possible FAILURE: check trpcage_md.out.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/trpcage 66c66 < NSTEP = 1 TIME(PS) = 50.002 TEMP(K) = 351.27 PRESS = 0. > NSTEP = 1 TIME(PS) = 50.002 TEMP(K) = 353.29 PRESS = 0. 67c67 < Etot = -219.1093 EKtot = 263.8622 EPtot = -482.9715 > Etot = -1004.3549 EKtot = 265.3787 EPtot = -1269.7337 70c70 < EELEC = -1282.7867 EGB = -434.1947 RESTRAINT = 0. > EELEC = -1282.7867 EGB = -1220.9568 RESTRAINT = 0. 72c72 < NSTEP = 2 TIME(PS) = 50.004 TEMP(K) = 361.20 PRESS = 0. > NSTEP = 2 TIME(PS) = 50.004 TEMP(K) = 368.22 PRESS = 0. 73c73 < Etot = -219.6009 EKtot = 271.3165 EPtot = -490.9175 > Etot = -1006.1566 EKtot = 276.5923 EPtot = -1282.7489 74c74 < BOND = 56.3048 ANGLE = 147.5455 DIHED = 151.8153 > BOND = 56.5903 ANGLE = 148.4912 DIHED = 151.7682 75c75 < 1-4 NB = 56.3806 1-4 EEL = 885.5111 VDWAALS = -72.3409 > 1-4 NB = 56.4599 1-4 EEL = 882.0908 VDWAALS = -72.1447 76c76 < EELEC = -1282.8907 EGB = -433.2432 RESTRAINT = 0. > EELEC = -1285.8429 EGB = -1220.1616 RESTRAINT = 0. 78c78 < NSTEP = 3 TIME(PS) = 50.006 TEMP(K) = 342.56 PRESS = 0. > NSTEP = 3 TIME(PS) = 50.006 TEMP(K) = 351.59 PRESS = 0. 79c79 < Etot = -218.4299 EKtot = 257.3161 EPtot = -475.7460 > Etot = -1008.9834 EKtot = 264.1022 EPtot = -1273.0856 80c80 < BOND = 62.5210 ANGLE = 156.5586 DIHED = 151.5438 > BOND = 63.7797 ANGLE = 162.1104 DIHED = 151.4506 81c81 < 1-4 NB = 56.4501 1-4 EEL = 885.0637 VDWAALS = -72.4533 > 1-4 NB = 56.6617 1-4 EEL = 875.4146 VDWAALS = -71.8167 82c82 < EELEC = -1283.3986 EGB = -432.0313 RESTRAINT = 0. > EELEC = -1291.2944 EGB = -1219.3914 RESTRAINT = 0. 84c84 < NSTEP = 4 TIME(PS) = 50.008 TEMP(K) = 317.73 PRESS = 0. > NSTEP = 4 TIME(PS) = 50.008 TEMP(K) = 325.66 PRESS = 0. 85c85 < Etot = -217.1552 EKtot = 238.6655 EPtot = -455.8207 > Etot = -1014.2562 EKtot = 244.6242 EPtot = -1258.8804 86c86 < BOND = 69.2004 ANGLE = 166.9339 DIHED = 153.2697 > BOND = 72.0101 ANGLE = 179.3543 DIHED = 153.1752 87c87 < 1-4 NB = 57.1613 1-4 EEL = 885.0897 VDWAALS = -72.0714 > 1-4 NB = 57.5013 1-4 EEL = 867.7641 VDWAALS = -70.9710 88c88 < EELEC = -1284.8710 EGB = -430.5332 RESTRAINT = 0. > EELEC = -1298.8122 EGB = -1218.9022 RESTRAINT = 0. 90c90 < NSTEP = 5 TIME(PS) = 50.010 TEMP(K) = 310.55 PRESS = 0. > NSTEP = 5 TIME(PS) = 50.010 TEMP(K) = 318.86 PRESS = 0. 91c91 < Etot = -217.2756 EKtot = 233.2697 EPtot = -450.5453 > Etot = -1023.7851 EKtot = 239.5115 EPtot = -1263.2967 92c92 < BOND = 70.0244 ANGLE = 166.4655 DIHED = 156.8407 > BOND = 74.8965 ANGLE = 182.7301 DIHED = 156.8185 93c93 < 1-4 NB = 57.9732 1-4 EEL = 885.4864 VDWAALS = -71.0600 > 1-4 NB = 58.3845 1-4 EEL = 860.8056 VDWAALS = -69.6916 94c94 < EELEC = -1287.4175 EGB = -428.8579 RESTRAINT = 0. > EELEC = -1308.0980 EGB = -1219.1423 RESTRAINT = 0. 96c96 < NSTEP = 6 TIME(PS) = 50.012 TEMP(K) = 319.15 PRESS = 0. > NSTEP = 6 TIME(PS) = 50.012 TEMP(K) = 331.09 PRESS = 0. 97c97 < Etot = -218.4047 EKtot = 239.7337 EPtot = -458.1385 > Etot = -1037.3058 EKtot = 248.7047 EPtot = -1286.0104 98c98 < BOND = 67.0959 ANGLE = 156.6628 DIHED = 161.0712 > BOND = 75.1052 ANGLE = 170.8309 DIHED = 161.2033 99c99 < 1-4 NB = 58.7854 1-4 EEL = 885.9351 VDWAALS = -69.9517 > 1-4 NB = 59.1620 1-4 EEL = 855.5873 VDWAALS = -68.4533 100c100 < EELEC = -1290.4706 EGB = -427.2665 RESTRAINT = 0. > EELEC = -1318.7704 EGB = -1220.6754 RESTRAINT = 0. 102c102 < NSTEP = 7 TIME(PS) = 50.014 TEMP(K) = 323.32 PRESS = 0. > NSTEP = 7 TIME(PS) = 50.014 TEMP(K) = 338.16 PRESS = 0. 103c103 < Etot = -218.9100 EKtot = 242.8618 EPtot = -461.7718 > Etot = -1052.7731 EKtot = 254.0117 EPtot = -1306.7848 104c104 < BOND = 67.0276 ANGLE = 149.6756 DIHED = 164.3611 > BOND = 79.7481 ANGLE = 158.9074 DIHED = 164.7219 105c105 < 1-4 NB = 59.7873 1-4 EEL = 886.1087 VDWAALS = -69.5483 > 1-4 NB = 60.0073 1-4 EEL = 852.0845 VDWAALS = -67.8489 106c106 < EELEC = -1293.0731 EGB = -426.1107 RESTRAINT = 0. > EELEC = -1330.3576 EGB = -1224.0475 RESTRAINT = 0. 108c108 < NSTEP = 8 TIME(PS) = 50.016 TEMP(K) = 313.92 PRESS = 0. > NSTEP = 8 TIME(PS) = 50.016 TEMP(K) = 327.23 PRESS = 0. 109c109 < Etot = -218.1306 EKtot = 235.8028 EPtot = -453.9334 > Etot = -1068.8848 EKtot = 245.8008 EPtot = -1314.6857 110c110 < BOND = 70.8441 ANGLE = 152.8524 DIHED = 165.4368 > BOND = 89.1117 ANGLE = 159.4055 DIHED = 166.0826 111c111 < 1-4 NB = 60.9760 1-4 EEL = 885.8954 VDWAALS = -69.8342 > 1-4 NB = 60.9117 1-4 EEL = 849.5150 VDWAALS = -67.7781 112c112 < EELEC = -1294.4636 EGB = -425.6403 RESTRAINT = 0. > EELEC = -1342.4089 EGB = -1229.5251 RESTRAINT = 0. 114c114 < NSTEP = 9 TIME(PS) = 50.018 TEMP(K) = 303.98 PRESS = 0. > NSTEP = 9 TIME(PS) = 50.018 TEMP(K) = 313.46 PRESS = 0. 115c115 < Etot = -217.2970 EKtot = 228.3390 EPtot = -445.6360 > Etot = -1086.3353 EKtot = 235.4549 EPtot = -1321.7902 116c116 < BOND = 72.7897 ANGLE = 160.3563 DIHED = 163.9466 > BOND = 95.5570 ANGLE = 167.9749 DIHED = 164.9018 117c117 < 1-4 NB = 62.1125 1-4 EEL = 885.4390 VDWAALS = -69.9942 > 1-4 NB = 61.6591 1-4 EEL = 847.0149 VDWAALS = -67.4250 118c118 < EELEC = -1294.4095 EGB = -425.8763 RESTRAINT = 0. > EELEC = -1354.5264 EGB = -1236.9464 RESTRAINT = 0. 120c120 < NSTEP = 10 TIME(PS) = 50.020 TEMP(K) = 307.11 PRESS = 0. > NSTEP = 10 TIME(PS) = 50.020 TEMP(K) = 315.67 PRESS = 0. 121c121 < Etot = -217.6220 EKtot = 230.6878 EPtot = -448.3098 > Etot = -1105.3490 EKtot = 237.1149 EPtot = -1342.4638 122c122 < BOND = 70.1632 ANGLE = 162.3446 DIHED = 160.7204 > BOND = 94.6695 ANGLE = 172.7634 DIHED = 161.9847 123c123 < 1-4 NB = 62.9387 1-4 EEL = 885.0086 VDWAALS = -69.6765 > 1-4 NB = 62.0985 1-4 EEL = 844.0211 VDWAALS = -66.3371 124c124 < EELEC = -1293.1331 EGB = -426.6758 RESTRAINT = 0. > EELEC = -1366.2525 EGB = -1245.4114 RESTRAINT = 0. 126c126 < NSTEP = 11 TIME(PS) = 50.022 TEMP(K) = 317.36 PRESS = 0. > NSTEP = 11 TIME(PS) = 50.022 TEMP(K) = 329.53 PRESS = 0. 127c127 < Etot = -218.3820 EKtot = 238.3862 EPtot = -456.7683 > Etot = -1123.6051 EKtot = 247.5321 EPtot = -1371.1371 128c128 < BOND = 68.4495 ANGLE = 157.4359 DIHED = 157.4049 > BOND = 91.5027 ANGLE = 171.1765 DIHED = 158.9878 129c129 < 1-4 NB = 63.2815 1-4 EEL = 884.8604 VDWAALS = -69.2850 > 1-4 NB = 62.1781 1-4 EEL = 840.3032 VDWAALS = -65.3088 130c130 < EELEC = -1291.1553 EGB = -427.7601 RESTRAINT = 0. > EELEC = -1377.0462 EGB = -1252.9304 RESTRAINT = 0. 132c132 < NSTEP = 12 TIME(PS) = 50.024 TEMP(K) = 321.21 PRESS = 0. > NSTEP = 12 TIME(PS) = 50.024 TEMP(K) = 337.72 PRESS = 0. 133c133 < Etot = -218.3143 EKtot = 241.2815 EPtot = -459.5959 > Etot = -1139.1469 EKtot = 253.6839 EPtot = -1392.8308 134c134 < BOND = 72.6304 ANGLE = 151.2050 DIHED = 155.5211 > BOND = 92.0521 ANGLE = 170.0370 DIHED = 157.4671 135c135 < 1-4 NB = 63.1154 1-4 EEL = 885.1861 VDWAALS = -69.2721 > 1-4 NB = 61.9640 1-4 EEL = 836.0081 VDWAALS = -65.4898 136c136 < EELEC = -1289.2379 EGB = -428.7438 RESTRAINT = 0. > EELEC = -1386.5462 EGB = -1258.3232 RESTRAINT = 0. 138c138 < NSTEP = 13 TIME(PS) = 50.026 TEMP(K) = 318.72 PRESS = 0. > NSTEP = 13 TIME(PS) = 50.026 TEMP(K) = 336.32 PRESS = 0. 139c139 < Etot = -217.7146 EKtot = 239.4129 EPtot = -457.1275 > Etot = -1153.1364 EKtot = 252.6332 EPtot = -1405.7695 140c140 < BOND = 78.3572 ANGLE = 147.1439 DIHED = 155.6504 > BOND = 93.7434 ANGLE = 173.1370 DIHED = 158.0365 141c141 < 1-4 NB = 62.7224 1-4 EEL = 886.1231 VDWAALS = -69.6698 > 1-4 NB = 61.7359 1-4 EEL = 831.8527 VDWAALS = -66.1100 142c142 < EELEC = -1288.2649 EGB = -429.1897 RESTRAINT = 0. > EELEC = -1394.7926 EGB = -1263.3726 RESTRAINT = 0. 144c144 < NSTEP = 14 TIME(PS) = 50.028 TEMP(K) = 319.23 PRESS = 0. > NSTEP = 14 TIME(PS) = 50.028 TEMP(K) = 335.50 PRESS = 0. 145c145 < Etot = -217.6735 EKtot = 239.7891 EPtot = -457.4626 > Etot = -1167.5094 EKtot = 252.0145 EPtot = -1419.5239 146c146 < BOND = 77.7590 ANGLE = 145.3355 DIHED = 157.2488 > BOND = 90.1930 ANGLE = 177.0940 DIHED = 160.1422 147c147 < 1-4 NB = 62.5190 1-4 EEL = 887.7444 VDWAALS = -70.3097 > 1-4 NB = 61.7640 1-4 EEL = 829.0907 VDWAALS = -66.4976 148c148 < EELEC = -1288.9082 EGB = -428.8514 RESTRAINT = 0. > EELEC = -1402.0754 EGB = -1269.2347 RESTRAINT = 0. 150c150 < NSTEP = 15 TIME(PS) = 50.030 TEMP(K) = 323.22 PRESS = 0. > NSTEP = 15 TIME(PS) = 50.030 TEMP(K) = 339.45 PRESS = 0. 151c151 < Etot = -218.1595 EKtot = 242.7880 EPtot = -460.9475 > Etot = -1182.1105 EKtot = 254.9772 EPtot = -1437.0878 152c152 < BOND = 71.0653 ANGLE = 146.3847 DIHED = 159.1299 > BOND = 82.1907 ANGLE = 178.3079 DIHED = 162.4925 153c153 < 1-4 NB = 62.5573 1-4 EEL = 889.9423 VDWAALS = -70.9988 > 1-4 NB = 61.9202 1-4 EEL = 828.8288 VDWAALS = -66.4628 154c154 < EELEC = -1291.1795 EGB = -427.8488 RESTRAINT = 0. > EELEC = -1408.7366 EGB = -1275.6286 RESTRAINT = 0. 156c156 < NSTEP = 16 TIME(PS) = 50.032 TEMP(K) = 322.59 PRESS = 0. > NSTEP = 16 TIME(PS) = 50.032 TEMP(K) = 341.17 PRESS = 0. 157c157 < Etot = -218.1980 EKtot = 242.3165 EPtot = -460.5146 > Etot = -1192.2968 EKtot = 256.2741 EPtot = -1448.5709 158c158 < BOND = 66.2284 ANGLE = 150.3313 DIHED = 160.3057 > BOND = 77.4623 ANGLE = 177.0183 DIHED = 163.9322 159c159 < 1-4 NB = 62.6238 1-4 EEL = 892.3681 VDWAALS = -71.4400 > 1-4 NB = 61.8807 1-4 EEL = 831.0808 VDWAALS = -65.9487 160c160 < EELEC = -1294.3363 EGB = -426.5956 RESTRAINT = 0. > EELEC = -1415.0301 EGB = -1278.9664 RESTRAINT = 0. 162c162 < NSTEP = 17 TIME(PS) = 50.034 TEMP(K) = 316.70 PRESS = 0. > NSTEP = 17 TIME(PS) = 50.034 TEMP(K) = 337.32 PRESS = 0. 163c163 < Etot = -217.6094 EKtot = 237.8920 EPtot = -455.5013 > Etot = -1203.1583 EKtot = 253.3815 EPtot = -1456.5398 164c164 < BOND = 67.6772 ANGLE = 153.4290 DIHED = 160.5302 > BOND = 79.8533 ANGLE = 174.2394 DIHED = 164.1162 165c165 < 1-4 NB = 62.5690 1-4 EEL = 894.5211 VDWAALS = -71.3802 > 1-4 NB = 61.5815 1-4 EEL = 834.5313 VDWAALS = -65.2011 166c166 < EELEC = -1297.2513 EGB = -425.5962 RESTRAINT = 0. > EELEC = -1421.1130 EGB = -1284.5474 RESTRAINT = 0. 168c168 < NSTEP = 18 TIME(PS) = 50.036 TEMP(K) = 315.08 PRESS = 0. > NSTEP = 18 TIME(PS) = 50.036 TEMP(K) = 335.26 PRESS = 0. 169c169 < Etot = -217.3240 EKtot = 236.6781 EPtot = -454.0020 > Etot = -1212.1443 EKtot = 251.8331 EPtot = -1463.9775 170c170 < BOND = 70.8008 ANGLE = 151.6109 DIHED = 160.2190 > BOND = 84.0398 ANGLE = 170.3792 DIHED = 163.4816 171c171 < 1-4 NB = 62.3195 1-4 EEL = 895.9743 VDWAALS = -70.7948 > 1-4 NB = 61.0842 1-4 EEL = 837.2717 VDWAALS = -64.1022 172c172 < EELEC = -1298.9394 EGB = -425.1923 RESTRAINT = 0. > EELEC = -1427.1494 EGB = -1288.9823 RESTRAINT = 0. 174c174 < NSTEP = 19 TIME(PS) = 50.038 TEMP(K) = 322.00 PRESS = 0. > NSTEP = 19 TIME(PS) = 50.038 TEMP(K) = 340.99 PRESS = 0. 175c175 < Etot = -217.8103 EKtot = 241.8710 EPtot = -459.6813 > Etot = -1222.8159 EKtot = 256.1391 EPtot = -1478.9550 176c176 < BOND = 69.3205 ANGLE = 146.8208 DIHED = 160.0041 > BOND = 83.0307 ANGLE = 168.0176 DIHED = 162.7351 177c177 < 1-4 NB = 61.9302 1-4 EEL = 896.5265 VDWAALS = -69.9068 > 1-4 NB = 60.4686 1-4 EEL = 837.7070 VDWAALS = -61.8937 178c178 < EELEC = -1298.8994 EGB = -425.4771 RESTRAINT = 0. > EELEC = -1433.2939 EGB = -1295.7264 RESTRAINT = 0. 180c180 < NSTEP = 20 TIME(PS) = 50.040 TEMP(K) = 328.52 PRESS = 0. > NSTEP = 20 TIME(PS) = 50.040 TEMP(K) = 349.13 PRESS = 0. 181c181 < Etot = -218.3814 EKtot = 246.7700 EPtot = -465.1514 > Etot = -1234.1581 EKtot = 262.2496 EPtot = -1496.4077 182c182 < BOND = 64.3848 ANGLE = 145.1483 DIHED = 160.2085 > BOND = 77.5836 ANGLE = 171.1430 DIHED = 162.2851 183c183 < 1-4 NB = 61.6679 1-4 EEL = 896.1871 VDWAALS = -69.1999 > 1-4 NB = 60.0076 1-4 EEL = 834.9299 VDWAALS = -58.4334 184c184 < EELEC = -1297.2382 EGB = -426.3098 RESTRAINT = 0. > EELEC = -1439.5570 EGB = -1304.3665 RESTRAINT = 0. 187c187 < NSTEP = 20 TIME(PS) = 50.040 TEMP(K) = 322.77 PRESS = 0. > NSTEP = 20 TIME(PS) = 50.040 TEMP(K) = 336.28 PRESS = 0. 188c188 < Etot = -218.0751 EKtot = 242.4520 EPtot = -460.5271 > Etot = -1111.9133 EKtot = 252.6007 EPtot = -1364.5140 189c189 < BOND = 68.4967 ANGLE = 153.3168 DIHED = 158.4208 > BOND = 80.5205 ANGLE = 169.2606 DIHED = 159.9485 190c190 < 1-4 NB = 60.7577 1-4 EEL = 888.2649 VDWAALS = -70.5680 > 1-4 NB = 60.2357 1-4 EEL = 848.1114 VDWAALS = -67.0044 191c191 < EELEC = -1291.1162 EGB = -428.0997 RESTRAINT = 0. > EELEC = -1364.2245 EGB = -1251.3619 RESTRAINT = 0. 194c194 < NSTEP = 20 TIME(PS) = 50.040 TEMP(K) = 13.67 PRESS = 0. > NSTEP = 20 TIME(PS) = 50.040 TEMP(K) = 12.83 PRESS = 0. 195c195 < Etot = 0.6340 EKtot = 10.2664 EPtot = 10.7901 > Etot = 79.0370 EKtot = 9.6345 EPtot = 79.5242 196c196 < BOND = 5.3806 ANGLE = 6.5246 DIHED = 3.9410 > BOND = 11.3765 ANGLE = 8.7607 DIHED = 4.5132 197c197 < 1-4 NB = 2.4029 1-4 EEL = 4.1764 VDWAALS = 1.0729 > 1-4 NB = 1.9149 1-4 EEL = 17.4338 VDWAALS = 3.3329 198c198 < EELEC = 5.0172 EGB = 2.5753 RESTRAINT = 0. > EELEC = 52.2228 EGB = 28.7918 RESTRAINT = 0. ### Maximum absolute error in matching lines = 1.02e+03 at line 181 field 3 ### Maximum relative error in matching lines = 1.24e+02 at line 195 field 3 --------------------------------------- possible FAILURE: check myoglobin_md.out.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/myoglobin 60c60 < NSTEP = 1 TIME(PS) = 1.502 TEMP(K) = 305.20 PRESS = 0. > NSTEP = 1 TIME(PS) = 1.502 TEMP(K) = 304.83 PRESS = 0. 61c61 < Etot = -1294.9940 EKtot = 1880.4186 EPtot = -3175.4126 > Etot = -8531.7267 EKtot = 1878.1580 EPtot = -10409.8847 64c64 < EELEC = -382.5872 EGB = -12741.0531 RESTRAINT = 0. > EELEC = -382.5872 EGB = -19975.5251 RESTRAINT = 0. 66c66 < NSTEP = 2 TIME(PS) = 1.504 TEMP(K) = 323.85 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.504 TEMP(K) = 324.63 PRESS = 0. 67c67 < Etot = -1303.3803 EKtot = 1995.3422 EPtot = -3298.7224 > Etot = -8565.8882 EKtot = 2000.1471 EPtot = -10566.0353 68c68 < BOND = 421.8234 ANGLE = 1362.9993 DIHED = 795.9318 > BOND = 424.1653 ANGLE = 1361.4186 DIHED = 795.8371 69c69 < 1-4 NB = 522.7646 1-4 EEL = 7886.8376 VDWAALS = -1158.5895 > 1-4 NB = 523.8018 1-4 EEL = 7868.4881 VDWAALS = -1157.8291 70c70 < EELEC = -391.3211 EGB = -12739.1686 RESTRAINT = 0. > EELEC = -407.2282 EGB = -19974.6890 RESTRAINT = 0. 72c72 < NSTEP = 3 TIME(PS) = 1.506 TEMP(K) = 319.59 PRESS = 0. > NSTEP = 3 TIME(PS) = 1.506 TEMP(K) = 323.87 PRESS = 0. 73c73 < Etot = -1300.2887 EKtot = 1969.0872 EPtot = -3269.3759 > Etot = -8604.7926 EKtot = 1995.4490 EPtot = -10600.2416 74c74 < BOND = 437.0008 ANGLE = 1388.0980 DIHED = 794.2315 > BOND = 444.8394 ANGLE = 1387.1138 DIHED = 794.3264 75c75 < 1-4 NB = 521.0911 1-4 EEL = 7888.8486 VDWAALS = -1163.3516 > 1-4 NB = 523.3835 1-4 EEL = 7836.4268 VDWAALS = -1162.9711 76c76 < EELEC = -395.6029 EGB = -12739.6915 RESTRAINT = 0. > EELEC = -443.2584 EGB = -19980.1018 RESTRAINT = 0. 78c78 < NSTEP = 4 TIME(PS) = 1.508 TEMP(K) = 298.87 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.508 TEMP(K) = 306.77 PRESS = 0. 79c79 < Etot = -1289.8977 EKtot = 1841.4074 EPtot = -3131.3051 > Etot = -8650.7010 EKtot = 1890.1208 EPtot = -10540.8218 80c80 < BOND = 472.7925 ANGLE = 1491.7619 DIHED = 795.8971 > BOND = 489.0808 ANGLE = 1504.1316 DIHED = 796.7767 81c81 < 1-4 NB = 522.2883 1-4 EEL = 7887.4243 VDWAALS = -1164.2728 > 1-4 NB = 525.8768 1-4 EEL = 7790.1396 VDWAALS = -1164.9642 82c82 < EELEC = -395.1476 EGB = -12742.0489 RESTRAINT = 0. > EELEC = -489.0281 EGB = -19992.8352 RESTRAINT = 0. 84c84 < NSTEP = 5 TIME(PS) = 1.510 TEMP(K) = 284.35 PRESS = 0. > NSTEP = 5 TIME(PS) = 1.510 TEMP(K) = 294.32 PRESS = 0. 85c85 < Etot = -1284.1832 EKtot = 1751.9319 EPtot = -3036.1151 > Etot = -8714.5868 EKtot = 1813.4073 EPtot = -10527.9941 86c86 < BOND = 488.3079 ANGLE = 1568.3661 DIHED = 799.7907 > BOND = 514.6534 ANGLE = 1610.7232 DIHED = 802.1967 87c87 < 1-4 NB = 523.4628 1-4 EEL = 7883.0272 VDWAALS = -1163.1563 > 1-4 NB = 528.6300 1-4 EEL = 7736.4669 VDWAALS = -1163.7449 88c88 < EELEC = -391.1204 EGB = -12744.7930 RESTRAINT = 0. > EELEC = -543.4903 EGB = -20013.4291 RESTRAINT = 0. 90c90 < NSTEP = 6 TIME(PS) = 1.512 TEMP(K) = 288.88 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.512 TEMP(K) = 299.69 PRESS = 0. 91c91 < Etot = -1288.7260 EKtot = 1779.8514 EPtot = -3068.5774 > Etot = -8802.0524 EKtot = 1846.5004 EPtot = -10648.5528 92c92 < BOND = 471.2261 ANGLE = 1551.4551 DIHED = 804.1887 > BOND = 508.3518 ANGLE = 1630.5739 DIHED = 808.8413 93c93 < 1-4 NB = 522.0114 1-4 EEL = 7876.7654 VDWAALS = -1162.3581 > 1-4 NB = 528.5895 1-4 EEL = 7682.5877 VDWAALS = -1159.7743 94c94 < EELEC = -385.0860 EGB = -12746.7801 RESTRAINT = 0. > EELEC = -605.7512 EGB = -20041.9714 RESTRAINT = 0. 96c96 < NSTEP = 7 TIME(PS) = 1.514 TEMP(K) = 302.89 PRESS = 0. > NSTEP = 7 TIME(PS) = 1.514 TEMP(K) = 314.87 PRESS = 0. 97c97 < Etot = -1297.1575 EKtot = 1866.2172 EPtot = -3163.3746 > Etot = -8906.7665 EKtot = 1939.9973 EPtot = -10846.7639 98c98 < BOND = 447.6017 ANGLE = 1479.3755 DIHED = 808.2920 > BOND = 497.2262 ANGLE = 1586.3446 DIHED = 815.8453 99c99 < 1-4 NB = 519.0791 1-4 EEL = 7870.3054 VDWAALS = -1161.8886 > 1-4 NB = 525.8342 1-4 EEL = 7633.8456 VDWAALS = -1153.0801 100c100 < EELEC = -378.3336 EGB = -12747.8061 RESTRAINT = 0. > EELEC = -674.5281 EGB = -20078.2516 RESTRAINT = 0. 102c102 < NSTEP = 8 TIME(PS) = 1.516 TEMP(K) = 308.26 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.516 TEMP(K) = 322.49 PRESS = 0. 103c103 < Etot = -1299.2281 EKtot = 1899.2544 EPtot = -3198.4825 > Etot = -9018.1078 EKtot = 1986.9665 EPtot = -11005.0744 104c104 < BOND = 441.6097 ANGLE = 1444.0356 DIHED = 812.0633 > BOND = 506.8252 ANGLE = 1563.2451 DIHED = 823.2314 105c105 < 1-4 NB = 517.6910 1-4 EEL = 7865.5808 VDWAALS = -1159.1406 > 1-4 NB = 523.0805 1-4 EEL = 7592.4552 VDWAALS = -1143.3823 106c106 < EELEC = -372.0364 EGB = -12748.2858 RESTRAINT = 0. > EELEC = -748.0137 EGB = -20122.5157 RESTRAINT = 0. 108c108 < NSTEP = 9 TIME(PS) = 1.518 TEMP(K) = 300.22 PRESS = 0. > NSTEP = 9 TIME(PS) = 1.518 TEMP(K) = 316.95 PRESS = 0. 109c109 < Etot = -1293.5881 EKtot = 1849.7412 EPtot = -3143.3294 > Etot = -9130.3134 EKtot = 1952.8234 EPtot = -11083.1369 110c110 < BOND = 444.7508 ANGLE = 1484.2867 DIHED = 815.2369 > BOND = 527.0726 ANGLE = 1607.8739 DIHED = 830.7523 111c111 < 1-4 NB = 518.6797 1-4 EEL = 7864.1563 VDWAALS = -1154.5886 > 1-4 NB = 521.9549 1-4 EEL = 7557.6901 VDWAALS = -1131.5731 112c112 < EELEC = -367.4303 EGB = -12748.4208 RESTRAINT = 0. > EELEC = -824.1312 EGB = -20172.7765 RESTRAINT = 0. 114c114 < NSTEP = 10 TIME(PS) = 1.520 TEMP(K) = 290.58 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.520 TEMP(K) = 309.01 PRESS = 0. 115c115 < Etot = -1288.3395 EKtot = 1790.3252 EPtot = -3078.6647 > Etot = -9245.8766 EKtot = 1903.8712 EPtot = -11149.7477 116c116 < BOND = 436.4759 ANGLE = 1545.5658 DIHED = 817.1030 > BOND = 532.4639 ANGLE = 1677.5250 DIHED = 837.3570 117c117 < 1-4 NB = 520.5824 1-4 EEL = 7866.5403 VDWAALS = -1151.4077 > 1-4 NB = 522.1516 1-4 EEL = 7527.0612 VDWAALS = -1119.5428 118c118 < EELEC = -365.5093 EGB = -12748.0150 RESTRAINT = 0. > EELEC = -901.0931 EGB = -20225.6705 RESTRAINT = 0. 120c120 < NSTEP = 11 TIME(PS) = 1.522 TEMP(K) = 290.79 PRESS = 0. > NSTEP = 11 TIME(PS) = 1.522 TEMP(K) = 310.30 PRESS = 0. 121c121 < Etot = -1289.4382 EKtot = 1791.6685 EPtot = -3081.1067 > Etot = -9367.9821 EKtot = 1911.8226 EPtot = -11279.8047 122c122 < BOND = 420.7545 ANGLE = 1550.6804 DIHED = 817.3213 > BOND = 522.4533 ANGLE = 1699.6391 DIHED = 842.0409 123c123 < 1-4 NB = 522.4396 1-4 EEL = 7871.8399 VDWAALS = -1150.6555 > 1-4 NB = 523.7085 1-4 EEL = 7497.5168 VDWAALS = -1108.3769 124c124 < EELEC = -366.4691 EGB = -12747.0178 RESTRAINT = 0. > EELEC = -978.3422 EGB = -20278.4441 RESTRAINT = 0. 126c126 < NSTEP = 12 TIME(PS) = 1.524 TEMP(K) = 298.90 PRESS = 0. > NSTEP = 12 TIME(PS) = 1.524 TEMP(K) = 319.48 PRESS = 0. 127c127 < Etot = -1294.1953 EKtot = 1841.5945 EPtot = -3135.7898 > Etot = ************** EKtot = 1968.3958 EPtot = ************** 128c128 < BOND = 421.1059 ANGLE = 1491.1173 DIHED = 816.4945 > BOND = 520.0377 ANGLE = 1663.3703 DIHED = 844.8308 129c129 < 1-4 NB = 524.4973 1-4 EEL = 7878.0859 VDWAALS = -1151.7444 > 1-4 NB = 527.9744 1-4 EEL = 7466.6172 VDWAALS = -1098.9767 130c130 < EELEC = -369.4661 EGB = -12745.8802 RESTRAINT = 0. > EELEC = -1056.6223 EGB = ************** RESTRAINT = 0. 132c132 < NSTEP = 13 TIME(PS) = 1.526 TEMP(K) = 304.60 PRESS = 0. > NSTEP = 13 TIME(PS) = 1.526 TEMP(K) = 326.12 PRESS = 0. 133c133 < Etot = -1296.6919 EKtot = 1876.7198 EPtot = -3173.4118 > Etot = -11321.8389 EKtot = 2009.3160 EPtot = -13331.1549 134c134 < BOND = 442.6971 ANGLE = 1430.8025 DIHED = 815.9238 > BOND = 533.5804 ANGLE = 1628.8004 DIHED = 846.9049 135c135 < 1-4 NB = 526.7655 1-4 EEL = 7883.0735 VDWAALS = -1154.5420 > 1-4 NB = 536.5170 1-4 EEL = 7434.4288 VDWAALS = -432.3439 136c136 < EELEC = -373.1290 EGB = -12745.0032 RESTRAINT = 0. > EELEC = 5686.4180 EGB = -29565.4605 RESTRAINT = 0. 138c138 < NSTEP = 14 TIME(PS) = 1.528 TEMP(K) = 301.98 PRESS = 0. > NSTEP = 14 TIME(PS) = 1.528 TEMP(K) = 324.41 PRESS = 0. 139c139 < Etot = -1295.2667 EKtot = 1860.5808 EPtot = -3155.8474 > Etot = -6736.9037 EKtot = 1998.7641 EPtot = -8735.6678 140c140 < BOND = 461.3697 ANGLE = 1430.8056 DIHED = 816.9117 > BOND = 543.2590 ANGLE = 1652.0090 DIHED = 849.9917 141c141 < 1-4 NB = 528.8884 1-4 EEL = 7885.2472 VDWAALS = -1158.5498 > 1-4 NB = 543.8074 1-4 EEL = 7406.5534 VDWAALS = -436.1578 142c142 < EELEC = -376.4556 EGB = -12744.0647 RESTRAINT = 0. > EELEC = 2345.7975 EGB = -21640.9281 RESTRAINT = 0. 144c144 < NSTEP = 15 TIME(PS) = 1.530 TEMP(K) = 293.88 PRESS = 0. > NSTEP = 15 TIME(PS) = 1.530 TEMP(K) = 317.30 PRESS = 0. 145c145 < Etot = -1292.2519 EKtot = 1810.6582 EPtot = -3102.9101 > Etot = -11349.7756 EKtot = 1954.9682 EPtot = -13304.7438 146c146 < BOND = 456.8857 ANGLE = 1488.9994 DIHED = 819.7230 > BOND = 532.5381 ANGLE = 1728.1900 DIHED = 855.1683 147c147 < 1-4 NB = 530.7768 1-4 EEL = 7884.1241 VDWAALS = -1162.0381 > 1-4 NB = 539.8396 1-4 EEL = 7388.7043 VDWAALS = -438.6833 148c148 < EELEC = -379.0989 EGB = -12742.2821 RESTRAINT = 0. > EELEC = 2096.6915 EGB = -26007.1923 RESTRAINT = 0. 150c150 < NSTEP = 16 TIME(PS) = 1.532 TEMP(K) = 287.22 PRESS = 0. > NSTEP = 16 TIME(PS) = 1.532 TEMP(K) = 309.94 PRESS = 0. 151c151 < Etot = -1290.1329 EKtot = 1769.6270 EPtot = -3059.7599 > Etot = -6735.9683 EKtot = 1909.6383 EPtot = -8645.6066 152c152 < BOND = 440.0987 ANGLE = 1549.0614 DIHED = 823.0906 > BOND = 514.8453 ANGLE = 1806.1158 DIHED = 862.1266 153c153 < 1-4 NB = 531.8480 1-4 EEL = 7880.2968 VDWAALS = -1163.9783 > 1-4 NB = 537.2766 1-4 EEL = 7374.9179 VDWAALS = -440.5512 154c154 < EELEC = -381.1539 EGB = -12739.0232 RESTRAINT = 0. > EELEC = 1855.7104 EGB = -21156.0481 RESTRAINT = 0. 156c156 < NSTEP = 17 TIME(PS) = 1.534 TEMP(K) = 286.95 PRESS = 0. > NSTEP = 17 TIME(PS) = 1.534 TEMP(K) = 307.73 PRESS = 0. 157c157 < Etot = -1290.2829 EKtot = 1767.9888 EPtot = -3058.2717 > Etot = -11347.9711 EKtot = 1895.9859 EPtot = -13243.9570 158c158 < BOND = 435.5645 ANGLE = 1557.3394 DIHED = 825.2277 > BOND = 515.4264 ANGLE = 1830.6930 DIHED = 869.4122 159c159 < 1-4 NB = 530.9485 1-4 EEL = 7875.1852 VDWAALS = -1165.3212 > 1-4 NB = 534.5219 1-4 EEL = 7362.2091 VDWAALS = -441.9836 160c160 < EELEC = -382.8793 EGB = -12734.3366 RESTRAINT = 0. > EELEC = 1857.8756 EGB = -25772.1117 RESTRAINT = 0. 162c162 < NSTEP = 18 TIME(PS) = 1.536 TEMP(K) = 292.56 PRESS = 0. > NSTEP = 18 TIME(PS) = 1.536 TEMP(K) = 311.81 PRESS = 0. 163c163 < Etot = -1292.8075 EKtot = 1802.5522 EPtot = -3095.3598 > Etot = -6738.6231 EKtot = 1921.1405 EPtot = -8659.7636 164c164 < BOND = 447.7693 ANGLE = 1513.3277 DIHED = 825.7645 > BOND = 536.3457 ANGLE = 1796.5440 DIHED = 876.1425 165c165 < 1-4 NB = 527.8754 1-4 EEL = 7870.5611 VDWAALS = -1167.0189 > 1-4 NB = 528.6884 1-4 EEL = 7349.7880 VDWAALS = -443.0617 166c166 < EELEC = -384.5056 EGB = -12729.1333 RESTRAINT = 0. > EELEC = 1686.3134 EGB = -20990.5240 RESTRAINT = 0. 168c168 < NSTEP = 19 TIME(PS) = 1.538 TEMP(K) = 298.38 PRESS = 0. > NSTEP = 19 TIME(PS) = 1.538 TEMP(K) = 317.65 PRESS = 0. 169c169 < Etot = -1295.5199 EKtot = 1838.3927 EPtot = -3133.9126 > Etot = -11355.5870 EKtot = 1957.1075 EPtot = -13312.6945 170c170 < BOND = 458.6438 ANGLE = 1467.3103 DIHED = 826.3377 > BOND = 555.0639 ANGLE = 1753.8485 DIHED = 882.9379 171c171 < 1-4 NB = 524.6772 1-4 EEL = 7867.8775 VDWAALS = -1168.2356 > 1-4 NB = 521.9248 1-4 EEL = 7335.9746 VDWAALS = -442.9674 172c172 < EELEC = -386.0827 EGB = -12724.4406 RESTRAINT = 0. > EELEC = 1630.9908 EGB = -25550.4676 RESTRAINT = 0. 174c174 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 298.46 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 319.00 PRESS = 0. 175c175 < Etot = -1295.7731 EKtot = 1838.8797 EPtot = -3134.6529 > Etot = -6742.9632 EKtot = 1965.4726 EPtot = -8708.4358 176c176 < BOND = 455.9620 ANGLE = 1465.7063 DIHED = 828.6543 > BOND = 556.9032 ANGLE = 1754.9898 DIHED = 890.7023 177c177 < 1-4 NB = 523.8816 1-4 EEL = 7867.6477 VDWAALS = -1168.1115 > 1-4 NB = 518.3205 1-4 EEL = 7318.6174 VDWAALS = -441.5419 178c178 < EELEC = -387.2517 EGB = -12721.1416 RESTRAINT = 0. > EELEC = 1601.7175 EGB = -20908.1446 RESTRAINT = 0. 181c181 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 298.82 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 314.06 PRESS = 0. 182c182 < Etot = -1293.6072 EKtot = 1841.1120 EPtot = -3134.7191 > Etot = ************** EKtot = 1935.0026 EPtot = ************** 183c183 < BOND = 447.4356 ANGLE = 1485.2840 DIHED = 812.9167 > BOND = 511.0702 ANGLE = 1634.3868 DIHED = 836.2786 184c184 < 1-4 NB = 524.3600 1-4 EEL = 7876.7535 VDWAALS = -1160.0162 > 1-4 NB = 528.1417 1-4 EEL = 7552.1067 VDWAALS = -861.6441 185c185 < EELEC = -380.5333 EGB = -12740.9193 RESTRAINT = 0. > EELEC = 535.3720 EGB = ************** RESTRAINT = 0. 188c188 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 10.07 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 8.53 PRESS = 0. 189c189 < Etot = 4.4965 EKtot = 62.0709 EPtot = 66.2350 > Etot = ************** EKtot = 52.5296 EPtot = ************** 190c190 < BOND = 17.1920 ANGLE = 56.4635 DIHED = 10.8056 > BOND = 34.9907 ANGLE = 129.7172 DIHED = 30.0443 191c191 < 1-4 NB = 4.0792 1-4 EEL = 7.9433 VDWAALS = 5.6892 > 1-4 NB = 6.6528 1-4 EEL = 185.4474 VDWAALS = 344.9754 192c192 < EELEC = 9.1102 EGB = 7.7534 RESTRAINT = 0. > EELEC = 1694.9313 EGB = ************** RESTRAINT = 0. ### Maximum absolute error in matching lines = 1.01e+04 at line 169 field 3 ### Maximum relative error in matching lines = 1.85e+02 at line 192 field 3 --------------------------------------- possible FAILURE: check myoglobin_md_igb7.out.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/myoglobin 61c61 < NSTEP = 1 TIME(PS) = 1.502 TEMP(K) = 305.34 PRESS = 0. > NSTEP = 1 TIME(PS) = 1.502 TEMP(K) = 304.94 PRESS = 0. 62c62 < Etot = -819.2397 EKtot = 1881.3075 EPtot = -2700.5472 > Etot = -10582.9857 EKtot = 1878.8518 EPtot = -12461.8375 65c65 < EELEC = -382.5872 EGB = -12266.1876 RESTRAINT = 0. > EELEC = -382.5872 EGB = -22027.4779 RESTRAINT = 0. 67c67 < NSTEP = 2 TIME(PS) = 1.504 TEMP(K) = 324.93 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.504 TEMP(K) = 325.14 PRESS = 0. 68c68 < Etot = -827.9209 EKtot = 2001.9659 EPtot = -2829.8867 > Etot = -10611.8310 EKtot = 2003.2999 EPtot = -12615.1309 69c69 < BOND = 422.7090 ANGLE = 1363.7046 DIHED = 796.3460 > BOND = 424.2502 ANGLE = 1361.6125 DIHED = 795.8761 70c70 < 1-4 NB = 522.7309 1-4 EEL = 7882.9502 VDWAALS = -1158.8738 > 1-4 NB = 523.9032 1-4 EEL = 7867.6904 VDWAALS = -1157.9414 71c71 < EELEC = -393.2813 EGB = -12266.1721 RESTRAINT = 0. > EELEC = -408.8150 EGB = -22021.7068 RESTRAINT = 0. 73c73 < NSTEP = 3 TIME(PS) = 1.506 TEMP(K) = 321.71 PRESS = 0. > NSTEP = 3 TIME(PS) = 1.506 TEMP(K) = 324.70 PRESS = 0. 74c74 < Etot = -825.1755 EKtot = 1982.1181 EPtot = -2807.2936 > Etot = -10641.7081 EKtot = 2000.5414 EPtot = -12642.2495 75c75 < BOND = 439.6249 ANGLE = 1392.6436 DIHED = 795.4684 > BOND = 445.4181 ANGLE = 1388.6232 DIHED = 794.5410 76c76 < 1-4 NB = 521.0423 1-4 EEL = 7877.9520 VDWAALS = -1164.0700 > 1-4 NB = 523.6905 1-4 EEL = 7834.1959 VDWAALS = -1163.2825 77c77 < EELEC = -400.8319 EGB = -12269.1229 RESTRAINT = 0. > EELEC = -447.5599 EGB = -22017.8758 RESTRAINT = 0. 79c79 < NSTEP = 4 TIME(PS) = 1.508 TEMP(K) = 301.34 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.508 TEMP(K) = 307.57 PRESS = 0. 80c80 < Etot = -814.8118 EKtot = 1856.6481 EPtot = -2671.4599 > Etot = -10674.8819 EKtot = 1895.0349 EPtot = -12569.9168 81c81 < BOND = 477.9667 ANGLE = 1505.4473 DIHED = 798.3709 > BOND = 490.6456 ANGLE = 1508.5322 DIHED = 797.4101 82c82 < 1-4 NB = 522.3138 1-4 EEL = 7867.6872 VDWAALS = -1165.4283 > 1-4 NB = 526.4847 1-4 EEL = 7786.1286 VDWAALS = -1165.5356 83c83 < EELEC = -404.2340 EGB = -12273.5835 RESTRAINT = 0. > EELEC = -496.5347 EGB = -22017.0478 RESTRAINT = 0. 85c85 < NSTEP = 5 TIME(PS) = 1.510 TEMP(K) = 286.43 PRESS = 0. > NSTEP = 5 TIME(PS) = 1.510 TEMP(K) = 294.87 PRESS = 0. 86c86 < Etot = -808.7370 EKtot = 1764.7594 EPtot = -2573.4964 > Etot = -10722.8702 EKtot = 1816.7809 EPtot = -12539.6511 87c87 < BOND = 496.5916 ANGLE = 1594.7609 DIHED = 803.8983 > BOND = 517.2603 ANGLE = 1618.3676 DIHED = 803.5470 88c88 < 1-4 NB = 523.6824 1-4 EEL = 7854.1284 VDWAALS = -1164.6376 > 1-4 NB = 529.6161 1-4 EEL = 7730.7382 VDWAALS = -1164.6298 89c89 < EELEC = -404.1744 EGB = -12277.7460 RESTRAINT = 0. > EELEC = -554.1888 EGB = -22020.3617 RESTRAINT = 0. 91c91 < NSTEP = 6 TIME(PS) = 1.512 TEMP(K) = 290.54 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.512 TEMP(K) = 300.15 PRESS = 0. 92c92 < Etot = -812.9937 EKtot = 1790.0711 EPtot = -2603.0647 > Etot = -10792.1338 EKtot = 1849.2802 EPtot = -12641.4140 93c93 < BOND = 482.5042 ANGLE = 1588.5372 DIHED = 810.3138 > BOND = 511.4962 ANGLE = 1639.5777 DIHED = 811.1786 94c94 < 1-4 NB = 522.5183 1-4 EEL = 7839.6961 VDWAALS = -1163.9480 > 1-4 NB = 529.9865 1-4 EEL = 7675.5505 VDWAALS = -1161.0157 95c95 < EELEC = -401.9651 EGB = -12280.7214 RESTRAINT = 0. > EELEC = -619.2995 EGB = -22028.8882 RESTRAINT = 0. 97c97 < NSTEP = 7 TIME(PS) = 1.514 TEMP(K) = 304.74 PRESS = 0. > NSTEP = 7 TIME(PS) = 1.514 TEMP(K) = 315.55 PRESS = 0. 98c98 < Etot = -821.5189 EKtot = 1877.6149 EPtot = -2699.1338 > Etot = -10876.9293 EKtot = 1944.1713 EPtot = -12821.1007 99c99 < BOND = 460.9364 ANGLE = 1520.5563 DIHED = 816.8635 > BOND = 500.3392 ANGLE = 1593.9651 DIHED = 819.3287 100c100 < 1-4 NB = 519.8283 1-4 EEL = 7826.8759 VDWAALS = -1163.3655 > 1-4 NB = 527.6068 1-4 EEL = 7626.0218 VDWAALS = -1154.7152 101c101 < EELEC = -398.6995 EGB = -12282.1292 RESTRAINT = 0. > EELEC = -690.4231 EGB = -22043.2240 RESTRAINT = 0. 103c103 < NSTEP = 8 TIME(PS) = 1.516 TEMP(K) = 310.80 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.516 TEMP(K) = 323.47 PRESS = 0. 104c104 < Etot = -823.8382 EKtot = 1914.9496 EPtot = -2738.7877 > Etot = -10965.7642 EKtot = 1993.0002 EPtot = -12958.7645 105c105 < BOND = 455.5794 ANGLE = 1483.1723 DIHED = 823.5662 > BOND = 509.7774 ANGLE = 1568.3202 DIHED = 827.8703 106c106 < 1-4 NB = 518.4427 1-4 EEL = 7817.8583 VDWAALS = -1160.4012 > 1-4 NB = 525.1639 1-4 EEL = 7584.2559 VDWAALS = -1145.4871 107c107 < EELEC = -395.3811 EGB = -12281.6245 RESTRAINT = 0. > EELEC = -765.7327 EGB = -22062.9325 RESTRAINT = 0. 109c109 < NSTEP = 9 TIME(PS) = 1.518 TEMP(K) = 303.45 PRESS = 0. > NSTEP = 9 TIME(PS) = 1.518 TEMP(K) = 318.00 PRESS = 0. 110c110 < Etot = -818.3176 EKtot = 1869.6169 EPtot = -2687.9344 > Etot = -11053.9254 EKtot = 1959.3109 EPtot = -13013.2363 111c111 < BOND = 457.7830 ANGLE = 1519.0067 DIHED = 830.0973 > BOND = 529.9554 ANGLE = 1611.4271 DIHED = 836.3963 112c112 < 1-4 NB = 519.0970 1-4 EEL = 7814.0418 VDWAALS = -1155.6423 > 1-4 NB = 524.3056 1-4 EEL = 7549.3663 VDWAALS = -1134.2841 113c113 < EELEC = -393.2649 EGB = -12279.0531 RESTRAINT = 0. > EELEC = -843.3303 EGB = -22087.0728 RESTRAINT = 0. 115c115 < NSTEP = 10 TIME(PS) = 1.520 TEMP(K) = 294.17 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.520 TEMP(K) = 309.95 PRESS = 0. 116c116 < Etot = -813.0428 EKtot = 1812.4645 EPtot = -2625.5073 > Etot = -11143.6602 EKtot = 1909.6648 EPtot = -13053.3250 117c117 < BOND = 447.0891 ANGLE = 1576.6419 DIHED = 835.4528 > BOND = 534.9200 ANGLE = 1681.1677 DIHED = 843.6776 118c118 < 1-4 NB = 520.3865 1-4 EEL = 7815.5325 VDWAALS = -1152.3478 > 1-4 NB = 524.7528 1-4 EEL = 7518.7305 VDWAALS = -1122.8148 119c119 < EELEC = -393.5616 EGB = -12274.7006 RESTRAINT = 0. > EELEC = -921.7230 EGB = -22112.0358 RESTRAINT = 0. 121c121 < NSTEP = 11 TIME(PS) = 1.522 TEMP(K) = 294.44 PRESS = 0. > NSTEP = 11 TIME(PS) = 1.522 TEMP(K) = 311.24 PRESS = 0. 122c122 < Etot = -814.1068 EKtot = 1814.1336 EPtot = -2628.2404 > Etot = -11237.9976 EKtot = 1917.6308 EPtot = -13155.6284 123c123 < BOND = 428.0616 ANGLE = 1580.2851 DIHED = 838.8299 > BOND = 523.5999 ANGLE = 1704.0176 DIHED = 848.5669 124c124 < 1-4 NB = 521.4158 1-4 EEL = 7820.9967 VDWAALS = -1151.5734 > 1-4 NB = 526.5245 1-4 EEL = 7489.2108 VDWAALS = -1111.8400 125c125 < EELEC = -396.7474 EGB = -12269.5087 RESTRAINT = 0. > EELEC = -1000.2377 EGB = -22135.4705 RESTRAINT = 0. 127c127 < NSTEP = 12 TIME(PS) = 1.524 TEMP(K) = 302.38 PRESS = 0. > NSTEP = 12 TIME(PS) = 1.524 TEMP(K) = 320.69 PRESS = 0. 128c128 < Etot = -818.7344 EKtot = 1863.0665 EPtot = -2681.8009 > Etot = -11337.1599 EKtot = 1975.8686 EPtot = -13313.0285 129c129 < BOND = 425.3211 ANGLE = 1521.4661 DIHED = 840.4454 > BOND = 519.3263 ANGLE = 1668.3240 DIHED = 851.0938 130c130 < 1-4 NB = 522.4190 1-4 EEL = 7828.1446 VDWAALS = -1152.6957 > 1-4 NB = 530.8944 1-4 EEL = 7458.2647 VDWAALS = -1102.3398 131c131 < EELEC = -402.1163 EGB = -12264.7851 RESTRAINT = 0. > EELEC = -1079.0278 EGB = -22159.5641 RESTRAINT = 0. 133c133 < NSTEP = 13 TIME(PS) = 1.526 TEMP(K) = 307.93 PRESS = 0. > NSTEP = 13 TIME(PS) = 1.526 TEMP(K) = 327.65 PRESS = 0. 134c134 < Etot = -821.1645 EKtot = 1897.2472 EPtot = -2718.4116 > Etot = -11437.3404 EKtot = 2018.7501 EPtot = -13456.0905 135c135 < BOND = 445.1036 ANGLE = 1462.8197 DIHED = 841.4285 > BOND = 531.5843 ANGLE = 1634.4777 DIHED = 852.5837 136c136 < 1-4 NB = 523.3737 1-4 EEL = 7834.6451 VDWAALS = -1155.5724 > 1-4 NB = 539.7233 1-4 EEL = 7425.7047 VDWAALS = -1095.1102 137c137 < EELEC = -408.2393 EGB = -12261.9705 RESTRAINT = 0. > EELEC = -1159.0395 EGB = -22186.0146 RESTRAINT = 0. 139c139 < NSTEP = 14 TIME(PS) = 1.528 TEMP(K) = 305.37 PRESS = 0. > NSTEP = 14 TIME(PS) = 1.528 TEMP(K) = 325.96 PRESS = 0. 140c140 < Etot = -819.7276 EKtot = 1881.4710 EPtot = -2701.1986 > Etot = -11533.3370 EKtot = 2008.3453 EPtot = -13541.6823 141c141 < BOND = 463.8483 ANGLE = 1463.8892 DIHED = 843.0849 > BOND = 541.2850 ANGLE = 1659.2253 DIHED = 854.9327 142c142 < 1-4 NB = 523.9233 1-4 EEL = 7838.9364 VDWAALS = -1159.6448 > 1-4 NB = 549.0933 1-4 EEL = 7396.9380 VDWAALS = -1088.7002 143c143 < EELEC = -413.8987 EGB = -12261.3372 RESTRAINT = 0. > EELEC = -1241.7523 EGB = -22212.7043 RESTRAINT = 0. 145c145 < NSTEP = 15 TIME(PS) = 1.530 TEMP(K) = 297.51 PRESS = 0. > NSTEP = 15 TIME(PS) = 1.530 TEMP(K) = 318.97 PRESS = 0. 146c146 < Etot = -816.8204 EKtot = 1833.0551 EPtot = -2649.8756 > Etot = -11629.3114 EKtot = 1965.2693 EPtot = -13594.5808 147c147 < BOND = 461.2298 ANGLE = 1522.3490 DIHED = 845.7353 > BOND = 531.3590 ANGLE = 1736.6822 DIHED = 859.2839 148c148 < 1-4 NB = 524.0822 1-4 EEL = 7840.5052 VDWAALS = -1163.0705 > 1-4 NB = 544.9523 1-4 EEL = 7379.4372 VDWAALS = -1080.9221 149c149 < EELEC = -418.5226 EGB = -12262.1839 RESTRAINT = 0. > EELEC = -1328.2625 EGB = -22237.1108 RESTRAINT = 0. 151c151 < NSTEP = 16 TIME(PS) = 1.532 TEMP(K) = 291.10 PRESS = 0. > NSTEP = 16 TIME(PS) = 1.532 TEMP(K) = 311.77 PRESS = 0. 152c152 < Etot = -814.6842 EKtot = 1793.5533 EPtot = -2608.2375 > Etot = -11723.2340 EKtot = 1920.8929 EPtot = -13644.1269 153c153 < BOND = 447.2996 ANGLE = 1582.8445 DIHED = 848.2037 > BOND = 514.0285 ANGLE = 1815.8608 DIHED = 865.4558 154c154 < 1-4 NB = 523.5252 1-4 EEL = 7839.7321 VDWAALS = -1164.7188 > 1-4 NB = 542.4145 1-4 EEL = 7366.4980 VDWAALS = -1073.0273 155c155 < EELEC = -422.0700 EGB = -12263.0539 RESTRAINT = 0. > EELEC = -1418.0806 EGB = -22257.2766 RESTRAINT = 0. 157c157 < NSTEP = 17 TIME(PS) = 1.534 TEMP(K) = 291.08 PRESS = 0. > NSTEP = 17 TIME(PS) = 1.534 TEMP(K) = 309.74 PRESS = 0. 158c158 < Etot = -814.7731 EKtot = 1793.4438 EPtot = -2608.2169 > Etot = -11814.2915 EKtot = 1908.4134 EPtot = -13722.7049 159c159 < BOND = 445.6451 ANGLE = 1591.7292 DIHED = 848.8425 > BOND = 514.1994 ANGLE = 1841.6110 DIHED = 872.1166 160c160 < 1-4 NB = 521.2299 1-4 EEL = 7837.5516 VDWAALS = -1165.5174 > 1-4 NB = 539.6703 1-4 EEL = 7354.7534 VDWAALS = -1061.5946 161c161 < EELEC = -424.7840 EGB = -12262.9136 RESTRAINT = 0. > EELEC = -1511.0544 EGB = -22272.4066 RESTRAINT = 0. 163c163 < NSTEP = 18 TIME(PS) = 1.536 TEMP(K) = 297.06 PRESS = 0. > NSTEP = 18 TIME(PS) = 1.536 TEMP(K) = 313.94 PRESS = 0. 164c164 < Etot = -817.3070 EKtot = 1830.2715 EPtot = -2647.5785 > Etot = -11906.6508 EKtot = 1934.2676 EPtot = -13840.9184 165c165 < BOND = 460.4734 ANGLE = 1547.4609 DIHED = 847.4378 > BOND = 534.9523 ANGLE = 1808.2853 DIHED = 878.4162 166c166 < 1-4 NB = 516.9872 1-4 EEL = 7835.0948 VDWAALS = -1166.5314 > 1-4 NB = 533.6775 1-4 EEL = 7343.3017 VDWAALS = -1045.6667 167c167 < EELEC = -426.9797 EGB = -12261.5214 RESTRAINT = 0. > EELEC = -1607.2275 EGB = -22286.6571 RESTRAINT = 0. 169c169 < NSTEP = 19 TIME(PS) = 1.538 TEMP(K) = 303.31 PRESS = 0. > NSTEP = 19 TIME(PS) = 1.538 TEMP(K) = 319.71 PRESS = 0. 170c170 < Etot = -820.1405 EKtot = 1868.8000 EPtot = -2688.9405 > Etot = -12000.4324 EKtot = 1969.8378 EPtot = -13970.2703 171c171 < BOND = 474.1812 ANGLE = 1500.5572 DIHED = 845.7189 > BOND = 554.7071 ANGLE = 1765.7532 DIHED = 884.9315 172c172 < 1-4 NB = 512.8292 1-4 EEL = 7833.2661 VDWAALS = -1167.2005 > 1-4 NB = 526.7111 1-4 EEL = 7330.4163 VDWAALS = -1025.0258 173c173 < EELEC = -428.8647 EGB = -12259.4279 RESTRAINT = 0. > EELEC = -1706.7775 EGB = -22300.9862 RESTRAINT = 0. 175c175 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 303.66 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 321.06 PRESS = 0. 176c176 < Etot = -820.4753 EKtot = 1870.9064 EPtot = -2691.3817 > Etot = -12093.5042 EKtot = 1978.1670 EPtot = -14071.6712 177c177 < BOND = 474.7742 ANGLE = 1499.3323 DIHED = 845.5093 > BOND = 558.1612 ANGLE = 1765.7369 DIHED = 892.5597 178c178 < 1-4 NB = 511.2024 1-4 EEL = 7832.3409 VDWAALS = -1166.8937 > 1-4 NB = 522.8149 1-4 EEL = 7313.9830 VDWAALS = -998.9420 179c179 < EELEC = -430.2438 EGB = -12257.4034 RESTRAINT = 0. > EELEC = -1810.1156 EGB = -22315.8694 RESTRAINT = 0. 182c182 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 301.86 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 315.25 PRESS = 0. 183c183 < Etot = -818.1765 EKtot = 1859.8732 EPtot = -2678.0497 > Etot = -11238.9974 EKtot = 1942.3690 EPtot = -13181.3664 184c184 < BOND = 455.6497 ANGLE = 1513.0895 DIHED = 827.7882 > BOND = 511.6768 ANGLE = 1640.8076 DIHED = 839.4959 185c185 < 1-4 NB = 520.8991 1-4 EEL = 7840.9790 VDWAALS = -1160.6754 > 1-4 NB = 530.9469 1-4 EEL = 7545.6415 VDWAALS = -1110.2125 186c186 < EELEC = -407.0224 EGB = -12268.7573 RESTRAINT = 0. > EELEC = -999.5885 EGB = -22140.1342 RESTRAINT = 0. 189c189 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 9.59 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 8.73 PRESS = 0. 190c190 < Etot = 4.5038 EKtot = 59.0709 EPtot = 63.3574 > Etot = 491.0686 EKtot = 53.8025 EPtot = 508.9929 191c191 < BOND = 19.0050 ANGLE = 63.7017 DIHED = 19.5522 > BOND = 34.7984 ANGLE = 132.7686 DIHED = 30.8682 192c192 < 1-4 NB = 3.6912 1-4 EEL = 20.6970 VDWAALS = 5.4173 > 1-4 NB = 7.7106 1-4 EEL = 187.3418 VDWAALS = 49.2538 193c193 < EELEC = 13.6164 EGB = 7.8804 RESTRAINT = 0. > EELEC = 445.6842 EGB = 107.0305 RESTRAINT = 0. ### Maximum absolute error in matching lines = 1.13e+04 at line 176 field 3 ### Maximum relative error in matching lines = 1.08e+02 at line 190 field 3 --------------------------------------- possible FAILURE: check myoglobin_md_igb8.out.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/myoglobin 70c70 < NSTEP = 1 TIME(PS) = 1.502 TEMP(K) = 305.28 PRESS = 0. > NSTEP = 1 TIME(PS) = 1.502 TEMP(K) = 304.92 PRESS = 0. 71c71 < Etot = -1169.5941 EKtot = 1880.9096 EPtot = -3050.5037 > Etot = -10869.3905 EKtot = 1878.6704 EPtot = -12748.0609 74c74 < EELEC = -382.5872 EGB = -12616.1441 RESTRAINT = 0. > EELEC = -382.5872 EGB = -22313.7013 RESTRAINT = 0. 76c76 < NSTEP = 2 TIME(PS) = 1.504 TEMP(K) = 324.33 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.504 TEMP(K) = 324.99 PRESS = 0. 77c77 < Etot = -1178.1236 EKtot = 1998.3090 EPtot = -3176.4326 > Etot = -10902.4243 EKtot = 2002.3554 EPtot = -12904.7797 78c78 < BOND = 422.0373 ANGLE = 1364.5434 DIHED = 796.0257 > BOND = 424.2533 ANGLE = 1361.8705 DIHED = 795.8753 79c79 < 1-4 NB = 522.8543 1-4 EEL = 7884.7584 VDWAALS = -1158.4891 > 1-4 NB = 523.9494 1-4 EEL = 7867.6392 VDWAALS = -1157.6575 80c80 < EELEC = -393.4534 EGB = -12614.7092 RESTRAINT = 0. > EELEC = -408.9240 EGB = -22311.7858 RESTRAINT = 0. 82c82 < NSTEP = 3 TIME(PS) = 1.506 TEMP(K) = 320.48 PRESS = 0. > NSTEP = 3 TIME(PS) = 1.506 TEMP(K) = 324.49 PRESS = 0. 83c83 < Etot = -1175.1744 EKtot = 1974.5490 EPtot = -3149.7234 > Etot = -10939.8350 EKtot = 1999.2458 EPtot = -12939.0808 84c84 < BOND = 437.5632 ANGLE = 1393.8188 DIHED = 794.4009 > BOND = 445.2267 ANGLE = 1388.9298 DIHED = 794.5241 85c85 < 1-4 NB = 521.3706 1-4 EEL = 7883.0168 VDWAALS = -1162.9856 > 1-4 NB = 523.8171 1-4 EEL = 7834.0577 VDWAALS = -1162.4309 86c86 < EELEC = -401.5626 EGB = -12615.3455 RESTRAINT = 0. > EELEC = -448.2241 EGB = -22314.9812 RESTRAINT = 0. 88c88 < NSTEP = 4 TIME(PS) = 1.508 TEMP(K) = 299.84 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.508 TEMP(K) = 307.47 PRESS = 0. 89c89 < Etot = -1164.7775 EKtot = 1847.3902 EPtot = -3012.1677 > Etot = -10984.3737 EKtot = 1894.4039 EPtot = -12878.7776 90c90 < BOND = 473.9345 ANGLE = 1504.6544 DIHED = 796.0523 > BOND = 489.9146 ANGLE = 1508.4823 DIHED = 797.3398 91c91 < 1-4 NB = 522.8630 1-4 EEL = 7876.8546 VDWAALS = -1163.4913 > 1-4 NB = 526.7118 1-4 EEL = 7785.8723 VDWAALS = -1163.8587 92c92 < EELEC = -405.9706 EGB = -12617.0645 RESTRAINT = 0. > EELEC = -498.5934 EGB = -22324.6463 RESTRAINT = 0. 94c94 < NSTEP = 5 TIME(PS) = 1.510 TEMP(K) = 285.09 PRESS = 0. > NSTEP = 5 TIME(PS) = 1.510 TEMP(K) = 294.95 PRESS = 0. 95c95 < Etot = -1158.9152 EKtot = 1756.5426 EPtot = -2915.4578 > Etot = -11047.7620 EKtot = 1817.2945 EPtot = -12865.0564 96c96 < BOND = 490.4629 ANGLE = 1589.6389 DIHED = 799.8346 > BOND = 515.8624 ANGLE = 1617.9584 DIHED = 803.3657 97c97 < 1-4 NB = 524.4231 1-4 EEL = 7867.5451 VDWAALS = -1161.8731 > 1-4 NB = 529.9504 1-4 EEL = 7730.3362 VDWAALS = -1161.8784 98c98 < EELEC = -407.2043 EGB = -12618.2850 RESTRAINT = 0. > EELEC = -558.7003 EGB = -22341.9508 RESTRAINT = 0. 100c100 < NSTEP = 6 TIME(PS) = 1.512 TEMP(K) = 289.43 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.512 TEMP(K) = 300.33 PRESS = 0. 101c101 < Etot = -1163.3146 EKtot = 1783.2397 EPtot = -2946.5543 > Etot = -11136.7958 EKtot = 1850.4220 EPtot = -12987.2177 102c102 < BOND = 474.7543 ANGLE = 1579.0933 DIHED = 804.1208 > BOND = 509.6811 ANGLE = 1639.4275 DIHED = 810.8145 103c103 < 1-4 NB = 523.3964 1-4 EEL = 7856.9332 VDWAALS = -1160.5622 > 1-4 NB = 530.4308 1-4 EEL = 7675.0210 VDWAALS = -1156.9175 104c104 < EELEC = -406.2875 EGB = -12618.0026 RESTRAINT = 0. > EELEC = -627.3691 EGB = -22368.3060 RESTRAINT = 0. 106c106 < NSTEP = 7 TIME(PS) = 1.514 TEMP(K) = 303.58 PRESS = 0. > NSTEP = 7 TIME(PS) = 1.514 TEMP(K) = 315.72 PRESS = 0. 107c107 < Etot = -1171.7743 EKtot = 1870.4341 EPtot = -3042.2084 > Etot = -11246.5395 EKtot = 1945.2540 EPtot = -13191.7935 108c108 < BOND = 452.3389 ANGLE = 1509.2255 DIHED = 808.3025 > BOND = 498.4285 ANGLE = 1594.7088 DIHED = 818.7031 109c109 < 1-4 NB = 520.8450 1-4 EEL = 7847.2281 VDWAALS = -1159.6767 > 1-4 NB = 528.1761 1-4 EEL = 7625.4934 VDWAALS = -1148.9579 110c110 < EELEC = -404.1136 EGB = -12616.3582 RESTRAINT = 0. > EELEC = -702.9986 EGB = -22405.3470 RESTRAINT = 0. 112c112 < NSTEP = 8 TIME(PS) = 1.516 TEMP(K) = 309.38 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.516 TEMP(K) = 323.66 PRESS = 0. 113c113 < Etot = -1173.9821 EKtot = 1906.1749 EPtot = -3080.1570 > Etot = -11364.6848 EKtot = 1994.1453 EPtot = -13358.8301 114c114 < BOND = 446.7509 ANGLE = 1472.5014 DIHED = 812.5080 > BOND = 507.7918 ANGLE = 1569.9441 DIHED = 826.8927 115c115 < 1-4 NB = 519.7558 1-4 EEL = 7840.6603 VDWAALS = -1156.6706 > 1-4 NB = 525.8805 1-4 EEL = 7583.9824 VDWAALS = -1137.7527 116c116 < EELEC = -401.6622 EGB = -12614.0006 RESTRAINT = 0. > EELEC = -783.4729 EGB = -22452.0961 RESTRAINT = 0. 118c118 < NSTEP = 9 TIME(PS) = 1.518 TEMP(K) = 301.80 PRESS = 0. > NSTEP = 9 TIME(PS) = 1.518 TEMP(K) = 318.31 PRESS = 0. 119c119 < Etot = -1168.4327 EKtot = 1859.4822 EPtot = -3027.9149 > Etot = -11480.8311 EKtot = 1961.1748 EPtot = -13442.0059 120c120 < BOND = 449.1467 ANGLE = 1510.0714 DIHED = 816.4988 > BOND = 527.7259 ANGLE = 1613.4832 DIHED = 834.9576 121c121 < 1-4 NB = 521.0178 1-4 EEL = 7838.8605 VDWAALS = -1151.9515 > 1-4 NB = 525.1947 1-4 EEL = 7549.6741 VDWAALS = -1124.3723 122c122 < EELEC = -400.2520 EGB = -12611.3065 RESTRAINT = 0. > EELEC = -866.5991 EGB = -22502.0699 RESTRAINT = 0. 124c124 < NSTEP = 10 TIME(PS) = 1.520 TEMP(K) = 292.39 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.520 TEMP(K) = 310.37 PRESS = 0. 125c125 < Etot = -1163.2087 EKtot = 1801.4965 EPtot = -2964.7052 > Etot = -11594.1660 EKtot = 1912.2957 EPtot = -13506.4617 126c126 < BOND = 439.1035 ANGLE = 1569.4240 DIHED = 819.4388 > BOND = 532.5191 ANGLE = 1683.4616 DIHED = 841.6963 127c127 < 1-4 NB = 523.2740 1-4 EEL = 7842.1895 VDWAALS = -1148.6504 > 1-4 NB = 525.8526 1-4 EEL = 7519.9347 VDWAALS = -1110.7262 128c128 < EELEC = -401.1815 EGB = -12608.3031 RESTRAINT = 0. > EELEC = -950.6775 EGB = -22548.5222 RESTRAINT = 0. 130c130 < NSTEP = 11 TIME(PS) = 1.522 TEMP(K) = 292.56 PRESS = 0. > NSTEP = 11 TIME(PS) = 1.522 TEMP(K) = 311.68 PRESS = 0. 131c131 < Etot = -1164.2212 EKtot = 1802.5598 EPtot = -2966.7811 > Etot = -11709.2665 EKtot = 1920.3493 EPtot = -13629.6158 132c132 < BOND = 421.0510 ANGLE = 1574.1219 DIHED = 820.7752 > BOND = 521.3494 ANGLE = 1706.6322 DIHED = 846.0565 133c133 < 1-4 NB = 525.6315 1-4 EEL = 7849.5093 VDWAALS = -1147.7940 > 1-4 NB = 527.8862 1-4 EEL = 7491.5448 VDWAALS = -1097.8497 134c134 < EELEC = -405.0340 EGB = -12605.0421 RESTRAINT = 0. > EELEC = -1034.8717 EGB = -22590.3636 RESTRAINT = 0. 136c136 < NSTEP = 12 TIME(PS) = 1.524 TEMP(K) = 300.50 PRESS = 0. > NSTEP = 12 TIME(PS) = 1.524 TEMP(K) = 321.13 PRESS = 0. 137c137 < Etot = -1168.8855 EKtot = 1851.4975 EPtot = -3020.3831 > Etot = -11826.2458 EKtot = 1978.5693 EPtot = -13804.8151 138c138 < BOND = 419.0806 ANGLE = 1514.9634 DIHED = 820.9178 > BOND = 517.2728 ANGLE = 1670.9266 DIHED = 848.1638 139c139 < 1-4 NB = 528.3173 1-4 EEL = 7858.5935 VDWAALS = -1148.7703 > 1-4 NB = 532.5749 1-4 EEL = 7461.8372 VDWAALS = -1086.7726 140c140 < EELEC = -411.2559 EGB = -12602.2294 RESTRAINT = 0. > EELEC = -1119.4356 EGB = -22629.3821 RESTRAINT = 0. 142c142 < NSTEP = 13 TIME(PS) = 1.526 TEMP(K) = 306.12 PRESS = 0. > NSTEP = 13 TIME(PS) = 1.526 TEMP(K) = 328.23 PRESS = 0. 143c143 < Etot = -1171.3646 EKtot = 1886.1144 EPtot = -3057.4791 > Etot = -11942.1967 EKtot = 2022.3204 EPtot = -13964.5172 144c144 < BOND = 439.0128 ANGLE = 1454.6592 DIHED = 821.0723 > BOND = 529.2656 ANGLE = 1636.2110 DIHED = 849.3905 145c145 < 1-4 NB = 531.2843 1-4 EEL = 7867.0317 VDWAALS = -1151.3687 > 1-4 NB = 541.7809 1-4 EEL = 7430.5011 VDWAALS = -1077.7543 146c146 < EELEC = -418.5797 EGB = -12600.5909 RESTRAINT = 0. > EELEC = -1205.6213 EGB = -22668.2906 RESTRAINT = 0. 148c148 < NSTEP = 14 TIME(PS) = 1.528 TEMP(K) = 303.52 PRESS = 0. > NSTEP = 14 TIME(PS) = 1.528 TEMP(K) = 326.78 PRESS = 0. 149c149 < Etot = -1169.9977 EKtot = 1870.0769 EPtot = -3040.0746 > Etot = -12053.1584 EKtot = 2013.3825 EPtot = -14066.5410 150c150 < BOND = 457.4128 ANGLE = 1453.7187 DIHED = 822.5161 > BOND = 538.2765 ANGLE = 1659.4439 DIHED = 851.6390 151c151 < 1-4 NB = 534.1447 1-4 EEL = 7873.0631 VDWAALS = -1154.9845 > 1-4 NB = 551.5932 1-4 EEL = 7402.8863 VDWAALS = -1069.0172 152c152 < EELEC = -425.8546 EGB = -12600.0909 RESTRAINT = 0. > EELEC = -1294.9794 EGB = -22706.3833 RESTRAINT = 0. 154c154 < NSTEP = 15 TIME(PS) = 1.530 TEMP(K) = 295.42 PRESS = 0. > NSTEP = 15 TIME(PS) = 1.530 TEMP(K) = 319.92 PRESS = 0. 155c155 < Etot = -1166.9960 EKtot = 1820.1846 EPtot = -2987.1806 > Etot = -12167.9111 EKtot = 1971.1392 EPtot = -14139.0502 156c156 < BOND = 454.3412 ANGLE = 1510.2583 DIHED = 825.4808 > BOND = 527.9534 ANGLE = 1735.3949 DIHED = 856.0218 157c157 < 1-4 NB = 536.8054 1-4 EEL = 7875.9759 VDWAALS = -1157.8656 > 1-4 NB = 547.7087 1-4 EEL = 7386.5125 VDWAALS = -1060.9050 158c158 < EELEC = -432.4126 EGB = -12599.7639 RESTRAINT = 0. > EELEC = -1388.6245 EGB = -22743.1121 RESTRAINT = 0. 160c160 < NSTEP = 16 TIME(PS) = 1.532 TEMP(K) = 288.75 PRESS = 0. > NSTEP = 16 TIME(PS) = 1.532 TEMP(K) = 312.63 PRESS = 0. 161c161 < Etot = -1164.7775 EKtot = 1779.0643 EPtot = -2943.8418 > Etot = -12281.4301 EKtot = 1926.1835 EPtot = -14207.6136 162c162 < BOND = 439.8158 ANGLE = 1568.3578 DIHED = 828.6567 > BOND = 511.0897 ANGLE = 1813.4219 DIHED = 862.3018 163c163 < 1-4 NB = 538.6611 1-4 EEL = 7876.0934 VDWAALS = -1159.0170 > 1-4 NB = 545.5605 1-4 EEL = 7374.4791 VDWAALS = -1050.6766 164c164 < EELEC = -438.0127 EGB = -12598.3968 RESTRAINT = 0. > EELEC = -1486.4106 EGB = -22777.3796 RESTRAINT = 0. 166c166 < NSTEP = 17 TIME(PS) = 1.534 TEMP(K) = 288.62 PRESS = 0. > NSTEP = 17 TIME(PS) = 1.534 TEMP(K) = 310.41 PRESS = 0. 167c167 < Etot = -1164.8988 EKtot = 1778.2947 EPtot = -2943.1935 > Etot = -12391.8751 EKtot = 1912.5381 EPtot = -14304.4132 168c168 < BOND = 436.7772 ANGLE = 1574.5171 DIHED = 830.2797 > BOND = 512.1822 ANGLE = 1838.1018 DIHED = 869.1108 169c169 < 1-4 NB = 538.5027 1-4 EEL = 7874.5075 VDWAALS = -1159.4223 > 1-4 NB = 543.4899 1-4 EEL = 7363.2710 VDWAALS = -1034.8147 170c170 < EELEC = -442.7505 EGB = -12595.6050 RESTRAINT = 0. > EELEC = -1588.3578 EGB = -22807.3963 RESTRAINT = 0. 172c172 < NSTEP = 18 TIME(PS) = 1.536 TEMP(K) = 294.60 PRESS = 0. > NSTEP = 18 TIME(PS) = 1.536 TEMP(K) = 314.59 PRESS = 0. 173c173 < Etot = -1167.5050 EKtot = 1815.1198 EPtot = -2982.6248 > Etot = -12500.5583 EKtot = 1938.2613 EPtot = -14438.8196 174c174 < BOND = 448.8129 ANGLE = 1528.6120 DIHED = 830.1143 > BOND = 533.2301 ANGLE = 1803.5349 DIHED = 875.6078 175c175 < 1-4 NB = 536.0641 1-4 EEL = 7872.6712 VDWAALS = -1160.0962 > 1-4 NB = 538.1722 1-4 EEL = 7352.0594 VDWAALS = -1014.2354 176c176 < EELEC = -446.9389 EGB = -12591.8642 RESTRAINT = 0. > EELEC = -1694.4544 EGB = -22832.7340 RESTRAINT = 0. 178c178 < NSTEP = 19 TIME(PS) = 1.538 TEMP(K) = 300.81 PRESS = 0. > NSTEP = 19 TIME(PS) = 1.538 TEMP(K) = 320.55 PRESS = 0. 179c179 < Etot = -1170.3365 EKtot = 1853.3924 EPtot = -3023.7289 > Etot = -12608.7092 EKtot = 1975.0043 EPtot = -14583.7135 180c180 < BOND = 458.5791 ANGLE = 1481.9050 DIHED = 829.9529 > BOND = 552.1309 ANGLE = 1760.0088 DIHED = 882.4092 181c181 < 1-4 NB = 533.3693 1-4 EEL = 7871.8164 VDWAALS = -1160.4509 > 1-4 NB = 531.7326 1-4 EEL = 7339.2166 VDWAALS = -988.3953 182c182 < EELEC = -450.8794 EGB = -12588.0213 RESTRAINT = 0. > EELEC = -1804.7655 EGB = -22856.0506 RESTRAINT = 0. 184c184 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 301.05 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 322.05 PRESS = 0. 185c185 < Etot = -1170.5992 EKtot = 1854.8839 EPtot = -3025.4832 > Etot = -12716.3213 EKtot = 1984.2461 EPtot = -14700.5675 186c186 < BOND = 455.2904 ANGLE = 1481.5349 DIHED = 831.5754 > BOND = 554.3191 ANGLE = 1760.0633 DIHED = 890.4051 187c187 < 1-4 NB = 532.9583 1-4 EEL = 7872.4245 VDWAALS = -1159.7969 > 1-4 NB = 528.2395 1-4 EEL = 7322.6802 VDWAALS = -956.6648 188c188 < EELEC = -454.4687 EGB = -12585.0011 RESTRAINT = 0. > EELEC = -1919.2487 EGB = -22880.3611 RESTRAINT = 0. 191c191 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 300.18 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 315.66 PRESS = 0. 192c192 < Etot = -1168.3439 EKtot = 1849.4858 EPtot = -3017.8298 > Etot = -11688.2238 EKtot = 1944.8628 EPtot = -13633.0866 193c193 < BOND = 448.1269 ANGLE = 1504.0102 DIHED = 815.4337 > BOND = 509.7372 ANGLE = 1640.3295 DIHED = 837.7713 194c194 < 1-4 NB = 528.1245 1-4 EEL = 7865.5689 VDWAALS = -1156.7646 > 1-4 NB = 532.7827 1-4 EEL = 7548.9322 VDWAALS = -1095.6507 195c195 < EELEC = -416.5231 EGB = -12605.8062 RESTRAINT = 0. > EELEC = -1038.2458 EGB = -22568.7430 RESTRAINT = 0. 198c198 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 9.87 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 8.83 PRESS = 0. 199c199 < Etot = 4.5057 EKtot = 60.8056 EPtot = 65.0423 > Etot = 602.8184 EKtot = 54.3865 EPtot = 622.5050 200c200 < BOND = 17.6193 ANGLE = 60.9018 DIHED = 12.6487 > BOND = 33.8862 ANGLE = 131.4688 DIHED = 29.7546 201c201 < 1-4 NB = 6.3089 1-4 EEL = 14.4118 VDWAALS = 4.8881 > 1-4 NB = 8.4487 1-4 EEL = 184.1051 VDWAALS = 61.3847 202c202 < EELEC = 20.3521 EGB = 10.3334 RESTRAINT = 0. > EELEC = 479.5621 EGB = 200.6304 RESTRAINT = 0. ### Maximum absolute error in matching lines = 1.15e+04 at line 185 field 3 ### Maximum relative error in matching lines = 1.33e+02 at line 199 field 3 --------------------------------------- possible FAILURE: check myoglobin_md_igb8_gbsa.out.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/myoglobin 70c70 < NSTEP = 2 TIME(PS) = 1.504 TEMP(K) = 324.34 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.504 TEMP(K) = 325.00 PRESS = 0. 71c71 < Etot = -1128.8639 EKtot = 1998.3502 EPtot = -3127.2141 > Etot = -10853.1519 EKtot = 2002.4130 EPtot = -12855.5649 72c72 < BOND = 422.0436 ANGLE = 1364.5383 DIHED = 796.0265 > BOND = 424.2607 ANGLE = 1361.8642 DIHED = 795.8761 73c73 < 1-4 NB = 522.8514 1-4 EEL = 7884.7419 VDWAALS = -1158.4899 > 1-4 NB = 523.9465 1-4 EEL = 7867.6227 VDWAALS = -1157.6582 74c74 < EELEC = -393.4479 EGB = -12614.7010 RESTRAINT = 0. > EELEC = -408.9184 EGB = -22311.7737 RESTRAINT = 0. 75c75 < ESURF= 49.2229 > ESURF= 49.2152 77c77 < NSTEP = 4 TIME(PS) = 1.508 TEMP(K) = 299.85 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.508 TEMP(K) = 307.50 PRESS = 0. 78c78 < Etot = -1115.4697 EKtot = 1847.4810 EPtot = -2962.9507 > Etot = -10934.9871 EKtot = 1894.5803 EPtot = -12829.5673 79c79 < BOND = 473.9701 ANGLE = 1504.6501 DIHED = 796.0578 > BOND = 489.9743 ANGLE = 1508.4553 DIHED = 797.3468 80c80 < 1-4 NB = 522.8459 1-4 EEL = 7876.7636 VDWAALS = -1163.4959 > 1-4 NB = 526.6957 1-4 EEL = 7785.7814 VDWAALS = -1163.8639 81c81 < EELEC = -405.9287 EGB = -12617.0247 RESTRAINT = 0. > EELEC = -498.5553 EGB = -22324.5807 RESTRAINT = 0. 82c82 < ESURF= 49.2111 > ESURF= 49.1792 84c84 < NSTEP = 6 TIME(PS) = 1.512 TEMP(K) = 289.44 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.512 TEMP(K) = 300.38 PRESS = 0. 85c85 < Etot = -1113.9948 EKtot = 1783.3499 EPtot = -2897.3447 > Etot = -11087.2460 EKtot = 1850.7135 EPtot = -12937.9595 86c86 < BOND = 474.8295 ANGLE = 1579.1017 DIHED = 804.1326 > BOND = 509.8241 ANGLE = 1639.3883 DIHED = 810.8339 87c87 < 1-4 NB = 523.3557 1-4 EEL = 7856.7316 VDWAALS = -1160.5781 > 1-4 NB = 530.3955 1-4 EEL = 7674.8182 VDWAALS = -1156.9354 88c88 < EELEC = -406.1544 EGB = -12617.9351 RESTRAINT = 0. > EELEC = -627.2574 EGB = -22368.1665 RESTRAINT = 0. 89c89 < ESURF= 49.1717 > ESURF= 49.1398 91c91 < NSTEP = 8 TIME(PS) = 1.516 TEMP(K) = 309.40 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.516 TEMP(K) = 323.72 PRESS = 0. 92c92 < Etot = -1124.6335 EKtot = 1906.3023 EPtot = -3030.9358 > Etot = -11314.9730 EKtot = 1994.5441 EPtot = -13309.5172 93c93 < BOND = 446.8822 ANGLE = 1472.4822 DIHED = 812.5219 > BOND = 508.0344 ANGLE = 1569.8904 DIHED = 826.9247 94c94 < 1-4 NB = 519.6844 1-4 EEL = 7840.3263 VDWAALS = -1156.7070 > 1-4 NB = 525.8263 1-4 EEL = 7583.6440 VDWAALS = -1137.7978 95c95 < EELEC = -401.3725 EGB = -12613.9268 RESTRAINT = 0. > EELEC = -783.2352 EGB = -22451.8777 RESTRAINT = 0. 96c96 < ESURF= 49.1734 > ESURF= 49.0738 98c98 < NSTEP = 10 TIME(PS) = 1.520 TEMP(K) = 292.40 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.520 TEMP(K) = 310.45 PRESS = 0. 99c99 < Etot = -1113.8374 EKtot = 1801.5843 EPtot = -2915.4217 > Etot = -11544.1535 EKtot = 1912.7436 EPtot = -13456.8972 100c100 < BOND = 439.3126 ANGLE = 1569.4010 DIHED = 819.4571 > BOND = 532.8862 ANGLE = 1683.4335 DIHED = 841.7437 101c101 < 1-4 NB = 523.1698 1-4 EEL = 7841.7028 VDWAALS = -1148.7107 > 1-4 NB = 525.7868 1-4 EEL = 7519.4405 VDWAALS = -1110.8194 102c102 < EELEC = -400.6921 EGB = -12608.2369 RESTRAINT = 0. > EELEC = -950.2604 EGB = -22548.1959 RESTRAINT = 0. 103c103 < ESURF= 49.1748 > ESURF= 49.0879 105c105 < NSTEP = 12 TIME(PS) = 1.524 TEMP(K) = 300.51 PRESS = 0. > NSTEP = 12 TIME(PS) = 1.524 TEMP(K) = 321.21 PRESS = 0. 106c106 < Etot = -1119.4875 EKtot = 1851.5431 EPtot = -2971.0306 > Etot = -11775.7824 EKtot = 1979.0447 EPtot = -13754.8271 107c107 < BOND = 419.3340 ANGLE = 1514.9533 DIHED = 820.9554 > BOND = 517.7171 ANGLE = 1670.9754 DIHED = 848.2363 108c108 < 1-4 NB = 528.1769 1-4 EEL = 7857.9409 VDWAALS = -1148.8485 > 1-4 NB = 532.5030 1-4 EEL = 7461.1773 VDWAALS = -1086.9536 109c109 < EELEC = -410.5595 EGB = -12602.1704 RESTRAINT = 0. > EELEC = -1118.7901 EGB = -22628.8942 RESTRAINT = 0. 110c110 < ESURF= 49.1874 > ESURF= 49.2017 112c112 < NSTEP = 14 TIME(PS) = 1.528 TEMP(K) = 303.52 PRESS = 0. > NSTEP = 14 TIME(PS) = 1.528 TEMP(K) = 326.86 PRESS = 0. 113c113 < Etot = -1120.4721 EKtot = 1870.0877 EPtot = -2990.5598 > Etot = -12002.1456 EKtot = 2013.8684 EPtot = -14016.0140 114c114 < BOND = 457.6690 ANGLE = 1453.7481 DIHED = 822.5861 > BOND = 538.7486 ANGLE = 1659.6061 DIHED = 851.7418 115c115 < 1-4 NB = 533.9604 1-4 EEL = 7872.2552 VDWAALS = -1155.0899 > 1-4 NB = 551.5015 1-4 EEL = 7402.0806 VDWAALS = -1069.3541 116c116 < EELEC = -424.9590 EGB = -12600.0423 RESTRAINT = 0. > EELEC = -1294.0622 EGB = -22705.6581 RESTRAINT = 0. 117c117 < ESURF= 49.3126 > ESURF= 49.3819 119c119 < NSTEP = 16 TIME(PS) = 1.532 TEMP(K) = 288.74 PRESS = 0. > NSTEP = 16 TIME(PS) = 1.532 TEMP(K) = 312.70 PRESS = 0. 120c120 < Etot = -1115.1082 EKtot = 1779.0013 EPtot = -2894.1095 > Etot = -12229.8785 EKtot = 1926.6092 EPtot = -14156.4876 121c121 < BOND = 440.0448 ANGLE = 1568.4816 DIHED = 828.7577 > BOND = 511.5486 ANGLE = 1813.7576 DIHED = 862.4332 122c122 < 1-4 NB = 538.4270 1-4 EEL = 7875.1595 VDWAALS = -1159.1648 > 1-4 NB = 545.4671 1-4 EEL = 7373.5415 VDWAALS = -1051.2480 123c123 < EELEC = -436.9109 EGB = -12598.3769 RESTRAINT = 0. > EELEC = -1485.1866 EGB = -22776.3680 RESTRAINT = 0. 124c124 < ESURF= 49.4725 > ESURF= 49.5668 126c126 < NSTEP = 18 TIME(PS) = 1.536 TEMP(K) = 294.59 PRESS = 0. > NSTEP = 18 TIME(PS) = 1.536 TEMP(K) = 314.64 PRESS = 0. 127c127 < Etot = -1117.8967 EKtot = 1815.0295 EPtot = -2932.9262 > Etot = -12448.6344 EKtot = 1938.5978 EPtot = -14387.2322 128c128 < BOND = 448.9878 ANGLE = 1528.7759 DIHED = 830.2348 > BOND = 533.6535 ANGLE = 1804.0424 DIHED = 875.7689 129c129 < 1-4 NB = 535.7841 1-4 EEL = 7871.6315 VDWAALS = -1160.2978 > 1-4 NB = 538.0738 1-4 EEL = 7351.0099 VDWAALS = -1015.1167 130c130 < EELEC = -445.6116 EGB = -12591.8933 RESTRAINT = 0. > EELEC = -1692.8985 EGB = -22831.4083 RESTRAINT = 0. 131c131 < ESURF= 49.4623 > ESURF= 49.6430 133c133 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 301.03 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 322.08 PRESS = 0. 134c134 < Etot = -1120.9851 EKtot = 1854.7336 EPtot = -2975.7187 > Etot = -12664.0391 EKtot = 1984.4237 EPtot = -14648.4629 135c135 < BOND = 455.4412 ANGLE = 1481.7204 DIHED = 831.7091 > BOND = 554.7462 ANGLE = 1760.7125 DIHED = 890.6122 136c136 < 1-4 NB = 532.6564 1-4 EEL = 7871.2773 VDWAALS = -1160.0536 > 1-4 NB = 528.1661 1-4 EEL = 7321.5211 VDWAALS = -957.9316 137c137 < EELEC = -452.9146 EGB = -12585.0836 RESTRAINT = 0. > EELEC = -1917.3389 EGB = -22878.7904 RESTRAINT = 0. 138c138 < ESURF= 49.5287 > ESURF= 49.8399 141c141 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 300.38 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 316.45 PRESS = 0. 142c142 < Etot = -1119.0749 EKtot = 1850.7463 EPtot = -2969.8212 > Etot = -11685.4991 EKtot = 1949.7538 EPtot = -13635.2530 143c143 < BOND = 447.8515 ANGLE = 1503.7853 DIHED = 816.2439 > BOND = 512.1394 ANGLE = 1647.2126 DIHED = 840.1517 144c144 < 1-4 NB = 528.0912 1-4 EEL = 7864.8531 VDWAALS = -1157.1436 > 1-4 NB = 532.8362 1-4 EEL = 7534.0637 VDWAALS = -1090.7679 145c145 < EELEC = -417.8551 EGB = -12604.9391 RESTRAINT = 0. > EELEC = -1077.6503 EGB = -22582.5713 RESTRAINT = 0. 146c146 < ESURF= 49.2917 > ESURF= 49.3329 149c149 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 10.09 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 8.25 PRESS = 0. 150c150 < Etot = 4.6460 EKtot = 62.1747 EPtot = 66.5783 > Etot = 609.5840 EKtot = 50.8260 EPtot = 624.8364 151c151 < BOND = 17.8308 ANGLE = 61.8658 DIHED = 12.8102 > BOND = 34.1823 ANGLE = 131.8948 DIHED = 30.5624 152c152 < 1-4 NB = 6.2737 1-4 EEL = 14.2720 VDWAALS = 4.6988 > 1-4 NB = 8.8250 1-4 EEL = 180.0805 VDWAALS = 64.9714 153c153 < EELEC = 19.7674 EGB = 10.6820 RESTRAINT = 0. > EELEC = 488.5218 EGB = 202.1488 RESTRAINT = 0. 154c154 < ESURF= 0.1351 > ESURF= 0.2509 ### Maximum absolute error in matching lines = 1.15e+04 at line 134 field 3 ### Maximum relative error in matching lines = 1.30e+02 at line 150 field 3 --------------------------------------- possible FAILURE: (ignored) check myoglobin_md_igb8_gbsa3.out.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/myoglobin 70c70 < NSTEP = 2 TIME(PS) = 1.504 TEMP(K) = 324.33 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.504 TEMP(K) = 324.99 PRESS = 0. 71c71 < Etot = -1176.3180 EKtot = 1998.3090 EPtot = -3174.6271 > Etot = -10900.6188 EKtot = 2002.3554 EPtot = -12902.9742 72c72 < BOND = 422.0373 ANGLE = 1364.5434 DIHED = 796.0257 > BOND = 424.2533 ANGLE = 1361.8705 DIHED = 795.8753 73c73 < 1-4 NB = 522.8543 1-4 EEL = 7884.7584 VDWAALS = -1158.4891 > 1-4 NB = 523.9494 1-4 EEL = 7867.6392 VDWAALS = -1157.6575 74c74 < EELEC = -393.4534 EGB = -12614.7092 RESTRAINT = 0. > EELEC = -408.9240 EGB = -22311.7858 RESTRAINT = 0. 77c77 < NSTEP = 4 TIME(PS) = 1.508 TEMP(K) = 299.84 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.508 TEMP(K) = 307.47 PRESS = 0. 78c78 < Etot = -1162.9719 EKtot = 1847.3902 EPtot = -3010.3621 > Etot = -10982.5682 EKtot = 1894.4039 EPtot = -12876.9721 79c79 < BOND = 473.9345 ANGLE = 1504.6544 DIHED = 796.0523 > BOND = 489.9146 ANGLE = 1508.4823 DIHED = 797.3398 80c80 < 1-4 NB = 522.8630 1-4 EEL = 7876.8546 VDWAALS = -1163.4913 > 1-4 NB = 526.7118 1-4 EEL = 7785.8723 VDWAALS = -1163.8587 81c81 < EELEC = -405.9706 EGB = -12617.0645 RESTRAINT = 0. > EELEC = -498.5934 EGB = -22324.6463 RESTRAINT = 0. 84c84 < NSTEP = 6 TIME(PS) = 1.512 TEMP(K) = 289.43 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.512 TEMP(K) = 300.33 PRESS = 0. 85c85 < Etot = -1161.5090 EKtot = 1783.2397 EPtot = -2944.7487 > Etot = -11134.9902 EKtot = 1850.4220 EPtot = -12985.4122 86c86 < BOND = 474.7543 ANGLE = 1579.0933 DIHED = 804.1208 > BOND = 509.6811 ANGLE = 1639.4275 DIHED = 810.8145 87c87 < 1-4 NB = 523.3964 1-4 EEL = 7856.9332 VDWAALS = -1160.5622 > 1-4 NB = 530.4308 1-4 EEL = 7675.0210 VDWAALS = -1156.9175 88c88 < EELEC = -406.2875 EGB = -12618.0026 RESTRAINT = 0. > EELEC = -627.3691 EGB = -22368.3060 RESTRAINT = 0. 91c91 < NSTEP = 8 TIME(PS) = 1.516 TEMP(K) = 309.38 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.516 TEMP(K) = 323.66 PRESS = 0. 92c92 < Etot = -1172.1765 EKtot = 1906.1749 EPtot = -3078.3515 > Etot = -11362.8792 EKtot = 1994.1453 EPtot = -13357.0245 93c93 < BOND = 446.7509 ANGLE = 1472.5014 DIHED = 812.5080 > BOND = 507.7918 ANGLE = 1569.9441 DIHED = 826.8927 94c94 < 1-4 NB = 519.7558 1-4 EEL = 7840.6603 VDWAALS = -1156.6706 > 1-4 NB = 525.8805 1-4 EEL = 7583.9824 VDWAALS = -1137.7527 95c95 < EELEC = -401.6622 EGB = -12614.0006 RESTRAINT = 0. > EELEC = -783.4729 EGB = -22452.0961 RESTRAINT = 0. 98c98 < NSTEP = 10 TIME(PS) = 1.520 TEMP(K) = 292.39 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.520 TEMP(K) = 310.37 PRESS = 0. 99c99 < Etot = -1161.4031 EKtot = 1801.4965 EPtot = -2962.8996 > Etot = -11592.3604 EKtot = 1912.2957 EPtot = -13504.6562 100c100 < BOND = 439.1035 ANGLE = 1569.4240 DIHED = 819.4388 > BOND = 532.5191 ANGLE = 1683.4616 DIHED = 841.6963 101c101 < 1-4 NB = 523.2740 1-4 EEL = 7842.1895 VDWAALS = -1148.6504 > 1-4 NB = 525.8526 1-4 EEL = 7519.9347 VDWAALS = -1110.7262 102c102 < EELEC = -401.1815 EGB = -12608.3031 RESTRAINT = 0. > EELEC = -950.6775 EGB = -22548.5222 RESTRAINT = 0. 105c105 < NSTEP = 12 TIME(PS) = 1.524 TEMP(K) = 300.50 PRESS = 0. > NSTEP = 12 TIME(PS) = 1.524 TEMP(K) = 321.13 PRESS = 0. 106c106 < Etot = -1167.0800 EKtot = 1851.4975 EPtot = -3018.5775 > Etot = -11824.4402 EKtot = 1978.5693 EPtot = -13803.0096 107c107 < BOND = 419.0806 ANGLE = 1514.9634 DIHED = 820.9178 > BOND = 517.2728 ANGLE = 1670.9266 DIHED = 848.1638 108c108 < 1-4 NB = 528.3173 1-4 EEL = 7858.5935 VDWAALS = -1148.7703 > 1-4 NB = 532.5749 1-4 EEL = 7461.8372 VDWAALS = -1086.7726 109c109 < EELEC = -411.2559 EGB = -12602.2294 RESTRAINT = 0. > EELEC = -1119.4356 EGB = -22629.3821 RESTRAINT = 0. 112c112 < NSTEP = 14 TIME(PS) = 1.528 TEMP(K) = 303.52 PRESS = 0. > NSTEP = 14 TIME(PS) = 1.528 TEMP(K) = 326.78 PRESS = 0. 113c113 < Etot = -1168.1921 EKtot = 1870.0769 EPtot = -3038.2690 > Etot = -12051.3529 EKtot = 2013.3825 EPtot = -14064.7354 114c114 < BOND = 457.4128 ANGLE = 1453.7187 DIHED = 822.5161 > BOND = 538.2765 ANGLE = 1659.4439 DIHED = 851.6390 115c115 < 1-4 NB = 534.1447 1-4 EEL = 7873.0631 VDWAALS = -1154.9845 > 1-4 NB = 551.5932 1-4 EEL = 7402.8863 VDWAALS = -1069.0172 116c116 < EELEC = -425.8546 EGB = -12600.0909 RESTRAINT = 0. > EELEC = -1294.9794 EGB = -22706.3833 RESTRAINT = 0. 119c119 < NSTEP = 16 TIME(PS) = 1.532 TEMP(K) = 288.75 PRESS = 0. > NSTEP = 16 TIME(PS) = 1.532 TEMP(K) = 312.63 PRESS = 0. 120c120 < Etot = -1162.9720 EKtot = 1779.0643 EPtot = -2942.0362 > Etot = -12279.6246 EKtot = 1926.1835 EPtot = -14205.8081 121c121 < BOND = 439.8158 ANGLE = 1568.3578 DIHED = 828.6567 > BOND = 511.0897 ANGLE = 1813.4219 DIHED = 862.3018 122c122 < 1-4 NB = 538.6611 1-4 EEL = 7876.0934 VDWAALS = -1159.0170 > 1-4 NB = 545.5605 1-4 EEL = 7374.4791 VDWAALS = -1050.6766 123c123 < EELEC = -438.0127 EGB = -12598.3968 RESTRAINT = 0. > EELEC = -1486.4106 EGB = -22777.3796 RESTRAINT = 0. 126c126 < NSTEP = 18 TIME(PS) = 1.536 TEMP(K) = 294.60 PRESS = 0. > NSTEP = 18 TIME(PS) = 1.536 TEMP(K) = 314.59 PRESS = 0. 127c127 < Etot = -1165.6994 EKtot = 1815.1198 EPtot = -2980.8193 > Etot = -12498.7528 EKtot = 1938.2613 EPtot = -14437.0140 128c128 < BOND = 448.8129 ANGLE = 1528.6120 DIHED = 830.1143 > BOND = 533.2301 ANGLE = 1803.5349 DIHED = 875.6078 129c129 < 1-4 NB = 536.0641 1-4 EEL = 7872.6712 VDWAALS = -1160.0962 > 1-4 NB = 538.1722 1-4 EEL = 7352.0594 VDWAALS = -1014.2354 130c130 < EELEC = -446.9389 EGB = -12591.8642 RESTRAINT = 0. > EELEC = -1694.4544 EGB = -22832.7340 RESTRAINT = 0. 133c133 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 301.05 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 322.05 PRESS = 0. 134c134 < Etot = -1168.7937 EKtot = 1854.8839 EPtot = -3023.6776 > Etot = -12714.5158 EKtot = 1984.2461 EPtot = -14698.7619 135c135 < BOND = 455.2904 ANGLE = 1481.5349 DIHED = 831.5754 > BOND = 554.3191 ANGLE = 1760.0633 DIHED = 890.4051 136c136 < 1-4 NB = 532.9583 1-4 EEL = 7872.4245 VDWAALS = -1159.7969 > 1-4 NB = 528.2395 1-4 EEL = 7322.6802 VDWAALS = -956.6648 137c137 < EELEC = -454.4687 EGB = -12585.0011 RESTRAINT = 0. > EELEC = -1919.2487 EGB = -22880.3611 RESTRAINT = 0. 141c141 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 300.38 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 316.40 PRESS = 0. 142c142 < Etot = -1166.7116 EKtot = 1850.7253 EPtot = -3017.4369 > Etot = -11734.2103 EKtot = 1949.4265 EPtot = -13683.6368 143c143 < BOND = 447.6993 ANGLE = 1503.7403 DIHED = 816.1926 > BOND = 511.8348 ANGLE = 1647.0577 DIHED = 840.0736 144c144 < 1-4 NB = 528.2289 1-4 EEL = 7865.4242 VDWAALS = -1157.0529 > 1-4 NB = 532.8965 1-4 EEL = 7534.6392 VDWAALS = -1090.4279 145c145 < EELEC = -418.5086 EGB = -12604.9662 RESTRAINT = 0. > EELEC = -1078.3566 EGB = -22583.1596 RESTRAINT = 0. 149c149 < NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 10.09 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.540 TEMP(K) = 8.25 PRESS = 0. 150c150 < Etot = 4.6158 EKtot = 62.1610 EPtot = 66.5038 > Etot = 610.6255 EKtot = 50.8196 EPtot = 625.8254 151c151 < BOND = 17.8549 ANGLE = 61.8548 DIHED = 12.7683 > BOND = 34.0467 ANGLE = 131.7272 DIHED = 30.4981 152c152 < 1-4 NB = 6.3637 1-4 EEL = 14.3179 VDWAALS = 4.6915 > 1-4 NB = 8.8476 1-4 EEL = 179.7046 VDWAALS = 65.3714 153c153 < EELEC = 20.2651 EGB = 10.7177 RESTRAINT = 0. > EELEC = 489.1534 EGB = 202.6501 RESTRAINT = 0. ### Maximum absolute error in matching lines = 1.15e+04 at line 134 field 3 ### Maximum relative error in matching lines = 1.31e+02 at line 150 field 3 --------------------------------------- possible FAILURE: check mdout.gbsa3_out.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/gbsa_xfin 59c59 < NSTEP = 1 TIME(PS) = 620.001 TEMP(K) = 299.26 PRESS = 0. > NSTEP = 1 TIME(PS) = 620.001 TEMP(K) = 299.73 PRESS = 0. 60c60 < Etot = -789.3474 EKtot = 308.9410 EPtot = -1098.2884 > Etot = -2055.1678 EKtot = 309.4275 EPtot = -2364.5953 63c63 < EELEC = -1542.3972 EGB = -687.6933 RESTRAINT = 0. > EELEC = -1542.3972 EGB = -1954.0001 RESTRAINT = 0. 66c66 < NSTEP = 2 TIME(PS) = 620.002 TEMP(K) = 304.06 PRESS = 0. > NSTEP = 2 TIME(PS) = 620.002 TEMP(K) = 305.86 PRESS = 0. 67c67 < Etot = -789.4216 EKtot = 313.8974 EPtot = -1103.3190 > Etot = -2055.8194 EKtot = 315.7535 EPtot = -2371.5729 68c68 < BOND = 91.5759 ANGLE = 225.6127 DIHED = 142.9810 > BOND = 91.6776 ANGLE = 226.1248 DIHED = 142.9562 69c69 < 1-4 NB = 80.8594 1-4 EEL = 733.7914 VDWAALS = -160.2809 > 1-4 NB = 80.8925 1-4 EEL = 732.1352 VDWAALS = -160.2737 70c70 < EELEC = -1542.2778 EGB = -686.9619 RESTRAINT = 0. > EELEC = -1543.3147 EGB = -1953.1520 RESTRAINT = 0. 73c73 < NSTEP = 3 TIME(PS) = 620.003 TEMP(K) = 308.00 PRESS = 0. > NSTEP = 3 TIME(PS) = 620.003 TEMP(K) = 311.53 PRESS = 0. 74c74 < Etot = -789.4534 EKtot = 317.9624 EPtot = -1107.4158 > Etot = -2057.6895 EKtot = 321.6053 EPtot = -2379.2948 75c75 < BOND = 91.0063 ANGLE = 221.6226 DIHED = 142.9988 > BOND = 91.2446 ANGLE = 223.4255 DIHED = 142.9256 76c76 < 1-4 NB = 80.7175 1-4 EEL = 733.6675 VDWAALS = -160.1715 > 1-4 NB = 80.8070 1-4 EEL = 728.7144 VDWAALS = -160.1249 77c77 < EELEC = -1542.0772 EGB = -686.5584 RESTRAINT = 0. > EELEC = -1545.2066 EGB = -1952.4591 RESTRAINT = 0. 80c80 < NSTEP = 4 TIME(PS) = 620.004 TEMP(K) = 310.60 PRESS = 0. > NSTEP = 4 TIME(PS) = 620.004 TEMP(K) = 316.00 PRESS = 0. 81c81 < Etot = -789.4410 EKtot = 320.6427 EPtot = -1110.0837 > Etot = -2060.7399 EKtot = 326.2264 EPtot = -2386.9663 82c82 < BOND = 89.9356 ANGLE = 219.6811 DIHED = 142.7652 > BOND = 90.3308 ANGLE = 223.7798 DIHED = 142.6212 83c83 < 1-4 NB = 80.7124 1-4 EEL = 733.8852 VDWAALS = -160.1473 > 1-4 NB = 80.8755 1-4 EEL = 724.0885 VDWAALS = -159.9964 84c84 < EELEC = -1541.8091 EGB = -686.4832 RESTRAINT = 0. > EELEC = -1548.0788 EGB = -1951.9633 RESTRAINT = 0. 87c87 < NSTEP = 5 TIME(PS) = 620.005 TEMP(K) = 312.01 PRESS = 0. > NSTEP = 5 TIME(PS) = 620.005 TEMP(K) = 319.23 PRESS = 0. 88c88 < Etot = -789.4017 EKtot = 322.1056 EPtot = -1111.5073 > Etot = -2064.9444 EKtot = 329.5540 EPtot = -2394.4984 89c89 < BOND = 88.4685 ANGLE = 219.4600 DIHED = 142.3792 > BOND = 89.0982 ANGLE = 226.9298 DIHED = 142.1452 90c90 < 1-4 NB = 80.8226 1-4 EEL = 734.4178 VDWAALS = -160.2377 > 1-4 NB = 81.0749 1-4 EEL = 718.4076 VDWAALS = -159.8863 91c91 < EELEC = -1541.4885 EGB = -686.7038 RESTRAINT = 0. > EELEC = -1551.9185 EGB = -1951.7241 RESTRAINT = 0. 94c94 < NSTEP = 6 TIME(PS) = 620.006 TEMP(K) = 312.82 PRESS = 0. > NSTEP = 6 TIME(PS) = 620.006 TEMP(K) = 321.65 PRESS = 0. 95c95 < Etot = -789.3609 EKtot = 322.9369 EPtot = -1112.2977 > Etot = -2070.2825 EKtot = 332.0532 EPtot = -2402.3356 96c96 < BOND = 86.8256 ANGLE = 220.0931 DIHED = 141.9518 > BOND = 87.8907 ANGLE = 231.8490 DIHED = 141.6167 97c97 < 1-4 NB = 80.9939 1-4 EEL = 735.2102 VDWAALS = -160.4551 > 1-4 NB = 81.3504 1-4 EEL = 711.8710 VDWAALS = -159.7841 98c98 < EELEC = -1541.1296 EGB = -687.1607 RESTRAINT = 0. > EELEC = -1556.6971 EGB = -1951.8053 RESTRAINT = 0. 99c99 < ESURF= 11.3730 > ESURF= 11.3732 101c101 < NSTEP = 7 TIME(PS) = 620.007 TEMP(K) = 313.60 PRESS = 0. > NSTEP = 7 TIME(PS) = 620.007 TEMP(K) = 323.88 PRESS = 0. 102c102 < Etot = -789.3416 EKtot = 323.7457 EPtot = -1113.0873 > Etot = -2076.7250 EKtot = 334.3551 EPtot = -2411.0801 103c103 < BOND = 85.3670 ANGLE = 220.5616 DIHED = 141.5815 > BOND = 87.2287 ANGLE = 237.1299 DIHED = 141.1501 104c104 < 1-4 NB = 81.1476 1-4 EEL = 736.1838 VDWAALS = -160.7814 > 1-4 NB = 81.6208 1-4 EEL = 704.7163 VDWAALS = -159.6658 105c105 < EELEC = -1540.7417 EGB = -687.7771 RESTRAINT = 0. > EELEC = -1562.3707 EGB = -1952.2611 RESTRAINT = 0. 106c106 < ESURF= 11.3715 > ESURF= 11.3718 108c108 < NSTEP = 8 TIME(PS) = 620.008 TEMP(K) = 314.64 PRESS = 0. > NSTEP = 8 TIME(PS) = 620.008 TEMP(K) = 326.33 PRESS = 0. 109c109 < Etot = -789.3546 EKtot = 324.8175 EPtot = -1114.1721 > Etot = -2084.2451 EKtot = 336.8806 EPtot = -2421.1257 110c110 < BOND = 84.5345 ANGLE = 220.0966 DIHED = 141.3404 > BOND = 87.7130 ANGLE = 241.4710 DIHED = 140.8427 111c111 < 1-4 NB = 81.2000 1-4 EEL = 737.2456 VDWAALS = -161.1660 > 1-4 NB = 81.7951 1-4 EEL = 697.2023 VDWAALS = -159.4941 112c112 < EELEC = -1540.3279 EGB = -688.4651 RESTRAINT = 0. > EELEC = -1568.8785 EGB = -1953.1477 RESTRAINT = 0. 113c113 < ESURF= 11.3698 > ESURF= 11.3705 115c115 < NSTEP = 9 TIME(PS) = 620.009 TEMP(K) = 315.76 PRESS = 0. > NSTEP = 9 TIME(PS) = 620.009 TEMP(K) = 328.98 PRESS = 0. 116c116 < Etot = -789.3905 EKtot = 325.9706 EPtot = -1115.3611 > Etot = -2092.8262 EKtot = 339.6188 EPtot = -2432.4451 117c117 < BOND = 84.7225 ANGLE = 218.4383 DIHED = 141.2738 > BOND = 89.8583 ANGLE = 244.0748 DIHED = 140.7728 118c118 < 1-4 NB = 81.0906 1-4 EEL = 738.2971 VDWAALS = -161.5380 > 1-4 NB = 81.8023 1-4 EEL = 689.5843 VDWAALS = -159.2285 119c119 < EELEC = -1539.8823 EGB = -689.1311 RESTRAINT = 0. > EELEC = -1576.1408 EGB = -1954.5375 RESTRAINT = 0. 120c120 < ESURF= 11.3679 > ESURF= 11.3692 122c122 < NSTEP = 10 TIME(PS) = 620.010 TEMP(K) = 316.42 PRESS = 0. > NSTEP = 10 TIME(PS) = 620.010 TEMP(K) = 331.41 PRESS = 0. 123c123 < Etot = -789.4330 EKtot = 326.6593 EPtot = -1116.0923 > Etot = -2102.4450 EKtot = 342.1298 EPtot = -2444.5748 124c124 < BOND = 86.1213 ANGLE = 215.8831 DIHED = 141.4061 > BOND = 93.9113 ANGLE = 244.8375 DIHED = 141.0010 125c125 < 1-4 NB = 80.8093 1-4 EEL = 739.2439 VDWAALS = -161.8308 > 1-4 NB = 81.6237 1-4 EEL = 682.0891 VDWAALS = -158.8431 126c126 < EELEC = -1539.3896 EGB = -689.7013 RESTRAINT = 0. > EELEC = -1584.0570 EGB = -1956.5051 RESTRAINT = 0. 127c127 < ESURF= 11.3657 > ESURF= 11.3676 130c130 < NSTEP = 10 TIME(PS) = 620.010 TEMP(K) = 310.72 PRESS = 0. > NSTEP = 10 TIME(PS) = 620.010 TEMP(K) = 318.46 PRESS = 0. 131c131 < Etot = -789.3946 EKtot = 320.7679 EPtot = -1110.1625 > Etot = -2072.0885 EKtot = 328.7604 EPtot = -2400.8489 132c132 < BOND = 88.0143 ANGLE = 221.2694 DIHED = 142.1327 > BOND = 90.0539 ANGLE = 233.0867 DIHED = 141.8681 133c133 < 1-4 NB = 80.9481 1-4 EEL = 735.6195 VDWAALS = -160.7051 > 1-4 NB = 81.2970 1-4 EEL = 712.3061 VDWAALS = -159.7739 134c134 < EELEC = -1541.1521 EGB = -687.6636 RESTRAINT = 0. > EELEC = -1557.9060 EGB = -1953.1555 RESTRAINT = 0. 135c135 < ESURF= 11.3743 > ESURF= 11.3747 138c138 < NSTEP = 10 TIME(PS) = 620.010 TEMP(K) = 5.20 PRESS = 0. > NSTEP = 10 TIME(PS) = 620.010 TEMP(K) = 9.72 PRESS = 0. 139c139 < Etot = 0.0396 EKtot = 5.3712 EPtot = 5.3718 > Etot = 15.6916 EKtot = 10.0295 EPtot = 25.0945 140c140 < BOND = 2.7062 ANGLE = 4.0570 DIHED = 0.6654 > BOND = 2.0112 ANGLE = 7.8531 DIHED = 0.8449 141c141 < 1-4 NB = 0.1760 1-4 EEL = 1.9212 VDWAALS = 0.5749 > 1-4 NB = 0.3711 1-4 EEL = 17.4224 VDWAALS = 0.4621 142c142 < EELEC = 0.9892 EGB = 1.0604 RESTRAINT = 0. > EELEC = 13.8033 EGB = 1.4290 RESTRAINT = 0. 143c143 < ESURF= 0.0056 > ESURF= 0.0051 ### Maximum absolute error in matching lines = 1.31e+03 at line 123 field 3 ### Maximum relative error in matching lines = 3.95e+02 at line 139 field 3 --------------------------------------- possible FAILURE: check mdout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/cnstph/implicit 70c70 < Etot = -4105.7166 EKtot = 1762.6242 EPtot = -5868.3408 > Etot = -11939.7372 EKtot = 1762.6242 EPtot = -13702.3614 73c73 < EELEC = -8583.6376 EGB = -1494.8938 RESTRAINT = 0. > EELEC = -8583.6376 EGB = -9328.9144 RESTRAINT = 0. 76c76 < Etot = -4347.4251 EKtot = 1520.9157 EPtot = -5868.3408 > Etot = -12181.4744 EKtot = 1520.8870 EPtot = -13702.3614 79c79 < EELEC = -8583.6376 EGB = -1494.8938 RESTRAINT = 0. > EELEC = -8583.6376 EGB = -9328.9144 RESTRAINT = 0. 81c81 < NSTEP = 2 TIME(PS) = 0.004 TEMP(K) = 249.89 PRESS = 0. > NSTEP = 2 TIME(PS) = 0.004 TEMP(K) = 253.66 PRESS = 0. 82c82 < Etot = -4413.2724 EKtot = 1238.2199 EPtot = -5651.4923 > Etot = -12257.0846 EKtot = 1256.9192 EPtot = -13514.0038 83c83 < BOND = 126.8641 ANGLE = 368.4571 DIHED = 844.5523 > BOND = 126.9839 ANGLE = 369.4715 DIHED = 844.0985 84c84 < 1-4 NB = 419.6958 1-4 EEL = 3754.8289 VDWAALS = -1092.9701 > 1-4 NB = 419.8853 1-4 EEL = 3738.9192 VDWAALS = -1093.9389 85c85 < EELEC = -8575.1102 EGB = -1497.8103 RESTRAINT = 0. > EELEC = -8589.9064 EGB = -9329.5169 RESTRAINT = 0. 87c87 < NSTEP = 3 TIME(PS) = 0.006 TEMP(K) = 170.83 PRESS = 0. > NSTEP = 3 TIME(PS) = 0.006 TEMP(K) = 181.26 PRESS = 0. 88c88 < Etot = -4386.0120 EKtot = 846.4681 EPtot = -5232.4801 > Etot = -12262.3418 EKtot = 898.1412 EPtot = -13160.4830 89c89 < BOND = 239.8420 ANGLE = 628.7733 DIHED = 878.1573 > BOND = 241.6286 ANGLE = 646.1194 DIHED = 876.4286 90c90 < 1-4 NB = 429.6878 1-4 EEL = 3744.9452 VDWAALS = -1085.6161 > 1-4 NB = 430.5302 1-4 EEL = 3684.0188 VDWAALS = -1088.1484 91c91 < EELEC = -8567.6124 EGB = -1500.6572 RESTRAINT = 0. > EELEC = -8623.5653 EGB = -9327.4948 RESTRAINT = 0. 93c93 < NSTEP = 4 TIME(PS) = 0.008 TEMP(K) = 127.15 PRESS = 0. > NSTEP = 4 TIME(PS) = 0.008 TEMP(K) = 141.37 PRESS = 0. 94c94 < Etot = -4378.5319 EKtot = 630.0403 EPtot = -5008.5722 > Etot = -12306.6090 EKtot = 700.5048 EPtot = -13007.1139 95c95 < BOND = 293.3796 ANGLE = 750.1196 DIHED = 917.7132 > BOND = 301.9803 ANGLE = 811.9116 DIHED = 914.3839 96c96 < 1-4 NB = 438.2819 1-4 EEL = 3738.8250 VDWAALS = -1079.4654 > 1-4 NB = 440.3352 1-4 EEL = 3612.9936 VDWAALS = -1081.2269 97c97 < EELEC = -8564.6506 EGB = -1502.7755 RESTRAINT = 0. > EELEC = -8682.2298 EGB = -9325.2618 RESTRAINT = 0. 99c99 < NSTEP = 5 TIME(PS) = 0.010 TEMP(K) = 140.47 PRESS = 0. > NSTEP = 5 TIME(PS) = 0.010 TEMP(K) = 155.35 PRESS = 0. 100c100 < Etot = -4410.3493 EKtot = 696.0610 EPtot = -5106.4103 > Etot = -12408.9838 EKtot = 769.7588 EPtot = -13178.7426 101c101 < BOND = 265.9162 ANGLE = 664.6884 DIHED = 949.7280 > BOND = 289.3159 ANGLE = 780.6762 DIHED = 945.3456 102c102 < 1-4 NB = 440.8973 1-4 EEL = 3770.0562 VDWAALS = -1077.2836 > 1-4 NB = 444.3159 1-4 EEL = 3573.3282 VDWAALS = -1074.8715 103c103 < EELEC = -8501.4393 EGB = -1618.9734 RESTRAINT = 0. > EELEC = -8695.4169 EGB = -9441.4360 RESTRAINT = 0. 105c105 < NSTEP = 6 TIME(PS) = 0.012 TEMP(K) = 170.25 PRESS = 0. > NSTEP = 6 TIME(PS) = 0.012 TEMP(K) = 187.05 PRESS = 0. 106c106 < Etot = -4424.4117 EKtot = 843.5993 EPtot = -5268.0110 > Etot = -12515.6589 EKtot = 926.8291 EPtot = -13442.4880 107c107 < BOND = 229.1723 ANGLE = 527.5323 DIHED = 966.8663 > BOND = 275.7952 ANGLE = 671.1587 DIHED = 962.9350 108c108 < 1-4 NB = 439.8216 1-4 EEL = 3771.3266 VDWAALS = -1077.4399 > 1-4 NB = 443.9680 1-4 EEL = 3511.0818 VDWAALS = -1069.4800 109c109 < EELEC = -8505.8012 EGB = -1619.4891 RESTRAINT = 0. > EELEC = -8787.4288 EGB = -9450.5179 RESTRAINT = 0. 111c111 < NSTEP = 7 TIME(PS) = 0.014 TEMP(K) = 174.93 PRESS = 0. > NSTEP = 7 TIME(PS) = 0.014 TEMP(K) = 196.89 PRESS = 0. 112c112 < Etot = -4422.1253 EKtot = 866.7740 EPtot = -5288.8993 > Etot = -12628.0620 EKtot = 975.6194 EPtot = -13603.6815 113c113 < BOND = 235.2632 ANGLE = 500.0906 DIHED = 968.5357 > BOND = 312.4875 ANGLE = 630.9372 DIHED = 967.3028 114c114 < 1-4 NB = 440.1206 1-4 EEL = 3773.3852 VDWAALS = -1076.6938 > 1-4 NB = 443.9087 1-4 EEL = 3464.1684 VDWAALS = -1064.2602 115c115 < EELEC = -8510.0001 EGB = -1619.6007 RESTRAINT = 0. > EELEC = -8887.2297 EGB = -9470.9961 RESTRAINT = 0. 117c117 < NSTEP = 8 TIME(PS) = 0.016 TEMP(K) = 156.55 PRESS = 0. > NSTEP = 8 TIME(PS) = 0.016 TEMP(K) = 183.52 PRESS = 0. 118c118 < Etot = -4410.6183 EKtot = 775.7203 EPtot = -5186.3386 > Etot = -12748.9341 EKtot = 909.3701 EPtot = -13658.3041 119c119 < BOND = 254.1149 ANGLE = 588.0848 DIHED = 958.4376 > BOND = 366.8487 ANGLE = 689.3291 DIHED = 962.3893 120c120 < 1-4 NB = 443.8034 1-4 EEL = 3774.9579 VDWAALS = -1073.8121 > 1-4 NB = 446.2876 1-4 EEL = 3429.9485 VDWAALS = -1058.1258 121c121 < EELEC = -8512.9009 EGB = -1619.0242 RESTRAINT = 0. > EELEC = -8990.6445 EGB = -9504.3370 RESTRAINT = 0. 123c123 < NSTEP = 9 TIME(PS) = 0.018 TEMP(K) = 143.91 PRESS = 0. > NSTEP = 9 TIME(PS) = 0.018 TEMP(K) = 172.02 PRESS = 0. 124c124 < Etot = -4404.9823 EKtot = 713.0625 EPtot = -5118.0448 > Etot = -12875.1374 EKtot = 852.3683 EPtot = -13727.5057 125c125 < BOND = 237.4848 ANGLE = 680.3323 DIHED = 942.0204 > BOND = 384.3827 ANGLE = 768.3915 DIHED = 953.1461 126c126 < 1-4 NB = 448.7558 1-4 EEL = 3775.4565 VDWAALS = -1070.1714 > 1-4 NB = 449.5158 1-4 EEL = 3356.3095 VDWAALS = -1050.4636 127c127 < EELEC = -8514.1564 EGB = -1617.7669 RESTRAINT = 0. > EELEC = -8985.1900 EGB = -9603.5978 RESTRAINT = 0. 129c129 < NSTEP = 10 TIME(PS) = 0.020 TEMP(K) = 151.38 PRESS = 0. > NSTEP = 10 TIME(PS) = 0.020 TEMP(K) = 178.21 PRESS = 0. 130c130 < Etot = -4409.3676 EKtot = 750.0745 EPtot = -5159.4422 > Etot = -13027.4986 EKtot = 883.0319 EPtot = -13910.5305 131c131 < BOND = 198.3331 ANGLE = 688.7819 DIHED = 924.9427 > BOND = 367.6816 ANGLE = 790.6485 DIHED = 944.0857 132c132 < 1-4 NB = 451.5454 1-4 EEL = 3774.6647 VDWAALS = -1067.8394 > 1-4 NB = 450.8050 1-4 EEL = 3321.8862 VDWAALS = -1041.2276 133c133 < EELEC = -8513.4589 EGB = -1616.4116 RESTRAINT = 0. > EELEC = -9088.2954 EGB = -9656.1144 RESTRAINT = 0. 135c135 < NSTEP = 11 TIME(PS) = 0.022 TEMP(K) = 165.98 PRESS = 0. > NSTEP = 11 TIME(PS) = 0.022 TEMP(K) = 193.64 PRESS = 0. 136c136 < Etot = -4388.3936 EKtot = 822.4621 EPtot = -5210.8556 > Etot = -13160.6560 EKtot = 959.4900 EPtot = -14120.1460 137c137 < BOND = 188.3409 ANGLE = 631.8642 DIHED = 912.1635 > BOND = 359.9408 ANGLE = 764.9992 DIHED = 938.8276 138c138 < 1-4 NB = 450.9608 1-4 EEL = 3726.4056 VDWAALS = -1067.3982 > 1-4 NB = 449.5266 1-4 EEL = 3276.3536 VDWAALS = -1030.4311 139c139 < EELEC = -8435.5156 EGB = -1617.6768 RESTRAINT = 0. > EELEC = -9190.1756 EGB = -9689.1871 RESTRAINT = 0. 141c141 < NSTEP = 12 TIME(PS) = 0.024 TEMP(K) = 169.61 PRESS = 0. > NSTEP = 12 TIME(PS) = 0.024 TEMP(K) = 201.27 PRESS = 0. 142c142 < Etot = -4387.5899 EKtot = 840.4313 EPtot = -5228.0212 > Etot = -13254.7658 EKtot = 997.3058 EPtot = -14252.0716 143c143 < BOND = 218.3895 ANGLE = 591.4616 DIHED = 906.8743 > BOND = 373.3670 ANGLE = 768.3237 DIHED = 939.7178 144c144 < 1-4 NB = 448.7207 1-4 EEL = 3724.7549 VDWAALS = -1067.9053 > 1-4 NB = 448.0841 1-4 EEL = 3219.0834 VDWAALS = -1017.6779 145c145 < EELEC = -8434.2226 EGB = -1616.0944 RESTRAINT = 0. > EELEC = -9291.8493 EGB = -9691.1204 RESTRAINT = 0. 147c147 < NSTEP = 13 TIME(PS) = 0.026 TEMP(K) = 161.82 PRESS = 0. > NSTEP = 13 TIME(PS) = 0.026 TEMP(K) = 196.97 PRESS = 0. 148c148 < Etot = -4382.1900 EKtot = 801.8116 EPtot = -5184.0016 > Etot = -13361.3041 EKtot = 976.0123 EPtot = -14337.3164 149c149 < BOND = 244.6206 ANGLE = 608.2281 DIHED = 909.5106 > BOND = 375.1011 ANGLE = 845.4503 DIHED = 947.2142 150c150 < 1-4 NB = 446.8930 1-4 EEL = 3724.5064 VDWAALS = -1068.7625 > 1-4 NB = 449.3412 1-4 EEL = 3155.9555 VDWAALS = -1002.5843 151c151 < EELEC = -8435.4439 EGB = -1613.5539 RESTRAINT = 0. > EELEC = -9394.2615 EGB = -9713.5329 RESTRAINT = 0. 153c153 < NSTEP = 14 TIME(PS) = 0.028 TEMP(K) = 154.69 PRESS = 0. > NSTEP = 14 TIME(PS) = 0.028 TEMP(K) = 189.76 PRESS = 0. 154c154 < Etot = -4379.8413 EKtot = 766.4974 EPtot = -5146.3387 > Etot = -13437.2301 EKtot = 940.2952 EPtot = -14377.5253 155c155 < BOND = 234.2667 ANGLE = 649.3207 DIHED = 917.8722 > BOND = 344.6737 ANGLE = 956.6677 DIHED = 959.8201 156c156 < 1-4 NB = 445.8679 1-4 EEL = 3726.0770 VDWAALS = -1070.3961 > 1-4 NB = 453.4799 1-4 EEL = 3098.2742 VDWAALS = -986.0420 157c157 < EELEC = -8439.2872 EGB = -1610.0599 RESTRAINT = 0. > EELEC = -9496.2181 EGB = -9708.1808 RESTRAINT = 0. 159c159 < NSTEP = 15 TIME(PS) = 0.030 TEMP(K) = 153.62 PRESS = 0. > NSTEP = 15 TIME(PS) = 0.030 TEMP(K) = 186.87 PRESS = 0. 160c160 < Etot = -4380.7395 EKtot = 761.2063 EPtot = -5141.9457 > Etot = -13518.7781 EKtot = 925.9395 EPtot = -14444.7176 161c161 < BOND = 208.2090 ANGLE = 671.3871 DIHED = 928.6774 > BOND = 308.6690 ANGLE = 1030.9595 DIHED = 975.0925 162c162 < 1-4 NB = 444.7646 1-4 EEL = 3728.5279 VDWAALS = -1073.2875 > 1-4 NB = 456.8929 1-4 EEL = 3058.7938 VDWAALS = -969.6616 163c163 < EELEC = -8443.7279 EGB = -1606.4964 RESTRAINT = 0. > EELEC = -9596.0296 EGB = -9709.4341 RESTRAINT = 0. 165c165 < NSTEP = 16 TIME(PS) = 0.032 TEMP(K) = 155.68 PRESS = 0. > NSTEP = 16 TIME(PS) = 0.032 TEMP(K) = 188.96 PRESS = 0. 166c166 < Etot = -4379.8535 EKtot = 771.4254 EPtot = -5151.2789 > Etot = -13594.2366 EKtot = 936.2916 EPtot = -14530.5282 167c167 < BOND = 202.3120 ANGLE = 661.5139 DIHED = 939.0926 > BOND = 301.1006 ANGLE = 1031.9235 DIHED = 990.8440 168c168 < 1-4 NB = 442.7525 1-4 EEL = 3730.5181 VDWAALS = -1077.1161 > 1-4 NB = 455.2599 1-4 EEL = 3044.6277 VDWAALS = -948.1039 169c169 < EELEC = -8446.5043 EGB = -1603.8475 RESTRAINT = 0. > EELEC = -9692.4175 EGB = -9713.7625 RESTRAINT = 0. 171c171 < NSTEP = 17 TIME(PS) = 0.034 TEMP(K) = 160.88 PRESS = 0. > NSTEP = 17 TIME(PS) = 0.034 TEMP(K) = 195.95 PRESS = 0. 172c172 < Etot = -4378.3711 EKtot = 797.1461 EPtot = -5175.5172 > Etot = -13660.8362 EKtot = 970.9651 EPtot = -14631.8013 173c173 < BOND = 215.0768 ANGLE = 621.1668 DIHED = 946.8978 > BOND = 315.7279 ANGLE = 970.1469 DIHED = 1005.1277 174c174 < 1-4 NB = 439.9227 1-4 EEL = 3731.3433 VDWAALS = -1080.7001 > 1-4 NB = 448.7715 1-4 EEL = 3051.5561 VDWAALS = -919.3269 175c175 < EELEC = -8446.5741 EGB = -1602.6504 RESTRAINT = 0. > EELEC = -9783.9108 EGB = -9719.8936 RESTRAINT = 0. 177c177 < NSTEP = 18 TIME(PS) = 0.036 TEMP(K) = 169.67 PRESS = 0. > NSTEP = 18 TIME(PS) = 0.036 TEMP(K) = 205.41 PRESS = 0. 178c178 < Etot = -4380.7547 EKtot = 840.7275 EPtot = -5221.4822 > Etot = -13735.3799 EKtot = 1017.8374 EPtot = -14753.2172 179c179 < BOND = 219.4592 ANGLE = 570.4640 DIHED = 950.1555 > BOND = 322.5277 ANGLE = 896.4354 DIHED = 1015.5751 180c180 < 1-4 NB = 437.3174 1-4 EEL = 3730.9493 VDWAALS = -1082.9049 > 1-4 NB = 441.3141 1-4 EEL = 3066.2176 VDWAALS = -899.5411 181c181 < EELEC = -8443.8736 EGB = -1603.0492 RESTRAINT = 0. > EELEC = -9869.8507 EGB = -9725.8953 RESTRAINT = 0. 183c183 < NSTEP = 19 TIME(PS) = 0.038 TEMP(K) = 173.68 PRESS = 0. > NSTEP = 19 TIME(PS) = 0.038 TEMP(K) = 208.18 PRESS = 0. 184c184 < Etot = -4395.4490 EKtot = 860.6019 EPtot = -5256.0509 > Etot = -13827.2668 EKtot = 1031.5255 EPtot = -14858.7923 185c185 < BOND = 209.8506 ANGLE = 560.1666 DIHED = 947.6586 > BOND = 315.2928 ANGLE = 880.3337 DIHED = 1019.7321 186c186 < 1-4 NB = 436.0189 1-4 EEL = 3764.9520 VDWAALS = -1083.5416 > 1-4 NB = 436.1700 1-4 EEL = 3073.7186 VDWAALS = -893.4923 187c187 < EELEC = -8370.3668 EGB = -1720.7893 RESTRAINT = 0. > EELEC = -9953.2357 EGB = -9737.3113 RESTRAINT = 0. 189c189 < NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 165.49 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 198.91 PRESS = 0. 190c190 < Etot = -4391.3772 EKtot = 819.9894 EPtot = -5211.3667 > Etot = -13913.2573 EKtot = 985.6035 EPtot = -14898.8608 191c191 < BOND = 207.2324 ANGLE = 613.9404 DIHED = 939.6915 > BOND = 314.7823 ANGLE = 944.1016 DIHED = 1016.3528 192c192 < 1-4 NB = 436.0199 1-4 EEL = 3762.8594 VDWAALS = -1083.2467 > 1-4 NB = 434.4270 1-4 EEL = 3063.8422 VDWAALS = -886.3152 193c193 < EELEC = -8363.6431 EGB = -1724.2205 RESTRAINT = 0. > EELEC = -10039.8249 EGB = -9746.2266 RESTRAINT = 0. 195c195 < NSTEP = 21 TIME(PS) = 0.042 TEMP(K) = 154.66 PRESS = 0. > NSTEP = 21 TIME(PS) = 0.042 TEMP(K) = 188.51 PRESS = 0. 196c196 < Etot = -4384.3935 EKtot = 766.3609 EPtot = -5150.7544 > Etot = -14015.6280 EKtot = 934.0919 EPtot = -14949.7199 197c197 < BOND = 221.1766 ANGLE = 671.4859 DIHED = 928.5155 > BOND = 330.0183 ANGLE = 1023.6981 DIHED = 1006.7588 198c198 < 1-4 NB = 436.0882 1-4 EEL = 3761.0276 VDWAALS = -1082.7981 > 1-4 NB = 435.4826 1-4 EEL = 3033.8123 VDWAALS = -873.5564 199c199 < EELEC = -8358.4029 EGB = -1727.8474 RESTRAINT = 0. > EELEC = -10135.2346 EGB = -9770.6990 RESTRAINT = 0. 201c201 < NSTEP = 22 TIME(PS) = 0.044 TEMP(K) = 157.45 PRESS = 0. > NSTEP = 22 TIME(PS) = 0.044 TEMP(K) = 192.18 PRESS = 0. 202c202 < Etot = -4384.3433 EKtot = 780.1856 EPtot = -5164.5289 > Etot = -14122.0889 EKtot = 952.2698 EPtot = -15074.3587 203c203 < BOND = 234.6875 ANGLE = 657.3123 DIHED = 918.2175 > BOND = 344.2963 ANGLE = 1044.9635 DIHED = 995.2467 204c204 < 1-4 NB = 434.9020 1-4 EEL = 3760.3665 VDWAALS = -1082.4803 > 1-4 NB = 437.7597 1-4 EEL = 2988.6623 VDWAALS = -856.5909 205c205 < EELEC = -8357.1747 EGB = -1730.3597 RESTRAINT = 0. > EELEC = -10243.0419 EGB = -9785.6544 RESTRAINT = 0. 207c207 < NSTEP = 23 TIME(PS) = 0.046 TEMP(K) = 172.03 PRESS = 0. > NSTEP = 23 TIME(PS) = 0.046 TEMP(K) = 207.30 PRESS = 0. 208c208 < Etot = -4390.6493 EKtot = 852.4435 EPtot = -5243.0928 > Etot = -14254.1759 EKtot = 1027.1906 EPtot = -15281.3665 209c209 < BOND = 232.9990 ANGLE = 590.5963 DIHED = 913.2700 > BOND = 345.0808 ANGLE = 1019.6231 DIHED = 987.4385 210c210 < 1-4 NB = 432.2215 1-4 EEL = 3760.6460 VDWAALS = -1081.7599 > 1-4 NB = 439.2652 1-4 EEL = 2932.4640 VDWAALS = -834.8185 211c211 < EELEC = -8360.1741 EGB = -1730.8916 RESTRAINT = 0. > EELEC = -10347.9594 EGB = -9822.4603 RESTRAINT = 0. 213c213 < NSTEP = 24 TIME(PS) = 0.048 TEMP(K) = 180.07 PRESS = 0. > NSTEP = 24 TIME(PS) = 0.048 TEMP(K) = 216.44 PRESS = 0. 214c214 < Etot = -4393.3696 EKtot = 892.2379 EPtot = -5285.6076 > Etot = -14382.5693 EKtot = 1072.4772 EPtot = -15455.0464 215c215 < BOND = 225.8164 ANGLE = 557.5501 DIHED = 916.0942 > BOND = 345.4344 ANGLE = 1013.2342 DIHED = 987.1547 216c216 < 1-4 NB = 428.9489 1-4 EEL = 3760.5493 VDWAALS = -1079.9157 > 1-4 NB = 438.8263 1-4 EEL = 2892.1081 VDWAALS = -809.2530 217c217 < EELEC = -8365.0948 EGB = -1729.5559 RESTRAINT = 0. > EELEC = -10479.4029 EGB = -9843.1481 RESTRAINT = 0. 219c219 < NSTEP = 25 TIME(PS) = 0.050 TEMP(K) = 172.10 PRESS = 0. > NSTEP = 25 TIME(PS) = 0.050 TEMP(K) = 211.04 PRESS = 0. 220c220 < Etot = -4403.2557 EKtot = 852.7827 EPtot = -5256.0384 > Etot = -14517.2292 EKtot = 1045.7101 EPtot = -15562.9393 221c221 < BOND = 228.8792 ANGLE = 591.9582 DIHED = 925.2807 > BOND = 362.5333 ANGLE = 1043.3340 DIHED = 994.1687 222c222 < 1-4 NB = 426.2595 1-4 EEL = 3792.5110 VDWAALS = -1077.1700 > 1-4 NB = 435.8996 1-4 EEL = 2871.5129 VDWAALS = -783.7966 223c223 < EELEC = -8280.1053 EGB = -1863.6518 RESTRAINT = 0. > EELEC = -10615.3938 EGB = -9871.1975 RESTRAINT = 0. 225c225 < NSTEP = 26 TIME(PS) = 0.052 TEMP(K) = 158.35 PRESS = 0. > NSTEP = 26 TIME(PS) = 0.052 TEMP(K) = 199.94 PRESS = 0. 226c226 < Etot = -4397.5208 EKtot = 784.6222 EPtot = -5182.1430 > Etot = -14654.6457 EKtot = 990.7183 EPtot = -15645.3640 227c227 < BOND = 238.2367 ANGLE = 646.1221 DIHED = 936.1222 > BOND = 389.7255 ANGLE = 1068.1537 DIHED = 1004.6016 228c228 < 1-4 NB = 424.7714 1-4 EEL = 3789.8661 VDWAALS = -1074.8055 > 1-4 NB = 430.7190 1-4 EEL = 2872.9385 VDWAALS = -757.6011 229c229 < EELEC = -8282.0119 EGB = -1860.4441 RESTRAINT = 0. > EELEC = -10750.1323 EGB = -9903.7689 RESTRAINT = 0. 231c231 < NSTEP = 27 TIME(PS) = 0.054 TEMP(K) = 153.14 PRESS = 0. > NSTEP = 27 TIME(PS) = 0.054 TEMP(K) = 194.76 PRESS = 0. 232c232 < Etot = -4396.2631 EKtot = 758.8318 EPtot = -5155.0949 > Etot = -14800.8003 EKtot = 965.0482 EPtot = -15765.8485 233c233 < BOND = 238.1769 ANGLE = 666.4511 DIHED = 943.3170 > BOND = 406.1082 ANGLE = 1057.8988 DIHED = 1013.4542 234c234 < 1-4 NB = 424.2287 1-4 EEL = 3785.9216 VDWAALS = -1073.9671 > 1-4 NB = 425.0484 1-4 EEL = 2888.7773 VDWAALS = -725.2808 235c235 < EELEC = -8280.9232 EGB = -1858.2998 RESTRAINT = 0. > EELEC = -10880.1990 EGB = -9951.6555 RESTRAINT = 0. 237c237 < NSTEP = 28 TIME(PS) = 0.056 TEMP(K) = 158.78 PRESS = 0. > NSTEP = 28 TIME(PS) = 0.056 TEMP(K) = 197.51 PRESS = 0. 238c238 < Etot = -4398.7071 EKtot = 786.7647 EPtot = -5185.4718 > Etot = -14944.9592 EKtot = 978.6615 EPtot = -15923.6207 239c239 < BOND = 227.0739 ANGLE = 648.3963 DIHED = 943.9264 > BOND = 405.6929 ANGLE = 1025.0094 DIHED = 1017.2676 240c240 < 1-4 NB = 423.7192 1-4 EEL = 3781.0355 VDWAALS = -1074.7158 > 1-4 NB = 419.9053 1-4 EEL = 2906.5217 VDWAALS = -696.3122 241c241 < EELEC = -8276.9327 EGB = -1857.9748 RESTRAINT = 0. > EELEC = -11005.5624 EGB = -9996.1428 RESTRAINT = 0. 243c243 < NSTEP = 29 TIME(PS) = 0.058 TEMP(K) = 166.81 PRESS = 0. > NSTEP = 29 TIME(PS) = 0.058 TEMP(K) = 202.72 PRESS = 0. 244c244 < Etot = -4400.6421 EKtot = 826.5579 EPtot = -5227.1999 > Etot = -15100.0296 EKtot = 1004.4689 EPtot = -16104.4986 245c245 < BOND = 219.3917 ANGLE = 623.6044 DIHED = 938.6838 > BOND = 401.1303 ANGLE = 998.6051 DIHED = 1015.5230 246c246 < 1-4 NB = 422.4420 1-4 EEL = 3775.5597 VDWAALS = -1076.1570 > 1-4 NB = 415.0141 1-4 EEL = 2915.7969 VDWAALS = -673.8697 247c247 < EELEC = -8270.9911 EGB = -1859.7335 RESTRAINT = 0. > EELEC = -11127.9130 EGB = -10048.7853 RESTRAINT = 0. 249c249 < NSTEP = 30 TIME(PS) = 0.060 TEMP(K) = 169.87 PRESS = 0. > NSTEP = 30 TIME(PS) = 0.060 TEMP(K) = 205.76 PRESS = 0. 250c250 < Etot = -4399.2598 EKtot = 841.7351 EPtot = -5240.9949 > Etot = -15253.1124 EKtot = 1019.5341 EPtot = -16272.6465 251c251 < BOND = 223.0040 ANGLE = 619.7423 DIHED = 930.9323 > BOND = 400.8738 ANGLE = 997.9312 DIHED = 1010.1656 252c252 < 1-4 NB = 420.4039 1-4 EEL = 3770.2419 VDWAALS = -1077.1229 > 1-4 NB = 410.3512 1-4 EEL = 2912.3869 VDWAALS = -648.9574 253c253 < EELEC = -8265.3146 EGB = -1862.8819 RESTRAINT = 0. > EELEC = -11251.0276 EGB = -10104.3701 RESTRAINT = 0. 255c255 < NSTEP = 31 TIME(PS) = 0.062 TEMP(K) = 169.54 PRESS = 0. > NSTEP = 31 TIME(PS) = 0.062 TEMP(K) = 207.46 PRESS = 0. 256c256 < Etot = -4396.3480 EKtot = 840.0603 EPtot = -5236.4083 > Etot = -15403.3813 EKtot = 1028.0015 EPtot = -16431.3828 257c257 < BOND = 228.9071 ANGLE = 631.4398 DIHED = 924.1380 > BOND = 398.4138 ANGLE = 1019.0934 DIHED = 1003.7795 258c258 < 1-4 NB = 418.3375 1-4 EEL = 3766.0372 VDWAALS = -1076.9724 > 1-4 NB = 406.6860 1-4 EEL = 2898.5628 VDWAALS = -622.3089 259c259 < EELEC = -8262.1994 EGB = -1866.0960 RESTRAINT = 0. > EELEC = -11378.1518 EGB = -10157.4576 RESTRAINT = 0. 261c261 < NSTEP = 32 TIME(PS) = 0.064 TEMP(K) = 171.36 PRESS = 0. > NSTEP = 32 TIME(PS) = 0.064 TEMP(K) = 210.60 PRESS = 0. 262c262 < Etot = -4396.0667 EKtot = 849.0936 EPtot = -5245.1603 > Etot = -15538.8011 EKtot = 1043.5396 EPtot = -16582.3407 263c263 < BOND = 227.8525 ANGLE = 632.8905 DIHED = 920.0094 > BOND = 388.4740 ANGLE = 1041.3433 DIHED = 997.9739 264c264 < 1-4 NB = 417.0193 1-4 EEL = 3763.3608 VDWAALS = -1075.9188 > 1-4 NB = 404.7308 1-4 EEL = 2881.2976 VDWAALS = -592.6935 265c265 < EELEC = -8262.0407 EGB = -1868.3334 RESTRAINT = 0. > EELEC = -11510.4750 EGB = -10192.9920 RESTRAINT = 0. 267c267 < NSTEP = 33 TIME(PS) = 0.066 TEMP(K) = 174.35 PRESS = 0. > NSTEP = 33 TIME(PS) = 0.066 TEMP(K) = 212.97 PRESS = 0. 268c268 < Etot = -4338.0841 EKtot = 863.9080 EPtot = -5201.9921 > Etot = -15641.3887 EKtot = 1055.2711 EPtot = -16696.6598 269c269 < BOND = 225.7425 ANGLE = 622.9021 DIHED = 918.3475 > BOND = 380.9300 ANGLE = 1056.3126 DIHED = 992.9239 270c270 < 1-4 NB = 416.4927 1-4 EEL = 3766.5294 VDWAALS = -1074.7806 > 1-4 NB = 404.2377 1-4 EEL = 2874.3808 VDWAALS = -547.3109 271c271 < EELEC = -8053.9735 EGB = -2023.2522 RESTRAINT = 0. > EELEC = -11493.8357 EGB = -10364.2981 RESTRAINT = 0. 273c273 < NSTEP = 34 TIME(PS) = 0.068 TEMP(K) = 172.48 PRESS = 0. > NSTEP = 34 TIME(PS) = 0.068 TEMP(K) = 209.92 PRESS = 0. 274c274 < Etot = -4337.1297 EKtot = 854.6264 EPtot = -5191.7562 > Etot = -15741.1486 EKtot = 1040.1665 EPtot = -16781.3150 275c275 < BOND = 233.7451 ANGLE = 627.0940 DIHED = 917.9956 > BOND = 388.5288 ANGLE = 1071.6031 DIHED = 987.8911 276c276 < 1-4 NB = 415.8950 1-4 EEL = 3764.9107 VDWAALS = -1074.2207 > 1-4 NB = 403.9408 1-4 EEL = 2875.6055 VDWAALS = -477.8727 277c277 < EELEC = -8054.0612 EGB = -2023.1148 RESTRAINT = 0. > EELEC = -11627.5593 EGB = -10403.4524 RESTRAINT = 0. 279c279 < NSTEP = 35 TIME(PS) = 0.070 TEMP(K) = 167.01 PRESS = 0. > NSTEP = 35 TIME(PS) = 0.070 TEMP(K) = 204.42 PRESS = 0. 280c280 < Etot = -4324.5316 EKtot = 827.5522 EPtot = -5152.0838 > Etot = -15837.7584 EKtot = 1012.9074 EPtot = -16850.6658 281c281 < BOND = 249.4070 ANGLE = 644.0778 DIHED = 917.9226 > BOND = 407.2296 ANGLE = 1074.7189 DIHED = 982.1959 282c282 < 1-4 NB = 414.2708 1-4 EEL = 3711.9795 VDWAALS = -1074.1856 > 1-4 NB = 402.5466 1-4 EEL = 2892.8379 VDWAALS = -418.7047 283c283 < EELEC = -7858.7373 EGB = -2156.8185 RESTRAINT = 0. > EELEC = -11758.1933 EGB = -10433.2966 RESTRAINT = 0. 285c285 < NSTEP = 36 TIME(PS) = 0.072 TEMP(K) = 166.59 PRESS = 0. > NSTEP = 36 TIME(PS) = 0.072 TEMP(K) = 205.18 PRESS = 0. 286c286 < Etot = -4323.2408 EKtot = 825.4752 EPtot = -5148.7161 > Etot = -15927.5165 EKtot = 1016.6555 EPtot = -16944.1720 287c287 < BOND = 258.1768 ANGLE = 640.7190 DIHED = 917.5282 > BOND = 419.4927 ANGLE = 1038.0149 DIHED = 975.6097 288c288 < 1-4 NB = 411.5737 1-4 EEL = 3709.3866 VDWAALS = -1074.3399 > 1-4 NB = 399.9755 1-4 EEL = 2922.1404 VDWAALS = -382.1734 289c289 < EELEC = -7854.4846 EGB = -2157.2758 RESTRAINT = 0. > EELEC = -11853.4336 EGB = -10463.7980 RESTRAINT = 0. 291c291 < NSTEP = 37 TIME(PS) = 0.074 TEMP(K) = 172.87 PRESS = 0. > NSTEP = 37 TIME(PS) = 0.074 TEMP(K) = 213.06 PRESS = 0. 292c292 < Etot = -4325.8270 EKtot = 856.5757 EPtot = -5182.4027 > Etot = -16006.7171 EKtot = 1055.7432 EPtot = -17062.4604 293c293 < BOND = 250.8924 ANGLE = 616.3925 DIHED = 916.7059 > BOND = 414.3293 ANGLE = 974.4418 DIHED = 968.2625 294c294 < 1-4 NB = 408.7702 1-4 EEL = 3706.3469 VDWAALS = -1074.4953 > 1-4 NB = 397.4838 1-4 EEL = 2956.0665 VDWAALS = -341.4533 295c295 < EELEC = -7848.4969 EGB = -2158.5186 RESTRAINT = 0. > EELEC = -11935.4177 EGB = -10496.1732 RESTRAINT = 0. 297c297 < NSTEP = 38 TIME(PS) = 0.076 TEMP(K) = 177.77 PRESS = 0. > NSTEP = 38 TIME(PS) = 0.076 TEMP(K) = 219.41 PRESS = 0. 298c298 < Etot = -4326.7617 EKtot = 880.8746 EPtot = -5207.6364 > Etot = -16065.5397 EKtot = 1087.1733 EPtot = -17152.7129 299c299 < BOND = 233.2096 ANGLE = 610.1579 DIHED = 915.6369 > BOND = 396.8513 ANGLE = 935.6057 DIHED = 960.4994 300c300 < 1-4 NB = 406.8428 1-4 EEL = 3703.0150 VDWAALS = -1074.5531 > 1-4 NB = 396.4926 1-4 EEL = 2985.6642 VDWAALS = -292.5165 301c301 < EELEC = -7841.3901 EGB = -2160.5555 RESTRAINT = 0. > EELEC = -12011.3335 EGB = -10523.9761 RESTRAINT = 0. 303c303 < NSTEP = 39 TIME(PS) = 0.078 TEMP(K) = 176.90 PRESS = 0. > NSTEP = 39 TIME(PS) = 0.078 TEMP(K) = 219.41 PRESS = 0. 304c304 < Etot = -4324.4116 EKtot = 876.5573 EPtot = -5200.9689 > Etot = -16120.7958 EKtot = 1087.1681 EPtot = -17207.9638 305c305 < BOND = 219.1540 ANGLE = 631.4204 DIHED = 914.5075 > BOND = 379.9323 ANGLE = 940.2238 DIHED = 952.8988 306c306 < 1-4 NB = 405.9559 1-4 EEL = 3700.1750 VDWAALS = -1074.3281 > 1-4 NB = 397.5695 1-4 EEL = 3005.0456 VDWAALS = -248.4739 307c307 < EELEC = -7835.1133 EGB = -2162.7403 RESTRAINT = 0. > EELEC = -12083.3522 EGB = -10551.8077 RESTRAINT = 0. 309c309 < NSTEP = 40 TIME(PS) = 0.080 TEMP(K) = 173.95 PRESS = 0. > NSTEP = 40 TIME(PS) = 0.080 TEMP(K) = 216.98 PRESS = 0. 310c310 < Etot = -4323.0989 EKtot = 861.9273 EPtot = -5185.0262 > Etot = -16234.5849 EKtot = 1075.1555 EPtot = -17309.7405 311c311 < BOND = 220.1857 ANGLE = 646.4399 DIHED = 913.5636 > BOND = 373.1933 ANGLE = 956.8636 DIHED = 946.3401 312c312 < 1-4 NB = 405.6455 1-4 EEL = 3699.0467 VDWAALS = -1073.4818 > 1-4 NB = 400.2644 1-4 EEL = 3012.7704 VDWAALS = -198.4413 313c313 < EELEC = -7832.3214 EGB = -2164.1044 RESTRAINT = 0. > EELEC = -12154.3742 EGB = -10646.3567 RESTRAINT = 0. 315c315 < NSTEP = 41 TIME(PS) = 0.082 TEMP(K) = 170.96 PRESS = 0. > NSTEP = 41 TIME(PS) = 0.082 TEMP(K) = 214.63 PRESS = 0. 316c316 < Etot = -4323.5051 EKtot = 847.1150 EPtot = -5170.6201 > Etot = -16226.5160 EKtot = 1063.5201 EPtot = -17290.0361 317c317 < BOND = 237.3392 ANGLE = 643.1959 DIHED = 913.3201 > BOND = 378.6656 ANGLE = 968.0303 DIHED = 941.7915 318c318 < 1-4 NB = 405.3950 1-4 EEL = 3700.0875 VDWAALS = -1071.8641 > 1-4 NB = 403.4645 1-4 EEL = 3010.8758 VDWAALS = -154.7076 319c319 < EELEC = -7834.1105 EGB = -2163.9833 RESTRAINT = 0. > EELEC = -12223.3327 EGB = -10614.8234 RESTRAINT = 0. 321c321 < NSTEP = 42 TIME(PS) = 0.084 TEMP(K) = 166.37 PRESS = 0. > NSTEP = 42 TIME(PS) = 0.084 TEMP(K) = 210.12 PRESS = 0. 322c322 < Etot = -4321.8892 EKtot = 824.3843 EPtot = -5146.2735 > Etot = -16291.9729 EKtot = 1041.1528 EPtot = -17333.1257 323c323 < BOND = 257.9523 ANGLE = 645.7360 DIHED = 914.2175 > BOND = 389.9067 ANGLE = 990.9392 DIHED = 939.7394 324c324 < 1-4 NB = 404.7862 1-4 EEL = 3702.2266 VDWAALS = -1069.8937 > 1-4 NB = 405.9259 1-4 EEL = 3003.4592 VDWAALS = -120.6915 325c325 < EELEC = -7838.8072 EGB = -2162.4911 RESTRAINT = 0. > EELEC = -12291.9613 EGB = -10650.4434 RESTRAINT = 0. 327c327 < NSTEP = 43 TIME(PS) = 0.086 TEMP(K) = 163.13 PRESS = 0. > NSTEP = 43 TIME(PS) = 0.086 TEMP(K) = 205.42 PRESS = 0. 328c328 < Etot = -4328.9846 EKtot = 808.3137 EPtot = -5137.2983 > Etot = -16371.5854 EKtot = 1017.8842 EPtot = -17389.4696 329c329 < BOND = 263.9348 ANGLE = 657.5538 DIHED = 916.1654 > BOND = 395.9063 ANGLE = 1021.2213 DIHED = 939.9959 330c330 < 1-4 NB = 403.5631 1-4 EEL = 3738.4643 VDWAALS = -1068.2978 > 1-4 NB = 407.0063 1-4 EEL = 3030.5116 VDWAALS = -85.5680 331c331 < EELEC = -7715.5337 EGB = -2333.1483 RESTRAINT = 0. > EELEC = -12277.5991 EGB = -10820.9438 RESTRAINT = 0. 333c333 < NSTEP = 44 TIME(PS) = 0.088 TEMP(K) = 166.71 PRESS = 0. > NSTEP = 44 TIME(PS) = 0.088 TEMP(K) = 207.08 PRESS = 0. 334c334 < Etot = -4329.1996 EKtot = 826.0570 EPtot = -5155.2565 > Etot = -16425.9496 EKtot = 1026.0708 EPtot = -17452.0204 335c335 < BOND = 251.3442 ANGLE = 651.9976 DIHED = 918.5847 > BOND = 393.3892 ANGLE = 1019.3591 DIHED = 942.0021 336c336 < 1-4 NB = 401.8979 1-4 EEL = 3737.6123 VDWAALS = -1067.4355 > 1-4 NB = 406.9497 1-4 EEL = 3026.8911 VDWAALS = -49.5298 337c337 < EELEC = -7718.0789 EGB = -2331.1788 RESTRAINT = 0. > EELEC = -12339.3653 EGB = -10851.7165 RESTRAINT = 0. 339c339 < NSTEP = 45 TIME(PS) = 0.090 TEMP(K) = 174.54 PRESS = 0. > NSTEP = 45 TIME(PS) = 0.090 TEMP(K) = 214.67 PRESS = 0. 340c340 < Etot = -4331.9978 EKtot = 864.8429 EPtot = -5196.8407 > Etot = -16503.3668 EKtot = 1063.7010 EPtot = -17567.0678 341c341 < BOND = 238.9309 ANGLE = 623.8496 DIHED = 920.8015 > BOND = 394.5535 ANGLE = 971.9031 DIHED = 945.1305 342c342 < 1-4 NB = 400.3061 1-4 EEL = 3734.4448 VDWAALS = -1067.2001 > 1-4 NB = 406.4520 1-4 EEL = 3029.2791 VDWAALS = -44.3528 343c343 < EELEC = -7718.3922 EGB = -2329.5813 RESTRAINT = 0. > EELEC = -12387.3238 EGB = -10882.7094 RESTRAINT = 0. 345c345 < NSTEP = 46 TIME(PS) = 0.092 TEMP(K) = 177.55 PRESS = 0. > NSTEP = 46 TIME(PS) = 0.092 TEMP(K) = 219.40 PRESS = 0. 346c346 < Etot = -4332.5267 EKtot = 879.7619 EPtot = -5212.2887 > Etot = -16612.1543 EKtot = 1087.1604 EPtot = -17699.3148 347c347 < BOND = 246.8785 ANGLE = 602.2842 DIHED = 922.2181 > BOND = 412.6390 ANGLE = 916.7202 DIHED = 948.7177 348c348 < 1-4 NB = 399.3252 1-4 EEL = 3729.6764 VDWAALS = -1067.3982 > 1-4 NB = 406.4209 1-4 EEL = 3035.2081 VDWAALS = -76.8240 349c349 < EELEC = -7716.7256 EGB = -2328.5473 RESTRAINT = 0. > EELEC = -12416.5888 EGB = -10925.6079 RESTRAINT = 0. 351c351 < NSTEP = 47 TIME(PS) = 0.094 TEMP(K) = 172.52 PRESS = 0. > NSTEP = 47 TIME(PS) = 0.094 TEMP(K) = 216.33 PRESS = 0. 352c352 < Etot = -4329.5712 EKtot = 854.8711 EPtot = -5184.4423 > Etot = -16688.5553 EKtot = 1071.9513 EPtot = -17760.5066 353c353 < BOND = 268.2160 ANGLE = 611.1620 DIHED = 922.1754 > BOND = 439.4407 ANGLE = 895.1736 DIHED = 951.7613 354c354 < 1-4 NB = 399.2439 1-4 EEL = 3724.4519 VDWAALS = -1067.7630 > 1-4 NB = 407.7306 1-4 EEL = 3039.4485 VDWAALS = -98.1509 355c355 < EELEC = -7713.6283 EGB = -2328.3001 RESTRAINT = 0. > EELEC = -12433.5545 EGB = -10962.3558 RESTRAINT = 0. 357c357 < NSTEP = 48 TIME(PS) = 0.096 TEMP(K) = 165.83 PRESS = 0. > NSTEP = 48 TIME(PS) = 0.096 TEMP(K) = 210.24 PRESS = 0. 358c358 < Etot = -4326.1783 EKtot = 821.7149 EPtot = -5147.8932 > Etot = -16760.4645 EKtot = 1041.7361 EPtot = -17802.2006 359c359 < BOND = 274.8537 ANGLE = 644.5201 DIHED = 919.9802 > BOND = 450.2983 ANGLE = 912.8881 DIHED = 952.7666 360c360 < 1-4 NB = 399.8131 1-4 EEL = 3720.3145 VDWAALS = -1068.1487 > 1-4 NB = 410.6291 1-4 EEL = 3037.3685 VDWAALS = -116.4339 361c361 < EELEC = -7710.3569 EGB = -2328.8691 RESTRAINT = 0. > EELEC = -12446.8989 EGB = -11002.8183 RESTRAINT = 0. 363c363 < NSTEP = 49 TIME(PS) = 0.098 TEMP(K) = 165.33 PRESS = 0. > NSTEP = 49 TIME(PS) = 0.098 TEMP(K) = 208.37 PRESS = 0. 364c364 < Etot = -4324.9654 EKtot = 819.2007 EPtot = -5144.1660 > Etot = -16793.0826 EKtot = 1032.4899 EPtot = -17825.5725 365c365 < BOND = 255.6827 ANGLE = 672.9753 DIHED = 915.3835 > BOND = 436.6298 ANGLE = 944.7655 DIHED = 950.4534 366c366 < 1-4 NB = 400.3596 1-4 EEL = 3720.0615 VDWAALS = -1068.7541 > 1-4 NB = 414.5011 1-4 EEL = 3027.2947 VDWAALS = -117.6581 367c367 < EELEC = -7700.6256 EGB = -2339.2491 RESTRAINT = 0. > EELEC = -12464.5993 EGB = -11016.9596 RESTRAINT = 0. 369c369 < NSTEP = 50 TIME(PS) = 0.100 TEMP(K) = 172.05 PRESS = 0. > NSTEP = 50 TIME(PS) = 0.100 TEMP(K) = 212.61 PRESS = 0. 370c370 < Etot = -4326.6702 EKtot = 852.5012 EPtot = -5179.1715 > Etot = -16813.4273 EKtot = 1053.4776 EPtot = -17866.9050 371c371 < BOND = 234.3076 ANGLE = 667.4032 DIHED = 909.0589 > BOND = 420.7540 ANGLE = 958.8223 DIHED = 944.8753 372c372 < 1-4 NB = 400.4891 1-4 EEL = 3721.9913 VDWAALS = -1070.0256 > 1-4 NB = 418.5497 1-4 EEL = 3010.7447 VDWAALS = -112.9797 373c373 < EELEC = -7702.5687 EGB = -2339.8274 RESTRAINT = 0. > EELEC = -12483.0407 EGB = -11024.6306 RESTRAINT = 0. 376c376 < NSTEP = 50 TIME(PS) = 0.100 TEMP(K) = 169.69 PRESS = 0. > NSTEP = 50 TIME(PS) = 0.100 TEMP(K) = 203.53 PRESS = 0. 377c377 < Etot = -4369.8210 EKtot = 840.8234 EPtot = -5210.6444 > Etot = -14614.5088 EKtot = 1008.5158 EPtot = -15623.0247 378c378 < BOND = 229.1751 ANGLE = 616.0871 DIHED = 922.4556 > BOND = 357.0642 ANGLE = 909.5806 DIHED = 965.3284 379c379 < 1-4 NB = 424.1475 1-4 EEL = 3745.0552 VDWAALS = -1075.3616 > 1-4 NB = 424.9641 1-4 EEL = 3106.7417 VDWAALS = -660.6076 380c380 < EELEC = -8195.5340 EGB = -1876.6693 RESTRAINT = 0. > EELEC = -10652.5515 EGB = -10073.5446 RESTRAINT = 0. 383c383 < NSTEP = 50 TIME(PS) = 0.100 TEMP(K) = 25.07 PRESS = 0. > NSTEP = 50 TIME(PS) = 0.100 TEMP(K) = 22.69 PRESS = 0. 384c384 < Etot = 33.8674 EKtot = 124.2087 EPtot = 124.3217 > Etot = 1495.9921 EKtot = 112.4235 EPtot = 1531.2047 385c385 < BOND = 34.3326 ANGLE = 77.8645 DIHED = 23.8846 > BOND = 69.8075 ANGLE = 171.3382 DIHED = 40.2000 386c386 < 1-4 NB = 16.6419 1-4 EEL = 26.8881 VDWAALS = 6.3940 > 1-4 NB = 19.1701 1-4 EEL = 243.9834 VDWAALS = 367.2505 387c387 < EELEC = 308.6681 EGB = 283.8587 RESTRAINT = 0. > EELEC = 1346.3016 EGB = 525.6647 RESTRAINT = 0. ### Maximum absolute error in matching lines = 1.25e+04 at line 370 field 3 ### Maximum relative error in matching lines = 4.32e+01 at line 384 field 3 --------------------------------------- possible FAILURE: check cpout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/cnstph/implicit 25,26c25,26 < Residue 6 State: 0 < Residue 14 State: 3 --- > Residue 6 State: 4 > Residue 14 State: 0 28c28 < Residue 14 State: 3 --- > Residue 14 State: 0 30c30 < Residue 13 State: 0 --- > Residue 13 State: 1 32,33c32,33 < Residue 6 State: 0 < Residue 15 State: 0 --- > Residue 6 State: 1 > Residue 15 State: 1 41c41 < Residue 15 State: 0 --- > Residue 15 State: 1 45c45 < Residue 11 State: 3 --- > Residue 11 State: 1 61c61 < Residue 11 State: 3 --- > Residue 11 State: 1 63,65c63,65 < Residue 13 State: 0 < Residue 14 State: 3 < Residue 15 State: 0 --- > Residue 13 State: 1 > Residue 14 State: 0 > Residue 15 State: 1 --------------------------------------- possible FAILURE: check mdout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/cnste/implicit 73c73 < Etot = -1606.0179 EKtot = 2047.9093 EPtot = -3653.9272 > Etot = -9113.7849 EKtot = 2047.9093 EPtot = -11161.6941 76c76 < EELEC = -8556.3478 EGB = -3088.5049 RESTRAINT = 0. > EELEC = -8556.3478 EGB = -10596.2719 RESTRAINT = 0. 78c78 < NSTEP = 1 TIME(PS) = 0.002 TEMP(K) = 309.75 PRESS = 0. > NSTEP = 1 TIME(PS) = 0.002 TEMP(K) = 309.77 PRESS = 0. 79c79 < Etot = -1890.7101 EKtot = 1763.2171 EPtot = -3653.9272 > Etot = -9398.3725 EKtot = 1763.3216 EPtot = -11161.6941 82c82 < EELEC = -8556.3478 EGB = -3088.5049 RESTRAINT = 0. > EELEC = -8556.3478 EGB = -10596.2719 RESTRAINT = 0. 84c84 < NSTEP = 2 TIME(PS) = 0.004 TEMP(K) = 300.25 PRESS = 0. > NSTEP = 2 TIME(PS) = 0.004 TEMP(K) = 302.50 PRESS = 0. 85c85 < Etot = -1990.3371 EKtot = 1709.1409 EPtot = -3699.4780 > Etot = -9502.6266 EKtot = 1721.9078 EPtot = -11224.5345 86c86 < BOND = 463.7765 ANGLE = 1289.5197 DIHED = 1430.5425 > BOND = 464.4423 ANGLE = 1291.3136 DIHED = 1430.3659 87c87 < 1-4 NB = 455.6624 1-4 EEL = 5282.5812 VDWAALS = -985.1490 > 1-4 NB = 455.9549 1-4 EEL = 5268.8747 VDWAALS = -985.1154 88c88 < EELEC = -8545.2900 EGB = -3091.1213 RESTRAINT = 0. > EELEC = -8557.0060 EGB = -10593.3645 RESTRAINT = 0. 90c90 < NSTEP = 3 TIME(PS) = 0.006 TEMP(K) = 307.26 PRESS = 0. > NSTEP = 3 TIME(PS) = 0.006 TEMP(K) = 313.26 PRESS = 0. 91c91 < Etot = -2007.0101 EKtot = 1749.0313 EPtot = -3756.0413 > Etot = -9528.3488 EKtot = 1783.1790 EPtot = -11311.5279 92c92 < BOND = 451.2536 ANGLE = 1266.6142 DIHED = 1425.2126 > BOND = 454.5073 ANGLE = 1283.0989 DIHED = 1424.7240 93c93 < 1-4 NB = 455.5883 1-4 EEL = 5242.3846 VDWAALS = -986.7152 > 1-4 NB = 456.6261 1-4 EEL = 5226.1072 VDWAALS = -986.8661 94c94 < EELEC = -8411.4884 EGB = -3198.8909 RESTRAINT = 0. > EELEC = -8581.4577 EGB = -10588.2675 RESTRAINT = 0. 96c96 < NSTEP = 4 TIME(PS) = 0.008 TEMP(K) = 308.05 PRESS = 0. > NSTEP = 4 TIME(PS) = 0.008 TEMP(K) = 316.37 PRESS = 0. 97c97 < Etot = -2006.7932 EKtot = 1753.5122 EPtot = -3760.3054 > Etot = -9568.3520 EKtot = 1800.8594 EPtot = -11369.2114 98c98 < BOND = 445.6310 ANGLE = 1275.7009 DIHED = 1421.2835 > BOND = 454.0057 ANGLE = 1327.9156 DIHED = 1420.7570 99c99 < 1-4 NB = 456.3301 1-4 EEL = 5240.9650 VDWAALS = -988.7382 > 1-4 NB = 458.3597 1-4 EEL = 5169.4174 VDWAALS = -989.0500 100c100 < EELEC = -8409.5069 EGB = -3201.9708 RESTRAINT = 0. > EELEC = -8626.5477 EGB = -10584.0692 RESTRAINT = 0. 102c102 < NSTEP = 5 TIME(PS) = 0.010 TEMP(K) = 303.43 PRESS = 0. > NSTEP = 5 TIME(PS) = 0.010 TEMP(K) = 312.60 PRESS = 0. 103c103 < Etot = -2017.8092 EKtot = 1727.1909 EPtot = -3745.0000 > Etot = -9622.0589 EKtot = 1779.4447 EPtot = -11401.5036 104c104 < BOND = 451.1125 ANGLE = 1306.6147 DIHED = 1420.7753 > BOND = 467.9996 ANGLE = 1402.2806 DIHED = 1420.7520 105c105 < 1-4 NB = 457.0915 1-4 EEL = 5207.7674 VDWAALS = -991.8836 > 1-4 NB = 459.9528 1-4 EEL = 5111.1017 VDWAALS = -991.4334 106c106 < EELEC = -8164.5414 EGB = -3431.9365 RESTRAINT = 0. > EELEC = -8687.6195 EGB = -10584.5374 RESTRAINT = 0. 108c108 < NSTEP = 6 TIME(PS) = 0.012 TEMP(K) = 300.42 PRESS = 0. > NSTEP = 6 TIME(PS) = 0.012 TEMP(K) = 311.12 PRESS = 0. 109c109 < Etot = -2015.7583 EKtot = 1710.0803 EPtot = -3725.8387 > Etot = -9693.4340 EKtot = 1771.0105 EPtot = -11464.4444 110c110 < BOND = 458.4489 ANGLE = 1322.7241 DIHED = 1424.2248 > BOND = 490.3268 ANGLE = 1443.2971 DIHED = 1425.3052 111c111 < 1-4 NB = 457.5207 1-4 EEL = 5211.8922 VDWAALS = -995.3377 > 1-4 NB = 460.4714 1-4 EEL = 5061.1123 VDWAALS = -992.8131 112c112 < EELEC = -8169.1333 EGB = -3436.1785 RESTRAINT = 0. > EELEC = -8759.6190 EGB = -10592.5251 RESTRAINT = 0. 114c114 < NSTEP = 7 TIME(PS) = 0.014 TEMP(K) = 303.58 PRESS = 0. > NSTEP = 7 TIME(PS) = 0.014 TEMP(K) = 317.21 PRESS = 0. 115c115 < Etot = -2003.4821 EKtot = 1728.0492 EPtot = -3731.5313 > Etot = -9784.5989 EKtot = 1805.6596 EPtot = -11590.2585 116c116 < BOND = 458.3300 ANGLE = 1301.9648 DIHED = 1430.8635 > BOND = 515.8531 ANGLE = 1416.7860 DIHED = 1433.6517 117c117 < 1-4 NB = 457.9834 1-4 EEL = 5251.3244 VDWAALS = -997.6578 > 1-4 NB = 459.9247 1-4 EEL = 5023.1235 VDWAALS = -992.1824 118c118 < EELEC = -8418.9728 EGB = -3215.3668 RESTRAINT = 0. > EELEC = -8838.0662 EGB = -10609.3489 RESTRAINT = 0. 120c120 < NSTEP = 8 TIME(PS) = 0.016 TEMP(K) = 308.45 PRESS = 0. > NSTEP = 8 TIME(PS) = 0.016 TEMP(K) = 324.68 PRESS = 0. 121c121 < Etot = -2006.5990 EKtot = 1755.7910 EPtot = -3762.3900 > Etot = -9890.3318 EKtot = 1848.1994 EPtot = -11738.5312 122c122 < BOND = 452.5917 ANGLE = 1270.0852 DIHED = 1439.7129 > BOND = 546.1159 ANGLE = 1362.3046 DIHED = 1444.7355 123c123 < 1-4 NB = 458.9926 1-4 EEL = 5253.0145 VDWAALS = -998.2442 > 1-4 NB = 458.9075 1-4 EEL = 4993.9374 VDWAALS = -989.5901 124c124 < EELEC = -8418.7312 EGB = -3219.8114 RESTRAINT = 0. > EELEC = -8919.9217 EGB = -10635.0203 RESTRAINT = 0. 126c126 < NSTEP = 9 TIME(PS) = 0.018 TEMP(K) = 308.10 PRESS = 0. > NSTEP = 9 TIME(PS) = 0.018 TEMP(K) = 325.12 PRESS = 0. 127c127 < Etot = -2020.7808 EKtot = 1753.8277 EPtot = -3774.6085 > Etot = -10003.3927 EKtot = 1850.6928 EPtot = -11854.0855 128c128 < BOND = 449.9607 ANGLE = 1264.4483 DIHED = 1449.5862 > BOND = 581.0738 ANGLE = 1340.7252 DIHED = 1457.1458 129c129 < 1-4 NB = 460.6487 1-4 EEL = 5215.2708 VDWAALS = -997.7250 > 1-4 NB = 457.9887 1-4 EEL = 4966.4428 VDWAALS = -985.7401 130c130 < EELEC = -8170.1025 EGB = -3446.6956 RESTRAINT = 0. > EELEC = -9004.1090 EGB = -10667.6127 RESTRAINT = 0. 132c132 < NSTEP = 10 TIME(PS) = 0.020 TEMP(K) = 302.69 PRESS = 0. > NSTEP = 10 TIME(PS) = 0.020 TEMP(K) = 319.75 PRESS = 0. 133c133 < Etot = -2018.4833 EKtot = 1722.9857 EPtot = -3741.4690 > Etot = -10111.1999 EKtot = 1820.1091 EPtot = -11931.3090 134c134 < BOND = 455.4626 ANGLE = 1282.6003 DIHED = 1458.5363 > BOND = 612.8150 ANGLE = 1361.0586 DIHED = 1468.7016 135c135 < 1-4 NB = 462.3442 1-4 EEL = 5209.0969 VDWAALS = -997.3244 > 1-4 NB = 457.2453 1-4 EEL = 4933.7108 VDWAALS = -980.5430 136c136 < EELEC = -8166.5525 EGB = -3445.6323 RESTRAINT = 0. > EELEC = -9091.0888 EGB = -10693.2086 RESTRAINT = 0. 138c138 < NSTEP = 11 TIME(PS) = 0.022 TEMP(K) = 297.57 PRESS = 0. > NSTEP = 11 TIME(PS) = 0.022 TEMP(K) = 315.98 PRESS = 0. 139c139 < Etot = -2017.2019 EKtot = 1693.8340 EPtot = -3711.0359 > Etot = -10225.6522 EKtot = 1798.6307 EPtot = -12024.2830 140c140 < BOND = 466.6999 ANGLE = 1298.1472 DIHED = 1464.2442 > BOND = 631.1658 ANGLE = 1395.1711 DIHED = 1477.0905 141c141 < 1-4 NB = 463.0499 1-4 EEL = 5200.1027 VDWAALS = -997.5845 > 1-4 NB = 456.3072 1-4 EEL = 4891.8937 VDWAALS = -973.3002 142c142 < EELEC = -8164.3578 EGB = -3441.3373 RESTRAINT = 0. > EELEC = -9182.2486 EGB = -10720.3625 RESTRAINT = 0. 144c144 < NSTEP = 12 TIME(PS) = 0.024 TEMP(K) = 296.44 PRESS = 0. > NSTEP = 12 TIME(PS) = 0.024 TEMP(K) = 317.27 PRESS = 0. 145c145 < Etot = -2016.9222 EKtot = 1687.4555 EPtot = -3704.3777 > Etot = -10342.4000 EKtot = 1806.0273 EPtot = -12148.4273 146c146 < BOND = 476.7117 ANGLE = 1300.6578 DIHED = 1465.1760 > BOND = 631.1995 ANGLE = 1431.8285 DIHED = 1481.1331 147c147 < 1-4 NB = 461.7659 1-4 EEL = 5190.2573 VDWAALS = -998.7564 > 1-4 NB = 454.6771 1-4 EEL = 4841.5865 VDWAALS = -964.4007 148c148 < EELEC = -8165.5171 EGB = -3434.6729 RESTRAINT = 0. > EELEC = -9278.8383 EGB = -10745.6131 RESTRAINT = 0. 150c150 < NSTEP = 13 TIME(PS) = 0.026 TEMP(K) = 300.00 PRESS = 0. > NSTEP = 13 TIME(PS) = 0.026 TEMP(K) = 322.24 PRESS = 0. 151c151 < Etot = -2017.5204 EKtot = 1707.6959 EPtot = -3725.2164 > Etot = -10450.3045 EKtot = 1834.3046 EPtot = -12284.6091 152c152 < BOND = 478.5067 ANGLE = 1293.3767 DIHED = 1461.6589 > BOND = 613.9780 ANGLE = 1475.4911 DIHED = 1481.6066 153c153 < 1-4 NB = 458.2656 1-4 EEL = 5181.7004 VDWAALS = -1000.6047 > 1-4 NB = 452.2961 1-4 EEL = 4788.1798 VDWAALS = -954.9473 154c154 < EELEC = -8170.8950 EGB = -3427.2250 RESTRAINT = 0. > EELEC = -9381.0752 EGB = -10760.1383 RESTRAINT = 0. 156c156 < NSTEP = 14 TIME(PS) = 0.028 TEMP(K) = 306.32 PRESS = 0. > NSTEP = 14 TIME(PS) = 0.028 TEMP(K) = 328.81 PRESS = 0. 157c157 < Etot = -2019.4074 EKtot = 1743.6735 EPtot = -3763.0810 > Etot = -10553.6800 EKtot = 1871.6699 EPtot = -12425.3500 158c158 < BOND = 470.5774 ANGLE = 1282.2259 DIHED = 1456.0426 > BOND = 585.1831 ANGLE = 1519.8482 DIHED = 1480.9795 159c159 < 1-4 NB = 453.6963 1-4 EEL = 5175.7050 VDWAALS = -1001.6060 > 1-4 NB = 449.9437 1-4 EEL = 4740.6056 VDWAALS = -944.0095 160c160 < EELEC = -8178.9620 EGB = -3420.7602 RESTRAINT = 0. > EELEC = -9487.8927 EGB = -10770.0078 RESTRAINT = 0. 162c162 < NSTEP = 15 TIME(PS) = 0.030 TEMP(K) = 310.68 PRESS = 0. > NSTEP = 15 TIME(PS) = 0.030 TEMP(K) = 334.52 PRESS = 0. 163c163 < Etot = -2007.1109 EKtot = 1768.4714 EPtot = -3775.5823 > Etot = -10658.1550 EKtot = 1904.1760 EPtot = -12562.3310 164c164 < BOND = 460.2367 ANGLE = 1280.1852 DIHED = 1451.5808 > BOND = 556.2531 ANGLE = 1552.4776 DIHED = 1482.1737 165c165 < 1-4 NB = 449.8427 1-4 EEL = 5206.7972 VDWAALS = -1001.0486 > 1-4 NB = 448.4455 1-4 EEL = 4672.5548 VDWAALS = -929.2365 166c166 < EELEC = -8429.6510 EGB = -3193.5253 RESTRAINT = 0. > EELEC = -9371.0718 EGB = -10973.9274 RESTRAINT = 0. 168c168 < NSTEP = 16 TIME(PS) = 0.032 TEMP(K) = 308.82 PRESS = 0. > NSTEP = 16 TIME(PS) = 0.032 TEMP(K) = 335.63 PRESS = 0. 169c169 < Etot = -2006.6059 EKtot = 1757.9019 EPtot = -3764.5078 > Etot = -10739.1139 EKtot = 1910.5169 EPtot = -12649.6308 170c170 < BOND = 459.7007 ANGLE = 1297.5093 DIHED = 1450.1989 > BOND = 543.1504 ANGLE = 1572.4926 DIHED = 1486.8978 171c171 < 1-4 NB = 447.6988 1-4 EEL = 5204.0871 VDWAALS = -999.7580 > 1-4 NB = 447.7821 1-4 EEL = 4657.3231 VDWAALS = -912.8023 172c172 < EELEC = -8432.0075 EGB = -3191.9371 RESTRAINT = 0. > EELEC = -9479.6229 EGB = -10964.8516 RESTRAINT = 0. 174c174 < NSTEP = 17 TIME(PS) = 0.034 TEMP(K) = 302.16 PRESS = 0. > NSTEP = 17 TIME(PS) = 0.034 TEMP(K) = 330.34 PRESS = 0. 175c175 < Etot = -2004.0365 EKtot = 1720.0143 EPtot = -3724.0509 > Etot = -10870.9921 EKtot = 1880.4155 EPtot = -12751.4076 176c176 < BOND = 475.4265 ANGLE = 1319.8609 DIHED = 1451.3016 > BOND = 556.0166 ANGLE = 1584.5634 DIHED = 1494.8915 177c177 < 1-4 NB = 447.2221 1-4 EEL = 5200.8921 VDWAALS = -998.1618 > 1-4 NB = 447.5353 1-4 EEL = 4655.2031 VDWAALS = -898.8502 178c178 < EELEC = -8428.0397 EGB = -3192.5525 RESTRAINT = 0. > EELEC = -9583.4211 EGB = -11007.3463 RESTRAINT = 0. 180c180 < NSTEP = 18 TIME(PS) = 0.036 TEMP(K) = 296.87 PRESS = 0. > NSTEP = 18 TIME(PS) = 0.036 TEMP(K) = 322.28 PRESS = 0. 181c181 < Etot = -2002.4459 EKtot = 1689.8543 EPtot = -3692.3002 > Etot = -10987.5875 EKtot = 1834.5363 EPtot = -12822.1238 182c182 < BOND = 499.5997 ANGLE = 1320.7327 DIHED = 1452.3258 > BOND = 586.2724 ANGLE = 1587.1462 DIHED = 1504.0082 183c183 < 1-4 NB = 447.8284 1-4 EEL = 5196.4962 VDWAALS = -996.0408 > 1-4 NB = 447.7589 1-4 EEL = 4656.1448 VDWAALS = -887.5221 184c184 < EELEC = -8418.6872 EGB = -3194.5549 RESTRAINT = 0. > EELEC = -9681.1004 EGB = -11034.8318 RESTRAINT = 0. 186c186 < NSTEP = 19 TIME(PS) = 0.038 TEMP(K) = 297.12 PRESS = 0. > NSTEP = 19 TIME(PS) = 0.038 TEMP(K) = 317.97 PRESS = 0. 187c187 < Etot = -2016.8065 EKtot = 1691.2765 EPtot = -3708.0831 > Etot = -11109.8574 EKtot = 1809.9837 EPtot = -12919.8411 188c188 < BOND = 514.7291 ANGLE = 1297.5410 DIHED = 1450.7526 > BOND = 609.6225 ANGLE = 1580.2398 DIHED = 1511.1082 189c189 < 1-4 NB = 448.6480 1-4 EEL = 5156.4491 VDWAALS = -993.6255 > 1-4 NB = 448.6839 1-4 EEL = 4685.2908 VDWAALS = -876.3039 190c190 < EELEC = -8160.9757 EGB = -3421.6017 RESTRAINT = 0. > EELEC = -9993.5066 EGB = -10884.9759 RESTRAINT = 0. 192c192 < NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 302.02 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 320.89 PRESS = 0. 193c193 < Etot = -2018.1791 EKtot = 1719.1837 EPtot = -3737.3628 > Etot = -11236.7448 EKtot = 1826.5835 EPtot = -13063.3284 194c194 < BOND = 509.9967 ANGLE = 1270.2042 DIHED = 1445.9761 > BOND = 608.5047 ANGLE = 1571.6947 DIHED = 1513.7911 195c195 < 1-4 NB = 449.2252 1-4 EEL = 5152.2246 VDWAALS = -991.2090 > 1-4 NB = 450.5967 1-4 EEL = 4665.8687 VDWAALS = -862.7931 196c196 < EELEC = -8150.3579 EGB = -3423.4226 RESTRAINT = 0. > EELEC = -10082.0138 EGB = -10928.9773 RESTRAINT = 0. 198c198 < NSTEP = 21 TIME(PS) = 0.042 TEMP(K) = 307.99 PRESS = 0. > NSTEP = 21 TIME(PS) = 0.042 TEMP(K) = 328.11 PRESS = 0. 199c199 < Etot = -2005.7716 EKtot = 1753.1524 EPtot = -3758.9240 > Etot = -11347.3430 EKtot = 1867.6933 EPtot = -13215.0363 200c200 < BOND = 492.3166 ANGLE = 1253.5284 DIHED = 1439.3581 > BOND = 590.0273 ANGLE = 1574.1704 DIHED = 1511.8066 201c201 < 1-4 NB = 449.7794 1-4 EEL = 5186.0004 VDWAALS = -988.9517 > 1-4 NB = 454.2981 1-4 EEL = 4632.0329 VDWAALS = -845.1450 202c202 < EELEC = -8394.2292 EGB = -3196.7260 RESTRAINT = 0. > EELEC = -10172.6476 EGB = -10959.5789 RESTRAINT = 0. 204c204 < NSTEP = 22 TIME(PS) = 0.044 TEMP(K) = 311.47 PRESS = 0. > NSTEP = 22 TIME(PS) = 0.044 TEMP(K) = 332.56 PRESS = 0. 205c205 < Etot = -2006.3865 EKtot = 1772.9818 EPtot = -3779.3684 > Etot = -11461.2210 EKtot = 1893.0279 EPtot = -13354.2489 206c206 < BOND = 477.7921 ANGLE = 1253.2742 DIHED = 1432.6645 > BOND = 575.9650 ANGLE = 1603.6433 DIHED = 1506.6562 207c207 < 1-4 NB = 450.3595 1-4 EEL = 5187.3812 VDWAALS = -987.6262 > 1-4 NB = 460.4646 1-4 EEL = 4588.1351 VDWAALS = -820.0661 208c208 < EELEC = -8398.6274 EGB = -3194.5863 RESTRAINT = 0. > EELEC = -10270.6654 EGB = -10998.3816 RESTRAINT = 0. 210c210 < NSTEP = 23 TIME(PS) = 0.046 TEMP(K) = 311.29 PRESS = 0. > NSTEP = 23 TIME(PS) = 0.046 TEMP(K) = 330.86 PRESS = 0. 211c211 < Etot = -2019.0691 EKtot = 1771.9660 EPtot = -3791.0351 > Etot = -11574.8073 EKtot = 1883.3753 EPtot = -13458.1826 212c212 < BOND = 473.1453 ANGLE = 1270.3495 DIHED = 1427.0132 > BOND = 576.7184 ANGLE = 1662.2174 DIHED = 1500.4076 213c213 < 1-4 NB = 450.3255 1-4 EEL = 5154.6447 VDWAALS = -987.0236 > 1-4 NB = 466.5821 1-4 EEL = 4543.9190 VDWAALS = -787.5576 214c214 < EELEC = -8159.5396 EGB = -3419.9503 RESTRAINT = 0. > EELEC = -10379.0040 EGB = -11041.4657 RESTRAINT = 0. 216c216 < NSTEP = 24 TIME(PS) = 0.048 TEMP(K) = 310.21 PRESS = 0. > NSTEP = 24 TIME(PS) = 0.048 TEMP(K) = 327.99 PRESS = 0. 217c217 < Etot = -2017.6540 EKtot = 1765.8323 EPtot = -3783.4863 > Etot = -11696.6578 EKtot = 1867.0339 EPtot = -13563.6916 218c218 < BOND = 471.8196 ANGLE = 1292.5252 DIHED = 1422.7718 > BOND = 584.2150 ANGLE = 1718.9971 DIHED = 1494.5494 219c219 < 1-4 NB = 449.0580 1-4 EEL = 5156.8936 VDWAALS = -986.6272 > 1-4 NB = 464.9204 1-4 EEL = 4511.4820 VDWAALS = -751.0993 220c220 < EELEC = -8170.6610 EGB = -3419.2664 RESTRAINT = 0. > EELEC = -10495.5811 EGB = -11091.1751 RESTRAINT = 0. 222c222 < NSTEP = 25 TIME(PS) = 0.050 TEMP(K) = 311.35 PRESS = 0. > NSTEP = 25 TIME(PS) = 0.050 TEMP(K) = 329.46 PRESS = 0. 223c223 < Etot = -2004.6518 EKtot = 1772.2855 EPtot = -3776.9374 > Etot = -11835.8989 EKtot = 1875.3939 EPtot = -13711.2928 224c224 < BOND = 468.2750 ANGLE = 1302.0759 DIHED = 1419.8967 > BOND = 590.9374 ANGLE = 1737.3482 DIHED = 1489.7618 225c225 < 1-4 NB = 446.6677 1-4 EEL = 5191.8100 VDWAALS = -985.5946 > 1-4 NB = 457.1765 1-4 EEL = 4495.2262 VDWAALS = -720.2957 226c226 < EELEC = -8427.0866 EGB = -3192.9814 RESTRAINT = 0. > EELEC = -10611.9991 EGB = -11149.4481 RESTRAINT = 0. 228c228 < NSTEP = 26 TIME(PS) = 0.052 TEMP(K) = 312.84 PRESS = 0. > NSTEP = 26 TIME(PS) = 0.052 TEMP(K) = 333.11 PRESS = 0. 229c229 < Etot = -2006.6550 EKtot = 1780.8018 EPtot = -3787.4569 > Etot = -11984.5398 EKtot = 1896.1707 EPtot = -13880.7104 230c230 < BOND = 467.4864 ANGLE = 1301.8938 DIHED = 1418.4603 > BOND = 604.0864 ANGLE = 1718.7226 DIHED = 1486.6371 231c231 < 1-4 NB = 444.0988 1-4 EEL = 5186.0473 VDWAALS = -982.8001 > 1-4 NB = 448.5333 1-4 EEL = 4491.5730 VDWAALS = -698.7900 232c232 < EELEC = -8426.6797 EGB = -3195.9638 RESTRAINT = 0. > EELEC = -10720.6933 EGB = -11210.7795 RESTRAINT = 0. 234c234 < NSTEP = 27 TIME(PS) = 0.054 TEMP(K) = 310.64 PRESS = 0. > NSTEP = 27 TIME(PS) = 0.054 TEMP(K) = 332.44 PRESS = 0. 235c235 < Etot = -2020.2046 EKtot = 1768.2566 EPtot = -3788.4612 > Etot = -12120.9073 EKtot = 1892.3429 EPtot = -14013.2502 236c236 < BOND = 475.9777 ANGLE = 1310.2489 DIHED = 1418.6924 > BOND = 633.1276 ANGLE = 1698.0700 DIHED = 1486.0296 237c237 < 1-4 NB = 442.4663 1-4 EEL = 5139.3554 VDWAALS = -978.1991 > 1-4 NB = 441.2232 1-4 EEL = 4493.2565 VDWAALS = -659.9707 238c238 < EELEC = -8169.4669 EGB = -3427.5359 RESTRAINT = 0. > EELEC = -10823.7520 EGB = -11281.2345 RESTRAINT = 0. 240c240 < NSTEP = 28 TIME(PS) = 0.056 TEMP(K) = 306.06 PRESS = 0. > NSTEP = 28 TIME(PS) = 0.056 TEMP(K) = 326.95 PRESS = 0. 241c241 < Etot = -2017.7857 EKtot = 1742.1868 EPtot = -3759.9725 > Etot = -12241.0332 EKtot = 1861.1107 EPtot = -14102.1439 242c242 < BOND = 489.3987 ANGLE = 1325.6011 DIHED = 1420.6895 > BOND = 669.8874 ANGLE = 1693.7983 DIHED = 1488.5031 243c243 < 1-4 NB = 441.5943 1-4 EEL = 5125.2190 VDWAALS = -973.4894 > 1-4 NB = 436.7782 1-4 EEL = 4492.3565 VDWAALS = -603.6781 244c244 < EELEC = -8157.2936 EGB = -3431.6922 RESTRAINT = 0. > EELEC = -10923.4197 EGB = -11356.3696 RESTRAINT = 0. 246c246 < NSTEP = 29 TIME(PS) = 0.058 TEMP(K) = 304.58 PRESS = 0. > NSTEP = 29 TIME(PS) = 0.058 TEMP(K) = 323.61 PRESS = 0. 247c247 < Etot = -2017.4606 EKtot = 1733.7542 EPtot = -3751.2147 > Etot = -12352.1526 EKtot = 1842.1133 EPtot = -14194.2659 248c248 < BOND = 496.2467 ANGLE = 1327.6847 DIHED = 1424.4244 > BOND = 692.4883 ANGLE = 1690.7602 DIHED = 1493.8376 249c249 < 1-4 NB = 440.2832 1-4 EEL = 5111.9218 VDWAALS = -970.6354 > 1-4 NB = 434.2115 1-4 EEL = 4484.8913 VDWAALS = -533.3370 250c250 < EELEC = -8146.9010 EGB = -3434.2391 RESTRAINT = 0. > EELEC = -11021.1739 EGB = -11435.9440 RESTRAINT = 0. 252c252 < NSTEP = 30 TIME(PS) = 0.060 TEMP(K) = 307.18 PRESS = 0. > NSTEP = 30 TIME(PS) = 0.060 TEMP(K) = 325.90 PRESS = 0. 253c253 < Etot = -2019.4817 EKtot = 1748.5794 EPtot = -3768.0611 > Etot = -12459.0884 EKtot = 1855.1147 EPtot = -14314.2031 254c254 < BOND = 492.6315 ANGLE = 1315.4394 DIHED = 1429.8369 > BOND = 689.9184 ANGLE = 1682.3706 DIHED = 1501.0741 255c255 < 1-4 NB = 438.0481 1-4 EEL = 5104.1587 VDWAALS = -969.8907 > 1-4 NB = 432.5699 1-4 EEL = 4472.1360 VDWAALS = -486.0633 256c256 < EELEC = -8144.3915 EGB = -3433.8935 RESTRAINT = 0. > EELEC = -11116.4729 EGB = -11489.7359 RESTRAINT = 0. 258c258 < NSTEP = 31 TIME(PS) = 0.062 TEMP(K) = 309.53 PRESS = 0. > NSTEP = 31 TIME(PS) = 0.062 TEMP(K) = 329.39 PRESS = 0. 259c259 < Etot = -2006.1857 EKtot = 1761.9593 EPtot = -3768.1450 > Etot = -12633.4298 EKtot = 1874.9691 EPtot = -14508.3989 260c260 < BOND = 486.9887 ANGLE = 1307.2737 DIHED = 1436.4433 > BOND = 674.1217 ANGLE = 1684.1912 DIHED = 1508.7764 261c261 < 1-4 NB = 435.3246 1-4 EEL = 5140.4568 VDWAALS = -970.0539 > 1-4 NB = 431.5596 1-4 EEL = 4459.3484 VDWAALS = -458.4144 262c262 < EELEC = -8293.5587 EGB = -3311.0194 RESTRAINT = 0. > EELEC = -11211.8725 EGB = -11596.1093 RESTRAINT = 0. 264c264 < NSTEP = 32 TIME(PS) = 0.064 TEMP(K) = 308.85 PRESS = 0. > NSTEP = 32 TIME(PS) = 0.064 TEMP(K) = 329.66 PRESS = 0. 265c265 < Etot = -2005.6140 EKtot = 1758.0888 EPtot = -3763.7028 > Etot = -12802.9191 EKtot = 1876.5016 EPtot = -14679.4207 266c266 < BOND = 489.1238 ANGLE = 1308.5747 DIHED = 1442.7922 > BOND = 664.2441 ANGLE = 1699.1910 DIHED = 1515.1065 267c267 < 1-4 NB = 432.9753 1-4 EEL = 5149.2701 VDWAALS = -969.2914 > 1-4 NB = 430.2288 1-4 EEL = 4454.0252 VDWAALS = -445.0674 268c268 < EELEC = -8311.9525 EGB = -3305.1949 RESTRAINT = 0. > EELEC = -11310.2581 EGB = -11686.8909 RESTRAINT = 0. 270c270 < NSTEP = 33 TIME(PS) = 0.066 TEMP(K) = 306.42 PRESS = 0. > NSTEP = 33 TIME(PS) = 0.066 TEMP(K) = 327.54 PRESS = 0. 271c271 < Etot = -2004.5956 EKtot = 1744.2244 EPtot = -3748.8200 > Etot = -12929.3849 EKtot = 1864.4448 EPtot = -14793.8296 272c272 < BOND = 498.4693 ANGLE = 1311.7665 DIHED = 1446.6266 > BOND = 665.1292 ANGLE = 1709.7597 DIHED = 1517.8880 273c273 < 1-4 NB = 431.6591 1-4 EEL = 5163.1340 VDWAALS = -966.6322 > 1-4 NB = 427.9695 1-4 EEL = 4462.9355 VDWAALS = -434.6129 274c274 < EELEC = -8335.3550 EGB = -3298.4882 RESTRAINT = 0. > EELEC = -11412.0210 EGB = -11730.8777 RESTRAINT = 0. 276c276 < NSTEP = 34 TIME(PS) = 0.068 TEMP(K) = 304.94 PRESS = 0. > NSTEP = 34 TIME(PS) = 0.068 TEMP(K) = 326.19 PRESS = 0. 277c277 < Etot = -2003.9756 EKtot = 1735.8026 EPtot = -3739.7782 > Etot = -13070.5956 EKtot = 1856.7660 EPtot = -14927.3615 278c278 < BOND = 505.4495 ANGLE = 1313.9160 DIHED = 1446.0240 > BOND = 666.4237 ANGLE = 1702.4416 DIHED = 1515.3717 279c279 < 1-4 NB = 431.3309 1-4 EEL = 5177.9023 VDWAALS = -964.3214 > 1-4 NB = 425.7711 1-4 EEL = 4488.7839 VDWAALS = -396.3183 280c280 < EELEC = -8357.8219 EGB = -3292.2577 RESTRAINT = 0. > EELEC = -11517.0458 EGB = -11812.7896 RESTRAINT = 0. 282c282 < NSTEP = 35 TIME(PS) = 0.070 TEMP(K) = 306.00 PRESS = 0. > NSTEP = 35 TIME(PS) = 0.070 TEMP(K) = 327.71 PRESS = 0. 283c283 < Etot = -2018.2710 EKtot = 1741.8269 EPtot = -3760.0979 > Etot = -13220.0213 EKtot = 1865.4133 EPtot = -15085.4346 284c284 < BOND = 502.9379 ANGLE = 1314.1329 DIHED = 1440.7785 > BOND = 658.9398 ANGLE = 1675.3743 DIHED = 1507.3207 285c285 < 1-4 NB = 431.4191 1-4 EEL = 5154.5188 VDWAALS = -963.6398 > 1-4 NB = 423.5480 1-4 EEL = 4528.6300 VDWAALS = -380.3497 286c286 < EELEC = -8231.7495 EGB = -3408.4958 RESTRAINT = 0. > EELEC = -11623.2341 EGB = -11875.6636 RESTRAINT = 0. 288c288 < NSTEP = 36 TIME(PS) = 0.072 TEMP(K) = 308.93 PRESS = 0. > NSTEP = 36 TIME(PS) = 0.072 TEMP(K) = 331.98 PRESS = 0. 289c289 < Etot = -2019.2730 EKtot = 1758.5501 EPtot = -3777.8231 > Etot = -13352.5238 EKtot = 1889.7316 EPtot = -15242.2554 290c290 < BOND = 493.5935 ANGLE = 1310.1736 DIHED = 1432.7571 > BOND = 644.7866 ANGLE = 1632.8786 DIHED = 1495.5880 291c291 < 1-4 NB = 431.4717 1-4 EEL = 5162.0872 VDWAALS = -962.9571 > 1-4 NB = 421.5046 1-4 EEL = 4573.9851 VDWAALS = -350.2439 292c292 < EELEC = -8238.6711 EGB = -3406.2781 RESTRAINT = 0. > EELEC = -11726.7942 EGB = -11933.9601 RESTRAINT = 0. 294c294 < NSTEP = 37 TIME(PS) = 0.074 TEMP(K) = 311.31 PRESS = 0. > NSTEP = 37 TIME(PS) = 0.074 TEMP(K) = 336.76 PRESS = 0. 295c295 < Etot = -2006.2440 EKtot = 1772.0630 EPtot = -3778.3070 > Etot = -13472.2473 EKtot = 1916.9412 EPtot = -15389.1886 296c296 < BOND = 485.2653 ANGLE = 1305.7101 DIHED = 1424.9596 > BOND = 630.9011 ANGLE = 1587.2221 DIHED = 1483.5949 297c297 < 1-4 NB = 431.5373 1-4 EEL = 5200.6139 VDWAALS = -962.0278 > 1-4 NB = 420.1335 1-4 EEL = 4614.9443 VDWAALS = -311.6504 298c298 < EELEC = -8381.2999 EGB = -3283.0655 RESTRAINT = 0. > EELEC = -11819.1067 EGB = -11995.2273 RESTRAINT = 0. 300c300 < NSTEP = 38 TIME(PS) = 0.076 TEMP(K) = 311.03 PRESS = 0. > NSTEP = 38 TIME(PS) = 0.076 TEMP(K) = 338.95 PRESS = 0. 301c301 < Etot = -2005.9691 EKtot = 1770.4666 EPtot = -3776.4358 > Etot = -13578.3047 EKtot = 1929.4003 EPtot = -15507.7051 302c302 < BOND = 480.9822 ANGLE = 1309.5402 DIHED = 1419.7256 > BOND = 618.5379 ANGLE = 1560.3096 DIHED = 1474.3350 303c303 < 1-4 NB = 431.9625 1-4 EEL = 5201.0684 VDWAALS = -961.9422 > 1-4 NB = 419.7710 1-4 EEL = 4644.9270 VDWAALS = -282.7503 304c304 < EELEC = -8374.8090 EGB = -3282.9635 RESTRAINT = 0. > EELEC = -11892.0051 EGB = -12050.8302 RESTRAINT = 0. 306c306 < NSTEP = 39 TIME(PS) = 0.078 TEMP(K) = 308.86 PRESS = 0. > NSTEP = 39 TIME(PS) = 0.078 TEMP(K) = 337.50 PRESS = 0. 307c307 < Etot = -2004.9107 EKtot = 1758.1433 EPtot = -3763.0540 > Etot = -13695.5210 EKtot = 1921.1405 EPtot = -15616.6616 308c308 < BOND = 475.8026 ANGLE = 1321.8764 DIHED = 1417.4782 > BOND = 603.0001 ANGLE = 1565.4428 DIHED = 1468.8387 309c309 < 1-4 NB = 433.0902 1-4 EEL = 5202.2869 VDWAALS = -963.1938 > 1-4 NB = 420.8531 1-4 EEL = 4662.5188 VDWAALS = -269.7087 310c310 < EELEC = -8367.9929 EGB = -3282.4016 RESTRAINT = 0. > EELEC = -11954.5922 EGB = -12113.0142 RESTRAINT = 0. 312c312 < NSTEP = 40 TIME(PS) = 0.080 TEMP(K) = 307.26 PRESS = 0. > NSTEP = 40 TIME(PS) = 0.080 TEMP(K) = 334.44 PRESS = 0. 313c313 < Etot = -2004.8416 EKtot = 1749.0125 EPtot = -3753.8540 > Etot = -13821.8177 EKtot = 1903.7145 EPtot = -15725.5322 314c314 < BOND = 464.2903 ANGLE = 1333.1094 DIHED = 1417.1611 > BOND = 582.3019 ANGLE = 1592.3492 DIHED = 1466.3738 315c315 < 1-4 NB = 434.9120 1-4 EEL = 5206.7985 VDWAALS = -964.6129 > 1-4 NB = 423.3801 1-4 EEL = 4670.4555 VDWAALS = -264.3585 316c316 < EELEC = -8365.3769 EGB = -3280.1355 RESTRAINT = 0. > EELEC = -12026.1263 EGB = -12169.9079 RESTRAINT = 0. 318c318 < NSTEP = 41 TIME(PS) = 0.082 TEMP(K) = 306.74 PRESS = 0. > NSTEP = 41 TIME(PS) = 0.082 TEMP(K) = 331.96 PRESS = 0. 319c319 < Etot = -2018.9435 EKtot = 1746.0701 EPtot = -3765.0136 > Etot = -13928.5816 EKtot = 1889.6285 EPtot = -15818.2100 320c320 < BOND = 449.5275 ANGLE = 1338.9939 DIHED = 1417.5151 > BOND = 562.6530 ANGLE = 1621.3461 DIHED = 1465.5822 321c321 < 1-4 NB = 436.9369 1-4 EEL = 5179.3665 VDWAALS = -964.4227 > 1-4 NB = 426.4888 1-4 EEL = 4673.3687 VDWAALS = -236.3075 322c322 < EELEC = -8223.4994 EGB = -3399.4314 RESTRAINT = 0. > EELEC = -12105.5961 EGB = -12225.7453 RESTRAINT = 0. 324c324 < NSTEP = 42 TIME(PS) = 0.084 TEMP(K) = 306.70 PRESS = 0. > NSTEP = 42 TIME(PS) = 0.084 TEMP(K) = 331.12 PRESS = 0. 325c325 < Etot = -2018.5221 EKtot = 1745.8068 EPtot = -3764.3289 > Etot = -14013.3405 EKtot = 1884.8342 EPtot = -15898.1747 326c326 < BOND = 441.9098 ANGLE = 1336.6031 DIHED = 1418.0830 > BOND = 553.9577 ANGLE = 1634.2470 DIHED = 1465.7116 327c327 < 1-4 NB = 438.5402 1-4 EEL = 5188.7631 VDWAALS = -962.5711 > 1-4 NB = 429.2454 1-4 EEL = 4675.7683 VDWAALS = -187.3143 328c328 < EELEC = -8230.6315 EGB = -3395.0255 RESTRAINT = 0. > EELEC = -12191.5351 EGB = -12278.2552 RESTRAINT = 0. 330c330 < NSTEP = 43 TIME(PS) = 0.086 TEMP(K) = 307.94 PRESS = 0. > NSTEP = 43 TIME(PS) = 0.086 TEMP(K) = 332.86 PRESS = 0. 331c331 < Etot = -2004.3847 EKtot = 1752.9149 EPtot = -3757.2996 > Etot = -14164.6991 EKtot = 1894.7421 EPtot = -16059.4412 332c332 < BOND = 448.2211 ANGLE = 1315.6528 DIHED = 1419.3373 > BOND = 561.4037 ANGLE = 1614.2183 DIHED = 1466.9088 333c333 < 1-4 NB = 439.4597 1-4 EEL = 5231.7471 VDWAALS = -960.6448 > 1-4 NB = 431.3659 1-4 EEL = 4680.6255 VDWAALS = -202.6393 334c334 < EELEC = -8484.0319 EGB = -3167.0410 RESTRAINT = 0. > EELEC = -12280.7847 EGB = -12330.5395 RESTRAINT = 0. 336c336 < NSTEP = 44 TIME(PS) = 0.088 TEMP(K) = 310.50 PRESS = 0. > NSTEP = 44 TIME(PS) = 0.088 TEMP(K) = 336.19 PRESS = 0. 337c337 < Etot = -2005.7484 EKtot = 1767.4449 EPtot = -3773.1933 > Etot = -14337.0001 EKtot = 1913.7016 EPtot = -16250.7017 338c338 < BOND = 463.7139 ANGLE = 1280.5887 DIHED = 1421.9098 > BOND = 581.5165 ANGLE = 1565.4000 DIHED = 1469.5391 339c339 < 1-4 NB = 440.0182 1-4 EEL = 5233.9807 VDWAALS = -960.2479 > 1-4 NB = 433.3579 1-4 EEL = 4688.2708 VDWAALS = -183.8894 340c340 < EELEC = -8487.1401 EGB = -3166.0165 RESTRAINT = 0. > EELEC = -12420.4682 EGB = -12384.4284 RESTRAINT = 0. 342c342 < NSTEP = 45 TIME(PS) = 0.090 TEMP(K) = 311.46 PRESS = 0. > NSTEP = 45 TIME(PS) = 0.090 TEMP(K) = 337.10 PRESS = 0. 343c343 < Etot = -2020.4710 EKtot = 1772.9165 EPtot = -3793.3875 > Etot = -14377.2325 EKtot = 1918.8687 EPtot = -16296.1012 344c344 < BOND = 476.2451 ANGLE = 1261.5088 DIHED = 1426.1129 > BOND = 603.9961 ANGLE = 1523.2669 DIHED = 1473.7920 345c345 < 1-4 NB = 440.8885 1-4 EEL = 5193.9737 VDWAALS = -962.0570 > 1-4 NB = 435.9772 1-4 EEL = 4695.8377 VDWAALS = -171.7357 346c346 < EELEC = -8238.1895 EGB = -3391.8700 RESTRAINT = 0. > EELEC = -12429.3280 EGB = -12427.9073 RESTRAINT = 0. 348c348 < NSTEP = 46 TIME(PS) = 0.092 TEMP(K) = 309.06 PRESS = 0. > NSTEP = 46 TIME(PS) = 0.092 TEMP(K) = 333.63 PRESS = 0. 349c349 < Etot = -2019.3298 EKtot = 1759.2931 EPtot = -3778.6229 > Etot = -14512.5948 EKtot = 1899.1505 EPtot = -16411.7452 350c350 < BOND = 477.5049 ANGLE = 1277.6864 DIHED = 1431.6458 > BOND = 617.7447 ANGLE = 1517.2167 DIHED = 1479.1690 351c351 < 1-4 NB = 442.8185 1-4 EEL = 5182.8797 VDWAALS = -965.7560 > 1-4 NB = 439.5772 1-4 EEL = 4698.3273 VDWAALS = -170.6098 352c352 < EELEC = -8233.2499 EGB = -3392.1523 RESTRAINT = 0. > EELEC = -12482.9412 EGB = -12510.2291 RESTRAINT = 0. 354c354 < NSTEP = 47 TIME(PS) = 0.094 TEMP(K) = 305.97 PRESS = 0. > NSTEP = 47 TIME(PS) = 0.094 TEMP(K) = 329.80 PRESS = 0. 355c355 < Etot = -2004.4121 EKtot = 1741.6938 EPtot = -3746.1058 > Etot = -14766.4606 EKtot = 1877.3093 EPtot = -16643.7699 356c356 < BOND = 469.8371 ANGLE = 1310.2964 DIHED = 1437.2043 > BOND = 619.1196 ANGLE = 1533.7146 DIHED = 1483.8817 357c357 < 1-4 NB = 445.3861 1-4 EEL = 5203.0084 VDWAALS = -970.2680 > 1-4 NB = 443.9520 1-4 EEL = 4691.4595 VDWAALS = -148.7627 358c358 < EELEC = -8476.4774 EGB = -3165.0928 RESTRAINT = 0. > EELEC = -12664.8955 EGB = -12602.2390 RESTRAINT = 0. 360c360 < NSTEP = 48 TIME(PS) = 0.096 TEMP(K) = 305.13 PRESS = 0. > NSTEP = 48 TIME(PS) = 0.096 TEMP(K) = 330.01 PRESS = 0. 361c361 < Etot = -2004.9601 EKtot = 1736.9067 EPtot = -3741.8667 > Etot = -14570.7702 EKtot = 1878.5084 EPtot = -16449.2786 362c362 < BOND = 462.8268 ANGLE = 1331.8622 DIHED = 1440.9782 > BOND = 615.4610 ANGLE = 1543.3335 DIHED = 1485.7149 363c363 < 1-4 NB = 447.2286 1-4 EEL = 5187.3675 VDWAALS = -974.4556 > 1-4 NB = 448.2184 1-4 EEL = 4674.4683 VDWAALS = -88.1635 364c364 < EELEC = -8475.3940 EGB = -3162.2805 RESTRAINT = 0. > EELEC = -12459.1849 EGB = -12669.1263 RESTRAINT = 0. 366c366 < NSTEP = 49 TIME(PS) = 0.098 TEMP(K) = 305.69 PRESS = 0. > NSTEP = 49 TIME(PS) = 0.098 TEMP(K) = 332.64 PRESS = 0. 367c367 < Etot = -2019.2471 EKtot = 1740.0909 EPtot = -3759.3380 > Etot = -14562.8851 EKtot = 1893.5178 EPtot = -16456.4029 368c368 < BOND = 463.9791 ANGLE = 1339.6544 DIHED = 1441.8195 > BOND = 616.8060 ANGLE = 1547.4839 DIHED = 1483.6933 369c369 < 1-4 NB = 447.9703 1-4 EEL = 5139.5951 VDWAALS = -976.9475 > 1-4 NB = 451.5499 1-4 EEL = 4614.6423 VDWAALS = 42.7425 370c370 < EELEC = -8231.7289 EGB = -3383.6800 RESTRAINT = 0. > EELEC = -12285.4644 EGB = -12927.8563 RESTRAINT = 0. 372c372 < NSTEP = 50 TIME(PS) = 0.100 TEMP(K) = 306.26 PRESS = 0. > NSTEP = 50 TIME(PS) = 0.100 TEMP(K) = 334.01 PRESS = 0. 373c373 < Etot = -2018.7507 EKtot = 1743.3251 EPtot = -3762.0758 > Etot = -14672.4007 EKtot = 1901.3105 EPtot = -16573.7111 374c374 < BOND = 473.0471 ANGLE = 1339.7124 DIHED = 1440.3135 > BOND = 623.5322 ANGLE = 1563.5182 DIHED = 1479.0604 375c375 < 1-4 NB = 447.9979 1-4 EEL = 5132.9978 VDWAALS = -977.2464 > 1-4 NB = 454.0937 1-4 EEL = 4589.3741 VDWAALS = -34.0600 376c376 < EELEC = -8240.1212 EGB = -3378.7769 RESTRAINT = 0. > EELEC = -12271.6337 EGB = -12977.5961 RESTRAINT = 0. 379c379 < NSTEP = 50 TIME(PS) = 0.100 TEMP(K) = 306.44 PRESS = 0. > NSTEP = 50 TIME(PS) = 0.100 TEMP(K) = 326.77 PRESS = 0. 380c380 < Etot = -2009.0754 EKtot = 1744.3717 EPtot = -3753.4471 > Etot = -11996.6717 EKtot = 1860.1040 EPtot = -13856.7756 381c381 < BOND = 473.6621 ANGLE = 1301.7462 DIHED = 1435.1707 > BOND = 590.9997 ANGLE = 1553.5616 DIHED = 1478.8079 382c382 < 1-4 NB = 446.2338 1-4 EEL = 5188.8348 VDWAALS = -980.6897 > 1-4 NB = 444.4287 1-4 EEL = 4714.8733 VDWAALS = -619.2181 383c383 < EELEC = -8306.0809 EGB = -3312.3240 RESTRAINT = 0. > EELEC = -10595.2574 EGB = -11424.9713 RESTRAINT = 0. 386c386 < NSTEP = 50 TIME(PS) = 0.100 TEMP(K) = 4.17 PRESS = 0. > NSTEP = 50 TIME(PS) = 0.100 TEMP(K) = 8.15 PRESS = 0. 387c387 < Etot = 18.3718 EKtot = 23.7215 EPtot = 28.0310 > Etot = 1713.9159 EKtot = 46.3771 EPtot = 1748.9555 388c388 < BOND = 17.6543 ANGLE = 23.2613 DIHED = 13.9045 > BOND = 60.0432 ANGLE = 124.4149 DIHED = 26.3111 389c389 < 1-4 NB = 9.5095 1-4 EEL = 39.1339 VDWAALS = 14.0735 > 1-4 NB = 13.6874 1-4 EEL = 223.1771 VDWAALS = 333.6400 390c390 < EELEC = 125.3560 EGB = 111.9006 RESTRAINT = 0. > EELEC = 1339.7130 EGB = 720.3626 RESTRAINT = 0. ### Maximum absolute error in matching lines = 1.28e+04 at line 355 field 3 ### Maximum relative error in matching lines = 9.23e+01 at line 387 field 3 --------------------------------------- possible FAILURE: check ceout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/cnste/implicit 7,8c7,8 < Residue 0 State: 1 < Residue 1 State: 1 --- > Residue 0 State: 0 > Residue 1 State: 0 10,12d9 < Residue 1 State: 1 < Residue 1 State: 1 < Residue 1 State: 1 14,15d10 < Residue 0 State: 1 < Residue 1 State: 1 17d11 < Residue 1 State: 1 20d13 < Residue 0 State: 1 22,23c15,20 < Residue 1 State: 1 < Residue 0 State: 1 --- > Residue 1 State: 0 > Residue 1 State: 0 > Residue 1 State: 0 > Residue 1 State: 0 > Residue 1 State: 0 > Residue 0 State: 0 25,26d21 < Residue 1 State: 1 < Residue 0 State: 1 28c23,28 < Residue 1 State: 1 --- > Residue 0 State: 0 > Residue 0 State: 0 > Residue 1 State: 0 > Residue 0 State: 0 > Residue 1 State: 0 > Residue 1 State: 0 35c35 < Residue 0 State: 1 --- > Residue 0 State: 0 --------------------------------------- possible FAILURE: check mdout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/cnstphe/implicit 78c78 < Etot = -1644.8842 EKtot = 2047.9093 EPtot = -3692.7935 > Etot = -9106.6698 EKtot = 2047.9093 EPtot = -11154.5790 81c81 < EELEC = -8731.9894 EGB = -3138.0305 RESTRAINT = 0. > EELEC = -8731.9894 EGB = -10599.8160 RESTRAINT = 0. 83c83 < NSTEP = 1 TIME(PS) = 0.002 TEMP(K) = 309.75 PRESS = 0. > NSTEP = 1 TIME(PS) = 0.002 TEMP(K) = 309.77 PRESS = 0. 84c84 < Etot = -1929.6024 EKtot = 1763.1911 EPtot = -3692.7935 > Etot = -9391.2801 EKtot = 1763.2989 EPtot = -11154.5790 87c87 < EELEC = -8731.9894 EGB = -3138.0305 RESTRAINT = 0. > EELEC = -8731.9894 EGB = -10599.8160 RESTRAINT = 0. 89c89 < NSTEP = 2 TIME(PS) = 0.004 TEMP(K) = 300.20 PRESS = 0. > NSTEP = 2 TIME(PS) = 0.004 TEMP(K) = 302.38 PRESS = 0. 90c90 < Etot = -2029.1939 EKtot = 1708.8247 EPtot = -3738.0186 > Etot = -9495.2272 EKtot = 1721.2246 EPtot = -11216.4518 91c91 < BOND = 463.8477 ANGLE = 1289.4373 DIHED = 1430.5384 > BOND = 464.5481 ANGLE = 1291.2187 DIHED = 1430.3628 92c92 < 1-4 NB = 455.6570 1-4 EEL = 5469.4860 VDWAALS = -985.1595 > 1-4 NB = 455.9474 1-4 EEL = 5455.9522 VDWAALS = -985.1171 93c93 < EELEC = -8721.1017 EGB = -3140.7239 RESTRAINT = 0. > EELEC = -8732.5808 EGB = -10596.7831 RESTRAINT = 0. 95c95 < NSTEP = 3 TIME(PS) = 0.006 TEMP(K) = 307.13 PRESS = 0. > NSTEP = 3 TIME(PS) = 0.006 TEMP(K) = 312.99 PRESS = 0. 96c96 < Etot = -2031.5138 EKtot = 1748.2605 EPtot = -3779.7743 > Etot = -9520.0515 EKtot = 1781.6188 EPtot = -11301.6703 97c97 < BOND = 451.4282 ANGLE = 1266.2191 DIHED = 1425.1875 > BOND = 454.8325 ANGLE = 1282.4403 DIHED = 1424.7137 98c98 < 1-4 NB = 455.5641 1-4 EEL = 5465.9559 VDWAALS = -986.7556 > 1-4 NB = 456.5910 1-4 EEL = 5414.3641 VDWAALS = -986.8751 99c99 < EELEC = -8713.9466 EGB = -3143.4268 RESTRAINT = 0. > EELEC = -8756.3173 EGB = -10591.4195 RESTRAINT = 0. 101c101 < NSTEP = 4 TIME(PS) = 0.008 TEMP(K) = 307.91 PRESS = 0. > NSTEP = 4 TIME(PS) = 0.008 TEMP(K) = 316.02 PRESS = 0. 102c102 < Etot = -2031.2854 EKtot = 1752.7360 EPtot = -3784.0214 > Etot = -9558.6145 EKtot = 1798.8889 EPtot = -11357.5034 103c103 < BOND = 445.7262 ANGLE = 1274.5530 DIHED = 1421.2069 > BOND = 454.4444 ANGLE = 1326.0140 DIHED = 1420.7440 104c104 < 1-4 NB = 456.2705 1-4 EEL = 5465.1779 VDWAALS = -988.8589 > 1-4 NB = 458.2767 1-4 EEL = 5358.9229 VDWAALS = -989.0803 105c105 < EELEC = -8711.7806 EGB = -3146.3165 RESTRAINT = 0. > EELEC = -8799.9876 EGB = -10586.8375 RESTRAINT = 0. 107c107 < NSTEP = 5 TIME(PS) = 0.010 TEMP(K) = 303.37 PRESS = 0. > NSTEP = 5 TIME(PS) = 0.010 TEMP(K) = 312.26 PRESS = 0. 108c108 < Etot = -2028.3937 EKtot = 1726.8565 EPtot = -3755.2502 > Etot = -9610.3881 EKtot = 1777.4915 EPtot = -11387.8796 109c109 < BOND = 450.8268 ANGLE = 1304.5375 DIHED = 1420.6284 > BOND = 468.2879 ANGLE = 1399.0098 DIHED = 1420.7547 110c110 < 1-4 NB = 456.9906 1-4 EEL = 5467.4881 VDWAALS = -992.1065 > 1-4 NB = 459.8220 1-4 EEL = 5301.5856 VDWAALS = -991.5164 111c111 < EELEC = -8713.8404 EGB = -3149.7748 RESTRAINT = 0. > EELEC = -8858.9782 EGB = -10586.8451 RESTRAINT = 0. 113c113 < NSTEP = 6 TIME(PS) = 0.012 TEMP(K) = 300.42 PRESS = 0. > NSTEP = 6 TIME(PS) = 0.012 TEMP(K) = 310.77 PRESS = 0. 114c114 < Etot = -2026.3704 EKtot = 1710.0557 EPtot = -3736.4262 > Etot = -9684.6401 EKtot = 1769.0220 EPtot = -11453.6620 115c115 < BOND = 457.5915 ANGLE = 1320.3256 DIHED = 1424.0157 > BOND = 490.2049 ANGLE = 1439.4423 DIHED = 1425.3525 116c116 < 1-4 NB = 457.3864 1-4 EEL = 5471.5532 VDWAALS = -995.6785 > 1-4 NB = 460.3221 1-4 EEL = 5218.0540 VDWAALS = -993.0069 117c117 < EELEC = -8717.6413 EGB = -3153.9788 RESTRAINT = 0. > EELEC = -8787.1349 EGB = -10706.8960 RESTRAINT = 0. 119c119 < NSTEP = 7 TIME(PS) = 0.014 TEMP(K) = 303.57 PRESS = 0. > NSTEP = 7 TIME(PS) = 0.014 TEMP(K) = 316.82 PRESS = 0. 120c120 < Etot = -2042.7252 EKtot = 1727.9875 EPtot = -3770.7127 > Etot = -9772.0435 EKtot = 1803.4620 EPtot = -11575.5055 121c121 < BOND = 456.9749 ANGLE = 1300.1295 DIHED = 1430.6350 > BOND = 515.1397 ANGLE = 1413.2855 DIHED = 1433.7719 122c122 < 1-4 NB = 457.8241 1-4 EEL = 5439.6741 VDWAALS = -998.1443 > 1-4 NB = 459.7736 1-4 EEL = 5179.8646 VDWAALS = -992.5356 123c123 < EELEC = -8493.0571 EGB = -3364.7489 RESTRAINT = 0. > EELEC = -8862.0333 EGB = -10722.7718 RESTRAINT = 0. 125c125 < NSTEP = 8 TIME(PS) = 0.016 TEMP(K) = 308.40 PRESS = 0. > NSTEP = 8 TIME(PS) = 0.016 TEMP(K) = 324.28 PRESS = 0. 126c126 < Etot = -2045.8081 EKtot = 1755.5110 EPtot = -3801.3191 > Etot = -9873.2953 EKtot = 1845.8870 EPtot = -11719.1823 127c127 < BOND = 451.1063 ANGLE = 1269.0206 DIHED = 1439.5588 > BOND = 544.7845 ANGLE = 1359.4704 DIHED = 1444.9593 128c128 < 1-4 NB = 458.8117 1-4 EEL = 5440.3581 VDWAALS = -998.8646 > 1-4 NB = 458.7244 1-4 EEL = 5150.1308 VDWAALS = -990.0220 129c129 < EELEC = -8493.1818 EGB = -3368.1282 RESTRAINT = 0. > EELEC = -8940.1665 EGB = -10747.0632 RESTRAINT = 0. 131c131 < NSTEP = 9 TIME(PS) = 0.018 TEMP(K) = 308.04 PRESS = 0. > NSTEP = 9 TIME(PS) = 0.018 TEMP(K) = 324.75 PRESS = 0. 132c132 < Etot = -2031.1101 EKtot = 1753.4450 EPtot = -3784.5551 > Etot = -9981.1483 EKtot = 1848.5752 EPtot = -11829.7235 133c133 < BOND = 448.5911 ANGLE = 1263.8307 DIHED = 1449.6061 > BOND = 579.2702 ANGLE = 1338.2942 DIHED = 1457.5199 134c134 < 1-4 NB = 460.4373 1-4 EEL = 5472.6101 VDWAALS = -998.4335 > 1-4 NB = 457.7111 1-4 EEL = 5121.9485 VDWAALS = -986.1019 135c135 < EELEC = -8717.0703 EGB = -3164.1268 RESTRAINT = 0. > EELEC = -9020.5777 EGB = -10777.7877 RESTRAINT = 0. 137c137 < NSTEP = 10 TIME(PS) = 0.020 TEMP(K) = 302.64 PRESS = 0. > NSTEP = 10 TIME(PS) = 0.020 TEMP(K) = 319.42 PRESS = 0. 138c138 < Etot = -2028.8242 EKtot = 1722.7202 EPtot = -3751.5444 > Etot = -10086.2694 EKtot = 1818.2233 EPtot = -11904.4928 139c139 < BOND = 454.1498 ANGLE = 1282.3142 DIHED = 1458.7466 > BOND = 610.8834 ANGLE = 1358.6908 DIHED = 1469.2885 140c140 < 1-4 NB = 462.0726 1-4 EEL = 5465.3674 VDWAALS = -998.1370 > 1-4 NB = 456.8098 1-4 EEL = 5088.5609 VDWAALS = -980.9339 141c141 < EELEC = -8713.4486 EGB = -3162.6093 RESTRAINT = 0. > EELEC = -9103.7881 EGB = -10804.0042 RESTRAINT = 0. 143c143 < NSTEP = 11 TIME(PS) = 0.022 TEMP(K) = 297.55 PRESS = 0. > NSTEP = 11 TIME(PS) = 0.022 TEMP(K) = 315.63 PRESS = 0. 144c144 < Etot = -2027.5360 EKtot = 1693.7618 EPtot = -3721.2978 > Etot = -10192.0952 EKtot = 1796.6914 EPtot = -11988.7867 145c145 < BOND = 465.3644 ANGLE = 1298.1368 DIHED = 1464.5977 > BOND = 629.5720 ANGLE = 1392.6078 DIHED = 1477.9418 146c146 < 1-4 NB = 462.6883 1-4 EEL = 5455.3210 VDWAALS = -998.5139 > 1-4 NB = 455.6671 1-4 EEL = 5046.2277 VDWAALS = -973.9210 147c147 < EELEC = -8711.1333 EGB = -3157.7588 RESTRAINT = 0. > EELEC = -9191.2191 EGB = -10825.6629 RESTRAINT = 0. 149c149 < NSTEP = 12 TIME(PS) = 0.024 TEMP(K) = 296.48 PRESS = 0. > NSTEP = 12 TIME(PS) = 0.024 TEMP(K) = 316.85 PRESS = 0. 150c150 < Etot = -2027.2692 EKtot = 1687.6347 EPtot = -3714.9040 > Etot = -10299.7432 EKtot = 1803.6075 EPtot = -12103.3507 151c151 < BOND = 475.3930 ANGLE = 1300.6564 DIHED = 1465.5810 > BOND = 630.2988 ANGLE = 1429.0214 DIHED = 1482.2617 152c152 < 1-4 NB = 461.2909 1-4 EEL = 5444.5386 VDWAALS = -999.7783 > 1-4 NB = 453.8104 1-4 EEL = 4995.5826 VDWAALS = -965.0600 153c153 < EELEC = -8712.0163 EGB = -3150.5692 RESTRAINT = 0. > EELEC = -9284.2959 EGB = -10844.9697 RESTRAINT = 0. 155c155 < NSTEP = 13 TIME(PS) = 0.026 TEMP(K) = 300.05 PRESS = 0. > NSTEP = 13 TIME(PS) = 0.026 TEMP(K) = 321.68 PRESS = 0. 156c156 < Etot = -2027.8811 EKtot = 1707.9930 EPtot = -3735.8741 > Etot = -10398.1661 EKtot = 1831.1202 EPtot = -12229.2864 157c157 < BOND = 477.3669 ANGLE = 1293.2652 DIHED = 1462.0081 > BOND = 613.7682 ANGLE = 1472.6816 DIHED = 1482.9755 158c158 < 1-4 NB = 457.6695 1-4 EEL = 5435.2381 VDWAALS = -1001.6986 > 1-4 NB = 451.2062 1-4 EEL = 4942.0054 VDWAALS = -955.2787 159c159 < EELEC = -8716.9952 EGB = -3142.7279 RESTRAINT = 0. > EELEC = -9383.4843 EGB = -10853.1602 RESTRAINT = 0. 161c161 < NSTEP = 14 TIME(PS) = 0.028 TEMP(K) = 306.34 PRESS = 0. > NSTEP = 14 TIME(PS) = 0.028 TEMP(K) = 328.17 PRESS = 0. 162c162 < Etot = -2029.7488 EKtot = 1743.8040 EPtot = -3773.5528 > Etot = -10497.5505 EKtot = 1868.0269 EPtot = -12365.5774 163c163 < BOND = 469.8046 ANGLE = 1282.1587 DIHED = 1456.2608 > BOND = 585.2552 ANGLE = 1517.1442 DIHED = 1482.5154 164c164 < 1-4 NB = 452.9930 1-4 EEL = 5428.7273 VDWAALS = -1002.7853 > 1-4 NB = 448.6518 1-4 EEL = 4894.4088 VDWAALS = -944.1608 165c165 < EELEC = -8724.7029 EGB = -3136.0089 RESTRAINT = 0. > EELEC = -9487.8365 EGB = -10861.5555 RESTRAINT = 0. 167c167 < NSTEP = 15 TIME(PS) = 0.030 TEMP(K) = 310.65 PRESS = 0. > NSTEP = 15 TIME(PS) = 0.030 TEMP(K) = 333.94 PRESS = 0. 168c168 < Etot = -2031.5984 EKtot = 1768.3265 EPtot = -3799.9250 > Etot = -10600.9144 EKtot = 1900.8809 EPtot = -12501.7953 169c169 < BOND = 459.8909 ANGLE = 1280.2396 DIHED = 1451.6741 > BOND = 555.9930 ANGLE = 1549.6958 DIHED = 1483.7929 170c170 < 1-4 NB = 449.0642 1-4 EEL = 5424.7821 VDWAALS = -1002.3353 > 1-4 NB = 446.9815 1-4 EEL = 4861.4805 VDWAALS = -930.0438 171c171 < EELEC = -8731.6401 EGB = -3131.6003 RESTRAINT = 0. > EELEC = -9594.3854 EGB = -10875.3097 RESTRAINT = 0. 173c173 < NSTEP = 16 TIME(PS) = 0.032 TEMP(K) = 308.73 PRESS = 0. > NSTEP = 16 TIME(PS) = 0.032 TEMP(K) = 335.15 PRESS = 0. 174c174 < Etot = -2031.1157 EKtot = 1757.4127 EPtot = -3788.5284 > Etot = -10684.7919 EKtot = 1907.7835 EPtot = -12592.5754 175c175 < BOND = 459.6503 ANGLE = 1297.7733 DIHED = 1450.2893 > BOND = 542.0507 ANGLE = 1569.8909 DIHED = 1488.5173 176c176 < 1-4 NB = 446.8872 1-4 EEL = 5422.0018 VDWAALS = -1001.1247 > 1-4 NB = 446.1886 1-4 EEL = 4846.5906 VDWAALS = -915.1182 177c177 < EELEC = -8734.1376 EGB = -3129.8679 RESTRAINT = 0. > EELEC = -9699.2098 EGB = -10871.4855 RESTRAINT = 0. 179c179 < NSTEP = 17 TIME(PS) = 0.034 TEMP(K) = 301.98 PRESS = 0. > NSTEP = 17 TIME(PS) = 0.034 TEMP(K) = 329.83 PRESS = 0. 180c180 < Etot = -2028.5368 EKtot = 1718.9494 EPtot = -3747.4862 > Etot = -10812.1593 EKtot = 1877.5007 EPtot = -12689.6600 181c181 < BOND = 475.4365 ANGLE = 1320.7884 DIHED = 1451.5054 > BOND = 553.9302 ANGLE = 1582.9032 DIHED = 1496.4108 182c182 < 1-4 NB = 446.4098 1-4 EEL = 5418.7876 VDWAALS = -999.5625 > 1-4 NB = 445.8662 1-4 EEL = 4845.2118 VDWAALS = -902.4859 183c183 < EELEC = -8730.4134 EGB = -3130.4380 RESTRAINT = 0. > EELEC = -9799.2452 EGB = -10912.2512 RESTRAINT = 0. 185c185 < NSTEP = 18 TIME(PS) = 0.036 TEMP(K) = 296.57 PRESS = 0. > NSTEP = 18 TIME(PS) = 0.036 TEMP(K) = 321.62 PRESS = 0. 186c186 < Etot = -2026.8989 EKtot = 1688.1629 EPtot = -3715.0618 > Etot = -10929.1814 EKtot = 1830.7612 EPtot = -12759.9426 187c187 < BOND = 499.4775 ANGLE = 1322.6577 DIHED = 1452.6798 > BOND = 583.4589 ANGLE = 1586.6959 DIHED = 1505.2736 188c188 < 1-4 NB = 447.0259 1-4 EEL = 5414.3677 VDWAALS = -997.4261 > 1-4 NB = 446.0563 1-4 EEL = 4847.3009 VDWAALS = -890.6916 189c189 < EELEC = -8721.3723 EGB = -3132.4720 RESTRAINT = 0. > EELEC = -9893.1840 EGB = -10944.8526 RESTRAINT = 0. 191c191 < NSTEP = 19 TIME(PS) = 0.038 TEMP(K) = 296.80 PRESS = 0. > NSTEP = 19 TIME(PS) = 0.038 TEMP(K) = 317.21 PRESS = 0. 192c192 < Etot = -2027.4072 EKtot = 1689.4906 EPtot = -3716.8978 > Etot = -11060.9240 EKtot = 1805.6687 EPtot = -12866.5927 193c193 < BOND = 514.4338 ANGLE = 1300.1112 DIHED = 1451.1881 > BOND = 606.5308 ANGLE = 1580.2450 DIHED = 1511.9016 194c194 < 1-4 NB = 447.8470 1-4 EEL = 5409.2986 VDWAALS = -994.9488 > 1-4 NB = 446.9562 1-4 EEL = 4842.5180 VDWAALS = -877.6838 195c195 < EELEC = -8710.0853 EGB = -3134.7424 RESTRAINT = 0. > EELEC = -9981.8034 EGB = -10995.2569 RESTRAINT = 0. 197c197 < NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 301.79 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 320.18 PRESS = 0. 198c198 < Etot = -2028.8269 EKtot = 1717.8895 EPtot = -3746.7164 > Etot = -11169.3981 EKtot = 1822.5865 EPtot = -12991.9846 199c199 < BOND = 509.6265 ANGLE = 1272.8982 DIHED = 1446.3552 > BOND = 605.4596 ANGLE = 1571.2051 DIHED = 1513.8748 200c200 < 1-4 NB = 448.4122 1-4 EEL = 5405.1168 VDWAALS = -992.4888 > 1-4 NB = 448.8221 1-4 EEL = 4824.3644 VDWAALS = -862.6601 201c201 < EELEC = -8700.6913 EGB = -3135.9452 RESTRAINT = 0. > EELEC = -10067.5275 EGB = -11025.5231 RESTRAINT = 0. 203c203 < NSTEP = 21 TIME(PS) = 0.042 TEMP(K) = 307.86 PRESS = 0. > NSTEP = 21 TIME(PS) = 0.042 TEMP(K) = 327.52 PRESS = 0. 204c204 < Etot = -2030.2076 EKtot = 1752.4097 EPtot = -3782.6174 > Etot = -11269.9147 EKtot = 1864.3201 EPtot = -13134.2348 205c205 < BOND = 491.9636 ANGLE = 1256.2929 DIHED = 1439.5708 > BOND = 587.1278 ANGLE = 1573.1455 DIHED = 1510.9968 206c206 < 1-4 NB = 448.9514 1-4 EEL = 5403.3869 VDWAALS = -990.2340 > 1-4 NB = 452.4512 1-4 EEL = 4791.6491 VDWAALS = -844.1528 207c207 < EELEC = -8697.1483 EGB = -3135.4007 RESTRAINT = 0. > EELEC = -10154.4334 EGB = -11051.0189 RESTRAINT = 0. 209c209 < NSTEP = 22 TIME(PS) = 0.044 TEMP(K) = 311.42 PRESS = 0. > NSTEP = 22 TIME(PS) = 0.044 TEMP(K) = 332.01 PRESS = 0. 210c210 < Etot = -2030.8182 EKtot = 1772.6723 EPtot = -3803.4905 > Etot = -11376.2749 EKtot = 1889.9045 EPtot = -13266.1793 211c211 < BOND = 477.3975 ANGLE = 1256.2123 DIHED = 1432.6631 > BOND = 573.2796 ANGLE = 1602.7947 DIHED = 1504.8780 212c212 < 1-4 NB = 449.5342 1-4 EEL = 5404.5441 VDWAALS = -988.8932 > 1-4 NB = 458.5466 1-4 EEL = 4748.5613 VDWAALS = -820.8008 213c213 < EELEC = -8701.3126 EGB = -3133.6359 RESTRAINT = 0. > EELEC = -10247.4541 EGB = -11085.9846 RESTRAINT = 0. 215c215 < NSTEP = 23 TIME(PS) = 0.046 TEMP(K) = 311.28 PRESS = 0. > NSTEP = 23 TIME(PS) = 0.046 TEMP(K) = 330.28 PRESS = 0. 216c216 < Etot = -2029.7088 EKtot = 1771.9270 EPtot = -3801.6358 > Etot = -11484.9610 EKtot = 1880.0739 EPtot = -13365.0350 217c217 < BOND = 472.7177 ANGLE = 1273.3801 DIHED = 1426.8190 > BOND = 574.4938 ANGLE = 1661.9931 DIHED = 1497.7147 218c218 < 1-4 NB = 449.5256 1-4 EEL = 5407.3829 VDWAALS = -988.2209 > 1-4 NB = 464.6254 1-4 EEL = 4704.7555 VDWAALS = -793.3238 219c219 < EELEC = -8711.3063 EGB = -3131.9340 RESTRAINT = 0. > EELEC = -10349.6771 EGB = -11125.6166 RESTRAINT = 0. 221c221 < NSTEP = 24 TIME(PS) = 0.048 TEMP(K) = 310.20 PRESS = 0. > NSTEP = 24 TIME(PS) = 0.048 TEMP(K) = 327.39 PRESS = 0. 222c222 < Etot = -2019.3681 EKtot = 1765.7589 EPtot = -3785.1270 > Etot = -11604.5181 EKtot = 1863.6089 EPtot = -13468.1270 223c223 < BOND = 471.7453 ANGLE = 1295.5893 DIHED = 1422.4910 > BOND = 582.8116 ANGLE = 1719.0104 DIHED = 1491.1117 224c224 < 1-4 NB = 448.2839 1-4 EEL = 5355.9729 VDWAALS = -987.7289 > 1-4 NB = 462.9766 1-4 EEL = 4672.3407 VDWAALS = -764.8771 225c225 < EELEC = -8782.1389 EGB = -3009.3416 RESTRAINT = 0. > EELEC = -10460.4546 EGB = -11171.0462 RESTRAINT = 0. 227c227 < NSTEP = 25 TIME(PS) = 0.050 TEMP(K) = 311.21 PRESS = 0. > NSTEP = 25 TIME(PS) = 0.050 TEMP(K) = 328.93 PRESS = 0. 228c228 < Etot = -2020.1697 EKtot = 1771.5114 EPtot = -3791.6811 > Etot = -11734.8813 EKtot = 1872.3544 EPtot = -13607.2357 229c229 < BOND = 469.0980 ANGLE = 1305.2643 DIHED = 1419.6706 > BOND = 590.5601 ANGLE = 1736.6566 DIHED = 1485.8301 230c230 < 1-4 NB = 445.9029 1-4 EEL = 5354.1788 VDWAALS = -986.5881 > 1-4 NB = 455.2967 1-4 EEL = 4655.8344 VDWAALS = -730.4953 231c231 < EELEC = -8788.2201 EGB = -3010.9874 RESTRAINT = 0. > EELEC = -10575.5803 EGB = -11225.3379 RESTRAINT = 0. 234c234 < NSTEP = 25 TIME(PS) = 0.050 TEMP(K) = 304.81 PRESS = 0. > NSTEP = 25 TIME(PS) = 0.050 TEMP(K) = 321.43 PRESS = 0. 235c235 < Etot = -2025.6768 EKtot = 1735.0917 EPtot = -3760.7685 > Etot = -10443.5373 EKtot = 1829.7033 EPtot = -12273.2405 236c236 < BOND = 469.5663 ANGLE = 1290.0453 DIHED = 1441.1417 > BOND = 554.6614 ANGLE = 1483.1559 DIHED = 1471.1412 237c237 < 1-4 NB = 453.6070 1-4 EEL = 5432.6039 VDWAALS = -994.3061 > 1-4 NB = 454.5903 1-4 EEL = 5011.2799 VDWAALS = -921.9652 238c238 < EELEC = -8704.0149 EGB = -3149.4118 RESTRAINT = 0. > EELEC = -9470.5338 EGB = -10855.5702 RESTRAINT = 0. 241c241 < NSTEP = 25 TIME(PS) = 0.050 TEMP(K) = 4.99 PRESS = 0. > NSTEP = 25 TIME(PS) = 0.050 TEMP(K) = 8.23 PRESS = 0. 242c242 < Etot = 20.2972 EKtot = 28.3998 EPtot = 32.0717 > Etot = 724.8328 EKtot = 46.8753 EPtot = 759.2823 243c243 < BOND = 17.9231 ANGLE = 20.1057 DIHED = 14.7958 > BOND = 55.9692 ANGLE = 130.9736 DIHED = 31.4998 244c244 < 1-4 NB = 5.4242 1-4 EEL = 33.3007 VDWAALS = 5.9327 > 1-4 NB = 5.4840 1-4 EEL = 247.2034 VDWAALS = 77.6718 245c245 < EELEC = 65.5616 EGB = 73.8752 RESTRAINT = 0. > EELEC = 600.5764 EGB = 186.3921 RESTRAINT = 0. ### Maximum absolute error in matching lines = 9.71e+03 at line 228 field 3 ### Maximum relative error in matching lines = 3.47e+01 at line 242 field 3 --------------------------------------- possible FAILURE: check cpout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/cnstphe/implicit 39c39 < Residue 19 State: 0 --- > Residue 19 State: 1 48c48 < Residue 29 State: 3 --- > Residue 29 State: 0 --------------------------------------- possible FAILURE: check ceout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/cnstphe/implicit 9c9 < Residue 1 State: 1 --- > Residue 1 State: 0 --------------------------------------- possible FAILURE: check mdout.dhfr_charmm_md.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/chamber/dhfr 66c66 < Etot = -3050.6670 EKtot = 2230.2661 EPtot = -5280.9331 > Etot = -10504.5648 EKtot = 2230.2661 EPtot = -12734.8309 70c70 < EELEC = -10036.4148 EGB = -2483.6659 RESTRAINT = 0. > EELEC = -10036.4148 EGB = -9937.5636 RESTRAINT = 0. 72c72 < NSTEP = 1 TIME(PS) = 0.002 TEMP(K) = 317.05 PRESS = 0. > NSTEP = 1 TIME(PS) = 0.002 TEMP(K) = 316.59 PRESS = 0. 73c73 < Etot = -3315.2257 EKtot = 1965.7075 EPtot = -5280.9331 > Etot = -10771.9771 EKtot = 1962.8537 EPtot = -12734.8309 77c77 < EELEC = -10036.4148 EGB = -2483.6659 RESTRAINT = 0. > EELEC = -10036.4148 EGB = -9937.5636 RESTRAINT = 0. 79c79 < NSTEP = 2 TIME(PS) = 0.004 TEMP(K) = 263.86 PRESS = 0. > NSTEP = 2 TIME(PS) = 0.004 TEMP(K) = 268.12 PRESS = 0. 80c80 < Etot = -3367.5476 EKtot = 1635.9605 EPtot = -5003.5081 > Etot = -10832.3282 EKtot = 1662.3357 EPtot = -12494.6639 81c81 < BOND = 200.8036 ANGLE = 575.7536 DIHED = 762.1947 > BOND = 201.5661 ANGLE = 576.1745 DIHED = 761.3070 82c82 < UB = 52.0946 IMP = 23.5701 CMAP = 0. > UB = 52.1299 IMP = 23.2624 CMAP = 0. 83c83 < 1-4 NB = 370.1688 1-4 EEL = 6492.0761 VDWAALS = -1003.7826 > 1-4 NB = 369.9248 1-4 EEL = 6475.1424 VDWAALS = -1005.5231 84c84 < EELEC = -9976.7636 EGB = -2499.6233 RESTRAINT = 0. > EELEC = -9995.8646 EGB = -9952.7831 RESTRAINT = 0. 86c86 < NSTEP = 3 TIME(PS) = 0.006 TEMP(K) = 183.85 PRESS = 0. > NSTEP = 3 TIME(PS) = 0.006 TEMP(K) = 195.54 PRESS = 0. 87c87 < Etot = -3339.5334 EKtot = 1139.8767 EPtot = -4479.4101 > Etot = -10838.7997 EKtot = 1212.3550 EPtot = -12051.1547 88c88 < BOND = 339.0689 ANGLE = 857.9913 DIHED = 784.6554 > BOND = 343.0590 ANGLE = 873.9082 DIHED = 781.4293 89c89 < UB = 94.9355 IMP = 38.2584 CMAP = 0. > UB = 95.7734 IMP = 37.1423 CMAP = 0. 90c90 < 1-4 NB = 379.4230 1-4 EEL = 6478.9772 VDWAALS = -994.9839 > 1-4 NB = 378.7448 1-4 EEL = 6412.9749 VDWAALS = -1000.0614 91c91 < EELEC = -9942.8230 EGB = -2514.9129 RESTRAINT = 0. > EELEC = -10013.1828 EGB = -9960.9424 RESTRAINT = 0. 93c93 < NSTEP = 4 TIME(PS) = 0.008 TEMP(K) = 130.09 PRESS = 0. > NSTEP = 4 TIME(PS) = 0.008 TEMP(K) = 146.97 PRESS = 0. 94c94 < Etot = -3324.3020 EKtot = 806.5450 EPtot = -4130.8470 > Etot = -10877.4130 EKtot = 911.2018 EPtot = -11788.6148 95c95 < BOND = 418.0822 ANGLE = 1029.3978 DIHED = 809.0865 > BOND = 429.3185 ANGLE = 1093.3188 DIHED = 803.1115 96c96 < UB = 129.5506 IMP = 55.5731 CMAP = 0. > UB = 133.1571 IMP = 53.6167 CMAP = 0. 97c97 < 1-4 NB = 387.0589 1-4 EEL = 6468.7707 VDWAALS = -987.7626 > 1-4 NB = 386.2840 1-4 EEL = 6328.0220 VDWAALS = -994.0189 98c98 < EELEC = -9907.7109 EGB = -2532.8933 RESTRAINT = 0. > EELEC = -10050.0789 EGB = -9971.3455 RESTRAINT = 0. 100c100 < NSTEP = 5 TIME(PS) = 0.010 TEMP(K) = 135.15 PRESS = 0. > NSTEP = 5 TIME(PS) = 0.010 TEMP(K) = 153.41 PRESS = 0. 101c101 < Etot = -3335.2207 EKtot = 837.9170 EPtot = -4173.1377 > Etot = -10958.1758 EKtot = 951.1310 EPtot = -11909.3068 102c102 < BOND = 391.6480 ANGLE = 971.8147 DIHED = 824.9302 > BOND = 414.9715 ANGLE = 1107.2950 DIHED = 817.1584 103c103 < UB = 134.2907 IMP = 67.8040 CMAP = 0. > UB = 143.2375 IMP = 65.7258 CMAP = 0. 104c104 < 1-4 NB = 387.9357 1-4 EEL = 6462.5413 VDWAALS = -985.7140 > 1-4 NB = 387.4092 1-4 EEL = 6232.5715 VDWAALS = -989.2358 105c105 < EELEC = -9878.4151 EGB = -2549.9731 RESTRAINT = 0. > EELEC = -10103.6291 EGB = -9984.8107 RESTRAINT = 0. 107c107 < NSTEP = 6 TIME(PS) = 0.012 TEMP(K) = 172.05 PRESS = 0. > NSTEP = 6 TIME(PS) = 0.012 TEMP(K) = 190.71 PRESS = 0. 108c108 < Etot = -3354.4864 EKtot = 1066.7191 EPtot = -4421.2055 > Etot = -11372.9449 EKtot = 1182.4242 EPtot = -12555.3691 109c109 < BOND = 326.1613 ANGLE = 803.1092 DIHED = 829.0515 > BOND = 366.9110 ANGLE = 1001.0978 DIHED = 821.6093 110c110 < UB = 113.4500 IMP = 70.5041 CMAP = 0. > UB = 130.2080 IMP = 69.6642 CMAP = 0. 111c111 < 1-4 NB = 384.7515 1-4 EEL = 6460.2319 VDWAALS = -987.2634 > 1-4 NB = 384.3969 1-4 EEL = 6140.1816 VDWAALS = -986.5111 112c112 < EELEC = -9857.1358 EGB = -2564.0660 RESTRAINT = 0. > EELEC = -10170.8279 EGB = -10312.0989 RESTRAINT = 0. 114c114 < NSTEP = 7 TIME(PS) = 0.014 TEMP(K) = 192.92 PRESS = 0. > NSTEP = 7 TIME(PS) = 0.014 TEMP(K) = 213.93 PRESS = 0. 115c115 < Etot = -3359.4338 EKtot = 1196.1324 EPtot = -4555.5662 > Etot = -11176.0066 EKtot = 1326.3847 EPtot = -12502.3913 116c116 < BOND = 302.8468 ANGLE = 724.2854 DIHED = 824.8224 > BOND = 366.7985 ANGLE = 948.2348 DIHED = 820.5484 117c117 < UB = 89.3732 IMP = 64.0066 CMAP = 0. > UB = 116.1866 IMP = 65.8342 CMAP = 0. 118c118 < 1-4 NB = 383.6923 1-4 EEL = 6461.2506 VDWAALS = -988.2099 > 1-4 NB = 383.4465 1-4 EEL = 6062.3243 VDWAALS = -985.8885 119c119 < EELEC = -9843.3935 EGB = -2574.2401 RESTRAINT = 0. > EELEC = -10203.0274 EGB = -10076.8486 RESTRAINT = 0. 121c121 < NSTEP = 8 TIME(PS) = 0.016 TEMP(K) = 181.43 PRESS = 0. > NSTEP = 8 TIME(PS) = 0.016 TEMP(K) = 206.56 PRESS = 0. 122c122 < Etot = -3347.0650 EKtot = 1124.8842 EPtot = -4471.9493 > Etot = -11326.6288 EKtot = 1280.6647 EPtot = -12607.2934 123c123 < BOND = 323.9142 ANGLE = 804.3104 DIHED = 817.4095 > BOND = 415.4750 ANGLE = 1016.5548 DIHED = 819.1806 124c124 < UB = 80.7663 IMP = 52.3004 CMAP = 0. > UB = 119.5570 IMP = 57.5867 CMAP = 0. 125c125 < 1-4 NB = 387.4489 1-4 EEL = 6464.8579 VDWAALS = -986.4010 > 1-4 NB = 387.8270 1-4 EEL = 6005.4246 VDWAALS = -986.9224 126c126 < EELEC = -9836.3328 EGB = -2580.2231 RESTRAINT = 0. > EELEC = -10288.2349 EGB = -10153.7418 RESTRAINT = 0. 128c128 < NSTEP = 9 TIME(PS) = 0.018 TEMP(K) = 160.47 PRESS = 0. > NSTEP = 9 TIME(PS) = 0.018 TEMP(K) = 189.00 PRESS = 0. 129c129 < Etot = -3333.6707 EKtot = 994.9456 EPtot = -4328.6163 > Etot = -11325.8677 EKtot = 1171.7875 EPtot = -12497.6552 130c130 < BOND = 334.2814 ANGLE = 934.7012 DIHED = 810.5367 > BOND = 452.4478 ANGLE = 1119.3409 DIHED = 820.4964 131c131 < UB = 88.5248 IMP = 40.6217 CMAP = 0. > UB = 139.8844 IMP = 49.1302 CMAP = 0. 132c132 < 1-4 NB = 393.3738 1-4 EEL = 6470.0495 VDWAALS = -983.4473 > 1-4 NB = 395.4843 1-4 EEL = 5969.4635 VDWAALS = -982.4097 133c133 < EELEC = -9834.5526 EGB = -2582.7056 RESTRAINT = 0. > EELEC = -10334.5822 EGB = -10126.9108 RESTRAINT = 0. 135c135 < NSTEP = 10 TIME(PS) = 0.020 TEMP(K) = 156.61 PRESS = 0. > NSTEP = 10 TIME(PS) = 0.020 TEMP(K) = 186.08 PRESS = 0. 136c136 < Etot = -3332.7228 EKtot = 970.9998 EPtot = -4303.7227 > Etot = -11538.1194 EKtot = 1153.6872 EPtot = -12691.8066 137c137 < BOND = 310.2285 ANGLE = 974.7345 DIHED = 806.4401 > BOND = 444.9265 ANGLE = 1146.7814 DIHED = 825.6781 138c138 < UB = 100.1107 IMP = 33.1957 CMAP = 0. > UB = 161.4371 IMP = 43.8113 CMAP = 0. 139c139 < 1-4 NB = 396.9626 1-4 EEL = 6475.5319 VDWAALS = -982.2668 > 1-4 NB = 401.9786 1-4 EEL = 5947.3032 VDWAALS = -968.5680 140c140 < EELEC = -9835.0754 EGB = -2583.5843 RESTRAINT = 0. > EELEC = -10441.0094 EGB = -10254.1454 RESTRAINT = 0. 142c142 < NSTEP = 11 TIME(PS) = 0.022 TEMP(K) = 169.45 PRESS = 0. > NSTEP = 11 TIME(PS) = 0.022 TEMP(K) = 199.21 PRESS = 0. 143c143 < Etot = -3340.5724 EKtot = 1050.5899 EPtot = -4391.1624 > Etot = 2308726.9766 EKtot = 1235.1318 EPtot = 2307491.8448 144c144 < BOND = 288.3398 ANGLE = 903.8536 DIHED = 806.5291 > BOND = 422.3464 ANGLE = 1086.1513 DIHED = 835.0898 145c145 < UB = 104.4375 IMP = 31.9241 CMAP = 0. > UB = 169.3401 IMP = 43.1775 CMAP = 0. 146c146 < 1-4 NB = 396.4906 1-4 EEL = 6480.1975 VDWAALS = -983.6824 > 1-4 NB = 404.9864 1-4 EEL = 5930.0327 VDWAALS = 2319474.1062 147c147 < EELEC = -9833.9219 EGB = -2585.3303 RESTRAINT = 0. > EELEC = -10540.4043 EGB = -10332.9812 RESTRAINT = 0. 149c149 < NSTEP = 12 TIME(PS) = 0.024 TEMP(K) = 178.44 PRESS = 0. > NSTEP = 12 TIME(PS) = 0.024 TEMP(K) = 210.86 PRESS = 0. 150c150 < Etot = -3344.5365 EKtot = 1106.3332 EPtot = -4450.8696 > Etot = -11803.8018 EKtot = 1307.3612 EPtot = -13111.1630 151c151 < BOND = 305.5673 ANGLE = 821.5418 DIHED = 811.0270 > BOND = 423.0727 ANGLE = 1024.2794 DIHED = 847.8751 152c152 < UB = 101.3145 IMP = 36.1241 CMAP = 0. > UB = 161.8408 IMP = 46.7564 CMAP = 0. 153c153 < 1-4 NB = 393.9669 1-4 EEL = 6483.6495 VDWAALS = -986.1069 > 1-4 NB = 405.9281 1-4 EEL = 5911.6586 VDWAALS = -910.7550 154c154 < EELEC = -9828.2387 EGB = -2589.7150 RESTRAINT = 0. > EELEC = -10521.5886 EGB = -10500.2305 RESTRAINT = 0. 156c156 < NSTEP = 13 TIME(PS) = 0.026 TEMP(K) = 170.94 PRESS = 0. > NSTEP = 13 TIME(PS) = 0.026 TEMP(K) = 207.98 PRESS = 0. 157c157 < Etot = -3339.0418 EKtot = 1059.8638 EPtot = -4398.9056 > Etot = ************** EKtot = 1289.4616 EPtot = ************** 158c158 < BOND = 344.0888 ANGLE = 821.9218 DIHED = 818.1594 > BOND = 439.0792 ANGLE = 1048.9097 DIHED = 861.3274 159c159 < UB = 98.0918 IMP = 43.1610 CMAP = 0. > UB = 148.6107 IMP = 52.4988 CMAP = 0. 160c160 < 1-4 NB = 392.2994 1-4 EEL = 6486.1533 VDWAALS = -987.9146 > 1-4 NB = 407.6836 1-4 EEL = 5890.0014 VDWAALS = ************** 161c161 < EELEC = -9818.0233 EGB = -2596.8432 RESTRAINT = 0. > EELEC = -10647.4958 EGB = -10544.7038 RESTRAINT = 0. 163c163 < NSTEP = 14 TIME(PS) = 0.028 TEMP(K) = 155.17 PRESS = 0. > NSTEP = 14 TIME(PS) = 0.028 TEMP(K) = 195.16 PRESS = 0. 164c164 < Etot = -3330.2358 EKtot = 962.0513 EPtot = -4292.2871 > Etot = -12172.0777 EKtot = 1210.0231 EPtot = -13382.1008 165c165 < BOND = 357.2679 ANGLE = 896.5236 DIHED = 824.2255 > BOND = 433.9812 ANGLE = 1158.4922 DIHED = 871.6786 166c166 < UB = 99.7432 IMP = 49.7929 CMAP = 0. > UB = 139.4742 IMP = 57.8428 CMAP = 0. 167c167 < 1-4 NB = 392.5247 1-4 EEL = 6487.9262 VDWAALS = -989.3826 > 1-4 NB = 411.6953 1-4 EEL = 5865.6010 VDWAALS = -947.3720 168c168 < EELEC = -9805.5252 EGB = -2605.3833 RESTRAINT = 0. > EELEC = -10793.3274 EGB = -10580.1666 RESTRAINT = 0. 170c170 < NSTEP = 15 TIME(PS) = 0.030 TEMP(K) = 147.19 PRESS = 0. > NSTEP = 15 TIME(PS) = 0.030 TEMP(K) = 186.41 PRESS = 0. 171c171 < Etot = -3326.2417 EKtot = 912.5653 EPtot = -4238.8070 > Etot = -12264.3562 EKtot = 1155.7568 EPtot = -13420.1130 172c172 < BOND = 333.7458 ANGLE = 961.0763 DIHED = 825.6074 > BOND = 399.9931 ANGLE = 1270.0724 DIHED = 876.0880 173c173 < UB = 103.6069 IMP = 53.6722 CMAP = 0. > UB = 135.9931 IMP = 60.9643 CMAP = 0. 174c174 < 1-4 NB = 393.6322 1-4 EEL = 6488.5126 VDWAALS = -992.0636 > 1-4 NB = 417.2218 1-4 EEL = 5840.2727 VDWAALS = -983.5653 175c175 < EELEC = -9792.8566 EGB = -2613.7403 RESTRAINT = 0. > EELEC = -10785.2914 EGB = -10651.8615 RESTRAINT = 0. 177c177 < NSTEP = 16 TIME(PS) = 0.032 TEMP(K) = 152.75 PRESS = 0. > NSTEP = 16 TIME(PS) = 0.032 TEMP(K) = 189.52 PRESS = 0. 178c178 < Etot = -3327.8707 EKtot = 947.0610 EPtot = -4274.9317 > Etot = -12474.4092 EKtot = 1175.0521 EPtot = -13649.4613 179c179 < BOND = 308.2196 ANGLE = 954.5565 DIHED = 821.6294 > BOND = 369.1186 ANGLE = 1307.0014 DIHED = 874.7922 180c180 < UB = 103.3967 IMP = 54.2012 CMAP = 0. > UB = 133.2890 IMP = 61.5210 CMAP = 0. 181c181 < 1-4 NB = 394.2300 1-4 EEL = 6487.0832 VDWAALS = -996.6538 > 1-4 NB = 422.4263 1-4 EEL = 5815.7000 VDWAALS = -999.0791 182c182 < EELEC = -9780.5670 EGB = -2621.0276 RESTRAINT = 0. > EELEC = -10868.8535 EGB = -10765.3772 RESTRAINT = 0. 184c184 < NSTEP = 17 TIME(PS) = 0.034 TEMP(K) = 164.50 PRESS = 0. > NSTEP = 17 TIME(PS) = 0.034 TEMP(K) = 200.71 PRESS = 0. 185c185 < Etot = -3330.3514 EKtot = 1019.9251 EPtot = -4350.2765 > Etot = -12543.2630 EKtot = 1244.4363 EPtot = -13787.6993 186c186 < BOND = 309.9306 ANGLE = 895.3293 DIHED = 815.4263 > BOND = 367.5282 ANGLE = 1269.0508 DIHED = 871.5271 187c187 < UB = 97.0076 IMP = 52.3835 CMAP = 0. > UB = 128.1916 IMP = 60.5574 CMAP = 0. 188c188 < 1-4 NB = 393.7962 1-4 EEL = 6483.3368 VDWAALS = -1002.0895 > 1-4 NB = 425.7903 1-4 EEL = 5792.3115 VDWAALS = -1000.9573 189c189 < EELEC = -9768.3833 EGB = -2627.0142 RESTRAINT = 0. > EELEC = -10976.3242 EGB = -10725.3748 RESTRAINT = 0. 191c191 < NSTEP = 18 TIME(PS) = 0.036 TEMP(K) = 172.37 PRESS = 0. > NSTEP = 18 TIME(PS) = 0.036 TEMP(K) = 210.92 PRESS = 0. 192c192 < Etot = -3330.2611 EKtot = 1068.7226 EPtot = -4398.9837 > Etot = -12749.3882 EKtot = 1307.7242 EPtot = -14057.1124 193c193 < BOND = 326.3621 ANGLE = 847.8992 DIHED = 811.6442 > BOND = 383.8571 ANGLE = 1218.3237 DIHED = 871.1872 194c194 < UB = 89.3376 IMP = 49.9610 CMAP = 0. > UB = 124.0914 IMP = 59.7617 CMAP = 0. 195c195 < 1-4 NB = 392.6732 1-4 EEL = 6477.9647 VDWAALS = -1006.7563 > 1-4 NB = 426.8755 1-4 EEL = 5768.8623 VDWAALS = -1001.9349 196c196 < EELEC = -9756.3986 EGB = -2631.6707 RESTRAINT = 0. > EELEC = -11083.7454 EGB = -10824.3909 RESTRAINT = 0. 198c198 < NSTEP = 19 TIME(PS) = 0.038 TEMP(K) = 172.12 PRESS = 0. > NSTEP = 19 TIME(PS) = 0.038 TEMP(K) = 213.68 PRESS = 0. 199c199 < Etot = -3327.7124 EKtot = 1067.1787 EPtot = -4394.8911 > Etot = -12830.6350 EKtot = 1324.8003 EPtot = -14155.4352 200c200 < BOND = 329.8198 ANGLE = 852.8265 DIHED = 812.8974 > BOND = 394.7625 ANGLE = 1210.6152 DIHED = 876.2741 201c201 < UB = 87.3420 IMP = 48.3697 CMAP = 0. > UB = 127.5643 IMP = 60.4756 CMAP = 0. 202c202 < 1-4 NB = 391.7468 1-4 EEL = 6472.1735 VDWAALS = -1010.0154 > 1-4 NB = 426.4856 1-4 EEL = 5742.5928 VDWAALS = -994.3835 203c203 < EELEC = -9744.8470 EGB = -2635.2044 RESTRAINT = 0. > EELEC = -11188.0091 EGB = -10811.8127 RESTRAINT = 0. 205c205 < NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 165.88 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 208.38 PRESS = 0. 206c206 < Etot = -3323.8563 EKtot = 1028.4365 EPtot = -4352.2928 > Etot = ************** EKtot = 1291.9388 EPtot = ************** 207c207 < BOND = 321.0046 ANGLE = 893.5457 DIHED = 817.8590 > BOND = 403.6915 ANGLE = 1247.7816 DIHED = 884.8964 208c208 < UB = 92.8133 IMP = 48.0242 CMAP = 0. > UB = 140.9074 IMP = 62.9174 CMAP = 0. 209c209 < 1-4 NB = 391.8014 1-4 EEL = 6466.8616 VDWAALS = -1012.7366 > 1-4 NB = 426.1205 1-4 EEL = 5709.7156 VDWAALS = -975.5758 210c210 < EELEC = -9733.1212 EGB = -2638.3449 RESTRAINT = 0. > EELEC = -11301.5276 EGB = ************** RESTRAINT = 0. 213c213 < NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 177.12 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 204.49 PRESS = 0. 214c214 < Etot = -3336.4944 EKtot = 1098.1208 EPtot = -4434.6152 > Etot = 104279.6763 EKtot = 1267.8256 EPtot = 103011.8507 215c215 < BOND = 315.0416 ANGLE = 848.2542 DIHED = 809.4090 > BOND = 380.1177 ANGLE = 1058.1648 DIHED = 834.7651 216c216 < UB = 94.6032 IMP = 46.6017 CMAP = 0. > UB = 126.6375 IMP = 52.5416 CMAP = 0. 217c217 < 1-4 NB = 388.5535 1-4 EEL = 6477.7742 VDWAALS = -993.8194 > 1-4 NB = 400.8901 1-4 EEL = 6017.3747 VDWAALS = 429611771.8242 218c218 < EELEC = -9840.5250 EGB = -2580.5081 RESTRAINT = 0. > EELEC = -10517.1710 EGB = ************** RESTRAINT = 0. 221c221 < NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 41.54 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 34.89 PRESS = 0. 222c222 < Etot = 12.6094 EKtot = 257.5757 EPtot = 259.9403 > Etot = ************** EKtot = 216.3293 EPtot = ************** 223c223 < BOND = 58.9645 ANGLE = 135.4858 DIHED = 19.6072 > BOND = 78.1737 ANGLE = 215.5279 DIHED = 38.3643 224c224 < UB = 21.9175 IMP = 13.3079 CMAP = 0. > UB = 32.7228 IMP = 13.4041 CMAP = 0. 225c225 < 1-4 NB = 7.9471 1-4 EEL = 11.8373 VDWAALS = 9.7277 > 1-4 NB = 19.0873 1-4 EEL = 243.5209 VDWAALS = ************** 226c226 < EELEC = 75.6571 EGB = 43.9341 RESTRAINT = 0. > EELEC = 408.8225 EGB = ************** RESTRAINT = 0. ### Maximum absolute error in matching lines = 2.31e+06 at line 143 field 3 ### Maximum relative error in matching lines = 6.92e+02 at line 143 field 3 --------------------------------------- possible FAILURE: check mdout.dhfr_charmm_md.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/chamber/dhfr_cmap 66c66 < Etot = -3135.7721 EKtot = 2230.2661 EPtot = -5366.0381 > Etot = -10589.6698 EKtot = 2230.2661 EPtot = -12819.9359 70c70 < EELEC = -10036.4148 EGB = -2483.6659 RESTRAINT = 0. > EELEC = -10036.4148 EGB = -9937.5636 RESTRAINT = 0. 72c72 < NSTEP = 1 TIME(PS) = 0.002 TEMP(K) = 317.05 PRESS = 0. > NSTEP = 1 TIME(PS) = 0.002 TEMP(K) = 316.59 PRESS = 0. 73c73 < Etot = -3400.3455 EKtot = 1965.6926 EPtot = -5366.0381 > Etot = -10857.0954 EKtot = 1962.8405 EPtot = -12819.9359 77c77 < EELEC = -10036.4148 EGB = -2483.6659 RESTRAINT = 0. > EELEC = -10036.4148 EGB = -9937.5636 RESTRAINT = 0. 79c79 < NSTEP = 2 TIME(PS) = 0.004 TEMP(K) = 264.27 PRESS = 0. > NSTEP = 2 TIME(PS) = 0.004 TEMP(K) = 268.54 PRESS = 0. 80c80 < Etot = -3452.7664 EKtot = 1638.4866 EPtot = -5091.2531 > Etot = -10917.5540 EKtot = 1664.9422 EPtot = -12582.4962 81c81 < BOND = 200.8616 ANGLE = 575.6171 DIHED = 762.2337 > BOND = 201.6264 ANGLE = 576.0407 DIHED = 761.3467 82c82 < UB = 52.1000 IMP = 23.6305 CMAP = -87.8451 > UB = 52.1353 IMP = 23.3245 CMAP = -87.8900 83c83 < 1-4 NB = 370.1888 1-4 EEL = 6492.0451 VDWAALS = -1003.7574 > 1-4 NB = 369.9447 1-4 EEL = 6475.1113 VDWAALS = -1005.5082 84c84 < EELEC = -9976.6867 EGB = -2499.6407 RESTRAINT = 0. > EELEC = -9995.8264 EGB = -9952.8012 RESTRAINT = 0. 86c86 < NSTEP = 3 TIME(PS) = 0.006 TEMP(K) = 184.74 PRESS = 0. > NSTEP = 3 TIME(PS) = 0.006 TEMP(K) = 196.46 PRESS = 0. 87c87 < Etot = -3424.8454 EKtot = 1145.3811 EPtot = -4570.2265 > Etot = -10924.1305 EKtot = 1218.0878 EPtot = -12142.2184 88c88 < BOND = 339.3558 ANGLE = 857.6220 DIHED = 784.8879 > BOND = 343.3746 ANGLE = 873.5750 DIHED = 781.6718 89c89 < UB = 94.9674 IMP = 38.7811 CMAP = -91.8170 > UB = 95.8056 IMP = 37.6902 CMAP = -91.9773 90c90 < 1-4 NB = 379.5178 1-4 EEL = 6478.8709 VDWAALS = -994.8831 > 1-4 NB = 378.8384 1-4 EEL = 6412.8683 VDWAALS = -1000.0056 91c91 < EELEC = -9942.5543 EGB = -2514.9751 RESTRAINT = 0. > EELEC = -10013.0515 EGB = -9961.0078 RESTRAINT = 0. 93c93 < NSTEP = 4 TIME(PS) = 0.008 TEMP(K) = 131.33 PRESS = 0. > NSTEP = 4 TIME(PS) = 0.008 TEMP(K) = 148.26 PRESS = 0. 94c94 < Etot = -3409.6507 EKtot = 814.2808 EPtot = -4223.9315 > Etot = -10962.7911 EKtot = 919.2029 EPtot = -11881.9941 95c95 < BOND = 418.8648 ANGLE = 1028.9235 DIHED = 809.7468 > BOND = 430.2039 ANGLE = 1092.9873 DIHED = 803.8147 96c96 < UB = 129.6380 IMP = 57.3153 CMAP = -96.5477 > UB = 133.2457 IMP = 55.4699 CMAP = -96.8612 97c97 < 1-4 NB = 387.3005 1-4 EEL = 6468.5925 VDWAALS = -987.5324 > 1-4 NB = 386.5201 1-4 EEL = 6327.8422 VDWAALS = -993.9025 98c98 < EELEC = -9907.2147 EGB = -2533.0180 RESTRAINT = 0. > EELEC = -10049.8379 EGB = -9971.4763 RESTRAINT = 0. 100c100 < NSTEP = 5 TIME(PS) = 0.010 TEMP(K) = 136.56 PRESS = 0. > NSTEP = 5 TIME(PS) = 0.010 TEMP(K) = 154.83 PRESS = 0. 101c101 < Etot = -3420.5462 EKtot = 846.6814 EPtot = -4267.2276 > Etot = -11043.5364 EKtot = 959.9392 EPtot = -12003.4756 102c102 < BOND = 393.1145 ANGLE = 971.3201 DIHED = 826.2677 > BOND = 416.6430 ANGLE = 1107.1300 DIHED = 818.6098 103c103 < UB = 134.4456 IMP = 71.5940 CMAP = -101.5021 > UB = 143.3963 IMP = 69.8207 CMAP = -101.9628 104c104 < 1-4 NB = 388.4022 1-4 EEL = 6462.3654 VDWAALS = -985.3140 > 1-4 NB = 387.8633 1-4 EEL = 6232.3909 VDWAALS = -989.0461 105c105 < EELEC = -9877.7543 EGB = -2550.1666 RESTRAINT = 0. > EELEC = -10103.3080 EGB = -9985.0129 RESTRAINT = 0. 107c107 < NSTEP = 6 TIME(PS) = 0.012 TEMP(K) = 173.51 PRESS = 0. > NSTEP = 6 TIME(PS) = 0.012 TEMP(K) = 192.09 PRESS = 0. 108c108 < Etot = -3439.7874 EKtot = 1075.7501 EPtot = -4515.5374 > Etot = -11458.2798 EKtot = 1190.9575 EPtot = -12649.2373 109c109 < BOND = 328.2149 ANGLE = 802.4077 DIHED = 831.2635 > BOND = 369.2559 ANGLE = 1000.9469 DIHED = 824.0509 110c110 < UB = 113.6426 IMP = 76.8680 CMAP = -106.2044 > UB = 130.4089 IMP = 76.6662 CMAP = -106.7594 111c111 < 1-4 NB = 385.5252 1-4 EEL = 6460.2111 VDWAALS = -986.6742 > 1-4 NB = 385.1520 1-4 EEL = 6140.1508 VDWAALS = -986.2417 112c112 < EELEC = -9856.4678 EGB = -2564.3241 RESTRAINT = 0. > EELEC = -10170.5017 EGB = -10312.3662 RESTRAINT = 0. 114c114 < NSTEP = 7 TIME(PS) = 0.014 TEMP(K) = 194.42 PRESS = 0. > NSTEP = 7 TIME(PS) = 0.014 TEMP(K) = 215.21 PRESS = 0. 115c115 < Etot = -3444.7293 EKtot = 1205.4007 EPtot = -4650.1300 > Etot = -11261.3289 EKtot = 1334.3094 EPtot = -12595.6383 116c116 < BOND = 305.1653 ANGLE = 722.8863 DIHED = 827.9983 > BOND = 369.4694 ANGLE = 947.5678 DIHED = 824.1045 117c117 < UB = 89.5347 IMP = 72.8889 CMAP = -110.1517 > UB = 116.3603 IMP = 75.8132 CMAP = -110.7007 118c118 < 1-4 NB = 384.8591 1-4 EEL = 6461.6023 VDWAALS = -987.4222 > 1-4 NB = 384.5932 1-4 EEL = 6062.6588 VDWAALS = -985.5364 119c119 < EELEC = -9842.9413 EGB = -2574.5496 RESTRAINT = 0. > EELEC = -10202.8044 EGB = -10077.1640 RESTRAINT = 0. 121c121 < NSTEP = 8 TIME(PS) = 0.016 TEMP(K) = 183.03 PRESS = 0. > NSTEP = 8 TIME(PS) = 0.016 TEMP(K) = 207.77 PRESS = 0. 122c122 < Etot = -3432.3833 EKtot = 1134.8046 EPtot = -4567.1879 > Etot = -11411.9571 EKtot = 1288.1968 EPtot = -12700.1539 123c123 < BOND = 326.2639 ANGLE = 801.6051 DIHED = 821.4955 > BOND = 418.2425 ANGLE = 1014.6561 DIHED = 823.7921 124c124 < UB = 80.8290 IMP = 62.9793 CMAP = -112.9433 > UB = 119.6341 IMP = 69.8476 CMAP = -113.3432 125c125 < 1-4 NB = 389.0807 1-4 EEL = 6465.8286 VDWAALS = -985.4267 > 1-4 NB = 389.4512 1-4 EEL = 6006.3728 VDWAALS = -986.4894 126c126 < EELEC = -9836.3345 EGB = -2580.5655 RESTRAINT = 0. > EELEC = -10288.2357 EGB = -10154.0821 RESTRAINT = 0. 128c128 < NSTEP = 9 TIME(PS) = 0.018 TEMP(K) = 162.24 PRESS = 0. > NSTEP = 9 TIME(PS) = 0.018 TEMP(K) = 190.22 PRESS = 0. 129c129 < Etot = -3419.0270 EKtot = 1005.8955 EPtot = -4424.9225 > Etot = -11411.2105 EKtot = 1179.3443 EPtot = -12590.5548 130c130 < BOND = 336.7286 ANGLE = 930.3633 DIHED = 815.3555 > BOND = 455.3875 ANGLE = 1115.7355 DIHED = 825.9080 131c131 < UB = 88.4711 IMP = 51.8850 CMAP = -114.4823 > UB = 139.8445 IMP = 62.3170 CMAP = -114.5723 132c132 < 1-4 NB = 395.4989 1-4 EEL = 6471.8704 VDWAALS = -982.3546 > 1-4 NB = 397.6362 1-4 EEL = 5971.2648 VDWAALS = -981.9112 133c133 < EELEC = -9835.2009 EGB = -2583.0575 RESTRAINT = 0. > EELEC = -10334.9137 EGB = -10127.2511 RESTRAINT = 0. 135c135 < NSTEP = 10 TIME(PS) = 0.020 TEMP(K) = 158.56 PRESS = 0. > NSTEP = 10 TIME(PS) = 0.020 TEMP(K) = 187.37 PRESS = 0. 136c136 < Etot = -3418.1049 EKtot = 983.0503 EPtot = -4401.1552 > Etot = -11623.4715 EKtot = 1161.6955 EPtot = -12785.1670 137c137 < BOND = 312.9429 ANGLE = 969.0806 DIHED = 811.7753 > BOND = 448.1718 ANGLE = 1141.6177 DIHED = 831.5181 138c138 < UB = 99.9843 IMP = 43.7042 CMAP = -115.0019 > UB = 161.3209 IMP = 56.2894 CMAP = -114.6145 139c139 < 1-4 NB = 399.5421 1-4 EEL = 6478.3813 VDWAALS = -981.1747 > 1-4 NB = 404.6309 1-4 EEL = 5950.1497 VDWAALS = -968.0414 140c140 < EELEC = -9836.4653 EGB = -2583.9241 RESTRAINT = 0. > EELEC = -10441.7445 EGB = -10254.4650 RESTRAINT = 0. 142c142 < NSTEP = 11 TIME(PS) = 0.022 TEMP(K) = 171.57 PRESS = 0. > NSTEP = 11 TIME(PS) = 0.022 TEMP(K) = 200.66 PRESS = 0. 143c143 < Etot = -3425.9530 EKtot = 1063.7211 EPtot = -4489.6741 > Etot = 2308641.6186 EKtot = 1244.0840 EPtot = 2307397.5346 144c144 < BOND = 291.1874 ANGLE = 897.7671 DIHED = 812.2201 > BOND = 425.6787 ANGLE = 1080.1696 DIHED = 841.0071 145c145 < UB = 104.3111 IMP = 40.5730 CMAP = -114.9446 > UB = 169.2182 IMP = 53.5173 CMAP = -113.8925 146c146 < 1-4 NB = 399.4149 1-4 EEL = 6484.1869 VDWAALS = -982.7132 > 1-4 NB = 408.0225 1-4 EEL = 5934.0479 VDWAALS = 2319474.6027 147c147 < EELEC = -9836.0356 EGB = -2585.6412 RESTRAINT = 0. > EELEC = -10541.5750 EGB = -10333.2620 RESTRAINT = 0. 149c149 < NSTEP = 12 TIME(PS) = 0.024 TEMP(K) = 180.78 PRESS = 0. > NSTEP = 12 TIME(PS) = 0.024 TEMP(K) = 212.55 PRESS = 0. 150c150 < Etot = -3429.9324 EKtot = 1120.8248 EPtot = -4550.7572 > Etot = -11889.1984 EKtot = 1317.8149 EPtot = -13207.0132 151c151 < BOND = 308.0164 ANGLE = 815.9960 DIHED = 817.0097 > BOND = 425.8828 ANGLE = 1018.4254 DIHED = 853.6633 152c152 < UB = 101.2496 IMP = 42.2913 CMAP = -114.8567 > UB = 161.7742 IMP = 54.1269 CMAP = -112.9533 153c153 < 1-4 NB = 397.0773 1-4 EEL = 6488.8405 VDWAALS = -985.3992 > 1-4 NB = 409.1781 1-4 EEL = 5916.9029 VDWAALS = -910.3559 154c154 < EELEC = -9830.9867 EGB = -2589.9954 RESTRAINT = 0. > EELEC = -10523.1931 EGB = -10500.4645 RESTRAINT = 0. 156c156 < NSTEP = 13 TIME(PS) = 0.026 TEMP(K) = 173.56 PRESS = 0. > NSTEP = 13 TIME(PS) = 0.026 TEMP(K) = 209.94 PRESS = 0. 157c157 < Etot = -3424.5095 EKtot = 1076.0734 EPtot = -4500.5828 > Etot = ************** EKtot = 1301.6156 EPtot = ************** 158c158 < BOND = 345.6134 ANGLE = 817.6520 DIHED = 824.4588 > BOND = 440.8082 ANGLE = 1044.0352 DIHED = 866.9889 159c159 < UB = 98.1188 IMP = 46.8410 CMAP = -115.2420 > UB = 148.6315 IMP = 56.8743 CMAP = -112.3707 160c160 < 1-4 NB = 395.4574 1-4 EEL = 6492.5954 VDWAALS = -987.6515 > 1-4 NB = 410.9846 1-4 EEL = 5896.5010 VDWAALS = ************** 161c161 < EELEC = -9821.3224 EGB = -2597.1037 RESTRAINT = 0. > EELEC = -10649.5145 EGB = -10544.8937 RESTRAINT = 0. 163c163 < NSTEP = 14 TIME(PS) = 0.028 TEMP(K) = 158.02 PRESS = 0. > NSTEP = 14 TIME(PS) = 0.028 TEMP(K) = 197.30 PRESS = 0. 164c164 < Etot = -3415.7853 EKtot = 979.7212 EPtot = -4395.5065 > Etot = -12257.6143 EKtot = 1223.2586 EPtot = -13480.8729 165c165 < BOND = 357.7631 ANGLE = 894.0687 DIHED = 830.9329 > BOND = 434.5095 ANGLE = 1155.2864 DIHED = 877.4024 166c166 < UB = 99.8567 IMP = 51.5781 CMAP = -116.3535 > UB = 139.5786 IMP = 59.9585 CMAP = -112.5298 167c167 < 1-4 NB = 395.6849 1-4 EEL = 6495.6853 VDWAALS = -989.7269 > 1-4 NB = 414.9446 1-4 EEL = 5873.3740 VDWAALS = -947.3374 168c168 < EELEC = -9809.3650 EGB = -2605.6308 RESTRAINT = 0. > EELEC = -10795.7430 EGB = -10580.3169 RESTRAINT = 0. 170c170 < NSTEP = 15 TIME(PS) = 0.030 TEMP(K) = 150.11 PRESS = 0. > NSTEP = 15 TIME(PS) = 0.030 TEMP(K) = 188.53 PRESS = 0. 171c171 < Etot = -3411.8214 EKtot = 930.6943 EPtot = -4342.5156 > Etot = -12349.8959 EKtot = 1168.8886 EPtot = -13518.7844 172c172 < BOND = 333.4473 ANGLE = 960.8199 DIHED = 832.8515 > BOND = 399.5013 ANGLE = 1268.9806 DIHED = 882.1566 173c173 < UB = 103.7694 IMP = 54.5290 CMAP = -118.1132 > UB = 136.1422 IMP = 61.9914 CMAP = -113.4763 174c174 < 1-4 NB = 396.8436 1-4 EEL = 6497.6733 VDWAALS = -993.0568 > 1-4 NB = 420.3903 1-4 EEL = 5849.3399 VDWAALS = -983.7403 175c175 < EELEC = -9797.3204 EGB = -2613.9593 RESTRAINT = 0. > EELEC = -10788.1094 EGB = -10651.9608 RESTRAINT = 0. 177c177 < NSTEP = 16 TIME(PS) = 0.032 TEMP(K) = 155.58 PRESS = 0. > NSTEP = 16 TIME(PS) = 0.032 TEMP(K) = 191.47 PRESS = 0. 178c178 < Etot = -3413.4378 EKtot = 964.6097 EPtot = -4378.0475 > Etot = -12559.9223 EKtot = 1187.1503 EPtot = -13747.0726 179c179 < BOND = 307.3286 ANGLE = 956.5376 DIHED = 829.5362 > BOND = 367.6893 ANGLE = 1308.0539 DIHED = 881.4706 180c180 < UB = 103.5554 IMP = 55.0978 CMAP = -120.2373 > UB = 133.4255 IMP = 62.5902 CMAP = -114.9810 181c181 < 1-4 NB = 397.5671 1-4 EEL = 6497.7286 VDWAALS = -998.1925 > 1-4 NB = 425.5413 1-4 EEL = 5826.0812 VDWAALS = -999.4370 182c182 < EELEC = -9785.8021 EGB = -2621.1668 RESTRAINT = 0. > EELEC = -10872.1115 EGB = -10765.3951 RESTRAINT = 0. 184c184 < NSTEP = 17 TIME(PS) = 0.034 TEMP(K) = 167.17 PRESS = 0. > NSTEP = 17 TIME(PS) = 0.034 TEMP(K) = 202.47 PRESS = 0. 185c185 < Etot = -3415.9228 EKtot = 1036.4805 EPtot = -4452.4033 > Etot = -12628.7612 EKtot = 1255.3265 EPtot = -13884.0877 186c186 < BOND = 308.5377 ANGLE = 899.0712 DIHED = 824.0689 > BOND = 365.1055 ANGLE = 1271.7826 DIHED = 878.9735 187c187 < UB = 97.1334 IMP = 53.9401 CMAP = -122.4544 > UB = 128.2795 IMP = 62.3616 CMAP = -116.7109 188c188 < 1-4 NB = 397.3154 1-4 EEL = 6495.5298 VDWAALS = -1003.9975 > 1-4 NB = 428.9175 1-4 EEL = 5804.0190 VDWAALS = -1001.4626 189c189 < EELEC = -9774.5487 EGB = -2626.9989 RESTRAINT = 0. > EELEC = -10980.0860 EGB = -10725.2675 RESTRAINT = 0. 191c191 < NSTEP = 18 TIME(PS) = 0.036 TEMP(K) = 174.91 PRESS = 0. > NSTEP = 18 TIME(PS) = 0.036 TEMP(K) = 212.56 PRESS = 0. 192c192 < Etot = -3415.8565 EKtot = 1084.4378 EPtot = -4500.2943 > Etot = -12834.8777 EKtot = 1317.9106 EPtot = -14152.7883 193c193 < BOND = 324.7548 ANGLE = 852.4874 DIHED = 821.0065 > BOND = 380.6326 ANGLE = 1221.8455 DIHED = 879.3970 194c194 < UB = 89.4656 IMP = 52.3010 CMAP = -124.5860 > UB = 124.1575 IMP = 62.3953 CMAP = -118.4452 195c195 < 1-4 NB = 396.4419 1-4 EEL = 6491.7362 VDWAALS = -1008.8642 > 1-4 NB = 430.0874 1-4 EEL = 5781.8920 VDWAALS = -1002.5600 196c196 < EELEC = -9763.6159 EGB = -2631.4216 RESTRAINT = 0. > EELEC = -11088.0790 EGB = -10824.1114 RESTRAINT = 0. 198c198 < NSTEP = 19 TIME(PS) = 0.038 TEMP(K) = 174.61 PRESS = 0. > NSTEP = 19 TIME(PS) = 0.038 TEMP(K) = 215.37 PRESS = 0. 199c199 < Etot = -3413.2966 EKtot = 1082.5697 EPtot = -4495.8663 > Etot = -12916.1227 EKtot = 1335.2742 EPtot = -14251.3970 200c200 < BOND = 328.6156 ANGLE = 857.1140 DIHED = 822.8771 > BOND = 391.3909 ANGLE = 1213.7709 DIHED = 885.0875 201c201 < UB = 87.5762 IMP = 51.2149 CMAP = -126.5796 > UB = 127.7047 IMP = 63.5286 CMAP = -120.2308 202c202 < 1-4 NB = 395.8587 1-4 EEL = 6487.5143 VDWAALS = -1012.2139 > 1-4 NB = 429.8386 1-4 EEL = 5756.9147 VDWAALS = -995.1131 203c203 < EELEC = -9753.1828 EGB = -2634.6608 RESTRAINT = 0. > EELEC = -11192.9718 EGB = -10811.3171 RESTRAINT = 0. 205c205 < NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 168.48 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 210.32 PRESS = 0. 206c206 < Etot = -3409.4471 EKtot = 1044.5520 EPtot = -4453.9992 > Etot = ************** EKtot = 1303.9961 EPtot = ************** 207c207 < BOND = 320.7675 ANGLE = 896.3788 DIHED = 828.3201 > BOND = 400.9458 ANGLE = 1249.4092 DIHED = 894.0905 208c208 < UB = 93.2679 IMP = 50.9265 CMAP = -128.6217 > UB = 141.2368 IMP = 65.7789 CMAP = -122.2255 209c209 < 1-4 NB = 396.3344 1-4 EEL = 6483.7143 VDWAALS = -1014.9973 > 1-4 NB = 429.6793 1-4 EEL = 5725.2630 VDWAALS = -976.4012 210c210 < EELEC = -9742.6015 EGB = -2637.4882 RESTRAINT = 0. > EELEC = -11307.1666 EGB = ************** RESTRAINT = 0. 213c213 < NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 179.02 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 205.92 PRESS = 0. 214c214 < Etot = -3421.9074 EKtot = 1109.9554 EPtot = -4531.8628 > Etot = 104194.2815 EKtot = 1276.7418 EPtot = 102917.5397 215c215 < BOND = 315.8497 ANGLE = 847.3815 DIHED = 814.4177 > BOND = 380.6985 ANGLE = 1057.0964 DIHED = 839.4551 216c216 < UB = 94.6897 IMP = 50.8762 CMAP = -111.1795 > UB = 126.7089 IMP = 57.4474 CMAP = -109.0801 217c217 < 1-4 NB = 390.7502 1-4 EEL = 6483.1155 VDWAALS = -994.0254 > 1-4 NB = 402.9653 1-4 EEL = 6022.5241 VDWAALS = 429611771.8446 218c218 < EELEC = -9843.1408 EGB = -2580.5977 RESTRAINT = 0. > EELEC = -10518.7594 EGB = ************** RESTRAINT = 0. 221c221 < NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 41.00 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.040 TEMP(K) = 34.57 PRESS = 0. 222c222 < Etot = 12.5524 EKtot = 254.1806 EPtot = 256.4178 > Etot = ************** EKtot = 214.3373 EPtot = ************** 223c223 < BOND = 59.1337 ANGLE = 135.3122 DIHED = 21.5442 > BOND = 78.7369 ANGLE = 215.8487 DIHED = 40.9996 224c224 < UB = 21.9395 IMP = 14.1428 CMAP = 12.2695 > UB = 32.7183 IMP = 14.7354 CMAP = 10.3956 225c225 < 1-4 NB = 9.1342 1-4 EEL = 13.6317 VDWAALS = 10.6897 > 1-4 NB = 20.3184 1-4 EEL = 239.0961 VDWAALS = ************** 226c226 < EELEC = 73.1914 EGB = 43.8359 RESTRAINT = 0. > EELEC = 410.6814 EGB = ************** RESTRAINT = 0. ### Maximum absolute error in matching lines = 2.31e+06 at line 143 field 3 ### Maximum relative error in matching lines = 6.75e+02 at line 143 field 3 --------------------------------------- possible FAILURE: check nucleosome_md1_ntt1.out.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nucleosome 79c79 < NSTEP = 1 TIME(PS) = 100.002 TEMP(K) = 310.74 PRESS = 0. > NSTEP = 1 TIME(PS) = 100.002 TEMP(K) = 311.75 PRESS = 0. 80c80 < Etot = -66428.2464 EKtot = 19699.0610 EPtot = -86127.3074 > Etot = -171850.7355 EKtot = 19763.3017 EPtot = -191614.0372 83c83 < EELEC = -2829.0924 EGB = -112973.0827 RESTRAINT = 0. > EELEC = -2829.0924 EGB = -218459.8125 RESTRAINT = 0. 85c85 < NSTEP = 2 TIME(PS) = 100.004 TEMP(K) = 311.17 PRESS = 0. > NSTEP = 2 TIME(PS) = 100.004 TEMP(K) = 317.30 PRESS = 0. 86c86 < Etot = -66432.5852 EKtot = 19726.6794 EPtot = -86159.2646 > Etot = -172152.9624 EKtot = 20114.7948 EPtot = -192267.7572 87c87 < BOND = 5699.7134 ANGLE = 13595.4233 DIHED = 17168.9198 > BOND = 5715.0986 ANGLE = 13649.0820 DIHED = 17164.3307 88c88 < 1-4 NB = 5638.0127 1-4 EEL = 1381.6420 VDWAALS = -13862.8351 > 1-4 NB = 5651.1940 1-4 EEL = 977.9656 VDWAALS = -13856.5722 89c89 < EELEC = -2794.1698 EGB = -112986.8305 RESTRAINT = 0.8596 > EELEC = -3164.4768 EGB = -218405.2410 RESTRAINT = 0.8619 90c90 < EAMBER (non-restraint) = -86160.1242 > EAMBER (non-restraint) = -192268.6191 92c92 < NSTEP = 3 TIME(PS) = 100.006 TEMP(K) = 310.17 PRESS = 0. > NSTEP = 3 TIME(PS) = 100.006 TEMP(K) = 321.67 PRESS = 0. 93c93 < Etot = -66428.2609 EKtot = 19663.3031 EPtot = -86091.5640 > Etot = -172722.6219 EKtot = 20392.1234 EPtot = -193114.7453 94c94 < BOND = 5744.8243 ANGLE = 13611.0656 DIHED = 17166.8093 > BOND = 5828.9496 ANGLE = 13979.7436 DIHED = 17159.1329 95c95 < 1-4 NB = 5633.7108 1-4 EEL = 1363.9374 VDWAALS = -13859.0782 > 1-4 NB = 5670.2004 1-4 EEL = 232.4873 VDWAALS = -13838.1514 96c96 < EELEC = -2762.0376 EGB = -112994.0587 RESTRAINT = 3.2630 > EELEC = -3815.9521 EGB = -218334.4385 RESTRAINT = 3.2830 97c97 < EAMBER (non-restraint) = -86094.8270 > EAMBER (non-restraint) = -193118.0282 99c99 < NSTEP = 4 TIME(PS) = 100.008 TEMP(K) = 308.68 PRESS = 0. > NSTEP = 4 TIME(PS) = 100.008 TEMP(K) = 322.35 PRESS = 0. 100c100 < Etot = -66420.5799 EKtot = 19568.8550 EPtot = -85989.4350 > Etot = -173528.0798 EKtot = 20435.0666 EPtot = -193963.1465 101c101 < BOND = 5785.0662 ANGLE = 13664.2768 DIHED = 17153.9854 > BOND = 6020.3089 ANGLE = 14663.8379 DIHED = 17153.4214 102c102 < 1-4 NB = 5634.1604 1-4 EEL = 1350.3293 VDWAALS = -13854.3415 > 1-4 NB = 5698.6032 1-4 EEL = -686.0804 VDWAALS = -13809.6765 103c103 < EELEC = -2738.7744 EGB = -112990.8794 RESTRAINT = 6.7422 > EELEC = -4704.9904 EGB = -218305.3788 RESTRAINT = 6.8083 104c104 < EAMBER (non-restraint) = -85996.1772 > EAMBER (non-restraint) = -193969.9548 106c106 < NSTEP = 5 TIME(PS) = 100.010 TEMP(K) = 308.37 PRESS = 0. > NSTEP = 5 TIME(PS) = 100.010 TEMP(K) = 322.74 PRESS = 0. 107c107 < Etot = -66418.5252 EKtot = 19549.0072 EPtot = -85967.5325 > Etot = -174582.4808 EKtot = 20459.8137 EPtot = -195042.2945 108c108 < BOND = 5774.7190 ANGLE = 13683.8561 DIHED = 17136.6882 > BOND = 6247.6389 ANGLE = 15311.1105 DIHED = 17160.6306 109c109 < 1-4 NB = 5638.5934 1-4 EEL = 1343.5318 VDWAALS = -13848.6332 > 1-4 NB = 5729.1056 1-4 EEL = -1595.7320 VDWAALS = -13777.4574 110c110 < EELEC = -2730.9335 EGB = -112976.0428 RESTRAINT = 10.6885 > EELEC = -5755.2813 EGB = -218373.1363 RESTRAINT = 10.8269 111c111 < EAMBER (non-restraint) = -85978.2210 > EAMBER (non-restraint) = -195053.1214 113c113 < NSTEP = 6 TIME(PS) = 100.012 TEMP(K) = 309.65 PRESS = 0. > NSTEP = 6 TIME(PS) = 100.012 TEMP(K) = 326.58 PRESS = 0. 114c114 < Etot = -66424.5105 EKtot = 19630.2780 EPtot = -86054.7886 > Etot = -175897.3092 EKtot = 20703.3534 EPtot = -196600.6626 115c115 < BOND = 5732.1395 ANGLE = 13628.7543 DIHED = 17122.6311 > BOND = 6538.0666 ANGLE = 15482.1476 DIHED = 17192.1593 116c116 < 1-4 NB = 5643.4863 1-4 EEL = 1344.7590 VDWAALS = -13845.1558 > 1-4 NB = 5752.1302 1-4 EEL = -2349.4842 VDWAALS = -13748.1181 117c117 < EELEC = -2742.6551 EGB = -112953.2747 RESTRAINT = 14.5268 > EELEC = -6905.6554 EGB = -218576.6551 RESTRAINT = 14.7465 118c118 < EAMBER (non-restraint) = -86069.3154 > EAMBER (non-restraint) = -196615.4091 120c120 < NSTEP = 7 TIME(PS) = 100.014 TEMP(K) = 311.24 PRESS = 0. > NSTEP = 7 TIME(PS) = 100.014 TEMP(K) = 332.21 PRESS = 0. 121c121 < Etot = -66431.1728 EKtot = 19731.0804 EPtot = -86162.2532 > Etot = -177432.4231 EKtot = 21060.1206 EPtot = -198492.5437 122c122 < BOND = 5709.9711 ANGLE = 13540.4751 DIHED = 17117.0495 > BOND = 6961.1433 ANGLE = 15174.3365 DIHED = 17253.3945 123c123 < 1-4 NB = 5645.7095 1-4 EEL = 1353.1780 VDWAALS = -13845.2568 > 1-4 NB = 5760.7298 1-4 EEL = -2896.9483 VDWAALS = -13721.8424 124c124 < EELEC = -2771.9415 EGB = -112929.2876 RESTRAINT = 17.8496 > EELEC = -8110.5061 EGB = -218930.9951 RESTRAINT = 18.1440 125c125 < EAMBER (non-restraint) = -86180.1028 > EAMBER (non-restraint) = -198510.6878 127c127 < NSTEP = 8 TIME(PS) = 100.016 TEMP(K) = 311.74 PRESS = 0. > NSTEP = 8 TIME(PS) = 100.016 TEMP(K) = 335.02 PRESS = 0. 128c128 < Etot = -66430.6054 EKtot = 19762.7357 EPtot = -86193.3411 > Etot = -179111.0734 EKtot = 21238.1132 EPtot = -200349.1865 129c129 < BOND = 5721.8306 ANGLE = 13498.9241 DIHED = 17119.4525 > BOND = 7494.9676 ANGLE = 14787.5342 DIHED = 17339.6858 130c130 < 1-4 NB = 5645.1222 1-4 EEL = 1365.7553 VDWAALS = -13846.3760 > 1-4 NB = 5754.6954 1-4 EEL = -3293.0027 VDWAALS = -13694.7762 131c131 < EELEC = -2808.4790 EGB = -112910.0471 RESTRAINT = 20.4763 > EELEC = -9335.9639 EGB = -219423.1621 RESTRAINT = 20.8353 132c132 < EAMBER (non-restraint) = -86213.8174 > EAMBER (non-restraint) = -200370.0219 134c134 < NSTEP = 9 TIME(PS) = 100.018 TEMP(K) = 311.25 PRESS = 0. > NSTEP = 9 TIME(PS) = 100.018 TEMP(K) = 334.10 PRESS = 0. 135c135 < Etot = -66425.8741 EKtot = 19731.2532 EPtot = -86157.1273 > Etot = -180766.3948 EKtot = 21179.7509 EPtot = -201946.1457 136c136 < BOND = 5733.5866 ANGLE = 13525.9252 DIHED = 17124.6040 > BOND = 7973.3590 ANGLE = 14664.4205 DIHED = 17435.3386 137c137 < 1-4 NB = 5642.1061 1-4 EEL = 1378.3198 VDWAALS = -13847.2156 > 1-4 NB = 5740.3243 1-4 EEL = -3648.9837 VDWAALS = -13657.7292 138c138 < EELEC = -2838.1220 EGB = -112898.7742 RESTRAINT = 22.4428 > EELEC = -10555.4023 EGB = -219920.3346 RESTRAINT = 22.8618 139c139 < EAMBER (non-restraint) = -86179.5701 > EAMBER (non-restraint) = -201969.0074 141c141 < NSTEP = 10 TIME(PS) = 100.020 TEMP(K) = 310.71 PRESS = 0. > NSTEP = 10 TIME(PS) = 100.020 TEMP(K) = 333.13 PRESS = 0. 142c142 < Etot = -66425.3584 EKtot = 19697.3366 EPtot = -86122.6951 > Etot = -182308.3040 EKtot = 21118.2661 EPtot = -203426.5701 143c143 < BOND = 5726.1824 ANGLE = 13566.4404 DIHED = 17129.2212 > BOND = 8211.6450 ANGLE = 14836.9186 DIHED = 17522.3342 144c144 < 1-4 NB = 5637.9347 1-4 EEL = 1387.9217 VDWAALS = -13846.7646 > 1-4 NB = 5728.9186 1-4 EEL = -4067.9998 VDWAALS = -13600.8334 145c145 < EELEC = -2851.7834 EGB = -112895.8031 RESTRAINT = 23.9556 > EELEC = -11746.4949 EGB = -220335.4934 RESTRAINT = 24.4350 146c146 < EAMBER (non-restraint) = -86146.6507 > EAMBER (non-restraint) = -203451.0052 148c148 < NSTEP = 11 TIME(PS) = 100.022 TEMP(K) = 310.29 PRESS = 0. > NSTEP = 11 TIME(PS) = 100.022 TEMP(K) = 334.81 PRESS = 0. 149c149 < Etot = -66428.7853 EKtot = 19670.7641 EPtot = -86099.5494 > Etot = -183624.3775 EKtot = 21225.3231 EPtot = -204849.7006 150c150 < BOND = 5727.7010 ANGLE = 13575.6515 DIHED = 17135.4622 > BOND = 8163.8822 ANGLE = 15216.6129 DIHED = 17591.3680 151c151 < 1-4 NB = 5635.1748 1-4 EEL = 1393.9579 VDWAALS = -13843.6104 > 1-4 NB = 5732.3712 1-4 EEL = -4602.2384 VDWAALS = -13522.6682 152c152 < EELEC = -2849.7388 EGB = -112899.4718 RESTRAINT = 25.3241 > EELEC = -12894.2226 EGB = -220560.6731 RESTRAINT = 25.8674 153c153 < EAMBER (non-restraint) = -86124.8735 > EAMBER (non-restraint) = -204875.5680 155c155 < NSTEP = 12 TIME(PS) = 100.024 TEMP(K) = 309.44 PRESS = 0. > NSTEP = 12 TIME(PS) = 100.024 TEMP(K) = 337.58 PRESS = 0. 156c156 < Etot = -66427.7381 EKtot = 19616.9287 EPtot = -86044.6668 > Etot = -184797.6367 EKtot = 21400.3729 EPtot = -206198.0096 157c157 < BOND = 5763.1449 ANGLE = 13570.6275 DIHED = 17146.1693 > BOND = 7928.0469 ANGLE = 15807.1840 DIHED = 17643.6565 158c158 < 1-4 NB = 5635.7045 1-4 EEL = 1396.7020 VDWAALS = -13839.4441 > 1-4 NB = 5759.6559 1-4 EEL = -5236.7249 VDWAALS = -13432.9514 159c159 < EELEC = -2838.3810 EGB = -112906.0472 RESTRAINT = 26.8574 > EELEC = -13986.7918 EGB = -220707.5581 RESTRAINT = 27.4733 160c160 < EAMBER (non-restraint) = -86071.5241 > EAMBER (non-restraint) = -206225.4829 162c162 < NSTEP = 13 TIME(PS) = 100.026 TEMP(K) = 308.46 PRESS = 0. > NSTEP = 13 TIME(PS) = 100.026 TEMP(K) = 338.77 PRESS = 0. 163c163 < Etot = -66421.6456 EKtot = 19554.9244 EPtot = -85976.5699 > Etot = -185889.1717 EKtot = 21476.2619 EPtot = -207365.4336 164c164 < BOND = 5802.4655 ANGLE = 13571.6927 DIHED = 17160.1318 > BOND = 7628.2495 ANGLE = 16588.9895 DIHED = 17685.3912 165c165 < 1-4 NB = 5638.5092 1-4 EEL = 1395.8280 VDWAALS = -13838.4766 > 1-4 NB = 5814.1629 1-4 EEL = -5888.8346 VDWAALS = -13338.2882 166c166 < EELEC = -2824.0395 EGB = -112911.4363 RESTRAINT = 28.7552 > EELEC = -15023.7741 EGB = -220860.7893 RESTRAINT = 29.4596 167c167 < EAMBER (non-restraint) = -86005.3252 > EAMBER (non-restraint) = -207394.8931 169c169 < NSTEP = 14 TIME(PS) = 100.028 TEMP(K) = 308.58 PRESS = 0. > NSTEP = 14 TIME(PS) = 100.028 TEMP(K) = 338.86 PRESS = 0. 170c170 < Etot = -66419.4443 EKtot = 19562.4456 EPtot = -85981.8898 > Etot = -186825.7268 EKtot = 21481.7313 EPtot = -208307.4581 171c171 < BOND = 5795.8891 ANGLE = 13553.2980 DIHED = 17172.8890 > BOND = 7342.2292 ANGLE = 17324.3560 DIHED = 17721.3971 172c172 < 1-4 NB = 5638.7991 1-4 EEL = 1391.5139 VDWAALS = -13841.1269 > 1-4 NB = 5884.9744 1-4 EEL = -6425.7801 VDWAALS = -13225.9720 173c173 < EELEC = -2811.2838 EGB = -112912.9285 RESTRAINT = 31.0604 > EELEC = -16020.0471 EGB = -220940.4866 RESTRAINT = 31.8710 174c174 < EAMBER (non-restraint) = -86012.9502 > EAMBER (non-restraint) = -208339.3291 176c176 < NSTEP = 15 TIME(PS) = 100.030 TEMP(K) = 310.15 PRESS = 0. > NSTEP = 15 TIME(PS) = 100.030 TEMP(K) = 340.26 PRESS = 0. 177c177 < Etot = -66426.0526 EKtot = 19661.5284 EPtot = -86087.5810 > Etot = -187789.1628 EKtot = 21570.6033 EPtot = -209359.7662 178c178 < BOND = 5750.1470 ANGLE = 13489.7847 DIHED = 17180.0214 > BOND = 7127.9852 ANGLE = 17675.5503 DIHED = 17752.9156 179c179 < 1-4 NB = 5634.5261 1-4 EEL = 1385.4140 VDWAALS = -13845.6175 > 1-4 NB = 5939.3778 1-4 EEL = -6717.4427 VDWAALS = -13092.0615 180c180 < EELEC = -2804.8554 EGB = -112910.6969 RESTRAINT = 33.6957 > EELEC = -16998.4403 EGB = -221082.2777 RESTRAINT = 34.6272 181c181 < EAMBER (non-restraint) = -86121.2766 > EAMBER (non-restraint) = -209394.3933 183c183 < NSTEP = 16 TIME(PS) = 100.032 TEMP(K) = 311.71 PRESS = 0. > NSTEP = 16 TIME(PS) = 100.032 TEMP(K) = 343.02 PRESS = 0. 184c184 < Etot = -66433.9227 EKtot = 19760.4319 EPtot = -86194.3546 > Etot = -188697.9242 EKtot = 21745.3976 EPtot = -210443.3218 185c185 < BOND = 5727.0236 ANGLE = 13418.0910 DIHED = 17179.4125 > BOND = 7040.6298 ANGLE = 17557.6134 DIHED = 17781.4268 186c186 < 1-4 NB = 5629.5881 1-4 EEL = 1378.8904 VDWAALS = -13848.3994 > 1-4 NB = 5949.6824 1-4 EEL = -6720.6029 VDWAALS = -12930.9552 187c187 < EELEC = -2808.5649 EGB = -112906.9329 RESTRAINT = 36.5371 > EELEC = -17984.6104 EGB = -221174.1058 RESTRAINT = 37.6001 188c188 < EAMBER (non-restraint) = -86230.8917 > EAMBER (non-restraint) = -210480.9219 190c190 < NSTEP = 17 TIME(PS) = 100.034 TEMP(K) = 311.61 PRESS = 0. > NSTEP = 17 TIME(PS) = 100.034 TEMP(K) = 344.22 PRESS = 0. 191c191 < Etot = -66433.1391 EKtot = 19754.2198 EPtot = -86187.3589 > Etot = -189532.4602 EKtot = 21821.7268 EPtot = -211354.1869 192c192 < BOND = 5756.8905 ANGLE = 13414.8029 DIHED = 17172.0002 > BOND = 7073.1048 ANGLE = 17257.0878 DIHED = 17811.1272 193c193 < 1-4 NB = 5628.0952 1-4 EEL = 1370.9057 VDWAALS = -13843.7664 > 1-4 NB = 5918.6243 1-4 EEL = -6524.9597 VDWAALS = -12742.6618 194c194 < EELEC = -2821.2624 EGB = -112904.4805 RESTRAINT = 39.4559 > EELEC = -19005.3026 EGB = -221181.8691 RESTRAINT = 40.6622 195c195 < EAMBER (non-restraint) = -86226.8148 > EAMBER (non-restraint) = -211394.8491 197c197 < NSTEP = 18 TIME(PS) = 100.036 TEMP(K) = 310.08 PRESS = 0. > NSTEP = 18 TIME(PS) = 100.036 TEMP(K) = 342.27 PRESS = 0. 198c198 < Etot = -66424.7276 EKtot = 19657.4590 EPtot = -86082.1866 > Etot = -190479.5028 EKtot = 21697.9101 EPtot = -212177.4128 199c199 < BOND = 5793.4785 ANGLE = 13503.9031 DIHED = 17161.7665 > BOND = 7124.0872 ANGLE = 17133.4255 DIHED = 17845.2276 200c200 < 1-4 NB = 5629.4176 1-4 EEL = 1358.9330 VDWAALS = -13830.1099 > 1-4 NB = 5877.0593 1-4 EEL = -6310.3880 VDWAALS = -12514.8744 201c201 < EELEC = -2836.2461 EGB = -112905.6548 RESTRAINT = 42.3256 > EELEC = -20083.5011 EGB = -221292.1409 RESTRAINT = 43.6920 202c202 < EAMBER (non-restraint) = -86124.5122 > EAMBER (non-restraint) = -212221.1048 204c204 < NSTEP = 19 TIME(PS) = 100.038 TEMP(K) = 308.94 PRESS = 0. > NSTEP = 19 TIME(PS) = 100.038 TEMP(K) = 339.49 PRESS = 0. 205c205 < Etot = -66420.0391 EKtot = 19584.8157 EPtot = -86004.8548 > Etot = -191449.4697 EKtot = 21522.0155 EPtot = -212971.4852 206c206 < BOND = 5781.2635 ANGLE = 13611.6605 DIHED = 17156.0115 > BOND = 7091.3002 ANGLE = 17273.9201 DIHED = 17883.8441 207c207 < 1-4 NB = 5630.0308 1-4 EEL = 1342.4866 VDWAALS = -13813.7445 > 1-4 NB = 5852.9883 1-4 EEL = -6248.6710 VDWAALS = -12257.0015 208c208 < EELEC = -2845.6552 EGB = -112911.9366 RESTRAINT = 45.0286 > EELEC = -21239.2004 EGB = -221375.2431 RESTRAINT = 46.5780 209c209 < EAMBER (non-restraint) = -86049.8833 > EAMBER (non-restraint) = -213018.0632 211c211 < NSTEP = 20 TIME(PS) = 100.040 TEMP(K) = 309.12 PRESS = 0. > NSTEP = 20 TIME(PS) = 100.040 TEMP(K) = 339.01 PRESS = 0. 212c212 < Etot = -66425.9711 EKtot = 19596.4843 EPtot = -86022.4554 > Etot = -192486.3509 EKtot = 21491.2941 EPtot = -213977.6450 213c213 < BOND = 5741.5120 ANGLE = 13646.9481 DIHED = 17161.3947 > BOND = 6993.6404 ANGLE = 17533.9053 DIHED = 17924.4054 214c214 < 1-4 NB = 5628.3643 1-4 EEL = 1324.1271 VDWAALS = -13804.8220 > 1-4 NB = 5855.5882 1-4 EEL = -6431.7999 VDWAALS = -11946.4072 215c215 < EELEC = -2843.1783 EGB = -112924.2907 RESTRAINT = 47.4894 > EELEC = -22479.9338 EGB = -221476.2939 RESTRAINT = 49.2505 216c216 < EAMBER (non-restraint) = -86069.9448 > EAMBER (non-restraint) = -214026.8955 218c218 < NSTEP = 21 TIME(PS) = 100.042 TEMP(K) = 309.40 PRESS = 0. > NSTEP = 21 TIME(PS) = 100.042 TEMP(K) = 340.25 PRESS = 0. 219c219 < Etot = -66433.5947 EKtot = 19613.9187 EPtot = -86047.5135 > Etot = -193693.5579 EKtot = 21570.2200 EPtot = -215263.7780 220c220 < BOND = 5749.2556 ANGLE = 13614.7860 DIHED = 17176.6551 > BOND = 6949.8298 ANGLE = 17839.0877 DIHED = 17960.9604 221c221 < 1-4 NB = 5626.6687 1-4 EEL = 1306.5344 VDWAALS = -13804.8681 > 1-4 NB = 5888.9654 1-4 EEL = -6858.2773 VDWAALS = -11706.3671 222c222 < EELEC = -2823.3931 EGB = -112942.8691 RESTRAINT = 49.7171 > EELEC = -23776.8931 EGB = -221612.8075 RESTRAINT = 51.7236 223c223 < EAMBER (non-restraint) = -86097.2306 > EAMBER (non-restraint) = -215315.5016 225c225 < NSTEP = 22 TIME(PS) = 100.044 TEMP(K) = 308.26 PRESS = 0. > NSTEP = 22 TIME(PS) = 100.044 TEMP(K) = 340.17 PRESS = 0. 226c226 < Etot = -66429.8298 EKtot = 19541.7689 EPtot = -85971.5987 > Etot = -194924.1634 EKtot = 21565.0512 EPtot = -216489.2145 227c227 < BOND = 5826.1491 ANGLE = 13596.0956 DIHED = 17192.9321 > BOND = 7029.6467 ANGLE = 18255.4414 DIHED = 17987.5980 228c228 < 1-4 NB = 5627.7847 1-4 EEL = 1290.7404 VDWAALS = -13807.1675 > 1-4 NB = 5952.2178 1-4 EEL = -7440.4977 VDWAALS = -11423.1697 229c229 < EELEC = -2783.5243 EGB = -112966.4130 RESTRAINT = 51.8042 > EELEC = -25100.9988 EGB = -221803.5435 RESTRAINT = 54.0911 230c230 < EAMBER (non-restraint) = -86023.4029 > EAMBER (non-restraint) = -216543.3057 232c232 < NSTEP = 23 TIME(PS) = 100.046 TEMP(K) = 306.45 PRESS = 0. > NSTEP = 23 TIME(PS) = 100.046 TEMP(K) = 338.30 PRESS = 0. 233c233 < Etot = -66419.4016 EKtot = 19427.4621 EPtot = -85846.8637 > Etot = -196319.9410 EKtot = 21446.5564 EPtot = -217766.4974 234c234 < BOND = 5898.9449 ANGLE = 13621.4908 DIHED = 17201.0557 > BOND = 7177.8282 ANGLE = 18740.3595 DIHED = 18003.1444 235c235 < 1-4 NB = 5631.6808 1-4 EEL = 1278.4372 VDWAALS = -13811.3957 > 1-4 NB = 6022.9255 1-4 EEL = -8019.9575 VDWAALS = -11136.2488 236c236 < EELEC = -2728.0750 EGB = -112992.8746 RESTRAINT = 53.8722 > EELEC = -26417.6214 EGB = -222193.3934 RESTRAINT = 56.4660 237c237 < EAMBER (non-restraint) = -85900.7359 > EAMBER (non-restraint) = -217822.9634 239c239 < NSTEP = 24 TIME(PS) = 100.048 TEMP(K) = 306.07 PRESS = 0. > NSTEP = 24 TIME(PS) = 100.048 TEMP(K) = 337.72 PRESS = 0. 240c240 < Etot = -66416.6054 EKtot = 19403.0821 EPtot = -85819.6876 > Etot = -197807.5362 EKtot = 21409.7980 EPtot = -219217.3342 241c241 < BOND = 5885.0352 ANGLE = 13639.6261 DIHED = 17195.7872 > BOND = 7308.3378 ANGLE = 19024.4965 DIHED = 18009.9381 242c242 < 1-4 NB = 5637.3838 1-4 EEL = 1274.3282 VDWAALS = -13819.4461 > 1-4 NB = 6061.9810 1-4 EEL = -8419.7259 VDWAALS = -10916.1071 243c243 < EELEC = -2669.3088 EGB = -113019.1125 RESTRAINT = 56.0193 > EELEC = -27721.6691 EGB = -222623.5136 RESTRAINT = 58.9280 244c244 < EAMBER (non-restraint) = -85875.7069 > EAMBER (non-restraint) = -219276.2622 246c246 < NSTEP = 25 TIME(PS) = 100.050 TEMP(K) = 307.60 PRESS = 0. > NSTEP = 25 TIME(PS) = 100.050 TEMP(K) = 340.29 PRESS = 0. 247c247 < Etot = -66424.7990 EKtot = 19500.0747 EPtot = -85924.8737 > Etot = -199360.1740 EKtot = 21572.3461 EPtot = -220932.5201 248c248 < BOND = 5791.5306 ANGLE = 13613.4400 DIHED = 17177.7040 > BOND = 7426.2842 ANGLE = 18880.8078 DIHED = 18011.5939 249c249 < 1-4 NB = 5644.7383 1-4 EEL = 1282.9584 VDWAALS = -13830.0296 > 1-4 NB = 6049.1537 1-4 EEL = -8535.5127 VDWAALS = -10642.2872 250c250 < EELEC = -2620.4231 EGB = -113043.0977 RESTRAINT = 58.3055 > EELEC = -29037.4585 EGB = -223146.6197 RESTRAINT = 61.5185 251c251 < EAMBER (non-restraint) = -85983.1792 > EAMBER (non-restraint) = -220994.0387 254c254 < NSTEP = 25 TIME(PS) = 100.050 TEMP(K) = 309.60 PRESS = 0. > NSTEP = 25 TIME(PS) = 100.050 TEMP(K) = 334.07 PRESS = 0. 255c255 < Etot = -66426.0566 EKtot = 19626.6359 EPtot = -86052.6925 > Etot = -184961.1816 EKtot = 21178.4525 EPtot = -206139.6341 256c256 < BOND = 5764.7585 ANGLE = 13575.6649 DIHED = 17158.7426 > BOND = 7043.8703 ANGLE = 16331.7021 DIHED = 17606.1693 257c257 < 1-4 NB = 5636.0605 1-4 EEL = 1353.6660 VDWAALS = -13837.7775 > 1-4 NB = 5827.6736 1-4 EEL = -4652.3469 VDWAALS = -12895.9974 258c258 < EELEC = -2791.0367 EGB = -112942.6530 RESTRAINT = 29.8821 > EELEC = -14987.7712 EGB = -220443.8385 RESTRAINT = 30.9045 259c259 < EAMBER (non-restraint) = -86082.5746 > EAMBER (non-restraint) = -206170.5386 262c262 < NSTEP = 25 TIME(PS) = 100.050 TEMP(K) = 1.53 PRESS = 0. > NSTEP = 25 TIME(PS) = 100.050 TEMP(K) = 8.50 PRESS = 0. 263c263 < Etot = 4.9739 EKtot = 96.8895 EPtot = 100.6866 > Etot = 8430.7223 EKtot = 538.8381 EPtot = 8891.2351 264c264 < BOND = 49.7753 ANGLE = 68.3793 DIHED = 23.9127 > BOND = 697.1608 ANGLE = 1655.5438 DIHED = 316.7445 265c265 < 1-4 NB = 6.0252 1-4 EEL = 38.9825 VDWAALS = 17.6192 > 1-4 NB = 121.0219 1-4 EEL = 2881.9271 VDWAALS = 1013.3520 266c266 < EELEC = 57.5840 EGB = 42.3906 RESTRAINT = 17.5785 > EELEC = 8011.5634 EGB = 1434.9898 RESTRAINT = 18.4640 267c267 < EAMBER (non-restraint) = 83.1081 > EAMBER (non-restraint) = 8872.7711 ### Maximum absolute error in matching lines = 1.35e+05 at line 251 field 4 ### Maximum relative error in matching lines = 1.69e+03 at line 263 field 3 --------------------------------------- possible FAILURE: check nucleosome_md2_ntt0.out.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nucleosome 76c76 < NSTEP = 1 TIME(PS) = 200.002 TEMP(K) = 310.17 PRESS = 0. > NSTEP = 1 TIME(PS) = 200.002 TEMP(K) = 311.13 PRESS = 0. 77c77 < Etot = -66964.4671 EKtot = 19662.9093 EPtot = -86627.3764 > Etot = -168726.6596 EKtot = 19723.7362 EPtot = -188450.3958 80c80 < EELEC = -11329.1594 EGB = -105516.8786 RESTRAINT = 0. > EELEC = -11329.1594 EGB = -207339.8981 RESTRAINT = 0. 82c82 < NSTEP = 2 TIME(PS) = 200.004 TEMP(K) = 310.04 PRESS = 0. > NSTEP = 2 TIME(PS) = 200.004 TEMP(K) = 315.30 PRESS = 0. 83c83 < Etot = -66964.6406 EKtot = 19654.9785 EPtot = -86619.6191 > Etot = -169023.5911 EKtot = 19988.3544 EPtot = -189011.9455 84c84 < BOND = 5723.8866 ANGLE = 13684.5321 DIHED = 16971.7376 > BOND = 5740.5829 ANGLE = 13774.6870 DIHED = 16965.2558 85c85 < 1-4 NB = 5627.6596 1-4 EEL = 1602.8048 VDWAALS = -13375.5347 > 1-4 NB = 5642.3558 1-4 EEL = 1201.6015 VDWAALS = -13364.8591 86c86 < EELEC = -11336.0004 EGB = -105519.5835 RESTRAINT = 0.8788 > EELEC = -11670.3944 EGB = -207302.0558 RESTRAINT = 0.8807 87c87 < EAMBER (non-restraint) = -86620.4979 > EAMBER (non-restraint) = -189012.8262 89c89 < NSTEP = 3 TIME(PS) = 200.006 TEMP(K) = 310.11 PRESS = 0. > NSTEP = 3 TIME(PS) = 200.006 TEMP(K) = 319.75 PRESS = 0. 90c90 < Etot = -66965.5695 EKtot = 19658.9970 EPtot = -86624.5665 > Etot = -169594.9655 EKtot = 20270.3922 EPtot = -189865.3577 91c91 < BOND = 5679.7824 ANGLE = 13697.5849 DIHED = 16978.7911 > BOND = 5768.1986 ANGLE = 14122.9774 DIHED = 16965.5203 92c92 < 1-4 NB = 5628.4506 1-4 EEL = 1647.6284 VDWAALS = -13377.3764 > 1-4 NB = 5668.8649 1-4 EEL = 524.4351 VDWAALS = -13347.2723 93c93 < EELEC = -11358.7856 EGB = -105523.9956 RESTRAINT = 3.3537 > EELEC = -12314.2712 EGB = -207257.1818 RESTRAINT = 3.3712 94c94 < EAMBER (non-restraint) = -86627.9202 > EAMBER (non-restraint) = -189868.7290 96c96 < NSTEP = 4 TIME(PS) = 200.008 TEMP(K) = 310.13 PRESS = 0. > NSTEP = 4 TIME(PS) = 200.008 TEMP(K) = 321.83 PRESS = 0. 97c97 < Etot = -66966.1724 EKtot = 19660.3486 EPtot = -86626.5210 > Etot = -170406.0157 EKtot = 20402.4065 EPtot = -190808.4222 98c98 < BOND = 5661.2666 ANGLE = 13704.6550 DIHED = 16979.7803 > BOND = 5902.0499 ANGLE = 14703.8059 DIHED = 16969.1990 99c99 < 1-4 NB = 5626.7512 1-4 EEL = 1692.6120 VDWAALS = -13380.8171 > 1-4 NB = 5696.5489 1-4 EEL = -323.3000 VDWAALS = -13325.6526 100c100 < EELEC = -11393.3421 EGB = -105524.3768 RESTRAINT = 6.9499 > EELEC = -13187.0702 EGB = -207251.0133 RESTRAINT = 7.0102 101c101 < EAMBER (non-restraint) = -86633.4709 > EAMBER (non-restraint) = -190815.4324 103c103 < NSTEP = 5 TIME(PS) = 200.010 TEMP(K) = 310.00 PRESS = 0. > NSTEP = 5 TIME(PS) = 200.010 TEMP(K) = 323.19 PRESS = 0. 104c104 < Etot = -66964.6429 EKtot = 19652.4906 EPtot = -86617.1335 > Etot = -171453.4929 EKtot = 20488.4793 EPtot = -191941.9722 105c105 < BOND = 5709.0522 ANGLE = 13674.3786 DIHED = 16973.0019 > BOND = 6183.9691 ANGLE = 15188.9592 DIHED = 16982.5786 106c106 < 1-4 NB = 5622.6672 1-4 EEL = 1720.5396 VDWAALS = -13381.1879 > 1-4 NB = 5717.4167 1-4 EEL = -1179.4011 VDWAALS = -13299.0471 107c107 < EELEC = -11430.4901 EGB = -105516.1120 RESTRAINT = 11.0169 > EELEC = -14214.9248 EGB = -207332.6692 RESTRAINT = 11.1465 108c108 < EAMBER (non-restraint) = -86628.1504 > EAMBER (non-restraint) = -191953.1187 110c110 < NSTEP = 6 TIME(PS) = 200.012 TEMP(K) = 310.07 PRESS = 0. > NSTEP = 6 TIME(PS) = 200.012 TEMP(K) = 326.53 PRESS = 0. 111c111 < Etot = -66962.5507 EKtot = 19656.9404 EPtot = -86619.4911 > Etot = -172739.9508 EKtot = 20699.8823 EPtot = -193439.8331 112c112 < BOND = 5801.9687 ANGLE = 13601.2574 DIHED = 16959.3941 > BOND = 6600.1803 ANGLE = 15266.0426 DIHED = 17009.8000 113c113 < 1-4 NB = 5619.8204 1-4 EEL = 1720.2662 VDWAALS = -13377.7132 > 1-4 NB = 5729.6967 1-4 EEL = -1913.5439 VDWAALS = -13266.2885 114c114 < EELEC = -11461.9862 EGB = -105497.4333 RESTRAINT = 14.9348 > EELEC = -15339.5829 EGB = -207541.2848 RESTRAINT = 15.1474 115c115 < EAMBER (non-restraint) = -86634.4259 > EAMBER (non-restraint) = -193454.9804 117c117 < NSTEP = 7 TIME(PS) = 200.014 TEMP(K) = 310.71 PRESS = 0. > NSTEP = 7 TIME(PS) = 200.014 TEMP(K) = 331.16 PRESS = 0. 118c118 < Etot = -66964.6938 EKtot = 19697.3686 EPtot = -86662.0624 > Etot = -174235.6170 EKtot = 20993.7843 EPtot = -195229.4013 119c119 < BOND = 5869.8929 ANGLE = 13525.4743 DIHED = 16943.5120 > BOND = 7097.4110 ANGLE = 14989.4382 DIHED = 17053.9071 120c120 < 1-4 NB = 5619.6067 1-4 EEL = 1691.4041 VDWAALS = -13375.1479 > 1-4 NB = 5733.1390 1-4 EEL = -2479.7809 VDWAALS = -13228.0062 121c121 < EELEC = -11484.3443 EGB = -105470.7466 RESTRAINT = 18.2864 > EELEC = -16519.3774 EGB = -207894.7174 RESTRAINT = 18.5854 122c122 < EAMBER (non-restraint) = -86680.3487 > EAMBER (non-restraint) = -195247.9867 124c124 < NSTEP = 8 TIME(PS) = 200.016 TEMP(K) = 311.43 PRESS = 0. > NSTEP = 8 TIME(PS) = 200.016 TEMP(K) = 333.71 PRESS = 0. 125c125 < Etot = -66969.8314 EKtot = 19742.8012 EPtot = -86712.6327 > Etot = -175886.2514 EKtot = 21155.1870 EPtot = -197041.4384 126c126 < BOND = 5872.4002 ANGLE = 13512.5978 DIHED = 16932.9274 > BOND = 7603.2297 ANGLE = 14714.2912 DIHED = 17116.9185 127c127 < 1-4 NB = 5620.5193 1-4 EEL = 1643.9708 VDWAALS = -13376.3170 > 1-4 NB = 5728.2710 1-4 EEL = -2922.1398 VDWAALS = -13183.3551 128c128 < EELEC = -11498.2183 EGB = -105441.4356 RESTRAINT = 20.9227 > EELEC = -17725.3516 EGB = -208394.6137 RESTRAINT = 21.3114 129c129 < EAMBER (non-restraint) = -86733.5553 > EAMBER (non-restraint) = -197062.7498 131c131 < NSTEP = 9 TIME(PS) = 200.018 TEMP(K) = 311.19 PRESS = 0. > NSTEP = 9 TIME(PS) = 200.018 TEMP(K) = 332.84 PRESS = 0. 132c132 < Etot = -66970.0936 EKtot = 19727.9535 EPtot = -86698.0471 > Etot = -177517.9179 EKtot = 21100.2443 EPtot = -198618.1622 133c133 < BOND = 5843.5447 ANGLE = 13583.5805 DIHED = 16934.8983 > BOND = 8027.3774 ANGLE = 14712.8423 DIHED = 17197.0316 134c134 < 1-4 NB = 5620.6012 1-4 EEL = 1594.7678 VDWAALS = -13377.0033 > 1-4 NB = 5719.2389 1-4 EEL = -3331.6706 VDWAALS = -13127.9856 135c135 < EELEC = -11506.1674 EGB = -105415.1866 RESTRAINT = 22.9177 > EELEC = -18935.7652 EGB = -208902.6335 RESTRAINT = 23.4026 136c136 < EAMBER (non-restraint) = -86720.9648 > EAMBER (non-restraint) = -198641.5648 138c138 < NSTEP = 10 TIME(PS) = 200.020 TEMP(K) = 310.00 PRESS = 0. > NSTEP = 10 TIME(PS) = 200.020 TEMP(K) = 331.44 PRESS = 0. 139c139 < Etot = -66963.8814 EKtot = 19652.3898 EPtot = -86616.2712 > Etot = -179046.6685 EKtot = 21011.5413 EPtot = -200058.2098 140c140 < BOND = 5844.4200 ANGLE = 13665.9032 DIHED = 16951.9227 > BOND = 8270.3068 ANGLE = 14969.0441 DIHED = 17286.2496 141c141 < 1-4 NB = 5617.2731 1-4 EEL = 1561.8462 VDWAALS = -13374.2719 > 1-4 NB = 5712.1942 1-4 EEL = -3790.7507 VDWAALS = -13061.3282 142c142 < EELEC = -11511.4566 EGB = -105396.3794 RESTRAINT = 24.4716 > EELEC = -20132.4377 EGB = -209336.5479 RESTRAINT = 25.0599 143c143 < EAMBER (non-restraint) = -86640.7428 > EAMBER (non-restraint) = -200083.2697 145c145 < NSTEP = 11 TIME(PS) = 200.022 TEMP(K) = 309.12 PRESS = 0. > NSTEP = 11 TIME(PS) = 200.022 TEMP(K) = 332.85 PRESS = 0. 146c146 < Etot = -66959.8746 EKtot = 19596.6686 EPtot = -86556.5432 > Etot = -180452.3700 EKtot = 21100.9477 EPtot = -201553.3177 147c147 < BOND = 5890.3685 ANGLE = 13659.1153 DIHED = 16978.2532 > BOND = 8270.0554 ANGLE = 15358.2022 DIHED = 17372.0310 148c148 < 1-4 NB = 5608.1389 1-4 EEL = 1557.7451 VDWAALS = -13369.9474 > 1-4 NB = 5713.8134 1-4 EEL = -4336.6059 VDWAALS = -12988.7549 149c149 < EELEC = -11518.1973 EGB = -105387.8557 RESTRAINT = 25.8363 > EELEC = -21299.7987 EGB = -209668.7972 RESTRAINT = 26.5371 150c150 < EAMBER (non-restraint) = -86582.3795 > EAMBER (non-restraint) = -201579.8548 152c152 < NSTEP = 12 TIME(PS) = 200.024 TEMP(K) = 309.38 PRESS = 0. > NSTEP = 12 TIME(PS) = 200.024 TEMP(K) = 336.48 PRESS = 0. 153c153 < Etot = -66963.4531 EKtot = 19613.0644 EPtot = -86576.5175 > Etot = -181705.5594 EKtot = 21330.7525 EPtot = -203036.3119 154c154 < BOND = 5943.4827 ANGLE = 13559.3712 DIHED = 17000.7296 > BOND = 8055.5053 ANGLE = 15877.9858 DIHED = 17442.3339 155c155 < 1-4 NB = 5594.7962 1-4 EEL = 1583.0123 VDWAALS = -13366.2840 > 1-4 NB = 5731.6610 1-4 EEL = -4947.1253 VDWAALS = -12922.9111 156c156 < EELEC = -11529.2240 EGB = -105389.6723 RESTRAINT = 27.2707 > EELEC = -22427.5485 EGB = -209874.3136 RESTRAINT = 28.1005 157c157 < EAMBER (non-restraint) = -86603.7882 > EAMBER (non-restraint) = -203064.4124 159c159 < NSTEP = 13 TIME(PS) = 200.026 TEMP(K) = 310.08 PRESS = 0. > NSTEP = 13 TIME(PS) = 200.026 TEMP(K) = 338.90 PRESS = 0. 160c160 < Etot = -66969.0571 EKtot = 19657.3411 EPtot = -86626.3982 > Etot = -182959.2353 EKtot = 21484.4219 EPtot = -204443.6571 161c161 < BOND = 5961.6244 ANGLE = 13471.6174 DIHED = 17007.2950 > BOND = 7736.5512 ANGLE = 16571.8590 DIHED = 17491.4253 162c162 < 1-4 NB = 5583.3766 1-4 EEL = 1626.0032 VDWAALS = -13363.9962 > 1-4 NB = 5773.4021 1-4 EEL = -5541.7670 VDWAALS = -12853.2243 163c163 < EELEC = -11543.1499 EGB = -105398.1591 RESTRAINT = 28.9904 > EELEC = -23507.5399 EGB = -210144.3361 RESTRAINT = 29.9726 164c164 < EAMBER (non-restraint) = -86655.3887 > EAMBER (non-restraint) = -204473.6297 166c166 < NSTEP = 14 TIME(PS) = 200.028 TEMP(K) = 310.06 PRESS = 0. > NSTEP = 14 TIME(PS) = 200.028 TEMP(K) = 338.72 PRESS = 0. 167c167 < Etot = -66968.9999 EKtot = 19656.2636 EPtot = -86625.2635 > Etot = -184044.7531 EKtot = 21472.6934 EPtot = -205517.4465 168c168 < BOND = 5933.5864 ANGLE = 13488.5400 DIHED = 16995.1344 > BOND = 7429.3569 ANGLE = 17295.3672 DIHED = 17522.4565 169c169 < 1-4 NB = 5579.3205 1-4 EEL = 1669.4887 VDWAALS = -13360.8539 > 1-4 NB = 5835.9367 1-4 EEL = -6001.3432 VDWAALS = -12761.6090 170c170 < EELEC = -11554.5891 EGB = -105407.0010 RESTRAINT = 31.1105 > EELEC = -24533.6608 EGB = -210336.2154 RESTRAINT = 32.2647 171c171 < EAMBER (non-restraint) = -86656.3740 > EAMBER (non-restraint) = -205549.7112 173c173 < NSTEP = 15 TIME(PS) = 200.030 TEMP(K) = 309.38 PRESS = 0. > NSTEP = 15 TIME(PS) = 200.030 TEMP(K) = 338.24 PRESS = 0. 174c174 < Etot = -66962.6770 EKtot = 19612.7882 EPtot = -86575.4652 > Etot = -185008.8153 EKtot = 21442.3110 EPtot = -206451.1263 175c175 < BOND = 5875.1838 ANGLE = 13586.0999 DIHED = 16970.2872 > BOND = 7197.0660 ANGLE = 17735.2789 DIHED = 17544.6298 176c176 < 1-4 NB = 5583.2914 1-4 EEL = 1699.1857 VDWAALS = -13353.8610 > 1-4 NB = 5879.5937 1-4 EEL = -6217.9028 VDWAALS = -12659.6177 177c177 < EELEC = -11558.6664 EGB = -105410.5938 RESTRAINT = 33.6080 > EELEC = -25513.2224 EGB = -210451.8947 RESTRAINT = 34.9428 178c178 < EAMBER (non-restraint) = -86609.0732 > EAMBER (non-restraint) = -206486.0691 180c180 < NSTEP = 16 TIME(PS) = 200.032 TEMP(K) = 309.33 PRESS = 0. > NSTEP = 16 TIME(PS) = 200.032 TEMP(K) = 339.58 PRESS = 0. 181c181 < Etot = -66958.8874 EKtot = 19609.9426 EPtot = -86568.8300 > Etot = -185946.0292 EKtot = 21527.5126 EPtot = -207473.5418 182c182 < BOND = 5810.0101 ANGLE = 13650.1406 DIHED = 16943.7263 > BOND = 7053.1864 ANGLE = 17731.7960 DIHED = 17568.9651 183c183 < 1-4 NB = 5590.2146 1-4 EEL = 1708.6359 VDWAALS = -13346.8906 > 1-4 NB = 5879.1785 1-4 EEL = -6181.2367 VDWAALS = -12524.1360 184c184 < EELEC = -11554.3781 EGB = -105406.6228 RESTRAINT = 36.3339 > EELEC = -26471.0838 EGB = -210568.0665 RESTRAINT = 37.8552 185c185 < EAMBER (non-restraint) = -86605.1640 > EAMBER (non-restraint) = -207511.3969 187c187 < NSTEP = 17 TIME(PS) = 200.034 TEMP(K) = 310.65 PRESS = 0. > NSTEP = 17 TIME(PS) = 200.034 TEMP(K) = 341.62 PRESS = 0. 188c188 < Etot = -66964.2841 EKtot = 19693.6281 EPtot = -86657.9123 > Etot = -186806.1821 EKtot = 21656.6207 EPtot = -208462.8028 189c189 < BOND = 5757.2408 ANGLE = 13609.6849 DIHED = 16927.3348 > BOND = 6988.1113 ANGLE = 17463.0666 DIHED = 17604.0134 190c190 < 1-4 NB = 5594.2983 1-4 EEL = 1699.1816 VDWAALS = -13345.0826 > 1-4 NB = 5856.0854 1-4 EEL = -6004.7300 VDWAALS = -12362.3663 191c191 < EELEC = -11542.8823 EGB = -105396.7804 RESTRAINT = 39.0926 > EELEC = -27441.4546 EGB = -210606.3464 RESTRAINT = 40.8178 192c192 < EAMBER (non-restraint) = -86697.0049 > EAMBER (non-restraint) = -208503.6206 194c194 < NSTEP = 18 TIME(PS) = 200.036 TEMP(K) = 312.20 PRESS = 0. > NSTEP = 18 TIME(PS) = 200.036 TEMP(K) = 342.11 PRESS = 0. 195c195 < Etot = -66972.3815 EKtot = 19791.7592 EPtot = -86764.1407 > Etot = -187732.7926 EKtot = 21688.0586 EPtot = -209420.8512 196c196 < BOND = 5727.1102 ANGLE = 13525.8618 DIHED = 16928.2296 > BOND = 6977.5627 ANGLE = 17254.2089 DIHED = 17650.2713 197c197 < 1-4 NB = 5595.4820 1-4 EEL = 1677.3686 VDWAALS = -13348.8052 > 1-4 NB = 5831.8350 1-4 EEL = -5851.3386 VDWAALS = -12156.2486 198c198 < EELEC = -11524.7859 EGB = -105386.3453 RESTRAINT = 41.7437 > EELEC = -28461.4018 EGB = -210709.4441 RESTRAINT = 43.7040 199c199 < EAMBER (non-restraint) = -86805.8844 > EAMBER (non-restraint) = -209464.5552 201c201 < NSTEP = 19 TIME(PS) = 200.038 TEMP(K) = 312.30 PRESS = 0. > NSTEP = 19 TIME(PS) = 200.038 TEMP(K) = 340.79 PRESS = 0. 202c202 < Etot = -66972.5124 EKtot = 19797.9782 EPtot = -86770.4906 > Etot = -188632.7598 EKtot = 21603.8758 EPtot = -210236.6356 203c203 < BOND = 5718.5470 ANGLE = 13511.1182 DIHED = 16944.4351 > BOND = 6986.2923 ANGLE = 17293.9889 DIHED = 17698.3384 204c204 < 1-4 NB = 5596.6567 1-4 EEL = 1651.7534 VDWAALS = -13355.7511 > 1-4 NB = 5821.6630 1-4 EEL = -5857.0679 VDWAALS = -11920.3993 205c205 < EELEC = -11499.9922 EGB = -105381.5089 RESTRAINT = 44.2511 > EELEC = -29557.2773 EGB = -210748.6553 RESTRAINT = 46.4816 206c206 < EAMBER (non-restraint) = -86814.7417 > EAMBER (non-restraint) = -210283.1173 208c208 < NSTEP = 20 TIME(PS) = 200.040 TEMP(K) = 310.88 PRESS = 0. > NSTEP = 20 TIME(PS) = 200.040 TEMP(K) = 339.38 PRESS = 0. 209c209 < Etot = -66965.3051 EKtot = 19708.2844 EPtot = -86673.5894 > Etot = -189793.6266 EKtot = 21514.4744 EPtot = -211308.1009 210c210 < BOND = 5722.6263 ANGLE = 13581.7149 DIHED = 16966.6242 > BOND = 6988.6572 ANGLE = 17561.3821 DIHED = 17735.2293 211c211 < 1-4 NB = 5597.7458 1-4 EEL = 1629.7049 VDWAALS = -13363.4460 > 1-4 NB = 5834.0460 1-4 EEL = -6091.0329 VDWAALS = -11677.1282 212c212 < EELEC = -11469.0955 EGB = -105386.1158 RESTRAINT = 46.6516 > EELEC = -30737.5966 EGB = -210970.8411 RESTRAINT = 49.1834 213c213 < EAMBER (non-restraint) = -86720.2411 > EAMBER (non-restraint) = -211357.2843 215c215 < NSTEP = 21 TIME(PS) = 200.042 TEMP(K) = 309.36 PRESS = 0. > NSTEP = 21 TIME(PS) = 200.042 TEMP(K) = 339.02 PRESS = 0. 216c216 < Etot = -66961.5542 EKtot = 19611.7949 EPtot = -86573.3491 > Etot = -190968.4488 EKtot = 21492.0160 EPtot = -212460.4648 217c217 < BOND = 5735.6116 ANGLE = 13652.8974 DIHED = 16985.1841 > BOND = 6993.2301 ANGLE = 17966.1030 DIHED = 17754.3709 218c218 < 1-4 NB = 5597.2732 1-4 EEL = 1613.7560 VDWAALS = -13370.9369 > 1-4 NB = 5870.6477 1-4 EEL = -6542.8929 VDWAALS = -11407.5891 219c219 < EELEC = -11434.0242 EGB = -105402.1025 RESTRAINT = 48.9922 > EELEC = -31987.8574 EGB = -211158.3290 RESTRAINT = 51.8518 220c220 < EAMBER (non-restraint) = -86622.3413 > EAMBER (non-restraint) = -212512.3166 222c222 < NSTEP = 22 TIME(PS) = 200.044 TEMP(K) = 308.60 PRESS = 0. > NSTEP = 22 TIME(PS) = 200.044 TEMP(K) = 338.82 PRESS = 0. 223c223 < Etot = -66963.2486 EKtot = 19563.7563 EPtot = -86527.0049 > Etot = -192255.4448 EKtot = 21479.5661 EPtot = -213735.0109 224c224 < BOND = 5766.4604 ANGLE = 13664.5415 DIHED = 16995.4834 > BOND = 7037.2755 ANGLE = 18447.9610 DIHED = 17760.2903 225c225 < 1-4 NB = 5596.3888 1-4 EEL = 1600.1651 VDWAALS = -13376.5824 > 1-4 NB = 5928.3616 1-4 EEL = -7121.8559 VDWAALS = -11106.5830 226c226 < EELEC = -11396.4257 EGB = -105428.3400 RESTRAINT = 51.3039 > EELEC = -33276.4588 EGB = -211458.5166 RESTRAINT = 54.5151 227c227 < EAMBER (non-restraint) = -86578.3088 > EAMBER (non-restraint) = -213789.5260 229c229 < NSTEP = 23 TIME(PS) = 200.046 TEMP(K) = 308.42 PRESS = 0. > NSTEP = 23 TIME(PS) = 200.046 TEMP(K) = 338.03 PRESS = 0. 230c230 < Etot = -66963.8551 EKtot = 19551.8339 EPtot = -86515.6890 > Etot = -193691.6317 EKtot = 21429.3233 EPtot = -215120.9550 231c231 < BOND = 5819.4510 ANGLE = 13632.3747 DIHED = 16997.4765 > BOND = 7146.1945 ANGLE = 18891.2764 DIHED = 17763.7317 232c232 < 1-4 NB = 5595.6668 1-4 EEL = 1581.9751 VDWAALS = -13379.2043 > 1-4 NB = 5988.9070 1-4 EEL = -7672.0343 VDWAALS = -10856.5106 233c233 < EELEC = -11356.4991 EGB = -105460.5422 RESTRAINT = 53.6123 > EELEC = -34575.5433 EGB = -211864.1683 RESTRAINT = 57.1919 234c234 < EAMBER (non-restraint) = -86569.3014 > EAMBER (non-restraint) = -215178.1470 236c236 < NSTEP = 24 TIME(PS) = 200.048 TEMP(K) = 308.65 PRESS = 0. > NSTEP = 24 TIME(PS) = 200.048 TEMP(K) = 338.07 PRESS = 0. 237c237 < Etot = -66963.0642 EKtot = 19566.7787 EPtot = -86529.8429 > Etot = -195210.8995 EKtot = 21431.8237 EPtot = -216642.7232 238c238 < BOND = 5873.9565 ANGLE = 13591.0959 DIHED = 16992.2644 > BOND = 7308.2633 ANGLE = 19079.0379 DIHED = 17772.3016 239c239 < 1-4 NB = 5593.2471 1-4 EEL = 1554.6371 VDWAALS = -13383.2300 > 1-4 NB = 6002.5600 1-4 EEL = -8028.5263 VDWAALS = -10610.0021 240c240 < EELEC = -11316.0829 EGB = -105491.6714 RESTRAINT = 55.9404 > EELEC = -35888.6117 EGB = -212337.6411 RESTRAINT = 59.8953 241c241 < EAMBER (non-restraint) = -86585.7833 > EAMBER (non-restraint) = -216702.6184 243c243 < NSTEP = 25 TIME(PS) = 200.050 TEMP(K) = 309.32 PRESS = 0. > NSTEP = 25 TIME(PS) = 200.050 TEMP(K) = 339.82 PRESS = 0. 244c244 < Etot = -66965.7717 EKtot = 19609.4319 EPtot = -86575.2036 > Etot = -196781.7161 EKtot = 21542.3801 EPtot = -218324.0961 245c245 < BOND = 5899.5456 ANGLE = 13565.3722 DIHED = 16981.2749 > BOND = 7499.0574 ANGLE = 18904.6575 DIHED = 17787.1905 246c246 < 1-4 NB = 5589.1116 1-4 EEL = 1519.4521 VDWAALS = -13392.6889 > 1-4 NB = 5958.7509 1-4 EEL = -8119.2893 VDWAALS = -10260.1096 247c247 < EELEC = -11281.5852 EGB = -105513.9857 RESTRAINT = 58.2998 > EELEC = -37231.3384 EGB = -212925.6436 RESTRAINT = 62.6285 248c248 < EAMBER (non-restraint) = -86633.5034 > EAMBER (non-restraint) = -218386.7247 251c251 < NSTEP = 25 TIME(PS) = 200.050 TEMP(K) = 310.06 PRESS = 0. > NSTEP = 25 TIME(PS) = 200.050 TEMP(K) = 333.17 PRESS = 0. 252c252 < Etot = -66965.2588 EKtot = 19656.3397 EPtot = -86621.5984 > Etot = -182024.8558 EKtot = 21121.2314 EPtot = -203146.0872 253c253 < BOND = 5807.4298 ANGLE = 13603.5692 DIHED = 16968.0807 > BOND = 7064.1759 ANGLE = 16382.5592 DIHED = 17399.0543 254c254 < 1-4 NB = 5605.0410 1-4 EEL = 1632.8585 VDWAALS = -13370.0904 > 1-4 NB = 5795.2734 1-4 EEL = -4286.2296 VDWAALS = -12466.0126 255c255 < EELEC = -11455.5811 EGB = -105442.7770 RESTRAINT = 29.8708 > EELEC = -23371.1492 EGB = -209695.0330 RESTRAINT = 31.2743 256c256 < EAMBER (non-restraint) = -86651.4692 > EAMBER (non-restraint) = -203177.3615 259c259 < NSTEP = 25 TIME(PS) = 200.050 TEMP(K) = 0.99 PRESS = 0. > NSTEP = 25 TIME(PS) = 200.050 TEMP(K) = 8.51 PRESS = 0. 260c260 < Etot = 3.4246 EKtot = 62.6283 EPtot = 65.3235 > Etot = 8636.0750 EKtot = 539.7361 EPtot = 9105.8366 261c261 < BOND = 85.4878 ANGLE = 68.8666 DIHED = 23.7592 > BOND = 735.2152 ANGLE = 1683.1809 DIHED = 309.3675 262c262 < 1-4 NB = 15.8745 1-4 EEL = 57.6151 VDWAALS = 12.1163 > 1-4 NB = 104.5707 1-4 EEL = 2839.4712 VDWAALS = 938.8586 263c263 < EELEC = 84.3340 EGB = 52.9388 RESTRAINT = 17.3247 > EELEC = 7918.7528 EGB = 1709.4097 RESTRAINT = 18.5713 264c264 < EAMBER (non-restraint) = 47.9988 > EAMBER (non-restraint) = 9087.2653 ### Maximum absolute error in matching lines = 1.32e+05 at line 248 field 4 ### Maximum relative error in matching lines = 2.52e+03 at line 260 field 3 --------------------------------------- possible FAILURE: check mdout.gb.amd1.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/amd/rna_gb 64c64 < NSTEP = 1 TIME(PS) = 130.001 TEMP(K) = 309.88 PRESS = 0. > NSTEP = 1 TIME(PS) = 130.001 TEMP(K) = 310.94 PRESS = 0. 65c65 < Etot = -3508.6217 EKtot = 521.5823 EPtot = -4030.2041 > Etot = -3561.9290 EKtot = 523.3613 EPtot = -4085.2903 68c68 < EELEC = 2159.3372 EGB = -4683.2630 RESTRAINT = 0. > EELEC = 2159.3372 EGB = -7888.0307 RESTRAINT = 0. 69c69 < EAMD_BOOST = 77.7944 > EAMD_BOOST = 3227.4759 71c71 < NSTEP = 2 TIME(PS) = 130.002 TEMP(K) = 305.68 PRESS = 0. > NSTEP = 2 TIME(PS) = 130.002 TEMP(K) = 310.91 PRESS = 0. 72c72 < Etot = -3508.9573 EKtot = 514.5034 EPtot = -4023.4607 > Etot = -3561.9273 EKtot = 523.3150 EPtot = -4085.2424 73c73 < BOND = 181.8005 ANGLE = 330.6793 DIHED = 420.0608 > BOND = 184.7899 ANGLE = 334.2888 DIHED = 420.4495 74c74 < 1-4 NB = 164.1129 1-4 EEL = -2298.7305 VDWAALS = -355.7185 > 1-4 NB = 164.2309 1-4 EEL = -2298.7275 VDWAALS = -355.6779 75c75 < EELEC = 2161.0646 EGB = -4683.4995 RESTRAINT = 0. > EELEC = 2161.0607 EGB = -7888.1458 RESTRAINT = 0. 76c76 < EAMD_BOOST = 56.7697 > EAMD_BOOST = 3192.4890 78c78 < NSTEP = 3 TIME(PS) = 130.003 TEMP(K) = 294.80 PRESS = 0. > NSTEP = 3 TIME(PS) = 130.003 TEMP(K) = 310.86 PRESS = 0. 79c79 < Etot = -3510.0325 EKtot = 496.1887 EPtot = -4006.2212 > Etot = -3561.9258 EKtot = 523.2202 EPtot = -4085.1460 80c80 < BOND = 202.7631 ANGLE = 355.4520 DIHED = 423.4617 > BOND = 213.3249 ANGLE = 367.9514 DIHED = 424.7715 81c81 < 1-4 NB = 165.1131 1-4 EEL = -2300.4211 VDWAALS = -355.0426 > 1-4 NB = 165.5343 1-4 EEL = -2300.4471 VDWAALS = -354.8928 82c82 < EELEC = 2163.0564 EGB = -4683.9454 RESTRAINT = 0. > EELEC = 2163.0823 EGB = -7888.6987 RESTRAINT = 0. 83c83 < EAMD_BOOST = 23.3415 > EAMD_BOOST = 3124.2282 85c85 < NSTEP = 4 TIME(PS) = 130.004 TEMP(K) = 269.93 PRESS = 0. > NSTEP = 4 TIME(PS) = 130.004 TEMP(K) = 310.77 PRESS = 0. 86c86 < Etot = -3512.1952 EKtot = 454.3395 EPtot = -3966.5347 > Etot = -3561.9245 EKtot = 523.0708 EPtot = -4084.9953 87c87 < BOND = 228.0448 ANGLE = 386.6145 DIHED = 428.1828 > BOND = 255.4927 ANGLE = 418.4871 DIHED = 431.3865 88c88 < 1-4 NB = 166.2535 1-4 EEL = -2302.2289 VDWAALS = -354.1764 > 1-4 NB = 167.3497 1-4 EEL = -2302.4020 VDWAALS = -353.7629 89c89 < EELEC = 2165.2327 EGB = -4684.6244 RESTRAINT = 0. > EELEC = 2165.4079 EGB = -7889.6752 RESTRAINT = 0. 90c90 < EAMD_BOOST = 0.1666 > EAMD_BOOST = 3022.7209 92c92 < NSTEP = 5 TIME(PS) = 130.005 TEMP(K) = 246.52 PRESS = 0. > NSTEP = 5 TIME(PS) = 130.005 TEMP(K) = 310.64 PRESS = 0. 93c93 < Etot = -3509.8849 EKtot = 414.9273 EPtot = -3924.8122 > Etot = -3561.9235 EKtot = 522.8567 EPtot = -4084.7802 94c94 < BOND = 243.1697 ANGLE = 407.8037 DIHED = 432.7393 > BOND = 311.3112 ANGLE = 485.8197 DIHED = 440.2202 95c95 < 1-4 NB = 166.9941 1-4 EEL = -2303.8764 VDWAALS = -353.3703 > 1-4 NB = 169.7097 1-4 EEL = -2304.5880 VDWAALS = -352.2612 96c96 < EELEC = 2167.3472 EGB = -4685.6195 RESTRAINT = 0. > EELEC = 2168.0402 EGB = -7891.0642 RESTRAINT = 0. 97c97 < EAMD_BOOST = 0. > EAMD_BOOST = 2888.0323 99c99 < NSTEP = 6 TIME(PS) = 130.006 TEMP(K) = 241.24 PRESS = 0. > NSTEP = 6 TIME(PS) = 130.006 TEMP(K) = 310.47 PRESS = 0. 100c100 < Etot = -3509.9510 EKtot = 406.0389 EPtot = -3915.9899 > Etot = -3561.9227 EKtot = 522.5622 EPtot = -4084.4849 101c101 < BOND = 243.1415 ANGLE = 412.8435 DIHED = 436.5180 > BOND = 380.7907 ANGLE = 569.8365 DIHED = 451.1937 102c102 < 1-4 NB = 167.1405 1-4 EEL = -2305.2008 VDWAALS = -352.7788 > 1-4 NB = 172.6580 1-4 EEL = -2307.0012 VDWAALS = -350.3536 103c103 < EELEC = 2169.2662 EGB = -4686.9201 RESTRAINT = 0. > EELEC = 2170.9791 EGB = -7892.8684 RESTRAINT = 0. 104c104 < EAMD_BOOST = 0. > EAMD_BOOST = 2720.2803 106c106 < NSTEP = 7 TIME(PS) = 130.007 TEMP(K) = 254.66 PRESS = 0. > NSTEP = 7 TIME(PS) = 130.007 TEMP(K) = 310.23 PRESS = 0. 107c107 < Etot = -3510.5994 EKtot = 428.6291 EPtot = -3939.2285 > Etot = -3561.9225 EKtot = 522.1620 EPtot = -4084.0846 108c108 < BOND = 229.1882 ANGLE = 401.8300 DIHED = 439.2088 > BOND = 463.9306 ANGLE = 670.3817 DIHED = 464.2256 109c109 < 1-4 NB = 166.6987 1-4 EEL = -2306.1480 VDWAALS = -352.4716 > 1-4 NB = 176.2516 1-4 EEL = -2309.6373 VDWAALS = -347.9987 110c110 < EELEC = 2170.9818 EGB = -4688.5164 RESTRAINT = 0. > EELEC = 2174.2216 EGB = -7895.0791 RESTRAINT = 0. 111c111 < EAMD_BOOST = 0. > EAMD_BOOST = 2519.6195 113c113 < NSTEP = 8 TIME(PS) = 130.008 TEMP(K) = 277.02 PRESS = 0. > NSTEP = 8 TIME(PS) = 130.008 TEMP(K) = 309.90 PRESS = 0. 114c114 < Etot = -3514.8220 EKtot = 466.2597 EPtot = -3981.0818 > Etot = -3561.9235 EKtot = 521.6154 EPtot = -4083.5389 115c115 < BOND = 206.7407 ANGLE = 379.3724 DIHED = 440.6618 > BOND = 560.7129 ANGLE = 787.2457 DIHED = 479.2334 116c116 < 1-4 NB = 165.8160 1-4 EEL = -2306.7563 VDWAALS = -352.4312 > 1-4 NB = 180.5633 1-4 EEL = -2312.4921 VDWAALS = -345.1476 117c117 < EELEC = 2172.5872 EGB = -4690.4155 RESTRAINT = 0. > EELEC = 2177.7624 EGB = -7897.6781 RESTRAINT = 0. 118c118 < EAMD_BOOST = 3.3430 > EAMD_BOOST = 2286.2613 120c120 < NSTEP = 9 TIME(PS) = 130.009 TEMP(K) = 291.91 PRESS = 0. > NSTEP = 9 TIME(PS) = 130.009 TEMP(K) = 309.45 PRESS = 0. 121c121 < Etot = -3513.4379 EKtot = 491.3266 EPtot = -4004.7646 > Etot = -3561.9270 EKtot = 520.8531 EPtot = -4082.7802 122c122 < BOND = 187.2529 ANGLE = 357.9656 DIHED = 441.6227 > BOND = 671.0920 ANGLE = 920.1483 DIHED = 496.1346 123c123 < 1-4 NB = 164.9122 1-4 EEL = -2307.2360 VDWAALS = -352.4643 > 1-4 NB = 185.6855 1-4 EEL = -2315.5610 VDWAALS = -341.7441 124c124 < EELEC = 2174.3046 EGB = -4692.5783 RESTRAINT = 0. > EELEC = 2181.5942 EGB = -7900.6532 RESTRAINT = 0. 125c125 < EAMD_BOOST = 21.4559 > EAMD_BOOST = 2020.5234 127c127 < NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 296.98 PRESS = 0. > NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 308.80 PRESS = 0. 128c128 < Etot = -3512.9640 EKtot = 499.8637 EPtot = -4012.8277 > Etot = -3561.9369 EKtot = 519.7488 EPtot = -4081.6857 129c129 < BOND = 178.4842 ANGLE = 346.8608 DIHED = 442.8819 > BOND = 794.9745 ANGLE = 1068.7115 DIHED = 514.8461 130c130 < 1-4 NB = 164.3010 1-4 EEL = -2307.7571 VDWAALS = -352.4028 > 1-4 NB = 191.7349 1-4 EEL = -2318.8394 VDWAALS = -337.7247 131c131 < EELEC = 2176.2906 EGB = -4694.9627 RESTRAINT = 0. > EELEC = 2185.7073 EGB = -7903.9987 RESTRAINT = 0. 132c132 < EAMD_BOOST = 33.4765 > EAMD_BOOST = 1722.9027 135c135 < NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 278.86 PRESS = 0. > NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 310.30 PRESS = 0. 136c136 < Etot = -3511.1466 EKtot = 469.3659 EPtot = -3980.5125 > Etot = -3561.9263 EKtot = 522.2766 EPtot = -4084.2028 137c137 < BOND = 207.0450 ANGLE = 369.6966 DIHED = 432.3826 > BOND = 400.6284 ANGLE = 594.0414 DIHED = 454.0949 138c138 < 1-4 NB = 165.4759 1-4 EEL = -2303.5602 VDWAALS = -353.6995 > 1-4 NB = 173.7134 1-4 EEL = -2306.6942 VDWAALS = -349.5702 139c139 < EELEC = 2167.9468 EGB = -4687.4344 RESTRAINT = 0. > EELEC = 2170.7193 EGB = -7893.5892 RESTRAINT = 0. 140c140 < EAMD_BOOST = 21.6348 > EAMD_BOOST = 2672.4533 143c143 < NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 23.59 PRESS = 0. > NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 0.68 PRESS = 0. 144c144 < Etot = 1.9721 EKtot = 39.7047 EPtot = 39.7151 > Etot = 0.0041 EKtot = 1.1428 EPtot = 1.1405 145c145 < BOND = 26.0476 ANGLE = 31.3536 DIHED = 8.7755 > BOND = 205.5845 ANGLE = 247.5822 DIHED = 31.8888 146c146 < 1-4 NB = 1.2337 1-4 EEL = 3.5445 VDWAALS = 1.3905 > 1-4 NB = 9.1758 1-4 EEL = 6.9505 VDWAALS = 5.9817 147c147 < EELEC = 5.4374 EGB = 3.8692 RESTRAINT = 0. > EELEC = 8.4935 EGB = 5.3278 RESTRAINT = 0. 148c148 < EAMD_BOOST = 25.9446 > EAMD_BOOST = 495.2977 ### Maximum absolute error in matching lines = 3.20e+03 at line 68 field 6 ### Maximum relative error in matching lines = 1.81e+04 at line 90 field 3 --------------------------------------- possible FAILURE: check mdout.gb.amd2.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/amd/rna_gb 64c64 < NSTEP = 1 TIME(PS) = 130.001 TEMP(K) = 308.03 PRESS = 0. > NSTEP = 1 TIME(PS) = 130.001 TEMP(K) = 308.49 PRESS = 0. 65c65 < Etot = -3529.7323 EKtot = 518.4620 EPtot = -4048.1943 > Etot = -6733.7246 EKtot = 519.2374 EPtot = -7252.9620 68c68 < EELEC = 2159.3372 EGB = -4683.2630 RESTRAINT = 0. > EELEC = 2159.3372 EGB = -7888.0307 RESTRAINT = 0. 71c71 < NSTEP = 2 TIME(PS) = 130.002 TEMP(K) = 306.54 PRESS = 0. > NSTEP = 2 TIME(PS) = 130.002 TEMP(K) = 308.55 PRESS = 0. 72c72 < Etot = -3529.6912 EKtot = 515.9603 EPtot = -4045.6515 > Etot = -6734.3157 EKtot = 519.3368 EPtot = -7253.6526 73c73 < BOND = 171.3803 ANGLE = 318.0918 DIHED = 420.4304 > BOND = 171.4035 ANGLE = 318.6012 DIHED = 420.3931 74c74 < 1-4 NB = 163.7033 1-4 EEL = -2298.7541 VDWAALS = -355.8787 > 1-4 NB = 163.7998 1-4 EEL = -2301.0241 VDWAALS = -355.7783 75c75 < EELEC = 2161.1978 EGB = -4683.7372 RESTRAINT = 0. > EELEC = 2159.4887 EGB = -7888.4876 RESTRAINT = 0. 76c76 < EAMD_BOOST = 57.9150 > EAMD_BOOST = 57.9512 78c78 < NSTEP = 3 TIME(PS) = 130.003 TEMP(K) = 305.01 PRESS = 0. > NSTEP = 3 TIME(PS) = 130.003 TEMP(K) = 309.16 PRESS = 0. 79c79 < Etot = -3529.6417 EKtot = 513.3775 EPtot = -4043.0192 > Etot = -6736.8976 EKtot = 520.3645 EPtot = -7257.2621 80c80 < BOND = 172.5250 ANGLE = 319.3420 DIHED = 424.7400 > BOND = 172.6621 ANGLE = 321.1660 DIHED = 424.6193 81c81 < 1-4 NB = 163.8900 1-4 EEL = -2300.4160 VDWAALS = -355.5327 > 1-4 NB = 164.1917 1-4 EEL = -2307.1288 VDWAALS = -355.2237 82c82 < EELEC = 2163.3853 EGB = -4684.6857 RESTRAINT = 0. > EELEC = 2158.3659 EGB = -7889.7644 RESTRAINT = 0. 83c83 < EAMD_BOOST = 53.7329 > EAMD_BOOST = 53.8498 85c85 < NSTEP = 4 TIME(PS) = 130.004 TEMP(K) = 303.88 PRESS = 0. > NSTEP = 4 TIME(PS) = 130.004 TEMP(K) = 310.40 PRESS = 0. 86c86 < Etot = -3529.6084 EKtot = 511.4797 EPtot = -4041.0882 > Etot = -6741.4291 EKtot = 522.4540 EPtot = -7263.8831 87c87 < BOND = 172.8015 ANGLE = 321.0505 DIHED = 431.3653 > BOND = 173.2297 ANGLE = 325.2917 DIHED = 431.1096 88c88 < 1-4 NB = 163.9472 1-4 EEL = -2302.1175 VDWAALS = -355.1442 > 1-4 NB = 164.5666 1-4 EEL = -2315.2585 VDWAALS = -354.4888 89c89 < EELEC = 2165.8042 EGB = -4686.1284 RESTRAINT = 0. > EELEC = 2155.9770 EGB = -7891.8896 RESTRAINT = 0. 90c90 < EAMD_BOOST = 47.3332 > EAMD_BOOST = 47.5794 92c92 < NSTEP = 5 TIME(PS) = 130.005 TEMP(K) = 303.47 PRESS = 0. > NSTEP = 5 TIME(PS) = 130.005 TEMP(K) = 312.25 PRESS = 0. 93c93 < Etot = -3529.6144 EKtot = 510.7785 EPtot = -4040.3929 > Etot = -6747.8873 EKtot = 525.5577 EPtot = -7273.4450 94c94 < BOND = 171.9863 ANGLE = 322.9026 DIHED = 440.2238 > BOND = 172.9634 ANGLE = 330.8469 DIHED = 439.7809 95c95 < 1-4 NB = 163.8637 1-4 EEL = -2303.7646 VDWAALS = -354.7696 > 1-4 NB = 164.9062 1-4 EEL = -2325.0551 VDWAALS = -353.5875 96c96 < EELEC = 2168.3886 EGB = -4688.0732 RESTRAINT = 0. > EELEC = 2152.3466 EGB = -7894.9176 RESTRAINT = 0. 97c97 < EAMD_BOOST = 38.8495 > EAMD_BOOST = 39.2711 99c99 < NSTEP = 6 TIME(PS) = 130.006 TEMP(K) = 303.72 PRESS = 0. > NSTEP = 6 TIME(PS) = 130.006 TEMP(K) = 314.44 PRESS = 0. 100c100 < Etot = -3529.6709 EKtot = 511.2063 EPtot = -4040.8773 > Etot = -6756.2525 EKtot = 529.2563 EPtot = -7285.5088 101c101 < BOND = 170.2473 ANGLE = 324.6834 DIHED = 451.1791 > BOND = 172.0920 ANGLE = 337.6017 DIHED = 450.5029 102c102 < 1-4 NB = 163.6469 1-4 EEL = -2305.3054 VDWAALS = -354.4639 > 1-4 NB = 165.1992 1-4 EEL = -2336.1430 VDWAALS = -352.5350 103c103 < EELEC = 2171.1185 EGB = -4690.5146 RESTRAINT = 0. > EELEC = 2147.5261 EGB = -7898.9136 RESTRAINT = 0. 104c104 < EAMD_BOOST = 28.5316 > EAMD_BOOST = 29.1609 106c106 < NSTEP = 7 TIME(PS) = 130.007 TEMP(K) = 304.16 PRESS = 0. > NSTEP = 7 TIME(PS) = 130.007 TEMP(K) = 316.46 PRESS = 0. 107c107 < Etot = -3529.7940 EKtot = 511.9401 EPtot = -4041.7340 > Etot = -6766.5095 EKtot = 532.6514 EPtot = -7299.1610 108c108 < BOND = 168.0853 ANGLE = 326.3750 DIHED = 463.9968 > BOND = 171.1594 ANGLE = 345.3016 DIHED = 463.0573 109c109 < 1-4 NB = 163.3208 1-4 EEL = -2306.7403 VDWAALS = -354.2627 > 1-4 NB = 165.4429 1-4 EEL = -2348.1628 VDWAALS = -351.3497 110c110 < EELEC = 2174.0181 EGB = -4693.4299 RESTRAINT = 0. > EELEC = 2141.5908 EGB = -7903.9303 RESTRAINT = 0. 111c111 < EAMD_BOOST = 16.9028 > EAMD_BOOST = 17.7299 113c113 < NSTEP = 8 TIME(PS) = 130.008 TEMP(K) = 303.60 PRESS = 0. > NSTEP = 8 TIME(PS) = 130.008 TEMP(K) = 317.28 PRESS = 0. 114c114 < Etot = -3530.1431 EKtot = 511.0070 EPtot = -4041.1501 > Etot = -6778.7892 EKtot = 534.0368 EPtot = -7312.8260 115c115 < BOND = 166.1223 ANGLE = 328.1233 DIHED = 478.2335 > BOND = 170.8262 ANGLE = 353.6787 DIHED = 477.0403 116c116 < 1-4 NB = 162.9227 1-4 EEL = -2308.1202 VDWAALS = -354.1698 > 1-4 NB = 165.6441 1-4 EEL = -2360.7951 VDWAALS = -350.0523 117c117 < EELEC = 2177.1333 EGB = -4696.7685 RESTRAINT = 0. > EELEC = 2134.6250 EGB = -7910.0226 RESTRAINT = 0. 118c118 < EAMD_BOOST = 5.3733 > EAMD_BOOST = 6.2298 120c120 < NSTEP = 9 TIME(PS) = 130.009 TEMP(K) = 299.07 PRESS = 0. > NSTEP = 9 TIME(PS) = 130.009 TEMP(K) = 313.92 PRESS = 0. 121c121 < Etot = -3530.0848 EKtot = 503.3793 EPtot = -4033.4640 > Etot = -6793.3058 EKtot = 528.3745 EPtot = -7321.6803 122c122 < BOND = 164.8378 ANGLE = 330.0712 DIHED = 492.7523 > BOND = 171.6249 ANGLE = 362.3923 DIHED = 491.4503 123c123 < 1-4 NB = 162.4951 1-4 EEL = -2309.5318 VDWAALS = -354.1549 > 1-4 NB = 165.8182 1-4 EEL = -2373.7682 VDWAALS = -348.6624 124c124 < EELEC = 2180.4731 EGB = -4700.4070 RESTRAINT = 0. > EELEC = 2126.6842 EGB = -7917.2196 RESTRAINT = 0. 127c127 < NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 293.18 PRESS = 0. > NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 308.98 PRESS = 0. 128c128 < Etot = -3530.0191 EKtot = 493.4728 EPtot = -4023.4919 > Etot = -6809.0035 EKtot = 520.0615 EPtot = -7329.0650 129c129 < BOND = 164.3751 ANGLE = 331.9640 DIHED = 503.4174 > BOND = 173.7740 ANGLE = 370.7951 DIHED = 502.0957 130c130 < 1-4 NB = 162.0759 1-4 EEL = -2311.0648 VDWAALS = -354.1548 > 1-4 NB = 165.9871 1-4 EEL = -2386.8269 VDWAALS = -347.1915 131c131 < EELEC = 2183.8382 EGB = -4703.9430 RESTRAINT = 0. > EELEC = 2117.6688 EGB = -7925.3672 RESTRAINT = 0. 135c135 < NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 303.07 PRESS = 0. > NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 311.99 PRESS = 0. 136c136 < Etot = -3529.8000 EKtot = 510.1063 EPtot = -4039.9063 > Etot = -6759.8115 EKtot = 525.1331 EPtot = -7284.9446 137c137 < BOND = 169.2226 ANGLE = 324.0148 DIHED = 452.4826 > BOND = 171.9600 ANGLE = 338.3219 DIHED = 451.8537 138c138 < 1-4 NB = 163.3282 1-4 EEL = -2304.3062 VDWAALS = -354.8670 > 1-4 NB = 164.8972 1-4 EEL = -2335.1410 VDWAALS = -352.5008 139c139 < EELEC = 2170.4694 EGB = -4691.0950 RESTRAINT = 0. > EELEC = 2145.3610 EGB = -7900.8543 RESTRAINT = 0. 140c140 < EAMD_BOOST = 30.8442 > EAMD_BOOST = 31.1576 143c143 < NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 3.96 PRESS = 0. > NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 3.19 PRESS = 0. 144c144 < Etot = 0.1940 EKtot = 6.6666 EPtot = 6.5558 > Etot = 25.0901 EKtot = 5.3617 EPtot = 27.6046 145c145 < BOND = 3.0183 ANGLE = 4.8123 DIHED = 29.2613 > BOND = 1.1471 ANGLE = 18.0543 DIHED = 28.7658 146c146 < 1-4 NB = 0.6052 1-4 EEL = 4.4196 VDWAALS = 0.7210 > 1-4 NB = 0.8359 1-4 EEL = 29.7890 VDWAALS = 2.9456 147c147 < EELEC = 7.8892 EGB = 6.9290 RESTRAINT = 0. > EELEC = 14.0549 EGB = 12.3368 RESTRAINT = 0. 148c148 < EAMD_BOOST = 22.7653 > EAMD_BOOST = 22.6633 ### Maximum absolute error in matching lines = 3.28e+03 at line 128 field 3 ### Maximum relative error in matching lines = 1.28e+02 at line 144 field 3 --------------------------------------- possible FAILURE: check mdout.gb.amd3.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/amd/rna_gb 64c64 < NSTEP = 1 TIME(PS) = 130.001 TEMP(K) = 309.39 PRESS = 0. > NSTEP = 1 TIME(PS) = 130.001 TEMP(K) = 310.94 PRESS = 0. 65c65 < Etot = -3492.7618 EKtot = 520.7469 EPtot = -4013.5087 > Etot = -3561.8465 EKtot = 523.3614 EPtot = -4085.2079 68c68 < EELEC = 2159.3372 EGB = -4683.2630 RESTRAINT = 0. > EELEC = 2159.3372 EGB = -7888.0307 RESTRAINT = 0. 69c69 < EAMD_BOOST = 94.4898 > EAMD_BOOST = 3227.5583 71c71 < NSTEP = 2 TIME(PS) = 130.002 TEMP(K) = 303.97 PRESS = 0. > NSTEP = 2 TIME(PS) = 130.002 TEMP(K) = 310.91 PRESS = 0. 72c72 < Etot = -3493.1434 EKtot = 511.6352 EPtot = -4004.7785 > Etot = -3561.8447 EKtot = 523.3163 EPtot = -4085.1610 73c73 < BOND = 179.9068 ANGLE = 328.4007 DIHED = 420.4429 > BOND = 184.7892 ANGLE = 334.2881 DIHED = 420.4519 74c74 < 1-4 NB = 164.0394 1-4 EEL = -2298.7343 VDWAALS = -355.7507 > 1-4 NB = 164.2309 1-4 EEL = -2298.7276 VDWAALS = -355.6779 75c75 < EELEC = 2161.1097 EGB = -4683.5693 RESTRAINT = 0. > EELEC = 2161.0608 EGB = -7888.1460 RESTRAINT = 0. 76c76 < EAMD_BOOST = 79.3763 > EAMD_BOOST = 3192.5696 78c78 < NSTEP = 3 TIME(PS) = 130.003 TEMP(K) = 291.40 PRESS = 0. > NSTEP = 3 TIME(PS) = 130.003 TEMP(K) = 310.86 PRESS = 0. 79c79 < Etot = -3493.9417 EKtot = 490.4703 EPtot = -3984.4120 > Etot = -3561.8432 EKtot = 523.2244 EPtot = -4085.0676 80c80 < BOND = 196.2890 ANGLE = 347.7788 DIHED = 424.7499 > BOND = 213.3227 ANGLE = 367.9489 DIHED = 424.7790 81c81 < 1-4 NB = 164.8569 1-4 EEL = -2300.4122 VDWAALS = -355.1557 > 1-4 NB = 165.5343 1-4 EEL = -2300.4474 VDWAALS = -354.8928 82c82 < EELEC = 2163.1847 EGB = -4684.1839 RESTRAINT = 0. > EELEC = 2163.0825 EGB = -7888.6993 RESTRAINT = 0. 83c83 < EAMD_BOOST = 58.4804 > EAMD_BOOST = 3124.3045 85c85 < NSTEP = 4 TIME(PS) = 130.004 TEMP(K) = 272.90 PRESS = 0. > NSTEP = 4 TIME(PS) = 130.004 TEMP(K) = 310.77 PRESS = 0. 86c86 < Etot = -3491.4307 EKtot = 459.3265 EPtot = -3950.7572 > Etot = -3561.8417 EKtot = 523.0802 EPtot = -4084.9219 87c87 < BOND = 212.6472 ANGLE = 368.5911 DIHED = 431.3210 > BOND = 255.4878 ANGLE = 418.4815 DIHED = 431.4026 88c88 < 1-4 NB = 165.6343 1-4 EEL = -2302.1537 VDWAALS = -354.4581 > 1-4 NB = 167.3496 1-4 EEL = -2302.4026 VDWAALS = -353.7629 89c89 < EELEC = 2165.4829 EGB = -4685.1977 RESTRAINT = 0. > EELEC = 2165.4084 EGB = -7889.6764 RESTRAINT = 0. 90c90 < EAMD_BOOST = 47.3758 > EAMD_BOOST = 3022.7901 92c92 < NSTEP = 5 TIME(PS) = 130.005 TEMP(K) = 261.66 PRESS = 0. > NSTEP = 5 TIME(PS) = 130.005 TEMP(K) = 310.65 PRESS = 0. 93c93 < Etot = -3491.2038 EKtot = 440.4088 EPtot = -3931.6126 > Etot = -3561.8405 EKtot = 522.8743 EPtot = -4084.7148 94c94 < BOND = 219.6003 ANGLE = 380.1750 DIHED = 440.0281 > BOND = 311.3019 ANGLE = 485.8091 DIHED = 440.2494 95c95 < 1-4 NB = 166.0153 1-4 EEL = -2303.7487 VDWAALS = -353.8499 > 1-4 NB = 169.7094 1-4 EEL = -2304.5890 VDWAALS = -352.2612 96c96 < EELEC = 2167.8686 EGB = -4686.7371 RESTRAINT = 0. > EELEC = 2168.0412 EGB = -7891.0664 RESTRAINT = 0. 97c97 < EAMD_BOOST = 39.0357 > EAMD_BOOST = 2888.0907 99c99 < NSTEP = 6 TIME(PS) = 130.006 TEMP(K) = 263.73 PRESS = 0. > NSTEP = 6 TIME(PS) = 130.006 TEMP(K) = 310.48 PRESS = 0. 100c100 < Etot = -3491.4352 EKtot = 443.8940 EPtot = -3935.3291 > Etot = -3561.8396 EKtot = 522.5920 EPtot = -4084.4315 101c101 < BOND = 215.7459 ANGLE = 380.3676 DIHED = 450.7247 > BOND = 380.7748 ANGLE = 569.8185 DIHED = 451.2419 102c102 < 1-4 NB = 165.9344 1-4 EEL = -2305.1062 VDWAALS = -353.4291 > 1-4 NB = 172.6575 1-4 EEL = -2307.0026 VDWAALS = -350.3536 103c103 < EELEC = 2170.2777 EGB = -4688.7983 RESTRAINT = 0. > EELEC = 2170.9806 EGB = -7892.8718 RESTRAINT = 0. 104c104 < EAMD_BOOST = 28.9543 > EAMD_BOOST = 2720.3231 106c106 < NSTEP = 7 TIME(PS) = 130.007 TEMP(K) = 277.05 PRESS = 0. > NSTEP = 7 TIME(PS) = 130.007 TEMP(K) = 310.26 PRESS = 0. 107c107 < Etot = -3492.0631 EKtot = 466.3158 EPtot = -3958.3788 > Etot = -3561.8392 EKtot = 522.2096 EPtot = -4084.0488 108c108 < BOND = 203.0957 ANGLE = 370.3912 DIHED = 463.2042 > BOND = 463.9055 ANGLE = 670.3534 DIHED = 464.3003 109c109 < 1-4 NB = 165.4331 1-4 EEL = -2306.2165 VDWAALS = -353.2427 > 1-4 NB = 176.2508 1-4 EEL = -2309.6392 VDWAALS = -347.9988 110c110 < EELEC = 2172.7334 EGB = -4691.3775 RESTRAINT = 0. > EELEC = 2174.2239 EGB = -7895.0839 RESTRAINT = 0. 111c111 < EAMD_BOOST = 17.6002 > EAMD_BOOST = 2519.6393 113c113 < NSTEP = 8 TIME(PS) = 130.008 TEMP(K) = 292.92 PRESS = 0. > NSTEP = 8 TIME(PS) = 130.008 TEMP(K) = 309.95 PRESS = 0. 114c114 < Etot = -3492.6593 EKtot = 493.0315 EPtot = -3985.6908 > Etot = -3561.8410 EKtot = 521.6861 EPtot = -4083.5271 115c115 < BOND = 186.2047 ANGLE = 354.3436 DIHED = 477.0963 > BOND = 560.6759 ANGLE = 787.2041 DIHED = 479.3443 116c116 < 1-4 NB = 164.6472 1-4 EEL = -2307.1485 VDWAALS = -353.2704 > 1-4 NB = 180.5620 1-4 EEL = -2312.4945 VDWAALS = -345.1477 117c117 < EELEC = 2175.3266 EGB = -4694.4600 RESTRAINT = 0. > EELEC = 2177.7657 EGB = -7897.6847 RESTRAINT = 0. 118c118 < EAMD_BOOST = 11.5696 > EAMD_BOOST = 2286.2478 120c120 < NSTEP = 9 TIME(PS) = 130.009 TEMP(K) = 298.87 PRESS = 0. > NSTEP = 9 TIME(PS) = 130.009 TEMP(K) = 309.50 PRESS = 0. 121c121 < Etot = -3492.4736 EKtot = 503.0470 EPtot = -3995.5207 > Etot = -3561.8435 EKtot = 520.9365 EPtot = -4082.7800 122c122 < BOND = 174.7482 ANGLE = 343.1092 DIHED = 491.8907 > BOND = 671.0412 ANGLE = 920.0914 DIHED = 496.2924 123c123 < 1-4 NB = 163.9619 1-4 EEL = -2308.0941 VDWAALS = -353.3243 > 1-4 NB = 185.6835 1-4 EEL = -2315.5639 VDWAALS = -341.7442 124c124 < EELEC = 2178.1767 EGB = -4697.8817 RESTRAINT = 0. > EELEC = 2181.5988 EGB = -7900.6618 RESTRAINT = 0. 125c125 < EAMD_BOOST = 11.8929 > EAMD_BOOST = 2020.4826 127c127 < NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 296.42 PRESS = 0. > NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 308.84 PRESS = 0. 128c128 < Etot = -3492.6689 EKtot = 498.9154 EPtot = -3991.5843 > Etot = -3561.8534 EKtot = 519.8321 EPtot = -4081.6855 129c129 < BOND = 172.3120 ANGLE = 340.9187 DIHED = 505.3928 > BOND = 794.9083 ANGLE = 1068.6371 DIHED = 515.0536 130c130 < 1-4 NB = 163.5368 1-4 EEL = -2309.1480 VDWAALS = -353.3049 > 1-4 NB = 191.7321 1-4 EEL = -2318.8428 VDWAALS = -337.7249 131c131 < EELEC = 2181.2341 EGB = -4701.4191 RESTRAINT = 0. > EELEC = 2185.7133 EGB = -7904.0094 RESTRAINT = 0. 132c132 < EAMD_BOOST = 8.8932 > EAMD_BOOST = 1722.8473 135c135 < NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 286.83 PRESS = 0. > NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 310.32 PRESS = 0. 136c136 < Etot = -3492.3781 EKtot = 482.7791 EPtot = -3975.1573 > Etot = -3561.8433 EKtot = 522.3113 EPtot = -4084.1546 137c137 < BOND = 193.0415 ANGLE = 353.1620 DIHED = 452.3338 > BOND = 400.6072 ANGLE = 594.0176 DIHED = 454.1603 138c138 < 1-4 NB = 164.7476 1-4 EEL = -2303.8009 VDWAALS = -354.1924 > 1-4 NB = 173.7126 1-4 EEL = -2306.6957 VDWAALS = -349.5703 139c139 < EELEC = 2169.4731 EGB = -4689.6888 RESTRAINT = 0. > EELEC = 2170.7212 EGB = -7893.5930 RESTRAINT = 0. 140c140 < EAMD_BOOST = 39.7668 > EAMD_BOOST = 2672.4853 143c143 < NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 15.98 PRESS = 0. > NSTEP = 10 TIME(PS) = 130.010 TEMP(K) = 0.66 PRESS = 0. 144c144 < Etot = 0.8133 EKtot = 26.9036 EPtot = 27.5475 > Etot = 0.0040 EKtot = 1.1123 EPtot = 1.1102 145c145 < BOND = 17.9935 ANGLE = 20.4153 DIHED = 29.3775 > BOND = 205.5626 ANGLE = 247.5576 DIHED = 31.9564 146c146 < 1-4 NB = 0.9301 1-4 EEL = 3.8548 VDWAALS = 1.0587 > 1-4 NB = 9.1749 1-4 EEL = 6.9517 VDWAALS = 5.9816 147c147 < EELEC = 7.0024 EGB = 6.0750 RESTRAINT = 0. > EELEC = 8.4954 EGB = 5.3314 RESTRAINT = 0. 148c148 < EAMD_BOOST = 28.4704 > EAMD_BOOST = 495.3467 ### Maximum absolute error in matching lines = 3.20e+03 at line 68 field 6 ### Maximum relative error in matching lines = 2.02e+02 at line 144 field 3 --------------------------------------- possible FAILURE: check mdout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/angle 90c90 < Etot = -2914.5006 EKtot = 0. EPtot = -2914.5006 > Etot = -11859.8917 EKtot = 0. EPtot = -11859.8917 93c93 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 4.1869 > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 4.1869 94c94 < EAMBER (non-restraint) = -2918.6875 > EAMBER (non-restraint) = -11864.0786 99c99 < Etot = -2914.5006 EKtot = 0. EPtot = -2914.5006 > Etot = -11859.8917 EKtot = 0. EPtot = -11859.8917 102c102 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 4.1869 > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 4.1869 103c103 < EAMBER (non-restraint) = -2918.6875 > EAMBER (non-restraint) = -11864.0786 107c107 < NSTEP = 2 TIME(PS) = 0.002 TEMP(K) = 10.59 PRESS = 0. > NSTEP = 2 TIME(PS) = 0.002 TEMP(K) = 10.39 PRESS = 0. 108c108 < Etot = -2911.9880 EKtot = 78.5736 EPtot = -2990.5615 > Etot = -11861.2841 EKtot = 77.0898 EPtot = -11938.3738 109c109 < BOND = 427.4500 ANGLE = 1399.6811 DIHED = 797.3892 > BOND = 427.3219 ANGLE = 1399.7900 DIHED = 797.3513 110c110 < 1-4 NB = 525.0621 1-4 EEL = 7881.4466 VDWAALS = -1153.1777 > 1-4 NB = 525.2070 1-4 EEL = 7878.3593 VDWAALS = -1153.0970 111c111 < EELEC = -384.8562 EGB = -12487.7275 RESTRAINT = 4.1707 > EELEC = -387.0202 EGB = -21430.4569 RESTRAINT = 4.1707 112c112 < EAMBER (non-restraint) = -2994.7323 > EAMBER (non-restraint) = -11942.5445 116c116 < NSTEP = 3 TIME(PS) = 0.003 TEMP(K) = 38.11 PRESS = 0. > NSTEP = 3 TIME(PS) = 0.003 TEMP(K) = 37.76 PRESS = 0. 117c117 < Etot = -2912.3497 EKtot = 282.8273 EPtot = -3195.1770 > Etot = -11875.9119 EKtot = 280.2858 EPtot = -12156.1976 118c118 < BOND = 381.3538 ANGLE = 1275.1917 DIHED = 789.3015 > BOND = 378.3672 ANGLE = 1275.6133 DIHED = 789.1481 119c119 < 1-4 NB = 519.7816 1-4 EEL = 7880.8391 VDWAALS = -1158.0515 > 1-4 NB = 520.3229 1-4 EEL = 7868.7210 VDWAALS = -1158.2211 120c120 < EELEC = -390.9093 EGB = -12496.8061 RESTRAINT = 4.1221 > EELEC = -402.0077 EGB = -21432.2633 RESTRAINT = 4.1219 121c121 < EAMBER (non-restraint) = -3199.2992 > EAMBER (non-restraint) = -12160.3195 125c125 < NSTEP = 4 TIME(PS) = 0.004 TEMP(K) = 73.74 PRESS = 0. > NSTEP = 4 TIME(PS) = 0.004 TEMP(K) = 73.99 PRESS = 0. 126c126 < Etot = -2913.4494 EKtot = 547.3441 EPtot = -3460.7935 > Etot = -11900.7372 EKtot = 549.1924 EPtot = -12449.9296 127c127 < BOND = 329.9829 ANGLE = 1106.7480 DIHED = 776.9473 > BOND = 319.2279 ANGLE = 1108.0071 DIHED = 776.6233 128c128 < 1-4 NB = 512.4382 1-4 EEL = 7879.8204 VDWAALS = -1164.4576 > 1-4 NB = 513.5159 1-4 EEL = 7853.9511 VDWAALS = -1165.2194 129c129 < EELEC = -398.3293 EGB = -12507.9873 RESTRAINT = 4.0438 > EELEC = -425.2974 EGB = -21434.7814 RESTRAINT = 4.0433 130c130 < EAMBER (non-restraint) = -3464.8373 > EAMBER (non-restraint) = -12453.9729 132c132 < NMR restraints: Bond = 0. Angle = 4.044 Torsion = 0. > NMR restraints: Bond = 0. Angle = 4.043 Torsion = 0. 134c134 < NSTEP = 5 TIME(PS) = 0.005 TEMP(K) = 108.43 PRESS = 0. > NSTEP = 5 TIME(PS) = 0.005 TEMP(K) = 109.86 PRESS = 0. 135c135 < Etot = -2914.4316 EKtot = 804.8112 EPtot = -3719.2428 > Etot = -11935.3308 EKtot = 815.4162 EPtot = -12750.7470 136c136 < BOND = 284.6842 ANGLE = 939.6086 DIHED = 761.7532 > BOND = 265.9519 ANGLE = 942.8846 DIHED = 761.2390 137c137 < 1-4 NB = 504.6077 1-4 EEL = 7878.4166 VDWAALS = -1170.8554 > 1-4 NB = 506.2373 1-4 EEL = 7835.5927 VDWAALS = -1172.8684 138c138 < EELEC = -404.2460 EGB = -12517.1510 RESTRAINT = 3.9392 > EELEC = -456.1466 EGB = -21437.5760 RESTRAINT = 3.9386 139c139 < EAMBER (non-restraint) = -3723.1820 > EAMBER (non-restraint) = -12754.6855 143c143 < NSTEP = 6 TIME(PS) = 0.006 TEMP(K) = 135.12 PRESS = 0. > NSTEP = 6 TIME(PS) = 0.006 TEMP(K) = 137.61 PRESS = 0. 144c144 < Etot = -2915.0747 EKtot = 1002.8889 EPtot = -3917.9636 > Etot = -11979.4860 EKtot = 1021.3916 EPtot = -13000.8776 145c145 < BOND = 246.7710 ANGLE = 815.8105 DIHED = 745.2915 > BOND = 227.5888 ANGLE = 823.1090 DIHED = 744.6138 146c146 < 1-4 NB = 497.6840 1-4 EEL = 7876.7626 VDWAALS = -1176.1608 > 1-4 NB = 499.7857 1-4 EEL = 7815.1717 VDWAALS = -1180.1678 147c147 < EELEC = -406.4782 EGB = -12521.4570 RESTRAINT = 3.8128 > EELEC = -493.9190 EGB = -21440.8720 RESTRAINT = 3.8121 148c148 < EAMBER (non-restraint) = -3921.7764 > EAMBER (non-restraint) = -13004.6897 150c150 < NMR restraints: Bond = 0. Angle = 3.813 Torsion = 0. > NMR restraints: Bond = 0. Angle = 3.812 Torsion = 0. 152c152 < NSTEP = 7 TIME(PS) = 0.007 TEMP(K) = 148.88 PRESS = 0. > NSTEP = 7 TIME(PS) = 0.007 TEMP(K) = 152.10 PRESS = 0. 153c153 < Etot = -2914.8228 EKtot = 1104.9962 EPtot = -4019.8191 > Etot = -12032.9492 EKtot = 1128.8886 EPtot = -13161.8378 154c154 < BOND = 221.9895 ANGLE = 762.5473 DIHED = 729.0364 > BOND = 211.2593 ANGLE = 776.3976 DIHED = 728.2609 155c155 < 1-4 NB = 492.6125 1-4 EEL = 7875.1454 VDWAALS = -1179.8276 > 1-4 NB = 495.0584 1-4 EEL = 7793.8599 VDWAALS = -1186.3440 156c156 < EELEC = -404.4085 EGB = -12520.5838 RESTRAINT = 3.6697 > EELEC = -538.3127 EGB = -21445.6863 RESTRAINT = 3.6691 157c157 < EAMBER (non-restraint) = -4023.4888 > EAMBER (non-restraint) = -13165.5069 159c159 < NMR restraints: Bond = 0. Angle = 3.670 Torsion = 0. > NMR restraints: Bond = 0. Angle = 3.669 Torsion = 0. 161c161 < NSTEP = 8 TIME(PS) = 0.008 TEMP(K) = 147.67 PRESS = 0. > NSTEP = 8 TIME(PS) = 0.008 TEMP(K) = 151.70 PRESS = 0. 162c162 < Etot = -2912.5463 EKtot = 1096.0389 EPtot = -4008.5852 > Etot = -12095.0650 EKtot = 1125.9661 EPtot = -13221.0311 163c163 < BOND = 221.8635 ANGLE = 785.7662 DIHED = 714.1916 > BOND = 222.4820 ANGLE = 808.6654 DIHED = 713.3959 164c164 < 1-4 NB = 489.8031 1-4 EEL = 7873.9450 VDWAALS = -1181.7790 > 1-4 NB = 492.4607 1-4 EEL = 7772.2936 VDWAALS = -1190.7589 165c165 < EELEC = -399.1755 EGB = -12516.7154 RESTRAINT = 3.5152 > EELEC = -589.4752 EGB = -21453.6094 RESTRAINT = 3.5149 166c166 < EAMBER (non-restraint) = -4012.1004 > EAMBER (non-restraint) = -13224.5460 170c170 < NSTEP = 9 TIME(PS) = 0.009 TEMP(K) = 133.96 PRESS = 0. > NSTEP = 9 TIME(PS) = 0.009 TEMP(K) = 139.13 PRESS = 0. 171c171 < Etot = -2908.1433 EKtot = 994.2973 EPtot = -3902.4405 > Etot = -12165.5798 EKtot = 1032.6115 EPtot = -13198.1913 172c172 < BOND = 248.4329 ANGLE = 870.2846 DIHED = 701.6055 > BOND = 257.8995 ANGLE = 904.3384 DIHED = 700.8426 173c173 < 1-4 NB = 489.1560 1-4 EEL = 7873.4662 VDWAALS = -1182.3425 > 1-4 NB = 491.9165 1-4 EEL = 7750.5806 VDWAALS = -1192.8996 174c174 < EELEC = -393.0953 EGB = -12513.3028 RESTRAINT = 3.3547 > EELEC = -647.8392 EGB = -21466.3848 RESTRAINT = 3.3548 175c175 < EAMBER (non-restraint) = -3905.7953 > EAMBER (non-restraint) = -13201.5461 179c179 < NSTEP = 10 TIME(PS) = 0.010 TEMP(K) = 114.45 PRESS = 0. > NSTEP = 10 TIME(PS) = 0.010 TEMP(K) = 120.71 PRESS = 0. 180c180 < Etot = -2903.1889 EKtot = 849.5026 EPtot = -3752.6915 > Etot = -12245.2184 EKtot = 895.9201 EPtot = -13141.1385 181c181 < BOND = 286.8589 ANGLE = 985.6687 DIHED = 691.7680 > BOND = 302.3208 ANGLE = 1032.5638 DIHED = 691.0372 182c182 < 1-4 NB = 490.1512 1-4 EEL = 7873.7767 VDWAALS = -1182.1563 > 1-4 NB = 492.9371 1-4 EEL = 7728.4992 VDWAALS = -1192.7517 183c183 < EELEC = -388.6303 EGB = -12513.3222 RESTRAINT = 3.1937 > EELEC = -713.7800 EGB = -21485.1593 RESTRAINT = 3.1944 184c184 < EAMBER (non-restraint) = -3755.8853 > EAMBER (non-restraint) = -13144.3329 188c188 < NSTEP = 11 TIME(PS) = 0.011 TEMP(K) = 96.93 PRESS = 0. > NSTEP = 11 TIME(PS) = 0.011 TEMP(K) = 103.92 PRESS = 0. 189c189 < Etot = -2899.3981 EKtot = 719.4476 EPtot = -3618.8457 > Etot = -12335.9014 EKtot = 771.3009 EPtot = -13107.2023 190c190 < BOND = 318.1996 ANGLE = 1095.6612 DIHED = 684.8514 > BOND = 337.4919 ANGLE = 1156.6915 DIHED = 684.0962 191c191 < 1-4 NB = 491.9839 1-4 EEL = 7874.6448 VDWAALS = -1181.9752 > 1-4 NB = 494.7354 1-4 EEL = 7705.8127 VDWAALS = -1191.6455 192c192 < EELEC = -387.3865 EGB = -12517.8623 RESTRAINT = 3.0374 > EELEC = -787.3441 EGB = -21510.0793 RESTRAINT = 3.0387 193c193 < EAMBER (non-restraint) = -3621.8831 > EAMBER (non-restraint) = -13110.2410 195c195 < NMR restraints: Bond = 0. Angle = 3.037 Torsion = 0. > NMR restraints: Bond = 0. Angle = 3.039 Torsion = 0. 197c197 < NSTEP = 12 TIME(PS) = 0.012 TEMP(K) = 86.86 PRESS = 0. > NSTEP = 12 TIME(PS) = 0.012 TEMP(K) = 94.42 PRESS = 0. 198c198 < Etot = -2897.1443 EKtot = 644.7059 EPtot = -3541.8502 > Etot = -12439.4332 EKtot = 700.7869 EPtot = -13140.2201 199c199 < BOND = 334.2577 ANGLE = 1168.4491 DIHED = 680.7715 > BOND = 353.8308 ANGLE = 1244.2765 DIHED = 679.9114 200c200 < 1-4 NB = 493.7437 1-4 EEL = 7875.6102 VDWAALS = -1182.4062 > 1-4 NB = 496.3889 1-4 EEL = 7682.5656 VDWAALS = -1191.5668 201c201 < EELEC = -389.5331 EGB = -12525.6337 RESTRAINT = 2.8907 > EELEC = -868.3783 EGB = -21540.1409 RESTRAINT = 2.8927 202c202 < EAMBER (non-restraint) = -3544.7408 > EAMBER (non-restraint) = -13143.1128 204c204 < NMR restraints: Bond = 0. Angle = 2.891 Torsion = 0. > NMR restraints: Bond = 0. Angle = 2.893 Torsion = 0. 206c206 < NSTEP = 13 TIME(PS) = 0.013 TEMP(K) = 86.35 PRESS = 0. > NSTEP = 13 TIME(PS) = 0.013 TEMP(K) = 94.58 PRESS = 0. 207c207 < Etot = -2895.9472 EKtot = 640.8794 EPtot = -3536.8266 > Etot = -12555.0882 EKtot = 701.9583 EPtot = -13257.0465 208c208 < BOND = 336.3569 ANGLE = 1185.1421 DIHED = 679.2602 > BOND = 353.0471 ANGLE = 1275.3268 DIHED = 678.2465 209c209 < 1-4 NB = 494.6255 1-4 EEL = 7876.1767 VDWAALS = -1183.6999 > 1-4 NB = 497.0450 1-4 EEL = 7659.2387 VDWAALS = -1192.1233 210c210 < EELEC = -393.8304 EGB = -12533.6153 RESTRAINT = 2.7575 > EELEC = -957.0292 EGB = -21573.5584 RESTRAINT = 2.7604 211c211 < EAMBER (non-restraint) = -3539.5841 > EAMBER (non-restraint) = -13259.8069 213c213 < NMR restraints: Bond = 0. Angle = 2.758 Torsion = 0. > NMR restraints: Bond = 0. Angle = 2.760 Torsion = 0. 215c215 < NSTEP = 14 TIME(PS) = 0.014 TEMP(K) = 94.75 PRESS = 0. > NSTEP = 14 TIME(PS) = 0.014 TEMP(K) = 103.59 PRESS = 0. 216c216 < Etot = -2895.6808 EKtot = 703.2640 EPtot = -3598.9448 > Etot = -12681.8842 EKtot = 768.8729 EPtot = -13450.7570 217c217 < BOND = 326.4534 ANGLE = 1144.3163 DIHED = 679.9494 > BOND = 342.3267 ANGLE = 1247.0223 DIHED = 678.8179 218c218 < 1-4 NB = 494.1326 1-4 EEL = 7876.0567 VDWAALS = -1185.7163 > 1-4 NB = 496.1361 1-4 EEL = 7636.6912 VDWAALS = -1191.6785 219c219 < EELEC = -398.2164 EGB = -12538.5617 RESTRAINT = 2.6410 > EELEC = -1054.0059 EGB = -21608.7119 RESTRAINT = 2.6449 220c220 < EAMBER (non-restraint) = -3601.5858 > EAMBER (non-restraint) = -13453.4019 222c222 < NMR restraints: Bond = 0. Angle = 2.641 Torsion = 0. > NMR restraints: Bond = 0. Angle = 2.645 Torsion = 0. 224c224 < NSTEP = 15 TIME(PS) = 0.015 TEMP(K) = 109.10 PRESS = 0. > NSTEP = 15 TIME(PS) = 0.015 TEMP(K) = 118.24 PRESS = 0. 225c225 < Etot = -2896.4140 EKtot = 809.7833 EPtot = -3706.1972 > Etot = -12821.5100 EKtot = 877.6211 EPtot = -13699.1311 226c226 < BOND = 307.2436 ANGLE = 1061.3869 DIHED = 682.4500 > BOND = 329.5311 ANGLE = 1173.6644 DIHED = 681.3432 227c227 < 1-4 NB = 492.2054 1-4 EEL = 7875.3563 VDWAALS = -1188.0542 > 1-4 NB = 493.5364 1-4 EEL = 7615.9163 VDWAALS = -1190.1609 228c228 < EELEC = -400.7139 EGB = -12538.6139 RESTRAINT = 2.5426 > EELEC = -1160.8668 EGB = -21644.6424 RESTRAINT = 2.5475 229c229 < EAMBER (non-restraint) = -3708.7398 > EAMBER (non-restraint) = -13701.6786 231c231 < NMR restraints: Bond = 0. Angle = 2.543 Torsion = 0. > NMR restraints: Bond = 0. Angle = 2.548 Torsion = 0. 233c233 < NSTEP = 16 TIME(PS) = 0.016 TEMP(K) = 124.44 PRESS = 0. > NSTEP = 16 TIME(PS) = 0.016 TEMP(K) = 133.79 PRESS = 0. 234c234 < Etot = -2897.4725 EKtot = 923.6351 EPtot = -3821.1076 > Etot = -12977.9192 EKtot = 992.9953 EPtot = -13970.9145 235c235 < BOND = 288.0629 ANGLE = 962.9205 DIHED = 686.3943 > BOND = 322.9470 ANGLE = 1081.5322 DIHED = 685.5438 236c236 < 1-4 NB = 489.2183 1-4 EEL = 7874.5797 VDWAALS = -1190.2364 > 1-4 NB = 489.5920 1-4 EEL = 7597.6943 VDWAALS = -1187.8134 237c237 < EELEC = -400.2784 EGB = -12534.2304 RESTRAINT = 2.4619 > EELEC = -1281.1830 EGB = -21681.6953 RESTRAINT = 2.4680 238c238 < EAMBER (non-restraint) = -3823.5695 > EAMBER (non-restraint) = -13973.3825 240c240 < NMR restraints: Bond = 0. Angle = 2.462 Torsion = 0. > NMR restraints: Bond = 0. Angle = 2.468 Torsion = 0. 242c242 < NSTEP = 17 TIME(PS) = 0.017 TEMP(K) = 135.49 PRESS = 0. > NSTEP = 17 TIME(PS) = 0.017 TEMP(K) = 145.34 PRESS = 0. 243c243 < Etot = -2897.6276 EKtot = 1005.6181 EPtot = -3903.2457 > Etot = -13160.2131 EKtot = 1078.7375 EPtot = -14238.9506 244c244 < BOND = 281.9954 ANGLE = 877.6584 DIHED = 691.4283 > BOND = 330.5667 ANGLE = 999.9768 DIHED = 691.1090 245c245 < 1-4 NB = 485.8349 1-4 EEL = 7874.4139 VDWAALS = -1191.8637 > 1-4 NB = 484.9997 1-4 EEL = 7582.2674 VDWAALS = -1183.8330 246c246 < EELEC = -397.2093 EGB = -12527.9000 RESTRAINT = 2.3965 > EELEC = -1423.5110 EGB = -21722.9303 RESTRAINT = 2.4040 247c247 < EAMBER (non-restraint) = -3905.6422 > EAMBER (non-restraint) = -14241.3546 249c249 < NMR restraints: Bond = 0. Angle = 2.396 Torsion = 0. > NMR restraints: Bond = 0. Angle = 2.404 Torsion = 0. 251c251 < NSTEP = 18 TIME(PS) = 0.018 TEMP(K) = 139.08 PRESS = 0. > NSTEP = 18 TIME(PS) = 0.018 TEMP(K) = 149.68 PRESS = 0. 252c252 < Etot = -2896.2762 EKtot = 1032.2823 EPtot = -3928.5585 > Etot = -13390.5485 EKtot = 1110.9658 EPtot = -14501.5143 253c253 < BOND = 294.8384 ANGLE = 827.4232 DIHED = 697.1671 > BOND = 355.5908 ANGLE = 951.9495 DIHED = 697.6493 254c254 < 1-4 NB = 482.7800 1-4 EEL = 7875.3996 VDWAALS = -1192.7326 > 1-4 NB = 480.5851 1-4 EEL = 7569.1572 VDWAALS = -1177.1394 255c255 < EELEC = -392.9493 EGB = -12522.8272 RESTRAINT = 2.3424 > EELEC = -1611.6639 EGB = -21769.9941 RESTRAINT = 2.3514 256c256 < EAMBER (non-restraint) = -3930.9008 > EAMBER (non-restraint) = -14503.8657 258c258 < NMR restraints: Bond = 0. Angle = 2.342 Torsion = 0. > NMR restraints: Bond = 0. Angle = 2.351 Torsion = 0. 260c260 < NSTEP = 19 TIME(PS) = 0.019 TEMP(K) = 135.35 PRESS = 0. > NSTEP = 19 TIME(PS) = 0.019 TEMP(K) = 146.56 PRESS = 0. 261c261 < Etot = -2893.8173 EKtot = 1004.5545 EPtot = -3898.3719 > Etot = -13732.7454 EKtot = 1087.7986 EPtot = -14820.5440 262c262 < BOND = 320.4144 ANGLE = 821.1598 DIHED = 703.1559 > BOND = 392.1440 ANGLE = 947.6184 DIHED = 704.6750 263c263 < 1-4 NB = 480.6240 1-4 EEL = 7877.6507 VDWAALS = -1192.9240 > 1-4 NB = 477.0777 1-4 EEL = 7557.2138 VDWAALS = -1167.2772 264c264 < EELEC = -389.3938 EGB = -12521.3533 RESTRAINT = 2.2944 > EELEC = -1953.3773 EGB = -21780.9235 RESTRAINT = 2.3050 265c265 < EAMBER (non-restraint) = -3900.6663 > EAMBER (non-restraint) = -14822.8491 267c267 < NMR restraints: Bond = 0. Angle = 2.294 Torsion = 0. > NMR restraints: Bond = 0. Angle = 2.305 Torsion = 0. 269c269 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 126.91 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 138.59 PRESS = 0. 270c270 < Etot = -2890.8965 EKtot = 941.9327 EPtot = -3832.8293 > Etot = -14202.8680 EKtot = 1028.6395 EPtot = -15231.5075 271c271 < BOND = 346.6260 ANGLE = 853.8200 DIHED = 708.8690 > BOND = 426.5591 ANGLE = 983.0575 DIHED = 711.6213 272c272 < 1-4 NB = 479.6460 1-4 EEL = 7880.7554 VDWAALS = -1192.8301 > 1-4 NB = 474.9597 1-4 EEL = 7544.9124 VDWAALS = -1154.1123 273c273 < EELEC = -388.0580 EGB = -12523.9046 RESTRAINT = 2.2471 > EELEC = -2375.2230 EGB = -21845.5416 RESTRAINT = 2.2593 274c274 < EAMBER (non-restraint) = -3835.0763 > EAMBER (non-restraint) = -15233.7668 276c276 < NMR restraints: Bond = 0. Angle = 2.247 Torsion = 0. > NMR restraints: Bond = 0. Angle = 2.259 Torsion = 0. 279c279 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 102.31 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 108.10 PRESS = 0. 280c280 < Etot = -2904.0585 EKtot = 759.3692 EPtot = -3663.4276 > Etot = -12512.4783 EKtot = 802.3219 EPtot = -13314.8002 281c281 < BOND = 312.5053 ANGLE = 1019.1915 DIHED = 720.0866 > BOND = 330.1363 ANGLE = 1078.8535 DIHED = 719.7838 282c282 < 1-4 NB = 496.6521 1-4 EEL = 7876.7954 VDWAALS = -1179.1311 > 1-4 NB = 497.4724 1-4 EEL = 7716.5072 VDWAALS = -1178.5527 283c283 < EELEC = -394.5142 EGB = -12518.1942 RESTRAINT = 3.1810 > EELEC = -925.4484 EGB = -21556.7363 RESTRAINT = 3.1839 284c284 < EAMBER (non-restraint) = -3666.6087 > EAMBER (non-restraint) = -13317.9841 286c286 < NMR restraints: Bond = 0. Angle = 2.247 Torsion = 0. > NMR restraints: Bond = 0. Angle = 2.259 Torsion = 0. 289c289 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 42.17 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 44.65 PRESS = 0. 290c290 < Etot = 8.5162 EKtot = 313.0237 EPtot = 310.5203 > Etot = 661.7665 EKtot = 331.3985 EPtot = 879.5250 291c291 < BOND = 57.7851 ANGLE = 198.7362 DIHED = 41.4821 > BOND = 65.9006 ANGLE = 189.1196 DIHED = 41.6381 292c292 < 1-4 NB = 13.6137 1-4 EEL = 2.6673 VDWAALS = 12.6864 > 1-4 NB = 14.2022 1-4 EEL = 113.9179 VDWAALS = 14.6661 293c293 < EELEC = 6.6942 EGB = 14.5680 RESTRAINT = 0.6875 > EELEC = 547.6812 EGB = 134.5122 RESTRAINT = 0.6841 294c294 < EAMBER (non-restraint) = 309.8328 > EAMBER (non-restraint) = 878.8410 303c303 < HB3 LYS 34 -- HD3 LYS 34: 63.155 90.000 26.845 2.195 a > HB3 LYS 34 -- HD3 LYS 34: 63.071 90.000 26.929 2.209 a 304c304 < Total angle penalty: 2.195 > Total angle penalty: 2.209 ### Maximum absolute error in matching lines = 1.14e+04 at line 274 field 4 ### Maximum relative error in matching lines = 8.08e+01 at line 293 field 3 --------------------------------------- possible FAILURE: check angle_gb_vs_t.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/angle 3c3 < 2 53.214 > 2 53.215 4c4 < 4 54.040 > 4 54.042 5c5 < 6 55.291 > 6 55.294 7c7 < 10 58.423 > 10 58.416 8c8 < 12 59.913 > 12 59.897 9c9 < 14 61.109 > 14 61.081 10c10 < 16 61.952 > 16 61.908 11c11 < 18 62.555 > 18 62.492 ### Maximum absolute error in matching lines = 6.30e-02 at line 11 field 2 ### Maximum relative error in matching lines = 1.01e-03 at line 11 field 2 --------------------------------------- possible FAILURE: check mdout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/distance 104c104 < NSTEP = 1 TIME(PS) = 1.501 TEMP(K) = 301.94 PRESS = 0. > NSTEP = 1 TIME(PS) = 1.501 TEMP(K) = 301.66 PRESS = 0. 105c105 < Etot = -1060.1463 EKtot = 1858.5408 EPtot = -2918.6870 > Etot = -10007.2845 EKtot = 1856.7937 EPtot = -11864.0782 108c108 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 0.0004 > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 0.0004 109c109 < EAMBER (non-restraint) = -2918.6875 > EAMBER (non-restraint) = -11864.0786 113c113 < NSTEP = 2 TIME(PS) = 1.502 TEMP(K) = 303.86 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.502 TEMP(K) = 303.34 PRESS = 0. 114c114 < Etot = -1060.3714 EKtot = 1870.3787 EPtot = -2930.7501 > Etot = -10015.1781 EKtot = 1867.1306 EPtot = -11882.3087 115c115 < BOND = 448.2492 ANGLE = 1434.6925 DIHED = 800.5178 > BOND = 448.4239 ANGLE = 1434.9436 DIHED = 800.4975 116c116 < 1-4 NB = 526.4558 1-4 EEL = 7884.7306 VDWAALS = -1153.5708 > 1-4 NB = 526.7343 1-4 EEL = 7880.2297 VDWAALS = -1153.2481 117c117 < EELEC = -387.6209 EGB = -12484.2049 RESTRAINT = 0.0005 > EELEC = -391.5686 EGB = -21428.3215 RESTRAINT = 0.0005 118c118 < EAMBER (non-restraint) = -2930.7506 > EAMBER (non-restraint) = -11882.3092 122c122 < NSTEP = 3 TIME(PS) = 1.503 TEMP(K) = 305.92 PRESS = 0. > NSTEP = 3 TIME(PS) = 1.503 TEMP(K) = 305.80 PRESS = 0. 123c123 < Etot = -1060.6438 EKtot = 1883.0661 EPtot = -2943.7099 > Etot = -10026.9967 EKtot = 1882.3118 EPtot = -11909.3085 124c124 < BOND = 450.5071 ANGLE = 1425.6354 DIHED = 800.7337 > BOND = 451.1402 ANGLE = 1426.0782 DIHED = 800.7095 125c125 < 1-4 NB = 525.6442 1-4 EEL = 7887.1685 VDWAALS = -1156.3677 > 1-4 NB = 526.3891 1-4 EEL = 7873.8199 VDWAALS = -1155.6056 126c126 < EELEC = -392.1415 EGB = -12484.8933 RESTRAINT = 0.0037 > EELEC = -404.0078 EGB = -21427.8360 RESTRAINT = 0.0039 127c127 < EAMBER (non-restraint) = -2943.7136 > EAMBER (non-restraint) = -11909.3124 131c131 < NSTEP = 4 TIME(PS) = 1.504 TEMP(K) = 307.50 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.504 TEMP(K) = 308.40 PRESS = 0. 132c132 < Etot = -1060.8813 EKtot = 1892.7572 EPtot = -2953.6385 > Etot = -10042.4282 EKtot = 1898.2876 EPtot = -11940.7158 133c133 < BOND = 452.8694 ANGLE = 1420.5906 DIHED = 800.8664 > BOND = 454.3884 ANGLE = 1421.4934 DIHED = 800.8924 134c134 < 1-4 NB = 524.6758 1-4 EEL = 7888.8442 VDWAALS = -1159.2745 > 1-4 NB = 525.9815 1-4 EEL = 7862.5986 VDWAALS = -1158.0983 135c135 < EELEC = -395.9137 EGB = -12486.3069 RESTRAINT = 0.0102 > EELEC = -419.6078 EGB = -21428.3748 RESTRAINT = 0.0108 136c136 < EAMBER (non-restraint) = -2953.6487 > EAMBER (non-restraint) = -11940.7266 138c138 < NMR restraints: Bond = 0.010 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.011 Angle = 0. Torsion = 0. 140c140 < NSTEP = 5 TIME(PS) = 1.505 TEMP(K) = 308.07 PRESS = 0. > NSTEP = 5 TIME(PS) = 1.505 TEMP(K) = 310.44 PRESS = 0. 141c141 < Etot = -1061.0195 EKtot = 1896.2943 EPtot = -2957.3138 > Etot = -10061.2177 EKtot = 1910.8465 EPtot = -11972.0642 142c142 < BOND = 455.3843 ANGLE = 1421.8010 DIHED = 801.0201 > BOND = 458.3492 ANGLE = 1424.2849 DIHED = 801.1809 143c143 < 1-4 NB = 523.7541 1-4 EEL = 7889.6983 VDWAALS = -1161.8605 > 1-4 NB = 525.6465 1-4 EEL = 7846.9420 VDWAALS = -1160.3629 144c144 < EELEC = -398.7780 EGB = -12488.3529 RESTRAINT = 0.0197 > EELEC = -438.0667 EGB = -21430.0590 RESTRAINT = 0.0209 145c145 < EAMBER (non-restraint) = -2957.3336 > EAMBER (non-restraint) = -11972.0851 147c147 < NMR restraints: Bond = 0.020 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.021 Angle = 0. Torsion = 0. 149c149 < NSTEP = 6 TIME(PS) = 1.506 TEMP(K) = 307.42 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.506 TEMP(K) = 311.45 PRESS = 0. 150c150 < Etot = -1061.0086 EKtot = 1892.2445 EPtot = -2953.2531 > Etot = -10083.1949 EKtot = 1917.0517 EPtot = -12000.2466 151c151 < BOND = 458.1660 ANGLE = 1429.8549 DIHED = 801.3059 > BOND = 463.2116 ANGLE = 1436.1183 DIHED = 801.7066 152c152 < 1-4 NB = 523.0473 1-4 EEL = 7889.7149 VDWAALS = -1163.8534 > 1-4 NB = 525.5239 1-4 EEL = 7827.4022 VDWAALS = -1162.1263 153c153 < EELEC = -400.6620 EGB = -12490.8587 RESTRAINT = 0.0321 > EELEC = -459.1039 EGB = -21433.0130 RESTRAINT = 0.0340 154c154 < EAMBER (non-restraint) = -2953.2852 > EAMBER (non-restraint) = -12000.2807 156c156 < NMR restraints: Bond = 0.032 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.034 Angle = 0. Torsion = 0. 158c158 < NSTEP = 7 TIME(PS) = 1.507 TEMP(K) = 305.67 PRESS = 0. > NSTEP = 7 TIME(PS) = 1.507 TEMP(K) = 311.31 PRESS = 0. 159c159 < Etot = -1060.8549 EKtot = 1881.4730 EPtot = -2942.3279 > Etot = -10108.2910 EKtot = 1916.2396 EPtot = -12024.5307 160c160 < BOND = 461.2207 ANGLE = 1443.4373 DIHED = 801.8103 > BOND = 468.9711 ANGLE = 1456.6042 DIHED = 802.5659 161c161 < 1-4 NB = 522.6083 1-4 EEL = 7888.9167 VDWAALS = -1165.1531 > 1-4 NB = 525.6760 1-4 EEL = 7804.6818 VDWAALS = -1163.2326 162c162 < EELEC = -401.5783 EGB = -12493.6367 RESTRAINT = 0.0469 > EELEC = -482.4756 EGB = -21437.3711 RESTRAINT = 0.0496 163c163 < EAMBER (non-restraint) = -2942.3748 > EAMBER (non-restraint) = -12024.5803 165c165 < NMR restraints: Bond = 0.047 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.050 Angle = 0. Torsion = 0. 167c167 < NSTEP = 8 TIME(PS) = 1.508 TEMP(K) = 303.30 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.508 TEMP(K) = 310.34 PRESS = 0. 168c168 < Etot = -1060.6173 EKtot = 1866.9207 EPtot = -2927.5380 > Etot = -10136.4944 EKtot = 1910.2200 EPtot = -12046.7144 169c169 < BOND = 464.3402 ANGLE = 1459.6486 DIHED = 802.5770 > BOND = 475.3267 ANGLE = 1483.2727 DIHED = 803.8037 170c170 < 1-4 NB = 522.3547 1-4 EEL = 7887.3709 VDWAALS = -1165.7890 > 1-4 NB = 526.0445 1-4 EEL = 7779.6042 VDWAALS = -1163.6186 171c171 < EELEC = -401.6145 EGB = -12496.4894 RESTRAINT = 0.0636 > EELEC = -507.9853 EGB = -21443.2293 RESTRAINT = 0.0670 172c172 < EAMBER (non-restraint) = -2927.6017 > EAMBER (non-restraint) = -12046.7814 174c174 < NMR restraints: Bond = 0.064 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.067 Angle = 0. Torsion = 0. 176c176 < NSTEP = 9 TIME(PS) = 1.509 TEMP(K) = 300.99 PRESS = 0. > NSTEP = 9 TIME(PS) = 1.509 TEMP(K) = 309.10 PRESS = 0. 177c177 < Etot = -1060.3766 EKtot = 1852.6829 EPtot = -2913.0595 > Etot = -10167.8600 EKtot = 1902.6275 EPtot = -12070.4876 178c178 < BOND = 467.1068 ANGLE = 1474.8120 DIHED = 803.6092 > BOND = 481.7264 ANGLE = 1512.1754 DIHED = 805.4157 179c179 < 1-4 NB = 522.1234 1-4 EEL = 7885.1827 VDWAALS = -1165.8744 > 1-4 NB = 526.4667 1-4 EEL = 7753.0588 VDWAALS = -1163.2811 180c180 < EELEC = -400.9017 EGB = -12499.1994 RESTRAINT = 0.0820 > EELEC = -535.4704 EGB = -21450.6647 RESTRAINT = 0.0856 181c181 < EAMBER (non-restraint) = -2913.1415 > EAMBER (non-restraint) = -12070.5732 183c183 < NMR restraints: Bond = 0.082 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.086 Angle = 0. Torsion = 0. 185c185 < NSTEP = 10 TIME(PS) = 1.510 TEMP(K) = 299.37 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.510 TEMP(K) = 308.30 PRESS = 0. 186c186 < Etot = -1060.2131 EKtot = 1842.7472 EPtot = -2902.9603 > Etot = -10202.4594 EKtot = 1897.6618 EPtot = -12100.1212 187c187 < BOND = 468.9967 ANGLE = 1485.5368 DIHED = 804.8874 > BOND = 487.5401 ANGLE = 1538.9492 DIHED = 807.3670 188c188 < 1-4 NB = 521.7637 1-4 EEL = 7882.4935 VDWAALS = -1165.5748 > 1-4 NB = 526.7399 1-4 EEL = 7725.9356 VDWAALS = -1162.2504 189c189 < EELEC = -399.5886 EGB = -12501.5763 RESTRAINT = 0.1015 > EELEC = -564.7848 EGB = -21459.7226 RESTRAINT = 0.1048 190c190 < EAMBER (non-restraint) = -2903.0618 > EAMBER (non-restraint) = -12100.2260 192c192 < NMR restraints: Bond = 0.102 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.105 Angle = 0. Torsion = 0. 194c194 < NSTEP = 11 TIME(PS) = 1.511 TEMP(K) = 298.88 PRESS = 0. > NSTEP = 11 TIME(PS) = 1.511 TEMP(K) = 308.45 PRESS = 0. 195c195 < Etot = -1060.1893 EKtot = 1839.7132 EPtot = -2899.9025 > Etot = -10240.3254 EKtot = 1898.6172 EPtot = -12138.9426 196c196 < BOND = 469.5306 ANGLE = 1489.7363 DIHED = 806.3869 > BOND = 492.2773 ANGLE = 1560.0374 DIHED = 809.6150 197c197 < 1-4 NB = 521.2178 1-4 EEL = 7879.4764 VDWAALS = -1165.0613 > 1-4 NB = 526.7046 1-4 EEL = 7699.0561 VDWAALS = -1160.5633 198c198 < EELEC = -397.8270 EGB = -12503.4842 RESTRAINT = 0.1221 > EELEC = -595.7813 EGB = -21470.4126 RESTRAINT = 0.1243 199c199 < EAMBER (non-restraint) = -2900.0246 > EAMBER (non-restraint) = -12139.0669 201c201 < NMR restraints: Bond = 0.122 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.124 Angle = 0. Torsion = 0. 203c203 < NSTEP = 12 TIME(PS) = 1.512 TEMP(K) = 299.56 PRESS = 0. > NSTEP = 12 TIME(PS) = 1.512 TEMP(K) = 309.77 PRESS = 0. 204c204 < Etot = -1060.3291 EKtot = 1843.8853 EPtot = -2904.2144 > Etot = -10281.4258 EKtot = 1906.7054 EPtot = -12188.1312 205c205 < BOND = 468.4004 ANGLE = 1487.3011 DIHED = 808.0844 > BOND = 495.7485 ANGLE = 1573.7093 DIHED = 812.1248 206c206 < 1-4 NB = 520.5500 1-4 EEL = 7876.3339 VDWAALS = -1164.4101 > 1-4 NB = 526.3091 1-4 EEL = 7673.1115 VDWAALS = -1158.2393 207c207 < EELEC = -395.7696 EGB = -12504.8482 RESTRAINT = 0.1436 > EELEC = -628.2997 EGB = -21482.7396 RESTRAINT = 0.1440 208c208 < EAMBER (non-restraint) = -2904.3580 > EAMBER (non-restraint) = -12188.2752 212c212 < NSTEP = 13 TIME(PS) = 1.513 TEMP(K) = 301.06 PRESS = 0. > NSTEP = 13 TIME(PS) = 1.513 TEMP(K) = 312.02 PRESS = 0. 213c213 < Etot = -1060.5861 EKtot = 1853.1091 EPtot = -2913.6952 > Etot = -10325.6311 EKtot = 1920.5654 EPtot = -12246.1964 214c214 < BOND = 465.5295 ANGLE = 1480.1861 DIHED = 809.9525 > BOND = 498.1037 ANGLE = 1580.5485 DIHED = 814.8748 215c215 < 1-4 NB = 519.9158 1-4 EEL = 7873.2919 VDWAALS = -1163.5224 > 1-4 NB = 525.6211 1-4 EEL = 7648.6179 VDWAALS = -1155.2722 216c216 < EELEC = -393.5766 EGB = -12505.6380 RESTRAINT = 0.1660 > EELEC = -662.1591 EGB = -21496.6952 RESTRAINT = 0.1640 217c217 < EAMBER (non-restraint) = -2913.8612 > EAMBER (non-restraint) = -12246.3604 219c219 < NMR restraints: Bond = 0.166 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.164 Angle = 0. Torsion = 0. 221c221 < NSTEP = 14 TIME(PS) = 1.514 TEMP(K) = 302.76 PRESS = 0. > NSTEP = 14 TIME(PS) = 1.514 TEMP(K) = 314.64 PRESS = 0. 222c222 < Etot = -1060.8645 EKtot = 1863.5643 EPtot = -2924.4289 > Etot = -10372.7505 EKtot = 1936.7363 EPtot = -12309.4868 223c223 < BOND = 461.0683 ANGLE = 1471.8025 DIHED = 811.9533 > BOND = 499.7414 ANGLE = 1583.1849 DIHED = 817.8502 224c224 < 1-4 NB = 519.4870 1-4 EEL = 7870.5811 VDWAALS = -1162.2133 > 1-4 NB = 524.7822 1-4 EEL = 7625.8890 VDWAALS = -1151.6549 225c225 < EELEC = -391.4158 EGB = -12505.8815 RESTRAINT = 0.1895 > EELEC = -697.1521 EGB = -21512.3119 RESTRAINT = 0.1844 226c226 < EAMBER (non-restraint) = -2924.6184 > EAMBER (non-restraint) = -12309.6713 228c228 < NMR restraints: Bond = 0.190 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.184 Angle = 0. Torsion = 0. 230c230 < NSTEP = 15 TIME(PS) = 1.515 TEMP(K) = 304.00 PRESS = 0. > NSTEP = 15 TIME(PS) = 1.515 TEMP(K) = 316.95 PRESS = 0. 231c231 < Etot = -1061.0661 EKtot = 1871.2285 EPtot = -2932.2946 > Etot = -10422.5392 EKtot = 1950.9539 EPtot = -12373.4931 232c232 < BOND = 455.3530 ANGLE = 1465.8337 DIHED = 814.0369 > BOND = 501.1463 ANGLE = 1585.2716 DIHED = 821.0324 233c233 < 1-4 NB = 519.3697 1-4 EEL = 7868.4172 VDWAALS = -1160.4184 > 1-4 NB = 523.9321 1-4 EEL = 7605.0366 VDWAALS = -1147.4281 234c234 < EELEC = -389.4592 EGB = -12505.6417 RESTRAINT = 0.2142 > EELEC = -733.0438 EGB = -21529.6461 RESTRAINT = 0.2058 235c235 < EAMBER (non-restraint) = -2932.5088 > EAMBER (non-restraint) = -12373.6990 237c237 < NMR restraints: Bond = 0.214 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.206 Angle = 0. Torsion = 0. 239c239 < NSTEP = 16 TIME(PS) = 1.516 TEMP(K) = 304.35 PRESS = 0. > NSTEP = 16 TIME(PS) = 1.516 TEMP(K) = 318.38 PRESS = 0. 240c240 < Etot = -1061.1316 EKtot = 1873.3532 EPtot = -2934.4848 > Etot = -10478.9183 EKtot = 1959.7563 EPtot = -12438.6746 241c241 < BOND = 448.8725 ANGLE = 1464.8685 DIHED = 816.1433 > BOND = 502.7411 ANGLE = 1590.0375 DIHED = 824.3864 242c242 < 1-4 NB = 519.5621 1-4 EEL = 7866.9758 VDWAALS = -1158.2951 > 1-4 NB = 523.1539 1-4 EEL = 7585.9964 VDWAALS = -1142.7123 243c243 < EELEC = -387.8756 EGB = -12504.9764 RESTRAINT = 0.2400 > EELEC = -769.5836 EGB = -21552.9228 RESTRAINT = 0.2287 244c244 < EAMBER (non-restraint) = -2934.7248 > EAMBER (non-restraint) = -12438.9033 246c246 < NMR restraints: Bond = 0.240 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.229 Angle = 0. Torsion = 0. 248c248 < NSTEP = 17 TIME(PS) = 1.517 TEMP(K) = 303.70 PRESS = 0. > NSTEP = 17 TIME(PS) = 1.517 TEMP(K) = 318.71 PRESS = 0. 249c249 < Etot = -1061.0490 EKtot = 1869.3521 EPtot = -2930.4011 > Etot = -10533.4474 EKtot = 1961.7838 EPtot = -12495.2312 250c250 < BOND = 442.2579 ANGLE = 1469.3924 DIHED = 818.2061 > BOND = 504.8177 ANGLE = 1598.9821 DIHED = 827.8510 251c251 < 1-4 NB = 519.9769 1-4 EEL = 7866.3753 VDWAALS = -1156.1458 > 1-4 NB = 522.4753 1-4 EEL = 7568.5633 VDWAALS = -1137.6876 252c252 < EELEC = -386.8188 EGB = -12503.9121 RESTRAINT = 0.2671 > EELEC = -806.5258 EGB = -21573.9608 RESTRAINT = 0.2536 253c253 < EAMBER (non-restraint) = -2930.6682 > EAMBER (non-restraint) = -12495.4847 255c255 < NMR restraints: Bond = 0.267 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.254 Angle = 0. Torsion = 0. 257c257 < NSTEP = 18 TIME(PS) = 1.518 TEMP(K) = 302.32 PRESS = 0. > NSTEP = 18 TIME(PS) = 1.518 TEMP(K) = 318.13 PRESS = 0. 258c258 < Etot = -1060.8626 EKtot = 1860.8549 EPtot = -2921.7175 > Etot = -10585.2718 EKtot = 1958.2199 EPtot = -12543.4917 259c259 < BOND = 436.2743 ANGLE = 1477.5445 DIHED = 820.1604 > BOND = 507.5532 ANGLE = 1611.2807 DIHED = 831.3373 260c260 < 1-4 NB = 520.5053 1-4 EEL = 7866.6558 VDWAALS = -1154.2693 > 1-4 NB = 521.9164 1-4 EEL = 7552.4293 VDWAALS = -1132.5371 261c261 < EELEC = -386.4084 EGB = -12502.4757 RESTRAINT = 0.2956 > EELEC = -843.6328 EGB = -21592.1200 RESTRAINT = 0.2813 262c262 < EAMBER (non-restraint) = -2922.0131 > EAMBER (non-restraint) = -12543.7730 264c264 < NMR restraints: Bond = 0.296 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.281 Angle = 0. Torsion = 0. 266c266 < NSTEP = 19 TIME(PS) = 1.519 TEMP(K) = 300.71 PRESS = 0. > NSTEP = 19 TIME(PS) = 1.519 TEMP(K) = 317.16 PRESS = 0. 267c267 < Etot = -1060.6500 EKtot = 1850.9697 EPtot = -2911.6198 > Etot = -10641.1879 EKtot = 1952.2138 EPtot = -12593.4018 268c268 < BOND = 431.7568 ANGLE = 1485.7670 DIHED = 821.9524 > BOND = 511.0551 ANGLE = 1624.1668 DIHED = 834.7395 269c269 < 1-4 NB = 521.0800 1-4 EEL = 7867.7753 VDWAALS = -1152.8419 > 1-4 NB = 521.5408 1-4 EEL = 7537.2252 VDWAALS = -1127.3922 270c270 < EELEC = -386.7156 EGB = -12500.7194 RESTRAINT = 0.3257 > EELEC = -880.7449 EGB = -21614.3050 RESTRAINT = 0.3129 271c271 < EAMBER (non-restraint) = -2911.9454 > EAMBER (non-restraint) = -12593.7147 273c273 < NMR restraints: Bond = 0.326 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.313 Angle = 0. Torsion = 0. 275c275 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 299.43 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 316.41 PRESS = 0. 276c276 < Etot = -1060.4848 EKtot = 1843.1030 EPtot = -2903.5878 > Etot = -10696.9718 EKtot = 1947.6292 EPtot = -12644.6010 277c277 < BOND = 429.4556 ANGLE = 1490.1082 DIHED = 823.5471 > BOND = 515.3637 ANGLE = 1634.1318 DIHED = 837.9531 278c278 < 1-4 NB = 521.7027 1-4 EEL = 7869.6155 VDWAALS = -1151.8883 > 1-4 NB = 521.4772 1-4 EEL = 7522.5560 VDWAALS = -1122.3333 279c279 < EELEC = -387.7517 EGB = -12498.7346 RESTRAINT = 0.3578 > EELEC = -917.8134 EGB = -21636.2858 RESTRAINT = 0.3498 280c280 < EAMBER (non-restraint) = -2903.9456 > EAMBER (non-restraint) = -12644.9508 282c282 < NMR restraints: Bond = 0.358 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.350 Angle = 0. Torsion = 0. 285c285 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 303.04 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 311.54 PRESS = 0. 286c286 < Etot = -1060.6673 EKtot = 1865.3119 EPtot = -2925.9792 > Etot = -10271.4937 EKtot = 1917.6176 EPtot = -12189.1113 287c287 < BOND = 454.0805 ANGLE = 1461.1567 DIHED = 808.3951 > BOND = 483.1949 ANGLE = 1525.9928 DIHED = 812.8027 288c288 < 1-4 NB = 522.1373 1-4 EEL = 7878.5631 VDWAALS = -1159.8880 > 1-4 NB = 525.0033 1-4 EEL = 7712.7199 VDWAALS = -1151.4510 289c289 < EELEC = -393.2502 EGB = -12497.3079 RESTRAINT = 0.1341 > EELEC = -606.0197 EGB = -21491.4855 RESTRAINT = 0.1313 290c290 < EAMBER (non-restraint) = -2926.1133 > EAMBER (non-restraint) = -12189.2426 292c292 < NMR restraints: Bond = 0.358 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.350 Angle = 0. Torsion = 0. 295c295 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 2.78 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 4.88 PRESS = 0. 296c296 < Etot = 0.3126 EKtot = 17.1155 EPtot = 17.3379 > Etot = 218.2507 EKtot = 30.0270 EPtot = 244.8122 297c297 < BOND = 12.0209 ANGLE = 23.7695 DIHED = 7.8154 > BOND = 22.4097 ANGLE = 74.9911 DIHED = 12.3566 298c298 < 1-4 NB = 2.2657 1-4 EEL = 8.7777 VDWAALS = 5.0167 > 1-4 NB = 1.8301 1-4 EEL = 123.5730 VDWAALS = 12.2712 299c299 < EELEC = 5.9681 EGB = 7.8205 RESTRAINT = 0.1141 > EELEC = 169.8693 EGB = 67.1405 RESTRAINT = 0.1090 300c300 < EAMBER (non-restraint) = 17.2238 > EAMBER (non-restraint) = 244.7032 309c309 < CD2 LEU 72 -- CG1 VAL 68: 4.976 5.160 0.184 0.339 d 0: 0 > CD2 LEU 72 -- CG1 VAL 68: 4.978 5.160 0.182 0.332 d 0: 0 310c310 < Total distance penalty: 0.393 > Total distance penalty: 0.394 ### Maximum absolute error in matching lines = 9.74e+03 at line 280 field 4 ### Maximum relative error in matching lines = 6.97e+02 at line 296 field 3 --------------------------------------- possible FAILURE: check dist_gb_vs_t.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/distance 3c3 < 4 5.469 5.127 > 4 5.469 5.125 4c4 < 6 5.459 5.107 > 6 5.459 5.105 5c5 < 8 5.452 5.087 > 8 5.452 5.085 6c6 < 10 5.449 5.066 > 10 5.448 5.065 7c7 < 12 5.448 5.046 > 12 5.448 5.047 8c8 < 14 5.448 5.026 > 14 5.449 5.029 9c9 < 16 5.448 5.007 > 16 5.449 5.012 10c10 < 18 5.446 4.991 > 18 5.444 4.995 ### Maximum absolute error in matching lines = 2.00e-03 at line 3 field 3 ### Maximum relative error in matching lines = 3.93e-04 at line 5 field 3 --------------------------------------- possible FAILURE: check mdout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/distance_COM 106c106 < NSTEP = 1 TIME(PS) = 1.501 TEMP(K) = 301.94 PRESS = 0. > NSTEP = 1 TIME(PS) = 1.501 TEMP(K) = 301.66 PRESS = 0. 107c107 < Etot = -1060.1461 EKtot = 1858.5408 EPtot = -2918.6870 > Etot = -10007.2843 EKtot = 1856.7938 EPtot = -11864.0781 110c110 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 0.0005 > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 0.0005 111c111 < EAMBER (non-restraint) = -2918.6875 > EAMBER (non-restraint) = -11864.0786 115c115 < NSTEP = 2 TIME(PS) = 1.502 TEMP(K) = 303.86 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.502 TEMP(K) = 303.34 PRESS = 0. 116c116 < Etot = -1060.3712 EKtot = 1870.3791 EPtot = -2930.7503 > Etot = -10015.1779 EKtot = 1867.1310 EPtot = -11882.3089 117c117 < BOND = 448.2492 ANGLE = 1434.6925 DIHED = 800.5178 > BOND = 448.4239 ANGLE = 1434.9436 DIHED = 800.4975 118c118 < 1-4 NB = 526.4558 1-4 EEL = 7884.7306 VDWAALS = -1153.5708 > 1-4 NB = 526.7343 1-4 EEL = 7880.2297 VDWAALS = -1153.2481 119c119 < EELEC = -387.6209 EGB = -12484.2048 RESTRAINT = 0.0002 > EELEC = -391.5686 EGB = -21428.3215 RESTRAINT = 0.0002 120c120 < EAMBER (non-restraint) = -2930.7505 > EAMBER (non-restraint) = -11882.3092 124c124 < NSTEP = 3 TIME(PS) = 1.503 TEMP(K) = 305.92 PRESS = 0. > NSTEP = 3 TIME(PS) = 1.503 TEMP(K) = 305.80 PRESS = 0. 125c125 < Etot = -1060.6436 EKtot = 1883.0673 EPtot = -2943.7109 > Etot = -10026.9965 EKtot = 1882.3131 EPtot = -11909.3096 126c126 < BOND = 450.5071 ANGLE = 1425.6354 DIHED = 800.7337 > BOND = 451.1402 ANGLE = 1426.0782 DIHED = 800.7095 127c127 < 1-4 NB = 525.6442 1-4 EEL = 7887.1685 VDWAALS = -1156.3677 > 1-4 NB = 526.3891 1-4 EEL = 7873.8199 VDWAALS = -1155.6056 128c128 < EELEC = -392.1414 EGB = -12484.8933 RESTRAINT = 0.0027 > EELEC = -404.0078 EGB = -21427.8360 RESTRAINT = 0.0028 129c129 < EAMBER (non-restraint) = -2943.7136 > EAMBER (non-restraint) = -11909.3124 133c133 < NSTEP = 4 TIME(PS) = 1.504 TEMP(K) = 307.50 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.504 TEMP(K) = 308.40 PRESS = 0. 134c134 < Etot = -1060.8811 EKtot = 1892.7598 EPtot = -2953.6410 > Etot = -10042.4281 EKtot = 1898.2906 EPtot = -11940.7186 135c135 < BOND = 452.8694 ANGLE = 1420.5905 DIHED = 800.8664 > BOND = 454.3884 ANGLE = 1421.4933 DIHED = 800.8923 136c136 < 1-4 NB = 524.6757 1-4 EEL = 7888.8442 VDWAALS = -1159.2744 > 1-4 NB = 525.9815 1-4 EEL = 7862.5987 VDWAALS = -1158.0983 137c137 < EELEC = -395.9137 EGB = -12486.3069 RESTRAINT = 0.0078 > EELEC = -419.6078 EGB = -21428.3747 RESTRAINT = 0.0081 138c138 < EAMBER (non-restraint) = -2953.6487 > EAMBER (non-restraint) = -11940.7267 142c142 < NSTEP = 5 TIME(PS) = 1.505 TEMP(K) = 308.07 PRESS = 0. > NSTEP = 5 TIME(PS) = 1.505 TEMP(K) = 310.44 PRESS = 0. 143c143 < Etot = -1061.0193 EKtot = 1896.2993 EPtot = -2957.3186 > Etot = -10061.2175 EKtot = 1910.8520 EPtot = -11972.0695 144c144 < BOND = 455.3843 ANGLE = 1421.8006 DIHED = 801.0201 > BOND = 458.3492 ANGLE = 1424.2847 DIHED = 801.1809 145c145 < 1-4 NB = 523.7540 1-4 EEL = 7889.6985 VDWAALS = -1161.8604 > 1-4 NB = 525.6464 1-4 EEL = 7846.9421 VDWAALS = -1160.3629 146c146 < EELEC = -398.7780 EGB = -12488.3529 RESTRAINT = 0.0152 > EELEC = -438.0667 EGB = -21430.0590 RESTRAINT = 0.0158 147c147 < EAMBER (non-restraint) = -2957.3338 > EAMBER (non-restraint) = -11972.0854 149c149 < NMR restraints: Bond = 0.015 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.016 Angle = 0. Torsion = 0. 151c151 < NSTEP = 6 TIME(PS) = 1.506 TEMP(K) = 307.42 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.506 TEMP(K) = 311.45 PRESS = 0. 152c152 < Etot = -1061.0084 EKtot = 1892.2527 EPtot = -2953.2611 > Etot = -10083.1948 EKtot = 1917.0605 EPtot = -12000.2552 153c153 < BOND = 458.1659 ANGLE = 1429.8542 DIHED = 801.3058 > BOND = 463.2115 ANGLE = 1436.1181 DIHED = 801.7065 154c154 < 1-4 NB = 523.0471 1-4 EEL = 7889.7153 VDWAALS = -1163.8533 > 1-4 NB = 525.5236 1-4 EEL = 7827.4026 VDWAALS = -1162.1263 155c155 < EELEC = -400.6620 EGB = -12490.8587 RESTRAINT = 0.0246 > EELEC = -459.1039 EGB = -21433.0130 RESTRAINT = 0.0257 156c156 < EAMBER (non-restraint) = -2953.2857 > EAMBER (non-restraint) = -12000.2809 158c158 < NMR restraints: Bond = 0.025 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.026 Angle = 0. Torsion = 0. 160c160 < NSTEP = 7 TIME(PS) = 1.507 TEMP(K) = 305.67 PRESS = 0. > NSTEP = 7 TIME(PS) = 1.507 TEMP(K) = 311.32 PRESS = 0. 161c161 < Etot = -1060.8548 EKtot = 1881.4852 EPtot = -2942.3400 > Etot = -10108.2909 EKtot = 1916.2523 EPtot = -12024.5433 162c162 < BOND = 461.2204 ANGLE = 1443.4363 DIHED = 801.8102 > BOND = 468.9708 ANGLE = 1456.6044 DIHED = 802.5658 163c163 < 1-4 NB = 522.6078 1-4 EEL = 7888.9174 VDWAALS = -1165.1528 > 1-4 NB = 525.6755 1-4 EEL = 7804.6825 VDWAALS = -1163.2326 164c164 < EELEC = -401.5782 EGB = -12493.6367 RESTRAINT = 0.0355 > EELEC = -482.4756 EGB = -21437.3711 RESTRAINT = 0.0371 165c165 < EAMBER (non-restraint) = -2942.3755 > EAMBER (non-restraint) = -12024.5803 167c167 < NMR restraints: Bond = 0.036 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.037 Angle = 0. Torsion = 0. 169c169 < NSTEP = 8 TIME(PS) = 1.508 TEMP(K) = 303.30 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.508 TEMP(K) = 310.34 PRESS = 0. 170c170 < Etot = -1060.6172 EKtot = 1866.9378 EPtot = -2927.5550 > Etot = -10136.4943 EKtot = 1910.2371 EPtot = -12046.7314 171c171 < BOND = 464.3398 ANGLE = 1459.6473 DIHED = 802.5769 > BOND = 475.3260 ANGLE = 1483.2736 DIHED = 803.8036 172c172 < 1-4 NB = 522.3539 1-4 EEL = 7887.3721 VDWAALS = -1165.7887 > 1-4 NB = 526.0436 1-4 EEL = 7779.6055 VDWAALS = -1163.6185 173c173 < EELEC = -401.6144 EGB = -12496.4894 RESTRAINT = 0.0475 > EELEC = -507.9853 EGB = -21443.2293 RESTRAINT = 0.0495 174c174 < EAMBER (non-restraint) = -2927.6025 > EAMBER (non-restraint) = -12046.7809 176c176 < NMR restraints: Bond = 0.047 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.049 Angle = 0. Torsion = 0. 178c178 < NSTEP = 9 TIME(PS) = 1.509 TEMP(K) = 300.99 PRESS = 0. > NSTEP = 9 TIME(PS) = 1.509 TEMP(K) = 309.11 PRESS = 0. 179c179 < Etot = -1060.3765 EKtot = 1852.7055 EPtot = -2913.0820 > Etot = -10167.8599 EKtot = 1902.6494 EPtot = -12070.5094 180c180 < BOND = 467.1063 ANGLE = 1474.8107 DIHED = 803.6091 > BOND = 481.7253 ANGLE = 1512.1774 DIHED = 805.4156 181c181 < 1-4 NB = 522.1223 1-4 EEL = 7885.1846 VDWAALS = -1165.8741 > 1-4 NB = 526.4653 1-4 EEL = 7753.0608 VDWAALS = -1163.2811 182c182 < EELEC = -400.9016 EGB = -12499.1994 RESTRAINT = 0.0601 > EELEC = -535.4704 EGB = -21450.6647 RESTRAINT = 0.0624 183c183 < EAMBER (non-restraint) = -2913.1421 > EAMBER (non-restraint) = -12070.5718 185c185 < NMR restraints: Bond = 0.060 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.062 Angle = 0. Torsion = 0. 187c187 < NSTEP = 10 TIME(PS) = 1.510 TEMP(K) = 299.38 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.510 TEMP(K) = 308.30 PRESS = 0. 188c188 < Etot = -1060.2130 EKtot = 1842.7759 EPtot = -2902.9889 > Etot = -10202.4593 EKtot = 1897.6888 EPtot = -12100.1481 189c189 < BOND = 468.9963 ANGLE = 1485.5354 DIHED = 804.8873 > BOND = 487.5385 ANGLE = 1538.9525 DIHED = 807.3669 190c190 < 1-4 NB = 521.7621 1-4 EEL = 7882.4962 VDWAALS = -1165.5746 > 1-4 NB = 526.7378 1-4 EEL = 7725.9385 VDWAALS = -1162.2504 191c191 < EELEC = -399.5884 EGB = -12501.5764 RESTRAINT = 0.0732 > EELEC = -564.7848 EGB = -21459.7226 RESTRAINT = 0.0756 192c192 < EAMBER (non-restraint) = -2903.0620 > EAMBER (non-restraint) = -12100.2237 194c194 < NMR restraints: Bond = 0.073 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.076 Angle = 0. Torsion = 0. 196c196 < NSTEP = 11 TIME(PS) = 1.511 TEMP(K) = 298.89 PRESS = 0. > NSTEP = 11 TIME(PS) = 1.511 TEMP(K) = 308.46 PRESS = 0. 197c197 < Etot = -1060.1893 EKtot = 1839.7482 EPtot = -2899.9375 > Etot = -10240.3253 EKtot = 1898.6496 EPtot = -12138.9750 198c198 < BOND = 469.5310 ANGLE = 1489.7350 DIHED = 806.3868 > BOND = 492.2751 ANGLE = 1560.0419 DIHED = 809.6148 199c199 < 1-4 NB = 521.2156 1-4 EEL = 7879.4802 VDWAALS = -1165.0613 > 1-4 NB = 526.7018 1-4 EEL = 7699.0600 VDWAALS = -1160.5633 200c200 < EELEC = -397.8269 EGB = -12503.4843 RESTRAINT = 0.0864 > EELEC = -595.7813 EGB = -21470.4127 RESTRAINT = 0.0888 201c201 < EAMBER (non-restraint) = -2900.0240 > EAMBER (non-restraint) = -12139.0637 203c203 < NMR restraints: Bond = 0.086 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.089 Angle = 0. Torsion = 0. 205c205 < NSTEP = 12 TIME(PS) = 1.512 TEMP(K) = 299.57 PRESS = 0. > NSTEP = 12 TIME(PS) = 1.512 TEMP(K) = 309.77 PRESS = 0. 206c206 < Etot = -1060.3292 EKtot = 1843.9269 EPtot = -2904.2561 > Etot = -10281.4258 EKtot = 1906.7438 EPtot = -12188.1696 207c207 < BOND = 468.4022 ANGLE = 1487.2996 DIHED = 808.0842 > BOND = 495.7460 ANGLE = 1573.7144 DIHED = 812.1246 208c208 < 1-4 NB = 520.5470 1-4 EEL = 7876.3390 VDWAALS = -1164.4103 > 1-4 NB = 526.3052 1-4 EEL = 7673.1167 VDWAALS = -1158.2392 209c209 < EELEC = -395.7694 EGB = -12504.8483 RESTRAINT = 0.1000 > EELEC = -628.2997 EGB = -21482.7397 RESTRAINT = 0.1021 210c210 < EAMBER (non-restraint) = -2904.3561 > EAMBER (non-restraint) = -12188.2717 212c212 < NMR restraints: Bond = 0.100 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.102 Angle = 0. Torsion = 0. 214c214 < NSTEP = 13 TIME(PS) = 1.513 TEMP(K) = 301.07 PRESS = 0. > NSTEP = 13 TIME(PS) = 1.513 TEMP(K) = 312.02 PRESS = 0. 215c215 < Etot = -1060.5862 EKtot = 1853.1572 EPtot = -2913.7434 > Etot = -10325.6311 EKtot = 1920.6106 EPtot = -12246.2417 216c216 < BOND = 465.5338 ANGLE = 1480.1842 DIHED = 809.9522 > BOND = 498.1009 ANGLE = 1580.5532 DIHED = 814.8745 217c217 < 1-4 NB = 519.9118 1-4 EEL = 7873.2984 VDWAALS = -1163.5231 > 1-4 NB = 525.6158 1-4 EEL = 7648.6246 VDWAALS = -1155.2721 218c218 < EELEC = -393.5766 EGB = -12505.6382 RESTRAINT = 0.1140 > EELEC = -662.1591 EGB = -21496.6953 RESTRAINT = 0.1158 219c219 < EAMBER (non-restraint) = -2913.8574 > EAMBER (non-restraint) = -12246.3574 221c221 < NMR restraints: Bond = 0.114 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.116 Angle = 0. Torsion = 0. 223c223 < NSTEP = 14 TIME(PS) = 1.514 TEMP(K) = 302.77 PRESS = 0. > NSTEP = 14 TIME(PS) = 1.514 TEMP(K) = 314.65 PRESS = 0. 224c224 < Etot = -1060.8647 EKtot = 1863.6185 EPtot = -2924.4832 > Etot = -10372.7505 EKtot = 1936.7894 EPtot = -12309.5399 225c225 < BOND = 461.0760 ANGLE = 1471.8000 DIHED = 811.9530 > BOND = 499.7383 ANGLE = 1583.1879 DIHED = 817.8498 226c226 < 1-4 NB = 519.4819 1-4 EEL = 7870.5893 VDWAALS = -1162.2145 > 1-4 NB = 524.7754 1-4 EEL = 7625.8974 VDWAALS = -1151.6549 227c227 < EELEC = -391.4158 EGB = -12505.8819 RESTRAINT = 0.1288 > EELEC = -697.1521 EGB = -21512.3120 RESTRAINT = 0.1302 228c228 < EAMBER (non-restraint) = -2924.6120 > EAMBER (non-restraint) = -12309.6701 230c230 < NMR restraints: Bond = 0.129 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.130 Angle = 0. Torsion = 0. 232c232 < NSTEP = 15 TIME(PS) = 1.515 TEMP(K) = 304.01 PRESS = 0. > NSTEP = 15 TIME(PS) = 1.515 TEMP(K) = 316.96 PRESS = 0. 233c233 < Etot = -1061.0663 EKtot = 1871.2882 EPtot = -2932.3546 > Etot = -10422.5393 EKtot = 1951.0160 EPtot = -12373.5552 234c234 < BOND = 455.3652 ANGLE = 1465.8302 DIHED = 814.0366 > BOND = 501.1430 ANGLE = 1585.2716 DIHED = 821.0319 235c235 < 1-4 NB = 519.3631 1-4 EEL = 7868.4272 VDWAALS = -1160.4201 > 1-4 NB = 523.9236 1-4 EEL = 7605.0469 VDWAALS = -1147.4280 236c236 < EELEC = -389.4593 EGB = -12505.6421 RESTRAINT = 0.1447 > EELEC = -733.0438 EGB = -21529.6462 RESTRAINT = 0.1458 237c237 < EAMBER (non-restraint) = -2932.4992 > EAMBER (non-restraint) = -12373.7011 239c239 < NMR restraints: Bond = 0.145 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.146 Angle = 0. Torsion = 0. 241c241 < NSTEP = 16 TIME(PS) = 1.516 TEMP(K) = 304.36 PRESS = 0. > NSTEP = 16 TIME(PS) = 1.516 TEMP(K) = 318.40 PRESS = 0. 242c242 < Etot = -1061.1318 EKtot = 1873.4179 EPtot = -2934.5497 > Etot = -10478.9185 EKtot = 1959.8288 EPtot = -12438.7473 243c243 < BOND = 448.8901 ANGLE = 1464.8639 DIHED = 816.1429 > BOND = 502.7373 ANGLE = 1590.0330 DIHED = 824.3858 244c244 < 1-4 NB = 519.5538 1-4 EEL = 7866.9879 VDWAALS = -1158.2975 > 1-4 NB = 523.1434 1-4 EEL = 7586.0088 VDWAALS = -1142.7122 245c245 < EELEC = -387.8759 EGB = -12504.9770 RESTRAINT = 0.1619 > EELEC = -769.5836 EGB = -21552.9228 RESTRAINT = 0.1631 246c246 < EAMBER (non-restraint) = -2934.7117 > EAMBER (non-restraint) = -12438.9104 248c248 < NMR restraints: Bond = 0.162 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.163 Angle = 0. Torsion = 0. 250c250 < NSTEP = 17 TIME(PS) = 1.517 TEMP(K) = 303.71 PRESS = 0. > NSTEP = 17 TIME(PS) = 1.517 TEMP(K) = 318.73 PRESS = 0. 251c251 < Etot = -1061.0493 EKtot = 1869.4211 EPtot = -2930.4704 > Etot = -10533.4476 EKtot = 1961.8683 EPtot = -12495.3159 252c252 < BOND = 442.2815 ANGLE = 1469.3864 DIHED = 818.2058 > BOND = 504.8128 ANGLE = 1598.9720 DIHED = 827.8502 253c253 < 1-4 NB = 519.9667 1-4 EEL = 7866.3897 VDWAALS = -1156.1489 > 1-4 NB = 522.4628 1-4 EEL = 7568.5779 VDWAALS = -1137.6875 254c254 < EELEC = -386.8193 EGB = -12503.9130 RESTRAINT = 0.1809 > EELEC = -806.5259 EGB = -21573.9608 RESTRAINT = 0.1825 255c255 < EAMBER (non-restraint) = -2930.6513 > EAMBER (non-restraint) = -12495.4984 257c257 < NMR restraints: Bond = 0.181 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.182 Angle = 0. Torsion = 0. 259c259 < NSTEP = 18 TIME(PS) = 1.518 TEMP(K) = 302.33 PRESS = 0. > NSTEP = 18 TIME(PS) = 1.518 TEMP(K) = 318.15 PRESS = 0. 260c260 < Etot = -1060.8630 EKtot = 1860.9275 EPtot = -2921.7905 > Etot = -10585.2721 EKtot = 1958.3176 EPtot = -12543.5898 261c261 < BOND = 436.3036 ANGLE = 1477.5373 DIHED = 820.1602 > BOND = 507.5465 ANGLE = 1611.2644 DIHED = 831.3365 262c262 < 1-4 NB = 520.4929 1-4 EEL = 7866.6727 VDWAALS = -1154.2731 > 1-4 NB = 521.9017 1-4 EEL = 7552.4464 VDWAALS = -1132.5369 263c263 < EELEC = -386.4092 EGB = -12502.4768 RESTRAINT = 0.2019 > EELEC = -843.6329 EGB = -21592.1200 RESTRAINT = 0.2045 264c264 < EAMBER (non-restraint) = -2921.9924 > EAMBER (non-restraint) = -12543.7943 266c266 < NMR restraints: Bond = 0.202 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.205 Angle = 0. Torsion = 0. 268c268 < NSTEP = 19 TIME(PS) = 1.519 TEMP(K) = 300.72 PRESS = 0. > NSTEP = 19 TIME(PS) = 1.519 TEMP(K) = 317.18 PRESS = 0. 269c269 < Etot = -1060.6505 EKtot = 1851.0451 EPtot = -2911.6956 > Etot = -10641.1884 EKtot = 1952.3253 EPtot = -12593.5138 270c270 < BOND = 431.7912 ANGLE = 1485.7594 DIHED = 821.9524 > BOND = 511.0456 ANGLE = 1624.1451 DIHED = 834.7388 271c271 < 1-4 NB = 521.0653 1-4 EEL = 7867.7949 VDWAALS = -1152.8465 > 1-4 NB = 521.5240 1-4 EEL = 7537.2449 VDWAALS = -1127.3920 272c272 < EELEC = -386.7168 EGB = -12500.7208 RESTRAINT = 0.2254 > EELEC = -880.7451 EGB = -21614.3050 RESTRAINT = 0.2300 273c273 < EAMBER (non-restraint) = -2911.9210 > EAMBER (non-restraint) = -12593.7438 275c275 < NMR restraints: Bond = 0.225 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.230 Angle = 0. Torsion = 0. 277c277 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 299.44 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 316.43 PRESS = 0. 278c278 < Etot = -1060.4854 EKtot = 1843.1797 EPtot = -2903.6651 > Etot = -10696.9725 EKtot = 1947.7539 EPtot = -12644.7264 279c279 < BOND = 429.4938 ANGLE = 1490.1017 DIHED = 823.5475 > BOND = 515.3501 ANGLE = 1634.1070 DIHED = 837.9525 280c280 < 1-4 NB = 521.6855 1-4 EEL = 7869.6379 VDWAALS = -1151.8938 > 1-4 NB = 521.4581 1-4 EEL = 7522.5786 VDWAALS = -1122.3331 281c281 < EELEC = -387.7532 EGB = -12498.7363 RESTRAINT = 0.2519 > EELEC = -917.8137 EGB = -21636.2858 RESTRAINT = 0.2599 282c282 < EAMBER (non-restraint) = -2903.9171 > EAMBER (non-restraint) = -12644.9863 284c284 < NMR restraints: Bond = 0.252 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.260 Angle = 0. Torsion = 0. 287c287 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 303.05 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 311.54 PRESS = 0. 288c288 < Etot = -1060.6674 EKtot = 1865.3467 EPtot = -2926.0140 > Etot = -10271.4937 EKtot = 1917.6586 EPtot = -12189.1523 289c289 < BOND = 454.0889 ANGLE = 1461.1543 DIHED = 808.3950 > BOND = 483.1920 ANGLE = 1525.9901 DIHED = 812.8024 290c290 < 1-4 NB = 522.1329 1-4 EEL = 7878.5695 VDWAALS = -1159.8891 > 1-4 NB = 524.9980 1-4 EEL = 7712.7264 VDWAALS = -1151.4509 291c291 < EELEC = -393.2504 EGB = -12497.3083 RESTRAINT = 0.0932 > EELEC = -606.0198 EGB = -21491.4856 RESTRAINT = 0.0950 292c292 < EAMBER (non-restraint) = -2926.1072 > EAMBER (non-restraint) = -12189.2474 294c294 < NMR restraints: Bond = 0.252 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.260 Angle = 0. Torsion = 0. 297c297 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 2.78 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 4.88 PRESS = 0. 298c298 < Etot = 0.3127 EKtot = 17.1019 EPtot = 17.3245 > Etot = 218.2509 EKtot = 30.0593 EPtot = 244.8503 299c299 < BOND = 12.0106 ANGLE = 23.7680 DIHED = 7.8154 > BOND = 22.4070 ANGLE = 74.9868 DIHED = 12.3563 300c300 < 1-4 NB = 2.2687 1-4 EEL = 8.7715 VDWAALS = 5.0155 > 1-4 NB = 1.8359 1-4 EEL = 123.5663 VDWAALS = 12.2712 301c301 < EELEC = 5.9679 EGB = 7.8207 RESTRAINT = 0.0780 > EELEC = 169.8694 EGB = 67.1405 RESTRAINT = 0.0794 302c302 < EAMBER (non-restraint) = 17.2465 > EAMBER (non-restraint) = 244.7709 311c311 < CD2 LEU 72 -- *CG2 VAL 68: 6.189 6.340 0.151 0.229 d 0: 0 > CD2 LEU 72 -- *CG2 VAL 68: 6.187 6.340 0.153 0.233 d 0: 0 312c312 < Total distance penalty: 0.282 > Total distance penalty: 0.296 ### Maximum absolute error in matching lines = 9.74e+03 at line 282 field 4 ### Maximum relative error in matching lines = 6.97e+02 at line 298 field 3 --------------------------------------- possible FAILURE: check distCOM_gb_vs_t.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/distance_COM 4c4 < 6 5.459 6.299 > 6 5.459 6.298 5c5 < 8 5.452 6.284 > 8 5.452 6.283 6c6 < 10 5.449 6.268 > 10 5.448 6.267 7c7 < 12 5.448 6.251 > 12 5.448 6.250 8c8 < 14 5.448 6.235 > 14 5.449 6.234 9c9 < 16 5.448 6.219 > 16 5.449 6.218 10c10 < 18 5.446 6.204 > 18 5.444 6.203 ### Maximum absolute error in matching lines = 2.00e-03 at line 10 field 2 ### Maximum relative error in matching lines = 3.67e-04 at line 10 field 2 --------------------------------------- possible FAILURE: check distr6av_gb.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/distance_COM 106c106 < NSTEP = 1 TIME(PS) = 1.501 TEMP(K) = 301.93 PRESS = 0. > NSTEP = 1 TIME(PS) = 1.501 TEMP(K) = 301.65 PRESS = 0. 107c107 < Etot = -1057.9679 EKtot = 1858.4980 EPtot = -2916.4660 > Etot = -10005.1065 EKtot = 1856.7506 EPtot = -11861.8571 110c110 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 2.2215 > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 2.2215 111c111 < EAMBER (non-restraint) = -2918.6875 > EAMBER (non-restraint) = -11864.0786 115c115 < NSTEP = 2 TIME(PS) = 1.502 TEMP(K) = 303.84 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.502 TEMP(K) = 303.31 PRESS = 0. 116c116 < Etot = -1058.1931 EKtot = 1870.2524 EPtot = -2928.4455 > Etot = -10013.0001 EKtot = 1867.0014 EPtot = -11880.0015 117c117 < BOND = 448.2481 ANGLE = 1434.6953 DIHED = 800.5180 > BOND = 448.4227 ANGLE = 1434.9463 DIHED = 800.4978 118c118 < 1-4 NB = 526.4567 1-4 EEL = 7884.7305 VDWAALS = -1153.5714 > 1-4 NB = 526.7351 1-4 EEL = 7880.2296 VDWAALS = -1153.2481 119c119 < EELEC = -387.6213 EGB = -12484.2051 RESTRAINT = 2.3037 > EELEC = -391.5684 EGB = -21428.3216 RESTRAINT = 2.3051 120c120 < EAMBER (non-restraint) = -2930.7492 > EAMBER (non-restraint) = -11882.3066 122c122 < NMR restraints: Bond = 2.304 Angle = 0. Torsion = 0. > NMR restraints: Bond = 2.305 Angle = 0. Torsion = 0. 124c124 < NSTEP = 3 TIME(PS) = 1.503 TEMP(K) = 305.89 PRESS = 0. > NSTEP = 3 TIME(PS) = 1.503 TEMP(K) = 305.77 PRESS = 0. 125c125 < Etot = -1058.4654 EKtot = 1882.8575 EPtot = -2941.3229 > Etot = -10024.8184 EKtot = 1882.0969 EPtot = -11906.9154 126c126 < BOND = 450.5054 ANGLE = 1425.6434 DIHED = 800.7344 > BOND = 451.1385 ANGLE = 1426.0847 DIHED = 800.7102 127c127 < 1-4 NB = 525.6466 1-4 EEL = 7887.1681 VDWAALS = -1156.3694 > 1-4 NB = 526.3916 1-4 EEL = 7873.8196 VDWAALS = -1155.6057 128c128 < EELEC = -392.1427 EGB = -12484.8941 RESTRAINT = 2.3854 > EELEC = -404.0074 EGB = -21427.8362 RESTRAINT = 2.3894 129c129 < EAMBER (non-restraint) = -2943.7083 > EAMBER (non-restraint) = -11909.3048 131c131 < NMR restraints: Bond = 2.385 Angle = 0. Torsion = 0. > NMR restraints: Bond = 2.389 Angle = 0. Torsion = 0. 133c133 < NSTEP = 4 TIME(PS) = 1.504 TEMP(K) = 307.45 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.504 TEMP(K) = 308.35 PRESS = 0. 134c134 < Etot = -1058.7027 EKtot = 1892.4667 EPtot = -2951.1694 > Etot = -10040.2496 EKtot = 1897.9886 EPtot = -11938.2383 135c135 < BOND = 452.8697 ANGLE = 1420.6043 DIHED = 800.8679 > BOND = 454.3886 ANGLE = 1421.5018 DIHED = 800.8938 136c136 < 1-4 NB = 524.6802 1-4 EEL = 7888.8435 VDWAALS = -1159.2770 > 1-4 NB = 525.9863 1-4 EEL = 7862.5979 VDWAALS = -1158.0985 137c137 < EELEC = -395.9160 EGB = -12486.3085 RESTRAINT = 2.4666 > EELEC = -419.6071 EGB = -21428.3752 RESTRAINT = 2.4741 138c138 < EAMBER (non-restraint) = -2953.6360 > EAMBER (non-restraint) = -11940.7124 140c140 < NMR restraints: Bond = 2.467 Angle = 0. Torsion = 0. > NMR restraints: Bond = 2.474 Angle = 0. Torsion = 0. 142c142 < NSTEP = 5 TIME(PS) = 1.505 TEMP(K) = 308.01 PRESS = 0. > NSTEP = 5 TIME(PS) = 1.505 TEMP(K) = 310.38 PRESS = 0. 143c143 < Etot = -1058.8405 EKtot = 1895.9227 EPtot = -2954.7632 > Etot = -10059.0386 EKtot = 1910.4673 EPtot = -11969.5059 144c144 < BOND = 455.3901 ANGLE = 1421.8190 DIHED = 801.0224 > BOND = 458.3551 ANGLE = 1424.2903 DIHED = 801.1833 145c145 < 1-4 NB = 523.7611 1-4 EEL = 7889.6971 VDWAALS = -1161.8632 > 1-4 NB = 525.6543 1-4 EEL = 7846.9408 VDWAALS = -1160.3632 146c146 < EELEC = -398.7818 EGB = -12488.3554 RESTRAINT = 2.5474 > EELEC = -438.0655 EGB = -21430.0597 RESTRAINT = 2.5588 147c147 < EAMBER (non-restraint) = -2957.3106 > EAMBER (non-restraint) = -11972.0647 149c149 < NMR restraints: Bond = 2.547 Angle = 0. Torsion = 0. > NMR restraints: Bond = 2.559 Angle = 0. Torsion = 0. 151c151 < NSTEP = 6 TIME(PS) = 1.506 TEMP(K) = 307.34 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.506 TEMP(K) = 311.37 PRESS = 0. 152c152 < Etot = -1058.8291 EKtot = 1891.7938 EPtot = -2950.6229 > Etot = -10081.0154 EKtot = 1916.5983 EPtot = -11997.6137 153c153 < BOND = 458.1807 ANGLE = 1429.8738 DIHED = 801.3091 > BOND = 463.2268 ANGLE = 1436.1139 DIHED = 801.7099 154c154 < 1-4 NB = 523.0575 1-4 EEL = 7889.7131 VDWAALS = -1163.8550 > 1-4 NB = 525.5358 1-4 EEL = 7827.4004 VDWAALS = -1162.1267 155c155 < EELEC = -400.6673 EGB = -12490.8622 RESTRAINT = 2.6274 > EELEC = -459.1022 EGB = -21433.0141 RESTRAINT = 2.6423 156c156 < EAMBER (non-restraint) = -2953.2502 > EAMBER (non-restraint) = -12000.2560 158c158 < NMR restraints: Bond = 2.627 Angle = 0. Torsion = 0. > NMR restraints: Bond = 2.642 Angle = 0. Torsion = 0. 160c160 < NSTEP = 7 TIME(PS) = 1.507 TEMP(K) = 305.58 PRESS = 0. > NSTEP = 7 TIME(PS) = 1.507 TEMP(K) = 311.23 PRESS = 0. 161c161 < Etot = -1058.6749 EKtot = 1880.9475 EPtot = -2939.6224 > Etot = -10106.1111 EKtot = 1915.7191 EPtot = -12021.8302 162c162 < BOND = 461.2460 ANGLE = 1443.4527 DIHED = 801.8145 > BOND = 468.9982 ANGLE = 1456.5837 DIHED = 802.5704 163c163 < 1-4 NB = 522.6226 1-4 EEL = 7888.9142 VDWAALS = -1165.1519 > 1-4 NB = 525.6936 1-4 EEL = 7804.6793 VDWAALS = -1163.2332 164c164 < EELEC = -401.5852 EGB = -12493.6411 RESTRAINT = 2.7059 > EELEC = -482.4733 EGB = -21437.3725 RESTRAINT = 2.7237 165c165 < EAMBER (non-restraint) = -2942.3283 > EAMBER (non-restraint) = -12024.5539 167c167 < NMR restraints: Bond = 2.706 Angle = 0. Torsion = 0. > NMR restraints: Bond = 2.724 Angle = 0. Torsion = 0. 169c169 < NSTEP = 8 TIME(PS) = 1.508 TEMP(K) = 303.21 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.508 TEMP(K) = 310.24 PRESS = 0. 170c170 < Etot = -1058.4367 EKtot = 1866.3267 EPtot = -2924.7634 > Etot = -10134.3141 EKtot = 1909.6390 EPtot = -12043.9531 171c171 < BOND = 464.3749 ANGLE = 1459.6567 DIHED = 802.5821 > BOND = 475.3653 ANGLE = 1483.2328 DIHED = 803.8093 172c172 < 1-4 NB = 522.3742 1-4 EEL = 7887.3677 VDWAALS = -1165.7835 > 1-4 NB = 526.0697 1-4 EEL = 7779.6010 VDWAALS = -1163.6193 173c173 < EELEC = -401.6233 EGB = -12496.4946 RESTRAINT = 2.7825 > EELEC = -507.9824 EGB = -21443.2311 RESTRAINT = 2.8016 174c174 < EAMBER (non-restraint) = -2927.5458 > EAMBER (non-restraint) = -12046.7548 176c176 < NMR restraints: Bond = 2.782 Angle = 0. Torsion = 0. > NMR restraints: Bond = 2.802 Angle = 0. Torsion = 0. 178c178 < NSTEP = 9 TIME(PS) = 1.509 TEMP(K) = 300.88 PRESS = 0. > NSTEP = 9 TIME(PS) = 1.509 TEMP(K) = 309.00 PRESS = 0. 179c179 < Etot = -1058.1954 EKtot = 1852.0277 EPtot = -2910.2230 > Etot = -10165.6793 EKtot = 1901.9907 EPtot = -12067.6701 180c180 < BOND = 467.1456 ANGLE = 1474.8118 DIHED = 803.6152 > BOND = 481.7731 ANGLE = 1512.1183 DIHED = 805.4226 181c181 < 1-4 NB = 522.1495 1-4 EEL = 7885.1788 VDWAALS = -1165.8629 > 1-4 NB = 526.5020 1-4 EEL = 7753.0549 VDWAALS = -1163.2822 182c182 < EELEC = -400.9123 EGB = -12499.2051 RESTRAINT = 2.8563 > EELEC = -535.4668 EGB = -21450.6669 RESTRAINT = 2.8750 183c183 < EAMBER (non-restraint) = -2913.0794 > EAMBER (non-restraint) = -12070.5451 185c185 < NMR restraints: Bond = 2.856 Angle = 0. Torsion = 0. > NMR restraints: Bond = 2.875 Angle = 0. Torsion = 0. 187c187 < NSTEP = 10 TIME(PS) = 1.510 TEMP(K) = 299.26 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.510 TEMP(K) = 308.18 PRESS = 0. 188c188 < Etot = -1058.0313 EKtot = 1842.0378 EPtot = -2900.0691 > Etot = -10200.2783 EKtot = 1896.9704 EPtot = -12097.2486 189c189 < BOND = 469.0311 ANGLE = 1485.5309 DIHED = 804.8943 > BOND = 487.5885 ANGLE = 1538.8833 DIHED = 807.3753 190c190 < 1-4 NB = 521.7980 1-4 EEL = 7882.4890 VDWAALS = -1165.5559 > 1-4 NB = 526.7877 1-4 EEL = 7725.9310 VDWAALS = -1162.2517 191c191 < EELEC = -399.6014 EGB = -12501.5820 RESTRAINT = 2.9270 > EELEC = -564.7806 EGB = -21459.7251 RESTRAINT = 2.9429 192c192 < EAMBER (non-restraint) = -2902.9961 > EAMBER (non-restraint) = -12100.1916 194c194 < NMR restraints: Bond = 2.927 Angle = 0. Torsion = 0. > NMR restraints: Bond = 2.943 Angle = 0. Torsion = 0. 196c196 < NSTEP = 11 TIME(PS) = 1.511 TEMP(K) = 298.76 PRESS = 0. > NSTEP = 11 TIME(PS) = 1.511 TEMP(K) = 308.33 PRESS = 0. 197c197 < Etot = -1058.0070 EKtot = 1838.9553 EPtot = -2896.9622 > Etot = -10238.1438 EKtot = 1897.8688 EPtot = -12136.0126 198c198 < BOND = 469.5500 ANGLE = 1489.7313 DIHED = 806.3946 > BOND = 492.3191 ANGLE = 1559.9767 DIHED = 809.6249 199c199 < 1-4 NB = 521.2618 1-4 EEL = 7879.4715 VDWAALS = -1165.0337 > 1-4 NB = 526.7675 1-4 EEL = 7699.0510 VDWAALS = -1160.5649 200c200 < EELEC = -397.8424 EGB = -12503.4895 RESTRAINT = 2.9941 > EELEC = -595.7764 EGB = -21470.4155 RESTRAINT = 3.0049 201c201 < EAMBER (non-restraint) = -2899.9563 > EAMBER (non-restraint) = -12139.0176 203c203 < NMR restraints: Bond = 2.994 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.005 Angle = 0. Torsion = 0. 205c205 < NSTEP = 12 TIME(PS) = 1.512 TEMP(K) = 299.43 PRESS = 0. > NSTEP = 12 TIME(PS) = 1.512 TEMP(K) = 309.63 PRESS = 0. 206c206 < Etot = -1058.1462 EKtot = 1843.0823 EPtot = -2901.2285 > Etot = -10279.2436 EKtot = 1905.8947 EPtot = -12185.1383 207c207 < BOND = 468.3937 ANGLE = 1487.3063 DIHED = 808.0929 > BOND = 495.7758 ANGLE = 1573.6710 DIHED = 812.1367 208c208 < 1-4 NB = 520.6053 1-4 EEL = 7876.3290 VDWAALS = -1164.3725 > 1-4 NB = 526.3891 1-4 EEL = 7673.1063 VDWAALS = -1158.2412 209c209 < EELEC = -395.7879 EGB = -12504.8526 RESTRAINT = 3.0573 > EELEC = -628.2942 EGB = -21482.7426 RESTRAINT = 3.0609 210c210 < EAMBER (non-restraint) = -2904.2859 > EAMBER (non-restraint) = -12188.1992 212c212 < NMR restraints: Bond = 3.057 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.061 Angle = 0. Torsion = 0. 214c214 < NSTEP = 13 TIME(PS) = 1.513 TEMP(K) = 300.92 PRESS = 0. > NSTEP = 13 TIME(PS) = 1.513 TEMP(K) = 311.87 PRESS = 0. 215c215 < Etot = -1058.4025 EKtot = 1852.2620 EPtot = -2910.6645 > Etot = -10323.4481 EKtot = 1919.6852 EPtot = -12243.1332 216c216 < BOND = 465.4879 ANGLE = 1480.2120 DIHED = 809.9617 > BOND = 498.1104 ANGLE = 1580.5499 DIHED = 814.8889 217c217 < 1-4 NB = 519.9838 1-4 EEL = 7873.2874 VDWAALS = -1163.4740 > 1-4 NB = 525.7195 1-4 EEL = 7648.6132 VDWAALS = -1155.2745 218c218 < EELEC = -393.5987 EGB = -12505.6412 RESTRAINT = 3.1165 > EELEC = -662.1531 EGB = -21496.6983 RESTRAINT = 3.1109 219c219 < EAMBER (non-restraint) = -2913.7810 > EAMBER (non-restraint) = -12246.2441 221c221 < NMR restraints: Bond = 3.116 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.111 Angle = 0. Torsion = 0. 223c223 < NSTEP = 14 TIME(PS) = 1.514 TEMP(K) = 302.61 PRESS = 0. > NSTEP = 14 TIME(PS) = 1.514 TEMP(K) = 314.49 PRESS = 0. 224c224 < Etot = -1058.6801 EKtot = 1862.6722 EPtot = -2921.3523 > Etot = -10370.5665 EKtot = 1935.7793 EPtot = -12306.3458 225c225 < BOND = 460.9870 ANGLE = 1471.8585 DIHED = 811.9631 > BOND = 499.7253 ANGLE = 1583.2402 DIHED = 817.8667 226c226 < 1-4 NB = 519.5688 1-4 EEL = 7870.5777 VDWAALS = -1162.1531 > 1-4 NB = 524.8995 1-4 EEL = 7625.8856 VDWAALS = -1151.6577 227c227 < EELEC = -391.4423 EGB = -12505.8832 RESTRAINT = 3.1713 > EELEC = -697.1458 EGB = -21512.3149 RESTRAINT = 3.1553 228c228 < EAMBER (non-restraint) = -2924.5236 > EAMBER (non-restraint) = -12309.5011 230c230 < NMR restraints: Bond = 3.171 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.155 Angle = 0. Torsion = 0. 232c232 < NSTEP = 15 TIME(PS) = 1.515 TEMP(K) = 303.85 PRESS = 0. > NSTEP = 15 TIME(PS) = 1.515 TEMP(K) = 316.79 PRESS = 0. 233c233 < Etot = -1058.8807 EKtot = 1870.2898 EPtot = -2929.1705 > Etot = -10420.3539 EKtot = 1949.9151 EPtot = -12370.2690 234c234 < BOND = 455.2328 ANGLE = 1465.9257 DIHED = 814.0467 > BOND = 501.1104 ANGLE = 1585.3888 DIHED = 821.0512 235c235 < 1-4 NB = 519.4656 1-4 EEL = 7868.4158 VDWAALS = -1160.3458 > 1-4 NB = 524.0676 1-4 EEL = 7605.0356 VDWAALS = -1147.4313 236c236 < EELEC = -389.4911 EGB = -12505.6416 RESTRAINT = 3.2213 > EELEC = -733.0372 EGB = -21529.6489 RESTRAINT = 3.1948 237c237 < EAMBER (non-restraint) = -2932.3918 > EAMBER (non-restraint) = -12373.4638 239c239 < NMR restraints: Bond = 3.221 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.195 Angle = 0. Torsion = 0. 241c241 < NSTEP = 16 TIME(PS) = 1.516 TEMP(K) = 304.19 PRESS = 0. > NSTEP = 16 TIME(PS) = 1.516 TEMP(K) = 318.20 PRESS = 0. 242c242 < Etot = -1058.9450 EKtot = 1872.3681 EPtot = -2931.3131 > Etot = -10476.7315 EKtot = 1958.6359 EPtot = -12435.3674 243c243 < BOND = 448.7201 ANGLE = 1464.9972 DIHED = 816.1524 > BOND = 502.6934 ANGLE = 1590.2153 DIHED = 824.4073 244c244 < 1-4 NB = 519.6718 1-4 EEL = 7866.9776 VDWAALS = -1158.2100 > 1-4 NB = 523.3055 1-4 EEL = 7585.9990 VDWAALS = -1142.7158 245c245 < EELEC = -387.9139 EGB = -12504.9746 RESTRAINT = 3.2662 > EELEC = -769.5769 EGB = -21552.9252 RESTRAINT = 3.2300 246c246 < EAMBER (non-restraint) = -2934.5793 > EAMBER (non-restraint) = -12438.5974 248c248 < NMR restraints: Bond = 3.266 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.230 Angle = 0. Torsion = 0. 250c250 < NSTEP = 17 TIME(PS) = 1.517 TEMP(K) = 303.53 PRESS = 0. > NSTEP = 17 TIME(PS) = 1.517 TEMP(K) = 318.52 PRESS = 0. 251c251 < Etot = -1058.8610 EKtot = 1868.3248 EPtot = -2927.1859 > Etot = -10531.2589 EKtot = 1960.5896 EPtot = -12491.8485 252c252 < BOND = 442.0850 ANGLE = 1469.5509 DIHED = 818.2136 > BOND = 504.7700 ANGLE = 1599.2084 DIHED = 827.8731 253c253 < 1-4 NB = 520.0992 1-4 EEL = 7866.3814 VDWAALS = -1156.0485 > 1-4 NB = 522.6401 1-4 EEL = 7568.5710 VDWAALS = -1137.6916 254c254 < EELEC = -386.8645 EGB = -12503.9087 RESTRAINT = 3.3057 > EELEC = -806.5191 EGB = -21573.9626 RESTRAINT = 3.2620 255c255 < EAMBER (non-restraint) = -2930.4916 > EAMBER (non-restraint) = -12495.1105 257c257 < NMR restraints: Bond = 3.306 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.262 Angle = 0. Torsion = 0. 259c259 < NSTEP = 18 TIME(PS) = 1.518 TEMP(K) = 302.14 PRESS = 0. > NSTEP = 18 TIME(PS) = 1.518 TEMP(K) = 317.93 PRESS = 0. 260c260 < Etot = -1058.6732 EKtot = 1859.7962 EPtot = -2918.4694 > Etot = -10583.0816 EKtot = 1956.9690 EPtot = -12540.0506 261c261 < BOND = 436.0961 ANGLE = 1477.7175 DIHED = 820.1650 > BOND = 507.5196 ANGLE = 1611.5322 DIHED = 831.3597 262c262 < 1-4 NB = 520.6385 1-4 EEL = 7866.6676 VDWAALS = -1154.1606 > 1-4 NB = 522.0908 1-4 EEL = 7552.4437 VDWAALS = -1132.5416 263c263 < EELEC = -386.4624 EGB = -12502.4709 RESTRAINT = 3.3398 > EELEC = -843.6261 EGB = -21592.1212 RESTRAINT = 3.2922 264c264 < EAMBER (non-restraint) = -2921.8092 > EAMBER (non-restraint) = -12543.3428 266c266 < NMR restraints: Bond = 3.340 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.292 Angle = 0. Torsion = 0. 268c268 < NSTEP = 19 TIME(PS) = 1.519 TEMP(K) = 300.54 PRESS = 0. > NSTEP = 19 TIME(PS) = 1.519 TEMP(K) = 316.95 PRESS = 0. 269c269 < Etot = -1058.4593 EKtot = 1849.8965 EPtot = -2908.3558 > Etot = -10638.9962 EKtot = 1950.9314 EPtot = -12589.9276 270c270 < BOND = 431.5901 ANGLE = 1485.9317 DIHED = 821.9528 > BOND = 511.0495 ANGLE = 1624.4111 DIHED = 834.7611 271c271 < 1-4 NB = 521.2221 1-4 EEL = 7867.7943 VDWAALS = -1152.7229 > 1-4 NB = 521.7212 1-4 EEL = 7537.2479 VDWAALS = -1127.3972 272c272 < EELEC = -386.7789 EGB = -12500.7139 RESTRAINT = 3.3689 > EELEC = -880.7383 EGB = -21614.3055 RESTRAINT = 3.3226 273c273 < EAMBER (non-restraint) = -2911.7247 > EAMBER (non-restraint) = -12593.2503 275c275 < NMR restraints: Bond = 3.369 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.323 Angle = 0. Torsion = 0. 277c277 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 299.26 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 316.21 PRESS = 0. 278c278 < Etot = -1058.2931 EKtot = 1842.0365 EPtot = -2900.3295 > Etot = -10694.7789 EKtot = 1946.3452 EPtot = -12641.1241 279c279 < BOND = 429.3166 ANGLE = 1490.2372 DIHED = 823.5420 > BOND = 515.3978 ANGLE = 1634.3321 DIHED = 837.9725 280c280 < 1-4 NB = 521.8518 1-4 EEL = 7869.6429 VDWAALS = -1151.7601 > 1-4 NB = 521.6606 1-4 EEL = 7522.5885 VDWAALS = -1122.3388 281c281 < EELEC = -387.8252 EGB = -12498.7288 RESTRAINT = 3.3941 > EELEC = -917.8068 EGB = -21636.2858 RESTRAINT = 3.3557 282c282 < EAMBER (non-restraint) = -2903.7236 > EAMBER (non-restraint) = -12644.4798 284c284 < NMR restraints: Bond = 3.394 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.356 Angle = 0. Torsion = 0. 287c287 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 302.93 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 311.42 PRESS = 0. 288c288 < Etot = -1058.4843 EKtot = 1864.6407 EPtot = -2923.1250 > Etot = -10269.3107 EKtot = 1916.8918 EPtot = -12186.2025 289c289 < BOND = 454.0361 ANGLE = 1461.2071 DIHED = 808.3997 > BOND = 483.2000 ANGLE = 1526.0433 DIHED = 812.8133 290c290 < 1-4 NB = 522.1933 1-4 EEL = 7878.5646 VDWAALS = -1159.8473 > 1-4 NB = 525.0784 1-4 EEL = 7712.7220 VDWAALS = -1151.4529 291c291 < EELEC = -393.2723 EGB = -12497.3091 RESTRAINT = 2.9029 > EELEC = -606.0157 EGB = -21491.4871 RESTRAINT = 2.8962 292c292 < EAMBER (non-restraint) = -2926.0279 > EAMBER (non-restraint) = -12189.0987 294c294 < NMR restraints: Bond = 3.394 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.356 Angle = 0. Torsion = 0. 297c297 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 2.81 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 4.82 PRESS = 0. 298c298 < Etot = 0.3118 EKtot = 17.2751 EPtot = 17.4960 > Etot = 218.2462 EKtot = 29.6737 EPtot = 244.4300 299c299 < BOND = 12.0784 ANGLE = 23.7933 DIHED = 7.8157 > BOND = 22.4034 ANGLE = 75.0594 DIHED = 12.3643 300c300 < 1-4 NB = 2.2285 1-4 EEL = 8.7734 VDWAALS = 5.0377 > 1-4 NB = 1.7699 1-4 EEL = 123.5672 VDWAALS = 12.2697 301c301 < EELEC = 5.9566 EGB = 7.8202 RESTRAINT = 0.3698 > EELEC = 169.8669 EGB = 67.1406 RESTRAINT = 0.3532 302c302 < EAMBER (non-restraint) = 17.1262 > EAMBER (non-restraint) = 244.0768 311c311 < CD2 LEU 72 -- *CG2 VAL 68: 5.760 6.340 0.580 3.361 d 0: 0 > CD2 LEU 72 -- *CG2 VAL 68: 5.763 6.340 0.577 3.330 d 0: 0 312c312 < Total distance penalty: 3.417 > Total distance penalty: 3.395 ### Maximum absolute error in matching lines = 9.74e+03 at line 282 field 4 ### Maximum relative error in matching lines = 6.99e+02 at line 298 field 3 --------------------------------------- possible FAILURE: check distr6av_gb_vs_t.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/distance_COM 2c2 < 2 5.481 5.852 > 2 5.481 5.851 3c3 < 4 5.469 5.836 > 4 5.469 5.835 4c4 < 6 5.459 5.822 > 6 5.459 5.820 5c5 < 8 5.452 5.808 > 8 5.452 5.807 6c6 < 10 5.449 5.796 > 10 5.448 5.795 8c8 < 14 5.448 5.776 > 14 5.449 5.778 9c9 < 16 5.448 5.768 > 16 5.448 5.772 10c10 < 18 5.445 5.763 > 18 5.444 5.767 ### Maximum absolute error in matching lines = 4.00e-03 at line 9 field 3 ### Maximum relative error in matching lines = 6.93e-04 at line 9 field 3 --------------------------------------- possible FAILURE: check mdout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/jar_distance_COM 104c104 < NSTEP = 1 TIME(PS) = 1.501 TEMP(K) = 301.94 PRESS = 0. > NSTEP = 1 TIME(PS) = 1.501 TEMP(K) = 301.66 PRESS = 0. 105c105 < Etot = -1060.1470 EKtot = 1858.5403 EPtot = -2918.6873 > Etot = -10007.2852 EKtot = 1856.7932 EPtot = -11864.0784 108c108 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 0.0002 > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 0.0002 109c109 < EAMBER (non-restraint) = -2918.6875 > EAMBER (non-restraint) = -11864.0786 113c113 < NSTEP = 2 TIME(PS) = 1.502 TEMP(K) = 303.86 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.502 TEMP(K) = 303.34 PRESS = 0. 114c114 < Etot = -1060.3475 EKtot = 1870.3747 EPtot = -2930.7221 > Etot = -10015.1542 EKtot = 1867.1265 EPtot = -11882.2806 115c115 < BOND = 448.2492 ANGLE = 1434.6925 DIHED = 800.5178 > BOND = 448.4239 ANGLE = 1434.9436 DIHED = 800.4975 116c116 < 1-4 NB = 526.4558 1-4 EEL = 7884.7306 VDWAALS = -1153.5708 > 1-4 NB = 526.7343 1-4 EEL = 7880.2297 VDWAALS = -1153.2481 117c117 < EELEC = -387.6209 EGB = -12484.2049 RESTRAINT = 0.0284 > EELEC = -391.5686 EGB = -21428.3215 RESTRAINT = 0.0285 118c118 < EAMBER (non-restraint) = -2930.7506 > EAMBER (non-restraint) = -11882.3092 120c120 < NMR restraints: Bond = 0.028 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.029 Angle = 0. Torsion = 0. 122c122 < NSTEP = 3 TIME(PS) = 1.503 TEMP(K) = 305.92 PRESS = 0. > NSTEP = 3 TIME(PS) = 1.503 TEMP(K) = 305.80 PRESS = 0. 123c123 < Etot = -1060.5378 EKtot = 1883.0532 EPtot = -2943.5910 > Etot = -10026.8906 EKtot = 1882.2988 EPtot = -11909.1893 124c124 < BOND = 450.5072 ANGLE = 1425.6353 DIHED = 800.7337 > BOND = 451.1402 ANGLE = 1426.0781 DIHED = 800.7095 125c125 < 1-4 NB = 525.6442 1-4 EEL = 7887.1686 VDWAALS = -1156.3678 > 1-4 NB = 526.3891 1-4 EEL = 7873.8200 VDWAALS = -1155.6057 126c126 < EELEC = -392.1415 EGB = -12484.8933 RESTRAINT = 0.1226 > EELEC = -404.0078 EGB = -21427.8360 RESTRAINT = 0.1231 127c127 < EAMBER (non-restraint) = -2943.7136 > EAMBER (non-restraint) = -11909.3124 131c131 < NSTEP = 4 TIME(PS) = 1.504 TEMP(K) = 307.49 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.504 TEMP(K) = 308.39 PRESS = 0. 132c132 < Etot = -1060.6360 EKtot = 1892.7302 EPtot = -2953.3662 > Etot = -10042.1824 EKtot = 1898.2603 EPtot = -11940.4428 133c133 < BOND = 452.8697 ANGLE = 1420.5901 DIHED = 800.8665 > BOND = 454.3887 ANGLE = 1421.4928 DIHED = 800.8924 134c134 < 1-4 NB = 524.6757 1-4 EEL = 7888.8446 VDWAALS = -1159.2744 > 1-4 NB = 525.9815 1-4 EEL = 7862.5991 VDWAALS = -1158.0983 135c135 < EELEC = -395.9138 EGB = -12486.3070 RESTRAINT = 0.2824 > EELEC = -419.6078 EGB = -21428.3748 RESTRAINT = 0.2836 136c136 < EAMBER (non-restraint) = -2953.6486 > EAMBER (non-restraint) = -11940.7264 138c138 < NMR restraints: Bond = 0.282 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.284 Angle = 0. Torsion = 0. 140c140 < NSTEP = 5 TIME(PS) = 1.505 TEMP(K) = 308.07 PRESS = 0. > NSTEP = 5 TIME(PS) = 1.505 TEMP(K) = 310.43 PRESS = 0. 141c141 < Etot = -1060.5775 EKtot = 1896.2477 EPtot = -2956.8253 > Etot = -10060.7748 EKtot = 1910.7993 EPtot = -11971.5741 142c142 < BOND = 455.3856 ANGLE = 1421.7996 DIHED = 801.0204 > BOND = 458.3505 ANGLE = 1424.2833 DIHED = 801.1812 143c143 < 1-4 NB = 523.7539 1-4 EEL = 7889.6996 VDWAALS = -1161.8602 > 1-4 NB = 525.6463 1-4 EEL = 7846.9432 VDWAALS = -1160.3629 144c144 < EELEC = -398.7785 EGB = -12488.3531 RESTRAINT = 0.5074 > EELEC = -438.0665 EGB = -21430.0591 RESTRAINT = 0.5100 145c145 < EAMBER (non-restraint) = -2957.3327 > EAMBER (non-restraint) = -11972.0841 147c147 < NMR restraints: Bond = 0.507 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.510 Angle = 0. Torsion = 0. 149c149 < NSTEP = 6 TIME(PS) = 1.506 TEMP(K) = 307.40 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.506 TEMP(K) = 311.43 PRESS = 0. 150c150 < Etot = -1060.3128 EKtot = 1892.1721 EPtot = -2952.4848 > Etot = -10082.4975 EKtot = 1916.9783 EPtot = -11999.4758 151c151 < BOND = 458.1694 ANGLE = 1429.8523 DIHED = 801.3063 > BOND = 463.2151 ANGLE = 1436.1152 DIHED = 801.7070 152c152 < 1-4 NB = 523.0469 1-4 EEL = 7889.7175 VDWAALS = -1163.8527 > 1-4 NB = 525.5235 1-4 EEL = 7827.4048 VDWAALS = -1162.1263 153c153 < EELEC = -400.6629 EGB = -12490.8590 RESTRAINT = 0.7974 > EELEC = -459.1036 EGB = -21433.0133 RESTRAINT = 0.8016 154c154 < EAMBER (non-restraint) = -2953.2823 > EAMBER (non-restraint) = -12000.2775 156c156 < NMR restraints: Bond = 0.797 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.802 Angle = 0. Torsion = 0. 158c158 < NSTEP = 7 TIME(PS) = 1.507 TEMP(K) = 305.65 PRESS = 0. > NSTEP = 7 TIME(PS) = 1.507 TEMP(K) = 311.30 PRESS = 0. 159c159 < Etot = -1059.8482 EKtot = 1881.3680 EPtot = -2941.2162 > Etot = -10107.2819 EKtot = 1916.1333 EPtot = -12023.4151 160c160 < BOND = 461.2276 ANGLE = 1443.4332 DIHED = 801.8110 > BOND = 468.9782 ANGLE = 1456.5995 DIHED = 802.5666 161c161 < 1-4 NB = 522.6076 1-4 EEL = 7888.9213 VDWAALS = -1165.1515 > 1-4 NB = 525.6754 1-4 EEL = 7804.6864 VDWAALS = -1163.2327 162c162 < EELEC = -401.5799 EGB = -12493.6372 RESTRAINT = 1.1518 > EELEC = -482.4750 EGB = -21437.3716 RESTRAINT = 1.1579 163c163 < EAMBER (non-restraint) = -2942.3680 > EAMBER (non-restraint) = -12024.5731 165c165 < NMR restraints: Bond = 1.152 Angle = 0. Torsion = 0. > NMR restraints: Bond = 1.158 Angle = 0. Torsion = 0. 167c167 < NSTEP = 8 TIME(PS) = 1.508 TEMP(K) = 303.28 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.508 TEMP(K) = 310.31 PRESS = 0. 168c168 < Etot = -1059.2426 EKtot = 1866.7763 EPtot = -2926.0189 > Etot = -10135.1163 EKtot = 1910.0736 EPtot = -12045.1899 169c169 < BOND = 464.3521 ANGLE = 1459.6426 DIHED = 802.5780 > BOND = 475.3388 ANGLE = 1483.2659 DIHED = 803.8048 170c170 < 1-4 NB = 522.3538 1-4 EEL = 7887.3783 VDWAALS = -1165.7862 > 1-4 NB = 526.0438 1-4 EEL = 7779.6117 VDWAALS = -1163.6187 171c171 < EELEC = -401.6172 EGB = -12496.4903 RESTRAINT = 1.5699 > EELEC = -507.9844 EGB = -21443.2300 RESTRAINT = 1.5782 172c172 < EAMBER (non-restraint) = -2927.5888 > EAMBER (non-restraint) = -12046.7681 174c174 < NMR restraints: Bond = 1.570 Angle = 0. Torsion = 0. > NMR restraints: Bond = 1.578 Angle = 0. Torsion = 0. 176c176 < NSTEP = 9 TIME(PS) = 1.509 TEMP(K) = 300.96 PRESS = 0. > NSTEP = 9 TIME(PS) = 1.509 TEMP(K) = 309.07 PRESS = 0. 177c177 < Etot = -1058.5771 EKtot = 1852.4925 EPtot = -2911.0696 > Etot = -10166.0561 EKtot = 1902.4344 EPtot = -12068.4905 178c178 < BOND = 467.1246 ANGLE = 1474.8042 DIHED = 803.6106 > BOND = 481.7442 ANGLE = 1512.1664 DIHED = 805.4173 179c179 < 1-4 NB = 522.1225 1-4 EEL = 7885.1938 VDWAALS = -1165.8699 > 1-4 NB = 526.4663 1-4 EEL = 7753.0700 VDWAALS = -1163.2813 180c180 < EELEC = -400.9058 EGB = -12499.2006 RESTRAINT = 2.0511 > EELEC = -535.4691 EGB = -21450.6657 RESTRAINT = 2.0615 181c181 < EAMBER (non-restraint) = -2913.1207 > EAMBER (non-restraint) = -12070.5519 183c183 < NMR restraints: Bond = 2.051 Angle = 0. Torsion = 0. > NMR restraints: Bond = 2.061 Angle = 0. Torsion = 0. 185c185 < NSTEP = 10 TIME(PS) = 1.510 TEMP(K) = 299.34 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.510 TEMP(K) = 308.26 PRESS = 0. 186c186 < Etot = -1057.9322 EKtot = 1842.5053 EPtot = -2900.4375 > Etot = -10200.1727 EKtot = 1897.4165 EPtot = -12097.5892 187c187 < BOND = 469.0202 ANGLE = 1485.5269 DIHED = 804.8891 > BOND = 487.5632 ANGLE = 1538.9377 DIHED = 807.3691 188c188 < 1-4 NB = 521.7631 1-4 EEL = 7882.5092 VDWAALS = -1165.5682 > 1-4 NB = 526.7403 1-4 EEL = 7725.9515 VDWAALS = -1162.2507 189c189 < EELEC = -399.5945 EGB = -12501.5780 RESTRAINT = 2.5946 > EELEC = -564.7831 EGB = -21459.7240 RESTRAINT = 2.6068 190c190 < EAMBER (non-restraint) = -2903.0320 > EAMBER (non-restraint) = -12100.1960 192c192 < NMR restraints: Bond = 2.595 Angle = 0. Torsion = 0. > NMR restraints: Bond = 2.607 Angle = 0. Torsion = 0. 194c194 < NSTEP = 11 TIME(PS) = 1.511 TEMP(K) = 298.83 PRESS = 0. > NSTEP = 11 TIME(PS) = 1.511 TEMP(K) = 308.40 PRESS = 0. 195c195 < Etot = -1057.3705 EKtot = 1839.4161 EPtot = -2896.7866 > Etot = -10237.4996 EKtot = 1898.3161 EPtot = -12135.8158 196c196 < BOND = 469.5584 ANGLE = 1489.7244 DIHED = 806.3890 > BOND = 492.3035 ANGLE = 1560.0231 DIHED = 809.6174 197c197 < 1-4 NB = 521.2181 1-4 EEL = 7879.4977 VDWAALS = -1165.0520 > 1-4 NB = 526.7067 1-4 EEL = 7699.0777 VDWAALS = -1160.5637 198c198 < EELEC = -397.8353 EGB = -12503.4863 RESTRAINT = 3.1993 > EELEC = -595.7790 EGB = -21470.4145 RESTRAINT = 3.2130 199c199 < EAMBER (non-restraint) = -2899.9859 > EAMBER (non-restraint) = -12139.0287 201c201 < NMR restraints: Bond = 3.199 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.213 Angle = 0. Torsion = 0. 203c203 < NSTEP = 12 TIME(PS) = 1.512 TEMP(K) = 299.50 PRESS = 0. > NSTEP = 12 TIME(PS) = 1.512 TEMP(K) = 309.71 PRESS = 0. 204c204 < Etot = -1056.9162 EKtot = 1843.5315 EPtot = -2900.4477 > Etot = -10278.0048 EKtot = 1906.3478 EPtot = -12184.3525 205c205 < BOND = 468.4292 ANGLE = 1487.2872 DIHED = 808.0866 > BOND = 495.7741 ANGLE = 1573.6915 DIHED = 812.1278 206c206 < 1-4 NB = 520.5519 1-4 EEL = 7876.3620 VDWAALS = -1164.3972 > 1-4 NB = 526.3138 1-4 EEL = 7673.1399 VDWAALS = -1158.2397 207c207 < EELEC = -395.7808 EGB = -12504.8507 RESTRAINT = 3.8641 > EELEC = -628.2967 EGB = -21482.7419 RESTRAINT = 3.8787 208c208 < EAMBER (non-restraint) = -2904.3118 > EAMBER (non-restraint) = -12188.2313 210c210 < NMR restraints: Bond = 3.864 Angle = 0. Torsion = 0. > NMR restraints: Bond = 3.879 Angle = 0. Torsion = 0. 212c212 < NSTEP = 13 TIME(PS) = 1.513 TEMP(K) = 300.99 PRESS = 0. > NSTEP = 13 TIME(PS) = 1.513 TEMP(K) = 311.95 PRESS = 0. 213c213 < Etot = -1056.5233 EKtot = 1852.6992 EPtot = -2909.2225 > Etot = -10321.5589 EKtot = 1920.1531 EPtot = -12241.7120 214c214 < BOND = 465.5549 ANGLE = 1480.1700 DIHED = 809.9548 > BOND = 498.1233 ANGLE = 1580.5266 DIHED = 814.8782 215c215 < 1-4 NB = 519.9200 1-4 EEL = 7873.3279 VDWAALS = -1163.5049 > 1-4 NB = 525.6294 1-4 EEL = 7648.6544 VDWAALS = -1155.2728 216c216 < EELEC = -393.5915 EGB = -12505.6411 RESTRAINT = 4.5875 > EELEC = -662.1555 EGB = -21496.6980 RESTRAINT = 4.6024 217c217 < EAMBER (non-restraint) = -2913.8099 > EAMBER (non-restraint) = -12246.3144 219c219 < NMR restraints: Bond = 4.587 Angle = 0. Torsion = 0. > NMR restraints: Bond = 4.602 Angle = 0. Torsion = 0. 221c221 < NSTEP = 14 TIME(PS) = 1.514 TEMP(K) = 302.68 PRESS = 0. > NSTEP = 14 TIME(PS) = 1.514 TEMP(K) = 314.57 PRESS = 0. 222c222 < Etot = -1056.0962 EKtot = 1863.1008 EPtot = -2919.1970 > Etot = -10367.9718 EKtot = 1936.2730 EPtot = -12304.2449 223c223 < BOND = 461.0852 ANGLE = 1471.7845 DIHED = 811.9555 > BOND = 499.7491 ANGLE = 1583.1585 DIHED = 817.8540 224c224 < 1-4 NB = 519.4943 1-4 EEL = 7870.6262 VDWAALS = -1162.1897 > 1-4 NB = 524.7952 1-4 EEL = 7625.9350 VDWAALS = -1151.6558 225c225 < EELEC = -391.4352 EGB = -12505.8851 RESTRAINT = 5.3674 > EELEC = -697.1478 EGB = -21512.3151 RESTRAINT = 5.3821 226c226 < EAMBER (non-restraint) = -2924.5644 > EAMBER (non-restraint) = -12309.6269 228c228 < NMR restraints: Bond = 5.367 Angle = 0. Torsion = 0. > NMR restraints: Bond = 5.382 Angle = 0. Torsion = 0. 230c230 < NSTEP = 15 TIME(PS) = 1.515 TEMP(K) = 303.92 PRESS = 0. > NSTEP = 15 TIME(PS) = 1.515 TEMP(K) = 316.87 PRESS = 0. 231c231 < Etot = -1055.5373 EKtot = 1870.7141 EPtot = -2926.2514 > Etot = -10416.9991 EKtot = 1950.4439 EPtot = -12367.4430 232c232 < BOND = 455.3567 ANGLE = 1465.8150 DIHED = 814.0389 > BOND = 501.1367 ANGLE = 1585.2420 DIHED = 821.0365 233c233 < 1-4 NB = 519.3805 1-4 EEL = 7868.4727 VDWAALS = -1160.3868 > 1-4 NB = 523.9505 1-4 EEL = 7605.0935 VDWAALS = -1147.4291 234c234 < EELEC = -389.4841 EGB = -12505.6457 RESTRAINT = 6.2015 > EELEC = -733.0388 EGB = -21529.6498 RESTRAINT = 6.2155 235c235 < EAMBER (non-restraint) = -2932.4529 > EAMBER (non-restraint) = -12373.6585 237c237 < NMR restraints: Bond = 6.201 Angle = 0. Torsion = 0. > NMR restraints: Bond = 6.216 Angle = 0. Torsion = 0. 239c239 < NSTEP = 16 TIME(PS) = 1.516 TEMP(K) = 304.26 PRESS = 0. > NSTEP = 16 TIME(PS) = 1.516 TEMP(K) = 318.29 PRESS = 0. 240c240 < Etot = -1054.7877 EKtot = 1872.7899 EPtot = -2927.5776 > Etot = -10472.5623 EKtot = 1959.2026 EPtot = -12431.7650 241c241 < BOND = 448.8594 ANGLE = 1464.8525 DIHED = 816.1448 > BOND = 502.7102 ANGLE = 1590.0080 DIHED = 824.3908 242c242 < 1-4 NB = 519.5769 1-4 EEL = 7867.0434 VDWAALS = -1158.2535 > 1-4 NB = 523.1780 1-4 EEL = 7586.0659 VDWAALS = -1142.7135 243c243 < EELEC = -387.9070 EGB = -12504.9810 RESTRAINT = 7.0869 > EELEC = -769.5780 EGB = -21552.9267 RESTRAINT = 7.1004 244c244 < EAMBER (non-restraint) = -2934.6645 > EAMBER (non-restraint) = -12438.8653 246c246 < NMR restraints: Bond = 7.087 Angle = 0. Torsion = 0. > NMR restraints: Bond = 7.100 Angle = 0. Torsion = 0. 248c248 < NSTEP = 17 TIME(PS) = 1.517 TEMP(K) = 303.60 PRESS = 0. > NSTEP = 17 TIME(PS) = 1.517 TEMP(K) = 318.62 PRESS = 0. 249c249 < Etot = -1053.8360 EKtot = 1868.7393 EPtot = -2922.5753 > Etot = -10526.2215 EKtot = 1961.1871 EPtot = -12487.4086 250c250 < BOND = 442.2267 ANGLE = 1469.3853 DIHED = 818.2072 > BOND = 504.7640 ANGLE = 1598.9591 DIHED = 827.8556 251c251 < 1-4 NB = 519.9956 1-4 EEL = 7866.4563 VDWAALS = -1156.0922 > 1-4 NB = 522.5051 1-4 EEL = 7568.6471 VDWAALS = -1137.6891 252c252 < EELEC = -386.8578 EGB = -12503.9173 RESTRAINT = 8.0209 > EELEC = -806.5197 EGB = -21573.9649 RESTRAINT = 8.0342 253c253 < EAMBER (non-restraint) = -2930.5962 > EAMBER (non-restraint) = -12495.4427 255c255 < NMR restraints: Bond = 8.021 Angle = 0. Torsion = 0. > NMR restraints: Bond = 8.034 Angle = 0. Torsion = 0. 257c257 < NSTEP = 18 TIME(PS) = 1.518 TEMP(K) = 302.21 PRESS = 0. > NSTEP = 18 TIME(PS) = 1.518 TEMP(K) = 318.03 PRESS = 0. 258c258 < Etot = -1052.7269 EKtot = 1860.1894 EPtot = -2912.9163 > Etot = -10577.1225 EKtot = 1957.5781 EPtot = -12534.7006 259c259 < BOND = 436.2259 ANGLE = 1477.5558 DIHED = 820.1610 > BOND = 507.4778 ANGLE = 1611.2733 DIHED = 831.3422 260c260 < 1-4 NB = 520.5277 1-4 EEL = 7866.7519 VDWAALS = -1154.2015 > 1-4 NB = 521.9514 1-4 EEL = 7552.5294 VDWAALS = -1132.5389 261c261 < EELEC = -386.4561 EGB = -12502.4815 RESTRAINT = 9.0006 > EELEC = -843.6262 EGB = -21592.1243 RESTRAINT = 9.0148 262c262 < EAMBER (non-restraint) = -2921.9169 > EAMBER (non-restraint) = -12543.7153 264c264 < NMR restraints: Bond = 9.001 Angle = 0. Torsion = 0. > NMR restraints: Bond = 9.015 Angle = 0. Torsion = 0. 266c266 < NSTEP = 19 TIME(PS) = 1.519 TEMP(K) = 300.59 PRESS = 0. > NSTEP = 19 TIME(PS) = 1.519 TEMP(K) = 317.05 PRESS = 0. 267c267 < Etot = -1051.5388 EKtot = 1850.2455 EPtot = -2901.7843 > Etot = -10632.0622 EKtot = 1951.5231 EPtot = -12583.5853 268c268 < BOND = 431.6948 ANGLE = 1485.8083 DIHED = 821.9525 > BOND = 510.9618 ANGLE = 1624.1858 DIHED = 834.7446 269c269 < 1-4 NB = 521.1056 1-4 EEL = 7867.8881 VDWAALS = -1152.7579 > 1-4 NB = 521.5801 1-4 EEL = 7537.3435 VDWAALS = -1127.3944 270c270 < EELEC = -386.7733 EGB = -12500.7261 RESTRAINT = 10.0235 > EELEC = -880.7379 EGB = -21614.3093 RESTRAINT = 10.0405 271c271 < EAMBER (non-restraint) = -2911.8079 > EAMBER (non-restraint) = -12593.6258 273c273 < NMR restraints: Bond = 10.024 Angle = 0. Torsion = 0. > NMR restraints: Bond = 10.041 Angle = 0. Torsion = 0. 275c275 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 299.30 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 316.29 PRESS = 0. 276c276 < Etot = -1050.3456 EKtot = 1842.3131 EPtot = -2892.6588 > Etot = -10686.8171 EKtot = 1946.8857 EPtot = -12633.7029 277c277 < BOND = 429.3859 ANGLE = 1490.1917 DIHED = 823.5467 > BOND = 515.2587 ANGLE = 1634.1877 DIHED = 837.9583 278c278 < 1-4 NB = 521.7309 1-4 EEL = 7869.7466 VDWAALS = -1151.7859 > 1-4 NB = 521.5196 1-4 EEL = 7522.6945 VDWAALS = -1122.3359 279c279 < EELEC = -387.8204 EGB = -12498.7424 RESTRAINT = 11.0881 > EELEC = -917.8060 EGB = -21636.2900 RESTRAINT = 11.1104 280c280 < EAMBER (non-restraint) = -2903.7469 > EAMBER (non-restraint) = -12644.8132 282c282 < NMR restraints: Bond = 11.088 Angle = 0. Torsion = 0. > NMR restraints: Bond = 11.110 Angle = 0. Torsion = 0. 285c285 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 302.99 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 311.49 PRESS = 0. 286c286 < Etot = -1057.1919 EKtot = 1865.0000 EPtot = -2922.1918 > Etot = -10268.0116 EKtot = 1917.3112 EPtot = -12185.3228 287c287 < BOND = 454.0777 ANGLE = 1461.1568 DIHED = 808.3960 > BOND = 483.1837 ANGLE = 1525.9862 DIHED = 812.8051 288c288 < 1-4 NB = 522.1438 1-4 EEL = 7878.5990 VDWAALS = -1159.8649 > 1-4 NB = 525.0141 1-4 EEL = 7712.7571 VDWAALS = -1151.4517 289c289 < EELEC = -393.2672 EGB = -12497.3104 RESTRAINT = 3.8773 > EELEC = -606.0169 EGB = -21491.4875 RESTRAINT = 3.8872 290c290 < EAMBER (non-restraint) = -2926.0691 > EAMBER (non-restraint) = -12189.2100 292c292 < NMR restraints: Bond = 11.088 Angle = 0. Torsion = 0. > NMR restraints: Bond = 11.110 Angle = 0. Torsion = 0. 295c295 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 2.80 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 4.84 PRESS = 0. 296c296 < Etot = 3.1383 EKtot = 17.2438 EPtot = 19.1327 > Etot = 215.0569 EKtot = 29.8128 EPtot = 241.3844 297c297 < BOND = 12.0476 ANGLE = 23.7740 DIHED = 7.8155 > BOND = 22.3897 ANGLE = 74.9904 DIHED = 12.3585 298c298 < 1-4 NB = 2.2609 1-4 EEL = 8.7426 VDWAALS = 5.0339 > 1-4 NB = 1.8158 1-4 EEL = 123.5342 VDWAALS = 12.2705 299c299 < EELEC = 5.9561 EGB = 7.8221 RESTRAINT = 3.5179 > EELEC = 169.8667 EGB = 67.1421 RESTRAINT = 3.5235 300c300 < EAMBER (non-restraint) = 15.6148 > EAMBER (non-restraint) = 237.8608 309c309 < CD2 LEU 72 -- *CG2 VAL 68: 6.236 7.340 1.104 12.193 d 0: 0 > CD2 LEU 72 -- *CG2 VAL 68: 6.234 7.340 1.106 12.224 d 0: 0 310c310 < Total distance penalty: 12.193 > Total distance penalty: 12.224 ### Maximum absolute error in matching lines = 9.74e+03 at line 280 field 4 ### Maximum relative error in matching lines = 6.75e+01 at line 296 field 3 --------------------------------------- possible FAILURE: check distCOM_gb_vs_t.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/jar_distance_COM 2c2 < 6.44000 6.32928 2.21444 0.10662 > 6.44000 6.32907 2.21862 0.10680 3c3 < 6.54000 6.31473 4.50531 0.44266 > 6.54000 6.31417 4.51656 0.44360 4c4 < 6.64000 6.30062 6.78757 1.00737 > 6.64000 6.29971 6.80571 1.00979 5c5 < 6.74000 6.28711 9.05786 1.79972 > 6.74000 6.28597 9.08068 1.80421 6c6 < 6.84000 6.27438 11.31248 2.81835 > 6.84000 6.27317 11.33664 2.82521 7c7 < 6.94000 6.26269 13.54616 4.06144 > 6.94000 6.26159 13.56819 4.07063 8c8 < 7.04000 6.25251 15.74987 5.52646 > 7.04000 6.25161 15.76772 5.53765 9c9 < 7.14000 6.24441 17.91189 7.20985 > 7.14000 6.24366 17.92670 7.22265 10c10 < 7.24000 6.23882 20.02352 9.10694 > 7.24000 6.23798 20.04047 9.12129 ### Maximum absolute error in matching lines = 1.21e-03 at line 6 field 2 ### Maximum relative error in matching lines = 1.93e-04 at line 6 field 2 --------------------------------------- possible FAILURE: check mdout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/jar_distance 102c102 < NSTEP = 1 TIME(PS) = 1.501 TEMP(K) = 301.94 PRESS = 0. > NSTEP = 1 TIME(PS) = 1.501 TEMP(K) = 301.66 PRESS = 0. 103c103 < Etot = -1060.1432 EKtot = 1858.5426 EPtot = -2918.6858 > Etot = -10007.2814 EKtot = 1856.7956 EPtot = -11864.0770 106c106 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 0.0016 > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 0.0016 107c107 < EAMBER (non-restraint) = -2918.6875 > EAMBER (non-restraint) = -11864.0786 111c111 < NSTEP = 2 TIME(PS) = 1.502 TEMP(K) = 303.86 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.502 TEMP(K) = 303.33 PRESS = 0. 112c112 < Etot = -1060.1251 EKtot = 1870.3501 EPtot = -2930.4752 > Etot = -10014.9316 EKtot = 1867.1016 EPtot = -11882.0332 113c113 < BOND = 448.2492 ANGLE = 1434.6924 DIHED = 800.5178 > BOND = 448.4239 ANGLE = 1434.9435 DIHED = 800.4975 114c114 < 1-4 NB = 526.4558 1-4 EEL = 7884.7307 VDWAALS = -1153.5707 > 1-4 NB = 526.7343 1-4 EEL = 7880.2298 VDWAALS = -1153.2481 115c115 < EELEC = -387.6209 EGB = -12484.2048 RESTRAINT = 0.2753 > EELEC = -391.5686 EGB = -21428.3215 RESTRAINT = 0.2759 116c116 < EAMBER (non-restraint) = -2930.7505 > EAMBER (non-restraint) = -11882.3091 118c118 < NMR restraints: Bond = 0.275 Angle = 0. Torsion = 0. > NMR restraints: Bond = 0.276 Angle = 0. Torsion = 0. 120c120 < NSTEP = 3 TIME(PS) = 1.503 TEMP(K) = 305.91 PRESS = 0. > NSTEP = 3 TIME(PS) = 1.503 TEMP(K) = 305.78 PRESS = 0. 121c121 < Etot = -1059.5904 EKtot = 1882.9538 EPtot = -2942.5442 > Etot = -10025.9421 EKtot = 1882.1972 EPtot = -11908.1393 122c122 < BOND = 450.5069 ANGLE = 1425.6354 DIHED = 800.7335 > BOND = 451.1400 ANGLE = 1426.0781 DIHED = 800.7093 123c123 < 1-4 NB = 525.6443 1-4 EEL = 7887.1674 VDWAALS = -1156.3686 > 1-4 NB = 526.3892 1-4 EEL = 7873.8189 VDWAALS = -1155.6057 124c124 < EELEC = -392.1408 EGB = -12484.8936 RESTRAINT = 1.1713 > EELEC = -404.0080 EGB = -21427.8358 RESTRAINT = 1.1746 125c125 < EAMBER (non-restraint) = -2943.7154 > EAMBER (non-restraint) = -11909.3139 127c127 < NMR restraints: Bond = 1.171 Angle = 0. Torsion = 0. > NMR restraints: Bond = 1.175 Angle = 0. Torsion = 0. 129c129 < NSTEP = 4 TIME(PS) = 1.504 TEMP(K) = 307.47 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.504 TEMP(K) = 308.36 PRESS = 0. 130c130 < Etot = -1058.4689 EKtot = 1892.5528 EPtot = -2951.0216 > Etot = -10040.0123 EKtot = 1898.0775 EPtot = -11938.0897 131c131 < BOND = 452.8687 ANGLE = 1420.5871 DIHED = 800.8655 > BOND = 454.3875 ANGLE = 1421.4885 DIHED = 800.8914 132c132 < 1-4 NB = 524.6766 1-4 EEL = 7888.8394 VDWAALS = -1159.2781 > 1-4 NB = 525.9825 1-4 EEL = 7862.5938 VDWAALS = -1158.0984 133c133 < EELEC = -395.9108 EGB = -12486.3082 RESTRAINT = 2.6382 > EELEC = -419.6087 EGB = -21428.3738 RESTRAINT = 2.6474 134c134 < EAMBER (non-restraint) = -2953.6598 > EAMBER (non-restraint) = -11940.7371 136c136 < NMR restraints: Bond = 2.638 Angle = 0. Torsion = 0. > NMR restraints: Bond = 2.647 Angle = 0. Torsion = 0. 138c138 < NSTEP = 5 TIME(PS) = 1.505 TEMP(K) = 308.04 PRESS = 0. > NSTEP = 5 TIME(PS) = 1.505 TEMP(K) = 310.40 PRESS = 0. 139c139 < Etot = -1056.7158 EKtot = 1896.0612 EPtot = -2952.7770 > Etot = -10056.9068 EKtot = 1910.6044 EPtot = -11967.5111 140c140 < BOND = 455.3827 ANGLE = 1421.7842 DIHED = 801.0174 > BOND = 458.3470 ANGLE = 1424.2623 DIHED = 801.1783 141c141 < 1-4 NB = 523.7570 1-4 EEL = 7889.6859 VDWAALS = -1161.8698 > 1-4 NB = 525.6504 1-4 EEL = 7846.9295 VDWAALS = -1160.3630 142c142 < EELEC = -398.7703 EGB = -12488.3560 RESTRAINT = 4.5918 > EELEC = -438.0688 EGB = -21430.0566 RESTRAINT = 4.6097 143c143 < EAMBER (non-restraint) = -2957.3687 > EAMBER (non-restraint) = -11972.1209 145c145 < NMR restraints: Bond = 4.592 Angle = 0. Torsion = 0. > NMR restraints: Bond = 4.610 Angle = 0. Torsion = 0. 147c147 < NSTEP = 6 TIME(PS) = 1.506 TEMP(K) = 307.40 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.506 TEMP(K) = 311.43 PRESS = 0. 148c148 < Etot = -1054.3096 EKtot = 1892.1365 EPtot = -2946.4461 > Etot = -10076.4837 EKtot = 1916.9347 EPtot = -11993.4184 149c149 < BOND = 458.1626 ANGLE = 1429.8097 DIHED = 801.3002 > BOND = 463.2069 ANGLE = 1436.0571 DIHED = 801.7012 150c150 < 1-4 NB = 523.0546 1-4 EEL = 7889.6897 VDWAALS = -1163.8718 > 1-4 NB = 525.5342 1-4 EEL = 7827.3769 VDWAALS = -1162.1265 151c151 < EELEC = -400.6461 EGB = -12490.8648 RESTRAINT = 6.9197 > EELEC = -459.1080 EGB = -21433.0085 RESTRAINT = 6.9483 152c152 < EAMBER (non-restraint) = -2953.3659 > EAMBER (non-restraint) = -12000.3667 154c154 < NMR restraints: Bond = 6.920 Angle = 0. Torsion = 0. > NMR restraints: Bond = 6.948 Angle = 0. Torsion = 0. 156c156 < NSTEP = 7 TIME(PS) = 1.507 TEMP(K) = 305.71 PRESS = 0. > NSTEP = 7 TIME(PS) = 1.507 TEMP(K) = 311.36 PRESS = 0. 157c157 < Etot = -1051.2921 EKtot = 1881.7413 EPtot = -2933.0334 > Etot = -10098.7100 EKtot = 1916.5047 EPtot = -12015.2147 158c158 < BOND = 461.2146 ANGLE = 1443.3484 DIHED = 801.8006 > BOND = 468.9627 ANGLE = 1456.4810 DIHED = 802.5568 159c159 < 1-4 NB = 522.6220 1-4 EEL = 7888.8725 VDWAALS = -1165.1848 > 1-4 NB = 525.6973 1-4 EEL = 7804.6372 VDWAALS = -1163.2330 160c160 < EELEC = -401.5499 EGB = -12493.6470 RESTRAINT = 9.4902 > EELEC = -482.4826 EGB = -21437.3634 RESTRAINT = 9.5293 161c161 < EAMBER (non-restraint) = -2942.5236 > EAMBER (non-restraint) = -12024.7440 163c163 < NMR restraints: Bond = 9.490 Angle = 0. Torsion = 0. > NMR restraints: Bond = 9.529 Angle = 0. Torsion = 0. 165c165 < NSTEP = 8 TIME(PS) = 1.508 TEMP(K) = 303.46 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.508 TEMP(K) = 310.50 PRESS = 0. 166c166 < Etot = -1047.7642 EKtot = 1867.9033 EPtot = -2915.6674 > Etot = -10123.6168 EKtot = 1911.2111 EPtot = -12034.8278 167c167 < BOND = 464.3313 ANGLE = 1459.5129 DIHED = 802.5627 > BOND = 475.3143 ANGLE = 1483.0764 DIHED = 803.7908 168c168 < 1-4 NB = 522.3767 1-4 EEL = 7887.3002 VDWAALS = -1165.8388 > 1-4 NB = 526.0818 1-4 EEL = 7779.5328 VDWAALS = -1163.6192 169c169 < EELEC = -401.5688 EGB = -12496.5054 RESTRAINT = 12.1617 > EELEC = -507.9960 EGB = -21443.2174 RESTRAINT = 12.2087 170c170 < EAMBER (non-restraint) = -2927.8292 > EAMBER (non-restraint) = -12047.0365 172c172 < NMR restraints: Bond = 12.162 Angle = 0. Torsion = 0. > NMR restraints: Bond = 12.209 Angle = 0. Torsion = 0. 174c174 < NSTEP = 9 TIME(PS) = 1.509 TEMP(K) = 301.33 PRESS = 0. > NSTEP = 9 TIME(PS) = 1.509 TEMP(K) = 309.45 PRESS = 0. 175c175 < Etot = -1043.8536 EKtot = 1854.7755 EPtot = -2898.6292 > Etot = -10151.3067 EKtot = 1904.7417 EPtot = -12056.0484 176c176 < BOND = 467.0970 ANGLE = 1474.6583 DIHED = 803.5913 > BOND = 481.7133 ANGLE = 1511.9312 DIHED = 805.4003 177c177 < 1-4 NB = 522.1549 1-4 EEL = 7885.0773 VDWAALS = -1165.9475 > 1-4 NB = 526.5253 1-4 EEL = 7752.9520 VDWAALS = -1163.2821 178c178 < EELEC = -400.8330 EGB = -12499.2226 RESTRAINT = 14.7951 > EELEC = -535.4855 EGB = -21450.6478 RESTRAINT = 14.8449 179c179 < EAMBER (non-restraint) = -2913.4242 > EAMBER (non-restraint) = -12070.8933 181c181 < NMR restraints: Bond = 14.795 Angle = 0. Torsion = 0. > NMR restraints: Bond = 14.845 Angle = 0. Torsion = 0. 183c183 < NSTEP = 10 TIME(PS) = 1.510 TEMP(K) = 299.96 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.510 TEMP(K) = 308.89 PRESS = 0. 184c184 < Etot = -1039.6912 EKtot = 1846.3580 EPtot = -2886.0491 > Etot = -10181.9021 EKtot = 1901.2975 EPtot = -12083.1997 185c185 < BOND = 468.9931 ANGLE = 1485.4518 DIHED = 804.8686 > BOND = 487.5358 ANGLE = 1538.7497 DIHED = 807.3524 186c186 < 1-4 NB = 521.8059 1-4 EEL = 7882.3442 VDWAALS = -1165.6775 > 1-4 NB = 526.8252 1-4 EEL = 7725.7841 VDWAALS = -1162.2519 187c187 < EELEC = -399.4909 EGB = -12501.6083 RESTRAINT = 17.2640 > EELEC = -564.8049 EGB = -21459.7001 RESTRAINT = 17.3099 188c188 < EAMBER (non-restraint) = -2903.3131 > EAMBER (non-restraint) = -12100.5096 190c190 < NMR restraints: Bond = 17.264 Angle = 0. Torsion = 0. > NMR restraints: Bond = 17.310 Angle = 0. Torsion = 0. 192c192 < NSTEP = 11 TIME(PS) = 1.511 TEMP(K) = 299.77 PRESS = 0. > NSTEP = 11 TIME(PS) = 1.511 TEMP(K) = 309.34 PRESS = 0. 193c193 < Etot = -1035.3905 EKtot = 1845.2082 EPtot = -2880.5987 > Etot = -10215.4877 EKtot = 1904.1157 EPtot = -12119.6034 194c194 < BOND = 469.5472 ANGLE = 1489.8930 DIHED = 806.3723 > BOND = 492.2997 ANGLE = 1560.0739 DIHED = 809.6062 195c195 < 1-4 NB = 521.2728 1-4 EEL = 7879.2734 VDWAALS = -1165.2013 > 1-4 NB = 526.8232 1-4 EEL = 7698.8496 VDWAALS = -1160.5654 196c196 < EELEC = -397.6942 EGB = -12503.5268 RESTRAINT = 19.4649 > EELEC = -595.8065 EGB = -21470.3840 RESTRAINT = 19.5000 197c197 < EAMBER (non-restraint) = -2900.0636 > EAMBER (non-restraint) = -12139.1034 199c199 < NMR restraints: Bond = 19.465 Angle = 0. Torsion = 0. > NMR restraints: Bond = 19.500 Angle = 0. Torsion = 0. 201c201 < NSTEP = 12 TIME(PS) = 1.512 TEMP(K) = 300.80 PRESS = 0. > NSTEP = 12 TIME(PS) = 1.512 TEMP(K) = 311.00 PRESS = 0. 202c202 < Etot = -1031.0256 EKtot = 1851.5413 EPtot = -2882.5669 > Etot = -10252.0812 EKtot = 1914.3024 EPtot = -12166.3836 203c203 < BOND = 468.4588 ANGLE = 1487.9778 DIHED = 808.0806 > BOND = 495.8239 ANGLE = 1574.2904 DIHED = 812.1286 204c204 < 1-4 NB = 520.6219 1-4 EEL = 7876.0669 VDWAALS = -1164.5978 > 1-4 NB = 526.4692 1-4 EEL = 7672.8392 VDWAALS = -1158.2421 205c205 < EELEC = -395.5953 EGB = -12504.9030 RESTRAINT = 21.3231 > EELEC = -628.3300 EGB = -21482.7047 RESTRAINT = 21.3420 206c206 < EAMBER (non-restraint) = -2903.8900 > EAMBER (non-restraint) = -12187.7256 208c208 < NMR restraints: Bond = 21.323 Angle = 0. Torsion = 0. > NMR restraints: Bond = 21.342 Angle = 0. Torsion = 0. 210c210 < NSTEP = 13 TIME(PS) = 1.513 TEMP(K) = 302.68 PRESS = 0. > NSTEP = 13 TIME(PS) = 1.513 TEMP(K) = 313.61 PRESS = 0. 211c211 < Etot = -1026.5978 EKtot = 1863.0909 EPtot = -2889.6887 > Etot = -10291.6006 EKtot = 1930.3744 EPtot = -12221.9750 212c212 < BOND = 465.6577 ANGLE = 1481.7620 DIHED = 809.9674 > BOND = 498.2631 ANGLE = 1582.0893 DIHED = 814.8983 213c213 < 1-4 NB = 520.0115 1-4 EEL = 7872.9501 VDWAALS = -1163.7717 > 1-4 NB = 525.8336 1-4 EEL = 7648.2687 VDWAALS = -1155.2760 214c214 < EELEC = -393.3547 EGB = -12505.7070 RESTRAINT = 22.7960 > EELEC = -662.1944 EGB = -21496.6542 RESTRAINT = 22.7966 215c215 < EAMBER (non-restraint) = -2912.4847 > EAMBER (non-restraint) = -12244.7716 217c217 < NMR restraints: Bond = 22.796 Angle = 0. Torsion = 0. > NMR restraints: Bond = 22.797 Angle = 0. Torsion = 0. 219c219 < NSTEP = 14 TIME(PS) = 1.514 TEMP(K) = 304.77 PRESS = 0. > NSTEP = 14 TIME(PS) = 1.514 TEMP(K) = 316.60 PRESS = 0. 220c220 < Etot = -1022.0555 EKtot = 1875.9452 EPtot = -2898.0007 > Etot = -10333.8992 EKtot = 1948.7796 EPtot = -12282.6788 221c221 < BOND = 461.2957 ANGLE = 1474.7153 DIHED = 811.9946 > BOND = 500.0145 ANGLE = 1586.1544 DIHED = 817.9001 222c222 < 1-4 NB = 519.6161 1-4 EEL = 7870.1537 VDWAALS = -1162.5416 > 1-4 NB = 525.0604 1-4 EEL = 7625.4516 VDWAALS = -1151.6600 223c223 < EELEC = -391.1405 EGB = -12505.9658 RESTRAINT = 23.8717 > EELEC = -697.1917 EGB = -21512.2651 RESTRAINT = 23.8570 224c224 < EAMBER (non-restraint) = -2921.8724 > EAMBER (non-restraint) = -12306.5358 226c226 < NMR restraints: Bond = 23.872 Angle = 0. Torsion = 0. > NMR restraints: Bond = 23.857 Angle = 0. Torsion = 0. 228c228 < NSTEP = 15 TIME(PS) = 1.515 TEMP(K) = 306.41 PRESS = 0. > NSTEP = 15 TIME(PS) = 1.515 TEMP(K) = 319.27 PRESS = 0. 229c229 < Etot = -1017.3419 EKtot = 1886.0564 EPtot = -2903.3983 > Etot = -10378.7731 EKtot = 1965.2394 EPtot = -12344.0126 230c230 < BOND = 455.7048 ANGLE = 1470.4967 DIHED = 814.1112 > BOND = 501.5534 ANGLE = 1590.1012 DIHED = 821.1141 231c231 < 1-4 NB = 519.5431 1-4 EEL = 7867.8939 VDWAALS = -1160.8450 > 1-4 NB = 524.2911 1-4 EEL = 7604.5001 VDWAALS = -1147.4347 232c232 < EELEC = -389.1255 EGB = -12505.7427 RESTRAINT = 24.5650 > EELEC = -733.0868 EGB = -21529.5941 RESTRAINT = 24.5432 233c233 < EAMBER (non-restraint) = -2927.9633 > EAMBER (non-restraint) = -12368.5557 235c235 < NMR restraints: Bond = 24.565 Angle = 0. Torsion = 0. > NMR restraints: Bond = 24.543 Angle = 0. Torsion = 0. 237c237 < NSTEP = 16 TIME(PS) = 1.516 TEMP(K) = 307.17 PRESS = 0. > NSTEP = 16 TIME(PS) = 1.516 TEMP(K) = 321.08 PRESS = 0. 238c238 < Etot = -1012.4364 EKtot = 1890.7447 EPtot = -2903.1811 > Etot = -10430.1819 EKtot = 1976.3773 EPtot = -12406.5591 239c239 < BOND = 449.3643 ANGLE = 1471.5660 DIHED = 816.2554 > BOND = 503.2872 ANGLE = 1597.0124 DIHED = 824.5033 240c240 < 1-4 NB = 519.7909 1-4 EEL = 7866.3475 VDWAALS = -1158.8393 > 1-4 NB = 523.6088 1-4 EEL = 7585.3508 VDWAALS = -1142.7207 241c241 < EELEC = -387.4800 EGB = -12505.0963 RESTRAINT = 24.9105 > EELEC = -769.6292 EGB = -21552.8662 RESTRAINT = 24.8945 242c242 < EAMBER (non-restraint) = -2928.0916 > EAMBER (non-restraint) = -12431.4536 244c244 < NMR restraints: Bond = 24.910 Angle = 0. Torsion = 0. > NMR restraints: Bond = 24.894 Angle = 0. Torsion = 0. 246c246 < NSTEP = 17 TIME(PS) = 1.517 TEMP(K) = 306.98 PRESS = 0. > NSTEP = 17 TIME(PS) = 1.517 TEMP(K) = 321.84 PRESS = 0. 247c247 < Etot = -1007.3631 EKtot = 1889.5786 EPtot = -2896.9417 > Etot = -10479.7203 EKtot = 1981.0007 EPtot = -12460.7210 248c248 < BOND = 442.8931 ANGLE = 1478.1865 DIHED = 818.3586 > BOND = 505.4908 ANGLE = 1608.1533 DIHED = 828.0044 249c249 < 1-4 NB = 520.2705 1-4 EEL = 7865.6342 VDWAALS = -1156.8263 > 1-4 NB = 523.0409 1-4 EEL = 7567.8001 VDWAALS = -1137.6982 250c250 < EELEC = -386.3593 EGB = -12504.0536 RESTRAINT = 24.9546 > EELEC = -806.5732 EGB = -21573.9003 RESTRAINT = 24.9611 251c251 < EAMBER (non-restraint) = -2921.8963 > EAMBER (non-restraint) = -12485.6821 253c253 < NMR restraints: Bond = 24.955 Angle = 0. Torsion = 0. > NMR restraints: Bond = 24.961 Angle = 0. Torsion = 0. 255c255 < NSTEP = 18 TIME(PS) = 1.518 TEMP(K) = 306.14 PRESS = 0. > NSTEP = 18 TIME(PS) = 1.518 TEMP(K) = 321.75 PRESS = 0. 256c256 < Etot = -1002.1990 EKtot = 1884.3841 EPtot = -2886.5831 > Etot = -10526.5644 EKtot = 1980.4893 EPtot = -12507.0537 257c257 < BOND = 437.0460 ANGLE = 1488.2328 DIHED = 820.3537 > BOND = 508.3287 ANGLE = 1622.4324 DIHED = 831.5269 258c258 < 1-4 NB = 520.8715 1-4 EEL = 7865.7964 VDWAALS = -1155.1057 > 1-4 NB = 522.6069 1-4 EEL = 7551.5420 VDWAALS = -1132.5502 259c259 < EELEC = -385.8852 EGB = -12502.6413 RESTRAINT = 24.7486 > EELEC = -843.6812 EGB = -21592.0561 RESTRAINT = 24.7968 260c260 < EAMBER (non-restraint) = -2911.3317 > EAMBER (non-restraint) = -12531.8505 262c262 < NMR restraints: Bond = 24.749 Angle = 0. Torsion = 0. > NMR restraints: Bond = 24.797 Angle = 0. Torsion = 0. 264c264 < NSTEP = 19 TIME(PS) = 1.519 TEMP(K) = 305.17 PRESS = 0. > NSTEP = 19 TIME(PS) = 1.519 TEMP(K) = 321.37 PRESS = 0. 265c265 < Etot = -997.0492 EKtot = 1878.4364 EPtot = -2875.4857 > Etot = -10577.5355 EKtot = 1978.1474 EPtot = -12555.6829 266c266 < BOND = 432.6542 ANGLE = 1497.9107 DIHED = 822.1854 > BOND = 511.9049 ANGLE = 1636.8546 DIHED = 834.9638 267c267 < 1-4 NB = 521.5268 1-4 EEL = 7866.7943 VDWAALS = -1153.8572 > 1-4 NB = 522.3719 1-4 EEL = 7536.2097 VDWAALS = -1127.4081 268c268 < EELEC = -386.1309 EGB = -12500.9111 RESTRAINT = 24.3421 > EELEC = -880.7938 EGB = -21614.2380 RESTRAINT = 24.4520 269c269 < EAMBER (non-restraint) = -2899.8278 > EAMBER (non-restraint) = -12580.1349 271c271 < NMR restraints: Bond = 24.342 Angle = 0. Torsion = 0. > NMR restraints: Bond = 24.452 Angle = 0. Torsion = 0. 273c273 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 304.65 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 321.33 PRESS = 0. 274c274 < Etot = -992.0086 EKtot = 1875.2144 EPtot = -2867.2230 > Etot = -10628.4276 EKtot = 1977.8983 EPtot = -12606.3259 275c275 < BOND = 430.4717 ANGLE = 1503.1264 DIHED = 823.8177 > BOND = 516.2668 ANGLE = 1647.7792 DIHED = 838.2103 276c276 < 1-4 NB = 522.2400 1-4 EEL = 7868.5119 VDWAALS = -1153.1075 > 1-4 NB = 522.4675 1-4 EEL = 7521.4111 VDWAALS = -1122.3523 277c277 < EELEC = -387.1090 EGB = -12498.9523 RESTRAINT = 23.7780 > EELEC = -917.8626 EGB = -21636.2156 RESTRAINT = 23.9698 278c278 < EAMBER (non-restraint) = -2891.0010 > EAMBER (non-restraint) = -12630.2957 280c280 < NMR restraints: Bond = 23.778 Angle = 0. Torsion = 0. > NMR restraints: Bond = 23.970 Angle = 0. Torsion = 0. 283c283 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 304.48 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 312.92 PRESS = 0. 284c284 < Etot = -1033.7711 EKtot = 1874.1788 EPtot = -2907.9498 > Etot = -10244.5682 EKtot = 1926.1095 EPtot = -12170.6778 285c285 < BOND = 454.3086 ANGLE = 1464.1966 DIHED = 808.4453 > BOND = 483.4268 ANGLE = 1529.1297 DIHED = 812.8542 286c286 < 1-4 NB = 522.2632 1-4 EEL = 7878.2387 VDWAALS = -1160.1838 > 1-4 NB = 525.2472 1-4 EEL = 7712.3861 VDWAALS = -1151.4556 287c287 < EELEC = -393.0497 EGB = -12497.3719 RESTRAINT = 15.2032 > EELEC = -606.0434 EGB = -21491.4561 RESTRAINT = 15.2332 288c288 < EAMBER (non-restraint) = -2923.1530 > EAMBER (non-restraint) = -12185.9109 290c290 < NMR restraints: Bond = 23.778 Angle = 0. Torsion = 0. > NMR restraints: Bond = 23.970 Angle = 0. Torsion = 0. 293c293 < NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 2.56 PRESS = 0. > NSTEP = 20 TIME(PS) = 1.520 TEMP(K) = 6.22 PRESS = 0. 294c294 < Etot = 22.3217 EKtot = 15.7733 EPtot = 26.0575 > Etot = 195.8657 EKtot = 38.2655 EPtot = 231.8660 295c295 < BOND = 11.7538 ANGLE = 26.2751 DIHED = 7.8979 > BOND = 22.6619 ANGLE = 78.6395 DIHED = 12.4379 296c296 < 1-4 NB = 2.1880 1-4 EEL = 9.0929 VDWAALS = 4.8271 > 1-4 NB = 1.5494 1-4 EEL = 123.9134 VDWAALS = 12.2658 297c297 < EELEC = 6.0940 EGB = 7.8625 RESTRAINT = 9.3535 > EELEC = 169.8881 EGB = 67.1162 RESTRAINT = 9.3647 298c298 < EAMBER (non-restraint) = 16.7040 > EAMBER (non-restraint) = 222.5014 307c307 < CD1 LEU 72 -- CD1 ILE 75: 6.009 6.490 0.481 23.089 d 0: 0 > CD1 LEU 72 -- CD1 ILE 75: 6.006 6.490 0.484 23.382 d 0: 0 308c308 < Total distance penalty: 23.089 > Total distance penalty: 23.382 ### Maximum absolute error in matching lines = 9.74e+03 at line 278 field 4 ### Maximum relative error in matching lines = 2.69e+01 at line 297 field 3 --------------------------------------- possible FAILURE: check dist_gb_vs_t.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/jar_distance 2c2 < 5.59000 5.48178 21.64487 1.04564 > 5.59000 5.48162 21.67589 1.04697 3c3 < 5.69000 5.47572 42.85674 4.28242 > 5.69000 5.47530 42.94052 4.28945 4c4 < 5.79000 5.48194 61.61233 9.52469 > 5.79000 5.48130 61.73902 9.54241 5c5 < 5.89000 5.50536 76.92873 16.47559 > 5.89000 5.50471 77.05804 16.50643 6c6 < 5.99000 5.54881 88.23812 24.75976 > 5.99000 5.54841 88.31754 24.80134 7c7 < 6.09000 5.61255 95.49033 33.97067 > 6.09000 5.61254 95.49165 34.01630 8c8 < 6.19000 5.69437 99.12628 43.72195 > 6.19000 5.69459 99.08216 43.76501 9c9 < 6.29000 5.79045 99.90922 53.68888 > 6.29000 5.79039 99.92223 53.72956 10c10 < 6.39000 5.89662 98.67539 63.62830 > 6.39000 5.89551 98.89788 63.67970 ### Maximum absolute error in matching lines = 1.11e-03 at line 10 field 2 ### Maximum relative error in matching lines = 1.88e-04 at line 10 field 2 --------------------------------------- possible FAILURE: check mdout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/jar_torsion 92c92 < Etot = -2918.6875 EKtot = 0. EPtot = -2918.6875 > Etot = -11864.0786 EKtot = 0. EPtot = -11864.0786 95c95 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 0. > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 0. 96c96 < EAMBER (non-restraint) = -2918.6875 > EAMBER (non-restraint) = -11864.0786 101c101 < Etot = -2918.6875 EKtot = 0. EPtot = -2918.6875 > Etot = -11864.0786 EKtot = 0. EPtot = -11864.0786 104c104 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 0. > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 0. 105c105 < EAMBER (non-restraint) = -2918.6875 > EAMBER (non-restraint) = -11864.0786 109c109 < NSTEP = 2 TIME(PS) = 0.002 TEMP(K) = 10.58 PRESS = 0. > NSTEP = 2 TIME(PS) = 0.002 TEMP(K) = 10.38 PRESS = 0. 110c110 < Etot = -2916.1741 EKtot = 78.5563 EPtot = -2994.7304 > Etot = -11865.4703 EKtot = 77.0724 EPtot = -11942.5427 111c111 < BOND = 427.4501 ANGLE = 1399.6809 DIHED = 797.3889 > BOND = 427.3220 ANGLE = 1399.7898 DIHED = 797.3509 112c112 < 1-4 NB = 525.0625 1-4 EEL = 7881.4469 VDWAALS = -1153.1753 > 1-4 NB = 525.2073 1-4 EEL = 7878.3596 VDWAALS = -1153.0947 113c113 < EELEC = -384.8572 EGB = -12487.7273 RESTRAINT = 0.0003 > EELEC = -387.0212 EGB = -21430.4566 RESTRAINT = 0.0002 114c114 < EAMBER (non-restraint) = -2994.7306 > EAMBER (non-restraint) = -11942.5428 118c118 < NSTEP = 3 TIME(PS) = 0.003 TEMP(K) = 38.10 PRESS = 0. > NSTEP = 3 TIME(PS) = 0.003 TEMP(K) = 37.75 PRESS = 0. 119c119 < Etot = -2916.5363 EKtot = 282.7568 EPtot = -3199.2931 > Etot = -11880.0991 EKtot = 280.2141 EPtot = -12160.3132 120c120 < BOND = 381.3559 ANGLE = 1275.1880 DIHED = 789.2999 > BOND = 378.3691 ANGLE = 1275.6097 DIHED = 789.1466 121c121 < 1-4 NB = 519.7828 1-4 EEL = 7880.8404 VDWAALS = -1158.0419 > 1-4 NB = 520.3242 1-4 EEL = 7868.7223 VDWAALS = -1158.2115 122c122 < EELEC = -390.9126 EGB = -12496.8059 RESTRAINT = 0.0001 > EELEC = -402.0112 EGB = -21432.2629 RESTRAINT = 0.0004 123c123 < EAMBER (non-restraint) = -3199.2932 > EAMBER (non-restraint) = -12160.3135 127c127 < NSTEP = 4 TIME(PS) = 0.004 TEMP(K) = 73.72 PRESS = 0. > NSTEP = 4 TIME(PS) = 0.004 TEMP(K) = 73.97 PRESS = 0. 128c128 < Etot = -2917.6382 EKtot = 547.1784 EPtot = -3464.8166 > Etot = -11904.9276 EKtot = 549.0220 EPtot = -12453.9495 129c129 < BOND = 329.9918 ANGLE = 1106.7376 DIHED = 776.9447 > BOND = 319.2360 ANGLE = 1107.9974 DIHED = 776.6209 130c130 < 1-4 NB = 512.4419 1-4 EEL = 7879.8233 VDWAALS = -1164.4373 > 1-4 NB = 513.5200 1-4 EEL = 7853.9538 VDWAALS = -1165.1995 131c131 < EELEC = -398.3364 EGB = -12507.9861 RESTRAINT = 0.0040 > EELEC = -425.3051 EGB = -21434.7792 RESTRAINT = 0.0063 132c132 < EAMBER (non-restraint) = -3464.8206 > EAMBER (non-restraint) = -12453.9558 134c134 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.004 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.006 136c136 < NSTEP = 5 TIME(PS) = 0.005 TEMP(K) = 108.39 PRESS = 0. > NSTEP = 5 TIME(PS) = 0.005 TEMP(K) = 109.82 PRESS = 0. 137c137 < Etot = -2918.6246 EKtot = 804.5139 EPtot = -3723.1385 > Etot = -11939.5264 EKtot = 815.1089 EPtot = -12754.6353 138c138 < BOND = 284.7046 ANGLE = 939.5836 DIHED = 761.7508 > BOND = 265.9704 ANGLE = 942.8616 DIHED = 761.2370 139c139 < 1-4 NB = 504.6173 1-4 EEL = 7878.4212 VDWAALS = -1170.8238 > 1-4 NB = 506.2479 1-4 EEL = 7835.5968 VDWAALS = -1172.8379 140c140 < EELEC = -404.2595 EGB = -12517.1455 RESTRAINT = 0.0129 > EELEC = -456.1618 EGB = -21437.5674 RESTRAINT = 0.0182 141c141 < EAMBER (non-restraint) = -3723.1514 > EAMBER (non-restraint) = -12754.6535 143c143 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.013 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.018 145c145 < NSTEP = 6 TIME(PS) = 0.006 TEMP(K) = 135.06 PRESS = 0. > NSTEP = 6 TIME(PS) = 0.006 TEMP(K) = 137.55 PRESS = 0. 146c146 < Etot = -2919.2739 EKtot = 1002.4518 EPtot = -3921.7257 > Etot = -11983.6893 EKtot = 1020.9404 EPtot = -13004.6297 147c147 < BOND = 246.8032 ANGLE = 815.7524 DIHED = 745.2914 > BOND = 227.6180 ANGLE = 823.0541 DIHED = 744.6144 148c148 < 1-4 NB = 497.7045 1-4 EEL = 7876.7685 VDWAALS = -1176.1201 > 1-4 NB = 499.8080 1-4 EEL = 7815.1769 VDWAALS = -1180.1294 149c149 < EELEC = -406.5016 EGB = -12521.4419 RESTRAINT = 0.0179 > EELEC = -493.9462 EGB = -21440.8495 RESTRAINT = 0.0240 150c150 < EAMBER (non-restraint) = -3921.7436 > EAMBER (non-restraint) = -13004.6537 152c152 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.018 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.024 154c154 < NSTEP = 7 TIME(PS) = 0.007 TEMP(K) = 148.80 PRESS = 0. > NSTEP = 7 TIME(PS) = 0.007 TEMP(K) = 152.02 PRESS = 0. 155c155 < Etot = -2919.0294 EKtot = 1104.4442 EPtot = -4023.4736 > Etot = -12037.1612 EKtot = 1128.3207 EPtot = -13165.4820 156c156 < BOND = 222.0269 ANGLE = 762.4246 DIHED = 729.0415 > BOND = 211.2928 ANGLE = 776.2790 DIHED = 728.2666 157c157 < 1-4 NB = 492.6486 1-4 EEL = 7875.1524 VDWAALS = -1179.7813 > 1-4 NB = 495.0975 1-4 EEL = 7793.8656 VDWAALS = -1186.3017 158c158 < EELEC = -404.4457 EGB = -12520.5529 RESTRAINT = 0.0123 > EELEC = -538.3565 EGB = -21445.6417 RESTRAINT = 0.0164 159c159 < EAMBER (non-restraint) = -4023.4859 > EAMBER (non-restraint) = -13165.4984 161c161 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.012 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.016 163c163 < NSTEP = 8 TIME(PS) = 0.008 TEMP(K) = 147.59 PRESS = 0. > NSTEP = 8 TIME(PS) = 0.008 TEMP(K) = 151.62 PRESS = 0. 164c164 < Etot = -2916.7587 EKtot = 1095.4106 EPtot = -4012.1693 > Etot = -12099.2839 EKtot = 1125.3214 EPtot = -13224.6053 165c165 < BOND = 221.8944 ANGLE = 785.5413 DIHED = 714.2042 > BOND = 222.5085 ANGLE = 808.4451 DIHED = 713.4085 166c166 < 1-4 NB = 489.8580 1-4 EEL = 7873.9529 VDWAALS = -1181.7302 > 1-4 NB = 492.5201 1-4 EEL = 7772.2997 VDWAALS = -1190.7162 167c167 < EELEC = -399.2290 EGB = -12516.6639 RESTRAINT = 0.0029 > EELEC = -589.5388 EGB = -21453.5365 RESTRAINT = 0.0043 168c168 < EAMBER (non-restraint) = -4012.1722 > EAMBER (non-restraint) = -13224.6096 170c170 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.003 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.004 172c172 < NSTEP = 9 TIME(PS) = 0.009 TEMP(K) = 133.87 PRESS = 0. > NSTEP = 9 TIME(PS) = 0.009 TEMP(K) = 139.03 PRESS = 0. 173c173 < Etot = -2912.3575 EKtot = 993.6244 EPtot = -3905.9819 > Etot = -12169.8011 EKtot = 1031.9222 EPtot = -13201.7234 174c174 < BOND = 248.4473 ANGLE = 869.9255 DIHED = 701.6269 > BOND = 257.9095 ANGLE = 903.9835 DIHED = 700.8627 175c175 < 1-4 NB = 489.2302 1-4 EEL = 7873.4755 VDWAALS = -1182.2930 > 1-4 NB = 491.9964 1-4 EEL = 7750.5876 VDWAALS = -1192.8581 176c176 < EELEC = -393.1658 EGB = -12513.2287 RESTRAINT = 0.0001 > EELEC = -647.9238 EGB = -21466.2813 RESTRAINT = 0. 177c177 < EAMBER (non-restraint) = -3905.9820 > EAMBER (non-restraint) = -13201.7234 181c181 < NSTEP = 10 TIME(PS) = 0.010 TEMP(K) = 114.36 PRESS = 0. > NSTEP = 10 TIME(PS) = 0.010 TEMP(K) = 120.61 PRESS = 0. 182c182 < Etot = -2907.4012 EKtot = 848.8019 EPtot = -3756.2030 > Etot = -12249.4383 EKtot = 895.2053 EPtot = -13144.6436 183c183 < BOND = 286.8553 ANGLE = 985.1593 DIHED = 691.7976 > BOND = 302.3129 ANGLE = 1032.0567 DIHED = 691.0639 184c184 < 1-4 NB = 490.2420 1-4 EEL = 7873.7888 VDWAALS = -1182.1053 > 1-4 NB = 493.0344 1-4 EEL = 7728.5087 VDWAALS = -1192.7106 185c185 < EELEC = -388.7169 EGB = -12513.2269 RESTRAINT = 0.0031 > EELEC = -713.8847 EGB = -21485.0270 RESTRAINT = 0.0020 186c186 < EAMBER (non-restraint) = -3756.2061 > EAMBER (non-restraint) = -13144.6457 188c188 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.003 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.002 190c190 < NSTEP = 11 TIME(PS) = 0.011 TEMP(K) = 96.83 PRESS = 0. > NSTEP = 11 TIME(PS) = 0.011 TEMP(K) = 103.82 PRESS = 0. 191c191 < Etot = -2903.6070 EKtot = 718.7185 EPtot = -3622.3255 > Etot = -12340.1190 EKtot = 770.5631 EPtot = -13110.6821 192c192 < BOND = 318.1857 ANGLE = 1095.0078 DIHED = 684.8873 > BOND = 337.4738 ANGLE = 1156.0366 DIHED = 684.1273 193c193 < 1-4 NB = 492.0858 1-4 EEL = 7874.6616 VDWAALS = -1181.9206 > 1-4 NB = 494.8443 1-4 EEL = 7705.8265 VDWAALS = -1191.6022 194c194 < EELEC = -387.4873 EGB = -12517.7495 RESTRAINT = 0.0036 > EELEC = -787.4670 EGB = -21509.9231 RESTRAINT = 0.0019 195c195 < EAMBER (non-restraint) = -3622.3292 > EAMBER (non-restraint) = -13110.6840 197c197 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.004 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.002 199c199 < NSTEP = 12 TIME(PS) = 0.012 TEMP(K) = 86.76 PRESS = 0. > NSTEP = 12 TIME(PS) = 0.012 TEMP(K) = 94.31 PRESS = 0. 200c200 < Etot = -2901.3504 EKtot = 643.9292 EPtot = -3545.2796 > Etot = -12443.6497 EKtot = 700.0074 EPtot = -13143.6570 201c201 < BOND = 334.2452 ANGLE = 1167.6797 DIHED = 680.8112 > BOND = 353.8140 ANGLE = 1243.5001 DIHED = 679.9445 202c202 < 1-4 NB = 493.8500 1-4 EEL = 7875.6337 VDWAALS = -1182.3450 > 1-4 NB = 496.5024 1-4 EEL = 7682.5858 VDWAALS = -1191.5185 203c203 < EELEC = -389.6470 EGB = -12525.5082 RESTRAINT = 0.0008 > EELEC = -868.5185 EGB = -21539.9667 RESTRAINT = 0. 204c204 < EAMBER (non-restraint) = -3545.2804 > EAMBER (non-restraint) = -13143.6570 206c206 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.001 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0. 208c208 < NSTEP = 13 TIME(PS) = 0.013 TEMP(K) = 86.23 PRESS = 0. > NSTEP = 13 TIME(PS) = 0.013 TEMP(K) = 94.46 PRESS = 0. 209c209 < Etot = -2900.1521 EKtot = 640.0237 EPtot = -3540.1758 > Etot = -12559.3054 EKtot = 701.1039 EPtot = -13260.4093 210c210 < BOND = 336.3545 ANGLE = 1184.2980 DIHED = 679.3014 > BOND = 353.0405 ANGLE = 1274.4700 DIHED = 678.2797 211c211 < 1-4 NB = 494.7303 1-4 EEL = 7876.2087 VDWAALS = -1183.6303 > 1-4 NB = 497.1569 1-4 EEL = 7659.2668 VDWAALS = -1192.0682 212c212 < EELEC = -393.9579 EGB = -12533.4808 RESTRAINT = 0.0004 > EELEC = -957.1876 EGB = -21573.3704 RESTRAINT = 0.0029 213c213 < EAMBER (non-restraint) = -3540.1762 > EAMBER (non-restraint) = -13260.4122 215c215 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0. > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.003 217c217 < NSTEP = 14 TIME(PS) = 0.014 TEMP(K) = 94.62 PRESS = 0. > NSTEP = 14 TIME(PS) = 0.014 TEMP(K) = 103.46 PRESS = 0. 218c218 < Etot = -2899.8863 EKtot = 702.3047 EPtot = -3602.1910 > Etot = -12686.1043 EKtot = 767.9178 EPtot = -13454.0222 219c219 < BOND = 326.4648 ANGLE = 1143.4391 DIHED = 679.9904 > BOND = 342.3346 ANGLE = 1246.1279 DIHED = 678.8500 220c220 < 1-4 NB = 494.2316 1-4 EEL = 7876.0978 VDWAALS = -1185.6378 > 1-4 NB = 496.2424 1-4 EEL = 7636.7280 VDWAALS = -1191.6163 221c221 < EELEC = -398.3593 EGB = -12538.4205 RESTRAINT = 0.0029 > EELEC = -1054.1851 EGB = -21608.5122 RESTRAINT = 0.0086 222c222 < EAMBER (non-restraint) = -3602.1939 > EAMBER (non-restraint) = -13454.0307 224c224 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.003 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.009 226c226 < NSTEP = 15 TIME(PS) = 0.015 TEMP(K) = 108.96 PRESS = 0. > NSTEP = 15 TIME(PS) = 0.015 TEMP(K) = 118.10 PRESS = 0. 227c227 < Etot = -2900.6215 EKtot = 808.7139 EPtot = -3709.3355 > Etot = -12825.7349 EKtot = 876.5601 EPtot = -13702.2950 228c228 < BOND = 307.2709 ANGLE = 1060.5071 DIHED = 682.4896 > BOND = 329.5558 ANGLE = 1172.7649 DIHED = 681.3730 229c229 < 1-4 NB = 492.2971 1-4 EEL = 7875.4066 VDWAALS = -1187.9678 > 1-4 NB = 493.6355 1-4 EEL = 7615.9617 VDWAALS = -1190.0927 230c230 < EELEC = -400.8744 EGB = -12538.4670 RESTRAINT = 0.0025 > EELEC = -1161.0697 EGB = -21644.4312 RESTRAINT = 0.0078 231c231 < EAMBER (non-restraint) = -3709.3380 > EAMBER (non-restraint) = -13702.3028 233c233 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.003 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.008 235c235 < NSTEP = 16 TIME(PS) = 0.016 TEMP(K) = 124.28 PRESS = 0. > NSTEP = 16 TIME(PS) = 0.016 TEMP(K) = 133.63 PRESS = 0. 236c236 < Etot = -2901.6811 EKtot = 922.4603 EPtot = -3824.1414 > Etot = -12982.1479 EKtot = 991.8338 EPtot = -13973.9817 237c237 < BOND = 288.1099 ANGLE = 962.0544 DIHED = 686.4314 > BOND = 322.9928 ANGLE = 1080.6462 DIHED = 685.5704 238c238 < 1-4 NB = 489.3038 1-4 EEL = 7874.6385 VDWAALS = -1190.1435 > 1-4 NB = 489.6850 1-4 EEL = 7597.7475 VDWAALS = -1187.7408 239c239 < EELEC = -400.4570 EGB = -12534.0790 RESTRAINT = 0. > EELEC = -1281.4110 EGB = -21681.4733 RESTRAINT = 0.0014 240c240 < EAMBER (non-restraint) = -3824.1415 > EAMBER (non-restraint) = -13973.9831 242c242 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0. > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.001 244c244 < NSTEP = 17 TIME(PS) = 0.017 TEMP(K) = 135.32 PRESS = 0. > NSTEP = 17 TIME(PS) = 0.017 TEMP(K) = 145.17 PRESS = 0. 245c245 < Etot = -2901.8326 EKtot = 1004.3428 EPtot = -3906.1754 > Etot = -13164.4402 EKtot = 1077.4799 EPtot = -14241.9201 246c246 < BOND = 282.0664 ANGLE = 876.8107 DIHED = 691.4613 > BOND = 330.6382 ANGLE = 999.1110 DIHED = 691.1313 247c247 < 1-4 NB = 485.9164 1-4 EEL = 7874.4806 VDWAALS = -1191.7653 > 1-4 NB = 485.0889 1-4 EEL = 7582.3277 VDWAALS = -1183.7566 248c248 < EELEC = -397.4031 EGB = -12527.7470 RESTRAINT = 0.0046 > EELEC = -1423.7617 EGB = -21722.7005 RESTRAINT = 0.0016 249c249 < EAMBER (non-restraint) = -3906.1800 > EAMBER (non-restraint) = -14241.9217 251c251 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.005 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.002 253c253 < NSTEP = 18 TIME(PS) = 0.018 TEMP(K) = 138.90 PRESS = 0. > NSTEP = 18 TIME(PS) = 0.018 TEMP(K) = 149.50 PRESS = 0. 254c254 < Etot = -2900.4712 EKtot = 1030.9179 EPtot = -3931.3892 > Etot = -13394.7674 EKtot = 1109.6227 EPtot = -14504.3901 255c255 < BOND = 294.9311 ANGLE = 826.5914 DIHED = 697.1938 > BOND = 355.6861 ANGLE = 951.1016 DIHED = 697.6659 256c256 < 1-4 NB = 482.8601 1-4 EEL = 7875.4737 VDWAALS = -1192.6281 > 1-4 NB = 480.6727 1-4 EEL = 7569.2242 VDWAALS = -1177.0587 257c257 < EELEC = -393.1515 EGB = -12522.6785 RESTRAINT = 0.0189 > EELEC = -1611.9307 EGB = -21769.7637 RESTRAINT = 0.0125 258c258 < EAMBER (non-restraint) = -3931.4080 > EAMBER (non-restraint) = -14504.4026 260c260 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.019 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.012 262c262 < NSTEP = 19 TIME(PS) = 0.019 TEMP(K) = 135.15 PRESS = 0. > NSTEP = 19 TIME(PS) = 0.019 TEMP(K) = 146.37 PRESS = 0. 263c263 < Etot = -2897.9989 EKtot = 1003.1328 EPtot = -3901.1317 > Etot = -13736.9527 EKtot = 1086.4027 EPtot = -14823.3554 264c264 < BOND = 320.5147 ANGLE = 820.3363 DIHED = 703.1736 > BOND = 392.2494 ANGLE = 946.7791 DIHED = 704.6848 265c265 < 1-4 NB = 480.7043 1-4 EEL = 7877.7320 VDWAALS = -1192.8119 > 1-4 NB = 477.1652 1-4 EEL = 7557.2870 VDWAALS = -1167.1902 266c266 < EELEC = -389.5941 EGB = -12521.2173 RESTRAINT = 0.0307 > EELEC = -1953.6498 EGB = -21780.7028 RESTRAINT = 0.0218 267c267 < EAMBER (non-restraint) = -3901.1624 > EAMBER (non-restraint) = -14823.3772 269c269 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.031 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.022 271c271 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 126.72 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 138.40 PRESS = 0. 272c272 < Etot = -2895.0654 EKtot = 940.5000 EPtot = -3835.5654 > Etot = -14207.0649 EKtot = 1027.2388 EPtot = -15234.3037 273c273 < BOND = 346.7103 ANGLE = 852.9945 DIHED = 708.8748 > BOND = 426.6508 ANGLE = 982.2140 DIHED = 711.6231 274c274 < 1-4 NB = 479.7272 1-4 EEL = 7880.8436 VDWAALS = -1192.7084 > 1-4 NB = 475.0472 1-4 EEL = 7544.9915 VDWAALS = -1154.0168 275c275 < EELEC = -388.2449 EGB = -12523.7907 RESTRAINT = 0.0283 > EELEC = -2375.4896 EGB = -21845.3421 RESTRAINT = 0.0182 276c276 < EAMBER (non-restraint) = -3835.5938 > EAMBER (non-restraint) = -15234.3219 278c278 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.028 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.018 281c281 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 102.21 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 108.00 PRESS = 0. 282c282 < Etot = -2908.2574 EKtot = 758.6391 EPtot = -3666.8965 > Etot = -12516.6881 EKtot = 801.5929 EPtot = -13318.2810 283c283 < BOND = 312.5327 ANGLE = 1018.7149 DIHED = 720.1056 > BOND = 330.1623 ANGLE = 1078.3707 DIHED = 719.7986 284c284 < 1-4 NB = 496.7123 1-4 EEL = 7876.8246 VDWAALS = -1179.0721 > 1-4 NB = 497.5374 1-4 EEL = 7716.5331 VDWAALS = -1178.5048 285c285 < EELEC = -394.6094 EGB = -12518.1123 RESTRAINT = 0.0073 > EELEC = -925.5704 EGB = -21556.6154 RESTRAINT = 0.0074 286c286 < EAMBER (non-restraint) = -3666.9038 > EAMBER (non-restraint) = -13318.2884 288c288 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.028 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.018 291c291 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 42.13 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 44.61 PRESS = 0. 292c292 < Etot = 8.5162 EKtot = 312.7151 EPtot = 310.2247 > Etot = 661.7714 EKtot = 331.0684 EPtot = 879.1013 293c293 < BOND = 57.7755 ANGLE = 198.8227 DIHED = 41.4671 > BOND = 65.9047 ANGLE = 189.1141 DIHED = 41.6263 294c294 < 1-4 NB = 13.5828 1-4 EEL = 2.6630 VDWAALS = 12.6533 > 1-4 NB = 14.1702 1-4 EEL = 113.8930 VDWAALS = 14.6573 295c295 < EELEC = 6.6915 EGB = 14.5210 RESTRAINT = 0.0094 > EELEC = 547.7723 EGB = 134.4346 RESTRAINT = 0.0079 296c296 < EAMBER (non-restraint) = 310.2154 > EAMBER (non-restraint) = 879.0934 305c305 < Total torsion penalty: 0.016 > Total torsion penalty: 0.007 ### Maximum absolute error in matching lines = 1.14e+04 at line 276 field 4 ### Maximum relative error in matching lines = 8.09e+01 at line 295 field 3 --------------------------------------- possible FAILURE: check jartorsion_gb.dat.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/jar_torsion 3c3 < 18.07000 18.09846 -0.00694 0.00066 > 18.07000 18.12491 -0.01338 0.00016 4c4 < 18.27000 18.59542 -0.07930 -0.00805 > 18.27000 18.65647 -0.09418 -0.01078 5c5 < 18.47000 18.78766 -0.07741 -0.02522 > 18.47000 18.83695 -0.08942 -0.03078 6c6 < 18.67000 18.63805 0.00779 -0.03247 > 18.67000 18.66289 0.00173 -0.03976 7c7 < 18.87000 18.69772 0.04198 -0.02613 > 18.87000 18.74569 0.03029 -0.03502 8c8 < 19.07000 19.12719 -0.01394 -0.02277 > 19.07000 19.22530 -0.03785 -0.03526 9c9 < 19.27000 19.41391 -0.03507 -0.02898 > 19.27000 19.52309 -0.06168 -0.04669 10c10 < 19.47000 19.27499 0.04752 -0.02866 > 19.47000 19.35644 0.02767 -0.05104 11c11 < 19.67000 19.16814 0.12230 -0.01058 > 19.67000 19.24687 0.10311 -0.03671 ### Maximum absolute error in matching lines = 1.09e-01 at line 9 field 2 ### Maximum relative error in matching lines = 5.62e-03 at line 9 field 2 --------------------------------------- possible FAILURE: check mdout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/nmropt_1_torsion 90c90 < Etot = -2918.6323 EKtot = 0. EPtot = -2918.6323 > Etot = -11864.0235 EKtot = 0. EPtot = -11864.0235 93c93 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 0.0551 > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 0.0551 94c94 < EAMBER (non-restraint) = -2918.6875 > EAMBER (non-restraint) = -11864.0786 99c99 < Etot = -2918.6323 EKtot = 0. EPtot = -2918.6323 > Etot = -11864.0235 EKtot = 0. EPtot = -11864.0235 102c102 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 0.0551 > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 0.0551 103c103 < EAMBER (non-restraint) = -2918.6875 > EAMBER (non-restraint) = -11864.0786 107c107 < NSTEP = 2 TIME(PS) = 0.002 TEMP(K) = 10.58 PRESS = 0. > NSTEP = 2 TIME(PS) = 0.002 TEMP(K) = 10.39 PRESS = 0. 108c108 < Etot = -2916.1200 EKtot = 78.5631 EPtot = -2994.6831 > Etot = -11865.4162 EKtot = 77.0799 EPtot = -11942.4961 109c109 < BOND = 427.4510 ANGLE = 1399.6775 DIHED = 797.3884 > BOND = 427.3228 ANGLE = 1399.7864 DIHED = 797.3505 110c110 < 1-4 NB = 525.0616 1-4 EEL = 7881.4471 VDWAALS = -1153.1743 > 1-4 NB = 525.2065 1-4 EEL = 7878.3598 VDWAALS = -1153.0936 111c111 < EELEC = -384.8557 EGB = -12487.7289 RESTRAINT = 0.0501 > EELEC = -387.0197 EGB = -21430.4586 RESTRAINT = 0.0497 112c112 < EAMBER (non-restraint) = -2994.7332 > EAMBER (non-restraint) = -11942.5458 116c116 < NSTEP = 3 TIME(PS) = 0.003 TEMP(K) = 38.10 PRESS = 0. > NSTEP = 3 TIME(PS) = 0.003 TEMP(K) = 37.76 PRESS = 0. 117c117 < Etot = -2916.4825 EKtot = 282.7812 EPtot = -3199.2638 > Etot = -11880.0448 EKtot = 280.2419 EPtot = -12160.2867 118c118 < BOND = 381.3590 ANGLE = 1275.1780 DIHED = 789.2985 > BOND = 378.3723 ANGLE = 1275.5996 DIHED = 789.1451 119c119 < 1-4 NB = 519.7799 1-4 EEL = 7880.8411 VDWAALS = -1158.0383 > 1-4 NB = 520.3212 1-4 EEL = 7868.7230 VDWAALS = -1158.2079 120c120 < EELEC = -390.9071 EGB = -12496.8115 RESTRAINT = 0.0367 > EELEC = -402.0055 EGB = -21432.2700 RESTRAINT = 0.0355 121c121 < EAMBER (non-restraint) = -3199.3005 > EAMBER (non-restraint) = -12160.3222 123c123 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.037 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.035 125c125 < NSTEP = 4 TIME(PS) = 0.004 TEMP(K) = 73.73 PRESS = 0. > NSTEP = 4 TIME(PS) = 0.004 TEMP(K) = 73.98 PRESS = 0. 126c126 < Etot = -2917.5824 EKtot = 547.2296 EPtot = -3464.8120 > Etot = -11904.8704 EKtot = 549.0821 EPtot = -12453.9525 127c127 < BOND = 329.9984 ANGLE = 1106.7196 DIHED = 776.9416 > BOND = 319.2429 ANGLE = 1107.9788 DIHED = 776.6177 128c128 < 1-4 NB = 512.4356 1-4 EEL = 7879.8249 VDWAALS = -1164.4295 > 1-4 NB = 513.5134 1-4 EEL = 7853.9555 VDWAALS = -1165.1913 129c129 < EELEC = -398.3241 EGB = -12507.9987 RESTRAINT = 0.0201 > EELEC = -425.2922 EGB = -21434.7955 RESTRAINT = 0.0182 130c130 < EAMBER (non-restraint) = -3464.8322 > EAMBER (non-restraint) = -12453.9707 132c132 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.020 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.018 134c134 < NSTEP = 5 TIME(PS) = 0.005 TEMP(K) = 108.40 PRESS = 0. > NSTEP = 5 TIME(PS) = 0.005 TEMP(K) = 109.83 PRESS = 0. 135c135 < Etot = -2918.5639 EKtot = 804.5935 EPtot = -3723.1574 > Etot = -11939.4632 EKtot = 815.2041 EPtot = -12754.6673 136c136 < BOND = 284.7165 ANGLE = 939.5589 DIHED = 761.7449 > BOND = 265.9833 ANGLE = 942.8353 DIHED = 761.2313 137c137 < 1-4 NB = 504.6060 1-4 EEL = 7878.4244 VDWAALS = -1170.8090 > 1-4 NB = 506.2358 1-4 EEL = 7835.6003 VDWAALS = -1172.8221 138c138 < EELEC = -404.2362 EGB = -12517.1694 RESTRAINT = 0.0065 > EELEC = -456.1370 EGB = -21437.5989 RESTRAINT = 0.0047 139c139 < EAMBER (non-restraint) = -3723.1639 > EAMBER (non-restraint) = -12754.6720 141c141 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.006 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.005 143c143 < NSTEP = 6 TIME(PS) = 0.006 TEMP(K) = 135.07 PRESS = 0. > NSTEP = 6 TIME(PS) = 0.006 TEMP(K) = 137.57 PRESS = 0. 144c144 < Etot = -2919.2053 EKtot = 1002.5440 EPtot = -3921.7494 > Etot = -11983.6168 EKtot = 1021.0524 EPtot = -13004.6692 145c145 < BOND = 246.8225 ANGLE = 815.7257 DIHED = 745.2815 > BOND = 227.6389 ANGLE = 823.0246 DIHED = 744.6051 146c146 < 1-4 NB = 497.6864 1-4 EEL = 7876.7741 VDWAALS = -1176.0952 > 1-4 NB = 499.7884 1-4 EEL = 7815.1831 VDWAALS = -1180.1023 147c147 < EELEC = -406.4622 EGB = -12521.4824 RESTRAINT = 0.0002 > EELEC = -493.9035 EGB = -21440.9034 RESTRAINT = 0. 148c148 < EAMBER (non-restraint) = -3921.7496 > EAMBER (non-restraint) = -13004.6692 152c152 < NSTEP = 7 TIME(PS) = 0.007 TEMP(K) = 148.81 PRESS = 0. > NSTEP = 7 TIME(PS) = 0.007 TEMP(K) = 152.03 PRESS = 0. 153c153 < Etot = -2918.9516 EKtot = 1104.5219 EPtot = -4023.4735 > Etot = -12037.0781 EKtot = 1128.4187 EPtot = -13165.4967 154c154 < BOND = 222.0540 ANGLE = 762.4036 DIHED = 729.0262 > BOND = 211.3222 ANGLE = 776.2538 DIHED = 728.2529 155c155 < 1-4 NB = 492.6227 1-4 EEL = 7875.1610 VDWAALS = -1179.7436 > 1-4 NB = 495.0691 1-4 EEL = 7793.8752 VDWAALS = -1186.2604 156c156 < EELEC = -404.3852 EGB = -12520.6148 RESTRAINT = 0.0026 > EELEC = -538.2904 EGB = -21445.7247 RESTRAINT = 0.0055 157c157 < EAMBER (non-restraint) = -4023.4761 > EAMBER (non-restraint) = -13165.5022 159c159 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.003 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.006 161c161 < NSTEP = 8 TIME(PS) = 0.008 TEMP(K) = 147.59 PRESS = 0. > NSTEP = 8 TIME(PS) = 0.008 TEMP(K) = 151.62 PRESS = 0. 162c162 < Etot = -2916.6739 EKtot = 1095.4545 EPtot = -4012.1284 > Etot = -12099.1927 EKtot = 1125.3844 EPtot = -13224.5770 163c163 < BOND = 221.9275 ANGLE = 785.5341 DIHED = 714.1825 > BOND = 222.5443 ANGLE = 808.4317 DIHED = 713.3901 164c164 < 1-4 NB = 489.8249 1-4 EEL = 7873.9647 VDWAALS = -1181.6791 > 1-4 NB = 492.4834 1-4 EEL = 7772.3129 VDWAALS = -1190.6599 165c165 < EELEC = -399.1450 EGB = -12516.7495 RESTRAINT = 0.0114 > EELEC = -589.4462 EGB = -21453.6517 RESTRAINT = 0.0184 166c166 < EAMBER (non-restraint) = -4012.1397 > EAMBER (non-restraint) = -13224.5954 168c168 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.011 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.018 170c170 < NSTEP = 9 TIME(PS) = 0.009 TEMP(K) = 133.87 PRESS = 0. > NSTEP = 9 TIME(PS) = 0.009 TEMP(K) = 139.04 PRESS = 0. 171c171 < Etot = -2912.2708 EKtot = 993.6321 EPtot = -3905.9028 > Etot = -12169.7073 EKtot = 1031.9483 EPtot = -13201.6556 172c172 < BOND = 248.4820 ANGLE = 869.9376 DIHED = 701.5986 > BOND = 257.9468 ANGLE = 903.9872 DIHED = 700.8400 173c173 < 1-4 NB = 489.1927 1-4 EEL = 7873.4898 VDWAALS = -1182.2301 > 1-4 NB = 491.9545 1-4 EEL = 7750.6035 VDWAALS = -1192.7887 174c174 < EELEC = -393.0588 EGB = -12513.3363 RESTRAINT = 0.0217 > EELEC = -647.8054 EGB = -21466.4264 RESTRAINT = 0.0329 175c175 < EAMBER (non-restraint) = -3905.9245 > EAMBER (non-restraint) = -13201.6885 177c177 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.022 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.033 179c179 < NSTEP = 10 TIME(PS) = 0.010 TEMP(K) = 114.36 PRESS = 0. > NSTEP = 10 TIME(PS) = 0.010 TEMP(K) = 120.61 PRESS = 0. 180c180 < Etot = -2907.3169 EKtot = 848.7804 EPtot = -3756.0973 > Etot = -12249.3464 EKtot = 895.2011 EPtot = -13144.5475 181c181 < BOND = 286.8861 ANGLE = 985.1929 DIHED = 691.7636 > BOND = 302.3459 ANGLE = 1032.0801 DIHED = 691.0380 182c182 < 1-4 NB = 490.2046 1-4 EEL = 7873.8039 VDWAALS = -1182.0352 > 1-4 NB = 492.9924 1-4 EEL = 7728.5254 VDWAALS = -1192.6329 183c183 < EELEC = -388.5910 EGB = -12513.3507 RESTRAINT = 0.0285 > EELEC = -713.7447 EGB = -21485.1947 RESTRAINT = 0.0430 184c184 < EAMBER (non-restraint) = -3756.1258 > EAMBER (non-restraint) = -13144.5905 186c186 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.028 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.043 188c188 < NSTEP = 11 TIME(PS) = 0.011 TEMP(K) = 96.83 PRESS = 0. > NSTEP = 11 TIME(PS) = 0.011 TEMP(K) = 103.82 PRESS = 0. 189c189 < Etot = -2903.5265 EKtot = 718.6779 EPtot = -3622.2044 > Etot = -12340.0297 EKtot = 770.5378 EPtot = -13110.5676 190c190 < BOND = 318.2073 ANGLE = 1095.0597 DIHED = 684.8494 > BOND = 337.4972 ANGLE = 1156.0781 DIHED = 684.0997 191c191 < 1-4 NB = 492.0543 1-4 EEL = 7874.6752 VDWAALS = -1181.8490 > 1-4 NB = 494.8083 1-4 EEL = 7705.8416 VDWAALS = -1191.5224 192c192 < EELEC = -387.3489 EGB = -12517.8809 RESTRAINT = 0.0285 > EELEC = -787.3122 EGB = -21510.1025 RESTRAINT = 0.0446 193c193 < EAMBER (non-restraint) = -3622.2329 > EAMBER (non-restraint) = -13110.6122 195c195 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.028 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.045 197c197 < NSTEP = 12 TIME(PS) = 0.012 TEMP(K) = 86.75 PRESS = 0. > NSTEP = 12 TIME(PS) = 0.012 TEMP(K) = 94.31 PRESS = 0. 198c198 < Etot = -2901.2725 EKtot = 643.8860 EPtot = -3545.1585 > Etot = -12443.5614 EKtot = 699.9786 EPtot = -13143.5400 199c199 < BOND = 334.2534 ANGLE = 1167.7409 DIHED = 680.7712 > BOND = 353.8239 ANGLE = 1243.5528 DIHED = 679.9161 200c200 < 1-4 NB = 493.8294 1-4 EEL = 7875.6434 VDWAALS = -1182.2777 > 1-4 NB = 496.4778 1-4 EEL = 7682.5970 VDWAALS = -1191.4424 201c201 < EELEC = -389.5029 EGB = -12525.6380 RESTRAINT = 0.0217 > EELEC = -868.3560 EGB = -21540.1463 RESTRAINT = 0.0371 202c202 < EAMBER (non-restraint) = -3545.1802 > EAMBER (non-restraint) = -13143.5772 204c204 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.022 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.037 206c206 < NSTEP = 13 TIME(PS) = 0.013 TEMP(K) = 86.23 PRESS = 0. > NSTEP = 13 TIME(PS) = 0.013 TEMP(K) = 94.46 PRESS = 0. 207c207 < Etot = -2900.0748 EKtot = 640.0020 EPtot = -3540.0768 > Etot = -12559.2158 EKtot = 701.0982 EPtot = -13260.3139 208c208 < BOND = 336.3460 ANGLE = 1184.3553 DIHED = 679.2603 > BOND = 353.0340 ANGLE = 1274.5227 DIHED = 678.2503 209c209 < 1-4 NB = 494.7235 1-4 EEL = 7876.2130 VDWAALS = -1183.5713 > 1-4 NB = 497.1470 1-4 EEL = 7659.2725 VDWAALS = -1191.9999 210c210 < EELEC = -393.8137 EGB = -12533.6014 RESTRAINT = 0.0113 > EELEC = -957.0232 EGB = -21573.5410 RESTRAINT = 0.0238 211c211 < EAMBER (non-restraint) = -3540.0882 > EAMBER (non-restraint) = -13260.3377 213c213 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.011 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.024 215c215 < NSTEP = 14 TIME(PS) = 0.014 TEMP(K) = 94.63 PRESS = 0. > NSTEP = 14 TIME(PS) = 0.014 TEMP(K) = 103.47 PRESS = 0. 216c216 < Etot = -2899.8076 EKtot = 702.3220 EPtot = -3602.1297 > Etot = -12686.0110 EKtot = 767.9530 EPtot = -13453.9641 217c217 < BOND = 326.4381 ANGLE = 1143.4806 DIHED = 679.9485 > BOND = 342.3100 ANGLE = 1246.1705 DIHED = 678.8186 218c218 < 1-4 NB = 494.2393 1-4 EEL = 7876.0965 VDWAALS = -1185.5891 > 1-4 NB = 496.2475 1-4 EEL = 7636.7280 VDWAALS = -1191.5576 219c219 < EELEC = -398.2191 EGB = -12538.5270 RESTRAINT = 0.0025 > EELEC = -1054.0224 EGB = -21608.6686 RESTRAINT = 0.0099 220c220 < EAMBER (non-restraint) = -3602.1322 > EAMBER (non-restraint) = -13453.9740 222c222 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.003 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.010 224c224 < NSTEP = 15 TIME(PS) = 0.015 TEMP(K) = 108.97 PRESS = 0. > NSTEP = 15 TIME(PS) = 0.015 TEMP(K) = 118.11 PRESS = 0. 225c225 < Etot = -2900.5401 EKtot = 808.7676 EPtot = -3709.3077 > Etot = -12825.6361 EKtot = 876.6311 EPtot = -13702.2673 226c226 < BOND = 307.2270 ANGLE = 1060.5281 DIHED = 682.4464 > BOND = 329.5141 ANGLE = 1172.7940 DIHED = 681.3387 227c227 < 1-4 NB = 492.3176 1-4 EEL = 7875.4006 VDWAALS = -1187.9293 > 1-4 NB = 493.6540 1-4 EEL = 7615.9571 VDWAALS = -1190.0434 228c228 < EELEC = -400.7407 EGB = -12538.5576 RESTRAINT = 0.0003 > EELEC = -1160.9110 EGB = -21644.5720 RESTRAINT = 0.0012 229c229 < EAMBER (non-restraint) = -3709.3079 > EAMBER (non-restraint) = -13702.2685 231c231 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0. > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.001 233c233 < NSTEP = 16 TIME(PS) = 0.016 TEMP(K) = 124.29 PRESS = 0. > NSTEP = 16 TIME(PS) = 0.016 TEMP(K) = 133.64 PRESS = 0. 234c234 < Etot = -2901.5975 EKtot = 922.5325 EPtot = -3824.1300 > Etot = -12982.0443 EKtot = 991.9202 EPtot = -13973.9646 235c235 < BOND = 288.0536 ANGLE = 962.0577 DIHED = 686.3871 > BOND = 322.9385 ANGLE = 1080.6653 DIHED = 685.5330 236c236 < 1-4 NB = 489.3343 1-4 EEL = 7874.6299 VDWAALS = -1190.1140 > 1-4 NB = 489.7138 1-4 EEL = 7597.7405 VDWAALS = -1187.6995 237c237 < EELEC = -400.3322 EGB = -12534.1537 RESTRAINT = 0.0073 > EELEC = -1281.2582 EGB = -21681.5991 RESTRAINT = 0.0011 238c238 < EAMBER (non-restraint) = -3824.1373 > EAMBER (non-restraint) = -13973.9656 240c240 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.007 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.001 242c242 < NSTEP = 17 TIME(PS) = 0.017 TEMP(K) = 135.33 PRESS = 0. > NSTEP = 17 TIME(PS) = 0.017 TEMP(K) = 145.18 PRESS = 0. 243c243 < Etot = -2901.7508 EKtot = 1004.4153 EPtot = -3906.1661 > Etot = -13164.3364 EKtot = 1077.5631 EPtot = -14241.8994 244c244 < BOND = 282.0057 ANGLE = 876.8029 DIHED = 691.4165 > BOND = 330.5791 ANGLE = 999.1266 DIHED = 691.0913 245c245 < 1-4 NB = 485.9538 1-4 EEL = 7874.4718 VDWAALS = -1191.7435 > 1-4 NB = 485.1250 1-4 EEL = 7582.3208 VDWAALS = -1183.7221 246c246 < EELEC = -397.2904 EGB = -12527.8061 RESTRAINT = 0.0233 > EELEC = -1423.6178 EGB = -21722.8120 RESTRAINT = 0.0096 247c247 < EAMBER (non-restraint) = -3906.1894 > EAMBER (non-restraint) = -14241.9090 249c249 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.023 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.010 251c251 < NSTEP = 18 TIME(PS) = 0.018 TEMP(K) = 138.91 PRESS = 0. > NSTEP = 18 TIME(PS) = 0.018 TEMP(K) = 149.51 PRESS = 0. 252c252 < Etot = -2900.3968 EKtot = 1030.9777 EPtot = -3931.3745 > Etot = -13394.6692 EKtot = 1109.6898 EPtot = -14504.3590 253c253 < BOND = 294.8754 ANGLE = 826.5771 DIHED = 697.1501 > BOND = 355.6312 ANGLE = 951.1185 DIHED = 697.6248 254c254 < 1-4 NB = 482.9019 1-4 EEL = 7875.4670 VDWAALS = -1192.6138 > 1-4 NB = 480.7138 1-4 EEL = 7569.2200 VDWAALS = -1177.0308 255c255 < EELEC = -393.0553 EGB = -12522.7214 RESTRAINT = 0.0444 > EELEC = -1611.8003 EGB = -21769.8600 RESTRAINT = 0.0238 256c256 < EAMBER (non-restraint) = -3931.4189 > EAMBER (non-restraint) = -14504.3828 258c258 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.044 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.024 260c260 < NSTEP = 19 TIME(PS) = 0.019 TEMP(K) = 135.16 PRESS = 0. > NSTEP = 19 TIME(PS) = 0.019 TEMP(K) = 146.38 PRESS = 0. 261c261 < Etot = -2897.9355 EKtot = 1003.1673 EPtot = -3901.1028 > Etot = -13736.8636 EKtot = 1086.4410 EPtot = -14823.3046 262c262 < BOND = 320.4738 ANGLE = 820.3150 DIHED = 703.1330 > BOND = 392.2080 ANGLE = 946.7973 DIHED = 704.6443 263c263 < 1-4 NB = 480.7487 1-4 EEL = 7877.7293 VDWAALS = -1192.8054 > 1-4 NB = 477.2095 1-4 EEL = 7557.2876 VDWAALS = -1167.1694 264c264 < EELEC = -389.5200 EGB = -12521.2424 RESTRAINT = 0.0651 > EELEC = -1953.5389 EGB = -21780.7814 RESTRAINT = 0.0386 265c265 < EAMBER (non-restraint) = -3901.1679 > EAMBER (non-restraint) = -14823.3432 267c267 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.065 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.039 269c269 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 126.72 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 138.40 PRESS = 0. 270c270 < Etot = -2895.0132 EKtot = 940.5011 EPtot = -3835.5143 > Etot = -14206.9846 EKtot = 1027.2401 EPtot = -15234.2247 271c271 < BOND = 346.6937 ANGLE = 852.9589 DIHED = 708.8392 > BOND = 426.6323 ANGLE = 982.2259 DIHED = 711.5846 272c272 < 1-4 NB = 479.7724 1-4 EEL = 7880.8466 VDWAALS = -1192.7102 > 1-4 NB = 475.0932 1-4 EEL = 7544.9986 VDWAALS = -1154.0039 273c273 < EELEC = -388.1982 EGB = -12523.7966 RESTRAINT = 0.0799 > EELEC = -2375.4038 EGB = -21845.4006 RESTRAINT = 0.0490 274c274 < EAMBER (non-restraint) = -3835.5942 > EAMBER (non-restraint) = -15234.2737 276c276 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.080 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.049 279c279 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 102.22 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 108.01 PRESS = 0. 280c280 < Etot = -2908.1858 EKtot = 758.6675 EPtot = -3666.8532 > Etot = -12516.6056 EKtot = 801.6333 EPtot = -13318.2389 281c281 < BOND = 312.5271 ANGLE = 1018.7195 DIHED = 720.0789 > BOND = 330.1580 ANGLE = 1078.3807 DIHED = 719.7761 282c282 < 1-4 NB = 496.7121 1-4 EEL = 7876.8275 VDWAALS = -1179.0407 > 1-4 NB = 497.5353 1-4 EEL = 7716.5373 VDWAALS = -1178.4663 283c283 < EELEC = -394.5287 EGB = -12518.1748 RESTRAINT = 0.0259 > EELEC = -925.4738 EGB = -21556.7113 RESTRAINT = 0.0251 284c284 < EAMBER (non-restraint) = -3666.8791 > EAMBER (non-restraint) = -13318.2639 286c286 < NMR restraints: Bond = 0. Angle = 0. Torsion = 0.080 > NMR restraints: Bond = 0. Angle = 0. Torsion = 0.049 289c289 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 42.13 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 44.61 PRESS = 0. 290c290 < Etot = 8.5198 EKtot = 312.7321 EPtot = 310.2351 > Etot = 661.7621 EKtot = 331.0878 EPtot = 879.0958 291c291 < BOND = 57.7700 ANGLE = 198.8349 DIHED = 41.4832 > BOND = 65.8902 ANGLE = 189.1253 DIHED = 41.6390 292c292 < 1-4 NB = 13.5754 1-4 EEL = 2.6611 VDWAALS = 12.6439 > 1-4 NB = 14.1598 1-4 EEL = 113.8949 VDWAALS = 14.6330 293c293 < EELEC = 6.6872 EGB = 14.5470 RESTRAINT = 0.0224 > EELEC = 547.7424 EGB = 134.4502 RESTRAINT = 0.0179 294c294 < EAMBER (non-restraint) = 310.2128 > EAMBER (non-restraint) = 879.0779 303c303 < Total torsion penalty: 0.085 > Total torsion penalty: 0.052 ### Maximum absolute error in matching lines = 1.14e+04 at line 274 field 4 ### Maximum relative error in matching lines = 8.09e+01 at line 293 field 3 --------------------------------------- possible FAILURE: check torsion_gb.dat.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/nmropt_1_torsion 3c3 < 2 18.264 > 2 18.294 4c4 < 4 19.272 > 4 19.380 5c5 < 6 20.462 > 6 20.672 6c6 < 8 21.334 > 8 21.643 7c7 < 10 21.529 > 10 21.913 8c8 < 12 20.964 > 12 21.396 9c9 < 14 19.855 > 14 20.319 10c10 < 16 18.618 > 16 19.111 11c11 < 18 17.688 > 18 18.220 ### Maximum absolute error in matching lines = 5.32e-01 at line 11 field 2 ### Maximum relative error in matching lines = 3.01e-02 at line 11 field 2 --------------------------------------- possible FAILURE: check mdout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/tautp 78c78 < Etot = -2918.6875 EKtot = 0. EPtot = -2918.6875 > Etot = -11864.0786 EKtot = 0. EPtot = -11864.0786 81c81 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 0. > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 0. 86c86 < Etot = -2918.6875 EKtot = 0. EPtot = -2918.6875 > Etot = -11864.0786 EKtot = 0. EPtot = -11864.0786 89c89 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 0. > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 0. 93c93 < NSTEP = 2 TIME(PS) = 0.002 TEMP(K) = 11.15 PRESS = 0. > NSTEP = 2 TIME(PS) = 0.002 TEMP(K) = 10.95 PRESS = 0. 94c94 < Etot = -2911.9891 EKtot = 82.7416 EPtot = -2994.7307 > Etot = -11861.2758 EKtot = 81.2671 EPtot = -11942.5429 95c95 < BOND = 427.4501 ANGLE = 1399.6808 DIHED = 797.3889 > BOND = 427.3220 ANGLE = 1399.7897 DIHED = 797.3509 96c96 < 1-4 NB = 525.0625 1-4 EEL = 7881.4469 VDWAALS = -1153.1753 > 1-4 NB = 525.2073 1-4 EEL = 7878.3596 VDWAALS = -1153.0946 97c97 < EELEC = -384.8572 EGB = -12487.7273 RESTRAINT = 0. > EELEC = -387.0212 EGB = -21430.4566 RESTRAINT = 0. 101c101 < NSTEP = 3 TIME(PS) = 0.003 TEMP(K) = 39.53 PRESS = 0. > NSTEP = 3 TIME(PS) = 0.003 TEMP(K) = 39.20 PRESS = 0. 102c102 < Etot = -2909.2642 EKtot = 293.3758 EPtot = -3202.6400 > Etot = -11874.3512 EKtot = 290.9362 EPtot = -12165.2875 103c103 < BOND = 380.6979 ANGLE = 1273.1178 DIHED = 789.1626 > BOND = 377.5944 ANGLE = 1273.4945 DIHED = 789.0035 104c104 < 1-4 NB = 519.6942 1-4 EEL = 7880.8302 VDWAALS = -1158.1242 > 1-4 NB = 520.2403 1-4 EEL = 7868.5434 VDWAALS = -1158.5293 105c105 < EELEC = -391.0332 EGB = -12496.9853 RESTRAINT = 0. > EELEC = -403.4521 EGB = -21432.1824 RESTRAINT = 0. 109c109 < NSTEP = 4 TIME(PS) = 0.004 TEMP(K) = 75.77 PRESS = 0. > NSTEP = 4 TIME(PS) = 0.004 TEMP(K) = 76.07 PRESS = 0. 110c110 < Etot = -2908.3312 EKtot = 562.4035 EPtot = -3470.7346 > Etot = -11899.0393 EKtot = 564.6239 EPtot = -12463.6632 111c111 < BOND = 329.1964 ANGLE = 1102.8583 DIHED = 776.6458 > BOND = 318.0589 ANGLE = 1104.0552 DIHED = 776.3097 112c112 < 1-4 NB = 512.2670 1-4 EEL = 7879.7981 VDWAALS = -1164.5905 > 1-4 NB = 513.3546 1-4 EEL = 7853.5485 VDWAALS = -1165.8102 113c113 < EELEC = -398.5720 EGB = -12508.3377 RESTRAINT = 0. > EELEC = -428.4455 EGB = -21434.7344 RESTRAINT = 0. 117c117 < NSTEP = 5 TIME(PS) = 0.005 TEMP(K) = 110.66 PRESS = 0. > NSTEP = 5 TIME(PS) = 0.005 TEMP(K) = 112.16 PRESS = 0. 118c118 < Etot = -2908.1117 EKtot = 821.2998 EPtot = -3729.4116 > Etot = -11934.7144 EKtot = 832.5037 EPtot = -12767.2181 119c119 < BOND = 284.2798 ANGLE = 935.3054 DIHED = 761.3180 > BOND = 265.0044 ANGLE = 938.5670 DIHED = 760.7868 120c120 < 1-4 NB = 504.3975 1-4 EEL = 7878.3779 VDWAALS = -1171.0026 > 1-4 NB = 506.0401 1-4 EEL = 7834.9776 VDWAALS = -1173.6545 121c121 < EELEC = -404.5298 EGB = -12517.5579 RESTRAINT = 0. > EELEC = -461.1965 EGB = -21437.7429 RESTRAINT = 0. 125c125 < NSTEP = 6 TIME(PS) = 0.006 TEMP(K) = 137.16 PRESS = 0. > NSTEP = 6 TIME(PS) = 0.006 TEMP(K) = 139.73 PRESS = 0. 126c126 < Etot = -2908.0276 EKtot = 1018.0589 EPtot = -3926.0866 > Etot = -11980.7433 EKtot = 1037.1331 EPtot = -13017.8764 127c127 < BOND = 246.8617 ANGLE = 812.8277 DIHED = 744.7786 > BOND = 227.3110 ANGLE = 820.2387 DIHED = 744.0818 128c128 < 1-4 NB = 497.4911 1-4 EEL = 7876.7072 VDWAALS = -1176.2771 > 1-4 NB = 499.6069 1-4 EEL = 7814.3879 VDWAALS = -1181.0245 129c129 < EELEC = -406.6994 EGB = -12521.7764 RESTRAINT = 0. > EELEC = -500.9962 EGB = -21441.4819 RESTRAINT = 0. 133c133 < NSTEP = 7 TIME(PS) = 0.007 TEMP(K) = 150.46 PRESS = 0. > NSTEP = 7 TIME(PS) = 0.007 TEMP(K) = 153.73 PRESS = 0. 134c134 < Etot = -2907.3086 EKtot = 1116.7334 EPtot = -4024.0419 > Etot = -12036.5208 EKtot = 1141.0104 EPtot = -13177.5313 135c135 < BOND = 222.7118 ANGLE = 762.2609 DIHED = 728.5094 > BOND = 211.9871 ANGLE = 776.4074 DIHED = 727.7158 136c136 < 1-4 NB = 492.4855 1-4 EEL = 7875.0791 VDWAALS = -1179.8820 > 1-4 NB = 494.9454 1-4 EEL = 7792.9592 VDWAALS = -1187.1133 137c137 < EELEC = -404.4876 EGB = -12520.7190 RESTRAINT = 0. > EELEC = -547.4648 EGB = -21446.9680 RESTRAINT = 0. 141c141 < NSTEP = 8 TIME(PS) = 0.008 TEMP(K) = 148.63 PRESS = 0. > NSTEP = 8 TIME(PS) = 0.008 TEMP(K) = 152.70 PRESS = 0. 142c142 < Etot = -2904.6781 EKtot = 1103.1233 EPtot = -4007.8015 > Etot = -12101.1274 EKtot = 1133.3270 EPtot = -13234.4544 143c143 < BOND = 223.5815 ANGLE = 788.7649 DIHED = 713.7085 > BOND = 224.4668 ANGLE = 812.1579 DIHED = 712.8980 144c144 < 1-4 NB = 489.7735 1-4 EEL = 7873.8808 VDWAALS = -1181.7578 > 1-4 NB = 492.4452 1-4 EEL = 7771.3204 VDWAALS = -1191.2511 145c145 < EELEC = -399.0910 EGB = -12516.6619 RESTRAINT = 0. > EELEC = -600.7246 EGB = -21455.7669 RESTRAINT = 0. 149c149 < NSTEP = 9 TIME(PS) = 0.009 TEMP(K) = 134.32 PRESS = 0. > NSTEP = 9 TIME(PS) = 0.009 TEMP(K) = 139.52 PRESS = 0. 150c150 < Etot = -2899.9969 EKtot = 996.9138 EPtot = -3896.9107 > Etot = -12174.1457 EKtot = 1035.5138 EPtot = -13209.6595 151c151 < BOND = 251.2618 ANGLE = 876.2431 DIHED = 701.2122 > BOND = 261.0554 ANGLE = 910.9636 DIHED = 700.4383 152c152 < 1-4 NB = 489.2342 1-4 EEL = 7873.4203 VDWAALS = -1182.2507 > 1-4 NB = 492.0098 1-4 EEL = 7749.5626 VDWAALS = -1192.9294 153c153 < EELEC = -392.8895 EGB = -12513.1421 RESTRAINT = 0. > EELEC = -661.1865 EGB = -21469.5733 RESTRAINT = 0. 157c157 < NSTEP = 10 TIME(PS) = 0.010 TEMP(K) = 114.43 PRESS = 0. > NSTEP = 10 TIME(PS) = 0.010 TEMP(K) = 120.72 PRESS = 0. 158c158 < Etot = -2894.8800 EKtot = 849.3315 EPtot = -3744.2115 > Etot = -12256.3718 EKtot = 896.0179 EPtot = -13152.3897 159c159 < BOND = 290.2887 ANGLE = 993.4984 DIHED = 691.4951 > BOND = 306.0688 ANGLE = 1041.1891 DIHED = 690.7560 160c160 < 1-4 NB = 490.3266 1-4 EEL = 7873.7616 VDWAALS = -1182.0152 > 1-4 NB = 493.1294 1-4 EEL = 7727.4474 VDWAALS = -1192.3261 161c161 < EELEC = -388.3889 EGB = -12513.1779 RESTRAINT = 0. > EELEC = -729.1895 EGB = -21489.4648 RESTRAINT = 0. 165c165 < NSTEP = 11 TIME(PS) = 0.011 TEMP(K) = 96.85 PRESS = 0. > NSTEP = 11 TIME(PS) = 0.011 TEMP(K) = 103.87 PRESS = 0. 166c166 < Etot = -2891.0584 EKtot = 718.8651 EPtot = -3609.9235 > Etot = -12350.0316 EKtot = 770.9081 EPtot = -13120.9396 167c167 < BOND = 321.4730 ANGLE = 1103.8548 DIHED = 684.7149 > BOND = 341.0528 ANGLE = 1165.7590 DIHED = 683.9520 168c168 < 1-4 NB = 492.2274 1-4 EEL = 7874.6638 VDWAALS = -1181.8156 > 1-4 NB = 494.9979 1-4 EEL = 7704.7278 VDWAALS = -1191.1712 169c169 < EELEC = -387.2017 EGB = -12517.8401 RESTRAINT = 0. > EELEC = -804.7562 EGB = -21515.5015 RESTRAINT = 0. 173c173 < NSTEP = 12 TIME(PS) = 0.012 TEMP(K) = 87.00 PRESS = 0. > NSTEP = 12 TIME(PS) = 0.012 TEMP(K) = 94.57 PRESS = 0. 174c174 < Etot = -2888.8657 EKtot = 645.6911 EPtot = -3534.5567 > Etot = -12456.7747 EKtot = 701.9450 EPtot = -13158.7197 175c175 < BOND = 336.9841 ANGLE = 1175.5113 DIHED = 680.7741 > BOND = 356.7061 ANGLE = 1252.2328 DIHED = 679.9053 176c176 < 1-4 NB = 494.0141 1-4 EEL = 7875.6553 VDWAALS = -1182.2569 > 1-4 NB = 496.6790 1-4 EEL = 7681.4494 VDWAALS = -1191.2926 177c177 < EELEC = -389.4686 EGB = -12525.7702 RESTRAINT = 0. > EELEC = -887.8092 EGB = -21546.5906 RESTRAINT = 0. 181c181 < NSTEP = 13 TIME(PS) = 0.013 TEMP(K) = 86.84 PRESS = 0. > NSTEP = 13 TIME(PS) = 0.013 TEMP(K) = 95.11 PRESS = 0. 182c182 < Etot = -2887.7202 EKtot = 644.5575 EPtot = -3532.2777 > Etot = -12575.3697 EKtot = 705.8967 EPtot = -13281.2664 183c183 < BOND = 338.5573 ANGLE = 1189.9969 DIHED = 679.3939 > BOND = 355.1889 ANGLE = 1281.0286 DIHED = 678.3709 184c184 < 1-4 NB = 494.8795 1-4 EEL = 7876.2312 VDWAALS = -1183.5775 > 1-4 NB = 497.3164 1-4 EEL = 7658.1041 VDWAALS = -1191.6849 185c185 < EELEC = -393.8977 EGB = -12533.8613 RESTRAINT = 0. > EELEC = -978.6595 EGB = -21580.9308 RESTRAINT = 0. 189c189 < NSTEP = 14 TIME(PS) = 0.014 TEMP(K) = 95.60 PRESS = 0. > NSTEP = 14 TIME(PS) = 0.014 TEMP(K) = 104.49 PRESS = 0. 190c190 < Etot = -2887.8037 EKtot = 709.5716 EPtot = -3597.3753 > Etot = -12705.5126 EKtot = 775.5173 EPtot = -13481.0300 191c191 < BOND = 328.1982 ANGLE = 1146.5909 DIHED = 680.1989 > BOND = 343.9506 ANGLE = 1250.0302 DIHED = 679.0603 192c192 < 1-4 NB = 494.3363 1-4 EEL = 7876.1028 VDWAALS = -1185.6208 > 1-4 NB = 496.3505 1-4 EEL = 7635.5651 VDWAALS = -1190.9084 193c193 < EELEC = -398.3744 EGB = -12538.8071 RESTRAINT = 0. > EELEC = -1078.1790 EGB = -21616.8994 RESTRAINT = 0. 197c197 < NSTEP = 15 TIME(PS) = 0.015 TEMP(K) = 110.20 PRESS = 0. > NSTEP = 15 TIME(PS) = 0.015 TEMP(K) = 119.38 PRESS = 0. 198c198 < Etot = -2889.1049 EKtot = 817.9113 EPtot = -3707.0162 > Etot = -12849.4124 EKtot = 886.0741 EPtot = -13735.4866 199c199 < BOND = 308.5823 ANGLE = 1061.4806 DIHED = 682.7952 > BOND = 330.9303 ANGLE = 1174.3323 DIHED = 681.6880 200c200 < 1-4 NB = 492.3436 1-4 EEL = 7875.3850 VDWAALS = -1187.9728 > 1-4 NB = 493.6745 1-4 EEL = 7614.8408 VDWAALS = -1189.1953 201c201 < EELEC = -400.8882 EGB = -12538.7420 RESTRAINT = 0. > EELEC = -1188.1877 EGB = -21653.5696 RESTRAINT = 0. 205c205 < NSTEP = 16 TIME(PS) = 0.016 TEMP(K) = 125.58 PRESS = 0. > NSTEP = 16 TIME(PS) = 0.016 TEMP(K) = 134.97 PRESS = 0. 206c206 < Etot = -2890.8167 EKtot = 932.0876 EPtot = -3822.9043 > Etot = -13011.6893 EKtot = 1001.7580 EPtot = -14013.4473 207c207 < BOND = 289.2881 ANGLE = 961.8263 DIHED = 686.8123 > BOND = 324.4882 ANGLE = 1080.8513 DIHED = 685.9726 208c208 < 1-4 NB = 489.2986 1-4 EEL = 7874.5972 VDWAALS = -1190.1505 > 1-4 NB = 489.6588 1-4 EEL = 7596.7145 VDWAALS = -1186.5910 209c209 < EELEC = -400.3975 EGB = -12534.1789 RESTRAINT = 0. > EELEC = -1312.9819 EGB = -21691.5599 RESTRAINT = 0. 213c213 < NSTEP = 17 TIME(PS) = 0.017 TEMP(K) = 136.44 PRESS = 0. > NSTEP = 17 TIME(PS) = 0.017 TEMP(K) = 146.34 PRESS = 0. 214c214 < Etot = -2891.6008 EKtot = 1012.6595 EPtot = -3904.2603 > Etot = -13203.1354 EKtot = 1086.1386 EPtot = -14289.2740 215c215 < BOND = 283.6226 ANGLE = 876.5827 DIHED = 691.8936 > BOND = 332.6563 ANGLE = 999.1968 DIHED = 691.5996 216c216 < 1-4 NB = 485.8826 1-4 EEL = 7874.4402 VDWAALS = -1191.7564 > 1-4 NB = 485.0211 1-4 EEL = 7581.4170 VDWAALS = -1182.0793 217c217 < EELEC = -397.2367 EGB = -12527.6889 RESTRAINT = 0. > EELEC = -1463.0601 EGB = -21734.0254 RESTRAINT = 0. 221c221 < NSTEP = 18 TIME(PS) = 0.018 TEMP(K) = 139.68 PRESS = 0. > NSTEP = 18 TIME(PS) = 0.018 TEMP(K) = 150.33 PRESS = 0. 222c222 < Etot = -2890.8442 EKtot = 1036.7244 EPtot = -3927.5686 > Etot = -13454.5874 EKtot = 1115.7890 EPtot = -14570.3763 223c223 < BOND = 297.1569 ANGLE = 827.3702 DIHED = 697.6513 > BOND = 358.4369 ANGLE = 952.1406 DIHED = 698.1746 224c224 < 1-4 NB = 482.8288 1-4 EEL = 7875.4593 VDWAALS = -1192.5935 > 1-4 NB = 480.5983 1-4 EEL = 7568.4464 VDWAALS = -1174.6531 225c225 < EELEC = -392.8975 EGB = -12522.5441 RESTRAINT = 0. > EELEC = -1670.0366 EGB = -21783.4834 RESTRAINT = 0. 229c229 < NSTEP = 19 TIME(PS) = 0.019 TEMP(K) = 135.57 PRESS = 0. > NSTEP = 19 TIME(PS) = 0.019 TEMP(K) = 146.83 PRESS = 0. 230c230 < Etot = -2889.0033 EKtot = 1006.2474 EPtot = -3895.2507 > Etot = -13883.4788 EKtot = 1089.7823 EPtot = -14973.2611 231c231 < BOND = 323.1937 ANGLE = 822.6381 DIHED = 703.6275 > BOND = 395.5098 ANGLE = 949.3533 DIHED = 705.2031 232c232 < 1-4 NB = 480.7043 1-4 EEL = 7877.7612 VDWAALS = -1192.7540 > 1-4 NB = 477.1200 1-4 EEL = 7556.6238 VDWAALS = -1163.9730 233c233 < EELEC = -389.3155 EGB = -12521.1060 RESTRAINT = 0. > EELEC = -2097.9370 EGB = -21795.1613 RESTRAINT = 0. 237c237 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 126.86 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 138.57 PRESS = 0. 238c238 < Etot = -2886.7702 EKtot = 941.5961 EPtot = -3828.3664 > Etot = -14479.2051 EKtot = 1028.4929 EPtot = -15507.6980 239c239 < BOND = 349.3279 ANGLE = 856.7514 DIHED = 709.2939 > BOND = 429.8096 ANGLE = 986.3078 DIHED = 712.1167 240c240 < 1-4 NB = 479.7772 1-4 EEL = 7880.9184 VDWAALS = -1192.6434 > 1-4 NB = 475.0590 1-4 EEL = 7544.4005 VDWAALS = -1149.9038 241c241 < EELEC = -388.0209 EGB = -12523.7708 RESTRAINT = 0. > EELEC = -2644.8045 EGB = -21860.6832 RESTRAINT = 0. 246c246 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 103.14 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 108.96 PRESS = 0. 247c247 < Etot = -2898.2431 EKtot = 765.4947 EPtot = -3663.7378 > Etot = -12547.5783 EKtot = 808.7318 EPtot = -13356.3100 248c248 < BOND = 313.9493 ANGLE = 1020.5873 DIHED = 720.0763 > BOND = 331.6935 ANGLE = 1080.6341 DIHED = 719.7767 249c249 < 1-4 NB = 496.6988 1-4 EEL = 7876.8081 VDWAALS = -1179.0796 > 1-4 NB = 497.5203 1-4 EEL = 7715.7520 VDWAALS = -1177.9281 250c250 < EELEC = -394.5417 EGB = -12518.2361 RESTRAINT = 0. > EELEC = -961.4338 EGB = -21562.3248 RESTRAINT = 0. 255c255 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 42.28 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 44.73 PRESS = 0. 256c256 < Etot = 9.9374 EKtot = 313.8100 EPtot = 309.1400 > Etot = 719.0757 EKtot = 332.0227 EPtot = 929.8098 257c257 < BOND = 57.4509 ANGLE = 198.9019 DIHED = 41.3390 > BOND = 66.0552 ANGLE = 189.5561 DIHED = 41.4944 258c258 < 1-4 NB = 13.5539 1-4 EEL = 2.6807 VDWAALS = 12.6169 > 1-4 NB = 14.1545 1-4 EEL = 114.1051 VDWAALS = 14.9812 259c259 < EELEC = 6.7901 EGB = 14.5756 RESTRAINT = 0. > EELEC = 602.7546 EGB = 139.5173 RESTRAINT = 0. ### Maximum absolute error in matching lines = 1.16e+04 at line 238 field 3 ### Maximum relative error in matching lines = 8.78e+01 at line 259 field 3 --------------------------------------- possible FAILURE: check mdout.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/temp 78c78 < Etot = -2918.6875 EKtot = 0. EPtot = -2918.6875 > Etot = -11864.0786 EKtot = 0. EPtot = -11864.0786 81c81 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 0. > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 0. 86c86 < Etot = -2918.6875 EKtot = 0. EPtot = -2918.6875 > Etot = -11864.0786 EKtot = 0. EPtot = -11864.0786 89c89 < EELEC = -382.5872 EGB = -12484.3279 RESTRAINT = 0. > EELEC = -382.5872 EGB = -21429.7190 RESTRAINT = 0. 93c93 < NSTEP = 2 TIME(PS) = 0.002 TEMP(K) = 10.01 PRESS = 0. > NSTEP = 2 TIME(PS) = 0.002 TEMP(K) = 9.80 PRESS = 0. 94c94 < Etot = -2920.4641 EKtot = 74.2666 EPtot = -2994.7307 > Etot = -11869.7727 EKtot = 72.7702 EPtot = -11942.5429 95c95 < BOND = 427.4501 ANGLE = 1399.6808 DIHED = 797.3889 > BOND = 427.3220 ANGLE = 1399.7897 DIHED = 797.3509 96c96 < 1-4 NB = 525.0625 1-4 EEL = 7881.4469 VDWAALS = -1153.1753 > 1-4 NB = 525.2073 1-4 EEL = 7878.3596 VDWAALS = -1153.0946 97c97 < EELEC = -384.8572 EGB = -12487.7273 RESTRAINT = 0. > EELEC = -387.0212 EGB = -21430.4566 RESTRAINT = 0. 101c101 < NSTEP = 3 TIME(PS) = 0.003 TEMP(K) = 36.54 PRESS = 0. > NSTEP = 3 TIME(PS) = 0.003 TEMP(K) = 36.18 PRESS = 0. 102c102 < Etot = -2924.5797 EKtot = 271.1769 EPtot = -3195.7567 > Etot = -11886.0931 EKtot = 268.5264 EPtot = -12154.6194 103c103 < BOND = 382.0539 ANGLE = 1277.3748 DIHED = 789.4451 > BOND = 379.1896 ANGLE = 1277.8466 DIHED = 789.2979 104c104 < 1-4 NB = 519.8771 1-4 EEL = 7880.8510 VDWAALS = -1157.9558 > 1-4 NB = 520.4134 1-4 EEL = 7868.9106 VDWAALS = -1157.7944 105c105 < EELEC = -390.7870 EGB = -12496.6157 RESTRAINT = 0. > EELEC = -400.0868 EGB = -21432.3961 RESTRAINT = 0. 109c109 < NSTEP = 4 TIME(PS) = 0.004 TEMP(K) = 71.32 PRESS = 0. > NSTEP = 4 TIME(PS) = 0.004 TEMP(K) = 71.51 PRESS = 0. 110c110 < Etot = -2929.0056 EKtot = 529.3260 EPtot = -3458.3316 > Etot = -11911.7963 EKtot = 530.7655 EPtot = -12442.5618 111c111 < BOND = 330.8818 ANGLE = 1110.9857 DIHED = 777.2710 > BOND = 320.5371 ANGLE = 1112.3160 DIHED = 776.9603 112c112 < 1-4 NB = 512.6338 1-4 EEL = 7879.8503 VDWAALS = -1164.2709 > 1-4 NB = 513.7009 1-4 EEL = 7854.3945 VDWAALS = -1164.3986 113c113 < EELEC = -398.0818 EGB = -12507.6015 RESTRAINT = 0. > EELEC = -421.1728 EGB = -21434.8991 RESTRAINT = 0. 117c117 < NSTEP = 5 TIME(PS) = 0.005 TEMP(K) = 105.53 PRESS = 0. > NSTEP = 5 TIME(PS) = 0.005 TEMP(K) = 106.87 PRESS = 0. 118c118 < Etot = -2932.6844 EKtot = 783.2915 EPtot = -3715.9760 > Etot = -11946.1176 EKtot = 793.2074 EPtot = -12739.3249 119c119 < BOND = 285.2241 ANGLE = 944.4715 DIHED = 762.2394 > BOND = 267.1019 ANGLE = 947.7674 DIHED = 761.7445 120c120 < 1-4 NB = 504.8653 1-4 EEL = 7878.4703 VDWAALS = -1170.6181 > 1-4 NB = 506.4802 1-4 EEL = 7836.2963 VDWAALS = -1171.7440 121c121 < EELEC = -403.9486 EGB = -12516.6797 RESTRAINT = 0. > EELEC = -449.5250 EGB = -21437.4461 RESTRAINT = 0. 125c125 < NSTEP = 6 TIME(PS) = 0.006 TEMP(K) = 132.15 PRESS = 0. > NSTEP = 6 TIME(PS) = 0.006 TEMP(K) = 134.55 PRESS = 0. 126c126 < Etot = -2935.6409 EKtot = 980.8655 EPtot = -3916.5063 > Etot = -11989.0894 EKtot = 998.6633 EPtot = -12987.7526 127c127 < BOND = 246.7605 ANGLE = 819.2727 DIHED = 745.8880 > BOND = 228.0301 ANGLE = 826.4447 DIHED = 745.2326 128c128 < 1-4 NB = 497.9475 1-4 EEL = 7876.8428 VDWAALS = -1175.9215 > 1-4 NB = 500.0325 1-4 EEL = 7816.1045 VDWAALS = -1178.8792 129c129 < EELEC = -406.2413 EGB = -12521.0550 RESTRAINT = 0. > EELEC = -484.5370 EGB = -21440.1808 RESTRAINT = 0. 133c133 < NSTEP = 7 TIME(PS) = 0.007 TEMP(K) = 146.21 PRESS = 0. > NSTEP = 7 TIME(PS) = 0.007 TEMP(K) = 149.36 PRESS = 0. 134c134 < Etot = -2937.4438 EKtot = 1085.1773 EPtot = -4022.6211 > Etot = -12040.6876 EKtot = 1108.5427 EPtot = -13149.2303 135c135 < BOND = 221.1922 ANGLE = 762.7518 DIHED = 729.6759 > BOND = 210.5062 ANGLE = 776.2524 DIHED = 728.9219 136c136 < 1-4 NB = 492.8282 1-4 EEL = 7875.2483 VDWAALS = -1179.6258 > 1-4 NB = 495.2566 1-4 EEL = 7794.9776 VDWAALS = -1185.0818 137c137 < EELEC = -404.3248 EGB = -12520.3669 RESTRAINT = 0. > EELEC = -525.9730 EGB = -21444.0902 RESTRAINT = 0. 141c141 < NSTEP = 8 TIME(PS) = 0.008 TEMP(K) = 145.57 PRESS = 0. > NSTEP = 8 TIME(PS) = 0.008 TEMP(K) = 149.54 PRESS = 0. 142c142 < Etot = -2937.0514 EKtot = 1080.4215 EPtot = -4017.4729 > Etot = -12100.5111 EKtot = 1109.9314 EPtot = -13210.4425 143c143 < BOND = 219.7542 ANGLE = 781.6009 DIHED = 714.8050 > BOND = 220.0950 ANGLE = 803.8976 DIHED = 714.0274 144c144 < 1-4 NB = 489.9314 1-4 EEL = 7874.0581 VDWAALS = -1181.6390 > 1-4 NB = 492.5706 1-4 EEL = 7773.5565 VDWAALS = -1189.7716 145c145 < EELEC = -399.2797 EGB = -12516.7039 RESTRAINT = 0. > EELEC = -574.0272 EGB = -21450.7908 RESTRAINT = 0. 149c149 < NSTEP = 9 TIME(PS) = 0.009 TEMP(K) = 132.49 PRESS = 0. > NSTEP = 9 TIME(PS) = 0.009 TEMP(K) = 137.60 PRESS = 0. 150c150 < Etot = -2934.3730 EKtot = 983.3889 EPtot = -3917.7618 > Etot = -12168.4896 EKtot = 1021.2544 EPtot = -13189.7440 151c151 < BOND = 244.7228 ANGLE = 861.6743 DIHED = 702.1310 > BOND = 253.8042 ANGLE = 894.8883 DIHED = 701.3818 152c152 < 1-4 NB = 489.1769 1-4 EEL = 7873.5724 VDWAALS = -1182.2689 > 1-4 NB = 491.9171 1-4 EEL = 7751.9649 VDWAALS = -1192.4669 153c153 < EELEC = -393.3521 EGB = -12513.4181 RESTRAINT = 0. > EELEC = -629.1709 EGB = -21462.0626 RESTRAINT = 0. 157c157 < NSTEP = 10 TIME(PS) = 0.010 TEMP(K) = 113.43 PRESS = 0. > NSTEP = 10 TIME(PS) = 0.010 TEMP(K) = 119.62 PRESS = 0. 158c158 < Etot = -2930.9444 EKtot = 841.9237 EPtot = -3772.8680 > Etot = -12245.3700 EKtot = 887.8671 EPtot = -13133.2371 159c159 < BOND = 282.0128 ANGLE = 973.5499 DIHED = 692.1551 > BOND = 297.0701 ANGLE = 1019.4081 DIHED = 691.4353 160c160 < 1-4 NB = 490.0663 1-4 EEL = 7873.8615 VDWAALS = -1182.1330 > 1-4 NB = 492.8286 1-4 EEL = 7730.0006 VDWAALS = -1192.9919 161c161 < EELEC = -388.9526 EGB = -12513.4281 RESTRAINT = 0. > EELEC = -691.8346 EGB = -21479.1533 RESTRAINT = 0. 165c165 < NSTEP = 11 TIME(PS) = 0.011 TEMP(K) = 96.01 PRESS = 0. > NSTEP = 11 TIME(PS) = 0.011 TEMP(K) = 102.94 PRESS = 0. 166c166 < Etot = -2928.4960 EKtot = 712.5938 EPtot = -3641.0897 > Etot = -12332.7413 EKtot = 764.0139 EPtot = -13096.7552 167c167 < BOND = 313.1122 ANGLE = 1081.6885 DIHED = 685.0625 > BOND = 332.0107 ANGLE = 1141.5331 DIHED = 684.3184 168c168 < 1-4 NB = 491.8153 1-4 EEL = 7874.7034 VDWAALS = -1181.9704 > 1-4 NB = 494.5387 1-4 EEL = 7707.4405 VDWAALS = -1192.1558 169c169 < EELEC = -387.6723 EGB = -12517.8289 RESTRAINT = 0. > EELEC = -762.1220 EGB = -21502.3188 RESTRAINT = 0. 173c173 < NSTEP = 12 TIME(PS) = 0.012 TEMP(K) = 85.68 PRESS = 0. > NSTEP = 12 TIME(PS) = 0.012 TEMP(K) = 93.18 PRESS = 0. 174c174 < Etot = -2927.5065 EKtot = 635.9620 EPtot = -3563.4685 > Etot = -12432.4117 EKtot = 691.5903 EPtot = -13124.0020 175c175 < BOND = 329.5273 ANGLE = 1154.5342 DIHED = 680.7807 > BOND = 348.8455 ANGLE = 1229.0819 DIHED = 679.9346 176c176 < 1-4 NB = 493.5287 1-4 EEL = 7875.6506 VDWAALS = -1182.3844 > 1-4 NB = 496.1422 1-4 EEL = 7684.3318 VDWAALS = -1191.8260 177c177 < EELEC = -389.7060 EGB = -12525.3996 RESTRAINT = 0. > EELEC = -839.8272 EGB = -21530.6847 RESTRAINT = 0. 181c181 < NSTEP = 13 TIME(PS) = 0.013 TEMP(K) = 84.65 PRESS = 0. > NSTEP = 13 TIME(PS) = 0.013 TEMP(K) = 92.80 PRESS = 0. 182c182 < Etot = -2927.6669 EKtot = 628.3209 EPtot = -3555.9878 > Etot = -12544.4813 EKtot = 688.8087 EPtot = -13233.2900 183c183 < BOND = 332.1017 ANGLE = 1172.9509 DIHED = 679.0511 > BOND = 348.7824 ANGLE = 1261.8274 DIHED = 678.0552 184c184 < 1-4 NB = 494.4089 1-4 EEL = 7876.2184 VDWAALS = -1183.6359 > 1-4 NB = 496.7958 1-4 EEL = 7661.1464 VDWAALS = -1192.4669 185c185 < EELEC = -393.8677 EGB = -12533.2152 RESTRAINT = 0. > EELEC = -924.8811 EGB = -21562.5491 RESTRAINT = 0. 189c189 < NSTEP = 14 TIME(PS) = 0.014 TEMP(K) = 92.42 PRESS = 0. > NSTEP = 14 TIME(PS) = 0.014 TEMP(K) = 101.16 PRESS = 0. 190c190 < Etot = -2928.8248 EKtot = 685.9502 EPtot = -3614.7751 > Etot = -12667.7006 EKtot = 750.8554 EPtot = -13418.5559 191c191 < BOND = 322.6635 ANGLE = 1134.8430 DIHED = 679.5119 > BOND = 338.6317 ANGLE = 1236.2818 DIHED = 678.4001 192c192 < 1-4 NB = 493.9552 1-4 EEL = 7876.1223 VDWAALS = -1185.6031 > 1-4 NB = 495.9300 1-4 EEL = 7638.7276 VDWAALS = -1192.5244 193c193 < EELEC = -398.1570 EGB = -12538.1109 RESTRAINT = 0. > EELEC = -1017.7441 EGB = -21596.2586 RESTRAINT = 0. 197c197 < NSTEP = 15 TIME(PS) = 0.015 TEMP(K) = 106.15 PRESS = 0. > NSTEP = 15 TIME(PS) = 0.015 TEMP(K) = 115.20 PRESS = 0. 198c198 < Etot = -2930.9926 EKtot = 787.8657 EPtot = -3718.8584 > Etot = -12802.7603 EKtot = 855.0283 EPtot = -13657.7885 199c199 < BOND = 303.8984 ANGLE = 1054.7108 DIHED = 681.7770 > BOND = 326.0799 ANGLE = 1165.8153 DIHED = 680.6876 200c200 < 1-4 NB = 492.0935 1-4 EEL = 7875.4606 VDWAALS = -1187.9026 > 1-4 NB = 493.4052 1-4 EEL = 7618.0503 VDWAALS = -1191.3841 201c201 < EELEC = -400.6420 EGB = -12538.2542 RESTRAINT = 0. > EELEC = -1119.6195 EGB = -21630.8233 RESTRAINT = 0. 205c205 < NSTEP = 16 TIME(PS) = 0.016 TEMP(K) = 121.06 PRESS = 0. > NSTEP = 16 TIME(PS) = 0.016 TEMP(K) = 130.32 PRESS = 0. 206c206 < Etot = -2933.4644 EKtot = 898.5301 EPtot = -3831.9945 > Etot = -12952.5860 EKtot = 967.2794 EPtot = -13919.8654 207c207 < BOND = 284.8271 ANGLE = 958.2167 DIHED = 685.4815 > BOND = 319.2539 ANGLE = 1075.7671 DIHED = 684.6408 208c208 < 1-4 NB = 489.1766 1-4 EEL = 7874.7199 VDWAALS = -1190.0694 > 1-4 NB = 489.5446 1-4 EEL = 7599.8833 VDWAALS = -1189.3897 209c209 < EELEC = -400.2877 EGB = -12534.0593 RESTRAINT = 0. > EELEC = -1233.2064 EGB = -21666.3589 RESTRAINT = 0. 213c213 < NSTEP = 17 TIME(PS) = 0.017 TEMP(K) = 131.99 PRESS = 0. > NSTEP = 17 TIME(PS) = 0.017 TEMP(K) = 141.75 PRESS = 0. 214c214 < Etot = -2935.0157 EKtot = 979.6504 EPtot = -3914.6661 > Etot = -13123.3598 EKtot = 1052.1237 EPtot = -14175.4835 215c215 < BOND = 278.1475 ANGLE = 873.4937 DIHED = 690.2757 > BOND = 325.9993 ANGLE = 994.8423 DIHED = 689.9540 216c216 < 1-4 NB = 485.8456 1-4 EEL = 7874.5681 VDWAALS = -1191.7095 > 1-4 NB = 485.0195 1-4 EEL = 7584.4715 VDWAALS = -1186.1414 217c217 < EELEC = -397.3628 EGB = -12527.9244 RESTRAINT = 0. > EELEC = -1364.7885 EGB = -21704.8401 RESTRAINT = 0. 221c221 < NSTEP = 18 TIME(PS) = 0.018 TEMP(K) = 135.77 PRESS = 0. > NSTEP = 18 TIME(PS) = 0.018 TEMP(K) = 146.27 PRESS = 0. 222c222 < Etot = -2935.0242 EKtot = 1007.6742 EPtot = -3942.6984 > Etot = -13330.8113 EKtot = 1085.6435 EPtot = -14416.4548 223c223 < BOND = 289.7660 ANGLE = 822.2416 DIHED = 695.7824 > BOND = 349.6361 ANGLE = 945.8479 DIHED = 696.2470 224c224 < 1-4 NB = 482.8096 1-4 EEL = 7875.5345 VDWAALS = -1192.6163 > 1-4 NB = 480.6354 1-4 EEL = 7571.3568 VDWAALS = -1180.5939 225c225 < EELEC = -393.2533 EGB = -12522.9629 RESTRAINT = 0. > EELEC = -1530.2070 EGB = -21749.3772 RESTRAINT = 0. 229c229 < NSTEP = 19 TIME(PS) = 0.019 TEMP(K) = 132.37 PRESS = 0. > NSTEP = 19 TIME(PS) = 0.019 TEMP(K) = 143.49 PRESS = 0. 230c230 < Etot = -2933.8441 EKtot = 982.4819 EPtot = -3916.3260 > Etot = -13589.5631 EKtot = 1065.0376 EPtot = -14654.6007 231c231 < BOND = 314.1100 ANGLE = 813.7654 DIHED = 701.5578 > BOND = 384.7999 ANGLE = 939.3090 DIHED = 703.0431 232c232 < 1-4 NB = 480.6333 1-4 EEL = 7877.7361 VDWAALS = -1192.8600 > 1-4 NB = 477.1109 1-4 EEL = 7559.4221 VDWAALS = -1172.1000 233c233 < EELEC = -389.7981 EGB = -12521.4705 RESTRAINT = 0. > EELEC = -1786.9058 EGB = -21759.2800 RESTRAINT = 0. 237c237 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 124.26 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 135.86 PRESS = 0. 238c238 < Etot = -2932.1015 EKtot = 922.2941 EPtot = -3854.3956 > Etot = -14140.9749 EKtot = 1008.3539 EPtot = -15149.3288 239c239 < BOND = 339.6348 ANGLE = 843.6882 DIHED = 707.0886 > BOND = 418.4703 ANGLE = 971.9742 DIHED = 709.7903 240c240 < 1-4 NB = 479.6002 1-4 EEL = 7880.7778 VDWAALS = -1192.8146 > 1-4 NB = 474.9265 1-4 EEL = 7547.1777 VDWAALS = -1160.5351 241c241 < EELEC = -388.4804 EGB = -12523.8903 RESTRAINT = 0. > EELEC = -2291.7424 EGB = -21819.3902 RESTRAINT = 0. 246c246 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 100.18 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 105.90 PRESS = 0. 247c247 < Etot = -2930.6906 EKtot = 743.5581 EPtot = -3674.2486 > Etot = -12496.9698 EKtot = 786.0131 EPtot = -13282.9829 248c248 < BOND = 309.7056 ANGLE = 1014.3040 DIHED = 719.8760 > BOND = 327.1219 ANGLE = 1073.2738 DIHED = 719.5787 249c249 < 1-4 NB = 496.6604 1-4 EEL = 7876.8669 VDWAALS = -1179.0275 > 1-4 NB = 497.4704 1-4 EEL = 7717.9109 VDWAALS = -1179.3358 250c250 < EELEC = -394.5820 EGB = -12518.0520 RESTRAINT = 0. > EELEC = -890.8490 EGB = -21548.1538 RESTRAINT = 0. 255c255 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 41.47 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 43.92 PRESS = 0. 256c256 < Etot = 5.0090 EKtot = 307.7970 EPtot = 312.6900 > Etot = 630.6857 EKtot = 325.9599 EPtot = 845.5583 257c257 < BOND = 58.1846 ANGLE = 199.0268 DIHED = 41.7668 > BOND = 65.2247 ANGLE = 188.4503 DIHED = 41.9108 258c258 < 1-4 NB = 13.6493 1-4 EEL = 2.6304 VDWAALS = 12.6776 > 1-4 NB = 14.2320 1-4 EEL = 113.1734 VDWAALS = 14.2879 259c259 < EELEC = 6.5676 EGB = 14.4993 RESTRAINT = 0. > EELEC = 513.8025 EGB = 126.3766 RESTRAINT = 0. ### Maximum absolute error in matching lines = 1.12e+04 at line 238 field 3 ### Maximum relative error in matching lines = 1.25e+02 at line 256 field 3 --------------------------------------- possible FAILURE: check angtorCOM_gb_output.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/angle_torsion_com 141c141 < NSTEP = 1 TIME(PS) = 4000.001 TEMP(K) = 313.78 PRESS = 0. > NSTEP = 1 TIME(PS) = 4000.001 TEMP(K) = 313.95 PRESS = 0. 142c142 < Etot = -923.8934 EKtot = 2423.0869 EPtot = -3346.9802 > Etot = -13243.6348 EKtot = 2424.3902 EPtot = -15668.0250 145c145 < EELEC = -13672.9178 EGB = -1967.5456 RESTRAINT = 1.6494 > EELEC = -13672.9178 EGB = -14288.5903 RESTRAINT = 1.6494 146c146 < EAMBER (non-restraint) = -3348.6296 > EAMBER (non-restraint) = -15669.6743 150c150 < NSTEP = 2 TIME(PS) = 4000.002 TEMP(K) = 313.65 PRESS = 0. > NSTEP = 2 TIME(PS) = 4000.002 TEMP(K) = 314.58 PRESS = 0. 151c151 < Etot = -923.9809 EKtot = 2422.1135 EPtot = -3346.0944 > Etot = -13254.3793 EKtot = 2429.2317 EPtot = -15683.6110 152c152 < BOND = 582.0349 ANGLE = 1596.1493 DIHED = 2443.3990 > BOND = 582.3209 ANGLE = 1596.3428 DIHED = 2443.1074 153c153 < 1-4 NB = 687.8677 1-4 EEL = 8405.5490 VDWAALS = -1420.6368 > 1-4 NB = 688.6870 1-4 EEL = 8397.5544 VDWAALS = -1420.5146 154c154 < EELEC = -13673.2949 EGB = -1968.8102 RESTRAINT = 1.6475 > EELEC = -13681.0681 EGB = -14291.6882 RESTRAINT = 1.6475 155c155 < EAMBER (non-restraint) = -3347.7419 > EAMBER (non-restraint) = -15685.2585 159c159 < NSTEP = 3 TIME(PS) = 4000.003 TEMP(K) = 314.83 PRESS = 0. > NSTEP = 3 TIME(PS) = 4000.003 TEMP(K) = 317.02 PRESS = 0. 160c160 < Etot = -924.2854 EKtot = 2431.2196 EPtot = -3355.5050 > Etot = -13272.7662 EKtot = 2448.1077 EPtot = -15720.8739 161c161 < BOND = 579.0329 ANGLE = 1596.5180 DIHED = 2440.6178 > BOND = 580.1227 ANGLE = 1598.1557 DIHED = 2439.7623 162c162 < 1-4 NB = 687.6976 1-4 EEL = 8405.9025 VDWAALS = -1422.6830 > 1-4 NB = 690.1206 1-4 EEL = 8382.4012 VDWAALS = -1422.4625 163c163 < EELEC = -13673.3578 EGB = -1970.8790 RESTRAINT = 1.6461 > EELEC = -13696.3485 EGB = -14294.2716 RESTRAINT = 1.6462 164c164 < EAMBER (non-restraint) = -3357.1511 > EAMBER (non-restraint) = -15722.5201 166c166 < NMR restraints: Bond = 0. Angle = 0.293 Torsion = 1.353 > NMR restraints: Bond = 0. Angle = 0.293 Torsion = 1.354 168c168 < NSTEP = 4 TIME(PS) = 4000.004 TEMP(K) = 316.92 PRESS = 0. > NSTEP = 4 TIME(PS) = 4000.004 TEMP(K) = 320.56 PRESS = 0. 169c169 < Etot = -924.7526 EKtot = 2447.3057 EPtot = -3372.0583 > Etot = -13298.6006 EKtot = 2475.4220 EPtot = -15774.0227 170c170 < BOND = 576.1317 ANGLE = 1590.6565 DIHED = 2438.9223 > BOND = 578.8176 ANGLE = 1596.7973 DIHED = 2437.3020 171c171 < 1-4 NB = 686.9739 1-4 EEL = 8405.5558 VDWAALS = -1425.2278 > 1-4 NB = 691.6263 1-4 EEL = 8359.9024 VDWAALS = -1425.1948 172c172 < EELEC = -13673.2170 EGB = -1973.4992 RESTRAINT = 1.6455 > EELEC = -13718.3587 EGB = -14296.5605 RESTRAINT = 1.6458 173c173 < EAMBER (non-restraint) = -3373.7038 > EAMBER (non-restraint) = -15775.6684 175c175 < NMR restraints: Bond = 0. Angle = 0.295 Torsion = 1.350 > NMR restraints: Bond = 0. Angle = 0.295 Torsion = 1.351 177c177 < NSTEP = 5 TIME(PS) = 4000.005 TEMP(K) = 319.22 PRESS = 0. > NSTEP = 5 TIME(PS) = 4000.005 TEMP(K) = 324.19 PRESS = 0. 178c178 < Etot = -925.2398 EKtot = 2465.0715 EPtot = -3390.3113 > Etot = -13331.3684 EKtot = 2503.4774 EPtot = -15834.8458 179c179 < BOND = 574.2296 ANGLE = 1582.0042 DIHED = 2438.5129 > BOND = 579.4921 ANGLE = 1597.4304 DIHED = 2436.0391 180c180 < 1-4 NB = 685.8626 1-4 EEL = 8404.5078 VDWAALS = -1427.7358 > 1-4 NB = 693.1125 1-4 EEL = 8331.2593 VDWAALS = -1428.3343 181c181 < EELEC = -13673.0017 EGB = -1976.3367 RESTRAINT = 1.6459 > EELEC = -13746.6175 EGB = -14298.8739 RESTRAINT = 1.6464 182c182 < EAMBER (non-restraint) = -3391.9572 > EAMBER (non-restraint) = -15836.4923 184c184 < NMR restraints: Bond = 0. Angle = 0.297 Torsion = 1.348 > NMR restraints: Bond = 0. Angle = 0.297 Torsion = 1.350 186c186 < NSTEP = 6 TIME(PS) = 4000.006 TEMP(K) = 321.02 PRESS = 0. > NSTEP = 6 TIME(PS) = 4000.006 TEMP(K) = 326.99 PRESS = 0. 187c187 < Etot = -925.6363 EKtot = 2479.0138 EPtot = -3404.6501 > Etot = -13370.4971 EKtot = 2525.1233 EPtot = -15895.6203 188c188 < BOND = 574.0302 ANGLE = 1574.6336 DIHED = 2439.4260 > BOND = 582.8662 ANGLE = 1604.9041 DIHED = 2436.1507 189c189 < 1-4 NB = 684.5442 1-4 EEL = 8402.8398 VDWAALS = -1429.8087 > 1-4 NB = 694.4782 1-4 EEL = 8298.0192 VDWAALS = -1431.4053 190c190 < EELEC = -13672.8622 EGB = -1979.1004 RESTRAINT = 1.6474 > EELEC = -13780.6378 EGB = -14301.6438 RESTRAINT = 1.6483 191c191 < EAMBER (non-restraint) = -3406.2975 > EAMBER (non-restraint) = -15897.2686 193c193 < NMR restraints: Bond = 0. Angle = 0.300 Torsion = 1.347 > NMR restraints: Bond = 0. Angle = 0.299 Torsion = 1.349 195c195 < NSTEP = 7 TIME(PS) = 4000.007 TEMP(K) = 321.84 PRESS = 0. > NSTEP = 7 TIME(PS) = 4000.007 TEMP(K) = 328.42 PRESS = 0. 196c196 < Etot = -925.8574 EKtot = 2485.3154 EPtot = -3411.1728 > Etot = -13415.6274 EKtot = 2536.1192 EPtot = -15951.7466 197c197 < BOND = 575.9333 ANGLE = 1571.6170 DIHED = 2441.5109 > BOND = 589.1882 ANGLE = 1621.5421 DIHED = 2437.6380 198c198 < 1-4 NB = 683.1658 1-4 EEL = 8400.7090 VDWAALS = -1431.2424 > 1-4 NB = 695.6316 1-4 EEL = 8261.9819 VDWAALS = -1433.9774 199c199 < EELEC = -13672.9645 EGB = -1981.5519 RESTRAINT = 1.6499 > EELEC = -13819.9692 EGB = -14305.4331 RESTRAINT = 1.6513 200c200 < EAMBER (non-restraint) = -3412.8228 > EAMBER (non-restraint) = -15953.3980 202c202 < NMR restraints: Bond = 0. Angle = 0.303 Torsion = 1.347 > NMR restraints: Bond = 0. Angle = 0.302 Torsion = 1.350 204c204 < NSTEP = 8 TIME(PS) = 4000.008 TEMP(K) = 321.52 PRESS = 0. > NSTEP = 8 TIME(PS) = 4000.008 TEMP(K) = 328.44 PRESS = 0. 205c205 < Etot = -925.9145 EKtot = 2482.8878 EPtot = -3408.8022 > Etot = -13466.5304 EKtot = 2536.3207 EPtot = -16002.8511 206c206 < BOND = 579.9412 ANGLE = 1573.9803 DIHED = 2444.4549 > BOND = 598.2332 ANGLE = 1646.0253 DIHED = 2440.3333 207c207 < 1-4 NB = 681.8406 1-4 EEL = 8398.3351 VDWAALS = -1431.9619 > 1-4 NB = 696.5132 1-4 EEL = 8225.0756 VDWAALS = -1435.7348 208c208 < EELEC = -13673.4884 EGB = -1983.5575 RESTRAINT = 1.6534 > EELEC = -13864.2296 EGB = -14310.7227 RESTRAINT = 1.6554 209c209 < EAMBER (non-restraint) = -3410.4556 > EAMBER (non-restraint) = -16004.5065 211c211 < NMR restraints: Bond = 0. Angle = 0.306 Torsion = 1.348 > NMR restraints: Bond = 0. Angle = 0.305 Torsion = 1.351 213c213 < NSTEP = 9 TIME(PS) = 4000.009 TEMP(K) = 320.29 PRESS = 0. > NSTEP = 9 TIME(PS) = 4000.009 TEMP(K) = 327.53 PRESS = 0. 214c214 < Etot = -925.8479 EKtot = 2473.3357 EPtot = -3399.1836 > Etot = -13523.1746 EKtot = 2529.2590 EPtot = -16052.4336 215c215 < BOND = 585.6182 ANGLE = 1580.6775 DIHED = 2447.8470 > BOND = 609.4036 ANGLE = 1673.8517 DIHED = 2443.9510 216c216 < 1-4 NB = 680.6503 1-4 EEL = 8395.9741 VDWAALS = -1431.9720 > 1-4 NB = 697.0959 1-4 EEL = 8189.1936 VDWAALS = -1436.5211 217c217 < EELEC = -13674.6138 EGB = -1985.0224 RESTRAINT = 1.6575 > EELEC = -13913.1258 EGB = -14317.9429 RESTRAINT = 1.6603 218c218 < EAMBER (non-restraint) = -3400.8411 > EAMBER (non-restraint) = -16054.0938 220c220 < NMR restraints: Bond = 0. Angle = 0.309 Torsion = 1.348 > NMR restraints: Bond = 0. Angle = 0.308 Torsion = 1.353 222c222 < NSTEP = 10 TIME(PS) = 4000.010 TEMP(K) = 318.57 PRESS = 0. > NSTEP = 10 TIME(PS) = 4000.010 TEMP(K) = 326.38 PRESS = 0. 223c223 < Etot = -925.7564 EKtot = 2460.0522 EPtot = -3385.8086 > Etot = -13585.6506 EKtot = 2520.4107 EPtot = -16106.0614 224c224 < BOND = 592.1531 ANGLE = 1589.4451 DIHED = 2451.2639 > BOND = 621.9131 ANGLE = 1699.0895 DIHED = 2448.1643 225c225 < 1-4 NB = 679.6218 1-4 EEL = 8393.8825 VDWAALS = -1431.3357 > 1-4 NB = 697.3489 1-4 EEL = 8156.0164 VDWAALS = -1436.3659 226c226 < EELEC = -13676.4893 EGB = -1986.0119 RESTRAINT = 1.6618 > EELEC = -13966.4175 EGB = -14327.4756 RESTRAINT = 1.6656 227c227 < EAMBER (non-restraint) = -3387.4704 > EAMBER (non-restraint) = -16107.7270 229c229 < NMR restraints: Bond = 0. Angle = 0.312 Torsion = 1.349 > NMR restraints: Bond = 0. Angle = 0.311 Torsion = 1.355 231c231 < NSTEP = 11 TIME(PS) = 4000.011 TEMP(K) = 316.85 PRESS = 0. > NSTEP = 11 TIME(PS) = 4000.011 TEMP(K) = 325.67 PRESS = 0. 232c232 < Etot = -925.7197 EKtot = 2446.7985 EPtot = -3372.5182 > Etot = -13654.0103 EKtot = 2514.9248 EPtot = -16168.9350 233c233 < BOND = 598.5437 ANGLE = 1597.9721 DIHED = 2454.3518 > BOND = 635.0092 ANGLE = 1716.5792 DIHED = 2452.6838 234c234 < 1-4 NB = 678.7067 1-4 EEL = 8392.2823 VDWAALS = -1430.1572 > 1-4 NB = 697.2020 1-4 EEL = 8126.8293 VDWAALS = -1435.4599 235c235 < EELEC = -13679.1977 EGB = -1986.6860 RESTRAINT = 1.6661 > EELEC = -14023.8618 EGB = -14339.5879 RESTRAINT = 1.6711 236c236 < EAMBER (non-restraint) = -3374.1843 > EAMBER (non-restraint) = -16170.6061 238c238 < NMR restraints: Bond = 0. Angle = 0.316 Torsion = 1.350 > NMR restraints: Bond = 0. Angle = 0.314 Torsion = 1.357 240c240 < NSTEP = 12 TIME(PS) = 4000.012 TEMP(K) = 315.51 PRESS = 0. > NSTEP = 12 TIME(PS) = 4000.012 TEMP(K) = 325.78 PRESS = 0. 241c241 < Etot = -925.7767 EKtot = 2436.4065 EPtot = -3362.1832 > Etot = -13728.0101 EKtot = 2515.7693 EPtot = -16243.7794 242c242 < BOND = 603.8717 ANGLE = 1604.7318 DIHED = 2456.8858 > BOND = 648.1663 ANGLE = 1723.6128 DIHED = 2457.3127 243c243 < 1-4 NB = 677.8061 1-4 EEL = 8391.3314 VDWAALS = -1428.5530 > 1-4 NB = 696.5635 1-4 EEL = 8102.3836 VDWAALS = -1434.0637 244c244 < EELEC = -13682.7296 EGB = -1987.1972 RESTRAINT = 1.6699 > EELEC = -14085.1605 EGB = -14354.2705 RESTRAINT = 1.6763 245c245 < EAMBER (non-restraint) = -3363.8530 > EAMBER (non-restraint) = -16245.4557 247c247 < NMR restraints: Bond = 0. Angle = 0.319 Torsion = 1.351 > NMR restraints: Bond = 0. Angle = 0.318 Torsion = 1.359 249c249 < NSTEP = 13 TIME(PS) = 4000.013 TEMP(K) = 314.70 PRESS = 0. > NSTEP = 13 TIME(PS) = 4000.013 TEMP(K) = 326.72 PRESS = 0. 250c250 < Etot = -925.9158 EKtot = 2430.1511 EPtot = -3356.0669 > Etot = -13807.1610 EKtot = 2522.9810 EPtot = -16330.1421 251c251 < BOND = 607.5894 ANGLE = 1609.1410 DIHED = 2458.7952 > BOND = 661.1850 ANGLE = 1720.4869 DIHED = 2461.9663 252c252 < 1-4 NB = 676.8469 1-4 EEL = 8391.1077 VDWAALS = -1426.6183 > 1-4 NB = 695.3969 1-4 EEL = 8082.8234 VDWAALS = -1432.3919 253c253 < EELEC = -13686.9735 EGB = -1987.6281 RESTRAINT = 1.6728 > EELEC = -14149.9327 EGB = -14371.3569 RESTRAINT = 1.6809 254c254 < EAMBER (non-restraint) = -3357.7397 > EAMBER (non-restraint) = -16331.8230 256c256 < NMR restraints: Bond = 0. Angle = 0.322 Torsion = 1.351 > NMR restraints: Bond = 0. Angle = 0.320 Torsion = 1.360 258c258 < NSTEP = 14 TIME(PS) = 4000.014 TEMP(K) = 314.40 PRESS = 0. > NSTEP = 14 TIME(PS) = 4000.014 TEMP(K) = 328.16 PRESS = 0. 259c259 < Etot = -926.0979 EKtot = 2427.8830 EPtot = -3353.9810 > Etot = -13890.6375 EKtot = 2534.1564 EPtot = -16424.7938 260c260 < BOND = 609.7180 ANGLE = 1611.1887 DIHED = 2460.1492 > BOND = 674.1611 ANGLE = 1709.9089 DIHED = 2466.6505 261c261 < 1-4 NB = 675.8395 1-4 EEL = 8391.6023 VDWAALS = -1424.4153 > 1-4 NB = 693.7903 1-4 EEL = 8067.6994 VDWAALS = -1430.5260 262c262 < EELEC = -13691.7233 EGB = -1988.0145 RESTRAINT = 1.6744 > EELEC = -14217.6958 EGB = -14390.4668 RESTRAINT = 1.6846 263c263 < EAMBER (non-restraint) = -3355.6554 > EAMBER (non-restraint) = -16426.4784 265c265 < NMR restraints: Bond = 0. Angle = 0.324 Torsion = 1.351 > NMR restraints: Bond = 0. Angle = 0.323 Torsion = 1.362 267c267 < NSTEP = 15 TIME(PS) = 4000.015 TEMP(K) = 314.50 PRESS = 0. > NSTEP = 15 TIME(PS) = 4000.015 TEMP(K) = 329.68 PRESS = 0. 268c268 < Etot = -926.2904 EKtot = 2428.6324 EPtot = -3354.9228 > Etot = -13980.1288 EKtot = 2545.8526 EPtot = -16525.9814 269c269 < BOND = 610.8725 ANGLE = 1610.9654 DIHED = 2461.1055 > BOND = 687.3328 ANGLE = 1695.7140 DIHED = 2471.4060 270c270 < 1-4 NB = 674.8556 1-4 EEL = 8392.7220 VDWAALS = -1422.0081 > 1-4 NB = 691.9407 1-4 EEL = 8056.0677 VDWAALS = -1428.3934 271c271 < EELEC = -13696.7005 EGB = -1988.4096 RESTRAINT = 1.6745 > EELEC = -14287.8673 EGB = -14413.8689 RESTRAINT = 1.6871 272c272 < EAMBER (non-restraint) = -3356.5973 > EAMBER (non-restraint) = -16527.6685 274c274 < NMR restraints: Bond = 0. Angle = 0.325 Torsion = 1.350 > NMR restraints: Bond = 0. Angle = 0.324 Torsion = 1.363 276c276 < NSTEP = 16 TIME(PS) = 4000.016 TEMP(K) = 314.83 PRESS = 0. > NSTEP = 16 TIME(PS) = 4000.016 TEMP(K) = 330.88 PRESS = 0. 277c277 < Etot = -926.4650 EKtot = 2431.2112 EPtot = -3357.6762 > Etot = -14068.3356 EKtot = 2555.1555 EPtot = -16623.4911 278c278 < BOND = 612.0773 ANGLE = 1608.4548 DIHED = 2461.8367 > BOND = 700.8553 ANGLE = 1681.5463 DIHED = 2476.2380 279c279 < 1-4 NB = 673.9458 1-4 EEL = 8394.2922 VDWAALS = -1419.5347 > 1-4 NB = 690.0625 1-4 EEL = 8046.6520 VDWAALS = -1425.8150 280c280 < EELEC = -13701.5830 EGB = -1988.8383 RESTRAINT = 1.6729 > EELEC = -14359.7801 EGB = -14434.9383 RESTRAINT = 1.6881 281c281 < EAMBER (non-restraint) = -3359.3491 > EAMBER (non-restraint) = -16625.1792 283c283 < NMR restraints: Bond = 0. Angle = 0.325 Torsion = 1.348 > NMR restraints: Bond = 0. Angle = 0.324 Torsion = 1.364 285c285 < NSTEP = 17 TIME(PS) = 4000.017 TEMP(K) = 315.28 PRESS = 0. > NSTEP = 17 TIME(PS) = 4000.017 TEMP(K) = 331.61 PRESS = 0. 286c286 < Etot = -926.6201 EKtot = 2434.6352 EPtot = -3361.2553 > Etot = -14153.4002 EKtot = 2560.7463 EPtot = -16714.1465 287c287 < BOND = 614.4083 ANGLE = 1603.6629 DIHED = 2462.4633 > BOND = 714.5764 ANGLE = 1670.0225 DIHED = 2481.0627 288c288 < 1-4 NB = 673.0880 1-4 EEL = 8396.0588 VDWAALS = -1417.2539 > 1-4 NB = 688.3059 1-4 EEL = 8038.0228 VDWAALS = -1422.6036 289c289 < EELEC = -13706.0332 EGB = -1989.3191 RESTRAINT = 1.6696 > EELEC = -14432.7162 EGB = -14452.5047 RESTRAINT = 1.6877 290c290 < EAMBER (non-restraint) = -3362.9249 > EAMBER (non-restraint) = -16715.8342 292c292 < NMR restraints: Bond = 0. Angle = 0.324 Torsion = 1.346 > NMR restraints: Bond = 0. Angle = 0.324 Torsion = 1.364 294c294 < NSTEP = 18 TIME(PS) = 4000.018 TEMP(K) = 315.74 PRESS = 0. > NSTEP = 18 TIME(PS) = 4000.018 TEMP(K) = 331.92 PRESS = 0. 295c295 < Etot = -926.7639 EKtot = 2438.2485 EPtot = -3365.0124 > Etot = -14232.9704 EKtot = 2563.1596 EPtot = -16796.1300 296c296 < BOND = 618.5645 ANGLE = 1596.9235 DIHED = 2463.0223 > BOND = 727.8846 ANGLE = 1662.5339 DIHED = 2485.6964 297c297 < 1-4 NB = 672.2225 1-4 EEL = 8397.7045 VDWAALS = -1415.5012 > 1-4 NB = 686.7527 1-4 EEL = 8028.7770 VDWAALS = -1418.6652 298c298 < EELEC = -13709.7248 EGB = -1989.8883 RESTRAINT = 1.6646 > EELEC = -14505.9171 EGB = -14464.8780 RESTRAINT = 1.6858 299c299 < EAMBER (non-restraint) = -3366.6770 > EAMBER (non-restraint) = -16797.8158 301c301 < NMR restraints: Bond = 0. Angle = 0.322 Torsion = 1.343 > NMR restraints: Bond = 0. Angle = 0.322 Torsion = 1.364 303c303 < NSTEP = 19 TIME(PS) = 4000.019 TEMP(K) = 316.18 PRESS = 0. > NSTEP = 19 TIME(PS) = 4000.019 TEMP(K) = 332.06 PRESS = 0. 304c304 < Etot = -926.9077 EKtot = 2441.6202 EPtot = -3368.5279 > Etot = -14322.4981 EKtot = 2564.2478 EPtot = -16886.7459 305c305 < BOND = 624.5122 ANGLE = 1589.1430 DIHED = 2463.4813 > BOND = 739.6864 ANGLE = 1659.5632 DIHED = 2489.8930 306c306 < 1-4 NB = 671.3374 1-4 EEL = 8398.8725 VDWAALS = -1414.5485 > 1-4 NB = 685.4765 1-4 EEL = 8017.6847 VDWAALS = -1414.1265 307c307 < EELEC = -13712.3635 EGB = -1990.6204 RESTRAINT = 1.6580 > EELEC = -14578.5453 EGB = -14488.0604 RESTRAINT = 1.6825 308c308 < EAMBER (non-restraint) = -3370.1859 > EAMBER (non-restraint) = -16888.4285 310c310 < NMR restraints: Bond = 0. Angle = 0.318 Torsion = 1.340 > NMR restraints: Bond = 0. Angle = 0.318 Torsion = 1.364 312c312 < NSTEP = 20 TIME(PS) = 4000.020 TEMP(K) = 316.54 PRESS = 0. > NSTEP = 20 TIME(PS) = 4000.020 TEMP(K) = 332.32 PRESS = 0. 313c313 < Etot = -927.0482 EKtot = 2444.4203 EPtot = -3371.4685 > Etot = -14404.8648 EKtot = 2566.2594 EPtot = -16971.1242 314c314 < BOND = 631.3456 ANGLE = 1581.7667 DIHED = 2463.7865 > BOND = 748.5442 ANGLE = 1661.2041 DIHED = 2493.4114 315c315 < 1-4 NB = 670.5222 1-4 EEL = 8399.2138 VDWAALS = -1414.4689 > 1-4 NB = 684.6036 1-4 EEL = 8003.8006 VDWAALS = -1409.2088 316c316 < EELEC = -13713.7166 EGB = -1991.5681 RESTRAINT = 1.6502 > EELEC = -14649.9730 EGB = -14505.1846 RESTRAINT = 1.6782 317c317 < EAMBER (non-restraint) = -3373.1187 > EAMBER (non-restraint) = -16972.8024 319c319 < NMR restraints: Bond = 0. Angle = 0.314 Torsion = 1.336 > NMR restraints: Bond = 0. Angle = 0.314 Torsion = 1.364 322c322 < NSTEP = 20 TIME(PS) = 4000.020 TEMP(K) = 316.81 PRESS = 0. > NSTEP = 20 TIME(PS) = 4000.020 TEMP(K) = 326.14 PRESS = 0. 323c323 < Etot = -925.7385 EKtot = 2446.4705 EPtot = -3372.2089 > Etot = -13700.2123 EKtot = 2518.5557 EPtot = -16218.7680 324c324 < BOND = 596.7386 ANGLE = 1592.8909 DIHED = 2451.9398 > BOND = 642.1961 ANGLE = 1656.1749 DIHED = 2457.2866 325c325 < 1-4 NB = 679.5406 1-4 EEL = 8398.1505 VDWAALS = -1424.2563 > 1-4 NB = 692.1063 1-4 EEL = 8178.8356 VDWAALS = -1427.0614 326c326 < EELEC = -13685.8477 EGB = -1983.0242 RESTRAINT = 1.6589 > EELEC = -14057.5570 EGB = -14362.4160 RESTRAINT = 1.6669 327c327 < EAMBER (non-restraint) = -3373.8678 > EAMBER (non-restraint) = -16220.4350 329c329 < NMR restraints: Bond = 0. Angle = 0.314 Torsion = 1.336 > NMR restraints: Bond = 0. Angle = 0.314 Torsion = 1.364 332c332 < NSTEP = 20 TIME(PS) = 4000.020 TEMP(K) = 2.59 PRESS = 0. > NSTEP = 20 TIME(PS) = 4000.020 TEMP(K) = 5.43 PRESS = 0. 333c333 < Etot = 0.8888 EKtot = 20.0242 EPtot = 20.1703 > Etot = 375.0675 EKtot = 41.9425 EPtot = 409.4289 334c334 < BOND = 18.0659 ANGLE = 12.4054 DIHED = 9.3487 > BOND = 58.6718 ANGLE = 46.0034 DIHED = 19.0745 335c335 < 1-4 NB = 5.7426 1-4 EEL = 5.1321 VDWAALS = 5.9255 > 1-4 NB = 4.0974 1-4 EEL = 138.1575 VDWAALS = 7.6959 336c336 < EELEC = 14.8642 EGB = 7.4583 RESTRAINT = 0.0106 > EELEC = 314.3397 EGB = 70.8615 RESTRAINT = 0.0164 337c337 < EAMBER (non-restraint) = 20.1596 > EAMBER (non-restraint) = 409.4125 346c346 < *C LEU 76 -- *C LEU 175: 75.650 75.000 0.650 0.309 a > *C LEU 76 -- *C LEU 175: 75.650 75.000 0.650 0.308 a 347c347 < *C GLN 92 -- *C GLN 191: 2.090 4.000 1.910 1.333 t > *C GLN 92 -- *C GLN 191: 2.068 4.000 1.932 1.365 t 348c348 < Total angle penalty: 0.309 > Total angle penalty: 0.308 349c349 < Total torsion penalty: 1.333 > Total torsion penalty: 1.365 ### Maximum absolute error in matching lines = 1.36e+04 at line 317 field 4 ### Maximum relative error in matching lines = 4.21e+02 at line 333 field 3 --------------------------------------- possible FAILURE: check angtorCOM_gb_vs_t.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/nmropt/gb/angle_torsion_com 3c3 < 4 75.638 2.079 > 4 75.637 2.078 4c4 < 6 75.644 2.080 > 6 75.642 2.078 5c5 < 8 75.650 2.079 > 8 75.649 2.076 6c6 < 10 75.657 2.078 > 10 75.656 2.073 7c7 < 12 75.663 2.077 > 12 75.662 2.071 8c8 < 14 75.667 2.078 > 14 75.666 2.069 9c9 < 16 75.666 2.081 > 16 75.665 2.068 10c10 < 18 75.660 2.086 > 18 75.660 2.068 ### Maximum absolute error in matching lines = 1.80e-02 at line 10 field 3 ### Maximum relative error in matching lines = 8.70e-03 at line 10 field 3 --------------------------------------- possible FAILURE: check mdout.pure_wat.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/4096wat 71c71 < NSTEP = 1 TIME(PS) = 1.001 TEMP(K) = 298.28 PRESS = 0. > NSTEP = 1 TIME(PS) = 1.001 TEMP(K) = 298.71 PRESS = 0. 72c72 < Etot = -32059.9204 EKtot = 7282.8043 EPtot = -39342.7247 > Etot = -32049.4709 EKtot = 7293.2538 EPtot = -39342.7247 77c77 < NSTEP = 2 TIME(PS) = 1.002 TEMP(K) = 297.96 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.002 TEMP(K) = 298.64 PRESS = 0. 78c78 < Etot = -32060.0178 EKtot = 7274.8748 EPtot = -39334.8926 > Etot = -32048.5227 EKtot = 7291.4616 EPtot = -39339.9843 80c80 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6029.7388 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6029.4706 81c81 < EELEC = -45364.6314 EHBOND = 0. RESTRAINT = 0. > EELEC = -45369.4549 EHBOND = 0. RESTRAINT = 0. 83c83 < NSTEP = 3 TIME(PS) = 1.003 TEMP(K) = 297.71 PRESS = 0. > NSTEP = 3 TIME(PS) = 1.003 TEMP(K) = 298.69 PRESS = 0. 84c84 < Etot = -32059.9449 EKtot = 7268.8260 EPtot = -39328.7710 > Etot = -32051.1866 EKtot = 7292.6820 EPtot = -39343.8685 86c86 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6030.3442 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6029.5412 87c87 < EELEC = -45359.1152 EHBOND = 0. RESTRAINT = 0. > EELEC = -45373.4097 EHBOND = 0. RESTRAINT = 0. 89c89 < NSTEP = 4 TIME(PS) = 1.004 TEMP(K) = 297.54 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.004 TEMP(K) = 298.86 PRESS = 0. 90c90 < Etot = -32059.9268 EKtot = 7264.6265 EPtot = -39324.5534 > Etot = -32057.5600 EKtot = 7296.9205 EPtot = -39354.4805 92c92 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6030.8752 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6029.3067 93c93 < EELEC = -45355.4286 EHBOND = 0. RESTRAINT = 0. > EELEC = -45383.7871 EHBOND = 0. RESTRAINT = 0. 95c95 < NSTEP = 5 TIME(PS) = 1.005 TEMP(K) = 297.44 PRESS = 0. > NSTEP = 5 TIME(PS) = 1.005 TEMP(K) = 299.16 PRESS = 0. 96c96 < Etot = -32060.0087 EKtot = 7262.1252 EPtot = -39322.1338 > Etot = -32067.3144 EKtot = 7304.0865 EPtot = -39371.4009 98c98 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6031.3190 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6028.7566 99c99 < EELEC = -45353.4529 EHBOND = 0. RESTRAINT = 0. > EELEC = -45400.1575 EHBOND = 0. RESTRAINT = 0. 101c101 < NSTEP = 6 TIME(PS) = 1.006 TEMP(K) = 297.40 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.006 TEMP(K) = 299.56 PRESS = 0. 102c102 < Etot = -32060.0151 EKtot = 7261.0868 EPtot = -39321.1018 > Etot = -32080.1364 EKtot = 7313.9976 EPtot = -39394.1340 104c104 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6031.7759 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6028.0710 105c105 < EELEC = -45352.8778 EHBOND = 0. RESTRAINT = 0. > EELEC = -45422.2051 EHBOND = 0. RESTRAINT = 0. 107c107 < NSTEP = 7 TIME(PS) = 1.007 TEMP(K) = 297.40 PRESS = 0. > NSTEP = 7 TIME(PS) = 1.007 TEMP(K) = 300.07 PRESS = 0. 108c108 < Etot = -32060.1394 EKtot = 7261.2368 EPtot = -39321.3762 > Etot = -32095.7891 EKtot = 7326.3919 EPtot = -39422.1810 110c110 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6032.2790 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6027.2911 111c111 < EELEC = -45353.6552 EHBOND = 0. RESTRAINT = 0. > EELEC = -45449.4721 EHBOND = 0. RESTRAINT = 0. 113c113 < NSTEP = 8 TIME(PS) = 1.008 TEMP(K) = 297.44 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.008 TEMP(K) = 300.67 PRESS = 0. 114c114 < Etot = -32060.1100 EKtot = 7262.2978 EPtot = -39322.4078 > Etot = -32114.0304 EKtot = 7340.9435 EPtot = -39454.9740 116c116 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6032.7901 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6026.4248 117c117 < EELEC = -45355.1979 EHBOND = 0. RESTRAINT = 0. > EELEC = -45481.3988 EHBOND = 0. RESTRAINT = 0. 119c119 < NSTEP = 9 TIME(PS) = 1.009 TEMP(K) = 297.51 PRESS = 0. > NSTEP = 9 TIME(PS) = 1.009 TEMP(K) = 301.33 PRESS = 0. 120c120 < Etot = -32060.1118 EKtot = 7264.0158 EPtot = -39324.1276 > Etot = -32134.6192 EKtot = 7357.2787 EPtot = -39491.8979 122c122 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6033.3461 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6025.5946 123c123 < EELEC = -45357.4737 EHBOND = 0. RESTRAINT = 0. > EELEC = -45517.4925 EHBOND = 0. RESTRAINT = 0. 125c125 < NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 297.60 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 302.06 PRESS = 0. 126c126 < Etot = -32060.1146 EKtot = 7266.1797 EPtot = -39326.2942 > Etot = -32157.3680 EKtot = 7374.9879 EPtot = -39532.3559 128c128 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6033.9503 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6024.7814 129c129 < EELEC = -45360.2445 EHBOND = 0. RESTRAINT = 0. > EELEC = -45557.1373 EHBOND = 0. RESTRAINT = 0. 132c132 < NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 297.63 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 299.78 PRESS = 0. 133c133 < Etot = -32060.0310 EKtot = 7266.8074 EPtot = -39326.8383 > Etot = -32085.5998 EKtot = 7319.2004 EPtot = -39404.8002 135c135 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6031.5370 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6027.8190 136c136 < EELEC = -45358.3754 EHBOND = 0. RESTRAINT = 0. > EELEC = -45432.6191 EHBOND = 0. RESTRAINT = 0. 139c139 < NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 0.27 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 1.16 PRESS = 0. 140c140 < Etot = 0.0793 EKtot = 6.6635 EPtot = 6.6208 > Etot = 36.7157 EKtot = 28.2568 EPtot = 64.9650 142c142 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 1.5199 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 1.6288 143c143 < EELEC = 5.6251 EHBOND = 0. RESTRAINT = 0. > EELEC = 63.3467 EHBOND = 0. RESTRAINT = 0. ### Maximum absolute error in matching lines = 1.97e+02 at line 129 field 3 ### Maximum relative error in matching lines = 4.62e+02 at line 140 field 3 --------------------------------------- possible FAILURE: check mdout.pure_wat_fswitch.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/4096wat 71c71 < NSTEP = 1 TIME(PS) = 1.001 TEMP(K) = 298.28 PRESS = 0. > NSTEP = 1 TIME(PS) = 1.001 TEMP(K) = 298.71 PRESS = 0. 72c72 < Etot = -31075.2198 EKtot = 7282.8035 EPtot = -38358.0232 > Etot = -31064.7708 EKtot = 7293.2525 EPtot = -38358.0232 77c77 < NSTEP = 2 TIME(PS) = 1.002 TEMP(K) = 297.96 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.002 TEMP(K) = 298.64 PRESS = 0. 78c78 < Etot = -31075.2494 EKtot = 7274.8726 EPtot = -38350.1219 > Etot = -31063.7584 EKtot = 7291.4578 EPtot = -38355.2162 80c80 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7014.5095 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7014.2375 81c81 < EELEC = -45364.6314 EHBOND = 0. RESTRAINT = 0. > EELEC = -45369.4537 EHBOND = 0. RESTRAINT = 0. 83c83 < NSTEP = 3 TIME(PS) = 1.003 TEMP(K) = 297.71 PRESS = 0. > NSTEP = 3 TIME(PS) = 1.003 TEMP(K) = 298.69 PRESS = 0. 84c84 < Etot = -31075.1176 EKtot = 7268.8226 EPtot = -38343.9403 > Etot = -31066.3607 EKtot = 7292.6759 EPtot = -38359.0366 86c86 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7015.1750 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7014.3694 87c87 < EELEC = -45359.1153 EHBOND = 0. RESTRAINT = 0. > EELEC = -45373.4060 EHBOND = 0. RESTRAINT = 0. 89c89 < NSTEP = 4 TIME(PS) = 1.004 TEMP(K) = 297.54 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.004 TEMP(K) = 298.86 PRESS = 0. 90c90 < Etot = -31075.0974 EKtot = 7264.6221 EPtot = -38339.7195 > Etot = -31072.7383 EKtot = 7296.9125 EPtot = -38369.6509 92c92 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7015.7093 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7014.1289 93c93 < EELEC = -45355.4288 EHBOND = 0. RESTRAINT = 0. > EELEC = -45383.7797 EHBOND = 0. RESTRAINT = 0. 95c95 < NSTEP = 5 TIME(PS) = 1.005 TEMP(K) = 297.44 PRESS = 0. > NSTEP = 5 TIME(PS) = 1.005 TEMP(K) = 299.16 PRESS = 0. 96c96 < Etot = -31075.1629 EKtot = 7262.1200 EPtot = -38337.2830 > Etot = -31082.4635 EKtot = 7304.0769 EPtot = -38386.5404 98c98 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7016.1720 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7013.6049 99c99 < EELEC = -45353.4550 EHBOND = 0. RESTRAINT = 0. > EELEC = -45400.1453 EHBOND = 0. RESTRAINT = 0. 101c101 < NSTEP = 6 TIME(PS) = 1.006 TEMP(K) = 297.39 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.006 TEMP(K) = 299.56 PRESS = 0. 102c102 < Etot = -31075.1811 EKtot = 7261.0814 EPtot = -38336.2625 > Etot = -31095.3155 EKtot = 7313.9867 EPtot = -38409.3022 104c104 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7016.6158 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7012.8870 105c105 < EELEC = -45352.8784 EHBOND = 0. RESTRAINT = 0. > EELEC = -45422.1893 EHBOND = 0. RESTRAINT = 0. 107c107 < NSTEP = 7 TIME(PS) = 1.007 TEMP(K) = 297.40 PRESS = 0. > NSTEP = 7 TIME(PS) = 1.007 TEMP(K) = 300.07 PRESS = 0. 108c108 < Etot = -31075.3440 EKtot = 7261.2315 EPtot = -38336.5754 > Etot = -31111.0105 EKtot = 7326.3800 EPtot = -38437.3905 110c110 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7017.0807 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7012.0571 111c111 < EELEC = -45353.6561 EHBOND = 0. RESTRAINT = 0. > EELEC = -45449.4476 EHBOND = 0. RESTRAINT = 0. 113c113 < NSTEP = 8 TIME(PS) = 1.008 TEMP(K) = 297.44 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.008 TEMP(K) = 300.67 PRESS = 0. 114c114 < Etot = -31075.3174 EKtot = 7262.2925 EPtot = -38337.6099 > Etot = -31129.2514 EKtot = 7340.9309 EPtot = -38470.1823 116c116 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7017.5898 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7011.1822 117c117 < EELEC = -45355.1997 EHBOND = 0. RESTRAINT = 0. > EELEC = -45481.3645 EHBOND = 0. RESTRAINT = 0. 119c119 < NSTEP = 9 TIME(PS) = 1.009 TEMP(K) = 297.51 PRESS = 0. > NSTEP = 9 TIME(PS) = 1.009 TEMP(K) = 301.33 PRESS = 0. 120c120 < Etot = -31075.3160 EKtot = 7264.0105 EPtot = -38339.3265 > Etot = -31149.8743 EKtot = 7357.2657 EPtot = -38507.1400 122c122 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7018.1483 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7010.3103 123c123 < EELEC = -45357.4748 EHBOND = 0. RESTRAINT = 0. > EELEC = -45517.4503 EHBOND = 0. RESTRAINT = 0. 125c125 < NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 297.60 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 302.06 PRESS = 0. 126c126 < Etot = -31075.3273 EKtot = 7266.1747 EPtot = -38341.5020 > Etot = -31172.6409 EKtot = 7374.9747 EPtot = -38547.6156 128c128 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7018.7435 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7009.4672 129c129 < EELEC = -45360.2455 EHBOND = 0. RESTRAINT = 0. > EELEC = -45557.0828 EHBOND = 0. RESTRAINT = 0. 132c132 < NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 297.63 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 299.77 PRESS = 0. 133c133 < Etot = -31075.2333 EKtot = 7266.8031 EPtot = -38342.0364 > Etot = -31100.8184 EKtot = 7319.1914 EPtot = -38420.0098 135c135 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7016.3397 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 7012.5898 136c136 < EELEC = -45358.3761 EHBOND = 0. RESTRAINT = 0. > EELEC = -45432.5996 EHBOND = 0. RESTRAINT = 0. 139c139 < NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 0.27 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 1.16 PRESS = 0. 140c140 < Etot = 0.0866 EKtot = 6.6649 EPtot = 6.6553 > Etot = 36.7330 EKtot = 28.2536 EPtot = 64.9796 142c142 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 1.5358 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 1.6647 143c143 < EELEC = 5.6247 EHBOND = 0. RESTRAINT = 0. > EELEC = 63.3289 EHBOND = 0. RESTRAINT = 0. ### Maximum absolute error in matching lines = 1.97e+02 at line 129 field 3 ### Maximum relative error in matching lines = 4.23e+02 at line 140 field 3 --------------------------------------- possible FAILURE: check mdout.pure_wat_efield.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/4096wat 72c72 < NSTEP = 1 TIME(PS) = 1.001 TEMP(K) = 298.30 PRESS = 0. > NSTEP = 1 TIME(PS) = 1.001 TEMP(K) = 298.73 PRESS = 0. 73c73 < Etot = -32104.0964 EKtot = 7283.2797 EPtot = -39387.3761 > Etot = -32093.6671 EKtot = 7293.7091 EPtot = -39387.3761 79c79 < NSTEP = 2 TIME(PS) = 1.002 TEMP(K) = 298.05 PRESS = 0. > NSTEP = 2 TIME(PS) = 1.002 TEMP(K) = 298.72 PRESS = 0. 80c80 < Etot = -32104.1986 EKtot = 7277.1259 EPtot = -39381.3244 > Etot = -32092.7192 EKtot = 7293.5452 EPtot = -39386.2644 82c82 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6029.7294 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6029.4702 83c83 < EELEC = -45364.7143 EHBOND = 0. RESTRAINT = 0. > EELEC = -45369.4785 EHBOND = 0. RESTRAINT = 0. 84c84 < ELECTRIC_FIELD = -46.3394 > ELECTRIC_FIELD = -46.2562 86c86 < NSTEP = 3 TIME(PS) = 1.003 TEMP(K) = 297.92 PRESS = 0. > NSTEP = 3 TIME(PS) = 1.003 TEMP(K) = 298.88 PRESS = 0. 87c87 < Etot = -32104.1463 EKtot = 7273.8678 EPtot = -39378.0140 > Etot = -32095.3873 EKtot = 7297.3252 EPtot = -39392.7126 89c89 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6030.3295 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6029.5398 90c90 < EELEC = -45359.3171 EHBOND = 0. RESTRAINT = 0. > EELEC = -45373.4664 EHBOND = 0. RESTRAINT = 0. 91c91 < ELECTRIC_FIELD = -49.0264 > ELECTRIC_FIELD = -48.7860 93c93 < NSTEP = 4 TIME(PS) = 1.004 TEMP(K) = 297.90 PRESS = 0. > NSTEP = 4 TIME(PS) = 1.004 TEMP(K) = 299.19 PRESS = 0. 94c94 < Etot = -32104.1539 EKtot = 7273.3270 EPtot = -39377.4809 > Etot = -32101.7571 EKtot = 7305.0161 EPtot = -39406.7732 96c96 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6030.8500 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6029.3032 97c97 < EELEC = -45355.6508 EHBOND = 0. RESTRAINT = 0. > EELEC = -45383.8477 EHBOND = 0. RESTRAINT = 0. 98c98 < ELECTRIC_FIELD = -52.6801 > ELECTRIC_FIELD = -52.2287 100c100 < NSTEP = 5 TIME(PS) = 1.005 TEMP(K) = 297.97 PRESS = 0. > NSTEP = 5 TIME(PS) = 1.005 TEMP(K) = 299.66 PRESS = 0. 101c101 < Etot = -32104.2660 EKtot = 7275.1598 EPtot = -39379.4258 > Etot = -32111.5302 EKtot = 7316.4804 EPtot = -39428.0106 103c103 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6031.2665 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6028.7498 104c104 < EELEC = -45353.4381 EHBOND = 0. RESTRAINT = 0. > EELEC = -45400.1910 EHBOND = 0. RESTRAINT = 0. 105c105 < ELECTRIC_FIELD = -57.2542 > ELECTRIC_FIELD = -56.5693 107c107 < NSTEP = 6 TIME(PS) = 1.006 TEMP(K) = 298.12 PRESS = 0. > NSTEP = 6 TIME(PS) = 1.006 TEMP(K) = 300.28 PRESS = 0. 108c108 < Etot = -32104.2858 EKtot = 7278.9064 EPtot = -39383.1922 > Etot = -32124.3448 EKtot = 7331.4840 EPtot = -39455.8288 110c110 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6031.6963 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6028.0589 111c111 < EELEC = -45352.1996 EHBOND = 0. RESTRAINT = 0. > EELEC = -45422.0976 EHBOND = 0. RESTRAINT = 0. 112c112 < ELECTRIC_FIELD = -62.6888 > ELECTRIC_FIELD = -61.7901 114c114 < NSTEP = 7 TIME(PS) = 1.007 TEMP(K) = 298.34 PRESS = 0. > NSTEP = 7 TIME(PS) = 1.007 TEMP(K) = 301.02 PRESS = 0. 115c115 < Etot = -32104.3846 EKtot = 7284.0507 EPtot = -39388.4353 > Etot = -32140.0278 EKtot = 7349.7135 EPtot = -39489.7414 117c117 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6032.1757 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6027.2758 118c118 < EELEC = -45351.6995 EHBOND = 0. RESTRAINT = 0. > EELEC = -45449.1461 EHBOND = 0. RESTRAINT = 0. 119c119 < ELECTRIC_FIELD = -68.9115 > ELECTRIC_FIELD = -67.8711 121c121 < NSTEP = 8 TIME(PS) = 1.008 TEMP(K) = 298.58 PRESS = 0. > NSTEP = 8 TIME(PS) = 1.008 TEMP(K) = 301.89 PRESS = 0. 122c122 < Etot = -32104.3939 EKtot = 7290.0714 EPtot = -39394.4652 > Etot = -32158.2644 EKtot = 7370.7949 EPtot = -39529.0593 124c124 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6032.6307 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6026.3989 125c125 < EELEC = -45351.2574 EHBOND = 0. RESTRAINT = 0. > EELEC = -45480.6678 EHBOND = 0. RESTRAINT = 0. 126c126 < ELECTRIC_FIELD = -75.8386 > ELECTRIC_FIELD = -74.7903 128c128 < NSTEP = 9 TIME(PS) = 1.009 TEMP(K) = 298.84 PRESS = 0. > NSTEP = 9 TIME(PS) = 1.009 TEMP(K) = 302.85 PRESS = 0. 129c129 < Etot = -32104.3639 EKtot = 7296.4826 EPtot = -39400.8465 > Etot = -32178.8429 EKtot = 7394.3100 EPtot = -39573.1529 131c131 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6033.1408 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6025.5568 132c132 < EELEC = -45350.6108 EHBOND = 0. RESTRAINT = 0. > EELEC = -45516.1855 EHBOND = 0. RESTRAINT = 0. 133c133 < ELECTRIC_FIELD = -83.3765 > ELECTRIC_FIELD = -82.5242 135c135 < NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 299.11 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 303.90 PRESS = 0. 136c136 < Etot = -32104.3653 EKtot = 7302.8708 EPtot = -39407.2361 > Etot = -32201.5959 EKtot = 7419.8122 EPtot = -39621.4081 138c138 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6033.6681 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6024.7228 139c139 < EELEC = -45349.4798 EHBOND = 0. RESTRAINT = 0. > EELEC = -45555.0838 EHBOND = 0. RESTRAINT = 0. 140c140 < ELECTRIC_FIELD = -91.4244 > ELECTRIC_FIELD = -91.0471 143c143 < NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 298.31 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 300.51 PRESS = 0. 144c144 < Etot = -32104.2655 EKtot = 7283.5142 EPtot = -39387.7797 > Etot = -32129.8137 EKtot = 7337.2191 EPtot = -39467.0327 146c146 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6031.4439 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 6027.8028 147c147 < EELEC = -45356.0044 EHBOND = 0. RESTRAINT = 0. > EELEC = -45432.1841 EHBOND = 0. RESTRAINT = 0. 148c148 < ELECTRIC_FIELD = -63.2191 > ELECTRIC_FIELD = -62.6514 151c151 < NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 0.39 PRESS = 0. > NSTEP = 10 TIME(PS) = 1.010 TEMP(K) = 1.75 PRESS = 0. 152c152 < Etot = 0.1051 EKtot = 9.5649 EPtot = 9.6360 > Etot = 36.7280 EKtot = 42.7276 EPtot = 79.4530 154c154 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 1.4357 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 1.6465 155c155 < EELEC = 6.8291 EHBOND = 0. RESTRAINT = 0. > EELEC = 62.6910 EHBOND = 0. RESTRAINT = 0. 156c156 < ELECTRIC_FIELD = 15.3999 > ELECTRIC_FIELD = 15.1897 ### Maximum absolute error in matching lines = 2.06e+02 at line 139 field 3 ### Maximum relative error in matching lines = 3.48e+02 at line 152 field 3 --------------------------------------- possible FAILURE: check mdout.pure_wat_oct_nve.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/4096wat_oct 81c81 < NSTEP = 1 TIME(PS) = 0.001 TEMP(K) = 647.17 PRESS = 0. > NSTEP = 1 TIME(PS) = 0.001 TEMP(K) = 609.25 PRESS = 0. 82c82 < Etot = -40671.3103 EKtot = 15808.8210 EPtot = -56480.1313 > Etot = -41597.5564 EKtot = 14882.5750 EPtot = -56480.1313 87c87 < NSTEP = 2 TIME(PS) = 0.002 TEMP(K) = 570.17 PRESS = 0. > NSTEP = 2 TIME(PS) = 0.002 TEMP(K) = 572.32 PRESS = 0. 88c88 < Etot = -34009.4683 EKtot = 13927.8662 EPtot = -47937.3345 > Etot = -33964.7754 EKtot = 13980.3535 EPtot = -47945.1289 90c90 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11304.2008 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11304.1743 91c91 < EELEC = -59241.5353 EHBOND = 0. RESTRAINT = 0. > EELEC = -59249.3032 EHBOND = 0. RESTRAINT = 0. 93c93 < NSTEP = 3 TIME(PS) = 0.003 TEMP(K) = 303.90 PRESS = 0. > NSTEP = 3 TIME(PS) = 0.003 TEMP(K) = 312.01 PRESS = 0. 94c94 < Etot = -40335.8764 EKtot = 7423.6320 EPtot = -47759.5084 > Etot = -40168.5944 EKtot = 7621.5288 EPtot = -47790.1232 96c96 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11320.3764 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11320.1073 97c97 < EELEC = -59079.8848 EHBOND = 0. RESTRAINT = 0. > EELEC = -59110.2306 EHBOND = 0. RESTRAINT = 0. 99c99 < NSTEP = 4 TIME(PS) = 0.004 TEMP(K) = 292.33 PRESS = 0. > NSTEP = 4 TIME(PS) = 0.004 TEMP(K) = 309.94 PRESS = 0. 100c100 < Etot = -40334.4647 EKtot = 7140.8435 EPtot = -47475.3082 > Etot = -39970.2829 EKtot = 7571.0109 EPtot = -47541.2938 102c102 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11347.2602 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11346.5258 103c103 < EELEC = -58822.5684 EHBOND = 0. RESTRAINT = 0. > EELEC = -58887.8196 EHBOND = 0. RESTRAINT = 0. 105c105 < NSTEP = 5 TIME(PS) = 0.005 TEMP(K) = 277.26 PRESS = 0. > NSTEP = 5 TIME(PS) = 0.005 TEMP(K) = 307.20 PRESS = 0. 106c106 < Etot = -40332.6757 EKtot = 6772.8597 EPtot = -47105.5354 > Etot = -39712.0154 EKtot = 7504.0708 EPtot = -47216.0861 108c108 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11384.4219 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11382.9654 109c109 < EELEC = -58489.9573 EHBOND = 0. RESTRAINT = 0. > EELEC = -58599.0515 EHBOND = 0. RESTRAINT = 0. 111c111 < NSTEP = 6 TIME(PS) = 0.006 TEMP(K) = 259.76 PRESS = 0. > NSTEP = 6 TIME(PS) = 0.006 TEMP(K) = 303.98 PRESS = 0. 112c112 < Etot = -40330.9143 EKtot = 6345.3823 EPtot = -46676.2966 > Etot = -39411.3585 EKtot = 7425.4351 EPtot = -46836.7936 114c114 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11431.1371 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11428.7363 115c115 < EELEC = -58107.4337 EHBOND = 0. RESTRAINT = 0. > EELEC = -58265.5299 EHBOND = 0. RESTRAINT = 0. 117c117 < NSTEP = 7 TIME(PS) = 0.007 TEMP(K) = 240.98 PRESS = 0. > NSTEP = 7 TIME(PS) = 0.007 TEMP(K) = 300.50 PRESS = 0. 118c118 < Etot = -40329.0169 EKtot = 5886.4876 EPtot = -46215.5045 > Etot = -39087.1931 EKtot = 7340.3846 EPtot = -46427.5777 120c120 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11486.7934 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11483.2167 121c121 < EELEC = -57702.2979 EHBOND = 0. RESTRAINT = 0. > EELEC = -57910.7944 EHBOND = 0. RESTRAINT = 0. 123c123 < NSTEP = 8 TIME(PS) = 0.008 TEMP(K) = 222.05 PRESS = 0. > NSTEP = 8 TIME(PS) = 0.008 TEMP(K) = 296.97 PRESS = 0. 124c124 < Etot = -40327.2811 EKtot = 5424.0437 EPtot = -45751.3248 > Etot = -38758.8963 EKtot = 7254.2781 EPtot = -46013.1744 126c126 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11550.2499 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11545.2702 127c127 < EELEC = -57301.5747 EHBOND = 0. RESTRAINT = 0. > EELEC = -57558.4446 EHBOND = 0. RESTRAINT = 0. 129c129 < NSTEP = 9 TIME(PS) = 0.009 TEMP(K) = 204.01 PRESS = 0. > NSTEP = 9 TIME(PS) = 0.009 TEMP(K) = 293.61 PRESS = 0. 130c130 < Etot = -40325.8505 EKtot = 4983.5039 EPtot = -45309.3544 > Etot = -38444.4872 EKtot = 7172.1298 EPtot = -45616.6169 132c132 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11620.4888 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11613.8920 133c133 < EELEC = -56929.8432 EHBOND = 0. RESTRAINT = 0. > EELEC = -57230.5089 EHBOND = 0. RESTRAINT = 0. 135c135 < NSTEP = 10 TIME(PS) = 0.010 TEMP(K) = 187.75 PRESS = 0. > NSTEP = 10 TIME(PS) = 0.010 TEMP(K) = 290.58 PRESS = 0. 136c136 < Etot = -40324.8199 EKtot = 4586.2352 EPtot = -44911.0551 > Etot = -38159.6343 EKtot = 7098.2800 EPtot = -45257.9144 138c138 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11696.3918 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11687.9200 139c139 < EELEC = -56607.4469 EHBOND = 0. RESTRAINT = 0. > EELEC = -56945.8344 EHBOND = 0. RESTRAINT = 0. 141c141 < NSTEP = 11 TIME(PS) = 0.011 TEMP(K) = 173.92 PRESS = 0. > NSTEP = 11 TIME(PS) = 0.011 TEMP(K) = 288.04 PRESS = 0. 142c142 < Etot = -40324.1272 EKtot = 4248.4248 EPtot = -44572.5519 > Etot = -37916.8009 EKtot = 7036.1616 EPtot = -44952.9625 144c144 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11776.7368 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11766.2097 145c145 < EELEC = -56349.2887 EHBOND = 0. RESTRAINT = 0. > EELEC = -56719.1722 EHBOND = 0. RESTRAINT = 0. 147c147 < NSTEP = 12 TIME(PS) = 0.012 TEMP(K) = 162.95 PRESS = 0. > NSTEP = 12 TIME(PS) = 0.012 TEMP(K) = 286.08 PRESS = 0. 148c148 < Etot = -40323.8079 EKtot = 3980.5347 EPtot = -44304.3427 > Etot = -37724.8577 EKtot = 6988.1657 EPtot = -44713.0234 150c150 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11860.2421 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11847.3260 151c151 < EELEC = -56164.5848 EHBOND = 0. RESTRAINT = 0. > EELEC = -56560.3494 EHBOND = 0. RESTRAINT = 0. 153c153 < NSTEP = 13 TIME(PS) = 0.013 TEMP(K) = 155.04 PRESS = 0. > NSTEP = 13 TIME(PS) = 0.013 TEMP(K) = 284.74 PRESS = 0. 154c154 < Etot = -40323.7829 EKtot = 3787.2390 EPtot = -44111.0219 > Etot = -37589.1156 EKtot = 6955.5975 EPtot = -44544.7131 156c156 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11945.5622 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11930.0784 157c157 < EELEC = -56056.5840 EHBOND = 0. RESTRAINT = 0. > EELEC = -56474.7915 EHBOND = 0. RESTRAINT = 0. 159c159 < NSTEP = 14 TIME(PS) = 0.014 TEMP(K) = 150.15 PRESS = 0. > NSTEP = 14 TIME(PS) = 0.014 TEMP(K) = 284.05 PRESS = 0. 160c160 < Etot = -40324.2037 EKtot = 3667.7592 EPtot = -43991.9630 > Etot = -37511.2746 EKtot = 6938.7046 EPtot = -44449.9792 162c162 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12031.4036 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12012.9701 163c163 < EELEC = -56023.3665 EHBOND = 0. RESTRAINT = 0. > EELEC = -56462.9493 EHBOND = 0. RESTRAINT = 0. 165c165 < NSTEP = 15 TIME(PS) = 0.015 TEMP(K) = 148.05 PRESS = 0. > NSTEP = 15 TIME(PS) = 0.015 TEMP(K) = 283.97 PRESS = 0. 166c166 < Etot = -40324.8418 EKtot = 3616.5255 EPtot = -43941.3673 > Etot = -37489.1529 EKtot = 6936.7694 EPtot = -44425.9223 168c168 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12116.4090 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12094.7739 169c169 < EELEC = -56057.7763 EHBOND = 0. RESTRAINT = 0. > EELEC = -56520.6961 EHBOND = 0. RESTRAINT = 0. 171c171 < NSTEP = 16 TIME(PS) = 0.016 TEMP(K) = 148.36 PRESS = 0. > NSTEP = 16 TIME(PS) = 0.016 TEMP(K) = 284.44 PRESS = 0. 172c172 < Etot = -40325.5987 EKtot = 3624.0932 EPtot = -43949.6919 > Etot = -37518.2302 EKtot = 6948.2525 EPtot = -44466.4826 174c174 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12199.2113 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12174.0149 175c175 < EELEC = -56148.9032 EHBOND = 0. RESTRAINT = 0. > EELEC = -56640.4975 EHBOND = 0. RESTRAINT = 0. 177c177 < NSTEP = 17 TIME(PS) = 0.017 TEMP(K) = 150.58 PRESS = 0. > NSTEP = 17 TIME(PS) = 0.017 TEMP(K) = 285.37 PRESS = 0. 178c178 < Etot = -40326.5455 EKtot = 3678.2498 EPtot = -44004.7953 > Etot = -37591.0293 EKtot = 6970.9808 EPtot = -44562.0101 180c180 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12278.6460 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12249.5444 181c181 < EELEC = -56283.4412 EHBOND = 0. RESTRAINT = 0. > EELEC = -56811.5545 EHBOND = 0. RESTRAINT = 0. 183c183 < NSTEP = 18 TIME(PS) = 0.018 TEMP(K) = 154.14 PRESS = 0. > NSTEP = 18 TIME(PS) = 0.018 TEMP(K) = 286.66 PRESS = 0. 184c184 < Etot = -40327.4522 EKtot = 3765.2391 EPtot = -44092.6913 > Etot = -37698.7970 EKtot = 7002.3638 EPtot = -44701.1608 186c186 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12353.4657 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12320.1229 187c187 < EELEC = -56446.1569 EHBOND = 0. RESTRAINT = 0. > EELEC = -57021.2837 EHBOND = 0. RESTRAINT = 0. 189c189 < NSTEP = 19 TIME(PS) = 0.019 TEMP(K) = 158.47 PRESS = 0. > NSTEP = 19 TIME(PS) = 0.019 TEMP(K) = 288.18 PRESS = 0. 190c190 < Etot = -40328.3357 EKtot = 3871.0162 EPtot = -44199.3519 > Etot = -37831.5178 EKtot = 7039.6309 EPtot = -44871.1487 192c192 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12422.5374 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12384.6563 193c193 < EELEC = -56621.8892 EHBOND = 0. RESTRAINT = 0. > EELEC = -57255.8050 EHBOND = 0. RESTRAINT = 0. 195c195 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 163.03 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 289.84 PRESS = 0. 196c196 < Etot = -40329.0370 EKtot = 3982.4324 EPtot = -44311.4694 > Etot = -37978.9680 EKtot = 7080.0715 EPtot = -45059.0394 198c198 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12484.7172 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 12442.0222 199c199 < EELEC = -56796.1867 EHBOND = 0. RESTRAINT = 0. > EELEC = -57501.0616 EHBOND = 0. RESTRAINT = 0. 202c202 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 238.50 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 322.89 PRESS = 0. 203c203 < Etot = -40028.9705 EKtot = 5826.0594 EPtot = -45855.0300 > Etot = -38306.2269 EKtot = 7887.3372 EPtot = -46193.5641 205c205 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11794.4771 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 11780.6909 206c206 < EELEC = -57649.5071 EHBOND = 0. RESTRAINT = 0. > EELEC = -57974.2550 EHBOND = 0. RESTRAINT = 0. 209c209 < NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 133.81 PRESS = 0. > NSTEP = 20 TIME(PS) = 0.020 TEMP(K) = 89.92 PRESS = 0. 210c210 < Etot = 1382.9961 EKtot = 3268.6084 EPtot = 2797.8236 > Etot = 1485.0731 EKtot = 2196.6212 EPtot = 2641.2511 212c212 < 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 399.6099 > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 386.5697 213c213 < EELEC = 2547.2706 EHBOND = 0. RESTRAINT = 0. > EELEC = 2416.2147 EHBOND = 0. RESTRAINT = 0. ### Maximum absolute error in matching lines = 2.84e+03 at line 166 field 3 ### Maximum relative error in matching lines = 9.18e-01 at line 165 field 9 --------------------------------------- possible FAILURE: check mdcrd.pure_wat_oct_nve.dif /projects2/joao.ribeiro/amber_lbsr/amber_lbsr/amber20/test/cuda/4096wat_oct 4c4 < 59.7 29.5 26.5 59.5 28.1 25.9 59.0 23.5 28.4 60.0 --- > 59.7 29.5 26.5 59.5 28.2 25.9 59.0 23.5 28.4 60.0 8c8 < 26.3 25.3 55.2 27.6 24.5 57.8 28.5 24.3 57.9 27.2 --- > 26.3 25.3 55.2 27.6 24.5 57.8 28.5 24.3 58.0 27.2 24c24 < 9.2 51.0 36.5 10.0 52.2 36.3 16.1 47.5 35.5 15.5 --- > 9.2 51.0 36.5 10.0 52.2 36.3 16.1 47.4 35.5 15.5 26c26 < 31.0 13.2 46.4 32.8 12.8 50.0 33.0 13.7 50.2 33.7 --- > 31.0 13.2 46.4 32.8 12.7 50.0 33.0 13.7 50.2 33.7 31c31 < 55.0 36.0 16.7 54.6 36.8 17.3 55.7 40.6 17.0 51.8 --- > 55.0 35.9 16.7 54.6 36.8 17.3 55.7 40.6 17.0 51.8 42c42 < 15.2 49.1 33.2 16.5 49.8 39.2 16.0 53.9 38.3 16.1 --- > 15.2 49.1 33.2 16.5 49.8 39.2 16.0 53.9 38.2 16.1 45,46c45,46 < 8.2 45.0 33.5 14.5 43.0 32.6 14.6 43.2 33.6 13.5 < 43.0 36.2 22.7 45.7 35.3 22.8 46.2 36.3 23.5 45.2 --- > 8.1 45.0 33.5 14.5 43.0 32.6 14.6 43.2 33.6 13.5 > 43.0 36.2 22.7 45.7 35.3 22.8 46.1 36.3 23.5 45.2 60,61c60,61 < 17.5 54.8 33.7 16.9 53.4 37.6 14.8 44.1 37.4 14.5 < 43.2 37.2 15.7 44.2 29.2 26.2 54.3 28.9 26.9 54.9 --- > 17.5 54.8 33.7 16.9 53.4 37.6 14.8 44.1 37.3 14.5 > 43.2 37.1 15.7 44.2 29.2 26.2 54.3 28.9 26.9 54.9 64c64 < 55.9 32.9 20.7 50.1 32.4 21.4 50.2 33.8 21.0 50.0 --- > 55.9 32.9 20.7 50.1 32.3 21.4 50.2 33.8 21.0 50.0 70c70 < 48.7 36.1 21.4 50.2 29.3 22.0 51.7 28.5 22.5 51.3 --- > 48.7 36.1 21.4 50.2 29.3 22.1 51.7 28.5 22.5 51.3 74c74 < 36.9 18.9 56.5 36.0 19.3 56.6 37.5 19.4 57.0 35.0 --- > 36.9 18.9 56.5 36.0 19.3 56.6 37.5 19.5 57.0 35.0 76c76 < 48.5 29.8 7.5 47.5 30.4 7.8 48.9 38.2 20.4 54.7 --- > 48.5 29.7 7.5 47.5 30.4 7.8 48.9 38.2 20.4 54.7 85c85 < 48.2 30.3 18.9 47.8 31.2 17.9 48.6 28.0 14.4 49.4 --- > 48.2 30.3 18.9 47.9 31.2 17.9 48.6 28.0 14.4 49.4 93c93 < 4.1 49.3 39.5 4.9 49.3 39.6 3.6 48.5 38.2 6.5 --- > 4.1 49.3 39.4 4.9 49.3 39.6 3.6 48.5 38.2 6.5 95c95 < 26.0 20.4 53.3 26.0 21.8 53.8 36.3 17.3 44.4 37.2 --- > 26.0 20.4 53.3 26.1 21.8 53.8 36.3 17.3 44.4 37.2 102c102 < 22.5 54.3 30.4 22.5 54.4 31.6 21.8 53.8 39.8 29.6 --- > 22.5 54.3 30.4 22.4 54.4 31.7 21.8 53.8 39.8 29.6 105c105 < 34.1 47.0 47.3 33.9 48.2 40.4 31.3 47.6 41.0 30.6 --- > 34.1 46.9 47.3 33.9 48.2 40.4 31.3 47.6 41.0 30.6 109c109 < 47.7 42.2 29.3 47.7 42.1 28.7 48.4 42.1 28.8 46.9 --- > 47.7 42.2 29.3 47.7 42.0 28.7 48.4 42.1 28.8 46.9 114,115c114,115 < 29.9 55.2 37.0 29.4 54.3 48.8 27.5 48.2 49.6 27.4 < 47.7 48.2 27.6 47.6 42.9 30.9 52.1 43.6 31.2 51.6 --- > 29.9 55.3 37.0 29.4 54.3 48.8 27.6 48.2 49.6 27.4 > 47.7 48.1 27.6 47.6 42.9 30.9 52.1 43.6 31.2 51.6 123c123 < 30.9 50.5 35.6 29.5 51.0 46.2 27.1 47.0 45.2 27.1 --- > 30.9 50.5 35.7 29.5 51.0 46.2 27.1 47.0 45.2 27.1 126c126 < 19.8 56.0 51.7 29.9 48.6 50.9 30.2 48.1 52.3 29.6 --- > 19.8 56.0 51.7 29.9 48.6 50.9 30.2 48.2 52.3 29.6 135c135 < 27.4 52.2 44.4 30.8 47.6 43.7 30.2 47.5 44.4 31.3 --- > 27.4 52.2 44.4 30.8 47.6 43.7 30.1 47.5 44.3 31.3 147c147 < 30.4 44.2 48.8 30.1 43.3 48.7 31.3 44.2 40.6 23.3 --- > 30.4 44.2 48.9 30.1 43.3 48.7 31.3 44.2 40.6 23.3 149c149 < 32.2 29.2 51.5 31.6 30.3 52.4 36.4 23.9 57.9 36.5 --- > 32.2 29.2 51.5 31.7 30.3 52.4 36.4 23.9 57.9 36.5 154c154 < 53.9 48.7 33.7 49.4 49.5 33.2 49.3 48.1 33.2 50.0 --- > 53.8 48.7 33.7 49.4 49.5 33.2 49.3 48.1 33.2 49.9 156c156 < 20.6 57.9 38.5 20.8 58.8 38.9 21.4 57.4 35.3 26.3 --- > 20.6 57.9 38.5 20.9 58.8 38.9 21.4 57.4 35.3 26.3 166c166 < 52.9 43.6 19.3 52.2 45.1 19.0 52.7 50.7 35.7 49.0 --- > 52.9 43.7 19.3 52.2 45.1 19.0 52.7 50.7 35.7 49.0 178,179c178,179 < 53.2 34.2 27.1 54.0 45.1 18.7 49.6 44.2 18.6 50.0 < 45.7 18.6 50.3 46.5 18.3 52.0 47.2 18.6 51.4 47.0 --- > 53.3 34.2 27.1 54.0 45.1 18.7 49.6 44.2 18.6 50.0 > 45.7 18.6 50.3 46.5 18.3 52.0 47.1 18.6 51.4 47.0 192c192 < 34.2 48.5 52.2 34.7 48.5 53.5 34.4 49.4 30.7 0.3 --- > 34.2 48.5 52.2 34.7 48.6 53.5 34.4 49.4 30.7 0.3 194c194 < 29.1 3.9 41.8 28.6 2.6 41.1 27.3 -1.9 40.2 27.3 --- > 29.1 3.9 41.8 28.6 2.6 41.1 27.3 -1.9 40.2 27.4 196c196 < 45.6 32.4 1.8 44.2 24.9 -1.3 41.3 25.9 -1.6 41.1 --- > 45.6 32.4 1.8 44.2 24.9 -1.3 41.3 25.9 -1.6 41.2 199c199 < 44.2 39.9 6.5 37.2 39.8 5.9 36.4 39.7 6.0 37.9 --- > 44.2 39.9 6.5 37.2 39.7 5.9 36.4 39.7 6.0 37.9 202c202 < 33.3 40.4 7.7 33.4 40.3 9.1 34.0 41.2 9.4 46.3 --- > 33.3 40.4 7.8 33.4 40.3 9.1 34.0 41.2 9.4 46.3 214,215c214,215 < 40.3 40.9 7.1 41.4 35.7 1.6 41.2 35.2 1.7 40.4 < 36.3 2.4 41.3 38.2 2.0 39.0 38.1 2.4 39.8 37.8 --- > 40.3 40.9 7.1 41.4 35.7 1.6 41.3 35.2 1.7 40.4 > 36.3 2.4 41.2 38.2 2.0 39.0 38.1 2.4 39.8 37.8 222c222 < 13.9 42.9 39.2 13.9 44.1 36.0 6.5 38.1 36.6 6.9 --- > 13.9 42.9 39.2 13.8 44.1 36.0 6.5 38.1 36.6 6.9 224,225c224,225 < 44.2 8.9 36.1 48.3 5.0 41.9 47.8 5.8 41.7 49.2 < 5.3 42.1 42.9 6.7 29.1 42.2 7.2 29.3 42.6 5.9 --- > 44.2 8.9 36.1 48.3 5.0 41.9 47.8 5.7 41.7 49.2 > 5.3 42.1 42.9 6.7 29.1 42.2 7.2 29.2 42.6 5.9 227,232c227,232 < 43.6 7.1 34.0 42.8 6.7 33.8 44.0 7.2 33.2 49.3 < 10.0 37.3 48.6 9.4 37.1 48.8 10.7 37.9 48.6 12.0 < 39.2 48.8 12.6 38.4 49.4 12.1 39.8 36.3 3.8 37.9 < 36.2 3.3 37.0 35.7 3.4 38.4 44.3 7.5 31.3 44.0 < 7.1 30.5 45.2 7.6 31.2 43.5 12.0 39.4 43.8 12.3 < 38.5 44.3 11.8 39.9 41.3 8.2 38.7 42.2 7.8 38.7 --- > 43.6 7.1 34.0 42.8 6.7 33.8 44.1 7.2 33.2 49.3 > 10.0 37.3 48.5 9.4 37.1 48.8 10.7 37.9 48.6 12.0 > 39.2 48.8 12.5 38.4 49.4 12.1 39.8 36.3 3.8 37.9 > 36.2 3.3 37.0 35.7 3.3 38.4 44.3 7.5 31.3 44.0 > 7.2 30.5 45.2 7.6 31.2 43.5 12.0 39.4 43.8 12.3 > 38.6 44.3 11.8 39.9 41.3 8.2 38.7 42.2 7.8 38.7 239c239 < 39.4 4.5 46.1 40.3 4.6 44.9 46.9 7.9 30.5 47.0 --- > 39.3 4.5 46.1 40.3 4.6 44.9 46.9 7.9 30.5 47.0 245,247c245,247 < 47.2 8.2 36.8 46.3 8.2 36.7 47.4 7.4 37.2 41.6 < 11.9 45.2 42.2 12.5 45.7 41.0 12.5 44.7 50.4 10.2 < 34.8 50.2 10.2 35.7 49.8 9.6 34.4 46.3 14.4 39.5 --- > 47.2 8.2 36.8 46.3 8.2 36.6 47.4 7.3 37.2 41.6 > 11.9 45.2 42.3 12.5 45.7 41.0 12.5 44.7 50.4 10.2 > 34.8 50.3 10.2 35.7 49.7 9.6 34.4 46.3 14.4 39.5 249c249 < 13.9 36.7 46.3 14.4 37.7 35.2 10.1 44.5 36.1 9.8 --- > 13.9 36.6 46.3 14.4 37.7 35.2 10.1 44.5 36.1 9.8 251c251 < 40.0 14.5 39.5 32.0 2.7 40.7 32.5 2.7 41.5 31.1 --- > 40.0 14.5 39.5 32.0 2.8 40.7 32.5 2.7 41.5 31.1 261c261 < 3.5 45.5 53.3 10.0 35.0 53.5 10.9 34.7 52.3 9.9 --- > 3.5 45.5 53.3 10.0 35.0 53.5 10.9 34.8 52.3 9.9 275c275 < 38.0 10.2 45.2 38.2 8.7 45.3 39.2 7.6 46.3 39.9 --- > 37.9 10.2 45.2 38.2 8.7 45.3 39.2 7.6 46.3 39.9 280,281c280,281 < 33.0 48.6 6.8 32.4 47.9 7.0 31.7 48.4 7.4 33.1 < 34.6 0.9 46.0 35.2 0.2 45.7 35.2 1.6 46.1 40.8 --- > 33.0 48.6 6.8 32.4 47.9 6.9 31.7 48.4 7.5 33.1 > 34.6 0.9 46.0 35.2 0.1 45.7 35.2 1.6 46.1 40.8 284c284 < 53.2 20.9 42.1 53.4 22.4 42.1 50.1 23.3 39.1 49.9 --- > 53.2 20.9 42.1 53.3 22.4 42.1 50.1 23.3 39.1 49.9 290c290 < 52.1 21.5 34.9 52.3 20.8 35.6 52.1 20.9 34.1 54.1 --- > 52.1 21.5 34.9 52.3 20.9 35.6 52.1 20.9 34.1 54.1 298c298 < 43.6 52.9 19.5 36.5 53.4 20.1 37.2 52.5 18.9 37.0 --- > 43.6 52.9 19.6 36.5 53.4 20.1 37.2 52.5 18.9 37.0 307c307 < 44.0 46.0 22.7 38.8 46.7 23.0 38.3 46.2 21.7 38.9 --- > 44.1 46.0 22.7 38.8 46.7 23.0 38.3 46.2 21.7 38.9 313,314c313,314 < 31.3 54.6 21.1 31.0 54.3 23.0 35.7 53.5 22.5 35.4 < 54.8 23.2 34.9 46.1 19.9 38.6 45.8 19.5 37.7 45.5 --- > 31.3 54.6 21.1 31.0 54.3 23.0 35.7 53.6 22.5 35.4 > 54.8 23.2 35.0 46.1 19.9 38.6 45.8 19.5 37.7 45.5 331c331 < 45.2 53.9 30.5 43.9 54.7 29.1 38.0 54.2 29.9 37.9 --- > 45.2 53.9 30.6 43.9 54.7 29.1 38.0 54.2 29.9 37.9 335c335 < 50.9 29.7 38.8 50.1 30.1 38.3 50.9 30.1 39.6 42.3 --- > 50.9 29.7 38.8 50.1 30.1 38.4 50.9 30.1 39.6 42.3 341,342c341,342 < 48.3 16.6 36.4 50.0 16.2 36.8 50.4 16.3 35.9 50.6 < 16.7 37.4 52.7 14.8 34.6 53.3 15.2 34.0 52.0 15.4 --- > 48.4 16.6 36.4 50.0 16.2 36.8 50.4 16.4 35.9 50.7 > 16.7 37.4 52.7 14.8 34.6 53.3 15.3 34.0 52.0 15.4 348c348 < 18.7 48.0 45.5 19.2 46.6 53.3 28.7 46.7 54.1 28.4 --- > 18.8 48.0 45.5 19.2 46.6 53.3 28.7 46.7 54.1 28.4 354c354 < 22.0 36.7 49.4 21.2 36.7 50.5 21.8 36.0 48.4 18.1 --- > 22.0 36.7 49.4 21.2 36.7 50.6 21.8 36.0 48.4 18.2 359,360c359,360 < 48.0 21.2 45.4 55.9 12.6 36.4 55.2 12.1 36.8 56.6 < 12.6 37.1 52.8 14.0 30.7 53.1 14.7 31.3 53.4 13.3 --- > 48.0 21.2 45.4 55.9 12.6 36.4 55.2 12.1 36.7 56.6 > 12.5 37.1 52.8 14.0 30.7 53.1 14.7 31.3 53.4 13.3 367c367 < 46.9 43.4 16.7 47.5 54.1 12.4 34.3 53.6 13.3 34.3 --- > 46.9 43.4 16.7 47.5 54.1 12.4 34.3 53.7 13.3 34.3 376c376 < 33.7 55.9 9.7 32.9 47.4 6.7 28.0 48.3 6.5 27.6 --- > 33.7 55.9 9.7 32.9 47.4 6.7 28.0 48.3 6.5 27.7 384c384 < 19.8 48.1 4.8 20.5 46.9 7.4 19.8 44.0 7.6 19.2 --- > 19.8 48.0 4.8 20.5 46.9 7.4 19.8 44.0 7.6 19.1 386,387c386,387 < 5.4 17.5 44.2 7.9 17.9 45.9 8.4 17.2 46.3 8.2 < 18.7 46.5 16.4 27.8 55.3 16.9 27.4 54.6 16.3 28.7 --- > 5.4 17.5 44.1 7.9 17.9 45.9 8.4 17.2 46.3 8.2 > 18.7 46.5 16.4 27.8 55.3 16.9 27.4 54.5 16.3 28.7 396c396 < 27.3 50.9 12.2 23.8 46.1 11.8 24.6 46.6 12.7 24.2 --- > 27.3 50.9 12.2 23.8 46.1 11.7 24.5 46.6 12.7 24.2 403c403 < 50.1 9.6 26.1 49.8 17.8 31.4 56.7 18.7 31.2 56.6 --- > 50.0 9.6 26.0 49.8 17.8 31.4 56.7 18.7 31.2 56.6 419c419 < 16.1 32.1 51.1 16.8 33.5 51.5 16.9 23.0 52.0 16.5 --- > 16.1 32.1 51.1 16.8 33.5 51.4 16.9 23.0 52.0 16.5 434,435c434,435 < 14.7 31.1 51.3 13.9 31.0 50.9 15.2 30.3 51.1 20.3 < 27.0 51.5 20.3 27.9 51.1 20.7 27.2 52.3 17.1 32.5 --- > 14.7 31.1 51.3 13.9 31.0 50.9 15.2 30.3 51.2 20.3 > 27.0 51.5 20.3 27.9 51.0 20.7 27.2 52.3 17.1 32.5 442c442 < 53.4 7.7 22.7 49.1 7.9 23.0 48.2 8.2 23.2 49.6 --- > 53.4 7.7 22.7 49.1 7.9 23.0 48.2 8.3 23.2 49.6 445c445 < 48.1 14.3 23.7 48.2 13.3 23.1 47.4 17.2 36.4 50.0 --- > 48.1 14.3 23.7 48.3 13.3 23.1 47.4 17.2 36.4 50.0 453c453 < 35.2 45.8 11.3 35.0 45.5 12.1 36.1 46.1 15.3 35.6 --- > 35.2 45.8 11.3 35.0 45.5 12.2 36.1 46.1 15.3 35.6 455c455 < 17.5 34.3 44.7 18.4 35.4 44.4 21.9 28.8 57.7 21.2 --- > 17.5 34.3 44.6 18.4 35.4 44.4 21.9 28.8 57.7 21.2 458c458 < 25.9 27.9 55.0 25.1 26.5 55.9 24.3 26.9 55.5 24.9 --- > 25.9 27.9 55.0 25.1 26.5 55.9 24.3 27.0 55.5 24.9 465c465 < 32.7 44.4 14.8 33.1 43.6 16.4 29.2 50.5 17.0 29.3 --- > 32.7 44.3 14.8 33.1 43.6 16.4 29.2 50.5 17.0 29.3 468c468 < 26.6 51.1 17.3 32.8 45.6 18.0 32.3 45.4 17.2 32.8 --- > 26.6 51.1 17.3 32.8 45.6 18.1 32.3 45.4 17.2 32.8 474c474 < 41.8 45.1 19.0 42.5 45.8 26.2 41.0 53.2 26.5 40.2 --- > 41.8 45.1 19.0 42.5 45.7 26.2 41.0 53.2 26.5 40.2 485c485 < 14.7 40.1 55.5 16.4 41.1 51.9 15.6 41.5 52.3 16.4 --- > 14.7 40.1 55.5 16.4 41.1 51.9 15.6 41.4 52.3 16.4 489c489 < 44.5 50.2 14.6 45.1 50.1 14.1 43.9 51.0 24.6 43.0 --- > 44.5 50.2 14.6 45.1 50.1 14.1 43.9 50.9 24.6 43.0 503,504c503,504 < 23.2 45.7 46.7 27.2 38.7 52.0 26.4 38.2 52.2 27.3 < 38.5 51.0 27.7 31.8 53.0 28.0 30.9 52.6 28.2 32.4 --- > 23.2 45.7 46.7 27.2 38.7 52.0 26.4 38.3 52.2 27.3 > 38.5 51.0 27.7 31.8 53.0 28.0 30.9 52.6 28.3 32.4 511c511 < 51.5 19.1 46.1 52.3 16.0 42.2 49.4 15.0 42.2 49.4 --- > 51.5 19.1 46.1 52.3 16.0 42.2 49.4 15.0 42.2 49.5 513c513 < 38.0 52.2 23.5 55.8 48.9 24.1 56.1 49.6 22.7 56.4 --- > 38.0 52.1 23.5 55.8 48.9 24.1 56.1 49.6 22.7 56.4 530c530 < 22.2 37.5 55.0 23.7 38.1 56.0 23.7 38.8 55.4 23.5 --- > 22.2 37.5 55.0 23.7 38.1 56.0 23.7 38.8 55.3 23.5 533c533 < 26.7 51.6 49.3 27.3 52.1 49.8 27.2 50.8 49.1 30.6 --- > 26.7 51.6 49.3 27.3 52.1 49.8 27.2 50.7 49.1 30.6 538,540c538,540 < 54.3 26.2 31.3 53.6 23.5 50.7 45.2 22.6 50.5 44.8 < 23.5 51.5 45.6 24.2 51.2 48.4 25.1 51.3 48.7 23.9 < 52.1 48.1 28.8 50.7 43.6 28.8 50.3 44.4 29.6 51.3 --- > 54.3 26.2 31.3 53.7 23.5 50.7 45.2 22.6 50.5 44.8 > 23.5 51.5 45.6 24.2 51.2 48.4 25.1 51.3 48.7 24.0 > 52.1 48.1 28.8 50.7 43.6 28.8 50.2 44.4 29.6 51.3 545c545 < 25.2 33.8 51.1 24.8 32.4 50.7 20.4 36.7 43.0 21.4 --- > 25.2 33.8 51.0 24.8 32.4 50.7 20.4 36.7 43.0 21.4 547c547 < 49.6 28.0 35.1 49.0 26.5 34.8 51.5 27.2 35.2 51.0 --- > 49.6 28.0 35.1 49.1 26.5 34.8 51.5 27.2 35.3 51.0 565,566c565,566 < 39.7 17.2 3.5 39.8 14.4 8.9 34.5 13.7 8.4 34.5 < 14.1 9.8 34.7 20.7 3.4 42.2 20.5 2.5 42.1 20.0 --- > 39.7 17.2 3.5 39.8 14.5 8.9 34.5 13.7 8.4 34.5 > 14.2 9.8 34.8 20.7 3.4 42.2 20.5 2.5 42.1 20.0 569c569 < 11.8 4.4 32.4 11.6 4.3 33.3 11.0 4.9 32.0 9.6 --- > 11.8 4.4 32.4 11.6 4.4 33.3 11.0 4.9 32.0 9.6 572c572 < 15.5 7.6 41.4 16.5 7.8 42.5 19.3 8.9 38.6 18.5 --- > 15.5 7.6 41.4 16.4 7.8 42.5 19.3 8.9 38.6 18.4 574c574 < 38.7 10.9 8.2 39.8 10.8 4.1 34.9 11.3 4.6 35.6 --- > 38.7 10.9 8.2 39.7 10.8 4.1 34.9 11.3 4.6 35.6 579,581c579,581 < 12.3 38.6 6.8 13.2 38.6 7.3 11.8 39.0 14.7 4.4 < 32.5 15.0 5.2 32.1 13.7 4.5 32.6 18.9 7.6 34.9 < 18.1 7.5 34.5 19.5 7.0 34.3 15.2 2.1 36.3 14.8 --- > 12.3 38.6 6.8 13.2 38.6 7.3 11.9 39.0 14.7 4.4 > 32.5 15.0 5.3 32.1 13.7 4.5 32.6 18.9 7.6 34.9 > 18.0 7.5 34.5 19.5 7.0 34.3 15.2 2.1 36.3 14.8 588c588 < 8.0 34.1 11.2 7.4 34.2 11.9 8.3 33.3 17.0 9.7 --- > 8.0 34.1 11.2 7.4 34.2 11.9 8.3 33.2 17.0 9.7 593c593 < 12.3 11.7 40.2 20.3 6.9 37.1 19.8 7.0 36.3 20.1 --- > 12.3 11.7 40.2 20.3 6.9 37.1 19.7 7.0 36.4 20.1 597c597 < 9.0 44.7 21.4 9.9 44.6 20.6 9.0 45.4 12.7 9.6 --- > 9.0 44.7 21.4 10.0 44.6 20.6 9.0 45.4 12.7 9.6 599c599 < 12.9 14.8 35.5 12.2 16.0 35.0 14.0 8.5 41.1 13.6 --- > 12.8 14.8 35.6 12.2 16.0 35.0 14.0 8.5 41.1 13.6 604,605c604,605 < 37.5 23.0 4.3 41.0 22.8 5.2 41.1 22.2 3.9 41.4 < 14.1 13.6 45.3 14.5 14.4 45.3 13.2 13.7 45.1 14.8 --- > 37.5 23.0 4.3 41.0 22.8 5.2 41.1 22.2 3.9 41.5 > 14.1 13.6 45.3 14.5 14.4 45.3 13.2 13.7 45.0 14.8 607,608c607,608 < 38.2 20.1 5.2 37.6 21.3 4.3 38.0 17.0 10.0 35.1 < 17.1 9.9 36.0 16.1 9.7 34.9 14.2 14.6 39.7 14.7 --- > 38.2 20.1 5.1 37.6 21.3 4.3 38.0 17.0 10.0 35.1 > 17.1 10.0 36.0 16.1 9.7 34.9 14.2 14.6 39.7 14.7 610c610 < 36.7 14.0 14.5 38.0 7.3 14.9 39.2 6.5 15.2 38.8 --- > 36.7 14.0 14.5 38.0 7.4 14.9 39.2 6.5 15.1 38.8 613,614c613,614 < 42.2 17.1 11.1 43.9 16.1 11.1 43.8 17.3 10.2 43.9 < 13.9 11.1 40.0 13.9 10.2 40.4 14.8 11.4 39.9 18.0 --- > 42.3 17.1 11.1 43.9 16.1 11.1 43.8 17.3 10.2 43.9 > 13.9 11.1 40.0 13.9 10.2 40.4 14.8 11.4 40.0 18.0 618c618 < 12.6 34.8 17.4 11.7 35.1 20.2 10.1 35.3 20.0 10.6 --- > 12.6 34.8 17.4 11.7 35.1 20.2 10.1 35.3 20.1 10.7 622c622 < 41.7 8.7 10.9 35.4 8.7 11.7 35.0 9.5 10.8 35.8 --- > 41.7 8.7 10.9 35.4 8.7 11.8 35.0 9.5 10.8 35.8 627c627 < 11.2 31.1 18.2 11.8 30.6 22.5 3.2 44.4 22.3 2.3 --- > 11.2 31.2 18.2 11.8 30.6 22.5 3.2 44.4 22.3 2.3 631c631 < 43.7 15.4 -0.0 37.8 15.2 0.7 37.3 15.6 -0.7 37.1 --- > 43.7 15.4 -0.0 37.8 15.2 0.7 37.4 15.6 -0.7 37.1 633c633 < 0.7 42.2 21.2 0.6 41.6 20.8 0.6 43.0 4.3 14.5 --- > 0.7 42.2 21.2 0.6 41.6 20.8 0.5 43.0 4.3 14.5 635,636c635,636 < 15.3 9.5 31.5 14.1 10.2 31.1 15.9 6.0 36.2 16.1 < 6.7 35.5 16.0 5.2 35.8 19.8 1.8 37.3 19.6 1.3 --- > 15.3 9.5 31.6 14.1 10.2 31.1 15.9 6.0 36.2 16.0 > 6.6 35.5 16.0 5.2 35.8 19.8 1.8 37.3 19.6 1.3 639,640c639,640 < 15.3 41.5 16.9 9.9 32.3 17.5 9.2 32.1 17.0 10.2 < 33.2 16.4 7.2 33.8 16.3 6.9 32.9 15.8 7.9 33.9 --- > 15.3 41.5 16.9 9.9 32.3 17.5 9.2 32.2 17.0 10.2 > 33.2 16.4 7.2 33.8 16.3 6.9 32.9 15.8 7.8 33.9 643c643 < 43.7 28.0 21.1 43.2 26.5 21.4 43.4 22.7 20.4 43.3 --- > 43.7 28.0 21.2 43.2 26.5 21.4 43.4 22.7 20.4 43.3 648c648 < 26.0 34.7 18.8 24.0 33.8 19.3 23.2 34.2 19.1 24.7 --- > 26.0 34.8 18.8 24.0 33.8 19.3 23.2 34.2 19.1 24.7 654c654 < 18.0 41.0 30.6 18.8 41.1 20.0 21.7 35.0 20.3 21.1 --- > 18.0 41.0 30.6 18.8 41.1 20.0 21.7 35.0 20.3 21.2 661,662c661,662 < 34.8 21.6 19.3 35.6 21.2 19.0 34.2 15.8 20.9 41.9 < 16.0 21.1 42.8 15.2 21.5 41.6 21.0 30.4 37.5 20.8 --- > 34.8 21.6 19.2 35.6 21.2 19.0 34.2 15.8 20.9 41.9 > 16.0 21.1 42.8 15.2 21.5 41.6 21.0 30.4 37.4 20.8 670,671c670,671 < 38.9 29.6 24.3 38.8 30.7 24.1 39.8 24.9 15.8 47.2 < 24.7 16.7 46.9 25.3 15.9 48.1 27.5 20.6 46.5 27.4 --- > 38.9 29.6 24.2 38.8 30.7 24.2 39.8 24.9 15.8 47.2 > 24.7 16.7 46.9 25.3 15.9 48.0 27.5 20.6 46.5 27.4 682,683c682,683 < 39.6 37.1 21.1 40.7 22.5 26.2 36.1 22.7 27.0 36.6 < 23.3 26.1 35.5 15.9 23.6 36.5 16.4 24.4 36.4 16.6 --- > 39.6 37.0 21.1 40.7 22.5 26.2 36.1 22.7 27.0 36.6 > 23.3 26.2 35.5 15.9 23.6 36.5 16.4 24.4 36.4 16.6 686c686 < 16.6 19.1 47.3 16.7 18.2 46.9 15.6 19.3 47.3 23.6 --- > 16.6 19.1 47.3 16.7 18.2 46.9 15.6 19.3 47.4 23.6 690c690 < 23.8 48.5 22.2 24.4 49.1 24.8 9.9 45.6 24.3 10.5 --- > 23.8 48.6 22.2 24.4 49.1 24.8 9.9 45.6 24.3 10.5 695c695 < 20.8 12.1 42.2 21.4 11.5 41.8 20.9 11.9 43.1 30.1 --- > 20.8 12.1 42.2 21.4 11.5 41.7 20.9 11.9 43.1 30.1 697,698c697,698 < 36.7 25.0 18.7 37.5 26.2 18.5 36.5 23.0 23.8 37.1 < 22.9 23.3 36.3 22.7 24.6 37.0 29.0 22.0 41.9 28.5 --- > 36.7 25.0 18.7 37.5 26.2 18.6 36.5 23.0 23.8 37.1 > 22.9 23.4 36.3 22.6 24.6 37.0 29.0 22.0 41.9 28.5 701c701 < 29.2 19.6 39.9 18.8 16.3 34.3 18.1 16.9 34.3 18.9 --- > 29.2 19.6 39.8 18.8 16.3 34.3 18.1 16.9 34.3 18.9 716c716 < 24.3 19.3 46.1 25.2 18.2 45.5 31.3 22.1 37.5 30.9 --- > 24.3 19.3 46.0 25.1 18.2 45.5 31.3 22.1 37.5 31.0 737,738c737,738 < 29.3 23.7 46.8 10.7 21.8 40.6 11.3 21.7 39.8 10.1 < 22.6 40.4 15.1 16.0 44.9 15.5 16.0 44.1 14.7 16.9 --- > 29.3 23.7 46.9 10.7 21.8 40.6 11.3 21.7 39.8 10.1 > 22.5 40.4 15.1 16.0 44.9 15.5 16.0 44.1 14.7 16.9 743,744c743,744 < 24.7 29.3 45.5 23.4 28.9 44.9 25.5 23.7 38.2 24.6 < 23.8 38.0 25.8 22.8 38.1 21.0 17.1 40.4 20.5 16.4 --- > 24.7 29.3 45.4 23.4 28.9 44.9 25.5 23.7 38.2 24.6 > 23.7 38.0 25.8 22.8 38.1 21.0 17.1 40.4 20.5 16.4 748c748 < 35.8 27.3 11.8 42.3 26.4 11.6 42.6 27.7 12.0 43.1 --- > 35.8 27.3 11.8 42.3 26.4 11.7 42.6 27.7 12.1 43.1 751,752c751,752 < 35.4 26.2 28.4 34.6 26.3 28.6 36.1 23.7 20.3 50.1 < 23.2 20.9 50.7 24.4 20.0 50.6 13.8 25.6 44.8 14.7 --- > 35.4 26.2 28.4 34.7 26.3 28.6 36.1 23.7 20.3 50.1 > 23.3 20.9 50.7 24.4 20.0 50.6 13.8 25.6 44.8 14.7 763c763 < 36.4 16.1 16.4 36.7 25.1 27.3 40.6 24.8 26.4 40.9 --- > 36.5 16.1 16.5 36.7 25.1 27.3 40.6 24.8 26.4 40.9 768,770c768,770 < 14.6 35.2 21.6 15.0 34.9 20.1 15.2 35.0 24.1 15.9 < 36.8 24.5 16.7 36.9 23.6 15.9 36.0 18.4 18.2 42.6 < 19.3 18.3 43.1 18.4 18.9 42.1 20.3 14.8 42.0 20.5 --- > 14.6 35.2 21.6 15.1 35.0 20.1 15.2 35.0 24.1 15.9 > 36.8 24.4 16.7 36.9 23.6 15.9 36.0 18.4 18.2 42.6 > 19.3 18.3 43.0 18.4 18.9 42.1 20.3 14.8 42.0 20.5 776,777c776,777 < 33.9 21.7 38.2 34.3 21.1 37.6 33.0 21.8 38.0 29.6 < 27.1 34.7 30.4 27.4 34.2 29.9 26.2 34.9 13.9 20.2 --- > 33.9 21.7 38.2 34.3 21.1 37.5 33.0 21.8 37.9 29.6 > 27.1 34.7 30.4 27.4 34.2 29.9 26.2 35.0 13.9 20.2 779c779 < 31.7 24.5 34.9 30.3 23.9 35.2 21.9 27.9 47.2 22.5 --- > 31.7 24.5 35.0 30.3 23.9 35.2 21.9 27.9 47.2 22.5 781,782c781,782 < 40.7 23.6 31.0 39.7 15.7 27.2 39.7 16.5 27.0 39.4 < 15.5 26.5 40.3 20.3 26.9 42.1 19.9 26.2 41.6 20.9 --- > 40.7 23.6 31.0 39.7 15.7 27.2 39.7 16.6 27.0 39.4 > 15.5 26.5 40.3 20.3 26.9 42.1 19.9 26.1 41.6 20.9 785c785 < 30.9 23.1 47.4 31.2 23.0 48.4 30.7 22.2 47.2 20.0 --- > 30.9 23.1 47.4 31.2 23.0 48.3 30.7 22.2 47.2 20.0 797c797 < 25.4 13.9 44.9 25.8 14.4 46.2 27.1 27.0 33.8 28.0 --- > 25.4 13.9 44.8 25.8 14.4 46.2 27.1 27.0 33.8 28.0 802,803c802,803 < 39.7 36.9 21.1 42.5 37.7 20.5 42.7 36.2 20.7 43.0 < 35.1 19.7 44.0 34.4 19.9 43.5 34.9 19.9 44.9 23.2 --- > 39.7 37.0 21.1 42.5 37.7 20.5 42.7 36.2 20.7 43.0 > 35.1 19.7 44.0 34.4 19.9 43.5 34.9 20.0 44.9 23.2 809,811c809,811 < 24.4 9.6 38.8 20.7 13.3 31.3 21.5 13.6 30.9 20.5 < 12.4 30.8 12.2 22.1 42.8 11.7 21.8 42.0 13.0 22.4 < 42.4 27.1 12.2 37.7 27.0 13.1 37.6 27.1 11.9 36.8 --- > 24.5 9.6 38.8 20.7 13.3 31.3 21.5 13.6 30.9 20.5 > 12.4 30.8 12.2 22.1 42.8 11.7 21.8 42.0 13.1 22.4 > 42.4 27.1 12.2 37.7 27.0 13.1 37.6 27.0 11.9 36.8 813c813 < 22.0 51.3 21.1 22.3 51.8 21.4 21.6 50.5 14.3 23.1 --- > 22.0 51.3 21.1 22.2 51.8 21.4 21.6 50.5 14.3 23.1 816c816 < 23.7 47.2 17.8 22.3 46.9 26.6 14.8 37.3 25.6 14.9 --- > 23.7 47.2 17.7 22.3 47.0 26.6 14.8 37.3 25.6 14.9 821c821 < 26.2 21.3 37.2 25.8 21.7 36.4 26.8 20.7 36.8 30.7 --- > 26.2 21.3 37.2 25.7 21.7 36.5 26.8 20.7 36.8 30.7 842,843c842,843 < 35.1 38.7 35.2 35.7 40.0 34.6 41.7 33.8 42.1 42.2 < 33.0 41.9 41.0 33.7 41.5 30.5 36.9 34.8 30.8 36.4 --- > 35.1 38.7 35.2 35.6 40.0 34.6 41.7 33.8 42.1 42.2 > 33.0 41.9 41.0 33.7 41.5 30.5 36.9 34.8 30.9 36.4 849c849 < 31.5 41.6 38.3 31.4 40.9 38.4 31.9 42.3 32.9 34.5 --- > 31.5 41.6 38.3 31.4 40.8 38.4 31.9 42.3 32.9 34.5 851,852c851,852 < 26.8 36.3 42.7 26.4 36.8 41.3 31.7 45.3 37.5 31.7 < 46.3 37.7 31.0 45.0 38.0 32.8 33.5 50.1 32.2 34.2 --- > 26.8 36.3 42.7 26.4 36.8 41.3 31.7 45.3 37.5 31.8 > 46.2 37.7 31.0 45.0 38.0 32.8 33.5 50.1 32.2 34.2 854,855c854,855 < 40.0 29.0 42.7 38.2 34.4 35.3 39.0 34.4 34.9 37.5 < 34.6 34.7 31.2 35.6 49.6 31.5 35.9 48.8 30.2 35.7 --- > 40.0 29.0 42.7 38.2 34.4 35.4 39.0 34.4 34.9 37.5 > 34.6 34.7 31.2 35.6 49.6 31.5 36.0 48.8 30.2 35.7 857c857 < 32.7 33.0 45.3 33.7 33.2 45.3 32.6 32.7 46.2 37.5 --- > 32.7 33.0 45.3 33.7 33.2 45.2 32.6 32.7 46.2 37.5 875,876c875,876 < 32.9 29.3 49.9 33.6 29.8 50.4 33.3 29.3 49.0 27.6 < 34.3 47.6 27.7 33.4 47.3 26.7 34.6 47.3 34.3 42.1 --- > 32.9 29.3 49.9 33.6 29.8 50.4 33.2 29.3 49.0 27.6 > 34.3 47.6 27.6 33.4 47.3 26.7 34.6 47.3 34.3 42.1 881c881 < 36.2 25.7 44.2 24.4 37.7 38.1 25.1 38.2 37.7 24.7 --- > 36.1 25.7 44.2 24.4 37.7 38.1 25.1 38.1 37.6 24.7 884c884 < 36.1 27.0 42.9 35.4 26.6 42.4 35.8 27.8 43.2 32.0 --- > 36.1 27.0 42.9 35.4 26.7 42.4 35.8 27.8 43.2 32.0 887c887 < 35.6 33.8 37.2 36.8 33.5 36.4 33.8 39.1 37.2 33.5 --- > 35.6 33.8 37.2 36.8 33.6 36.4 33.8 39.1 37.2 33.5 892c892 < 33.0 31.3 26.3 37.3 31.0 25.9 36.5 31.0 25.7 38.0 --- > 33.0 31.3 26.3 37.3 31.1 25.9 36.5 31.0 25.7 38.0 897,898c897,898 < 37.7 34.7 33.2 38.4 33.9 38.6 40.2 38.3 37.8 39.6 < 38.5 38.4 41.0 38.7 37.4 31.2 39.4 36.7 30.6 39.7 --- > 37.7 34.8 33.2 38.4 33.8 38.6 40.2 38.3 37.8 39.6 > 38.5 38.4 41.0 38.7 37.4 31.2 39.4 36.8 30.6 39.7 900c900 < 42.8 40.0 38.6 24.1 40.6 39.3 23.7 40.1 38.8 25.1 --- > 42.8 40.0 38.6 24.1 40.6 39.3 23.7 40.1 38.7 25.1 902c902 < 32.0 34.4 40.8 32.0 33.5 40.7 31.1 34.7 40.8 33.5 --- > 32.0 34.4 40.8 32.0 33.5 40.8 31.1 34.7 40.8 33.5 905c905 < 33.2 43.1 39.5 33.8 42.7 40.7 35.4 33.6 45.4 35.1 --- > 33.2 43.1 39.5 33.8 42.7 40.8 35.4 33.6 45.4 35.1 911c911 < 27.3 34.7 36.1 26.4 34.7 36.2 27.4 34.2 35.3 27.1 --- > 27.3 34.7 36.1 26.4 34.7 36.3 27.4 34.2 35.3 27.1 915,916c915,916 < 30.5 47.5 34.8 30.2 47.2 36.4 38.7 49.1 36.8 38.2 < 48.5 36.6 39.6 48.9 34.6 36.1 45.2 34.8 37.0 45.4 --- > 30.5 47.5 34.8 30.2 47.2 36.4 38.7 49.1 36.8 38.1 > 48.5 36.6 39.6 48.8 34.6 36.1 45.2 34.8 37.0 45.4 918,919c918,919 < 40.5 43.2 34.5 45.9 33.7 35.1 45.5 34.3 34.1 46.6 < 34.3 35.1 39.3 41.6 34.5 39.5 42.3 34.5 38.9 40.9 --- > 40.4 43.2 34.5 45.9 33.7 35.1 45.5 34.3 34.1 46.6 > 34.3 35.1 39.3 41.6 34.5 39.5 42.3 34.4 39.0 40.9 930c930 < 43.6 37.8 33.0 44.3 37.6 34.5 44.1 38.1 35.5 29.4 --- > 43.6 37.8 33.0 44.3 37.7 34.5 44.1 38.1 35.5 29.4 934c934 < 37.8 36.7 37.9 38.0 31.8 31.9 40.0 31.4 31.2 40.6 --- > 37.8 36.7 37.8 38.0 31.8 31.9 40.0 31.4 31.2 40.6 937c937 < 47.0 38.5 40.0 35.6 38.6 40.1 36.5 37.6 39.7 35.4 --- > 47.0 38.5 40.0 35.6 38.6 40.1 36.5 37.6 39.8 35.5 939c939 < 33.2 43.6 38.0 34.0 43.3 38.2 32.9 44.3 35.7 44.9 --- > 33.2 43.6 38.0 34.0 43.2 38.2 32.9 44.3 35.7 44.9 945c945 < 33.5 42.0 33.2 47.7 45.0 33.3 48.3 45.7 34.0 47.6 --- > 33.5 42.0 33.2 47.7 45.0 33.3 48.3 45.7 34.0 47.7 947c947 < 27.8 31.5 49.7 28.1 30.7 50.1 26.8 31.4 49.7 24.8 --- > 27.8 31.5 49.7 28.1 30.7 50.0 26.8 31.4 49.7 24.8 950,951c950,951 < 26.8 32.0 41.7 28.2 31.7 42.0 38.3 41.8 43.6 37.4 < 41.7 43.7 38.7 41.0 43.8 30.8 28.9 48.2 31.4 29.0 --- > 26.8 32.0 41.6 28.2 31.7 42.0 38.3 41.8 43.6 37.4 > 41.7 43.7 38.7 41.0 43.9 30.8 28.9 48.2 31.5 29.0 954c954 < 42.0 40.1 29.7 30.6 36.4 29.4 30.9 35.6 29.9 31.4 --- > 42.0 40.1 29.7 30.6 36.4 29.4 30.9 35.6 29.9 31.3 957c957 < 26.7 44.6 33.3 26.8 45.0 32.0 27.4 45.0 31.7 30.1 --- > 26.7 44.6 33.3 26.8 45.0 31.9 27.4 45.0 31.7 30.1 962c962 < 32.5 29.9 44.5 38.3 44.1 37.0 38.8 43.4 36.5 38.8 --- > 32.5 29.9 44.5 38.3 44.1 37.0 38.9 43.4 36.5 38.8 967c967 < 35.1 40.2 42.5 34.6 39.4 41.5 35.4 25.1 34.8 47.0 --- > 35.1 40.3 42.6 34.6 39.5 41.6 35.4 25.1 34.8 47.0 969c969 < 39.1 33.6 41.1 38.6 35.0 32.5 43.6 48.8 32.8 43.2 --- > 39.1 33.6 41.1 38.6 35.1 32.5 43.6 48.8 32.8 43.2 971c971 < 34.6 46.0 40.1 26.5 42.4 40.3 27.2 42.2 39.8 26.5 --- > 34.6 46.0 40.1 26.5 42.4 40.3 27.3 42.2 39.8 26.5 974c974 < 31.5 32.0 52.0 30.6 32.4 51.9 32.0 32.5 51.4 41.5 --- > 31.5 32.0 52.0 30.7 32.4 52.0 32.0 32.5 51.4 41.5 976,978c976,978 < 35.3 30.6 42.0 34.8 31.5 41.1 35.6 38.9 33.4 50.2 < 39.8 33.6 49.9 38.9 33.7 51.2 32.4 32.0 47.8 31.5 < 31.8 47.8 32.6 32.5 48.6 43.9 37.3 40.3 44.7 37.7 --- > 35.3 30.6 42.0 34.8 31.5 41.1 35.7 38.9 33.4 50.2 > 39.8 33.6 49.9 38.9 33.6 51.2 32.4 32.0 47.8 31.5 > 31.8 47.8 32.6 32.5 48.6 43.9 37.3 40.3 44.8 37.7 980c980 < 40.3 36.0 46.8 28.5 37.1 36.7 28.1 36.3 36.4 29.1 --- > 40.3 36.0 46.9 28.5 37.1 36.7 28.1 36.3 36.4 29.1 982c982 < 46.7 27.1 32.9 34.1 26.3 33.0 33.4 26.8 32.4 34.8 --- > 46.7 27.1 32.9 34.0 26.3 33.0 33.5 26.8 32.4 34.8 990,992c990,992 < 33.8 30.5 41.9 33.4 44.7 41.9 33.4 43.8 42.7 32.8 < 44.9 39.2 26.8 40.4 39.1 27.3 41.2 39.7 27.4 39.8 < 47.1 36.1 41.7 48.0 36.1 42.1 46.6 35.5 42.3 45.9 --- > 33.8 30.5 41.9 33.4 44.7 41.9 33.4 43.8 42.6 32.8 > 44.9 39.2 26.8 40.4 39.1 27.3 41.2 39.6 27.4 39.8 > 47.1 36.1 41.7 48.0 36.2 42.1 46.6 35.5 42.3 45.9 994c994 < 49.4 35.1 37.7 49.3 34.4 36.6 50.2 31.2 33.2 30.7 --- > 49.4 35.1 37.7 49.3 34.4 36.6 50.1 31.2 33.2 30.7 997,998c997,998 < 44.4 27.4 36.8 44.8 33.8 25.9 36.3 33.0 26.2 36.6 < 34.2 25.5 37.1 35.0 25.4 38.7 35.6 26.1 38.9 35.6 --- > 44.4 27.4 36.8 44.7 33.8 25.9 36.4 33.0 26.2 36.7 > 34.2 25.5 37.1 35.0 25.4 38.7 35.5 26.1 38.9 35.6 1005,1006c1005,1006 < 38.3 40.1 25.8 38.9 41.3 26.9 40.1 44.9 27.7 40.7 < 44.8 27.1 39.7 45.7 28.1 38.7 46.9 28.9 39.2 47.1 --- > 38.3 40.1 25.8 38.9 41.3 27.0 40.1 44.9 27.7 40.7 > 44.8 27.1 39.7 45.7 28.1 38.8 46.9 28.9 39.2 47.1 1008,1009c1008,1009 < 30.4 35.8 40.8 31.3 39.6 41.6 31.3 40.1 40.1 31.4 < 40.2 42.9 31.6 41.1 43.8 31.7 40.7 43.1 30.9 41.8 --- > 30.4 35.8 40.8 31.3 39.6 41.6 31.3 40.1 40.1 31.3 > 40.2 42.9 31.6 41.1 43.8 31.7 40.7 43.1 30.9 41.7 1012c1012 < 36.7 37.0 37.0 35.8 37.7 35.7 36.5 41.6 32.2 37.2 --- > 36.7 37.0 37.0 35.8 37.6 35.7 36.5 41.6 32.2 37.2 1020c1020 < 45.1 41.8 31.3 45.3 41.6 32.6 44.4 41.3 36.3 23.0 --- > 45.1 41.8 31.3 45.2 41.6 32.6 44.4 41.3 36.3 23.0 1034,1035c1034,1035 < 46.3 44.1 41.6 42.3 52.8 38.0 42.8 53.5 37.5 43.0 < 52.0 38.0 42.6 49.9 36.1 43.2 50.2 36.7 42.1 49.2 --- > 46.3 44.1 41.6 42.3 52.8 38.0 42.8 53.4 37.5 42.9 > 52.0 38.0 42.6 49.9 36.1 43.3 50.2 36.7 42.2 49.2 1038c1038 < 48.2 43.6 35.3 49.1 43.9 35.8 48.2 42.7 36.7 55.0 --- > 48.2 43.6 35.2 49.1 43.9 35.8 48.2 42.7 36.7 55.0 1045,1047c1045,1047 < 43.1 42.1 42.2 41.5 42.8 41.6 41.1 42.0 41.8 42.4 < 46.9 48.4 36.2 46.7 49.0 37.0 47.6 48.8 35.7 43.8 < 54.4 36.3 43.9 53.9 35.5 44.6 54.7 36.5 40.5 45.0 --- > 43.0 42.1 42.2 41.5 42.7 41.6 41.1 42.0 41.8 42.4 > 46.9 48.4 36.2 46.7 49.0 37.0 47.6 48.9 35.7 43.8 > 54.4 36.3 43.9 53.9 35.5 44.7 54.7 36.5 40.5 45.0 1051,1052c1051,1052 < 29.9 44.0 51.2 29.5 45.2 48.0 42.0 44.6 48.6 41.5 < 46.1 48.4 41.8 46.9 50.0 38.5 47.8 50.3 38.2 47.0 --- > 29.8 44.0 51.2 29.5 45.2 48.0 42.0 44.6 48.6 41.5 > 46.1 48.3 41.8 46.9 50.0 38.5 47.8 50.3 38.2 47.0 1055,1056c1055,1056 < 48.8 39.2 40.3 49.2 38.7 39.7 49.2 40.1 40.3 34.9 < 50.8 38.0 35.1 50.2 37.3 34.9 50.2 38.8 43.5 49.3 --- > 48.8 39.2 40.3 49.3 38.7 39.7 49.2 40.1 40.3 34.9 > 50.8 38.0 35.1 50.2 37.3 34.8 50.2 38.8 43.5 49.3 1060,1061c1060,1061 < 42.5 40.0 46.4 42.6 40.5 54.5 41.1 41.4 54.2 41.1 < 40.2 54.2 40.2 37.9 50.3 36.1 37.0 50.0 36.2 38.1 --- > 42.5 39.9 46.4 42.6 40.5 54.5 41.1 41.4 54.2 41.1 > 40.2 54.2 40.2 37.9 50.3 36.1 37.0 50.0 36.3 38.1 1076c1076 < 40.0 46.4 35.2 40.3 46.8 36.7 41.5 43.7 44.8 40.9 --- > 39.9 46.4 35.2 40.3 46.8 36.7 41.5 43.7 44.8 40.9 1079c1079 < 41.6 45.7 34.1 46.0 46.0 35.9 46.3 46.9 36.1 45.6 --- > 41.6 45.7 34.1 46.0 46.0 35.9 46.3 46.9 36.1 45.5 1084c1084 < 36.8 42.1 43.0 36.7 42.1 44.3 36.0 44.5 40.7 40.7 --- > 36.8 42.1 43.0 36.7 42.2 44.3 36.0 44.5 40.7 40.7 1086,1087c1086,1087 < 57.0 41.0 36.6 57.0 41.3 35.1 56.3 40.7 34.8 56.4 < 39.8 34.3 56.6 41.2 41.3 55.5 36.0 41.5 56.3 35.5 --- > 57.0 41.0 36.6 57.0 41.3 35.1 56.3 40.7 34.9 56.4 > 39.8 34.3 56.6 41.2 41.3 55.5 36.0 41.6 56.3 35.5 1089c1089 < 53.3 35.8 38.2 49.0 33.6 37.5 49.1 33.0 38.0 48.3 --- > 53.3 35.8 38.2 49.1 33.6 37.5 49.1 33.0 38.0 48.3 1091c1091 < 44.4 49.5 29.8 45.2 49.5 30.4 43.8 48.9 30.3 50.4 --- > 44.4 49.5 29.8 45.2 49.6 30.4 43.8 48.9 30.3 50.4 1095c1095 < 41.6 36.0 45.1 41.3 36.6 45.6 40.8 38.2 46.3 41.3 --- > 41.6 36.0 45.1 41.3 36.5 45.6 40.8 38.2 46.3 41.3 1103c1103 < 50.1 51.3 37.5 49.1 50.5 36.7 53.1 46.8 38.0 53.3 --- > 50.1 51.3 37.4 49.1 50.5 36.7 53.1 46.8 38.0 53.3 1105c1105 < 33.4 42.1 42.1 32.9 46.6 38.2 37.7 45.7 37.9 37.6 --- > 33.4 42.1 42.1 32.9 46.6 38.2 37.7 45.7 38.0 37.6 1109c1109 < 24.7 3.6 21.3 24.2 4.1 20.7 25.6 4.0 21.2 19.5 --- > 24.7 3.6 21.3 24.2 4.0 20.7 25.6 4.0 21.2 19.5 1113,1114c1113,1114 < 0.6 21.7 25.3 2.0 21.7 21.4 -2.0 22.9 20.8 -1.4 < 22.5 21.2 -2.9 22.5 20.8 -1.5 25.5 21.0 -2.4 25.8 --- > 0.7 21.7 25.3 2.0 21.7 21.4 -2.0 22.9 20.8 -1.4 > 22.5 21.2 -2.9 22.4 20.8 -1.5 25.5 21.0 -2.4 25.8 1116,1117c1116,1117 < 1.8 31.6 17.1 -1.7 28.5 17.1 -2.4 29.2 17.5 -1.0 < 29.0 20.9 7.5 23.9 20.8 8.4 24.2 20.2 7.1 24.3 --- > 1.8 31.6 17.1 -1.7 28.5 17.1 -2.4 29.3 17.5 -0.9 > 29.0 20.9 7.5 23.9 20.8 8.4 24.1 20.2 7.1 24.3 1120c1120 < 29.4 24.9 0.2 28.8 25.2 0.0 30.3 30.3 1.9 25.8 --- > 29.4 25.0 0.2 28.8 25.2 0.0 30.3 30.3 1.9 25.8 1137c1137 < 4.9 26.4 27.3 5.1 25.6 27.5 5.0 27.1 23.4 -0.4 --- > 4.9 26.4 27.3 5.0 25.6 27.5 5.0 27.1 23.4 -0.4 1145c1145 < 22.2 2.9 30.4 21.9 2.7 31.3 21.5 3.4 30.1 23.7 --- > 22.2 2.9 30.4 21.9 2.7 31.3 21.5 3.5 30.1 23.7 1147c1147 < 28.4 23.1 1.9 29.1 22.9 1.3 27.8 25.9 -0.1 17.8 --- > 28.4 23.1 2.0 29.1 22.9 1.3 27.8 25.9 -0.1 17.8 1149,1150c1149,1150 < 2.5 35.2 27.8 3.8 35.0 18.1 10.1 28.4 17.7 10.6 < 29.0 17.4 9.7 27.9 29.2 0.9 34.6 28.5 0.3 34.8 --- > 2.5 35.2 27.8 3.8 35.0 18.1 10.1 28.4 17.6 10.6 > 29.0 17.4 9.7 27.8 29.2 0.9 34.6 28.5 0.3 34.8 1156c1156 < 20.8 28.5 1.5 21.6 27.1 1.2 21.1 25.0 7.1 26.0 --- > 20.8 28.4 1.5 21.6 27.1 1.2 21.1 25.0 7.1 26.0 1161,1163c1161,1163 < 9.2 31.2 27.1 2.3 37.9 27.4 2.7 37.1 26.4 2.9 < 38.2 25.2 6.3 29.6 24.9 5.6 29.0 25.8 6.8 29.1 < 27.5 3.8 30.9 26.5 3.8 30.8 27.6 3.0 31.3 24.5 --- > 9.1 31.2 27.1 2.3 37.9 27.4 2.7 37.1 26.4 2.9 > 38.2 25.2 6.3 29.6 25.0 5.6 29.0 25.9 6.8 29.1 > 27.5 3.8 30.9 26.5 3.8 30.7 27.6 3.0 31.3 24.5 1171c1171 < 27.0 20.1 4.0 28.9 19.8 3.2 28.5 20.8 4.3 28.3 --- > 27.0 20.1 4.0 28.9 19.8 3.2 28.5 20.9 4.3 28.3 1174c1174 < 22.2 20.1 4.4 21.8 20.8 3.4 22.6 32.9 2.2 36.7 --- > 22.2 20.1 4.4 21.8 20.8 3.3 22.6 32.9 2.2 36.7 1180,1181c1180,1181 < 39.7 14.4 -1.4 31.4 15.0 -0.8 31.8 14.9 -2.1 31.0 < 21.0 -1.2 38.7 20.3 -0.7 39.0 20.7 -1.5 37.8 14.5 --- > 39.7 14.4 -1.4 31.4 15.0 -0.7 31.8 14.9 -2.1 31.1 > 21.0 -1.2 38.7 20.4 -0.7 39.0 20.7 -1.5 37.8 14.5 1183c1183 < 31.7 17.1 0.2 30.9 17.3 0.1 32.4 18.7 -0.1 33.5 --- > 31.7 17.1 0.2 30.9 17.3 0.2 32.4 18.7 -0.1 33.5 1188c1188 < 2.5 19.4 28.5 -0.5 18.9 27.6 -0.7 18.5 28.3 0.0 --- > 2.5 19.4 28.5 -0.5 18.9 27.6 -0.7 18.5 28.2 0.0 1202c1202 < 35.2 15.6 21.1 35.6 17.1 21.1 42.6 10.9 27.3 42.8 --- > 35.2 15.7 21.1 35.6 17.1 21.1 42.6 10.9 27.4 42.8 1205c1205 < 33.7 12.8 25.4 36.8 2.6 31.8 36.6 3.6 31.8 35.9 --- > 33.7 12.8 25.3 36.8 2.6 31.8 36.6 3.6 31.8 35.9 1208,1210c1208,1210 < 29.0 12.5 28.4 28.1 12.4 28.6 29.2 13.4 28.5 40.2 < 10.4 28.7 39.7 11.0 28.1 39.9 10.6 29.5 32.4 11.4 < 20.7 32.1 11.6 21.6 31.8 11.8 20.1 26.5 12.8 29.3 --- > 29.0 12.5 28.4 28.1 12.4 28.6 29.2 13.4 28.5 40.3 > 10.4 28.7 39.7 10.9 28.1 39.9 10.6 29.5 32.4 11.4 > 20.7 32.1 11.6 21.6 31.8 11.9 20.1 26.5 12.8 29.3 1213c1213 < 36.2 31.2 12.2 35.8 40.7 7.9 29.7 40.5 8.7 29.2 --- > 36.2 31.2 12.1 35.8 40.7 7.9 29.7 40.5 8.7 29.2 1222c1222 < 30.3 35.6 7.0 29.2 33.4 15.6 26.3 33.7 16.0 25.5 --- > 30.3 35.6 7.0 29.2 33.4 15.6 26.3 33.7 16.0 25.4 1224c1224 < 14.8 30.2 31.5 12.3 23.0 32.1 12.6 23.7 31.0 11.5 --- > 14.8 30.2 31.5 12.3 23.0 32.1 12.5 23.7 31.0 11.5 1232c1232 < 33.8 18.7 22.5 30.1 4.8 39.1 29.7 4.3 39.7 30.8 --- > 33.8 18.7 22.5 30.1 4.8 39.1 29.7 4.3 39.8 30.8 1236,1237c1236,1237 < 10.9 35.2 26.9 10.1 35.7 26.1 10.8 34.7 34.6 19.6 < 36.6 34.2 18.8 36.5 35.3 19.7 35.9 29.1 19.8 31.7 --- > 10.9 35.2 26.9 10.1 35.7 26.0 10.8 34.7 34.6 19.6 > 36.6 34.2 18.8 36.4 35.3 19.7 35.9 29.1 19.8 31.7 1240c1240 < 36.1 32.4 17.4 36.8 34.3 1.6 32.6 34.0 2.4 33.0 --- > 36.1 32.4 17.5 36.8 34.3 1.6 32.6 34.0 2.4 33.0 1242c1242 < 14.2 25.6 35.1 11.7 20.6 34.2 11.8 20.5 35.3 11.3 --- > 14.1 25.6 35.1 11.7 20.6 34.2 11.8 20.5 35.3 11.3 1245,1248c1245,1248 < 4.7 28.9 31.8 4.4 28.3 31.5 4.3 29.7 40.6 15.0 < 21.8 39.8 14.9 21.3 41.2 14.3 21.5 35.5 10.9 23.1 < 35.3 11.4 23.9 36.4 11.3 22.9 34.2 16.2 23.8 34.0 < 15.9 23.0 33.9 17.1 23.8 39.2 14.8 28.0 38.8 15.6 --- > 4.7 28.9 31.8 4.3 28.3 31.5 4.3 29.7 40.6 15.0 > 21.8 39.8 14.9 21.3 41.2 14.2 21.5 35.5 10.9 23.1 > 35.3 11.4 23.9 36.4 11.3 22.9 34.2 16.3 23.8 34.0 > 15.8 23.0 33.9 17.1 23.7 39.2 14.8 28.0 38.8 15.6 1250,1252c1250,1252 < 29.0 6.4 27.4 39.1 12.3 27.1 39.1 13.2 27.5 39.8 < 12.3 26.5 29.5 8.5 20.8 28.8 9.2 20.9 29.5 8.5 < 19.8 31.8 3.7 24.7 31.6 3.4 23.8 31.3 3.1 25.2 --- > 29.0 6.4 27.5 39.1 12.3 27.1 39.1 13.2 27.5 39.8 > 12.3 26.5 29.5 8.5 20.8 28.8 9.2 21.0 29.5 8.5 > 19.8 31.8 3.7 24.7 31.6 3.4 23.8 31.4 3.1 25.2 1256c1256 < 36.1 12.8 25.1 35.7 11.9 26.2 33.3 15.4 21.3 32.5 --- > 36.1 12.8 25.1 35.7 11.9 26.2 33.3 15.4 21.3 32.4 1259,1261c1259,1261 < 37.5 8.3 25.2 37.8 19.6 26.5 38.1 20.1 25.7 38.5 < 19.8 27.1 25.6 12.4 25.5 25.3 12.0 24.7 25.0 12.0 < 26.2 31.6 12.0 27.5 31.6 11.0 27.4 30.7 12.2 27.8 --- > 37.5 8.3 25.2 37.8 19.6 26.5 38.0 20.1 25.7 38.5 > 19.8 27.1 25.6 12.4 25.5 25.4 12.0 24.7 25.0 12.0 > 26.1 31.6 12.0 27.5 31.6 11.0 27.4 30.7 12.2 27.8 1266c1266 < 15.0 23.4 41.5 15.7 24.7 28.9 7.6 30.6 29.6 7.6 --- > 15.0 23.4 41.5 15.7 24.7 28.9 7.6 30.6 29.6 7.5 1274,1275c1274,1275 < 33.0 7.3 34.8 34.5 6.8 34.7 38.2 15.9 37.4 38.0 < 15.4 36.6 37.8 16.8 37.2 35.4 14.2 34.1 35.3 14.9 --- > 33.1 7.3 34.8 34.5 6.8 34.7 38.2 15.9 37.4 37.9 > 15.4 36.6 37.8 16.8 37.3 35.4 14.2 34.1 35.3 14.9 1294c1294 < 25.0 41.9 12.3 25.8 29.7 18.6 34.0 30.5 19.1 34.2 --- > 25.0 41.9 12.2 25.8 29.7 18.6 34.0 30.5 19.1 34.2 1297c1297 < 29.9 37.2 11.3 31.3 37.2 12.1 30.9 38.1 11.0 31.3 --- > 29.9 37.2 11.3 31.3 37.2 12.1 30.8 38.1 11.0 31.3 1299c1299 < 21.6 23.1 36.3 21.2 22.2 36.8 21.2 23.7 34.7 13.8 --- > 21.6 23.1 36.3 21.3 22.2 36.8 21.2 23.7 34.7 13.8 1302c1302 < 22.1 25.8 29.4 22.1 27.2 20.0 10.9 30.3 20.6 10.2 --- > 22.1 25.8 29.4 22.1 27.2 20.0 10.9 30.3 20.6 10.3 1306,1307c1306,1307 < 37.2 37.6 18.4 36.5 38.6 18.5 36.4 37.3 18.7 35.7 < 24.9 11.2 23.2 25.4 10.4 23.4 24.0 10.9 23.1 35.8 --- > 37.2 37.6 18.4 36.5 38.6 18.5 36.4 37.2 18.7 35.7 > 24.9 11.2 23.2 25.4 10.4 23.4 24.0 10.8 23.1 35.8 1309c1309 < 28.8 26.3 8.9 29.0 27.6 8.7 28.2 38.1 18.7 30.4 --- > 28.8 26.3 8.9 29.0 27.6 8.8 28.2 38.1 18.7 30.4 1311c1311 < 5.0 35.1 30.0 6.3 34.8 26.4 9.0 23.1 26.1 8.1 --- > 5.0 35.1 30.1 6.3 34.9 26.4 9.0 23.1 26.1 8.1 1313c1313 < 36.2 19.7 27.2 29.8 7.8 23.4 29.6 8.1 22.5 30.1 --- > 36.2 19.7 27.2 29.8 7.8 23.4 29.7 8.1 22.5 30.1 1315c1315 < 29.2 31.0 6.4 32.0 30.8 6.3 32.9 30.2 6.8 31.6 --- > 29.2 31.1 6.4 32.0 30.8 6.3 32.9 30.2 6.8 31.6 1318c1318 < 23.2 34.6 9.4 23.2 33.9 8.4 22.3 28.7 9.9 27.5 --- > 23.2 34.6 9.4 23.2 33.9 8.4 22.3 28.7 10.0 27.5 1320c1320 < 6.5 28.9 31.9 7.7 29.5 33.0 7.9 30.9 33.0 8.7 --- > 6.5 28.9 31.9 7.8 29.5 33.0 7.9 30.9 33.0 8.7 1323c1323 < 12.8 31.9 31.4 6.4 25.2 31.6 5.5 24.9 30.9 6.8 --- > 12.8 31.9 31.4 6.4 25.2 31.6 5.5 24.8 30.9 6.8 1335c1335 < 15.2 34.7 42.1 14.9 35.5 41.7 14.4 34.1 30.5 18.4 --- > 15.2 34.7 42.1 14.9 35.5 41.7 14.4 34.2 30.5 18.4 1338,1339c1338,1339 < 8.4 35.0 31.8 9.6 35.2 43.7 17.0 35.5 43.2 17.3 < 36.3 43.1 16.6 35.0 44.0 14.6 27.7 44.9 15.0 28.0 --- > 8.4 35.0 31.8 9.6 35.3 43.7 17.0 35.5 43.2 17.3 > 36.3 43.2 16.5 35.0 44.0 14.6 27.7 44.9 15.0 28.0 1342c1342 < 22.5 33.7 4.2 33.3 34.6 4.4 32.9 33.6 4.8 34.0 --- > 22.6 33.7 4.2 33.3 34.6 4.4 32.9 33.6 4.8 34.0 1350,1351c1350,1351 < 11.4 17.2 42.4 9.5 31.2 41.9 8.9 30.7 43.2 9.0 < 31.5 39.5 3.1 27.8 38.7 3.0 28.4 40.1 2.4 28.0 --- > 11.4 17.2 42.4 9.5 31.2 41.9 8.9 30.7 43.1 9.0 > 31.5 39.5 3.1 27.8 38.7 3.0 28.5 40.1 2.4 28.0 1367c1367 < 28.0 14.3 34.3 36.9 7.8 23.5 35.9 8.0 23.5 37.2 --- > 28.0 14.3 34.3 36.9 7.8 23.5 36.0 8.0 23.6 37.2 1369c1369 < 25.9 42.8 8.3 26.8 43.3 7.8 26.0 43.0 7.7 27.5 --- > 25.9 42.8 8.3 26.8 43.3 7.9 26.0 43.0 7.7 27.5 1371c1371 < 17.5 17.9 37.0 17.8 18.5 35.8 18.3 17.7 37.6 13.5 --- > 17.5 18.0 37.0 17.8 18.5 35.8 18.3 17.7 37.6 13.5 1376,1377c1376,1377 < 38.7 17.9 20.3 38.2 14.9 20.3 38.1 14.8 19.3 37.5 < 15.4 20.6 22.3 8.6 34.1 23.0 9.2 34.3 21.6 9.0 --- > 38.7 17.8 20.3 38.2 14.9 20.3 38.1 14.8 19.3 37.5 > 15.4 20.6 22.3 8.6 34.1 23.1 9.2 34.3 21.6 9.1 1381c1381 < 28.6 30.9 22.0 28.7 32.0 21.1 28.1 28.4 7.0 38.7 --- > 28.6 30.9 22.0 28.7 32.0 21.1 28.0 28.4 7.0 38.7 1384c1384 < 28.9 44.3 27.8 29.8 40.1 29.7 25.8 39.8 29.9 24.8 --- > 28.9 44.3 27.8 29.8 40.1 29.7 25.8 39.9 29.9 24.8 1389c1389 < 32.2 34.5 40.8 33.1 34.3 41.3 32.1 35.4 41.9 29.5 --- > 32.2 34.4 40.8 33.1 34.3 41.3 32.1 35.4 41.9 29.5 1415c1415 < 42.0 27.5 23.4 42.5 27.8 24.2 41.7 26.6 23.7 40.2 --- > 42.0 27.5 23.4 42.6 27.8 24.2 41.7 26.6 23.7 40.2 1419c1419 < 27.3 25.6 38.6 27.3 24.3 42.8 31.8 32.2 42.3 32.0 --- > 27.4 25.6 38.6 27.3 24.3 42.8 31.8 32.2 42.3 32.0 1423c1423 < 40.0 37.0 31.3 23.7 37.5 32.1 23.9 37.8 30.7 23.6 --- > 40.0 37.0 31.3 23.7 37.5 32.1 23.9 37.7 30.7 23.6 1429c1429 < 34.2 48.2 35.0 35.4 44.3 32.6 36.6 44.6 31.7 36.5 --- > 34.2 48.2 34.9 35.5 44.3 32.6 36.6 44.6 31.7 36.5 1437c1437 < 26.1 24.4 46.7 25.8 23.1 45.0 31.2 23.7 44.8 30.6 --- > 26.1 24.4 46.7 25.8 23.1 45.0 31.2 23.7 44.9 30.6 1461c1461 < 27.5 22.6 36.9 27.3 22.8 38.1 26.7 22.1 37.6 23.6 --- > 27.5 22.6 36.9 27.3 22.8 38.1 26.7 22.2 37.6 23.6 1473,1476c1473,1476 < 33.8 35.3 50.5 35.2 35.6 40.0 23.3 34.9 39.5 23.5 < 35.7 39.5 23.6 34.2 39.5 40.6 29.3 39.4 41.0 30.1 < 38.8 41.0 28.7 40.3 23.5 18.0 39.5 23.6 17.6 40.7 < 22.7 17.8 50.5 32.2 34.5 49.7 31.6 34.7 51.2 31.6 --- > 33.7 35.4 50.5 35.2 35.5 40.0 23.3 34.9 39.5 23.5 > 35.7 39.4 23.6 34.2 39.5 40.6 29.3 39.4 41.0 30.1 > 38.8 41.0 28.7 40.3 23.5 18.0 39.5 23.5 17.6 40.7 > 22.7 17.8 50.5 32.2 34.5 49.7 31.7 34.7 51.2 31.6 1487c1487 < 49.8 32.9 22.6 49.9 32.7 23.5 48.9 32.5 22.4 48.9 --- > 49.8 32.9 22.6 49.9 32.7 23.6 48.9 32.5 22.4 48.9 1491c1491 < 36.0 22.3 47.7 36.2 23.8 45.5 28.8 39.0 44.8 28.4 --- > 36.0 22.3 47.7 36.1 23.8 45.5 28.8 39.0 44.8 28.4 1499c1499 < 35.9 25.5 23.3 34.5 26.0 23.1 47.1 37.0 29.2 46.7 --- > 35.9 25.5 23.2 34.5 26.0 23.0 47.1 37.0 29.2 46.7 1503c1503 < 21.9 35.1 37.0 24.1 23.2 36.7 23.2 23.0 37.2 24.1 --- > 21.8 35.2 37.0 24.1 23.2 36.7 23.2 23.0 37.2 24.0 1508c1508 < 43.7 19.5 32.3 42.4 20.0 31.8 42.4 22.0 20.7 43.1 --- > 43.7 19.5 32.3 42.4 20.0 31.8 42.4 22.0 20.7 43.2 1527,1530c1527,1530 < 30.7 36.1 52.5 29.4 35.2 41.2 33.5 22.6 41.2 34.3 < 22.0 42.2 33.4 22.8 48.5 26.0 36.1 49.4 26.0 35.7 < 48.7 26.3 37.0 42.4 24.6 35.0 41.5 24.1 35.0 42.3 < 25.4 35.3 54.7 31.7 34.8 54.4 32.5 35.4 53.8 31.2 --- > 30.7 36.1 52.5 29.4 35.3 41.2 33.5 22.6 41.2 34.3 > 22.0 42.2 33.4 22.8 48.5 26.0 36.1 49.4 25.9 35.7 > 48.7 26.3 37.0 42.4 24.6 35.0 41.6 24.1 35.0 42.3 > 25.4 35.4 54.7 31.7 34.8 54.4 32.5 35.4 53.8 31.2 1533c1533 < 29.7 23.1 38.7 28.9 22.9 39.9 29.8 22.6 45.1 19.5 --- > 29.7 23.2 38.7 28.9 22.9 39.9 29.8 22.6 45.1 19.5 1535c1535 < 37.3 25.3 20.3 37.7 24.7 21.6 46.3 15.9 28.2 46.9 --- > 37.3 25.3 20.3 37.7 24.6 21.6 46.3 15.9 28.2 46.9 1553c1553 < 48.8 20.6 23.7 49.2 19.5 22.6 47.1 20.4 26.1 47.4 --- > 48.8 20.5 23.7 49.2 19.5 22.6 47.1 20.4 26.1 47.4 1562,1563c1562,1563 < 48.1 32.7 19.2 46.9 33.0 18.2 48.2 28.5 24.1 48.9 < 29.1 23.6 48.1 27.8 23.5 52.4 24.3 23.9 52.2 23.6 --- > 48.0 32.7 19.2 46.9 33.0 18.3 48.2 28.5 24.1 48.9 > 29.1 23.7 48.1 27.8 23.5 52.4 24.3 23.9 52.2 23.6 1569c1569 < 19.4 20.5 42.0 20.2 20.7 41.8 19.2 19.6 40.7 38.2 --- > 19.4 20.5 42.1 20.2 20.7 41.8 19.2 19.6 40.7 38.2 1574c1574 < 54.6 44.8 28.9 50.9 45.5 26.3 50.3 45.3 25.6 50.7 --- > 54.6 44.8 28.9 50.9 45.5 26.3 50.2 45.3 25.6 50.7 1576c1576 < 35.6 48.8 47.8 29.2 49.6 47.3 29.2 48.7 48.1 30.1 --- > 35.7 48.8 47.8 29.2 49.6 47.3 29.2 48.7 48.1 30.1 1578c1578 < 47.0 35.8 51.4 46.9 35.5 50.6 47.5 36.7 52.8 45.4 --- > 47.0 35.8 51.5 46.9 35.5 50.6 47.5 36.7 52.8 45.4 1580c1580 < 52.4 40.9 19.0 51.6 42.0 19.6 53.1 43.3 21.7 53.2 --- > 52.4 40.9 19.0 51.6 42.0 19.7 53.1 43.3 21.7 53.2 1586c1586 < 54.1 41.7 36.4 53.2 42.0 36.5 54.4 41.2 37.2 53.0 --- > 54.1 41.7 36.3 53.2 42.0 36.5 54.4 41.3 37.2 53.0 1591c1591 < 24.2 52.7 40.8 24.0 51.5 41.4 37.0 51.0 42.1 37.5 --- > 24.2 52.7 40.8 24.0 51.5 41.4 37.0 51.1 42.1 37.5 1593c1593 < 42.5 28.3 49.3 40.8 26.0 48.9 41.2 26.8 49.2 41.3 --- > 42.5 28.3 49.3 40.8 26.0 48.9 41.3 26.7 49.2 41.3 1600c1600 < 35.6 48.4 41.8 34.6 49.6 51.0 32.5 50.5 51.3 32.2 --- > 35.6 48.4 41.9 34.6 49.6 51.0 32.5 50.5 51.3 32.2 1605c1605 < 36.9 26.5 51.8 36.9 26.4 50.7 36.4 27.3 50.9 38.6 --- > 36.9 26.5 51.8 36.9 26.4 50.7 36.4 27.4 50.9 38.6 1609c1609 < 22.1 55.6 45.1 22.2 45.5 43.2 24.7 45.6 42.6 24.0 --- > 22.1 55.6 45.1 22.3 45.5 43.2 24.7 45.6 42.6 24.0 1615c1615 < 23.7 47.6 41.9 23.6 49.0 41.5 23.1 48.5 38.2 26.2 --- > 23.7 47.7 41.9 23.5 49.1 41.5 23.2 48.5 38.2 26.2 1620c1620 < 43.7 33.9 50.9 39.0 34.9 50.2 39.0 35.6 50.4 39.0 --- > 43.7 33.9 50.9 39.0 34.9 50.3 39.0 35.6 50.4 39.0 1628c1628 < 48.0 39.1 36.8 46.1 41.1 23.1 46.6 40.3 23.3 45.3 --- > 48.0 39.1 36.8 46.1 41.1 23.1 46.6 40.3 23.2 45.3 1632c1632 < 37.6 23.6 51.8 37.9 22.8 52.2 38.3 24.3 52.3 36.5 --- > 37.6 23.6 51.9 37.9 22.8 52.2 38.3 24.2 52.3 36.5 1645c1645 < 38.1 53.1 38.9 37.9 52.3 47.1 22.1 52.2 47.4 21.2 --- > 38.1 53.1 38.9 38.0 52.3 47.1 22.1 52.2 47.4 21.2 1649c1649 < 52.3 39.3 18.2 51.4 38.9 18.4 52.3 39.4 17.3 45.3 --- > 52.3 39.3 18.2 51.4 38.9 18.4 52.3 39.4 17.2 45.3 1653c1653 < 41.8 40.5 53.4 40.4 39.9 52.4 35.6 18.6 52.8 36.3 --- > 41.8 40.5 53.3 40.4 40.0 52.4 35.6 18.6 52.8 36.3 1655c1655 < 45.3 45.4 29.4 52.5 43.3 40.0 52.6 44.2 40.4 52.7 --- > 45.3 45.4 29.4 52.5 43.3 40.0 52.6 44.2 40.3 52.7 1659c1659 < 51.8 28.3 47.7 51.0 27.9 46.8 52.2 27.7 43.4 40.9 --- > 51.7 28.3 47.7 51.0 27.9 46.8 52.2 27.7 43.4 40.9 1661c1661 < 54.4 34.3 21.7 55.5 33.7 22.5 49.5 37.2 38.7 50.2 --- > 54.4 34.3 21.7 55.5 33.7 22.6 49.5 37.2 38.7 50.2 1665,1667c1665,1667 < 0.3 14.2 32.6 0.6 19.5 32.8 0.8 20.4 33.3 1.2 < 19.1 26.8 -0.8 15.2 27.6 -0.6 14.7 26.2 -0.1 14.9 < 30.7 1.4 15.2 30.1 2.1 15.1 30.7 1.1 16.1 30.4 --- > 0.2 14.2 32.6 0.6 19.5 32.8 0.8 20.4 33.3 1.2 > 19.1 26.8 -0.8 15.2 27.6 -0.7 14.7 26.2 -0.1 14.9 > 30.7 1.4 15.2 30.0 2.1 15.1 30.7 1.1 16.1 30.4 1677c1677 < 5.7 15.5 38.3 5.2 15.7 39.1 6.4 16.2 36.4 5.1 --- > 5.7 15.5 38.4 5.2 15.7 39.1 6.4 16.2 36.4 5.1 1693c1693 < 23.2 39.7 13.6 17.7 39.9 12.9 17.1 38.9 14.0 17.5 --- > 23.3 39.7 13.6 17.7 39.9 12.9 17.1 38.9 14.0 17.5 1700,1701c1700,1701 < 48.7 10.0 11.5 48.5 11.2 12.9 49.0 11.7 12.4 48.7 < 11.3 13.8 34.2 3.3 12.4 33.9 2.5 12.0 33.9 3.2 --- > 48.7 10.1 11.5 48.5 11.2 12.9 49.0 11.7 12.4 48.7 > 11.3 13.8 34.2 3.3 12.4 33.9 2.5 11.9 33.9 3.1 1704c1704 < 9.3 14.6 40.9 9.3 14.4 39.6 8.6 14.0 45.2 10.9 --- > 9.3 14.6 40.8 9.3 14.4 39.6 8.6 14.0 45.2 10.9 1708,1712c1708,1712 < 23.6 49.3 8.6 24.7 44.2 6.6 20.2 44.7 5.8 20.1 < 44.7 7.3 19.8 42.6 10.8 17.3 42.3 10.4 18.1 41.9 < 11.3 16.9 45.2 15.3 7.5 45.4 14.9 8.3 44.7 16.0 < 7.7 43.8 11.1 14.8 43.5 11.2 15.7 43.5 10.2 14.5 < 38.8 6.2 20.0 38.7 5.5 20.6 39.8 6.3 19.8 49.3 --- > 23.6 49.4 8.6 24.6 44.2 6.6 20.2 44.7 5.8 20.1 > 44.7 7.3 19.8 42.6 10.8 17.3 42.4 10.4 18.1 41.9 > 11.3 16.9 45.2 15.3 7.5 45.5 14.9 8.3 44.7 16.0 > 7.7 43.8 11.1 14.8 43.5 11.2 15.7 43.5 10.3 14.5 > 38.8 6.2 20.0 38.7 5.6 20.6 39.8 6.3 19.9 49.3 1720c1720 < 19.3 45.3 14.7 13.1 45.6 14.0 13.6 46.1 15.2 12.9 --- > 19.3 45.3 14.7 13.1 45.6 14.0 13.6 46.0 15.3 12.9 1733c1733 < 35.2 3.3 22.6 34.7 4.2 21.5 42.3 12.9 20.8 42.5 --- > 35.2 3.3 22.6 34.8 4.2 21.5 42.3 12.9 20.8 42.5 1737c1737 < 12.1 15.0 33.1 11.6 14.2 32.5 11.0 14.3 33.4 11.7 --- > 12.1 15.0 33.1 11.6 14.2 32.5 10.9 14.3 33.4 11.7 1740c1740 < 9.8 22.0 52.4 10.5 22.7 52.4 9.0 22.6 38.1 5.2 --- > 9.8 22.0 52.4 10.5 22.7 52.3 9.0 22.6 38.1 5.2 1742c1742 < 44.2 12.8 5.8 45.2 13.7 6.5 44.4 6.9 25.0 45.2 --- > 44.2 12.7 5.8 45.2 13.7 6.5 44.4 6.9 25.0 45.2 1745c1745 < 37.5 6.2 18.7 33.3 6.5 16.2 32.9 6.4 15.4 34.1 --- > 37.5 6.1 18.7 33.3 6.5 16.2 32.9 6.4 15.4 34.1 1761c1761 < 20.4 16.7 51.9 20.0 18.1 53.1 20.8 11.2 52.7 20.4 --- > 20.4 16.7 51.9 20.0 18.1 53.1 20.8 11.2 52.7 20.5 1763c1763 < 49.5 21.8 14.8 46.9 21.2 16.0 47.3 21.4 16.9 46.4 --- > 49.5 21.8 14.8 46.9 21.2 16.0 47.3 21.4 16.9 46.5 1766c1766 < 51.7 21.4 24.3 52.4 21.2 23.7 50.9 21.1 23.9 54.2 --- > 51.7 21.4 24.3 52.4 21.2 23.7 50.9 21.0 23.9 54.2 1775c1775 < 53.9 25.2 11.2 54.0 26.0 11.7 54.4 25.4 10.4 51.2 --- > 53.9 25.2 11.2 53.9 26.0 11.7 54.4 25.4 10.4 51.2 1779c1779 < 14.9 23.4 52.5 13.6 24.0 48.6 18.9 21.1 48.6 18.1 --- > 14.9 23.4 52.5 13.6 24.0 48.6 18.9 21.1 48.6 18.2 1783c1783 < 11.8 52.0 12.4 16.4 52.5 11.6 16.1 52.3 12.5 17.3 --- > 11.8 52.0 12.4 16.4 52.5 11.6 16.1 52.3 12.6 17.3 1795c1795 < 19.9 49.4 20.2 20.3 50.7 20.7 19.7 52.5 19.9 19.9 --- > 19.9 49.4 20.2 20.3 50.7 20.7 19.6 52.5 19.9 19.9 1799,1800c1799,1800 < 43.0 22.3 13.3 46.5 15.3 18.7 46.6 15.0 17.8 46.2 < 16.1 18.7 53.8 29.7 19.2 54.6 30.2 19.5 53.9 29.6 --- > 43.0 22.3 13.3 46.5 15.2 18.7 46.6 15.0 17.8 46.2 > 16.1 18.7 53.8 29.7 19.2 54.6 30.2 19.5 53.9 29.5 1810c1810 < 9.4 48.2 16.7 15.4 47.5 17.3 15.5 49.0 17.3 15.4 --- > 9.4 48.2 16.7 15.4 47.5 17.3 15.5 49.0 17.3 15.5 1814c1814 < 50.9 14.1 20.2 50.8 14.8 18.9 53.3 12.7 18.8 54.0 --- > 50.9 14.1 20.2 50.8 14.8 18.8 53.3 12.7 18.8 54.0 1816c1816 < 16.2 49.7 19.5 15.0 52.1 15.2 16.1 52.0 14.2 16.1 --- > 16.2 49.8 19.5 15.0 52.1 15.2 16.1 52.0 14.2 16.1 1819c1819 < 18.6 45.9 19.4 21.2 45.3 19.4 21.9 45.5 19.8 20.4 --- > 18.6 45.9 19.4 21.2 45.3 19.4 21.9 45.5 19.9 20.4 1823c1823 < 51.2 25.4 15.1 52.0 26.7 15.5 45.0 26.2 14.8 44.1 --- > 51.2 25.4 15.1 52.0 26.6 15.5 45.0 26.2 14.8 44.1 1836c1836 < 23.9 20.5 49.0 22.8 21.7 49.8 23.4 21.8 49.4 22.1 --- > 23.9 20.5 49.0 22.8 21.7 49.7 23.4 21.8 49.4 22.1 1853c1853 < 4.6 33.7 40.0 4.4 38.7 35.1 3.7 38.9 35.7 4.4 --- > 4.6 33.7 40.1 4.4 38.7 35.1 3.7 38.9 35.7 4.4 1855c1855 < 41.4 6.5 27.4 45.6 5.8 27.9 45.6 6.3 26.6 46.2 --- > 41.4 6.5 27.4 45.6 5.8 27.9 45.6 6.2 26.6 46.2 1860c1860 < 33.8 45.0 1.1 32.8 46.0 4.9 37.8 41.3 4.6 38.1 --- > 33.8 45.0 1.2 32.8 46.0 4.9 37.8 41.3 4.6 38.1 1866c1866 < 35.7 39.5 14.8 35.0 39.4 15.6 35.7 40.5 4.0 24.5 --- > 35.7 39.5 14.8 35.0 39.4 15.6 35.8 40.5 4.0 24.5 1870,1871c1870,1871 < 34.0 9.1 36.4 34.9 3.7 32.8 35.2 3.3 33.1 36.0 < 4.5 33.3 35.0 2.4 39.4 36.8 2.0 40.1 37.4 1.9 --- > 34.0 9.1 36.4 35.0 3.7 32.8 35.2 3.3 33.1 36.0 > 4.5 33.3 35.1 2.4 39.4 36.8 2.0 40.1 37.4 1.9 1876,1877c1876,1877 < 37.4 3.4 35.0 37.4 3.1 33.8 38.3 6.3 40.1 38.4 < 5.5 39.6 38.5 6.1 41.0 38.7 4.6 30.8 40.2 4.1 --- > 37.4 3.4 35.0 37.4 3.0 33.8 38.3 6.3 40.1 38.4 > 5.5 39.6 38.6 6.1 41.0 38.7 4.6 30.8 40.2 4.1 1884c1884 < 39.5 43.8 9.8 40.4 44.0 10.2 39.0 44.2 1.8 28.4 --- > 39.5 43.8 9.8 40.4 44.0 10.3 39.0 44.2 1.8 28.4 1886,1888c1886,1888 < 3.6 36.2 43.5 2.2 36.4 44.0 1.1 44.6 35.0 1.8 < 44.4 35.6 0.9 45.5 35.0 4.0 42.0 42.9 3.8 41.1 < 43.2 3.4 42.4 43.5 4.0 36.8 30.5 4.3 36.6 29.7 --- > 3.6 36.2 43.5 2.2 36.4 44.0 1.1 44.6 35.0 1.7 > 44.4 35.6 0.9 45.5 35.0 4.0 42.0 42.9 3.9 41.1 > 43.2 3.4 42.5 43.5 4.0 36.8 30.5 4.3 36.6 29.7 1890c1890 < 38.6 47.4 3.0 28.6 40.7 3.7 28.1 40.3 2.3 28.5 --- > 38.6 47.4 3.0 28.6 40.7 3.8 28.1 40.3 2.3 28.5 1894c1894 < 35.7 6.8 39.8 36.6 6.1 39.2 35.4 6.5 27.5 42.9 --- > 35.7 6.8 39.8 36.6 6.1 39.2 35.5 6.5 27.5 42.9 1896c1896 < 34.4 44.0 5.5 33.3 44.8 3.4 45.5 39.0 3.4 45.0 --- > 34.4 44.0 5.4 33.3 44.9 3.4 45.5 39.0 3.4 45.0 1906c1906 < 37.6 10.9 36.7 38.0 6.4 42.3 34.7 7.2 42.5 34.2 --- > 37.6 10.9 36.7 38.0 6.4 42.2 34.7 7.2 42.5 34.2 1912c1912 < 47.0 9.2 35.4 46.1 7.9 35.8 46.7 2.9 26.4 46.9 --- > 46.9 9.2 35.4 46.1 7.9 35.8 46.7 2.9 26.4 46.9 1921,1922c1921,1922 < 40.5 6.9 26.8 41.4 7.3 27.0 39.9 15.5 35.9 42.3 < 16.3 35.7 42.9 14.8 35.3 42.7 13.6 34.4 43.6 12.8 --- > 40.5 6.8 26.8 41.4 7.3 27.0 39.9 15.5 35.9 42.3 > 16.3 35.7 42.9 14.8 35.3 42.7 13.6 34.4 43.6 12.9 1924,1926c1924,1926 < 38.6 3.2 24.3 38.4 5.8 26.8 36.8 6.0 27.8 36.6 < 5.4 26.5 36.1 4.6 26.8 39.3 4.9 27.0 38.4 5.5 < 26.6 39.7 4.6 30.0 37.6 3.9 30.0 37.0 5.4 29.6 --- > 38.6 3.2 24.3 38.4 5.8 26.8 36.8 6.1 27.8 36.6 > 5.4 26.5 36.0 4.6 26.8 39.3 4.9 27.0 38.4 5.5 > 26.6 39.7 4.6 30.0 37.6 3.9 30.0 37.0 5.3 29.6 1928c1928 < 10.8 31.3 40.9 11.6 31.3 40.3 11.0 30.6 41.6 4.5 --- > 10.8 31.3 40.9 11.6 31.3 40.3 11.0 30.6 41.5 4.5 1932c1932 < 33.0 39.2 13.2 33.9 38.1 6.5 39.1 32.8 7.0 38.4 --- > 32.9 39.2 13.2 33.9 38.1 6.5 39.1 32.8 7.0 38.4 1935c1935 < 22.7 39.7 15.6 49.9 42.3 16.0 50.4 41.6 14.7 49.7 --- > 22.7 39.7 15.6 49.9 42.3 16.0 50.3 41.6 14.7 49.7 1939c1939 < 41.3 20.8 48.1 41.3 19.7 49.0 41.7 11.8 51.0 37.7 --- > 41.3 20.8 48.1 41.2 19.7 49.0 41.7 11.8 51.0 37.7 1947c1947 < 46.1 47.3 14.5 47.0 47.1 15.1 46.0 48.1 17.4 52.2 --- > 46.1 47.3 14.5 47.0 47.1 15.0 46.0 48.1 17.4 52.2 1950c1950 < 50.2 36.7 9.4 49.2 36.6 4.3 50.2 39.9 3.6 50.7 --- > 50.2 36.7 9.4 49.2 36.5 4.3 50.2 39.9 3.6 50.7 1952c1952 < 7.4 49.9 39.6 27.1 50.4 39.7 26.4 49.8 39.5 27.0 --- > 7.4 49.9 39.6 27.1 50.4 39.7 26.4 49.8 39.5 26.9 1954c1954 < 44.6 13.7 48.5 33.0 12.8 48.7 33.4 14.2 48.5 33.8 --- > 44.6 13.7 48.5 33.0 12.8 48.7 33.4 14.3 48.5 33.8 1959c1959 < 48.9 36.1 15.7 48.6 35.2 17.8 52.5 42.2 17.5 53.3 --- > 48.9 36.1 15.7 48.7 35.2 17.8 52.5 42.2 17.5 53.3 1963c1963 < 32.9 10.0 41.6 37.3 9.9 41.2 36.4 9.6 40.9 37.8 --- > 32.9 10.0 41.6 37.3 10.0 41.2 36.4 9.6 40.9 37.8 1971c1971 < 53.7 38.7 8.1 45.2 43.3 8.7 45.4 42.6 7.4 44.7 --- > 53.6 38.7 8.1 45.2 43.3 8.7 45.4 42.6 7.4 44.7 1978,1979c1978,1979 < 40.1 13.7 44.8 39.7 23.2 49.7 41.5 23.1 50.7 41.4 < 22.3 49.4 41.3 10.5 47.1 39.7 10.3 46.6 40.5 11.2 --- > 40.1 13.7 44.8 39.8 23.2 49.7 41.5 23.1 50.7 41.4 > 22.3 49.3 41.3 10.5 47.1 39.7 10.3 46.6 40.5 11.2 1986c1986 < 45.9 35.4 8.2 46.4 36.9 9.9 44.4 45.2 9.7 44.8 --- > 46.0 35.4 8.2 46.4 36.9 9.9 44.4 45.2 9.7 44.8 1991c1991 < 10.3 45.2 41.7 10.5 44.3 41.5 10.9 45.5 42.3 11.9 --- > 10.3 45.2 41.7 10.5 44.3 41.5 10.9 45.5 42.4 11.9 1995,1996c1995,1996 < 51.9 38.0 22.3 52.8 38.4 20.8 53.8 46.9 21.6 53.6 < 47.2 20.3 53.0 46.8 17.9 48.0 49.8 18.6 48.3 49.3 --- > 51.9 37.9 22.3 52.8 38.5 20.8 53.8 46.9 21.6 53.6 > 47.2 20.3 53.0 46.8 17.9 48.0 49.8 18.6 48.2 49.3 1999c1999 < 46.3 12.8 42.4 46.3 13.6 42.8 46.0 12.4 43.0 46.9 --- > 46.3 12.8 42.4 46.3 13.6 42.8 46.0 12.4 43.1 46.9 2006c2006 < 21.5 47.6 44.8 18.0 41.4 40.7 17.8 41.7 41.6 18.6 --- > 21.5 47.6 44.8 18.0 41.4 40.7 17.8 41.7 41.6 18.7 2018c2018 < 20.3 48.1 37.3 20.0 47.4 38.0 20.1 48.9 37.8 24.8 --- > 20.3 48.1 37.3 20.1 47.4 38.0 20.1 48.9 37.8 24.8 2020c2020 < 34.3 17.4 52.8 33.8 16.2 53.7 33.6 8.7 42.4 33.2 --- > 34.3 17.4 52.8 33.8 16.2 53.7 33.7 8.7 42.4 33.2 2022,2023c2022,2023 < 37.6 38.1 14.6 37.1 38.6 24.2 54.5 44.7 24.5 55.4 < 44.6 24.4 54.0 43.9 26.7 54.5 40.4 27.1 53.9 39.8 --- > 37.6 38.0 14.6 37.0 38.6 24.2 54.5 44.7 24.4 55.4 > 44.6 24.3 54.0 43.9 26.7 54.5 40.4 27.1 53.9 39.8 2025c2025 < 54.0 41.8 28.9 55.7 41.4 29.4 55.3 42.2 28.8 56.6 --- > 54.0 41.8 28.9 55.7 41.4 29.4 55.4 42.2 28.8 56.6 2027c2027 < 3.8 12.1 29.5 4.0 11.5 28.8 4.2 13.0 29.1 1.6 --- > 3.8 12.1 29.5 4.1 11.5 28.8 4.2 13.0 29.1 1.6 2029c2029 < 35.0 2.6 14.9 34.1 2.1 13.9 35.2 2.1 17.6 22.0 --- > 35.0 2.6 14.8 34.1 2.1 13.9 35.2 2.1 17.6 22.0 2032c2032 < 22.7 3.7 16.1 21.4 10.1 10.8 28.4 10.6 10.0 28.3 --- > 22.7 3.7 16.1 21.5 10.1 10.8 28.4 10.6 10.0 28.3 2037c2037 < 15.7 35.2 5.5 15.2 34.5 4.3 15.5 35.3 1.0 10.6 --- > 15.7 35.2 5.5 15.2 34.5 4.2 15.5 35.3 1.0 10.6 2040c2040 < 16.7 25.8 8.7 16.2 26.9 4.7 8.4 34.0 4.1 9.2 --- > 16.7 25.8 8.8 16.2 26.9 4.7 8.4 34.0 4.1 9.2 2046c2046 < 20.5 35.4 2.6 21.1 34.8 3.8 20.1 34.8 3.6 10.1 --- > 20.5 35.4 2.6 21.1 34.8 3.8 20.1 34.7 3.6 10.1 2053c2053 < 20.1 1.9 9.6 29.0 1.2 10.2 29.1 2.5 9.9 28.3 --- > 20.1 1.9 9.6 29.0 1.2 10.2 29.1 2.4 9.9 28.3 2059c2059 < 34.9 4.2 11.6 33.4 9.6 14.1 25.0 9.3 14.2 24.1 --- > 34.9 4.2 11.6 33.4 9.6 14.0 25.0 9.3 14.2 24.1 2067,2070c2067,2070 < 12.1 18.5 5.8 13.5 18.1 8.1 19.2 36.3 7.6 18.8 < 35.6 8.7 19.8 35.8 7.1 17.5 34.4 6.3 17.0 34.6 < 7.8 16.9 34.7 11.2 12.8 29.7 11.4 13.5 29.0 10.9 < 12.1 29.1 1.7 22.7 34.3 2.4 22.8 33.7 1.7 23.6 --- > 12.1 18.5 5.8 13.5 18.1 8.1 19.2 36.3 7.6 18.7 > 35.6 8.7 19.8 35.7 7.1 17.5 34.4 6.3 17.0 34.6 > 7.8 17.0 34.7 11.2 12.8 29.7 11.4 13.5 29.0 10.9 > 12.1 29.2 1.7 22.7 34.3 2.4 22.8 33.7 1.7 23.5 2075c2075 < 3.2 21.4 26.4 3.9 22.6 25.8 2.3 21.7 23.2 2.5 --- > 3.2 21.4 26.4 3.9 22.6 25.8 2.3 21.8 23.2 2.5 2078c2078 < 6.1 19.1 38.9 4.3 21.6 30.1 4.0 21.2 29.2 5.0 --- > 6.1 19.2 38.8 4.3 21.6 30.1 4.0 21.2 29.2 5.0 2083c2083 < 25.3 12.6 13.6 24.6 11.3 14.1 25.1 6.3 19.8 21.7 --- > 25.3 12.6 13.6 24.5 11.3 14.1 25.1 6.3 19.8 21.7 2086c2086 < 36.5 0.7 22.1 35.9 9.8 18.0 38.0 9.1 18.3 37.4 --- > 36.4 0.7 22.2 35.9 9.8 18.0 38.0 9.1 18.3 37.4 2088c2088 < 15.0 34.7 6.0 11.2 36.1 6.9 11.0 35.8 6.1 11.7 --- > 15.0 34.7 6.0 11.2 36.1 6.9 11.1 35.8 6.1 11.7 2097c2097 < 11.2 15.9 9.4 9.8 31.0 8.9 8.9 30.9 10.3 9.5 --- > 11.2 15.9 9.4 9.8 31.0 9.0 8.9 30.9 10.3 9.5 2099c2099 < 13.3 11.8 31.1 12.6 12.1 30.5 13.2 12.3 31.9 1.1 --- > 13.3 11.8 31.1 12.6 12.1 30.5 13.2 12.2 31.9 1.1 2101c2101 < 23.9 5.1 8.7 23.7 6.0 7.5 23.3 9.4 7.5 26.4 --- > 23.9 5.1 8.7 23.7 6.0 7.6 23.4 9.4 7.5 26.4 2103c2103 < 8.3 27.8 11.4 7.8 29.0 4.9 18.1 17.5 5.2 17.7 --- > 8.3 27.8 11.4 7.8 29.0 4.9 18.1 17.5 5.3 17.7 2111c2111 < 11.1 27.6 29.3 12.3 27.4 30.1 8.1 29.6 26.3 7.7 --- > 11.1 27.6 29.3 12.3 27.4 30.1 8.1 29.6 26.2 7.8 2116c2116 < 21.5 7.5 31.6 35.1 7.9 32.3 34.5 8.0 31.8 35.9 --- > 21.5 7.5 31.6 35.1 7.9 32.3 34.6 8.0 31.7 35.9 2130c2130 < 38.6 24.5 8.9 37.5 24.5 9.4 26.7 35.5 8.9 26.2 --- > 38.6 24.5 8.9 37.5 24.4 9.4 26.7 35.5 8.9 26.2 2133,2134c2133,2134 < 26.4 21.5 9.9 29.0 36.9 10.8 29.1 36.8 9.5 29.8 < 37.0 17.1 30.2 34.8 17.4 29.6 34.2 16.2 30.3 34.7 --- > 26.3 21.5 9.9 29.0 36.9 10.8 29.1 36.8 9.5 29.8 > 37.1 17.1 30.2 34.8 17.4 29.6 34.2 16.2 30.3 34.7 2137c2137 < 25.8 19.0 31.9 25.6 20.0 31.6 26.7 14.2 23.1 34.4 --- > 25.8 19.0 31.9 25.6 20.1 31.6 26.7 14.2 23.1 34.4 2142,2143c2142,2143 < 30.1 30.5 10.2 27.1 23.6 10.7 27.6 24.3 9.7 26.5 < 24.1 8.0 25.3 37.3 7.4 26.0 37.3 7.5 24.5 37.3 --- > 30.1 30.5 10.2 27.1 23.6 10.6 27.6 24.3 9.7 26.5 > 24.1 8.0 25.3 37.3 7.4 26.0 37.3 7.5 24.5 37.4 2149c2149 < 23.7 12.2 33.7 22.4 9.1 19.6 40.0 8.9 19.0 40.7 --- > 23.7 12.2 33.6 22.4 9.1 19.6 40.0 8.9 19.0 40.7 2151,2152c2151,2152 < 30.3 23.4 6.6 34.7 24.8 6.8 35.6 24.7 7.5 34.3 < 25.0 11.7 22.5 38.1 12.6 22.8 38.4 11.8 22.3 37.2 --- > 30.2 23.4 6.6 34.7 24.8 6.8 35.6 24.7 7.5 34.3 > 25.1 11.7 22.5 38.1 12.6 22.8 38.4 11.8 22.3 37.2 2154c2154 < 34.3 36.5 12.0 33.5 36.1 13.1 34.6 35.8 7.9 34.4 --- > 34.3 36.5 12.1 33.5 36.1 13.1 34.6 35.8 7.9 34.4 2156,2157c2156,2157 < 13.2 35.6 33.8 14.6 35.2 33.9 11.2 31.9 35.6 11.7 < 31.1 35.8 10.5 32.0 36.2 14.8 17.5 31.9 14.1 18.0 --- > 13.2 35.6 33.8 14.6 35.2 33.9 11.2 31.9 35.5 11.7 > 31.1 35.8 10.6 32.0 36.2 14.8 17.5 31.9 14.1 18.0 2175c2175 < 31.6 25.4 16.9 33.0 25.6 16.2 23.3 26.7 15.5 22.7 --- > 31.6 25.4 16.9 33.0 25.7 16.2 23.3 26.7 15.5 22.7 2181c2181 < 25.3 25.1 8.1 25.6 25.5 9.4 24.9 25.8 11.2 34.9 --- > 25.3 25.1 8.1 25.6 25.5 9.4 24.9 25.9 11.2 34.9 2188c2188 < 30.8 6.1 26.9 23.1 5.1 26.7 23.3 6.2 26.2 22.4 --- > 30.8 6.1 26.9 23.1 5.1 26.7 23.3 6.3 26.2 22.4 2192c2192 < 11.4 22.9 35.2 12.8 22.3 35.1 17.4 30.8 37.5 17.3 --- > 11.4 22.9 35.3 12.8 22.3 35.2 17.4 30.8 37.5 17.3 2200,2201c2200,2201 < 36.0 18.8 33.6 35.2 19.0 35.1 35.6 8.0 22.9 35.2 < 7.4 23.0 35.9 7.4 22.6 34.5 6.8 39.6 29.4 7.0 --- > 36.0 18.8 33.6 35.2 19.0 35.1 35.6 8.0 22.9 35.1 > 7.4 23.0 35.9 7.3 22.6 34.5 6.8 39.6 29.4 7.0 2224c2224 < 38.2 3.4 26.5 23.5 3.5 25.6 23.4 2.9 26.8 22.8 --- > 38.2 3.4 26.5 23.5 3.6 25.6 23.4 2.9 26.8 22.8 2228,2229c2228,2229 < 10.5 21.1 35.1 9.1 21.6 35.1 4.2 23.9 23.3 3.5 < 23.3 23.4 4.8 23.7 24.1 14.0 34.7 27.6 13.8 33.9 --- > 10.5 21.1 35.2 9.1 21.6 35.2 4.2 23.9 23.4 3.5 > 23.2 23.4 4.8 23.7 24.1 14.0 34.7 27.6 13.8 33.9 2235c2235 < 22.8 23.7 13.7 23.7 23.6 12.8 22.7 22.9 7.7 25.8 --- > 22.8 23.7 13.6 23.7 23.6 12.8 22.7 22.9 7.7 25.8 2255c2255 < 9.5 23.8 35.0 10.1 25.2 35.3 22.5 32.9 35.7 21.9 --- > 9.6 23.8 35.0 10.1 25.1 35.3 22.5 32.9 35.7 21.9 2258c2258 < 19.3 28.3 33.5 7.3 29.2 23.7 6.8 28.4 23.6 7.9 --- > 19.3 28.3 33.5 7.2 29.2 23.7 6.8 28.3 23.6 7.9 2276c2276 < 14.1 17.0 25.4 9.7 25.8 41.0 8.8 26.1 40.8 9.8 --- > 14.1 17.0 25.4 9.7 25.8 41.0 8.8 26.1 40.8 9.9 2285c2285 < 16.5 22.5 23.4 19.9 23.0 25.9 20.7 22.8 26.3 19.3 --- > 16.5 22.6 23.4 19.9 23.0 25.9 20.7 22.8 26.3 19.3 2289c2289 < 28.5 23.8 16.3 29.0 23.1 16.0 27.6 23.4 20.1 25.0 --- > 28.5 23.8 16.2 29.0 23.1 16.0 27.6 23.4 20.1 25.0 2311c2311 < 21.8 25.3 47.5 21.9 31.7 41.5 27.7 31.9 40.6 27.9 --- > 21.8 25.4 47.5 21.9 31.7 41.5 27.7 31.9 40.6 27.9 2320,2324c2320,2324 < 30.1 15.5 43.8 28.7 21.6 41.9 36.6 21.2 42.7 36.9 < 22.4 41.8 37.1 30.2 36.5 29.6 29.7 37.3 29.3 29.5 < 35.8 29.6 27.7 41.2 22.8 28.4 41.8 22.6 27.8 40.4 < 22.4 20.9 44.3 37.7 21.7 44.7 37.4 20.4 45.1 38.0 < 27.5 45.8 35.0 27.8 45.3 34.3 26.6 45.4 35.2 22.1 --- > 30.1 15.5 43.8 28.7 21.6 41.9 36.6 21.1 42.7 36.9 > 22.4 41.9 37.1 30.2 36.5 29.6 29.7 37.3 29.3 29.5 > 35.8 29.6 27.7 41.2 22.8 28.4 41.8 22.6 27.9 40.4 > 22.4 20.9 44.3 37.7 21.8 44.7 37.4 20.4 45.1 38.0 > 27.5 45.8 35.0 27.8 45.2 34.3 26.6 45.4 35.2 22.1 2327,2328c2327,2328 < 29.8 47.3 26.1 31.1 47.0 26.9 25.5 39.1 34.2 25.6 < 40.0 34.1 25.8 38.9 35.1 28.2 44.2 32.9 28.3 44.5 --- > 29.8 47.3 26.1 31.1 47.0 26.9 25.4 39.1 34.2 25.6 > 40.0 34.1 25.9 38.9 35.1 28.2 44.2 32.9 28.3 44.5 2332,2333c2332,2333 < 30.6 21.0 42.3 23.6 21.3 42.7 24.5 20.4 41.6 24.0 < 18.8 40.4 37.6 18.3 41.2 37.7 18.5 40.0 36.8 15.0 --- > 30.6 21.0 42.3 23.6 21.3 42.7 24.5 20.4 41.6 23.9 > 18.8 40.4 37.6 18.3 41.2 37.7 18.6 40.1 36.8 15.0 2337c2337 < 47.3 34.4 21.5 46.8 33.9 13.6 40.2 31.2 13.5 41.1 --- > 47.3 34.4 21.5 46.8 34.0 13.6 40.2 31.2 13.5 41.1 2340c2340 < 48.9 23.4 20.3 35.0 39.5 20.4 34.6 40.4 21.0 35.6 --- > 48.9 23.3 20.3 35.0 39.5 20.4 34.6 40.4 21.0 35.6 2346,2347c2346,2347 < 49.9 30.6 18.7 50.3 30.6 25.8 50.3 35.9 26.1 50.4 < 35.0 26.5 49.8 36.3 22.8 47.6 36.4 23.1 46.8 36.6 --- > 49.9 30.5 18.7 50.3 30.7 25.8 50.3 35.9 26.1 50.4 > 35.0 26.5 49.8 36.3 22.8 47.6 36.4 23.1 46.7 36.6 2360c2360 < 20.5 33.8 24.0 20.4 33.4 23.2 20.5 33.2 24.7 22.5 --- > 20.5 33.8 24.0 20.3 33.4 23.2 20.5 33.2 24.7 22.5 2367c2367 < 38.5 26.0 27.4 49.7 26.8 27.6 50.3 26.0 27.4 50.4 --- > 38.5 26.0 27.4 49.7 26.8 27.6 50.3 26.1 27.4 50.4 2373c2373 < 50.5 27.0 23.1 49.9 27.9 26.1 41.7 34.3 26.8 41.7 --- > 50.5 27.0 23.1 49.9 27.9 26.1 41.8 34.3 26.8 41.7 2382c2382 < 48.7 31.0 32.9 47.4 30.9 23.0 38.0 34.1 22.6 38.6 --- > 48.7 30.9 32.9 47.4 30.9 23.0 38.0 34.1 22.6 38.6 2389c2389 < 18.8 27.3 44.2 18.0 27.2 45.5 18.7 18.8 41.5 32.5 --- > 18.8 27.3 44.3 18.0 27.2 45.5 18.7 18.8 41.5 32.5 2391c2391 < 49.0 35.3 30.3 50.4 35.8 18.4 39.0 35.2 17.7 38.9 --- > 49.1 35.3 30.3 50.4 35.8 18.4 39.0 35.2 17.7 38.9 2394c2394 < 47.0 34.4 11.3 43.8 27.1 12.1 44.0 26.6 10.7 44.4 --- > 47.0 34.5 11.3 43.8 27.1 12.1 44.0 26.6 10.7 44.4 2402c2402 < 21.4 38.9 26.6 30.9 42.2 25.2 31.1 43.1 24.9 31.4 --- > 21.4 38.9 26.6 30.9 42.2 25.2 31.2 43.1 24.9 31.4 2407c2407 < 26.1 25.1 51.2 26.7 25.8 52.5 26.4 24.9 52.6 23.5 --- > 26.1 25.1 51.2 26.7 25.7 52.5 26.4 24.9 52.6 23.5 2409c2409 < 42.9 39.7 25.0 43.0 39.5 16.1 49.1 32.0 16.4 48.2 --- > 42.9 39.7 25.0 43.0 39.6 16.1 49.1 32.0 16.4 48.2 2442c2442 < 38.9 38.7 20.1 39.6 38.5 21.0 38.6 37.9 31.6 48.1 --- > 38.9 38.7 20.1 39.6 38.5 21.0 38.6 37.8 31.6 48.1 2446,2448c2446,2448 < 36.0 28.1 41.3 37.2 20.6 40.7 34.5 20.0 40.1 35.0 < 21.1 41.2 35.1 33.2 47.6 35.4 32.9 48.0 36.3 32.5 < 47.1 35.1 33.8 45.3 27.9 34.5 45.8 28.1 34.0 45.1 --- > 36.0 28.1 41.3 37.2 20.6 40.7 34.5 20.1 40.1 35.0 > 21.1 41.2 35.1 33.2 47.6 35.4 33.0 48.0 36.3 32.5 > 47.1 35.2 33.8 45.3 27.9 34.5 45.8 28.1 34.0 45.1 2452c2452 < 21.0 15.9 40.3 20.3 16.2 39.8 21.7 24.2 31.3 28.7 --- > 21.0 15.9 40.4 20.3 16.2 39.8 21.7 24.2 31.3 28.7 2464c2464 < 40.2 23.5 44.8 40.0 20.8 40.6 17.7 20.3 39.8 17.9 --- > 40.2 23.5 44.8 40.0 20.7 40.6 17.7 20.3 39.8 17.9 2476c2476 < 33.2 17.5 45.6 34.7 18.4 45.9 34.8 17.6 44.6 34.5 --- > 33.2 17.5 45.6 34.7 18.4 45.9 34.9 17.6 44.6 34.5 2481c2481 < 44.2 23.2 27.2 42.9 23.8 31.0 39.5 24.4 30.6 39.2 --- > 44.3 23.2 27.3 42.9 23.8 31.0 39.5 24.4 30.6 39.2 2487c2487 < 33.9 19.7 20.3 34.7 20.1 21.0 33.7 19.2 19.0 52.4 --- > 33.9 19.7 20.3 34.7 20.1 21.0 33.8 19.2 19.0 52.4 2490c2490 < 30.6 25.3 25.9 31.2 26.3 17.6 37.3 38.7 18.4 36.8 --- > 30.6 25.3 25.9 31.2 26.3 17.6 37.3 38.7 18.3 36.8 2492c2492 < 36.9 58.6 29.6 35.0 58.4 29.4 34.3 58.4 28.7 35.0 --- > 36.9 58.6 29.6 35.0 58.4 29.4 34.3 58.5 28.7 35.0 2494,2495c2494,2495 < 20.1 37.3 56.2 27.3 37.7 55.4 27.1 38.0 56.9 27.3 < 42.0 55.9 28.0 42.7 55.3 28.0 41.3 55.5 28.5 33.7 --- > 20.1 37.3 56.2 27.3 37.7 55.4 27.1 38.0 56.8 27.3 > 42.0 55.9 28.0 42.7 55.3 28.0 41.3 55.6 28.5 33.7 2511c2511 < 53.0 36.0 35.9 49.4 32.1 35.4 49.9 32.7 36.0 49.9 --- > 53.0 36.0 35.9 49.4 32.1 35.4 49.9 32.7 36.1 49.9 2515c2515 < 28.9 33.1 50.5 28.5 32.4 50.8 29.8 36.5 55.7 23.5 --- > 28.9 33.2 50.5 28.5 32.4 50.8 29.8 36.5 55.7 23.5 2517c2517 < 53.2 26.1 30.4 53.7 27.5 39.0 58.3 27.1 38.9 58.5 --- > 53.2 26.1 30.4 53.8 27.5 39.0 58.3 27.1 38.9 58.5 2522c2522 < 38.5 53.8 26.8 37.8 53.3 27.3 38.6 53.4 26.0 38.5 --- > 38.5 53.8 26.8 37.8 53.3 27.3 38.6 53.3 26.0 38.5 2524c2524 < 27.5 32.9 57.0 27.5 32.2 58.3 27.4 30.1 56.0 25.1 --- > 27.5 32.9 57.0 27.5 32.2 58.3 27.3 30.1 56.0 25.1 2527c2527 < 29.5 28.4 54.4 29.3 27.2 53.8 26.3 27.2 54.5 27.0 --- > 29.5 28.4 54.4 29.3 27.2 53.8 26.3 27.2 54.5 26.9 2543,2544c2543,2544 < 31.1 52.3 35.8 29.9 52.8 35.1 26.3 54.9 24.0 25.6 < 54.2 23.8 26.7 54.7 24.8 29.4 53.6 23.7 28.8 53.8 --- > 31.1 52.4 35.8 29.9 52.8 35.1 26.3 54.9 24.0 25.7 > 54.2 23.8 26.7 54.7 24.8 29.4 53.6 23.7 28.8 53.7 2549c2549 < 29.0 57.6 29.1 29.7 57.8 29.7 28.8 58.4 28.7 31.4 --- > 29.0 57.6 29.1 29.7 57.8 29.7 28.8 58.4 28.6 31.4 2551c2551 < 31.2 32.3 55.0 31.6 31.8 53.6 31.7 31.5 52.2 24.9 --- > 31.2 32.3 55.0 31.5 31.8 53.6 31.7 31.5 52.2 24.9 2570c2570 < 37.2 52.9 24.1 38.6 53.2 23.5 41.3 53.3 26.1 42.0 --- > 37.2 52.9 24.1 38.6 53.2 23.5 41.3 53.3 26.1 42.1 2582,2583c2582,2583 < 19.8 2.8 15.1 13.8 8.3 19.3 14.1 9.2 19.1 12.8 < 8.4 19.4 18.4 2.2 16.1 17.9 2.8 15.5 18.0 2.2 --- > 19.8 2.8 15.1 13.8 8.3 19.3 14.1 9.2 19.2 12.9 > 8.4 19.5 18.4 2.2 16.1 17.9 2.8 15.5 18.0 2.2 2585c2585 < 10.7 3.6 22.8 10.3 4.5 22.6 10.8 3.6 23.7 19.7 --- > 10.7 3.6 22.8 10.4 4.5 22.6 10.8 3.6 23.7 19.7 2597c2597 < 12.9 11.5 23.5 14.0 12.4 22.9 8.9 12.7 18.9 9.3 --- > 12.9 11.5 23.4 14.0 12.4 22.9 8.9 12.7 18.9 9.3 2604c2604 < 12.5 14.7 11.8 12.7 13.8 12.7 12.5 14.9 15.5 2.2 --- > 12.4 14.7 11.7 12.8 13.8 12.7 12.5 14.9 15.5 2.2 2608c2608 < 19.0 13.1 10.7 18.2 20.5 9.2 18.4 20.9 10.1 18.5 --- > 19.0 13.1 10.8 18.2 20.5 9.2 18.4 20.9 10.1 18.5 2610c2610 < 9.1 24.0 14.3 6.3 21.1 14.1 7.0 20.4 13.7 5.6 --- > 9.0 23.9 14.3 6.3 21.1 14.1 7.0 20.4 13.7 5.6 2612c2612 < 11.9 15.1 8.5 12.4 14.5 9.0 11.8 15.9 8.9 13.7 --- > 11.9 15.1 8.4 12.4 14.5 9.0 11.8 15.9 8.9 13.7 2615,2616c2615,2616 < 18.6 11.0 21.8 19.1 12.3 22.4 7.2 17.8 16.1 7.7 < 18.3 16.8 6.3 17.8 16.4 18.2 9.4 20.9 17.6 8.8 --- > 18.6 11.0 21.8 19.1 12.3 22.4 7.2 17.8 16.1 7.6 > 18.2 16.8 6.3 17.8 16.4 18.2 9.4 20.9 17.6 8.8 2619c2619 < 14.5 13.0 22.2 4.9 16.2 22.1 5.8 15.8 21.5 4.4 --- > 14.5 13.1 22.2 4.9 16.2 22.1 5.8 15.8 21.5 4.4 2637,2638c2637,2638 < 16.3 14.8 9.8 11.6 16.4 9.1 11.4 15.8 10.5 11.9 < 15.9 20.4 10.1 24.4 19.9 10.6 23.8 20.3 10.5 25.2 --- > 16.3 14.8 9.8 11.6 16.4 9.1 11.4 15.8 10.5 12.0 > 15.9 20.4 10.1 24.4 19.9 10.7 23.8 20.3 10.5 25.2 2653,2654c2653,2654 < 21.9 7.4 6.8 21.1 22.7 1.6 14.0 23.6 1.4 14.1 < 22.2 0.8 14.0 5.3 14.1 16.4 4.8 13.4 16.2 4.8 --- > 21.9 7.4 6.8 21.1 22.7 1.6 14.0 23.6 1.3 14.1 > 22.2 0.8 14.0 5.3 14.1 16.4 4.7 13.4 16.2 4.8 2659c2659 < 15.8 9.3 14.8 15.7 10.5 14.0 15.2 27.4 21.4 17.5 --- > 15.8 9.3 14.9 15.7 10.5 14.0 15.2 27.4 21.4 17.5 2669,2670c2669,2670 < 26.1 17.6 14.2 26.8 18.9 14.3 25.0 23.1 8.7 24.2 < 22.5 8.6 24.6 23.9 8.5 31.3 18.9 15.0 31.7 18.0 --- > 26.1 17.6 14.2 26.8 19.0 14.3 25.0 23.1 8.7 24.2 > 22.5 8.6 24.6 23.9 8.4 31.3 18.9 15.0 31.8 18.0 2673c2673 < 19.9 11.7 27.7 12.2 19.0 26.9 12.7 19.1 27.5 11.4 --- > 19.8 11.7 27.7 12.2 19.0 26.9 12.7 19.0 27.5 11.4 2675,2676c2675,2676 < 24.4 24.4 19.6 24.7 25.2 19.3 23.5 24.4 19.6 18.0 < 21.0 14.8 17.1 20.8 15.0 18.2 21.8 15.2 28.4 15.7 --- > 24.4 24.4 19.6 24.7 25.2 19.2 23.5 24.4 19.6 18.0 > 21.0 14.8 17.1 20.8 15.0 18.1 21.8 15.2 28.4 15.7 2681,2683c2681,2683 < 22.9 18.6 24.9 30.5 14.8 17.4 29.7 15.0 17.0 30.3 < 14.0 18.0 27.1 18.6 9.2 28.0 18.8 9.1 26.8 18.1 < 8.4 21.0 21.8 21.9 21.7 22.2 22.2 20.3 22.4 21.8 --- > 22.9 18.6 24.9 30.6 14.8 17.4 29.7 15.0 17.0 30.3 > 14.0 18.0 27.1 18.6 9.2 28.1 18.8 9.1 26.8 18.1 > 8.5 21.0 21.8 21.9 21.7 22.3 22.2 20.3 22.4 21.8 2687c2687 < 29.3 24.5 13.1 30.6 24.3 13.9 25.0 15.6 21.4 24.8 --- > 29.3 24.6 13.1 30.6 24.4 13.9 25.0 15.6 21.4 24.8 2693c2693 < 19.3 18.7 25.6 19.9 19.3 25.2 18.5 18.7 25.1 14.8 --- > 19.3 18.7 25.6 19.9 19.3 25.2 18.5 18.8 25.1 14.8 2696,2697c2696,2697 < 16.6 19.1 12.5 17.2 18.9 11.2 21.8 24.8 20.0 22.1 < 25.2 20.8 21.0 24.3 20.2 13.6 17.8 18.4 13.6 18.7 --- > 16.6 19.1 12.5 17.3 18.9 11.2 21.8 24.8 20.0 22.1 > 25.2 20.8 21.0 24.3 20.3 13.6 17.8 18.4 13.6 18.7 2700c2700 < 25.2 9.8 19.5 11.7 26.5 19.3 11.1 27.2 20.3 12.2 --- > 25.2 9.8 19.5 11.7 26.5 19.3 11.0 27.2 20.3 12.1 2705c2705 < 23.7 26.7 23.6 25.2 27.1 23.8 18.5 27.8 18.2 18.8 --- > 23.7 26.7 23.5 25.2 27.1 23.8 18.5 27.8 18.2 18.8 2707,2708c2707,2708 < 22.1 27.7 27.0 22.8 22.3 25.5 22.7 22.7 24.7 22.8 < 21.5 25.5 23.2 25.0 10.1 19.4 24.4 10.6 19.9 25.0 --- > 22.1 27.7 27.1 22.8 22.3 25.5 22.8 22.7 24.7 22.8 > 21.5 25.4 23.2 25.0 10.1 19.4 24.4 10.6 19.9 25.0 2713c2713 < 16.1 21.4 11.7 15.7 20.9 11.9 17.1 29.6 22.1 9.5 --- > 16.1 21.4 11.7 15.7 20.8 11.9 17.1 29.6 22.1 9.5 2715c2715 < 18.4 10.9 25.5 18.0 9.8 23.0 22.8 11.9 22.6 22.1 --- > 18.4 10.9 25.5 18.1 9.8 23.0 22.8 11.9 22.6 22.1 2720,2721c2720,2721 < 19.7 10.4 11.6 19.2 10.0 10.9 19.6 9.8 12.3 23.0 < 22.5 2.6 22.0 22.6 2.6 23.1 21.8 3.2 25.6 29.9 --- > 19.7 10.4 11.6 19.2 10.0 10.9 19.7 9.8 12.3 23.0 > 22.5 2.6 22.0 22.6 2.5 23.1 21.8 3.2 25.6 29.9 2729c2729 < 14.7 19.7 12.2 14.6 19.2 11.4 14.1 19.3 12.8 20.4 --- > 14.7 19.7 12.2 14.7 19.2 11.4 14.1 19.3 12.8 20.4 2739c2739 < 19.4 9.5 15.9 19.1 9.7 16.9 19.3 8.6 16.2 16.1 --- > 19.4 9.5 15.9 19.2 9.7 16.9 19.3 8.6 16.2 16.1 2743c2743 < 22.2 23.6 14.7 22.0 27.9 23.2 24.8 27.9 23.1 23.9 --- > 22.3 23.6 14.7 22.0 27.9 23.2 24.8 27.9 23.1 23.9 2748,2749c2748,2749 < 20.8 20.1 17.6 20.0 20.6 18.7 20.7 19.7 27.2 21.4 < 5.3 26.5 20.7 5.4 26.9 21.9 4.6 20.5 20.3 19.6 --- > 20.8 20.1 17.6 20.0 20.5 18.7 20.7 19.7 27.2 21.4 > 5.3 26.5 20.7 5.4 26.9 21.9 4.6 20.5 20.3 19.5 2757c2757 < 27.5 11.7 22.1 28.2 11.6 23.6 27.9 11.4 24.1 14.3 --- > 27.5 11.7 22.1 28.3 11.6 23.6 27.9 11.4 24.1 14.3 2759c2759 < 33.0 21.3 15.9 32.3 19.9 15.9 23.0 28.9 20.0 23.3 --- > 33.0 21.3 15.8 32.3 19.9 15.9 23.0 28.9 20.0 23.3 2763c2763 < 19.6 13.4 18.7 26.3 20.4 19.4 26.7 20.8 18.5 26.8 --- > 19.6 13.4 18.7 26.3 20.4 19.4 26.7 20.8 18.5 26.9 2774c2774 < 17.3 16.0 24.7 17.6 15.4 25.4 16.3 16.0 24.9 27.8 --- > 17.3 16.0 24.7 17.6 15.4 25.4 16.3 16.0 24.8 27.8 2776c2776 < 9.9 14.8 17.4 9.6 13.4 18.0 9.9 25.0 29.4 17.0 --- > 9.9 14.8 17.4 9.7 13.4 18.0 9.9 25.0 29.4 17.0 2778c2778 < 17.4 16.3 17.6 17.5 16.4 27.4 27.4 17.8 26.5 27.2 --- > 17.4 16.3 17.6 17.5 16.3 27.4 27.4 17.8 26.5 27.2 2780,2781c2780,2781 < 19.6 14.5 22.4 15.3 15.8 8.9 14.7 15.1 9.2 16.1 < 15.6 9.4 24.9 27.4 15.0 24.6 26.5 15.3 25.7 27.2 --- > 19.6 14.5 22.4 15.3 15.8 8.9 14.7 15.1 9.1 16.1 > 15.6 9.4 24.9 27.4 15.0 24.6 26.5 15.4 25.7 27.2 2789c2789 < 20.9 15.2 16.7 22.0 15.8 18.1 22.0 16.6 18.5 21.4 --- > 20.9 15.1 16.8 22.0 15.8 18.1 22.0 16.6 18.5 21.4 2800c2800 < 14.4 20.1 26.7 16.0 19.8 26.0 15.4 20.9 27.1 15.5 --- > 14.4 20.1 26.7 16.0 19.8 26.0 15.4 20.9 27.0 15.6 2804c2804 < 31.2 22.8 23.0 31.0 22.1 21.6 19.7 25.2 9.3 19.8 --- > 31.2 22.8 23.0 31.0 22.1 21.7 19.7 25.2 9.3 19.8 2807c2807 < 21.8 17.5 22.9 33.0 24.9 22.9 32.5 25.3 23.7 32.3 --- > 21.8 17.5 22.9 33.0 24.9 22.9 32.4 25.2 23.7 32.3 2809c2809 < 13.8 30.4 20.6 21.0 30.8 20.3 20.2 29.5 20.8 20.8 --- > 13.8 30.4 20.6 21.0 30.8 20.3 20.3 29.5 20.8 20.8 2814c2814 < 27.7 6.9 23.2 28.5 7.7 28.5 17.4 18.4 29.4 17.7 --- > 27.7 7.0 23.2 28.5 7.7 28.5 17.4 18.4 29.4 17.7 2833,2834c2833,2834 < 14.1 14.5 23.8 15.1 16.6 24.4 19.5 17.5 24.9 19.6 < 16.6 23.8 20.2 17.1 22.8 21.7 18.0 23.2 21.9 17.3 --- > 14.1 14.5 23.8 15.1 16.6 24.4 19.5 17.5 24.8 19.6 > 16.6 23.8 20.2 17.1 22.8 21.7 18.0 23.1 21.9 17.3 2837c2837 < 32.3 16.3 15.2 32.9 16.3 14.4 32.6 15.7 15.7 15.8 --- > 32.3 16.3 15.2 32.9 16.3 14.4 32.7 15.7 15.7 15.8 2843c2843 < 17.5 29.6 15.5 27.6 24.8 7.0 28.3 24.3 6.9 27.4 --- > 17.5 29.6 15.5 27.6 24.8 7.0 28.3 24.2 6.9 27.4 2845c2845 < 8.2 11.0 18.2 21.2 11.6 18.4 21.9 10.3 17.7 21.6 --- > 8.3 11.0 18.2 21.2 11.6 18.4 21.9 10.3 17.7 21.6 2847,2848c2847,2848 < 11.0 8.2 19.8 11.9 8.5 20.4 10.7 7.9 19.1 30.4 < 19.0 20.0 30.3 18.8 18.7 29.5 18.9 21.2 29.7 15.4 --- > 11.0 8.2 19.8 11.9 8.5 20.5 10.7 7.9 19.1 30.4 > 19.0 20.0 30.3 18.8 18.7 29.5 18.8 21.2 29.7 15.4 2858c2858 < 30.3 40.6 21.6 30.8 39.6 22.6 30.5 36.5 17.5 31.4 --- > 30.3 40.6 21.6 30.8 39.6 22.6 30.5 36.5 17.5 31.3 2868c2868 < 35.3 15.6 29.8 35.6 16.1 40.3 32.5 15.7 40.1 33.2 --- > 35.3 15.6 29.8 35.7 16.1 40.3 32.5 15.7 40.1 33.2 2870c2870 < 32.2 34.3 7.6 26.8 35.7 16.1 26.8 36.0 17.1 26.4 --- > 32.2 34.3 7.6 26.8 35.8 16.1 26.8 36.0 17.1 26.4 2873c2873 < 41.7 30.3 16.9 41.2 31.0 16.3 41.0 29.6 17.1 37.5 --- > 41.7 30.3 16.9 41.3 31.0 16.3 41.0 29.6 17.1 37.5 2875c2875 < 23.8 32.0 36.8 23.6 30.8 37.7 23.9 37.9 38.2 21.7 --- > 23.8 32.0 36.8 23.5 30.8 37.7 23.8 37.9 38.2 21.7 2884c2884 < 10.4 31.7 35.2 11.2 31.0 34.0 10.8 30.4 33.1 25.1 --- > 10.4 31.7 35.2 11.2 31.0 33.9 10.8 30.4 33.1 25.1 2887c2887 < 18.0 39.7 40.1 19.2 27.6 33.7 12.4 26.8 34.0 12.7 --- > 18.0 39.6 40.1 19.2 27.6 33.7 12.4 26.8 34.0 12.7 2895,2896c2895,2896 < 33.2 21.0 26.2 33.9 21.4 34.5 42.0 23.8 34.3 41.1 < 23.7 35.2 42.1 23.2 30.1 44.4 19.9 30.7 44.3 19.3 --- > 33.2 21.0 26.2 33.9 21.4 34.5 42.0 23.8 34.2 41.1 > 23.7 35.2 42.1 23.2 30.1 44.4 19.9 30.7 44.3 19.2 2898c2898 < 42.6 21.3 33.6 39.5 23.3 33.9 38.7 23.3 32.8 39.5 --- > 42.6 21.3 33.6 39.5 23.3 33.9 38.6 23.3 32.8 39.5 2901c2901 < 35.0 8.3 35.0 35.8 8.7 34.4 34.5 8.3 33.2 30.0 --- > 35.0 8.3 35.0 35.8 8.7 34.4 34.5 8.2 33.2 30.0 2904c2904 < 26.8 15.6 32.0 27.3 17.0 40.4 37.5 9.1 39.5 37.7 --- > 26.8 15.6 32.0 27.3 17.0 40.4 37.5 9.1 39.5 37.6 2917c2917 < 12.5 37.8 42.1 13.7 37.7 42.5 12.9 38.5 42.6 14.2 --- > 12.5 37.8 42.1 13.7 37.6 42.5 12.9 38.5 42.6 14.2 2923c2923 < 13.2 33.4 42.3 14.3 35.4 33.7 20.1 35.2 34.6 20.3 --- > 13.3 33.4 42.3 14.3 35.4 33.7 20.1 35.2 34.6 20.3 2926c2926 < 17.6 42.0 38.6 15.3 42.1 39.0 16.2 42.9 38.4 15.1 --- > 17.6 42.0 38.6 15.3 42.1 39.0 16.2 42.9 38.4 15.0 2928c2928 < 41.4 18.4 35.5 42.1 18.9 35.1 41.0 18.1 27.2 34.6 --- > 41.4 18.4 35.5 42.1 18.9 35.1 41.0 18.0 27.2 34.6 2933c2933 < 34.7 30.2 21.3 38.1 38.7 24.3 38.0 38.3 23.5 38.1 --- > 34.7 30.2 21.3 38.1 38.7 24.3 38.0 38.3 23.5 38.0 2941,2942c2941,2942 < 22.0 40.6 42.5 22.4 29.6 31.5 22.3 29.0 31.7 23.1 < 29.1 31.6 21.6 28.7 47.6 17.2 28.8 48.4 17.7 27.9 --- > 22.0 40.6 42.5 22.4 29.6 31.5 22.4 29.0 31.7 23.1 > 29.1 31.6 21.5 28.7 47.6 17.2 28.8 48.4 17.7 27.9 2950c2950 < 15.7 43.6 34.8 15.7 34.4 43.5 19.8 35.1 44.2 19.7 --- > 15.7 43.7 34.8 15.7 34.4 43.5 19.8 35.1 44.2 19.7 2953c2953 < 13.5 41.3 34.6 12.5 41.6 35.4 12.0 42.0 34.5 13.2 --- > 13.5 41.3 34.5 12.5 41.6 35.4 12.0 42.0 34.5 13.2 2958c2958 < 43.7 13.7 35.8 44.9 13.2 36.5 44.8 9.4 36.7 44.5 --- > 43.7 13.7 35.8 44.9 13.2 36.5 44.8 9.5 36.7 44.5 2965c2965 < 24.3 27.5 33.3 24.1 27.1 31.9 24.5 37.8 41.3 23.7 --- > 24.3 27.5 33.3 24.0 27.1 31.9 24.5 37.8 41.3 23.7 2969c2969 < 27.7 31.4 15.7 38.2 42.2 17.4 37.4 41.8 17.7 38.9 --- > 27.7 31.4 15.6 38.2 42.2 17.4 37.4 41.8 17.7 38.9 2971c2971 < 22.2 26.2 31.2 9.9 25.7 30.4 10.2 27.1 31.0 10.1 --- > 22.1 26.2 31.2 9.9 25.7 30.4 10.2 27.1 31.0 10.1 2973c2973 < 30.8 10.4 29.3 30.9 9.5 29.3 31.3 11.0 39.9 42.9 --- > 30.8 10.4 29.3 30.9 9.6 29.3 31.3 11.0 39.9 42.9 2988c2988 < 43.1 21.2 33.6 46.5 14.5 33.0 46.1 15.0 34.0 45.9 --- > 43.1 21.2 33.6 46.5 14.5 33.0 46.0 15.0 34.0 45.9 2998c2998 < 21.9 44.5 37.8 14.7 45.5 38.0 14.9 44.5 37.5 13.8 --- > 22.0 44.5 37.8 14.7 45.5 38.0 14.9 44.5 37.5 13.8 3000c3000 < 36.9 10.9 27.8 36.1 10.5 28.7 37.4 10.1 34.5 27.6 --- > 36.9 10.9 27.8 36.2 10.5 28.7 37.4 10.1 34.5 27.6 3008,3009c3008,3009 < 34.4 34.5 4.8 34.8 33.8 5.3 33.5 34.1 4.7 42.6 < 32.5 18.3 42.3 31.6 17.9 43.4 32.3 18.7 40.1 26.3 --- > 34.4 34.5 4.8 34.8 33.8 5.3 33.5 34.1 4.6 42.6 > 32.5 18.3 42.4 31.6 17.9 43.4 32.3 18.7 40.1 26.3 3013c3013 < 26.4 34.0 37.1 26.2 31.9 33.2 4.6 31.5 32.4 5.0 --- > 26.4 34.0 37.1 26.1 31.9 33.2 4.6 31.5 32.4 5.0 3028c3028 < 14.7 44.8 30.9 14.0 44.4 30.9 15.5 26.8 44.1 16.1 --- > 14.7 44.8 30.9 14.0 44.4 30.9 15.4 26.8 44.1 16.1 3032,3033c3032,3033 < 45.9 33.9 13.0 29.2 45.3 15.7 29.1 46.2 16.1 28.4 < 44.9 15.9 38.2 39.6 4.7 39.2 39.7 4.6 37.8 40.4 --- > 45.9 33.9 13.0 29.2 45.3 15.7 29.1 46.2 16.0 28.4 > 44.9 15.9 38.2 39.6 4.7 39.2 39.7 4.6 37.9 40.4 3041c3041 < 47.1 52.1 15.4 44.4 51.5 16.8 44.1 50.9 16.2 45.3 --- > 47.1 52.1 15.4 44.3 51.5 16.8 44.1 50.9 16.2 45.3 3047c3047 < 39.6 50.7 15.5 40.7 51.7 15.1 48.8 45.4 17.2 47.9 --- > 39.6 50.7 15.4 40.7 51.7 15.1 48.8 45.4 17.2 47.9 3049,3050c3049,3050 < 17.0 37.3 51.7 15.9 44.0 47.6 24.1 44.2 48.4 24.6 < 44.6 46.9 24.5 51.0 44.6 18.7 50.3 45.0 18.2 50.6 --- > 17.0 37.3 51.8 15.9 44.0 47.6 24.1 44.2 48.4 24.6 > 44.6 46.9 24.4 51.0 44.6 18.7 50.3 45.0 18.2 50.6 3055,3056c3055,3056 < 17.3 45.4 45.1 17.7 46.0 44.6 16.4 41.0 53.5 15.6 < 41.6 54.0 15.2 41.4 53.3 16.5 41.2 48.4 24.8 40.4 --- > 17.3 45.4 45.1 17.6 46.0 44.6 16.4 41.0 53.5 15.6 > 41.7 54.0 15.2 41.4 53.3 16.5 41.2 48.4 24.8 40.4 3062c3062 < 43.2 44.3 23.7 43.8 43.8 24.3 43.8 44.6 23.0 38.4 --- > 43.2 44.3 23.7 43.9 43.8 24.3 43.8 44.6 23.0 38.4 3073c3073 < 12.0 34.8 50.0 11.4 35.3 50.0 12.8 43.1 49.9 15.0 --- > 12.0 34.8 50.0 11.4 35.2 50.0 12.8 43.1 49.9 15.0 3077,3078c3077,3078 < 39.3 45.8 16.9 37.4 45.6 13.2 37.6 45.9 14.0 38.3 < 45.3 12.9 38.7 45.7 19.9 39.2 45.8 19.1 37.8 45.9 --- > 39.3 45.8 16.9 37.4 45.6 13.2 37.5 45.9 14.0 38.3 > 45.3 12.9 38.6 45.7 19.9 39.2 45.8 19.1 37.8 45.9 3091c3091 < 19.6 36.6 54.5 19.3 35.7 55.7 19.8 31.1 48.8 16.5 --- > 19.6 36.5 54.6 19.3 35.7 55.7 19.8 31.1 48.8 16.5 3098c3098 < 41.9 44.3 19.3 41.7 44.1 20.2 41.1 44.7 18.9 43.2 --- > 41.9 44.3 19.3 41.7 44.1 20.2 41.1 44.7 19.0 43.2 3102c3102 < 46.6 18.5 43.4 45.3 18.9 35.3 50.7 18.9 34.8 51.1 --- > 46.6 18.4 43.4 45.3 18.9 35.3 50.7 18.9 34.8 51.1 3114c3114 < 47.2 18.9 50.9 41.5 14.9 50.2 42.0 15.2 51.4 42.1 --- > 47.2 19.0 50.9 41.5 14.9 50.2 42.0 15.2 51.4 42.1 3116c3116 < 34.8 48.9 14.2 34.4 48.0 14.1 34.0 49.4 14.4 37.8 --- > 34.8 48.9 14.2 34.5 48.0 14.1 34.0 49.4 14.4 37.8 3125,3127c3125,3127 < 39.6 53.3 21.9 40.3 53.6 21.4 39.4 52.5 21.4 33.3 < 48.5 20.8 34.3 48.4 20.7 33.3 48.7 21.8 46.9 38.1 < 12.0 46.1 37.6 12.0 47.1 38.1 12.9 39.2 45.9 26.4 --- > 39.6 53.3 21.9 40.3 53.6 21.4 39.3 52.5 21.4 33.3 > 48.5 20.8 34.3 48.4 20.7 33.3 48.6 21.8 46.9 38.1 > 12.0 46.1 37.5 12.0 47.1 38.1 12.9 39.2 45.9 26.4 3133c3133 < 4.2 33.9 13.4 6.1 33.9 12.5 6.3 34.5 13.5 5.4 --- > 4.2 33.9 13.4 6.1 33.9 12.5 6.3 34.6 13.5 5.4 3136c3136 < 6.6 32.3 14.4 6.3 31.2 14.0 7.2 35.1 17.0 6.3 --- > 6.6 32.3 14.4 6.3 31.2 14.1 7.2 35.1 17.0 6.3 3144c3144 < 13.4 6.8 38.9 13.9 5.9 38.2 12.8 6.7 29.1 15.8 --- > 13.4 6.8 38.8 13.9 5.9 38.2 12.8 6.7 29.1 15.8 3152c3152 < 29.8 20.8 6.0 30.2 20.4 5.3 28.9 21.0 5.8 35.6 --- > 29.8 20.8 6.0 30.2 20.4 5.2 28.9 21.0 5.8 35.6 3158c3158 < 32.9 20.2 1.4 36.1 10.6 8.6 36.7 10.8 9.2 36.4 --- > 32.9 20.2 1.4 36.1 10.5 8.6 36.7 10.8 9.2 36.4 3164c3164 < 35.3 15.7 7.5 34.8 14.3 7.3 32.7 18.6 4.8 32.6 --- > 35.2 15.7 7.5 34.8 14.3 7.3 32.7 18.6 4.8 32.6 3184c3184 < 9.8 36.8 19.1 9.5 35.6 21.7 3.5 35.2 21.3 2.7 --- > 9.8 36.8 19.1 9.5 35.6 21.7 3.5 35.3 21.3 2.7 3188c3188 < 38.7 20.6 1.6 39.7 20.6 1.7 38.5 20.5 2.5 29.7 --- > 38.7 20.6 1.6 39.7 20.6 1.7 38.4 20.5 2.5 29.7 3194,3195c3194,3195 < 32.5 20.7 8.1 32.3 24.5 0.5 31.9 24.0 1.2 32.9 < 23.9 0.1 30.4 19.7 3.6 29.5 19.4 3.3 30.9 19.9 --- > 32.5 20.6 8.1 32.3 24.5 0.5 31.9 24.0 1.2 32.9 > 23.9 0.1 30.4 19.7 3.6 29.5 19.5 3.3 30.9 20.0 3202c3202 < 6.7 40.5 13.2 7.3 33.7 5.4 6.0 34.5 5.9 5.8 --- > 6.7 40.5 13.2 7.3 33.7 5.4 6.0 34.5 5.9 5.7 3208c3208 < 14.7 30.2 10.4 14.6 31.1 9.4 14.0 29.8 13.3 12.8 --- > 14.7 30.1 10.4 14.6 31.1 9.4 14.0 29.8 13.3 12.8 3211c3211 < 9.0 27.5 14.3 8.6 26.1 22.4 3.1 25.2 22.2 2.9 --- > 9.1 27.5 14.3 8.6 26.1 22.4 3.1 25.2 22.2 2.9 3218c3218 < 47.2 28.4 1.8 47.0 29.9 1.8 44.0 28.9 2.2 43.7 --- > 47.2 28.4 1.8 46.9 29.9 1.7 44.0 28.9 2.2 43.7 3224c3224 < 39.9 27.2 1.6 39.0 27.3 1.8 40.4 27.9 2.0 37.4 --- > 39.9 27.2 1.6 39.0 27.3 1.8 40.3 27.9 2.0 37.4 3231c3231 < 29.6 7.5 45.5 24.1 3.9 44.5 23.9 3.9 45.6 24.7 --- > 29.6 7.6 45.5 24.1 3.9 44.5 23.9 3.9 45.6 24.7 3264c3264 < 24.4 -0.0 42.4 24.5 -1.4 39.8 34.0 8.0 40.6 33.5 --- > 24.4 -0.0 42.4 24.6 -1.4 39.8 34.0 8.0 40.6 33.5 3266c3266 < 49.1 27.4 7.4 45.2 27.1 12.2 45.1 26.7 13.1 45.9 --- > 49.1 27.5 7.4 45.2 27.1 12.2 45.1 26.7 13.1 45.9 3268c3268 < 7.1 31.2 26.2 3.9 31.8 25.6 4.3 30.4 25.6 3.7 --- > 7.1 31.2 26.2 3.9 31.8 25.6 4.3 30.5 25.6 3.7 3272c3272 < 34.1 24.6 -3.9 33.0 25.5 -3.7 37.3 23.7 2.6 36.6 --- > 34.1 24.6 -3.8 33.0 25.5 -3.7 37.3 23.7 2.6 36.6 3277c3277 < 4.7 39.4 24.5 1.2 40.3 24.2 1.3 39.5 25.4 1.4 --- > 4.7 39.4 24.5 1.2 40.3 24.2 1.3 39.4 25.4 1.4 3280,3281c3280,3281 < 5.7 34.7 28.2 5.0 36.1 27.8 5.4 35.9 26.6 8.2 < 35.1 26.7 8.9 35.5 27.1 7.5 42.3 32.9 8.2 42.9 --- > 5.7 34.8 28.2 5.0 36.2 27.8 5.4 35.9 26.6 8.2 > 35.1 26.6 8.9 35.5 27.1 7.5 42.3 32.9 8.2 42.9 3284c3284 < 42.5 23.2 11.5 52.8 31.9 11.9 52.5 32.5 11.2 52.7 --- > 42.5 23.2 11.5 52.8 31.9 11.8 52.6 32.5 11.2 52.7 3289c3289 < 8.4 53.8 26.7 8.8 53.0 26.7 7.4 44.5 20.7 5.8 --- > 8.4 53.8 26.7 8.8 53.0 26.7 7.5 44.5 20.7 5.8 3295c3295 < 5.8 42.5 25.1 14.7 41.7 25.6 14.6 42.6 24.5 13.9 --- > 5.8 42.5 25.1 14.7 41.7 25.7 14.5 42.6 24.5 13.9 3298,3299c3298,3299 < 2.7 35.6 31.3 2.5 36.8 30.8 3.3 38.1 32.3 6.8 < 38.7 32.9 7.3 38.0 31.5 7.5 38.5 30.2 8.6 39.4 --- > 2.7 35.6 31.2 2.6 36.8 30.8 3.3 38.1 32.3 6.8 > 38.7 32.9 7.3 38.0 31.5 7.5 38.5 30.2 8.6 39.3 3301c3301 < 7.9 33.5 25.2 8.8 48.0 31.6 14.8 48.1 31.2 14.0 --- > 7.9 33.5 25.2 8.7 48.0 31.6 14.8 48.1 31.2 14.0 3304c3304 < 14.1 53.6 38.9 11.1 53.7 39.6 10.4 54.4 38.4 11.0 --- > 14.1 53.6 38.9 11.1 53.6 39.6 10.4 54.4 38.4 11.0 3325c3325 < 20.4 3.3 37.2 19.7 2.4 38.0 20.5 4.9 33.4 13.4 --- > 20.4 3.3 37.1 19.7 2.4 38.0 20.5 4.9 33.4 13.4 3328,3329c3328,3329 < 19.6 6.2 26.0 19.8 4.0 38.1 16.5 3.9 38.9 17.0 < 3.8 37.4 17.1 7.3 31.6 16.0 6.4 31.4 15.8 7.2 --- > 19.5 6.2 26.0 19.8 4.0 38.1 16.5 3.9 38.9 17.0 > 3.9 37.4 17.1 7.3 31.6 16.0 6.4 31.4 15.8 7.2 3338c3338 < 4.1 28.8 16.1 7.9 38.7 18.0 8.7 38.9 17.7 7.8 --- > 4.1 28.8 16.1 7.9 38.7 18.0 8.7 39.0 17.7 7.8 3341,3342c3341,3342 < 3.0 42.4 22.3 3.2 42.3 21.4 3.8 42.1 22.8 3.2 < 24.7 19.7 2.7 25.3 20.2 3.2 25.1 18.8 3.2 26.3 --- > 3.0 42.4 22.3 3.3 42.3 21.4 3.8 42.1 22.8 3.2 > 24.7 19.7 2.7 25.2 20.2 3.2 25.1 18.8 3.2 26.3 3351c3351 < 42.0 13.3 5.6 42.6 12.5 5.9 42.5 13.9 6.8 22.5 --- > 42.0 13.3 5.5 42.6 12.5 5.9 42.5 13.9 6.8 22.5 3360c3360 < 38.6 14.1 3.2 38.4 14.9 1.9 38.3 14.1 8.1 41.4 --- > 38.6 14.1 3.2 38.4 14.9 1.9 38.3 14.2 8.1 41.4 3363c3363 < 28.0 13.8 3.4 28.1 14.5 12.6 34.9 15.4 12.5 35.8 --- > 28.1 13.8 3.4 28.1 14.5 12.6 34.9 15.4 12.5 35.8 3366,3369c3366,3369 < 37.4 11.7 9.8 35.1 12.1 10.2 35.8 11.6 9.5 35.6 < 12.9 6.7 41.0 10.1 6.8 40.6 10.9 6.4 41.8 10.2 < 6.8 28.0 17.0 6.0 28.4 16.9 6.8 27.4 17.8 5.5 < 34.3 18.6 5.7 34.5 17.6 6.1 33.6 18.7 1.6 34.9 --- > 37.4 11.7 9.8 35.1 12.1 10.2 35.8 11.6 9.6 35.6 > 13.0 6.7 41.0 10.1 6.8 40.6 10.9 6.4 41.8 10.2 > 6.8 28.0 17.0 5.9 28.4 16.9 6.8 27.4 17.7 5.5 > 34.3 18.6 5.7 34.6 17.6 6.1 33.6 18.7 1.6 34.9 3371c3371 < 6.2 41.4 22.7 6.0 42.2 24.1 3.9 43.6 16.2 3.6 --- > 6.2 41.4 22.7 6.0 42.2 24.0 3.9 43.6 16.2 3.6 3379c3379 < 12.2 13.2 36.2 11.9 12.2 37.3 11.8 9.2 41.0 8.9 --- > 12.2 13.2 36.1 11.9 12.2 37.3 11.8 9.2 41.0 8.9 3385c3385 < 22.0 12.8 37.7 14.8 13.7 37.7 15.0 12.7 37.4 13.9 --- > 22.0 12.8 37.7 14.8 13.7 37.7 15.0 12.7 37.3 13.9 3388c3388 < 15.6 5.7 22.4 16.3 5.7 22.8 14.9 7.4 32.3 18.7 --- > 15.6 5.6 22.4 16.3 5.7 22.8 14.9 7.4 32.3 18.7 3392c3392 < 10.9 31.5 18.8 7.7 26.9 14.7 7.4 27.4 15.4 8.1 --- > 10.9 31.5 18.8 7.7 26.9 14.7 7.4 27.5 15.4 8.1 3394c3394 < 16.8 14.0 34.0 17.5 13.5 34.1 16.7 13.6 34.4 18.2 --- > 16.8 14.1 34.0 17.5 13.5 34.1 16.7 13.6 34.4 18.2 3396c3396 < 25.5 12.7 4.0 25.7 12.8 3.0 25.0 11.9 6.8 27.3 --- > 25.5 12.7 4.0 25.7 12.8 3.0 24.9 11.9 6.8 27.3 3410c3410 < 19.9 48.2 15.2 11.6 51.6 12.0 11.4 50.8 12.6 12.5 --- > 19.9 48.2 15.2 11.6 51.6 12.0 11.5 50.8 12.6 12.5 3413c3413 < 10.7 48.1 23.4 10.0 48.0 24.0 11.5 48.1 24.0 19.8 --- > 10.7 48.1 23.4 10.0 47.9 24.0 11.5 48.1 24.0 19.8 3416c3416 < 12.5 48.4 19.4 11.1 47.9 19.7 14.5 46.3 21.2 14.2 --- > 12.4 48.4 19.4 11.1 47.9 19.7 14.5 46.3 21.2 14.2 3419c3419 < 13.9 44.8 16.1 8.2 47.5 24.5 7.6 46.8 24.3 7.8 --- > 13.9 44.8 16.1 8.2 47.5 24.5 7.6 46.8 24.2 7.8 3422c3422 < 11.1 44.6 23.9 11.9 44.7 24.5 11.5 44.7 23.0 14.4 --- > 11.1 44.6 23.9 11.9 44.6 24.5 11.5 44.7 23.0 14.4 3424c3424 < 11.9 11.9 45.2 11.4 13.3 45.9 11.3 14.2 41.8 17.1 --- > 11.9 11.9 45.2 11.4 13.3 46.0 11.3 14.2 41.8 17.1 3432c3432 < 50.3 15.3 12.4 50.2 15.0 13.8 49.9 14.6 14.4 51.5 --- > 50.3 15.3 12.4 50.3 15.0 13.8 49.9 14.6 14.4 51.5 3435c3435 < 37.9 14.5 18.0 39.4 14.8 11.1 49.6 13.9 11.2 48.6 --- > 37.9 14.5 18.0 39.4 14.8 11.1 49.6 13.8 11.2 48.6 3437c3437 < 9.4 47.4 12.7 14.1 48.7 20.0 14.1 49.7 20.1 15.0 --- > 9.4 47.4 12.8 14.1 48.7 20.0 14.1 49.7 20.1 15.0 3440c3440 < 20.6 53.3 16.5 20.9 53.4 17.4 21.3 52.9 16.0 7.1 --- > 20.6 53.3 16.5 20.9 53.4 17.4 21.3 52.8 16.0 7.1 3445,3446c3445,3446 < 18.1 10.0 50.8 18.3 7.9 46.0 21.4 7.1 45.9 22.1 < 7.4 45.9 20.6 4.5 44.9 18.4 4.3 44.5 17.6 3.8 --- > 18.1 10.1 50.8 18.3 7.9 46.0 21.4 7.1 45.9 22.1 > 7.5 45.9 20.6 4.5 44.9 18.4 4.3 44.5 17.6 3.8 3448,3449c3448,3449 < 13.5 23.0 49.7 16.2 23.0 50.6 16.0 22.2 49.4 15.9 < 10.9 46.9 13.4 10.7 46.4 14.2 11.5 46.4 12.9 20.4 --- > 13.5 23.0 49.7 16.2 23.0 50.6 15.9 22.2 49.4 15.9 > 10.9 46.9 13.4 10.7 46.5 14.2 11.5 46.4 12.9 20.4 3451c3451 < 16.4 15.9 41.9 16.7 17.3 42.4 17.3 16.5 48.4 18.9 --- > 16.4 15.9 41.9 16.7 17.2 42.4 17.3 16.5 48.4 18.9 3455,3456c3455,3456 < 5.9 45.5 24.4 7.5 47.4 14.8 7.7 47.5 13.8 7.9 < 48.3 15.1 9.3 43.8 22.0 9.9 43.9 22.8 8.8 44.6 --- > 5.8 45.5 24.4 7.5 47.4 14.8 7.7 47.5 13.8 7.9 > 48.2 15.2 9.3 43.8 22.0 9.9 43.9 22.8 8.8 44.6 3460c3460 < 15.3 9.3 49.8 16.2 8.4 50.7 15.3 10.5 45.2 15.4 --- > 15.3 9.3 49.8 16.1 8.4 50.7 15.3 10.5 45.2 15.4 3464c3464 < 12.8 39.6 15.3 22.8 52.0 12.8 23.1 51.1 12.7 22.1 --- > 12.8 39.6 15.3 22.8 52.0 12.8 23.2 51.1 12.7 22.1 3475c3475 < 18.5 21.1 47.7 18.8 20.9 47.1 18.0 21.9 47.4 19.1 --- > 18.5 21.1 47.7 18.8 20.9 47.1 18.1 21.9 47.4 19.1 3487,3488c3487,3488 < 11.2 20.1 46.4 11.9 20.4 47.9 11.5 24.9 48.6 14.6 < 24.2 48.7 15.3 24.5 48.8 13.8 16.6 54.5 9.7 16.2 --- > 11.2 20.2 46.4 11.9 20.4 47.9 11.5 24.9 48.6 14.6 > 24.2 48.7 15.2 24.5 48.8 13.8 16.6 54.5 9.7 16.2 3493,3495c3493,3495 < 17.2 28.3 53.4 15.2 28.7 52.8 14.6 28.7 54.3 14.9 < 25.8 52.7 15.6 26.1 51.9 16.1 26.5 53.2 15.4 29.2 < 55.9 14.4 28.8 56.3 13.6 29.0 56.4 15.1 25.5 52.5 --- > 17.2 28.3 53.4 15.2 28.7 52.8 14.6 28.7 54.3 15.0 > 25.8 52.7 15.6 26.1 51.9 16.1 26.5 53.3 15.4 29.2 > 55.9 14.4 28.8 56.3 13.7 29.0 56.4 15.2 25.5 52.5 3517c3517 < 4.8 9.7 30.3 5.9 8.8 25.5 11.1 8.2 26.2 11.0 --- > 4.8 9.7 30.4 5.9 8.8 25.5 11.1 8.2 26.2 11.0 3519c3519 < 32.2 6.8 12.0 32.1 7.7 12.4 32.4 8.5 11.1 32.0 --- > 32.2 6.7 12.0 32.1 7.7 12.4 32.4 8.5 11.1 32.0 3522c3522 < 22.1 11.7 12.0 22.2 12.0 11.3 22.2 10.7 5.7 26.6 --- > 22.1 11.7 12.0 22.2 12.1 11.3 22.2 10.7 5.7 26.6 3529c3529 < 1.9 16.7 33.2 1.5 16.5 33.6 0.6 17.3 33.8 1.8 --- > 2.0 16.7 33.2 1.5 16.5 33.6 0.6 17.3 33.8 1.8 3534c3534 < 32.8 5.8 21.9 31.7 6.7 11.9 22.0 9.0 11.6 22.9 --- > 32.8 5.7 21.9 31.7 6.7 11.9 22.0 9.0 11.6 22.9 3540c3540 < 28.1 8.7 10.4 27.4 9.0 9.7 28.7 9.5 18.6 34.2 --- > 28.1 8.7 10.4 27.4 9.0 9.6 28.7 9.5 18.6 34.2 3556c3556 < 3.5 8.7 21.5 7.7 9.6 21.3 7.3 8.1 21.0 7.2 --- > 3.5 8.7 21.5 7.7 9.6 21.3 7.3 8.1 20.9 7.2 3560c3560 < 23.6 28.4 0.5 22.5 29.4 -0.0 3.2 27.6 7.6 3.4 --- > 23.5 28.4 0.5 22.5 29.4 -0.0 3.2 27.6 7.6 3.5 3582,3583c3582,3583 < 29.9 8.2 22.8 24.5 0.8 22.7 24.1 -0.0 22.9 23.8 < 1.4 24.1 26.8 1.4 23.6 27.1 2.2 23.6 26.0 1.1 --- > 29.9 8.2 22.8 24.5 0.8 22.7 24.1 -0.0 22.8 23.8 > 1.4 24.1 26.8 1.4 23.6 27.1 2.2 23.7 26.0 1.1 3585c3585 < 31.0 13.5 15.4 30.7 13.0 14.6 31.9 13.5 9.8 37.0 --- > 31.0 13.5 15.5 30.7 13.0 14.6 31.9 13.5 9.8 37.0 3590c3590 < 23.8 42.9 9.7 20.5 47.1 8.5 20.5 48.0 8.3 20.5 --- > 23.7 42.9 9.7 20.5 47.1 8.5 20.5 48.0 8.3 20.5 3593c3593 < 25.0 45.6 5.6 25.3 45.9 4.8 24.5 46.3 5.9 17.5 --- > 25.0 45.6 5.6 25.3 45.9 4.8 24.5 46.4 5.9 17.5 3599,3601c3599,3601 < 25.5 44.8 9.7 23.5 40.1 6.6 24.3 40.5 6.9 22.9 < 40.0 7.3 25.7 38.2 8.3 25.7 39.1 7.9 25.8 38.3 < 9.2 26.9 44.1 7.0 26.3 44.7 6.5 27.1 43.5 6.4 --- > 25.5 44.8 9.8 23.5 40.1 6.6 24.3 40.5 6.9 22.9 > 40.0 7.3 25.7 38.2 8.2 25.7 39.1 7.9 25.8 38.3 > 9.2 26.9 44.1 7.0 26.3 44.8 6.5 27.1 43.5 6.4 3603c3603 < 43.9 1.4 22.7 44.7 1.5 21.5 44.1 2.0 20.2 40.9 --- > 43.9 1.4 22.7 44.7 1.5 21.5 44.1 2.1 20.2 40.9 3634c3634 < 1.9 21.4 38.8 0.6 20.9 49.8 8.5 21.8 49.6 8.8 --- > 1.8 21.4 38.8 0.6 20.9 49.8 8.5 21.8 49.6 8.8 3639,3640c3639,3640 < 38.8 11.2 18.1 38.1 11.7 16.7 38.7 11.7 27.4 48.4 < 12.2 28.3 48.6 11.7 27.5 48.7 13.0 16.4 38.0 2.1 --- > 38.8 11.2 18.1 38.1 11.6 16.7 38.7 11.7 27.4 48.4 > 12.2 28.3 48.6 11.8 27.5 48.7 13.0 16.4 38.0 2.1 3645c3645 < 41.5 3.1 20.5 37.8 3.2 20.5 36.8 3.2 21.3 38.0 --- > 41.5 3.0 20.5 37.8 3.2 20.5 36.8 3.2 21.3 38.0 3651c3651 < 48.1 9.7 24.3 49.3 9.4 21.0 38.9 12.8 20.7 39.7 --- > 48.1 9.7 24.3 49.3 9.4 21.0 38.9 12.8 20.8 39.7 3655c3655 < 11.2 21.9 39.5 8.7 20.9 39.5 8.8 22.2 40.2 9.3 --- > 11.2 21.9 39.5 8.7 20.9 39.5 8.8 22.2 40.2 9.2 3658c3658 < 7.2 24.8 35.3 7.0 23.6 35.4 7.9 26.0 30.5 2.9 --- > 7.2 24.8 35.3 7.1 23.6 35.4 7.9 26.0 30.5 2.9 3664c3664 < 12.5 16.4 44.1 6.5 16.3 45.0 6.7 17.1 43.8 7.0 --- > 12.5 16.4 44.1 6.5 16.3 45.0 6.7 17.1 43.7 7.0 3672c3672 < 40.0 9.0 25.7 45.9 14.5 26.3 45.9 13.7 25.4 46.8 --- > 40.0 9.0 25.7 45.9 14.5 26.2 45.9 13.7 25.4 46.8 3674c3674 < 18.4 36.9 13.1 19.2 36.4 13.2 17.7 36.2 13.2 31.2 --- > 18.4 36.9 13.1 19.2 36.4 13.2 17.7 36.2 13.3 31.2 3678,3679c3678,3679 < 53.1 12.3 32.7 53.3 12.3 31.8 55.2 14.8 30.9 55.5 < 14.6 31.9 54.4 14.1 29.1 51.4 13.5 29.9 50.9 13.5 --- > 53.0 12.3 32.7 53.3 12.3 31.8 55.2 14.8 30.9 55.4 > 14.6 31.9 54.4 14.2 29.1 51.4 13.5 29.9 50.9 13.5 3681c3681 < 26.4 -0.0 30.4 26.0 -0.7 31.2 25.4 -0.4 30.5 26.7 --- > 26.4 -0.0 30.4 26.0 -0.6 31.2 25.4 -0.4 30.5 26.7 3693c3693 < 30.0 59.0 25.5 30.8 59.5 25.3 30.3 58.1 28.6 26.4 --- > 30.0 59.0 25.5 30.8 59.5 25.2 30.2 58.1 28.6 26.4 3695c3695 < 22.9 28.6 59.4 24.4 28.7 59.8 28.1 28.8 58.6 28.2 --- > 22.9 28.6 59.4 24.4 28.7 59.8 28.1 28.8 58.6 28.3 3697,3700c3697,3700 < 56.9 29.6 28.2 56.4 27.1 24.7 55.1 27.4 24.6 56.0 < 26.3 25.3 55.2 27.6 24.4 57.8 28.5 24.3 58.0 27.2 < 24.1 58.6 30.6 30.2 58.1 29.7 30.1 58.3 30.9 29.3 < 57.9 32.9 31.2 56.9 32.2 31.1 57.5 32.6 31.5 56.1 --- > 56.8 29.6 28.1 56.4 27.1 24.7 55.1 27.4 24.6 56.0 > 26.3 25.3 55.2 27.6 24.4 57.8 28.5 24.3 58.1 27.1 > 24.2 58.6 30.6 30.2 58.0 29.7 30.1 58.4 30.9 29.2 > 57.9 32.9 31.2 56.9 32.2 31.1 57.5 32.5 31.4 56.0 3702c3702 < 26.5 58.8 31.1 27.0 58.0 32.0 26.2 58.9 23.3 7.4 --- > 26.5 58.8 31.0 27.0 57.9 32.0 26.1 58.8 23.3 7.4 3704,3714c3704,3714 < 29.2 5.4 48.5 29.8 4.3 47.8 22.9 5.1 46.6 22.7 < 4.5 45.8 23.0 5.9 46.2 24.8 5.0 48.6 24.9 4.0 < 48.6 24.2 5.2 47.8 28.5 4.8 43.4 28.7 4.0 43.9 < 29.4 5.1 43.2 27.1 2.0 42.4 27.3 2.2 43.3 26.3 < 2.6 42.3 28.3 2.4 44.7 29.0 1.8 44.7 28.2 2.6 < 45.7 36.2 13.9 55.5 36.8 13.6 54.9 36.3 14.9 55.5 < 28.5 15.5 52.0 28.3 15.2 51.1 27.8 15.0 52.5 35.1 < 18.5 47.5 34.3 18.9 47.0 35.7 19.2 47.6 29.3 15.6 < 47.2 30.0 15.0 47.2 29.6 16.3 47.8 30.5 12.2 45.0 < 30.6 11.5 44.4 29.5 12.3 45.0 36.3 9.8 51.3 37.0 < 9.2 51.0 36.5 10.1 52.2 36.3 16.1 47.4 35.5 15.6 --- > 29.2 5.4 48.5 29.7 4.3 47.7 22.9 5.1 46.6 22.7 > 4.5 45.8 23.1 5.9 46.2 24.8 5.0 48.6 24.8 4.0 > 48.6 24.2 5.2 47.8 28.5 4.8 43.4 28.7 4.0 43.8 > 29.4 5.1 43.1 27.1 2.0 42.4 27.3 2.2 43.3 26.4 > 2.6 42.2 28.3 2.4 44.7 29.1 1.8 44.7 28.2 2.6 > 45.7 36.2 13.9 55.5 36.8 13.6 54.9 36.2 14.9 55.4 > 28.5 15.5 52.0 28.3 15.2 51.1 27.8 15.1 52.5 35.1 > 18.5 47.5 34.3 18.9 47.1 35.7 19.2 47.7 29.3 15.6 > 47.2 30.0 14.9 47.3 29.6 16.3 47.8 30.5 12.2 45.0 > 30.6 11.5 44.4 29.5 12.4 45.0 36.3 9.8 51.3 37.0 > 9.2 51.0 36.5 10.1 52.2 36.3 16.2 47.4 35.5 15.6 3716,3727c3716,3727 < 31.0 13.2 46.4 32.8 12.8 50.0 33.0 13.7 50.3 33.7 < 12.5 49.8 33.8 8.3 46.0 33.2 9.1 46.4 34.3 8.8 < 45.4 32.5 10.9 46.5 32.1 10.7 47.4 31.8 11.2 46.0 < 31.3 22.8 50.1 31.2 23.8 50.2 30.6 22.4 50.7 37.6 < 11.8 46.3 38.2 12.6 46.4 36.7 12.1 46.3 36.8 16.6 < 55.0 36.0 16.7 54.6 36.8 17.3 55.7 40.6 17.0 51.8 < 39.8 17.3 51.4 40.3 16.5 52.6 32.3 16.0 52.5 32.7 < 16.0 51.6 32.1 15.1 52.7 31.1 11.2 48.8 31.5 11.7 < 49.5 31.2 10.3 49.0 32.9 18.1 49.2 32.9 19.0 49.5 < 33.7 18.1 48.6 26.0 16.1 49.7 26.5 16.9 49.8 26.6 < 15.4 49.8 28.4 19.5 51.4 28.9 20.3 51.5 28.9 18.9 < 52.0 24.3 14.7 51.5 24.8 15.1 50.7 24.9 15.0 52.2 --- > 31.0 13.2 46.5 32.8 12.8 50.0 32.9 13.7 50.3 33.7 > 12.5 49.8 33.8 8.3 46.0 33.3 9.0 46.5 34.3 8.8 > 45.4 32.5 10.9 46.5 32.1 10.7 47.3 31.8 11.3 46.0 > 31.3 22.8 50.1 31.2 23.8 50.3 30.7 22.4 50.7 37.6 > 11.8 46.3 38.1 12.6 46.3 36.7 12.1 46.3 36.8 16.6 > 55.0 35.9 16.6 54.6 36.8 17.3 55.7 40.6 17.0 51.8 > 39.8 17.3 51.4 40.3 16.5 52.5 32.3 16.0 52.5 32.7 > 16.0 51.6 32.1 15.1 52.7 31.1 11.2 48.8 31.4 11.7 > 49.5 31.2 10.3 49.0 32.9 18.1 49.2 33.0 19.0 49.5 > 33.7 18.0 48.6 26.0 16.1 49.7 26.5 16.9 49.8 26.6 > 15.4 49.8 28.4 19.5 51.4 28.9 20.3 51.5 28.8 18.9 > 52.0 24.3 14.7 51.5 24.8 15.0 50.7 24.8 15.0 52.2 3731,3735c3731,3735 < 36.0 10.4 48.6 36.9 10.5 47.4 33.4 15.6 49.9 33.8 < 15.3 49.1 33.2 16.5 49.7 39.2 16.0 53.9 38.2 16.1 < 54.1 39.6 16.0 54.7 38.1 13.6 53.5 38.7 14.3 53.6 < 38.3 13.3 52.6 29.7 8.3 46.0 28.8 8.6 46.1 29.8 < 8.1 45.1 33.5 14.4 43.0 32.6 14.6 43.3 33.6 13.5 --- > 36.1 10.4 48.6 36.9 10.5 47.4 33.4 15.6 49.9 33.9 > 15.3 49.1 33.2 16.5 49.7 39.2 16.0 53.9 38.2 16.0 > 54.0 39.6 16.0 54.7 38.1 13.6 53.5 38.7 14.3 53.6 > 38.2 13.3 52.6 29.7 8.3 46.0 28.8 8.6 46.1 29.8 > 8.0 45.1 33.5 14.4 43.0 32.6 14.7 43.3 33.5 13.5 3739,3740c3739,3740 < 50.7 37.4 17.0 50.8 37.9 18.4 51.2 38.2 8.0 50.9 < 38.7 7.6 51.6 38.3 7.5 50.1 37.5 19.7 52.1 37.8 --- > 50.7 37.4 17.0 50.9 37.9 18.4 51.1 38.2 8.0 50.9 > 38.7 7.5 51.6 38.3 7.5 50.1 37.5 19.7 52.1 37.8 3743,3744c3743,3744 < 32.5 8.7 49.9 32.4 20.5 52.9 32.5 20.3 51.9 33.2 < 20.5 53.3 41.0 14.6 50.3 41.0 14.9 49.4 41.0 15.5 --- > 32.5 8.7 49.8 32.4 20.5 52.9 32.6 20.3 52.0 33.2 > 20.6 53.3 41.0 14.6 50.3 41.0 14.8 49.4 41.0 15.5 3746,3752c3746,3752 < 34.8 20.5 56.9 34.7 21.0 57.7 35.2 21.2 56.3 28.3 < 11.7 48.9 27.9 10.8 48.9 29.3 11.4 48.9 33.2 18.4 < 56.1 33.6 19.2 56.2 32.3 18.6 55.9 34.1 22.8 47.4 < 34.3 22.6 48.3 33.5 23.6 47.4 34.4 17.4 53.9 34.1 < 17.4 54.8 33.7 16.9 53.4 37.6 14.8 44.1 37.3 14.4 < 43.3 37.2 15.7 44.2 29.2 26.2 54.3 28.9 26.9 54.9 < 28.5 25.5 54.3 29.9 8.2 43.2 29.4 8.3 42.5 30.3 --- > 34.8 20.5 56.9 34.8 20.9 57.7 35.2 21.2 56.3 28.3 > 11.7 48.9 27.9 10.9 48.9 29.3 11.4 48.9 33.2 18.4 > 56.1 33.6 19.2 56.2 32.3 18.5 55.9 34.1 22.8 47.4 > 34.2 22.6 48.3 33.5 23.6 47.4 34.4 17.4 53.9 34.1 > 17.4 54.8 33.7 16.9 53.5 37.6 14.8 44.1 37.3 14.4 > 43.3 37.1 15.6 44.2 29.2 26.2 54.3 28.8 26.8 54.9 > 28.6 25.5 54.3 29.9 8.2 43.2 29.4 8.4 42.5 30.3 3754,3756c3754,3756 < 55.9 32.9 20.6 50.1 32.3 21.4 50.2 33.8 21.1 50.0 < 34.1 22.7 58.6 35.0 23.1 58.5 33.6 23.1 57.8 36.1 < 15.8 50.7 35.2 15.9 50.6 36.3 15.0 50.2 39.3 12.7 --- > 55.9 32.9 20.6 50.1 32.3 21.3 50.3 33.8 21.1 50.0 > 34.1 22.7 58.6 35.0 23.1 58.5 33.6 23.1 57.9 36.1 > 15.8 50.7 35.2 15.9 50.6 36.3 15.0 50.1 39.3 12.7 3758,3764c3758,3764 < 38.8 17.6 49.0 37.8 17.0 48.0 35.0 22.7 52.6 35.0 < 21.7 52.8 36.0 22.9 52.7 35.5 21.5 49.4 36.0 21.0 < 48.7 36.1 21.4 50.2 29.3 22.1 51.7 28.5 22.5 51.4 < 29.2 22.1 52.6 33.4 25.5 59.1 33.5 24.6 59.3 34.1 < 25.7 58.4 27.5 8.8 48.9 28.2 8.2 48.7 26.9 8.2 < 49.5 36.5 22.4 55.5 37.1 21.7 55.2 37.0 23.2 55.3 < 36.8 18.9 56.6 36.0 19.3 56.6 37.4 19.5 56.9 35.0 --- > 38.8 17.7 49.0 37.7 17.1 48.1 35.0 22.7 52.6 35.0 > 21.7 52.8 35.9 22.9 52.8 35.5 21.5 49.4 36.0 21.0 > 48.8 36.1 21.4 50.2 29.3 22.1 51.7 28.5 22.5 51.4 > 29.2 22.0 52.6 33.4 25.5 59.1 33.5 24.6 59.3 34.1 > 25.7 58.4 27.5 8.8 49.0 28.2 8.2 48.6 26.9 8.2 > 49.4 36.5 22.4 55.5 37.1 21.7 55.2 37.0 23.2 55.4 > 36.8 18.9 56.6 36.0 19.3 56.6 37.5 19.5 56.8 35.0 3766,3768c3766,3768 < 48.4 29.8 7.5 47.5 30.4 7.8 48.8 38.2 20.3 54.7 < 38.8 20.8 55.2 37.9 19.6 55.2 31.8 6.4 45.9 32.6 < 6.9 46.0 31.1 7.0 46.0 35.7 7.4 47.9 36.2 8.2 --- > 48.5 29.7 7.4 47.5 30.4 7.9 48.8 38.2 20.3 54.7 > 38.8 20.9 55.2 37.9 19.7 55.3 31.8 6.4 45.9 32.6 > 6.9 46.0 31.1 7.0 46.0 35.7 7.4 47.9 36.2 8.1 3770c3770 < 38.8 22.2 50.1 39.3 20.1 48.0 40.1 20.1 47.4 39.0 --- > 38.9 22.2 50.1 39.3 20.1 48.0 40.1 20.1 47.4 39.0 3772,3773c3772,3773 < 48.1 33.2 24.4 53.3 32.7 23.7 53.8 33.8 23.9 52.8 < 25.7 19.4 51.7 26.7 19.6 51.6 25.7 18.4 51.7 31.0 --- > 48.1 33.2 24.4 53.3 32.8 23.7 53.8 33.8 23.9 52.8 > 25.7 19.4 51.7 26.7 19.6 51.6 25.7 18.4 51.6 31.0 3775,3776c3775,3776 < 48.2 30.4 19.0 47.9 31.2 17.9 48.6 28.0 14.4 49.5 < 27.9 13.5 49.2 28.4 14.8 48.7 27.4 9.6 46.3 26.5 --- > 48.2 30.4 19.0 47.9 31.1 17.9 48.6 28.0 14.4 49.5 > 27.8 13.5 49.2 28.3 14.8 48.7 27.4 9.6 46.3 26.5 3778,3782c3778,3782 < 45.8 33.5 21.3 46.3 36.7 20.5 47.2 37.6 20.3 47.4 < 36.7 21.4 46.7 39.1 19.6 43.3 39.0 19.2 44.2 39.9 < 20.1 43.4 33.7 11.8 43.0 34.4 11.2 43.4 32.9 11.5 < 43.2 31.3 10.5 43.3 30.7 9.7 43.4 31.4 10.5 42.3 < 31.1 5.7 43.4 31.3 5.9 44.4 32.0 5.6 43.0 40.0 --- > 45.8 33.5 21.3 46.3 36.7 20.5 47.2 37.5 20.3 47.4 > 36.8 21.4 46.8 39.1 19.6 43.3 39.0 19.3 44.2 39.9 > 20.2 43.3 33.8 11.8 43.0 34.3 11.2 43.5 32.9 11.5 > 43.2 31.3 10.5 43.3 30.6 9.8 43.4 31.4 10.5 42.3 > 31.1 5.7 43.4 31.3 6.0 44.3 32.0 5.7 43.1 40.0 3784,3789c3784,3789 < 48.7 37.2 6.5 48.4 38.6 6.8 47.9 26.4 20.9 54.0 < 26.0 20.5 53.2 26.1 21.8 53.9 36.3 17.3 44.4 37.2 < 17.6 44.7 35.9 18.1 44.2 37.3 13.5 49.6 37.9 13.8 < 48.9 37.9 13.1 50.2 28.6 22.5 54.3 28.1 23.3 54.4 < 28.0 21.8 54.3 38.8 18.0 45.4 39.5 17.4 45.1 38.8 < 17.9 46.4 38.3 14.5 46.7 38.1 14.6 45.8 37.7 15.0 --- > 48.7 37.3 6.5 48.4 38.6 6.8 47.9 26.4 20.9 54.0 > 26.0 20.5 53.2 26.2 21.8 53.9 36.3 17.3 44.4 37.2 > 17.6 44.7 35.8 18.1 44.2 37.3 13.5 49.6 38.0 13.8 > 48.9 37.8 13.1 50.2 28.6 22.5 54.3 28.1 23.3 54.3 > 28.0 21.8 54.3 38.8 17.9 45.4 39.5 17.4 45.1 38.8 > 17.9 46.4 38.3 14.5 46.7 38.1 14.5 45.8 37.7 15.0 3791,3792c3791,3792 < 30.2 24.0 58.0 30.6 24.8 58.4 30.9 23.4 57.8 31.4 < 22.5 54.4 30.4 22.5 54.5 31.6 21.8 53.8 39.7 29.6 --- > 30.2 24.0 58.0 30.6 24.7 58.4 30.9 23.4 57.8 31.4 > 22.5 54.4 30.4 22.4 54.5 31.6 21.8 53.8 39.7 29.6 3794,3799c3794,3799 < 39.5 31.8 54.8 38.7 32.3 56.0 46.6 33.5 47.7 46.4 < 34.1 46.9 47.3 34.0 48.1 40.4 31.3 47.6 41.0 30.6 < 47.9 40.7 32.1 48.1 41.6 27.4 45.8 41.8 26.9 45.0 < 40.7 27.5 45.8 47.4 26.1 53.3 47.5 25.3 52.8 47.9 < 25.9 54.1 47.1 30.9 47.7 46.3 30.5 47.7 47.0 31.8 < 47.7 42.2 29.3 47.7 42.0 28.6 48.4 42.1 28.8 46.9 --- > 39.4 31.7 54.8 38.7 32.3 55.9 46.6 33.5 47.7 46.4 > 34.0 46.9 47.3 34.0 48.1 40.4 31.3 47.6 40.9 30.6 > 48.0 40.6 32.1 48.1 41.6 27.4 45.8 41.8 26.9 45.0 > 40.7 27.6 45.8 47.4 26.1 53.3 47.5 25.3 52.7 47.9 > 25.9 54.1 47.1 30.9 47.7 46.3 30.5 47.8 47.0 31.8 > 47.7 42.2 29.3 47.7 41.9 28.7 48.3 42.1 28.8 46.9 3802,3806c3802,3806 < 54.2 39.5 28.4 54.7 40.4 28.8 53.5 43.5 26.3 47.4 < 43.3 26.4 48.3 42.9 26.8 46.9 37.8 29.1 54.7 38.0 < 29.8 55.3 37.0 29.3 54.3 48.8 27.6 48.3 49.6 27.4 < 47.7 48.1 27.6 47.6 42.9 30.9 52.1 43.6 31.2 51.6 < 43.0 30.0 52.2 42.4 27.3 49.6 42.8 27.8 50.3 41.8 --- > 54.2 39.5 28.4 54.7 40.4 28.9 53.6 43.5 26.3 47.4 > 43.3 26.4 48.3 43.0 26.9 46.9 37.9 29.1 54.7 38.0 > 29.8 55.4 37.0 29.3 54.4 48.8 27.6 48.3 49.6 27.3 > 47.7 48.1 27.6 47.6 42.9 30.9 52.1 43.7 31.2 51.6 > 42.9 30.0 52.2 42.4 27.3 49.6 42.8 27.8 50.3 41.7 3808,3809c3808,3809 < 55.0 38.6 27.2 51.3 37.7 27.4 51.5 38.7 27.2 50.3 < 35.4 26.3 57.3 35.2 27.2 57.6 35.8 26.4 56.5 44.1 --- > 55.0 38.6 27.2 51.2 37.7 27.4 51.5 38.7 27.3 50.3 > 35.4 26.3 57.3 35.2 27.2 57.6 35.9 26.4 56.5 44.1 3812,3817c3812,3817 < 39.7 34.8 53.2 39.7 33.3 53.2 35.2 30.3 51.0 35.8 < 30.8 50.4 35.6 29.4 51.0 46.2 27.1 47.0 45.2 27.2 < 47.2 46.5 26.7 47.8 43.9 23.1 51.8 43.3 22.4 51.5 < 44.3 23.4 51.0 43.6 20.2 55.4 43.7 19.7 54.6 44.2 < 19.8 56.1 51.6 29.8 48.7 50.9 30.3 48.3 52.2 29.6 < 47.9 46.7 26.1 49.4 46.5 26.6 50.2 47.5 26.4 49.2 --- > 39.7 34.8 53.2 39.6 33.3 53.2 35.2 30.3 51.0 35.8 > 30.8 50.5 35.7 29.4 51.0 46.2 27.1 47.0 45.3 27.2 > 47.2 46.6 26.7 47.8 43.9 23.1 51.8 43.4 22.4 51.6 > 44.2 23.4 50.9 43.6 20.2 55.4 43.7 19.6 54.7 44.1 > 19.8 56.1 51.6 29.8 48.7 50.9 30.4 48.3 52.2 29.7 > 47.9 46.7 26.1 49.4 46.5 26.6 50.2 47.5 26.4 49.1 3819c3819 < 22.4 52.2 40.8 21.9 51.6 41.0 23.0 52.6 40.4 23.9 --- > 22.4 52.2 40.7 21.9 51.6 41.0 23.0 52.6 40.4 23.9 3821,3822c3821,3822 < 42.5 18.3 49.8 42.0 18.0 51.2 43.2 29.9 43.2 42.3 < 29.8 43.0 43.6 29.1 43.2 46.5 37.9 46.8 46.0 38.4 --- > 42.6 18.3 49.8 42.1 18.0 51.2 43.2 29.9 43.2 42.3 > 29.8 43.0 43.6 29.1 43.2 46.5 37.9 46.8 46.0 38.5 3825,3831c3825,3831 < 27.4 52.2 44.4 30.8 47.6 43.7 30.2 47.4 44.4 31.4 < 46.8 47.8 23.5 52.5 47.2 22.8 52.8 48.1 23.2 51.6 < 35.9 27.8 51.2 35.6 27.2 50.6 35.7 27.3 52.1 42.8 < 26.9 53.9 42.5 26.0 53.7 42.1 27.4 54.2 44.1 31.7 < 44.9 43.7 31.0 44.4 44.9 32.0 44.5 40.8 25.6 51.1 < 40.1 26.2 51.4 41.2 25.2 51.9 52.3 29.5 51.4 52.1 < 29.6 50.4 52.4 30.4 51.7 39.7 22.7 56.6 40.6 22.6 --- > 27.4 52.2 44.4 30.8 47.6 43.8 30.1 47.4 44.4 31.4 > 46.8 47.8 23.5 52.5 47.2 22.8 52.8 48.1 23.3 51.6 > 35.9 27.8 51.2 35.7 27.1 50.6 35.9 27.3 52.1 42.8 > 26.9 53.9 42.4 26.0 53.6 42.1 27.4 54.2 44.1 31.7 > 44.9 43.7 31.0 44.4 44.9 31.9 44.5 40.8 25.6 51.1 > 40.2 26.2 51.4 41.2 25.2 51.8 52.3 29.5 51.4 52.1 > 29.6 50.5 52.3 30.4 51.8 39.7 22.7 56.6 40.6 22.5 3833,3837c3833,3837 < 40.1 31.1 52.9 37.8 27.4 48.6 36.9 27.5 48.7 38.0 < 26.7 48.1 37.7 23.1 52.7 38.0 23.8 53.3 38.5 22.6 < 52.5 39.0 24.1 59.0 39.4 23.7 58.2 38.1 23.9 58.9 < 44.3 38.9 48.1 44.3 39.5 48.8 43.4 38.5 48.1 49.0 < 30.4 44.2 48.9 30.1 43.3 48.7 31.3 44.2 40.6 23.3 --- > 40.1 31.1 52.9 37.8 27.4 48.6 36.9 27.5 48.8 37.9 > 26.6 48.1 37.7 23.1 52.7 38.0 23.8 53.3 38.5 22.6 > 52.5 39.0 24.1 59.0 39.4 23.7 58.2 38.1 24.0 58.9 > 44.3 38.9 48.1 44.2 39.5 48.8 43.4 38.4 48.2 49.0 > 30.4 44.2 49.0 30.1 43.3 48.7 31.3 44.2 40.6 23.3 3839,3841c3839,3841 < 32.3 29.2 51.5 31.6 30.3 52.4 36.4 23.9 57.9 36.4 < 23.5 57.0 36.5 24.8 57.8 45.7 21.9 53.2 45.4 21.0 < 53.3 45.1 22.3 52.7 47.4 32.0 51.0 46.4 31.8 50.9 --- > 32.3 29.2 51.5 31.7 30.3 52.4 36.4 23.9 57.9 36.5 > 23.5 57.0 36.6 24.8 57.8 45.7 21.9 53.2 45.4 21.0 > 53.3 45.1 22.3 52.6 47.4 32.0 51.0 46.4 31.8 50.9 3843,3844c3843,3844 < 24.0 52.9 52.7 28.2 53.7 52.9 28.4 52.8 51.8 28.2 < 53.9 48.7 33.7 49.4 49.5 33.2 49.3 48.1 33.2 49.9 --- > 24.1 52.9 52.7 28.3 53.7 52.9 28.4 52.8 51.8 28.2 > 53.8 48.6 33.7 49.4 49.5 33.2 49.3 48.1 33.2 49.9 3846c3846 < 20.6 57.9 38.4 20.8 58.8 38.9 21.4 57.5 35.3 26.3 --- > 20.6 57.9 38.4 20.8 58.8 38.8 21.4 57.5 35.3 26.3 3848,3850c3848,3850 < 37.8 25.2 55.0 39.2 24.8 55.3 36.8 24.0 49.0 36.4 < 23.1 49.1 37.5 24.0 49.5 39.5 23.8 49.5 39.9 23.9 < 48.6 39.8 24.5 50.0 42.5 22.1 47.7 43.3 22.7 47.7 --- > 37.8 25.3 55.1 39.2 24.8 55.3 36.8 24.0 49.0 36.5 > 23.1 49.1 37.5 24.1 49.5 39.5 23.8 49.5 39.8 24.0 > 48.6 39.8 24.5 50.0 42.5 22.1 47.6 43.3 22.7 47.8 3852,3860c3852,3860 < 23.6 48.8 40.3 26.0 55.9 40.7 26.3 56.7 40.6 26.7 < 55.3 42.3 22.6 55.5 42.6 21.7 55.4 42.9 23.0 56.2 < 34.4 28.8 57.1 34.2 28.6 56.1 34.0 29.6 57.2 42.1 < 21.4 50.3 42.3 20.4 50.3 42.5 21.7 49.5 44.3 19.5 < 53.0 43.7 19.4 52.2 45.1 19.0 52.7 50.7 35.7 49.0 < 50.2 36.3 48.4 50.1 34.9 49.1 51.0 32.6 49.2 51.9 < 33.0 49.1 51.3 31.7 49.2 36.3 34.5 53.4 37.2 34.3 < 53.3 35.9 33.8 53.7 34.8 32.6 54.7 33.9 32.5 54.5 < 34.9 32.5 55.7 41.4 33.6 48.8 41.0 34.4 48.5 42.3 --- > 23.7 48.8 40.3 26.0 55.9 40.6 26.3 56.7 40.6 26.7 > 55.3 42.3 22.6 55.5 42.5 21.7 55.4 42.9 22.9 56.2 > 34.4 28.8 57.1 34.3 28.6 56.1 34.0 29.6 57.2 42.1 > 21.4 50.3 42.3 20.4 50.2 42.5 21.8 49.6 44.3 19.5 > 53.0 43.7 19.4 52.2 45.1 19.1 52.7 50.7 35.7 49.0 > 50.2 36.3 48.4 50.2 34.9 49.0 51.0 32.6 49.3 51.9 > 33.0 49.2 51.3 31.7 49.2 36.3 34.5 53.4 37.2 34.2 > 53.3 35.9 33.8 53.7 34.8 32.6 54.7 33.9 32.4 54.5 > 34.9 32.4 55.7 41.4 33.6 48.8 41.0 34.4 48.5 42.2 3862c3862 < 48.6 38.1 25.2 46.8 37.5 25.3 46.1 37.6 24.7 47.5 --- > 48.6 38.1 25.2 46.8 37.5 25.4 46.1 37.5 24.7 47.4 3864,3865c3864,3865 < 37.0 47.2 49.5 37.7 46.8 48.2 37.2 47.2 49.4 35.9 < 43.1 49.3 35.8 44.1 49.9 36.8 43.1 44.1 27.3 43.2 --- > 37.0 47.2 49.5 37.7 46.8 48.2 37.1 47.1 49.4 35.9 > 43.1 49.3 35.8 44.1 49.9 36.8 43.0 44.1 27.3 43.2 3867,3878c3867,3878 < 24.8 44.0 41.8 25.8 42.9 34.7 26.7 53.3 34.4 25.8 < 53.2 34.3 27.1 54.0 45.1 18.8 49.6 44.3 18.5 50.0 < 45.7 18.7 50.3 46.5 18.3 52.0 47.2 18.5 51.4 47.0 < 17.9 52.7 41.7 20.5 43.8 42.2 21.2 43.4 42.0 19.7 < 43.4 33.3 28.8 54.6 32.7 29.0 53.8 34.1 29.4 54.4 < 48.2 19.5 50.4 48.1 20.4 50.3 48.4 19.2 49.5 35.5 < 30.2 53.7 35.5 30.4 52.8 35.5 31.1 54.1 47.9 22.1 < 50.0 47.0 22.6 49.9 48.4 22.6 49.3 48.1 32.9 43.8 < 48.4 33.4 44.6 47.3 33.4 43.6 47.9 29.5 49.9 47.8 < 30.0 49.1 48.5 28.8 49.6 49.4 34.7 45.5 50.0 34.1 < 45.9 49.3 35.4 46.2 49.7 30.6 46.8 49.4 30.6 45.9 < 48.9 30.8 47.3 41.6 19.8 46.6 41.8 20.7 46.9 41.7 --- > 24.8 44.0 41.7 25.9 42.9 34.7 26.7 53.2 34.5 25.8 > 53.2 34.4 27.0 54.1 45.1 18.8 49.6 44.3 18.5 50.0 > 45.8 18.7 50.3 46.5 18.3 52.0 47.1 18.5 51.3 47.1 > 18.0 52.7 41.7 20.5 43.8 42.1 21.3 43.4 42.0 19.7 > 43.4 33.3 28.8 54.6 32.7 29.1 53.9 34.1 29.4 54.5 > 48.3 19.5 50.4 48.1 20.4 50.3 48.3 19.2 49.5 35.5 > 30.2 53.7 35.6 30.4 52.8 35.5 31.1 54.1 47.9 22.1 > 50.0 47.1 22.7 50.0 48.5 22.6 49.4 48.1 32.9 43.8 > 48.4 33.3 44.6 47.3 33.4 43.6 47.9 29.5 49.9 47.8 > 30.1 49.1 48.5 28.8 49.7 49.4 34.7 45.5 50.0 34.1 > 46.0 49.3 35.4 46.2 49.7 30.6 46.8 49.4 30.7 45.9 > 48.9 30.9 47.3 41.7 19.8 46.6 41.7 20.7 46.9 41.7 3881,3882c3881,3882 < 51.1 38.1 43.1 51.9 38.6 43.2 51.5 37.4 42.5 53.0 < 34.2 48.6 52.2 34.8 48.6 53.4 34.3 49.4 30.7 0.3 --- > 51.1 38.1 43.1 51.9 38.6 43.2 51.4 37.4 42.5 53.0 > 34.2 48.6 52.2 34.7 48.7 53.4 34.2 49.4 30.7 0.3 3884,3887c3884,3887 < 29.0 3.8 41.8 28.7 2.5 41.1 27.3 -1.9 40.2 27.3 < -1.3 39.5 27.8 -1.4 40.9 32.1 1.7 45.1 32.9 1.3 < 45.6 32.4 1.8 44.2 25.0 -1.4 41.3 25.9 -1.6 41.2 < 25.0 -0.4 41.3 28.2 -0.2 42.0 28.9 -0.1 42.7 27.8 --- > 29.1 3.8 41.8 28.7 2.5 41.1 27.3 -1.9 40.3 27.4 > -1.3 39.5 27.8 -1.5 40.9 32.1 1.7 45.1 32.9 1.3 > 45.6 32.4 1.7 44.2 25.0 -1.4 41.3 25.9 -1.6 41.2 > 25.0 -0.4 41.4 28.2 -0.2 42.0 28.9 -0.1 42.7 27.8 3889,3890c3889,3890 < 44.2 39.9 6.4 37.2 39.7 5.9 36.4 39.7 5.9 37.9 < 37.7 7.6 42.4 38.6 7.6 42.1 37.6 8.3 43.1 46.3 --- > 44.1 39.9 6.4 37.2 39.6 6.0 36.4 39.7 5.9 37.9 > 37.7 7.6 42.4 38.6 7.6 42.2 37.6 8.3 43.0 46.3 3892,3895c3892,3895 < 33.3 40.4 7.8 33.4 40.3 9.1 34.0 41.2 9.4 46.2 < 41.1 10.4 46.0 41.1 9.5 47.2 42.5 6.4 41.3 43.0 < 6.4 40.4 43.2 6.6 41.9 48.1 8.9 34.2 47.9 8.6 < 35.1 47.5 9.7 34.2 41.0 6.0 33.5 40.5 5.6 34.2 --- > 33.3 40.5 7.8 33.4 40.3 9.1 34.0 41.2 9.4 46.2 > 41.0 10.4 46.0 41.0 9.4 47.2 42.5 6.3 41.3 43.0 > 6.4 40.4 43.2 6.6 41.9 48.1 8.9 34.2 47.9 8.5 > 35.1 47.5 9.7 34.1 41.0 6.0 33.5 40.5 5.6 34.2 3897,3898c3897,3898 < 4.3 36.9 45.5 9.0 43.7 46.1 9.7 43.5 44.8 9.4 < 44.1 39.1 5.4 39.5 38.5 5.0 40.1 39.5 6.1 40.0 --- > 4.3 36.9 45.5 9.0 43.7 46.2 9.6 43.5 44.8 9.4 > 44.1 39.1 5.4 39.5 38.5 5.0 40.1 39.5 6.1 39.9 3900,3904c3900,3904 < 14.9 37.3 42.3 15.7 37.8 41.6 14.4 37.7 46.9 7.4 < 41.7 46.5 8.0 41.1 46.8 7.8 42.6 51.7 10.4 38.6 < 50.9 10.3 38.1 51.4 11.0 39.4 43.8 6.9 38.7 44.2 < 7.3 37.9 43.7 6.0 38.5 40.1 7.4 41.0 40.2 7.9 < 40.3 40.9 7.2 41.4 35.7 1.6 41.3 35.3 1.6 40.4 --- > 14.9 37.3 42.4 15.6 37.9 41.6 14.3 37.7 46.9 7.4 > 41.7 46.4 8.0 41.1 46.7 7.8 42.6 51.7 10.4 38.6 > 50.9 10.3 38.1 51.4 11.0 39.3 43.8 6.9 38.7 44.2 > 7.3 37.9 43.6 6.0 38.5 40.1 7.4 41.0 40.2 7.9 > 40.2 40.9 7.2 41.4 35.7 1.6 41.3 35.3 1.6 40.4 3906,3915c3906,3915 < 2.7 38.4 43.1 9.8 44.2 43.0 10.7 44.4 42.6 9.4 < 45.0 33.6 2.2 42.9 34.1 2.9 43.3 34.2 1.9 42.2 < 43.9 10.5 35.5 44.1 11.3 36.1 44.7 10.5 35.0 37.7 < 7.7 36.1 38.0 8.6 36.1 38.5 7.2 36.3 39.1 11.7 < 38.4 39.4 12.6 38.3 39.6 11.3 39.1 38.8 3.1 47.0 < 39.0 2.2 46.9 37.8 3.1 46.8 40.2 13.8 43.9 40.2 < 13.9 42.9 39.3 13.7 44.1 36.0 6.5 38.1 36.7 6.9 < 37.5 36.2 5.5 38.0 44.5 8.0 36.3 44.6 7.6 35.4 < 44.2 8.9 36.1 48.3 4.9 41.9 47.8 5.7 41.6 49.1 < 5.3 42.2 42.9 6.7 29.1 42.2 7.2 29.2 42.6 5.9 --- > 2.7 38.4 43.1 9.8 44.2 43.1 10.7 44.4 42.6 9.4 > 45.0 33.6 2.2 42.9 34.1 2.9 43.3 34.1 2.0 42.1 > 43.9 10.5 35.5 44.1 11.2 36.1 44.7 10.4 35.0 37.7 > 7.7 36.2 38.1 8.6 36.1 38.5 7.1 36.3 39.1 11.7 > 38.4 39.4 12.6 38.4 39.5 11.3 39.1 38.8 3.1 47.0 > 39.0 2.2 46.8 37.8 3.1 46.8 40.2 13.8 43.9 40.2 > 13.8 42.9 39.3 13.7 44.1 36.0 6.5 38.1 36.6 6.9 > 37.4 36.1 5.5 38.0 44.5 8.0 36.3 44.6 7.6 35.4 > 44.3 8.9 36.1 48.3 4.9 41.9 47.8 5.7 41.6 49.1 > 5.3 42.2 42.9 6.7 29.1 42.2 7.3 29.2 42.6 6.0 3917,3918c3917,3918 < 43.6 7.1 34.0 42.8 6.6 33.7 44.1 7.2 33.2 49.2 < 10.0 37.4 48.5 9.4 37.1 48.8 10.7 37.9 48.6 12.0 --- > 43.6 7.1 34.0 42.8 6.6 33.7 44.2 7.2 33.2 49.2 > 10.0 37.4 48.5 9.5 37.0 48.8 10.7 37.8 48.6 12.0 3920,3924c3920,3924 < 36.3 3.4 37.0 35.7 3.3 38.4 44.3 7.5 31.4 44.0 < 7.2 30.5 45.2 7.6 31.2 43.5 12.0 39.4 43.8 12.4 < 38.6 44.3 11.7 39.9 41.3 8.2 38.6 42.2 7.9 38.7 < 40.9 7.7 37.9 46.6 11.4 43.2 46.1 11.9 43.9 46.2 < 11.7 42.4 38.3 2.2 35.1 37.4 2.4 35.4 38.4 1.3 --- > 36.3 3.4 37.0 35.7 3.2 38.4 44.3 7.5 31.4 44.0 > 7.2 30.5 45.2 7.5 31.3 43.5 12.0 39.4 43.9 12.4 > 38.7 44.3 11.7 39.9 41.3 8.2 38.6 42.2 7.9 38.7 > 41.0 7.7 37.9 46.6 11.4 43.2 46.1 11.9 43.9 46.2 > 11.6 42.4 38.3 2.2 35.1 37.4 2.5 35.4 38.4 1.3 3926,3931c3926,3931 < 43.3 9.7 41.5 43.2 9.6 42.4 42.4 9.9 41.3 45.2 < 15.0 34.4 45.5 14.6 35.2 44.7 15.8 34.6 45.3 8.8 < 40.2 44.6 9.1 40.7 45.0 8.1 39.6 39.6 5.1 45.4 < 39.4 4.5 46.1 40.3 4.6 44.9 46.9 7.9 30.5 47.0 < 7.4 29.6 47.3 8.7 30.4 39.5 17.7 41.4 39.3 18.3 < 42.2 38.7 17.5 41.0 32.2 6.2 39.9 32.8 6.0 39.2 --- > 43.3 9.7 41.5 43.3 9.6 42.4 42.4 9.9 41.3 45.2 > 15.0 34.4 45.4 14.6 35.2 44.7 15.8 34.6 45.3 8.8 > 40.2 44.5 9.0 40.7 45.0 8.1 39.6 39.7 5.1 45.4 > 39.4 4.6 46.1 40.3 4.5 44.9 46.9 7.9 30.5 47.0 > 7.4 29.6 47.4 8.7 30.4 39.5 17.7 41.4 39.3 18.3 > 42.2 38.7 17.4 41.1 32.2 6.2 39.9 32.8 6.0 39.2 3933,3955c3933,3955 < 14.1 42.1 44.1 12.9 36.8 43.6 13.7 36.8 45.0 13.2 < 36.5 45.6 13.3 44.9 46.2 14.0 45.3 45.2 13.7 44.2 < 47.2 8.2 36.8 46.2 8.1 36.7 47.4 7.4 37.2 41.6 < 11.9 45.2 42.3 12.5 45.6 41.0 12.5 44.7 50.4 10.1 < 34.8 50.2 10.2 35.7 49.8 9.5 34.4 46.3 14.5 39.5 < 46.4 13.6 40.0 47.1 14.9 39.7 46.4 14.3 36.7 47.3 < 13.9 36.6 46.3 14.3 37.7 35.2 10.1 44.5 36.1 9.8 < 44.3 35.3 10.6 45.2 40.0 14.3 38.5 39.3 14.9 38.2 < 40.0 14.5 39.4 32.0 2.7 40.8 32.5 2.7 41.6 31.1 < 2.9 41.0 43.5 16.6 44.2 43.6 16.3 45.1 44.3 16.9 < 43.9 35.5 2.1 35.9 35.4 1.5 35.2 34.7 2.2 36.2 < 48.3 14.5 42.5 48.6 13.7 42.4 48.3 14.9 41.6 49.3 < 12.0 42.9 48.4 11.5 42.9 49.6 11.8 43.7 46.1 11.5 < 40.2 46.0 10.6 40.1 47.0 11.7 39.8 50.9 12.2 40.8 < 51.8 12.3 41.1 50.4 12.1 41.5 49.0 13.7 37.1 49.5 < 13.3 36.5 49.3 14.6 37.1 35.0 4.2 44.1 34.5 4.8 < 43.5 35.9 4.4 43.8 50.6 13.0 35.0 51.4 13.4 34.8 < 50.8 12.0 34.8 36.1 3.3 46.3 35.8 3.9 47.0 35.7 < 3.6 45.5 53.3 10.0 34.9 53.4 10.9 34.8 52.4 9.8 < 35.0 43.3 13.9 46.3 43.4 14.8 46.6 44.1 13.5 46.1 < 44.3 16.1 39.9 43.7 15.4 40.1 45.1 15.7 39.7 36.9 < 12.5 39.7 37.7 12.2 39.3 36.4 11.7 40.0 41.1 10.7 < 39.8 41.2 9.9 39.4 41.9 11.2 39.5 33.7 12.0 40.2 --- > 14.1 42.1 44.1 12.9 36.8 43.6 13.7 36.7 44.9 13.1 > 36.3 45.6 13.3 44.9 46.1 14.0 45.3 45.2 13.7 44.2 > 47.2 8.2 36.8 46.3 8.1 36.6 47.4 7.3 37.2 41.6 > 11.9 45.2 42.3 12.5 45.6 41.0 12.5 44.8 50.4 10.1 > 34.8 50.3 10.3 35.7 49.7 9.5 34.5 46.3 14.4 39.5 > 46.4 13.7 40.0 47.1 15.0 39.7 46.4 14.3 36.7 47.3 > 13.9 36.6 46.4 14.3 37.7 35.2 10.1 44.5 36.1 9.8 > 44.3 35.3 10.6 45.3 40.0 14.3 38.5 39.3 14.9 38.2 > 40.1 14.4 39.4 32.0 2.7 40.8 32.5 2.8 41.5 31.1 > 2.9 41.1 43.5 16.6 44.2 43.7 16.3 45.1 44.3 16.9 > 43.9 35.5 2.1 35.9 35.4 1.6 35.1 34.7 2.3 36.2 > 48.3 14.5 42.5 48.6 13.7 42.4 48.2 14.9 41.6 49.3 > 12.0 42.9 48.4 11.5 42.8 49.6 11.8 43.7 46.1 11.5 > 40.2 46.0 10.6 40.1 46.9 11.7 39.8 50.9 12.2 40.8 > 51.8 12.3 41.1 50.4 12.1 41.6 49.0 13.7 37.2 49.5 > 13.2 36.5 49.3 14.6 37.1 35.0 4.2 44.1 34.5 4.8 > 43.5 35.9 4.4 43.8 50.6 13.0 34.9 51.4 13.5 34.8 > 50.9 12.1 34.9 36.1 3.2 46.3 35.8 3.9 47.0 35.7 > 3.5 45.5 53.3 10.0 34.9 53.5 10.9 34.9 52.4 9.9 > 35.0 43.3 13.9 46.3 43.4 14.8 46.7 44.1 13.6 46.1 > 44.3 16.1 39.9 43.7 15.3 40.1 45.1 15.7 39.7 36.9 > 12.5 39.7 37.7 12.2 39.3 36.5 11.7 40.0 41.1 10.7 > 39.8 41.2 9.9 39.4 41.8 11.2 39.5 33.7 12.0 40.2 3957,3958c3957,3958 < 11.3 34.5 41.9 10.4 35.3 39.3 4.8 35.1 39.0 3.9 < 35.0 38.4 5.2 35.1 44.9 12.7 32.9 43.9 12.6 32.8 --- > 11.3 34.5 41.9 10.4 35.4 39.3 4.8 35.1 39.0 3.9 > 35.0 38.4 5.3 35.2 44.9 12.7 32.9 43.9 12.6 32.8 3961,3964c3961,3964 < 30.4 34.2 2.6 39.1 33.9 2.5 38.2 33.4 2.5 39.6 < 37.6 5.1 43.4 37.7 6.0 43.0 38.1 5.1 44.1 33.7 < 5.6 42.1 33.1 6.0 41.5 34.6 5.9 41.8 35.9 6.2 < 40.8 35.9 6.5 39.9 36.7 6.7 41.2 37.9 9.4 44.7 --- > 30.4 34.2 2.6 39.1 33.9 2.5 38.2 33.4 2.4 39.6 > 37.6 5.1 43.4 37.7 5.9 42.9 38.1 5.2 44.2 33.7 > 5.6 42.1 33.1 6.1 41.5 34.6 5.9 41.8 35.9 6.2 > 40.9 35.9 6.5 39.9 36.7 6.6 41.2 37.9 9.4 44.7 3966,3970c3966,3970 < 8.2 46.2 39.5 6.8 45.9 37.4 14.6 41.4 36.9 14.0 < 40.8 37.4 15.4 40.9 48.3 10.3 30.4 48.9 10.3 31.1 < 47.6 11.0 30.7 40.0 14.9 41.3 40.1 15.8 41.4 39.1 < 14.7 41.4 50.4 11.0 32.0 51.1 10.5 31.6 50.6 10.8 < 33.0 48.6 6.8 32.4 47.9 6.9 31.7 48.4 7.4 33.1 --- > 8.2 46.2 39.5 6.8 45.8 37.4 14.6 41.4 36.9 14.0 > 40.8 37.5 15.4 40.9 48.3 10.3 30.4 48.9 10.3 31.1 > 47.6 10.9 30.7 40.0 14.9 41.3 40.1 15.8 41.4 39.1 > 14.7 41.5 50.4 11.0 32.0 51.1 10.5 31.6 50.6 10.8 > 33.0 48.6 6.8 32.4 48.0 6.8 31.7 48.3 7.5 33.0 3972,3975c3972,3975 < 16.4 44.6 41.7 16.6 44.5 40.7 15.4 44.4 42.6 14.2 < 40.8 41.7 14.2 40.7 43.0 13.3 40.5 53.0 21.7 42.6 < 53.1 20.9 42.1 53.4 22.4 42.1 50.1 23.4 39.1 49.8 < 23.0 38.2 49.8 22.7 39.7 47.4 25.5 42.1 48.1 25.2 --- > 16.4 44.6 41.7 16.6 44.5 40.8 15.4 44.4 42.6 14.2 > 40.8 41.7 14.1 40.6 43.0 13.3 40.5 53.0 21.7 42.6 > 53.0 20.9 42.1 53.3 22.4 42.0 50.1 23.4 39.1 49.8 > 23.0 38.2 49.9 22.7 39.7 47.4 25.5 42.1 48.1 25.2 3977,3978c3977,3978 < 51.1 24.5 34.4 51.4 24.6 47.0 51.1 25.4 46.9 52.0 < 24.6 47.8 50.5 21.8 43.2 51.3 21.8 42.8 50.6 21.0 --- > 51.1 24.5 34.4 51.4 24.5 47.0 51.0 25.4 46.9 51.9 > 24.6 47.8 50.5 21.8 43.2 51.3 21.8 42.7 50.6 21.0 3980,3981c3980,3981 < 52.1 21.4 34.9 52.3 20.9 35.7 52.2 20.9 34.2 54.1 < 21.0 38.4 54.0 20.8 39.3 55.1 20.9 38.3 53.6 16.1 --- > 52.1 21.4 34.9 52.3 20.9 35.7 52.2 20.8 34.2 54.1 > 21.0 38.4 54.0 20.9 39.4 55.1 20.9 38.3 53.6 16.1 3983,3985c3983,3985 < 48.4 21.4 41.2 49.9 21.6 41.6 53.7 18.3 34.0 53.7 < 18.5 35.0 53.3 19.1 33.6 47.0 21.3 42.3 47.2 21.3 < 43.2 46.5 22.1 42.1 52.9 31.0 37.8 52.7 32.0 37.8 --- > 48.4 21.4 41.2 49.9 21.6 41.6 53.7 18.3 34.0 53.8 > 18.4 35.0 53.3 19.1 33.7 47.0 21.3 42.3 47.2 21.3 > 43.2 46.6 22.1 42.1 52.9 31.0 37.8 52.7 32.0 37.8 3988,3989c3988,3989 < 43.6 52.9 19.6 36.5 53.4 20.0 37.2 52.4 18.9 37.0 < 46.8 18.7 41.7 46.0 18.8 41.2 47.0 19.6 41.9 48.3 --- > 43.6 52.9 19.6 36.5 53.5 20.0 37.2 52.5 18.9 37.0 > 46.8 18.7 41.7 46.0 18.8 41.2 47.1 19.6 41.9 48.3 3991c3991 < 44.3 52.5 23.4 44.3 51.8 24.4 45.2 46.0 17.6 43.9 --- > 44.3 52.5 23.4 44.4 51.7 24.4 45.2 46.0 17.6 43.9 3993,3994c3993,3994 < 27.9 37.0 53.9 27.7 35.5 47.6 23.5 36.8 47.9 24.4 < 36.6 48.5 23.1 37.0 49.7 27.2 38.4 50.0 28.1 38.3 --- > 27.9 37.0 53.9 27.8 35.5 47.6 23.5 36.8 47.8 24.4 > 36.7 48.5 23.1 37.1 49.7 27.2 38.4 50.0 28.1 38.3 3996,4005c3996,4005 < 18.3 47.4 50.5 27.9 44.0 50.4 27.7 43.0 50.0 28.7 < 44.1 46.1 22.6 38.8 46.8 23.0 38.3 46.2 21.7 38.9 < 55.0 15.2 38.9 54.4 14.9 38.2 55.9 15.3 38.5 53.3 < 12.7 42.2 54.1 12.7 41.7 53.5 12.6 43.1 51.0 14.5 < 39.3 51.7 14.4 38.6 51.2 13.7 39.8 50.7 16.5 34.2 < 50.1 17.3 34.1 50.7 16.1 33.4 53.7 11.4 37.1 53.6 < 10.7 36.4 53.3 11.0 37.9 54.7 22.0 30.9 53.9 22.4 < 31.3 54.6 21.1 31.0 54.3 23.0 35.7 53.6 22.5 35.4 < 54.8 23.3 35.0 46.1 19.9 38.6 45.8 19.5 37.7 45.5 < 19.5 39.2 53.4 19.6 40.7 53.7 18.7 40.6 52.5 19.6 --- > 18.3 47.5 50.5 27.9 43.9 50.3 27.7 43.0 49.9 28.7 > 44.1 46.1 22.6 38.8 46.8 23.0 38.4 46.2 21.7 38.9 > 55.0 15.2 38.9 54.5 14.9 38.2 55.9 15.3 38.5 53.3 > 12.7 42.2 54.1 12.7 41.7 53.5 12.7 43.1 51.0 14.5 > 39.3 51.7 14.4 38.6 51.3 13.7 39.8 50.7 16.5 34.2 > 50.1 17.3 34.1 50.7 16.1 33.4 53.6 11.4 37.1 53.6 > 10.8 36.4 53.3 10.9 37.9 54.7 22.0 30.9 53.9 22.4 > 31.3 54.6 21.1 31.0 54.2 23.0 35.7 53.6 22.4 35.4 > 54.9 23.2 35.0 46.1 19.9 38.6 45.8 19.5 37.8 45.5 > 19.5 39.2 53.4 19.6 40.7 53.7 18.7 40.5 52.5 19.6 4007,4011c4007,4011 < 51.9 17.7 38.3 51.5 18.3 39.0 52.4 17.1 38.8 53.8 < 28.4 40.5 54.0 28.6 39.6 53.9 27.4 40.6 50.8 17.0 < 44.0 51.6 16.5 43.8 50.3 16.9 43.2 51.5 25.5 39.2 < 52.3 25.0 39.0 50.9 24.8 39.4 48.5 19.7 36.3 47.5 < 19.9 36.3 48.6 19.2 35.5 48.8 15.7 40.0 48.6 16.5 --- > 51.9 17.8 38.4 51.5 18.3 39.0 52.4 17.1 38.8 53.8 > 28.4 40.5 54.0 28.6 39.6 53.9 27.4 40.5 50.8 17.0 > 44.0 51.7 16.5 43.8 50.3 16.8 43.2 51.5 25.5 39.2 > 52.3 25.0 39.1 50.9 24.8 39.4 48.5 19.7 36.3 47.5 > 19.9 36.4 48.5 19.1 35.6 48.8 15.7 40.0 48.6 16.5 4013,4015c4013,4015 < 48.7 15.8 46.1 53.4 25.8 42.3 53.2 25.5 43.3 52.6 < 26.3 42.1 56.5 30.0 35.9 56.2 29.2 35.4 55.9 30.7 < 35.5 49.3 20.7 46.4 48.9 20.0 46.9 49.9 20.3 45.8 --- > 48.7 15.8 46.1 53.4 25.8 42.3 53.2 25.6 43.3 52.6 > 26.3 42.1 56.5 30.0 35.9 56.1 29.2 35.5 55.9 30.7 > 35.6 49.3 20.7 46.4 48.8 20.0 46.9 49.9 20.3 45.8 4019c4019 < 42.7 21.8 39.8 41.5 22.2 40.5 47.3 15.5 44.8 47.6 --- > 42.8 21.8 39.8 41.5 22.2 40.6 47.3 15.5 44.8 47.6 4021,4033c4021,4033 < 45.2 53.9 30.6 43.9 54.7 29.1 38.0 54.2 29.9 37.8 < 55.6 29.3 37.7 53.5 16.9 40.4 53.2 16.3 41.1 54.3 < 16.4 40.0 51.0 27.2 46.5 51.8 27.9 46.6 50.7 27.5 < 45.6 46.3 26.3 44.4 46.4 25.4 44.8 46.0 26.8 45.2 < 50.8 29.7 38.7 50.0 30.1 38.4 50.9 30.1 39.6 42.3 < 18.3 42.5 42.9 17.6 42.9 41.6 17.8 42.2 54.0 32.7 < 46.3 53.9 33.3 47.1 55.0 32.6 46.2 50.9 15.2 48.6 < 50.3 15.4 47.9 51.8 15.4 48.2 45.7 18.7 36.0 46.3 < 18.0 36.0 44.9 18.3 35.9 49.2 17.6 41.8 48.3 17.9 < 41.8 49.2 16.8 41.3 47.5 16.6 36.0 47.0 15.8 36.2 < 48.3 16.5 36.4 50.0 16.2 36.8 50.4 16.4 35.9 50.6 < 16.7 37.4 52.7 14.8 34.6 53.3 15.3 34.0 52.0 15.4 < 34.8 50.9 19.3 40.3 50.5 18.8 40.9 50.3 20.1 40.2 --- > 45.2 53.9 30.6 43.9 54.7 29.1 38.0 54.3 29.9 37.7 > 55.6 29.2 37.7 53.5 16.9 40.4 53.2 16.3 41.1 54.3 > 16.5 40.1 51.0 27.2 46.5 51.7 27.9 46.6 50.6 27.5 > 45.7 46.3 26.3 44.4 46.3 25.4 44.8 45.9 26.8 45.1 > 50.8 29.7 38.7 50.0 30.0 38.4 50.9 30.0 39.6 42.3 > 18.3 42.5 42.9 17.7 42.8 41.6 17.8 42.1 54.0 32.7 > 46.3 53.9 33.2 47.1 55.0 32.6 46.2 50.9 15.2 48.6 > 50.3 15.4 47.9 51.8 15.4 48.2 45.7 18.7 36.0 46.4 > 18.0 36.0 44.9 18.3 36.0 49.2 17.6 41.8 48.3 17.8 > 41.8 49.3 16.8 41.3 47.5 16.6 36.0 47.0 15.8 36.1 > 48.4 16.5 36.4 50.0 16.2 36.8 50.3 16.4 35.9 50.6 > 16.7 37.4 52.8 14.8 34.6 53.3 15.4 34.0 52.0 15.4 > 34.9 50.9 19.3 40.3 50.5 18.8 40.9 50.3 20.1 40.2 4035,4038c4035,4038 < 20.0 44.6 44.5 20.5 44.0 45.7 20.6 45.0 53.1 14.1 < 37.4 53.4 13.2 37.3 53.4 14.5 36.6 55.3 13.1 40.5 < 55.2 13.9 40.0 56.1 12.7 40.2 45.8 18.5 47.1 45.7 < 18.8 48.0 45.5 19.1 46.5 53.3 28.7 46.7 54.0 28.4 --- > 20.0 44.6 44.6 20.6 44.0 45.7 20.6 45.0 53.1 14.1 > 37.4 53.5 13.2 37.3 53.4 14.6 36.6 55.3 13.1 40.5 > 55.2 13.9 40.0 56.1 12.7 40.2 45.8 18.5 47.1 45.8 > 18.9 48.0 45.5 19.2 46.5 53.3 28.7 46.7 54.0 28.5 4043,4045c4043,4045 < 51.1 26.1 35.2 50.9 26.5 34.4 51.9 26.6 35.5 49.9 < 22.0 36.7 49.3 21.2 36.8 50.4 21.8 35.9 48.4 18.2 < 33.9 47.8 18.2 33.2 48.0 17.5 34.5 55.4 27.9 34.5 --- > 51.1 26.1 35.2 51.0 26.6 34.4 51.9 26.5 35.6 49.9 > 22.0 36.7 49.3 21.3 36.9 50.4 21.7 36.0 48.5 18.2 > 33.9 47.8 18.2 33.2 48.1 17.6 34.5 55.4 27.9 34.5 4048,4051c4048,4051 < 40.2 43.7 19.0 41.1 47.2 21.5 44.9 47.2 22.4 45.3 < 48.0 21.1 45.4 55.9 12.7 36.4 55.2 12.1 36.8 56.6 < 12.5 37.0 52.8 14.0 30.7 53.0 14.7 31.3 53.5 13.3 < 30.8 43.8 21.7 42.7 43.2 21.8 41.9 44.4 22.4 42.5 --- > 40.3 43.8 19.0 41.1 47.2 21.5 44.9 47.2 22.4 45.3 > 48.0 21.1 45.4 55.9 12.7 36.4 55.2 12.0 36.7 56.6 > 12.5 37.0 52.8 14.0 30.7 53.0 14.7 31.3 53.4 13.3 > 30.8 43.8 21.7 42.7 43.1 21.8 42.0 44.4 22.4 42.5 4053,4062c4053,4062 < 24.1 45.7 48.0 24.3 45.1 47.7 24.0 46.6 49.1 23.2 < 47.6 49.9 23.7 47.6 49.3 22.5 47.0 48.5 29.8 41.6 < 48.2 28.9 41.3 48.2 30.4 41.0 51.0 31.1 41.2 51.0 < 31.9 41.7 50.2 30.7 41.4 44.0 16.4 46.8 44.8 16.9 < 46.9 43.4 16.7 47.5 54.1 12.4 34.3 53.6 13.3 34.2 < 54.7 12.5 34.9 51.2 32.9 46.0 52.2 32.9 46.1 50.9 < 32.2 46.6 53.4 30.6 42.1 52.6 30.9 41.6 53.7 29.9 < 41.6 53.0 36.4 41.6 53.6 35.7 41.9 53.3 37.2 41.9 < 52.4 33.6 43.5 51.9 33.2 44.2 51.8 33.6 42.7 54.7 < 34.6 42.6 55.2 34.0 42.2 54.0 34.2 43.0 52.2 7.8 --- > 24.1 45.7 48.0 24.3 45.2 47.6 24.0 46.6 49.1 23.2 > 47.6 49.8 23.8 47.6 49.3 22.5 46.9 48.5 29.8 41.6 > 48.2 28.9 41.4 48.2 30.4 41.0 51.0 31.1 41.2 51.0 > 31.9 41.7 50.1 30.7 41.4 44.0 16.4 46.8 44.8 16.9 > 46.9 43.5 16.7 47.6 54.0 12.4 34.2 53.6 13.3 34.2 > 54.7 12.4 35.0 51.2 32.9 46.0 52.2 32.9 46.1 50.9 > 32.2 46.6 53.4 30.6 42.1 52.6 30.9 41.6 53.8 29.9 > 41.6 53.0 36.4 41.6 53.6 35.7 42.0 53.3 37.2 41.9 > 52.4 33.6 43.5 51.9 33.2 44.2 51.8 33.5 42.7 54.7 > 34.6 42.6 55.2 34.0 42.1 54.0 34.2 43.0 52.2 7.8 4064c4064 < 50.5 11.8 29.2 49.5 10.7 28.9 49.8 6.3 26.9 49.7 --- > 50.5 11.8 29.2 49.6 10.6 28.9 49.8 6.3 26.9 49.7 4066,4069c4066,4069 < 33.7 55.9 9.7 32.9 47.4 6.7 28.0 48.2 6.5 27.6 < 47.0 7.3 27.4 51.1 8.3 28.2 51.1 9.3 28.2 51.3 < 8.0 29.1 52.7 9.4 31.4 53.5 9.4 32.0 52.4 8.5 < 31.3 52.3 14.0 28.0 52.6 14.2 28.8 52.3 14.8 27.5 --- > 33.7 55.9 9.7 33.0 47.4 6.7 28.0 48.2 6.4 27.7 > 47.0 7.3 27.4 51.1 8.3 28.2 51.2 9.3 28.2 51.3 > 8.0 29.1 52.7 9.5 31.4 53.5 9.4 32.0 52.4 8.6 > 31.4 52.3 14.0 28.0 52.6 14.2 28.8 52.3 14.8 27.5 4071,4072c4071,4072 < 11.5 29.1 56.3 11.8 28.2 55.4 11.6 29.4 4.7 21.8 < 45.7 4.9 21.5 44.9 4.4 22.8 45.6 6.8 20.1 49.2 --- > 11.5 29.1 56.3 11.9 28.2 55.4 11.6 29.4 4.6 21.8 > 45.7 5.0 21.5 44.9 4.5 22.8 45.6 6.8 20.1 49.2 4074,4082c4074,4082 < 19.8 48.1 4.9 20.5 46.9 7.4 19.8 44.0 7.7 19.1 < 44.6 8.3 20.3 43.8 6.2 17.0 44.0 6.7 17.2 44.8 < 5.4 17.5 44.1 8.0 17.9 45.9 8.5 17.2 46.3 8.1 < 18.7 46.5 16.4 27.8 55.2 17.0 27.5 54.5 16.3 28.7 < 55.0 8.6 30.9 51.5 8.1 30.2 51.0 9.4 30.5 51.8 < 13.5 33.7 47.6 12.9 34.1 46.9 14.2 34.4 47.6 7.8 < 31.2 46.8 8.2 30.4 47.3 8.1 31.9 47.3 9.2 27.2 < 45.7 9.5 26.7 45.0 8.2 27.2 45.6 16.0 25.5 51.9 < 16.3 24.6 51.9 16.6 26.0 52.6 14.7 31.4 47.8 14.1 --- > 19.8 48.1 4.9 20.4 46.8 7.4 19.8 44.0 7.7 19.1 > 44.5 8.3 20.3 43.7 6.2 17.0 44.0 6.6 17.2 44.8 > 5.4 17.5 44.0 8.0 17.9 45.9 8.5 17.3 46.4 8.1 > 18.7 46.4 16.4 27.8 55.2 16.9 27.4 54.5 16.3 28.7 > 55.0 8.6 30.9 51.5 8.1 30.2 51.1 9.4 30.5 51.8 > 13.5 33.7 47.6 12.8 34.1 47.0 14.2 34.4 47.7 7.8 > 31.2 46.8 8.1 30.4 47.3 8.1 31.9 47.3 9.2 27.2 > 45.7 9.6 26.7 45.0 8.2 27.2 45.6 16.0 25.5 51.9 > 16.4 24.7 51.9 16.6 26.0 52.6 14.7 31.4 47.8 14.1 4084,4088c4084,4088 < 54.5 19.7 27.0 54.4 9.3 28.9 47.9 9.8 28.3 48.5 < 9.2 28.5 47.1 12.2 27.2 51.3 12.2 26.7 52.0 13.0 < 27.4 50.9 12.3 23.9 46.1 11.8 24.6 46.6 12.7 24.3 < 45.4 11.2 26.1 47.1 10.8 26.1 48.0 10.6 26.5 46.5 < 9.6 38.1 51.1 10.3 38.6 51.4 8.8 38.3 51.6 16.8 --- > 54.5 19.7 27.0 54.4 9.3 28.9 47.9 9.8 28.3 48.4 > 9.2 28.5 47.1 12.2 27.2 51.3 12.3 26.7 52.0 13.1 > 27.4 51.0 12.3 23.9 46.1 11.7 24.6 46.6 12.6 24.3 > 45.4 11.2 26.0 47.1 10.8 26.1 48.0 10.6 26.6 46.5 > 9.6 38.1 51.1 10.3 38.6 51.5 8.8 38.3 51.7 16.8 4090,4092c4090,4092 < 54.6 15.4 31.2 54.4 16.7 31.2 55.2 19.6 32.0 51.4 < 18.7 32.2 51.3 19.8 31.8 52.3 11.1 29.7 51.6 11.5 < 30.2 50.9 11.4 28.8 51.5 10.1 26.9 49.5 10.8 26.9 --- > 54.6 15.5 31.2 54.4 16.7 31.2 55.2 19.6 32.0 51.4 > 18.7 32.2 51.3 19.8 31.8 52.3 11.1 29.7 51.6 11.4 > 30.3 50.9 11.4 28.8 51.4 10.1 26.9 49.5 10.9 26.9 4094,4098c4094,4098 < 17.5 30.8 57.4 26.1 28.3 51.9 25.3 27.8 51.7 26.2 < 28.1 52.8 11.4 33.4 49.4 11.4 34.1 50.0 12.2 33.6 < 48.8 5.2 30.9 49.5 5.6 31.8 49.7 5.9 30.3 49.4 < 3.8 28.6 50.2 4.3 29.5 50.2 4.5 28.0 49.9 13.3 < 27.6 46.6 13.0 28.5 46.7 12.6 27.1 46.9 11.4 22.8 --- > 17.5 30.8 57.4 26.1 28.3 51.9 25.3 27.8 51.6 26.2 > 28.0 52.8 11.4 33.4 49.4 11.4 34.0 50.0 12.2 33.6 > 48.8 5.2 30.9 49.5 5.6 31.8 49.6 5.9 30.3 49.4 > 3.8 28.6 50.2 4.3 29.5 50.3 4.5 28.0 49.9 13.3 > 27.6 46.6 13.0 28.5 46.7 12.6 27.1 46.8 11.4 22.8 4100,4109c4100,4109 < 17.6 29.5 47.9 18.8 28.5 48.1 14.9 25.3 48.2 14.9 < 25.9 48.9 15.6 25.7 47.6 12.5 30.9 49.6 12.3 30.5 < 48.8 12.2 31.8 49.5 17.9 29.6 52.7 17.3 29.9 53.3 < 18.8 29.9 53.0 18.1 27.0 53.0 17.9 27.9 52.8 18.9 < 26.8 52.5 8.2 23.6 46.5 7.4 24.1 46.6 8.2 23.4 < 45.6 11.2 29.5 42.9 10.3 29.2 42.7 11.8 28.7 42.8 < 14.7 37.6 45.7 13.8 37.5 46.2 14.7 38.6 45.6 14.6 < 27.1 50.3 15.2 27.9 50.2 15.1 26.5 50.9 11.8 30.0 < 47.3 10.8 29.7 47.3 11.8 30.4 46.5 17.0 32.6 51.0 < 16.1 32.1 51.1 16.8 33.5 51.4 16.9 23.0 52.0 16.6 --- > 17.6 29.5 47.9 18.7 28.5 48.2 14.9 25.3 48.2 15.0 > 25.9 48.9 15.6 25.7 47.6 12.4 30.9 49.6 12.3 30.5 > 48.8 12.2 31.9 49.5 17.9 29.6 52.7 17.3 29.9 53.3 > 18.8 29.9 53.0 18.1 27.0 53.0 17.8 27.9 52.8 18.9 > 26.9 52.5 8.2 23.6 46.5 7.3 24.1 46.6 8.2 23.3 > 45.6 11.2 29.5 42.9 10.4 29.2 42.6 11.8 28.7 42.8 > 14.7 37.6 45.7 13.9 37.4 46.2 14.7 38.6 45.6 14.6 > 27.1 50.3 15.2 27.8 50.1 15.1 26.5 50.9 11.8 30.0 > 47.3 10.8 29.7 47.3 11.9 30.4 46.5 17.0 32.6 51.0 > 16.1 32.2 51.1 16.8 33.5 51.4 16.9 23.0 52.0 16.7 4112c4112 < 12.6 31.8 44.7 9.4 24.3 50.5 9.4 24.2 51.4 10.2 --- > 12.6 31.8 44.7 9.4 24.3 50.5 9.4 24.2 51.4 10.3 4114,4125c4114,4125 < 55.3 20.3 29.5 50.3 19.7 29.6 49.6 20.4 30.5 50.6 < 20.2 30.7 53.7 20.2 30.9 54.7 21.1 30.3 53.6 11.6 < 31.8 53.3 11.4 31.0 53.0 10.8 32.3 53.1 6.0 27.0 < 49.4 5.6 26.1 49.6 6.2 26.9 48.5 20.4 30.9 56.5 < 20.8 31.7 56.6 21.0 30.3 56.9 12.3 37.6 47.0 12.6 < 37.2 47.8 11.9 38.5 47.2 14.2 32.3 53.8 13.3 32.1 < 53.8 14.5 31.9 52.9 16.4 29.8 43.9 16.2 29.2 43.2 < 15.9 30.6 43.7 8.3 23.4 43.8 7.8 23.6 43.0 8.7 < 22.5 43.6 11.2 35.6 50.9 10.7 36.4 51.1 12.1 35.9 < 51.1 22.8 28.0 55.3 22.8 28.8 54.8 22.1 27.5 54.8 < 14.7 31.1 51.4 13.9 30.9 50.9 15.2 30.2 51.2 20.3 < 27.0 51.5 20.3 27.9 51.1 20.7 27.2 52.4 17.1 32.5 --- > 55.3 20.3 29.5 50.3 19.7 29.6 49.6 20.5 30.4 50.5 > 20.2 30.7 53.7 20.2 30.9 54.7 21.0 30.3 53.6 11.6 > 31.8 53.3 11.4 30.9 53.0 10.8 32.3 53.1 6.0 27.0 > 49.4 5.6 26.2 49.6 6.2 27.0 48.5 20.4 30.9 56.5 > 20.8 31.7 56.6 21.0 30.3 56.9 12.3 37.6 47.0 12.5 > 37.2 47.8 11.9 38.5 47.3 14.2 32.3 53.8 13.3 32.1 > 53.8 14.6 31.9 53.0 16.4 29.8 43.9 16.2 29.2 43.2 > 15.9 30.6 43.7 8.3 23.4 43.8 7.8 23.7 43.0 8.7 > 22.5 43.6 11.2 35.6 50.9 10.8 36.5 51.1 12.1 35.8 > 51.0 22.8 28.0 55.3 22.8 28.9 54.8 22.2 27.5 54.7 > 14.7 31.1 51.4 13.9 30.9 50.9 15.2 30.2 51.3 20.3 > 27.0 51.5 20.4 27.9 51.1 20.7 27.2 52.4 17.1 32.5 4127,4130c4127,4130 < 13.7 36.2 52.7 14.4 37.3 51.9 13.7 36.8 49.1 14.2 < 36.2 48.8 13.7 36.7 50.1 4.5 24.6 49.3 4.5 23.8 < 49.7 3.7 24.7 48.9 13.5 37.1 55.7 12.8 36.7 56.1 < 13.8 36.5 55.0 18.3 34.0 55.7 18.8 34.4 56.4 17.9 --- > 13.7 36.2 52.7 14.5 37.2 51.9 13.7 36.8 49.1 14.2 > 36.1 48.8 13.7 36.7 50.1 4.5 24.6 49.3 4.6 23.7 > 49.6 3.7 24.7 48.9 13.5 37.1 55.7 12.8 36.7 56.1 > 13.8 36.6 55.0 18.3 33.9 55.7 18.9 34.4 56.3 17.9 4132c4132 < 53.3 7.7 22.7 49.0 7.9 23.0 48.2 8.3 23.1 49.6 --- > 53.3 7.7 22.7 49.0 8.0 23.0 48.2 8.3 23.1 49.6 4136c4136 < 17.5 35.8 49.2 17.7 37.2 49.9 23.0 29.4 50.6 23.2 --- > 17.5 35.8 49.3 17.7 37.2 49.9 23.1 29.4 50.6 23.1 4138,4141c4138,4141 < 47.0 18.1 34.2 48.0 19.9 31.8 47.6 19.9 31.6 46.7 < 19.3 31.2 48.1 8.9 33.3 48.4 8.9 34.1 47.9 9.8 < 33.2 48.7 22.9 29.9 53.3 23.7 30.3 53.5 22.9 29.6 < 52.4 7.3 29.3 49.7 7.0 28.4 49.7 8.1 29.3 49.3 --- > 47.0 18.1 34.2 48.1 19.9 31.8 47.6 19.9 31.6 46.7 > 19.3 31.2 48.0 8.9 33.3 48.4 8.9 34.1 47.9 9.8 > 33.2 48.7 22.9 29.9 53.3 23.7 30.3 53.4 22.9 29.6 > 52.4 7.3 29.3 49.7 7.0 28.4 49.7 8.1 29.4 49.3 4145,4149c4145,4149 < 17.5 34.3 44.7 18.4 35.5 44.3 21.9 28.8 57.7 21.1 < 28.3 57.6 22.4 28.5 56.9 12.2 26.9 43.2 12.8 26.4 < 43.7 11.4 26.4 43.1 26.4 28.5 54.5 27.3 28.6 54.9 < 26.0 27.9 55.1 25.1 26.5 55.9 24.3 26.9 55.5 24.9 < 26.3 56.8 9.7 25.7 43.7 9.3 25.0 43.9 9.7 25.8 --- > 17.6 34.3 44.6 18.4 35.5 44.3 21.9 28.8 57.7 21.1 > 28.3 57.6 22.5 28.5 56.9 12.2 26.9 43.2 12.8 26.4 > 43.7 11.4 26.3 43.0 26.4 28.5 54.5 27.3 28.6 54.9 > 25.9 28.0 55.1 25.1 26.5 55.9 24.4 26.9 55.5 24.8 > 26.3 56.8 9.7 25.8 43.7 9.2 25.0 43.9 9.7 25.8 4153,4154c4153,4154 < 52.0 19.8 23.7 52.9 18.7 23.0 52.0 21.0 24.3 54.2 < 21.7 24.0 53.6 21.2 23.8 55.0 15.4 32.3 43.7 16.0 --- > 52.0 19.8 23.7 52.9 18.8 22.9 52.0 21.0 24.3 54.2 > 21.6 24.0 53.5 21.1 23.7 55.0 15.4 32.3 43.7 16.1 4156,4157c4156,4157 < 49.7 17.0 29.3 51.2 20.4 24.8 49.9 20.1 24.2 50.5 < 20.5 25.6 50.4 24.0 26.6 52.0 23.7 25.8 52.4 23.6 --- > 49.7 17.0 29.3 51.2 20.4 24.8 49.9 20.0 24.2 50.5 > 20.6 25.6 50.5 24.0 26.6 52.0 23.7 25.8 52.4 23.7 4160,4162c4160,4162 < 9.2 19.6 47.7 9.4 20.5 47.5 10.1 19.2 47.8 18.5 < 44.4 52.8 18.3 44.3 51.9 18.8 43.6 53.1 24.9 49.1 < 46.8 24.8 49.5 46.0 24.7 49.8 47.4 19.0 46.4 47.0 --- > 9.2 19.6 47.7 9.3 20.5 47.5 10.1 19.3 47.9 18.5 > 44.4 52.8 18.4 44.3 51.9 18.9 43.6 53.1 24.9 49.1 > 46.8 24.8 49.5 46.0 24.8 49.8 47.5 19.0 46.4 47.0 4164c4164 < 41.8 45.1 19.0 42.5 45.7 26.2 41.0 53.2 26.4 40.2 --- > 41.8 45.2 19.0 42.5 45.6 26.2 41.0 53.2 26.4 40.1 4166,4172c4166,4172 < 26.0 47.9 47.8 20.7 44.3 47.6 20.5 43.8 48.4 20.3 < 43.8 46.9 22.3 43.2 51.4 21.9 42.7 52.2 23.1 42.8 < 51.3 23.1 39.3 46.7 22.5 40.0 47.0 23.6 39.7 46.0 < 17.7 43.9 55.3 16.8 44.3 55.7 17.9 44.6 54.7 21.4 < 41.1 47.6 21.1 41.3 48.5 20.8 41.5 47.1 27.8 42.9 < 49.1 28.6 42.6 48.6 27.9 43.9 48.9 25.4 36.2 55.1 < 24.9 36.9 55.6 25.4 36.6 54.2 21.8 45.8 51.2 22.7 --- > 26.0 48.0 47.9 20.7 44.3 47.6 20.5 43.9 48.4 20.3 > 43.9 46.9 22.3 43.2 51.4 21.9 42.7 52.2 23.1 42.7 > 51.2 23.1 39.3 46.7 22.4 40.0 47.0 23.6 39.7 46.0 > 17.7 43.9 55.3 16.8 44.2 55.7 17.9 44.6 54.7 21.4 > 41.1 47.6 21.1 41.2 48.5 20.8 41.4 47.1 27.8 42.9 > 49.1 28.5 42.6 48.6 27.8 43.9 48.9 25.4 36.2 55.1 > 25.0 36.9 55.6 25.5 36.6 54.2 21.8 45.8 51.2 22.7 4174c4174 < 50.3 19.7 42.0 50.1 15.2 39.4 55.3 14.6 38.6 55.3 --- > 50.3 19.6 42.0 50.1 15.2 39.4 55.3 14.6 38.6 55.2 4176,4177c4176,4177 < 41.3 51.0 22.6 48.9 48.5 23.1 49.7 48.9 23.2 48.7 < 47.8 16.1 46.0 49.5 16.6 46.8 49.7 16.7 45.3 49.7 --- > 41.2 51.0 22.6 48.9 48.5 23.2 49.6 49.0 23.2 48.7 > 47.8 16.1 46.0 49.5 16.6 46.7 49.8 16.6 45.2 49.8 4180,4185c4180,4185 < 46.8 24.5 44.0 47.2 24.9 42.6 47.6 23.0 38.0 51.0 < 22.4 37.3 50.6 23.6 38.2 50.4 24.1 34.0 56.0 24.0 < 33.9 55.1 24.7 34.8 56.2 21.5 34.6 54.2 22.2 34.0 < 53.8 21.1 34.1 54.9 30.6 45.5 49.7 30.0 45.6 49.0 < 31.3 45.0 49.4 25.3 41.8 49.1 25.2 42.0 50.0 26.3 < 42.0 49.0 24.1 46.9 49.7 23.9 46.2 49.0 23.5 47.6 --- > 46.8 24.5 44.0 47.2 24.9 42.5 47.6 23.0 38.0 51.0 > 22.4 37.3 50.6 23.7 38.2 50.4 24.1 34.0 56.0 24.1 > 34.0 55.1 24.7 34.8 56.2 21.5 34.6 54.2 22.2 34.0 > 53.8 21.1 34.1 54.9 30.6 45.5 49.7 30.1 45.7 48.9 > 31.3 45.0 49.4 25.3 41.8 49.1 25.2 41.9 50.0 26.3 > 41.9 49.0 24.1 46.9 49.7 23.9 46.2 49.0 23.5 47.6 4187,4188c4187,4188 < 18.6 39.1 46.8 17.8 39.5 46.9 18.7 38.8 45.9 20.5 < 33.8 49.5 20.6 33.1 48.8 20.3 33.3 50.3 21.8 44.9 --- > 18.6 39.1 46.9 17.8 39.5 46.9 18.7 38.8 46.0 20.5 > 33.8 49.5 20.7 33.2 48.8 20.3 33.3 50.3 21.8 44.9 4191,4196c4191,4196 < 40.9 54.2 24.7 40.7 54.4 24.9 42.7 51.6 25.4 43.5 < 51.6 25.4 42.1 52.3 23.2 45.3 47.6 22.3 44.9 47.8 < 23.1 45.6 46.7 27.2 38.7 52.0 26.3 38.3 52.2 27.3 < 38.4 51.0 27.8 31.8 53.0 28.0 30.9 52.7 28.3 32.4 < 52.5 14.0 42.4 52.2 13.6 42.1 51.3 13.3 42.8 52.7 < 21.6 41.4 53.4 21.4 40.6 52.9 20.7 41.6 53.8 23.1 --- > 40.9 54.1 24.7 40.7 54.4 24.9 42.7 51.6 25.4 43.5 > 51.6 25.4 42.1 52.3 23.2 45.3 47.6 22.3 44.8 47.8 > 23.2 45.6 46.7 27.2 38.7 52.0 26.3 38.4 52.2 27.3 > 38.4 51.1 27.7 31.8 53.0 28.0 30.9 52.7 28.3 32.4 > 52.5 14.0 42.4 52.2 13.7 42.2 51.3 13.3 42.8 52.6 > 21.6 41.4 53.4 21.4 40.6 52.9 20.7 41.5 53.8 23.1 4201c4201 < 51.5 19.1 46.1 52.3 16.0 42.2 49.4 15.0 42.2 49.4 --- > 51.4 19.1 46.1 52.3 16.0 42.2 49.4 15.0 42.2 49.5 4203,4204c4203,4204 < 38.0 52.2 23.5 55.8 49.0 24.1 56.1 49.6 22.7 56.4 < 49.1 28.2 45.3 44.1 27.7 44.8 43.5 27.9 46.2 44.1 --- > 38.0 52.1 23.5 55.8 49.0 24.1 56.1 49.6 22.7 56.4 > 49.1 28.2 45.3 44.1 27.6 44.8 43.5 27.9 46.2 44.1 4206,4224c4206,4224 < 37.0 52.5 25.3 36.3 51.8 24.3 37.4 52.2 26.1 46.8 < 51.9 25.4 46.8 51.3 26.5 45.9 51.8 20.9 39.0 52.4 < 21.0 38.4 53.2 21.7 38.9 51.9 30.3 41.9 52.0 30.0 < 42.8 51.7 30.5 41.9 52.9 28.3 49.4 48.6 29.1 49.0 < 48.9 27.7 48.7 48.5 27.5 34.7 54.2 27.4 33.8 54.4 < 27.0 35.2 54.8 13.2 41.0 49.9 13.9 40.3 49.7 12.5 < 40.7 49.4 18.0 39.5 55.0 17.1 39.6 55.2 18.0 38.8 < 54.3 15.0 39.1 49.3 14.3 38.4 49.3 15.5 38.9 50.2 < 19.0 38.3 49.4 19.1 38.6 48.5 18.8 39.1 49.9 19.9 < 35.4 57.6 19.8 35.4 58.5 19.6 36.2 57.3 21.5 33.3 < 56.6 22.4 33.6 56.6 21.0 33.9 57.1 21.0 37.5 46.4 < 21.9 37.9 46.5 20.4 38.3 46.6 24.5 39.0 49.0 24.6 < 40.0 48.9 24.1 38.7 48.2 19.1 41.9 54.2 18.9 40.9 < 54.4 18.5 42.4 54.8 21.5 37.3 54.4 21.6 36.4 54.3 < 22.2 37.5 55.0 23.7 38.1 56.0 23.6 38.8 55.3 23.5 < 38.5 56.8 20.9 36.4 49.9 20.6 35.7 49.4 20.3 37.2 < 49.8 23.7 33.1 53.5 23.9 33.3 52.6 24.2 32.3 53.7 < 26.7 51.6 49.3 27.4 52.1 49.8 27.2 50.7 49.2 30.6 < 48.2 49.2 30.9 48.1 48.3 30.8 47.3 49.6 19.8 48.8 --- > 37.0 52.5 25.3 36.3 51.8 24.3 37.5 52.2 26.1 46.8 > 51.9 25.4 46.7 51.3 26.5 45.9 51.8 20.9 39.0 52.4 > 21.0 38.4 53.2 21.7 38.9 52.0 30.3 41.9 52.0 30.1 > 42.8 51.7 30.5 41.9 52.9 28.3 49.4 48.6 29.1 48.9 > 48.8 27.6 48.7 48.4 27.5 34.7 54.2 27.4 33.8 54.5 > 27.0 35.2 54.8 13.2 40.9 49.9 13.9 40.4 49.6 12.5 > 40.7 49.3 18.0 39.5 55.0 17.1 39.6 55.2 18.0 38.8 > 54.3 15.0 39.1 49.3 14.3 38.4 49.4 15.5 38.9 50.1 > 19.0 38.3 49.4 19.1 38.6 48.5 18.7 39.1 49.9 19.9 > 35.4 57.6 19.8 35.4 58.5 19.5 36.2 57.3 21.5 33.3 > 56.6 22.3 33.6 56.6 21.0 33.9 57.1 21.0 37.5 46.4 > 21.9 37.9 46.5 20.5 38.3 46.6 24.5 39.0 49.0 24.6 > 40.0 48.8 24.2 38.7 48.2 19.1 41.9 54.2 18.9 40.9 > 54.3 18.5 42.3 54.8 21.5 37.3 54.4 21.6 36.4 54.3 > 22.2 37.6 55.0 23.7 38.1 56.0 23.5 38.7 55.3 23.4 > 38.5 56.8 20.9 36.4 49.9 20.6 35.7 49.4 20.4 37.2 > 49.8 23.7 33.1 53.5 23.9 33.4 52.6 24.2 32.3 53.6 > 26.7 51.6 49.3 27.4 52.1 49.8 27.1 50.7 49.2 30.6 > 48.2 49.2 30.9 48.1 48.3 30.8 47.4 49.7 19.8 48.8 4226,4230c4226,4230 < 17.1 43.4 49.8 18.6 43.5 49.9 16.2 40.4 47.4 15.5 < 40.3 46.7 15.9 39.8 48.1 25.4 31.0 54.0 25.6 30.1 < 54.3 26.2 31.3 53.6 23.5 50.6 45.2 22.6 50.5 44.8 < 23.4 51.5 45.7 24.2 51.2 48.4 25.1 51.2 48.6 23.9 < 52.0 48.2 28.9 50.7 43.6 28.9 50.2 44.4 29.6 51.3 --- > 17.1 43.4 49.8 18.6 43.4 49.9 16.2 40.4 47.4 15.5 > 40.3 46.7 16.0 39.8 48.1 25.4 31.0 54.0 25.6 30.1 > 54.4 26.3 31.3 53.7 23.5 50.6 45.2 22.6 50.4 44.8 > 23.3 51.5 45.6 24.2 51.1 48.4 25.2 51.2 48.5 24.0 > 52.1 48.2 28.9 50.7 43.6 28.9 50.2 44.4 29.6 51.3 4232c4232 < 30.3 34.4 54.2 29.4 34.5 54.0 30.8 35.0 53.7 20.3 --- > 30.3 34.4 54.2 29.4 34.5 53.9 30.9 34.9 53.7 20.3 4235c4235 < 25.2 33.8 51.1 24.8 32.4 50.6 20.5 36.7 43.0 21.4 --- > 25.2 33.8 51.0 24.8 32.4 50.6 20.5 36.7 43.0 21.4 4237c4237 < 49.6 27.9 35.1 49.1 26.5 34.9 51.5 27.1 35.3 51.0 --- > 49.6 27.8 35.1 49.2 26.5 34.9 51.5 27.1 35.4 51.0 4239,4241c4239,4241 < 38.4 48.7 29.9 38.4 52.5 30.1 39.0 53.2 29.0 38.7 < 52.3 27.2 47.8 44.1 27.6 48.2 44.9 26.5 48.3 43.9 < 27.1 44.2 51.4 27.2 43.7 50.6 27.9 44.4 51.8 30.8 --- > 38.4 48.8 29.9 38.4 52.5 30.1 38.9 53.2 29.0 38.7 > 52.3 27.2 47.8 44.1 27.6 48.2 44.9 26.4 48.3 44.0 > 27.1 44.2 51.4 27.2 43.7 50.6 28.0 44.4 51.8 30.8 4244,4247c4244,4247 < 28.6 45.4 47.2 27.8 46.1 48.3 19.8 35.3 45.8 20.3 < 36.1 46.1 20.4 34.6 46.0 25.3 30.7 50.6 24.6 30.3 < 50.2 25.8 30.0 50.9 30.7 54.6 43.3 30.7 54.8 44.2 < 30.9 53.7 43.3 32.7 56.2 42.0 32.3 55.6 42.5 32.3 --- > 28.5 45.4 47.2 27.8 46.1 48.3 19.8 35.3 45.8 20.3 > 36.1 46.2 20.3 34.6 46.0 25.3 30.7 50.6 24.6 30.3 > 50.1 25.9 30.0 50.9 30.7 54.6 43.3 30.7 54.8 44.2 > 31.0 53.7 43.3 32.7 56.2 42.0 32.3 55.6 42.5 32.3 4249,4275c4249,4275 < 43.6 34.0 49.9 46.2 34.0 50.5 46.8 34.5 50.3 45.4 < 16.9 4.7 42.7 17.2 4.3 41.9 16.5 5.5 42.4 9.1 < 8.5 39.8 8.5 8.3 39.1 8.9 7.9 40.5 13.4 11.3 < 35.0 13.0 11.6 34.2 14.1 12.0 35.1 8.4 8.2 35.8 < 8.6 7.6 35.0 8.6 9.0 35.5 9.4 5.5 31.2 9.0 < 6.3 30.9 8.7 4.8 31.2 16.4 3.2 39.5 16.3 2.3 < 39.6 17.3 3.4 39.8 14.4 8.9 34.5 13.7 8.3 34.5 < 14.1 9.8 34.8 20.7 3.4 42.2 20.5 2.5 42.1 20.0 < 3.9 41.8 9.8 6.3 33.9 9.9 5.5 34.3 9.3 6.1 < 33.1 12.2 5.2 36.8 12.1 6.1 37.1 12.8 4.8 37.3 < 11.8 4.5 32.4 11.6 4.4 33.3 11.0 4.9 32.0 9.6 < 15.2 37.8 9.9 16.1 38.1 8.8 15.0 38.3 16.4 3.9 < 34.5 17.2 4.2 34.1 15.7 3.9 33.8 16.3 7.2 41.8 < 15.5 7.6 41.4 16.4 7.8 42.6 19.3 8.8 38.5 18.4 < 9.1 38.4 19.3 8.1 39.1 11.8 8.1 39.6 11.9 8.2 < 38.7 10.9 8.1 39.8 10.9 4.1 34.9 11.3 4.6 35.6 < 11.0 3.2 35.2 17.8 8.4 43.7 18.6 8.3 43.3 17.8 < 7.8 44.5 26.0 5.8 39.7 25.7 5.0 39.4 26.2 5.7 < 40.7 11.2 10.8 36.5 11.1 11.5 37.1 12.0 10.9 36.0 < 5.1 8.6 36.7 5.3 9.6 36.5 5.8 8.4 37.3 6.6 < 12.3 38.6 6.8 13.2 38.6 7.3 11.9 39.0 14.7 4.4 < 32.4 15.0 5.2 32.1 13.8 4.5 32.6 18.9 7.6 34.9 < 18.0 7.5 34.5 19.5 7.0 34.4 15.2 2.1 36.3 14.8 < 2.9 36.8 15.8 2.5 35.7 12.2 8.3 36.9 11.9 8.0 < 36.0 11.9 9.2 37.0 18.6 7.1 40.5 17.8 7.3 40.9 < 19.3 7.4 41.0 18.8 4.4 40.4 18.9 5.3 40.5 19.4 < 4.2 39.7 11.8 6.3 29.9 10.9 5.9 30.0 12.4 5.6 --- > 43.6 34.0 49.9 46.1 34.0 50.6 46.8 34.5 50.2 45.4 > 16.9 4.7 42.7 17.2 4.3 41.9 16.4 5.5 42.4 9.1 > 8.5 39.8 8.5 8.4 39.1 8.9 7.8 40.4 13.4 11.4 > 35.0 13.1 11.8 34.2 14.2 11.8 35.2 8.4 8.2 35.8 > 8.5 7.6 35.0 8.7 9.0 35.5 9.4 5.5 31.2 9.0 > 6.3 31.0 8.7 4.9 31.2 16.4 3.2 39.5 16.3 2.3 > 39.6 17.3 3.4 39.9 14.4 8.9 34.5 13.6 8.4 34.5 > 14.2 9.7 34.9 20.7 3.4 42.2 20.5 2.5 42.1 20.1 > 3.9 41.8 9.8 6.3 33.9 9.9 5.4 34.3 9.2 6.2 > 33.1 12.2 5.2 36.8 12.1 6.1 37.1 12.8 4.8 37.4 > 11.8 4.5 32.4 11.7 4.5 33.4 11.0 4.9 32.0 9.6 > 15.2 37.8 9.9 16.1 38.2 8.8 15.0 38.3 16.4 3.9 > 34.5 17.2 4.2 34.1 15.7 4.0 33.9 16.3 7.2 41.8 > 15.5 7.6 41.3 16.4 7.8 42.6 19.3 8.8 38.5 18.4 > 9.0 38.5 19.4 8.0 39.1 11.8 8.1 39.6 11.9 8.3 > 38.7 10.9 8.1 39.8 10.9 4.1 34.9 11.4 4.6 35.6 > 11.0 3.2 35.2 17.8 8.4 43.7 18.7 8.3 43.3 17.8 > 7.8 44.5 26.0 5.8 39.7 25.7 5.0 39.3 26.2 5.6 > 40.6 11.2 10.7 36.5 11.1 11.5 37.1 12.1 10.9 36.1 > 5.1 8.6 36.7 5.3 9.5 36.4 5.8 8.5 37.3 6.6 > 12.3 38.6 6.8 13.2 38.5 7.4 11.9 39.0 14.7 4.4 > 32.4 15.0 5.2 32.2 13.8 4.5 32.6 18.9 7.6 34.9 > 18.0 7.5 34.5 19.4 7.0 34.3 15.2 2.1 36.3 14.8 > 2.9 36.8 15.8 2.5 35.7 12.2 8.3 36.9 12.0 8.1 > 36.0 11.9 9.2 37.0 18.6 7.1 40.4 17.8 7.4 40.9 > 19.4 7.5 41.0 18.8 4.4 40.4 18.9 5.3 40.5 19.4 > 4.1 39.7 11.8 6.3 29.9 10.9 5.9 30.0 12.4 5.6 4277,4279c4277,4279 < 14.5 4.3 37.8 15.1 4.9 37.4 15.0 4.0 38.6 11.9 < 8.0 34.1 11.2 7.4 34.2 11.9 8.3 33.3 17.0 9.7 < 37.7 16.2 9.2 37.8 16.7 10.5 38.2 16.4 0.5 40.2 --- > 14.5 4.3 37.8 15.1 4.9 37.4 14.9 4.1 38.7 11.9 > 8.0 34.1 11.2 7.3 34.2 11.9 8.3 33.2 17.0 9.7 > 37.7 16.2 9.2 37.7 16.7 10.5 38.1 16.4 0.5 40.2 4281,4302c4281,4302 < 12.5 38.9 17.0 11.9 40.2 11.8 8.5 31.5 11.8 7.8 < 30.9 12.7 8.8 31.6 11.5 12.1 40.2 11.5 12.5 39.3 < 12.4 11.7 40.2 20.3 6.9 37.1 19.7 6.9 36.4 20.2 < 7.7 37.7 20.3 7.7 42.5 20.6 8.0 43.4 21.0 7.6 < 42.0 8.7 11.2 39.7 9.6 11.5 40.0 8.9 10.3 39.4 < 14.5 11.7 43.3 14.3 12.3 44.0 14.9 12.2 42.6 21.2 < 9.0 44.7 21.4 9.9 44.5 20.5 9.0 45.4 12.7 9.6 < 43.2 13.3 10.3 43.3 11.9 10.0 43.2 12.6 15.1 34.7 < 12.7 14.7 35.6 12.2 16.0 34.9 14.0 8.5 41.1 13.6 < 8.8 41.9 13.3 8.3 40.5 15.3 6.8 31.3 15.6 6.6 < 30.4 15.0 7.7 31.2 8.2 18.0 41.9 7.8 18.4 42.6 < 7.9 17.1 41.8 11.6 14.6 44.5 11.6 15.5 44.7 11.5 < 14.5 43.6 11.4 13.2 37.7 10.8 14.0 37.6 12.2 13.6 < 37.5 23.0 4.3 41.0 22.8 5.2 41.2 22.2 3.9 41.5 < 14.2 13.6 45.3 14.6 14.5 45.3 13.3 13.7 45.0 14.8 < 8.1 37.5 13.9 8.1 37.5 15.1 7.4 37.1 20.3 4.4 < 38.2 20.0 5.1 37.6 21.3 4.3 38.0 17.0 10.0 35.1 < 17.1 9.9 36.0 16.1 9.7 34.9 14.3 14.6 39.7 14.7 < 14.2 40.4 14.9 15.2 39.4 13.8 14.4 37.0 14.4 13.8 < 36.7 14.1 14.5 38.0 7.4 14.9 39.2 6.5 15.1 38.9 < 7.3 15.2 40.1 11.3 17.3 45.2 11.5 17.6 46.1 12.2 < 17.5 44.7 15.7 13.8 41.9 16.6 13.6 41.6 15.9 14.7 --- > 12.5 38.9 17.0 11.9 40.2 11.8 8.5 31.5 11.7 7.8 > 30.9 12.8 8.7 31.5 11.5 12.1 40.2 11.5 12.5 39.3 > 12.4 11.7 40.3 20.3 6.9 37.1 19.6 7.0 36.5 20.2 > 7.6 37.7 20.3 7.7 42.5 20.6 7.9 43.4 21.0 7.6 > 42.0 8.7 11.2 39.7 9.6 11.5 40.0 8.9 10.3 39.3 > 14.5 11.7 43.3 14.4 12.3 44.0 14.9 12.2 42.6 21.2 > 9.0 44.7 21.4 9.9 44.5 20.5 9.0 45.3 12.7 9.6 > 43.2 13.4 10.3 43.3 11.9 10.0 43.1 12.6 15.1 34.7 > 12.6 14.7 35.6 12.2 16.0 34.9 14.0 8.5 41.1 13.6 > 8.8 41.9 13.3 8.4 40.5 15.3 6.8 31.3 15.7 6.6 > 30.4 15.1 7.7 31.2 8.2 18.0 41.9 7.8 18.4 42.6 > 7.9 17.1 41.9 11.6 14.6 44.5 11.6 15.5 44.7 11.6 > 14.5 43.6 11.4 13.2 37.7 10.8 14.0 37.5 12.2 13.6 > 37.5 23.0 4.3 41.0 22.9 5.2 41.2 22.2 3.8 41.5 > 14.2 13.6 45.3 14.6 14.5 45.3 13.3 13.7 44.9 14.8 > 8.1 37.5 13.9 8.1 37.5 15.1 7.4 37.0 20.3 4.4 > 38.2 20.0 5.1 37.5 21.3 4.3 38.0 17.0 10.0 35.1 > 17.1 10.0 36.0 16.1 9.7 34.9 14.3 14.6 39.7 14.8 > 14.2 40.4 14.8 15.2 39.3 13.8 14.4 37.0 14.5 13.8 > 36.7 14.1 14.6 37.9 7.4 14.9 39.2 6.5 15.0 38.9 > 7.3 15.2 40.1 11.3 17.3 45.2 11.5 17.5 46.1 12.2 > 17.5 44.7 15.7 13.9 41.9 16.5 13.6 41.5 15.9 14.6 4304,4310c4304,4310 < 13.9 11.1 40.0 13.9 10.2 40.4 14.8 11.4 40.0 18.0 < 12.4 41.7 19.0 12.2 41.6 17.8 11.9 42.6 16.8 13.7 < 37.6 17.4 13.2 36.9 17.1 14.6 37.5 22.8 6.7 38.2 < 23.0 5.9 37.8 21.9 6.9 37.9 17.8 12.6 35.3 18.6 < 12.6 34.8 17.4 11.7 35.1 20.2 10.1 35.2 20.0 10.6 < 34.4 19.7 9.3 35.2 12.2 16.2 40.4 11.7 15.6 41.0 < 12.9 15.7 40.2 3.8 12.3 39.0 4.8 12.3 38.9 3.5 --- > 13.9 11.1 40.0 13.9 10.2 40.4 14.8 11.4 40.1 18.0 > 12.4 41.7 19.0 12.2 41.6 17.9 11.9 42.6 16.8 13.7 > 37.6 17.4 13.2 37.0 17.1 14.6 37.5 22.8 6.7 38.2 > 23.0 5.9 37.7 21.9 6.9 37.9 17.8 12.6 35.3 18.6 > 12.6 34.8 17.3 11.8 35.1 20.2 10.1 35.3 20.1 10.6 > 34.5 19.7 9.3 35.1 12.2 16.2 40.4 11.7 15.6 41.0 > 13.0 15.7 40.2 3.8 12.3 39.0 4.8 12.4 38.9 3.5 4312,4314c4312,4314 < 41.7 8.7 10.9 35.4 8.7 11.7 35.0 9.5 10.7 35.8 < 22.4 6.9 40.9 23.1 7.3 41.4 22.7 7.0 40.0 7.4 < 7.4 37.9 7.0 6.6 37.7 7.7 7.8 37.1 12.1 12.9 --- > 41.8 8.7 10.9 35.4 8.7 11.8 35.1 9.5 10.7 35.8 > 22.4 6.9 40.9 23.1 7.3 41.4 22.7 7.1 40.0 7.4 > 7.4 37.9 7.0 6.6 37.6 7.6 7.9 37.1 12.1 12.9 4316,4318c4316,4318 < 16.2 13.1 35.0 15.0 13.7 34.3 17.3 11.7 30.5 16.9 < 11.2 31.2 18.2 11.7 30.7 22.5 3.2 44.3 22.3 2.2 < 44.6 21.7 3.4 43.8 12.9 3.8 30.0 13.6 3.1 30.2 --- > 16.2 13.1 35.0 15.0 13.7 34.2 17.3 11.7 30.4 16.8 > 11.3 31.2 18.2 11.8 30.7 22.5 3.2 44.3 22.3 2.3 > 44.6 21.7 3.4 43.8 12.9 3.8 30.0 13.5 3.1 30.2 4320,4323c4320,4323 < 5.0 42.8 24.7 3.5 43.0 24.2 3.7 42.2 24.1 3.4 < 43.7 15.4 -0.1 37.8 15.2 0.6 37.4 15.6 -0.7 37.1 < 19.1 0.5 39.7 19.5 0.7 40.5 18.2 0.5 39.8 20.5 < 0.7 42.1 21.2 0.6 41.6 20.8 0.6 43.0 4.3 14.5 --- > 5.0 42.8 24.7 3.5 43.0 24.2 3.8 42.2 24.1 3.4 > 43.7 15.4 -0.1 37.8 15.2 0.7 37.4 15.6 -0.7 37.1 > 19.1 0.5 39.7 19.5 0.7 40.5 18.2 0.6 39.8 20.5 > 0.7 42.1 21.2 0.7 41.5 20.8 0.5 43.0 4.3 14.5 4325,4333c4325,4333 < 15.4 9.5 31.5 14.1 10.2 31.1 15.9 6.0 36.2 16.0 < 6.7 35.6 15.9 5.2 35.7 19.8 1.8 37.3 19.6 1.3 < 38.2 19.9 2.7 37.6 24.9 3.6 39.2 24.2 3.6 39.9 < 24.3 3.7 38.4 6.5 15.8 41.7 6.4 16.1 42.5 5.7 < 15.3 41.5 16.8 10.0 32.3 17.5 9.3 32.2 17.0 10.3 < 33.1 16.5 7.2 33.8 16.4 6.8 32.9 15.8 7.8 33.9 < 9.5 15.7 46.6 10.2 16.3 46.4 9.9 14.8 46.5 10.8 < 14.2 41.9 9.9 14.3 41.5 11.2 13.5 41.4 27.2 20.8 < 43.7 28.0 21.2 43.2 26.5 21.3 43.4 22.7 20.4 43.4 --- > 15.4 9.5 31.5 14.1 10.2 31.1 15.9 6.0 36.2 15.9 > 6.7 35.5 15.9 5.2 35.8 19.8 1.8 37.3 19.6 1.3 > 38.2 19.9 2.7 37.5 24.9 3.6 39.2 24.2 3.5 39.9 > 24.4 3.7 38.4 6.5 15.8 41.7 6.4 16.1 42.5 5.6 > 15.3 41.6 16.9 10.0 32.3 17.4 9.2 32.3 16.9 10.3 > 33.1 16.5 7.2 33.8 16.5 6.8 33.0 15.8 7.8 33.8 > 9.5 15.7 46.6 10.2 16.3 46.5 9.9 14.8 46.5 10.8 > 14.2 41.9 9.9 14.3 41.5 11.3 13.5 41.4 27.2 20.8 > 43.7 28.0 21.2 43.3 26.5 21.3 43.5 22.7 20.4 43.4 4335,4339c4335,4339 < 22.4 38.3 18.5 21.9 39.8 24.1 22.2 48.1 23.8 21.7 < 47.3 24.2 21.5 48.8 16.5 24.4 42.4 17.2 23.9 42.2 < 16.6 24.6 43.3 24.9 25.5 34.7 24.6 26.0 33.9 25.7 < 25.9 34.9 18.8 23.9 33.9 19.3 23.2 34.2 19.1 24.7 < 34.3 19.6 24.8 47.4 19.4 25.7 47.0 19.8 25.0 48.3 --- > 22.4 38.3 18.4 21.9 39.8 24.1 22.2 48.1 23.7 21.7 > 47.4 24.2 21.5 48.8 16.5 24.4 42.4 17.2 23.9 42.2 > 16.6 24.6 43.3 24.9 25.5 34.6 24.6 26.0 33.9 25.7 > 26.0 34.9 18.8 23.9 33.9 19.3 23.2 34.2 19.1 24.7 > 34.3 19.7 24.8 47.4 19.4 25.7 47.0 19.8 25.0 48.3 4342,4361c4342,4361 < 40.5 26.5 17.6 40.1 27.2 18.8 40.6 25.3 22.9 35.1 < 24.5 22.5 34.8 25.1 23.9 35.1 31.5 18.9 41.0 31.7 < 17.9 41.0 30.5 18.8 41.1 20.0 21.7 35.0 20.4 21.1 < 35.7 19.8 21.2 34.3 22.3 20.8 39.2 22.0 20.4 40.0 < 23.1 20.4 39.0 27.9 11.9 45.0 27.3 12.6 45.3 27.7 < 11.2 45.6 22.8 16.3 34.4 22.3 17.1 34.6 23.0 16.4 < 33.5 24.5 23.7 44.9 24.9 24.5 44.7 23.6 24.0 45.2 < 18.5 20.6 41.3 17.5 20.7 41.2 18.7 21.5 41.7 28.7 < 15.5 42.1 28.0 15.5 41.6 28.5 16.1 42.9 21.9 18.8 < 34.8 21.6 19.3 35.6 21.1 18.9 34.2 15.7 20.8 41.9 < 15.9 21.1 42.8 15.2 21.5 41.6 21.0 30.4 37.5 20.8 < 31.3 37.6 20.4 29.9 38.0 21.6 19.3 48.5 21.1 20.1 < 48.7 22.4 19.5 49.0 30.9 14.6 43.6 30.1 14.6 43.0 < 30.8 13.9 44.2 27.7 19.4 35.8 28.4 18.9 35.4 27.4 < 20.0 35.1 20.1 21.3 49.3 19.6 22.0 48.9 19.4 20.6 < 49.4 26.8 22.8 48.1 27.2 22.1 47.6 25.9 22.7 48.1 < 21.9 17.4 45.5 22.8 17.8 45.6 21.7 17.0 46.4 25.5 < 22.7 42.7 25.3 23.4 42.1 25.0 22.8 43.5 30.6 24.2 < 38.9 29.6 24.2 38.8 30.7 24.2 39.8 24.9 15.8 47.2 < 24.7 16.7 46.9 25.3 15.9 48.0 27.5 20.6 46.5 27.5 --- > 40.5 26.4 17.6 40.1 27.2 18.9 40.5 25.3 22.9 35.0 > 24.5 22.5 35.0 25.1 23.8 35.2 31.5 18.9 41.0 31.7 > 17.9 40.9 30.5 18.8 41.1 20.0 21.7 35.0 20.3 21.2 > 35.7 19.9 21.1 34.3 22.3 20.8 39.2 22.0 20.4 40.0 > 23.1 20.4 39.0 27.9 11.9 45.0 27.3 12.7 45.3 27.6 > 11.2 45.7 22.8 16.3 34.4 22.3 17.0 34.7 23.0 16.4 > 33.5 24.5 23.7 44.9 25.0 24.5 44.6 23.6 24.0 45.2 > 18.5 20.6 41.3 17.5 20.7 41.1 18.7 21.5 41.7 28.7 > 15.5 42.1 28.0 15.5 41.6 28.5 16.1 42.8 21.9 18.9 > 34.8 21.6 19.2 35.7 21.1 19.0 34.3 15.7 20.8 41.9 > 15.9 21.0 42.8 15.1 21.5 41.6 21.0 30.4 37.4 20.8 > 31.3 37.7 20.4 29.9 38.0 21.6 19.3 48.5 21.1 20.1 > 48.6 22.4 19.5 49.0 30.9 14.6 43.6 30.1 14.6 43.0 > 30.8 13.9 44.2 27.7 19.4 35.8 28.4 18.9 35.3 27.4 > 20.0 35.1 20.1 21.3 49.3 19.6 22.0 48.8 19.5 20.5 > 49.3 26.8 22.8 48.1 27.2 22.1 47.5 25.9 22.7 48.1 > 21.9 17.4 45.5 22.8 17.8 45.6 21.8 16.9 46.4 25.5 > 22.6 42.7 25.4 23.4 42.1 25.0 22.8 43.5 30.6 24.2 > 38.9 29.6 24.1 38.8 30.7 24.3 39.8 24.9 15.8 47.2 > 24.8 16.7 46.8 25.4 15.9 48.0 27.5 20.6 46.5 27.5 4363,4380c4363,4380 < 43.5 24.6 14.4 42.6 22.2 23.5 39.6 22.3 23.7 38.7 < 22.2 22.5 39.6 18.8 23.1 42.6 19.6 23.5 42.1 19.3 < 22.8 43.4 20.8 20.0 37.0 21.4 20.4 37.7 20.3 19.4 < 37.4 17.9 17.6 51.0 17.7 18.5 50.7 18.0 17.1 50.1 < 14.8 18.4 41.8 14.1 18.5 41.1 15.3 19.2 41.8 28.7 < 24.2 43.6 29.7 24.2 43.6 28.5 24.0 44.5 16.8 18.9 < 38.7 16.0 19.4 38.9 16.9 18.9 37.7 22.0 24.8 45.9 < 22.7 24.8 46.6 21.2 24.6 46.3 13.7 18.2 44.3 13.5 < 19.1 44.4 14.0 18.1 43.4 37.2 20.9 39.8 36.5 20.2 < 39.7 37.1 21.2 40.7 22.5 26.2 36.1 22.7 27.0 36.6 < 23.2 26.2 35.4 15.9 23.6 36.6 16.4 24.4 36.4 16.6 < 22.9 36.4 18.3 26.7 38.9 18.7 27.5 38.7 19.0 26.2 < 39.4 22.1 13.6 50.5 22.8 14.0 51.0 22.4 13.9 49.6 < 16.6 19.1 47.3 16.6 18.2 46.9 15.6 19.3 47.4 23.6 < 27.0 49.3 23.4 26.1 49.0 24.4 27.3 48.9 19.1 28.6 < 44.3 19.5 28.0 43.6 18.3 28.9 43.9 25.5 27.6 47.6 < 25.2 28.0 46.8 26.4 27.4 47.4 22.9 24.6 48.5 23.5 < 23.9 48.6 22.2 24.4 49.2 24.8 9.9 45.6 24.3 10.5 --- > 43.5 24.7 14.4 42.6 22.2 23.5 39.6 22.3 23.7 38.7 > 22.2 22.5 39.6 18.8 23.1 42.6 19.6 23.5 42.1 19.2 > 22.8 43.4 20.8 20.0 37.0 21.4 20.3 37.7 20.3 19.4 > 37.4 17.9 17.6 51.0 17.6 18.5 50.7 18.0 17.2 50.1 > 14.8 18.4 41.8 14.1 18.4 41.1 15.3 19.2 41.7 28.7 > 24.2 43.6 29.7 24.2 43.6 28.5 23.9 44.5 16.8 18.9 > 38.7 16.0 19.5 38.8 16.9 18.9 37.8 22.0 24.8 45.9 > 22.7 24.7 46.5 21.2 24.6 46.3 13.7 18.2 44.3 13.4 > 19.1 44.4 14.0 18.1 43.4 37.2 20.9 39.8 36.5 20.3 > 39.6 37.0 21.3 40.7 22.5 26.2 36.1 22.7 27.0 36.6 > 23.2 26.2 35.4 15.9 23.6 36.6 16.4 24.4 36.4 16.5 > 22.9 36.3 18.3 26.6 38.9 18.7 27.5 38.7 19.0 26.2 > 39.4 22.1 13.6 50.5 22.8 14.1 51.1 22.4 13.9 49.6 > 16.6 19.1 47.3 16.6 18.2 46.9 15.7 19.3 47.4 23.5 > 27.0 49.3 23.5 26.1 49.0 24.4 27.3 49.0 19.1 28.6 > 44.3 19.5 27.9 43.6 18.3 28.9 43.9 25.5 27.6 47.6 > 25.3 28.0 46.8 26.4 27.3 47.4 22.9 24.6 48.5 23.6 > 23.9 48.7 22.2 24.4 49.2 24.8 9.9 45.6 24.3 10.5 4382,4384c4382,4384 < 14.5 21.9 38.6 24.5 19.2 34.3 23.6 19.3 34.5 24.9 < 18.8 35.1 22.5 15.3 39.0 21.9 14.8 38.7 23.2 15.5 < 38.3 24.8 11.3 43.3 24.0 11.1 42.9 24.7 12.3 43.4 --- > 14.5 21.9 38.6 24.5 19.2 34.3 23.6 19.3 34.6 25.0 > 18.9 35.0 22.5 15.3 39.0 21.9 14.8 38.7 23.2 15.4 > 38.3 24.8 11.3 43.3 24.0 11.1 42.9 24.7 12.3 43.3 4386,4392c4386,4392 < 22.1 35.1 29.2 22.0 34.7 30.6 21.3 34.7 25.4 18.2 < 36.7 25.1 18.7 37.5 26.3 18.5 36.5 23.0 23.8 37.1 < 23.0 23.4 36.2 22.6 24.6 37.1 28.9 22.0 42.0 28.5 < 22.8 42.3 29.7 22.4 41.6 18.7 15.2 39.8 19.1 14.7 < 39.1 19.2 14.9 40.6 28.8 19.6 40.8 28.6 20.5 40.9 < 29.2 19.6 39.9 18.8 16.3 34.3 18.1 16.9 34.3 18.8 < 15.9 33.5 20.4 11.3 37.6 20.3 11.0 36.7 20.2 10.6 --- > 22.1 35.1 29.2 21.9 34.7 30.6 21.3 34.8 25.4 18.2 > 36.7 25.1 18.7 37.4 26.2 18.6 36.4 23.0 23.8 37.1 > 23.0 23.5 36.2 22.5 24.6 37.2 28.9 22.0 42.0 28.5 > 22.8 42.3 29.7 22.4 41.5 18.7 15.2 39.8 19.1 14.7 > 39.0 19.2 14.9 40.5 28.8 19.6 40.8 28.6 20.5 40.9 > 29.1 19.5 39.9 18.8 16.3 34.3 18.1 16.9 34.3 18.8 > 15.9 33.5 20.4 11.3 37.5 20.3 11.0 36.7 20.2 10.6 4394,4402c4394,4402 < 23.8 31.0 31.4 23.7 30.3 32.0 24.3 31.7 31.8 24.5 < 18.7 42.6 25.0 18.3 43.4 25.2 18.6 41.9 24.6 19.7 < 38.9 25.1 20.5 38.5 25.1 19.5 39.7 22.6 22.6 34.6 < 21.7 22.4 34.6 22.9 22.7 33.7 27.9 24.8 38.4 27.1 < 24.2 38.4 27.5 25.7 38.6 26.8 15.7 40.1 26.0 15.3 < 40.4 26.9 15.4 39.2 27.4 27.3 39.3 27.7 27.8 38.5 < 28.0 27.5 40.0 28.5 8.6 41.0 28.4 8.0 40.2 28.5 < 9.5 40.5 14.2 20.0 38.6 13.8 19.4 37.9 13.6 19.9 < 39.3 21.0 19.6 41.3 20.9 18.8 40.9 20.1 20.0 41.3 --- > 23.8 31.0 31.4 23.7 30.3 32.0 24.3 31.6 31.8 24.5 > 18.7 42.6 25.0 18.2 43.4 25.2 18.6 41.9 24.6 19.7 > 38.9 25.0 20.5 38.5 25.1 19.5 39.7 22.7 22.6 34.6 > 21.7 22.5 34.7 22.8 22.7 33.7 27.9 24.8 38.4 27.2 > 24.2 38.4 27.5 25.7 38.5 26.8 15.7 40.1 26.0 15.3 > 40.5 26.9 15.4 39.2 27.4 27.3 39.3 27.7 27.8 38.5 > 28.0 27.5 40.0 28.5 8.6 41.0 28.4 8.0 40.3 28.5 > 9.4 40.5 14.2 20.0 38.6 13.8 19.4 37.9 13.6 19.9 > 39.4 21.0 19.6 41.3 20.9 18.8 40.9 20.2 20.0 41.3 4404,4412c4404,4412 < 18.1 38.3 18.6 18.5 38.6 19.8 17.7 39.1 22.2 27.6 < 40.3 22.1 27.6 39.3 23.1 27.5 40.4 24.4 18.3 46.1 < 24.3 19.3 46.0 25.2 18.1 45.6 31.3 22.1 37.5 31.0 < 22.1 36.6 31.2 23.0 37.8 18.4 15.3 44.0 19.0 15.1 < 43.2 17.7 15.7 43.6 31.3 23.5 41.5 31.4 23.9 42.3 < 32.1 23.1 41.2 19.9 24.8 40.4 20.8 24.5 40.3 19.4 < 24.2 39.9 25.0 26.4 44.3 24.9 27.3 44.6 24.3 26.2 < 43.7 16.3 19.5 36.1 15.4 19.7 36.0 16.6 18.9 35.4 < 16.3 16.3 39.6 16.4 17.3 39.3 17.2 16.0 39.4 17.4 --- > 18.1 38.3 18.6 18.5 38.6 19.7 17.7 39.1 22.2 27.6 > 40.3 22.1 27.5 39.3 23.1 27.5 40.4 24.4 18.3 46.1 > 24.3 19.3 46.0 25.2 18.1 45.6 31.3 22.1 37.5 31.1 > 22.1 36.6 31.3 23.0 37.8 18.4 15.3 44.0 19.0 15.1 > 43.2 17.7 15.7 43.6 31.3 23.5 41.5 31.4 24.0 42.3 > 32.1 23.1 41.2 19.9 24.8 40.4 20.8 24.5 40.4 19.4 > 24.2 39.8 25.0 26.4 44.3 24.9 27.3 44.5 24.3 26.2 > 43.7 16.3 19.5 36.1 15.4 19.8 36.0 16.5 18.8 35.4 > 16.3 16.3 39.6 16.3 17.2 39.2 17.2 16.0 39.3 17.4 4414,4417c4414,4417 < 44.1 31.8 25.1 44.2 31.5 23.9 44.9 22.7 14.4 48.0 < 22.0 15.0 48.0 23.5 14.8 47.6 27.2 23.5 50.7 27.1 < 23.3 49.8 27.4 24.5 50.7 24.0 21.1 45.7 24.4 21.9 < 45.4 23.4 20.8 44.9 22.5 25.8 43.3 22.3 25.4 44.2 --- > 44.1 31.7 25.1 44.2 31.4 23.9 44.9 22.7 14.4 48.0 > 22.0 15.0 48.0 23.5 14.9 47.6 27.2 23.5 50.7 27.1 > 23.3 49.8 27.5 24.5 50.7 24.0 21.1 45.7 24.5 21.9 > 45.3 23.5 20.8 44.9 22.5 25.8 43.3 22.3 25.4 44.2 4419,4420c4419,4420 < 30.0 33.9 24.1 24.8 41.4 23.6 25.0 42.2 23.3 24.5 < 40.8 18.1 20.9 45.9 17.4 20.4 46.4 18.8 20.3 45.8 --- > 30.0 33.9 24.1 24.8 41.4 23.7 25.0 42.2 23.3 24.6 > 40.9 18.1 20.9 45.9 17.4 20.4 46.4 18.8 20.2 45.8 4422c4422 < 19.8 46.0 21.1 19.2 45.4 21.0 19.8 46.8 29.1 26.9 --- > 19.8 46.0 21.1 19.3 45.4 21.1 19.9 46.8 29.1 26.9 4425c4425 < 33.7 42.9 17.1 32.6 42.6 19.1 15.3 31.8 18.3 15.2 --- > 33.7 43.0 17.1 32.6 42.6 19.1 15.3 31.8 18.3 15.2 4428,4431c4428,4431 < 22.6 40.4 15.1 16.0 44.9 15.5 16.0 44.0 14.9 16.9 < 45.1 22.2 29.9 43.9 22.2 30.8 44.0 22.1 29.7 43.0 < 22.8 28.4 37.7 22.2 29.1 37.7 23.6 28.8 38.1 24.6 < 14.4 40.7 24.7 13.6 40.3 23.9 14.8 40.1 32.9 20.3 --- > 22.6 40.3 15.1 16.0 44.9 15.5 16.1 44.0 15.0 16.9 > 45.1 22.2 29.9 43.9 22.2 30.8 43.9 22.1 29.7 43.0 > 22.8 28.4 37.7 22.1 29.0 37.9 23.6 28.8 38.1 24.6 > 14.4 40.7 24.7 13.6 40.3 24.0 14.8 40.1 32.9 20.3 4433c4433 < 24.7 29.2 45.4 23.4 28.9 44.9 25.5 23.7 38.2 24.5 --- > 24.8 29.2 45.4 23.4 28.9 44.8 25.5 23.7 38.2 24.5 4435c4435 < 40.8 21.8 16.7 40.2 30.5 19.7 38.6 30.8 20.6 38.2 --- > 40.8 21.8 16.7 40.2 30.5 19.7 38.6 30.8 20.5 38.2 4437,4438c4437,4438 < 28.0 45.9 27.8 24.3 35.7 28.1 24.6 36.5 27.0 23.8 < 35.9 27.3 11.8 42.3 26.4 11.7 42.6 27.8 12.1 43.0 --- > 28.0 45.9 27.8 24.3 35.7 28.2 24.6 36.5 27.0 23.8 > 35.9 27.3 11.8 42.3 26.4 11.7 42.6 27.8 12.2 43.0 4440,4442c4440,4442 < 29.6 39.1 25.2 28.9 39.6 25.5 30.1 38.8 25.8 28.9 < 35.4 26.3 28.4 34.7 26.3 28.5 36.2 23.6 20.2 50.1 < 23.3 20.9 50.7 24.4 20.0 50.6 13.8 25.6 44.8 14.7 --- > 29.5 39.1 25.2 28.9 39.6 25.5 30.1 38.8 25.8 28.9 > 35.4 26.3 28.4 34.7 26.2 28.6 36.2 23.6 20.2 50.1 > 23.3 21.0 50.7 24.5 20.0 50.6 13.8 25.6 44.8 14.7 4444,4446c4444,4446 < 38.4 18.9 29.6 39.9 10.7 18.7 42.7 10.8 18.2 43.5 < 9.9 18.3 42.2 21.8 32.6 44.0 21.8 33.0 44.9 22.8 < 32.6 43.8 16.7 12.8 46.1 15.7 13.0 46.0 16.9 12.5 --- > 38.4 18.8 29.5 39.9 10.7 18.7 42.7 10.8 18.2 43.5 > 10.0 18.3 42.2 21.8 32.6 44.0 21.8 33.0 44.9 22.7 > 32.6 43.8 16.7 12.8 46.1 15.7 13.1 46.0 16.9 12.6 4448,4454c4448,4454 < 13.7 18.7 36.0 14.3 18.0 36.2 12.9 18.2 36.2 25.6 < 29.4 42.6 25.5 28.6 42.0 26.3 29.9 42.2 16.5 16.4 < 42.6 15.7 16.9 42.3 17.2 17.0 42.6 27.7 26.8 43.5 < 26.8 26.7 43.8 27.9 25.8 43.3 18.4 13.7 48.0 18.5 < 12.9 48.6 17.6 13.5 47.5 15.3 16.6 36.2 14.7 15.8 < 36.3 16.0 16.4 36.7 25.1 27.2 40.6 24.8 26.3 40.8 < 25.9 27.1 40.1 17.8 16.3 36.9 18.3 16.2 36.0 18.4 --- > 13.7 18.7 36.0 14.4 18.1 36.2 12.9 18.3 36.4 25.6 > 29.4 42.6 25.5 28.6 42.1 26.3 29.9 42.2 16.5 16.4 > 42.6 15.7 16.9 42.4 17.2 17.0 42.6 27.7 26.8 43.5 > 26.8 26.8 43.9 27.9 25.8 43.3 18.4 13.7 48.0 18.5 > 13.0 48.6 17.6 13.5 47.6 15.2 16.6 36.2 14.7 15.8 > 36.4 16.1 16.5 36.7 25.1 27.2 40.6 24.8 26.3 40.8 > 25.9 27.1 40.1 17.8 16.3 36.9 18.3 16.2 36.0 18.5 4456c4456 < 42.2 20.0 13.9 45.7 19.7 13.6 46.5 19.3 14.3 45.2 --- > 42.2 20.0 13.9 45.6 19.7 13.6 46.5 19.3 14.3 45.2 4458,4460c4458,4460 < 14.5 35.1 21.6 15.0 34.9 20.1 15.2 35.0 24.1 15.9 < 36.8 24.5 16.7 36.9 23.6 16.0 36.0 18.4 18.1 42.6 < 19.3 18.3 42.9 18.3 18.9 42.0 20.3 14.8 42.0 20.5 --- > 14.5 35.1 21.6 15.0 35.0 20.1 15.2 35.1 24.1 15.9 > 36.8 24.4 16.7 37.0 23.5 16.0 36.0 18.4 18.1 42.6 > 19.3 18.3 42.9 18.3 18.8 41.9 20.3 14.8 42.0 20.6 4462,4465c4462,4465 < 44.5 21.3 14.7 44.8 28.2 28.4 36.8 28.6 27.8 36.2 < 28.7 29.2 36.8 13.7 20.9 44.6 13.1 21.4 44.2 14.6 < 21.3 44.5 20.5 14.0 37.9 20.5 13.0 38.0 20.5 14.1 < 37.0 22.9 10.4 41.6 23.1 10.5 40.6 23.3 9.5 41.7 --- > 44.5 21.3 14.7 44.8 28.1 28.4 36.8 28.7 27.7 36.3 > 28.7 29.2 36.8 13.7 20.9 44.6 13.1 21.5 44.2 14.6 > 21.2 44.5 20.5 14.0 37.9 20.5 13.0 38.0 20.5 14.1 > 37.0 22.9 10.4 41.6 23.1 10.5 40.6 23.4 9.5 41.7 4467,4480c4467,4480 < 27.1 34.7 30.3 27.4 34.2 29.9 26.2 34.9 13.9 20.2 < 47.2 13.9 21.0 47.7 13.8 20.4 46.3 30.8 24.8 35.2 < 31.7 24.5 35.0 30.3 23.9 35.2 21.9 27.9 47.2 22.4 < 27.9 48.0 22.4 28.3 46.5 23.1 31.6 40.1 22.6 31.1 < 40.7 23.6 30.9 39.6 15.7 27.2 39.7 16.5 26.9 39.4 < 15.5 26.5 40.4 20.3 27.0 42.0 19.9 26.2 41.6 20.8 < 27.4 41.4 12.0 27.2 40.4 11.1 26.9 40.3 12.2 27.0 < 41.3 30.8 25.5 50.0 30.1 25.8 49.5 30.7 26.0 50.8 < 30.9 23.1 47.4 31.2 23.0 48.3 30.7 22.2 47.1 19.9 < 25.9 35.3 20.1 26.8 34.8 20.7 25.8 35.8 27.9 18.0 < 49.3 28.6 18.1 48.7 28.0 18.4 50.1 21.2 16.6 48.0 < 20.4 16.6 48.5 21.5 17.6 48.2 32.8 25.0 48.3 32.5 < 25.2 49.2 32.0 24.8 47.8 33.6 22.3 40.9 34.5 22.6 < 41.2 33.7 22.2 39.9 30.1 20.5 47.0 30.4 20.4 46.1 --- > 27.1 34.7 30.4 27.4 34.1 29.9 26.2 35.0 13.9 20.2 > 47.2 13.9 21.0 47.7 13.7 20.4 46.3 30.8 24.8 35.2 > 31.7 24.6 35.1 30.4 23.9 35.3 21.9 27.9 47.2 22.4 > 28.0 48.0 22.3 28.3 46.5 23.1 31.6 40.1 22.6 31.1 > 40.8 23.6 31.0 39.6 15.7 27.2 39.7 16.5 27.0 39.4 > 15.5 26.5 40.4 20.3 27.0 42.0 20.0 26.2 41.6 20.8 > 27.4 41.3 12.0 27.2 40.4 11.1 26.9 40.3 12.2 27.0 > 41.3 30.8 25.5 50.0 30.0 25.8 49.5 30.7 26.0 50.8 > 30.9 23.1 47.4 31.3 23.0 48.3 30.7 22.2 47.1 19.9 > 25.9 35.3 20.1 26.8 34.9 20.7 25.8 35.9 27.9 18.0 > 49.3 28.6 18.2 48.7 28.0 18.4 50.1 21.2 16.6 48.0 > 20.4 16.6 48.5 21.5 17.6 48.1 32.8 25.1 48.3 32.6 > 25.2 49.2 32.0 24.7 47.9 33.6 22.3 40.9 34.5 22.6 > 41.2 33.7 22.3 39.9 30.1 20.5 47.0 30.4 20.4 46.1 4482,4484c4482,4484 < 21.9 36.1 23.6 12.1 46.5 24.4 12.5 46.2 23.2 12.8 < 47.0 16.5 17.7 34.0 16.1 17.5 33.2 15.9 17.2 34.7 < 24.8 8.1 41.8 25.3 7.3 42.2 25.4 8.8 41.7 23.7 --- > 21.9 36.2 23.6 12.1 46.5 24.4 12.5 46.1 23.2 12.9 > 47.0 16.5 17.7 34.0 16.1 17.5 33.2 16.0 17.3 34.7 > 24.8 8.1 41.8 25.2 7.4 42.2 25.4 8.8 41.7 23.7 4487c4487 < 25.4 13.9 44.9 25.9 14.3 46.2 27.2 27.0 33.8 28.1 --- > 25.5 13.9 44.8 25.9 14.3 46.2 27.2 27.0 33.8 28.1 4489c4489 < 44.6 31.7 20.1 43.9 22.7 18.9 30.8 23.4 18.4 31.3 --- > 44.6 31.6 20.1 43.9 22.7 18.9 30.8 23.4 18.4 31.3 4491c4491 < 17.0 44.7 28.9 11.3 40.1 28.4 11.6 40.9 29.3 12.1 --- > 17.0 44.6 28.9 11.3 40.1 28.4 11.6 40.9 29.3 12.1 4493c4493 < 35.1 19.7 44.1 34.4 19.8 43.5 34.9 20.0 44.9 23.2 --- > 35.1 19.7 44.1 34.4 19.9 43.5 34.9 20.0 44.9 23.2 4496,4497c4496,4497 < 12.3 17.9 40.4 11.7 19.2 41.0 16.1 22.0 44.3 16.3 < 22.9 44.6 16.8 21.5 44.8 23.0 11.3 36.7 22.1 11.4 --- > 12.2 17.9 40.5 11.7 19.2 41.0 16.1 22.0 44.3 16.3 > 22.9 44.6 16.8 21.4 44.7 23.0 11.4 36.7 22.0 11.3 4499,4514c4499,4514 < 24.5 9.6 38.8 20.7 13.2 31.3 21.5 13.6 30.9 20.5 < 12.5 30.8 12.2 22.0 42.8 11.8 21.7 42.1 13.1 22.4 < 42.5 27.1 12.2 37.7 27.0 13.1 37.6 27.1 11.9 36.8 < 25.8 12.0 40.0 26.1 12.0 39.1 26.6 12.0 40.5 21.8 < 22.0 51.2 21.1 22.1 51.8 21.5 21.6 50.5 14.3 23.1 < 41.4 14.4 23.4 40.5 15.1 23.6 41.8 16.4 24.6 45.2 < 16.6 25.5 45.5 16.6 24.0 45.9 17.5 23.2 47.3 18.4 < 23.6 47.2 17.7 22.3 47.0 26.6 14.8 37.3 25.6 14.8 < 37.2 26.9 15.1 36.4 30.3 15.9 39.9 31.2 15.8 40.2 < 29.8 15.9 40.8 32.5 16.4 41.2 33.3 16.4 40.7 32.7 < 15.6 41.8 16.2 29.4 41.3 16.1 28.6 40.8 16.0 30.1 < 40.7 25.6 23.7 31.5 26.3 24.0 32.0 25.3 24.5 31.0 < 26.2 21.2 37.2 25.7 21.6 36.5 26.8 20.7 36.8 30.7 < 17.2 37.5 30.6 16.7 38.3 30.5 18.1 37.7 35.6 18.7 < 39.1 34.9 18.1 39.4 35.2 19.2 38.4 18.7 30.4 41.4 < 18.5 31.4 41.6 17.9 30.0 41.4 27.7 24.5 32.9 28.5 --- > 24.5 9.7 38.7 20.7 13.2 31.3 21.5 13.6 30.9 20.5 > 12.5 30.8 12.2 22.0 42.8 11.8 21.6 42.1 13.1 22.3 > 42.5 27.1 12.2 37.7 26.9 13.1 37.7 27.0 11.9 36.8 > 25.8 12.0 40.0 26.0 11.9 39.0 26.6 12.1 40.4 21.8 > 22.0 51.2 21.1 22.0 51.8 21.5 21.5 50.5 14.3 23.1 > 41.4 14.4 23.4 40.5 15.1 23.5 41.8 16.4 24.6 45.2 > 16.7 25.5 45.5 16.7 24.0 45.9 17.5 23.2 47.3 18.4 > 23.6 47.2 17.7 22.3 47.1 26.6 14.8 37.3 25.6 14.8 > 37.2 26.8 15.1 36.4 30.3 15.9 39.9 31.2 15.8 40.2 > 29.9 16.0 40.8 32.5 16.4 41.2 33.3 16.4 40.7 32.6 > 15.6 41.8 16.2 29.4 41.3 16.1 28.6 40.8 16.1 30.1 > 40.6 25.6 23.7 31.5 26.3 24.0 32.1 25.3 24.5 31.0 > 26.2 21.2 37.2 25.6 21.6 36.5 26.8 20.7 36.8 30.7 > 17.2 37.5 30.7 16.7 38.3 30.5 18.1 37.7 35.6 18.7 > 39.1 34.9 18.1 39.4 35.2 19.2 38.4 18.8 30.4 41.4 > 18.5 31.3 41.6 17.9 30.0 41.3 27.7 24.5 32.9 28.5 4517c4517 < 12.4 19.1 47.5 25.8 23.4 53.0 26.2 23.5 52.2 26.2 --- > 12.4 19.1 47.5 25.8 23.4 53.0 26.1 23.6 52.1 26.1 4521,4525c4521,4525 < 8.0 38.4 24.2 7.7 38.1 25.5 7.3 38.9 38.6 35.7 < 43.2 39.2 35.9 42.4 37.8 36.3 43.0 33.4 35.7 42.7 < 32.9 35.4 41.9 34.3 35.6 42.5 29.6 37.5 39.2 29.0 < 37.4 38.4 29.6 36.6 39.6 32.8 36.2 47.4 33.3 36.2 < 46.6 33.4 36.6 48.0 26.9 40.1 42.0 27.7 39.7 42.2 --- > 8.0 38.4 24.2 7.7 38.1 25.5 7.3 38.8 38.6 35.7 > 43.2 39.1 35.8 42.4 37.8 36.3 43.0 33.4 35.7 42.7 > 32.9 35.4 41.9 34.3 35.6 42.4 29.6 37.5 39.2 29.0 > 37.5 38.4 29.6 36.6 39.6 32.8 36.2 47.4 33.3 36.3 > 46.5 33.4 36.7 48.0 26.9 40.1 42.0 27.7 39.7 42.2 4528c4528 < 34.3 30.5 39.9 47.6 30.4 40.8 47.3 30.5 39.9 48.5 --- > 34.3 30.5 39.9 47.6 30.4 40.8 47.3 30.4 39.9 48.5 4531,4535c4531,4535 < 39.9 37.3 32.9 39.6 38.3 34.0 39.9 35.9 39.1 34.9 < 35.1 38.7 35.1 35.7 40.0 34.5 41.7 33.8 42.1 42.2 < 33.0 42.0 40.9 33.6 41.6 30.5 36.9 34.8 30.8 36.5 < 35.6 30.9 36.4 34.0 32.9 35.8 38.7 32.5 35.4 39.4 < 33.8 35.4 38.6 38.9 27.5 45.5 38.2 28.0 45.8 38.7 --- > 39.9 37.4 32.9 39.6 38.3 34.0 39.9 35.9 39.1 34.9 > 35.1 38.7 35.2 35.7 40.0 34.6 41.7 33.8 42.1 42.3 > 33.0 42.1 40.9 33.5 41.6 30.5 36.9 34.8 30.8 36.5 > 35.6 30.9 36.3 34.1 32.9 35.8 38.7 32.5 35.4 39.4 > 33.8 35.4 38.7 38.9 27.5 45.5 38.2 28.0 45.8 38.7 4538c4538 < 29.5 35.5 41.2 28.6 35.6 41.4 30.0 36.1 41.7 38.9 --- > 29.5 35.5 41.2 28.6 35.6 41.5 30.0 36.1 41.7 38.9 4540,4547c4540,4547 < 34.3 32.5 34.7 35.1 32.2 34.7 33.6 26.9 36.1 41.8 < 26.8 36.3 42.7 26.5 36.8 41.3 31.7 45.3 37.5 31.7 < 46.2 37.7 31.0 44.9 38.0 32.8 33.5 50.1 32.3 34.2 < 49.8 33.5 33.8 50.6 40.6 29.7 42.7 40.2 30.3 42.1 < 39.9 29.0 42.7 38.1 34.4 35.3 39.0 34.4 35.0 37.5 < 34.6 34.6 31.2 35.6 49.6 31.5 36.0 48.8 30.2 35.7 < 49.5 37.6 37.5 47.0 38.1 36.8 46.7 37.0 37.8 46.3 < 32.7 33.0 45.3 33.7 33.2 45.2 32.6 32.8 46.2 37.6 --- > 34.3 32.5 34.6 35.2 32.2 34.7 33.7 26.9 36.1 41.8 > 26.8 36.3 42.7 26.5 36.8 41.4 31.7 45.3 37.5 31.8 > 46.2 37.8 31.0 44.9 38.0 32.8 33.5 50.1 32.3 34.2 > 49.8 33.4 33.8 50.7 40.6 29.7 42.7 40.3 30.3 42.1 > 39.9 29.0 42.7 38.1 34.4 35.4 38.9 34.5 34.9 37.4 > 34.6 34.7 31.2 35.6 49.6 31.5 36.0 48.8 30.2 35.7 > 49.6 37.6 37.5 47.0 38.1 36.8 46.7 37.0 37.8 46.3 > 32.7 33.0 45.3 33.7 33.3 45.2 32.7 32.8 46.2 37.6 4549,4552c4549,4552 < 38.4 40.2 39.7 38.4 41.3 39.3 39.3 36.1 31.3 46.9 < 35.9 32.1 46.4 36.5 31.6 47.7 38.9 35.6 45.8 38.8 < 35.7 44.9 39.0 34.6 45.9 35.4 29.6 43.1 34.5 29.9 < 43.3 35.5 29.5 42.2 33.2 38.4 39.7 33.5 38.8 38.9 --- > 38.4 40.2 39.7 38.4 41.3 39.2 39.3 36.1 31.3 46.9 > 36.0 32.1 46.4 36.5 31.6 47.7 38.9 35.6 45.8 38.8 > 35.7 44.9 39.0 34.6 45.9 35.4 29.6 43.2 34.5 29.8 > 43.3 35.5 29.4 42.2 33.2 38.4 39.7 33.5 38.8 38.9 4556,4560c4556,4560 < 25.9 33.7 41.6 25.1 33.7 41.1 26.4 34.5 41.5 39.2 < 39.4 44.1 40.0 39.0 43.8 39.2 39.4 45.0 27.8 33.7 < 38.6 27.2 34.3 39.0 27.8 34.0 37.7 33.0 39.7 46.4 < 33.5 39.8 47.3 32.1 39.7 46.7 24.5 33.0 43.9 24.4 < 33.9 44.1 25.0 33.0 43.0 47.1 35.8 39.0 46.2 35.5 --- > 25.9 33.7 41.6 25.1 33.7 41.1 26.4 34.5 41.4 39.2 > 39.4 44.1 40.1 39.1 43.9 39.2 39.5 45.0 27.8 33.7 > 38.6 27.2 34.4 39.0 27.9 34.0 37.7 33.0 39.7 46.4 > 33.5 39.8 47.3 32.1 39.7 46.7 24.5 33.0 43.9 24.3 > 33.9 44.0 25.0 33.0 43.0 47.1 35.8 39.0 46.2 35.5 4562,4564c4562,4564 < 33.9 41.6 35.6 30.1 27.4 52.0 29.8 26.8 52.7 30.8 < 27.9 52.2 26.5 38.8 36.8 27.0 39.6 36.6 27.1 38.1 < 36.8 28.7 42.0 38.8 29.0 42.9 38.9 29.5 41.5 39.1 --- > 33.9 41.5 35.6 30.1 27.4 52.0 29.9 26.8 52.7 30.9 > 27.8 52.2 26.5 38.8 36.8 26.9 39.6 36.4 27.1 38.1 > 36.7 28.7 42.1 38.8 29.0 42.9 38.9 29.5 41.5 39.1 4566c4566 < 34.3 47.6 27.7 33.4 47.2 26.8 34.6 47.3 34.3 42.1 --- > 34.3 47.6 27.7 33.4 47.1 26.8 34.7 47.3 34.3 42.1 4568,4577c4568,4577 < 31.0 44.6 45.5 29.6 45.0 45.1 35.3 42.7 47.8 35.1 < 42.9 46.9 36.1 42.2 47.7 33.3 39.8 49.2 33.7 39.0 < 49.1 32.4 39.7 49.6 36.0 25.3 45.1 35.4 25.9 45.5 < 36.1 25.7 44.2 24.4 37.7 38.1 25.1 38.1 37.7 24.7 < 36.8 38.4 35.6 34.5 34.1 34.7 34.6 34.0 35.7 34.2 < 35.0 33.6 30.2 38.6 32.8 29.7 38.4 34.0 30.4 37.8 < 36.1 27.0 42.9 35.4 26.7 42.4 35.9 27.8 43.3 31.9 < 27.1 41.9 32.7 26.7 41.6 32.0 27.1 42.9 40.0 37.1 < 35.3 39.1 37.1 34.9 40.4 36.3 35.0 35.9 33.3 36.5 < 35.6 33.7 37.3 36.8 33.6 36.4 33.8 39.1 37.2 33.5 --- > 31.0 44.6 45.5 29.6 45.1 45.1 35.3 42.7 47.8 35.0 > 42.9 46.9 36.1 42.2 47.8 33.3 39.8 49.1 33.7 39.0 > 49.1 32.5 39.7 49.6 36.0 25.3 45.1 35.4 25.9 45.5 > 36.1 25.6 44.2 24.4 37.7 38.1 25.1 38.1 37.6 24.7 > 36.8 38.4 35.6 34.5 34.0 34.7 34.6 34.0 35.8 34.3 > 35.0 33.6 30.2 38.6 32.8 29.8 38.4 34.0 30.4 37.8 > 36.1 27.0 42.9 35.4 26.7 42.4 35.9 27.8 43.4 31.9 > 27.1 41.9 32.8 26.7 41.6 32.0 27.1 42.9 40.0 37.1 > 35.3 39.1 37.1 34.9 40.4 36.3 35.1 35.9 33.3 36.5 > 35.5 33.8 37.2 36.7 33.7 36.3 33.8 39.1 37.2 33.5 4579,4580c4579,4580 < 41.1 40.2 37.4 40.7 29.2 29.8 39.5 30.1 29.5 39.3 < 29.0 29.4 40.4 40.1 34.3 40.1 39.8 35.2 40.2 40.7 --- > 41.0 40.2 37.4 40.7 29.2 29.8 39.5 30.1 29.6 39.4 > 29.0 29.4 40.4 40.1 34.3 40.1 39.7 35.2 40.2 40.7 4584c4584 < 47.1 31.4 34.7 46.6 32.2 35.2 47.9 31.5 35.8 34.4 --- > 47.1 31.4 34.6 46.6 32.2 35.2 47.9 31.5 35.8 34.4 4586,4591c4586,4591 < 35.9 35.9 38.1 35.9 34.8 39.2 33.0 38.2 34.8 32.2 < 37.6 34.7 33.2 38.4 33.8 38.5 40.2 38.2 37.8 39.7 < 38.6 38.5 41.0 38.7 37.4 31.2 39.4 36.8 30.6 39.7 < 37.7 30.8 38.5 37.8 42.6 39.3 37.9 43.2 38.7 38.3 < 42.8 40.1 38.6 24.1 40.6 39.3 23.7 40.1 38.8 25.1 < 40.5 25.3 35.2 38.6 24.9 34.8 37.8 24.7 34.9 39.3 --- > 35.9 35.9 38.2 35.8 34.8 39.2 33.0 38.2 34.8 32.3 > 37.5 34.8 33.1 38.4 33.8 38.5 40.2 38.2 37.9 39.6 > 38.7 38.5 41.0 38.7 37.4 31.2 39.3 36.8 30.6 39.7 > 37.8 30.8 38.6 37.8 42.6 39.3 37.8 43.3 38.7 38.3 > 42.8 40.1 38.6 24.1 40.6 39.2 23.7 40.0 38.8 25.1 > 40.5 25.3 35.2 38.6 24.8 34.9 37.8 24.7 35.0 39.3 4594,4597c4594,4597 < 37.9 29.5 33.0 38.4 30.9 32.7 38.6 33.0 42.9 40.4 < 33.3 43.1 39.5 33.8 42.7 40.8 35.4 33.6 45.4 35.1 < 34.5 45.4 35.9 33.5 44.6 41.5 37.1 37.3 40.9 37.1 < 36.6 41.4 37.9 37.8 29.3 30.1 43.4 30.0 30.0 42.7 --- > 37.9 29.5 33.0 38.4 30.9 32.7 38.6 33.0 42.9 40.3 > 33.4 43.1 39.5 33.8 42.8 40.9 35.4 33.6 45.4 35.1 > 34.5 45.4 35.9 33.4 44.6 41.5 37.1 37.3 41.0 37.2 > 36.5 41.4 37.9 37.8 29.3 30.1 43.4 30.0 30.0 42.7 4599,4610c4599,4610 < 38.2 40.8 30.8 39.6 40.3 31.7 39.4 40.1 30.3 39.0 < 39.7 35.8 41.2 44.3 35.6 42.1 44.6 35.0 40.9 43.9 < 27.3 34.7 36.1 26.4 34.8 36.3 27.4 34.2 35.3 27.1 < 31.1 38.6 27.3 32.0 38.6 27.8 30.6 39.0 28.2 30.5 < 45.9 28.5 30.4 45.0 27.2 30.8 45.8 41.9 38.8 43.6 < 42.0 39.7 43.8 42.5 38.4 44.1 33.9 29.8 47.4 33.4 < 30.6 47.6 34.7 30.1 47.1 36.4 38.7 49.1 36.8 38.1 < 48.5 36.6 39.5 48.8 34.6 36.1 45.2 34.7 37.0 45.4 < 34.1 36.1 44.4 33.5 40.0 43.7 33.2 40.0 44.6 32.7 < 40.4 43.2 34.5 45.9 33.7 35.2 45.5 34.2 34.2 46.6 < 34.3 35.0 39.3 41.5 34.5 39.5 42.4 34.4 39.0 40.9 < 28.7 36.2 45.9 28.2 35.5 46.4 29.5 35.8 45.6 37.3 --- > 38.3 40.8 30.8 39.6 40.3 31.7 39.4 40.1 30.3 39.1 > 39.7 35.8 41.2 44.3 35.7 42.1 44.6 35.0 41.0 43.9 > 27.3 34.7 36.1 26.4 34.8 36.3 27.4 34.1 35.3 27.1 > 31.0 38.6 27.3 32.0 38.6 27.8 30.6 39.1 28.2 30.5 > 45.9 28.4 30.3 45.0 27.2 30.8 45.8 41.9 38.8 43.6 > 41.9 39.7 43.9 42.5 38.4 44.1 33.9 29.8 47.4 33.4 > 30.6 47.6 34.7 30.1 47.1 36.4 38.7 49.1 36.7 38.0 > 48.5 36.6 39.5 48.7 34.6 36.1 45.2 34.6 37.0 45.5 > 34.1 36.1 44.4 33.5 40.0 43.7 33.2 40.1 44.6 32.7 > 40.3 43.2 34.5 45.9 33.7 35.2 45.5 34.2 34.2 46.6 > 34.3 35.0 39.3 41.5 34.6 39.5 42.4 34.4 39.0 40.9 > 28.7 36.2 45.9 28.2 35.5 46.3 29.5 35.8 45.6 37.3 4613,4617c4613,4617 < 38.3 40.6 47.3 38.2 42.0 47.0 29.7 31.5 47.9 29.2 < 31.9 48.6 29.1 31.4 47.2 29.2 48.5 42.2 29.2 49.4 < 42.4 28.5 48.1 42.6 29.5 31.1 31.3 28.9 31.0 30.6 < 30.2 30.5 31.2 39.6 39.3 46.8 38.9 38.8 47.2 40.4 < 39.1 47.3 22.2 37.0 39.8 23.0 37.2 39.4 21.5 37.6 --- > 38.3 40.5 47.3 38.2 42.0 47.0 29.7 31.5 47.9 29.2 > 31.9 48.6 29.0 31.4 47.2 29.2 48.5 42.2 29.1 49.4 > 42.3 28.4 48.1 42.6 29.5 31.1 31.3 28.9 31.0 30.6 > 30.2 30.5 31.2 39.6 39.3 46.8 38.9 38.9 47.2 40.4 > 39.0 47.3 22.2 37.0 39.8 23.0 37.2 39.4 21.5 37.6 4619c4619 < 32.5 44.9 44.5 32.6 45.9 44.7 32.3 44.9 43.6 33.7 --- > 32.5 44.9 44.5 32.5 45.9 44.7 32.3 44.8 43.6 33.7 4621,4624c4621,4624 < 40.4 36.0 28.6 40.1 34.8 29.5 39.8 43.6 35.6 42.6 < 43.8 36.1 41.7 43.0 35.0 42.3 34.8 43.5 45.3 35.4 < 44.2 44.9 33.9 43.8 45.2 36.4 38.8 38.2 35.5 38.8 < 37.8 36.7 37.9 38.2 31.8 31.9 40.0 31.3 31.3 40.6 --- > 40.4 36.0 28.6 40.2 34.8 29.5 39.8 43.6 35.6 42.6 > 43.9 36.0 41.7 43.0 34.9 42.3 34.8 43.5 45.3 35.4 > 44.2 44.9 33.9 43.8 45.2 36.4 38.8 38.1 35.5 38.7 > 37.8 36.7 37.9 38.3 31.8 31.9 40.0 31.3 31.3 40.6 4626,4629c4626,4629 < 34.6 38.6 30.2 42.7 47.6 31.0 43.0 47.9 29.8 43.3 < 47.0 38.5 40.0 35.6 38.6 40.2 36.5 37.6 39.8 35.4 < 38.7 27.7 42.8 37.8 27.4 42.8 39.0 27.7 43.7 37.6 < 33.2 43.6 38.0 33.9 43.2 38.1 32.9 44.3 35.7 44.8 --- > 34.6 38.5 30.2 42.7 47.6 31.0 43.1 47.9 29.8 43.3 > 47.0 38.5 40.0 35.6 38.7 40.2 36.5 37.6 39.9 35.5 > 38.7 27.7 42.8 37.8 27.4 42.9 39.1 27.7 43.7 37.6 > 33.2 43.6 38.0 33.9 43.1 38.2 32.9 44.3 35.7 44.8 4631c4631 < 36.7 44.2 34.7 36.7 44.5 36.2 34.3 35.4 51.6 33.7 --- > 36.7 44.2 34.7 36.7 44.6 36.2 34.3 35.4 51.6 33.7 4634,4635c4634,4635 < 29.7 45.1 39.6 20.5 34.1 42.1 21.1 33.6 42.6 19.7 < 33.5 42.0 33.2 47.7 45.0 33.3 48.3 45.7 34.0 47.7 --- > 29.7 45.0 39.6 20.5 34.1 42.1 21.1 33.6 42.6 19.7 > 33.5 42.0 33.2 47.7 45.0 33.2 48.3 45.7 34.1 47.7 4637c4637 < 27.8 31.6 49.7 28.1 30.7 50.0 26.8 31.5 49.6 24.8 --- > 27.8 31.6 49.7 28.1 30.7 49.9 26.8 31.5 49.6 24.8 4639,4644c4639,4644 < 41.8 38.2 44.4 41.8 37.6 45.5 40.9 27.4 31.2 41.9 < 26.8 31.9 41.6 28.2 31.6 42.2 38.3 41.8 43.6 37.4 < 41.6 43.6 38.7 41.0 43.9 30.8 28.9 48.2 31.4 29.0 < 48.9 30.5 29.8 48.1 26.1 31.4 36.0 25.8 30.5 35.9 < 26.5 31.4 36.9 35.5 42.0 40.6 35.3 41.1 40.8 36.2 < 41.9 40.0 29.7 30.6 36.4 29.3 30.9 35.7 29.8 31.3 --- > 41.8 38.2 44.4 41.9 37.6 45.5 40.9 27.4 31.2 41.9 > 26.9 31.9 41.5 28.2 31.6 42.2 38.3 41.8 43.6 37.4 > 41.6 43.6 38.7 41.0 44.0 30.8 28.9 48.2 31.4 29.0 > 48.9 30.5 29.8 48.0 26.1 31.4 36.1 25.9 30.4 36.0 > 26.5 31.5 36.9 35.5 42.0 40.6 35.3 41.1 40.8 36.2 > 41.9 40.0 29.7 30.6 36.4 29.2 30.9 35.7 29.8 31.3 4647c4647 < 26.7 44.6 33.3 26.7 45.0 32.0 27.4 45.1 31.8 30.1 --- > 26.7 44.6 33.4 26.7 45.0 32.0 27.4 45.1 31.8 30.1 4651,4660c4651,4660 < 41.9 32.2 30.1 42.5 33.0 30.5 44.0 33.0 31.3 44.6 < 32.5 29.9 44.5 38.3 44.1 37.1 38.9 43.5 36.6 38.7 < 45.0 36.8 24.4 35.7 44.4 23.8 36.2 43.9 25.2 36.3 < 44.5 31.4 29.0 37.9 31.5 28.1 37.4 30.9 29.5 37.2 < 34.3 25.7 41.3 34.5 25.7 40.3 34.6 24.8 41.6 44.2 < 36.9 37.6 44.4 36.1 37.0 43.3 37.2 37.3 39.5 42.5 < 35.1 40.3 42.6 34.6 39.5 41.6 35.4 25.1 34.8 46.9 < 24.4 34.9 47.6 24.7 35.0 46.1 41.5 39.3 34.5 41.2 < 39.1 33.6 41.1 38.6 35.0 32.5 43.6 48.8 32.7 43.2 < 49.6 33.3 43.6 48.2 34.2 46.6 40.6 33.4 46.2 41.0 --- > 41.9 32.2 30.1 42.5 33.0 30.5 44.0 33.1 31.3 44.6 > 32.4 29.9 44.5 38.3 44.1 37.1 38.9 43.5 36.7 38.7 > 45.0 36.8 24.4 35.7 44.4 23.8 36.2 43.9 25.1 36.3 > 44.5 31.4 29.0 37.9 31.5 28.2 37.4 30.9 29.6 37.2 > 34.3 25.7 41.3 34.6 25.8 40.4 34.5 24.8 41.6 44.2 > 36.9 37.6 44.4 36.1 37.1 43.3 37.2 37.3 39.5 42.5 > 35.1 40.3 42.7 34.6 39.7 41.6 35.5 25.1 34.8 46.9 > 24.4 35.0 47.6 24.6 35.0 46.1 41.5 39.3 34.5 41.1 > 39.1 33.6 41.1 38.7 35.1 32.5 43.6 48.8 32.7 43.2 > 49.6 33.3 43.5 48.2 34.2 46.6 40.6 33.4 46.2 41.0 4662,4668c4662,4668 < 41.8 41.0 31.7 41.4 42.2 31.2 40.9 41.6 32.2 41.9 < 41.6 22.4 42.0 40.8 21.9 41.2 40.8 22.6 42.2 41.7 < 31.5 32.0 52.0 30.7 32.4 52.0 32.0 32.6 51.4 41.6 < 38.3 48.5 41.3 38.2 49.4 41.6 37.4 48.1 30.6 41.2 < 35.3 30.6 42.0 34.9 31.5 41.1 35.6 38.9 33.4 50.2 < 39.8 33.7 50.0 38.9 33.6 51.2 32.4 32.0 47.8 31.5 < 31.8 47.8 32.6 32.4 48.7 43.9 37.3 40.4 44.8 37.6 --- > 41.8 41.1 31.7 41.4 42.2 31.2 40.9 41.6 32.3 41.9 > 41.7 22.4 42.0 40.8 21.9 41.1 40.8 22.6 42.2 41.7 > 31.5 32.0 52.0 30.7 32.4 52.1 32.0 32.6 51.4 41.6 > 38.3 48.5 41.2 38.2 49.4 41.6 37.4 48.1 30.6 41.2 > 35.3 30.5 42.1 34.9 31.5 41.2 35.6 38.9 33.4 50.2 > 39.8 33.7 50.0 38.9 33.5 51.2 32.4 32.0 47.8 31.5 > 31.8 47.8 32.5 32.4 48.7 43.9 37.3 40.4 44.8 37.6 4670,4673c4670,4673 < 40.3 36.1 46.8 28.4 37.2 36.7 28.1 36.3 36.4 29.1 < 37.4 36.1 34.6 27.5 46.0 35.4 28.0 45.7 34.2 28.0 < 46.7 27.1 32.9 34.0 26.3 33.0 33.5 26.8 32.4 34.8 < 36.1 23.5 41.5 36.3 22.8 42.1 36.9 23.8 41.2 34.1 --- > 40.3 36.1 46.9 28.4 37.2 36.7 28.1 36.3 36.4 29.1 > 37.5 36.1 34.6 27.5 46.0 35.4 28.0 45.7 34.2 28.0 > 46.7 27.1 33.0 34.0 26.3 33.0 33.5 26.8 32.5 34.8 > 36.1 23.5 41.5 36.3 22.8 42.1 37.0 23.7 41.2 34.1 4675,4676c4675,4676 < 45.5 40.4 32.9 45.3 39.3 32.3 46.3 36.8 29.1 45.4 < 36.3 29.4 44.6 36.6 29.9 46.0 37.4 43.1 33.6 38.0 --- > 45.5 40.4 32.9 45.4 39.3 32.3 46.3 36.8 29.1 45.4 > 36.3 29.4 44.6 36.5 29.8 46.0 37.4 43.1 33.6 38.0 4679,4680c4679,4680 < 43.1 36.1 44.3 33.6 34.3 30.2 34.2 33.8 30.7 32.7 < 33.8 30.4 41.9 33.4 44.7 41.9 33.4 43.8 42.6 32.8 --- > 43.1 36.2 44.4 33.6 34.3 30.2 34.2 33.8 30.7 32.7 > 33.8 30.4 41.9 33.4 44.7 42.0 33.3 43.8 42.6 32.8 4682,4684c4682,4684 < 47.1 36.0 41.7 48.0 36.1 42.1 46.6 35.5 42.3 46.0 < 34.5 43.6 45.1 34.8 43.3 46.0 34.7 44.5 34.2 37.2 < 49.4 35.1 37.6 49.3 34.4 36.6 50.1 31.2 33.2 30.7 --- > 47.1 36.0 41.7 47.9 36.1 42.1 46.6 35.5 42.3 46.0 > 34.6 43.6 45.1 34.8 43.3 46.0 34.7 44.5 34.2 37.2 > 49.4 35.1 37.6 49.2 34.5 36.6 50.1 31.2 33.2 30.7 4686,4689c4686,4689 < 33.2 40.1 22.9 34.3 40.9 26.6 37.2 44.3 26.9 38.1 < 44.3 27.4 36.7 44.7 33.8 25.9 36.3 33.0 26.2 36.7 < 34.2 25.4 37.1 35.0 25.3 38.7 35.5 26.1 39.0 35.6 < 24.7 38.6 32.2 32.5 54.5 31.7 33.3 54.7 32.0 32.2 --- > 33.2 40.0 22.9 34.3 40.9 26.6 37.2 44.3 26.9 38.1 > 44.4 27.4 36.7 44.6 33.8 25.9 36.4 33.0 26.2 36.7 > 34.2 25.4 37.1 35.0 25.3 38.7 35.4 26.1 39.0 35.7 > 24.7 38.6 32.2 32.5 54.5 31.7 33.3 54.6 32.1 32.2 4691c4691 < 23.2 36.9 42.3 22.7 37.2 41.4 24.1 37.3 42.2 38.2 --- > 23.2 36.9 42.3 22.7 37.2 41.5 24.1 37.3 42.2 38.2 4694,4699c4694,4699 < 30.9 36.9 52.5 31.1 35.9 51.5 25.2 38.1 41.0 25.2 < 38.3 40.1 25.8 38.8 41.4 26.9 40.1 44.9 27.7 40.7 < 44.8 27.0 39.7 45.7 28.1 38.8 46.9 28.9 39.2 47.1 < 28.4 38.0 46.5 37.4 30.0 36.6 36.4 30.0 36.5 37.7 < 30.4 35.8 40.7 31.3 39.6 41.6 31.3 40.1 40.0 31.3 < 40.2 42.9 31.7 41.1 43.8 31.8 40.8 43.1 30.9 41.7 --- > 30.9 36.9 52.5 31.1 35.9 51.5 25.2 38.1 41.0 25.3 > 38.2 40.1 25.8 38.8 41.4 26.9 40.1 44.9 27.7 40.7 > 44.8 27.0 39.7 45.7 28.1 38.8 46.9 28.9 39.2 47.2 > 28.4 38.0 46.4 37.4 30.0 36.6 36.5 30.0 36.5 37.7 > 30.3 35.8 40.7 31.3 39.6 41.6 31.2 40.0 40.0 31.2 > 40.2 42.9 31.7 41.1 43.8 31.9 40.8 43.0 30.9 41.6 4702,4703c4702,4703 < 36.6 37.0 37.0 35.9 37.6 35.7 36.3 41.7 32.3 37.2 < 41.2 31.8 37.9 41.8 33.1 37.5 45.0 34.0 38.9 44.9 --- > 36.6 37.1 37.0 35.8 37.6 35.7 36.4 41.7 32.3 37.2 > 41.2 31.8 37.9 41.8 33.1 37.6 45.0 34.0 38.9 44.9 4710c4710 < 45.1 41.8 31.3 45.2 41.6 32.6 44.5 41.3 36.3 23.0 --- > 45.1 41.9 31.3 45.1 41.6 32.7 44.5 41.3 36.3 23.0 4713,4716c4713,4716 < 53.0 38.0 40.8 52.9 38.6 38.8 53.8 43.3 39.4 53.9 < 42.6 39.2 54.4 44.0 39.9 53.7 34.5 40.6 53.1 34.3 < 40.3 54.4 35.0 42.1 49.9 32.2 42.0 49.1 31.6 41.9 < 50.6 31.6 47.6 48.8 40.9 47.8 47.9 40.7 48.3 49.1 --- > 52.9 38.1 40.8 52.9 38.6 38.8 53.8 43.3 39.4 53.9 > 42.5 39.2 54.4 43.9 39.9 53.7 34.5 40.6 53.1 34.3 > 40.3 54.4 35.0 42.1 49.9 32.2 41.9 49.1 31.6 41.9 > 50.6 31.6 47.6 48.8 40.9 47.7 47.9 40.8 48.3 49.1 4718,4723c4718,4723 < 44.3 50.7 38.1 43.8 50.3 38.8 45.2 50.5 38.2 44.5 < 46.5 33.6 44.3 47.4 33.7 44.4 46.3 32.7 39.0 51.0 < 40.1 38.3 51.2 40.7 39.2 51.8 39.6 43.9 48.9 33.9 < 43.5 49.1 34.8 43.2 49.1 33.3 37.2 52.0 42.1 37.8 < 52.5 42.7 36.7 52.6 41.7 48.5 50.4 35.0 49.1 50.7 < 34.3 47.7 50.5 34.7 46.2 43.8 42.5 45.6 44.3 42.9 --- > 44.3 50.7 38.1 43.8 50.3 38.8 45.2 50.4 38.2 44.5 > 46.4 33.6 44.3 47.4 33.8 44.4 46.3 32.7 39.0 51.0 > 40.1 38.2 51.2 40.6 39.1 51.8 39.6 43.9 49.0 33.9 > 43.5 49.0 34.8 43.1 49.0 33.3 37.2 52.0 42.1 37.8 > 52.4 42.8 36.7 52.6 41.7 48.6 50.4 35.0 49.1 50.8 > 34.4 47.7 50.5 34.7 46.2 43.8 42.5 45.6 44.3 42.9 4725,4729c4725,4729 < 52.1 38.0 42.6 49.9 36.1 43.3 50.2 36.7 42.2 49.2 < 36.6 36.9 49.3 41.7 36.2 49.4 41.0 37.1 50.2 41.9 < 38.9 48.9 38.4 39.1 49.6 39.1 38.5 49.4 37.7 35.4 < 48.2 43.6 35.2 49.1 43.8 35.8 48.2 42.7 36.7 55.1 < 36.9 37.4 55.8 37.1 37.2 54.3 36.8 39.8 57.0 40.1 --- > 52.0 37.9 42.6 49.9 36.1 43.3 50.2 36.6 42.2 49.1 > 36.5 36.9 49.3 41.7 36.2 49.3 41.0 37.2 50.2 41.8 > 38.9 48.9 38.4 39.2 49.5 39.1 38.5 49.4 37.7 35.5 > 48.2 43.6 35.2 49.1 43.8 35.7 48.2 42.6 36.7 55.1 > 36.9 37.3 55.8 37.1 37.3 54.3 36.8 39.8 57.0 40.1 4731c4731 < 40.3 44.4 47.4 39.5 44.1 34.8 53.5 38.3 35.6 53.9 --- > 40.3 44.4 47.3 39.5 44.1 34.8 53.5 38.3 35.6 53.9 4734,4735c4734,4735 < 45.4 37.2 45.2 41.4 43.2 45.0 41.1 42.3 45.8 42.2 < 43.0 42.1 42.2 41.5 42.7 41.6 41.1 41.9 41.8 42.4 --- > 45.4 37.2 45.2 41.4 43.2 45.0 41.1 42.3 45.9 42.1 > 43.0 42.1 42.2 41.5 42.7 41.6 41.1 41.9 41.8 42.3 4737c4737 < 54.4 36.3 43.8 53.9 35.5 44.7 54.7 36.5 40.5 45.0 --- > 54.4 36.3 43.7 53.9 35.5 44.7 54.7 36.4 40.5 45.0 4741,4745c4741,4745 < 29.9 43.9 51.2 29.5 45.2 48.0 42.0 44.6 48.6 41.4 < 46.1 48.4 41.8 46.9 50.0 38.5 47.7 50.3 38.2 47.0 < 49.5 39.3 44.4 52.8 34.3 43.6 52.3 34.2 44.6 53.2 < 33.4 48.1 46.5 39.7 47.4 45.8 39.9 48.6 46.1 39.0 < 48.7 39.3 40.3 49.3 38.7 39.7 49.1 40.1 40.3 34.9 --- > 29.8 43.9 51.2 29.5 45.2 48.0 42.0 44.6 48.6 41.4 > 46.1 48.4 41.8 46.9 50.0 38.5 47.7 50.2 38.2 47.0 > 49.4 39.2 44.4 52.9 34.3 43.6 52.3 34.2 44.6 53.1 > 33.4 48.1 46.5 39.7 47.5 45.8 39.9 48.6 46.1 39.0 > 48.7 39.3 40.3 49.4 38.8 39.7 49.1 40.2 40.4 34.9 4747,4754c4747,4754 < 40.3 43.4 48.4 39.9 42.7 49.6 40.7 45.0 53.3 31.6 < 44.6 52.7 30.9 45.9 53.2 31.5 41.3 48.0 37.5 40.6 < 48.3 38.0 41.9 47.6 38.2 40.4 45.7 43.1 41.0 45.3 < 42.5 40.0 46.4 42.6 40.5 54.5 41.1 41.5 54.2 41.0 < 40.2 54.3 40.2 37.9 50.3 36.1 37.0 50.0 36.3 38.0 < 50.1 35.2 38.3 46.3 39.4 38.4 47.0 38.8 39.0 45.8 < 39.3 38.5 45.6 45.2 39.1 45.7 44.5 37.7 45.7 44.9 < 47.3 52.0 30.9 47.0 51.1 31.0 47.3 52.2 30.0 40.1 --- > 40.3 43.4 48.5 39.9 42.7 49.6 40.7 45.0 53.3 31.6 > 44.6 52.7 31.0 45.9 53.2 31.5 41.3 48.0 37.5 40.6 > 48.3 38.1 42.0 47.7 38.1 40.4 45.7 43.1 41.0 45.3 > 42.5 39.9 46.4 42.6 40.5 54.5 41.1 41.5 54.2 41.0 > 40.2 54.4 40.2 37.9 50.3 36.1 37.0 50.0 36.3 38.0 > 50.1 35.2 38.3 46.3 39.4 38.4 47.0 38.7 39.0 45.7 > 39.3 38.5 45.6 45.2 39.1 45.6 44.5 37.7 45.7 44.9 > 47.3 52.0 30.9 47.0 51.1 30.9 47.3 52.3 30.0 40.1 4757,4759c4757,4759 < 36.6 45.3 43.0 36.0 46.4 43.8 46.3 44.5 39.8 46.4 < 43.6 39.5 45.6 44.8 39.2 42.9 46.9 39.5 42.8 46.3 < 40.1 43.8 46.6 39.1 50.9 48.4 38.2 50.6 49.3 38.0 --- > 36.6 45.3 43.1 36.0 46.4 43.8 46.3 44.5 39.8 46.3 > 43.6 39.5 45.7 44.9 39.2 42.9 46.9 39.5 42.8 46.3 > 40.2 43.8 46.7 39.1 50.9 48.4 38.2 50.6 49.3 38.0 4763,4766c4763,4766 < 35.4 49.1 36.1 35.9 48.3 35.8 34.5 48.9 35.8 39.0 < 47.8 41.7 38.5 48.5 41.6 38.7 47.1 41.0 37.2 47.2 < 35.3 36.7 46.4 35.5 38.1 46.9 35.6 39.6 46.3 36.1 < 40.0 46.3 35.3 40.3 46.8 36.7 41.5 43.7 44.8 40.9 --- > 35.5 49.1 36.1 35.9 48.2 35.8 34.5 48.9 35.8 39.0 > 47.8 41.7 38.5 48.6 41.5 38.7 47.1 41.1 37.2 47.2 > 35.3 36.7 46.4 35.6 38.1 47.0 35.6 39.6 46.3 36.1 > 39.9 46.4 35.2 40.3 46.8 36.6 41.5 43.7 44.8 40.9 4768c4768 < 44.1 42.3 42.2 44.4 42.2 45.0 34.3 43.1 45.3 34.3 --- > 44.1 42.3 42.2 44.5 42.2 45.0 34.3 43.1 45.3 34.3 4770,4772c4770,4772 < 46.0 35.1 41.0 49.5 41.1 40.5 48.8 41.6 40.4 50.0 < 40.7 42.3 44.8 41.2 42.3 43.8 41.2 42.9 45.1 41.8 < 44.3 45.7 42.9 44.6 46.4 42.3 43.9 46.1 43.7 35.3 --- > 46.1 35.1 41.0 49.5 41.1 40.5 48.8 41.6 40.4 50.0 > 40.7 42.3 44.8 41.2 42.3 43.8 41.2 42.8 45.1 41.9 > 44.3 45.7 42.9 44.6 46.3 42.3 43.9 46.2 43.6 35.3 4774,4782c4774,4782 < 36.8 42.2 43.0 36.6 42.2 44.3 36.0 44.5 40.7 40.7 < 44.6 40.8 39.8 45.1 40.0 41.0 37.4 57.1 41.7 38.1 < 56.9 41.1 36.6 57.1 41.2 35.1 56.2 40.7 34.9 56.4 < 39.8 34.3 56.6 41.1 41.3 55.5 36.0 41.6 56.3 35.6 < 42.1 55.1 36.2 38.4 52.9 36.5 38.4 52.0 36.3 38.8 < 53.3 35.8 38.2 49.1 33.6 37.5 49.0 33.0 38.0 48.3 < 34.2 46.2 38.6 40.9 46.6 37.8 41.1 46.9 39.2 40.6 < 44.4 49.4 29.8 45.1 49.5 30.4 43.8 49.0 30.3 50.4 < 41.4 40.2 49.9 41.8 40.8 51.2 41.9 40.2 42.4 47.8 --- > 36.8 42.2 43.0 36.6 42.2 44.4 36.0 44.5 40.7 40.7 > 44.6 40.8 39.8 45.1 40.1 41.0 37.4 57.1 41.7 38.1 > 56.9 41.1 36.7 57.2 41.2 35.1 56.2 40.7 34.9 56.3 > 39.8 34.3 56.7 41.1 41.3 55.5 36.0 41.6 56.3 35.6 > 42.1 55.0 36.2 38.4 52.9 36.5 38.4 52.0 36.3 38.8 > 53.4 35.8 38.2 49.1 33.6 37.5 49.0 32.9 38.1 48.3 > 34.1 46.2 38.6 40.9 46.6 37.8 41.0 46.9 39.2 40.6 > 44.4 49.4 29.8 45.1 49.6 30.4 43.8 48.9 30.3 50.4 > 41.4 40.2 49.9 41.8 40.8 51.3 41.9 40.2 42.4 47.8 4784,4785c4784,4785 < 34.6 48.4 40.2 33.7 49.6 40.5 44.6 41.6 35.7 43.7 < 41.6 35.9 45.0 41.3 36.6 45.6 40.8 38.1 46.2 41.3 --- > 34.6 48.4 40.1 33.7 49.5 40.5 44.6 41.6 35.7 43.7 > 41.6 36.0 45.1 41.3 36.5 45.6 40.8 38.1 46.2 41.3 4787,4788c4787,4788 < 41.9 43.5 29.8 33.6 52.1 42.2 33.1 51.8 41.4 34.3 < 52.6 41.8 49.4 43.1 37.6 48.9 43.9 37.5 49.2 42.6 --- > 41.9 43.5 29.8 33.6 52.1 42.2 33.1 51.8 41.4 34.4 > 52.6 41.8 49.4 43.1 37.6 48.9 43.9 37.6 49.1 42.6 4790,4792c4790,4792 < 35.4 53.7 40.8 35.2 53.7 39.9 35.5 54.6 41.1 48.5 < 45.6 37.1 47.6 45.7 36.7 49.1 46.2 36.6 52.9 46.1 < 40.6 53.5 46.3 41.3 52.1 46.7 40.8 49.5 50.6 37.5 --- > 35.4 53.7 40.8 35.3 53.7 39.9 35.6 54.6 41.1 48.5 > 45.6 37.1 47.6 45.7 36.7 49.0 46.3 36.7 52.9 46.1 > 40.6 53.5 46.4 41.3 52.1 46.7 40.8 49.5 50.6 37.6 4794,4798c4794,4798 < 46.5 38.8 52.2 47.3 38.2 41.3 42.7 33.1 41.7 43.5 < 33.3 42.0 42.1 32.7 46.6 38.2 37.7 45.7 37.9 37.6 < 47.0 37.6 38.3 18.3 -0.3 26.2 19.1 -0.8 25.9 17.9 < -0.9 26.8 22.4 -0.4 35.2 22.4 -0.2 34.3 22.9 -1.2 < 35.4 14.1 0.2 29.2 14.4 0.9 29.7 13.8 -0.4 29.8 --- > 46.4 38.8 52.2 47.3 38.2 41.3 42.7 33.1 41.7 43.5 > 33.3 42.0 42.1 32.7 46.6 38.2 37.7 45.7 37.9 37.7 > 47.0 37.6 38.3 18.3 -0.3 26.2 19.1 -0.7 25.9 17.9 > -0.9 26.8 22.4 -0.4 35.2 22.4 -0.2 34.3 22.8 -1.2 > 35.3 14.1 0.2 29.2 14.4 1.0 29.7 13.8 -0.3 29.8 4801c4801 < 34.4 19.1 3.1 34.0 19.0 2.4 35.3 20.3 -0.2 31.3 --- > 34.4 19.2 3.1 34.0 18.9 2.5 35.3 20.3 -0.2 31.3 4803,4804c4803,4804 < 0.7 21.7 25.3 2.1 21.8 21.4 -2.1 22.8 20.8 -1.4 < 22.5 21.1 -2.9 22.4 20.8 -1.5 25.5 20.9 -2.4 25.8 --- > 0.8 21.7 25.4 2.1 21.8 21.4 -2.1 22.9 20.8 -1.4 > 22.5 21.1 -2.8 22.4 20.8 -1.5 25.6 21.0 -2.4 25.8 4806,4808c4806,4808 < 1.8 31.6 17.2 -1.7 28.6 17.2 -2.4 29.3 17.4 -0.9 < 29.0 20.9 7.5 23.9 20.8 8.4 24.1 20.1 7.1 24.3 < 19.8 -0.5 36.0 20.8 -0.6 35.8 19.7 0.2 36.5 27.5 --- > 1.8 31.6 17.2 -1.7 28.6 17.3 -2.4 29.3 17.4 -0.9 > 29.0 20.9 7.5 23.9 20.8 8.5 24.1 20.1 7.1 24.2 > 19.8 -0.5 36.0 20.8 -0.6 35.9 19.7 0.2 36.6 27.5 4811,4816c4811,4816 < 29.4 2.1 25.7 30.4 1.5 26.7 21.7 0.7 26.5 22.1 < 0.9 25.7 21.3 -0.0 26.4 18.4 0.3 29.5 18.7 1.1 < 29.1 19.2 0.0 30.1 27.9 1.3 32.1 28.4 0.7 31.6 < 28.2 1.3 33.0 21.7 2.4 33.1 22.2 2.6 33.9 20.8 < 2.2 33.4 22.6 3.6 23.0 22.7 4.3 23.7 23.4 3.7 < 22.5 17.6 0.0 23.5 17.5 0.9 23.3 17.6 0.0 24.5 --- > 29.4 2.2 25.7 30.4 1.5 26.7 21.7 0.7 26.5 22.1 > 0.9 25.7 21.2 -0.0 26.4 18.4 0.3 29.5 18.7 1.1 > 29.1 19.1 0.0 30.1 27.9 1.3 32.1 28.4 0.7 31.6 > 28.2 1.2 33.0 21.7 2.4 33.1 22.2 2.6 33.9 20.8 > 2.2 33.4 22.6 3.6 23.0 22.7 4.2 23.8 23.4 3.7 > 22.5 17.6 0.0 23.5 17.4 0.9 23.2 17.6 0.1 24.5 4819,4825c4819,4825 < 30.5 19.2 5.0 30.0 17.7 5.6 30.0 24.8 4.6 34.9 < 24.3 4.7 34.1 25.7 4.5 34.6 22.1 2.1 35.9 22.4 < 1.2 35.7 21.3 2.0 36.3 22.9 1.2 24.1 23.1 0.8 < 23.3 22.5 2.0 23.8 27.4 -2.0 29.6 26.7 -1.4 29.5 < 28.2 -1.4 29.6 21.2 -0.5 14.5 20.6 -0.6 15.1 21.1 < -1.2 13.9 25.9 7.5 19.7 25.1 7.3 20.3 25.6 8.4 < 19.4 23.1 -0.1 21.8 22.6 -0.9 22.2 23.0 -0.2 20.9 --- > 30.5 19.1 5.0 30.0 17.7 5.6 30.1 24.8 4.6 34.9 > 24.3 4.7 34.1 25.7 4.4 34.6 22.1 2.1 35.9 22.4 > 1.2 35.7 21.3 2.0 36.4 22.9 1.2 24.1 23.2 0.8 > 23.3 22.5 2.0 23.9 27.4 -2.0 29.6 26.7 -1.4 29.6 > 28.2 -1.4 29.7 21.3 -0.5 14.5 20.5 -0.6 15.1 21.1 > -1.2 13.8 25.9 7.5 19.7 25.1 7.3 20.3 25.6 8.4 > 19.4 23.1 -0.1 21.8 22.6 -0.8 22.2 23.0 -0.2 20.9 4827c4827 < 4.8 26.4 27.2 5.0 25.5 27.5 5.1 27.0 23.4 -0.4 --- > 4.8 26.4 27.2 4.9 25.5 27.5 5.2 27.0 23.4 -0.4 4829,4831c4829,4831 < 22.1 5.0 26.2 22.8 4.5 27.4 29.4 -0.6 31.1 30.1 < -0.0 31.4 29.6 -1.4 31.4 19.3 1.8 27.3 20.2 1.6 < 27.1 18.8 1.2 26.8 24.8 3.5 31.2 24.6 4.2 31.8 --- > 22.1 5.1 26.2 22.8 4.5 27.4 29.4 -0.6 31.1 30.1 > -0.0 31.5 29.6 -1.4 31.4 19.3 1.8 27.3 20.2 1.6 > 27.1 18.8 1.2 26.8 24.8 3.5 31.2 24.6 4.3 31.7 4833,4835c4833,4835 < 1.4 33.0 27.1 -0.2 38.1 27.1 -0.6 37.2 27.4 0.6 < 38.0 22.9 0.1 32.7 23.7 0.2 32.2 22.4 0.9 32.7 < 22.1 2.9 30.4 21.8 2.6 31.3 21.5 3.5 30.1 23.7 --- > 1.4 33.0 27.1 -0.2 38.1 27.2 -0.6 37.2 27.5 0.6 > 38.0 22.9 0.1 32.7 23.7 0.2 32.2 22.4 0.9 32.6 > 22.1 2.9 30.4 21.7 2.6 31.3 21.5 3.5 30.1 23.7 4837,4838c4837,4838 < 28.4 23.2 2.0 29.2 22.9 1.3 27.8 26.0 -0.1 17.8 < 26.2 -0.4 16.9 25.9 0.7 17.7 28.3 3.3 35.7 28.4 --- > 28.4 23.2 2.0 29.2 22.9 1.3 27.9 26.0 -0.1 17.8 > 26.2 -0.4 16.9 25.9 0.7 17.8 28.3 3.3 35.7 28.4 4840,4842c4840,4842 < 29.1 17.4 9.7 27.9 29.2 1.0 34.6 28.5 0.3 34.8 < 29.8 0.9 35.4 22.0 6.4 30.7 21.5 7.0 31.2 22.2 < 6.8 29.8 22.9 5.7 24.7 22.2 6.4 24.4 23.7 6.3 --- > 29.1 17.4 9.7 27.9 29.3 1.0 34.6 28.5 0.4 34.8 > 29.7 1.0 35.4 22.0 6.4 30.7 21.5 7.0 31.2 22.2 > 6.8 29.9 22.9 5.7 24.7 22.2 6.4 24.4 23.7 6.3 4844,4845c4844,4845 < 25.5 1.2 24.6 24.5 1.1 24.6 25.7 0.8 23.8 18.8 < 4.7 33.3 19.6 5.0 33.5 18.7 4.9 32.3 28.0 1.3 --- > 25.5 1.2 24.6 24.5 1.1 24.6 25.8 0.8 23.8 18.8 > 4.7 33.3 19.7 5.0 33.5 18.7 4.9 32.3 28.0 1.3 4849,4851c4849,4851 < 31.3 14.9 2.9 31.5 18.8 6.5 25.4 18.2 7.1 25.0 < 19.0 6.9 26.3 21.4 8.9 31.7 21.7 8.7 32.5 22.2 < 9.1 31.2 27.2 2.4 37.9 27.4 2.7 37.1 26.4 2.9 --- > 31.4 14.9 2.9 31.5 18.8 6.5 25.4 18.2 7.1 25.0 > 19.0 6.9 26.3 21.4 8.9 31.6 21.7 8.6 32.5 22.2 > 9.1 31.1 27.2 2.4 37.9 27.3 2.7 37.0 26.4 2.8 4853,4868c4853,4868 < 27.5 3.8 30.9 26.5 3.9 30.7 27.6 3.0 31.3 24.5 < 4.1 27.9 24.5 3.2 28.1 25.3 4.3 27.4 28.5 4.9 < 28.5 29.4 4.8 28.8 28.0 4.8 29.3 28.1 5.6 24.1 < 28.6 5.2 23.4 28.5 6.5 24.1 29.5 5.0 21.6 30.3 < 5.5 21.6 29.8 4.1 21.9 31.4 3.1 22.1 32.1 3.5 < 21.5 31.7 2.2 22.1 21.0 6.3 33.7 21.6 7.0 33.9 < 21.6 5.5 33.5 23.1 8.9 26.7 22.5 8.4 27.2 23.7 < 8.2 26.4 15.5 4.7 26.9 16.3 4.4 26.5 15.0 3.8 < 27.0 20.2 4.0 28.9 19.9 3.2 28.5 20.9 4.3 28.3 < 14.0 2.6 27.7 14.1 1.7 28.0 13.3 2.9 28.3 30.7 < 3.9 36.6 29.9 3.7 36.3 30.5 4.4 37.5 20.0 3.5 < 22.2 20.1 4.4 21.8 20.8 3.2 22.5 32.9 2.1 36.7 < 32.5 3.0 36.6 32.1 1.5 36.6 19.5 -0.6 21.8 18.7 < -0.3 22.3 19.4 -0.1 21.0 23.3 5.3 19.8 22.4 5.0 < 19.6 23.2 6.1 20.3 26.9 5.2 20.9 27.8 5.4 21.2 < 26.7 5.9 20.3 28.3 5.2 17.1 28.3 4.4 17.6 29.2 --- > 27.5 3.8 30.9 26.5 3.9 30.7 27.5 3.0 31.4 24.5 > 4.1 27.9 24.6 3.2 28.1 25.3 4.4 27.5 28.5 4.9 > 28.5 29.4 4.8 28.9 27.9 4.9 29.3 28.1 5.6 24.1 > 28.7 5.2 23.5 28.5 6.5 24.1 29.5 5.0 21.6 30.3 > 5.5 21.7 29.7 4.2 21.9 31.4 3.1 22.1 32.1 3.5 > 21.5 31.7 2.2 22.1 21.0 6.3 33.7 21.7 7.0 33.9 > 21.5 5.5 33.5 23.1 8.9 26.7 22.5 8.4 27.2 23.7 > 8.2 26.4 15.5 4.7 26.9 16.3 4.4 26.5 15.0 3.9 > 26.9 20.2 4.0 28.9 19.9 3.2 28.5 21.0 4.3 28.4 > 14.0 2.6 27.7 14.2 1.7 27.9 13.3 2.9 28.3 30.7 > 3.9 36.6 29.9 3.7 36.3 30.5 4.4 37.4 20.0 3.5 > 22.2 20.2 4.4 21.9 20.8 3.2 22.5 32.9 2.1 36.7 > 32.5 3.0 36.6 32.1 1.6 36.6 19.5 -0.6 21.8 18.7 > -0.3 22.3 19.4 -0.2 21.0 23.3 5.3 19.8 22.4 5.0 > 19.7 23.2 6.1 20.3 26.9 5.2 20.9 27.7 5.5 21.2 > 26.6 5.9 20.3 28.3 5.2 17.1 28.3 4.3 17.6 29.2 4871,4875c4871,4875 < 21.0 -1.3 38.7 20.4 -0.7 39.0 20.6 -1.6 37.9 14.6 < -2.1 27.6 15.5 -2.1 27.7 14.3 -1.3 28.0 16.6 0.2 < 31.7 17.0 0.2 30.9 17.3 0.2 32.4 18.7 -0.1 33.5 < 18.8 0.8 33.7 18.8 -0.4 34.4 16.4 6.6 28.6 16.0 < 5.8 28.2 16.1 7.3 28.2 26.0 2.4 17.0 26.9 2.5 --- > 21.0 -1.3 38.7 20.4 -0.6 39.0 20.6 -1.6 37.9 14.6 > -2.1 27.6 15.5 -2.0 27.6 14.2 -1.3 28.0 16.6 0.2 > 31.7 17.0 0.3 30.8 17.3 0.3 32.3 18.7 -0.1 33.5 > 18.7 0.8 33.6 18.8 -0.4 34.4 16.4 6.6 28.6 16.0 > 5.8 28.2 16.0 7.3 28.2 26.0 2.4 17.0 26.8 2.4 4878,4880c4878,4880 < 2.6 19.4 28.5 -0.5 18.9 27.7 -0.8 18.5 28.2 0.1 < 19.5 24.9 0.7 39.6 25.6 0.3 39.0 25.1 1.7 39.5 < 18.7 8.1 31.6 19.7 8.2 31.6 18.6 7.2 31.2 21.6 --- > 2.5 19.4 28.5 -0.5 18.9 27.7 -0.9 18.5 28.2 0.1 > 19.5 24.9 0.7 39.6 25.6 0.4 39.0 25.1 1.7 39.6 > 18.7 8.1 31.6 19.7 8.1 31.6 18.5 7.3 31.2 21.6 4883,4886c4883,4886 < 32.6 12.5 28.9 33.5 12.2 30.0 29.6 14.5 25.8 29.5 < 14.5 24.9 29.4 13.6 26.0 33.7 14.8 36.2 34.4 14.5 < 35.5 34.0 14.3 37.0 27.1 16.5 29.4 27.8 16.0 29.4 < 26.9 16.6 30.4 35.0 18.7 21.2 34.4 19.1 20.6 35.8 --- > 32.6 12.6 28.9 33.5 12.2 30.0 29.6 14.5 25.8 29.5 > 14.5 24.9 29.4 13.6 26.1 33.7 14.8 36.2 34.4 14.6 > 35.6 34.0 14.3 37.0 27.1 16.5 29.4 27.8 16.0 29.4 > 26.9 16.6 30.4 35.0 18.7 21.2 34.4 19.1 20.5 35.8 4888c4888 < 21.4 30.2 16.2 35.1 30.1 17.0 34.6 30.3 16.5 36.0 --- > 21.3 30.2 16.2 35.1 30.1 17.0 34.7 30.3 16.4 36.1 4890,4895c4890,4895 < 12.4 19.2 30.6 11.7 18.6 29.5 12.4 19.3 36.8 10.9 < 27.2 37.0 10.1 26.8 37.6 11.5 27.2 35.9 16.2 21.0 < 35.2 15.7 21.0 35.6 17.1 21.2 42.6 10.9 27.4 42.8 < 10.0 27.1 41.7 10.8 27.8 30.7 14.2 21.3 30.9 13.6 < 22.0 30.6 13.7 20.5 32.7 13.1 25.3 32.3 12.8 26.1 < 33.6 12.8 25.4 36.8 2.7 31.8 36.6 3.6 31.7 35.9 --- > 12.4 19.2 30.7 11.7 18.5 29.5 12.4 19.2 36.8 10.9 > 27.2 37.0 10.1 26.8 37.6 11.4 27.2 35.9 16.2 21.0 > 35.2 15.7 21.0 35.6 17.1 21.2 42.6 10.9 27.4 42.9 > 10.0 27.1 41.7 10.7 27.8 30.7 14.2 21.3 30.8 13.6 > 22.0 30.5 13.6 20.5 32.7 13.1 25.3 32.3 12.8 26.0 > 33.6 12.8 25.3 36.8 2.7 31.8 36.6 3.6 31.7 35.9 4897,4900c4897,4900 < 19.8 34.8 16.1 32.3 35.0 17.0 32.0 33.8 16.0 32.2 < 29.0 12.5 28.3 28.1 12.4 28.5 29.2 13.4 28.4 40.2 < 10.4 28.7 39.7 10.9 28.0 39.8 10.6 29.5 32.4 11.4 < 20.7 32.1 11.6 21.6 31.9 11.9 20.1 26.5 12.8 29.3 --- > 19.7 34.8 16.1 32.3 35.0 17.0 32.0 33.8 16.0 32.2 > 29.0 12.5 28.3 28.1 12.5 28.6 29.2 13.4 28.4 40.2 > 10.4 28.7 39.7 10.8 28.0 39.8 10.5 29.5 32.4 11.4 > 20.7 32.1 11.6 21.6 31.9 12.0 20.1 26.5 12.8 29.3 4902,4903c4902,4903 < 23.6 24.7 30.8 22.2 25.3 31.1 11.2 35.6 30.4 10.9 < 36.2 31.2 12.1 35.8 40.7 7.9 29.7 40.5 8.7 29.2 --- > 23.6 24.6 30.8 22.2 25.2 31.1 11.2 35.6 30.4 10.9 > 36.2 31.3 12.1 35.9 40.7 7.9 29.7 40.6 8.7 29.3 4905,4907c4905,4907 < 12.4 21.2 31.1 13.9 36.3 31.9 14.3 36.5 30.6 14.5 < 35.9 38.0 15.0 34.8 38.5 14.7 34.0 37.1 14.7 34.6 < 33.1 9.9 32.7 34.0 10.2 32.9 32.8 9.7 33.6 36.0 --- > 12.4 21.2 31.1 13.9 36.3 31.9 14.4 36.6 30.6 14.6 > 35.9 38.0 15.0 34.8 38.4 14.7 34.0 37.1 14.7 34.7 > 33.1 9.8 32.7 34.0 10.2 32.9 32.8 9.7 33.6 36.0 4910c4910 < 35.8 8.3 33.7 36.5 7.5 34.8 39.0 14.3 32.4 39.3 --- > 35.9 8.3 33.8 36.5 7.4 34.8 39.0 14.3 32.4 39.3 4912,4915c4912,4915 < 30.3 35.6 7.0 29.2 33.4 15.6 26.3 33.7 16.0 25.4 < 33.4 14.6 26.1 29.4 15.1 29.5 30.1 15.4 28.9 29.9 < 14.8 30.2 31.5 12.3 23.0 32.2 12.5 23.7 31.0 11.6 < 23.3 29.6 10.3 37.5 29.2 10.9 38.2 28.8 9.8 37.3 --- > 30.3 35.6 7.0 29.2 33.4 15.6 26.2 33.7 16.0 25.4 > 33.4 14.7 26.1 29.4 15.1 29.5 30.1 15.5 28.9 29.9 > 14.8 30.2 31.5 12.3 23.0 32.2 12.4 23.7 31.1 11.5 > 23.3 29.6 10.3 37.5 29.2 10.9 38.2 28.9 9.7 37.4 4917,4919c4917,4919 < 16.7 31.4 40.5 16.7 31.1 39.8 17.0 32.4 28.4 12.0 < 25.1 27.6 12.2 25.6 28.1 12.4 24.2 31.9 16.3 32.5 < 31.7 16.1 33.4 31.6 15.6 31.9 23.8 9.8 31.0 23.9 --- > 16.7 31.4 40.5 16.7 31.1 39.8 17.0 32.4 28.3 12.0 > 25.1 27.5 12.2 25.5 28.2 12.4 24.2 31.9 16.3 32.5 > 31.7 16.1 33.4 31.6 15.6 31.9 23.8 9.8 31.0 23.8 4921c4921 < 26.7 47.7 12.7 27.5 33.2 18.6 23.2 33.2 19.4 23.8 --- > 26.7 47.7 12.7 27.5 33.2 18.6 23.2 33.2 19.4 23.7 4923,4927c4923,4927 < 5.3 39.5 26.6 16.1 23.6 27.1 16.9 23.8 27.2 15.4 < 23.4 28.9 19.0 26.6 29.1 20.0 26.6 29.5 18.6 27.2 < 33.4 6.6 37.6 34.3 6.5 37.7 33.2 6.3 36.7 26.9 < 10.9 35.2 26.8 10.2 35.8 26.1 10.9 34.6 34.7 19.6 < 36.6 34.2 18.8 36.4 35.4 19.6 35.9 29.0 19.8 31.7 --- > 5.3 39.4 26.6 16.1 23.6 27.1 16.9 23.7 27.2 15.4 > 23.3 28.9 19.0 26.6 29.1 20.0 26.6 29.5 18.6 27.2 > 33.4 6.6 37.6 34.3 6.5 37.7 33.2 6.3 36.8 26.9 > 10.9 35.2 26.8 10.2 35.8 26.1 10.9 34.7 34.7 19.6 > 36.6 34.2 18.8 36.4 35.4 19.6 36.0 29.0 19.8 31.7 4929,4930c4929,4930 < 20.0 34.0 37.0 20.1 34.1 33.1 17.5 36.2 33.3 16.6 < 36.0 32.4 17.5 36.9 34.3 1.6 32.6 34.0 2.4 33.1 --- > 20.0 34.0 37.0 20.1 34.1 33.1 17.5 36.2 33.3 16.5 > 36.0 32.5 17.5 36.9 34.3 1.7 32.6 34.0 2.4 33.1 4933,4938c4933,4938 < 21.4 33.6 7.8 25.9 33.0 7.1 25.6 33.9 8.1 25.0 < 35.0 4.1 29.2 34.3 4.1 28.6 35.0 5.0 29.6 31.3 < 4.7 28.9 31.8 4.3 28.2 31.5 4.3 29.7 40.6 15.0 < 21.8 39.8 14.9 21.3 41.2 14.2 21.6 35.5 10.9 23.1 < 35.3 11.3 23.9 36.4 11.3 22.9 34.3 16.3 23.8 34.0 < 15.9 22.9 33.9 17.1 23.8 39.2 14.8 28.0 38.7 15.6 --- > 21.4 33.6 7.8 25.9 33.0 7.1 25.6 33.9 8.2 25.1 > 35.0 4.1 29.2 34.4 4.1 28.6 35.0 5.0 29.6 31.3 > 4.7 28.9 31.7 4.3 28.2 31.5 4.3 29.7 40.6 15.0 > 21.8 39.8 14.8 21.3 41.2 14.2 21.7 35.5 10.9 23.1 > 35.3 11.3 23.9 36.3 11.4 22.8 34.3 16.3 23.8 34.1 > 15.8 23.0 33.9 17.1 23.7 39.2 14.8 28.0 38.7 15.6 4940,4942c4940,4942 < 29.1 6.4 27.5 39.1 12.3 27.1 39.2 13.2 27.5 39.8 < 12.3 26.5 29.5 8.5 20.8 28.8 9.2 21.0 29.5 8.5 < 19.8 31.8 3.8 24.6 31.7 3.4 23.8 31.3 3.1 25.2 --- > 29.1 6.5 27.5 39.1 12.3 27.1 39.2 13.2 27.5 39.8 > 12.2 26.5 29.5 8.5 20.8 28.9 9.2 21.0 29.5 8.6 > 19.8 31.8 3.8 24.6 31.7 3.3 23.8 31.4 3.1 25.3 4944c4944 < 22.8 19.6 35.6 22.7 20.3 36.1 23.7 19.2 35.1 11.2 --- > 22.8 19.6 35.7 22.7 20.4 36.1 23.7 19.2 35.1 11.2 4946,4948c4946,4948 < 36.2 12.8 25.1 35.7 11.9 26.3 33.4 15.4 21.3 32.5 < 15.1 21.3 33.5 15.9 20.5 38.4 16.9 26.4 37.7 16.4 < 26.0 38.1 17.8 26.4 37.7 8.6 26.1 37.1 8.2 26.7 --- > 36.2 12.7 25.0 35.7 11.8 26.2 33.4 15.4 21.3 32.5 > 15.1 21.2 33.5 15.9 20.5 38.4 16.9 26.5 37.7 16.4 > 26.0 38.2 17.8 26.4 37.7 8.6 26.1 37.1 8.2 26.7 4950,4953c4950,4953 < 19.8 27.1 25.6 12.4 25.5 25.3 12.0 24.7 25.0 12.0 < 26.2 31.6 12.0 27.5 31.6 11.0 27.4 30.8 12.2 27.8 < 33.8 16.4 18.8 33.5 15.7 18.1 34.7 16.6 18.6 30.3 < 10.3 24.6 29.5 10.9 24.8 30.5 9.9 25.4 32.8 19.7 --- > 19.8 27.1 25.6 12.4 25.5 25.4 12.0 24.7 25.0 11.9 > 26.1 31.6 12.0 27.5 31.6 11.0 27.4 30.8 12.2 27.9 > 33.8 16.4 18.8 33.5 15.8 18.1 34.7 16.6 18.6 30.3 > 10.3 24.6 29.5 10.8 24.9 30.5 9.8 25.4 32.8 19.7 4956,4957c4956,4957 < 14.9 23.4 41.5 15.7 24.7 28.9 7.6 30.5 29.5 7.5 < 29.8 28.1 7.5 30.1 41.7 15.9 28.4 41.9 16.3 29.2 --- > 14.9 23.4 41.4 15.6 24.7 28.9 7.6 30.5 29.5 7.5 > 29.8 28.0 7.4 30.2 41.7 15.9 28.4 42.0 16.3 29.2 4960,4962c4960,4962 < 30.9 27.3 12.3 22.6 26.4 12.3 23.0 27.3 11.6 22.0 < 27.3 8.6 25.6 27.5 9.4 26.0 28.1 8.0 25.7 27.7 < 7.3 32.9 28.1 7.4 32.1 26.8 7.6 32.8 42.4 16.9 --- > 30.9 27.3 12.3 22.6 26.4 12.3 23.1 27.3 11.5 22.0 > 27.3 8.6 25.6 27.5 9.4 26.0 28.1 8.1 25.6 27.7 > 7.3 32.9 28.1 7.3 32.1 26.8 7.5 32.8 42.4 16.9 4964,4965c4964,4965 < 33.1 7.4 34.8 34.5 6.8 34.7 38.2 15.9 37.4 37.9 < 15.4 36.6 37.7 16.7 37.3 35.4 14.2 34.1 35.3 14.8 --- > 33.2 7.4 34.9 34.5 6.7 34.8 38.2 15.9 37.4 37.8 > 15.4 36.7 37.6 16.7 37.5 35.4 14.2 34.1 35.3 14.8 4967c4967 < 32.0 18.2 29.8 34.3 22.9 21.5 34.8 22.6 22.3 33.9 --- > 32.0 18.2 29.8 34.3 22.9 21.5 34.9 22.6 22.3 33.9 4970c4970 < 37.3 14.9 17.6 37.2 14.6 16.7 36.8 15.7 17.7 30.9 --- > 37.3 14.9 17.6 37.3 14.6 16.7 36.8 15.7 17.6 30.9 4972,4974c4972,4974 < 35.9 40.1 18.4 35.0 40.5 19.8 35.6 29.2 7.9 35.1 < 28.6 8.2 35.8 28.7 8.0 34.3 29.5 8.2 18.0 28.6 < 8.0 17.7 30.0 7.4 17.7 39.9 16.9 34.0 39.1 16.4 --- > 35.9 40.0 18.4 35.1 40.4 19.8 35.6 29.2 7.9 35.1 > 28.7 8.2 35.9 28.6 8.2 34.4 29.5 8.2 18.0 28.6 > 8.0 17.7 30.1 7.5 17.7 39.9 16.9 34.0 39.1 16.4 4976c4976 < 20.6 14.0 27.2 25.2 7.6 31.9 25.2 7.0 31.2 24.7 --- > 20.6 14.1 27.2 25.2 7.6 31.9 25.2 7.0 31.2 24.7 4978,4980c4978,4980 < 30.3 33.5 20.9 24.7 32.8 21.6 24.6 34.3 21.4 24.9 < 35.8 7.0 27.3 36.0 6.1 27.2 34.9 7.1 27.0 44.0 < 12.4 29.2 44.1 13.3 28.8 43.4 11.9 28.6 34.3 20.6 --- > 30.3 33.5 20.9 24.7 32.8 21.6 24.5 34.3 21.4 24.9 > 35.8 7.0 27.3 36.0 6.1 27.2 34.8 7.1 27.1 44.0 > 12.4 29.2 44.1 13.3 28.8 43.5 11.9 28.6 34.3 20.6 4982,4983c4982,4983 < 36.0 16.3 24.1 37.1 15.2 24.2 31.4 9.3 27.0 31.1 < 8.6 27.5 32.2 9.0 26.5 41.1 12.6 25.4 41.3 13.4 --- > 36.0 16.3 24.0 37.1 15.3 24.1 31.4 9.3 27.0 31.1 > 8.6 27.4 32.2 9.0 26.5 41.1 12.6 25.4 41.4 13.4 4985,4987c4985,4987 < 29.4 19.1 33.2 38.1 17.5 22.1 38.1 17.2 23.0 37.4 < 17.0 21.7 37.1 2.6 29.0 36.4 3.2 29.0 37.4 2.4 < 29.9 37.2 11.3 31.3 37.2 12.2 30.9 38.1 11.1 31.3 --- > 29.4 19.1 33.2 38.1 17.5 22.1 38.1 17.3 23.0 37.4 > 17.0 21.7 37.1 2.6 29.0 36.5 3.3 29.0 37.4 2.4 > 29.8 37.2 11.3 31.3 37.2 12.2 30.9 38.1 11.1 31.3 4989c4989 < 21.6 23.1 36.3 21.3 22.2 36.8 21.2 23.6 34.7 13.8 --- > 21.6 23.1 36.3 21.4 22.2 36.8 21.2 23.6 34.7 13.8 4993,4997c4993,4997 < 30.8 19.7 10.3 29.6 32.1 24.1 31.9 32.4 24.0 32.8 < 32.7 24.5 31.4 27.2 4.7 33.6 27.4 5.6 33.6 27.4 < 4.4 32.7 27.4 8.7 36.9 27.9 8.1 37.5 26.4 8.5 < 37.1 37.6 18.4 36.5 38.6 18.4 36.5 37.3 18.6 35.7 < 24.8 11.2 23.2 25.3 10.4 23.5 23.9 10.8 23.1 35.9 --- > 30.9 19.9 10.3 29.6 32.1 24.1 31.9 32.4 24.0 32.8 > 32.7 24.5 31.4 27.2 4.7 33.6 27.4 5.7 33.5 27.4 > 4.4 32.7 27.4 8.7 36.9 27.9 8.2 37.5 26.4 8.5 > 37.1 37.6 18.4 36.5 38.6 18.4 36.4 37.3 18.7 35.7 > 24.8 11.2 23.2 25.3 10.5 23.6 23.9 10.9 23.2 35.9 4999,5002c4999,5002 < 28.9 26.3 8.9 29.1 27.5 8.7 28.2 38.1 18.7 30.4 < 37.2 18.4 30.5 38.6 18.0 30.8 30.4 5.6 34.4 30.7 < 5.0 35.1 30.0 6.3 34.8 26.4 9.0 23.1 26.1 8.1 < 23.0 26.7 8.9 24.0 35.5 19.8 27.8 35.3 18.8 28.0 --- > 28.9 26.3 8.9 29.1 27.5 8.8 28.2 38.1 18.7 30.4 > 37.2 18.4 30.5 38.6 18.0 30.8 30.5 5.5 34.4 30.8 > 4.9 35.1 30.1 6.3 34.9 26.4 9.0 23.1 26.1 8.1 > 23.0 26.7 9.0 24.0 35.5 19.8 27.8 35.3 18.8 28.0 5005,5006c5005,5006 < 29.2 31.1 6.5 32.0 30.8 6.4 32.9 30.3 6.9 31.6 < 31.7 3.9 31.5 32.6 3.9 31.9 31.4 4.8 31.7 31.6 --- > 29.2 31.1 6.5 32.0 30.8 6.4 32.9 30.3 6.9 31.5 > 31.7 3.9 31.5 32.6 3.9 31.9 31.5 4.8 31.7 31.6 5008,5019c5008,5019 < 23.2 34.5 9.4 23.2 33.9 8.4 22.3 28.6 9.9 27.5 < 29.6 9.7 27.5 28.7 10.8 28.0 31.2 7.4 28.9 31.3 < 6.5 28.9 31.9 7.8 29.4 33.0 7.9 30.9 33.0 8.7 < 31.4 32.3 7.4 31.3 38.5 21.0 24.2 38.9 20.4 23.6 < 39.2 21.8 24.2 24.2 12.4 31.9 23.6 12.8 31.3 25.0 < 12.8 31.8 31.4 6.3 25.2 31.7 5.5 24.8 31.0 6.8 < 24.5 33.1 4.0 27.2 33.9 3.5 27.0 32.6 4.0 26.4 < 44.4 14.5 25.0 44.6 13.8 24.4 43.6 14.8 24.8 39.3 < 19.9 21.9 40.0 19.7 21.2 39.1 19.0 22.1 24.2 10.7 < 34.3 23.7 11.0 35.0 24.1 11.3 33.6 41.2 17.5 22.4 < 41.5 17.9 21.7 40.9 16.6 22.1 31.9 20.0 34.5 32.4 < 19.5 35.2 32.5 20.4 33.9 33.2 23.8 27.3 32.7 23.3 --- > 23.2 34.5 9.4 23.2 33.9 8.4 22.3 28.6 10.0 27.5 > 29.6 9.7 27.5 28.7 10.7 28.1 31.2 7.4 28.9 31.3 > 6.5 28.9 31.9 7.8 29.5 33.0 7.9 30.9 33.0 8.7 > 31.4 32.2 7.4 31.2 38.6 21.0 24.2 38.9 20.4 23.6 > 39.1 21.8 24.1 24.2 12.4 31.9 23.6 12.8 31.3 25.0 > 12.8 31.8 31.4 6.3 25.2 31.7 5.6 24.8 31.0 6.9 > 24.6 33.1 4.0 27.2 33.9 3.5 27.0 32.6 4.0 26.4 > 44.4 14.5 25.0 44.6 13.8 24.3 43.6 14.8 24.8 39.3 > 19.9 21.8 40.0 19.7 21.2 39.1 19.0 22.2 24.3 10.6 > 34.3 23.7 10.9 35.0 24.1 11.3 33.6 41.2 17.5 22.4 > 41.5 17.9 21.7 40.9 16.6 22.1 31.9 20.0 34.5 32.3 > 19.6 35.2 32.5 20.3 33.9 33.2 23.8 27.2 32.7 23.3 5023,5029c5023,5029 < 29.0 31.5 8.6 38.7 31.0 8.9 38.0 32.2 8.1 38.2 < 41.8 17.6 37.5 41.1 17.8 37.0 41.8 18.0 38.4 41.8 < 15.2 34.6 42.2 14.8 35.5 41.7 14.4 34.1 30.5 18.4 < 22.6 30.4 19.2 22.0 31.4 18.4 22.9 38.5 10.2 36.2 < 39.4 10.3 35.8 38.5 10.9 36.9 31.9 8.8 34.9 31.0 < 8.4 35.0 31.8 9.6 35.3 43.8 17.0 35.5 43.3 17.2 < 36.3 43.2 16.6 34.9 44.0 14.6 27.7 44.9 14.9 28.0 --- > 29.0 31.5 8.6 38.7 31.0 8.9 37.9 32.2 8.1 38.2 > 41.8 17.6 37.5 41.0 17.8 37.1 41.8 18.0 38.4 41.8 > 15.2 34.6 42.3 14.9 35.4 41.7 14.4 34.1 30.5 18.4 > 22.6 30.4 19.1 22.0 31.4 18.5 22.9 38.5 10.2 36.2 > 39.4 10.3 35.9 38.4 10.9 36.9 31.9 8.8 34.9 31.0 > 8.4 35.1 31.9 9.6 35.4 43.8 17.0 35.5 43.2 17.2 > 36.3 43.3 16.5 34.9 44.0 14.6 27.7 44.9 14.9 28.0 5031,5038c5031,5038 < 13.3 33.3 28.8 14.5 23.1 28.2 13.9 22.7 29.5 14.7 < 22.6 33.8 4.2 33.3 34.6 4.4 32.9 33.6 4.9 33.9 < 27.2 10.2 20.9 26.4 10.2 20.4 27.0 9.7 21.7 33.6 < 20.7 20.0 32.8 20.5 19.6 33.6 21.4 20.5 39.7 10.3 < 31.4 40.6 10.3 31.2 39.6 9.8 32.2 36.0 5.3 32.3 < 35.8 5.7 31.5 36.1 6.0 32.9 37.0 20.5 20.8 37.8 < 20.4 21.1 37.0 21.2 20.2 38.8 20.2 17.5 38.6 19.6 < 18.2 39.7 20.4 17.6 42.6 12.2 31.5 42.5 11.2 31.4 --- > 13.3 33.3 28.8 14.5 23.2 28.2 13.9 22.7 29.5 14.6 > 22.6 33.8 4.2 33.3 34.6 4.4 32.9 33.7 4.9 34.0 > 27.2 10.2 20.9 26.4 10.3 20.4 27.0 9.7 21.7 33.6 > 20.7 20.0 32.8 20.5 19.7 33.5 21.4 20.6 39.7 10.4 > 31.4 40.6 10.3 31.1 39.6 9.8 32.2 36.0 5.3 32.3 > 35.7 5.7 31.5 36.2 6.0 32.9 37.0 20.5 20.8 37.8 > 20.4 21.2 37.0 21.3 20.2 38.8 20.2 17.5 38.6 19.6 > 18.2 39.7 20.4 17.6 42.6 12.2 31.5 42.5 11.2 31.3 5040,5042c5040,5042 < 11.4 17.2 42.4 9.5 31.2 41.9 8.9 30.7 43.1 9.0 < 31.6 39.5 3.1 27.9 38.8 3.1 28.5 40.0 2.4 28.1 < 47.9 13.7 29.1 48.6 13.8 29.7 47.2 13.2 29.5 46.3 --- > 11.4 17.2 42.4 9.5 31.2 42.0 8.9 30.6 43.1 9.0 > 31.6 39.4 3.1 27.9 38.8 3.1 28.6 40.1 2.4 28.1 > 47.9 13.7 29.1 48.6 13.8 29.7 47.2 13.2 29.6 46.3 5044,5046c5044,5046 < 39.5 35.5 16.2 39.8 34.4 15.6 39.0 30.8 10.4 17.4 < 30.4 9.6 17.7 31.0 10.3 16.5 23.6 11.5 27.0 23.4 < 10.6 26.7 22.8 11.9 27.2 26.5 13.7 31.9 26.7 14.6 --- > 39.5 35.5 16.1 39.8 34.4 15.6 39.0 30.8 10.4 17.4 > 30.4 9.6 17.6 31.0 10.3 16.5 23.6 11.5 27.1 23.4 > 10.6 26.7 22.8 11.9 27.1 26.5 13.7 31.9 26.7 14.6 5048,5049c5048,5049 < 34.9 2.4 24.7 35.4 2.8 26.4 36.0 3.5 26.3 35.9 < 2.2 27.0 31.5 10.4 40.5 30.6 10.6 40.5 31.7 9.8 --- > 35.0 2.5 24.7 35.4 2.8 26.4 36.0 3.5 26.3 35.9 > 2.2 27.0 31.5 10.4 40.5 30.6 10.5 40.6 31.7 9.8 5053c5053 < 26.5 37.6 5.1 25.7 38.0 4.3 26.9 29.9 13.4 38.8 --- > 26.5 37.5 5.2 25.7 38.0 4.3 26.9 29.9 13.4 38.8 5056,5059c5056,5059 < 32.6 27.0 16.1 33.3 27.8 15.2 34.7 28.6 15.6 34.9 < 28.0 14.4 34.3 36.9 7.8 23.6 36.0 8.0 23.6 37.2 < 8.0 22.7 40.5 8.8 25.5 41.1 8.8 26.2 39.6 8.8 < 25.9 42.8 8.3 26.7 43.2 7.9 26.0 43.0 7.7 27.5 --- > 32.6 27.1 16.1 33.3 27.8 15.2 34.7 28.6 15.6 35.0 > 28.1 14.4 34.3 36.9 7.8 23.6 36.0 8.0 23.6 37.2 > 8.0 22.7 40.5 8.8 25.5 41.0 8.7 26.2 39.6 8.8 > 25.8 42.8 8.3 26.7 43.2 7.9 26.0 43.0 7.7 27.5 5061,5067c5061,5067 < 17.5 17.9 37.0 17.9 18.4 35.8 18.3 17.6 37.6 13.6 < 24.2 38.5 13.6 24.5 37.6 13.2 23.3 40.8 10.6 23.6 < 40.4 9.8 24.1 40.7 11.3 24.3 45.2 10.9 26.3 44.4 < 10.9 26.6 45.1 11.2 25.4 29.2 22.1 29.0 29.4 22.4 < 29.9 28.3 21.9 29.1 38.7 18.0 19.3 39.3 17.3 18.9 < 38.8 17.9 20.3 38.2 14.9 20.3 38.2 14.9 19.3 37.5 < 15.5 20.5 22.3 8.7 34.1 23.0 9.3 34.3 21.5 9.0 --- > 17.5 17.9 37.0 17.9 18.4 35.8 18.3 17.5 37.6 13.6 > 24.2 38.5 13.5 24.5 37.6 13.2 23.3 40.8 10.6 23.6 > 40.4 9.8 24.0 40.7 11.3 24.3 45.2 10.9 26.3 44.4 > 10.8 26.6 45.1 11.2 25.4 29.2 22.1 29.0 29.4 22.4 > 29.9 28.3 21.9 29.1 38.7 18.0 19.3 39.3 17.4 18.9 > 38.8 17.9 20.3 38.2 14.9 20.3 38.3 14.9 19.3 37.6 > 15.6 20.5 22.3 8.6 34.1 23.0 9.2 34.3 21.6 9.0 5069c5069 < 33.1 4.7 20.8 32.4 5.3 20.7 33.8 5.0 20.1 29.7 --- > 33.1 4.7 20.8 32.4 5.2 20.6 33.8 5.0 20.2 29.7 5074,5075c5074,5075 < 28.9 44.3 27.8 29.8 40.1 29.8 25.8 39.8 29.9 24.8 < 39.9 28.8 25.9 44.8 29.9 36.5 45.4 30.0 35.8 45.3 --- > 28.9 44.3 27.8 29.8 40.1 29.8 25.7 39.9 29.9 24.8 > 39.9 28.8 25.9 44.8 29.9 36.5 45.4 30.1 35.8 45.3 5078c5078 < 40.3 31.7 20.8 40.8 30.9 21.1 40.4 32.3 21.4 41.1 --- > 40.3 31.7 20.8 40.8 30.9 21.1 40.4 32.4 21.4 41.1 5081c5081 < 41.5 26.8 18.7 40.5 27.7 19.4 47.4 26.4 27.8 47.7 --- > 41.5 26.8 18.7 40.5 27.8 19.4 47.4 26.4 27.8 47.7 5084,5087c5084,5087 < 52.1 25.7 28.6 41.5 29.3 21.5 41.7 28.6 22.2 41.6 < 28.8 20.7 43.6 28.1 25.6 43.2 27.6 26.3 44.5 27.9 < 25.5 49.2 20.2 32.2 48.5 20.7 32.4 49.1 19.4 32.8 < 44.2 23.9 21.0 43.7 24.7 21.0 44.8 24.0 20.2 45.6 --- > 52.1 25.7 28.6 41.5 29.3 21.5 41.7 28.6 22.1 41.7 > 28.8 20.6 43.6 28.1 25.6 43.3 27.6 26.3 44.5 27.9 > 25.5 49.2 20.2 32.2 48.5 20.8 32.4 49.1 19.4 32.8 > 44.3 23.9 21.0 43.6 24.6 20.9 44.7 24.0 20.2 45.6 5093c5093 < 41.4 37.6 24.8 41.7 27.1 35.7 41.0 26.7 36.3 41.8 --- > 41.4 37.6 24.7 41.7 27.1 35.7 41.0 26.7 36.2 41.7 5096,5097c5096,5097 < 42.2 29.5 36.8 43.2 29.5 36.9 41.9 30.4 37.0 48.6 < 30.3 34.8 49.0 29.9 34.0 47.7 30.1 34.7 43.8 25.4 --- > 42.2 29.5 36.8 43.1 29.5 37.0 41.9 30.4 37.0 48.6 > 30.3 34.8 48.9 29.9 33.9 47.7 30.1 34.7 43.8 25.4 5099,5100c5099,5100 < 46.6 31.2 29.0 46.5 31.1 30.5 51.9 31.7 26.2 51.0 < 31.7 25.8 51.7 31.4 27.2 46.1 23.2 34.7 46.1 24.1 --- > 46.6 31.2 29.0 46.5 31.1 30.5 51.9 31.7 26.3 51.0 > 31.7 25.8 51.7 31.4 27.2 46.1 23.2 34.7 46.1 24.2 5106c5106 < 25.7 37.4 39.6 26.4 37.4 39.6 24.9 37.3 36.0 25.6 --- > 25.7 37.4 39.6 26.5 37.3 39.6 24.9 37.4 36.0 25.6 5109c5109 < 27.4 25.6 38.6 27.2 24.3 42.8 31.8 32.3 42.4 32.0 --- > 27.4 25.6 38.7 27.3 24.3 42.8 31.8 32.3 42.4 32.0 5111,5113c5111,5113 < 35.0 25.4 30.4 43.9 33.5 23.0 44.1 34.3 23.6 44.6 < 33.6 22.3 41.1 19.1 39.5 40.9 18.5 40.2 41.4 19.9 < 40.0 37.0 31.3 23.7 37.5 32.1 23.9 37.8 30.7 23.6 --- > 35.0 25.4 30.4 43.9 33.5 23.0 44.1 34.3 23.5 44.6 > 33.6 22.3 41.1 19.1 39.5 41.0 18.4 40.2 41.4 19.9 > 40.0 37.0 31.3 23.8 37.5 32.1 23.8 37.7 30.7 23.5 5115,5117c5115,5117 < 22.6 38.3 44.3 22.7 38.5 43.3 22.5 37.4 38.0 26.3 < 34.4 38.3 25.4 34.0 37.1 26.3 34.4 44.8 35.1 35.7 < 44.8 34.2 35.9 45.7 35.2 35.3 39.6 35.7 31.4 39.9 --- > 22.6 38.3 44.3 22.7 38.5 43.2 22.5 37.4 38.0 26.3 > 34.4 38.3 25.4 34.0 37.1 26.3 34.4 44.8 35.1 35.6 > 44.8 34.2 36.0 45.7 35.2 35.3 39.6 35.7 31.4 39.9 5119c5119 < 34.2 48.2 35.0 35.5 44.3 32.6 36.6 44.6 31.6 36.5 --- > 34.2 48.2 35.0 35.5 44.3 32.6 36.6 44.6 31.7 36.4 5122c5122 < 25.2 45.6 27.7 21.0 45.2 28.5 21.2 44.8 27.1 21.0 --- > 25.2 45.6 27.7 21.0 45.2 28.5 21.2 44.8 27.1 20.9 5126,5129c5126,5129 < 51.0 29.7 22.3 52.3 28.9 22.0 46.2 25.4 23.8 46.0 < 26.2 24.4 46.6 25.8 23.1 45.1 31.2 23.7 44.9 30.6 < 23.0 44.6 32.0 23.5 49.4 30.6 28.2 48.7 31.1 28.6 < 50.2 30.9 28.5 39.6 22.1 26.8 40.5 21.9 26.5 39.5 --- > 51.0 29.7 22.3 52.3 28.9 22.0 46.2 25.4 23.8 45.9 > 26.2 24.4 46.6 25.8 23.0 45.1 31.2 23.8 45.0 30.5 > 23.1 44.7 32.0 23.3 49.4 30.6 28.2 48.7 31.1 28.6 > 50.2 30.9 28.5 39.6 22.1 26.8 40.5 21.9 26.5 39.6 5131,5134c5131,5134 < 26.9 40.3 23.8 20.8 39.5 24.3 20.8 40.5 23.8 19.8 < 41.6 19.1 24.5 41.4 18.6 23.7 41.6 18.4 25.2 44.4 < 29.7 16.8 43.4 29.8 16.9 44.5 28.8 17.0 47.5 38.0 < 19.7 46.6 37.8 20.0 47.4 38.9 19.4 45.6 26.7 29.8 --- > 26.9 40.3 23.8 20.8 39.4 24.3 20.8 40.5 23.8 19.9 > 41.6 19.1 24.5 41.3 18.6 23.7 41.6 18.4 25.2 44.4 > 29.7 16.8 43.4 29.8 16.9 44.5 28.8 16.9 47.5 38.0 > 19.7 46.6 37.8 20.0 47.4 38.9 19.3 45.6 26.7 29.8 5137c5137 < 21.4 44.5 30.3 20.5 49.5 32.3 25.3 48.8 31.7 25.3 --- > 21.4 44.5 30.3 20.5 49.5 32.3 25.3 48.8 31.7 25.4 5141c5141 < 36.1 27.5 25.6 35.8 27.3 24.7 35.6 26.9 26.2 42.2 --- > 36.1 27.5 25.6 35.8 27.3 24.7 35.6 26.9 26.1 42.2 5143c5143 < 19.1 44.8 30.9 18.3 45.7 31.6 19.2 40.8 25.4 24.8 --- > 19.1 44.8 30.9 18.2 45.7 31.6 19.2 40.8 25.4 24.8 5145,5146c5145,5146 < 35.3 26.1 44.3 35.0 27.3 46.4 25.8 34.1 47.0 26.0 < 34.8 46.8 26.1 33.3 52.2 29.0 25.3 52.0 29.0 24.4 --- > 35.3 26.1 44.3 35.0 27.3 46.4 25.8 34.1 46.9 26.1 > 34.8 46.8 26.1 33.3 52.2 29.0 25.3 52.1 29.0 24.4 5151c5151 < 27.5 22.6 37.0 27.3 22.8 38.2 26.6 22.2 37.6 23.7 --- > 27.5 22.6 37.0 27.3 22.8 38.2 26.6 22.3 37.6 23.7 5154,5156c5154,5156 < 32.8 31.8 53.3 31.3 31.7 43.7 22.4 35.7 43.3 23.2 < 35.5 44.5 22.4 35.2 49.0 30.9 37.4 48.8 30.7 36.5 < 48.8 31.9 37.4 46.1 29.6 34.0 45.9 30.3 33.3 46.0 --- > 32.8 31.8 53.3 31.3 31.7 43.7 22.4 35.7 43.3 23.3 > 35.5 44.5 22.4 35.2 49.0 30.9 37.4 48.8 30.7 36.4 > 48.9 31.9 37.4 46.1 29.6 34.0 45.9 30.3 33.3 46.0 5158c5158 < 29.7 45.3 37.7 21.3 45.7 37.3 22.1 44.9 38.5 21.7 --- > 29.7 45.3 37.7 21.3 45.7 37.2 22.1 44.9 38.4 21.8 5163,5164c5163,5164 < 33.8 35.3 50.5 35.2 35.5 40.0 23.3 34.9 39.4 23.5 < 35.6 39.5 23.6 34.1 39.5 40.6 29.2 39.3 41.1 30.0 --- > 33.7 35.4 50.5 35.2 35.5 40.0 23.3 34.9 39.5 23.6 > 35.7 39.5 23.7 34.2 39.5 40.6 29.2 39.3 41.1 30.0 5166,5167c5166,5167 < 22.7 17.7 50.5 32.2 34.5 49.7 31.6 34.7 51.2 31.6 < 34.5 32.9 28.7 27.1 33.7 29.0 26.5 32.2 29.3 26.8 --- > 22.7 17.7 50.5 32.2 34.5 49.8 31.7 34.9 51.2 31.6 > 34.6 32.9 28.7 27.1 33.7 29.0 26.5 32.2 29.3 26.8 5170,5171c5170,5171 < 24.5 43.4 36.6 24.4 44.9 36.3 24.8 46.1 22.5 27.6 < 46.4 21.6 27.3 45.4 22.7 27.1 54.1 28.2 29.6 54.0 --- > 24.5 43.5 36.6 24.3 44.9 36.3 24.7 46.1 22.5 27.6 > 46.4 21.6 27.3 45.4 22.7 27.0 54.1 28.2 29.6 54.0 5173c5173 < 31.9 44.1 36.9 31.5 47.4 30.8 25.3 46.4 30.9 25.2 --- > 31.9 44.1 36.9 31.5 47.4 30.8 25.3 46.4 31.0 25.0 5175c5175 < 24.1 26.8 52.2 26.3 25.7 52.4 27.2 25.4 52.5 26.3 --- > 24.1 26.8 52.2 26.3 25.7 52.4 27.2 25.4 52.6 26.3 5177c5177 < 49.8 32.9 22.6 50.0 32.6 23.5 48.9 32.5 22.4 48.9 --- > 49.8 32.9 22.7 49.9 32.6 23.6 48.9 32.5 22.4 48.9 5181,5182c5181,5182 < 36.0 22.3 47.6 36.1 23.8 45.5 28.8 38.9 44.8 28.4 < 39.3 46.3 28.4 39.3 35.3 33.0 31.8 36.2 32.6 31.6 --- > 36.0 22.3 47.7 36.1 23.8 45.6 28.8 38.9 44.8 28.4 > 39.3 46.3 28.3 39.2 35.3 33.0 31.8 36.2 32.6 31.6 5188,5190c5188,5190 < 38.0 49.0 34.1 37.4 47.9 34.3 38.4 35.4 26.3 23.2 < 35.9 25.5 23.3 34.5 26.0 23.1 47.1 36.9 29.2 46.6 < 36.2 28.8 47.8 37.2 28.5 37.6 23.4 29.2 37.0 24.2 --- > 38.0 49.0 34.1 37.4 48.0 34.3 38.4 35.4 26.3 23.2 > 36.0 25.5 23.2 34.5 26.0 23.0 47.1 36.9 29.2 46.6 > 36.2 28.8 47.8 37.2 28.5 37.6 23.4 29.2 37.0 24.1 5192,5193c5192,5193 < 48.9 33.5 31.0 41.5 21.0 34.9 42.4 21.2 35.2 41.0 < 21.9 35.2 37.0 24.1 23.2 36.8 23.2 22.9 37.1 24.0 --- > 48.9 33.5 31.0 41.5 21.1 34.9 42.3 21.1 35.3 41.0 > 21.8 35.4 37.0 24.1 23.2 36.8 23.3 22.9 37.2 24.0 5195c5195 < 40.2 23.1 23.5 40.1 23.4 22.6 40.6 23.9 23.9 50.4 --- > 40.2 23.1 23.5 40.1 23.3 22.6 40.6 23.9 23.9 50.4 5199c5199 < 22.5 20.7 41.6 22.6 20.7 45.1 23.1 23.5 45.7 23.8 --- > 22.5 20.6 41.6 22.6 20.7 45.1 23.0 23.5 45.7 23.8 5201c5201 < 39.3 26.0 27.8 41.7 22.5 29.2 42.0 21.6 29.1 42.4 --- > 39.3 26.0 27.7 41.7 22.5 29.2 42.0 21.6 29.1 42.4 5203c5203 < 31.7 49.5 36.0 24.3 50.0 36.1 23.5 50.2 36.2 25.0 --- > 31.7 49.6 36.0 24.3 50.0 36.2 23.5 50.2 36.2 25.0 5207,5210c5207,5210 < 54.6 30.6 25.0 54.0 29.3 25.6 50.7 35.4 21.9 51.7 < 35.5 21.9 50.5 34.5 22.2 35.5 26.6 34.3 34.9 26.4 < 35.0 35.0 27.1 33.6 54.0 31.4 23.4 54.2 31.9 22.6 < 53.2 31.0 23.2 43.0 35.4 33.8 43.5 35.4 34.5 43.6 --- > 54.6 30.6 24.9 54.0 29.3 25.6 50.7 35.4 21.9 51.7 > 35.5 21.9 50.5 34.5 22.2 35.5 26.6 34.3 34.8 26.4 > 34.9 35.1 27.1 33.6 54.0 31.4 23.4 54.2 31.9 22.6 > 53.2 31.0 23.2 43.0 35.4 33.8 43.5 35.3 34.5 43.6 5215,5220c5215,5220 < 39.3 40.7 24.5 38.6 41.9 23.5 38.9 51.8 33.5 38.0 < 51.2 33.8 37.3 51.6 34.1 38.7 52.3 30.4 35.2 52.3 < 30.7 36.1 52.5 29.5 35.2 41.3 33.5 22.6 41.2 34.3 < 22.1 42.2 33.4 22.7 48.5 26.0 36.1 49.4 26.0 35.7 < 48.7 26.3 37.0 42.4 24.6 35.0 41.5 24.1 35.0 42.2 < 25.4 35.3 54.7 31.7 34.8 54.4 32.5 35.3 53.8 31.2 --- > 39.3 40.7 24.4 38.6 41.8 23.4 38.9 51.8 33.5 38.0 > 51.2 33.7 37.3 51.5 34.1 38.7 52.3 30.4 35.2 52.2 > 30.7 36.1 52.6 29.5 35.3 41.3 33.5 22.6 41.2 34.3 > 22.1 42.2 33.4 22.7 48.5 26.0 36.1 49.4 25.9 35.7 > 48.6 26.2 37.0 42.4 24.6 35.0 41.6 24.1 35.1 42.3 > 25.4 35.5 54.7 31.7 34.8 54.4 32.5 35.4 53.9 31.2 5223,5225c5223,5225 < 29.8 23.1 38.7 28.9 22.9 40.0 29.8 22.7 45.1 19.5 < 33.4 45.7 20.2 33.2 45.0 19.5 34.4 38.0 25.3 20.9 < 37.3 25.4 20.3 37.7 24.6 21.5 46.3 15.9 28.2 46.9 --- > 29.8 23.2 38.7 28.9 22.9 40.0 29.8 22.7 45.1 19.5 > 33.4 45.7 20.2 33.2 45.0 19.5 34.4 38.0 25.3 21.0 > 37.3 25.4 20.3 37.7 24.5 21.5 46.3 15.9 28.2 46.9 5227c5227 < 19.4 44.9 36.3 20.4 50.0 25.4 31.8 50.4 26.2 32.0 --- > 19.4 45.0 36.3 20.4 50.0 25.4 31.8 50.4 26.2 32.0 5232c5232 < 27.1 17.3 44.9 26.6 18.0 43.5 26.6 17.3 54.2 25.2 --- > 27.1 17.3 44.8 26.6 18.0 43.5 26.6 17.3 54.2 25.2 5238,5242c5238,5242 < 28.8 32.3 44.1 18.8 23.1 43.1 18.9 23.3 44.5 18.8 < 24.0 45.3 18.4 25.5 45.9 19.1 25.7 45.8 17.8 24.9 < 41.7 25.7 41.2 41.1 26.4 40.9 41.6 25.1 40.5 41.4 < 21.1 17.4 42.2 21.5 17.1 41.5 20.2 17.2 33.6 29.0 < 29.7 33.2 28.7 28.9 34.4 29.5 29.4 49.5 19.9 23.4 --- > 28.8 32.3 44.1 18.8 23.1 43.2 19.0 23.3 44.5 18.8 > 23.9 45.3 18.4 25.5 46.0 19.1 25.7 45.8 17.8 24.9 > 41.7 25.7 41.2 41.2 26.5 40.8 41.7 25.1 40.4 41.4 > 21.2 17.4 42.2 21.5 17.1 41.5 20.2 17.2 33.6 29.0 > 29.7 33.2 28.7 28.9 34.4 29.5 29.4 49.5 19.9 23.5 5244c5244 < 20.9 25.3 47.9 20.0 26.4 40.6 28.7 39.0 40.5 29.6 --- > 20.9 25.3 47.9 19.9 26.4 40.6 28.7 39.0 40.5 29.6 5248c5248 < 34.0 47.6 21.8 23.7 46.7 22.0 23.6 48.1 22.2 23.0 --- > 34.0 47.6 21.8 23.7 46.7 22.0 23.6 48.0 22.2 23.0 5252c5252 < 48.0 32.8 19.3 46.9 33.0 18.2 48.3 28.5 24.1 48.9 --- > 48.0 32.7 19.3 46.9 33.0 18.3 48.3 28.5 24.1 48.9 5256,5257c5256,5257 < 33.1 20.8 49.4 29.8 21.8 49.4 29.7 20.8 48.5 30.2 < 22.0 33.3 24.1 34.4 34.1 23.7 34.3 33.5 24.9 34.9 --- > 33.1 20.8 49.4 29.8 21.8 49.3 29.7 20.8 48.5 30.1 > 22.0 33.3 24.1 34.4 34.2 23.7 34.3 33.5 24.9 34.8 5259c5259 < 19.4 20.5 42.1 20.2 20.7 41.7 19.2 19.6 40.7 38.2 --- > 19.4 20.5 42.1 20.2 20.8 41.8 19.2 19.6 40.7 38.2 5262,5266c5262,5266 < 15.6 24.6 46.9 16.2 25.2 39.5 21.3 38.5 40.0 20.5 < 38.6 38.6 21.0 38.8 54.2 44.2 29.5 54.0 43.4 29.0 < 54.5 44.8 28.8 50.8 45.5 26.3 50.3 45.3 25.5 50.6 < 44.8 26.9 54.7 44.0 35.2 55.6 44.3 34.9 54.8 43.2 < 35.7 48.8 47.8 29.2 49.6 47.4 29.2 48.6 48.0 30.1 --- > 15.6 24.5 46.9 16.2 25.2 39.5 21.3 38.5 40.0 20.5 > 38.5 38.6 20.9 38.8 54.2 44.2 29.5 54.0 43.4 29.0 > 54.5 44.8 28.8 50.8 45.5 26.3 50.2 45.3 25.6 50.6 > 44.8 26.9 54.7 44.0 35.2 55.5 44.3 34.9 54.8 43.3 > 35.8 48.8 47.8 29.2 49.6 47.4 29.2 48.6 48.0 30.1 5268,5273c5268,5273 < 47.1 35.8 51.4 47.0 35.5 50.6 47.5 36.7 52.8 45.4 < 31.4 53.4 45.0 30.8 52.8 44.8 32.2 52.5 41.7 19.6 < 52.4 41.0 18.9 51.6 42.1 19.6 53.1 43.3 21.7 53.2 < 42.6 22.3 52.9 42.9 20.9 54.4 43.0 25.5 53.8 43.0 < 26.3 55.3 42.8 25.8 53.7 37.7 19.9 54.0 38.3 20.5 < 53.1 38.2 19.3 50.6 43.9 28.6 49.7 44.0 28.6 50.9 --- > 47.1 35.8 51.5 47.0 35.6 50.6 47.4 36.7 52.8 45.4 > 31.4 53.4 45.0 30.8 52.8 44.8 32.2 52.5 41.6 19.6 > 52.3 41.0 18.9 51.7 42.1 19.6 53.1 43.3 21.7 53.2 > 42.6 22.3 52.8 43.0 20.9 54.4 43.0 25.5 53.8 42.9 > 26.3 55.3 42.8 25.8 53.7 37.7 19.9 54.0 38.3 20.6 > 53.1 38.2 19.4 50.6 43.9 28.6 49.7 44.0 28.6 50.9 5276,5277c5276,5277 < 54.1 41.7 36.3 53.2 42.0 36.5 54.4 41.3 37.1 53.0 < 44.2 37.5 53.5 44.2 36.7 52.8 45.1 37.6 54.4 41.1 --- > 54.1 41.7 36.3 53.2 42.1 36.5 54.4 41.3 37.1 53.0 > 44.2 37.5 53.5 44.2 36.7 52.7 45.1 37.6 54.4 41.1 5280,5281c5280,5281 < 47.0 29.2 51.7 45.9 30.3 53.3 41.3 23.5 53.8 41.7 < 24.2 52.6 40.8 24.0 51.5 41.4 37.0 51.1 42.2 37.4 --- > 47.0 29.2 51.7 45.9 30.3 53.3 41.3 23.5 53.8 41.8 > 24.2 52.7 40.8 24.0 51.5 41.4 37.0 51.1 42.2 37.5 5283,5284c5283,5284 < 42.5 28.3 49.3 40.8 26.0 48.9 41.3 26.8 49.3 41.3 < 25.3 53.4 47.9 32.5 53.4 47.7 33.5 53.2 47.1 32.1 --- > 42.5 28.3 49.3 40.8 26.0 48.9 41.3 26.7 49.3 41.3 > 25.2 53.4 47.9 32.5 53.4 47.7 33.5 53.2 47.1 32.1 5289,5293c5289,5293 < 38.1 35.8 54.6 37.3 36.8 49.1 41.7 35.2 48.8 40.8 < 35.6 48.4 41.8 34.5 49.6 51.0 32.5 50.4 51.3 32.2 < 48.9 51.6 32.1 53.3 46.6 35.1 53.7 45.7 35.1 53.5 < 46.9 36.0 45.7 45.9 25.2 46.5 46.2 24.9 45.7 44.9 < 25.0 55.1 38.3 26.7 54.6 37.6 26.3 56.0 38.1 26.6 --- > 38.1 35.8 54.6 37.4 36.8 49.1 41.6 35.2 48.8 40.9 > 35.7 48.4 41.9 34.6 49.6 51.0 32.5 50.4 51.3 32.3 > 48.9 51.6 32.2 53.3 46.6 35.1 53.7 45.7 35.1 53.5 > 47.0 36.0 45.7 45.9 25.2 46.5 46.2 24.8 45.6 45.0 > 24.9 55.1 38.3 26.7 54.6 37.6 26.3 56.0 38.1 26.6 5296c5296 < 21.6 50.3 39.3 21.4 51.0 38.1 20.7 53.9 33.3 25.5 --- > 21.6 50.3 39.3 21.3 51.1 38.1 20.7 53.9 33.3 25.5 5298,5300c5298,5300 < 44.2 18.4 53.6 43.1 18.7 54.7 45.4 22.3 54.2 44.6 < 22.1 55.6 45.2 22.3 45.5 43.2 24.7 45.5 42.6 23.9 < 45.5 42.7 25.4 53.0 42.4 27.8 52.9 41.5 27.6 52.1 --- > 44.2 18.4 53.6 43.1 18.8 54.7 45.4 22.2 54.2 44.6 > 22.2 55.6 45.2 22.4 45.5 43.2 24.7 45.5 42.6 23.9 > 45.5 42.6 25.4 53.0 42.4 27.8 52.9 41.5 27.6 52.1 5304,5308c5304,5308 < 47.4 26.2 53.3 47.0 25.7 52.0 46.6 26.3 48.6 42.2 < 23.7 47.6 41.9 23.6 49.0 41.5 23.3 48.5 38.2 26.1 < 48.6 39.1 26.3 49.4 37.8 26.3 49.4 39.1 32.7 49.9 < 38.6 32.1 48.5 38.9 32.6 53.7 49.8 30.7 53.8 49.2 < 31.4 53.3 49.3 30.0 50.2 43.5 33.3 50.0 43.0 34.0 --- > 47.4 26.2 53.4 47.0 25.7 52.0 46.6 26.4 48.6 42.2 > 23.7 47.7 41.9 23.5 49.1 41.5 23.4 48.5 38.2 26.1 > 48.7 39.1 26.3 49.4 37.8 26.3 49.4 39.1 32.7 49.9 > 38.6 32.1 48.5 38.9 32.6 53.7 49.8 30.7 53.9 49.2 > 31.4 53.3 49.2 30.0 50.2 43.5 33.3 49.9 43.0 34.0 5310c5310 < 43.8 33.8 50.9 39.1 34.9 50.2 39.0 35.6 50.3 39.0 --- > 43.8 33.8 50.9 39.1 34.9 50.3 39.0 35.6 50.3 39.0 5312c5312 < 43.9 44.8 27.0 44.5 45.3 26.6 43.1 45.2 26.8 46.9 --- > 43.9 44.8 27.0 44.5 45.3 26.5 43.1 45.2 26.8 46.9 5315c5315 < 47.2 49.0 31.7 46.2 49.8 32.5 41.9 41.9 29.0 42.4 --- > 47.2 49.0 31.7 46.2 49.9 32.5 41.9 41.9 29.0 42.4 5317,5322c5317,5322 < 32.4 48.4 35.6 31.8 48.9 39.2 36.7 49.3 38.8 37.5 < 48.0 39.1 36.8 46.1 41.1 23.0 46.5 40.3 23.2 45.3 < 40.8 22.6 49.3 39.6 29.2 48.6 40.2 29.0 50.0 40.2 < 29.5 51.6 36.4 35.2 52.3 36.5 35.8 51.2 37.3 35.1 < 47.7 39.0 23.5 47.4 38.1 23.3 48.1 38.9 24.4 52.3 < 37.6 23.6 51.9 37.9 22.8 52.2 38.2 24.3 52.3 36.5 --- > 32.4 48.4 35.6 31.8 48.9 39.2 36.7 49.3 38.9 37.5 > 48.0 39.2 36.8 46.1 41.1 23.0 46.6 40.3 23.1 45.3 > 40.9 22.7 49.3 39.6 29.2 48.6 40.2 29.0 50.0 40.2 > 29.5 51.6 36.4 35.2 52.3 36.4 35.9 51.1 37.2 35.2 > 47.6 39.0 23.5 47.4 38.1 23.3 48.1 38.8 24.4 52.3 > 37.6 23.6 51.9 37.9 22.8 52.2 38.3 24.2 52.3 36.5 5324c5324 < 54.7 34.6 32.2 53.3 35.2 32.0 53.3 35.8 21.8 53.6 --- > 54.7 34.6 32.2 53.3 35.2 32.0 53.3 35.8 21.8 53.7 5331c5331 < 42.2 34.1 46.0 42.1 34.7 46.2 42.4 33.3 48.4 49.5 --- > 42.2 34.0 46.1 42.1 34.7 46.2 42.4 33.3 48.4 49.5 5334,5339c5334,5339 < 47.8 27.3 44.7 48.7 28.3 53.2 39.8 38.3 52.4 40.3 < 38.1 53.0 38.9 37.9 52.3 47.1 22.1 52.2 47.6 21.2 < 53.2 46.8 22.0 53.7 39.5 34.8 52.7 39.6 34.8 54.0 < 40.3 35.1 49.3 44.5 24.4 48.9 43.7 24.3 49.9 44.7 < 23.7 48.8 40.5 21.5 48.1 40.7 20.8 48.4 39.8 22.1 < 52.3 39.3 18.2 51.4 39.0 18.4 52.4 39.4 17.2 45.3 --- > 47.8 27.3 44.7 48.6 28.3 53.2 39.8 38.3 52.4 40.3 > 38.3 53.0 38.9 38.0 52.3 47.1 22.1 52.2 47.6 21.3 > 53.2 46.7 22.0 53.7 39.5 34.8 52.7 39.6 34.8 54.0 > 40.3 35.2 49.3 44.5 24.4 48.9 43.7 24.3 49.9 44.7 > 23.7 48.8 40.5 21.5 48.1 40.7 20.9 48.4 39.8 22.1 > 52.3 39.3 18.2 51.4 39.1 18.4 52.3 39.4 17.2 45.3 5342,5344c5342,5344 < 55.7 34.0 24.9 57.0 34.6 24.4 53.7 40.9 40.7 53.5 < 41.8 40.5 53.2 40.4 40.0 52.4 35.6 18.5 52.7 36.3 < 19.2 52.9 34.8 18.8 44.6 44.8 29.6 44.3 44.5 28.8 --- > 55.7 34.0 24.8 57.0 34.6 24.5 53.7 40.8 40.7 53.5 > 41.8 40.5 53.1 40.4 40.1 52.4 35.6 18.5 52.6 36.3 > 19.2 52.8 34.8 18.8 44.6 44.8 29.6 44.3 44.5 28.8 5347c5347 < 28.9 48.8 48.4 31.8 49.1 49.2 32.1 49.1 47.8 32.5 --- > 28.9 48.8 48.4 31.8 49.0 49.3 32.1 49.1 47.8 32.5 5351,5354c5351,5354 < 54.4 34.3 21.7 55.5 33.7 22.6 49.5 37.2 38.7 50.3 < 36.7 39.0 48.8 36.6 38.6 29.2 -0.3 9.8 28.2 -0.4 < 9.9 29.5 -0.8 10.6 29.0 3.4 15.2 28.5 3.8 15.8 < 28.3 3.1 14.5 28.9 -0.2 13.8 29.3 -0.6 13.1 29.7 --- > 54.5 34.4 21.7 55.5 33.7 22.6 49.5 37.2 38.7 50.3 > 36.7 39.0 48.8 36.6 38.6 29.2 -0.3 9.8 28.2 -0.3 > 9.9 29.5 -0.7 10.6 29.0 3.4 15.2 28.5 3.8 15.8 > 28.4 3.1 14.5 28.9 -0.2 13.8 29.2 -0.6 13.0 29.7 5357c5357 < 30.7 1.4 15.1 30.0 2.1 15.1 30.7 1.2 16.0 30.4 --- > 30.7 1.4 15.1 30.0 2.0 15.1 30.7 1.1 16.0 30.4 5360,5361c5360,5361 < 43.7 7.4 22.0 44.0 7.8 23.4 37.2 9.6 15.3 38.2 < 9.7 15.0 37.3 9.7 16.2 45.3 11.5 8.5 45.1 11.7 --- > 43.7 7.4 22.0 44.1 7.8 23.4 37.2 9.6 15.3 38.2 > 9.7 15.0 37.3 9.7 16.2 45.3 11.5 8.6 45.1 11.7 5363,5367c5363,5367 < 40.0 9.3 8.2 39.7 9.9 21.2 39.5 10.8 20.8 39.8 < 10.0 22.1 41.4 7.0 19.3 41.6 8.0 19.5 42.2 6.6 < 19.7 41.6 6.4 14.4 41.0 6.3 13.6 41.2 5.8 15.1 < 45.9 8.3 18.9 46.8 8.5 19.0 45.5 9.2 18.7 39.1 < 5.7 15.5 38.5 5.1 15.8 39.1 6.4 16.2 36.4 5.2 --- > 40.0 9.2 8.2 39.7 9.9 21.2 39.4 10.8 20.9 39.8 > 10.0 22.1 41.4 7.0 19.3 41.5 8.0 19.5 42.2 6.6 > 19.8 41.6 6.4 14.4 41.0 6.3 13.6 41.2 5.8 15.1 > 45.9 8.3 18.9 46.8 8.5 19.1 45.4 9.2 18.8 39.1 > 5.7 15.5 38.5 5.0 15.8 39.1 6.4 16.2 36.4 5.2 5369c5369 < 42.2 16.5 11.1 41.2 15.4 11.7 40.6 5.9 25.3 40.7 --- > 42.2 16.4 11.1 41.3 15.5 11.7 40.6 5.9 25.3 40.7 5374,5375c5374,5375 < 18.1 35.7 2.5 15.9 35.0 2.6 15.3 36.2 3.3 15.8 < 48.5 9.1 19.0 49.3 8.8 18.5 48.9 9.0 19.9 37.4 --- > 18.1 35.7 2.5 15.9 35.0 2.5 15.2 36.2 3.3 15.8 > 48.5 9.1 19.0 49.3 8.8 18.4 48.9 9.0 19.9 37.4 5377,5386c5377,5386 < 19.7 42.6 10.0 20.3 41.1 9.5 20.3 34.2 2.5 18.3 < 34.3 3.4 18.5 34.6 2.4 17.4 43.2 11.1 10.3 43.4 < 11.9 10.8 43.9 11.1 9.6 36.3 7.1 11.1 36.8 7.9 < 11.3 37.0 6.5 11.0 39.2 12.2 12.3 39.2 13.1 12.0 < 40.1 12.2 12.7 38.1 4.2 21.6 38.4 3.3 21.6 37.2 < 4.2 21.8 44.7 12.1 23.7 44.1 11.6 23.2 45.5 12.2 < 23.2 39.7 13.6 17.7 39.9 12.8 17.2 38.9 14.0 17.4 < 46.8 12.1 22.2 46.9 12.2 21.3 47.6 11.7 22.5 43.0 < 10.6 22.2 43.4 9.8 22.2 42.2 10.5 22.7 33.8 6.0 < 11.7 34.6 6.4 11.5 34.1 5.1 11.9 43.3 8.8 11.5 --- > 19.7 42.6 10.0 20.3 41.2 9.5 20.3 34.2 2.5 18.3 > 34.3 3.4 18.5 34.5 2.5 17.4 43.2 11.1 10.3 43.5 > 11.8 10.9 43.9 11.1 9.6 36.3 7.1 11.1 36.8 7.9 > 11.3 37.0 6.5 10.9 39.2 12.2 12.3 39.1 13.1 11.9 > 40.1 12.2 12.7 38.1 4.2 21.6 38.3 3.3 21.7 37.2 > 4.2 21.8 44.7 12.1 23.7 44.1 11.6 23.1 45.5 12.3 > 23.2 39.7 13.6 17.7 39.8 12.8 17.2 38.9 14.0 17.4 > 46.8 12.1 22.2 46.8 12.2 21.3 47.6 11.7 22.5 43.0 > 10.6 22.2 43.4 9.8 22.2 42.2 10.5 22.8 33.8 6.0 > 11.7 34.6 6.5 11.5 34.1 5.1 11.9 43.3 8.8 11.5 5388,5391c5388,5391 < 4.9 16.8 48.3 4.2 17.1 47.5 16.0 6.4 46.7 15.5 < 6.6 47.5 16.2 5.5 48.9 9.4 10.7 49.1 8.6 11.2 < 48.7 10.0 11.4 48.5 11.2 12.9 49.0 11.7 12.4 48.7 < 11.4 13.8 34.2 3.3 12.4 34.0 2.5 11.9 33.8 3.1 --- > 4.9 16.8 48.3 4.1 17.1 47.5 16.0 6.4 46.7 15.5 > 6.5 47.5 16.2 5.5 48.9 9.4 10.7 49.1 8.6 11.2 > 48.7 10.1 11.4 48.5 11.2 12.9 49.0 11.8 12.4 48.7 > 11.4 13.8 34.2 3.3 12.4 34.0 2.5 11.9 33.9 3.0 5393,5396c5393,5396 < 50.9 8.5 18.0 51.5 9.1 18.4 51.5 7.7 17.7 39.9 < 9.3 14.6 40.8 9.4 14.5 39.6 8.6 13.9 45.2 10.9 < 18.2 45.2 11.7 18.8 44.3 10.8 17.9 36.7 2.9 11.4 < 35.9 3.1 12.0 36.3 2.4 10.7 52.6 10.1 19.4 52.8 --- > 50.9 8.5 18.0 51.5 9.1 18.5 51.5 7.7 17.7 39.9 > 9.3 14.6 40.8 9.4 14.4 39.6 8.7 13.9 45.2 10.9 > 18.2 45.2 11.7 18.8 44.3 10.9 17.9 36.7 2.9 11.4 > 35.9 3.1 12.0 36.3 2.4 10.7 52.6 10.1 19.4 52.7 5398c5398 < 23.6 49.5 8.5 24.6 44.2 6.6 20.2 44.7 5.8 20.0 --- > 23.6 49.5 8.6 24.6 44.2 6.6 20.2 44.7 5.8 20.0 5401c5401 < 7.6 43.8 11.1 14.8 43.4 11.2 15.7 43.5 10.3 14.6 --- > 7.6 43.8 11.1 14.8 43.4 11.3 15.7 43.4 10.3 14.5 5403c5403 < 11.0 22.6 49.5 10.2 22.2 49.6 11.7 22.0 38.1 17.9 --- > 11.0 22.6 49.6 10.2 22.3 49.6 11.7 22.0 38.1 17.9 5406c5406 < 6.4 13.1 31.6 7.3 13.7 43.2 14.4 17.2 43.1 15.2 --- > 6.5 13.0 31.6 7.2 13.7 43.2 14.4 17.2 43.0 15.2 5408c5408 < 43.9 13.8 12.3 44.4 13.3 19.2 45.1 14.0 19.3 43.9 --- > 43.8 13.8 12.4 44.4 13.3 19.2 45.1 14.0 19.3 43.8 5410,5413c5410,5413 < 19.3 45.3 14.7 13.1 45.6 13.9 13.5 46.0 15.3 12.9 < 45.7 13.8 9.7 45.8 13.0 9.3 45.0 13.7 10.4 34.9 < 10.0 18.5 35.8 9.6 18.3 35.1 10.8 19.0 39.6 14.9 < 12.3 38.9 15.4 11.8 39.5 15.1 13.2 31.8 3.4 17.4 --- > 19.3 45.3 14.7 13.1 45.6 13.9 13.5 46.0 15.3 13.0 > 45.7 13.8 9.7 45.9 13.0 9.3 45.0 13.7 10.4 34.9 > 10.0 18.5 35.8 9.7 18.3 35.1 10.8 19.0 39.6 14.9 > 12.3 38.9 15.3 11.8 39.4 15.1 13.2 31.8 3.4 17.4 5415,5420c5415,5420 < 16.4 19.9 44.2 16.9 18.7 48.4 10.1 25.1 48.6 10.5 < 24.3 48.2 10.8 25.7 33.3 0.9 11.3 33.1 0.0 11.4 < 32.4 1.4 11.3 46.9 14.4 16.3 46.7 13.7 15.7 47.3 < 15.1 15.8 47.8 11.3 17.6 46.9 11.2 17.4 48.1 10.4 < 17.8 46.2 12.5 14.3 45.4 12.0 14.5 46.7 11.9 13.8 < 49.4 12.1 15.4 50.2 12.2 15.9 48.8 11.8 16.1 50.3 --- > 16.4 19.9 44.2 16.9 18.8 48.4 10.1 25.1 48.6 10.5 > 24.3 48.3 10.8 25.7 33.3 0.9 11.3 33.1 0.0 11.4 > 32.5 1.4 11.4 46.9 14.4 16.3 46.7 13.7 15.7 47.3 > 15.1 15.8 47.8 11.3 17.6 46.9 11.2 17.4 48.2 10.4 > 17.7 46.2 12.5 14.3 45.4 12.0 14.5 46.7 11.9 13.9 > 49.4 12.1 15.4 50.2 12.3 15.9 48.8 11.7 16.1 50.3 5423,5433c5423,5433 < 35.1 3.2 22.5 34.7 4.3 21.5 42.3 12.9 20.8 42.4 < 12.2 21.4 43.1 13.1 20.4 43.5 16.7 13.8 42.9 16.1 < 14.3 44.1 16.2 13.4 36.8 12.0 13.6 37.5 11.9 13.0 < 36.7 11.2 14.0 40.4 11.8 15.8 39.9 11.1 15.6 40.8 < 12.0 15.0 33.1 11.7 14.2 32.5 10.9 14.3 33.5 11.7 < 15.1 51.8 11.8 23.8 50.9 11.5 23.6 51.9 11.7 24.7 < 40.8 10.8 9.1 41.1 11.6 8.6 41.5 10.6 9.6 52.4 < 9.8 22.1 52.3 10.5 22.7 52.3 9.0 22.6 38.2 5.2 < 11.3 37.6 4.5 11.5 38.8 4.8 10.7 45.1 12.9 6.1 < 44.2 12.8 5.8 45.2 13.8 6.4 44.4 6.9 25.0 45.1 < 7.3 25.4 44.7 6.0 24.9 33.1 2.9 14.9 32.4 2.3 --- > 35.1 3.2 22.5 34.7 4.3 21.5 42.2 12.9 20.8 42.4 > 12.3 21.4 43.1 13.1 20.4 43.5 16.7 13.8 42.9 16.1 > 14.3 44.2 16.2 13.4 36.8 12.0 13.6 37.4 11.9 12.9 > 36.7 11.2 14.0 40.4 11.8 15.8 39.8 11.1 15.6 40.9 > 12.0 15.0 33.1 11.7 14.2 32.6 10.9 14.2 33.5 11.7 > 15.1 51.8 11.9 23.8 50.9 11.5 23.6 51.9 11.7 24.7 > 40.8 10.8 9.1 41.1 11.5 8.6 41.5 10.6 9.6 52.4 > 9.8 22.1 52.3 10.5 22.7 52.2 9.0 22.6 38.2 5.2 > 11.3 37.5 4.5 11.5 38.8 4.8 10.7 45.1 12.9 6.1 > 44.2 12.7 5.9 45.1 13.8 6.4 44.4 6.9 25.0 45.1 > 7.3 25.5 44.7 6.0 24.9 33.1 2.9 14.9 32.4 2.3 5435,5438c5435,5438 < 37.5 6.1 18.7 33.3 6.5 16.2 32.9 6.3 15.4 34.1 < 7.1 16.0 41.5 4.8 27.6 40.9 4.2 27.7 41.3 5.2 < 26.7 35.5 7.6 14.9 35.1 7.9 14.1 36.2 8.2 15.1 < 37.5 9.0 18.1 38.4 8.9 18.0 37.5 9.1 19.1 37.6 --- > 37.5 6.1 18.6 33.3 6.5 16.2 32.9 6.3 15.4 34.1 > 7.1 16.0 41.5 4.9 27.6 40.9 4.1 27.7 41.3 5.2 > 26.7 35.5 7.6 14.9 35.1 8.0 14.1 36.2 8.2 15.1 > 37.5 9.0 18.1 38.5 8.9 18.0 37.5 9.1 19.1 37.6 5440,5442c5440,5442 < 15.0 36.6 13.6 14.5 36.4 15.1 14.5 39.2 15.7 14.9 < 39.0 16.6 15.3 38.4 15.2 15.0 33.0 0.9 22.2 33.0 < 0.2 22.7 33.6 1.5 22.7 46.4 8.5 26.1 47.3 8.8 --- > 15.0 36.5 13.6 14.5 36.4 15.1 14.5 39.2 15.7 14.9 > 39.0 16.6 15.3 38.4 15.2 15.1 33.0 0.9 22.2 33.0 > 0.2 22.7 33.5 1.6 22.7 46.4 8.5 26.1 47.3 8.8 5444c5444 < 40.2 15.3 18.3 41.8 15.0 14.9 40.9 15.2 15.1 41.8 --- > 40.2 15.3 18.4 41.8 15.0 14.9 40.9 15.1 15.2 41.8 5447,5448c5447,5448 < 53.7 20.6 22.3 54.6 20.7 22.3 53.5 19.8 22.9 48.3 < 24.1 16.6 49.1 23.6 16.5 48.5 24.9 17.1 50.6 23.5 --- > 53.7 20.6 22.3 54.6 20.7 22.3 53.5 19.9 22.9 48.3 > 24.1 16.6 49.1 23.7 16.5 48.5 24.9 17.1 50.6 23.5 5451,5459c5451,5459 < 20.4 16.7 51.9 19.9 18.1 53.2 20.8 11.2 52.8 20.5 < 12.0 53.1 20.1 10.6 49.1 21.0 14.4 48.2 21.0 14.8 < 49.5 21.9 14.7 46.9 21.2 16.0 47.3 21.5 16.8 46.4 < 22.0 15.7 52.3 29.1 11.6 52.8 29.9 11.8 51.7 29.0 < 12.3 53.4 18.5 24.0 52.5 18.4 24.2 53.8 18.4 24.9 < 51.7 21.4 24.3 52.4 21.1 23.8 50.9 21.2 23.8 54.2 < 17.8 20.0 55.1 18.0 20.1 53.9 17.3 20.7 53.2 23.1 < 12.7 53.7 23.8 12.3 53.4 22.3 12.1 50.4 22.5 16.4 < 51.2 22.6 15.8 50.5 21.7 16.9 52.9 18.5 9.8 52.3 --- > 20.3 16.7 51.9 19.9 18.1 53.2 20.8 11.2 52.8 20.5 > 12.0 53.0 20.1 10.6 49.1 21.0 14.4 48.2 21.0 14.8 > 49.4 21.9 14.6 46.9 21.2 16.0 47.3 21.5 16.8 46.4 > 22.0 15.7 52.3 29.1 11.6 52.8 29.9 11.9 51.7 29.0 > 12.3 53.4 18.5 24.0 52.5 18.3 24.1 53.8 18.4 24.9 > 51.7 21.4 24.3 52.4 21.1 23.8 50.9 21.1 23.8 54.2 > 17.8 20.0 55.1 18.0 20.0 54.0 17.3 20.7 53.2 23.1 > 12.7 53.8 23.8 12.3 53.4 22.3 12.1 50.4 22.5 16.4 > 51.2 22.6 15.8 50.6 21.7 16.8 52.9 18.5 9.8 52.3 5461,5464c5461,5464 < 24.2 50.7 17.2 23.6 46.4 18.6 15.7 45.8 18.7 15.0 < 46.5 19.4 16.1 49.6 18.9 11.8 48.7 19.1 12.2 49.6 < 19.2 10.9 53.2 25.1 20.1 53.7 24.6 20.6 52.3 25.0 < 20.4 45.7 17.8 18.1 45.5 18.6 18.5 45.8 17.9 17.2 --- > 24.1 50.7 17.2 23.6 46.4 18.6 15.7 45.7 18.6 15.1 > 46.4 19.4 16.2 49.6 18.9 11.8 48.7 19.2 12.1 49.6 > 19.2 10.9 53.2 25.1 20.1 53.7 24.5 20.6 52.3 25.0 > 20.4 45.7 17.8 18.1 45.5 18.6 18.5 45.8 18.0 17.2 5467,5468c5467,5468 < 10.2 47.6 24.2 10.6 47.6 22.8 10.3 49.2 26.6 13.3 < 49.7 27.4 13.2 49.9 25.9 13.6 52.7 14.5 24.2 52.9 --- > 10.2 47.6 24.2 10.7 47.5 22.7 10.4 49.2 26.6 13.3 > 49.7 27.4 13.2 49.9 26.0 13.6 52.7 14.5 24.2 52.9 5470,5475c5470,5475 < 20.5 47.6 19.1 21.2 49.3 26.6 17.5 50.1 26.5 17.0 < 48.6 26.9 17.0 54.2 23.4 22.1 53.9 22.5 21.9 53.7 < 23.7 22.8 45.4 22.0 11.7 46.0 22.7 11.4 45.9 21.2 < 11.7 52.0 12.3 16.4 52.6 11.6 16.2 52.3 12.6 17.2 < 49.6 14.1 13.5 49.9 13.5 12.8 49.4 13.5 14.2 46.9 < 19.6 11.9 46.5 19.4 11.1 46.3 19.5 12.6 51.8 19.6 --- > 20.4 47.7 19.1 21.2 49.3 26.6 17.5 50.1 26.5 17.0 > 48.6 26.8 16.9 54.2 23.4 22.1 54.0 22.5 21.9 53.7 > 23.7 22.9 45.4 22.0 11.7 46.1 22.6 11.5 45.9 21.2 > 11.8 52.0 12.3 16.4 52.6 11.6 16.2 52.2 12.7 17.2 > 49.6 14.1 13.5 49.9 13.5 12.8 49.3 13.5 14.2 46.9 > 19.6 11.9 46.5 19.5 11.1 46.3 19.6 12.6 51.8 19.6 5477,5480c5477,5480 < 50.7 17.6 11.8 51.8 16.6 12.2 53.6 27.3 15.1 54.1 < 27.4 14.2 54.0 26.6 15.5 49.9 15.7 17.5 50.7 15.6 < 16.9 49.2 16.0 16.9 51.2 24.5 13.5 52.0 24.2 13.2 < 50.5 24.0 13.0 48.9 19.0 9.2 48.0 18.8 9.1 49.5 --- > 50.8 17.6 11.8 51.8 16.5 12.2 53.6 27.3 15.1 54.1 > 27.4 14.3 54.0 26.5 15.5 49.9 15.7 17.5 50.7 15.6 > 17.0 49.2 16.1 16.9 51.2 24.5 13.5 52.0 24.2 13.2 > 50.5 24.0 13.0 48.9 19.0 9.2 48.0 18.8 9.0 49.5 5482c5482 < 13.1 48.8 16.6 19.9 49.2 16.4 19.0 47.9 16.3 19.7 --- > 13.1 48.8 16.6 19.9 49.2 16.4 19.0 47.9 16.4 19.7 5484,5493c5484,5493 < 28.7 10.7 57.0 29.2 10.7 55.5 29.5 10.5 49.7 21.0 < 19.9 49.4 20.2 20.3 50.6 20.7 19.6 52.5 19.9 19.9 < 53.2 19.2 19.7 52.8 20.3 20.7 50.5 16.6 22.0 50.0 < 15.8 22.5 50.1 16.6 21.1 50.4 32.8 15.7 50.1 33.4 < 16.4 49.5 32.6 15.3 43.5 21.5 13.6 44.3 21.6 13.2 < 43.0 22.3 13.4 46.5 15.2 18.7 46.6 15.1 17.8 46.1 < 16.1 18.7 53.8 29.7 19.2 54.5 30.2 19.5 53.9 29.5 < 18.3 54.4 27.5 12.4 53.6 27.9 12.3 55.0 28.0 11.9 < 52.4 16.9 13.9 52.0 16.4 14.7 53.2 16.4 13.7 49.7 < 26.7 20.2 50.5 27.2 20.2 49.6 26.7 19.2 45.7 25.7 --- > 28.7 10.7 57.0 29.2 10.7 55.5 29.4 10.6 49.7 21.0 > 19.9 49.4 20.2 20.3 50.6 20.7 19.5 52.5 19.9 19.9 > 53.2 19.2 19.7 52.8 20.3 20.7 50.5 16.6 22.0 50.1 > 15.8 22.5 50.1 16.5 21.1 50.4 32.8 15.7 50.1 33.4 > 16.4 49.5 32.6 15.2 43.5 21.5 13.6 44.3 21.6 13.2 > 43.0 22.4 13.3 46.5 15.2 18.7 46.7 15.1 17.8 46.1 > 16.1 18.8 53.8 29.7 19.2 54.5 30.2 19.4 53.9 29.5 > 18.3 54.4 27.5 12.4 53.6 27.9 12.3 55.0 28.1 11.9 > 52.4 16.9 13.9 52.0 16.5 14.7 53.2 16.4 13.7 49.7 > 26.7 20.2 50.6 27.2 20.2 49.6 26.6 19.2 45.7 25.7 5495,5496c5495,5496 < 49.6 29.4 13.1 50.5 29.4 14.3 41.7 18.6 17.8 42.6 < 18.3 18.2 41.2 17.8 17.9 55.7 31.7 20.1 55.5 32.3 --- > 49.6 29.4 13.1 50.4 29.4 14.3 41.7 18.6 17.8 42.6 > 18.3 18.2 41.2 17.8 18.0 55.7 31.7 20.1 55.5 32.3 5498c5498 < 47.7 12.4 18.9 48.6 15.0 23.1 48.9 14.7 23.9 48.0 --- > 47.6 12.4 18.9 48.6 15.0 23.1 49.0 14.7 23.9 48.1 5501,5503c5501,5503 < 49.8 13.4 21.2 49.4 14.0 21.9 49.0 13.3 20.6 47.5 < 15.7 10.2 47.0 14.9 10.1 47.7 15.8 11.1 51.0 14.6 < 9.8 50.5 15.0 9.2 51.4 15.3 10.4 51.4 14.5 19.5 --- > 49.8 13.4 21.2 49.4 14.1 21.8 49.0 13.3 20.6 47.5 > 15.7 10.2 47.0 14.9 10.1 47.7 15.9 11.1 51.0 14.6 > 9.8 50.5 15.0 9.2 51.4 15.3 10.3 51.4 14.6 19.5 5506,5508c5506,5508 < 16.2 49.7 19.5 15.0 52.1 15.2 16.1 52.0 14.2 16.2 < 52.7 15.4 16.8 53.6 15.6 18.3 54.1 16.4 18.5 52.9 < 15.5 19.0 45.2 20.4 18.6 44.8 20.9 17.9 46.1 20.7 --- > 16.2 49.8 19.5 15.0 52.1 15.2 16.1 51.9 14.3 16.2 > 52.6 15.5 16.8 53.6 15.6 18.3 54.1 16.4 18.5 52.9 > 15.6 19.0 45.2 20.3 18.6 44.8 20.9 17.9 46.1 20.7 5510c5510 < 52.4 27.8 20.4 52.7 26.9 20.5 53.0 28.3 19.9 55.9 --- > 52.4 27.8 20.4 52.6 26.9 20.5 53.1 28.2 19.9 55.9 5513c5513 < 51.2 25.4 15.1 52.0 26.6 15.5 45.0 26.1 14.8 44.1 --- > 51.2 25.4 15.1 52.1 26.6 15.5 45.0 26.1 14.8 44.1 5515,5521c5515,5521 < 25.8 52.4 15.7 25.6 51.3 25.6 10.1 51.8 26.1 9.5 < 52.0 25.2 10.7 53.3 16.5 22.2 52.3 16.4 22.1 53.4 < 17.2 22.8 48.9 21.8 9.8 49.0 20.9 9.4 49.5 22.3 < 9.2 49.4 16.4 8.3 48.9 16.2 7.5 48.7 16.2 9.0 < 55.5 26.5 9.4 56.3 26.1 9.1 55.8 27.2 9.9 44.9 < 19.0 13.5 44.4 18.1 13.6 44.2 19.6 13.5 47.5 21.8 < 18.6 47.7 22.7 18.8 48.2 21.4 19.0 52.1 17.9 28.4 --- > 25.8 52.4 15.7 25.6 51.3 25.6 10.1 51.9 26.1 9.5 > 52.0 25.1 10.7 53.3 16.5 22.2 52.4 16.3 22.1 53.3 > 17.2 22.8 48.9 21.8 9.8 49.0 20.9 9.4 49.6 22.3 > 9.2 49.4 16.4 8.3 48.9 16.1 7.5 48.7 16.2 8.9 > 55.5 26.5 9.4 56.3 26.0 9.1 55.8 27.2 9.9 44.9 > 19.0 13.4 44.5 18.1 13.6 44.2 19.6 13.5 47.5 21.8 > 18.6 47.7 22.7 18.9 48.2 21.3 18.9 52.1 17.9 28.4 5524,5532c5524,5532 < 27.3 51.7 20.6 25.9 45.8 23.7 15.7 45.5 24.6 15.4 < 46.7 23.8 16.0 48.0 24.5 19.8 48.7 25.1 19.7 48.3 < 23.9 20.5 49.1 22.8 21.7 49.7 23.5 21.8 49.4 22.1 < 21.1 48.6 29.5 16.4 48.1 28.8 16.1 48.3 30.4 16.1 < 51.2 30.3 15.7 51.0 31.2 15.7 50.5 29.9 16.3 44.3 < 16.6 21.5 44.9 16.1 21.9 44.1 17.4 22.0 51.6 31.2 < 19.3 52.3 30.5 19.4 50.9 30.7 18.9 53.8 29.6 16.5 < 52.9 29.9 16.2 53.8 28.7 16.1 49.3 14.1 25.6 50.0 < 13.5 25.6 48.6 13.6 26.0 53.7 35.1 15.2 54.4 34.7 --- > 27.3 51.7 20.6 25.9 45.8 23.7 15.7 45.6 24.6 15.5 > 46.7 23.7 16.0 48.0 24.5 19.8 48.7 25.1 19.6 48.3 > 23.9 20.5 49.1 22.8 21.7 49.7 23.5 21.7 49.4 22.2 > 21.1 48.6 29.5 16.4 48.1 28.9 16.1 48.3 30.4 16.1 > 51.2 30.3 15.7 51.0 31.2 15.7 50.6 29.9 16.4 44.3 > 16.6 21.5 44.9 16.1 22.0 44.1 17.3 22.1 51.6 31.2 > 19.3 52.3 30.5 19.4 50.9 30.8 18.8 53.8 29.6 16.5 > 52.9 29.9 16.2 53.9 28.7 16.1 49.3 14.1 25.6 50.0 > 13.5 25.6 48.6 13.5 26.0 53.7 35.1 15.2 54.4 34.7 5535,5538c5535,5538 < 33.9 17.5 5.4 19.9 40.4 4.6 19.3 40.3 5.4 20.1 < 41.4 -2.4 23.6 41.1 -2.6 24.4 41.4 -2.5 23.7 40.1 < 5.0 20.5 43.2 5.9 20.3 43.5 4.5 19.8 43.7 4.2 < 18.5 45.0 3.5 18.0 45.3 4.6 18.8 45.8 2.9 19.0 --- > 33.9 17.5 5.4 19.9 40.4 4.7 19.3 40.4 5.4 20.2 > 41.4 -2.4 23.6 41.1 -2.7 24.4 41.4 -2.5 23.6 40.1 > 5.0 20.5 43.2 5.9 20.4 43.5 4.5 19.8 43.7 4.2 > 18.5 45.0 3.5 18.0 45.4 4.6 18.8 45.8 2.9 19.0 5540,5541c5540,5541 < 5.6 34.7 42.0 5.1 36.1 42.1 0.7 35.1 43.8 -0.1 < 35.2 43.5 1.2 34.9 43.0 1.4 39.8 34.3 0.9 39.7 --- > 5.6 34.7 42.1 5.2 36.1 42.1 0.7 35.1 43.8 -0.1 > 35.2 43.5 1.2 35.0 43.0 1.4 39.8 34.3 0.9 39.7 5544,5545c5544,5545 < 39.5 34.5 9.5 33.7 40.9 10.2 33.0 40.9 8.8 33.3 < 41.4 6.5 27.4 45.6 5.8 28.0 45.6 6.2 26.7 46.2 --- > 39.5 34.5 9.5 33.7 40.9 10.2 33.0 40.8 8.8 33.3 > 41.4 6.5 27.4 45.6 5.8 28.0 45.5 6.2 26.7 46.2 5547,5551c5547,5551 < 31.3 41.8 5.9 31.1 41.4 6.5 31.5 42.7 8.5 29.4 < 42.8 7.9 30.1 42.4 7.9 28.8 43.2 5.7 34.6 35.0 < 6.5 34.2 34.6 5.4 35.3 34.3 0.3 33.0 45.5 0.6 < 33.8 45.0 1.1 32.8 46.0 4.9 37.8 41.3 4.6 38.1 < 40.4 4.6 38.4 41.9 8.8 39.4 38.6 7.9 39.6 38.5 --- > 31.3 41.8 5.9 31.0 41.4 6.5 31.5 42.7 8.5 29.4 > 42.8 7.9 30.1 42.4 7.9 28.9 43.3 5.7 34.6 35.0 > 6.4 34.1 34.6 5.5 35.3 34.3 0.3 33.0 45.5 0.6 > 33.8 45.0 1.1 32.7 46.0 4.9 37.8 41.3 4.5 38.1 > 40.5 4.6 38.4 41.9 8.8 39.4 38.6 7.9 39.6 38.5 5553,5554c5553,5554 < 30.7 47.9 6.4 36.2 45.8 6.4 36.5 44.9 5.9 35.4 < 45.8 2.6 28.9 43.5 1.7 29.2 43.8 2.5 28.8 42.5 --- > 30.7 47.8 6.4 36.2 45.8 6.4 36.5 44.9 5.9 35.4 > 45.8 2.6 28.9 43.5 1.7 29.2 43.8 2.5 28.7 42.5 5556,5563c5556,5563 < 35.6 39.5 14.7 35.0 39.5 15.6 35.8 40.5 3.9 24.5 < 45.3 3.2 25.0 45.8 4.1 25.0 44.5 3.4 33.9 32.6 < 3.8 34.7 33.0 3.5 33.3 33.3 3.9 26.5 43.2 3.8 < 26.1 42.4 3.2 27.1 43.3 8.5 37.0 34.8 8.1 36.8 < 34.0 9.2 36.4 35.0 3.7 32.7 35.2 3.3 33.1 35.9 < 4.4 33.4 35.0 2.4 39.5 36.9 2.0 40.1 37.5 1.9 < 39.5 36.1 7.3 36.7 40.7 6.6 37.2 41.0 8.1 37.3 < 40.9 6.4 34.3 40.1 6.6 35.3 40.2 7.0 34.0 39.5 --- > 35.6 39.5 14.7 35.1 39.5 15.6 35.8 40.5 3.9 24.5 > 45.3 3.2 25.0 45.7 4.1 25.0 44.5 3.4 33.9 32.6 > 3.8 34.7 33.0 3.5 33.3 33.3 3.9 26.5 43.2 3.9 > 26.2 42.3 3.2 27.1 43.3 8.5 37.0 34.8 8.2 36.8 > 34.0 9.1 36.4 35.1 3.7 32.8 35.1 3.2 33.0 36.0 > 4.5 33.3 35.1 2.4 39.4 36.9 2.0 40.0 37.5 1.9 > 39.5 36.0 7.3 36.7 40.7 6.6 37.2 41.0 8.1 37.3 > 40.9 6.4 34.3 40.1 6.6 35.3 40.1 7.0 34.0 39.5 5566,5567c5566,5567 < 37.3 3.5 35.0 37.4 3.0 33.8 38.2 6.3 40.1 38.4 < 5.4 39.7 38.5 6.1 41.0 38.6 4.6 30.8 40.2 4.1 --- > 37.3 3.5 35.0 37.4 2.9 33.8 38.2 6.3 40.1 38.4 > 5.4 39.7 38.6 6.1 41.1 38.6 4.6 30.8 40.2 4.2 5569,5570c5569,5570 < 38.5 6.7 42.8 39.6 7.0 23.6 41.3 7.2 22.9 40.7 < 7.0 24.4 40.8 0.1 39.4 32.0 -0.5 38.8 32.0 0.8 --- > 38.5 6.7 42.7 39.6 7.0 23.6 41.3 7.2 22.9 40.7 > 6.9 24.4 40.8 0.1 39.4 32.0 -0.5 38.8 32.0 0.8 5572,5574c5572,5574 < 46.0 9.2 36.9 37.5 8.7 37.0 36.7 9.2 37.8 37.8 < 9.3 38.5 41.2 9.5 39.0 42.0 10.2 38.3 40.9 9.5 < 39.5 43.9 9.8 40.4 44.0 10.3 39.0 44.1 1.9 28.4 --- > 46.0 9.2 36.9 37.5 8.6 37.0 36.7 9.2 37.8 37.9 > 9.3 38.5 41.2 9.5 39.0 42.0 10.2 38.3 40.8 9.5 > 39.5 43.9 9.8 40.4 43.9 10.3 39.0 44.1 1.9 28.4 5576,5578c5576,5578 < 3.7 36.1 43.5 2.2 36.4 44.0 1.0 44.6 35.0 1.7 < 44.5 35.7 0.9 45.6 34.9 3.9 42.0 42.9 3.9 41.0 < 43.2 3.4 42.4 43.6 3.9 36.8 30.6 4.3 36.5 29.7 --- > 3.7 36.1 43.5 2.2 36.4 44.0 1.1 44.6 35.0 1.7 > 44.5 35.7 0.8 45.6 35.0 3.9 42.0 42.9 3.9 41.0 > 43.2 3.4 42.5 43.6 3.9 36.8 30.6 4.3 36.5 29.7 5581,5582c5581,5582 < 40.0 11.3 35.2 42.4 11.6 35.9 41.8 10.6 34.8 41.8 < 4.2 38.4 38.7 3.4 38.6 38.3 4.4 37.5 38.2 8.7 --- > 40.0 11.3 35.2 42.4 11.6 35.9 41.8 10.5 34.8 41.8 > 4.2 38.4 38.6 3.3 38.6 38.3 4.3 37.5 38.3 8.7 5584,5592c5584,5592 < 35.7 6.7 39.7 36.6 6.1 39.2 35.3 6.5 27.5 42.9 < 5.7 27.2 42.7 6.6 27.3 43.9 5.0 34.1 44.9 4.9 < 34.4 44.0 5.4 33.3 44.9 3.4 45.5 39.0 3.4 45.0 < 39.8 4.2 46.1 39.1 3.3 44.4 36.6 4.1 44.0 36.7 < 3.1 44.8 37.4 2.8 45.9 42.6 3.2 45.2 42.1 3.3 < 46.7 42.5 6.7 41.9 42.8 5.7 41.8 42.8 6.9 41.0 < 43.2 4.2 44.0 41.0 4.0 43.3 41.7 4.7 43.5 40.4 < 8.1 43.0 40.9 9.0 42.6 41.0 7.6 42.5 41.6 2.7 < 30.2 35.7 2.8 31.1 35.5 1.7 30.1 35.7 0.4 30.6 --- > 35.7 6.9 39.7 36.6 6.1 39.2 35.4 6.5 27.5 42.9 > 5.7 27.2 42.6 6.5 27.3 43.9 5.0 34.1 44.9 4.9 > 34.4 44.0 5.3 33.2 44.9 3.4 45.5 39.0 3.4 45.0 > 39.7 4.1 46.1 39.1 3.3 44.4 36.6 4.1 44.0 36.8 > 3.0 44.9 37.3 2.8 45.9 42.6 3.2 45.2 42.2 3.4 > 46.7 42.5 6.7 41.9 42.9 5.7 41.8 42.7 7.0 41.0 > 43.1 4.2 44.0 41.0 4.0 43.3 41.7 4.7 43.5 40.4 > 8.1 43.0 40.9 9.0 42.6 40.9 7.6 42.5 41.6 2.7 > 30.2 35.7 2.7 31.1 35.6 1.7 30.0 35.7 0.4 30.6 5595c5595 < 25.0 40.4 3.1 24.1 41.3 11.8 36.5 38.1 12.0 35.8 --- > 25.0 40.4 3.1 24.1 41.3 11.8 36.5 38.2 12.0 35.8 5597,5599c5597,5599 < 6.6 41.4 35.1 9.4 40.4 35.0 9.0 40.9 34.3 8.7 < 39.9 35.4 9.2 38.1 48.4 9.2 38.0 49.4 9.2 37.2 < 48.1 7.0 32.8 50.3 7.6 32.9 49.6 7.4 32.3 50.9 --- > 6.6 41.5 35.2 9.4 40.4 35.0 8.9 40.9 34.3 8.7 > 39.9 35.5 9.2 38.1 48.4 9.2 38.0 49.4 9.2 37.2 > 48.1 7.0 32.8 50.3 7.6 32.9 49.6 7.4 32.2 50.9 5601c5601 < 37.3 40.8 12.6 37.7 41.0 11.8 37.2 39.8 8.8 35.7 --- > 37.3 40.8 12.6 37.7 41.1 11.8 37.3 39.8 8.8 35.7 5603,5606c5603,5606 < 3.4 27.1 46.5 2.3 26.8 47.5 4.4 22.7 41.6 4.5 < 21.9 42.1 5.2 23.2 41.8 6.7 32.1 44.5 7.6 32.5 < 44.2 6.9 31.7 45.3 4.1 28.5 45.8 3.8 28.7 44.8 < 3.7 29.3 46.2 4.0 41.2 33.8 4.8 41.4 34.1 3.5 --- > 3.4 27.1 46.6 2.3 26.7 47.5 4.4 22.7 41.6 4.5 > 21.9 42.1 5.1 23.3 41.8 6.7 32.1 44.5 7.5 32.5 > 44.3 6.9 31.7 45.4 4.1 28.5 45.8 3.8 28.7 44.8 > 3.6 29.2 46.2 4.0 41.2 33.8 4.8 41.4 34.1 3.5 5608c5608 < 31.9 9.8 34.7 44.7 9.4 33.8 44.6 10.1 34.9 43.8 --- > 31.9 9.8 34.7 44.7 9.4 33.8 44.7 10.1 34.9 43.8 5610,5614c5610,5614 < 31.9 43.9 9.1 31.1 43.6 10.2 31.8 44.4 7.1 26.3 < 40.5 6.9 26.8 41.4 7.3 27.0 39.9 15.5 35.9 42.3 < 16.2 35.7 42.9 14.8 35.3 42.6 13.6 34.4 43.7 12.8 < 34.6 43.1 13.3 34.8 44.5 2.8 25.2 38.3 3.4 25.8 < 38.6 3.2 24.3 38.4 5.8 26.9 36.8 6.0 27.8 36.7 --- > 31.9 43.9 9.1 31.1 43.6 10.2 31.8 44.5 7.1 26.3 > 40.5 6.8 26.8 41.3 7.2 27.1 39.9 15.5 35.9 42.3 > 16.2 35.7 42.9 14.8 35.3 42.6 13.6 34.4 43.7 12.9 > 34.6 43.0 13.3 34.8 44.5 2.8 25.2 38.3 3.4 25.8 > 38.5 3.2 24.3 38.4 5.8 26.9 36.8 6.0 27.8 36.7 5616c5616 < 26.7 39.6 4.6 29.9 37.6 3.9 30.0 37.0 5.4 29.6 --- > 26.8 39.6 4.6 29.9 37.6 3.9 29.9 37.0 5.3 29.5 5618c5618 < 10.8 31.3 40.9 11.5 31.3 40.3 11.0 30.6 41.5 4.5 --- > 10.8 31.3 40.9 11.5 31.3 40.3 11.0 30.5 41.5 4.5 5620,5621c5620,5621 < 36.8 4.4 37.0 36.1 5.1 35.7 36.4 9.1 31.8 37.3 < 9.0 31.4 38.1 9.0 32.8 37.5 13.7 33.8 38.9 13.5 --- > 36.8 4.3 36.9 36.1 5.1 35.7 36.4 9.1 31.8 37.3 > 9.1 31.4 38.1 9.1 32.8 37.5 13.7 33.8 38.9 13.5 5626c5626 < 42.1 12.9 49.8 41.9 12.2 50.0 41.3 13.2 48.9 41.5 --- > 42.0 12.9 49.8 41.9 12.2 50.1 41.3 13.2 48.9 41.5 5628,5635c5628,5635 < 48.6 39.2 16.3 47.8 39.3 16.5 49.2 39.6 20.6 49.1 < 41.3 20.8 48.2 41.3 19.7 49.1 41.7 11.8 51.0 37.7 < 11.4 50.6 38.4 12.7 50.7 37.7 17.2 42.5 45.9 16.5 < 43.0 45.7 17.0 41.8 46.5 12.0 46.3 34.1 11.6 47.2 < 34.0 12.3 46.1 33.2 18.2 48.7 42.5 17.4 48.8 42.0 < 17.9 48.5 43.4 11.2 48.9 33.9 10.7 49.1 34.7 10.8 < 49.5 33.3 19.3 45.3 44.5 18.5 45.0 44.2 19.2 45.5 < 45.4 17.2 49.5 34.5 18.2 49.4 34.4 16.9 49.6 33.6 --- > 48.6 39.2 16.3 47.7 39.3 16.5 49.2 39.6 20.6 49.1 > 41.3 20.8 48.2 41.2 19.7 49.1 41.7 11.8 51.0 37.7 > 11.4 50.6 38.4 12.7 50.7 37.7 17.2 42.5 45.9 16.4 > 43.0 45.7 16.9 41.8 46.5 12.0 46.3 34.1 11.6 47.2 > 34.0 12.3 46.1 33.2 18.2 48.7 42.5 17.4 48.7 42.0 > 17.9 48.5 43.4 11.2 48.9 33.9 10.7 49.0 34.7 10.7 > 49.5 33.3 19.3 45.4 44.5 18.5 45.0 44.2 19.2 45.4 > 45.4 17.2 49.5 34.5 18.2 49.4 34.4 16.9 49.5 33.6 5638,5639c5638,5639 < 45.0 17.4 52.4 44.0 16.9 51.3 45.1 14.0 44.5 43.0 < 13.3 45.1 43.2 14.2 44.6 42.1 9.9 49.9 36.1 10.5 --- > 45.0 17.4 52.4 44.0 17.0 51.3 45.1 14.0 44.5 43.0 > 13.4 45.1 43.2 14.1 44.5 42.1 9.9 49.9 36.1 10.5 5641,5645c5641,5645 < 39.5 4.7 50.9 40.6 6.8 49.2 39.2 5.9 49.5 39.4 < 7.4 49.9 39.5 27.1 50.4 39.8 26.4 49.8 39.5 26.9 < 50.8 40.6 14.3 40.3 45.4 13.7 40.9 45.9 14.4 40.7 < 44.6 13.7 48.5 33.1 12.8 48.7 33.5 14.3 48.5 33.8 < 12.4 45.3 38.5 11.6 44.9 38.2 12.8 45.6 37.8 14.4 --- > 39.5 4.6 50.8 40.6 6.8 49.2 39.2 5.9 49.4 39.5 > 7.4 49.9 39.5 27.1 50.4 39.8 26.4 49.8 39.5 26.8 > 50.8 40.6 14.3 40.3 45.4 13.8 40.9 45.9 14.4 40.7 > 44.6 13.7 48.5 33.1 12.9 48.6 33.6 14.4 48.6 33.7 > 12.4 45.3 38.5 11.6 44.9 38.2 12.8 45.7 37.8 14.4 5647,5651c5647,5651 < 41.9 11.4 41.9 41.6 10.6 42.4 42.8 20.0 52.8 35.6 < 19.3 52.3 35.1 20.7 52.1 35.6 14.8 48.3 35.4 14.5 < 48.9 36.1 15.6 48.7 35.2 17.7 52.5 42.2 17.6 53.3 < 41.9 18.7 52.4 42.3 7.9 45.1 39.4 8.7 45.1 38.9 < 7.9 44.4 40.0 17.3 50.6 40.2 17.5 51.3 40.9 18.1 --- > 41.9 11.4 41.9 41.6 10.6 42.4 42.8 20.0 52.8 35.5 > 19.3 52.3 35.2 20.7 52.1 35.7 14.8 48.3 35.4 14.5 > 48.9 36.1 15.6 48.7 35.1 17.7 52.5 42.2 17.6 53.3 > 41.8 18.7 52.3 42.3 7.9 45.1 39.4 8.7 45.1 38.9 > 8.0 44.4 40.0 17.3 50.6 40.2 17.5 51.3 40.9 18.1 5653c5653 < 32.9 10.0 41.5 37.3 10.0 41.3 36.4 9.5 40.9 37.8 --- > 32.9 10.0 41.5 37.3 10.1 41.3 36.4 9.4 40.9 37.8 5655,5656c5655,5656 < 50.0 37.5 14.9 50.4 36.9 14.9 49.5 38.1 16.8 46.0 < 39.3 16.2 45.6 39.9 16.6 45.6 38.4 16.4 39.3 40.3 --- > 50.0 37.5 14.8 50.3 36.8 14.9 49.5 38.0 16.8 46.0 > 39.3 16.2 45.6 39.9 16.6 45.7 38.4 16.4 39.3 40.3 5658c5658 < 48.9 39.8 10.2 50.3 40.1 8.9 48.0 37.7 8.2 48.4 --- > 48.9 39.8 10.2 50.3 40.1 8.9 48.0 37.8 8.2 48.5 5660,5661c5660,5661 < 15.0 49.1 46.2 20.5 52.9 38.3 20.1 53.0 37.4 20.2 < 53.6 38.8 8.1 45.2 43.3 8.6 45.4 42.5 7.3 44.8 --- > 15.0 49.0 46.2 20.5 52.9 38.2 20.0 53.0 37.5 20.2 > 53.6 38.8 8.1 45.2 43.3 8.6 45.5 42.5 7.3 44.8 5663c5663 < 5.8 46.6 38.7 6.1 47.5 38.9 6.5 46.0 39.0 21.4 --- > 5.8 46.6 38.7 6.1 47.5 38.9 6.4 46.0 39.0 21.4 5665,5666c5665,5666 < 48.0 13.1 45.1 47.6 12.8 44.4 48.9 12.6 51.0 44.2 < 13.5 51.2 44.3 12.5 50.7 43.3 8.6 45.6 31.2 7.7 --- > 48.0 13.1 45.0 47.5 12.8 44.4 48.9 12.6 51.0 44.2 > 13.5 51.2 44.2 12.4 50.7 43.3 8.6 45.6 31.2 7.7 5668,5675c5668,5675 < 40.1 13.7 44.8 39.8 23.2 49.7 41.5 23.1 50.7 41.4 < 22.4 49.3 41.2 10.5 47.1 39.6 10.4 46.7 40.5 11.2 < 46.5 39.2 19.8 50.3 39.0 20.1 51.2 38.9 20.2 49.9 < 39.7 17.2 42.2 43.2 16.3 42.0 43.1 17.3 42.1 44.1 < 15.9 49.9 44.9 15.7 49.8 44.0 16.6 49.3 45.1 3.8 < 48.4 42.0 4.0 48.8 41.1 4.3 48.9 42.6 9.7 45.3 < 47.7 10.6 44.8 47.6 9.9 46.0 48.2 4.7 46.9 36.1 < 4.1 46.1 36.1 5.0 46.9 37.0 8.0 45.6 36.3 8.1 --- > 40.1 13.7 44.8 39.8 23.2 49.7 41.5 23.1 50.7 41.3 > 22.5 49.3 41.1 10.5 47.1 39.7 10.4 46.7 40.5 11.1 > 46.5 39.2 19.7 50.3 39.0 20.1 51.2 38.9 20.2 49.9 > 39.7 17.2 42.2 43.2 16.3 42.0 43.0 17.3 42.1 44.1 > 15.9 49.9 44.9 15.7 49.8 44.0 16.5 49.3 45.1 3.8 > 48.4 42.0 4.0 48.8 41.1 4.3 48.8 42.6 9.7 45.3 > 47.7 10.6 44.8 47.5 10.0 46.0 48.2 4.7 46.9 36.1 > 4.1 46.1 36.1 5.0 46.9 37.1 8.0 45.6 36.3 8.1 5677c5677 < 46.0 9.3 44.8 44.5 10.6 42.0 44.6 11.4 42.1 45.0 --- > 46.0 9.4 44.9 44.5 10.6 42.0 44.6 11.4 42.1 45.0 5679c5679 < 45.0 34.2 13.6 46.0 36.2 14.0 46.9 36.3 13.1 46.0 --- > 45.0 34.2 13.6 46.0 36.2 14.0 46.9 36.3 13.0 46.1 5681,5682c5681,5682 < 10.3 45.2 41.7 10.5 44.3 41.4 10.9 45.4 42.4 11.9 < 45.9 43.8 11.9 46.7 44.2 11.2 45.4 44.3 10.0 44.3 --- > 10.3 45.2 41.7 10.6 44.3 41.4 10.9 45.4 42.4 11.9 > 45.9 43.8 11.8 46.7 44.1 11.2 45.4 44.3 10.0 44.3 5684,5687c5684,5687 < 12.8 40.8 40.4 13.1 39.8 41.6 23.3 52.6 38.6 23.4 < 52.0 37.9 22.3 52.8 38.5 20.8 53.9 46.9 21.7 53.7 < 47.3 20.3 53.0 46.8 17.8 48.0 49.9 18.6 48.2 49.3 < 18.3 47.5 50.6 22.9 52.4 41.2 23.7 52.8 41.6 23.0 --- > 12.8 40.8 40.5 13.1 39.8 41.5 23.3 52.6 38.6 23.4 > 52.0 37.8 22.3 52.8 38.5 20.8 53.9 46.9 21.6 53.6 > 47.3 20.3 53.0 46.8 17.8 48.0 49.9 18.6 48.1 49.2 > 18.2 47.4 50.5 22.9 52.4 41.2 23.7 52.9 41.5 22.9 5689,5698c5689,5698 < 46.4 12.8 42.4 46.3 13.6 42.8 46.1 12.4 43.1 46.9 < 5.7 47.0 33.7 5.1 46.5 33.4 5.5 47.1 34.7 14.2 < 38.2 41.4 14.5 37.4 41.7 15.0 38.7 41.1 18.1 48.4 < 45.2 19.1 48.5 44.9 18.1 47.7 45.9 14.9 44.0 45.6 < 14.6 44.3 44.8 14.9 44.8 46.2 20.9 50.7 44.3 20.6 < 49.8 44.1 20.8 51.1 43.5 13.2 47.9 30.5 13.4 47.8 < 31.4 12.2 47.9 30.5 20.6 47.9 44.5 20.3 47.3 43.9 < 21.4 47.6 44.9 18.0 41.4 40.7 17.9 41.7 41.6 18.7 < 42.0 40.3 26.5 51.1 42.3 27.4 51.0 42.7 25.9 50.6 < 42.8 25.0 49.3 43.4 24.5 49.2 42.6 24.6 49.9 43.9 --- > 46.4 12.8 42.4 46.3 13.6 42.8 46.1 12.3 43.1 46.8 > 5.8 47.0 33.7 5.0 46.5 33.4 5.6 47.2 34.6 14.2 > 38.2 41.4 14.5 37.4 41.7 15.0 38.7 41.2 18.1 48.4 > 45.2 19.1 48.5 44.9 18.1 47.8 45.9 14.9 44.0 45.6 > 14.6 44.3 44.8 15.0 44.8 46.2 21.0 50.7 44.3 20.6 > 49.8 44.2 20.9 51.1 43.4 13.2 47.9 30.5 13.4 47.8 > 31.4 12.2 47.9 30.5 20.6 47.9 44.5 20.3 47.3 43.8 > 21.4 47.5 44.8 18.0 41.4 40.7 17.9 41.7 41.6 18.7 > 42.0 40.3 26.5 51.1 42.3 27.4 51.0 42.6 25.9 50.6 > 42.8 25.0 49.3 43.4 24.5 49.2 42.6 24.6 50.0 43.9 5701,5703c5701,5703 < 38.9 14.5 40.9 39.2 13.9 39.6 38.6 9.7 43.1 30.7 < 10.6 43.4 30.6 9.7 42.3 30.1 16.9 42.5 37.3 16.5 < 43.4 37.1 16.5 42.0 36.6 15.6 42.3 39.7 15.9 42.2 --- > 38.9 14.5 40.8 39.2 13.9 39.6 38.5 9.7 43.1 30.7 > 10.6 43.4 30.6 9.7 42.3 30.1 16.9 42.5 37.3 16.4 > 43.4 37.1 16.5 41.9 36.7 15.6 42.3 39.7 15.9 42.2 5705,5710c5705,5710 < 16.6 45.3 36.2 19.6 46.3 39.1 20.0 46.1 40.0 18.6 < 46.2 39.3 21.2 46.4 41.4 22.1 46.3 41.0 21.2 45.9 < 42.2 16.2 51.4 36.1 16.2 52.2 35.6 16.7 50.8 35.6 < 20.4 48.1 37.4 20.1 47.5 38.0 20.2 48.9 37.8 24.9 < 49.1 39.4 24.2 49.1 40.1 24.3 49.0 38.6 16.7 53.3 < 34.3 17.4 52.8 33.8 16.2 53.7 33.7 8.7 42.4 33.2 --- > 16.6 45.4 36.2 19.6 46.3 39.1 19.9 46.1 40.0 18.6 > 46.2 39.3 21.2 46.4 41.4 22.1 46.3 41.1 21.2 45.9 > 42.2 16.2 51.4 36.2 16.2 52.2 35.6 16.7 50.7 35.7 > 20.4 48.1 37.4 20.1 47.4 38.0 20.2 48.9 37.8 24.9 > 49.1 39.4 24.2 49.1 40.2 24.3 48.9 38.7 16.8 53.3 > 34.3 17.4 52.8 33.8 16.2 53.8 33.7 8.7 42.4 33.2 5712,5727c5712,5727 < 37.7 38.1 14.5 37.0 38.5 24.1 54.5 44.7 24.3 55.4 < 44.5 24.3 54.0 43.9 26.7 54.5 40.4 27.1 53.9 39.8 < 27.4 55.1 40.6 25.2 53.4 42.4 25.8 52.6 42.3 25.7 < 54.1 41.9 28.9 55.6 41.4 29.4 55.4 42.2 28.7 56.6 < 41.5 24.9 55.0 38.4 24.3 54.2 38.3 25.3 54.9 39.2 < 3.8 12.1 29.4 4.0 11.5 28.8 4.1 13.0 29.1 1.6 < 12.3 31.1 0.9 12.0 30.6 2.4 12.0 30.6 2.6 14.7 < 35.0 2.6 14.9 34.1 2.1 13.9 35.1 2.1 17.6 22.0 < 1.4 17.9 21.6 2.8 18.3 22.0 4.3 10.3 27.4 4.4 < 9.4 27.2 5.2 10.7 27.3 4.2 15.5 21.9 3.7 15.3 < 22.7 3.7 16.1 21.4 10.0 10.8 28.4 10.6 10.0 28.4 < 9.5 10.7 29.2 3.7 16.4 30.3 3.8 17.3 30.6 3.3 < 15.9 31.0 7.3 8.3 27.9 6.4 8.1 27.6 7.3 9.3 < 27.8 8.1 7.5 30.3 7.8 7.6 29.4 7.2 7.5 30.8 < 6.8 12.1 23.1 7.6 11.6 22.8 6.7 12.7 22.4 5.2 < 15.7 35.2 5.5 15.2 34.5 4.3 15.4 35.4 0.9 10.6 --- > 37.7 38.0 14.5 37.0 38.4 24.2 54.5 44.7 24.2 55.4 > 44.5 24.2 54.0 43.9 26.7 54.5 40.4 27.1 53.9 39.8 > 27.3 55.1 40.6 25.2 53.4 42.4 25.8 52.6 42.3 25.7 > 54.1 41.9 28.9 55.6 41.4 29.3 55.4 42.2 28.6 56.5 > 41.5 24.9 55.0 38.4 24.3 54.2 38.3 25.2 55.0 39.3 > 3.8 12.1 29.4 4.1 11.5 28.8 4.1 13.0 29.1 1.6 > 12.3 31.1 0.9 12.0 30.5 2.4 12.1 30.5 2.6 14.7 > 35.0 2.6 14.9 34.1 2.2 13.9 35.2 2.1 17.6 22.0 > 1.4 18.0 21.6 2.8 18.2 22.0 4.3 10.3 27.4 4.4 > 9.4 27.3 5.2 10.7 27.3 4.2 15.5 21.9 3.7 15.3 > 22.7 3.7 16.2 21.4 10.0 10.8 28.4 10.6 10.0 28.3 > 9.5 10.6 29.2 3.7 16.4 30.3 3.8 17.3 30.6 3.3 > 15.9 31.0 7.3 8.3 27.9 6.4 8.1 27.7 7.3 9.3 > 27.8 8.1 7.5 30.3 7.8 7.6 29.4 7.3 7.4 30.8 > 6.9 12.1 23.1 7.6 11.6 22.8 6.6 12.7 22.3 5.2 > 15.7 35.2 5.4 15.1 34.5 4.3 15.4 35.5 0.9 10.6 5730c5730 < 16.6 25.8 8.8 16.2 26.8 4.7 8.4 34.0 4.1 9.2 --- > 16.6 25.8 8.8 16.2 26.8 4.7 8.4 33.9 4.1 9.1 5732,5746c5732,5746 < 6.0 13.6 32.7 3.3 7.7 30.4 2.6 7.2 30.7 2.8 < 8.4 29.9 7.4 16.4 31.7 8.3 16.3 31.6 7.3 17.0 < 32.4 15.4 13.0 26.7 14.9 12.3 26.3 15.3 13.0 27.6 < 2.4 20.9 37.9 1.5 21.1 37.7 2.8 20.7 37.0 3.1 < 20.5 35.3 2.6 21.1 34.8 3.7 20.1 34.7 3.6 10.1 < 20.7 2.7 10.3 21.1 4.2 10.0 21.4 9.0 14.5 22.4 < 8.2 14.3 21.9 9.6 13.8 22.1 4.7 10.2 23.1 4.0 < 10.7 23.5 5.4 10.9 23.0 2.4 15.8 24.1 1.5 15.4 < 24.0 2.4 16.4 23.4 7.2 13.6 27.7 6.4 13.8 28.1 < 7.9 14.0 28.2 6.9 10.8 27.3 7.0 11.7 27.6 7.7 < 10.8 26.7 3.0 22.1 20.4 2.6 22.1 21.2 2.9 23.0 < 20.1 1.9 9.6 29.0 1.2 10.3 29.1 2.4 9.9 28.3 < 3.6 11.7 25.1 4.4 12.2 25.0 3.7 11.4 26.1 6.1 < 17.2 25.2 5.5 16.8 25.8 6.3 18.1 25.6 4.9 7.8 < 26.6 4.6 6.9 26.9 5.1 7.7 25.7 6.0 19.7 26.2 --- > 6.0 13.6 32.7 3.3 7.7 30.4 2.6 7.2 30.8 2.9 > 8.5 29.9 7.4 16.4 31.7 8.3 16.3 31.6 7.3 17.0 > 32.4 15.4 13.0 26.7 14.9 12.3 26.4 15.3 13.0 27.6 > 2.4 20.9 37.9 1.5 21.1 37.6 2.9 20.7 37.0 3.1 > 20.5 35.3 2.5 21.1 34.9 3.7 20.1 34.7 3.6 10.1 > 20.7 2.8 10.3 21.1 4.2 10.0 21.4 9.0 14.5 22.4 > 8.2 14.3 21.9 9.5 13.8 22.2 4.7 10.2 23.1 3.9 > 10.7 23.5 5.3 10.9 23.0 2.4 15.8 24.1 1.5 15.4 > 24.0 2.5 16.4 23.4 7.2 13.6 27.7 6.4 13.8 28.1 > 7.9 14.0 28.2 6.9 10.8 27.2 7.0 11.7 27.6 7.7 > 10.7 26.7 3.0 22.1 20.4 2.6 22.1 21.2 2.9 23.0 > 20.1 1.8 9.6 29.0 1.1 10.3 29.1 2.4 9.9 28.3 > 3.7 11.7 25.1 4.5 12.1 25.0 3.7 11.5 26.1 6.1 > 17.2 25.1 5.6 16.7 25.7 6.3 18.1 25.6 4.9 7.8 > 26.6 4.6 6.9 26.9 5.1 7.6 25.7 6.0 19.7 26.2 5748,5750c5748,5750 < 19.7 20.1 0.1 19.6 21.6 3.9 11.0 34.1 4.5 11.1 < 34.8 4.2 11.6 33.4 9.6 14.1 25.0 9.3 14.3 24.1 < 9.3 14.8 25.5 9.1 15.5 28.4 9.3 15.8 29.3 9.9 --- > 19.7 20.1 0.1 19.6 21.6 3.9 11.0 34.1 4.5 11.0 > 34.9 4.2 11.6 33.5 9.6 14.0 25.0 9.3 14.3 24.1 > 9.3 14.7 25.6 9.1 15.5 28.4 9.3 15.8 29.3 9.9 5755,5763c5755,5763 < 22.2 0.5 21.6 22.8 -0.7 22.3 22.3 3.2 17.7 27.8 < 3.5 17.1 28.5 3.5 17.2 27.0 6.2 12.9 18.7 5.9 < 12.1 18.5 5.7 13.5 18.2 8.1 19.3 36.3 7.5 18.8 < 35.6 8.7 19.8 35.7 7.1 17.5 34.4 6.3 16.9 34.5 < 7.8 17.0 34.7 11.2 12.9 29.7 11.4 13.5 29.0 10.9 < 12.1 29.1 1.7 22.7 34.3 2.4 22.8 33.7 1.7 23.5 < 34.8 4.0 15.6 26.1 3.5 15.6 25.3 4.7 15.0 25.9 < 9.1 11.4 25.8 9.2 12.3 25.4 9.6 11.5 26.7 6.4 < 17.2 22.6 6.6 17.3 23.5 5.4 16.9 22.6 4.9 12.5 --- > 22.2 0.4 21.6 22.8 -0.7 22.2 22.3 3.2 17.7 27.8 > 3.5 17.1 28.5 3.5 17.2 27.0 6.2 12.9 18.7 6.0 > 12.1 18.4 5.6 13.5 18.2 8.1 19.3 36.3 7.6 18.7 > 35.7 8.7 19.8 35.7 7.1 17.5 34.4 6.3 17.0 34.6 > 7.8 17.0 34.8 11.2 12.9 29.7 11.4 13.5 29.0 11.0 > 12.1 29.2 1.7 22.7 34.3 2.4 22.9 33.7 1.6 23.5 > 34.9 4.0 15.6 26.1 3.5 15.6 25.3 4.8 15.0 25.9 > 9.2 11.4 25.9 9.2 12.3 25.6 9.5 11.4 26.8 6.3 > 17.2 22.6 6.6 17.3 23.5 5.4 17.0 22.6 4.9 12.5 5765c5765 < 3.2 21.4 26.3 3.9 22.6 25.8 2.2 21.7 23.2 2.4 --- > 3.2 21.4 26.3 3.9 22.6 25.7 2.2 21.7 23.2 2.3 5767,5768c5767,5768 < 38.3 2.0 12.7 38.9 6.1 18.6 38.1 6.8 19.0 37.5 < 6.1 19.1 38.9 4.3 21.6 30.1 4.0 21.2 29.2 5.0 --- > 38.3 2.0 12.7 38.9 6.1 18.6 38.1 6.8 18.9 37.5 > 6.1 19.2 38.9 4.3 21.6 30.1 4.0 21.2 29.2 5.0 5772c5772 < 21.2 24.0 6.5 20.8 23.3 6.5 22.1 24.1 12.2 14.2 --- > 21.2 24.0 6.6 20.8 23.3 6.5 22.1 24.1 12.2 14.2 5774,5775c5774,5775 < 7.2 20.0 21.5 6.4 18.9 22.1 9.0 17.0 22.6 8.2 < 17.3 22.3 9.0 16.1 22.6 0.1 22.0 36.7 -0.7 22.2 --- > 7.3 20.0 21.5 6.4 18.9 22.1 9.0 17.0 22.6 8.2 > 17.3 22.3 8.9 16.1 22.7 0.1 22.0 36.7 -0.6 22.2 5777,5779c5777,5779 < 9.8 18.6 38.8 9.0 15.8 35.2 9.1 15.5 36.1 8.9 < 15.0 34.7 6.0 11.2 36.1 6.9 11.1 35.9 6.0 11.7 < 36.9 11.3 17.2 35.9 11.1 17.7 36.7 10.5 16.8 35.7 --- > 9.8 18.6 38.8 9.1 15.8 35.2 9.0 15.5 36.1 8.8 > 15.1 34.7 6.0 11.2 36.1 6.9 11.1 35.9 6.0 11.7 > 36.9 11.3 17.2 35.9 11.2 17.7 36.7 10.5 16.8 35.7 5782,5785c5782,5785 < 31.5 7.7 10.4 31.5 6.4 9.7 31.6 5.7 8.1 31.5 < 4.9 8.0 31.1 5.5 8.1 32.5 3.6 19.7 21.8 4.6 < 19.7 21.8 3.4 20.4 21.1 7.7 19.3 18.4 7.2 18.6 < 18.9 8.3 19.6 19.1 9.8 12.4 31.9 9.4 11.5 31.8 --- > 31.5 7.7 10.4 31.5 6.4 9.7 31.5 5.7 8.1 31.6 > 4.9 8.0 31.1 5.4 8.1 32.5 3.6 19.7 21.8 4.6 > 19.7 21.7 3.4 20.3 21.1 7.7 19.3 18.4 7.2 18.6 > 18.9 8.4 19.5 19.0 9.8 12.4 31.9 9.5 11.5 31.8 5787c5787 < 11.2 15.9 9.4 9.8 31.0 8.9 9.0 30.9 10.3 9.5 --- > 11.2 15.9 9.4 9.8 31.0 9.0 8.9 30.9 10.3 9.5 5790,5798c5790,5798 < 15.4 37.6 1.6 15.9 38.3 1.6 15.6 36.8 5.3 7.8 < 23.9 5.1 8.7 23.7 6.1 7.6 23.4 9.4 7.5 26.5 < 10.1 7.8 27.1 8.6 7.6 26.9 11.3 8.3 28.2 12.1 < 8.2 27.8 11.4 7.9 29.1 4.9 18.1 17.5 5.2 17.7 < 18.3 4.7 19.0 17.7 5.7 13.5 25.3 6.3 13.3 26.1 < 6.2 13.1 24.6 10.0 9.3 24.4 9.8 8.5 24.9 9.6 < 10.0 24.8 14.8 10.7 25.6 13.9 10.5 25.3 15.3 10.7 < 24.9 6.4 17.1 19.6 7.0 16.4 19.2 6.4 17.0 20.5 < 6.4 14.0 21.2 6.4 13.7 20.3 5.6 14.4 21.3 3.1 --- > 15.4 37.6 1.5 15.9 38.3 1.7 15.7 36.9 5.3 7.8 > 23.9 5.1 8.7 23.8 6.1 7.6 23.4 9.4 7.5 26.5 > 10.1 7.8 27.1 8.6 7.6 26.9 11.3 8.3 28.2 12.2 > 8.2 27.8 11.4 8.0 29.1 4.9 18.1 17.5 5.3 17.7 > 18.3 4.8 19.0 17.7 5.7 13.5 25.3 6.2 13.3 26.1 > 6.2 13.2 24.6 10.0 9.3 24.4 9.8 8.5 24.9 9.5 > 10.0 24.8 14.8 10.7 25.6 13.9 10.5 25.3 15.3 10.6 > 24.9 6.4 17.1 19.6 7.0 16.4 19.2 6.5 17.0 20.5 > 6.4 14.0 21.2 6.4 13.7 20.3 5.6 14.3 21.3 3.1 5802,5806c5802,5806 < 29.7 25.4 8.0 28.7 26.5 12.6 29.7 36.3 13.3 29.5 < 35.8 12.8 29.3 37.2 5.7 31.2 29.2 6.6 30.9 29.3 < 5.6 31.9 29.8 13.6 33.7 21.2 13.0 34.1 20.5 14.4 < 34.1 21.0 7.8 31.1 21.1 8.4 30.3 21.2 8.3 31.8 < 21.4 7.6 31.6 35.1 7.9 32.3 34.5 8.0 31.8 35.9 --- > 29.7 25.4 8.0 28.7 26.5 12.6 29.7 36.3 13.4 29.5 > 35.9 12.7 29.4 37.2 5.7 31.2 29.2 6.6 30.9 29.3 > 5.6 31.9 29.8 13.6 33.7 21.2 13.0 34.0 20.5 14.4 > 34.0 21.0 7.8 31.1 21.1 8.5 30.3 21.2 8.3 31.8 > 21.4 7.6 31.6 35.1 7.9 32.3 34.5 7.9 31.8 36.0 5808,5811c5808,5811 < 27.0 19.7 9.6 26.3 19.1 8.3 26.9 19.6 15.3 25.9 < 27.6 15.7 25.0 27.3 16.1 26.5 27.5 14.9 31.6 22.2 < 14.4 31.4 23.0 14.3 32.0 21.6 20.9 25.5 27.7 21.4 < 24.6 27.6 20.1 25.2 27.9 9.3 28.8 21.8 9.7 28.2 --- > 27.0 19.7 9.6 26.3 19.2 8.3 26.9 19.6 15.3 25.9 > 27.6 15.7 25.0 27.3 16.1 26.5 27.5 14.9 31.6 22.1 > 14.4 31.4 23.0 14.2 32.0 21.6 20.9 25.5 27.7 21.4 > 24.6 27.6 20.1 25.2 27.9 9.3 28.8 21.8 9.8 28.3 5820c5820 < 38.7 24.6 8.9 37.5 24.4 9.4 26.7 35.5 8.9 26.2 --- > 38.7 24.5 8.9 37.5 24.3 9.4 26.7 35.5 8.9 26.2 5823,5824c5823,5824 < 26.3 21.5 9.9 28.9 37.0 10.8 29.2 36.7 9.4 29.8 < 37.1 17.1 30.2 34.8 17.4 29.6 34.2 16.2 30.4 34.7 --- > 26.3 21.5 9.9 28.9 37.0 10.8 29.1 36.8 9.5 29.8 > 37.2 17.1 30.2 34.8 17.3 29.5 34.2 16.2 30.4 34.7 5827,5828c5827,5828 < 25.8 19.0 31.8 25.6 20.0 31.6 26.7 14.2 23.1 34.4 < 14.1 24.0 34.1 14.8 23.2 35.2 17.6 28.3 33.0 17.5 --- > 25.8 19.0 31.8 25.7 20.0 31.6 26.7 14.2 23.1 34.4 > 14.1 24.0 34.1 14.7 23.1 35.2 17.6 28.3 33.0 17.5 5832,5833c5832,5833 < 30.2 30.5 10.2 27.1 23.6 10.6 27.7 24.3 9.8 26.5 < 24.1 8.0 25.3 37.3 7.4 26.0 37.2 7.5 24.5 37.4 --- > 30.2 30.5 10.2 27.1 23.6 10.6 27.7 24.3 9.7 26.5 > 24.1 8.0 25.3 37.3 7.4 26.0 37.2 7.4 24.5 37.4 5836c5836 < 25.8 5.8 26.8 26.2 6.6 26.5 24.9 11.2 31.8 32.7 --- > 25.8 5.8 26.8 26.1 6.6 26.5 24.9 11.2 31.8 32.7 5839,5841c5839,5841 < 23.7 12.2 33.6 22.4 9.1 19.6 39.9 8.9 19.0 40.7 < 9.7 20.3 40.3 5.1 30.9 23.4 5.5 31.7 23.0 5.7 < 30.2 23.3 6.6 34.7 24.8 6.8 35.6 24.6 7.4 34.3 --- > 23.6 12.2 33.6 22.4 9.1 19.6 39.9 8.9 19.0 40.7 > 9.7 20.3 40.3 5.1 30.9 23.4 5.5 31.6 22.9 5.6 > 30.1 23.3 6.6 34.7 24.7 6.8 35.6 24.6 7.4 34.3 5847c5847 < 31.1 35.7 10.6 32.0 36.3 14.8 17.5 32.0 14.1 18.0 --- > 31.1 35.7 10.7 32.0 36.4 14.8 17.5 32.0 14.1 18.0 5849c5849 < 4.1 29.6 25.8 13.9 26.1 20.8 13.0 26.0 20.8 14.2 --- > 4.1 29.6 25.9 13.9 26.1 20.8 13.0 25.9 20.8 14.2 5853c5853 < 29.8 22.3 18.4 29.8 22.2 19.7 29.0 21.8 14.3 25.3 --- > 29.8 22.2 18.4 29.8 22.2 19.6 28.9 21.8 14.3 25.3 5855c5855 < 12.3 30.6 23.5 12.4 32.1 23.8 17.8 29.6 28.2 17.2 --- > 12.3 30.6 23.5 12.4 32.1 23.7 17.8 29.6 28.2 17.2 5858,5859c5858,5859 < 18.3 27.1 26.5 8.1 23.8 21.0 7.2 24.2 20.9 8.5 < 23.8 20.1 9.8 18.7 24.6 9.5 17.9 24.0 9.7 18.3 --- > 18.3 27.1 26.5 8.1 23.8 21.0 7.2 24.1 20.9 8.5 > 23.9 20.1 9.8 18.7 24.6 9.6 17.9 24.0 9.7 18.3 5864,5865c5864,5865 < 10.9 29.8 21.7 12.1 30.4 21.0 17.3 32.2 25.3 16.6 < 31.6 25.3 16.8 33.0 25.6 16.2 23.3 26.7 15.5 22.7 --- > 10.9 29.8 21.7 12.1 30.4 21.0 17.3 32.2 25.3 16.7 > 31.5 25.4 16.9 33.0 25.6 16.2 23.3 26.7 15.5 22.7 5867,5868c5867,5868 < 17.0 34.8 26.9 16.7 15.9 28.1 17.1 15.4 27.3 17.0 < 16.8 28.0 4.1 27.8 25.8 3.8 27.3 25.0 3.4 27.6 --- > 17.0 34.8 27.0 16.7 15.9 28.1 17.1 15.4 27.3 17.0 > 16.8 28.0 4.1 27.8 25.8 3.9 27.4 25.0 3.4 27.6 5870,5871c5870,5871 < 12.4 30.7 19.3 12.3 30.1 18.6 13.2 31.1 19.1 9.0 < 25.3 25.2 8.1 25.6 25.6 9.5 24.9 25.9 11.2 34.9 --- > 12.4 30.7 19.3 12.3 30.1 18.6 13.2 31.2 19.1 9.0 > 25.3 25.2 8.1 25.6 25.5 9.4 24.9 25.9 11.2 34.9 5878,5879c5878,5879 < 30.8 6.1 26.8 23.1 5.1 26.6 23.3 6.3 26.3 22.4 < 5.4 23.6 25.9 5.8 24.5 25.9 6.2 23.1 26.0 6.4 --- > 30.8 6.0 26.8 23.1 5.1 26.6 23.3 6.3 26.3 22.4 > 5.4 23.6 25.9 5.8 24.5 25.8 6.2 23.1 26.0 6.4 5882c5882 < 11.4 22.9 35.2 12.8 22.2 35.2 17.4 30.8 37.5 17.3 --- > 11.4 22.9 35.2 12.8 22.3 35.3 17.4 30.8 37.5 17.2 5886c5886 < 38.2 21.3 13.3 32.2 28.4 12.7 32.6 28.9 12.7 31.7 --- > 38.3 21.3 13.3 32.2 28.4 12.7 32.6 28.9 12.7 31.7 5888c5888 < 16.2 29.2 17.9 15.8 29.1 17.1 15.6 29.8 18.3 9.4 --- > 16.2 29.2 17.9 15.8 29.1 17.1 15.6 29.8 18.4 9.4 5890,5891c5890,5891 < 36.0 18.8 33.6 35.3 19.1 35.1 35.6 7.9 22.9 35.1 < 7.4 23.1 35.9 7.3 22.6 34.4 6.8 39.6 29.4 7.0 --- > 36.0 18.8 33.6 35.3 19.1 35.0 35.6 7.9 22.9 35.1 > 7.4 23.1 35.9 7.3 22.6 34.5 6.8 39.6 29.4 7.0 5893c5893 < 18.2 9.1 22.4 18.4 19.0 32.1 34.2 18.3 31.5 34.4 --- > 18.3 9.1 22.4 18.5 19.0 32.1 34.2 18.3 31.5 34.4 5896c5896 < 29.8 11.8 35.8 24.7 11.1 36.5 24.5 12.5 36.2 25.1 --- > 29.8 11.8 35.8 24.7 11.1 36.5 24.5 12.5 36.2 25.2 5900c5900 < 14.4 30.9 25.3 15.3 29.9 24.7 10.2 24.1 27.1 10.0 --- > 14.4 30.9 25.2 15.3 29.9 24.7 10.2 24.1 27.1 10.0 5903,5904c5903,5904 < 8.1 34.0 32.9 17.5 32.5 22.6 17.6 32.4 23.6 16.6 < 32.1 22.4 17.6 20.1 29.9 16.6 19.8 29.9 17.8 20.1 --- > 8.1 34.0 32.9 17.5 32.5 22.6 17.5 32.4 23.6 16.7 > 32.0 22.4 17.6 20.1 29.9 16.6 19.8 29.9 17.8 20.1 5906,5908c5906,5908 < 13.7 37.2 26.1 14.1 36.5 26.4 14.4 37.8 25.8 14.6 < 36.5 22.9 14.9 36.0 22.1 15.3 36.2 23.5 13.5 28.6 < 38.7 12.8 28.1 39.0 14.3 28.3 39.1 5.6 32.9 31.3 --- > 13.7 37.2 26.0 14.1 36.5 26.5 14.4 37.8 25.8 14.7 > 36.5 22.9 14.9 36.1 22.1 15.4 36.3 23.5 13.5 28.6 > 38.7 12.7 28.1 39.0 14.2 28.3 39.2 5.6 32.9 31.3 5910c5910 < 38.0 24.7 7.3 37.6 26.0 10.9 39.9 31.0 10.9 39.8 --- > 38.0 24.7 7.4 37.6 26.0 10.9 39.9 31.0 10.9 39.8 5913,5914c5913,5914 < 23.3 37.6 16.9 33.5 37.9 17.5 33.9 37.2 16.4 34.3 < 38.2 3.4 26.5 23.5 3.5 25.6 23.3 2.9 26.9 22.8 --- > 23.3 37.6 16.9 33.5 37.9 17.5 33.9 37.3 16.4 34.3 > 38.2 3.4 26.5 23.5 3.6 25.7 23.2 2.9 27.0 22.9 5918,5921c5918,5921 < 10.5 21.1 35.2 9.1 21.6 35.2 4.2 23.9 23.4 3.5 < 23.3 23.4 4.8 23.6 24.1 14.0 34.7 27.6 13.8 33.8 < 27.8 14.8 34.6 27.0 7.4 23.6 23.6 7.6 23.7 22.7 < 8.0 24.2 24.0 18.2 35.1 28.4 19.0 34.6 28.5 17.7 --- > 10.5 21.0 35.2 9.1 21.6 35.3 4.2 23.9 23.4 3.5 > 23.2 23.3 4.8 23.5 24.1 14.0 34.7 27.6 13.8 33.9 > 27.8 14.8 34.6 27.0 7.4 23.6 23.6 7.6 23.6 22.6 > 7.9 24.2 24.0 18.2 35.1 28.4 19.0 34.6 28.5 17.7 5924,5925c5924,5925 < 9.8 21.9 22.2 10.7 22.2 22.0 9.3 22.6 21.8 13.4 < 22.8 23.7 13.7 23.7 23.6 12.7 22.7 23.0 7.7 25.7 --- > 9.8 21.9 22.2 10.8 22.2 22.1 9.3 22.6 21.8 13.4 > 22.8 23.7 13.6 23.7 23.5 12.7 22.6 23.0 7.7 25.7 5932,5935c5932,5935 < 28.4 23.6 29.4 25.4 24.1 28.6 25.1 22.8 29.4 24.9 < 18.1 35.0 21.7 19.0 35.3 21.8 18.2 34.1 22.0 2.7 < 27.6 34.6 2.7 28.5 35.0 2.7 27.8 33.7 20.6 32.2 < 21.9 20.3 32.7 21.2 20.1 31.4 22.0 10.4 35.2 34.6 --- > 28.4 23.6 29.4 25.4 24.1 28.5 25.1 22.8 29.4 24.9 > 18.1 35.0 21.7 19.0 35.4 21.8 18.2 34.1 22.0 2.7 > 27.6 34.6 2.7 28.4 35.1 2.7 27.9 33.7 20.6 32.2 > 22.0 20.3 32.7 21.2 20.1 31.4 22.0 10.4 35.2 34.6 5940,5941c5940,5941 < 33.8 28.9 9.7 24.0 39.1 9.1 24.3 38.5 10.1 23.3 < 38.7 20.5 32.9 37.6 19.8 33.4 37.1 20.7 33.5 38.3 --- > 33.8 28.9 9.7 24.0 39.2 9.1 24.3 38.5 10.1 23.2 > 38.8 20.5 32.9 37.6 19.9 33.4 37.1 20.8 33.5 38.3 5943,5946c5943,5946 < 33.2 22.2 9.1 34.0 21.6 9.6 33.2 22.8 17.5 25.7 < 36.5 18.3 25.8 36.1 17.6 26.1 37.3 10.4 24.3 35.0 < 9.6 23.8 35.0 10.1 25.2 35.3 22.5 32.9 35.7 21.9 < 33.0 36.5 22.0 32.3 35.1 22.5 29.4 27.8 23.0 30.1 --- > 33.2 22.2 9.1 34.0 21.6 9.6 33.3 22.8 17.5 25.7 > 36.5 18.3 25.8 36.1 17.5 26.1 37.3 10.4 24.3 35.0 > 9.6 23.7 35.0 10.1 25.1 35.5 22.5 32.9 35.7 22.0 > 33.0 36.5 21.9 32.4 35.1 22.5 29.4 27.8 23.0 30.1 5949,5950c5949,5950 < 29.2 23.0 13.2 19.2 33.2 13.8 20.0 33.1 13.1 19.1 < 34.2 5.6 24.9 21.1 4.9 24.7 20.4 5.3 24.3 21.8 --- > 29.3 23.0 13.2 19.2 33.2 13.8 20.0 33.1 13.1 19.1 > 34.2 5.6 24.9 21.1 4.9 24.6 20.4 5.4 24.3 21.8 5955,5956c5955,5956 < 35.3 21.0 15.7 36.0 20.1 17.9 34.3 18.3 17.4 33.6 < 18.9 18.7 34.4 18.7 21.1 26.8 31.6 20.9 25.9 31.5 --- > 35.3 21.0 15.7 36.0 20.0 17.9 34.2 18.3 17.4 33.6 > 18.9 18.7 34.4 18.8 21.1 26.8 31.6 20.9 25.9 31.5 5961,5968c5961,5968 < 31.1 39.5 14.0 31.5 39.8 13.3 30.4 39.0 10.0 25.3 < 17.8 9.6 24.4 17.9 9.9 25.4 16.8 2.2 27.2 27.8 < 1.3 27.1 27.5 2.1 27.8 28.6 5.1 29.2 31.9 5.2 < 30.1 32.2 5.7 28.7 32.4 12.4 18.8 23.4 11.5 19.1 < 23.8 12.8 18.4 24.1 13.6 17.8 25.6 14.2 18.5 25.9 < 14.1 17.1 25.4 9.7 25.8 41.0 8.9 26.1 40.8 9.9 < 25.1 40.3 10.1 21.1 17.7 10.9 21.3 17.3 9.9 20.1 < 17.5 1.7 29.3 29.5 0.8 29.4 29.5 2.1 30.1 29.1 --- > 31.1 39.5 13.9 31.6 39.7 13.3 30.4 38.9 10.0 25.3 > 17.8 9.7 24.4 17.9 9.9 25.4 16.8 2.2 27.2 27.8 > 1.3 27.1 27.5 2.0 27.8 28.6 5.1 29.2 31.9 5.2 > 30.1 32.2 5.7 28.7 32.4 12.3 18.8 23.4 11.5 19.1 > 23.8 12.8 18.5 24.1 13.6 17.8 25.6 14.2 18.5 25.9 > 14.1 17.1 25.3 9.7 25.8 41.0 8.9 26.2 40.8 9.9 > 25.1 40.3 10.0 21.1 17.7 10.9 21.3 17.3 10.0 20.1 > 17.6 1.7 29.3 29.5 0.8 29.4 29.5 2.1 30.1 29.1 5973,5975c5973,5975 < 31.3 33.9 4.9 31.8 34.1 6.4 29.2 35.7 6.8 30.1 < 35.4 6.8 28.6 35.1 16.0 22.2 24.2 15.1 22.3 23.9 < 16.5 22.6 23.5 19.9 23.0 25.9 20.8 22.7 26.2 19.3 --- > 31.3 33.9 4.9 31.8 34.1 6.4 29.2 35.7 6.8 30.0 > 35.4 6.8 28.5 35.1 16.0 22.2 24.2 15.1 22.3 23.9 > 16.5 22.6 23.5 19.9 23.0 25.9 20.8 22.7 26.2 19.4 5978,5981c5978,5981 < 14.9 31.6 18.6 15.6 31.9 19.1 14.6 32.4 18.1 15.9 < 28.5 23.8 16.3 29.0 23.1 15.9 27.6 23.5 20.1 25.0 < 24.0 19.9 24.2 24.6 19.7 25.7 24.4 25.3 25.6 26.5 < 24.9 26.0 27.2 24.9 26.0 25.7 7.2 37.6 27.7 7.2 --- > 14.9 31.6 18.6 15.5 31.9 19.2 14.6 32.4 18.1 15.9 > 28.5 23.8 16.3 29.0 23.1 15.9 27.6 23.4 20.1 25.0 > 24.0 19.9 24.2 24.5 19.6 25.7 24.4 25.3 25.6 26.5 > 24.9 26.0 27.2 24.9 25.9 25.7 7.2 37.6 27.7 7.2 5983,5985c5983,5985 < 19.7 17.2 32.2 20.8 16.8 29.6 21.4 16.5 29.4 20.5 < 16.2 30.3 21.6 2.0 25.1 35.6 2.5 25.1 36.5 2.2 < 25.9 35.2 15.8 31.4 39.5 16.3 31.0 38.9 15.8 32.4 --- > 19.7 17.2 32.2 20.8 16.8 29.5 21.4 16.5 29.4 20.5 > 16.2 30.3 21.7 2.0 25.1 35.7 2.6 25.0 36.4 2.2 > 26.0 35.3 15.8 31.4 39.5 16.3 31.0 38.9 15.8 32.4 5990c5990 < 8.1 21.0 39.5 6.6 21.0 39.9 27.9 43.9 30.1 28.6 --- > 8.1 21.1 39.5 6.6 20.9 39.9 27.9 43.9 30.1 28.6 5993c5993 < 18.2 43.9 26.3 23.5 45.1 37.0 24.0 44.7 36.3 23.8 --- > 18.2 43.9 26.3 23.5 45.1 37.0 24.0 44.7 36.3 23.7 5995c5995 < 29.4 24.6 49.1 22.2 24.0 49.5 21.5 25.3 49.8 22.3 --- > 29.4 24.6 49.1 22.2 24.1 49.5 21.5 25.3 49.8 22.3 5997c5997 < 47.0 34.9 19.9 47.9 34.3 20.0 47.3 35.8 19.8 43.2 --- > 47.0 34.9 19.9 47.9 34.4 20.0 47.3 35.8 19.8 43.2 6000,6001c6000,6001 < 40.6 27.2 27.4 41.7 27.7 25.4 46.6 21.7 24.4 46.4 < 21.7 25.4 47.6 21.9 31.7 41.5 27.7 31.8 40.6 27.9 --- > 40.6 27.2 27.4 41.7 27.7 25.4 46.6 21.7 24.4 46.5 > 21.7 25.5 47.6 21.9 31.7 41.5 27.7 31.8 40.6 27.9 6005c6005 < 22.4 38.3 21.4 22.0 39.1 21.7 23.1 38.5 20.9 24.8 --- > 22.4 38.3 21.4 22.0 39.1 21.8 23.1 38.5 20.9 24.8 6009,6010c6009,6010 < 41.2 22.3 20.8 41.2 21.0 16.0 43.2 29.2 15.9 43.5 < 30.1 15.5 43.8 28.7 21.6 41.9 36.5 21.1 42.7 36.9 --- > 41.1 22.4 20.7 41.2 21.0 16.0 43.2 29.2 15.9 43.5 > 30.1 15.5 43.8 28.7 21.6 41.9 36.6 21.1 42.7 36.9 6012,6014c6012,6014 < 35.8 29.6 27.7 41.2 22.8 28.4 41.8 22.6 27.9 40.4 < 22.3 20.9 44.3 37.7 21.8 44.7 37.4 20.5 45.1 38.0 < 27.5 45.8 35.0 27.8 45.3 34.3 26.7 45.4 35.2 22.1 --- > 35.8 29.6 27.7 41.2 22.8 28.4 41.8 22.7 28.0 40.4 > 22.3 20.9 44.3 37.7 21.8 44.6 37.3 20.5 45.2 38.0 > 27.5 45.8 35.0 27.7 45.2 34.3 26.7 45.4 35.4 22.1 6017c6017 < 29.9 47.3 26.1 31.1 47.0 27.0 25.5 39.1 34.2 25.7 --- > 29.9 47.3 26.1 31.1 47.0 27.0 25.4 39.1 34.2 25.6 6022,6023c6022,6023 < 30.6 21.0 42.3 23.7 21.3 42.6 24.5 20.4 41.6 23.9 < 18.8 40.4 37.6 18.3 41.2 37.7 18.5 40.0 36.8 15.0 --- > 30.6 21.0 42.3 23.7 21.3 42.6 24.5 20.5 41.5 23.9 > 18.8 40.4 37.6 18.3 41.2 37.7 18.6 40.0 36.8 15.0 6025c6025 < 31.6 30.3 48.0 31.4 29.2 48.1 32.6 17.5 42.2 25.2 --- > 31.6 30.3 48.0 31.5 29.2 48.1 32.6 17.5 42.2 25.2 6027c6027 < 47.3 34.4 21.4 46.8 34.0 13.6 40.3 31.2 13.5 41.1 --- > 47.4 34.3 21.5 46.8 34.0 13.6 40.3 31.2 13.5 41.1 6029,6031c6029,6031 < 37.5 43.6 27.7 22.4 48.8 24.0 22.4 49.7 24.4 23.2 < 48.9 23.4 20.3 34.9 39.5 20.4 34.6 40.4 21.1 35.5 < 39.4 15.1 46.7 24.3 15.8 47.4 24.5 15.6 45.9 24.1 --- > 37.5 43.6 27.7 22.4 48.8 24.0 22.3 49.7 24.3 23.2 > 48.9 23.3 20.3 34.9 39.5 20.4 34.5 40.4 21.1 35.5 > 39.4 15.1 46.7 24.3 15.8 47.4 24.4 15.6 46.0 24.0 6033,6037c6033,6037 < 37.7 36.5 22.8 37.7 36.9 22.2 37.8 35.6 15.9 41.1 < 35.3 15.9 40.3 35.8 15.1 41.0 34.7 23.4 50.2 37.1 < 23.2 49.3 36.8 24.3 50.4 36.7 19.6 50.5 31.0 20.2 < 49.9 30.6 18.7 50.2 30.7 25.8 50.3 35.9 26.1 50.3 < 35.0 26.5 49.8 36.3 22.9 47.6 36.4 23.1 46.7 36.5 --- > 37.7 36.5 22.8 37.7 36.9 22.1 37.8 35.6 15.9 41.1 > 35.2 15.9 40.4 35.9 15.0 41.0 34.8 23.4 50.2 37.1 > 23.2 49.4 36.7 24.2 50.5 36.6 19.6 50.5 31.0 20.2 > 49.9 30.5 18.7 50.2 30.7 25.8 50.3 35.9 26.0 50.2 > 35.0 26.5 49.8 36.3 22.9 47.6 36.4 23.1 46.7 36.4 6039,6041c6039,6041 < 33.6 31.5 13.4 44.6 25.5 14.1 45.2 25.4 13.8 43.8 < 25.7 24.0 40.6 20.7 23.1 40.5 21.0 24.4 40.9 21.5 < 22.6 37.7 25.8 21.9 37.1 25.7 23.0 37.9 25.0 25.3 --- > 33.6 31.5 13.4 44.6 25.5 14.1 45.2 25.3 13.8 43.8 > 25.7 24.0 40.6 20.7 23.1 40.4 21.0 24.4 40.9 21.5 > 22.6 37.7 25.8 21.9 37.1 25.6 23.0 37.9 25.0 25.3 6044,6047c6044,6047 < 28.9 45.4 22.6 30.1 45.0 21.8 24.9 40.8 23.2 24.7 < 41.3 24.0 25.8 40.9 23.1 23.4 46.4 24.6 23.6 45.9 < 23.8 23.0 47.2 24.3 29.2 45.0 27.9 28.8 45.5 27.2 < 29.9 45.5 28.2 18.3 37.1 26.5 19.1 36.8 26.1 18.2 --- > 28.9 45.4 22.6 30.1 45.1 21.8 24.9 40.8 23.2 24.7 > 41.4 24.0 25.8 41.0 23.0 23.4 46.4 24.6 23.6 45.9 > 23.8 22.9 47.2 24.3 29.2 45.0 27.9 28.8 45.5 27.2 > 29.9 45.5 28.2 18.3 37.1 26.5 19.1 36.8 26.0 18.2 6049,6051c6049,6051 < 26.3 18.7 38.4 20.4 18.2 39.2 20.6 18.9 38.4 19.5 < 20.6 33.8 24.0 20.3 33.4 23.3 20.5 33.1 24.7 22.5 < 44.9 17.2 21.5 44.8 17.1 22.8 44.0 17.2 25.7 53.2 --- > 26.3 18.7 38.4 20.4 18.2 39.2 20.6 19.0 38.4 19.5 > 20.6 33.8 24.0 20.2 33.4 23.3 20.6 33.1 24.7 22.5 > 44.9 17.2 21.5 44.8 17.1 22.8 44.0 17.1 25.7 53.2 6054,6055c6054,6055 < 43.2 25.2 25.3 42.1 26.3 22.7 45.8 21.9 22.0 45.2 < 22.0 22.8 46.1 21.0 28.1 47.1 26.6 27.4 46.9 26.1 --- > 43.2 25.3 25.3 42.1 26.3 22.7 45.8 21.9 21.9 45.3 > 22.0 22.7 46.1 21.0 28.1 47.1 26.6 27.4 46.9 26.0 6059c6059 < 14.8 42.3 25.5 14.3 42.2 24.7 14.4 41.7 26.1 21.2 --- > 14.8 42.3 25.5 14.4 42.2 24.7 14.3 41.7 26.1 21.2 6063c6063 < 50.5 27.0 23.1 49.9 27.9 26.2 41.7 34.3 26.8 41.8 --- > 50.5 27.0 23.1 49.9 27.9 26.2 41.7 34.2 26.8 41.8 6068,6072c6068,6072 < 25.0 48.7 32.1 24.8 49.6 32.4 24.2 48.5 31.6 16.4 < 42.4 22.7 15.5 42.1 22.8 16.7 41.8 22.0 16.2 38.5 < 25.7 16.3 39.3 26.2 16.9 38.0 25.9 17.4 39.1 32.7 < 17.7 38.4 32.1 16.5 38.9 32.8 32.0 47.8 30.7 32.2 < 48.8 30.9 32.8 47.4 30.9 23.0 38.0 34.1 22.5 38.6 --- > 25.0 48.7 32.1 24.9 49.6 32.4 24.2 48.5 31.6 16.4 > 42.4 22.7 15.5 42.1 22.9 16.7 41.8 22.0 16.2 38.5 > 25.7 16.4 39.3 26.2 17.0 38.0 25.9 17.4 39.1 32.7 > 17.7 38.4 32.1 16.5 38.9 32.8 32.0 47.8 30.7 32.3 > 48.7 30.8 32.8 47.3 30.9 23.0 38.0 34.1 22.5 38.6 6074c6074 < 27.8 47.4 37.6 25.2 44.3 35.0 24.9 44.7 34.2 25.3 --- > 27.7 47.4 37.6 25.2 44.3 35.0 24.9 44.6 34.1 25.3 6076c6076 < 30.6 23.1 52.6 21.6 23.6 53.1 22.3 22.2 52.6 21.9 --- > 30.6 23.1 52.6 21.6 23.6 53.2 22.2 22.2 52.7 21.9 6079c6079 < 18.8 27.4 44.2 18.0 27.2 45.5 18.7 18.8 41.5 32.5 --- > 18.8 27.4 44.3 18.0 27.3 45.6 18.7 18.8 41.5 32.5 6081,6082c6081,6082 < 49.1 35.3 30.4 50.4 35.8 18.5 39.0 35.2 17.7 38.9 < 35.7 18.1 39.1 34.3 19.1 38.3 17.8 18.8 38.5 16.9 --- > 49.1 35.3 30.4 50.4 35.9 18.4 39.0 35.2 17.7 38.9 > 35.8 18.0 39.1 34.3 19.1 38.3 17.8 18.9 38.5 16.9 6086,6088c6086,6088 < 22.7 53.4 32.0 21.9 53.8 32.4 22.4 53.0 31.2 22.5 < 51.1 25.3 22.1 51.7 24.7 23.4 51.4 25.4 24.8 37.1 < 27.5 25.1 36.3 27.1 24.0 37.3 27.1 33.3 43.0 29.1 --- > 22.7 53.4 32.0 21.9 53.7 32.5 22.4 53.0 31.2 22.5 > 51.1 25.3 22.1 51.7 24.6 23.4 51.5 25.3 24.8 37.1 > 27.5 25.1 36.4 27.1 24.0 37.3 27.1 33.3 43.0 29.1 6090c6090 < 51.3 33.5 23.5 51.8 32.7 26.1 46.2 24.9 25.2 46.4 --- > 51.3 33.5 23.5 51.8 32.8 26.1 46.2 24.9 25.2 46.4 6092c6092 < 21.4 39.0 26.7 30.9 42.2 25.2 31.2 43.0 24.9 31.4 --- > 21.4 39.0 26.6 30.9 42.2 25.2 31.2 43.0 24.9 31.4 6097c6097 < 26.1 25.1 51.2 26.7 25.7 52.5 26.4 24.9 52.5 23.5 --- > 26.1 25.0 51.1 26.7 25.7 52.5 26.5 24.9 52.5 23.5 6099,6101c6099,6101 < 42.9 39.7 25.0 43.0 39.6 16.1 49.1 32.0 16.4 48.2 < 32.1 15.2 49.1 32.2 17.4 49.8 29.8 16.7 49.9 29.2 < 17.0 49.9 30.7 9.4 40.9 29.1 10.0 40.6 29.7 8.6 --- > 43.1 39.7 25.0 43.0 39.6 16.1 49.1 31.9 16.4 48.2 > 32.1 15.2 49.1 32.2 17.4 49.8 29.8 16.6 50.0 29.2 > 17.1 50.0 30.7 9.4 40.9 29.1 10.0 40.6 29.7 8.6 6104c6104 < 16.3 38.8 36.8 17.0 38.3 37.2 15.5 38.4 37.2 27.8 --- > 16.3 38.8 36.8 17.0 38.3 37.2 15.5 38.3 37.2 27.8 6106c6106 < 23.1 14.5 40.4 23.1 13.2 41.0 22.7 25.4 53.5 29.1 --- > 23.1 14.5 40.5 23.0 13.2 41.1 22.7 25.4 53.5 29.1 6109,6110c6109,6110 < 31.4 28.0 49.4 31.2 19.8 36.7 35.2 20.5 37.0 35.7 < 19.1 37.4 35.2 15.5 38.9 23.1 15.2 38.0 23.0 15.9 --- > 31.4 27.9 49.3 31.1 19.8 36.7 35.2 20.5 37.0 35.7 > 19.1 37.4 35.3 15.5 38.9 23.1 15.3 38.0 23.0 16.0 6113c6113 < 27.3 51.5 28.9 28.0 52.0 29.1 27.2 50.8 29.6 20.2 --- > 27.3 51.5 28.9 28.1 52.0 29.1 27.2 50.9 29.6 20.2 6116,6117c6116,6117 < 21.4 36.6 21.3 20.1 37.1 20.6 24.1 38.2 23.6 24.2 < 39.2 23.6 23.6 38.1 22.8 17.9 39.9 27.4 18.8 39.5 --- > 21.4 36.5 21.4 20.2 37.1 20.6 24.1 38.3 23.6 24.2 > 39.2 23.6 23.6 38.1 22.8 17.9 39.9 27.4 18.7 39.5 6120,6122c6120,6122 < 37.3 31.6 28.3 51.1 24.7 28.6 50.7 23.9 28.6 52.0 < 24.6 13.3 42.8 32.0 12.8 43.3 31.4 14.2 43.3 32.0 < 20.4 36.4 24.9 20.5 35.5 24.6 19.8 36.8 24.2 23.2 --- > 37.3 31.6 28.3 51.1 24.7 28.6 50.6 23.9 28.6 52.0 > 24.5 13.3 42.8 32.0 12.8 43.3 31.4 14.2 43.3 32.0 > 20.4 36.4 24.9 20.5 35.5 24.6 19.9 36.8 24.2 23.2 6124,6125c6124,6125 < 25.3 34.2 43.5 24.8 33.1 44.5 24.9 29.2 50.7 22.2 < 30.0 51.2 21.9 29.6 49.8 22.2 13.2 41.1 34.3 13.0 --- > 25.3 34.2 43.5 24.8 33.1 44.5 24.9 29.2 50.7 22.1 > 30.0 51.2 22.0 29.6 49.8 22.3 13.2 41.1 34.3 13.1 6128c6128 < 22.5 50.8 34.2 22.9 54.3 28.5 22.2 53.7 28.6 23.7 --- > 22.5 50.8 34.2 22.9 54.3 28.5 22.2 53.7 28.5 23.7 6132,6138c6132,6138 < 38.9 38.7 20.1 39.7 38.5 20.9 38.6 37.8 31.6 48.1 < 37.6 31.1 48.7 37.2 31.5 48.3 38.6 31.2 45.7 34.9 < 31.4 45.3 35.8 30.9 45.0 34.4 19.8 48.2 23.3 19.8 < 49.0 22.7 20.6 48.3 23.7 28.0 41.1 36.4 28.9 40.9 < 36.1 28.0 41.2 37.3 20.6 40.7 34.5 20.1 40.2 35.1 < 21.1 41.3 35.1 33.3 47.6 35.4 33.0 48.0 36.2 32.5 < 47.1 35.2 33.8 45.3 27.8 34.5 45.8 28.1 34.0 45.1 --- > 38.9 38.7 20.2 39.7 38.6 20.9 38.6 37.8 31.6 48.1 > 37.6 31.1 48.8 37.2 31.5 48.3 38.6 31.2 45.7 34.9 > 31.4 45.4 35.8 30.9 45.0 34.4 19.8 48.2 23.3 19.8 > 48.9 22.6 20.7 48.3 23.7 28.0 41.1 36.4 28.9 40.8 > 36.2 28.0 41.1 37.3 20.6 40.7 34.5 20.2 40.2 35.2 > 21.2 41.3 35.0 33.3 47.6 35.4 33.1 48.1 36.2 32.4 > 47.2 35.2 33.8 45.3 27.8 34.5 45.8 28.1 34.0 45.1 6140c6140 < 17.0 44.9 23.7 16.7 44.1 23.3 17.7 45.3 23.1 23.6 --- > 17.0 44.9 23.7 16.7 44.1 23.2 17.7 45.3 23.1 23.6 6142c6142 < 20.9 16.0 40.4 20.2 16.2 39.8 21.6 24.2 31.3 28.7 --- > 20.9 16.0 40.5 20.2 16.1 39.9 21.6 24.2 31.3 28.7 6144c6144 < 50.4 19.8 23.4 51.2 20.7 28.9 39.9 31.3 29.9 40.1 --- > 50.4 19.7 23.4 51.2 20.6 28.9 39.9 31.3 29.9 40.1 6146,6147c6146,6147 < 25.9 37.6 33.2 26.5 51.1 22.0 27.5 50.9 22.1 26.6 < 51.7 21.2 28.8 49.8 18.7 28.3 49.5 19.5 29.6 50.0 --- > 25.9 37.6 33.2 26.5 51.1 22.0 27.4 50.8 22.2 26.6 > 51.6 21.2 28.8 49.8 18.7 28.3 49.5 19.5 29.6 50.0 6149,6150c6149,6150 < 23.1 42.3 17.5 23.9 41.9 17.8 22.4 41.6 17.8 31.6 < 40.2 30.8 31.8 39.9 29.9 32.3 39.8 31.3 28.4 33.7 --- > 23.0 42.3 17.5 23.9 41.9 17.8 22.4 41.6 17.8 31.6 > 40.2 30.8 31.9 39.9 29.9 32.3 39.8 31.3 28.4 33.7 6154c6154 < 40.2 23.5 44.8 40.0 20.7 40.6 17.7 20.4 39.7 17.8 --- > 40.2 23.5 44.8 40.1 20.7 40.6 17.7 20.4 39.7 17.8 6157c6157 < 32.5 23.0 34.7 23.4 22.0 34.5 23.4 23.3 34.5 24.3 --- > 32.5 23.0 34.7 23.4 22.1 34.5 23.4 23.3 34.5 24.3 6159,6163c6159,6163 < 40.2 41.2 19.5 40.2 41.0 20.7 39.5 40.6 20.7 36.2 < 17.4 21.7 36.5 17.4 20.7 35.4 16.9 12.2 43.8 29.7 < 11.9 43.5 28.8 12.9 44.5 29.4 27.1 35.1 23.9 26.9 < 36.0 23.9 27.1 34.7 23.1 26.1 35.0 26.4 26.4 35.3 < 25.6 26.8 34.5 26.8 19.9 43.1 40.1 20.8 42.9 40.3 --- > 40.2 41.2 19.5 40.2 41.0 20.8 39.5 40.6 20.7 36.2 > 17.4 21.7 36.5 17.3 20.7 35.4 16.9 12.2 43.8 29.7 > 11.9 43.5 28.8 12.9 44.5 29.4 27.1 35.0 24.0 26.9 > 36.0 23.8 27.1 34.6 23.1 26.1 35.0 26.4 26.4 35.2 > 25.5 26.8 34.4 26.8 19.9 43.1 40.1 20.8 42.9 40.3 6165,6167c6165,6167 < 45.5 29.0 16.9 46.5 32.3 17.6 46.2 31.8 17.2 46.3 < 33.2 17.5 45.6 34.7 18.4 45.9 34.9 17.7 44.6 34.6 < 26.7 37.7 24.1 25.8 37.8 23.9 27.1 38.3 23.6 30.4 --- > 45.5 29.0 16.9 46.5 32.3 17.6 46.2 31.7 17.2 46.3 > 33.2 17.5 45.6 34.7 18.4 45.8 35.0 17.6 44.6 34.6 > 26.7 37.7 24.1 25.8 37.7 23.9 27.1 38.4 23.6 30.4 6170,6172c6170,6172 < 26.9 47.3 19.4 25.9 47.9 18.4 26.7 43.7 24.0 26.9 < 44.3 23.3 27.3 42.9 23.8 31.0 39.5 24.4 30.6 39.2 < 25.1 31.0 40.5 24.5 35.7 41.6 26.3 35.0 41.9 26.9 --- > 26.9 47.3 19.3 25.9 47.9 18.4 26.7 43.7 24.0 27.0 > 44.4 23.3 27.4 43.0 23.8 31.0 39.5 24.4 30.5 39.2 > 25.1 31.0 40.5 24.4 35.7 41.6 26.3 35.0 41.9 26.8 6175,6177c6175,6177 < 21.6 11.5 39.3 33.6 12.3 39.7 33.9 10.8 39.5 34.2 < 26.1 46.6 39.9 26.5 46.5 39.0 25.7 47.5 39.9 20.2 < 33.9 19.7 20.3 34.7 20.2 21.1 33.8 19.3 19.0 52.4 --- > 21.7 11.5 39.3 33.6 12.3 39.7 33.9 10.8 39.5 34.2 > 26.1 46.6 39.9 26.4 46.5 39.0 25.7 47.4 39.9 20.2 > 33.9 19.7 20.2 34.7 20.2 21.1 33.8 19.3 19.0 52.4 6179,6182c6179,6182 < 20.8 51.8 30.0 22.0 51.6 29.2 25.6 31.4 25.5 25.0 < 30.7 25.2 25.9 31.2 26.3 17.6 37.3 38.7 18.3 36.8 < 38.9 16.8 36.7 38.9 37.8 58.3 29.7 38.1 58.5 28.8 < 36.9 58.5 29.7 35.0 58.4 29.4 34.3 58.5 28.7 35.0 --- > 20.8 51.7 30.0 22.0 51.6 29.2 25.6 31.4 25.5 25.0 > 30.7 25.2 25.9 31.2 26.3 17.6 37.3 38.7 18.3 36.7 > 38.9 16.8 36.8 38.8 37.8 58.3 29.7 38.1 58.5 28.8 > 36.9 58.6 29.7 35.0 58.4 29.3 34.3 58.5 28.7 35.0 6184,6198c6184,6198 < 20.1 37.3 56.2 27.3 37.7 55.4 27.0 38.0 56.9 27.3 < 42.0 55.9 28.0 42.6 55.2 28.1 41.2 55.6 28.5 33.7 < 58.5 25.0 33.4 58.6 25.9 34.6 58.3 25.1 38.7 51.2 < 31.8 38.0 51.8 32.0 38.7 50.5 32.4 33.9 53.8 21.3 < 33.6 54.6 21.6 34.4 54.0 20.6 40.1 54.1 29.2 39.3 < 53.9 28.6 39.7 54.5 30.0 33.1 56.4 21.5 32.6 56.7 < 22.3 32.4 56.5 20.8 32.2 56.2 37.4 31.8 55.9 38.3 < 33.1 56.3 37.6 41.1 52.0 30.6 40.7 52.7 30.0 40.3 < 51.7 31.1 38.3 57.5 22.1 39.0 57.4 21.5 37.5 57.7 < 21.6 32.5 56.6 32.4 33.4 56.7 32.7 32.1 56.3 33.3 < 35.8 54.8 34.3 35.8 55.7 33.8 36.2 55.1 35.1 35.0 < 53.5 30.6 34.2 53.6 31.0 35.2 54.2 30.0 31.7 57.6 < 23.4 32.4 58.1 24.0 31.2 57.2 24.1 29.4 55.3 37.8 < 28.5 55.3 37.3 29.8 56.1 37.6 24.7 56.4 27.4 24.2 < 55.7 27.8 24.1 57.1 27.3 26.1 57.6 25.2 25.6 57.2 --- > 20.1 37.3 56.2 27.2 37.7 55.4 27.1 38.0 56.9 27.3 > 42.0 55.9 28.0 42.6 55.2 28.2 41.2 55.7 28.5 33.7 > 58.5 25.0 33.3 58.7 25.9 34.6 58.3 25.1 38.7 51.2 > 31.8 37.9 51.7 32.0 38.7 50.5 32.4 33.9 53.8 21.3 > 33.6 54.6 21.7 34.4 54.0 20.6 40.1 54.1 29.2 39.3 > 53.9 28.7 39.7 54.5 30.0 33.1 56.5 21.5 32.6 56.7 > 22.3 32.4 56.4 20.8 32.2 56.2 37.5 31.8 55.9 38.3 > 33.1 56.2 37.5 41.1 52.0 30.6 40.7 52.7 30.0 40.4 > 51.7 31.1 38.3 57.5 22.1 39.0 57.5 21.5 37.5 57.7 > 21.6 32.5 56.6 32.4 33.4 56.7 32.7 32.0 56.4 33.2 > 35.8 54.9 34.3 35.8 55.6 33.7 36.2 55.1 35.1 35.0 > 53.5 30.6 34.2 53.7 31.0 35.2 54.2 30.0 31.7 57.6 > 23.4 32.4 58.1 23.9 31.2 57.2 24.1 29.4 55.3 37.8 > 28.5 55.3 37.3 29.8 56.2 37.6 24.7 56.4 27.4 24.2 > 55.7 27.8 24.1 57.1 27.2 26.1 57.6 25.2 25.6 57.2 6200,6202c6200,6202 < 31.3 49.8 40.4 32.5 52.9 36.8 33.2 53.4 37.4 32.8 < 53.0 35.9 35.9 49.4 32.1 35.5 49.9 32.8 36.1 50.0 < 31.4 35.8 56.9 21.2 34.9 57.2 21.3 36.0 56.4 21.9 --- > 31.4 49.8 40.4 32.5 52.9 36.8 33.2 53.4 37.3 32.8 > 53.0 35.9 35.9 49.4 32.1 35.6 50.0 32.8 36.2 50.0 > 31.5 35.8 56.9 21.2 34.9 57.3 21.3 36.0 56.5 22.0 6204,6212c6204,6212 < 50.8 29.8 34.9 50.4 29.4 35.4 51.7 30.0 32.5 51.1 < 28.9 33.2 50.5 28.5 32.4 50.8 29.8 36.5 55.7 23.5 < 36.1 56.2 24.2 37.4 56.1 23.3 30.0 53.7 26.7 30.5 < 53.1 26.1 30.4 53.8 27.5 39.0 58.3 27.1 39.0 58.6 < 26.2 39.9 58.3 27.3 30.0 54.5 20.3 29.1 54.5 20.7 < 29.8 54.2 19.4 31.4 49.5 24.6 31.1 49.2 23.8 31.4 < 48.8 25.2 35.2 55.7 28.9 34.5 55.6 28.2 36.0 55.7 < 28.5 36.1 57.6 25.3 36.9 58.1 25.3 36.2 57.0 26.0 < 38.5 53.8 26.8 37.8 53.3 27.3 38.6 53.3 26.0 38.5 --- > 50.8 29.8 34.9 50.4 29.4 35.3 51.7 30.0 32.5 51.1 > 28.9 33.3 50.6 28.5 32.4 50.7 29.8 36.5 55.7 23.5 > 36.1 56.2 24.2 37.3 56.2 23.3 30.0 53.7 26.7 30.6 > 53.2 26.2 30.3 53.9 27.6 39.0 58.3 27.1 39.0 58.6 > 26.2 39.9 58.3 27.3 30.0 54.5 20.3 29.1 54.4 20.7 > 29.9 54.2 19.4 31.4 49.5 24.6 31.1 49.2 23.8 31.4 > 48.8 25.2 35.2 55.7 28.9 34.5 55.7 28.2 36.0 55.7 > 28.5 36.1 57.6 25.2 36.9 58.1 25.4 36.1 57.0 26.0 > 38.5 53.8 26.8 37.8 53.3 27.4 38.6 53.2 26.1 38.5 6214,6217c6214,6217 < 27.5 32.9 57.0 27.6 32.3 58.3 27.3 30.1 56.0 25.1 < 29.5 56.6 25.5 30.1 55.2 25.6 35.2 57.2 32.9 35.3 < 58.1 32.9 36.0 56.8 32.5 28.8 53.7 29.8 29.7 53.7 < 29.5 28.4 54.4 29.3 27.2 53.8 26.3 27.2 54.5 26.9 --- > 27.5 32.9 57.0 27.6 32.3 58.3 27.2 30.1 56.0 25.1 > 29.5 56.6 25.5 30.1 55.3 25.7 35.2 57.2 32.9 35.4 > 58.1 32.8 36.0 56.8 32.5 28.8 53.7 29.8 29.7 53.7 > 29.5 28.4 54.4 29.3 27.2 53.8 26.3 27.2 54.6 26.8 6219c6219 < 53.5 32.2 33.4 53.5 34.4 32.8 54.2 34.4 34.3 54.0 --- > 53.5 32.2 33.4 53.5 34.5 32.8 54.2 34.4 34.3 54.0 6221,6222c6221,6222 < 31.1 58.4 30.8 31.4 57.6 31.3 30.6 58.9 31.3 29.0 < 54.3 34.8 28.2 54.4 35.3 28.8 54.3 33.9 29.7 53.6 --- > 31.1 58.4 30.8 31.3 57.6 31.3 30.5 58.9 31.3 29.0 > 54.3 34.8 28.1 54.3 35.2 28.8 54.3 33.9 29.7 53.6 6224c6224 < 25.4 53.7 30.8 24.5 53.7 32.0 36.2 52.4 27.1 36.3 --- > 25.4 53.6 30.8 24.5 53.6 32.0 36.2 52.4 27.1 36.3 6227c6227 < 41.9 57.6 27.4 38.2 50.7 29.3 37.2 50.7 29.3 38.5 --- > 41.9 57.7 27.4 38.2 50.7 29.3 37.2 50.7 29.3 38.5 6229,6230c6229,6230 < 31.9 34.7 56.8 37.9 35.3 57.5 37.7 35.3 56.0 37.7 < 26.7 51.2 33.5 27.1 52.1 33.3 26.9 50.7 32.7 27.0 --- > 31.9 34.7 56.8 37.9 35.3 57.5 37.7 35.3 56.0 37.8 > 26.7 51.2 33.5 27.1 52.1 33.3 26.8 50.7 32.7 27.0 6232c6232 < 28.4 26.5 56.1 28.2 27.9 56.2 28.7 30.4 52.0 35.2 --- > 28.4 26.5 56.1 28.2 27.9 56.2 28.6 30.4 52.0 35.2 6234,6241c6234,6241 < 54.2 23.8 26.7 54.7 24.8 29.3 53.6 23.6 28.7 53.7 < 22.9 29.8 54.5 23.7 30.7 52.3 32.6 30.7 52.2 33.5 < 29.8 52.8 32.4 32.5 50.4 31.6 33.2 50.5 32.2 31.9 < 51.1 31.9 31.4 52.4 21.2 32.2 52.8 21.3 30.8 53.1 < 20.8 35.5 53.3 23.5 35.9 54.1 23.4 34.8 53.2 22.9 < 29.0 57.6 29.1 29.7 57.9 29.6 28.8 58.3 28.6 31.4 < 53.4 28.8 31.8 52.6 28.6 31.9 53.7 29.6 32.4 54.1 < 31.2 32.3 55.0 31.5 31.7 53.6 31.7 31.5 52.2 24.9 --- > 54.2 23.8 26.7 54.7 24.8 29.3 53.6 23.7 28.7 53.6 > 22.9 29.7 54.5 23.7 30.7 52.3 32.6 30.7 52.2 33.5 > 29.9 52.8 32.4 32.5 50.4 31.6 33.2 50.5 32.3 31.9 > 51.1 31.9 31.4 52.4 21.2 32.2 52.9 21.3 30.8 53.1 > 20.8 35.5 53.3 23.5 35.9 54.1 23.4 34.8 53.3 22.9 > 29.0 57.6 29.1 29.7 57.9 29.6 28.8 58.3 28.5 31.4 > 53.4 28.8 31.8 52.6 28.6 31.9 53.7 29.6 32.4 54.0 > 31.2 32.3 55.0 31.5 31.7 53.6 31.6 31.5 52.2 24.9 6243,6245c6243,6245 < 49.1 27.1 34.9 48.6 28.3 30.5 53.1 38.6 29.9 53.7 < 38.3 31.1 52.9 37.9 39.0 56.3 37.6 39.8 56.0 37.1 < 39.4 56.5 38.4 31.6 55.5 34.8 30.7 55.3 34.8 31.8 --- > 49.1 27.1 34.9 48.6 28.3 30.5 53.1 38.6 29.8 53.6 > 38.3 31.1 53.0 37.9 39.0 56.3 37.6 39.8 56.0 37.1 > 39.4 56.4 38.5 31.7 55.5 34.8 30.7 55.4 34.7 31.8 6247c6247 < 33.7 27.7 54.4 21.7 26.9 54.1 21.2 27.3 54.8 22.5 --- > 33.6 27.7 54.4 21.7 26.9 54.1 21.3 27.3 54.8 22.5 6250c6250 < 32.7 36.3 53.1 31.8 36.4 53.5 33.3 34.3 55.9 17.5 --- > 32.7 36.3 53.0 31.8 36.4 53.5 33.3 34.3 55.9 17.5 6253,6258c6253,6258 < 28.6 40.7 49.6 27.7 31.5 55.7 17.4 30.9 55.1 17.8 < 31.7 55.4 16.5 33.9 49.4 23.3 33.1 49.3 23.8 34.6 < 49.2 23.9 35.3 48.5 25.4 35.9 49.0 26.0 35.8 47.6 < 25.4 31.3 55.5 39.9 30.4 55.7 40.2 31.2 54.6 39.6 < 31.4 51.6 17.0 32.3 51.9 16.8 31.4 50.6 16.9 39.3 < 50.3 24.8 38.9 51.2 24.7 38.9 49.9 24.0 37.3 49.9 --- > 28.6 40.7 49.6 27.7 31.5 55.7 17.4 31.0 55.1 17.8 > 31.8 55.4 16.6 33.9 49.4 23.3 33.1 49.3 23.9 34.6 > 49.2 23.8 35.3 48.5 25.4 36.0 49.0 26.0 35.8 47.6 > 25.3 31.3 55.5 39.9 30.4 55.7 40.2 31.2 54.6 39.6 > 31.4 51.6 17.0 32.2 51.9 16.8 31.4 50.6 16.9 39.3 > 50.3 24.8 38.8 51.2 24.7 38.9 49.8 24.1 37.3 49.9 6261,6264c6261,6264 < 53.5 26.6 40.6 53.7 26.6 43.5 53.7 27.5 44.3 53.6 < 26.9 43.7 53.1 28.3 38.6 58.9 24.5 38.8 59.7 24.1 < 38.7 58.3 23.8 41.7 52.6 23.6 41.5 52.9 24.5 41.1 < 53.1 23.1 31.3 50.1 19.9 31.4 51.0 20.2 32.0 49.6 --- > 53.3 26.6 40.6 53.7 26.7 43.5 53.7 27.5 44.3 53.6 > 26.9 43.7 53.1 28.2 38.6 58.9 24.5 38.8 59.7 24.1 > 38.7 58.2 23.8 41.7 52.6 23.6 41.6 52.9 24.5 41.1 > 53.2 23.1 31.3 50.1 19.9 31.5 51.0 20.2 32.0 49.5 6267,6274c6267,6274 < 4.7 16.9 15.6 4.4 16.5 14.8 5.7 16.8 12.0 4.7 < 17.0 12.1 4.4 16.1 12.9 4.8 17.3 13.1 7.4 23.2 < 13.7 7.2 22.5 13.4 6.9 23.9 9.5 8.9 21.8 9.2 < 9.7 21.4 9.6 9.1 22.7 10.7 5.7 19.1 11.0 5.2 < 18.4 11.2 5.3 19.9 20.6 3.3 14.8 21.2 2.6 14.6 < 19.8 2.8 15.2 13.8 8.3 19.3 14.2 9.2 19.1 12.9 < 8.5 19.5 18.4 2.2 16.1 17.9 2.7 15.5 18.0 2.3 < 17.0 10.2 15.7 12.1 10.4 16.6 11.8 9.3 15.7 12.2 --- > 4.7 16.9 15.6 4.5 16.6 14.8 5.7 16.8 12.0 4.7 > 17.0 12.1 4.4 16.1 12.9 4.8 17.4 13.1 7.4 23.2 > 13.7 7.3 22.5 13.4 6.9 23.9 9.5 8.9 21.8 9.1 > 9.6 21.4 9.5 9.1 22.8 10.7 5.7 19.1 11.0 5.2 > 18.4 11.1 5.3 19.9 20.6 3.3 14.8 21.2 2.6 14.6 > 19.8 2.8 15.1 13.8 8.3 19.3 14.2 9.2 19.1 12.9 > 8.5 19.6 18.4 2.2 16.1 17.9 2.7 15.5 18.0 2.4 > 16.9 10.2 15.7 12.1 10.4 16.6 11.8 9.3 15.7 12.2 6276,6277c6276,6277 < -0.0 16.9 19.3 0.7 16.5 19.1 -0.4 17.4 10.6 6.4 < 22.7 11.3 7.1 22.8 9.8 6.9 22.5 16.7 7.3 21.8 --- > -0.0 16.9 19.3 0.7 16.5 19.0 -0.4 17.4 10.6 6.4 > 22.7 11.3 7.1 22.9 9.8 6.9 22.5 16.7 7.3 21.8 6279,6282c6279,6282 < 1.6 21.1 13.2 0.8 20.0 15.1 7.5 17.0 14.5 7.9 < 16.4 14.7 7.5 17.9 18.8 8.5 13.4 17.8 8.6 13.5 < 19.1 8.4 14.3 16.5 -0.2 21.0 16.3 0.7 21.0 16.7 < -0.4 21.9 17.7 5.9 19.5 17.7 6.3 18.7 17.1 5.1 --- > 1.6 21.2 13.2 0.8 20.0 15.1 7.5 17.0 14.4 7.8 > 16.4 14.7 7.4 17.9 18.7 8.5 13.4 17.8 8.6 13.4 > 19.0 8.4 14.3 16.5 -0.2 21.0 16.3 0.7 21.0 16.7 > -0.4 21.9 17.7 5.9 19.5 17.7 6.4 18.7 17.1 5.1 6284,6285c6284,6285 < 17.8 9.8 18.2 18.7 9.6 17.8 17.9 9.7 19.1 11.1 < 8.4 19.5 10.6 8.5 20.3 10.9 7.5 19.1 25.8 5.7 --- > 17.8 9.8 18.2 18.6 9.7 17.8 18.0 9.6 19.1 11.1 > 8.4 19.5 10.6 8.5 20.3 10.9 7.6 19.1 25.8 5.7 6287,6290c6287,6290 < 12.8 11.5 23.4 14.0 12.4 23.0 8.8 12.7 18.9 9.3 < 12.4 18.1 7.9 12.8 18.6 15.2 12.2 21.4 14.5 12.5 < 20.9 16.0 12.4 20.9 12.7 9.9 24.0 12.8 9.1 23.5 < 11.8 9.9 24.3 17.8 6.6 16.9 16.9 7.0 16.7 18.4 --- > 12.8 11.5 23.3 14.0 12.4 23.0 8.8 12.7 18.9 9.3 > 12.5 18.1 7.9 12.9 18.6 15.2 12.2 21.4 14.5 12.5 > 20.9 16.0 12.4 20.8 12.7 9.9 24.0 12.8 9.1 23.5 > 11.8 9.9 24.4 17.8 6.6 16.9 16.9 7.0 16.7 18.4 6293c6293 < 16.2 11.8 13.3 16.4 12.3 12.5 17.0 12.0 13.8 11.8 --- > 16.2 11.8 13.3 16.4 12.3 12.5 16.9 11.9 13.9 11.8 6296,6297c6296,6297 < 19.4 7.8 10.5 19.4 7.5 11.9 19.9 8.1 15.9 20.1 < 8.5 16.8 20.7 8.0 15.4 14.0 11.0 18.5 13.9 11.9 --- > 19.5 7.8 10.5 19.4 7.5 11.9 19.9 8.1 15.9 20.1 > 8.5 16.7 20.7 8.1 15.4 14.0 11.0 18.5 14.0 11.9 6299c6299 < 20.8 8.6 19.1 17.0 8.1 24.3 16.9 7.5 23.6 16.9 --- > 20.8 8.6 19.1 17.0 8.1 24.3 17.0 7.5 23.6 16.9 6306,6308c6306,6308 < 18.2 16.8 6.3 17.8 16.3 18.2 9.4 20.9 17.6 8.9 < 21.4 19.0 8.9 20.9 11.6 14.4 18.1 11.5 15.3 18.3 < 11.1 14.3 17.3 12.2 14.0 12.4 11.4 14.6 12.2 12.7 --- > 18.2 16.8 6.3 17.7 16.3 18.2 9.4 20.9 17.6 8.9 > 21.5 19.0 8.9 20.9 11.6 14.4 18.1 11.5 15.3 18.3 > 11.1 14.2 17.3 12.2 14.0 12.4 11.4 14.6 12.2 12.6 6313c6313 < 14.1 14.2 14.5 14.3 14.5 15.9 13.8 13.8 13.9 10.2 --- > 14.1 14.3 14.5 14.3 14.5 15.9 13.8 13.8 13.9 10.2 6315,6316c6315,6316 < 5.6 25.6 14.3 5.2 25.8 5.0 10.5 18.4 5.5 9.7 < 18.6 4.4 10.5 19.2 7.6 15.7 12.9 6.9 16.3 13.0 --- > 5.7 25.6 14.2 5.2 25.8 5.0 10.5 18.4 5.5 9.7 > 18.6 4.4 10.6 19.2 7.6 15.7 12.9 6.9 16.3 13.1 6318c6318 < 17.2 18.5 16.3 10.8 23.5 17.2 11.0 23.4 15.9 11.1 --- > 17.2 18.5 16.3 10.8 23.5 17.2 10.9 23.4 15.9 11.1 6320c6320 < 16.3 11.5 17.1 15.5 11.2 17.5 16.9 10.9 17.4 14.6 --- > 16.3 11.5 17.1 15.5 11.2 17.6 17.0 10.9 17.4 14.6 6322c6322 < 15.1 19.0 12.1 15.5 17.5 12.0 15.7 16.3 12.9 10.8 --- > 15.1 19.0 12.1 15.5 17.5 11.9 15.6 16.3 12.9 10.8 6324c6324 < 5.8 12.0 21.5 6.9 11.6 18.5 9.0 9.5 18.9 9.7 --- > 5.8 11.9 21.5 6.9 11.6 18.5 9.0 9.5 18.9 9.7 6326,6327c6326,6327 < 11.7 13.3 20.7 11.8 16.7 15.2 11.2 16.0 15.4 12.6 < 16.3 14.9 9.8 11.6 16.4 9.1 11.4 15.8 10.5 12.0 --- > 11.7 13.3 20.7 11.8 16.7 15.2 11.2 16.0 15.3 12.6 > 16.3 14.8 9.8 11.6 16.4 9.1 11.5 15.7 10.5 12.0 6329,6335c6329,6335 < 20.5 8.1 21.3 20.8 8.0 22.2 20.6 7.3 20.9 17.5 < 2.8 23.2 18.4 3.0 22.8 17.5 3.4 24.0 22.6 9.8 < 22.6 22.1 9.9 23.5 21.9 9.4 22.0 22.2 7.3 14.8 < 22.9 7.8 15.0 22.3 7.0 13.9 20.1 5.7 20.5 20.5 < 5.1 19.7 19.2 5.8 20.2 17.5 1.8 18.5 18.1 1.7 < 19.2 17.1 0.9 18.3 17.6 -0.9 18.5 17.1 -1.7 18.2 < 17.2 -0.6 19.3 21.2 4.0 18.6 21.3 3.1 18.5 21.2 --- > 20.5 8.1 21.3 20.9 8.0 22.2 20.7 7.3 20.8 17.5 > 2.8 23.2 18.4 3.0 22.8 17.5 3.4 23.9 22.6 9.8 > 22.6 22.2 9.9 23.5 21.9 9.4 22.1 22.2 7.3 14.8 > 22.9 7.9 15.0 22.3 7.0 13.9 20.1 5.7 20.5 20.5 > 5.2 19.7 19.2 5.9 20.2 17.5 1.8 18.5 18.1 1.7 > 19.2 17.1 1.0 18.4 17.6 -0.9 18.5 17.1 -1.7 18.2 > 17.2 -0.6 19.3 21.2 4.0 18.6 21.2 3.1 18.5 21.2 6337c6337 < 18.7 26.0 6.2 16.0 26.9 6.0 16.2 25.5 5.6 16.5 --- > 18.8 26.0 6.2 16.0 26.9 6.0 16.2 25.5 5.5 16.5 6339,6348c6339,6348 < 7.9 27.0 14.4 8.2 27.1 13.6 7.3 26.3 4.5 4.4 < 20.2 4.8 5.1 20.7 5.2 4.2 19.6 10.8 5.4 25.2 < 10.5 6.2 25.7 10.8 5.7 24.3 6.5 8.4 19.2 7.1 < 7.6 19.1 6.4 8.5 20.2 7.1 7.5 21.8 7.8 8.1 < 21.9 7.4 6.9 21.1 22.7 1.6 14.0 23.6 1.3 14.2 < 22.1 0.8 14.0 5.3 14.1 16.4 4.8 13.3 16.2 4.8 < 14.8 16.1 23.4 4.3 13.7 23.3 4.5 14.6 22.9 3.5 < 13.5 7.6 15.1 15.6 7.6 16.1 15.6 6.8 14.9 15.9 < 16.1 8.7 26.8 16.6 8.3 26.1 15.6 9.4 26.5 8.7 < 15.5 19.3 9.4 15.9 18.8 8.8 14.6 19.2 10.3 14.8 --- > 7.9 27.0 14.4 8.3 27.0 13.5 7.3 26.2 4.5 4.4 > 20.2 4.9 5.1 20.7 5.2 4.2 19.5 10.8 5.4 25.2 > 10.6 6.2 25.7 10.8 5.7 24.3 6.5 8.4 19.2 7.1 > 7.6 19.1 6.4 8.5 20.2 7.1 7.5 21.8 7.7 8.1 > 21.9 7.4 6.9 21.1 22.7 1.6 14.0 23.5 1.3 14.2 > 22.1 0.9 13.9 5.3 14.1 16.4 4.7 13.4 16.3 4.8 > 14.9 16.1 23.5 4.3 13.7 23.3 4.5 14.6 22.9 3.6 > 13.5 7.6 15.1 15.6 7.7 16.1 15.5 6.7 15.0 16.0 > 16.1 8.7 26.8 16.6 8.3 26.1 15.5 9.3 26.4 8.7 > 15.5 19.3 9.4 15.9 18.8 8.8 14.6 19.1 10.3 14.8 6350c6350 < 27.9 21.4 16.7 26.7 22.1 17.4 21.6 21.0 15.5 21.1 --- > 27.9 21.4 16.8 26.8 22.1 17.5 21.6 21.0 15.5 21.1 6352,6364c6352,6364 < 11.8 18.5 21.9 13.2 23.1 23.0 23.2 23.8 22.9 22.5 < 23.5 22.4 23.8 15.6 25.1 15.8 16.3 24.5 15.9 15.3 < 25.3 16.6 24.2 25.6 8.6 23.7 26.2 8.0 25.1 25.9 < 8.7 18.6 23.2 8.0 19.2 22.5 7.8 19.1 23.8 8.5 < 19.5 24.1 21.6 19.6 24.9 21.1 19.7 24.3 22.5 20.0 < 22.0 17.3 20.6 21.8 16.7 20.0 21.3 18.0 19.3 19.2 < 6.1 19.0 19.3 5.2 18.4 19.1 6.5 25.9 18.6 14.4 < 26.1 17.6 14.2 26.8 19.0 14.3 24.9 23.1 8.7 24.2 < 22.4 8.6 24.6 23.9 8.4 31.3 18.9 15.0 31.8 18.0 < 15.0 30.4 18.7 15.3 20.1 21.0 8.1 20.5 20.3 8.7 < 20.0 20.5 7.2 22.0 20.2 11.5 21.6 19.7 12.3 22.9 < 19.8 11.6 27.7 12.2 19.0 26.9 12.6 19.0 27.5 11.3 < 19.5 22.2 15.3 8.4 21.9 15.9 7.7 22.9 14.8 7.9 --- > 11.8 18.5 21.9 13.2 23.1 23.0 23.2 23.7 23.0 22.4 > 23.5 22.4 23.8 15.6 25.1 15.8 16.3 24.5 15.8 15.3 > 25.2 16.6 24.2 25.6 8.6 23.7 26.2 8.0 25.1 25.9 > 8.7 18.6 23.2 8.0 19.2 22.5 7.8 19.1 23.8 8.6 > 19.5 24.1 21.6 19.8 24.9 21.1 19.7 24.3 22.5 20.0 > 22.0 17.3 20.6 21.8 16.6 19.9 21.2 17.9 19.3 19.2 > 6.1 19.0 19.3 5.2 18.4 19.1 6.6 25.9 18.6 14.4 > 26.1 17.7 14.1 26.8 19.0 14.2 24.9 23.1 8.7 24.2 > 22.4 8.5 24.6 23.9 8.4 31.3 18.9 15.0 31.8 18.0 > 15.0 30.4 18.6 15.4 20.1 21.0 8.1 20.6 20.3 8.6 > 20.0 20.5 7.2 22.0 20.2 11.6 21.6 19.7 12.2 22.9 > 19.8 11.6 27.7 12.2 19.1 26.9 12.6 18.8 27.5 11.3 > 19.4 22.2 15.3 8.4 21.9 15.9 7.7 22.9 14.8 8.0 6368,6374c6368,6374 < 20.8 17.8 8.2 20.2 18.0 6.9 15.6 21.0 16.0 15.6 < 21.3 16.9 15.0 21.7 15.5 21.1 29.7 11.6 21.5 30.1 < 12.3 20.3 29.4 12.1 22.3 18.5 24.2 21.8 19.3 24.3 < 22.9 18.6 25.0 30.5 14.8 17.4 29.7 15.0 17.0 30.4 < 14.0 18.0 27.1 18.6 9.2 28.0 18.7 9.1 26.8 18.1 < 8.5 21.0 21.8 21.9 21.7 22.3 22.2 20.2 22.4 21.8 < 27.5 22.9 22.1 27.8 22.2 21.5 26.6 23.0 22.0 22.1 --- > 20.8 17.7 8.2 20.1 17.9 6.9 15.6 21.0 16.0 15.6 > 21.3 16.9 15.0 21.7 15.5 21.1 29.7 11.6 21.6 30.1 > 12.4 20.3 29.4 12.1 22.3 18.5 24.2 21.8 19.3 24.2 > 22.9 18.6 25.0 30.5 14.8 17.4 29.7 15.0 17.1 30.4 > 14.0 18.0 27.1 18.6 9.2 28.0 18.7 9.0 26.7 18.1 > 8.5 21.0 21.8 21.9 21.7 22.4 22.2 20.2 22.3 21.8 > 27.5 22.9 22.2 27.8 22.2 21.5 26.6 23.0 22.0 22.1 6376,6381c6376,6381 < 17.3 25.0 23.8 16.7 25.2 23.6 18.2 30.3 24.4 13.0 < 29.3 24.6 13.0 30.6 24.4 13.9 25.0 15.6 21.4 24.7 < 16.5 21.3 25.6 15.7 22.2 28.0 21.2 20.1 28.0 21.6 < 19.3 27.5 20.4 20.0 24.2 14.3 17.3 23.4 14.7 17.7 < 24.1 14.4 16.4 22.2 23.4 14.4 22.7 23.0 13.7 21.9 < 22.7 15.0 18.0 23.5 16.2 18.6 24.1 15.7 18.7 23.0 --- > 17.3 25.0 23.8 16.7 25.2 23.6 18.2 30.2 24.4 13.0 > 29.4 24.7 13.0 30.6 24.4 13.9 25.0 15.6 21.4 24.7 > 16.5 21.4 25.6 15.6 22.2 28.0 21.2 20.1 28.0 21.6 > 19.3 27.5 20.4 20.0 24.2 14.3 17.3 23.4 14.7 17.8 > 24.0 14.4 16.4 22.2 23.4 14.4 22.7 23.0 13.7 21.9 > 22.7 15.0 18.0 23.5 16.2 18.6 24.1 15.7 18.7 22.9 6383,6384c6383,6384 < 19.3 18.7 25.6 19.9 19.4 25.2 18.5 18.7 25.0 14.8 < 18.5 15.9 14.4 18.5 15.0 15.0 19.4 16.1 28.9 25.3 --- > 19.3 18.7 25.6 19.9 19.4 25.2 18.5 18.8 25.1 14.8 > 18.5 15.9 14.4 18.5 15.0 15.1 19.4 16.1 28.9 25.3 6386,6392c6386,6392 < 16.6 19.2 12.5 17.2 19.0 11.2 21.8 24.8 20.0 22.1 < 25.2 20.8 21.1 24.2 20.2 13.6 17.8 18.4 13.6 18.7 < 18.7 14.1 17.9 17.6 37.0 21.2 13.5 36.7 20.4 13.2 < 36.8 21.2 14.5 22.2 25.1 10.4 22.4 25.9 11.0 22.9 < 25.2 9.8 19.5 11.7 26.6 19.3 11.0 27.2 20.3 12.1 < 26.9 15.8 23.2 11.1 16.1 24.1 11.3 16.6 22.7 11.0 < 17.9 26.4 12.7 18.1 27.3 12.7 18.6 26.0 13.3 22.6 --- > 16.6 19.2 12.6 17.2 19.0 11.2 21.8 24.8 20.0 22.1 > 25.2 20.8 21.1 24.3 20.3 13.6 17.8 18.4 13.6 18.7 > 18.8 14.2 17.9 17.6 37.0 21.2 13.5 36.7 20.4 13.2 > 36.8 21.2 14.5 22.2 25.1 10.4 22.4 25.8 11.0 22.9 > 25.2 9.8 19.5 11.7 26.6 19.4 11.0 27.2 20.3 12.1 > 26.8 15.8 23.2 11.1 16.1 24.1 11.3 16.6 22.7 11.1 > 17.9 26.4 12.7 18.1 27.3 12.6 18.6 26.1 13.4 22.6 6394c6394 < 21.7 16.9 18.1 21.3 15.9 19.1 21.7 24.3 26.9 24.2 --- > 21.7 16.9 18.1 21.3 15.9 19.2 21.7 24.3 26.9 24.2 6396,6402c6396,6402 < 27.6 17.3 17.6 28.2 17.9 26.8 27.1 22.9 26.4 27.5 < 22.1 27.7 27.1 22.8 22.3 25.5 22.8 22.7 24.7 22.9 < 21.5 25.5 23.2 25.1 10.1 19.4 24.4 10.6 19.8 25.1 < 10.4 18.5 13.8 22.3 12.4 14.4 22.8 12.0 14.0 21.3 < 12.2 23.9 19.4 7.8 23.5 20.2 8.0 24.0 18.9 8.6 < 22.2 14.6 12.9 21.5 14.1 12.5 22.7 14.9 12.1 24.5 < 11.6 17.2 23.8 11.3 16.6 24.4 12.5 17.3 20.7 12.2 --- > 27.6 17.2 17.6 28.2 18.0 26.8 27.1 22.9 26.4 27.5 > 22.2 27.7 27.2 22.7 22.3 25.5 22.8 22.7 24.7 22.8 > 21.4 25.4 23.1 25.1 10.1 19.4 24.4 10.7 19.8 25.2 > 10.4 18.5 13.8 22.3 12.4 14.4 22.8 12.0 14.0 21.4 > 12.2 23.9 19.4 7.8 23.5 20.2 8.0 24.1 18.9 8.6 > 22.2 14.6 12.9 21.5 14.1 12.5 22.7 14.9 12.2 24.5 > 11.6 17.2 23.8 11.4 16.6 24.4 12.5 17.3 20.7 12.2 6404c6404 < 28.7 21.9 9.1 30.2 21.7 9.0 24.5 18.0 10.0 24.5 --- > 28.7 21.9 9.1 30.2 21.8 8.9 24.5 18.0 10.0 24.5 6406,6419c6406,6419 < 11.5 22.6 23.6 11.5 28.7 22.1 15.2 28.2 22.6 14.6 < 29.5 22.7 15.3 18.3 14.4 13.2 19.0 14.2 12.6 18.4 < 13.8 13.9 28.5 19.6 14.5 28.5 20.5 14.8 29.1 19.5 < 13.8 18.7 15.5 7.6 17.9 15.8 7.1 19.4 16.1 7.4 < 19.6 10.4 11.6 19.2 10.0 10.9 19.7 9.8 12.3 23.0 < 22.5 2.6 22.0 22.5 2.5 23.1 21.9 3.3 25.6 29.9 < 6.7 24.8 29.8 7.3 25.6 30.8 6.5 23.5 19.0 15.7 < 23.5 18.2 16.1 24.2 19.0 15.1 24.6 19.6 12.2 25.2 < 20.2 11.8 25.0 19.3 13.0 22.6 21.8 8.3 21.7 21.8 < 8.5 22.7 22.5 7.6 27.7 24.2 13.6 27.0 23.7 13.1 < 27.4 25.1 13.7 26.3 15.8 14.2 25.5 15.3 14.2 26.7 < 15.5 13.4 27.2 26.8 13.7 27.2 27.3 12.8 28.0 27.1 < 14.1 26.9 9.2 14.1 27.4 8.5 13.7 27.5 9.9 14.2 < 14.7 19.7 12.2 14.7 19.3 11.3 14.1 19.3 12.7 20.4 --- > 11.5 22.6 23.6 11.5 28.7 22.1 15.2 28.2 22.5 14.5 > 29.5 22.7 15.2 18.3 14.4 13.2 19.0 14.2 12.6 18.5 > 13.8 13.9 28.5 19.6 14.5 28.5 20.5 14.7 29.1 19.5 > 13.8 18.7 15.5 7.6 17.9 15.7 7.1 19.4 16.1 7.4 > 19.6 10.4 11.6 19.2 10.0 10.9 19.8 9.8 12.3 23.0 > 22.5 2.6 22.0 22.5 2.4 23.1 21.9 3.3 25.6 29.9 > 6.7 24.9 29.8 7.4 25.6 30.8 6.5 23.5 19.0 15.7 > 23.5 18.2 16.1 24.2 19.0 15.0 24.6 19.6 12.2 25.2 > 20.2 11.8 25.1 19.3 13.0 22.6 21.8 8.3 21.7 21.8 > 8.5 22.8 22.5 7.7 27.7 24.2 13.6 27.1 23.7 13.1 > 27.4 25.1 13.7 26.3 15.8 14.2 25.5 15.3 14.2 26.8 > 15.5 13.4 27.2 26.8 13.7 27.1 27.2 12.8 28.0 27.1 > 14.0 26.9 9.2 14.1 27.4 8.4 13.8 27.5 9.9 14.2 > 14.7 19.7 12.2 14.7 19.3 11.3 14.1 19.3 12.7 20.5 6421,6428c6421,6428 < 5.8 23.2 22.2 5.3 23.8 23.5 5.6 19.3 17.0 11.4 < 18.6 17.6 11.7 19.6 16.6 12.2 22.1 27.4 14.4 22.2 < 27.4 13.5 23.0 27.3 14.7 24.8 18.2 20.6 24.9 18.7 < 21.4 25.4 18.6 20.0 31.1 22.2 11.8 30.6 22.2 11.0 < 30.9 22.9 12.3 18.3 15.2 18.1 19.0 15.2 17.5 17.6 < 15.6 17.6 31.0 23.5 15.5 31.2 24.0 16.3 31.9 23.2 < 15.2 19.7 24.7 14.2 20.6 24.4 14.4 19.4 24.2 13.4 < 24.6 26.9 18.7 24.5 27.5 19.4 23.9 27.0 18.1 16.8 --- > 5.8 23.2 22.2 5.2 23.7 23.6 5.6 19.3 17.0 11.4 > 18.6 17.6 11.7 19.5 16.5 12.2 22.1 27.4 14.4 22.2 > 27.4 13.5 23.0 27.3 14.8 24.8 18.2 20.6 24.9 18.7 > 21.4 25.3 18.7 20.0 31.1 22.2 11.8 30.5 22.2 11.0 > 30.9 22.9 12.4 18.3 15.2 18.1 19.0 15.2 17.5 17.6 > 15.5 17.6 31.0 23.5 15.5 31.2 24.1 16.2 31.9 23.2 > 15.2 19.7 24.7 14.2 20.6 24.4 14.3 19.4 24.2 13.4 > 24.6 26.9 18.7 24.5 27.5 19.4 23.9 27.1 18.1 16.8 6430,6431c6430,6431 < 13.2 16.6 17.0 12.9 16.9 15.6 13.3 17.1 16.3 20.6 < 17.6 16.1 19.8 16.2 16.2 20.3 31.6 24.5 17.9 32.0 --- > 13.2 16.6 17.0 12.9 16.9 15.6 13.4 17.1 16.3 20.6 > 17.5 16.1 19.8 16.2 16.2 20.3 31.6 24.5 17.9 32.0 6434,6443c6434,6443 < 27.8 24.2 24.9 25.0 22.5 21.2 24.9 23.3 20.7 25.3 < 21.8 20.6 22.2 26.0 17.6 21.9 25.6 18.4 21.4 26.6 < 17.3 23.5 30.0 8.6 24.0 29.5 9.2 23.3 30.8 9.0 < 23.9 25.0 15.8 23.3 25.2 16.5 23.4 24.3 15.3 17.8 < 20.8 20.1 17.6 20.0 20.5 18.7 20.7 19.7 27.2 21.4 < 5.3 26.5 20.7 5.4 26.9 21.9 4.5 20.5 20.2 19.6 < 21.0 19.4 19.6 20.5 20.7 20.4 29.4 26.7 22.7 29.5 < 26.1 22.0 29.8 27.5 22.5 18.9 16.1 22.6 18.4 16.0 < 23.4 18.2 16.4 21.9 18.9 32.1 16.9 18.2 32.8 16.9 < 18.7 31.6 17.7 29.3 24.5 21.0 28.5 24.1 21.3 30.0 --- > 27.8 24.2 24.9 25.0 22.5 21.2 25.0 23.3 20.8 25.3 > 21.8 20.5 22.2 26.0 17.5 21.9 25.6 18.3 21.5 26.6 > 17.4 23.5 30.0 8.6 24.0 29.4 9.2 23.4 30.8 9.0 > 23.9 25.0 15.8 23.3 25.2 16.5 23.5 24.3 15.3 17.8 > 20.8 20.1 17.6 20.0 20.5 18.7 20.7 19.6 27.2 21.4 > 5.3 26.5 20.8 5.4 26.9 21.9 4.5 20.5 20.2 19.6 > 21.0 19.4 19.7 20.4 20.6 20.4 29.4 26.7 22.7 29.6 > 26.1 22.1 29.8 27.5 22.5 18.9 16.1 22.6 18.4 16.0 > 23.4 18.2 16.4 21.9 18.9 32.1 16.9 18.2 32.8 16.8 > 18.6 31.6 17.6 29.3 24.5 21.0 28.5 24.1 21.3 30.0 6445,6446c6445,6446 < 14.1 14.7 15.7 19.5 15.0 15.2 18.7 14.3 16.5 19.2 < 21.6 30.0 18.0 21.9 30.9 18.2 21.5 29.9 17.1 22.7 --- > 14.1 14.7 15.7 19.5 15.0 15.2 18.8 14.3 16.5 19.2 > 21.6 30.0 18.0 21.9 30.9 18.2 21.5 30.0 17.1 22.7 6449,6454c6449,6454 < 33.0 21.3 15.9 32.4 19.9 15.9 23.0 28.8 20.0 23.4 < 29.6 20.4 22.5 29.2 19.2 25.7 23.2 12.0 24.8 23.3 < 12.0 25.9 22.5 11.4 20.5 16.6 13.9 20.1 16.0 14.6 < 21.3 16.1 13.7 30.4 19.7 12.6 30.7 20.5 12.2 30.9 < 19.6 13.4 18.7 26.3 20.4 19.4 26.7 20.8 18.5 26.9 < 19.7 27.0 24.5 9.8 26.9 24.5 10.7 26.3 23.9 9.4 --- > 33.0 21.3 15.9 32.4 19.9 16.0 23.0 28.8 20.0 23.4 > 29.6 20.4 22.6 29.3 19.2 25.7 23.2 12.0 24.8 23.3 > 12.0 25.9 22.5 11.4 20.5 16.6 14.0 20.1 16.0 14.6 > 21.3 16.1 13.7 30.4 19.7 12.6 30.7 20.5 12.1 30.9 > 19.7 13.4 18.7 26.3 20.4 19.4 26.7 20.9 18.5 26.9 > 19.7 27.0 24.5 9.8 26.9 24.4 10.7 26.3 23.9 9.4 6456,6461c6456,6461 < 19.1 18.9 26.8 19.8 18.3 27.3 18.4 18.7 24.5 29.8 < 13.6 24.8 29.0 14.0 25.3 30.2 13.3 25.0 28.8 10.5 < 25.2 28.4 9.7 25.8 28.6 11.1 24.1 19.2 26.2 23.4 < 18.8 26.9 24.9 19.0 26.6 14.5 25.5 18.3 15.3 24.8 < 18.4 14.5 25.9 19.1 18.8 28.9 12.9 18.0 29.1 12.4 < 18.7 29.3 13.7 10.3 18.4 16.6 10.3 18.0 17.5 11.0 --- > 19.0 18.9 26.8 19.8 18.3 27.3 18.5 18.8 24.5 29.8 > 13.6 24.9 29.0 14.0 25.3 30.2 13.3 25.0 28.8 10.5 > 25.2 28.4 9.6 25.8 28.5 11.0 24.1 19.2 26.2 23.4 > 18.8 26.9 24.9 19.0 26.6 14.5 25.5 18.3 15.2 24.8 > 18.3 14.5 25.9 19.1 18.8 28.9 12.9 18.0 29.0 12.4 > 18.7 29.4 13.7 10.3 18.4 16.6 10.3 18.0 17.5 11.0 6464,6465c6464,6465 < 17.3 16.0 24.8 17.6 15.4 25.5 16.3 16.0 24.9 27.8 < 25.8 25.3 27.7 26.5 24.8 27.1 25.8 26.0 14.4 18.2 --- > 17.3 16.0 24.7 17.6 15.5 25.5 16.3 16.0 24.9 27.8 > 25.8 25.3 27.7 26.6 24.8 27.1 25.8 26.0 14.4 18.2 6467c6467 < 24.7 28.7 16.4 25.6 29.9 16.5 16.8 17.0 16.7 16.1 --- > 24.6 28.7 16.4 25.6 29.9 16.4 16.8 17.0 16.7 16.1 6469,6481c6469,6481 < 18.0 27.9 26.6 18.0 20.0 13.7 22.1 20.9 13.8 22.3 < 19.6 14.5 22.5 15.3 15.8 8.9 14.7 15.1 9.1 16.1 < 15.6 9.4 24.9 27.4 15.0 24.6 26.5 15.4 25.8 27.1 < 14.7 17.6 15.3 10.1 18.2 15.3 9.3 18.2 15.6 10.8 < 29.1 27.9 15.4 29.9 27.4 15.6 28.6 27.8 16.2 20.3 < 14.1 19.5 20.1 13.9 20.4 19.5 14.4 19.1 21.4 11.7 < 18.8 22.1 11.6 19.4 20.9 12.5 19.1 20.2 13.6 8.9 < 21.0 14.1 8.7 19.5 14.2 8.5 23.5 15.5 10.7 23.9 < 16.4 10.6 23.1 15.3 9.9 18.7 18.8 16.3 19.3 19.3 < 16.8 18.3 19.5 15.7 20.1 14.8 16.3 20.3 14.0 15.9 < 20.9 15.1 16.7 22.0 15.8 18.1 22.0 16.7 18.5 21.3 < 15.3 18.6 27.6 28.2 11.3 27.9 27.7 10.6 28.1 29.0 < 11.3 13.5 20.5 18.8 13.2 20.9 18.0 14.3 21.0 19.0 --- > 18.0 28.0 26.6 18.0 20.0 13.7 22.1 20.9 13.8 22.3 > 19.6 14.5 22.5 15.3 15.8 8.9 14.7 15.1 9.0 16.1 > 15.6 9.4 24.9 27.4 15.0 24.5 26.6 15.4 25.8 27.1 > 14.7 17.6 15.3 10.1 18.2 15.2 9.4 18.2 15.6 10.8 > 29.1 27.9 15.4 29.8 27.3 15.6 28.6 27.8 16.2 20.3 > 14.1 19.5 20.0 13.9 20.4 19.6 14.4 19.0 21.4 11.7 > 18.8 22.1 11.5 19.4 20.9 12.5 19.1 20.2 13.6 8.9 > 21.0 14.1 8.7 19.5 14.2 8.6 23.5 15.5 10.7 23.9 > 16.4 10.6 23.2 15.2 9.9 18.7 18.8 16.3 19.3 19.3 > 16.8 18.3 19.5 15.7 20.1 14.8 16.3 20.3 14.0 15.8 > 20.9 15.0 16.8 22.0 15.8 18.1 22.0 16.7 18.5 21.3 > 15.4 18.5 27.6 28.2 11.3 27.9 27.7 10.6 28.1 29.0 > 11.3 13.5 20.5 18.8 13.2 21.0 18.0 14.3 21.0 19.0 6484,6487c6484,6487 < 12.0 34.0 21.3 11.2 32.9 22.0 11.9 28.7 27.2 9.0 < 29.3 27.3 8.2 28.8 26.4 9.3 14.3 19.4 21.5 13.7 < 19.4 22.2 13.7 19.8 20.7 30.1 24.9 9.1 30.2 24.6 < 8.2 29.7 24.1 9.5 20.9 27.6 21.3 21.4 27.4 22.1 --- > 12.0 34.0 21.4 11.2 32.9 22.0 12.0 28.7 27.2 9.0 > 29.3 27.2 8.2 28.8 26.4 9.4 14.3 19.4 21.5 13.7 > 19.5 22.2 13.7 19.8 20.8 30.1 24.9 9.1 30.2 24.5 > 8.2 29.7 24.2 9.6 20.9 27.6 21.3 21.4 27.4 22.1 6489c6489 < 30.8 13.7 15.5 26.9 13.7 16.3 26.6 13.4 15.2 26.2 --- > 30.9 13.7 15.5 26.9 13.7 16.3 26.6 13.4 15.2 26.2 6491,6492c6491,6492 < 11.9 26.4 14.4 11.1 25.9 14.6 12.2 26.8 15.2 20.5 < 16.1 26.4 20.2 16.9 26.0 21.2 15.7 25.8 30.6 25.3 --- > 11.9 26.4 14.4 11.1 25.9 14.6 12.2 26.9 15.1 20.5 > 16.1 26.4 20.3 16.9 26.0 21.2 15.7 25.8 30.6 25.3 6494c6494 < 31.2 22.8 23.0 31.0 22.1 21.7 19.7 25.2 9.3 19.7 --- > 31.2 22.8 23.0 31.0 22.2 21.7 19.7 25.2 9.3 19.7 6497,6499c6497,6499 < 21.8 17.5 22.9 33.0 25.0 22.9 32.5 25.3 23.7 32.4 < 24.5 22.4 33.5 22.5 14.7 34.3 23.0 14.7 33.5 22.1 < 13.8 30.4 20.6 21.0 30.8 20.3 20.3 29.5 20.8 20.7 --- > 21.8 17.5 22.9 33.0 25.0 22.9 32.4 25.2 23.7 32.4 > 24.5 22.3 33.5 22.5 14.7 34.3 23.0 14.6 33.4 22.1 > 13.8 30.3 20.6 21.0 30.8 20.2 20.3 29.5 20.8 20.7 6501,6505c6501,6505 < 12.2 20.5 24.3 12.8 20.4 23.1 12.5 21.3 16.4 16.4 < 6.5 16.1 16.0 5.7 15.9 16.1 7.2 24.6 8.4 15.3 < 25.0 7.6 15.5 25.3 8.9 14.9 23.0 27.7 7.2 22.1 < 27.8 6.9 23.2 28.4 7.8 28.5 17.4 18.4 29.4 17.8 < 18.2 28.5 17.1 19.3 25.6 13.7 19.6 25.0 13.9 18.9 --- > 12.2 20.5 24.2 12.8 20.4 23.1 12.5 21.3 16.4 16.5 > 6.5 16.2 16.0 5.7 15.9 16.0 7.2 24.6 8.4 15.3 > 25.0 7.6 15.5 25.3 9.0 14.9 23.0 27.7 7.2 22.1 > 27.9 7.0 23.2 28.4 7.8 28.5 17.4 18.4 29.4 17.8 > 18.2 28.5 17.2 19.3 25.6 13.7 19.6 24.9 13.9 19.0 6508c6508 < 5.9 31.3 20.0 18.6 31.2 19.1 18.5 31.7 20.3 17.8 --- > 5.8 31.3 20.0 18.6 31.2 19.1 18.5 31.7 20.3 17.8 6510,6517c6510,6517 < 17.3 18.0 31.0 16.5 17.6 32.3 17.1 18.3 28.8 11.3 < 14.3 28.3 11.7 15.0 28.9 12.0 13.7 36.9 21.3 16.3 < 37.7 21.1 16.8 36.2 20.9 16.9 35.0 19.9 17.8 34.2 < 20.0 17.4 34.8 20.0 18.7 23.7 21.9 25.5 24.5 22.2 < 26.1 23.7 21.0 25.7 13.0 18.9 13.9 12.6 18.0 14.0 < 12.4 19.5 14.3 15.9 21.9 18.4 16.3 22.8 18.3 16.6 < 21.4 18.9 22.2 10.7 10.5 21.3 10.6 10.9 22.8 10.7 < 11.2 23.8 10.4 12.6 24.5 11.0 12.8 24.2 9.6 12.3 --- > 17.3 18.0 31.0 16.5 17.6 32.3 17.1 18.2 28.8 11.3 > 14.3 28.3 11.7 15.0 28.8 12.0 13.6 36.9 21.3 16.3 > 37.6 21.2 16.9 36.2 21.0 16.9 35.0 19.9 17.8 34.1 > 20.0 17.4 34.8 20.0 18.8 23.7 21.9 25.5 24.5 22.2 > 26.0 23.7 20.9 25.7 13.0 18.9 13.8 12.7 18.0 14.0 > 12.4 19.4 14.4 15.9 21.9 18.4 16.4 22.7 18.3 16.6 > 21.4 18.8 22.2 10.7 10.5 21.3 10.6 10.9 22.8 10.8 > 11.2 23.8 10.4 12.6 24.6 11.0 12.7 24.2 9.6 12.2 6519c6519 < 21.3 16.3 11.8 21.1 15.6 13.0 22.0 16.0 27.0 12.2 --- > 21.3 16.3 11.8 21.2 15.6 13.0 22.0 16.0 27.0 12.2 6521,6522c6521,6522 < 26.2 12.1 13.2 25.9 11.9 14.7 20.6 20.7 24.4 20.1 < 21.5 24.8 20.6 20.9 23.5 14.0 23.0 15.0 13.9 22.9 --- > 26.2 12.1 13.3 25.9 11.9 14.7 20.6 20.7 24.4 20.1 > 21.5 24.8 20.6 21.0 23.5 14.0 23.0 15.0 14.0 22.8 6524,6525c6524,6525 < 16.6 23.7 20.1 17.2 22.8 21.7 18.0 23.2 21.8 17.3 < 22.0 21.2 26.1 14.8 11.5 25.2 15.1 11.3 26.5 14.9 --- > 16.6 23.7 20.1 17.2 22.8 21.7 18.1 23.1 21.9 17.3 > 22.0 21.2 26.1 14.8 11.5 25.2 15.1 11.3 26.5 14.8 6527c6527 < 32.3 16.3 15.2 32.9 16.4 14.4 32.6 15.6 15.7 15.7 --- > 32.3 16.3 15.2 32.9 16.4 14.4 32.6 15.5 15.6 15.7 6529c6529 < 5.6 26.1 24.4 5.9 25.0 25.3 5.4 26.4 20.9 10.7 --- > 5.6 26.1 24.4 5.9 25.0 25.3 5.5 26.4 20.9 10.7 6531c6531 < 16.7 12.3 30.5 18.1 11.8 36.0 19.0 12.4 35.1 19.1 --- > 16.7 12.3 30.5 18.1 11.7 36.0 19.0 12.4 35.1 19.1 6533,6535c6533,6535 < 17.5 29.6 15.5 27.5 24.8 7.0 28.3 24.2 6.9 27.4 < 24.9 7.9 27.3 21.9 8.1 27.4 21.6 7.2 26.4 22.1 < 8.3 11.0 18.2 21.2 11.6 18.4 21.9 10.3 17.7 21.6 --- > 17.5 29.6 15.5 27.5 24.8 7.0 28.3 24.2 7.0 27.4 > 24.9 7.9 27.3 21.9 8.1 27.4 21.6 7.2 26.4 22.0 > 8.3 11.0 18.2 21.2 11.5 18.4 21.9 10.3 17.7 21.6 6537c6537 < 11.1 8.2 19.8 11.9 8.5 20.5 10.7 7.9 19.1 30.4 --- > 11.1 8.2 19.8 11.9 8.6 20.5 10.7 8.0 19.1 30.4 6539,6540c6539,6540 < 20.2 29.6 15.3 21.5 28.8 15.0 24.7 7.9 11.9 23.8 < 7.7 11.8 25.1 7.1 12.2 18.0 14.0 26.4 18.5 13.2 --- > 20.2 29.6 15.3 21.5 28.9 15.0 24.7 7.9 11.9 23.8 > 7.8 11.8 25.1 7.1 12.2 18.0 14.0 26.4 18.5 13.3 6542c6542 < 37.8 37.3 17.2 32.9 35.8 16.7 32.6 35.5 15.9 33.8 --- > 37.9 37.3 17.3 32.9 35.8 16.7 32.5 35.5 15.9 33.8 6545,6553c6545,6553 < 26.6 40.1 16.1 27.4 39.7 16.6 26.0 40.3 16.8 35.2 < 41.9 7.8 34.7 42.6 7.4 36.1 42.2 7.9 29.4 38.5 < 9.0 30.2 38.0 8.8 29.7 39.4 9.1 30.6 39.7 21.7 < 30.3 40.6 21.5 30.8 39.7 22.6 30.5 36.5 17.5 31.3 < 36.3 17.1 30.7 36.2 18.4 30.8 35.0 6.3 31.2 34.3 < 5.8 29.9 35.0 6.1 36.8 33.7 14.4 37.0 32.8 14.1 < 37.7 34.1 14.3 36.3 40.0 9.6 35.6 39.8 10.2 35.9 < 40.6 8.9 42.8 33.6 14.7 43.5 32.9 14.6 42.1 33.0 < 15.0 31.3 36.7 8.5 31.1 36.2 9.3 31.2 36.2 7.8 --- > 26.6 40.1 16.1 27.4 39.7 16.6 25.9 40.2 16.7 35.2 > 41.9 7.8 34.7 42.6 7.4 36.1 42.2 7.9 29.4 38.4 > 9.0 30.3 38.0 8.9 29.7 39.4 9.1 30.6 39.7 21.7 > 30.2 40.6 21.5 30.8 39.7 22.6 30.5 36.5 17.5 31.3 > 36.3 17.0 30.7 36.2 18.4 30.8 35.0 6.3 31.2 34.2 > 5.9 29.9 35.0 6.1 36.8 33.7 14.4 36.9 32.8 14.0 > 37.7 34.1 14.2 36.3 40.0 9.6 35.6 39.8 10.2 35.9 > 40.6 8.9 42.8 33.6 14.7 43.5 33.0 14.6 42.1 33.0 > 15.0 31.3 36.7 8.5 31.0 36.2 9.3 31.2 36.1 7.8 6557,6561c6557,6561 < 36.2 39.7 19.6 34.9 39.2 20.0 29.3 35.2 15.4 28.4 < 35.3 15.6 29.8 35.7 16.1 40.3 32.5 15.7 40.1 33.2 < 15.2 39.9 32.7 16.6 32.7 33.8 8.3 32.2 34.1 9.1 < 32.3 34.4 7.6 26.8 35.8 16.1 26.9 35.9 17.1 26.4 < 36.5 15.8 31.1 45.1 11.5 31.3 46.0 11.7 30.5 44.8 --- > 36.3 39.7 19.7 34.9 39.2 20.0 29.3 35.2 15.5 28.4 > 35.3 15.7 29.8 35.7 16.1 40.3 32.5 15.7 40.2 33.2 > 15.1 39.9 32.8 16.5 32.7 33.8 8.3 32.2 34.1 9.1 > 32.4 34.4 7.6 26.8 35.8 16.1 26.9 35.9 17.1 26.4 > 36.6 15.8 31.1 45.1 11.5 31.3 46.0 11.7 30.5 44.8 6563c6563 < 41.7 30.3 16.9 41.3 31.0 16.4 41.0 29.6 17.0 37.6 --- > 41.7 30.3 16.9 41.3 31.0 16.3 41.0 29.7 17.0 37.6 6567,6569c6567,6569 < 33.4 19.6 32.7 32.7 20.3 37.1 38.7 16.4 36.2 38.8 < 16.0 37.2 39.5 16.8 41.2 39.3 12.8 40.3 39.3 12.9 < 41.6 39.2 13.6 36.1 31.3 21.1 35.7 32.1 20.9 36.4 --- > 33.4 19.6 32.7 32.6 20.3 37.1 38.7 16.4 36.2 38.7 > 15.9 37.2 39.5 16.8 41.2 39.3 12.8 40.3 39.3 12.9 > 41.6 39.1 13.6 36.1 31.3 21.1 35.6 32.1 21.0 36.4 6571,6581c6571,6581 < 20.0 35.3 29.7 17.2 34.5 30.1 17.6 35.3 29.9 16.3 < 32.8 38.4 13.5 33.2 38.8 12.8 32.6 37.5 13.2 29.1 < 38.8 17.0 29.6 39.1 16.3 29.7 38.1 17.4 31.4 34.7 < 10.4 31.7 35.2 11.2 31.0 33.9 10.8 30.4 33.1 25.1 < 30.2 34.0 25.4 29.6 32.8 24.8 25.6 33.2 15.7 24.9 < 33.5 15.1 26.1 34.1 15.8 39.7 40.2 18.2 40.6 39.9 < 18.1 39.6 40.1 19.1 27.6 33.7 12.4 26.7 34.0 12.7 < 27.7 34.1 11.5 33.1 39.5 20.6 33.4 39.7 21.5 32.1 < 39.5 20.7 25.1 32.9 18.4 25.1 33.8 18.8 25.1 33.1 < 17.4 48.5 34.9 13.9 47.7 34.5 13.7 48.4 35.4 14.7 < 33.0 41.3 9.8 33.1 42.0 10.5 33.6 41.6 9.1 26.3 --- > 20.0 35.3 29.7 17.2 34.5 30.0 17.6 35.3 29.9 16.3 > 32.8 38.4 13.5 33.3 38.8 12.8 32.6 37.5 13.1 29.1 > 38.8 17.0 29.6 39.2 16.3 29.7 38.2 17.4 31.4 34.7 > 10.4 31.7 35.2 11.2 31.1 33.9 10.8 30.4 33.1 25.1 > 30.3 34.0 25.4 29.5 32.8 24.8 25.6 33.2 15.7 24.9 > 33.5 15.1 26.1 34.1 15.8 39.7 40.2 18.2 40.7 40.0 > 18.1 39.6 40.1 19.1 27.6 33.7 12.4 26.7 34.0 12.6 > 27.7 34.0 11.5 33.1 39.5 20.6 33.4 39.7 21.5 32.1 > 39.5 20.7 25.1 32.9 18.4 25.2 33.8 18.8 25.1 33.1 > 17.4 48.5 34.9 13.9 47.7 34.5 13.7 48.3 35.4 14.7 > 33.0 41.3 9.8 33.1 41.9 10.5 33.6 41.6 9.1 26.3 6583,6609c6583,6609 < 12.8 28.9 42.6 12.9 29.3 41.2 13.1 32.9 29.6 24.0 < 33.6 30.0 24.5 33.2 29.5 23.1 27.1 34.0 21.3 27.6 < 33.2 21.0 26.2 33.8 21.4 34.5 42.0 23.8 34.3 41.1 < 23.7 35.2 42.1 23.2 30.1 44.4 19.9 30.8 44.3 19.2 < 29.3 44.4 19.4 36.1 42.4 21.7 35.5 42.7 21.0 37.0 < 42.7 21.3 33.6 39.5 23.3 34.0 38.7 23.3 32.8 39.4 < 23.8 36.0 25.5 19.2 35.3 26.0 19.7 35.9 25.9 18.3 < 24.4 37.4 12.6 25.1 37.9 12.2 24.7 36.5 12.6 35.2 < 35.0 8.3 35.0 35.8 8.8 34.4 34.5 8.2 33.2 30.0 < 12.8 32.6 29.3 12.5 33.6 30.3 11.9 35.8 27.0 17.0 < 35.2 26.7 16.3 35.4 27.8 17.3 31.7 27.4 16.1 32.2 < 26.8 15.6 32.0 27.4 17.0 40.5 37.6 9.1 39.6 37.6 < 9.5 40.3 37.0 8.3 35.5 33.0 11.0 35.2 33.7 11.6 < 36.2 33.4 10.5 34.1 39.1 11.0 34.1 38.4 10.4 33.6 < 39.8 10.6 39.7 37.2 15.0 39.1 37.9 14.7 40.5 37.7 < 15.2 29.3 29.7 13.3 30.1 29.5 12.9 29.2 29.1 14.0 < 39.4 34.6 14.3 39.6 35.5 14.6 39.9 34.4 13.5 29.7 < 31.4 7.8 29.0 32.0 7.6 30.1 31.1 6.9 31.3 26.1 < 11.1 30.9 25.7 10.3 30.9 25.7 11.8 34.7 37.2 5.3 < 33.8 37.4 5.2 34.8 36.3 5.1 35.4 34.5 16.5 36.1 < 34.4 17.2 35.8 34.1 15.7 35.2 35.1 12.7 36.0 35.4 < 12.2 35.5 34.7 13.4 33.8 37.4 9.0 32.9 37.6 8.9 < 34.2 38.0 8.3 38.6 39.5 13.4 37.8 39.1 13.2 38.4 < 40.4 13.7 37.4 31.2 13.4 36.6 30.9 13.8 37.2 30.9 < 12.5 37.8 42.1 13.7 37.6 42.5 12.9 38.5 42.6 14.1 < 38.4 24.2 14.6 38.9 23.6 14.1 39.0 25.0 14.6 25.1 < 34.7 12.5 24.8 34.4 11.7 24.5 34.2 13.2 31.8 34.5 --- > 12.8 28.9 42.6 12.9 29.4 41.2 13.1 32.9 29.6 24.0 > 33.6 30.0 24.4 33.1 29.5 23.1 27.1 34.0 21.3 27.6 > 33.2 21.1 26.2 33.8 21.4 34.5 42.0 23.8 34.2 41.1 > 23.7 35.3 42.1 23.2 30.1 44.4 19.9 30.7 44.3 19.2 > 29.2 44.4 19.5 36.1 42.4 21.7 35.5 42.7 21.0 37.0 > 42.7 21.3 33.6 39.5 23.3 34.0 38.7 23.2 32.7 39.4 > 23.7 36.0 25.5 19.2 35.3 26.0 19.7 35.9 25.9 18.3 > 24.4 37.4 12.6 25.2 37.8 12.2 24.7 36.5 12.6 35.2 > 35.0 8.3 34.9 35.8 8.8 34.4 34.5 8.1 33.2 30.0 > 12.8 32.7 29.3 12.5 33.6 30.3 11.9 35.8 27.0 17.0 > 35.3 26.7 16.3 35.4 27.8 17.3 31.7 27.4 16.1 32.2 > 26.7 15.7 32.0 27.4 17.0 40.5 37.6 9.1 39.6 37.6 > 9.5 40.3 37.0 8.3 35.5 33.0 11.0 35.3 33.7 11.6 > 36.2 33.4 10.5 34.1 39.1 11.0 34.2 38.4 10.4 33.6 > 39.8 10.6 39.7 37.2 15.0 39.1 37.8 14.6 40.5 37.7 > 15.2 29.3 29.7 13.3 30.1 29.5 12.9 29.2 29.0 13.9 > 39.4 34.6 14.4 39.7 35.5 14.5 39.9 34.4 13.5 29.7 > 31.4 7.8 29.0 32.0 7.5 30.1 31.1 6.9 31.3 26.1 > 11.1 30.9 25.7 10.3 30.9 25.8 11.9 34.7 37.2 5.3 > 33.8 37.3 5.2 34.9 36.3 5.1 35.4 34.5 16.5 36.1 > 34.5 17.2 35.8 34.1 15.7 35.2 35.2 12.7 36.0 35.3 > 12.1 35.5 34.6 13.4 33.8 37.4 9.0 32.9 37.7 8.9 > 34.3 38.0 8.4 38.6 39.5 13.4 37.8 39.0 13.2 38.3 > 40.3 13.7 37.4 31.2 13.4 36.6 30.9 13.8 37.2 31.0 > 12.5 37.8 42.1 13.7 37.6 42.5 12.9 38.4 42.7 14.1 > 38.4 24.2 14.6 38.9 23.6 14.1 38.9 25.0 14.5 25.1 > 34.7 12.5 24.7 34.5 11.7 24.6 34.2 13.2 31.8 34.5 6611,6614c6611,6614 < 34.8 39.0 6.4 34.6 40.2 7.3 30.2 32.7 11.9 29.3 < 33.0 12.2 30.6 32.4 12.7 32.6 42.6 14.2 32.5 42.9 < 13.3 33.5 42.3 14.3 35.4 33.8 20.0 35.1 34.6 20.3 < 36.1 33.9 19.4 41.9 36.9 11.4 41.4 37.1 10.6 41.9 --- > 34.8 39.0 6.5 34.6 40.2 7.3 30.2 32.7 11.9 29.3 > 32.9 12.2 30.6 32.4 12.6 32.6 42.6 14.2 32.5 42.9 > 13.3 33.5 42.3 14.2 35.4 33.8 20.0 35.1 34.6 20.2 > 36.0 33.9 19.3 41.9 36.9 11.4 41.4 37.1 10.6 41.9 6616,6625c6616,6625 < 17.6 42.0 38.6 15.4 42.1 39.0 16.2 42.8 38.4 15.0 < 30.4 39.2 14.6 31.3 39.0 14.2 29.8 38.5 14.3 35.9 < 41.3 18.4 35.6 42.1 18.9 35.0 41.0 18.0 27.2 34.6 < 9.7 26.3 34.3 9.8 27.7 34.0 9.3 26.9 31.0 12.9 < 27.3 31.9 13.0 27.6 30.4 13.3 28.0 31.7 20.2 28.6 < 31.6 19.4 27.1 31.4 19.8 42.4 39.5 17.8 42.8 40.4 < 18.0 42.7 38.9 18.5 33.8 29.8 21.5 33.3 30.6 21.4 < 34.7 30.2 21.3 38.1 38.7 24.3 38.1 38.3 23.5 38.1 < 39.6 24.2 34.8 36.5 20.4 35.5 37.2 20.4 34.2 36.7 < 19.8 33.5 40.2 17.8 33.2 40.1 18.7 32.8 40.6 17.3 --- > 17.6 42.0 38.6 15.4 42.1 39.0 16.2 42.8 38.5 15.0 > 30.4 39.2 14.6 31.2 39.0 14.1 29.8 38.5 14.4 35.9 > 41.3 18.4 35.6 42.1 18.9 35.0 41.1 18.0 27.2 34.6 > 9.7 26.3 34.3 9.9 27.7 33.9 9.3 26.9 31.0 12.9 > 27.3 31.9 13.0 27.5 30.4 13.4 28.0 31.7 20.2 28.6 > 31.7 19.4 27.1 31.4 19.8 42.4 39.5 17.8 42.8 40.4 > 17.9 42.7 39.0 18.5 33.8 29.9 21.5 33.3 30.6 21.5 > 34.7 30.2 21.3 38.1 38.7 24.3 38.0 38.2 23.5 38.1 > 39.6 24.1 34.8 36.5 20.4 35.5 37.2 20.4 34.2 36.7 > 19.7 33.5 40.2 17.8 33.1 40.1 18.7 32.9 40.7 17.3 6627c6627 < 39.5 15.4 34.1 39.4 16.2 34.1 39.0 14.8 28.5 36.2 --- > 39.5 15.4 34.1 39.4 16.2 34.1 39.0 14.7 28.5 36.2 6629c6629 < 36.5 37.2 6.0 37.6 38.2 5.6 31.0 35.2 20.0 31.5 --- > 36.6 37.1 6.0 37.6 38.2 5.6 31.0 35.2 20.0 31.5 6631,6637c6631,6637 < 22.0 40.7 42.5 22.3 29.6 31.5 22.3 29.0 31.6 23.0 < 29.1 31.6 21.5 28.7 47.6 17.2 28.8 48.3 17.8 28.0 < 47.1 17.6 30.3 31.0 5.2 29.6 30.8 4.7 30.8 30.2 < 5.2 40.0 39.8 20.8 39.2 39.2 21.0 40.7 39.3 21.3 < 22.3 37.1 14.3 23.1 37.1 13.7 21.7 37.7 13.9 25.7 < 30.4 19.3 25.2 29.8 18.8 25.4 31.3 19.1 32.4 44.6 < 18.3 32.6 45.5 18.5 32.3 44.6 17.3 33.1 43.3 11.5 --- > 22.1 40.7 42.5 22.3 29.6 31.5 22.4 28.9 31.6 23.0 > 29.1 31.6 21.5 28.7 47.6 17.2 28.9 48.3 17.8 28.0 > 47.1 17.6 30.3 31.0 5.2 29.5 30.7 4.7 30.9 30.2 > 5.3 40.0 39.8 20.8 39.2 39.2 21.0 40.7 39.3 21.3 > 22.3 37.1 14.3 23.0 37.1 13.6 21.6 37.6 13.9 25.7 > 30.4 19.3 25.1 29.8 18.8 25.4 31.3 19.1 32.4 44.6 > 18.3 32.6 45.5 18.5 32.4 44.6 17.3 33.1 43.3 11.5 6639,6642c6639,6642 < 28.9 14.2 34.6 29.8 13.9 44.0 35.5 16.3 44.2 36.2 < 15.7 43.7 34.8 15.7 34.4 43.5 19.8 35.1 44.2 19.7 < 33.8 43.8 19.2 36.4 38.7 12.5 35.5 38.9 12.1 36.6 < 37.8 12.1 31.5 31.8 14.1 31.4 31.0 14.7 32.2 31.5 --- > 28.9 14.2 34.6 29.8 13.8 44.0 35.5 16.3 44.3 36.2 > 15.7 43.7 34.8 15.7 34.4 43.5 19.8 35.2 44.1 19.7 > 33.8 43.8 19.1 36.4 38.7 12.5 35.5 38.9 12.1 36.6 > 37.9 12.1 31.5 31.8 14.1 31.4 31.0 14.7 32.2 31.5 6644,6647c6644,6647 < 30.0 42.3 21.6 30.9 42.6 21.8 29.7 42.7 20.9 38.6 < 40.7 10.8 38.7 40.1 11.5 37.8 40.6 10.4 38.3 27.3 < 16.4 37.4 27.3 16.6 38.7 27.4 17.2 37.5 34.1 18.3 < 37.7 35.0 17.9 38.3 33.6 18.3 34.9 44.5 13.2 35.0 --- > 30.0 42.3 21.6 30.9 42.6 21.8 29.7 42.7 20.8 38.6 > 40.7 10.8 38.7 40.0 11.5 37.8 40.6 10.4 38.3 27.3 > 16.4 37.4 27.3 16.5 38.7 27.4 17.2 37.5 34.1 18.3 > 37.7 35.0 17.9 38.3 33.7 18.3 34.9 44.6 13.2 35.0 6651,6654c6651,6654 < 40.7 19.1 29.2 44.4 13.2 28.5 45.0 12.8 29.1 44.5 < 14.1 21.1 33.6 16.1 21.5 33.3 16.9 20.3 33.2 16.0 < 32.7 47.4 18.4 32.6 47.9 19.2 33.6 47.6 18.1 26.9 < 28.3 20.5 26.6 29.2 20.3 27.2 28.1 19.6 27.9 32.4 --- > 40.7 19.1 29.2 44.4 13.2 28.6 45.0 12.8 29.1 44.5 > 14.1 21.1 33.6 16.1 21.4 33.4 16.9 20.2 33.3 16.0 > 32.7 47.4 18.4 32.5 48.0 19.2 33.5 47.7 18.1 26.9 > 28.3 20.5 26.6 29.2 20.4 27.2 28.1 19.6 27.9 32.4 6656c6656 < 38.7 41.4 23.6 37.3 41.6 23.0 24.7 33.4 10.2 25.2 --- > 38.7 41.5 23.6 37.3 41.6 23.0 24.7 33.4 10.2 25.2 6658c6658 < 17.1 37.4 45.2 16.4 27.0 31.0 16.2 26.2 31.7 16.1 --- > 17.1 37.5 45.2 16.4 27.0 31.1 16.2 26.2 31.6 16.1 6660,6662c6660,6662 < 41.5 17.7 30.7 29.1 22.2 31.2 29.2 23.0 30.2 29.9 < 22.1 26.2 31.2 9.9 25.7 30.4 10.1 27.1 31.0 10.1 < 35.2 41.9 14.3 35.0 41.0 14.5 36.1 41.9 14.1 28.8 --- > 41.6 17.8 30.7 29.1 22.2 31.2 29.3 23.0 30.2 29.9 > 22.0 26.2 31.2 9.9 25.7 30.4 10.1 27.1 31.0 10.1 > 35.2 41.9 14.3 35.0 41.0 14.5 36.1 41.9 14.0 28.8 6664,6669c6664,6669 < 15.2 40.8 42.9 15.5 39.4 42.9 16.0 31.0 29.3 19.5 < 30.7 29.3 20.4 30.4 29.6 19.0 32.4 27.0 18.7 33.2 < 27.1 19.2 31.9 27.7 18.9 31.5 29.7 8.7 32.4 30.0 < 8.5 30.9 30.4 8.6 34.5 30.7 10.5 34.8 31.6 10.7 < 34.3 30.8 9.6 29.0 32.3 15.1 29.8 32.1 14.6 29.1 < 33.3 15.3 31.3 30.1 16.1 31.4 29.1 16.0 32.0 30.3 --- > 15.2 40.8 42.9 15.6 39.3 42.9 16.0 31.0 29.3 19.5 > 30.6 29.3 20.4 30.4 29.6 18.9 32.4 27.0 18.7 33.2 > 27.1 19.2 31.9 27.7 18.8 31.5 29.7 8.7 32.4 30.0 > 8.5 30.9 30.4 8.6 34.5 30.7 10.5 34.8 31.6 10.8 > 34.3 30.8 9.6 29.0 32.3 15.1 29.8 32.2 14.6 29.1 > 33.2 15.4 31.3 30.1 16.1 31.3 29.1 16.1 31.9 30.3 6671c6671 < 38.0 43.4 11.2 38.1 42.4 10.9 38.8 43.6 11.6 24.4 --- > 38.0 43.4 11.2 38.1 42.5 10.9 38.9 43.5 11.6 24.4 6673,6679c6673,6679 < 11.5 31.2 27.8 11.4 31.2 29.1 10.6 34.0 25.8 15.2 < 34.1 26.0 14.3 34.5 25.0 15.3 44.6 36.7 12.2 44.9 < 35.8 12.0 43.7 36.7 11.9 24.4 33.9 21.3 23.8 34.3 < 22.0 24.3 34.5 20.6 41.7 40.0 8.8 41.7 40.0 7.8 < 41.4 39.1 9.0 32.7 42.9 21.9 33.2 42.9 22.7 33.3 < 43.1 21.2 33.6 46.5 14.5 32.9 46.1 15.0 34.0 45.8 < 13.9 26.3 42.0 14.3 27.1 41.8 13.9 26.1 41.3 14.9 --- > 11.5 31.2 27.9 11.5 31.1 29.1 10.6 34.0 25.8 15.2 > 34.1 26.1 14.3 34.6 25.1 15.3 44.6 36.7 12.2 44.9 > 35.8 12.0 43.7 36.7 12.0 24.4 33.9 21.3 23.8 34.2 > 21.9 24.3 34.5 20.6 41.7 40.0 8.8 41.7 40.0 7.8 > 41.4 39.1 9.0 32.7 42.9 21.9 33.2 43.0 22.7 33.3 > 43.1 21.2 33.6 46.5 14.5 32.9 46.1 15.0 34.0 45.9 > 13.9 26.3 42.0 14.3 27.1 41.8 13.9 26.0 41.3 14.9 6681c6681 < 42.4 14.8 21.9 41.8 14.8 22.9 42.4 15.8 31.4 30.9 --- > 42.4 14.8 21.9 41.8 14.7 22.8 42.4 15.8 31.4 30.9 6683,6690c6683,6690 < 41.5 40.9 24.0 42.4 41.0 25.3 42.0 38.0 21.7 42.3 < 37.8 22.6 41.7 37.1 21.4 30.1 41.0 9.4 30.1 41.9 < 9.1 31.0 40.9 9.8 38.8 33.2 24.0 39.6 33.5 23.4 < 39.0 33.6 24.8 32.1 32.0 21.8 31.2 31.8 21.8 32.3 < 32.5 22.6 43.8 39.7 22.4 43.4 40.0 23.2 43.2 39.2 < 21.9 44.6 37.8 14.8 45.5 38.1 15.0 44.6 37.5 13.9 < 41.2 35.6 20.9 41.5 35.2 20.1 40.3 35.8 20.7 28.3 < 36.9 10.9 27.8 36.2 10.5 28.7 37.4 10.1 34.5 27.6 --- > 41.5 40.9 24.0 42.4 41.0 25.3 42.0 38.0 21.7 42.4 > 37.8 22.6 41.8 37.1 21.4 30.1 41.0 9.4 30.1 41.9 > 9.1 31.0 40.9 9.9 38.8 33.2 24.0 39.5 33.5 23.4 > 39.0 33.6 24.8 32.1 32.0 21.8 31.2 31.8 21.7 32.2 > 32.4 22.6 43.8 39.7 22.4 43.4 40.0 23.2 43.2 39.1 > 22.0 44.6 37.8 14.8 45.4 38.1 15.0 44.6 37.5 13.9 > 41.2 35.6 20.9 41.5 35.1 20.1 40.3 35.8 20.7 28.3 > 36.9 10.9 27.7 36.3 10.5 28.6 37.4 10.1 34.5 27.6 6692,6695c6692,6695 < 26.7 32.8 7.1 26.8 32.1 8.5 35.8 23.7 15.3 36.1 < 22.9 15.8 36.6 24.0 14.9 34.2 43.8 6.2 34.9 44.0 < 5.6 34.1 44.6 6.7 39.8 32.9 18.4 40.8 33.0 18.4 < 39.7 32.3 19.1 36.7 29.1 19.5 36.4 29.5 18.7 36.8 --- > 26.7 32.8 7.1 26.8 32.1 8.4 35.8 23.7 15.3 36.1 > 22.9 15.8 36.6 24.0 14.9 34.2 43.8 6.2 34.9 44.1 > 5.6 34.1 44.5 6.8 39.8 32.9 18.4 40.8 33.0 18.5 > 39.6 32.3 19.1 36.7 29.1 19.5 36.4 29.5 18.7 36.9 6698,6701c6698,6701 < 34.4 34.5 4.8 34.9 33.8 5.3 33.5 34.1 4.6 42.6 < 32.5 18.2 42.4 31.6 18.0 43.4 32.4 18.8 40.1 26.3 < 14.6 39.5 26.8 15.2 40.5 27.0 14.1 48.1 35.9 16.3 < 48.9 35.8 16.9 47.4 35.5 16.8 46.2 34.5 17.6 45.4 --- > 34.4 34.5 4.8 34.9 33.8 5.3 33.6 34.1 4.5 42.6 > 32.5 18.2 42.4 31.6 18.0 43.4 32.5 18.8 40.2 26.3 > 14.6 39.5 26.8 15.1 40.5 27.0 14.1 48.1 35.9 16.3 > 48.9 35.8 16.9 47.5 35.5 16.8 46.2 34.5 17.6 45.4 6703,6704c6703,6704 < 26.4 34.0 37.1 26.2 31.8 33.2 4.6 31.6 32.4 5.0 < 31.9 33.0 3.7 23.3 33.6 14.3 22.9 32.8 14.0 22.7 --- > 26.4 34.0 37.1 26.2 31.8 33.2 4.6 31.7 32.4 5.0 > 31.9 33.0 3.7 23.3 33.6 14.3 23.0 32.8 14.0 22.7 6706,6707c6706,6707 < 19.2 33.8 26.3 10.2 32.9 26.1 10.4 34.3 26.1 11.0 < 35.0 25.8 12.6 35.7 26.4 12.9 35.4 24.9 12.6 30.9 --- > 19.2 33.8 26.3 10.2 32.9 26.0 10.4 34.3 26.1 11.0 > 35.0 25.8 12.6 35.7 26.4 12.9 35.3 24.9 12.7 30.9 6709,6711c6709,6711 < 4.7 32.5 29.0 4.5 31.7 27.8 4.4 23.3 36.6 16.7 < 22.7 36.7 16.0 24.2 36.9 16.4 38.4 27.7 11.7 37.9 < 28.5 11.4 38.5 27.2 10.8 36.8 27.4 13.9 37.4 27.6 --- > 4.7 32.5 29.1 4.5 31.8 27.7 4.4 23.3 36.6 16.7 > 22.7 36.6 16.0 24.2 36.9 16.3 38.4 27.7 11.7 37.8 > 28.4 11.4 38.5 27.2 10.9 36.8 27.4 13.9 37.3 27.6 6713c6713 < 30.3 35.8 25.1 25.3 37.8 15.3 25.2 38.0 14.3 25.5 --- > 30.3 35.8 25.1 25.3 37.8 15.2 25.3 38.0 14.3 25.5 6716,6725c6716,6725 < 37.1 30.1 10.9 36.2 30.3 10.7 37.6 30.2 10.1 40.0 < 30.8 13.6 40.2 31.2 14.5 39.0 30.8 13.5 44.6 31.4 < 14.7 44.8 30.8 14.0 44.4 30.9 15.4 26.8 44.1 16.1 < 26.4 43.3 15.6 26.2 44.8 15.8 37.2 36.4 11.1 37.3 < 37.0 10.3 37.1 35.6 10.8 41.5 32.1 11.6 41.0 31.6 < 12.2 41.4 33.0 11.9 46.2 33.5 13.9 45.5 32.8 14.0 < 46.0 33.9 13.0 29.2 45.3 15.7 29.2 46.2 16.0 28.3 < 44.9 15.9 38.2 39.6 4.7 39.1 39.8 4.6 37.7 40.4 < 4.4 37.8 37.9 9.0 37.7 37.8 8.0 37.5 38.7 9.2 < 23.0 31.5 20.8 23.5 32.3 21.0 22.3 31.6 21.4 36.5 --- > 37.1 30.1 10.9 36.2 30.3 10.7 37.7 30.2 10.1 40.0 > 30.8 13.6 40.1 31.2 14.5 39.0 30.8 13.5 44.6 31.4 > 14.7 44.8 30.8 14.0 44.3 30.9 15.4 26.8 44.1 16.1 > 26.4 43.4 15.6 26.1 44.8 15.9 37.2 36.4 11.1 37.3 > 37.0 10.3 37.0 35.6 10.8 41.5 32.1 11.6 40.9 31.6 > 12.2 41.3 33.0 11.9 46.2 33.5 13.9 45.5 32.8 13.9 > 46.1 34.0 13.1 29.2 45.3 15.7 29.2 46.2 16.0 28.3 > 44.9 15.9 38.2 39.6 4.7 39.1 39.8 4.6 37.7 40.3 > 4.3 37.8 37.9 9.0 37.8 37.8 8.0 37.5 38.7 9.2 > 23.0 31.5 20.8 23.5 32.4 20.9 22.3 31.6 21.4 36.5 6729,6732c6729,6732 < 44.6 15.8 32.1 44.0 15.1 36.0 23.4 12.1 35.2 23.0 < 11.9 36.4 22.8 12.7 46.9 51.3 15.8 46.7 50.8 15.0 < 47.2 52.2 15.4 44.4 51.5 16.8 44.2 50.8 16.2 45.3 < 51.8 16.7 45.5 51.1 23.3 46.2 51.2 22.7 45.7 50.3 --- > 44.6 15.8 32.1 44.0 15.0 36.0 23.3 12.1 35.1 23.1 > 12.0 36.4 22.8 12.8 46.9 51.3 15.8 46.7 50.8 15.0 > 47.1 52.2 15.4 44.4 51.5 16.8 44.2 50.8 16.2 45.3 > 51.8 16.7 45.5 51.1 23.3 46.2 51.2 22.7 45.8 50.3 6735,6737c6735,6737 < 52.6 18.1 43.1 52.3 17.6 41.9 51.8 18.4 49.8 42.5 < 19.8 49.0 43.2 19.8 49.5 41.9 20.5 40.5 50.8 15.1 < 39.6 50.7 15.5 40.7 51.7 14.9 48.8 45.4 17.2 47.8 --- > 52.6 18.1 43.1 52.4 17.6 41.9 51.8 18.4 49.8 42.5 > 19.8 49.1 43.2 19.8 49.5 41.9 20.5 40.5 50.8 15.1 > 39.6 50.7 15.4 40.6 51.7 14.9 48.8 45.4 17.2 47.8 6740,6742c6740,6742 < 44.6 46.9 24.4 51.0 44.5 18.7 50.3 45.0 18.2 50.5 < 43.7 19.0 43.0 50.4 24.6 43.8 50.8 24.1 42.4 51.1 < 24.5 48.1 54.4 21.6 49.0 54.3 21.4 48.0 55.2 22.1 --- > 44.6 46.9 24.4 51.0 44.5 18.7 50.3 45.1 18.3 50.5 > 43.7 19.0 43.1 50.4 24.6 43.8 50.7 24.1 42.4 51.1 > 24.4 48.1 54.4 21.5 49.0 54.2 21.4 48.0 55.2 22.1 6744,6747c6744,6747 < 46.5 21.1 46.6 47.4 20.8 47.2 46.5 21.9 46.2 44.7 < 17.3 45.4 45.1 17.7 46.0 44.6 16.4 41.0 53.5 15.6 < 41.7 54.0 15.2 41.3 53.3 16.5 41.2 48.4 24.9 40.5 < 49.0 24.8 41.9 48.9 24.4 36.8 48.7 16.0 36.2 48.8 --- > 46.5 21.1 46.6 47.4 20.8 47.3 46.5 21.9 46.2 44.7 > 17.3 45.4 45.1 17.6 46.0 44.6 16.4 41.0 53.5 15.6 > 41.8 53.9 15.3 41.2 53.3 16.5 41.2 48.4 24.9 40.5 > 49.0 24.8 41.9 48.8 24.4 36.8 48.6 16.0 36.2 48.7 6749,6755c6749,6755 < 37.5 48.6 11.2 45.5 54.9 20.7 44.9 54.1 21.1 46.4 < 54.6 21.0 35.2 48.1 18.1 35.4 48.9 18.6 35.8 48.1 < 17.4 42.8 42.4 26.5 42.5 42.3 27.4 43.0 43.4 26.4 < 43.3 44.3 23.8 43.9 43.8 24.3 43.8 44.6 23.0 38.3 < 49.3 22.4 38.3 48.5 23.0 37.4 49.4 22.2 39.6 56.9 < 19.8 40.6 57.1 19.9 39.3 57.4 19.0 43.9 53.0 22.0 < 44.6 52.5 22.3 43.3 53.1 22.7 46.9 40.5 19.3 46.2 --- > 37.5 48.6 11.2 45.5 54.9 20.7 44.9 54.1 21.0 46.4 > 54.7 21.0 35.2 48.1 18.1 35.4 48.9 18.6 35.8 48.0 > 17.4 42.8 42.4 26.5 42.5 42.3 27.4 43.0 43.3 26.4 > 43.3 44.3 23.8 43.9 43.8 24.2 43.8 44.7 23.0 38.3 > 49.3 22.4 38.3 48.6 23.1 37.4 49.4 22.2 39.6 56.9 > 19.8 40.5 57.2 19.9 39.3 57.4 19.0 43.9 53.0 22.0 > 44.6 52.6 22.3 43.3 53.2 22.7 46.9 40.5 19.3 46.2 6757,6758c6757,6758 < 12.3 44.4 45.9 11.9 46.6 41.9 17.0 46.0 41.4 16.4 < 46.2 42.7 17.3 42.6 42.6 15.8 43.1 41.9 15.4 42.7 --- > 12.3 44.4 45.9 11.9 46.6 41.8 17.0 46.0 41.4 16.4 > 46.2 42.7 17.3 42.6 42.6 15.8 43.1 41.9 15.4 42.6 6762,6763c6762,6763 < 39.3 14.1 50.1 39.0 13.6 49.7 40.1 14.4 35.2 50.6 < 12.0 34.8 50.0 11.4 35.3 50.1 12.8 43.2 49.9 14.9 --- > 39.3 14.1 50.1 39.0 13.6 49.7 40.2 14.4 35.2 50.6 > 12.0 34.8 50.0 11.4 35.2 50.1 12.8 43.2 49.9 14.9 6765,6768c6765,6768 < 50.1 10.7 40.7 49.7 11.3 46.3 49.1 20.4 46.3 49.7 < 21.1 46.6 49.5 19.6 40.0 45.5 17.5 40.7 45.4 16.9 < 39.3 45.8 16.9 37.4 45.6 13.1 37.5 45.9 14.0 38.3 < 45.4 12.9 38.7 45.7 19.9 39.3 45.8 19.2 37.8 46.0 --- > 50.2 10.7 40.6 49.7 11.3 46.3 49.1 20.4 46.3 49.7 > 21.1 46.6 49.5 19.6 40.0 45.5 17.5 40.7 45.3 16.9 > 39.2 45.7 16.9 37.4 45.5 13.1 37.5 45.9 14.0 38.3 > 45.4 12.9 38.6 45.7 19.9 39.3 45.7 19.2 37.8 46.0 6771c6771 < 56.8 19.2 44.9 56.2 19.8 44.7 56.5 18.3 39.6 50.9 --- > 56.8 19.2 45.0 56.2 19.8 44.7 56.4 18.3 39.6 50.9 6773,6779c6773,6779 < 42.4 49.5 19.3 42.8 50.8 20.1 40.2 46.4 22.2 39.6 < 46.6 22.8 39.7 46.3 21.4 33.3 51.3 14.0 34.1 51.3 < 13.4 32.8 52.1 13.6 35.9 45.7 19.2 36.3 45.3 18.4 < 35.7 46.5 19.0 45.6 44.4 14.7 46.1 43.7 14.2 44.9 < 44.6 14.1 42.6 47.2 14.4 42.5 46.6 15.1 43.1 46.7 < 13.7 48.9 43.1 15.8 48.2 42.8 16.3 49.0 44.0 16.2 < 47.6 50.2 18.3 47.3 50.7 17.5 48.0 49.4 18.0 46.1 --- > 42.4 49.5 19.3 42.8 50.8 20.1 40.2 46.4 22.2 39.5 > 46.7 22.8 39.8 46.3 21.3 33.3 51.3 14.0 34.1 51.2 > 13.4 32.9 52.1 13.6 35.9 45.7 19.2 36.3 45.3 18.5 > 35.7 46.6 18.9 45.6 44.4 14.7 46.0 43.7 14.2 44.8 > 44.6 14.1 42.6 47.2 14.4 42.6 46.6 15.1 43.1 46.7 > 13.7 48.9 43.1 15.8 48.1 42.8 16.3 48.9 44.0 16.2 > 47.6 50.2 18.3 47.3 50.7 17.6 48.0 49.4 18.0 46.1 6781c6781 < 19.5 36.5 54.5 19.2 35.7 55.7 19.7 31.1 48.8 16.5 --- > 19.5 36.5 54.5 19.2 35.7 55.7 19.6 31.1 48.8 16.5 6783,6789c6783,6789 < 43.9 20.3 38.5 42.8 19.3 38.2 47.0 24.1 38.8 47.0 < 24.8 37.4 46.6 24.3 34.5 48.8 10.3 35.2 48.2 10.7 < 33.9 48.2 9.9 38.3 46.6 15.6 37.5 47.3 15.8 38.9 < 47.1 15.2 41.2 44.0 21.9 41.8 44.0 22.6 40.8 44.9 < 21.9 36.5 47.1 11.0 36.3 46.3 10.4 36.7 46.7 11.8 < 41.9 44.3 19.3 41.7 44.1 20.2 41.0 44.7 19.0 43.2 < 42.0 18.5 44.0 42.1 19.0 42.6 42.7 18.7 40.2 48.2 --- > 43.9 20.3 38.5 42.8 19.3 38.2 47.0 24.1 38.8 46.9 > 24.8 37.4 46.6 24.3 34.5 48.8 10.3 35.1 48.2 10.7 > 33.9 48.2 9.9 38.3 46.6 15.7 37.5 47.2 15.7 38.9 > 47.1 15.1 41.2 44.0 21.9 41.8 44.0 22.6 40.9 44.9 > 21.9 36.5 47.1 11.0 36.2 46.3 10.5 36.7 46.7 11.8 > 41.9 44.3 19.3 41.8 44.2 20.2 41.0 44.7 19.0 43.2 > 42.0 18.5 44.0 42.2 19.0 42.6 42.7 18.7 40.2 48.2 6791,6793c6791,6793 < 42.4 44.2 15.8 42.9 45.3 16.8 43.8 45.7 18.2 43.9 < 46.6 18.4 43.5 45.3 19.0 35.4 50.7 19.0 34.7 51.2 < 18.4 36.2 51.1 18.9 42.2 43.8 11.5 42.3 42.9 11.3 --- > 42.3 44.2 15.8 42.8 45.2 16.9 43.8 45.7 18.2 43.9 > 46.6 18.4 43.6 45.3 19.0 35.4 50.7 19.0 34.7 51.2 > 18.4 36.2 51.2 18.9 42.2 43.8 11.5 42.2 42.8 11.3 6795,6796c6795,6796 < 39.9 15.0 35.9 49.7 21.5 35.2 49.8 22.2 35.6 50.3 < 20.8 34.7 55.3 14.9 33.8 55.2 14.7 34.7 55.6 15.8 --- > 39.9 15.0 35.9 49.7 21.5 35.3 49.8 22.2 35.6 50.3 > 20.8 34.7 55.3 14.9 33.8 55.2 14.8 34.7 55.6 15.8 6799,6804c6799,6804 < 21.8 42.0 47.1 21.8 43.2 47.0 22.7 45.2 42.6 20.1 < 46.1 42.8 19.9 44.9 43.2 20.8 47.2 38.0 14.8 47.6 < 37.4 15.4 47.9 38.6 14.6 49.3 47.8 18.6 50.2 47.6 < 18.7 48.9 47.8 19.5 47.5 44.1 19.8 47.0 44.2 18.9 < 47.4 44.9 20.3 51.8 47.1 19.4 51.7 46.2 19.4 52.7 < 47.3 19.0 50.9 41.5 14.9 50.2 42.0 15.2 51.4 42.1 --- > 21.8 42.0 47.1 21.8 43.2 46.9 22.7 45.2 42.6 20.1 > 46.1 42.8 19.9 45.0 43.2 20.8 47.2 38.0 14.8 47.6 > 37.4 15.4 47.8 38.6 14.6 49.3 47.8 18.6 50.2 47.6 > 18.7 48.9 47.8 19.5 47.5 44.1 19.8 47.0 44.2 19.0 > 47.4 44.9 20.2 51.8 47.1 19.4 51.8 46.2 19.4 52.7 > 47.3 19.0 50.9 41.5 14.9 50.1 41.9 15.1 51.4 42.1 6806c6806 < 34.7 48.8 14.2 34.5 47.9 14.0 33.9 49.3 14.5 37.8 --- > 34.7 48.8 14.2 34.5 48.0 13.9 33.9 49.2 14.5 37.8 6808,6812c6808,6812 < 10.0 43.9 41.4 10.3 45.3 41.2 10.8 46.0 40.8 12.5 < 46.6 41.4 12.7 46.5 40.0 12.5 42.2 47.4 27.8 41.6 < 48.0 27.9 42.0 46.8 27.1 34.2 51.7 16.6 33.9 51.4 < 15.7 34.7 52.5 16.5 47.6 42.8 13.4 48.2 43.2 12.7 < 48.0 43.0 14.2 41.7 50.8 27.0 41.6 51.7 27.0 42.4 --- > 10.0 43.9 41.4 10.3 45.3 41.2 10.8 46.0 40.7 12.5 > 46.6 41.5 12.7 46.5 40.0 12.5 42.2 47.4 27.8 41.6 > 48.0 27.9 42.0 46.8 27.1 34.2 51.7 16.6 33.8 51.5 > 15.7 34.6 52.5 16.5 47.6 42.8 13.4 48.2 43.1 12.8 > 48.0 42.9 14.2 41.8 50.8 27.0 41.7 51.7 27.0 42.4 6814,6833c6814,6833 < 16.0 38.4 54.5 19.6 38.7 55.4 19.6 38.7 54.1 20.4 < 39.6 53.3 21.9 40.3 53.6 21.4 39.3 52.5 21.4 33.3 < 48.5 20.9 34.2 48.3 20.7 33.3 48.6 21.8 46.9 38.1 < 12.0 46.1 37.5 12.0 47.2 38.1 12.9 39.2 45.9 26.4 < 40.1 45.7 26.1 38.7 45.1 26.3 27.0 3.2 13.3 27.6 < 3.0 12.6 26.6 4.0 13.1 28.9 3.6 11.5 28.8 4.2 < 10.8 29.4 4.1 12.2 30.7 1.6 10.8 30.1 2.3 10.8 < 30.3 0.9 10.3 25.4 1.4 14.6 25.9 1.9 14.0 25.3 < 2.0 15.4 36.2 13.5 4.5 37.2 13.5 4.2 36.0 14.4 < 4.3 33.9 13.4 6.1 33.9 12.5 6.3 34.5 13.5 5.3 < 33.6 14.6 10.2 34.2 14.6 9.4 33.9 13.9 10.8 29.4 < 16.5 9.1 29.7 17.3 8.6 29.7 16.7 10.0 31.5 14.7 < 6.6 32.3 14.3 6.2 31.2 14.1 7.2 35.0 17.0 6.3 < 35.3 18.0 6.2 34.1 17.1 6.6 30.7 22.6 -3.0 30.9 < 23.5 -3.1 30.1 22.6 -2.3 31.5 11.1 10.7 30.6 10.8 < 11.0 31.9 11.7 11.3 30.8 14.1 10.3 31.7 14.2 10.2 < 30.4 14.8 9.7 37.9 15.2 8.6 38.4 14.6 8.0 37.0 < 14.8 8.4 33.7 10.9 7.0 34.3 10.8 7.7 32.9 10.4 < 7.3 35.3 15.9 3.9 35.1 16.7 3.3 35.5 16.4 4.7 < 35.1 8.0 8.6 35.4 8.9 8.6 35.6 7.6 9.3 38.9 --- > 16.1 38.4 54.5 19.6 38.6 55.4 19.6 38.7 54.1 20.4 > 39.6 53.3 21.9 40.3 53.7 21.3 39.2 52.6 21.4 33.3 > 48.5 20.9 34.2 48.3 20.7 33.2 48.6 21.8 46.9 38.1 > 12.0 46.2 37.5 12.0 47.2 38.2 12.9 39.2 45.9 26.4 > 40.1 45.7 26.0 38.7 45.1 26.2 27.0 3.2 13.3 27.6 > 3.0 12.6 26.6 4.0 13.0 28.9 3.6 11.5 28.8 4.2 > 10.8 29.4 4.1 12.2 30.7 1.6 10.8 30.1 2.3 10.7 > 30.3 0.9 10.3 25.4 1.4 14.6 25.9 1.8 14.0 25.2 > 2.0 15.3 36.2 13.5 4.5 37.2 13.5 4.2 36.0 14.4 > 4.4 33.9 13.4 6.1 34.0 12.5 6.3 34.5 13.6 5.4 > 33.6 14.6 10.2 34.2 14.6 9.4 33.9 13.9 10.7 29.4 > 16.5 9.1 29.7 17.2 8.6 29.7 16.7 10.0 31.5 14.7 > 6.6 32.3 14.3 6.3 31.2 14.1 7.3 35.0 17.0 6.3 > 35.2 18.0 6.2 34.1 17.0 6.6 30.7 22.6 -3.0 31.0 > 23.5 -3.1 30.1 22.6 -2.3 31.5 11.1 10.6 30.6 10.8 > 11.0 31.9 11.7 11.3 30.8 14.1 10.3 31.7 14.1 10.1 > 30.5 14.8 9.6 37.9 15.2 8.6 38.5 14.6 8.0 37.0 > 14.8 8.4 33.7 10.9 7.0 34.3 10.8 7.7 33.0 10.3 > 7.2 35.3 15.9 3.9 35.1 16.7 3.3 35.6 16.3 4.7 > 35.1 8.0 8.6 35.4 8.9 8.5 35.6 7.6 9.3 38.9 6835c6835 < 5.7 29.5 16.0 4.9 29.9 15.6 6.3 29.0 10.2 11.5 --- > 5.7 29.5 16.0 4.9 29.8 15.7 6.4 29.0 10.2 11.5 6837,6842c6837,6842 < 17.2 4.5 39.4 17.2 5.7 32.6 17.3 7.2 32.5 17.5 < 8.1 32.1 16.5 7.1 29.8 5.3 13.3 29.7 4.7 14.1 < 30.7 5.7 13.6 31.6 6.9 10.4 32.4 6.8 10.9 31.8 < 6.8 9.5 26.6 11.1 9.2 26.7 10.1 9.5 25.7 11.2 < 8.9 34.0 19.6 10.4 33.7 18.6 10.6 34.6 19.5 9.7 < 29.8 20.8 6.0 30.2 20.4 5.3 28.9 21.0 5.7 35.6 --- > 17.3 4.4 39.4 17.2 5.7 32.6 17.3 7.2 32.5 17.5 > 8.1 32.0 16.5 7.1 29.9 5.3 13.3 29.7 4.7 14.1 > 30.6 5.7 13.6 31.6 6.9 10.4 32.4 6.8 10.9 31.8 > 6.8 9.5 26.6 11.1 9.2 26.6 10.1 9.5 25.7 11.2 > 9.0 34.0 19.6 10.4 33.8 18.7 10.7 34.7 19.5 9.7 > 29.8 20.8 6.0 30.2 20.4 5.3 28.9 21.1 5.7 35.6 6844,6845c6844,6845 < 10.0 33.1 16.3 10.1 31.9 17.2 10.5 38.8 14.6 4.3 < 38.6 15.5 4.4 39.7 14.6 4.1 39.8 17.0 -1.9 39.9 --- > 10.0 33.1 16.3 10.2 31.9 17.2 10.5 38.8 14.6 4.3 > 38.6 15.5 4.5 39.7 14.6 4.1 39.8 17.0 -1.9 39.9 6847,6852c6847,6852 < -0.9 37.5 20.0 0.5 31.9 20.2 1.3 31.7 20.5 0.4 < 32.9 20.1 1.4 36.1 10.5 8.6 36.7 10.8 9.2 36.4 < 10.9 7.7 41.6 14.9 3.6 41.7 15.8 3.8 41.8 14.9 < 2.6 35.4 19.4 4.9 35.4 20.3 4.5 34.4 19.3 5.1 < 42.0 17.3 4.6 41.9 18.3 4.5 42.7 17.3 5.2 32.7 < 7.3 7.8 32.3 8.1 7.6 33.6 7