REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3izn_1_B DATA FIRST_RESID 492 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVITN DATA SEQUENCE IKDLSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 492 V HA 0.000 nan 4.120 nan 0.000 0.244 492 V C 0.000 176.086 176.094 -0.014 0.000 1.182 492 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 492 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 493 L N 2.895 124.108 121.223 -0.017 0.000 2.307 493 L HA 0.564 4.904 4.340 0.000 0.000 0.282 493 L C -2.216 174.642 176.870 -0.020 0.000 1.051 493 L CA -1.513 53.315 54.840 -0.020 0.000 0.804 493 L CB 0.748 42.791 42.059 -0.025 0.000 1.197 493 L HN 0.164 nan 8.230 nan 0.000 0.431 494 P HA 0.100 nan 4.420 nan 0.000 0.268 494 P C -0.738 176.550 177.300 -0.021 0.000 1.204 494 P CA -0.232 62.858 63.100 -0.017 0.000 0.768 494 P CB 0.444 32.135 31.700 -0.015 0.000 0.842 495 E N 2.209 122.398 120.200 -0.019 0.000 2.360 495 E HA 0.049 4.399 4.350 0.000 0.000 0.269 495 E C 0.565 177.155 176.600 -0.018 0.000 1.022 495 E CA 0.125 56.512 56.400 -0.021 0.000 0.887 495 E CB 0.290 29.980 29.700 -0.018 0.000 0.990 495 E HN 0.514 nan 8.360 nan 0.000 0.426 496 N N 1.054 119.742 118.700 -0.019 0.000 2.993 496 N HA -0.147 4.593 4.740 0.000 0.000 0.171 496 N C -0.739 174.765 175.510 -0.010 0.000 1.446 496 N CA 0.700 53.743 53.050 -0.011 0.000 1.542 496 N CB -0.481 38.001 38.487 -0.007 0.000 1.042 496 N HN 0.320 nan 8.380 nan 0.000 0.638 497 M N 1.525 121.115 119.600 -0.016 0.000 2.250 497 M HA 0.298 4.778 4.480 0.000 0.000 0.344 497 M C -0.002 176.279 176.300 -0.032 0.000 1.150 497 M CA 0.334 55.625 55.300 -0.015 0.000 1.147 497 M CB 0.905 33.494 32.600 -0.018 0.000 1.498 497 M HN 0.044 nan 8.290 nan 0.000 0.461 498 K N 1.895 122.284 120.400 -0.018 0.000 2.244 498 K HA 0.584 4.904 4.320 0.000 0.000 0.260 498 K C -0.498 176.052 176.600 -0.083 0.000 0.951 498 K CA -0.636 55.608 56.287 -0.071 0.000 0.826 498 K CB 2.405 34.931 32.500 0.044 0.000 1.108 498 K HN 0.529 nan 8.250 nan 0.000 0.433 499 R N 3.122 123.471 120.500 -0.251 0.000 2.532 499 R HA 0.321 4.661 4.340 0.000 0.000 0.297 499 R C -1.605 174.493 176.300 -0.336 0.000 0.984 499 R CA -0.512 55.490 56.100 -0.163 0.000 0.884 499 R CB 0.883 31.131 30.300 -0.087 0.000 1.182 499 R HN 0.549 nan 8.270 nan 0.000 0.442 500 Y N 3.286 123.589 120.300 0.006 0.000 2.562 500 Y HA 0.570 5.120 4.550 -0.000 0.000 0.343 500 Y C 0.231 176.132 175.900 0.001 0.000 1.025 500 Y CA -0.869 57.233 58.100 0.004 0.000 1.082 500 Y CB 2.436 40.901 38.460 0.008 0.000 1.264 500 Y HN 0.307 nan 8.280 nan 0.000 0.478 501 M N 0.544 120.235 119.600 0.152 0.000 2.593 501 M HA 0.584 5.064 4.480 0.000 0.000 0.290 501 M C 0.457 176.793 176.300 0.059 0.000 1.244 501 M CA -0.335 55.011 55.300 0.076 0.000 0.857 501 M CB 2.472 35.096 32.600 0.039 0.000 1.738 501 M HN 0.889 nan 8.290 nan 0.000 0.461 502 G N 2.016 110.832 108.800 0.026 0.000 2.556 502 G HA2 -0.335 3.625 3.960 0.000 0.000 0.283 502 G HA3 -0.335 3.625 3.960 0.000 0.000 0.283 502 G C 0.505 175.399 174.900 -0.010 0.000 1.177 502 G CA 0.792 45.892 45.100 -0.001 0.000 0.978 502 G HN 0.989 nan 8.290 nan 0.000 0.554 503 R N 0.510 121.001 120.500 -0.014 0.000 2.237 503 R HA 0.063 4.403 4.340 0.000 0.000 0.219 503 R C 1.553 177.841 176.300 -0.021 0.000 1.080 503 R CA 2.069 58.154 56.100 -0.025 0.000 0.995 503 R CB -0.269 30.016 30.300 -0.024 0.000 0.875 503 R HN 0.495 nan 8.270 nan 0.000 0.462 504 D N 1.434 121.842 120.400 0.014 0.000 2.183 504 D HA 0.007 4.647 4.640 0.000 0.000 0.205 504 D C 1.960 178.248 176.300 -0.020 0.000 0.962 504 D CA 1.350 55.357 54.000 0.013 0.000 0.849 504 D CB -0.012 40.884 40.800 0.160 0.000 0.978 504 D HN 0.392 nan 8.370 nan 0.000 0.488 505 A N 1.159 124.020 122.820 0.067 0.000 1.902 505 A HA -0.183 4.137 4.320 0.000 0.000 0.217 505 A C 2.141 179.723 177.584 -0.003 0.000 1.181 505 A CA 1.202 53.283 52.037 0.073 0.000 0.623 505 A CB -0.286 18.762 19.000 0.080 0.000 0.818 505 A HN 0.052 nan 8.150 nan 0.000 0.443 506 Q N -0.723 119.061 119.800 -0.027 0.000 2.123 506 Q HA -0.106 4.234 4.340 0.000 0.000 0.199 506 Q C 2.231 178.184 176.000 -0.079 0.000 0.966 506 Q CA 1.448 57.222 55.803 -0.050 0.000 0.845 506 Q CB -0.398 28.306 28.738 -0.057 0.000 0.907 506 Q HN 0.769 nan 8.270 nan 0.000 0.439 507 R N -0.095 120.348 120.500 -0.094 0.000 2.070 507 R HA -0.081 4.259 4.340 0.000 0.000 0.233 507 R C 2.167 178.372 176.300 -0.158 0.000 1.137 507 R CA 1.305 57.335 56.100 -0.117 0.000 0.945 507 R CB 0.029 30.260 30.300 -0.115 0.000 0.845 507 R HN 0.132 nan 8.270 nan 0.000 0.430 508 M N 0.820 120.290 119.600 -0.217 0.000 2.132 508 M HA -0.106 4.374 4.480 0.000 0.000 0.263 508 M C 1.733 177.908 176.300 -0.208 0.000 1.065 508 M CA 1.450 56.597 55.300 -0.255 0.000 1.122 508 M CB -1.136 31.208 32.600 -0.426 0.000 1.365 508 M HN 0.165 nan 8.290 nan 0.000 0.411 509 N N 0.660 119.280 118.700 -0.133 0.000 2.216 509 N HA 0.002 4.742 4.740 0.000 0.000 0.183 509 N C 1.850 177.221 175.510 -0.232 0.000 1.017 509 N CA 1.103 54.067 53.050 -0.143 0.000 0.861 509 N CB -0.260 38.271 38.487 0.073 0.000 0.986 509 N HN 0.364 nan 8.380 nan 0.000 0.428 510 I N 0.316 120.798 120.570 -0.148 0.000 2.252 510 I HA -0.200 3.970 4.170 0.000 0.000 0.245 510 I C 1.659 177.687 176.117 -0.148 0.000 1.102 510 I CA 0.547 61.771 61.300 -0.126 0.000 1.385 510 I CB -0.091 37.851 38.000 -0.096 0.000 1.064 510 I HN 0.020 nan 8.210 nan 0.000 0.414 511 L N 0.855 121.981 121.223 -0.162 0.000 2.127 511 L HA -0.193 4.147 4.340 0.000 0.000 0.211 511 L C 2.679 179.449 176.870 -0.166 0.000 1.089 511 L CA 1.978 56.732 54.840 -0.144 0.000 0.757 511 L CB -1.247 40.730 42.059 -0.137 0.000 0.899 511 L HN 0.211 nan 8.230 nan 0.000 0.434 512 A N -0.665 121.995 122.820 -0.268 0.000 1.908 512 A HA -0.140 4.180 4.320 0.000 0.000 0.218 512 A C 2.435 179.918 177.584 -0.168 0.000 1.181 512 A CA 1.790 53.654 52.037 -0.290 0.000 0.627 512 A CB -1.290 17.301 19.000 -0.681 0.000 0.818 512 A HN 0.441 nan 8.150 nan 0.000 0.445 513 G N -0.943 107.764 108.800 -0.154 0.000 2.402 513 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 513 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 513 G C 1.727 176.588 174.900 -0.064 0.000 1.162 513 G CA 0.860 45.912 45.100 -0.081 0.000 0.777 513 G HN 0.450 nan 8.290 nan 0.000 0.539 514 R N 0.502 120.958 120.500 -0.074 0.000 2.105 514 R HA -0.024 4.316 4.340 0.000 0.000 0.239 514 R C 2.510 178.779 176.300 -0.052 0.000 1.135 514 R CA 1.118 57.183 56.100 -0.058 0.000 0.967 514 R CB -0.475 29.789 30.300 -0.060 0.000 0.861 514 R HN 0.456 nan 8.270 nan 0.000 0.442 515 I N 0.811 121.346 120.570 -0.059 0.000 2.226 515 I HA -0.307 3.863 4.170 0.000 0.000 0.245 515 I C 2.213 178.309 176.117 -0.035 0.000 1.100 515 I CA 0.843 62.115 61.300 -0.046 0.000 1.374 515 I CB -0.228 37.742 38.000 -0.050 0.000 1.057 515 I HN 0.113 nan 8.210 nan 0.000 0.413 516 I N 1.028 121.577 120.570 -0.034 0.000 2.226 516 I HA -0.254 3.916 4.170 0.000 0.000 0.245 516 I C 2.850 178.954 176.117 -0.022 0.000 1.100 516 I CA 1.691 62.977 61.300 -0.023 0.000 1.374 516 I CB -1.558 36.431 38.000 -0.018 0.000 1.057 516 I HN 0.183 nan 8.210 nan 0.000 0.413 517 A N 0.451 123.255 122.820 -0.027 0.000 1.902 517 A HA -0.197 4.123 4.320 0.000 0.000 0.217 517 A C 2.231 179.799 177.584 -0.027 0.000 1.181 517 A CA 1.443 53.464 52.037 -0.027 0.000 0.623 517 A CB -0.608 18.373 19.000 -0.031 0.000 0.818 517 A HN 0.470 nan 8.150 nan 0.000 0.443 518 E N -0.896 119.287 120.200 -0.028 0.000 2.204 518 E HA -0.106 4.244 4.350 0.000 0.000 0.194 518 E C 1.946 178.532 176.600 -0.023 0.000 0.989 518 E CA 1.398 57.782 56.400 -0.027 0.000 0.824 518 E CB -0.185 29.498 29.700 -0.028 0.000 0.756 518 E HN 0.629 nan 8.360 nan 0.000 0.477 519 T N 0.692 115.233 114.554 -0.021 0.000 2.698 519 T HA -0.112 4.238 4.350 0.000 0.000 0.260 519 T C 2.174 176.864 174.700 -0.016 0.000 1.044 519 T CA 1.543 63.633 62.100 -0.017 0.000 1.149 519 T CB -0.150 68.709 68.868 -0.014 0.000 0.864 519 T HN 0.190 nan 8.240 nan 0.000 0.419 520 V N 2.134 122.039 119.914 -0.016 0.000 3.129 520 V HA 0.031 4.151 4.120 0.000 0.000 0.259 520 V C 2.320 178.403 176.094 -0.019 0.000 1.116 520 V CA 1.079 63.370 62.300 -0.015 0.000 1.127 520 V CB -1.049 30.766 31.823 -0.013 0.000 0.742 520 V HN 0.478 nan 8.190 nan 0.000 0.474 521 R N 2.772 123.259 120.500 -0.022 0.000 2.249 521 R HA -0.134 4.206 4.340 0.000 0.000 0.230 521 R C 2.015 178.299 176.300 -0.027 0.000 1.121 521 R CA 1.779 57.864 56.100 -0.026 0.000 0.997 521 R CB -1.208 29.074 30.300 -0.029 0.000 0.867 521 R HN 0.706 nan 8.270 nan 0.000 0.465 522 S N 0.292 115.978 115.700 -0.024 0.000 2.515 522 S HA -0.083 4.387 4.470 0.000 0.000 0.231 522 S C 1.732 176.317 174.600 -0.025 0.000 0.987 522 S CA 0.864 59.049 58.200 -0.024 0.000 0.936 522 S CB -0.055 63.133 63.200 -0.020 0.000 0.766 522 S HN 0.588 nan 8.310 nan 0.000 0.528 523 T N -0.685 113.855 114.554 -0.023 0.000 3.044 523 T HA 0.390 4.740 4.350 0.000 0.000 0.250 523 T C 0.513 175.196 174.700 -0.027 0.000 1.081 523 T CA -0.476 61.611 62.100 -0.021 0.000 1.040 523 T CB -0.500 68.359 68.868 -0.014 0.000 0.962 523 T HN 0.301 nan 8.240 nan 0.000 0.506 524 L N 2.219 123.423 121.223 -0.032 0.000 2.456 524 L HA 0.504 4.844 4.340 0.000 0.000 0.272 524 L C 1.195 178.034 176.870 -0.051 0.000 1.189 524 L CA 0.942 55.760 54.840 -0.036 0.000 0.846 524 L CB -0.158 41.879 42.059 -0.037 0.000 1.111 524 L HN 0.670 nan 8.230 nan 0.000 0.475 525 G N 3.180 111.950 108.800 -0.050 0.000 2.663 525 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 525 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 525 G C -2.403 172.440 174.900 -0.095 0.000 1.246 525 G CA -0.728 44.327 45.100 -0.076 0.000 0.795 525 G HN 0.472 nan 8.290 nan 0.000 0.627 526 P HA -0.009 nan 4.420 nan 0.000 0.218 526 P C 1.256 178.367 177.300 -0.315 0.000 1.148 526 P CA 1.296 64.289 63.100 -0.177 0.000 0.822 526 P CB 0.158 31.708 31.700 -0.251 0.000 0.784 527 K N -0.329 119.845 120.400 -0.378 0.000 2.576 527 K HA 0.293 4.613 4.320 0.000 0.000 0.209 527 K C 0.957 177.470 176.600 -0.145 0.000 1.049 527 K CA -0.126 55.992 56.287 -0.281 0.000 1.140 527 K CB -0.025 32.274 32.500 -0.335 0.000 0.871 527 K HN 0.057 nan 8.250 nan 0.000 0.479 528 G N 0.846 109.581 108.800 -0.109 0.000 2.634 528 G HA2 0.237 4.197 3.960 0.000 0.000 0.255 528 G HA3 0.237 4.197 3.960 0.000 0.000 0.255 528 G C 0.281 175.153 174.900 -0.046 0.000 1.205 528 G CA -0.393 44.667 45.100 -0.067 0.000 0.884 528 G HN -0.027 nan 8.290 nan 0.000 0.549 529 M N -0.150 119.430 119.600 -0.034 0.000 2.679 529 M HA 0.441 4.921 4.480 0.000 0.000 0.287 529 M C -0.588 175.704 176.300 -0.013 0.000 1.202 529 M CA -0.640 54.647 55.300 -0.022 0.000 0.911 529 M CB 1.272 33.860 32.600 -0.021 0.000 1.556 529 M HN 0.344 nan 8.290 nan 0.000 0.511 530 D N 0.140 120.536 120.400 -0.007 0.000 2.449 530 D HA 0.601 5.241 4.640 0.000 0.000 0.250 530 D C -0.698 175.602 176.300 0.001 0.000 1.050 530 D CA -0.418 53.582 54.000 0.000 0.000 1.024 530 D CB 1.494 42.299 40.800 0.007 0.000 1.218 530 D HN 0.263 nan 8.370 nan 0.000 0.566 531 K N 0.133 120.536 120.400 0.006 0.000 2.385 531 K HA 0.547 4.867 4.320 0.000 0.000 0.248 531 K C -0.799 175.810 176.600 0.016 0.000 0.955 531 K CA -0.814 55.477 56.287 0.007 0.000 0.816 531 K CB 2.824 35.327 32.500 0.005 0.000 1.250 531 K HN 0.276 nan 8.250 nan 0.000 0.434 532 M N 3.497 123.106 119.600 0.015 0.000 2.078 532 M HA 0.314 4.794 4.480 0.000 0.000 0.320 532 M C -1.872 174.442 176.300 0.024 0.000 0.969 532 M CA -0.960 54.355 55.300 0.025 0.000 0.929 532 M CB 0.581 33.189 32.600 0.014 0.000 1.504 532 M HN 0.396 nan 8.290 nan 0.000 0.419 533 L N 5.473 126.715 121.223 0.032 0.000 2.322 533 L HA 0.626 4.966 4.340 0.000 0.000 0.281 533 L C -0.880 176.009 176.870 0.032 0.000 1.014 533 L CA -0.451 54.405 54.840 0.025 0.000 0.815 533 L CB 2.164 44.234 42.059 0.019 0.000 1.247 533 L HN 0.434 nan 8.230 nan 0.000 0.421 534 V N 2.795 122.725 119.914 0.026 0.000 2.378 534 V HA 0.358 4.478 4.120 0.000 0.000 0.288 534 V C -0.313 175.793 176.094 0.019 0.000 1.016 534 V CA -0.974 61.342 62.300 0.028 0.000 0.840 534 V CB 1.448 33.287 31.823 0.026 0.000 0.994 534 V HN 0.841 nan 8.190 nan 0.000 0.431 535 D N 3.486 123.896 120.400 0.017 0.000 2.398 535 D HA 0.003 4.643 4.640 0.000 0.000 0.264 535 D C 1.031 177.337 176.300 0.010 0.000 1.263 535 D CA -0.220 53.787 54.000 0.011 0.000 1.037 535 D CB 0.470 41.274 40.800 0.007 0.000 1.101 535 D HN 0.570 nan 8.370 nan 0.000 0.551 536 D N -0.850 119.554 120.400 0.007 0.000 2.348 536 D HA -0.122 4.518 4.640 0.000 0.000 0.216 536 D C 1.660 177.964 176.300 0.006 0.000 0.970 536 D CA 0.502 54.506 54.000 0.006 0.000 0.889 536 D CB -0.155 40.648 40.800 0.005 0.000 0.912 536 D HN 0.381 nan 8.370 nan 0.000 0.524 537 L N -0.849 120.378 121.223 0.007 0.000 2.554 537 L HA 0.306 4.646 4.340 0.000 0.000 0.225 537 L C 1.849 178.725 176.870 0.010 0.000 1.104 537 L CA 0.542 55.386 54.840 0.006 0.000 0.866 537 L CB 0.257 42.318 42.059 0.004 0.000 1.047 537 L HN 0.298 nan 8.230 nan 0.000 0.468 538 G N -0.368 108.440 108.800 0.013 0.000 2.218 538 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 538 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 538 G C 0.116 175.034 174.900 0.029 0.000 0.994 538 G CA -0.021 45.091 45.100 0.020 0.000 0.637 538 G HN 0.313 nan 8.290 nan 0.000 0.505 539 D N 1.034 121.447 120.400 0.022 0.000 2.455 539 D HA 0.394 5.034 4.640 0.000 0.000 0.241 539 D C 0.485 176.812 176.300 0.045 0.000 1.138 539 D CA 0.269 54.283 54.000 0.024 0.000 0.877 539 D CB 1.237 42.035 40.800 -0.003 0.000 1.187 539 D HN 0.273 nan 8.370 nan 0.000 0.451 540 V N 4.372 124.342 119.914 0.095 0.000 2.398 540 V HA 0.350 4.470 4.120 0.000 0.000 0.286 540 V C 0.140 176.326 176.094 0.154 0.000 1.026 540 V CA -0.806 61.593 62.300 0.165 0.000 0.868 540 V CB 1.703 33.688 31.823 0.270 0.000 0.982 540 V HN 0.346 nan 8.190 nan 0.000 0.443 541 V N 5.484 125.464 119.914 0.109 0.000 2.495 541 V HA 0.465 4.585 4.120 0.000 0.000 0.298 541 V C -0.250 175.907 176.094 0.105 0.000 1.031 541 V CA -0.646 61.697 62.300 0.070 0.000 0.871 541 V CB 2.144 33.980 31.823 0.022 0.000 0.988 541 V HN 0.598 nan 8.190 nan 0.000 0.432 542 V N 4.195 124.181 119.914 0.120 0.000 2.347 542 V HA 0.689 4.809 4.120 0.000 0.000 0.280 542 V C 0.140 176.265 176.094 0.051 0.000 1.021 542 V CA 0.058 62.413 62.300 0.091 0.000 0.847 542 V CB 1.379 33.270 31.823 0.115 0.000 0.990 542 V HN 1.004 nan 8.190 nan 0.000 0.444 543 T N 2.926 117.501 114.554 0.034 0.000 2.821 543 T HA 0.327 4.677 4.350 0.000 0.000 0.306 543 T C 0.232 174.941 174.700 0.015 0.000 1.313 543 T CA -0.416 61.697 62.100 0.022 0.000 1.012 543 T CB 1.991 70.869 68.868 0.016 0.000 1.298 543 T HN 0.634 nan 8.240 nan 0.000 0.502 544 N N 1.045 119.752 118.700 0.011 0.000 2.210 544 N HA 0.093 4.833 4.740 0.000 0.000 0.203 544 N C -0.788 174.724 175.510 0.004 0.000 1.175 544 N CA -0.021 53.033 53.050 0.006 0.000 0.894 544 N CB 0.493 38.983 38.487 0.006 0.000 1.041 544 N HN 0.571 nan 8.380 nan 0.000 0.506 545 D N 0.285 120.688 120.400 0.006 0.000 2.412 545 D HA 0.148 4.788 4.640 0.000 0.000 0.257 545 D C 1.386 177.688 176.300 0.003 0.000 1.217 545 D CA 0.267 54.269 54.000 0.004 0.000 0.897 545 D CB 1.079 41.882 40.800 0.005 0.000 1.132 545 D HN 0.305 nan 8.370 nan 0.000 0.493 546 G N 1.817 110.618 108.800 0.001 0.000 2.421 546 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 546 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 546 G C 1.584 176.485 174.900 0.001 0.000 1.171 546 G CA 0.361 45.461 45.100 -0.001 0.000 0.775 546 G HN 0.471 nan 8.290 nan 0.000 0.543 547 V N 0.852 120.768 119.914 0.002 0.000 2.490 547 V HA -0.151 3.969 4.120 0.000 0.000 0.250 547 V C 2.953 179.049 176.094 0.003 0.000 1.061 547 V CA 2.901 65.203 62.300 0.003 0.000 1.064 547 V CB -0.626 31.199 31.823 0.004 0.000 0.670 547 V HN 0.414 nan 8.190 nan 0.000 0.461 548 T N 0.823 115.378 114.554 0.003 0.000 2.812 548 T HA -0.053 4.297 4.350 0.000 0.000 0.264 548 T C 1.849 176.551 174.700 0.004 0.000 1.042 548 T CA 1.620 63.722 62.100 0.003 0.000 1.140 548 T CB -0.186 68.685 68.868 0.004 0.000 0.870 548 T HN 0.331 nan 8.240 nan 0.000 0.445 549 I N 0.970 121.543 120.570 0.004 0.000 2.179 549 I HA -0.069 4.101 4.170 0.000 0.000 0.242 549 I C 2.176 178.296 176.117 0.004 0.000 1.088 549 I CA 1.223 62.526 61.300 0.004 0.000 1.357 549 I CB -1.196 36.805 38.000 0.002 0.000 1.051 549 I HN 0.214 nan 8.210 nan 0.000 0.409 550 L N 0.170 121.395 121.223 0.004 0.000 2.179 550 L HA -0.041 4.299 4.340 0.000 0.000 0.208 550 L C 2.606 179.480 176.870 0.006 0.000 1.096 550 L CA 1.337 56.179 54.840 0.005 0.000 0.779 550 L CB -0.964 41.098 42.059 0.004 0.000 0.922 550 L HN 0.179 nan 8.230 nan 0.000 0.443 551 R N -0.132 120.371 120.500 0.005 0.000 2.066 551 R HA -0.118 4.222 4.340 0.000 0.000 0.232 551 R C 1.934 178.237 176.300 0.005 0.000 1.131 551 R CA 1.340 57.443 56.100 0.005 0.000 0.955 551 R CB 0.033 30.336 30.300 0.004 0.000 0.851 551 R HN 0.355 nan 8.270 nan 0.000 0.432 552 E N 0.923 121.126 120.200 0.005 0.000 2.076 552 E HA -0.063 4.287 4.350 0.000 0.000 0.190 552 E C 1.257 177.862 176.600 0.007 0.000 0.979 552 E CA 0.512 56.916 56.400 0.006 0.000 0.807 552 E CB -0.255 29.449 29.700 0.006 0.000 0.761 552 E HN 0.435 nan 8.360 nan 0.000 0.454 553 M N -0.098 119.506 119.600 0.007 0.000 2.219 553 M HA 0.069 4.549 4.480 0.000 0.000 0.307 553 M C 0.459 176.764 176.300 0.009 0.000 1.116 553 M CA 0.503 55.808 55.300 0.008 0.000 1.181 553 M CB 0.549 33.153 32.600 0.007 0.000 1.410 553 M HN -0.268 nan 8.290 nan 0.000 0.454 554 S N 2.247 117.952 115.700 0.010 0.000 2.512 554 S HA 0.467 4.937 4.470 0.000 0.000 0.291 554 S C -0.757 173.852 174.600 0.015 0.000 1.151 554 S CA -0.808 57.399 58.200 0.011 0.000 1.120 554 S CB -0.139 63.067 63.200 0.010 0.000 1.029 554 S HN 0.530 nan 8.310 nan 0.000 0.485 555 V N 5.098 125.023 119.914 0.018 0.000 2.607 555 V HA 0.375 4.495 4.120 0.000 0.000 0.289 555 V C 0.858 176.971 176.094 0.033 0.000 1.053 555 V CA -0.308 62.009 62.300 0.028 0.000 0.996 555 V CB 1.565 33.406 31.823 0.030 0.000 0.995 555 V HN 0.751 nan 8.190 nan 0.000 0.476 556 E N 0.945 121.174 120.200 0.049 0.000 2.228 556 E HA 0.077 4.427 4.350 0.000 0.000 0.197 556 E C 0.714 177.348 176.600 0.055 0.000 0.909 556 E CA 0.158 56.585 56.400 0.044 0.000 0.911 556 E CB -0.047 29.678 29.700 0.043 0.000 0.887 556 E HN 0.701 nan 8.360 nan 0.000 0.481 557 H N 2.439 121.510 119.070 0.001 0.000 2.764 557 H HA 0.050 4.606 4.556 -0.000 0.000 0.341 557 H C -1.750 173.578 175.328 -0.001 0.000 1.072 557 H CA -1.489 54.560 56.048 0.001 0.000 1.444 557 H CB 1.604 31.363 29.762 -0.004 0.000 1.458 557 H HN -0.209 nan 8.280 nan 0.000 0.572 558 P HA -0.137 nan 4.420 nan 0.000 0.215 558 P C 1.043 178.446 177.300 0.172 0.000 1.153 558 P CA 2.172 65.286 63.100 0.024 0.000 0.853 558 P CB 0.096 31.743 31.700 -0.089 0.000 0.788 559 A N -0.126 122.954 122.820 0.433 0.000 1.898 559 A HA -0.041 4.279 4.320 0.000 0.000 0.216 559 A C 2.311 179.950 177.584 0.092 0.000 1.181 559 A CA 1.880 54.042 52.037 0.208 0.000 0.620 559 A CB -1.552 17.517 19.000 0.114 0.000 0.819 559 A HN 0.185 nan 8.150 nan 0.000 0.442 560 A N -0.153 122.726 122.820 0.099 0.000 1.972 560 A HA -0.130 4.190 4.320 0.000 0.000 0.219 560 A C 2.053 179.665 177.584 0.046 0.000 1.169 560 A CA 1.700 53.759 52.037 0.036 0.000 0.635 560 A CB -0.375 18.641 19.000 0.028 0.000 0.810 560 A HN 0.540 nan 8.150 nan 0.000 0.446 561 K N -0.915 119.527 120.400 0.070 0.000 2.211 561 K HA -0.030 4.290 4.320 0.000 0.000 0.203 561 K C 1.791 178.411 176.600 0.034 0.000 1.050 561 K CA 1.108 57.421 56.287 0.044 0.000 0.945 561 K CB -0.181 32.343 32.500 0.040 0.000 0.732 561 K HN 0.354 nan 8.250 nan 0.000 0.451 562 M N 0.232 119.856 119.600 0.039 0.000 2.229 562 M HA -0.092 4.388 4.480 0.000 0.000 0.264 562 M C 1.861 178.173 176.300 0.021 0.000 1.063 562 M CA 1.222 56.539 55.300 0.029 0.000 1.114 562 M CB -0.656 31.963 32.600 0.031 0.000 1.387 562 M HN 0.073 nan 8.290 nan 0.000 0.420 563 L N -0.018 121.215 121.223 0.017 0.000 2.201 563 L HA -0.061 4.279 4.340 0.000 0.000 0.212 563 L C 2.255 179.131 176.870 0.010 0.000 1.105 563 L CA 1.194 56.040 54.840 0.010 0.000 0.775 563 L CB -0.810 41.250 42.059 0.002 0.000 0.913 563 L HN 0.214 nan 8.230 nan 0.000 0.440 564 I N -0.940 119.638 120.570 0.012 0.000 2.226 564 I HA -0.270 3.900 4.170 0.000 0.000 0.245 564 I C 2.458 178.582 176.117 0.011 0.000 1.100 564 I CA 1.001 62.307 61.300 0.011 0.000 1.374 564 I CB -0.145 37.863 38.000 0.013 0.000 1.057 564 I HN 0.230 nan 8.210 nan 0.000 0.413 565 E N 0.867 121.075 120.200 0.014 0.000 2.110 565 E HA -0.156 4.194 4.350 0.000 0.000 0.193 565 E C 2.130 178.738 176.600 0.014 0.000 0.988 565 E CA 1.128 57.536 56.400 0.013 0.000 0.804 565 E CB -0.089 29.620 29.700 0.015 0.000 0.745 565 E HN 0.241 nan 8.360 nan 0.000 0.458 566 V N 0.600 120.523 119.914 0.015 0.000 2.343 566 V HA -0.268 3.852 4.120 0.000 0.000 0.247 566 V C 2.320 178.421 176.094 0.012 0.000 1.051 566 V CA 1.846 64.155 62.300 0.015 0.000 1.036 566 V CB -0.901 30.931 31.823 0.015 0.000 0.654 566 V HN 0.443 nan 8.190 nan 0.000 0.451 567 A N -0.507 122.319 122.820 0.009 0.000 1.930 567 A HA -0.205 4.115 4.320 0.000 0.000 0.217 567 A C 2.299 179.887 177.584 0.007 0.000 1.175 567 A CA 1.759 53.800 52.037 0.007 0.000 0.627 567 A CB -0.377 18.626 19.000 0.005 0.000 0.815 567 A HN 0.538 nan 8.150 nan 0.000 0.443 568 K N -0.576 119.829 120.400 0.008 0.000 2.097 568 K HA -0.100 4.220 4.320 0.000 0.000 0.205 568 K C 2.229 178.834 176.600 0.008 0.000 1.050 568 K CA 1.717 58.009 56.287 0.007 0.000 0.938 568 K CB -0.309 32.196 32.500 0.008 0.000 0.718 568 K HN 0.732 nan 8.250 nan 0.000 0.442 569 T N -1.202 113.358 114.554 0.010 0.000 2.904 569 T HA -0.140 4.210 4.350 0.000 0.000 0.267 569 T C 2.001 176.707 174.700 0.011 0.000 1.059 569 T CA 0.844 62.951 62.100 0.011 0.000 1.137 569 T CB 0.004 68.880 68.868 0.014 0.000 0.879 569 T HN 0.012 nan 8.240 nan 0.000 0.467 570 Q N 1.337 121.144 119.800 0.011 0.000 2.083 570 Q HA -0.055 4.285 4.340 0.000 0.000 0.198 570 Q C 2.394 178.398 176.000 0.008 0.000 0.969 570 Q CA 1.570 57.379 55.803 0.010 0.000 0.838 570 Q CB -0.415 28.329 28.738 0.009 0.000 0.900 570 Q HN 0.625 nan 8.270 nan 0.000 0.436 571 E N 0.543 120.747 120.200 0.007 0.000 2.051 571 E HA -0.237 4.113 4.350 0.000 0.000 0.192 571 E C 1.815 178.418 176.600 0.005 0.000 0.991 571 E CA 1.479 57.882 56.400 0.005 0.000 0.799 571 E CB -0.137 29.566 29.700 0.004 0.000 0.748 571 E HN 0.368 nan 8.360 nan 0.000 0.449 572 K N 0.166 120.569 120.400 0.005 0.000 2.057 572 K HA -0.203 4.117 4.320 0.000 0.000 0.207 572 K C 2.181 178.784 176.600 0.005 0.000 1.049 572 K CA 1.768 58.058 56.287 0.005 0.000 0.931 572 K CB -0.058 32.446 32.500 0.005 0.000 0.714 572 K HN -0.066 nan 8.250 nan 0.000 0.440 573 E N -0.415 119.789 120.200 0.007 0.000 2.086 573 E HA -0.058 4.292 4.350 0.000 0.000 0.190 573 E C 1.564 178.168 176.600 0.008 0.000 0.975 573 E CA 1.109 57.514 56.400 0.008 0.000 0.813 573 E CB 0.356 30.062 29.700 0.010 0.000 0.768 573 E HN 0.132 nan 8.360 nan 0.000 0.457 574 V N -1.591 118.328 119.914 0.008 0.000 2.806 574 V HA 0.391 4.511 4.120 0.000 0.000 0.239 574 V C 1.657 177.755 176.094 0.008 0.000 1.113 574 V CA 0.850 63.155 62.300 0.008 0.000 1.137 574 V CB 0.395 32.224 31.823 0.010 0.000 0.865 574 V HN 0.506 nan 8.190 nan 0.000 0.482 575 G N 0.131 108.935 108.800 0.007 0.000 4.391 575 G HA2 -0.232 3.728 3.960 0.000 0.000 0.210 575 G HA3 -0.232 3.728 3.960 0.000 0.000 0.210 575 G C 0.144 175.048 174.900 0.007 0.000 1.547 575 G CA 0.279 45.383 45.100 0.006 0.000 1.103 575 G HN 0.441 nan 8.290 nan 0.000 0.637 576 D N 1.705 122.110 120.400 0.008 0.000 2.387 576 D HA 0.481 5.121 4.640 0.000 0.000 0.251 576 D C 1.417 177.722 176.300 0.007 0.000 1.141 576 D CA 1.264 55.269 54.000 0.009 0.000 0.987 576 D CB 0.808 41.615 40.800 0.011 0.000 1.116 576 D HN 1.721 nan 8.370 nan 0.000 0.491 577 G N 0.432 109.235 108.800 0.006 0.000 2.143 577 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 577 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 577 G C 1.010 175.911 174.900 0.001 0.000 0.981 577 G CA 1.205 46.307 45.100 0.003 0.000 0.665 577 G HN 0.613 nan 8.290 nan 0.000 0.528 578 T N -3.140 111.415 114.554 0.002 0.000 2.821 578 T HA -0.042 4.308 4.350 0.000 0.000 0.267 578 T C 2.206 176.905 174.700 -0.002 0.000 1.046 578 T CA 2.432 64.533 62.100 0.002 0.000 1.139 578 T CB -0.411 68.458 68.868 0.002 0.000 0.871 578 T HN 0.276 nan 8.240 nan 0.000 0.454 579 T N 1.895 116.446 114.554 -0.005 0.000 2.812 579 T HA -0.043 4.307 4.350 0.000 0.000 0.264 579 T C 2.235 176.926 174.700 -0.014 0.000 1.042 579 T CA 1.639 63.733 62.100 -0.010 0.000 1.140 579 T CB -0.844 68.017 68.868 -0.012 0.000 0.870 579 T HN 0.482 nan 8.240 nan 0.000 0.445 580 T N 2.181 116.727 114.554 -0.013 0.000 2.684 580 T HA -0.097 4.253 4.350 0.000 0.000 0.267 580 T C 2.384 177.072 174.700 -0.018 0.000 1.036 580 T CA 1.311 63.400 62.100 -0.018 0.000 1.148 580 T CB -0.546 68.314 68.868 -0.014 0.000 0.863 580 T HN 0.436 nan 8.240 nan 0.000 0.436 581 A N 0.741 123.556 122.820 -0.009 0.000 1.902 581 A HA -0.028 4.292 4.320 0.000 0.000 0.217 581 A C 2.592 180.173 177.584 -0.006 0.000 1.181 581 A CA 1.358 53.393 52.037 -0.003 0.000 0.623 581 A CB -0.894 18.109 19.000 0.006 0.000 0.818 581 A HN 0.365 nan 8.150 nan 0.000 0.443 582 V N -0.964 118.945 119.914 -0.007 0.000 2.323 582 V HA -0.175 3.945 4.120 0.000 0.000 0.244 582 V C 2.468 178.552 176.094 -0.017 0.000 1.041 582 V CA 1.786 64.081 62.300 -0.008 0.000 1.025 582 V CB -0.631 31.188 31.823 -0.007 0.000 0.656 582 V HN 0.375 nan 8.190 nan 0.000 0.451 583 V N -0.373 119.527 119.914 -0.023 0.000 2.515 583 V HA -0.168 3.952 4.120 0.000 0.000 0.250 583 V C 2.322 178.391 176.094 -0.042 0.000 1.058 583 V CA 1.937 64.219 62.300 -0.031 0.000 1.064 583 V CB 0.316 32.119 31.823 -0.033 0.000 0.675 583 V HN 0.386 nan 8.190 nan 0.000 0.461 584 V N 0.340 120.225 119.914 -0.048 0.000 2.358 584 V HA -0.153 3.967 4.120 0.000 0.000 0.246 584 V C 2.770 178.828 176.094 -0.061 0.000 1.047 584 V CA 1.890 64.144 62.300 -0.076 0.000 1.035 584 V CB -1.069 30.701 31.823 -0.088 0.000 0.658 584 V HN 0.618 nan 8.190 nan 0.000 0.452 585 A N 0.496 123.300 122.820 -0.027 0.000 1.933 585 A HA -0.098 4.222 4.320 0.000 0.000 0.218 585 A C 2.374 179.954 177.584 -0.006 0.000 1.175 585 A CA 1.999 54.035 52.037 -0.001 0.000 0.628 585 A CB -1.082 17.923 19.000 0.008 0.000 0.814 585 A HN 0.530 nan 8.150 nan 0.000 0.444 586 G N -0.822 107.966 108.800 -0.020 0.000 2.394 586 G HA2 -0.131 3.829 3.960 0.000 0.000 0.215 586 G HA3 -0.131 3.829 3.960 0.000 0.000 0.215 586 G C 1.463 176.348 174.900 -0.026 0.000 1.165 586 G CA 1.139 46.224 45.100 -0.026 0.000 0.784 586 G HN 0.532 nan 8.290 nan 0.000 0.535 587 E N 0.330 120.512 120.200 -0.030 0.000 2.106 587 E HA 0.034 4.384 4.350 0.000 0.000 0.192 587 E C 2.498 179.095 176.600 -0.005 0.000 0.984 587 E CA 0.474 56.856 56.400 -0.031 0.000 0.806 587 E CB -0.331 29.337 29.700 -0.054 0.000 0.750 587 E HN 0.426 nan 8.360 nan 0.000 0.458 588 L N -0.329 120.899 121.223 0.009 0.000 2.046 588 L HA -0.176 4.164 4.340 0.000 0.000 0.208 588 L C 2.132 179.075 176.870 0.122 0.000 1.077 588 L CA 0.529 55.449 54.840 0.133 0.000 0.747 588 L CB -0.384 41.770 42.059 0.158 0.000 0.896 588 L HN 0.229 nan 8.230 nan 0.000 0.432 589 L N -0.246 120.990 121.223 0.022 0.000 2.083 589 L HA -0.191 4.149 4.340 0.000 0.000 0.209 589 L C 2.703 179.557 176.870 -0.027 0.000 1.083 589 L CA 1.601 56.422 54.840 -0.033 0.000 0.752 589 L CB -0.801 41.231 42.059 -0.044 0.000 0.899 589 L HN 0.183 nan 8.230 nan 0.000 0.433 590 R N -0.652 119.842 120.500 -0.011 0.000 2.073 590 R HA -0.140 4.200 4.340 0.000 0.000 0.234 590 R C 2.103 178.408 176.300 0.007 0.000 1.134 590 R CA 1.151 57.242 56.100 -0.014 0.000 0.952 590 R CB 0.053 30.342 30.300 -0.018 0.000 0.850 590 R HN 0.132 nan 8.270 nan 0.000 0.433 591 K N 0.110 120.536 120.400 0.044 0.000 2.155 591 K HA 0.010 4.330 4.320 0.000 0.000 0.203 591 K C 1.907 178.575 176.600 0.112 0.000 1.052 591 K CA 1.089 57.424 56.287 0.080 0.000 0.948 591 K CB -0.129 32.434 32.500 0.106 0.000 0.728 591 K HN 0.258 nan 8.250 nan 0.000 0.448 592 A N 1.587 124.469 122.820 0.102 0.000 1.930 592 A HA -0.162 4.158 4.320 0.000 0.000 0.217 592 A C 2.154 179.719 177.584 -0.033 0.000 1.175 592 A CA 1.326 53.359 52.037 -0.006 0.000 0.627 592 A CB -0.236 18.623 19.000 -0.234 0.000 0.815 592 A HN 0.219 nan 8.150 nan 0.000 0.443 593 E N -0.114 120.066 120.200 -0.033 0.000 2.106 593 E HA -0.208 4.142 4.350 0.000 0.000 0.192 593 E C 1.940 178.527 176.600 -0.021 0.000 0.984 593 E CA 1.483 57.860 56.400 -0.040 0.000 0.806 593 E CB -0.099 29.572 29.700 -0.048 0.000 0.750 593 E HN 0.626 nan 8.360 nan 0.000 0.458 594 E N 0.490 120.688 120.200 -0.004 0.000 2.153 594 E HA -0.157 4.193 4.350 0.000 0.000 0.194 594 E C 2.047 178.655 176.600 0.013 0.000 0.988 594 E CA 0.598 57.000 56.400 0.004 0.000 0.811 594 E CB -0.327 29.380 29.700 0.012 0.000 0.746 594 E HN 0.182 nan 8.360 nan 0.000 0.466 595 L N -0.130 121.110 121.223 0.028 0.000 2.109 595 L HA 0.011 4.351 4.340 0.000 0.000 0.207 595 L C 2.010 178.889 176.870 0.013 0.000 1.086 595 L CA 1.421 56.284 54.840 0.038 0.000 0.760 595 L CB -0.318 41.790 42.059 0.082 0.000 0.910 595 L HN 0.240 nan 8.230 nan 0.000 0.437 596 L N -0.732 120.485 121.223 -0.010 0.000 2.141 596 L HA -0.188 4.152 4.340 0.000 0.000 0.209 596 L C 2.149 179.005 176.870 -0.023 0.000 1.094 596 L CA 1.427 56.249 54.840 -0.030 0.000 0.763 596 L CB -0.600 41.428 42.059 -0.053 0.000 0.908 596 L HN 0.317 nan 8.230 nan 0.000 0.437 597 D N -0.573 119.817 120.400 -0.017 0.000 2.178 597 D HA -0.187 4.453 4.640 0.000 0.000 0.202 597 D C 2.078 178.375 176.300 -0.004 0.000 0.974 597 D CA 0.859 54.851 54.000 -0.013 0.000 0.841 597 D CB 0.192 40.984 40.800 -0.013 0.000 0.953 597 D HN 0.144 nan 8.370 nan 0.000 0.478 598 Q N 0.188 119.989 119.800 0.002 0.000 2.482 598 Q HA 0.024 4.364 4.340 0.000 0.000 0.209 598 Q C -0.032 175.974 176.000 0.010 0.000 0.961 598 Q CA 0.272 56.080 55.803 0.008 0.000 0.945 598 Q CB -0.061 28.685 28.738 0.014 0.000 1.012 598 Q HN 0.360 nan 8.270 nan 0.000 0.515 599 N N -0.257 118.446 118.700 0.005 0.000 2.780 599 N HA -0.127 4.613 4.740 0.000 0.000 0.247 599 N C -1.184 174.340 175.510 0.024 0.000 1.076 599 N CA 0.351 53.407 53.050 0.008 0.000 0.688 599 N CB -1.629 36.866 38.487 0.014 0.000 0.957 599 N HN -0.015 nan 8.380 nan 0.000 0.551 600 V N 1.660 121.587 119.914 0.021 0.000 2.350 600 V HA 0.129 4.249 4.120 0.000 0.000 0.276 600 V C 0.982 177.101 176.094 0.041 0.000 1.028 600 V CA -0.732 61.594 62.300 0.044 0.000 0.860 600 V CB 1.438 33.289 31.823 0.046 0.000 0.990 600 V HN 0.324 nan 8.190 nan 0.000 0.453 601 H N 8.024 127.097 119.070 0.005 0.000 3.001 601 H HA 0.037 4.593 4.556 0.000 0.000 0.334 601 H C -1.698 173.629 175.328 -0.002 0.000 1.034 601 H CA -1.057 54.992 56.048 0.002 0.000 1.420 601 H CB 1.688 31.451 29.762 0.002 0.000 1.405 601 H HN 0.375 nan 8.280 nan 0.000 0.593 602 P HA -0.173 nan 4.420 nan 0.000 0.218 602 P C 1.500 178.855 177.300 0.091 0.000 1.146 602 P CA 1.696 64.737 63.100 -0.099 0.000 0.820 602 P CB 0.033 31.618 31.700 -0.191 0.000 0.778 603 T N -1.875 112.900 114.554 0.369 0.000 2.929 603 T HA -0.097 4.253 4.350 0.000 0.000 0.271 603 T C 1.505 176.274 174.700 0.116 0.000 1.085 603 T CA 0.844 63.075 62.100 0.218 0.000 1.125 603 T CB -0.472 68.483 68.868 0.145 0.000 0.874 603 T HN -0.147 nan 8.240 nan 0.000 0.494 604 I N 0.119 120.763 120.570 0.124 0.000 2.385 604 I HA 0.072 4.242 4.170 0.000 0.000 0.244 604 I C 2.561 178.730 176.117 0.086 0.000 1.089 604 I CA 0.651 62.001 61.300 0.083 0.000 1.410 604 I CB -1.528 36.521 38.000 0.082 0.000 1.117 604 I HN 0.112 nan 8.210 nan 0.000 0.429 605 V N 1.082 121.040 119.914 0.074 0.000 2.469 605 V HA -0.215 3.905 4.120 0.000 0.000 0.251 605 V C 2.548 178.675 176.094 0.056 0.000 1.064 605 V CA 1.585 63.929 62.300 0.074 0.000 1.066 605 V CB -0.086 31.698 31.823 -0.066 0.000 0.667 605 V HN 0.184 nan 8.190 nan 0.000 0.461 606 V N -0.080 119.847 119.914 0.022 0.000 2.427 606 V HA -0.235 3.885 4.120 0.000 0.000 0.248 606 V C 2.391 178.531 176.094 0.076 0.000 1.051 606 V CA 2.492 64.808 62.300 0.028 0.000 1.048 606 V CB -0.681 31.153 31.823 0.018 0.000 0.666 606 V HN 0.608 nan 8.190 nan 0.000 0.456 607 K N 0.205 120.647 120.400 0.070 0.000 2.021 607 K HA -0.068 4.252 4.320 0.000 0.000 0.205 607 K C 2.191 178.818 176.600 0.044 0.000 1.047 607 K CA 1.424 57.739 56.287 0.046 0.000 0.943 607 K CB -0.538 31.978 32.500 0.027 0.000 0.725 607 K HN 0.439 nan 8.250 nan 0.000 0.439 608 G N -0.208 108.638 108.800 0.075 0.000 2.408 608 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 608 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 608 G C 1.147 176.038 174.900 -0.015 0.000 1.150 608 G CA 0.668 45.780 45.100 0.019 0.000 0.776 608 G HN 0.285 nan 8.290 nan 0.000 0.542 609 Y N 0.408 120.678 120.300 -0.050 0.000 2.293 609 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 609 Y C 2.981 178.779 175.900 -0.169 0.000 1.137 609 Y CA 1.366 59.431 58.100 -0.058 0.000 1.202 609 Y CB -0.095 38.429 38.460 0.106 0.000 0.990 609 Y HN 0.195 nan 8.280 nan 0.000 0.537 610 Q N 0.368 120.204 119.800 0.060 0.000 2.049 610 Q HA -0.140 4.200 4.340 0.000 0.000 0.198 610 Q C 2.397 178.352 176.000 -0.075 0.000 0.971 610 Q CA 1.493 57.298 55.803 0.003 0.000 0.833 610 Q CB -0.314 28.440 28.738 0.027 0.000 0.896 610 Q HN 0.444 nan 8.270 nan 0.000 0.434 611 A N 0.922 123.693 122.820 -0.082 0.000 1.877 611 A HA -0.086 4.234 4.320 0.000 0.000 0.216 611 A C 2.326 179.879 177.584 -0.051 0.000 1.186 611 A CA 2.176 54.184 52.037 -0.048 0.000 0.620 611 A CB -0.919 18.027 19.000 -0.090 0.000 0.822 611 A HN 0.495 nan 8.150 nan 0.000 0.443 612 A N -0.352 122.286 122.820 -0.302 0.000 1.930 612 A HA 0.220 4.540 4.320 0.000 0.000 0.217 612 A C 2.479 179.596 177.584 -0.779 0.000 1.175 612 A CA 1.945 53.662 52.037 -0.533 0.000 0.627 612 A CB -0.918 17.508 19.000 -0.957 0.000 0.815 612 A HN 1.019 nan 8.150 nan 0.000 0.443 613 A N -0.786 121.508 122.820 -0.876 0.000 1.898 613 A HA -0.195 4.125 4.320 0.000 0.000 0.216 613 A C 2.187 179.706 177.584 -0.107 0.000 1.181 613 A CA 1.738 53.562 52.037 -0.356 0.000 0.620 613 A CB -0.559 18.383 19.000 -0.097 0.000 0.819 613 A HN 0.643 nan 8.150 nan 0.000 0.442 614 Q N -0.700 119.043 119.800 -0.095 0.000 2.119 614 Q HA -0.225 4.115 4.340 0.000 0.000 0.201 614 Q C 2.018 177.989 176.000 -0.048 0.000 0.972 614 Q CA 1.903 57.684 55.803 -0.037 0.000 0.847 614 Q CB -0.063 28.666 28.738 -0.015 0.000 0.903 614 Q HN 0.453 nan 8.270 nan 0.000 0.433 615 K N 0.271 120.627 120.400 -0.073 0.000 2.103 615 K HA 0.001 4.321 4.320 0.000 0.000 0.204 615 K C 1.698 178.247 176.600 -0.086 0.000 1.052 615 K CA 1.302 57.505 56.287 -0.140 0.000 0.945 615 K CB -0.472 31.855 32.500 -0.288 0.000 0.722 615 K HN 0.266 nan 8.250 nan 0.000 0.443 616 A N 0.696 123.496 122.820 -0.033 0.000 1.933 616 A HA -0.227 4.093 4.320 0.000 0.000 0.218 616 A C 2.205 179.812 177.584 0.039 0.000 1.175 616 A CA 1.832 53.901 52.037 0.053 0.000 0.628 616 A CB -0.637 18.483 19.000 0.199 0.000 0.814 616 A HN 0.580 nan 8.150 nan 0.000 0.444 617 Q N -0.344 119.471 119.800 0.025 0.000 2.084 617 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 617 Q C 1.898 177.898 176.000 0.001 0.000 0.978 617 Q CA 1.822 57.637 55.803 0.020 0.000 0.844 617 Q CB -0.158 28.590 28.738 0.017 0.000 0.898 617 Q HN 0.788 nan 8.270 nan 0.000 0.426 618 E N 0.227 120.415 120.200 -0.020 0.000 2.110 618 E HA -0.168 4.182 4.350 0.000 0.000 0.193 618 E C 2.145 178.728 176.600 -0.028 0.000 0.988 618 E CA 1.040 57.421 56.400 -0.031 0.000 0.804 618 E CB -0.042 29.623 29.700 -0.058 0.000 0.745 618 E HN 0.393 nan 8.360 nan 0.000 0.458 619 L N 0.616 121.821 121.223 -0.030 0.000 2.056 619 L HA -0.188 4.152 4.340 0.000 0.000 0.207 619 L C 2.434 179.307 176.870 0.004 0.000 1.078 619 L CA 0.836 55.666 54.840 -0.017 0.000 0.749 619 L CB -0.345 41.705 42.059 -0.015 0.000 0.901 619 L HN 0.174 nan 8.230 nan 0.000 0.433 620 L N -0.378 120.852 121.223 0.011 0.000 2.046 620 L HA -0.211 4.129 4.340 0.000 0.000 0.208 620 L C 2.590 179.467 176.870 0.012 0.000 1.077 620 L CA 1.386 56.235 54.840 0.016 0.000 0.747 620 L CB -0.432 41.640 42.059 0.021 0.000 0.896 620 L HN 0.211 nan 8.230 nan 0.000 0.432 621 K N -0.809 119.595 120.400 0.006 0.000 2.217 621 K HA -0.080 4.240 4.320 0.000 0.000 0.202 621 K C 2.057 178.657 176.600 0.001 0.000 1.051 621 K CA 1.436 57.725 56.287 0.004 0.000 0.952 621 K CB -0.137 32.362 32.500 -0.000 0.000 0.736 621 K HN 0.276 nan 8.250 nan 0.000 0.453 622 T N 2.060 116.613 114.554 -0.002 0.000 2.737 622 T HA -0.077 4.273 4.350 0.000 0.000 0.265 622 T C 1.899 176.601 174.700 0.005 0.000 1.038 622 T CA 1.316 63.414 62.100 -0.003 0.000 1.144 622 T CB -0.148 68.714 68.868 -0.010 0.000 0.866 622 T HN 0.376 nan 8.240 nan 0.000 0.434 623 I N -0.027 120.551 120.570 0.014 0.000 3.251 623 I HA 0.395 4.565 4.170 0.000 0.000 0.277 623 I C 1.114 177.242 176.117 0.018 0.000 1.268 623 I CA -0.447 60.866 61.300 0.022 0.000 1.449 623 I CB -0.557 37.468 38.000 0.042 0.000 1.083 623 I HN -0.040 nan 8.210 nan 0.000 0.464 624 A N 1.575 124.403 122.820 0.014 0.000 2.566 624 A HA 0.123 4.443 4.320 0.000 0.000 0.245 624 A C 0.112 177.702 177.584 0.010 0.000 1.056 624 A CA -0.004 52.040 52.037 0.013 0.000 0.757 624 A CB -0.300 18.706 19.000 0.010 0.000 0.979 624 A HN 0.639 nan 8.150 nan 0.000 0.508 625 C N 3.472 122.778 119.300 0.011 0.000 2.295 625 C HA 0.481 4.941 4.460 0.000 0.000 0.331 625 C C 0.524 175.518 174.990 0.007 0.000 1.280 625 C CA -0.652 58.371 59.018 0.008 0.000 1.746 625 C CB -0.296 27.450 27.740 0.009 0.000 2.328 625 C HN 0.945 nan 8.230 nan 0.000 0.521 626 E N 3.806 124.009 120.200 0.005 0.000 2.366 626 E HA 0.424 4.774 4.350 0.000 0.000 0.266 626 E C -0.259 176.344 176.600 0.004 0.000 1.015 626 E CA -0.025 56.377 56.400 0.004 0.000 0.906 626 E CB 0.728 30.430 29.700 0.003 0.000 0.979 626 E HN 0.716 nan 8.360 nan 0.000 0.443 627 V N 1.048 120.965 119.914 0.005 0.000 3.102 627 V HA 0.718 4.838 4.120 0.000 0.000 0.312 627 V C 0.363 176.459 176.094 0.004 0.000 1.135 627 V CA -0.687 61.616 62.300 0.004 0.000 1.022 627 V CB 1.506 33.332 31.823 0.005 0.000 1.056 627 V HN 0.702 nan 8.190 nan 0.000 0.436 628 G N 0.532 109.334 108.800 0.003 0.000 2.313 628 G HA2 0.460 4.420 3.960 0.000 0.000 0.250 628 G HA3 0.460 4.420 3.960 0.000 0.000 0.250 628 G C 0.990 175.892 174.900 0.004 0.000 1.281 628 G CA 0.223 45.325 45.100 0.003 0.000 0.917 628 G HN 1.661 nan 8.290 nan 0.000 0.501 629 A N 2.541 125.363 122.820 0.004 0.000 1.908 629 A HA -0.093 4.227 4.320 0.000 0.000 0.218 629 A C 2.057 179.644 177.584 0.004 0.000 1.181 629 A CA 1.299 53.339 52.037 0.004 0.000 0.627 629 A CB -0.068 18.934 19.000 0.004 0.000 0.818 629 A HN 0.568 nan 8.150 nan 0.000 0.445 630 Q N -0.318 119.485 119.800 0.004 0.000 2.198 630 Q HA 0.058 4.398 4.340 0.000 0.000 0.209 630 Q C -0.733 175.270 176.000 0.004 0.000 0.848 630 Q CA -0.111 55.694 55.803 0.004 0.000 0.974 630 Q CB 0.079 28.820 28.738 0.005 0.000 1.115 630 Q HN 0.745 nan 8.270 nan 0.000 0.494 631 D N 1.146 121.548 120.400 0.004 0.000 2.389 631 D HA -0.050 4.590 4.640 0.000 0.000 0.263 631 D C 1.226 177.528 176.300 0.003 0.000 1.255 631 D CA 0.144 54.146 54.000 0.003 0.000 0.914 631 D CB 0.874 41.675 40.800 0.003 0.000 1.116 631 D HN -0.227 nan 8.370 nan 0.000 0.502 632 K N 3.629 124.030 120.400 0.003 0.000 2.015 632 K HA -0.300 4.020 4.320 0.000 0.000 0.220 632 K C 1.583 178.184 176.600 0.002 0.000 1.055 632 K CA 2.241 58.529 56.287 0.003 0.000 0.951 632 K CB -0.299 32.202 32.500 0.002 0.000 0.725 632 K HN 0.682 nan 8.250 nan 0.000 0.449 633 E N -0.545 119.655 120.200 0.001 0.000 2.048 633 E HA -0.243 4.107 4.350 0.000 0.000 0.202 633 E C 2.029 178.629 176.600 0.001 0.000 1.021 633 E CA 1.898 58.298 56.400 -0.001 0.000 0.825 633 E CB -0.325 29.374 29.700 -0.001 0.000 0.756 633 E HN 0.353 nan 8.360 nan 0.000 0.454 634 I N 0.359 120.931 120.570 0.002 0.000 2.493 634 I HA -0.183 3.987 4.170 0.000 0.000 0.254 634 I C 1.860 177.980 176.117 0.006 0.000 1.160 634 I CA 0.711 62.014 61.300 0.004 0.000 1.445 634 I CB 0.002 38.005 38.000 0.005 0.000 1.086 634 I HN 0.199 nan 8.210 nan 0.000 0.433 635 L N -0.103 121.123 121.223 0.005 0.000 2.156 635 L HA -0.094 4.246 4.340 0.000 0.000 0.208 635 L C 2.631 179.505 176.870 0.006 0.000 1.095 635 L CA 2.123 56.967 54.840 0.006 0.000 0.770 635 L CB -1.436 40.626 42.059 0.006 0.000 0.914 635 L HN 0.448 nan 8.230 nan 0.000 0.439 636 T N -4.400 110.157 114.554 0.004 0.000 2.942 636 T HA -0.108 4.242 4.350 0.000 0.000 0.265 636 T C 1.893 176.594 174.700 0.003 0.000 1.062 636 T CA 0.622 62.724 62.100 0.003 0.000 1.139 636 T CB -0.146 68.722 68.868 -0.000 0.000 0.883 636 T HN 0.185 nan 8.240 nan 0.000 0.468 637 K N 0.758 121.159 120.400 0.003 0.000 2.097 637 K HA 0.162 4.482 4.320 0.000 0.000 0.205 637 K C 2.158 178.766 176.600 0.014 0.000 1.050 637 K CA 1.108 57.398 56.287 0.005 0.000 0.938 637 K CB -0.334 32.168 32.500 0.004 0.000 0.718 637 K HN 0.373 nan 8.250 nan 0.000 0.442 638 I N 1.033 121.611 120.570 0.014 0.000 2.163 638 I HA -0.279 3.891 4.170 0.000 0.000 0.240 638 I C 2.530 178.659 176.117 0.020 0.000 1.081 638 I CA 1.142 62.452 61.300 0.018 0.000 1.353 638 I CB -0.393 37.616 38.000 0.014 0.000 1.054 638 I HN 0.132 nan 8.210 nan 0.000 0.407 639 A N 0.653 123.482 122.820 0.016 0.000 1.883 639 A HA -0.250 4.070 4.320 0.000 0.000 0.217 639 A C 2.380 179.977 177.584 0.021 0.000 1.186 639 A CA 1.862 53.908 52.037 0.016 0.000 0.624 639 A CB -0.636 18.371 19.000 0.012 0.000 0.822 639 A HN 0.340 nan 8.150 nan 0.000 0.444 640 M N -0.306 119.305 119.600 0.019 0.000 2.086 640 M HA -0.136 4.344 4.480 0.000 0.000 0.261 640 M C 2.449 178.777 176.300 0.048 0.000 1.067 640 M CA 2.092 57.406 55.300 0.023 0.000 1.116 640 M CB -0.778 31.824 32.600 0.004 0.000 1.348 640 M HN 0.711 nan 8.290 nan 0.000 0.407 641 T N -2.695 111.890 114.554 0.052 0.000 2.915 641 T HA -0.087 4.263 4.350 0.000 0.000 0.269 641 T C 1.869 176.609 174.700 0.066 0.000 1.071 641 T CA 1.546 63.694 62.100 0.080 0.000 1.132 641 T CB -0.447 68.462 68.868 0.069 0.000 0.878 641 T HN 0.317 nan 8.240 nan 0.000 0.479 642 S N 1.109 116.836 115.700 0.045 0.000 2.355 642 S HA 0.014 4.484 4.470 0.000 0.000 0.222 642 S C 2.007 176.630 174.600 0.038 0.000 1.031 642 S CA 0.873 59.094 58.200 0.035 0.000 0.993 642 S CB -0.619 62.596 63.200 0.025 0.000 0.859 642 S HN 0.598 nan 8.310 nan 0.000 0.453 643 I N 1.760 122.356 120.570 0.042 0.000 2.361 643 I HA -0.088 4.082 4.170 0.000 0.000 0.251 643 I C 1.306 177.459 176.117 0.060 0.000 1.133 643 I CA 0.876 62.202 61.300 0.044 0.000 1.413 643 I CB -0.897 37.128 38.000 0.040 0.000 1.073 643 I HN 0.444 nan 8.210 nan 0.000 0.424 644 T N -0.619 113.989 114.554 0.089 0.000 2.903 644 T HA 0.309 4.659 4.350 0.000 0.000 0.314 644 T C 1.179 175.912 174.700 0.055 0.000 1.078 644 T CA 0.103 62.278 62.100 0.124 0.000 1.114 644 T CB 1.250 70.264 68.868 0.244 0.000 0.987 644 T HN 0.595 nan 8.240 nan 0.000 0.548 645 G N 1.298 110.113 108.800 0.026 0.000 2.159 645 G HA2 -0.205 3.755 3.960 0.000 0.000 0.256 645 G HA3 -0.205 3.755 3.960 0.000 0.000 0.256 645 G C -0.077 174.824 174.900 0.002 0.000 0.977 645 G CA 0.412 45.503 45.100 -0.015 0.000 0.652 645 G HN 0.946 nan 8.290 nan 0.000 0.531 646 K N -0.987 119.425 120.400 0.021 0.000 2.395 646 K HA 0.596 4.916 4.320 0.000 0.000 0.247 646 K C 1.482 178.100 176.600 0.029 0.000 0.973 646 K CA -0.608 55.693 56.287 0.022 0.000 0.828 646 K CB 1.487 34.002 32.500 0.025 0.000 1.272 646 K HN 0.188 nan 8.250 nan 0.000 0.439 647 G N 0.623 109.439 108.800 0.027 0.000 2.462 647 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 647 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 647 G C 1.199 176.119 174.900 0.034 0.000 1.121 647 G CA 1.222 46.339 45.100 0.030 0.000 0.758 647 G HN 0.624 nan 8.290 nan 0.000 0.559 648 A N 1.297 124.138 122.820 0.034 0.000 2.168 648 A HA 0.101 4.421 4.320 0.000 0.000 0.215 648 A C 2.106 179.713 177.584 0.039 0.000 1.152 648 A CA 1.484 53.541 52.037 0.033 0.000 0.716 648 A CB -0.348 18.669 19.000 0.029 0.000 0.794 648 A HN 0.649 nan 8.150 nan 0.000 0.465 649 E N 1.496 121.727 120.200 0.051 0.000 2.267 649 E HA -0.302 4.048 4.350 0.000 0.000 0.197 649 E C 1.633 178.268 176.600 0.058 0.000 0.998 649 E CA 1.398 57.839 56.400 0.069 0.000 0.830 649 E CB -0.563 29.203 29.700 0.111 0.000 0.751 649 E HN 0.782 nan 8.360 nan 0.000 0.491 650 K N 0.928 121.357 120.400 0.048 0.000 2.218 650 K HA -0.109 4.211 4.320 0.000 0.000 0.205 650 K C 1.314 177.928 176.600 0.024 0.000 1.046 650 K CA 1.581 57.889 56.287 0.037 0.000 0.933 650 K CB -0.071 32.448 32.500 0.032 0.000 0.728 650 K HN 0.164 nan 8.250 nan 0.000 0.454 651 A N 1.694 124.528 122.820 0.023 0.000 2.674 651 A HA 0.167 4.487 4.320 0.000 0.000 0.286 651 A C 1.095 178.687 177.584 0.014 0.000 0.980 651 A CA -0.677 51.369 52.037 0.015 0.000 1.028 651 A CB 0.068 19.077 19.000 0.015 0.000 1.199 651 A HN 0.408 nan 8.150 nan 0.000 0.499 652 K N -0.130 120.280 120.400 0.016 0.000 2.280 652 K HA -0.151 4.169 4.320 0.000 0.000 0.202 652 K C 0.813 177.417 176.600 0.006 0.000 1.047 652 K CA 1.808 58.105 56.287 0.016 0.000 0.942 652 K CB -0.027 32.488 32.500 0.025 0.000 0.739 652 K HN 0.311 nan 8.250 nan 0.000 0.457 653 E N 1.551 121.749 120.200 -0.003 0.000 2.072 653 E HA -0.135 4.215 4.350 0.000 0.000 0.190 653 E C 1.886 178.485 176.600 -0.002 0.000 0.982 653 E CA 1.236 57.632 56.400 -0.008 0.000 0.803 653 E CB -0.038 29.653 29.700 -0.015 0.000 0.755 653 E HN 0.251 nan 8.360 nan 0.000 0.453 654 K N 0.650 121.051 120.400 0.002 0.000 2.097 654 K HA -0.030 4.290 4.320 0.000 0.000 0.205 654 K C 1.763 178.368 176.600 0.008 0.000 1.050 654 K CA 0.933 57.223 56.287 0.005 0.000 0.938 654 K CB -0.210 32.294 32.500 0.007 0.000 0.718 654 K HN 0.084 nan 8.250 nan 0.000 0.442 655 L N -0.169 121.060 121.223 0.010 0.000 2.056 655 L HA -0.087 4.253 4.340 0.000 0.000 0.207 655 L C 2.450 179.326 176.870 0.010 0.000 1.078 655 L CA 1.201 56.049 54.840 0.012 0.000 0.749 655 L CB -0.635 41.433 42.059 0.015 0.000 0.901 655 L HN 0.254 nan 8.230 nan 0.000 0.433 656 A N -0.156 122.670 122.820 0.009 0.000 1.933 656 A HA -0.264 4.056 4.320 0.000 0.000 0.218 656 A C 2.258 179.846 177.584 0.006 0.000 1.175 656 A CA 1.888 53.930 52.037 0.008 0.000 0.628 656 A CB -0.501 18.502 19.000 0.005 0.000 0.814 656 A HN 0.494 nan 8.150 nan 0.000 0.444 657 E N 0.319 120.522 120.200 0.005 0.000 2.031 657 E HA -0.203 4.147 4.350 0.000 0.000 0.193 657 E C 1.937 178.541 176.600 0.007 0.000 0.994 657 E CA 1.760 58.163 56.400 0.005 0.000 0.800 657 E CB -0.334 29.369 29.700 0.004 0.000 0.752 657 E HN 0.773 nan 8.360 nan 0.000 0.447 658 I N -1.659 118.916 120.570 0.009 0.000 2.676 658 I HA -0.065 4.105 4.170 0.000 0.000 0.259 658 I C 1.895 178.019 176.117 0.011 0.000 1.194 658 I CA 0.512 61.819 61.300 0.011 0.000 1.473 658 I CB -0.058 37.950 38.000 0.015 0.000 1.096 658 I HN 0.044 nan 8.210 nan 0.000 0.443 659 I N 0.834 121.409 120.570 0.010 0.000 2.406 659 I HA -0.101 4.069 4.170 0.000 0.000 0.249 659 I C 2.373 178.494 176.117 0.008 0.000 1.122 659 I CA 1.050 62.356 61.300 0.009 0.000 1.431 659 I CB -0.144 37.862 38.000 0.009 0.000 1.087 659 I HN 0.042 nan 8.210 nan 0.000 0.424 660 V N 0.183 120.102 119.914 0.008 0.000 2.453 660 V HA -0.157 3.963 4.120 0.000 0.000 0.247 660 V C 2.388 178.486 176.094 0.007 0.000 1.048 660 V CA 1.359 63.663 62.300 0.007 0.000 1.049 660 V CB -0.581 31.245 31.823 0.006 0.000 0.672 660 V HN 0.358 nan 8.190 nan 0.000 0.457 661 E N 0.527 120.732 120.200 0.008 0.000 2.106 661 E HA -0.139 4.211 4.350 0.000 0.000 0.192 661 E C 2.370 178.976 176.600 0.010 0.000 0.984 661 E CA 1.373 57.778 56.400 0.009 0.000 0.806 661 E CB -0.409 29.297 29.700 0.010 0.000 0.750 661 E HN 0.559 nan 8.360 nan 0.000 0.458 662 A N 1.090 123.915 122.820 0.009 0.000 1.902 662 A HA -0.146 4.174 4.320 0.000 0.000 0.217 662 A C 2.614 180.202 177.584 0.007 0.000 1.181 662 A CA 1.510 53.552 52.037 0.008 0.000 0.623 662 A CB -0.662 18.342 19.000 0.007 0.000 0.818 662 A HN 0.131 nan 8.150 nan 0.000 0.443 663 V N -0.334 119.583 119.914 0.006 0.000 2.307 663 V HA -0.193 3.927 4.120 0.000 0.000 0.245 663 V C 2.759 178.857 176.094 0.007 0.000 1.045 663 V CA 2.284 64.588 62.300 0.006 0.000 1.024 663 V CB -0.843 30.983 31.823 0.006 0.000 0.651 663 V HN 0.545 nan 8.190 nan 0.000 0.449 664 S N 0.183 115.888 115.700 0.008 0.000 2.400 664 S HA -0.165 4.305 4.470 0.000 0.000 0.232 664 S C 2.167 176.774 174.600 0.012 0.000 1.025 664 S CA 1.354 59.560 58.200 0.009 0.000 0.993 664 S CB -0.441 62.764 63.200 0.009 0.000 0.808 664 S HN 0.646 nan 8.310 nan 0.000 0.478 665 A N 1.173 124.001 122.820 0.012 0.000 1.873 665 A HA -0.044 4.276 4.320 0.000 0.000 0.215 665 A C 2.378 179.972 177.584 0.017 0.000 1.186 665 A CA 1.761 53.808 52.037 0.016 0.000 0.616 665 A CB -0.735 18.273 19.000 0.014 0.000 0.823 665 A HN 0.562 nan 8.150 nan 0.000 0.442 666 V N -3.412 116.509 119.914 0.011 0.000 3.174 666 V HA 0.051 4.171 4.120 0.000 0.000 0.254 666 V C 2.048 178.147 176.094 0.008 0.000 1.120 666 V CA 1.218 63.523 62.300 0.009 0.000 1.114 666 V CB -0.398 31.427 31.823 0.004 0.000 0.756 666 V HN 0.192 nan 8.190 nan 0.000 0.467 667 V N 0.734 120.652 119.914 0.007 0.000 2.626 667 V HA -0.125 3.995 4.120 0.000 0.000 0.252 667 V C 1.637 177.734 176.094 0.005 0.000 1.067 667 V CA 2.548 64.851 62.300 0.005 0.000 1.081 667 V CB -0.521 31.305 31.823 0.005 0.000 0.686 667 V HN 0.847 nan 8.190 nan 0.000 0.468 668 D N -0.731 119.674 120.400 0.008 0.000 4.438 668 D HA -0.222 4.418 4.640 0.000 0.000 0.158 668 D C 0.614 176.915 176.300 0.003 0.000 0.686 668 D CA 1.958 55.962 54.000 0.006 0.000 1.183 668 D CB -1.283 39.518 40.800 0.001 0.000 0.623 668 D HN 0.586 nan 8.370 nan 0.000 0.521 669 D N 1.133 121.532 120.400 -0.001 0.000 2.398 669 D HA 0.316 4.956 4.640 0.000 0.000 0.247 669 D C -0.310 175.990 176.300 -0.000 0.000 1.227 669 D CA 0.212 54.210 54.000 -0.002 0.000 0.980 669 D CB 0.491 41.288 40.800 -0.005 0.000 1.106 669 D HN 0.119 nan 8.370 nan 0.000 0.493 670 E N -0.409 119.791 120.200 -0.000 0.000 2.261 670 E HA 0.618 4.968 4.350 0.000 0.000 0.239 670 E C -0.236 176.364 176.600 0.000 0.000 0.991 670 E CA -0.485 55.915 56.400 0.001 0.000 0.847 670 E CB 0.970 30.671 29.700 0.001 0.000 1.223 670 E HN 0.510 nan 8.360 nan 0.000 0.446 671 G N 1.160 109.960 108.800 0.000 0.000 2.340 671 G HA2 0.359 4.319 3.960 0.000 0.000 0.300 671 G HA3 0.359 4.319 3.960 0.000 0.000 0.300 671 G C -1.719 173.181 174.900 0.001 0.000 1.488 671 G CA -0.906 44.194 45.100 0.001 0.000 0.878 671 G HN 0.074 nan 8.290 nan 0.000 0.618 672 K N 0.622 121.022 120.400 0.001 0.000 2.553 672 K HA 0.572 4.892 4.320 0.000 0.000 0.250 672 K C -1.329 175.272 176.600 0.001 0.000 0.953 672 K CA -0.522 55.765 56.287 0.001 0.000 0.800 672 K CB 2.151 34.651 32.500 -0.000 0.000 1.243 672 K HN 0.527 nan 8.250 nan 0.000 0.435 673 V N 3.293 123.207 119.914 0.002 0.000 2.398 673 V HA 0.304 4.424 4.120 0.000 0.000 0.286 673 V C -0.418 175.676 176.094 0.001 0.000 1.026 673 V CA -0.712 61.589 62.300 0.001 0.000 0.868 673 V CB 1.550 33.375 31.823 0.003 0.000 0.982 673 V HN 0.652 nan 8.190 nan 0.000 0.443 674 D N 3.478 123.877 120.400 -0.001 0.000 2.471 674 D HA 0.317 4.957 4.640 0.000 0.000 0.245 674 D C 0.739 177.037 176.300 -0.003 0.000 1.116 674 D CA -0.583 53.416 54.000 -0.002 0.000 0.853 674 D CB 1.792 42.589 40.800 -0.004 0.000 1.123 674 D HN 0.417 nan 8.370 nan 0.000 0.540 675 K N 1.991 122.389 120.400 -0.003 0.000 2.442 675 K HA -0.139 4.181 4.320 0.000 0.000 0.198 675 K C 0.915 177.510 176.600 -0.008 0.000 1.044 675 K CA 0.757 57.041 56.287 -0.005 0.000 0.948 675 K CB 0.262 32.760 32.500 -0.003 0.000 0.762 675 K HN 0.362 nan 8.250 nan 0.000 0.472 676 D N 0.332 120.726 120.400 -0.009 0.000 2.219 676 D HA -0.113 4.527 4.640 0.000 0.000 0.205 676 D C 1.077 177.366 176.300 -0.017 0.000 0.970 676 D CA 0.707 54.699 54.000 -0.014 0.000 0.851 676 D CB 0.242 41.034 40.800 -0.013 0.000 0.943 676 D HN -0.027 nan 8.370 nan 0.000 0.488 677 L N 0.523 121.738 121.223 -0.014 0.000 2.591 677 L HA 0.246 4.586 4.340 0.000 0.000 0.228 677 L C 0.057 176.918 176.870 -0.016 0.000 1.133 677 L CA 0.472 55.303 54.840 -0.016 0.000 0.880 677 L CB -0.526 41.527 42.059 -0.010 0.000 1.033 677 L HN 0.161 nan 8.230 nan 0.000 0.450 678 I N 0.319 120.880 120.570 -0.015 0.000 2.437 678 I HA 0.196 4.366 4.170 0.000 0.000 0.279 678 I C 0.320 176.426 176.117 -0.019 0.000 1.028 678 I CA -0.351 60.940 61.300 -0.014 0.000 1.142 678 I CB 1.698 39.694 38.000 -0.007 0.000 1.266 678 I HN -0.038 nan 8.210 nan 0.000 0.461 679 K N 6.468 126.851 120.400 -0.027 0.000 2.174 679 K HA 0.478 4.798 4.320 0.000 0.000 0.275 679 K C -0.709 175.874 176.600 -0.030 0.000 1.015 679 K CA -0.542 55.723 56.287 -0.035 0.000 0.933 679 K CB 1.061 33.529 32.500 -0.053 0.000 1.025 679 K HN 0.438 nan 8.250 nan 0.000 0.463 680 I N 4.694 125.247 120.570 -0.029 0.000 2.337 680 I HA 0.238 4.408 4.170 0.000 0.000 0.285 680 I C -0.153 175.946 176.117 -0.030 0.000 1.041 680 I CA -0.406 60.880 61.300 -0.023 0.000 1.199 680 I CB 0.957 38.947 38.000 -0.016 0.000 1.370 680 I HN 0.610 nan 8.210 nan 0.000 0.470 681 E N 6.319 126.500 120.200 -0.031 0.000 2.202 681 E HA 0.516 4.866 4.350 0.000 0.000 0.272 681 E C -0.362 176.227 176.600 -0.019 0.000 0.951 681 E CA -0.643 55.735 56.400 -0.037 0.000 0.813 681 E CB 2.953 32.616 29.700 -0.062 0.000 1.151 681 E HN 0.507 nan 8.360 nan 0.000 0.398 682 K N 0.583 120.972 120.400 -0.018 0.000 2.468 682 K HA 0.674 4.994 4.320 0.000 0.000 0.252 682 K C -0.959 175.638 176.600 -0.005 0.000 0.932 682 K CA -1.050 55.232 56.287 -0.008 0.000 0.794 682 K CB 2.146 34.638 32.500 -0.014 0.000 1.241 682 K HN 0.132 nan 8.250 nan 0.000 0.428 683 K N 1.637 122.042 120.400 0.008 0.000 2.619 683 K HA 0.187 4.507 4.320 0.000 0.000 0.251 683 K C -1.088 175.524 176.600 0.020 0.000 0.987 683 K CA -0.322 55.974 56.287 0.014 0.000 0.844 683 K CB 1.811 34.328 32.500 0.027 0.000 1.237 683 K HN 0.835 nan 8.250 nan 0.000 0.447 684 S N 1.863 117.573 115.700 0.016 0.000 2.576 684 S HA 0.694 5.164 4.470 0.000 0.000 0.272 684 S C 0.496 175.111 174.600 0.025 0.000 1.352 684 S CA 0.326 58.540 58.200 0.022 0.000 1.021 684 S CB 0.698 63.912 63.200 0.024 0.000 0.887 684 S HN 1.338 nan 8.310 nan 0.000 0.542 685 G N -0.106 108.710 108.800 0.026 0.000 2.453 685 G HA2 0.504 4.465 3.960 0.000 0.000 0.665 685 G HA3 0.504 4.465 3.960 0.000 0.000 0.665 685 G C -0.132 174.782 174.900 0.023 0.000 1.411 685 G CA -0.131 44.983 45.100 0.024 0.000 0.889 685 G HN 2.322 nan 8.290 nan 0.000 0.651 686 A N -0.409 122.423 122.820 0.020 0.000 6.088 686 A HA 0.405 4.725 4.320 0.000 0.000 0.261 686 A C 1.369 178.964 177.584 0.018 0.000 2.138 686 A CA 2.037 54.085 52.037 0.017 0.000 0.708 686 A CB -1.814 17.197 19.000 0.018 0.000 1.068 686 A HN 2.923 nan 8.150 nan 0.000 0.364 687 S N -1.508 114.202 115.700 0.017 0.000 2.766 687 S HA 0.781 5.251 4.470 0.000 0.000 0.307 687 S C 1.072 175.683 174.600 0.019 0.000 1.121 687 S CA -0.085 58.125 58.200 0.017 0.000 0.980 687 S CB 1.087 64.296 63.200 0.014 0.000 1.159 687 S HN 1.123 nan 8.310 nan 0.000 0.546 688 I N 0.579 121.160 120.570 0.019 0.000 2.493 688 I HA -0.093 4.077 4.170 0.000 0.000 0.254 688 I C 2.166 178.294 176.117 0.017 0.000 1.160 688 I CA 1.433 62.745 61.300 0.019 0.000 1.445 688 I CB -0.493 37.519 38.000 0.020 0.000 1.086 688 I HN 0.780 nan 8.210 nan 0.000 0.433 689 D N 1.372 121.781 120.400 0.014 0.000 2.182 689 D HA -0.223 4.417 4.640 0.000 0.000 0.201 689 D C 1.387 177.694 176.300 0.013 0.000 0.986 689 D CA 1.379 55.386 54.000 0.012 0.000 0.847 689 D CB -0.024 40.781 40.800 0.009 0.000 0.942 689 D HN 0.340 nan 8.370 nan 0.000 0.467 690 D N -0.882 119.527 120.400 0.015 0.000 2.348 690 D HA -0.019 4.621 4.640 0.000 0.000 0.216 690 D C 0.246 176.560 176.300 0.024 0.000 0.970 690 D CA 0.508 54.518 54.000 0.017 0.000 0.889 690 D CB -0.068 40.742 40.800 0.017 0.000 0.912 690 D HN 0.094 nan 8.370 nan 0.000 0.524 691 T N 1.617 116.186 114.554 0.025 0.000 2.933 691 T HA 0.099 4.449 4.350 0.000 0.000 0.306 691 T C 0.271 174.989 174.700 0.031 0.000 1.045 691 T CA 0.282 62.400 62.100 0.030 0.000 1.143 691 T CB 0.338 69.220 68.868 0.024 0.000 1.003 691 T HN 0.312 nan 8.240 nan 0.000 0.540 692 E N 1.760 121.985 120.200 0.042 0.000 2.408 692 E HA 0.602 4.952 4.350 0.000 0.000 0.275 692 E C -1.561 175.070 176.600 0.053 0.000 0.935 692 E CA -1.175 55.251 56.400 0.044 0.000 0.775 692 E CB 1.257 30.985 29.700 0.047 0.000 1.277 692 E HN 0.338 nan 8.360 nan 0.000 0.455 693 L N 1.964 123.213 121.223 0.044 0.000 2.289 693 L HA 0.477 4.817 4.340 0.000 0.000 0.285 693 L C -1.429 175.478 176.870 0.061 0.000 1.049 693 L CA -0.490 54.376 54.840 0.044 0.000 0.804 693 L CB 1.063 43.139 42.059 0.028 0.000 1.195 693 L HN 0.601 nan 8.230 nan 0.000 0.428 694 I N 5.079 125.693 120.570 0.073 0.000 2.354 694 I HA 0.290 4.460 4.170 0.000 0.000 0.286 694 I C 0.206 176.359 176.117 0.060 0.000 1.007 694 I CA -0.293 61.067 61.300 0.101 0.000 1.167 694 I CB 1.186 39.291 38.000 0.176 0.000 1.320 694 I HN 0.522 nan 8.210 nan 0.000 0.458 695 K N 6.045 126.475 120.400 0.050 0.000 2.054 695 K HA 0.474 4.794 4.320 0.000 0.000 0.242 695 K C 0.323 176.941 176.600 0.030 0.000 1.157 695 K CA 0.257 56.562 56.287 0.030 0.000 1.079 695 K CB -0.405 32.106 32.500 0.020 0.000 1.331 695 K HN 0.947 nan 8.250 nan 0.000 0.317 696 G N 0.566 109.380 108.800 0.022 0.000 2.491 696 G HA2 0.061 4.021 3.960 0.000 0.000 0.183 696 G HA3 0.061 4.021 3.960 0.000 0.000 0.183 696 G C -1.647 173.243 174.900 -0.017 0.000 1.221 696 G CA -0.647 44.459 45.100 0.010 0.000 0.996 696 G HN 0.170 nan 8.290 nan 0.000 0.474 697 V N 0.803 120.693 119.914 -0.041 0.000 2.487 697 V HA 0.704 4.824 4.120 0.000 0.000 0.298 697 V C -0.832 175.176 176.094 -0.143 0.000 1.028 697 V CA -0.595 61.644 62.300 -0.102 0.000 0.860 697 V CB 1.453 33.184 31.823 -0.153 0.000 0.991 697 V HN 0.945 nan 8.190 nan 0.000 0.427 698 L N 7.513 128.616 121.223 -0.201 0.000 2.305 698 L HA 0.838 5.178 4.340 0.000 0.000 0.284 698 L C -0.367 176.336 176.870 -0.279 0.000 1.013 698 L CA -0.174 54.447 54.840 -0.364 0.000 0.819 698 L CB 1.687 43.433 42.059 -0.521 0.000 1.227 698 L HN 0.581 nan 8.230 nan 0.000 0.417 699 V N 1.565 121.328 119.914 -0.252 0.000 2.715 699 V HA 0.632 4.752 4.120 0.000 0.000 0.310 699 V C -0.353 175.669 176.094 -0.120 0.000 1.054 699 V CA -0.516 61.692 62.300 -0.153 0.000 0.928 699 V CB 1.789 33.548 31.823 -0.106 0.000 1.007 699 V HN 0.823 nan 8.190 nan 0.000 0.437 700 D N 1.663 122.017 120.400 -0.076 0.000 3.134 700 D HA 0.253 4.893 4.640 0.000 0.000 0.248 700 D C 0.050 176.348 176.300 -0.004 0.000 1.273 700 D CA -0.186 53.786 54.000 -0.045 0.000 0.904 700 D CB -0.001 40.775 40.800 -0.040 0.000 1.089 700 D HN 0.504 nan 8.370 nan 0.000 0.478 701 K N 0.714 121.126 120.400 0.021 0.000 2.306 701 K HA 0.412 4.732 4.320 0.000 0.000 0.236 701 K C 0.526 177.158 176.600 0.053 0.000 1.013 701 K CA -0.650 55.669 56.287 0.054 0.000 0.857 701 K CB 2.336 34.904 32.500 0.114 0.000 1.214 701 K HN 0.359 nan 8.250 nan 0.000 0.449 702 E N 0.929 121.154 120.200 0.042 0.000 2.359 702 E HA 0.360 4.710 4.350 0.000 0.000 0.266 702 E C -0.686 175.920 176.600 0.010 0.000 0.920 702 E CA -0.933 55.485 56.400 0.030 0.000 0.788 702 E CB 1.282 30.997 29.700 0.023 0.000 1.279 702 E HN 0.213 nan 8.360 nan 0.000 0.438 703 R N 1.371 121.872 120.500 0.002 0.000 2.296 703 R HA 0.097 4.437 4.340 0.000 0.000 0.323 703 R C 1.379 177.671 176.300 -0.013 0.000 1.067 703 R CA 0.230 56.318 56.100 -0.020 0.000 0.946 703 R CB 0.417 30.706 30.300 -0.018 0.000 0.991 703 R HN 0.568 nan 8.270 nan 0.000 0.448 704 V N 0.010 119.912 119.914 -0.020 0.000 2.720 704 V HA -0.090 4.030 4.120 0.000 0.000 0.256 704 V C 0.922 177.013 176.094 -0.004 0.000 1.082 704 V CA 1.149 63.444 62.300 -0.009 0.000 1.101 704 V CB -0.255 31.562 31.823 -0.009 0.000 0.693 704 V HN 0.521 nan 8.190 nan 0.000 0.479 705 S N -1.078 114.619 115.700 -0.005 0.000 2.526 705 S HA 0.777 5.247 4.470 0.000 0.000 0.293 705 S C 0.897 175.494 174.600 -0.004 0.000 1.092 705 S CA -0.135 58.064 58.200 -0.002 0.000 0.980 705 S CB 1.875 65.083 63.200 0.013 0.000 1.048 705 S HN 0.709 nan 8.310 nan 0.000 0.483 706 A N 2.952 125.767 122.820 -0.009 0.000 2.019 706 A HA -0.082 4.238 4.320 0.000 0.000 0.219 706 A C 1.907 179.490 177.584 -0.001 0.000 1.164 706 A CA 1.720 53.754 52.037 -0.006 0.000 0.644 706 A CB -0.650 18.342 19.000 -0.012 0.000 0.805 706 A HN 0.901 nan 8.150 nan 0.000 0.449 707 Q N -1.088 118.715 119.800 0.005 0.000 2.389 707 Q HA 0.130 4.470 4.340 0.000 0.000 0.204 707 Q C 0.491 176.503 176.000 0.020 0.000 0.944 707 Q CA -0.097 55.718 55.803 0.020 0.000 0.908 707 Q CB -0.098 28.668 28.738 0.046 0.000 1.002 707 Q HN 0.675 nan 8.270 nan 0.000 0.493 708 M N 2.288 121.895 119.600 0.011 0.000 2.243 708 M HA 0.186 4.666 4.480 0.000 0.000 0.341 708 M C -2.026 174.271 176.300 -0.005 0.000 1.130 708 M CA -1.787 53.512 55.300 -0.001 0.000 1.162 708 M CB 0.406 32.997 32.600 -0.014 0.000 1.497 708 M HN -0.044 nan 8.290 nan 0.000 0.456 709 P HA 0.007 nan 4.420 nan 0.000 0.266 709 P C -0.515 176.780 177.300 -0.009 0.000 1.193 709 P CA 0.312 63.407 63.100 -0.010 0.000 0.770 709 P CB 0.442 32.133 31.700 -0.015 0.000 0.836 710 K N 0.945 121.344 120.400 -0.001 0.000 2.367 710 K HA 0.108 4.428 4.320 0.000 0.000 0.194 710 K C 0.509 177.116 176.600 0.012 0.000 1.027 710 K CA 0.350 56.640 56.287 0.006 0.000 1.075 710 K CB 0.349 32.854 32.500 0.009 0.000 0.845 710 K HN 0.330 nan 8.250 nan 0.000 0.529 711 K N 0.974 121.377 120.400 0.006 0.000 2.550 711 K HA 0.257 4.577 4.320 0.000 0.000 0.252 711 K C -1.835 174.767 176.600 0.004 0.000 0.943 711 K CA -0.494 55.799 56.287 0.010 0.000 0.806 711 K CB 2.084 34.587 32.500 0.005 0.000 1.289 711 K HN -0.239 nan 8.250 nan 0.000 0.435 712 V N 2.888 122.808 119.914 0.010 0.000 2.531 712 V HA 0.449 4.569 4.120 0.000 0.000 0.301 712 V C -0.276 175.825 176.094 0.013 0.000 1.034 712 V CA -0.715 61.588 62.300 0.006 0.000 0.865 712 V CB 1.754 33.578 31.823 0.001 0.000 0.995 712 V HN 0.936 nan 8.190 nan 0.000 0.424 713 T N -0.087 114.471 114.554 0.007 0.000 2.859 713 T HA 0.556 4.906 4.350 0.000 0.000 0.281 713 T C -0.004 174.700 174.700 0.007 0.000 1.005 713 T CA -0.334 61.770 62.100 0.007 0.000 1.025 713 T CB 1.301 70.171 68.868 0.002 0.000 0.977 713 T HN 0.778 nan 8.240 nan 0.000 0.458 714 D N 0.665 121.070 120.400 0.008 0.000 2.697 714 D HA -0.147 4.493 4.640 0.000 0.000 0.238 714 D C 0.332 176.639 176.300 0.012 0.000 1.152 714 D CA 0.868 54.872 54.000 0.008 0.000 0.666 714 D CB -1.224 39.578 40.800 0.003 0.000 1.037 714 D HN 1.118 nan 8.370 nan 0.000 0.423 715 A N 1.484 124.316 122.820 0.020 0.000 2.462 715 A HA 0.408 4.728 4.320 0.000 0.000 0.243 715 A C 0.491 178.093 177.584 0.029 0.000 1.076 715 A CA 0.126 52.178 52.037 0.026 0.000 0.773 715 A CB 0.605 19.632 19.000 0.045 0.000 1.010 715 A HN 0.159 nan 8.150 nan 0.000 0.493 716 K N 2.635 123.048 120.400 0.023 0.000 2.389 716 K HA 0.419 4.739 4.320 0.000 0.000 0.261 716 K C -1.318 175.303 176.600 0.035 0.000 1.014 716 K CA -0.163 56.139 56.287 0.024 0.000 0.920 716 K CB 1.067 33.573 32.500 0.010 0.000 1.149 716 K HN 0.529 nan 8.250 nan 0.000 0.444 717 I N 2.074 122.682 120.570 0.063 0.000 2.331 717 I HA 0.281 4.451 4.170 0.000 0.000 0.292 717 I C 0.280 176.452 176.117 0.093 0.000 0.998 717 I CA -0.317 61.049 61.300 0.109 0.000 1.267 717 I CB 1.612 39.718 38.000 0.176 0.000 1.386 717 I HN 0.502 nan 8.210 nan 0.000 0.476 718 A N 7.371 130.246 122.820 0.092 0.000 2.330 718 A HA 0.857 5.177 4.320 0.000 0.000 0.327 718 A C -0.764 176.892 177.584 0.120 0.000 1.155 718 A CA -0.561 51.521 52.037 0.075 0.000 0.803 718 A CB 0.733 19.753 19.000 0.033 0.000 1.208 718 A HN 0.674 nan 8.150 nan 0.000 0.477 719 L N 3.182 124.462 121.223 0.094 0.000 2.324 719 L HA 0.371 4.711 4.340 0.000 0.000 0.274 719 L C -1.257 175.652 176.870 0.064 0.000 1.012 719 L CA -0.551 54.348 54.840 0.098 0.000 0.859 719 L CB 1.037 43.135 42.059 0.065 0.000 1.224 719 L HN 0.499 nan 8.230 nan 0.000 0.429 720 L N 2.768 124.032 121.223 0.068 0.000 2.309 720 L HA 0.357 4.697 4.340 0.000 0.000 0.282 720 L C 0.739 177.635 176.870 0.043 0.000 1.036 720 L CA 0.210 55.077 54.840 0.045 0.000 0.806 720 L CB 1.493 43.574 42.059 0.036 0.000 1.220 720 L HN 0.421 nan 8.230 nan 0.000 0.429 721 N N 0.459 119.178 118.700 0.030 0.000 2.407 721 N HA 0.007 4.747 4.740 0.000 0.000 0.182 721 N C 0.126 175.649 175.510 0.022 0.000 1.079 721 N CA 0.012 53.077 53.050 0.025 0.000 0.882 721 N CB 0.376 38.875 38.487 0.019 0.000 1.106 721 N HN 0.586 nan 8.380 nan 0.000 0.461 722 C N 1.915 121.227 119.300 0.020 0.000 2.585 722 C HA 0.745 5.205 4.460 0.000 0.000 0.406 722 C C 0.843 175.845 174.990 0.019 0.000 1.312 722 C CA -0.959 58.070 59.018 0.018 0.000 1.924 722 C CB -1.444 26.305 27.740 0.016 0.000 2.578 722 C HN 0.507 nan 8.230 nan 0.000 0.580 723 A N 6.294 129.125 122.820 0.018 0.000 2.540 723 A HA 0.306 4.626 4.320 0.000 0.000 0.239 723 A C 0.327 177.923 177.584 0.019 0.000 1.061 723 A CA 0.119 52.167 52.037 0.019 0.000 0.758 723 A CB -0.046 18.965 19.000 0.017 0.000 0.991 723 A HN 0.898 nan 8.150 nan 0.000 0.502 724 I N 2.586 123.168 120.570 0.020 0.000 2.204 724 I HA 0.135 4.305 4.170 0.000 0.000 0.291 724 I C -0.058 176.074 176.117 0.025 0.000 1.153 724 I CA 0.614 61.928 61.300 0.022 0.000 1.546 724 I CB -0.557 37.456 38.000 0.021 0.000 1.490 724 I HN 0.627 nan 8.210 nan 0.000 0.697 725 E N 4.661 124.874 120.200 0.022 0.000 2.302 725 E HA 0.397 4.747 4.350 0.000 0.000 0.263 725 E C -0.989 175.623 176.600 0.019 0.000 0.897 725 E CA -0.599 55.814 56.400 0.021 0.000 0.809 725 E CB 2.043 31.754 29.700 0.018 0.000 1.270 725 E HN 0.235 nan 8.360 nan 0.000 0.410 726 E N 1.902 122.114 120.200 0.020 0.000 2.275 726 E HA 0.235 4.585 4.350 0.000 0.000 0.270 726 E C -0.739 175.869 176.600 0.014 0.000 0.882 726 E CA -0.612 55.799 56.400 0.017 0.000 0.758 726 E CB 2.270 31.982 29.700 0.019 0.000 1.195 726 E HN 0.286 nan 8.360 nan 0.000 0.419 727 T N 1.491 116.051 114.554 0.010 0.000 2.946 727 T HA 0.359 4.709 4.350 0.000 0.000 0.311 727 T C 0.180 174.883 174.700 0.005 0.000 1.063 727 T CA 0.839 62.944 62.100 0.007 0.000 1.139 727 T CB 0.287 69.158 68.868 0.006 0.000 0.994 727 T HN 0.732 nan 8.240 nan 0.000 0.547 728 A N 2.898 125.719 122.820 0.002 0.000 2.435 728 A HA -0.084 4.236 4.320 0.000 0.000 0.686 728 A C 1.365 178.945 177.584 -0.006 0.000 0.138 728 A CA 0.081 52.116 52.037 -0.003 0.000 0.024 728 A CB -1.532 17.466 19.000 -0.004 0.000 3.974 728 A HN 0.801 nan 8.150 nan 0.000 0.548 729 S N 0.524 116.214 115.700 -0.018 0.000 2.406 729 S HA -0.078 4.392 4.470 0.000 0.000 0.228 729 S C 1.689 176.262 174.600 -0.045 0.000 1.020 729 S CA 1.335 59.514 58.200 -0.035 0.000 0.965 729 S CB -0.173 62.995 63.200 -0.054 0.000 0.798 729 S HN 0.736 nan 8.310 nan 0.000 0.488 730 E N 1.135 121.314 120.200 -0.036 0.000 2.072 730 E HA -0.009 4.341 4.350 0.000 0.000 0.191 730 E C 1.962 178.559 176.600 -0.006 0.000 0.985 730 E CA 0.857 57.239 56.400 -0.030 0.000 0.801 730 E CB -0.233 29.453 29.700 -0.023 0.000 0.750 730 E HN 0.409 nan 8.360 nan 0.000 0.452 731 M N 0.015 119.615 119.600 0.000 0.000 2.200 731 M HA -0.065 4.415 4.480 0.000 0.000 0.265 731 M C 2.315 178.630 176.300 0.024 0.000 1.066 731 M CA 0.731 56.038 55.300 0.012 0.000 1.127 731 M CB -0.810 31.796 32.600 0.009 0.000 1.379 731 M HN 0.090 nan 8.290 nan 0.000 0.420 732 L N 0.667 121.904 121.223 0.024 0.000 2.072 732 L HA -0.069 4.271 4.340 0.000 0.000 0.205 732 L C 2.120 179.037 176.870 0.079 0.000 1.079 732 L CA 1.840 56.705 54.840 0.041 0.000 0.752 732 L CB -0.569 41.510 42.059 0.034 0.000 0.906 732 L HN 0.162 nan 8.230 nan 0.000 0.436 733 K N -0.673 119.773 120.400 0.077 0.000 2.283 733 K HA -0.170 4.150 4.320 0.000 0.000 0.202 733 K C 1.691 178.418 176.600 0.212 0.000 1.048 733 K CA 1.084 57.482 56.287 0.185 0.000 0.948 733 K CB -0.157 32.303 32.500 -0.067 0.000 0.742 733 K HN 0.315 nan 8.250 nan 0.000 0.458 734 D N 0.839 121.301 120.400 0.103 0.000 2.117 734 D HA -0.131 4.509 4.640 0.000 0.000 0.197 734 D C 1.796 178.134 176.300 0.064 0.000 0.987 734 D CA 1.101 55.148 54.000 0.077 0.000 0.829 734 D CB 0.174 40.999 40.800 0.043 0.000 0.961 734 D HN -0.011 nan 8.370 nan 0.000 0.460 735 M N -0.044 119.591 119.600 0.058 0.000 2.117 735 M HA -0.095 4.385 4.480 0.000 0.000 0.262 735 M C 2.332 178.647 176.300 0.024 0.000 1.065 735 M CA 0.639 55.962 55.300 0.037 0.000 1.114 735 M CB -0.878 31.743 32.600 0.036 0.000 1.361 735 M HN -0.017 nan 8.290 nan 0.000 0.408 736 V N 0.481 120.422 119.914 0.045 0.000 2.358 736 V HA -0.193 3.927 4.120 0.000 0.000 0.246 736 V C 2.718 178.752 176.094 -0.100 0.000 1.047 736 V CA 1.726 64.009 62.300 -0.027 0.000 1.035 736 V CB -1.332 30.495 31.823 0.006 0.000 0.658 736 V HN 0.474 nan 8.190 nan 0.000 0.452 737 A N -0.464 122.348 122.820 -0.015 0.000 1.933 737 A HA -0.223 4.097 4.320 0.000 0.000 0.218 737 A C 2.178 179.747 177.584 -0.025 0.000 1.175 737 A CA 1.757 53.781 52.037 -0.021 0.000 0.628 737 A CB -0.420 18.631 19.000 0.085 0.000 0.814 737 A HN 0.614 nan 8.150 nan 0.000 0.444 738 E N -0.388 119.808 120.200 -0.006 0.000 2.106 738 E HA -0.116 4.234 4.350 0.000 0.000 0.192 738 E C 1.838 178.426 176.600 -0.019 0.000 0.984 738 E CA 0.992 57.388 56.400 -0.006 0.000 0.806 738 E CB -0.250 29.452 29.700 0.005 0.000 0.750 738 E HN 0.709 nan 8.360 nan 0.000 0.458 739 I N 1.115 121.666 120.570 -0.032 0.000 2.179 739 I HA -0.281 3.889 4.170 0.000 0.000 0.242 739 I C 2.485 178.572 176.117 -0.050 0.000 1.088 739 I CA 1.059 62.336 61.300 -0.039 0.000 1.357 739 I CB -0.151 37.819 38.000 -0.050 0.000 1.051 739 I HN -0.021 nan 8.210 nan 0.000 0.409 740 K N 1.629 121.983 120.400 -0.076 0.000 2.057 740 K HA -0.124 4.196 4.320 0.000 0.000 0.207 740 K C 2.038 178.609 176.600 -0.047 0.000 1.049 740 K CA 1.727 57.966 56.287 -0.079 0.000 0.931 740 K CB -0.406 32.022 32.500 -0.121 0.000 0.714 740 K HN 0.277 nan 8.250 nan 0.000 0.440 741 A N -0.102 122.697 122.820 -0.036 0.000 1.933 741 A HA -0.121 4.199 4.320 0.000 0.000 0.218 741 A C 2.176 179.752 177.584 -0.014 0.000 1.175 741 A CA 2.087 54.113 52.037 -0.019 0.000 0.628 741 A CB -0.754 18.239 19.000 -0.010 0.000 0.814 741 A HN 0.365 nan 8.150 nan 0.000 0.444 742 S N -1.741 113.951 115.700 -0.014 0.000 2.474 742 S HA 0.248 4.718 4.470 0.000 0.000 0.235 742 S C 1.509 176.104 174.600 -0.008 0.000 0.997 742 S CA 1.158 59.353 58.200 -0.008 0.000 0.949 742 S CB -0.140 63.057 63.200 -0.005 0.000 0.766 742 S HN 1.678 nan 8.310 nan 0.000 0.517 743 G N 0.687 109.478 108.800 -0.015 0.000 2.159 743 G HA2 -0.128 3.832 3.960 0.000 0.000 0.227 743 G HA3 -0.128 3.832 3.960 0.000 0.000 0.227 743 G C 0.108 174.998 174.900 -0.017 0.000 0.986 743 G CA -0.176 44.915 45.100 -0.015 0.000 0.651 743 G HN 0.827 nan 8.290 nan 0.000 0.523 744 A N 0.037 122.845 122.820 -0.021 0.000 2.477 744 A HA 0.638 4.958 4.320 0.000 0.000 0.246 744 A C 1.106 178.668 177.584 -0.037 0.000 1.078 744 A CA 0.720 52.744 52.037 -0.021 0.000 0.770 744 A CB 0.217 19.205 19.000 -0.020 0.000 1.011 744 A HN 0.333 nan 8.150 nan 0.000 0.494 745 N N 0.607 119.287 118.700 -0.032 0.000 2.257 745 N HA 0.125 4.865 4.740 0.000 0.000 0.200 745 N C -0.678 174.794 175.510 -0.063 0.000 1.163 745 N CA 0.448 53.472 53.050 -0.044 0.000 0.891 745 N CB 1.046 39.516 38.487 -0.029 0.000 1.067 745 N HN 0.383 nan 8.380 nan 0.000 0.497 746 V N 2.513 122.390 119.914 -0.062 0.000 2.540 746 V HA 0.458 4.578 4.120 0.000 0.000 0.302 746 V C -0.695 175.312 176.094 -0.145 0.000 1.035 746 V CA -0.733 61.493 62.300 -0.125 0.000 0.873 746 V CB 2.992 34.780 31.823 -0.058 0.000 0.992 746 V HN 0.023 nan 8.190 nan 0.000 0.428 747 L N 5.634 126.685 121.223 -0.287 0.000 2.446 747 L HA 0.603 4.943 4.340 0.000 0.000 0.268 747 L C -1.828 174.831 176.870 -0.351 0.000 0.975 747 L CA -0.103 54.615 54.840 -0.203 0.000 0.848 747 L CB 1.468 43.453 42.059 -0.123 0.000 1.225 747 L HN 0.581 nan 8.230 nan 0.000 0.410 748 F N 4.418 124.366 119.950 -0.004 0.000 2.388 748 F HA 0.335 4.862 4.527 -0.000 0.000 0.358 748 F C 0.527 176.325 175.800 -0.004 0.000 1.122 748 F CA -0.406 57.591 58.000 -0.005 0.000 1.056 748 F CB 1.347 40.342 39.000 -0.007 0.000 1.155 748 F HN 0.445 nan 8.300 nan 0.000 0.461 749 C N 5.262 124.644 119.300 0.137 0.000 2.303 749 C HA 0.217 4.677 4.460 0.000 0.000 0.326 749 C C 1.630 176.670 174.990 0.085 0.000 1.285 749 C CA -0.463 58.605 59.018 0.085 0.000 1.675 749 C CB 0.643 28.408 27.740 0.042 0.000 2.289 749 C HN 0.952 nan 8.230 nan 0.000 0.512 750 Q N 3.202 123.041 119.800 0.066 0.000 2.124 750 Q HA -0.054 4.286 4.340 0.000 0.000 0.202 750 Q C 1.088 177.109 176.000 0.035 0.000 0.977 750 Q CA 1.591 57.422 55.803 0.046 0.000 0.850 750 Q CB 0.198 28.954 28.738 0.030 0.000 0.901 750 Q HN 0.704 nan 8.270 nan 0.000 0.429 751 K N -0.709 119.710 120.400 0.031 0.000 2.842 751 K HA 0.349 4.669 4.320 0.000 0.000 0.310 751 K C 0.496 177.111 176.600 0.026 0.000 0.992 751 K CA 0.060 56.361 56.287 0.024 0.000 1.207 751 K CB -0.740 31.772 32.500 0.020 0.000 1.478 751 K HN 0.131 nan 8.250 nan 0.000 0.601 752 G N 0.260 109.072 108.800 0.021 0.000 2.562 752 G HA2 0.534 4.494 3.960 0.000 0.000 0.275 752 G HA3 0.534 4.494 3.960 0.000 0.000 0.275 752 G C -0.471 174.440 174.900 0.019 0.000 1.196 752 G CA -0.557 44.555 45.100 0.019 0.000 0.908 752 G HN 0.313 nan 8.290 nan 0.000 0.524 753 I N 0.675 121.256 120.570 0.018 0.000 2.478 753 I HA 0.166 4.336 4.170 0.000 0.000 0.287 753 I C -0.529 175.601 176.117 0.022 0.000 1.042 753 I CA -0.766 60.545 61.300 0.019 0.000 1.067 753 I CB 2.039 40.046 38.000 0.012 0.000 1.233 753 I HN 0.415 nan 8.210 nan 0.000 0.431 754 D N 4.926 125.343 120.400 0.027 0.000 2.414 754 D HA -0.049 4.591 4.640 0.000 0.000 0.242 754 D C 0.612 176.936 176.300 0.040 0.000 1.129 754 D CA 0.175 54.194 54.000 0.031 0.000 0.885 754 D CB 1.341 42.161 40.800 0.033 0.000 1.198 754 D HN 0.484 nan 8.370 nan 0.000 0.437 755 D N 2.785 123.207 120.400 0.036 0.000 2.158 755 D HA -0.185 4.455 4.640 0.000 0.000 0.197 755 D C 1.771 178.118 176.300 0.080 0.000 0.995 755 D CA 0.608 54.633 54.000 0.042 0.000 0.846 755 D CB -0.032 40.782 40.800 0.024 0.000 0.941 755 D HN 0.454 nan 8.370 nan 0.000 0.456 756 L N 0.190 121.462 121.223 0.082 0.000 2.056 756 L HA -0.140 4.200 4.340 0.000 0.000 0.207 756 L C 2.184 179.136 176.870 0.136 0.000 1.078 756 L CA 1.419 56.326 54.840 0.112 0.000 0.749 756 L CB -0.165 41.934 42.059 0.067 0.000 0.901 756 L HN -0.021 nan 8.230 nan 0.000 0.433 757 A N -0.639 122.244 122.820 0.105 0.000 1.933 757 A HA -0.251 4.069 4.320 0.000 0.000 0.218 757 A C 2.085 179.733 177.584 0.107 0.000 1.175 757 A CA 1.645 53.749 52.037 0.111 0.000 0.628 757 A CB -0.486 18.555 19.000 0.069 0.000 0.814 757 A HN 0.638 nan 8.150 nan 0.000 0.444 758 Q N -1.416 118.439 119.800 0.093 0.000 2.084 758 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 758 Q C 2.050 178.136 176.000 0.142 0.000 0.978 758 Q CA 1.628 57.478 55.803 0.079 0.000 0.844 758 Q CB -0.389 28.382 28.738 0.054 0.000 0.898 758 Q HN 0.943 nan 8.270 nan 0.000 0.426 759 H N -0.854 118.249 119.070 0.056 0.000 2.293 759 H HA -0.197 4.359 4.556 0.000 0.000 0.300 759 H C 1.943 177.352 175.328 0.134 0.000 1.082 759 H CA 1.178 57.268 56.048 0.070 0.000 1.308 759 H CB 0.112 29.908 29.762 0.057 0.000 1.375 759 H HN 0.238 nan 8.280 nan 0.000 0.495 760 Y N 1.304 121.599 120.300 -0.007 0.000 2.293 760 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 760 Y C 2.336 178.215 175.900 -0.036 0.000 1.137 760 Y CA 0.925 58.969 58.100 -0.094 0.000 1.202 760 Y CB -0.559 37.852 38.460 -0.082 0.000 0.990 760 Y HN 0.206 nan 8.280 nan 0.000 0.537 761 L N -0.576 120.642 121.223 -0.007 0.000 2.042 761 L HA -0.256 4.084 4.340 0.000 0.000 0.210 761 L C 2.713 179.543 176.870 -0.066 0.000 1.076 761 L CA 1.340 56.119 54.840 -0.100 0.000 0.749 761 L CB -0.881 41.150 42.059 -0.047 0.000 0.893 761 L HN 0.235 nan 8.230 nan 0.000 0.432 762 A N -0.162 122.668 122.820 0.017 0.000 1.933 762 A HA -0.212 4.108 4.320 0.000 0.000 0.218 762 A C 2.290 179.893 177.584 0.031 0.000 1.175 762 A CA 1.580 53.639 52.037 0.036 0.000 0.628 762 A CB -0.317 18.740 19.000 0.094 0.000 0.814 762 A HN 0.330 nan 8.150 nan 0.000 0.444 763 K N -0.405 120.024 120.400 0.048 0.000 2.211 763 K HA -0.067 4.253 4.320 0.000 0.000 0.203 763 K C 1.137 177.723 176.600 -0.024 0.000 1.050 763 K CA 1.109 57.424 56.287 0.046 0.000 0.945 763 K CB 0.024 32.605 32.500 0.134 0.000 0.732 763 K HN 0.390 nan 8.250 nan 0.000 0.451 764 E N -0.399 119.728 120.200 -0.122 0.000 2.479 764 E HA 0.027 4.377 4.350 0.000 0.000 0.193 764 E C 0.809 177.350 176.600 -0.097 0.000 1.049 764 E CA 0.380 56.685 56.400 -0.158 0.000 0.870 764 E CB 0.744 30.261 29.700 -0.305 0.000 0.944 764 E HN 0.448 nan 8.360 nan 0.000 0.492 765 G N 2.042 110.803 108.800 -0.066 0.000 2.160 765 G HA2 -0.288 3.672 3.960 0.000 0.000 0.251 765 G HA3 -0.288 3.672 3.960 0.000 0.000 0.251 765 G C 0.235 175.100 174.900 -0.058 0.000 1.008 765 G CA 0.179 45.252 45.100 -0.046 0.000 0.724 765 G HN 0.265 nan 8.290 nan 0.000 0.514 766 I N 0.935 121.458 120.570 -0.078 0.000 2.331 766 I HA 0.438 4.608 4.170 0.000 0.000 0.292 766 I C 0.983 177.050 176.117 -0.083 0.000 0.998 766 I CA -1.155 60.093 61.300 -0.087 0.000 1.267 766 I CB 1.634 39.569 38.000 -0.108 0.000 1.386 766 I HN 0.144 nan 8.210 nan 0.000 0.476 767 V N 3.745 123.601 119.914 -0.096 0.000 2.509 767 V HA 0.915 5.035 4.120 0.000 0.000 0.284 767 V C 0.048 176.034 176.094 -0.181 0.000 1.047 767 V CA -0.260 61.970 62.300 -0.115 0.000 0.952 767 V CB 1.162 32.920 31.823 -0.108 0.000 0.988 767 V HN 0.829 nan 8.190 nan 0.000 0.469 768 A N 3.602 126.321 122.820 -0.169 0.000 2.515 768 A HA 1.007 5.327 4.320 0.000 0.000 0.298 768 A C -0.350 177.131 177.584 -0.172 0.000 1.059 768 A CA -0.298 51.620 52.037 -0.197 0.000 0.698 768 A CB 1.858 20.790 19.000 -0.113 0.000 1.289 768 A HN 2.349 nan 8.150 nan 0.000 0.404 769 A N 1.758 124.461 122.820 -0.195 0.000 2.374 769 A HA 0.772 5.092 4.320 0.000 0.000 0.305 769 A C -0.081 177.505 177.584 0.003 0.000 1.053 769 A CA -0.674 51.320 52.037 -0.071 0.000 0.726 769 A CB 0.931 19.915 19.000 -0.027 0.000 1.229 769 A HN 1.237 nan 8.150 nan 0.000 0.431 770 R N 1.662 122.174 120.500 0.020 0.000 2.607 770 R HA 0.734 5.074 4.340 0.000 0.000 0.261 770 R C -0.400 175.927 176.300 0.046 0.000 1.051 770 R CA -0.787 55.333 56.100 0.033 0.000 1.110 770 R CB 0.446 30.758 30.300 0.020 0.000 1.158 770 R HN 0.523 nan 8.270 nan 0.000 0.543 771 R N -0.893 119.631 120.500 0.040 0.000 3.525 771 R HA -0.109 4.231 4.340 0.000 0.000 0.276 771 R C -0.744 175.580 176.300 0.041 0.000 1.116 771 R CA 0.538 56.658 56.100 0.033 0.000 0.745 771 R CB -2.607 27.707 30.300 0.024 0.000 1.185 771 R HN 0.534 nan 8.270 nan 0.000 0.454 772 V N 1.492 121.443 119.914 0.062 0.000 2.572 772 V HA 0.049 4.169 4.120 0.000 0.000 0.291 772 V C 1.474 177.582 176.094 0.023 0.000 1.039 772 V CA -0.173 62.165 62.300 0.065 0.000 1.055 772 V CB 1.236 33.133 31.823 0.123 0.000 0.969 772 V HN 0.147 nan 8.190 nan 0.000 0.482 773 K N 3.485 123.884 120.400 -0.001 0.000 2.484 773 K HA -0.046 4.274 4.320 0.000 0.000 0.280 773 K C 1.204 177.791 176.600 -0.021 0.000 1.013 773 K CA -0.135 56.143 56.287 -0.014 0.000 1.029 773 K CB 0.422 32.906 32.500 -0.027 0.000 0.902 773 K HN 0.607 nan 8.250 nan 0.000 0.481 774 K N 2.349 122.741 120.400 -0.014 0.000 2.103 774 K HA -0.168 4.152 4.320 0.000 0.000 0.207 774 K C 1.889 178.473 176.600 -0.026 0.000 1.048 774 K CA 2.047 58.325 56.287 -0.014 0.000 0.930 774 K CB -0.407 32.088 32.500 -0.008 0.000 0.716 774 K HN 0.577 nan 8.250 nan 0.000 0.444 775 S N 0.246 115.928 115.700 -0.030 0.000 2.368 775 S HA -0.144 4.326 4.470 0.000 0.000 0.225 775 S C 1.338 175.904 174.600 -0.058 0.000 1.030 775 S CA 1.654 59.831 58.200 -0.038 0.000 0.999 775 S CB -0.465 62.714 63.200 -0.035 0.000 0.844 775 S HN 0.394 nan 8.310 nan 0.000 0.459 776 D N 0.849 121.206 120.400 -0.072 0.000 2.218 776 D HA -0.037 4.603 4.640 0.000 0.000 0.204 776 D C 1.946 178.158 176.300 -0.148 0.000 0.976 776 D CA 0.797 54.727 54.000 -0.116 0.000 0.853 776 D CB -0.206 40.519 40.800 -0.125 0.000 0.939 776 D HN 0.390 nan 8.370 nan 0.000 0.481 777 M N 0.345 119.884 119.600 -0.101 0.000 2.117 777 M HA -0.105 4.375 4.480 0.000 0.000 0.262 777 M C 2.023 178.278 176.300 -0.075 0.000 1.065 777 M CA 1.013 56.261 55.300 -0.087 0.000 1.114 777 M CB -0.776 31.805 32.600 -0.032 0.000 1.361 777 M HN 0.047 nan 8.290 nan 0.000 0.408 778 E N 0.993 121.158 120.200 -0.059 0.000 2.150 778 E HA -0.155 4.196 4.350 0.000 0.000 0.193 778 E C 1.775 178.341 176.600 -0.057 0.000 0.985 778 E CA 1.040 57.412 56.400 -0.046 0.000 0.814 778 E CB 0.085 29.765 29.700 -0.034 0.000 0.752 778 E HN 0.488 nan 8.360 nan 0.000 0.466 779 K N 0.202 120.556 120.400 -0.077 0.000 2.057 779 K HA -0.070 4.250 4.320 0.000 0.000 0.206 779 K C 2.422 178.963 176.600 -0.098 0.000 1.050 779 K CA 0.998 57.235 56.287 -0.083 0.000 0.935 779 K CB -0.103 32.338 32.500 -0.099 0.000 0.715 779 K HN 0.157 nan 8.250 nan 0.000 0.439 780 L N 0.525 121.661 121.223 -0.144 0.000 2.093 780 L HA -0.154 4.187 4.340 0.000 0.000 0.208 780 L C 2.580 179.402 176.870 -0.079 0.000 1.085 780 L CA 0.937 55.681 54.840 -0.161 0.000 0.755 780 L CB -0.524 41.360 42.059 -0.292 0.000 0.904 780 L HN 0.199 nan 8.230 nan 0.000 0.435 781 A N -0.222 122.564 122.820 -0.057 0.000 1.898 781 A HA -0.167 4.153 4.320 0.000 0.000 0.216 781 A C 2.351 179.926 177.584 -0.015 0.000 1.181 781 A CA 1.349 53.371 52.037 -0.024 0.000 0.620 781 A CB -0.245 18.744 19.000 -0.019 0.000 0.819 781 A HN 0.172 nan 8.150 nan 0.000 0.442 782 K N -0.138 120.249 120.400 -0.022 0.000 2.057 782 K HA -0.012 4.308 4.320 0.000 0.000 0.206 782 K C 2.317 178.915 176.600 -0.003 0.000 1.050 782 K CA 1.289 57.569 56.287 -0.011 0.000 0.935 782 K CB -0.681 31.809 32.500 -0.016 0.000 0.715 782 K HN 0.442 nan 8.250 nan 0.000 0.439 783 A N 1.241 124.051 122.820 -0.016 0.000 1.832 783 A HA -0.139 4.181 4.320 0.000 0.000 0.214 783 A C 2.337 179.924 177.584 0.005 0.000 1.200 783 A CA 2.619 54.651 52.037 -0.009 0.000 0.610 783 A CB -1.074 17.907 19.000 -0.030 0.000 0.842 783 A HN 0.475 nan 8.150 nan 0.000 0.444 784 T N -4.203 110.351 114.554 -0.000 0.000 3.043 784 T HA 0.364 4.714 4.350 0.000 0.000 0.263 784 T C 1.419 176.134 174.700 0.025 0.000 1.094 784 T CA 1.222 63.331 62.100 0.015 0.000 1.127 784 T CB -0.130 68.752 68.868 0.023 0.000 0.905 784 T HN 1.862 nan 8.240 nan 0.000 0.490 785 G N 1.391 110.204 108.800 0.021 0.000 2.147 785 G HA2 -0.004 3.956 3.960 0.000 0.000 0.244 785 G HA3 -0.004 3.956 3.960 0.000 0.000 0.244 785 G C 0.216 175.129 174.900 0.022 0.000 1.005 785 G CA -0.036 45.078 45.100 0.024 0.000 0.713 785 G HN 1.171 nan 8.290 nan 0.000 0.515 786 A N -0.413 122.419 122.820 0.020 0.000 2.371 786 A HA 0.643 4.963 4.320 0.000 0.000 0.257 786 A C 0.385 177.980 177.584 0.019 0.000 1.089 786 A CA 0.281 52.334 52.037 0.026 0.000 0.794 786 A CB 0.521 19.544 19.000 0.038 0.000 1.029 786 A HN 0.756 nan 8.150 nan 0.000 0.488 787 N N 1.277 119.990 118.700 0.022 0.000 2.424 787 N HA 0.369 5.109 4.740 0.000 0.000 0.271 787 N C -0.917 174.604 175.510 0.020 0.000 0.985 787 N CA -0.345 52.715 53.050 0.016 0.000 0.921 787 N CB 1.274 39.770 38.487 0.015 0.000 1.149 787 N HN 0.280 nan 8.380 nan 0.000 0.492 788 V N 4.929 124.852 119.914 0.014 0.000 2.446 788 V HA 0.148 4.268 4.120 0.000 0.000 0.276 788 V C 0.480 176.584 176.094 0.016 0.000 1.030 788 V CA -0.169 62.141 62.300 0.016 0.000 1.033 788 V CB -0.837 30.992 31.823 0.009 0.000 0.993 788 V HN 0.579 nan 8.190 nan 0.000 0.477 789 I N 2.372 122.954 120.570 0.020 0.000 2.603 789 I HA 0.633 4.803 4.170 0.000 0.000 0.300 789 I C 0.663 176.790 176.117 0.016 0.000 1.017 789 I CA 0.108 61.418 61.300 0.016 0.000 1.098 789 I CB 1.963 39.973 38.000 0.017 0.000 1.279 789 I HN 0.341 nan 8.210 nan 0.000 0.437 790 T N 1.390 115.952 114.554 0.013 0.000 2.815 790 T HA 0.090 4.440 4.350 0.000 0.000 0.244 790 T C 0.728 175.435 174.700 0.013 0.000 1.040 790 T CA 0.872 62.980 62.100 0.013 0.000 1.176 790 T CB -0.260 68.615 68.868 0.010 0.000 0.880 790 T HN 0.677 nan 8.240 nan 0.000 0.414 791 N N 1.125 119.832 118.700 0.012 0.000 2.472 791 N HA 0.240 4.980 4.740 0.000 0.000 0.277 791 N C 0.873 176.391 175.510 0.012 0.000 1.081 791 N CA -0.128 52.929 53.050 0.011 0.000 0.973 791 N CB 0.673 39.166 38.487 0.010 0.000 1.105 791 N HN 0.175 nan 8.380 nan 0.000 0.470 792 I N 2.352 122.930 120.570 0.012 0.000 2.361 792 I HA -0.248 3.922 4.170 0.000 0.000 0.251 792 I C 2.020 178.143 176.117 0.010 0.000 1.133 792 I CA 0.856 62.163 61.300 0.012 0.000 1.413 792 I CB -0.041 37.967 38.000 0.013 0.000 1.073 792 I HN 0.510 nan 8.210 nan 0.000 0.424 793 K N 1.389 121.795 120.400 0.010 0.000 2.103 793 K HA -0.222 4.098 4.320 0.000 0.000 0.207 793 K C 1.332 177.937 176.600 0.008 0.000 1.048 793 K CA 1.782 58.074 56.287 0.009 0.000 0.930 793 K CB -0.231 32.275 32.500 0.009 0.000 0.716 793 K HN 0.252 nan 8.250 nan 0.000 0.444 794 D N -0.511 119.894 120.400 0.009 0.000 2.277 794 D HA -0.029 4.611 4.640 0.000 0.000 0.208 794 D C -0.170 176.135 176.300 0.009 0.000 0.962 794 D CA 0.173 54.178 54.000 0.008 0.000 0.865 794 D CB -0.012 40.793 40.800 0.009 0.000 0.939 794 D HN 0.089 nan 8.370 nan 0.000 0.510 795 L N 1.171 122.400 121.223 0.009 0.000 2.601 795 L HA 0.103 4.443 4.340 0.000 0.000 0.277 795 L C 0.159 177.033 176.870 0.007 0.000 1.219 795 L CA 0.311 55.156 54.840 0.009 0.000 0.915 795 L CB 0.047 42.111 42.059 0.009 0.000 1.160 795 L HN -0.007 nan 8.230 nan 0.000 0.494 796 S N 3.292 118.996 115.700 0.008 0.000 2.661 796 S HA 0.788 5.258 4.470 0.000 0.000 0.285 796 S C 0.774 175.378 174.600 0.007 0.000 1.138 796 S CA -0.393 57.810 58.200 0.006 0.000 0.855 796 S CB 1.270 64.474 63.200 0.006 0.000 1.136 796 S HN 0.842 nan 8.310 nan 0.000 0.484 797 A N 0.560 123.383 122.820 0.005 0.000 1.978 797 A HA -0.083 4.237 4.320 0.000 0.000 0.220 797 A C 1.991 179.581 177.584 0.009 0.000 1.170 797 A CA 1.352 53.393 52.037 0.006 0.000 0.636 797 A CB -0.868 18.134 19.000 0.004 0.000 0.810 797 A HN 0.735 nan 8.150 nan 0.000 0.448 798 Q N 0.057 119.863 119.800 0.009 0.000 2.437 798 Q HA -0.101 4.239 4.340 0.000 0.000 0.210 798 Q C 0.574 176.582 176.000 0.013 0.000 0.972 798 Q CA 1.064 56.874 55.803 0.011 0.000 0.903 798 Q CB -0.215 28.529 28.738 0.009 0.000 0.967 798 Q HN 0.671 nan 8.270 nan 0.000 0.486 799 D N -0.407 120.001 120.400 0.014 0.000 2.354 799 D HA 0.021 4.661 4.640 0.000 0.000 0.209 799 D C 0.070 176.384 176.300 0.022 0.000 1.015 799 D CA 0.013 54.023 54.000 0.017 0.000 0.867 799 D CB 0.464 41.274 40.800 0.016 0.000 0.933 799 D HN 0.104 nan 8.370 nan 0.000 0.520 800 L N 0.926 122.162 121.223 0.022 0.000 2.397 800 L HA 0.369 4.709 4.340 0.000 0.000 0.271 800 L C 1.218 178.106 176.870 0.030 0.000 1.148 800 L CA -0.101 54.755 54.840 0.028 0.000 0.825 800 L CB 1.158 43.230 42.059 0.022 0.000 1.117 800 L HN -0.176 nan 8.230 nan 0.000 0.456 801 G N 1.070 109.893 108.800 0.038 0.000 2.491 801 G HA2 0.555 4.515 3.960 0.000 0.000 0.327 801 G HA3 0.555 4.515 3.960 0.000 0.000 0.327 801 G C -1.329 173.594 174.900 0.038 0.000 1.189 801 G CA -0.414 44.708 45.100 0.037 0.000 0.956 801 G HN 0.570 nan 8.290 nan 0.000 0.491 802 D N -0.687 119.733 120.400 0.033 0.000 2.350 802 D HA 0.651 5.291 4.640 0.000 0.000 0.245 802 D C -0.201 176.114 176.300 0.026 0.000 1.036 802 D CA 0.140 54.157 54.000 0.027 0.000 0.848 802 D CB 2.008 42.819 40.800 0.018 0.000 1.307 802 D HN 0.611 nan 8.370 nan 0.000 0.469 803 A N 0.647 123.485 122.820 0.030 0.000 2.488 803 A HA 0.624 4.944 4.320 0.000 0.000 0.298 803 A C 0.999 178.599 177.584 0.026 0.000 1.044 803 A CA -0.498 51.557 52.037 0.031 0.000 0.693 803 A CB 1.509 20.542 19.000 0.055 0.000 1.272 803 A HN 0.585 nan 8.150 nan 0.000 0.402 804 G N 0.624 109.433 108.800 0.015 0.000 2.408 804 G HA2 0.246 4.206 3.960 0.000 0.000 0.217 804 G HA3 0.246 4.206 3.960 0.000 0.000 0.217 804 G C 0.393 175.304 174.900 0.020 0.000 1.150 804 G CA 0.887 45.993 45.100 0.010 0.000 0.776 804 G HN 0.612 nan 8.290 nan 0.000 0.542 805 L N 0.263 121.506 121.223 0.033 0.000 2.436 805 L HA 0.523 4.863 4.340 0.000 0.000 0.268 805 L C -1.383 175.533 176.870 0.077 0.000 0.974 805 L CA -0.807 54.059 54.840 0.043 0.000 0.826 805 L CB 3.083 45.161 42.059 0.032 0.000 1.291 805 L HN -0.222 nan 8.230 nan 0.000 0.406 806 V N 2.467 122.429 119.914 0.080 0.000 2.409 806 V HA 0.493 4.613 4.120 0.000 0.000 0.290 806 V C -0.579 175.574 176.094 0.098 0.000 1.017 806 V CA -0.442 61.929 62.300 0.118 0.000 0.841 806 V CB 1.833 33.727 31.823 0.119 0.000 1.003 806 V HN 0.783 nan 8.190 nan 0.000 0.426 807 E N 3.036 123.319 120.200 0.138 0.000 2.343 807 E HA 0.394 4.744 4.350 0.000 0.000 0.278 807 E C -1.156 175.545 176.600 0.168 0.000 0.910 807 E CA -0.659 55.806 56.400 0.108 0.000 0.757 807 E CB 2.351 32.085 29.700 0.057 0.000 1.218 807 E HN 0.747 nan 8.360 nan 0.000 0.435 808 E N 4.133 124.401 120.200 0.113 0.000 2.152 808 E HA 0.251 4.601 4.350 0.000 0.000 0.285 808 E C -0.941 175.726 176.600 0.112 0.000 1.043 808 E CA -0.254 56.222 56.400 0.127 0.000 0.839 808 E CB 0.672 30.415 29.700 0.072 0.000 1.069 808 E HN 0.321 nan 8.360 nan 0.000 0.399 809 R N 3.669 124.276 120.500 0.178 0.000 2.686 809 R HA 0.386 4.726 4.340 0.000 0.000 0.286 809 R C -0.739 175.647 176.300 0.144 0.000 0.969 809 R CA -0.911 55.252 56.100 0.105 0.000 0.898 809 R CB 2.008 32.289 30.300 -0.032 0.000 1.183 809 R HN 0.318 nan 8.270 nan 0.000 0.456 810 K N 2.418 122.864 120.400 0.076 0.000 2.211 810 K HA 0.380 4.700 4.320 0.000 0.000 0.275 810 K C -0.673 175.970 176.600 0.071 0.000 1.024 810 K CA -0.468 55.863 56.287 0.073 0.000 0.887 810 K CB 1.098 33.624 32.500 0.043 0.000 1.084 810 K HN 0.295 nan 8.250 nan 0.000 0.463 811 I N 2.043 122.668 120.570 0.090 0.000 2.390 811 I HA 0.069 4.239 4.170 0.000 0.000 0.283 811 I C -0.030 176.120 176.117 0.054 0.000 1.016 811 I CA -0.061 61.286 61.300 0.078 0.000 1.151 811 I CB 1.659 39.730 38.000 0.120 0.000 1.293 811 I HN 0.594 nan 8.210 nan 0.000 0.458 812 S N 4.343 120.066 115.700 0.039 0.000 3.698 812 S HA -0.178 4.292 4.470 0.000 0.000 0.338 812 S C 1.312 175.928 174.600 0.028 0.000 1.089 812 S CA 0.975 59.193 58.200 0.030 0.000 0.991 812 S CB -1.412 61.806 63.200 0.029 0.000 0.909 812 S HN 1.454 nan 8.310 nan 0.000 0.485 813 G N 0.642 109.460 108.800 0.029 0.000 2.579 813 G HA2 -0.287 3.673 3.960 0.000 0.000 0.222 813 G HA3 -0.287 3.673 3.960 0.000 0.000 0.222 813 G C -0.351 174.568 174.900 0.032 0.000 1.201 813 G CA 0.108 45.224 45.100 0.026 0.000 0.710 813 G HN 0.614 nan 8.290 nan 0.000 0.516 814 D N 2.483 122.903 120.400 0.034 0.000 2.401 814 D HA 0.435 5.075 4.640 0.000 0.000 0.254 814 D C 1.040 177.373 176.300 0.054 0.000 1.192 814 D CA 0.990 55.011 54.000 0.036 0.000 0.885 814 D CB 1.235 42.053 40.800 0.030 0.000 1.147 814 D HN 0.687 nan 8.370 nan 0.000 0.478 815 S N 2.597 118.328 115.700 0.052 0.000 2.565 815 S HA 0.584 5.054 4.470 0.000 0.000 0.274 815 S C 0.103 174.748 174.600 0.074 0.000 1.309 815 S CA -0.667 57.577 58.200 0.072 0.000 1.043 815 S CB 1.290 64.524 63.200 0.057 0.000 0.939 815 S HN 0.396 nan 8.310 nan 0.000 0.504 816 M N 2.063 121.734 119.600 0.117 0.000 2.593 816 M HA 0.509 4.989 4.480 0.000 0.000 0.290 816 M C -1.236 175.138 176.300 0.124 0.000 1.244 816 M CA -0.594 54.745 55.300 0.064 0.000 0.857 816 M CB 2.239 34.823 32.600 -0.028 0.000 1.738 816 M HN 0.566 nan 8.290 nan 0.000 0.461 817 I N 1.662 122.251 120.570 0.032 0.000 2.339 817 I HA 0.373 4.543 4.170 0.000 0.000 0.290 817 I C -1.363 174.751 176.117 -0.005 0.000 0.994 817 I CA -0.370 61.010 61.300 0.133 0.000 1.191 817 I CB 0.918 39.045 38.000 0.211 0.000 1.343 817 I HN 0.425 nan 8.210 nan 0.000 0.458 818 F N 5.912 125.908 119.950 0.075 0.000 2.405 818 F HA 0.365 4.892 4.527 0.000 0.000 0.355 818 F C 0.193 176.036 175.800 0.071 0.000 1.121 818 F CA -0.735 57.297 58.000 0.053 0.000 1.112 818 F CB 1.375 40.395 39.000 0.032 0.000 1.126 818 F HN 0.031 nan 8.300 nan 0.000 0.481 819 V N 4.353 124.369 119.914 0.170 0.000 2.275 819 V HA 0.316 4.436 4.120 0.000 0.000 0.272 819 V C -0.304 175.850 176.094 0.099 0.000 1.028 819 V CA -0.579 61.800 62.300 0.131 0.000 0.810 819 V CB 0.254 32.120 31.823 0.071 0.000 1.043 819 V HN 0.806 nan 8.190 nan 0.000 0.453 820 E N 2.999 123.265 120.200 0.110 0.000 2.378 820 E HA 0.679 5.029 4.350 0.000 0.000 0.265 820 E C -0.618 176.010 176.600 0.046 0.000 0.932 820 E CA -0.889 55.561 56.400 0.082 0.000 0.795 820 E CB 1.701 31.465 29.700 0.106 0.000 1.296 820 E HN 0.207 nan 8.360 nan 0.000 0.438 821 E N -0.842 119.373 120.200 0.025 0.000 2.596 821 E HA -0.147 4.203 4.350 0.000 0.000 0.272 821 E C -0.662 175.930 176.600 -0.014 0.000 1.039 821 E CA 0.513 56.914 56.400 0.001 0.000 0.804 821 E CB -2.239 27.462 29.700 0.002 0.000 1.373 821 E HN 0.598 nan 8.360 nan 0.000 0.404 822 C N 0.713 120.006 119.300 -0.012 0.000 2.689 822 C HA 0.067 4.527 4.460 0.000 0.000 0.409 822 C C 2.296 177.239 174.990 -0.079 0.000 1.293 822 C CA -0.075 58.928 59.018 -0.024 0.000 2.136 822 C CB 0.442 28.178 27.740 -0.007 0.000 2.719 822 C HN 0.384 nan 8.230 nan 0.000 0.644 823 K N 0.617 120.953 120.400 -0.107 0.000 1.969 823 K HA -0.090 4.230 4.320 0.000 0.000 0.216 823 K C 0.416 176.715 176.600 -0.502 0.000 1.048 823 K CA 1.378 57.498 56.287 -0.279 0.000 0.948 823 K CB -0.087 32.303 32.500 -0.183 0.000 0.726 823 K HN 0.686 nan 8.250 nan 0.000 0.442 824 H N 0.195 119.269 119.070 0.006 0.000 2.488 824 H HA 0.240 4.796 4.556 -0.000 0.000 0.237 824 H C -2.535 172.794 175.328 0.001 0.000 1.395 824 H CA -1.997 54.053 56.048 0.003 0.000 1.491 824 H CB 0.750 30.513 29.762 0.002 0.000 1.567 824 H HN 0.192 nan 8.280 nan 0.000 0.508 825 P HA 0.133 nan 4.420 nan 0.000 0.275 825 P C 0.267 177.591 177.300 0.040 0.000 1.227 825 P CA -0.512 62.611 63.100 0.038 0.000 0.781 825 P CB 1.807 33.515 31.700 0.014 0.000 0.906 826 K N 0.665 121.080 120.400 0.024 0.000 2.374 826 K HA 0.450 4.770 4.320 0.000 0.000 0.202 826 K C 0.282 176.884 176.600 0.002 0.000 1.040 826 K CA 0.038 56.334 56.287 0.015 0.000 1.085 826 K CB 0.697 33.203 32.500 0.011 0.000 0.873 826 K HN 0.534 nan 8.250 nan 0.000 0.539 827 A N 0.522 123.340 122.820 -0.004 0.000 2.449 827 A HA 0.686 5.006 4.320 0.000 0.000 0.302 827 A C -0.901 176.674 177.584 -0.014 0.000 1.048 827 A CA -0.771 51.257 52.037 -0.015 0.000 0.708 827 A CB 1.253 20.235 19.000 -0.030 0.000 1.274 827 A HN -0.004 nan 8.150 nan 0.000 0.410 828 V N -1.153 118.752 119.914 -0.014 0.000 3.074 828 V HA 0.978 5.098 4.120 0.000 0.000 0.314 828 V C -0.428 175.654 176.094 -0.020 0.000 1.117 828 V CA -0.586 61.708 62.300 -0.010 0.000 1.014 828 V CB 1.659 33.482 31.823 0.002 0.000 1.057 828 V HN 0.880 nan 8.190 nan 0.000 0.438 829 T N 3.303 117.847 114.554 -0.016 0.000 2.886 829 T HA 0.633 4.983 4.350 0.000 0.000 0.292 829 T C -0.558 174.141 174.700 -0.003 0.000 1.012 829 T CA -0.352 61.731 62.100 -0.028 0.000 0.982 829 T CB 1.492 70.319 68.868 -0.068 0.000 1.018 829 T HN 0.748 nan 8.240 nan 0.000 0.451 830 M N 3.403 123.000 119.600 -0.005 0.000 2.072 830 M HA 0.382 4.862 4.480 0.000 0.000 0.331 830 M C -0.955 175.352 176.300 0.011 0.000 1.004 830 M CA -0.905 54.403 55.300 0.013 0.000 0.952 830 M CB 1.325 33.931 32.600 0.010 0.000 1.511 830 M HN 0.343 nan 8.290 nan 0.000 0.422 831 L N 5.788 127.032 121.223 0.036 0.000 2.315 831 L HA 0.465 4.805 4.340 0.000 0.000 0.283 831 L C -0.796 176.099 176.870 0.042 0.000 1.089 831 L CA 0.251 55.116 54.840 0.042 0.000 0.833 831 L CB 0.249 42.370 42.059 0.105 0.000 1.170 831 L HN 0.557 nan 8.230 nan 0.000 0.442 832 I N 6.030 126.615 120.570 0.026 0.000 2.331 832 I HA 0.391 4.561 4.170 0.000 0.000 0.292 832 I C 0.335 176.468 176.117 0.027 0.000 0.998 832 I CA -0.422 60.892 61.300 0.023 0.000 1.267 832 I CB 0.735 38.743 38.000 0.013 0.000 1.386 832 I HN 0.611 nan 8.210 nan 0.000 0.476 833 R N 3.700 124.218 120.500 0.029 0.000 2.828 833 R HA 0.896 5.236 4.340 0.000 0.000 0.264 833 R C -0.350 175.964 176.300 0.024 0.000 1.022 833 R CA -0.968 55.149 56.100 0.028 0.000 1.021 833 R CB 2.206 32.524 30.300 0.031 0.000 1.163 833 R HN 0.843 nan 8.270 nan 0.000 0.494 834 G N -0.773 108.042 108.800 0.024 0.000 2.340 834 G HA2 0.032 3.992 3.960 0.000 0.000 0.298 834 G HA3 0.032 3.992 3.960 0.000 0.000 0.298 834 G C 0.034 174.950 174.900 0.027 0.000 1.498 834 G CA -0.677 44.438 45.100 0.025 0.000 0.847 834 G HN 0.398 nan 8.290 nan 0.000 0.594 835 T N 0.343 114.913 114.554 0.028 0.000 2.881 835 T HA 0.158 4.508 4.350 0.000 0.000 0.270 835 T C 0.919 175.640 174.700 0.035 0.000 1.068 835 T CA 2.099 64.216 62.100 0.028 0.000 1.131 835 T CB -0.179 68.704 68.868 0.025 0.000 0.871 835 T HN 0.674 nan 8.240 nan 0.000 0.479 836 T N 0.174 114.755 114.554 0.045 0.000 2.868 836 T HA 0.230 4.580 4.350 0.000 0.000 0.306 836 T C 0.359 175.099 174.700 0.067 0.000 1.224 836 T CA -0.798 61.341 62.100 0.065 0.000 1.012 836 T CB 2.435 71.352 68.868 0.082 0.000 1.221 836 T HN -0.179 nan 8.240 nan 0.000 0.499 837 E N 0.649 120.888 120.200 0.066 0.000 2.097 837 E HA -0.180 4.170 4.350 0.000 0.000 0.196 837 E C 1.565 178.139 176.600 -0.044 0.000 1.000 837 E CA 1.822 58.221 56.400 -0.002 0.000 0.804 837 E CB -0.107 29.569 29.700 -0.040 0.000 0.740 837 E HN 0.605 nan 8.360 nan 0.000 0.454 838 H N -0.492 118.582 119.070 0.007 0.000 2.457 838 H HA -0.026 4.530 4.556 -0.000 0.000 0.294 838 H C 2.120 177.452 175.328 0.007 0.000 1.064 838 H CA 0.954 57.005 56.048 0.006 0.000 1.330 838 H CB 0.113 29.878 29.762 0.005 0.000 1.395 838 H HN -0.061 nan 8.280 nan 0.000 0.541 839 V N 1.277 121.263 119.914 0.120 0.000 2.323 839 V HA -0.194 3.926 4.120 0.000 0.000 0.244 839 V C 2.320 178.439 176.094 0.042 0.000 1.041 839 V CA 1.805 64.147 62.300 0.070 0.000 1.025 839 V CB -0.471 31.385 31.823 0.055 0.000 0.656 839 V HN 0.544 nan 8.190 nan 0.000 0.451 840 I N -1.724 118.863 120.570 0.029 0.000 2.830 840 I HA -0.100 4.071 4.170 0.000 0.000 0.263 840 I C 2.109 178.226 176.117 0.000 0.000 1.230 840 I CA 1.429 62.736 61.300 0.013 0.000 1.480 840 I CB -0.578 37.427 38.000 0.008 0.000 1.095 840 I HN 0.303 nan 8.210 nan 0.000 0.455 841 E N 1.487 121.681 120.200 -0.009 0.000 2.072 841 E HA -0.247 4.103 4.350 0.000 0.000 0.191 841 E C 2.010 178.611 176.600 0.001 0.000 0.985 841 E CA 1.471 57.858 56.400 -0.021 0.000 0.801 841 E CB 0.008 29.676 29.700 -0.054 0.000 0.750 841 E HN 0.559 nan 8.360 nan 0.000 0.452 842 E N 0.605 120.816 120.200 0.019 0.000 2.106 842 E HA -0.130 4.220 4.350 0.000 0.000 0.192 842 E C 1.928 178.540 176.600 0.019 0.000 0.984 842 E CA 0.805 57.219 56.400 0.023 0.000 0.806 842 E CB 0.027 29.747 29.700 0.034 0.000 0.750 842 E HN 0.003 nan 8.360 nan 0.000 0.458 843 V N 0.948 120.873 119.914 0.019 0.000 2.343 843 V HA -0.240 3.880 4.120 0.000 0.000 0.247 843 V C 2.404 178.505 176.094 0.011 0.000 1.051 843 V CA 1.743 64.053 62.300 0.017 0.000 1.036 843 V CB -0.955 30.878 31.823 0.018 0.000 0.654 843 V HN 0.474 nan 8.190 nan 0.000 0.451 844 A N -0.127 122.696 122.820 0.006 0.000 1.940 844 A HA -0.201 4.119 4.320 0.000 0.000 0.219 844 A C 2.354 179.939 177.584 0.002 0.000 1.176 844 A CA 1.497 53.534 52.037 0.000 0.000 0.631 844 A CB -0.408 18.588 19.000 -0.007 0.000 0.814 844 A HN 0.416 nan 8.150 nan 0.000 0.446 845 R N -0.580 119.922 120.500 0.004 0.000 2.115 845 R HA 0.048 4.388 4.340 0.000 0.000 0.226 845 R C 2.388 178.693 176.300 0.009 0.000 1.100 845 R CA 1.207 57.310 56.100 0.006 0.000 0.980 845 R CB -0.939 29.365 30.300 0.007 0.000 0.875 845 R HN 0.526 nan 8.270 nan 0.000 0.445 846 A N 1.162 123.989 122.820 0.013 0.000 1.898 846 A HA -0.116 4.204 4.320 0.000 0.000 0.216 846 A C 2.269 179.862 177.584 0.015 0.000 1.181 846 A CA 1.798 53.845 52.037 0.017 0.000 0.620 846 A CB -0.521 18.491 19.000 0.021 0.000 0.819 846 A HN 0.209 nan 8.150 nan 0.000 0.442 847 V N -2.492 117.429 119.914 0.012 0.000 2.951 847 V HA -0.050 4.070 4.120 0.000 0.000 0.255 847 V C 1.834 177.932 176.094 0.007 0.000 1.088 847 V CA 2.092 64.397 62.300 0.010 0.000 1.109 847 V CB -0.544 31.284 31.823 0.008 0.000 0.724 847 V HN 0.392 nan 8.190 nan 0.000 0.471 848 D N 1.236 121.639 120.400 0.005 0.000 2.117 848 D HA -0.164 4.476 4.640 0.000 0.000 0.198 848 D C 1.764 178.067 176.300 0.005 0.000 0.982 848 D CA 1.726 55.728 54.000 0.002 0.000 0.828 848 D CB -0.133 40.667 40.800 0.001 0.000 0.967 848 D HN 0.488 nan 8.370 nan 0.000 0.464 849 D N -0.298 120.106 120.400 0.007 0.000 2.103 849 D HA -0.018 4.622 4.640 0.000 0.000 0.199 849 D C 1.955 178.261 176.300 0.010 0.000 0.978 849 D CA 1.385 55.390 54.000 0.009 0.000 0.829 849 D CB -0.472 40.335 40.800 0.011 0.000 0.981 849 D HN 0.241 nan 8.370 nan 0.000 0.464 850 A N 0.648 123.475 122.820 0.012 0.000 1.877 850 A HA -0.128 4.192 4.320 0.000 0.000 0.216 850 A C 2.380 179.970 177.584 0.010 0.000 1.186 850 A CA 1.286 53.331 52.037 0.013 0.000 0.620 850 A CB -0.905 18.104 19.000 0.015 0.000 0.822 850 A HN 0.181 nan 8.150 nan 0.000 0.443 851 V N -0.022 119.897 119.914 0.008 0.000 2.759 851 V HA -0.081 4.039 4.120 0.000 0.000 0.256 851 V C 2.299 178.396 176.094 0.006 0.000 1.080 851 V CA 2.092 64.396 62.300 0.006 0.000 1.101 851 V CB -0.678 31.148 31.823 0.004 0.000 0.698 851 V HN 0.570 nan 8.190 nan 0.000 0.477 852 G N -0.126 108.678 108.800 0.006 0.000 2.404 852 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 852 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 852 G C 1.618 176.522 174.900 0.007 0.000 1.189 852 G CA 1.328 46.431 45.100 0.006 0.000 0.789 852 G HN 0.661 nan 8.290 nan 0.000 0.533 853 V N -1.064 118.856 119.914 0.009 0.000 2.809 853 V HA -0.007 4.114 4.120 0.000 0.000 0.256 853 V C 2.630 178.729 176.094 0.010 0.000 1.080 853 V CA 1.120 63.426 62.300 0.010 0.000 1.102 853 V CB -0.425 31.406 31.823 0.012 0.000 0.705 853 V HN 0.118 nan 8.190 nan 0.000 0.475 854 V N 2.102 122.022 119.914 0.009 0.000 2.407 854 V HA -0.081 4.039 4.120 0.000 0.000 0.248 854 V C 2.849 178.948 176.094 0.007 0.000 1.055 854 V CA 2.317 64.622 62.300 0.008 0.000 1.049 854 V CB -1.323 30.505 31.823 0.008 0.000 0.662 854 V HN 0.629 nan 8.190 nan 0.000 0.455 855 G N -1.459 107.345 108.800 0.007 0.000 2.403 855 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 855 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 855 G C 1.717 176.621 174.900 0.006 0.000 1.154 855 G CA 1.143 46.246 45.100 0.005 0.000 0.784 855 G HN 0.529 nan 8.290 nan 0.000 0.538 856 C N 0.569 119.873 119.300 0.007 0.000 2.425 856 C HA -0.015 4.445 4.460 0.000 0.000 0.277 856 C C 3.192 178.187 174.990 0.007 0.000 1.280 856 C CA 1.536 60.559 59.018 0.007 0.000 1.744 856 C CB -0.917 26.828 27.740 0.008 0.000 1.989 856 C HN 0.412 nan 8.230 nan 0.000 0.491 857 T N 0.963 115.522 114.554 0.008 0.000 2.951 857 T HA 0.024 4.374 4.350 0.000 0.000 0.268 857 T C 1.552 176.256 174.700 0.006 0.000 1.073 857 T CA 0.957 63.061 62.100 0.008 0.000 1.134 857 T CB -0.196 68.677 68.868 0.008 0.000 0.884 857 T HN 0.497 nan 8.240 nan 0.000 0.479 858 I N 0.745 121.319 120.570 0.006 0.000 2.439 858 I HA -0.079 4.091 4.170 0.000 0.000 0.251 858 I C 2.467 178.586 176.117 0.004 0.000 1.139 858 I CA 1.191 62.494 61.300 0.005 0.000 1.438 858 I CB -0.201 37.802 38.000 0.005 0.000 1.085 858 I HN 0.298 nan 8.210 nan 0.000 0.427 859 E N 0.123 120.326 120.200 0.005 0.000 2.086 859 E HA -0.047 4.303 4.350 0.000 0.000 0.190 859 E C 0.004 176.607 176.600 0.004 0.000 0.975 859 E CA 0.660 57.062 56.400 0.004 0.000 0.813 859 E CB 0.281 29.983 29.700 0.004 0.000 0.768 859 E HN 0.328 nan 8.360 nan 0.000 0.457 860 D N -0.129 120.274 120.400 0.005 0.000 2.453 860 D HA 0.147 4.787 4.640 0.000 0.000 0.238 860 D C 0.022 176.325 176.300 0.006 0.000 1.088 860 D CA -0.121 53.882 54.000 0.006 0.000 0.854 860 D CB 1.602 42.406 40.800 0.007 0.000 1.076 860 D HN 0.107 nan 8.370 nan 0.000 0.533 861 G N 2.169 110.972 108.800 0.005 0.000 3.279 861 G HA2 -0.029 3.931 3.960 0.000 0.000 0.230 861 G HA3 -0.029 3.931 3.960 0.000 0.000 0.230 861 G C 0.711 175.614 174.900 0.006 0.000 1.230 861 G CA -0.039 45.064 45.100 0.005 0.000 0.891 861 G HN 0.074 nan 8.290 nan 0.000 0.518 862 R N -0.297 120.207 120.500 0.007 0.000 2.589 862 R HA 0.741 5.081 4.340 0.000 0.000 0.293 862 R C -0.854 175.451 176.300 0.010 0.000 0.963 862 R CA -0.646 55.458 56.100 0.008 0.000 0.905 862 R CB 1.873 32.178 30.300 0.007 0.000 1.144 862 R HN 0.172 nan 8.270 nan 0.000 0.459 863 I N 2.417 122.994 120.570 0.011 0.000 2.828 863 I HA 0.643 4.813 4.170 0.000 0.000 0.302 863 I C -1.096 175.030 176.117 0.016 0.000 1.101 863 I CA -1.114 60.194 61.300 0.013 0.000 1.031 863 I CB 2.015 40.023 38.000 0.013 0.000 1.231 863 I HN 0.472 nan 8.210 nan 0.000 0.427 864 V N 2.380 122.305 119.914 0.018 0.000 2.914 864 V HA 0.669 4.789 4.120 0.000 0.000 0.314 864 V C -0.107 176.003 176.094 0.025 0.000 1.084 864 V CA -0.615 61.699 62.300 0.022 0.000 0.963 864 V CB 1.382 33.218 31.823 0.023 0.000 1.025 864 V HN 0.811 nan 8.190 nan 0.000 0.432 865 S N 2.202 117.920 115.700 0.031 0.000 2.562 865 S HA 0.635 5.105 4.470 0.000 0.000 0.281 865 S C 0.525 175.144 174.600 0.033 0.000 1.333 865 S CA 0.185 58.406 58.200 0.035 0.000 1.052 865 S CB 0.782 64.008 63.200 0.043 0.000 0.884 865 S HN 1.775 nan 8.310 nan 0.000 0.506 866 G N 0.423 109.244 108.800 0.035 0.000 2.782 866 G HA2 0.566 4.526 3.960 0.000 0.000 0.201 866 G HA3 0.566 4.526 3.960 0.000 0.000 0.201 866 G C 0.860 175.779 174.900 0.031 0.000 1.374 866 G CA -0.559 44.559 45.100 0.031 0.000 1.039 866 G HN 2.024 nan 8.290 nan 0.000 0.576 867 G N -1.845 106.972 108.800 0.028 0.000 2.225 867 G HA2 0.242 4.202 3.960 0.000 0.000 0.267 867 G HA3 0.242 4.202 3.960 0.000 0.000 0.267 867 G C 1.456 176.357 174.900 0.003 0.000 1.024 867 G CA 1.218 46.329 45.100 0.019 0.000 0.784 867 G HN 2.470 nan 8.290 nan 0.000 0.507 868 G N -1.453 107.344 108.800 -0.005 0.000 2.162 868 G HA2 -0.122 3.838 3.960 0.000 0.000 0.260 868 G HA3 -0.122 3.838 3.960 0.000 0.000 0.260 868 G C 1.486 176.372 174.900 -0.023 0.000 0.976 868 G CA 1.679 46.768 45.100 -0.020 0.000 0.655 868 G HN 1.972 nan 8.290 nan 0.000 0.533 869 S N 0.049 115.749 115.700 -0.001 0.000 2.368 869 S HA -0.164 4.306 4.470 0.000 0.000 0.225 869 S C 2.807 177.393 174.600 -0.022 0.000 1.030 869 S CA 2.756 60.962 58.200 0.010 0.000 0.999 869 S CB -0.580 62.651 63.200 0.052 0.000 0.844 869 S HN 1.375 nan 8.310 nan 0.000 0.459 870 T N 0.121 114.669 114.554 -0.010 0.000 2.614 870 T HA -0.101 4.249 4.350 0.000 0.000 0.263 870 T C 1.573 176.241 174.700 -0.054 0.000 1.055 870 T CA 1.636 63.726 62.100 -0.016 0.000 1.162 870 T CB -1.079 67.789 68.868 0.001 0.000 0.863 870 T HN 0.425 nan 8.240 nan 0.000 0.414 871 E N 1.029 121.199 120.200 -0.050 0.000 2.187 871 E HA -0.094 4.256 4.350 0.000 0.000 0.199 871 E C 2.285 178.824 176.600 -0.100 0.000 1.004 871 E CA 1.084 57.445 56.400 -0.064 0.000 0.813 871 E CB -0.863 28.799 29.700 -0.063 0.000 0.736 871 E HN 0.421 nan 8.360 nan 0.000 0.468 872 V N 1.003 120.834 119.914 -0.139 0.000 2.295 872 V HA -0.232 3.888 4.120 0.000 0.000 0.246 872 V C 2.386 178.251 176.094 -0.382 0.000 1.049 872 V CA 1.874 64.040 62.300 -0.224 0.000 1.024 872 V CB -0.447 31.236 31.823 -0.232 0.000 0.648 872 V HN 0.301 nan 8.190 nan 0.000 0.447 873 E N 0.324 120.240 120.200 -0.474 0.000 2.118 873 E HA -0.207 4.143 4.350 0.000 0.000 0.195 873 E C 2.155 178.677 176.600 -0.131 0.000 0.992 873 E CA 1.491 57.640 56.400 -0.418 0.000 0.804 873 E CB -0.145 29.504 29.700 -0.086 0.000 0.741 873 E HN 0.586 nan 8.360 nan 0.000 0.458 874 L N 0.151 121.325 121.223 -0.081 0.000 2.027 874 L HA -0.138 4.202 4.340 0.000 0.000 0.206 874 L C 2.860 179.739 176.870 0.015 0.000 1.074 874 L CA 1.299 56.138 54.840 -0.002 0.000 0.745 874 L CB -0.579 41.497 42.059 0.029 0.000 0.898 874 L HN 0.105 nan 8.230 nan 0.000 0.433 875 S N -0.454 115.230 115.700 -0.027 0.000 2.368 875 S HA -0.174 4.296 4.470 0.000 0.000 0.225 875 S C 2.136 176.736 174.600 -0.001 0.000 1.030 875 S CA 1.107 59.300 58.200 -0.011 0.000 0.999 875 S CB -0.005 63.169 63.200 -0.044 0.000 0.844 875 S HN 0.195 nan 8.310 nan 0.000 0.459 876 M N 0.957 120.538 119.600 -0.032 0.000 2.086 876 M HA -0.019 4.461 4.480 0.000 0.000 0.261 876 M C 2.243 178.566 176.300 0.039 0.000 1.067 876 M CA 1.649 56.952 55.300 0.005 0.000 1.116 876 M CB -1.255 31.351 32.600 0.011 0.000 1.348 876 M HN 0.266 nan 8.290 nan 0.000 0.407 877 K N 0.669 121.092 120.400 0.038 0.000 2.062 877 K HA 0.013 4.333 4.320 0.000 0.000 0.205 877 K C 1.892 178.538 176.600 0.076 0.000 1.051 877 K CA 0.994 57.308 56.287 0.045 0.000 0.941 877 K CB -0.321 32.189 32.500 0.017 0.000 0.719 877 K HN 0.263 nan 8.250 nan 0.000 0.440 878 L N 0.247 121.526 121.223 0.092 0.000 2.275 878 L HA -0.058 4.282 4.340 0.000 0.000 0.215 878 L C 2.356 179.310 176.870 0.140 0.000 1.119 878 L CA 0.873 55.812 54.840 0.165 0.000 0.790 878 L CB -0.264 41.900 42.059 0.175 0.000 0.919 878 L HN 0.153 nan 8.230 nan 0.000 0.443 879 R N 0.016 120.568 120.500 0.088 0.000 2.081 879 R HA -0.200 4.140 4.340 0.000 0.000 0.235 879 R C 2.186 178.524 176.300 0.064 0.000 1.131 879 R CA 1.512 57.647 56.100 0.058 0.000 0.960 879 R CB -0.176 30.147 30.300 0.038 0.000 0.856 879 R HN 0.376 nan 8.270 nan 0.000 0.436 880 E N -0.250 120.000 120.200 0.082 0.000 2.152 880 E HA -0.202 4.148 4.350 0.000 0.000 0.192 880 E C 1.589 178.271 176.600 0.136 0.000 0.983 880 E CA 0.698 57.149 56.400 0.085 0.000 0.818 880 E CB -0.014 29.730 29.700 0.074 0.000 0.758 880 E HN 0.253 nan 8.360 nan 0.000 0.467 881 Y N 0.931 121.226 120.300 -0.007 0.000 2.181 881 Y HA -0.137 4.413 4.550 0.000 0.000 0.288 881 Y C 2.051 177.938 175.900 -0.022 0.000 1.146 881 Y CA 1.268 59.357 58.100 -0.018 0.000 1.164 881 Y CB -0.826 37.616 38.460 -0.030 0.000 0.982 881 Y HN 0.130 nan 8.280 nan 0.000 0.515 882 A N 0.156 122.958 122.820 -0.030 0.000 1.908 882 A HA -0.180 4.140 4.320 0.000 0.000 0.218 882 A C 2.145 179.682 177.584 -0.079 0.000 1.181 882 A CA 1.893 53.864 52.037 -0.110 0.000 0.627 882 A CB -0.524 18.449 19.000 -0.045 0.000 0.818 882 A HN 0.478 nan 8.150 nan 0.000 0.445 883 E N -0.568 119.620 120.200 -0.021 0.000 2.106 883 E HA -0.105 4.245 4.350 0.000 0.000 0.192 883 E C 2.175 178.767 176.600 -0.013 0.000 0.984 883 E CA 1.103 57.498 56.400 -0.009 0.000 0.806 883 E CB -0.638 29.070 29.700 0.013 0.000 0.750 883 E HN 0.591 nan 8.360 nan 0.000 0.458 884 G N 1.107 109.908 108.800 0.002 0.000 2.403 884 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 884 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 884 G C 1.749 176.625 174.900 -0.039 0.000 1.154 884 G CA 0.289 45.398 45.100 0.015 0.000 0.784 884 G HN 0.152 nan 8.290 nan 0.000 0.538 885 I N -0.172 120.319 120.570 -0.132 0.000 2.202 885 I HA -0.013 4.157 4.170 0.000 0.000 0.242 885 I C 1.740 177.795 176.117 -0.102 0.000 1.091 885 I CA 0.764 61.958 61.300 -0.176 0.000 1.368 885 I CB -0.282 37.518 38.000 -0.334 0.000 1.058 885 I HN 0.314 nan 8.210 nan 0.000 0.410 886 S N -1.118 114.530 115.700 -0.087 0.000 3.443 886 S HA -0.141 4.329 4.470 0.000 0.000 0.635 886 S C 0.560 175.130 174.600 -0.049 0.000 2.555 886 S CA 0.868 59.037 58.200 -0.052 0.000 2.778 886 S CB -1.385 61.794 63.200 -0.034 0.000 0.331 886 S HN 1.357 nan 8.310 nan 0.000 1.765 887 G N 0.783 109.564 108.800 -0.030 0.000 2.547 887 G HA2 -0.319 3.641 3.960 0.000 0.000 0.271 887 G HA3 -0.319 3.641 3.960 0.000 0.000 0.271 887 G C 0.366 175.256 174.900 -0.016 0.000 1.209 887 G CA 1.068 46.154 45.100 -0.022 0.000 0.959 887 G HN 1.148 nan 8.290 nan 0.000 0.563 888 R N 0.572 121.066 120.500 -0.010 0.000 2.127 888 R HA 0.135 4.475 4.340 0.000 0.000 0.217 888 R C 2.483 178.785 176.300 0.003 0.000 1.074 888 R CA 1.508 57.611 56.100 0.005 0.000 0.991 888 R CB -0.189 30.122 30.300 0.018 0.000 0.895 888 R HN 0.603 nan 8.270 nan 0.000 0.450 889 E N 1.267 121.456 120.200 -0.018 0.000 2.204 889 E HA -0.236 4.114 4.350 0.000 0.000 0.195 889 E C 1.984 178.550 176.600 -0.057 0.000 0.990 889 E CA 1.417 57.797 56.400 -0.034 0.000 0.821 889 E CB -0.093 29.564 29.700 -0.072 0.000 0.750 889 E HN 0.469 nan 8.360 nan 0.000 0.477 890 Q N 0.198 119.961 119.800 -0.062 0.000 2.170 890 Q HA -0.168 4.172 4.340 0.000 0.000 0.203 890 Q C 1.716 177.696 176.000 -0.033 0.000 0.976 890 Q CA 1.040 56.801 55.803 -0.069 0.000 0.858 890 Q CB -0.208 28.497 28.738 -0.054 0.000 0.907 890 Q HN 0.205 nan 8.270 nan 0.000 0.433 891 L N 1.076 122.297 121.223 -0.004 0.000 2.093 891 L HA -0.014 4.326 4.340 0.000 0.000 0.208 891 L C 2.533 179.432 176.870 0.048 0.000 1.085 891 L CA 1.867 56.720 54.840 0.022 0.000 0.755 891 L CB -0.981 41.099 42.059 0.034 0.000 0.904 891 L HN 0.393 nan 8.230 nan 0.000 0.435 892 A N -1.322 121.539 122.820 0.069 0.000 1.929 892 A HA -0.094 4.226 4.320 0.000 0.000 0.216 892 A C 2.321 179.857 177.584 -0.079 0.000 1.176 892 A CA 1.550 53.679 52.037 0.153 0.000 0.628 892 A CB -0.739 18.409 19.000 0.247 0.000 0.816 892 A HN 0.192 nan 8.150 nan 0.000 0.444 893 V N -0.003 119.852 119.914 -0.098 0.000 2.427 893 V HA -0.190 3.930 4.120 0.000 0.000 0.248 893 V C 2.634 178.699 176.094 -0.050 0.000 1.051 893 V CA 2.194 64.410 62.300 -0.139 0.000 1.048 893 V CB -0.780 30.942 31.823 -0.168 0.000 0.666 893 V HN 0.599 nan 8.190 nan 0.000 0.456 894 R N 1.205 121.687 120.500 -0.030 0.000 2.081 894 R HA -0.061 4.279 4.340 0.000 0.000 0.235 894 R C 2.154 178.452 176.300 -0.003 0.000 1.131 894 R CA 1.850 57.948 56.100 -0.003 0.000 0.960 894 R CB -0.919 29.382 30.300 0.002 0.000 0.856 894 R HN 0.435 nan 8.270 nan 0.000 0.436 895 A N -0.503 122.314 122.820 -0.005 0.000 1.930 895 A HA -0.120 4.200 4.320 0.000 0.000 0.217 895 A C 2.161 179.700 177.584 -0.074 0.000 1.175 895 A CA 1.334 53.380 52.037 0.015 0.000 0.627 895 A CB -0.820 18.269 19.000 0.149 0.000 0.815 895 A HN 0.481 nan 8.150 nan 0.000 0.443 896 F N 0.882 120.571 119.950 -0.435 0.000 2.075 896 F HA -0.065 4.462 4.527 0.000 0.000 0.297 896 F C 2.553 178.237 175.800 -0.194 0.000 1.113 896 F CA 1.539 59.250 58.000 -0.481 0.000 1.218 896 F CB -0.347 38.263 39.000 -0.649 0.000 0.984 896 F HN 0.244 nan 8.300 nan 0.000 0.472 897 A N -0.160 122.721 122.820 0.102 0.000 1.933 897 A HA -0.188 4.132 4.320 0.000 0.000 0.218 897 A C 1.892 179.449 177.584 -0.046 0.000 1.175 897 A CA 2.006 54.081 52.037 0.064 0.000 0.628 897 A CB -0.961 18.095 19.000 0.093 0.000 0.814 897 A HN 0.463 nan 8.150 nan 0.000 0.444 898 D N -0.051 120.321 120.400 -0.046 0.000 2.149 898 D HA 0.022 4.662 4.640 0.000 0.000 0.201 898 D C 2.188 178.441 176.300 -0.078 0.000 0.972 898 D CA 1.347 55.319 54.000 -0.048 0.000 0.835 898 D CB -0.368 40.417 40.800 -0.024 0.000 0.966 898 D HN 0.415 nan 8.370 nan 0.000 0.476 899 A N 0.477 123.226 122.820 -0.117 0.000 1.969 899 A HA -0.117 4.203 4.320 0.000 0.000 0.218 899 A C 2.019 179.497 177.584 -0.177 0.000 1.169 899 A CA 0.763 52.718 52.037 -0.137 0.000 0.635 899 A CB -0.529 18.378 19.000 -0.154 0.000 0.810 899 A HN 0.140 nan 8.150 nan 0.000 0.445 900 L N 0.274 121.352 121.223 -0.242 0.000 2.191 900 L HA -0.140 4.200 4.340 0.000 0.000 0.212 900 L C 1.998 178.794 176.870 -0.124 0.000 1.103 900 L CA 1.660 56.373 54.840 -0.212 0.000 0.769 900 L CB -0.755 41.175 42.059 -0.215 0.000 0.908 900 L HN 0.479 nan 8.230 nan 0.000 0.438 901 E N -1.382 118.758 120.200 -0.099 0.000 2.515 901 E HA -0.131 4.219 4.350 0.000 0.000 0.201 901 E C 2.188 178.750 176.600 -0.064 0.000 1.071 901 E CA 0.261 56.618 56.400 -0.072 0.000 0.880 901 E CB -0.065 29.601 29.700 -0.058 0.000 0.828 901 E HN 0.294 nan 8.360 nan 0.000 0.540 902 V N 1.042 120.914 119.914 -0.071 0.000 2.594 902 V HA -0.238 3.882 4.120 0.000 0.000 0.253 902 V C 1.717 177.779 176.094 -0.053 0.000 1.069 902 V CA 1.237 63.502 62.300 -0.059 0.000 1.082 902 V CB -0.172 31.614 31.823 -0.062 0.000 0.680 902 V HN 0.275 nan 8.190 nan 0.000 0.469 903 I N 0.356 120.892 120.570 -0.057 0.000 2.162 903 I HA -0.018 4.152 4.170 0.000 0.000 0.238 903 I C 0.246 176.336 176.117 -0.045 0.000 1.076 903 I CA 1.416 62.687 61.300 -0.049 0.000 1.353 903 I CB -2.840 35.131 38.000 -0.048 0.000 1.063 903 I HN 0.304 nan 8.210 nan 0.000 0.408 904 P HA -0.194 nan 4.420 nan 0.000 0.216 904 P C 1.842 179.120 177.300 -0.038 0.000 1.157 904 P CA 1.544 64.621 63.100 -0.040 0.000 0.880 904 P CB -0.219 31.456 31.700 -0.042 0.000 0.791 905 R N -0.013 120.463 120.500 -0.039 0.000 2.096 905 R HA -0.140 4.200 4.340 0.000 0.000 0.240 905 R C 1.922 178.200 176.300 -0.036 0.000 1.139 905 R CA 2.769 58.847 56.100 -0.036 0.000 0.952 905 R CB -1.486 28.792 30.300 -0.036 0.000 0.854 905 R HN 0.284 nan 8.270 nan 0.000 0.436 906 T N -1.582 112.948 114.554 -0.039 0.000 3.067 906 T HA 0.020 4.370 4.350 0.000 0.000 0.257 906 T C 2.006 176.678 174.700 -0.046 0.000 1.105 906 T CA 0.097 62.173 62.100 -0.040 0.000 1.104 906 T CB -0.042 68.802 68.868 -0.039 0.000 0.925 906 T HN 0.025 nan 8.240 nan 0.000 0.498 907 L N 1.677 122.871 121.223 -0.049 0.000 2.083 907 L HA 0.229 4.569 4.340 0.000 0.000 0.209 907 L C 2.927 179.757 176.870 -0.066 0.000 1.083 907 L CA 1.630 56.433 54.840 -0.061 0.000 0.752 907 L CB -1.201 40.825 42.059 -0.055 0.000 0.899 907 L HN 0.455 nan 8.230 nan 0.000 0.433 908 A N -1.538 121.252 122.820 -0.050 0.000 1.935 908 A HA -0.117 4.203 4.320 0.000 0.000 0.214 908 A C 2.230 179.789 177.584 -0.043 0.000 1.178 908 A CA 1.009 53.018 52.037 -0.046 0.000 0.640 908 A CB -0.366 18.614 19.000 -0.033 0.000 0.825 908 A HN 0.342 nan 8.150 nan 0.000 0.447 909 E N 1.615 121.791 120.200 -0.038 0.000 2.033 909 E HA -0.258 4.092 4.350 0.000 0.000 0.199 909 E C 1.683 178.261 176.600 -0.036 0.000 1.011 909 E CA 2.052 58.432 56.400 -0.034 0.000 0.815 909 E CB -0.253 29.428 29.700 -0.031 0.000 0.755 909 E HN 0.768 nan 8.360 nan 0.000 0.451 910 N N -0.124 118.551 118.700 -0.042 0.000 2.467 910 N HA 0.014 4.754 4.740 0.000 0.000 0.184 910 N C 1.077 176.554 175.510 -0.054 0.000 1.106 910 N CA 1.056 54.080 53.050 -0.044 0.000 0.892 910 N CB -0.196 38.264 38.487 -0.044 0.000 0.969 910 N HN 0.189 nan 8.380 nan 0.000 0.454 911 A N -0.226 122.555 122.820 -0.065 0.000 2.208 911 A HA 0.480 4.800 4.320 0.000 0.000 0.209 911 A C 1.625 179.177 177.584 -0.054 0.000 1.161 911 A CA 0.466 52.456 52.037 -0.078 0.000 0.782 911 A CB -0.767 18.171 19.000 -0.104 0.000 0.816 911 A HN 0.615 nan 8.150 nan 0.000 0.477 912 G N -1.626 107.150 108.800 -0.040 0.000 2.132 912 G HA2 -0.147 3.813 3.960 0.000 0.000 0.234 912 G HA3 -0.147 3.813 3.960 0.000 0.000 0.234 912 G C -0.169 174.717 174.900 -0.023 0.000 0.989 912 G CA 0.197 45.280 45.100 -0.028 0.000 0.676 912 G HN 0.278 nan 8.290 nan 0.000 0.522 913 L N 0.790 121.997 121.223 -0.027 0.000 2.344 913 L HA 0.517 4.857 4.340 0.000 0.000 0.272 913 L C 0.283 177.141 176.870 -0.019 0.000 1.035 913 L CA -0.846 53.981 54.840 -0.021 0.000 0.807 913 L CB 1.369 43.414 42.059 -0.023 0.000 1.237 913 L HN 0.211 nan 8.230 nan 0.000 0.442 914 D N 1.427 121.819 120.400 -0.014 0.000 2.346 914 D HA 0.113 4.753 4.640 0.000 0.000 0.260 914 D C 0.829 177.120 176.300 -0.015 0.000 1.252 914 D CA 0.112 54.104 54.000 -0.013 0.000 0.895 914 D CB 1.602 42.396 40.800 -0.009 0.000 1.097 914 D HN 0.642 nan 8.370 nan 0.000 0.489 915 A N 5.459 128.268 122.820 -0.017 0.000 1.908 915 A HA -0.192 4.128 4.320 0.000 0.000 0.218 915 A C 2.139 179.714 177.584 -0.016 0.000 1.181 915 A CA 0.881 52.906 52.037 -0.019 0.000 0.627 915 A CB -0.236 18.751 19.000 -0.022 0.000 0.818 915 A HN 0.710 nan 8.150 nan 0.000 0.445 916 I N -0.257 120.306 120.570 -0.013 0.000 2.163 916 I HA -0.201 3.969 4.170 0.000 0.000 0.240 916 I C 2.476 178.588 176.117 -0.007 0.000 1.081 916 I CA 1.859 63.153 61.300 -0.010 0.000 1.353 916 I CB -1.518 36.477 38.000 -0.009 0.000 1.054 916 I HN 0.572 nan 8.210 nan 0.000 0.407 917 E N 0.938 121.134 120.200 -0.006 0.000 2.077 917 E HA -0.207 4.143 4.350 0.000 0.000 0.193 917 E C 2.313 178.912 176.600 -0.002 0.000 0.989 917 E CA 1.122 57.521 56.400 -0.003 0.000 0.800 917 E CB 0.191 29.889 29.700 -0.003 0.000 0.746 917 E HN 0.238 nan 8.360 nan 0.000 0.452 918 I N 0.860 121.427 120.570 -0.005 0.000 2.202 918 I HA -0.234 3.936 4.170 0.000 0.000 0.242 918 I C 2.398 178.514 176.117 -0.003 0.000 1.091 918 I CA 0.808 62.106 61.300 -0.003 0.000 1.368 918 I CB -0.964 37.031 38.000 -0.008 0.000 1.058 918 I HN 0.244 nan 8.210 nan 0.000 0.410 919 L N 0.137 121.355 121.223 -0.008 0.000 2.083 919 L HA -0.147 4.193 4.340 0.000 0.000 0.209 919 L C 2.574 179.442 176.870 -0.003 0.000 1.083 919 L CA 1.266 56.101 54.840 -0.010 0.000 0.752 919 L CB -1.001 41.048 42.059 -0.016 0.000 0.899 919 L HN -0.001 nan 8.230 nan 0.000 0.433 920 V N -0.824 119.090 119.914 -0.000 0.000 2.358 920 V HA -0.272 3.848 4.120 0.000 0.000 0.246 920 V C 2.422 178.523 176.094 0.011 0.000 1.047 920 V CA 1.565 63.868 62.300 0.004 0.000 1.035 920 V CB -0.492 31.333 31.823 0.003 0.000 0.658 920 V HN 0.427 nan 8.190 nan 0.000 0.452 921 K N -0.409 119.997 120.400 0.010 0.000 2.097 921 K HA -0.075 4.245 4.320 0.000 0.000 0.205 921 K C 2.018 178.632 176.600 0.023 0.000 1.050 921 K CA 1.112 57.408 56.287 0.015 0.000 0.938 921 K CB -0.203 32.304 32.500 0.012 0.000 0.718 921 K HN 0.324 nan 8.250 nan 0.000 0.442 922 V N 1.152 121.079 119.914 0.022 0.000 2.346 922 V HA -0.163 3.957 4.120 0.000 0.000 0.244 922 V C 2.134 178.258 176.094 0.051 0.000 1.037 922 V CA 1.451 63.771 62.300 0.033 0.000 1.029 922 V CB -0.387 31.446 31.823 0.017 0.000 0.663 922 V HN 0.230 nan 8.190 nan 0.000 0.454 923 R N 0.379 120.897 120.500 0.030 0.000 2.096 923 R HA -0.104 4.236 4.340 0.000 0.000 0.235 923 R C 2.410 178.752 176.300 0.071 0.000 1.127 923 R CA 1.475 57.596 56.100 0.035 0.000 0.968 923 R CB -0.586 29.718 30.300 0.006 0.000 0.861 923 R HN 0.530 nan 8.270 nan 0.000 0.440 924 A N 1.259 124.109 122.820 0.050 0.000 1.898 924 A HA -0.069 4.251 4.320 0.000 0.000 0.216 924 A C 2.376 179.992 177.584 0.054 0.000 1.181 924 A CA 1.538 53.603 52.037 0.047 0.000 0.620 924 A CB -0.607 18.410 19.000 0.029 0.000 0.819 924 A HN 0.382 nan 8.150 nan 0.000 0.442 925 A N -1.183 121.671 122.820 0.057 0.000 1.933 925 A HA -0.224 4.096 4.320 0.000 0.000 0.218 925 A C 2.138 179.759 177.584 0.062 0.000 1.175 925 A CA 1.777 53.844 52.037 0.050 0.000 0.628 925 A CB -0.914 18.115 19.000 0.047 0.000 0.814 925 A HN 0.766 nan 8.150 nan 0.000 0.444 926 H N 0.011 119.084 119.070 0.004 0.000 2.299 926 H HA -0.047 4.510 4.556 0.000 0.000 0.302 926 H C 2.330 177.660 175.328 0.004 0.000 1.078 926 H CA 1.769 57.820 56.048 0.005 0.000 1.323 926 H CB -0.282 29.483 29.762 0.005 0.000 1.381 926 H HN 0.390 nan 8.280 nan 0.000 0.498 927 A N 0.013 122.901 122.820 0.113 0.000 1.940 927 A HA -0.178 4.142 4.320 0.000 0.000 0.219 927 A C 2.775 180.346 177.584 -0.023 0.000 1.176 927 A CA 2.099 54.168 52.037 0.052 0.000 0.631 927 A CB -0.825 18.225 19.000 0.083 0.000 0.814 927 A HN 0.518 nan 8.150 nan 0.000 0.446 928 S N -0.656 115.034 115.700 -0.017 0.000 2.341 928 S HA -0.067 4.403 4.470 0.000 0.000 0.216 928 S C 1.860 176.432 174.600 -0.047 0.000 1.034 928 S CA 0.964 59.150 58.200 -0.023 0.000 0.964 928 S CB -0.385 62.811 63.200 -0.006 0.000 0.882 928 S HN 0.639 nan 8.310 nan 0.000 0.469 929 N N 0.985 119.652 118.700 -0.054 0.000 2.416 929 N HA 0.214 4.954 4.740 0.000 0.000 0.177 929 N C 1.042 176.493 175.510 -0.098 0.000 1.036 929 N CA 0.941 53.957 53.050 -0.058 0.000 0.901 929 N CB 0.464 38.931 38.487 -0.033 0.000 0.976 929 N HN 0.595 nan 8.380 nan 0.000 0.444 930 G N 0.651 109.337 108.800 -0.189 0.000 2.352 930 G HA2 -0.183 3.777 3.960 0.000 0.000 0.324 930 G HA3 -0.183 3.777 3.960 0.000 0.000 0.324 930 G C -0.113 174.548 174.900 -0.399 0.000 1.249 930 G CA -0.192 44.754 45.100 -0.258 0.000 1.053 930 G HN 0.242 nan 8.290 nan 0.000 0.492 931 N N -0.274 118.280 118.700 -0.242 0.000 2.368 931 N HA 0.095 4.835 4.740 0.000 0.000 0.176 931 N C 1.616 177.144 175.510 0.030 0.000 1.021 931 N CA 0.913 53.909 53.050 -0.090 0.000 0.888 931 N CB 0.107 38.598 38.487 0.005 0.000 0.995 931 N HN 0.282 nan 8.380 nan 0.000 0.437 932 K N -0.209 120.189 120.400 -0.005 0.000 2.374 932 K HA 0.271 4.591 4.320 0.000 0.000 0.196 932 K C -0.646 175.963 176.600 0.015 0.000 1.023 932 K CA 0.148 56.444 56.287 0.016 0.000 1.103 932 K CB 0.546 33.049 32.500 0.005 0.000 0.848 932 K HN 0.115 nan 8.250 nan 0.000 0.528 933 C N 1.003 120.304 119.300 0.001 0.000 3.094 933 C HA 0.816 5.276 4.460 0.000 0.000 0.262 933 C C 0.350 175.357 174.990 0.027 0.000 1.459 933 C CA -0.723 58.297 59.018 0.003 0.000 1.570 933 C CB -1.224 26.502 27.740 -0.024 0.000 2.056 933 C HN 0.467 nan 8.230 nan 0.000 0.499 934 A N 0.479 123.338 122.820 0.064 0.000 5.650 934 A HA 0.952 5.272 4.320 0.000 0.000 0.194 934 A C 0.232 177.861 177.584 0.075 0.000 0.895 934 A CA 0.396 52.488 52.037 0.091 0.000 0.804 934 A CB -0.453 18.654 19.000 0.178 0.000 2.103 934 A HN 2.020 nan 8.150 nan 0.000 1.022 935 G N -1.919 106.924 108.800 0.071 0.000 2.888 935 G HA2 0.251 4.211 3.960 0.000 0.000 0.441 935 G HA3 0.251 4.211 3.960 0.000 0.000 0.441 935 G C -0.830 174.089 174.900 0.033 0.000 1.461 935 G CA -0.069 45.056 45.100 0.041 0.000 0.897 935 G HN 1.440 nan 8.290 nan 0.000 0.547 936 L N 0.508 121.743 121.223 0.020 0.000 2.292 936 L HA 0.497 4.837 4.340 0.000 0.000 0.284 936 L C 0.578 177.464 176.870 0.027 0.000 1.065 936 L CA -0.453 54.394 54.840 0.013 0.000 0.806 936 L CB 1.611 43.664 42.059 -0.010 0.000 1.175 936 L HN 0.626 nan 8.230 nan 0.000 0.431 937 N N 1.203 119.927 118.700 0.040 0.000 2.699 937 N HA 0.211 4.951 4.740 0.000 0.000 0.232 937 N C 0.842 176.377 175.510 0.042 0.000 1.027 937 N CA -0.360 52.738 53.050 0.080 0.000 0.920 937 N CB 0.963 39.512 38.487 0.105 0.000 1.148 937 N HN 0.445 nan 8.380 nan 0.000 0.509 938 V N 0.782 120.668 119.914 -0.048 0.000 2.913 938 V HA -0.034 4.086 4.120 0.000 0.000 0.260 938 V C 1.439 177.425 176.094 -0.181 0.000 1.098 938 V CA 1.229 63.437 62.300 -0.153 0.000 1.121 938 V CB -1.200 30.464 31.823 -0.265 0.000 0.714 938 V HN 0.409 nan 8.190 nan 0.000 0.487 939 F N 2.505 122.455 119.950 0.001 0.000 2.206 939 F HA -0.055 4.472 4.527 0.000 0.000 0.298 939 F C 2.728 178.529 175.800 0.002 0.000 1.090 939 F CA 1.861 59.862 58.000 0.002 0.000 1.323 939 F CB -0.386 38.616 39.000 0.002 0.000 1.028 939 F HN 0.366 nan 8.300 nan 0.000 0.492 940 T N -3.769 110.893 114.554 0.179 0.000 3.022 940 T HA 0.363 4.713 4.350 0.000 0.000 0.250 940 T C 1.437 176.169 174.700 0.052 0.000 1.060 940 T CA 0.421 62.579 62.100 0.096 0.000 1.013 940 T CB 0.270 69.185 68.868 0.079 0.000 0.982 940 T HN 0.376 nan 8.240 nan 0.000 0.508 941 G N 1.057 109.878 108.800 0.037 0.000 2.291 941 G HA2 0.287 4.247 3.960 0.000 0.000 0.271 941 G HA3 0.287 4.247 3.960 0.000 0.000 0.271 941 G C 0.036 174.943 174.900 0.012 0.000 1.099 941 G CA -0.229 44.875 45.100 0.008 0.000 0.919 941 G HN 1.394 nan 8.290 nan 0.000 0.496 942 A N -1.508 121.324 122.820 0.020 0.000 2.601 942 A HA 0.903 5.223 4.320 0.000 0.000 0.291 942 A C 0.036 177.635 177.584 0.024 0.000 1.075 942 A CA 0.110 52.159 52.037 0.020 0.000 0.671 942 A CB 1.398 20.412 19.000 0.023 0.000 1.277 942 A HN 1.818 nan 8.150 nan 0.000 0.417 943 V N 1.419 121.346 119.914 0.022 0.000 2.673 943 V HA 0.451 4.571 4.120 0.000 0.000 0.303 943 V C -0.040 176.073 176.094 0.032 0.000 1.046 943 V CA 0.935 63.252 62.300 0.027 0.000 1.126 943 V CB 0.516 32.355 31.823 0.026 0.000 0.934 943 V HN 0.908 nan 8.190 nan 0.000 0.487 944 E N 3.613 123.835 120.200 0.037 0.000 2.350 944 E HA 0.448 4.798 4.350 0.000 0.000 0.243 944 E C -1.650 174.972 176.600 0.037 0.000 0.959 944 E CA -0.716 55.706 56.400 0.037 0.000 0.883 944 E CB 0.865 30.591 29.700 0.044 0.000 1.820 944 E HN 0.659 nan 8.360 nan 0.000 0.441 945 D N 1.402 121.822 120.400 0.033 0.000 2.427 945 D HA 0.234 4.874 4.640 0.000 0.000 0.226 945 D C 1.086 177.407 176.300 0.035 0.000 1.076 945 D CA -0.304 53.714 54.000 0.030 0.000 0.849 945 D CB 1.022 41.833 40.800 0.019 0.000 1.052 945 D HN 0.162 nan 8.370 nan 0.000 0.515 946 M N 0.387 120.013 119.600 0.043 0.000 2.099 946 M HA -0.123 4.357 4.480 0.000 0.000 0.262 946 M C 2.286 178.608 176.300 0.036 0.000 1.067 946 M CA 0.886 56.214 55.300 0.047 0.000 1.124 946 M CB -0.827 31.803 32.600 0.051 0.000 1.353 946 M HN 0.502 nan 8.290 nan 0.000 0.410 947 C N 0.701 120.020 119.300 0.031 0.000 2.429 947 C HA -0.163 4.297 4.460 0.000 0.000 0.277 947 C C 2.707 177.706 174.990 0.015 0.000 1.262 947 C CA 1.347 60.378 59.018 0.022 0.000 1.733 947 C CB -0.930 26.822 27.740 0.020 0.000 2.010 947 C HN 0.633 nan 8.230 nan 0.000 0.483 948 E N 0.130 120.338 120.200 0.014 0.000 2.118 948 E HA -0.202 4.148 4.350 0.000 0.000 0.195 948 E C 1.207 177.810 176.600 0.005 0.000 0.992 948 E CA 1.355 57.759 56.400 0.008 0.000 0.804 948 E CB -0.144 29.560 29.700 0.008 0.000 0.741 948 E HN 0.630 nan 8.360 nan 0.000 0.458 949 N N -0.526 118.180 118.700 0.011 0.000 2.398 949 N HA 0.040 4.780 4.740 0.000 0.000 0.188 949 N C 0.593 176.102 175.510 -0.002 0.000 1.122 949 N CA 0.911 53.963 53.050 0.003 0.000 0.866 949 N CB 0.944 39.440 38.487 0.015 0.000 0.970 949 N HN 0.320 nan 8.380 nan 0.000 0.462 950 G N 0.152 108.955 108.800 0.005 0.000 2.160 950 G HA2 -0.260 3.700 3.960 0.000 0.000 0.251 950 G HA3 -0.260 3.700 3.960 0.000 0.000 0.251 950 G C -0.075 174.835 174.900 0.017 0.000 1.008 950 G CA 0.151 45.254 45.100 0.005 0.000 0.724 950 G HN 0.197 nan 8.290 nan 0.000 0.514 951 V N 1.379 121.313 119.914 0.034 0.000 2.222 951 V HA 0.482 4.602 4.120 0.000 0.000 0.253 951 V C 0.790 176.912 176.094 0.047 0.000 1.210 951 V CA 0.112 62.446 62.300 0.058 0.000 1.079 951 V CB 0.492 32.368 31.823 0.088 0.000 1.265 951 V HN 1.022 nan 8.190 nan 0.000 0.494 952 V N 1.231 121.168 119.914 0.038 0.000 2.876 952 V HA 0.795 4.915 4.120 0.000 0.000 0.312 952 V C -0.702 175.409 176.094 0.029 0.000 1.085 952 V CA -0.820 61.499 62.300 0.031 0.000 0.945 952 V CB 2.484 34.321 31.823 0.023 0.000 1.017 952 V HN 0.625 nan 8.190 nan 0.000 0.428 953 E N 2.860 123.075 120.200 0.025 0.000 2.317 953 E HA 0.533 4.883 4.350 0.000 0.000 0.270 953 E C -2.972 173.639 176.600 0.018 0.000 0.885 953 E CA -2.264 54.149 56.400 0.022 0.000 0.760 953 E CB 2.743 32.456 29.700 0.021 0.000 1.227 953 E HN 0.550 nan 8.360 nan 0.000 0.434 954 P HA -0.098 nan 4.420 nan 0.000 0.266 954 P C 0.506 177.815 177.300 0.014 0.000 1.193 954 P CA -0.099 63.009 63.100 0.014 0.000 0.770 954 P CB 0.529 32.236 31.700 0.013 0.000 0.836 955 L N 4.072 125.303 121.223 0.014 0.000 2.042 955 L HA -0.172 4.168 4.340 0.000 0.000 0.210 955 L C 2.345 179.223 176.870 0.014 0.000 1.076 955 L CA 1.868 56.716 54.840 0.014 0.000 0.749 955 L CB -0.839 41.227 42.059 0.013 0.000 0.893 955 L HN 0.308 nan 8.230 nan 0.000 0.432 956 R N -0.967 119.541 120.500 0.013 0.000 2.127 956 R HA -0.150 4.190 4.340 0.000 0.000 0.238 956 R C 2.045 178.354 176.300 0.014 0.000 1.134 956 R CA 1.791 57.899 56.100 0.013 0.000 0.975 956 R CB -0.299 30.008 30.300 0.012 0.000 0.865 956 R HN 0.395 nan 8.270 nan 0.000 0.447 957 V N 1.441 121.363 119.914 0.014 0.000 2.255 957 V HA -0.275 3.845 4.120 0.000 0.000 0.247 957 V C 2.285 178.387 176.094 0.014 0.000 1.051 957 V CA 1.875 64.183 62.300 0.013 0.000 1.018 957 V CB -0.357 31.473 31.823 0.013 0.000 0.641 957 V HN 0.292 nan 8.190 nan 0.000 0.445 958 K N -0.392 120.017 120.400 0.015 0.000 2.167 958 K HA -0.008 4.312 4.320 0.000 0.000 0.203 958 K C 2.176 178.790 176.600 0.023 0.000 1.052 958 K CA 1.290 57.587 56.287 0.016 0.000 0.956 958 K CB -0.655 31.854 32.500 0.015 0.000 0.735 958 K HN 0.494 nan 8.250 nan 0.000 0.451 959 T N 1.373 115.941 114.554 0.023 0.000 2.812 959 T HA -0.133 4.217 4.350 0.000 0.000 0.264 959 T C 1.911 176.630 174.700 0.031 0.000 1.042 959 T CA 1.289 63.406 62.100 0.028 0.000 1.140 959 T CB -0.033 68.848 68.868 0.022 0.000 0.870 959 T HN 0.122 nan 8.240 nan 0.000 0.445 960 Q N 1.323 121.138 119.800 0.025 0.000 2.123 960 Q HA 0.170 4.510 4.340 0.000 0.000 0.199 960 Q C 2.248 178.265 176.000 0.028 0.000 0.966 960 Q CA 1.523 57.341 55.803 0.025 0.000 0.845 960 Q CB -0.669 28.081 28.738 0.019 0.000 0.907 960 Q HN 0.471 nan 8.270 nan 0.000 0.439 961 A N 0.524 123.359 122.820 0.024 0.000 1.883 961 A HA -0.156 4.164 4.320 0.000 0.000 0.217 961 A C 1.939 179.542 177.584 0.030 0.000 1.186 961 A CA 1.594 53.643 52.037 0.020 0.000 0.624 961 A CB -0.680 18.326 19.000 0.011 0.000 0.822 961 A HN 0.444 nan 8.150 nan 0.000 0.444 962 I N -0.371 120.225 120.570 0.044 0.000 2.252 962 I HA -0.178 3.992 4.170 0.000 0.000 0.245 962 I C 2.661 178.839 176.117 0.101 0.000 1.102 962 I CA 1.161 62.509 61.300 0.081 0.000 1.385 962 I CB -1.430 36.632 38.000 0.103 0.000 1.064 962 I HN 0.361 nan 8.210 nan 0.000 0.414 963 Q N 0.702 120.546 119.800 0.074 0.000 2.002 963 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 963 Q C 2.505 178.546 176.000 0.067 0.000 0.988 963 Q CA 1.881 57.726 55.803 0.069 0.000 0.843 963 Q CB -0.549 28.217 28.738 0.047 0.000 0.908 963 Q HN 0.387 nan 8.270 nan 0.000 0.420 964 S N 0.820 116.551 115.700 0.051 0.000 2.356 964 S HA -0.132 4.338 4.470 0.000 0.000 0.223 964 S C 1.944 176.576 174.600 0.052 0.000 1.032 964 S CA 1.148 59.375 58.200 0.044 0.000 1.005 964 S CB -0.275 62.943 63.200 0.031 0.000 0.867 964 S HN 0.517 nan 8.310 nan 0.000 0.449 965 A N 1.398 124.250 122.820 0.054 0.000 1.873 965 A HA 0.165 4.485 4.320 0.000 0.000 0.215 965 A C 2.332 179.973 177.584 0.095 0.000 1.186 965 A CA 1.708 53.775 52.037 0.051 0.000 0.616 965 A CB -1.071 17.943 19.000 0.023 0.000 0.823 965 A HN 0.515 nan 8.150 nan 0.000 0.442 966 A N -0.694 122.218 122.820 0.154 0.000 1.898 966 A HA -0.024 4.296 4.320 0.000 0.000 0.214 966 A C 1.961 179.674 177.584 0.216 0.000 1.183 966 A CA 1.910 54.120 52.037 0.288 0.000 0.622 966 A CB -0.393 18.875 19.000 0.446 0.000 0.824 966 A HN 0.489 nan 8.150 nan 0.000 0.444 967 E N 0.068 120.351 120.200 0.139 0.000 2.150 967 E HA -0.111 4.239 4.350 0.000 0.000 0.193 967 E C 2.134 178.778 176.600 0.074 0.000 0.985 967 E CA 1.355 57.812 56.400 0.096 0.000 0.814 967 E CB -0.327 29.414 29.700 0.069 0.000 0.752 967 E HN 0.458 nan 8.360 nan 0.000 0.466 968 S N -1.303 114.438 115.700 0.068 0.000 2.368 968 S HA -0.131 4.339 4.470 0.000 0.000 0.224 968 S C 1.898 176.522 174.600 0.041 0.000 1.029 968 S CA 1.760 59.988 58.200 0.047 0.000 0.988 968 S CB -0.539 62.684 63.200 0.039 0.000 0.838 968 S HN 0.421 nan 8.310 nan 0.000 0.462 969 T N 1.831 116.423 114.554 0.063 0.000 2.674 969 T HA -0.082 4.268 4.350 0.000 0.000 0.265 969 T C 1.841 176.542 174.700 0.003 0.000 1.039 969 T CA 1.399 63.522 62.100 0.039 0.000 1.150 969 T CB -0.490 68.447 68.868 0.115 0.000 0.864 969 T HN 0.426 nan 8.240 nan 0.000 0.427 970 E N 0.798 121.039 120.200 0.068 0.000 2.204 970 E HA -0.122 4.228 4.350 0.000 0.000 0.195 970 E C 2.116 178.726 176.600 0.017 0.000 0.990 970 E CA 0.826 57.254 56.400 0.047 0.000 0.821 970 E CB -0.236 29.529 29.700 0.108 0.000 0.750 970 E HN 0.502 nan 8.360 nan 0.000 0.477 971 M N -0.175 119.440 119.600 0.024 0.000 2.099 971 M HA -0.176 4.304 4.480 0.000 0.000 0.262 971 M C 1.878 178.179 176.300 0.001 0.000 1.067 971 M CA 1.055 56.365 55.300 0.016 0.000 1.124 971 M CB 0.009 32.623 32.600 0.022 0.000 1.353 971 M HN 0.097 nan 8.290 nan 0.000 0.410 972 L N 0.759 121.979 121.223 -0.005 0.000 2.201 972 L HA -0.103 4.237 4.340 0.000 0.000 0.212 972 L C 2.149 178.998 176.870 -0.035 0.000 1.105 972 L CA 1.497 56.329 54.840 -0.013 0.000 0.775 972 L CB -1.067 40.984 42.059 -0.014 0.000 0.913 972 L HN 0.388 nan 8.230 nan 0.000 0.440 973 L N -1.269 119.917 121.223 -0.063 0.000 2.265 973 L HA -0.190 4.150 4.340 0.000 0.000 0.215 973 L C 2.501 179.340 176.870 -0.052 0.000 1.117 973 L CA 0.847 55.632 54.840 -0.091 0.000 0.782 973 L CB -0.360 41.606 42.059 -0.155 0.000 0.914 973 L HN 0.233 nan 8.230 nan 0.000 0.441 974 R N -0.369 120.116 120.500 -0.026 0.000 2.153 974 R HA 0.013 4.353 4.340 0.000 0.000 0.218 974 R C 0.183 176.480 176.300 -0.005 0.000 1.072 974 R CA 0.371 56.466 56.100 -0.007 0.000 0.990 974 R CB -0.051 30.252 30.300 0.004 0.000 0.889 974 R HN 0.123 nan 8.270 nan 0.000 0.452 975 I N 1.424 121.990 120.570 -0.006 0.000 2.396 975 I HA -0.036 4.134 4.170 0.000 0.000 0.289 975 I C 0.470 176.587 176.117 -0.001 0.000 1.056 975 I CA 0.511 61.812 61.300 0.002 0.000 1.365 975 I CB 1.156 39.161 38.000 0.009 0.000 1.407 975 I HN -0.102 nan 8.210 nan 0.000 0.509 976 D N 3.540 123.942 120.400 0.003 0.000 2.535 976 D HA 0.138 4.778 4.640 0.000 0.000 0.229 976 D C -0.910 175.400 176.300 0.015 0.000 1.238 976 D CA 0.144 54.145 54.000 0.003 0.000 0.824 976 D CB 0.244 41.040 40.800 -0.006 0.000 1.045 976 D HN 0.446 nan 8.370 nan 0.000 0.500 977 D N -0.257 120.154 120.400 0.019 0.000 2.931 977 D HA 0.208 4.848 4.640 0.000 0.000 0.215 977 D C -1.480 174.831 176.300 0.017 0.000 1.297 977 D CA -0.438 53.575 54.000 0.021 0.000 0.892 977 D CB 1.884 42.692 40.800 0.014 0.000 1.642 977 D HN -0.256 nan 8.370 nan 0.000 0.560 978 V N 4.982 124.908 119.914 0.019 0.000 2.378 978 V HA 0.527 4.647 4.120 0.000 0.000 0.288 978 V C 0.138 176.226 176.094 -0.011 0.000 1.016 978 V CA -0.547 61.752 62.300 -0.002 0.000 0.840 978 V CB 1.371 33.186 31.823 -0.013 0.000 0.994 978 V HN 0.489 nan 8.190 nan 0.000 0.431 979 I N 4.519 125.078 120.570 -0.018 0.000 2.411 979 I HA 0.687 4.857 4.170 0.000 0.000 0.284 979 I C 0.238 176.339 176.117 -0.027 0.000 1.012 979 I CA -0.462 60.827 61.300 -0.018 0.000 1.119 979 I CB 1.744 39.737 38.000 -0.011 0.000 1.261 979 I HN 0.647 nan 8.210 nan 0.000 0.448 980 A N 5.119 127.919 122.820 -0.032 0.000 2.304 980 A HA 0.861 5.181 4.320 0.000 0.000 0.323 980 A C 0.162 177.731 177.584 -0.024 0.000 1.195 980 A CA -0.484 51.532 52.037 -0.035 0.000 0.826 980 A CB 1.066 20.037 19.000 -0.049 0.000 1.184 980 A HN 0.775 nan 8.150 nan 0.000 0.496 981 A N 2.396 125.204 122.820 -0.020 0.000 2.386 981 A HA 0.476 4.796 4.320 0.000 0.000 0.248 981 A C 0.454 178.030 177.584 -0.015 0.000 1.082 981 A CA -0.196 51.832 52.037 -0.015 0.000 0.789 981 A CB 0.010 19.003 19.000 -0.012 0.000 1.025 981 A HN 0.875 nan 8.150 nan 0.000 0.490 982 E N 0.000 120.193 120.200 -0.012 0.000 2.725 982 E HA 0.000 4.350 4.350 0.000 0.000 0.291 982 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 982 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 982 E HN 0.000 nan 8.360 nan 0.000 0.440