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 3izk_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 KATGANVIAA DATA SEQUENCE IAALSAQDLG 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 0.000 176.088 176.094 -0.010 0.000 1.182 492 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 492 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 493 L N 1.835 123.051 121.223 -0.012 0.000 2.352 493 L HA 0.607 4.947 4.340 -0.001 0.000 0.269 493 L C -2.290 174.575 176.870 -0.009 0.000 1.034 493 L CA -1.673 53.161 54.840 -0.010 0.000 0.806 493 L CB 0.684 42.735 42.059 -0.012 0.000 1.244 493 L HN 0.139 nan 8.230 nan 0.000 0.447 494 P HA 0.011 nan 4.420 nan 0.000 0.265 494 P C -0.656 176.641 177.300 -0.004 0.000 1.193 494 P CA -0.258 62.840 63.100 -0.003 0.000 0.765 494 P CB 0.394 32.093 31.700 -0.001 0.000 0.823 495 E N 2.898 123.096 120.200 -0.004 0.000 2.480 495 E HA -0.052 4.298 4.350 -0.001 0.000 0.258 495 E C 0.690 177.289 176.600 -0.001 0.000 0.984 495 E CA 0.954 57.351 56.400 -0.005 0.000 0.930 495 E CB -0.320 29.377 29.700 -0.005 0.000 0.936 495 E HN 0.533 nan 8.360 nan 0.000 0.466 496 N N 2.101 120.801 118.700 -0.000 0.000 2.879 496 N HA -0.188 4.551 4.740 -0.001 0.000 0.156 496 N C -0.657 174.861 175.510 0.014 0.000 1.554 496 N CA 0.890 53.944 53.050 0.007 0.000 2.252 496 N CB -1.205 37.288 38.487 0.010 0.000 1.232 496 N HN 0.542 nan 8.380 nan 0.000 0.861 497 M N 1.662 121.267 119.600 0.009 0.000 2.249 497 M HA 0.319 4.798 4.480 -0.001 0.000 0.351 497 M C -0.763 175.539 176.300 0.004 0.000 1.180 497 M CA -0.096 55.214 55.300 0.017 0.000 1.127 497 M CB 0.597 33.202 32.600 0.010 0.000 1.546 497 M HN -0.046 nan 8.290 nan 0.000 0.461 498 K N 4.161 124.575 120.400 0.024 0.000 2.267 498 K HA 0.614 4.933 4.320 -0.001 0.000 0.246 498 K C -1.004 175.572 176.600 -0.040 0.000 0.954 498 K CA -0.758 55.505 56.287 -0.039 0.000 0.824 498 K CB 1.849 34.339 32.500 -0.017 0.000 1.167 498 K HN 0.674 nan 8.250 nan 0.000 0.431 499 R N 1.573 121.949 120.500 -0.206 0.000 2.686 499 R HA 0.446 4.786 4.340 -0.001 0.000 0.286 499 R C -0.906 175.166 176.300 -0.379 0.000 0.969 499 R CA -0.753 55.266 56.100 -0.135 0.000 0.898 499 R CB 1.274 31.534 30.300 -0.067 0.000 1.183 499 R HN 0.558 nan 8.270 nan 0.000 0.456 500 Y N 2.425 122.740 120.300 0.026 0.000 2.536 500 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 500 Y C 0.583 176.496 175.900 0.022 0.000 1.000 500 Y CA -0.982 57.134 58.100 0.026 0.000 1.051 500 Y CB 1.974 40.457 38.460 0.040 0.000 1.259 500 Y HN 0.361 nan 8.280 nan 0.000 0.468 501 M N 0.817 120.512 119.600 0.159 0.000 2.520 501 M HA 0.784 5.263 4.480 -0.001 0.000 0.280 501 M C 0.025 176.369 176.300 0.073 0.000 1.232 501 M CA -0.240 55.113 55.300 0.089 0.000 0.892 501 M CB 1.276 33.903 32.600 0.044 0.000 1.728 501 M HN 0.892 nan 8.290 nan 0.000 0.475 502 G N 2.729 111.559 108.800 0.050 0.000 2.561 502 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.289 502 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.289 502 G C 0.672 175.590 174.900 0.031 0.000 1.169 502 G CA 0.528 45.647 45.100 0.032 0.000 0.980 502 G HN 0.841 nan 8.290 nan 0.000 0.550 503 R N 1.082 121.596 120.500 0.023 0.000 2.152 503 R HA -0.022 4.318 4.340 -0.001 0.000 0.232 503 R C 2.101 178.420 176.300 0.032 0.000 1.117 503 R CA 1.783 57.892 56.100 0.015 0.000 0.981 503 R CB -0.793 29.511 30.300 0.007 0.000 0.870 503 R HN 0.610 nan 8.270 nan 0.000 0.451 504 D N 0.493 120.936 120.400 0.071 0.000 2.224 504 D HA -0.031 4.608 4.640 -0.001 0.000 0.205 504 D C 1.691 178.057 176.300 0.109 0.000 0.965 504 D CA 1.154 55.229 54.000 0.125 0.000 0.852 504 D CB -0.034 40.910 40.800 0.240 0.000 0.947 504 D HN 0.168 nan 8.370 nan 0.000 0.494 505 A N 0.656 123.540 122.820 0.108 0.000 1.929 505 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 505 A C 2.092 179.694 177.584 0.030 0.000 1.176 505 A CA 0.991 53.085 52.037 0.094 0.000 0.628 505 A CB -0.205 18.850 19.000 0.092 0.000 0.816 505 A HN 0.036 nan 8.150 nan 0.000 0.444 506 Q N -0.445 119.362 119.800 0.012 0.000 2.016 506 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 506 Q C 2.252 178.227 176.000 -0.041 0.000 0.978 506 Q CA 1.893 57.689 55.803 -0.012 0.000 0.833 506 Q CB -0.469 28.260 28.738 -0.015 0.000 0.895 506 Q HN 0.630 nan 8.270 nan 0.000 0.427 507 R N 0.915 121.384 120.500 -0.051 0.000 2.075 507 R HA -0.031 4.308 4.340 -0.001 0.000 0.232 507 R C 2.183 178.387 176.300 -0.161 0.000 1.126 507 R CA 1.522 57.571 56.100 -0.085 0.000 0.963 507 R CB -0.617 29.644 30.300 -0.065 0.000 0.858 507 R HN 0.306 nan 8.270 nan 0.000 0.435 508 M N 0.296 119.760 119.600 -0.227 0.000 2.082 508 M HA -0.231 4.248 4.480 -0.001 0.000 0.258 508 M C 1.019 177.151 176.300 -0.281 0.000 1.069 508 M CA 2.104 57.189 55.300 -0.359 0.000 1.102 508 M CB -0.264 32.098 32.600 -0.396 0.000 1.336 508 M HN 0.178 nan 8.290 nan 0.000 0.404 509 N N 0.754 119.355 118.700 -0.165 0.000 2.188 509 N HA -0.101 4.638 4.740 -0.001 0.000 0.184 509 N C 1.655 177.072 175.510 -0.155 0.000 1.018 509 N CA 1.364 54.319 53.050 -0.159 0.000 0.858 509 N CB -0.428 38.039 38.487 -0.032 0.000 0.989 509 N HN 0.395 nan 8.380 nan 0.000 0.426 510 I N 0.546 121.047 120.570 -0.115 0.000 2.315 510 I HA -0.141 4.028 4.170 -0.001 0.000 0.248 510 I C 1.849 177.898 176.117 -0.114 0.000 1.117 510 I CA 0.683 61.930 61.300 -0.089 0.000 1.404 510 I CB -0.829 37.134 38.000 -0.061 0.000 1.071 510 I HN 0.053 nan 8.210 nan 0.000 0.419 511 L N 0.997 122.129 121.223 -0.151 0.000 2.093 511 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 511 L C 2.722 179.488 176.870 -0.173 0.000 1.085 511 L CA 1.809 56.557 54.840 -0.153 0.000 0.755 511 L CB -1.337 40.616 42.059 -0.178 0.000 0.904 511 L HN 0.167 nan 8.230 nan 0.000 0.435 512 A N -0.549 122.115 122.820 -0.261 0.000 1.902 512 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 512 A C 2.405 179.887 177.584 -0.170 0.000 1.181 512 A CA 1.700 53.561 52.037 -0.294 0.000 0.623 512 A CB -1.280 17.354 19.000 -0.610 0.000 0.818 512 A HN 0.432 nan 8.150 nan 0.000 0.443 513 G N -0.719 107.997 108.800 -0.141 0.000 2.422 513 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.218 513 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.218 513 G C 1.672 176.530 174.900 -0.069 0.000 1.140 513 G CA 1.139 46.190 45.100 -0.083 0.000 0.775 513 G HN 0.520 nan 8.290 nan 0.000 0.545 514 R N 0.635 121.089 120.500 -0.078 0.000 2.092 514 R HA 0.110 4.449 4.340 -0.001 0.000 0.231 514 R C 2.400 178.665 176.300 -0.058 0.000 1.119 514 R CA 0.983 57.045 56.100 -0.064 0.000 0.970 514 R CB -0.648 29.613 30.300 -0.065 0.000 0.864 514 R HN 0.427 nan 8.270 nan 0.000 0.440 515 I N 0.101 120.631 120.570 -0.066 0.000 2.127 515 I HA -0.293 3.877 4.170 -0.001 0.000 0.241 515 I C 1.774 177.867 176.117 -0.041 0.000 1.075 515 I CA 1.063 62.332 61.300 -0.052 0.000 1.334 515 I CB -0.282 37.684 38.000 -0.056 0.000 1.040 515 I HN 0.140 nan 8.210 nan 0.000 0.405 516 I N 0.898 121.443 120.570 -0.042 0.000 2.233 516 I HA -0.202 3.968 4.170 -0.001 0.000 0.243 516 I C 2.873 178.971 176.117 -0.032 0.000 1.093 516 I CA 1.596 62.878 61.300 -0.031 0.000 1.380 516 I CB -1.613 36.371 38.000 -0.027 0.000 1.067 516 I HN 0.167 nan 8.210 nan 0.000 0.413 517 A N 0.442 123.239 122.820 -0.037 0.000 1.940 517 A HA -0.257 4.063 4.320 -0.001 0.000 0.219 517 A C 2.281 179.843 177.584 -0.038 0.000 1.176 517 A CA 2.095 54.109 52.037 -0.038 0.000 0.631 517 A CB -0.573 18.402 19.000 -0.043 0.000 0.814 517 A HN 0.406 nan 8.150 nan 0.000 0.446 518 E N -0.493 119.684 120.200 -0.038 0.000 2.107 518 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 518 E C 2.013 178.595 176.600 -0.031 0.000 0.982 518 E CA 1.777 58.156 56.400 -0.035 0.000 0.809 518 E CB -0.513 29.166 29.700 -0.035 0.000 0.756 518 E HN 0.505 nan 8.360 nan 0.000 0.459 519 T N 0.112 114.648 114.554 -0.029 0.000 2.746 519 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 519 T C 1.880 176.565 174.700 -0.025 0.000 1.039 519 T CA 1.790 63.875 62.100 -0.025 0.000 1.142 519 T CB -0.321 68.534 68.868 -0.022 0.000 0.866 519 T HN 0.267 nan 8.240 nan 0.000 0.444 520 V N 1.865 121.764 119.914 -0.026 0.000 2.649 520 V HA 0.014 4.134 4.120 -0.001 0.000 0.248 520 V C 2.347 178.423 176.094 -0.030 0.000 1.054 520 V CA 1.309 63.593 62.300 -0.026 0.000 1.073 520 V CB -0.890 30.918 31.823 -0.025 0.000 0.699 520 V HN 0.480 nan 8.190 nan 0.000 0.463 521 R N 2.695 123.174 120.500 -0.033 0.000 2.241 521 R HA -0.062 4.278 4.340 -0.001 0.000 0.224 521 R C 2.015 178.292 176.300 -0.037 0.000 1.101 521 R CA 1.592 57.669 56.100 -0.038 0.000 0.995 521 R CB -0.984 29.291 30.300 -0.041 0.000 0.870 521 R HN 0.690 nan 8.270 nan 0.000 0.463 522 S N 0.031 115.711 115.700 -0.033 0.000 2.522 522 S HA -0.074 4.396 4.470 -0.001 0.000 0.227 522 S C 1.692 176.272 174.600 -0.033 0.000 0.986 522 S CA 0.684 58.864 58.200 -0.033 0.000 0.929 522 S CB 0.078 63.261 63.200 -0.029 0.000 0.769 522 S HN 0.551 nan 8.310 nan 0.000 0.529 523 T N -0.942 113.593 114.554 -0.031 0.000 3.069 523 T HA 0.353 4.702 4.350 -0.001 0.000 0.252 523 T C 0.324 175.004 174.700 -0.033 0.000 1.053 523 T CA -0.522 61.561 62.100 -0.029 0.000 0.964 523 T CB -0.436 68.418 68.868 -0.023 0.000 1.005 523 T HN 0.258 nan 8.240 nan 0.000 0.532 524 L N 2.927 124.128 121.223 -0.038 0.000 2.462 524 L HA 0.518 4.858 4.340 -0.001 0.000 0.272 524 L C 0.703 177.542 176.870 -0.052 0.000 1.166 524 L CA 1.608 56.424 54.840 -0.041 0.000 0.880 524 L CB -0.751 41.282 42.059 -0.044 0.000 1.142 524 L HN 0.697 nan 8.230 nan 0.000 0.473 525 G N 4.398 113.169 108.800 -0.048 0.000 2.663 525 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.686 525 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.686 525 G C -2.065 172.790 174.900 -0.075 0.000 1.288 525 G CA -0.340 44.719 45.100 -0.068 0.000 0.836 525 G HN 0.553 nan 8.290 nan 0.000 0.584 526 P HA 0.004 nan 4.420 nan 0.000 0.222 526 P C 1.121 178.328 177.300 -0.155 0.000 1.147 526 P CA 1.230 64.268 63.100 -0.103 0.000 0.790 526 P CB 0.112 31.725 31.700 -0.145 0.000 0.780 527 K N -0.209 120.063 120.400 -0.214 0.000 2.372 527 K HA 0.272 4.592 4.320 -0.001 0.000 0.200 527 K C 1.171 177.711 176.600 -0.100 0.000 1.022 527 K CA -0.141 56.047 56.287 -0.167 0.000 1.125 527 K CB -0.110 32.263 32.500 -0.212 0.000 0.855 527 K HN 0.067 nan 8.250 nan 0.000 0.524 528 G N 0.227 108.978 108.800 -0.082 0.000 2.616 528 G HA2 0.246 4.205 3.960 -0.001 0.000 0.268 528 G HA3 0.246 4.205 3.960 -0.001 0.000 0.268 528 G C 0.017 174.893 174.900 -0.041 0.000 1.213 528 G CA -0.513 44.552 45.100 -0.057 0.000 0.926 528 G HN -0.069 nan 8.290 nan 0.000 0.523 529 M N -0.043 119.536 119.600 -0.034 0.000 2.531 529 M HA 0.401 4.880 4.480 -0.001 0.000 0.262 529 M C -0.231 176.056 176.300 -0.021 0.000 1.168 529 M CA -0.677 54.607 55.300 -0.026 0.000 0.926 529 M CB 1.117 33.702 32.600 -0.025 0.000 1.445 529 M HN 0.726 nan 8.290 nan 0.000 0.531 530 D N -0.590 119.800 120.400 -0.018 0.000 2.493 530 D HA 0.562 5.202 4.640 -0.001 0.000 0.239 530 D C -1.301 174.989 176.300 -0.017 0.000 1.049 530 D CA -0.763 53.228 54.000 -0.016 0.000 1.008 530 D CB 1.270 42.063 40.800 -0.013 0.000 1.398 530 D HN 0.116 nan 8.370 nan 0.000 0.513 531 K N 0.345 120.736 120.400 -0.016 0.000 2.259 531 K HA 0.396 4.716 4.320 -0.001 0.000 0.252 531 K C -0.949 175.641 176.600 -0.017 0.000 0.936 531 K CA -0.719 55.559 56.287 -0.016 0.000 0.810 531 K CB 1.969 34.460 32.500 -0.014 0.000 1.143 531 K HN 0.677 nan 8.250 nan 0.000 0.427 532 M N 4.060 123.649 119.600 -0.019 0.000 2.047 532 M HA 0.253 4.732 4.480 -0.001 0.000 0.342 532 M C -1.493 174.796 176.300 -0.017 0.000 1.058 532 M CA -0.972 54.315 55.300 -0.022 0.000 0.991 532 M CB 0.367 32.951 32.600 -0.026 0.000 1.474 532 M HN 0.347 nan 8.290 nan 0.000 0.419 533 L N 6.057 127.271 121.223 -0.015 0.000 2.272 533 L HA 0.522 4.861 4.340 -0.001 0.000 0.289 533 L C -0.797 176.066 176.870 -0.011 0.000 1.032 533 L CA -0.253 54.580 54.840 -0.011 0.000 0.810 533 L CB 1.669 43.723 42.059 -0.008 0.000 1.205 533 L HN 0.414 nan 8.230 nan 0.000 0.422 534 V N 2.817 122.725 119.914 -0.009 0.000 2.407 534 V HA 0.370 4.490 4.120 -0.001 0.000 0.291 534 V C -0.351 175.740 176.094 -0.004 0.000 1.018 534 V CA -0.940 61.355 62.300 -0.009 0.000 0.842 534 V CB 1.529 33.346 31.823 -0.010 0.000 0.996 534 V HN 0.806 nan 8.190 nan 0.000 0.426 535 D N 2.247 122.646 120.400 -0.002 0.000 2.478 535 D HA 0.094 4.733 4.640 -0.001 0.000 0.269 535 D C 0.887 177.187 176.300 0.000 0.000 1.232 535 D CA -0.494 53.506 54.000 -0.000 0.000 1.059 535 D CB 0.704 41.505 40.800 0.001 0.000 1.104 535 D HN 0.400 nan 8.370 nan 0.000 0.566 536 D N -1.741 118.659 120.400 0.001 0.000 2.264 536 D HA -0.088 4.552 4.640 -0.001 0.000 0.208 536 D C 1.451 177.752 176.300 0.002 0.000 0.966 536 D CA 0.621 54.622 54.000 0.002 0.000 0.864 536 D CB 0.002 40.803 40.800 0.002 0.000 0.933 536 D HN 0.185 nan 8.370 nan 0.000 0.499 537 L N -1.004 120.221 121.223 0.003 0.000 2.558 537 L HA 0.351 4.690 4.340 -0.001 0.000 0.225 537 L C 1.953 178.825 176.870 0.004 0.000 1.128 537 L CA 0.910 55.753 54.840 0.004 0.000 0.868 537 L CB 0.143 42.205 42.059 0.004 0.000 1.006 537 L HN 0.255 nan 8.230 nan 0.000 0.454 538 G N -1.322 107.480 108.800 0.003 0.000 2.179 538 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.220 538 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.220 538 G C 0.244 175.145 174.900 0.002 0.000 0.990 538 G CA 0.101 45.202 45.100 0.002 0.000 0.646 538 G HN 0.322 nan 8.290 nan 0.000 0.517 539 D N 1.165 121.567 120.400 0.003 0.000 2.382 539 D HA 0.394 5.033 4.640 -0.001 0.000 0.259 539 D C 0.414 176.712 176.300 -0.003 0.000 1.224 539 D CA 0.163 54.166 54.000 0.005 0.000 0.894 539 D CB 1.099 41.903 40.800 0.008 0.000 1.127 539 D HN 0.194 nan 8.370 nan 0.000 0.487 540 V N 4.991 124.899 119.914 -0.009 0.000 2.347 540 V HA 0.281 4.400 4.120 -0.001 0.000 0.280 540 V C 0.128 176.204 176.094 -0.029 0.000 1.021 540 V CA -0.795 61.490 62.300 -0.025 0.000 0.847 540 V CB 1.583 33.380 31.823 -0.043 0.000 0.990 540 V HN 0.334 nan 8.190 nan 0.000 0.444 541 V N 6.044 125.944 119.914 -0.022 0.000 2.378 541 V HA 0.449 4.569 4.120 -0.001 0.000 0.288 541 V C -0.222 175.858 176.094 -0.022 0.000 1.016 541 V CA -0.561 61.730 62.300 -0.017 0.000 0.840 541 V CB 1.942 33.763 31.823 -0.004 0.000 0.994 541 V HN 0.589 nan 8.190 nan 0.000 0.431 542 V N 4.447 124.344 119.914 -0.029 0.000 2.357 542 V HA 0.769 4.888 4.120 -0.001 0.000 0.284 542 V C 0.104 176.189 176.094 -0.014 0.000 1.018 542 V CA 0.019 62.303 62.300 -0.028 0.000 0.841 542 V CB 1.588 33.384 31.823 -0.044 0.000 0.991 542 V HN 0.976 nan 8.190 nan 0.000 0.437 543 T N 2.641 117.189 114.554 -0.011 0.000 2.739 543 T HA 0.305 4.655 4.350 -0.001 0.000 0.303 543 T C 0.128 174.824 174.700 -0.007 0.000 1.389 543 T CA -0.361 61.737 62.100 -0.005 0.000 1.001 543 T CB 2.058 70.925 68.868 -0.001 0.000 1.436 543 T HN 0.602 nan 8.240 nan 0.000 0.500 544 N N 0.327 119.024 118.700 -0.004 0.000 2.210 544 N HA 0.085 4.825 4.740 -0.001 0.000 0.203 544 N C -0.780 174.727 175.510 -0.006 0.000 1.175 544 N CA -0.020 53.027 53.050 -0.006 0.000 0.894 544 N CB 0.445 38.929 38.487 -0.004 0.000 1.041 544 N HN 0.552 nan 8.380 nan 0.000 0.506 545 D N 0.356 120.755 120.400 -0.003 0.000 2.450 545 D HA 0.094 4.733 4.640 -0.001 0.000 0.247 545 D C 1.282 177.579 176.300 -0.004 0.000 1.162 545 D CA 0.174 54.173 54.000 -0.002 0.000 0.879 545 D CB 1.277 42.077 40.800 0.001 0.000 1.163 545 D HN 0.290 nan 8.370 nan 0.000 0.472 546 G N 1.657 110.454 108.800 -0.006 0.000 2.414 546 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 546 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 546 G C 1.496 176.393 174.900 -0.005 0.000 1.188 546 G CA 0.303 45.398 45.100 -0.008 0.000 0.783 546 G HN 0.452 nan 8.290 nan 0.000 0.537 547 V N 0.826 120.739 119.914 -0.003 0.000 2.515 547 V HA -0.102 4.018 4.120 -0.001 0.000 0.250 547 V C 2.969 179.063 176.094 0.000 0.000 1.058 547 V CA 2.739 65.039 62.300 -0.001 0.000 1.064 547 V CB -0.562 31.261 31.823 0.001 0.000 0.675 547 V HN 0.401 nan 8.190 nan 0.000 0.461 548 T N 0.565 115.119 114.554 0.000 0.000 2.777 548 T HA -0.076 4.274 4.350 -0.001 0.000 0.266 548 T C 1.752 176.452 174.700 -0.000 0.000 1.040 548 T CA 1.968 64.069 62.100 0.001 0.000 1.141 548 T CB -0.257 68.612 68.868 0.001 0.000 0.868 548 T HN 0.461 nan 8.240 nan 0.000 0.444 549 I N 0.627 121.196 120.570 -0.002 0.000 2.208 549 I HA -0.145 4.024 4.170 -0.001 0.000 0.245 549 I C 1.982 178.098 176.117 -0.002 0.000 1.097 549 I CA 0.943 62.241 61.300 -0.003 0.000 1.363 549 I CB -0.265 37.731 38.000 -0.006 0.000 1.051 549 I HN 0.162 nan 8.210 nan 0.000 0.413 550 L N 0.173 121.395 121.223 -0.001 0.000 2.217 550 L HA -0.079 4.260 4.340 -0.001 0.000 0.211 550 L C 2.459 179.331 176.870 0.004 0.000 1.107 550 L CA 1.561 56.401 54.840 0.001 0.000 0.783 550 L CB -0.752 41.307 42.059 0.001 0.000 0.919 550 L HN 0.104 nan 8.230 nan 0.000 0.442 551 R N -1.068 119.433 120.500 0.003 0.000 2.093 551 R HA -0.035 4.304 4.340 -0.001 0.000 0.224 551 R C 1.964 178.266 176.300 0.004 0.000 1.101 551 R CA 0.664 56.766 56.100 0.004 0.000 0.979 551 R CB 0.001 30.303 30.300 0.004 0.000 0.877 551 R HN 0.273 nan 8.270 nan 0.000 0.441 552 E N 0.986 121.188 120.200 0.003 0.000 2.086 552 E HA -0.059 4.291 4.350 -0.001 0.000 0.190 552 E C 1.284 177.886 176.600 0.002 0.000 0.975 552 E CA 0.561 56.963 56.400 0.002 0.000 0.813 552 E CB -0.106 29.595 29.700 0.001 0.000 0.768 552 E HN 0.333 nan 8.360 nan 0.000 0.457 553 M N -0.208 119.393 119.600 0.002 0.000 2.184 553 M HA 0.098 4.578 4.480 -0.001 0.000 0.296 553 M C 0.518 176.821 176.300 0.005 0.000 1.165 553 M CA 0.361 55.662 55.300 0.002 0.000 1.175 553 M CB 0.478 33.079 32.600 0.001 0.000 1.392 553 M HN -0.239 nan 8.290 nan 0.000 0.457 554 S N 1.535 117.239 115.700 0.007 0.000 2.466 554 S HA 0.491 4.960 4.470 -0.001 0.000 0.313 554 S C -0.894 173.715 174.600 0.015 0.000 1.078 554 S CA -0.805 57.401 58.200 0.010 0.000 1.115 554 S CB -0.015 63.191 63.200 0.010 0.000 1.006 554 S HN 0.508 nan 8.310 nan 0.000 0.487 555 V N 5.734 125.659 119.914 0.018 0.000 2.439 555 V HA 0.425 4.545 4.120 -0.001 0.000 0.282 555 V C 0.611 176.726 176.094 0.035 0.000 1.039 555 V CA -0.406 61.911 62.300 0.028 0.000 0.913 555 V CB 1.623 33.462 31.823 0.027 0.000 0.983 555 V HN 0.793 nan 8.190 nan 0.000 0.460 556 E N 1.148 121.379 120.200 0.052 0.000 2.228 556 E HA 0.091 4.441 4.350 -0.001 0.000 0.197 556 E C 0.723 177.358 176.600 0.058 0.000 0.909 556 E CA 0.113 56.540 56.400 0.046 0.000 0.911 556 E CB -0.006 29.720 29.700 0.044 0.000 0.887 556 E HN 0.693 nan 8.360 nan 0.000 0.481 557 H N 2.737 121.810 119.070 0.006 0.000 2.886 557 H HA 0.043 4.598 4.556 -0.001 0.000 0.329 557 H C -1.713 173.618 175.328 0.005 0.000 1.044 557 H CA -1.409 54.643 56.048 0.007 0.000 1.456 557 H CB 1.527 31.289 29.762 -0.001 0.000 1.464 557 H HN -0.206 nan 8.280 nan 0.000 0.573 558 P HA -0.147 nan 4.420 nan 0.000 0.216 558 P C 1.075 178.485 177.300 0.183 0.000 1.150 558 P CA 2.024 65.158 63.100 0.057 0.000 0.843 558 P CB 0.118 31.792 31.700 -0.043 0.000 0.787 559 A N 0.012 123.096 122.820 0.439 0.000 1.877 559 A HA -0.091 4.229 4.320 -0.001 0.000 0.216 559 A C 2.329 179.962 177.584 0.083 0.000 1.186 559 A CA 2.077 54.233 52.037 0.199 0.000 0.620 559 A CB -1.565 17.460 19.000 0.043 0.000 0.822 559 A HN 0.201 nan 8.150 nan 0.000 0.443 560 A N -0.364 122.506 122.820 0.084 0.000 1.969 560 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 560 A C 2.078 179.688 177.584 0.043 0.000 1.169 560 A CA 1.657 53.714 52.037 0.034 0.000 0.635 560 A CB -0.359 18.657 19.000 0.027 0.000 0.810 560 A HN 0.542 nan 8.150 nan 0.000 0.445 561 K N -0.956 119.483 120.400 0.065 0.000 2.097 561 K HA -0.035 4.285 4.320 -0.001 0.000 0.205 561 K C 1.856 178.477 176.600 0.035 0.000 1.050 561 K CA 1.294 57.607 56.287 0.043 0.000 0.938 561 K CB -0.191 32.334 32.500 0.041 0.000 0.718 561 K HN 0.347 nan 8.250 nan 0.000 0.442 562 M N 0.624 120.249 119.600 0.041 0.000 2.254 562 M HA -0.052 4.428 4.480 -0.001 0.000 0.265 562 M C 2.169 178.483 176.300 0.024 0.000 1.066 562 M CA 1.036 56.355 55.300 0.032 0.000 1.123 562 M CB -0.670 31.952 32.600 0.037 0.000 1.388 562 M HN 0.200 nan 8.290 nan 0.000 0.425 563 L N 0.369 121.604 121.223 0.021 0.000 2.046 563 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 563 L C 2.224 179.100 176.870 0.009 0.000 1.077 563 L CA 1.224 56.070 54.840 0.010 0.000 0.747 563 L CB -0.174 41.885 42.059 0.001 0.000 0.896 563 L HN 0.156 nan 8.230 nan 0.000 0.432 564 I N -0.332 120.245 120.570 0.012 0.000 2.208 564 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 564 I C 2.468 178.591 176.117 0.010 0.000 1.097 564 I CA 1.053 62.359 61.300 0.010 0.000 1.363 564 I CB -0.404 37.604 38.000 0.012 0.000 1.051 564 I HN 0.310 nan 8.210 nan 0.000 0.413 565 E N 0.468 120.675 120.200 0.013 0.000 2.118 565 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 565 E C 2.419 179.025 176.600 0.011 0.000 0.992 565 E CA 1.161 57.569 56.400 0.012 0.000 0.804 565 E CB -0.260 29.449 29.700 0.015 0.000 0.741 565 E HN 0.367 nan 8.360 nan 0.000 0.458 566 V N 1.468 121.389 119.914 0.011 0.000 2.358 566 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 566 V C 2.461 178.559 176.094 0.006 0.000 1.047 566 V CA 1.714 64.020 62.300 0.010 0.000 1.035 566 V CB -0.807 31.021 31.823 0.009 0.000 0.658 566 V HN 0.239 nan 8.190 nan 0.000 0.452 567 A N -0.317 122.505 122.820 0.004 0.000 1.933 567 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 567 A C 2.284 179.869 177.584 0.003 0.000 1.175 567 A CA 1.823 53.861 52.037 0.001 0.000 0.628 567 A CB -0.400 18.600 19.000 -0.000 0.000 0.814 567 A HN 0.543 nan 8.150 nan 0.000 0.444 568 K N -0.930 119.473 120.400 0.005 0.000 2.155 568 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 568 K C 1.970 178.574 176.600 0.006 0.000 1.052 568 K CA 1.513 57.803 56.287 0.005 0.000 0.948 568 K CB -0.279 32.225 32.500 0.006 0.000 0.728 568 K HN 0.460 nan 8.250 nan 0.000 0.448 569 T N 1.191 115.749 114.554 0.007 0.000 2.777 569 T HA -0.182 4.168 4.350 -0.001 0.000 0.266 569 T C 1.831 176.535 174.700 0.007 0.000 1.040 569 T CA 1.361 63.465 62.100 0.008 0.000 1.141 569 T CB -0.128 68.746 68.868 0.010 0.000 0.868 569 T HN 0.179 nan 8.240 nan 0.000 0.444 570 Q N 1.394 121.197 119.800 0.005 0.000 2.096 570 Q HA -0.127 4.213 4.340 -0.001 0.000 0.204 570 Q C 2.099 178.101 176.000 0.004 0.000 0.982 570 Q CA 1.920 57.725 55.803 0.004 0.000 0.850 570 Q CB -0.264 28.474 28.738 0.001 0.000 0.901 570 Q HN 0.679 nan 8.270 nan 0.000 0.422 571 E N -0.740 119.462 120.200 0.003 0.000 2.072 571 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 571 E C 1.590 178.193 176.600 0.004 0.000 0.985 571 E CA 0.973 57.375 56.400 0.003 0.000 0.801 571 E CB 0.063 29.765 29.700 0.003 0.000 0.750 571 E HN 0.139 nan 8.360 nan 0.000 0.452 572 K N 0.373 120.775 120.400 0.004 0.000 2.147 572 K HA -0.116 4.204 4.320 -0.001 0.000 0.205 572 K C 1.940 178.543 176.600 0.005 0.000 1.049 572 K CA 1.000 57.289 56.287 0.005 0.000 0.936 572 K CB 0.026 32.529 32.500 0.005 0.000 0.722 572 K HN 0.239 nan 8.250 nan 0.000 0.446 573 E N -0.011 120.192 120.200 0.006 0.000 2.045 573 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 573 E C 2.228 178.831 176.600 0.006 0.000 0.968 573 E CA 0.758 57.162 56.400 0.006 0.000 0.813 573 E CB -0.047 29.657 29.700 0.008 0.000 0.780 573 E HN -0.025 nan 8.360 nan 0.000 0.455 574 V N -0.789 119.128 119.914 0.006 0.000 2.788 574 V HA 0.207 4.327 4.120 -0.001 0.000 0.241 574 V C 1.678 177.775 176.094 0.005 0.000 1.083 574 V CA 1.159 63.462 62.300 0.006 0.000 1.103 574 V CB 0.279 32.106 31.823 0.005 0.000 0.800 574 V HN 0.508 nan 8.190 nan 0.000 0.476 575 G N 0.298 109.100 108.800 0.004 0.000 4.677 575 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.215 575 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.215 575 G C 0.169 175.071 174.900 0.004 0.000 1.506 575 G CA 0.327 45.430 45.100 0.004 0.000 1.016 575 G HN 0.482 nan 8.290 nan 0.000 0.653 576 D N 1.668 122.071 120.400 0.005 0.000 2.377 576 D HA 0.486 5.125 4.640 -0.001 0.000 0.245 576 D C 1.482 177.784 176.300 0.003 0.000 1.196 576 D CA 1.589 55.592 54.000 0.005 0.000 0.962 576 D CB 0.390 41.195 40.800 0.008 0.000 1.127 576 D HN 1.800 nan 8.370 nan 0.000 0.471 577 G N 0.233 109.034 108.800 0.001 0.000 2.147 577 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.244 577 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.244 577 G C 1.019 175.915 174.900 -0.007 0.000 1.005 577 G CA 1.326 46.423 45.100 -0.004 0.000 0.713 577 G HN 0.658 nan 8.290 nan 0.000 0.515 578 T N -3.391 111.160 114.554 -0.006 0.000 2.833 578 T HA -0.083 4.267 4.350 -0.001 0.000 0.269 578 T C 2.202 176.895 174.700 -0.012 0.000 1.054 578 T CA 2.461 64.556 62.100 -0.007 0.000 1.135 578 T CB -0.366 68.499 68.868 -0.005 0.000 0.869 578 T HN 0.308 nan 8.240 nan 0.000 0.466 579 T N 1.885 116.431 114.554 -0.015 0.000 2.732 579 T HA -0.044 4.305 4.350 -0.001 0.000 0.261 579 T C 2.293 176.977 174.700 -0.027 0.000 1.040 579 T CA 1.696 63.783 62.100 -0.021 0.000 1.145 579 T CB -0.924 67.931 68.868 -0.022 0.000 0.866 579 T HN 0.472 nan 8.240 nan 0.000 0.427 580 T N 2.331 116.869 114.554 -0.026 0.000 2.665 580 T HA -0.129 4.221 4.350 -0.001 0.000 0.268 580 T C 2.364 177.041 174.700 -0.038 0.000 1.035 580 T CA 1.358 63.438 62.100 -0.034 0.000 1.151 580 T CB -0.646 68.205 68.868 -0.029 0.000 0.862 580 T HN 0.424 nan 8.240 nan 0.000 0.438 581 A N 0.787 123.589 122.820 -0.030 0.000 1.908 581 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 581 A C 2.596 180.160 177.584 -0.034 0.000 1.181 581 A CA 1.622 53.642 52.037 -0.029 0.000 0.627 581 A CB -0.975 18.015 19.000 -0.017 0.000 0.818 581 A HN 0.384 nan 8.150 nan 0.000 0.445 582 V N -0.605 119.291 119.914 -0.030 0.000 2.453 582 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 582 V C 2.545 178.613 176.094 -0.043 0.000 1.048 582 V CA 1.709 63.990 62.300 -0.031 0.000 1.049 582 V CB -0.589 31.219 31.823 -0.026 0.000 0.672 582 V HN 0.365 nan 8.190 nan 0.000 0.457 583 V N -0.196 119.690 119.914 -0.047 0.000 2.343 583 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 583 V C 2.438 178.488 176.094 -0.074 0.000 1.051 583 V CA 1.877 64.143 62.300 -0.056 0.000 1.036 583 V CB -0.414 31.377 31.823 -0.055 0.000 0.654 583 V HN 0.400 nan 8.190 nan 0.000 0.451 584 V N 0.359 120.224 119.914 -0.083 0.000 2.295 584 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 584 V C 2.704 178.721 176.094 -0.128 0.000 1.049 584 V CA 2.104 64.333 62.300 -0.119 0.000 1.024 584 V CB -1.123 30.627 31.823 -0.121 0.000 0.648 584 V HN 0.562 nan 8.190 nan 0.000 0.447 585 A N 0.327 123.093 122.820 -0.089 0.000 1.972 585 A HA -0.049 4.271 4.320 -0.001 0.000 0.219 585 A C 2.375 179.924 177.584 -0.058 0.000 1.169 585 A CA 1.795 53.791 52.037 -0.068 0.000 0.635 585 A CB -1.066 17.913 19.000 -0.035 0.000 0.810 585 A HN 0.534 nan 8.150 nan 0.000 0.446 586 G N -0.373 108.392 108.800 -0.059 0.000 2.404 586 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.215 586 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.215 586 G C 1.483 176.350 174.900 -0.054 0.000 1.174 586 G CA 1.275 46.345 45.100 -0.051 0.000 0.780 586 G HN 0.545 nan 8.290 nan 0.000 0.537 587 E N -0.002 120.153 120.200 -0.074 0.000 2.152 587 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 587 E C 2.284 178.832 176.600 -0.086 0.000 0.983 587 E CA 0.370 56.722 56.400 -0.078 0.000 0.818 587 E CB -0.406 29.235 29.700 -0.098 0.000 0.758 587 E HN 0.258 nan 8.360 nan 0.000 0.467 588 L N 0.111 121.258 121.223 -0.127 0.000 2.083 588 L HA -0.068 4.271 4.340 -0.001 0.000 0.209 588 L C 2.024 178.891 176.870 -0.004 0.000 1.083 588 L CA 1.586 56.327 54.840 -0.165 0.000 0.752 588 L CB -0.410 41.501 42.059 -0.246 0.000 0.899 588 L HN 0.256 nan 8.230 nan 0.000 0.433 589 L N -1.167 120.064 121.223 0.013 0.000 2.093 589 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 589 L C 2.731 179.627 176.870 0.042 0.000 1.085 589 L CA 0.975 55.847 54.840 0.054 0.000 0.755 589 L CB -0.445 41.624 42.059 0.017 0.000 0.904 589 L HN 0.215 nan 8.230 nan 0.000 0.435 590 R N -0.121 120.385 120.500 0.009 0.000 2.081 590 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 590 R C 2.285 178.602 176.300 0.028 0.000 1.131 590 R CA 0.924 57.026 56.100 0.004 0.000 0.960 590 R CB -0.142 30.147 30.300 -0.017 0.000 0.856 590 R HN 0.217 nan 8.270 nan 0.000 0.436 591 K N 0.376 120.803 120.400 0.046 0.000 2.148 591 K HA -0.028 4.292 4.320 -0.001 0.000 0.204 591 K C 2.024 178.722 176.600 0.163 0.000 1.050 591 K CA 1.197 57.538 56.287 0.090 0.000 0.942 591 K CB -0.160 32.388 32.500 0.080 0.000 0.724 591 K HN 0.142 nan 8.250 nan 0.000 0.446 592 A N 1.604 124.555 122.820 0.219 0.000 1.898 592 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 592 A C 2.137 179.756 177.584 0.059 0.000 1.181 592 A CA 1.368 53.512 52.037 0.178 0.000 0.620 592 A CB -0.287 18.851 19.000 0.231 0.000 0.819 592 A HN 0.247 nan 8.150 nan 0.000 0.442 593 E N 0.267 120.495 120.200 0.046 0.000 2.150 593 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 593 E C 1.775 178.381 176.600 0.010 0.000 0.985 593 E CA 1.279 57.686 56.400 0.012 0.000 0.814 593 E CB -0.150 29.551 29.700 0.001 0.000 0.752 593 E HN 0.762 nan 8.360 nan 0.000 0.466 594 E N 0.209 120.423 120.200 0.023 0.000 2.106 594 E HA -0.118 4.232 4.350 -0.001 0.000 0.192 594 E C 2.345 178.957 176.600 0.019 0.000 0.984 594 E CA 0.685 57.097 56.400 0.019 0.000 0.806 594 E CB -0.007 29.708 29.700 0.026 0.000 0.750 594 E HN 0.251 nan 8.360 nan 0.000 0.458 595 L N 0.309 121.548 121.223 0.027 0.000 2.046 595 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 595 L C 2.226 179.090 176.870 -0.009 0.000 1.077 595 L CA 0.508 55.355 54.840 0.013 0.000 0.747 595 L CB -0.239 41.824 42.059 0.006 0.000 0.896 595 L HN 0.168 nan 8.230 nan 0.000 0.432 596 L N -0.180 121.032 121.223 -0.019 0.000 2.093 596 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 596 L C 2.105 178.962 176.870 -0.023 0.000 1.085 596 L CA 1.720 56.539 54.840 -0.035 0.000 0.755 596 L CB -0.788 41.246 42.059 -0.041 0.000 0.904 596 L HN 0.247 nan 8.230 nan 0.000 0.435 597 D N -1.281 119.113 120.400 -0.011 0.000 2.144 597 D HA -0.171 4.469 4.640 -0.001 0.000 0.200 597 D C 1.791 178.090 176.300 -0.002 0.000 0.978 597 D CA 0.774 54.770 54.000 -0.006 0.000 0.833 597 D CB 0.162 40.961 40.800 -0.002 0.000 0.961 597 D HN 0.224 nan 8.370 nan 0.000 0.470 598 Q N 0.082 119.882 119.800 0.001 0.000 2.466 598 Q HA 0.010 4.350 4.340 -0.001 0.000 0.210 598 Q C 0.208 176.211 176.000 0.004 0.000 0.961 598 Q CA 0.192 55.998 55.803 0.005 0.000 0.953 598 Q CB -0.077 28.668 28.738 0.011 0.000 1.011 598 Q HN 0.319 nan 8.270 nan 0.000 0.516 599 N N -0.621 118.078 118.700 -0.002 0.000 2.776 599 N HA -0.154 4.586 4.740 -0.001 0.000 0.249 599 N C -1.323 174.192 175.510 0.008 0.000 1.111 599 N CA 0.300 53.350 53.050 0.000 0.000 0.711 599 N CB -1.150 37.341 38.487 0.008 0.000 1.065 599 N HN -0.025 nan 8.380 nan 0.000 0.556 600 V N 1.928 121.842 119.914 -0.001 0.000 2.385 600 V HA 0.126 4.246 4.120 -0.001 0.000 0.269 600 V C 0.934 177.028 176.094 0.000 0.000 1.043 600 V CA -0.729 61.577 62.300 0.009 0.000 0.906 600 V CB 1.016 32.835 31.823 -0.005 0.000 0.995 600 V HN 0.327 nan 8.190 nan 0.000 0.467 601 H N 8.340 127.391 119.070 -0.032 0.000 3.034 601 H HA 0.040 4.596 4.556 -0.001 0.000 0.324 601 H C -1.684 173.612 175.328 -0.052 0.000 1.015 601 H CA -1.220 54.807 56.048 -0.034 0.000 1.429 601 H CB 1.643 31.389 29.762 -0.028 0.000 1.429 601 H HN 0.380 nan 8.280 nan 0.000 0.585 602 P HA -0.178 nan 4.420 nan 0.000 0.217 602 P C 1.522 178.852 177.300 0.050 0.000 1.148 602 P CA 1.799 64.835 63.100 -0.106 0.000 0.834 602 P CB 0.069 31.665 31.700 -0.174 0.000 0.783 603 T N -1.746 113.001 114.554 0.321 0.000 2.915 603 T HA -0.078 4.272 4.350 -0.001 0.000 0.269 603 T C 1.571 176.295 174.700 0.040 0.000 1.071 603 T CA 0.755 62.946 62.100 0.152 0.000 1.132 603 T CB -0.515 68.403 68.868 0.084 0.000 0.878 603 T HN -0.149 nan 8.240 nan 0.000 0.479 604 I N 0.721 121.320 120.570 0.049 0.000 2.333 604 I HA -0.014 4.155 4.170 -0.001 0.000 0.246 604 I C 2.539 178.593 176.117 -0.105 0.000 1.106 604 I CA 0.814 62.103 61.300 -0.019 0.000 1.411 604 I CB -1.315 36.687 38.000 0.004 0.000 1.082 604 I HN 0.151 nan 8.210 nan 0.000 0.420 605 V N 0.737 120.551 119.914 -0.168 0.000 2.343 605 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 605 V C 2.700 178.468 176.094 -0.543 0.000 1.051 605 V CA 1.308 63.351 62.300 -0.427 0.000 1.036 605 V CB -0.560 31.026 31.823 -0.395 0.000 0.654 605 V HN 0.167 nan 8.190 nan 0.000 0.451 606 V N 0.059 119.823 119.914 -0.249 0.000 2.261 606 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 606 V C 2.485 178.540 176.094 -0.066 0.000 1.047 606 V CA 2.382 64.612 62.300 -0.116 0.000 1.015 606 V CB -0.674 31.127 31.823 -0.037 0.000 0.642 606 V HN 0.531 nan 8.190 nan 0.000 0.446 607 K N 1.114 121.475 120.400 -0.065 0.000 2.026 607 K HA -0.105 4.214 4.320 -0.001 0.000 0.208 607 K C 2.051 178.628 176.600 -0.039 0.000 1.048 607 K CA 1.947 58.209 56.287 -0.040 0.000 0.929 607 K CB -1.167 31.311 32.500 -0.035 0.000 0.713 607 K HN 0.387 nan 8.250 nan 0.000 0.439 608 G N -0.809 107.960 108.800 -0.051 0.000 2.418 608 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 608 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 608 G C 1.210 176.145 174.900 0.058 0.000 1.158 608 G CA 0.836 45.939 45.100 0.005 0.000 0.771 608 G HN 0.268 nan 8.290 nan 0.000 0.545 609 Y N 0.404 120.627 120.300 -0.128 0.000 2.200 609 Y HA -0.044 4.506 4.550 -0.001 0.000 0.290 609 Y C 2.891 178.545 175.900 -0.409 0.000 1.137 609 Y CA 1.076 59.016 58.100 -0.267 0.000 1.163 609 Y CB -0.945 37.546 38.460 0.052 0.000 0.988 609 Y HN 0.270 nan 8.280 nan 0.000 0.518 610 Q N 0.319 120.108 119.800 -0.019 0.000 2.123 610 Q HA -0.031 4.309 4.340 -0.001 0.000 0.199 610 Q C 2.290 178.219 176.000 -0.118 0.000 0.966 610 Q CA 1.528 57.299 55.803 -0.052 0.000 0.845 610 Q CB -0.403 28.330 28.738 -0.008 0.000 0.907 610 Q HN 0.328 nan 8.270 nan 0.000 0.439 611 A N 0.269 123.017 122.820 -0.120 0.000 1.855 611 A HA -0.005 4.315 4.320 -0.001 0.000 0.215 611 A C 2.278 179.768 177.584 -0.156 0.000 1.191 611 A CA 1.859 53.833 52.037 -0.106 0.000 0.613 611 A CB -1.194 17.766 19.000 -0.066 0.000 0.829 611 A HN 0.493 nan 8.150 nan 0.000 0.442 612 A N -0.319 122.317 122.820 -0.306 0.000 1.930 612 A HA 0.233 4.552 4.320 -0.001 0.000 0.217 612 A C 2.458 179.792 177.584 -0.416 0.000 1.175 612 A CA 1.873 53.682 52.037 -0.380 0.000 0.627 612 A CB -0.904 17.731 19.000 -0.608 0.000 0.815 612 A HN 1.027 nan 8.150 nan 0.000 0.443 613 A N -1.077 121.364 122.820 -0.632 0.000 1.930 613 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 613 A C 2.098 179.662 177.584 -0.033 0.000 1.175 613 A CA 1.544 53.473 52.037 -0.180 0.000 0.627 613 A CB -0.399 18.545 19.000 -0.093 0.000 0.815 613 A HN 0.481 nan 8.150 nan 0.000 0.443 614 Q N -0.071 119.691 119.800 -0.063 0.000 2.119 614 Q HA -0.111 4.229 4.340 -0.001 0.000 0.201 614 Q C 1.752 177.760 176.000 0.013 0.000 0.972 614 Q CA 1.210 57.003 55.803 -0.017 0.000 0.847 614 Q CB -0.268 28.452 28.738 -0.031 0.000 0.903 614 Q HN 0.516 nan 8.270 nan 0.000 0.433 615 K N 0.229 120.646 120.400 0.027 0.000 2.167 615 K HA 0.099 4.419 4.320 -0.001 0.000 0.203 615 K C 1.946 178.634 176.600 0.148 0.000 1.052 615 K CA 0.802 57.149 56.287 0.100 0.000 0.956 615 K CB -0.104 32.504 32.500 0.179 0.000 0.735 615 K HN 0.113 nan 8.250 nan 0.000 0.451 616 A N 1.575 124.474 122.820 0.132 0.000 1.902 616 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 616 A C 2.131 179.779 177.584 0.107 0.000 1.181 616 A CA 1.375 53.501 52.037 0.148 0.000 0.623 616 A CB -0.381 18.756 19.000 0.229 0.000 0.818 616 A HN 0.350 nan 8.150 nan 0.000 0.443 617 Q N -0.881 118.971 119.800 0.087 0.000 2.172 617 Q HA -0.123 4.216 4.340 -0.001 0.000 0.200 617 Q C 1.881 177.915 176.000 0.057 0.000 0.964 617 Q CA 1.098 56.940 55.803 0.064 0.000 0.855 617 Q CB -0.089 28.679 28.738 0.050 0.000 0.918 617 Q HN 0.581 nan 8.270 nan 0.000 0.444 618 E N 0.529 120.766 120.200 0.062 0.000 2.110 618 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 618 E C 1.947 178.592 176.600 0.075 0.000 0.988 618 E CA 0.799 57.233 56.400 0.058 0.000 0.804 618 E CB 0.006 29.737 29.700 0.052 0.000 0.745 618 E HN 0.218 nan 8.360 nan 0.000 0.458 619 L N 0.453 121.737 121.223 0.100 0.000 2.093 619 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 619 L C 2.422 179.334 176.870 0.069 0.000 1.085 619 L CA 1.120 56.020 54.840 0.100 0.000 0.755 619 L CB -0.818 41.307 42.059 0.111 0.000 0.904 619 L HN 0.095 nan 8.230 nan 0.000 0.435 620 L N -1.031 120.229 121.223 0.062 0.000 2.093 620 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 620 L C 2.431 179.325 176.870 0.041 0.000 1.085 620 L CA 1.194 56.062 54.840 0.047 0.000 0.755 620 L CB -0.450 41.635 42.059 0.043 0.000 0.904 620 L HN 0.231 nan 8.230 nan 0.000 0.435 621 K N -0.771 119.653 120.400 0.041 0.000 2.155 621 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 621 K C 2.045 178.665 176.600 0.034 0.000 1.052 621 K CA 1.444 57.751 56.287 0.033 0.000 0.948 621 K CB -0.135 32.383 32.500 0.030 0.000 0.728 621 K HN 0.263 nan 8.250 nan 0.000 0.448 622 T N 1.951 116.530 114.554 0.042 0.000 2.777 622 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 622 T C 1.852 176.575 174.700 0.037 0.000 1.040 622 T CA 1.264 63.389 62.100 0.042 0.000 1.141 622 T CB -0.120 68.781 68.868 0.057 0.000 0.868 622 T HN 0.384 nan 8.240 nan 0.000 0.444 623 I N -0.453 120.141 120.570 0.040 0.000 3.728 623 I HA 0.473 4.643 4.170 -0.001 0.000 0.307 623 I C 1.019 177.154 176.117 0.030 0.000 1.276 623 I CA -0.596 60.725 61.300 0.037 0.000 1.285 623 I CB -0.427 37.602 38.000 0.048 0.000 1.038 623 I HN -0.056 nan 8.210 nan 0.000 0.445 624 A N 1.501 124.338 122.820 0.028 0.000 2.567 624 A HA 0.122 4.441 4.320 -0.001 0.000 0.240 624 A C 0.098 177.693 177.584 0.019 0.000 1.053 624 A CA 0.000 52.051 52.037 0.023 0.000 0.755 624 A CB -0.183 18.830 19.000 0.022 0.000 0.978 624 A HN 0.639 nan 8.150 nan 0.000 0.507 625 C N 3.757 123.067 119.300 0.016 0.000 2.273 625 C HA 0.448 4.907 4.460 -0.001 0.000 0.328 625 C C 0.317 175.313 174.990 0.011 0.000 1.275 625 C CA -0.682 58.344 59.018 0.013 0.000 1.704 625 C CB -0.793 26.954 27.740 0.012 0.000 2.326 625 C HN 0.881 nan 8.230 nan 0.000 0.517 626 E N 3.687 123.893 120.200 0.010 0.000 2.316 626 E HA 0.423 4.773 4.350 -0.001 0.000 0.275 626 E C -0.113 176.491 176.600 0.007 0.000 1.029 626 E CA -0.062 56.343 56.400 0.008 0.000 0.871 626 E CB 1.166 30.871 29.700 0.008 0.000 1.022 626 E HN 0.700 nan 8.360 nan 0.000 0.418 627 V N -0.511 119.407 119.914 0.006 0.000 3.040 627 V HA 0.729 4.849 4.120 -0.001 0.000 0.312 627 V C 0.321 176.417 176.094 0.005 0.000 1.115 627 V CA -1.135 61.169 62.300 0.005 0.000 0.998 627 V CB 1.673 33.499 31.823 0.005 0.000 1.042 627 V HN 0.660 nan 8.190 nan 0.000 0.433 628 G N 0.614 109.416 108.800 0.004 0.000 2.365 628 G HA2 0.481 4.441 3.960 -0.001 0.000 0.249 628 G HA3 0.481 4.441 3.960 -0.001 0.000 0.249 628 G C 0.966 175.868 174.900 0.004 0.000 1.288 628 G CA 0.127 45.230 45.100 0.003 0.000 0.887 628 G HN 1.657 nan 8.290 nan 0.000 0.524 629 A N 2.346 125.169 122.820 0.004 0.000 1.940 629 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 629 A C 1.943 179.529 177.584 0.004 0.000 1.176 629 A CA 1.198 53.238 52.037 0.004 0.000 0.631 629 A CB -0.003 19.000 19.000 0.004 0.000 0.814 629 A HN 0.516 nan 8.150 nan 0.000 0.446 630 Q N 0.005 119.807 119.800 0.003 0.000 2.201 630 Q HA 0.107 4.447 4.340 -0.001 0.000 0.236 630 Q C -0.944 175.057 176.000 0.002 0.000 0.857 630 Q CA -0.131 55.673 55.803 0.003 0.000 1.025 630 Q CB 0.025 28.765 28.738 0.003 0.000 1.124 630 Q HN 0.720 nan 8.270 nan 0.000 0.473 631 D N 0.727 121.128 120.400 0.002 0.000 2.344 631 D HA 0.005 4.644 4.640 -0.001 0.000 0.253 631 D C 1.250 177.550 176.300 0.001 0.000 1.255 631 D CA 0.064 54.064 54.000 0.001 0.000 0.894 631 D CB 0.884 41.685 40.800 0.001 0.000 1.067 631 D HN -0.218 nan 8.370 nan 0.000 0.492 632 K N 3.408 123.808 120.400 0.000 0.000 2.077 632 K HA -0.293 4.027 4.320 -0.001 0.000 0.213 632 K C 1.553 178.152 176.600 -0.002 0.000 1.051 632 K CA 2.069 58.356 56.287 -0.001 0.000 0.929 632 K CB -0.106 32.394 32.500 -0.001 0.000 0.715 632 K HN 0.660 nan 8.250 nan 0.000 0.451 633 E N -0.451 119.747 120.200 -0.003 0.000 2.023 633 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 633 E C 1.993 178.590 176.600 -0.004 0.000 1.003 633 E CA 1.659 58.057 56.400 -0.004 0.000 0.809 633 E CB -0.274 29.423 29.700 -0.004 0.000 0.755 633 E HN 0.340 nan 8.360 nan 0.000 0.449 634 I N 0.582 121.151 120.570 -0.002 0.000 2.454 634 I HA -0.203 3.967 4.170 -0.001 0.000 0.254 634 I C 1.877 177.994 176.117 0.000 0.000 1.156 634 I CA 0.728 62.027 61.300 -0.000 0.000 1.433 634 I CB -0.059 37.942 38.000 0.002 0.000 1.082 634 I HN 0.212 nan 8.210 nan 0.000 0.432 635 L N 0.064 121.287 121.223 -0.000 0.000 2.141 635 L HA -0.141 4.199 4.340 -0.001 0.000 0.209 635 L C 2.644 179.513 176.870 -0.001 0.000 1.094 635 L CA 2.296 57.136 54.840 0.001 0.000 0.763 635 L CB -1.566 40.494 42.059 0.001 0.000 0.908 635 L HN 0.493 nan 8.230 nan 0.000 0.437 636 T N -4.949 109.603 114.554 -0.003 0.000 3.035 636 T HA -0.068 4.281 4.350 -0.001 0.000 0.259 636 T C 1.898 176.593 174.700 -0.009 0.000 1.078 636 T CA 0.435 62.531 62.100 -0.006 0.000 1.132 636 T CB -0.064 68.799 68.868 -0.008 0.000 0.900 636 T HN 0.178 nan 8.240 nan 0.000 0.480 637 K N 0.616 121.012 120.400 -0.007 0.000 2.057 637 K HA 0.097 4.417 4.320 -0.001 0.000 0.206 637 K C 2.145 178.743 176.600 -0.003 0.000 1.050 637 K CA 0.965 57.247 56.287 -0.008 0.000 0.935 637 K CB -0.183 32.313 32.500 -0.006 0.000 0.715 637 K HN 0.252 nan 8.250 nan 0.000 0.439 638 I N 1.304 121.875 120.570 0.001 0.000 2.179 638 I HA -0.219 3.950 4.170 -0.001 0.000 0.242 638 I C 2.518 178.639 176.117 0.006 0.000 1.088 638 I CA 1.267 62.571 61.300 0.005 0.000 1.357 638 I CB -1.345 36.659 38.000 0.006 0.000 1.051 638 I HN 0.104 nan 8.210 nan 0.000 0.409 639 A N 0.773 123.594 122.820 0.003 0.000 1.865 639 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 639 A C 2.397 179.982 177.584 0.002 0.000 1.191 639 A CA 1.902 53.940 52.037 0.003 0.000 0.623 639 A CB -0.660 18.340 19.000 0.000 0.000 0.826 639 A HN 0.356 nan 8.150 nan 0.000 0.444 640 M N -0.839 118.757 119.600 -0.005 0.000 2.159 640 M HA -0.123 4.357 4.480 -0.001 0.000 0.263 640 M C 2.209 178.505 176.300 -0.006 0.000 1.063 640 M CA 1.793 57.084 55.300 -0.014 0.000 1.110 640 M CB -0.643 31.939 32.600 -0.031 0.000 1.374 640 M HN 0.472 nan 8.290 nan 0.000 0.411 641 T N -0.243 114.314 114.554 0.004 0.000 2.665 641 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 641 T C 1.954 176.679 174.700 0.043 0.000 1.035 641 T CA 2.021 64.136 62.100 0.026 0.000 1.151 641 T CB -0.320 68.563 68.868 0.026 0.000 0.862 641 T HN 0.399 nan 8.240 nan 0.000 0.438 642 S N 0.205 115.923 115.700 0.029 0.000 2.371 642 S HA 0.034 4.503 4.470 -0.001 0.000 0.224 642 S C 2.057 176.679 174.600 0.037 0.000 1.029 642 S CA 0.570 58.789 58.200 0.031 0.000 0.978 642 S CB -0.429 62.783 63.200 0.021 0.000 0.833 642 S HN 0.451 nan 8.310 nan 0.000 0.466 643 I N 1.681 122.267 120.570 0.028 0.000 2.226 643 I HA -0.105 4.065 4.170 -0.001 0.000 0.245 643 I C 1.322 177.465 176.117 0.045 0.000 1.100 643 I CA 0.967 62.283 61.300 0.026 0.000 1.374 643 I CB -0.936 37.071 38.000 0.010 0.000 1.057 643 I HN 0.415 nan 8.210 nan 0.000 0.413 644 T N -0.407 114.180 114.554 0.054 0.000 2.903 644 T HA 0.325 4.675 4.350 -0.001 0.000 0.314 644 T C 1.083 175.912 174.700 0.215 0.000 1.078 644 T CA 0.090 62.250 62.100 0.101 0.000 1.114 644 T CB 1.224 70.117 68.868 0.042 0.000 0.987 644 T HN 0.637 nan 8.240 nan 0.000 0.548 645 G N 0.494 109.471 108.800 0.294 0.000 2.141 645 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.242 645 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.242 645 G C -0.134 174.831 174.900 0.109 0.000 0.982 645 G CA 0.317 45.548 45.100 0.220 0.000 0.662 645 G HN 0.947 nan 8.290 nan 0.000 0.527 646 K N -0.201 120.256 120.400 0.095 0.000 2.328 646 K HA 0.707 5.027 4.320 -0.001 0.000 0.246 646 K C 1.565 178.196 176.600 0.052 0.000 0.955 646 K CA 0.179 56.500 56.287 0.058 0.000 0.817 646 K CB 0.971 33.498 32.500 0.045 0.000 1.208 646 K HN 0.282 nan 8.250 nan 0.000 0.432 647 G N 1.154 109.977 108.800 0.039 0.000 2.450 647 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.220 647 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.220 647 G C 1.049 175.966 174.900 0.028 0.000 1.130 647 G CA 1.036 46.156 45.100 0.033 0.000 0.760 647 G HN 0.638 nan 8.290 nan 0.000 0.557 648 A N 1.346 124.182 122.820 0.027 0.000 2.209 648 A HA 0.092 4.411 4.320 -0.001 0.000 0.212 648 A C 2.090 179.683 177.584 0.015 0.000 1.158 648 A CA 1.497 53.546 52.037 0.020 0.000 0.742 648 A CB -0.381 18.631 19.000 0.020 0.000 0.790 648 A HN 0.661 nan 8.150 nan 0.000 0.472 649 E N 1.379 121.591 120.200 0.019 0.000 2.333 649 E HA -0.283 4.067 4.350 -0.001 0.000 0.198 649 E C 1.558 178.154 176.600 -0.006 0.000 1.007 649 E CA 1.303 57.706 56.400 0.005 0.000 0.845 649 E CB -0.542 29.164 29.700 0.009 0.000 0.766 649 E HN 0.792 nan 8.360 nan 0.000 0.507 650 K N 0.800 121.201 120.400 0.002 0.000 2.281 650 K HA -0.080 4.239 4.320 -0.001 0.000 0.203 650 K C 1.466 178.063 176.600 -0.005 0.000 1.046 650 K CA 1.466 57.752 56.287 -0.002 0.000 0.938 650 K CB -0.009 32.494 32.500 0.005 0.000 0.737 650 K HN 0.165 nan 8.250 nan 0.000 0.458 651 A N 1.783 124.601 122.820 -0.003 0.000 2.610 651 A HA 0.137 4.457 4.320 -0.001 0.000 0.291 651 A C 1.348 178.928 177.584 -0.006 0.000 1.116 651 A CA -0.561 51.474 52.037 -0.004 0.000 0.963 651 A CB -0.041 18.960 19.000 0.001 0.000 1.220 651 A HN 0.414 nan 8.150 nan 0.000 0.530 652 K N 0.189 120.582 120.400 -0.011 0.000 2.281 652 K HA -0.198 4.122 4.320 -0.001 0.000 0.203 652 K C 0.834 177.425 176.600 -0.015 0.000 1.046 652 K CA 1.908 58.186 56.287 -0.014 0.000 0.938 652 K CB -0.115 32.370 32.500 -0.026 0.000 0.737 652 K HN 0.313 nan 8.250 nan 0.000 0.458 653 E N 1.296 121.486 120.200 -0.016 0.000 2.072 653 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 653 E C 1.754 178.349 176.600 -0.008 0.000 0.982 653 E CA 1.243 57.635 56.400 -0.014 0.000 0.803 653 E CB 0.050 29.741 29.700 -0.015 0.000 0.755 653 E HN 0.258 nan 8.360 nan 0.000 0.453 654 K N 0.331 120.728 120.400 -0.005 0.000 2.057 654 K HA 0.006 4.325 4.320 -0.001 0.000 0.206 654 K C 1.971 178.571 176.600 0.001 0.000 1.050 654 K CA 0.752 57.038 56.287 -0.001 0.000 0.935 654 K CB -0.307 32.194 32.500 0.001 0.000 0.715 654 K HN 0.057 nan 8.250 nan 0.000 0.439 655 L N 0.101 121.325 121.223 0.000 0.000 2.046 655 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 655 L C 2.373 179.244 176.870 0.001 0.000 1.077 655 L CA 1.405 56.246 54.840 0.002 0.000 0.747 655 L CB -0.603 41.458 42.059 0.003 0.000 0.896 655 L HN 0.196 nan 8.230 nan 0.000 0.432 656 A N -0.242 122.577 122.820 -0.002 0.000 1.933 656 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 656 A C 2.176 179.759 177.584 -0.001 0.000 1.175 656 A CA 1.808 53.843 52.037 -0.003 0.000 0.628 656 A CB -0.427 18.569 19.000 -0.007 0.000 0.814 656 A HN 0.387 nan 8.150 nan 0.000 0.444 657 E N 0.200 120.399 120.200 -0.001 0.000 2.051 657 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 657 E C 1.755 178.357 176.600 0.003 0.000 0.991 657 E CA 1.424 57.824 56.400 0.000 0.000 0.799 657 E CB -0.230 29.470 29.700 -0.000 0.000 0.748 657 E HN 0.468 nan 8.360 nan 0.000 0.449 658 I N 0.276 120.848 120.570 0.004 0.000 2.226 658 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 658 I C 2.137 178.257 176.117 0.006 0.000 1.100 658 I CA 0.955 62.259 61.300 0.006 0.000 1.374 658 I CB -0.799 37.205 38.000 0.008 0.000 1.057 658 I HN 0.197 nan 8.210 nan 0.000 0.413 659 I N -0.061 120.511 120.570 0.004 0.000 2.406 659 I HA -0.149 4.020 4.170 -0.001 0.000 0.249 659 I C 2.488 178.607 176.117 0.004 0.000 1.122 659 I CA 0.898 62.201 61.300 0.004 0.000 1.431 659 I CB -0.406 37.596 38.000 0.004 0.000 1.087 659 I HN -0.095 nan 8.210 nan 0.000 0.424 660 V N 0.282 120.198 119.914 0.003 0.000 2.358 660 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 660 V C 2.449 178.545 176.094 0.004 0.000 1.047 660 V CA 1.530 63.831 62.300 0.003 0.000 1.035 660 V CB -0.581 31.243 31.823 0.002 0.000 0.658 660 V HN 0.380 nan 8.190 nan 0.000 0.452 661 E N 0.386 120.589 120.200 0.004 0.000 2.072 661 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 661 E C 2.378 178.982 176.600 0.006 0.000 0.985 661 E CA 1.415 57.818 56.400 0.005 0.000 0.801 661 E CB -0.459 29.244 29.700 0.006 0.000 0.750 661 E HN 0.555 nan 8.360 nan 0.000 0.452 662 A N 1.137 123.961 122.820 0.006 0.000 1.902 662 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 662 A C 2.623 180.210 177.584 0.005 0.000 1.181 662 A CA 1.447 53.487 52.037 0.006 0.000 0.623 662 A CB -0.688 18.315 19.000 0.005 0.000 0.818 662 A HN 0.124 nan 8.150 nan 0.000 0.443 663 V N -0.262 119.655 119.914 0.004 0.000 2.261 663 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 663 V C 2.762 178.859 176.094 0.005 0.000 1.047 663 V CA 2.367 64.669 62.300 0.004 0.000 1.015 663 V CB -0.831 30.995 31.823 0.004 0.000 0.642 663 V HN 0.549 nan 8.190 nan 0.000 0.446 664 S N 0.012 115.715 115.700 0.005 0.000 2.419 664 S HA -0.125 4.345 4.470 -0.001 0.000 0.233 664 S C 2.137 176.742 174.600 0.007 0.000 1.016 664 S CA 1.237 59.440 58.200 0.006 0.000 0.974 664 S CB -0.393 62.810 63.200 0.006 0.000 0.786 664 S HN 0.644 nan 8.310 nan 0.000 0.492 665 A N 1.056 123.881 122.820 0.008 0.000 1.930 665 A HA -0.019 4.300 4.320 -0.001 0.000 0.217 665 A C 2.239 179.829 177.584 0.011 0.000 1.175 665 A CA 1.653 53.696 52.037 0.010 0.000 0.627 665 A CB -0.536 18.469 19.000 0.009 0.000 0.815 665 A HN 0.579 nan 8.150 nan 0.000 0.443 666 V N -3.657 116.262 119.914 0.008 0.000 3.660 666 V HA 0.134 4.254 4.120 -0.001 0.000 0.276 666 V C 1.870 177.968 176.094 0.006 0.000 1.317 666 V CA 0.869 63.173 62.300 0.007 0.000 1.097 666 V CB -0.302 31.523 31.823 0.004 0.000 0.863 666 V HN 0.155 nan 8.190 nan 0.000 0.438 667 V N 1.000 120.917 119.914 0.006 0.000 2.568 667 V HA -0.184 3.935 4.120 -0.001 0.000 0.253 667 V C 1.624 177.721 176.094 0.006 0.000 1.072 667 V CA 2.604 64.907 62.300 0.005 0.000 1.084 667 V CB -0.595 31.231 31.823 0.005 0.000 0.676 667 V HN 0.897 nan 8.190 nan 0.000 0.469 668 D N -1.056 119.348 120.400 0.008 0.000 4.438 668 D HA -0.222 4.417 4.640 -0.001 0.000 0.158 668 D C 0.616 176.920 176.300 0.007 0.000 0.686 668 D CA 1.920 55.925 54.000 0.008 0.000 1.183 668 D CB -1.235 39.568 40.800 0.005 0.000 0.623 668 D HN 0.573 nan 8.370 nan 0.000 0.521 669 D N 1.620 122.022 120.400 0.004 0.000 2.414 669 D HA 0.216 4.855 4.640 -0.001 0.000 0.251 669 D C -0.199 176.103 176.300 0.004 0.000 1.252 669 D CA 0.301 54.303 54.000 0.003 0.000 0.999 669 D CB 0.407 41.208 40.800 0.002 0.000 1.093 669 D HN 0.199 nan 8.370 nan 0.000 0.515 670 E N -0.302 119.900 120.200 0.003 0.000 2.373 670 E HA 0.549 4.898 4.350 -0.001 0.000 0.233 670 E C -0.238 176.364 176.600 0.003 0.000 1.035 670 E CA -0.622 55.780 56.400 0.004 0.000 0.930 670 E CB 0.625 30.327 29.700 0.004 0.000 1.278 670 E HN 0.450 nan 8.360 nan 0.000 0.452 671 G N 1.454 110.256 108.800 0.003 0.000 2.340 671 G HA2 0.258 4.218 3.960 -0.001 0.000 0.298 671 G HA3 0.258 4.218 3.960 -0.001 0.000 0.298 671 G C -1.745 173.157 174.900 0.003 0.000 1.498 671 G CA -0.736 44.366 45.100 0.003 0.000 0.847 671 G HN 0.021 nan 8.290 nan 0.000 0.594 672 K N 0.466 120.868 120.400 0.003 0.000 2.550 672 K HA 0.542 4.861 4.320 -0.001 0.000 0.252 672 K C -1.382 175.219 176.600 0.003 0.000 0.943 672 K CA -0.542 55.747 56.287 0.003 0.000 0.806 672 K CB 2.262 34.763 32.500 0.002 0.000 1.289 672 K HN 0.512 nan 8.250 nan 0.000 0.435 673 V N 3.416 123.332 119.914 0.003 0.000 2.370 673 V HA 0.205 4.325 4.120 -0.001 0.000 0.279 673 V C -0.250 175.845 176.094 0.002 0.000 1.029 673 V CA -0.716 61.585 62.300 0.002 0.000 0.870 673 V CB 1.318 33.143 31.823 0.003 0.000 0.984 673 V HN 0.606 nan 8.190 nan 0.000 0.451 674 D N 4.023 124.423 120.400 0.001 0.000 2.427 674 D HA 0.198 4.837 4.640 -0.001 0.000 0.226 674 D C 0.974 177.273 176.300 -0.002 0.000 1.076 674 D CA -0.387 53.613 54.000 -0.001 0.000 0.849 674 D CB 1.426 42.225 40.800 -0.002 0.000 1.052 674 D HN 0.511 nan 8.370 nan 0.000 0.515 675 K N 2.754 123.153 120.400 -0.002 0.000 2.160 675 K HA -0.231 4.088 4.320 -0.001 0.000 0.206 675 K C 0.964 177.560 176.600 -0.006 0.000 1.047 675 K CA 1.321 57.606 56.287 -0.003 0.000 0.930 675 K CB 0.161 32.660 32.500 -0.002 0.000 0.720 675 K HN 0.331 nan 8.250 nan 0.000 0.450 676 D N 0.192 120.588 120.400 -0.007 0.000 2.309 676 D HA -0.110 4.530 4.640 -0.001 0.000 0.212 676 D C 1.389 177.681 176.300 -0.012 0.000 0.968 676 D CA 0.700 54.694 54.000 -0.010 0.000 0.882 676 D CB 0.129 40.923 40.800 -0.010 0.000 0.918 676 D HN 0.263 nan 8.370 nan 0.000 0.503 677 L N -0.304 120.913 121.223 -0.009 0.000 2.554 677 L HA 0.172 4.512 4.340 -0.001 0.000 0.226 677 L C 0.370 177.234 176.870 -0.010 0.000 1.137 677 L CA 0.179 55.014 54.840 -0.009 0.000 0.863 677 L CB 0.086 42.143 42.059 -0.004 0.000 0.985 677 L HN 0.009 nan 8.230 nan 0.000 0.451 678 I N 0.271 120.835 120.570 -0.010 0.000 2.382 678 I HA 0.235 4.404 4.170 -0.001 0.000 0.286 678 I C 0.075 176.183 176.117 -0.015 0.000 1.002 678 I CA -0.460 60.833 61.300 -0.010 0.000 1.135 678 I CB 1.680 39.677 38.000 -0.005 0.000 1.288 678 I HN -0.113 nan 8.210 nan 0.000 0.448 679 K N 6.626 127.013 120.400 -0.021 0.000 2.172 679 K HA 0.427 4.747 4.320 -0.001 0.000 0.276 679 K C -0.705 175.882 176.600 -0.023 0.000 1.013 679 K CA -0.595 55.676 56.287 -0.028 0.000 0.913 679 K CB 1.266 33.740 32.500 -0.042 0.000 1.055 679 K HN 0.452 nan 8.250 nan 0.000 0.461 680 I N 3.976 124.533 120.570 -0.021 0.000 2.307 680 I HA 0.174 4.344 4.170 -0.001 0.000 0.287 680 I C 0.099 176.203 176.117 -0.022 0.000 1.054 680 I CA -0.583 60.707 61.300 -0.016 0.000 1.218 680 I CB 0.581 38.575 38.000 -0.010 0.000 1.398 680 I HN 0.517 nan 8.210 nan 0.000 0.475 681 E N 7.313 127.498 120.200 -0.025 0.000 2.199 681 E HA 0.548 4.898 4.350 -0.001 0.000 0.269 681 E C -0.947 175.641 176.600 -0.019 0.000 0.899 681 E CA -0.745 55.636 56.400 -0.032 0.000 0.772 681 E CB 1.405 31.072 29.700 -0.054 0.000 1.155 681 E HN 0.541 nan 8.360 nan 0.000 0.408 682 K N 2.909 123.298 120.400 -0.019 0.000 2.471 682 K HA 0.613 4.933 4.320 -0.001 0.000 0.252 682 K C -0.929 175.663 176.600 -0.014 0.000 0.938 682 K CA -1.105 55.176 56.287 -0.011 0.000 0.796 682 K CB 1.592 34.087 32.500 -0.009 0.000 1.161 682 K HN 0.097 nan 8.250 nan 0.000 0.425 683 K N 2.026 122.423 120.400 -0.006 0.000 2.507 683 K HA 0.218 4.537 4.320 -0.001 0.000 0.251 683 K C -0.646 175.953 176.600 -0.002 0.000 0.943 683 K CA -0.583 55.702 56.287 -0.005 0.000 0.794 683 K CB 2.139 34.644 32.500 0.009 0.000 1.188 683 K HN 0.992 nan 8.250 nan 0.000 0.428 684 S N 0.429 116.120 115.700 -0.014 0.000 2.584 684 S HA 0.675 5.144 4.470 -0.001 0.000 0.270 684 S C 0.564 175.164 174.600 -0.001 0.000 1.346 684 S CA 0.326 58.518 58.200 -0.013 0.000 1.018 684 S CB 0.824 64.007 63.200 -0.029 0.000 0.899 684 S HN 0.931 nan 8.310 nan 0.000 0.542 685 G N -0.193 108.608 108.800 0.002 0.000 2.640 685 G HA2 0.475 4.435 3.960 -0.001 0.000 0.686 685 G HA3 0.475 4.435 3.960 -0.001 0.000 0.686 685 G C -0.042 174.864 174.900 0.010 0.000 1.229 685 G CA -0.125 44.979 45.100 0.007 0.000 0.796 685 G HN 2.405 nan 8.290 nan 0.000 0.654 686 A N -0.332 122.493 122.820 0.009 0.000 5.953 686 A HA 0.387 4.707 4.320 -0.001 0.000 0.267 686 A C 1.187 178.776 177.584 0.009 0.000 2.116 686 A CA 1.971 54.014 52.037 0.010 0.000 0.711 686 A CB -1.624 17.383 19.000 0.012 0.000 1.100 686 A HN 2.749 nan 8.150 nan 0.000 0.364 687 S N -2.833 112.873 115.700 0.009 0.000 2.851 687 S HA 0.691 5.161 4.470 -0.001 0.000 0.317 687 S C 1.196 175.803 174.600 0.010 0.000 1.144 687 S CA -0.109 58.097 58.200 0.010 0.000 0.862 687 S CB 0.629 63.834 63.200 0.008 0.000 1.259 687 S HN 1.019 nan 8.310 nan 0.000 0.564 688 I N 2.009 122.585 120.570 0.010 0.000 2.546 688 I HA -0.033 4.137 4.170 -0.001 0.000 0.255 688 I C 1.514 177.636 176.117 0.009 0.000 1.163 688 I CA 1.181 62.487 61.300 0.010 0.000 1.457 688 I CB -1.346 36.660 38.000 0.011 0.000 1.092 688 I HN 0.586 nan 8.210 nan 0.000 0.434 689 D N 1.249 121.653 120.400 0.007 0.000 2.218 689 D HA -0.172 4.467 4.640 -0.001 0.000 0.204 689 D C 1.341 177.646 176.300 0.007 0.000 0.976 689 D CA 1.194 55.197 54.000 0.005 0.000 0.853 689 D CB -0.116 40.687 40.800 0.004 0.000 0.939 689 D HN 0.432 nan 8.370 nan 0.000 0.481 690 D N -0.173 120.232 120.400 0.009 0.000 2.347 690 D HA -0.034 4.605 4.640 -0.001 0.000 0.215 690 D C 0.330 176.639 176.300 0.016 0.000 0.976 690 D CA 0.425 54.432 54.000 0.012 0.000 0.884 690 D CB -0.015 40.792 40.800 0.012 0.000 0.915 690 D HN -0.045 nan 8.370 nan 0.000 0.526 691 T N 1.784 116.347 114.554 0.016 0.000 2.905 691 T HA 0.063 4.413 4.350 -0.001 0.000 0.299 691 T C 0.227 174.939 174.700 0.020 0.000 1.024 691 T CA 0.381 62.492 62.100 0.019 0.000 1.151 691 T CB 0.224 69.101 68.868 0.014 0.000 0.987 691 T HN 0.303 nan 8.240 nan 0.000 0.535 692 E N 2.039 122.255 120.200 0.027 0.000 2.408 692 E HA 0.596 4.945 4.350 -0.001 0.000 0.275 692 E C -1.490 175.130 176.600 0.033 0.000 0.935 692 E CA -1.188 55.229 56.400 0.029 0.000 0.775 692 E CB 1.303 31.023 29.700 0.034 0.000 1.277 692 E HN 0.326 nan 8.360 nan 0.000 0.455 693 L N 2.508 123.748 121.223 0.028 0.000 2.275 693 L HA 0.484 4.824 4.340 -0.001 0.000 0.288 693 L C -1.233 175.660 176.870 0.038 0.000 1.046 693 L CA -0.389 54.467 54.840 0.028 0.000 0.805 693 L CB 0.881 42.951 42.059 0.018 0.000 1.193 693 L HN 0.610 nan 8.230 nan 0.000 0.426 694 I N 5.221 125.819 120.570 0.047 0.000 2.359 694 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 694 I C -0.128 176.017 176.117 0.047 0.000 1.018 694 I CA -0.855 60.486 61.300 0.068 0.000 1.173 694 I CB 0.995 39.069 38.000 0.124 0.000 1.326 694 I HN 0.477 nan 8.210 nan 0.000 0.462 695 K N 5.299 125.722 120.400 0.039 0.000 2.081 695 K HA 0.441 4.760 4.320 -0.001 0.000 0.230 695 K C 0.307 176.924 176.600 0.029 0.000 1.199 695 K CA -0.077 56.225 56.287 0.026 0.000 1.130 695 K CB -0.033 32.478 32.500 0.018 0.000 1.386 695 K HN 0.848 nan 8.250 nan 0.000 0.280 696 G N -1.255 107.561 108.800 0.027 0.000 2.335 696 G HA2 0.268 4.228 3.960 -0.001 0.000 0.291 696 G HA3 0.268 4.228 3.960 -0.001 0.000 0.291 696 G C -1.704 173.194 174.900 -0.004 0.000 1.261 696 G CA -0.803 44.311 45.100 0.022 0.000 0.871 696 G HN 0.033 nan 8.290 nan 0.000 0.491 697 V N 0.714 120.614 119.914 -0.022 0.000 2.409 697 V HA 0.656 4.775 4.120 -0.001 0.000 0.291 697 V C -0.720 175.299 176.094 -0.126 0.000 1.020 697 V CA -0.603 61.651 62.300 -0.077 0.000 0.848 697 V CB 1.243 33.002 31.823 -0.106 0.000 0.990 697 V HN 0.818 nan 8.190 nan 0.000 0.430 698 L N 7.908 129.016 121.223 -0.193 0.000 2.313 698 L HA 0.853 5.192 4.340 -0.001 0.000 0.283 698 L C -0.351 176.357 176.870 -0.271 0.000 1.013 698 L CA -0.150 54.465 54.840 -0.375 0.000 0.816 698 L CB 1.751 43.489 42.059 -0.535 0.000 1.236 698 L HN 0.562 nan 8.230 nan 0.000 0.419 699 V N 1.533 121.296 119.914 -0.250 0.000 2.864 699 V HA 0.610 4.730 4.120 -0.001 0.000 0.314 699 V C -0.358 175.662 176.094 -0.123 0.000 1.073 699 V CA -0.516 61.697 62.300 -0.145 0.000 0.956 699 V CB 1.857 33.631 31.823 -0.082 0.000 1.023 699 V HN 0.828 nan 8.190 nan 0.000 0.435 700 D N 1.057 121.412 120.400 -0.076 0.000 3.085 700 D HA 0.286 4.926 4.640 -0.001 0.000 0.243 700 D C -0.153 176.141 176.300 -0.010 0.000 1.232 700 D CA -0.276 53.696 54.000 -0.048 0.000 0.913 700 D CB 0.309 41.085 40.800 -0.040 0.000 1.108 700 D HN 0.527 nan 8.370 nan 0.000 0.468 701 K N 0.474 120.879 120.400 0.009 0.000 2.340 701 K HA 0.418 4.738 4.320 -0.001 0.000 0.244 701 K C 0.160 176.785 176.600 0.041 0.000 0.973 701 K CA -0.810 55.500 56.287 0.038 0.000 0.828 701 K CB 2.271 34.822 32.500 0.087 0.000 1.226 701 K HN 0.265 nan 8.250 nan 0.000 0.437 702 E N 0.545 120.762 120.200 0.029 0.000 2.334 702 E HA 0.489 4.839 4.350 -0.001 0.000 0.256 702 E C -0.657 175.943 176.600 0.000 0.000 0.958 702 E CA -1.153 55.261 56.400 0.023 0.000 0.821 702 E CB 0.899 30.609 29.700 0.017 0.000 1.269 702 E HN 0.091 nan 8.360 nan 0.000 0.413 703 R N 1.203 121.700 120.500 -0.006 0.000 2.242 703 R HA 0.083 4.423 4.340 -0.001 0.000 0.334 703 R C 0.854 177.135 176.300 -0.032 0.000 1.071 703 R CA -0.153 55.929 56.100 -0.030 0.000 0.922 703 R CB 0.875 31.162 30.300 -0.022 0.000 1.023 703 R HN 0.581 nan 8.270 nan 0.000 0.458 704 V N 1.977 121.862 119.914 -0.048 0.000 2.546 704 V HA -0.177 3.943 4.120 -0.001 0.000 0.254 704 V C 0.737 176.801 176.094 -0.050 0.000 1.076 704 V CA 2.012 64.282 62.300 -0.050 0.000 1.087 704 V CB 0.032 31.816 31.823 -0.065 0.000 0.674 704 V HN 0.714 nan 8.190 nan 0.000 0.470 705 S N -2.209 113.464 115.700 -0.044 0.000 2.536 705 S HA 0.672 5.141 4.470 -0.001 0.000 0.287 705 S C 0.748 175.341 174.600 -0.012 0.000 1.101 705 S CA -0.183 57.997 58.200 -0.032 0.000 0.950 705 S CB 1.840 65.017 63.200 -0.038 0.000 1.056 705 S HN 0.516 nan 8.310 nan 0.000 0.481 706 A N 2.987 125.806 122.820 -0.002 0.000 2.125 706 A HA -0.069 4.251 4.320 -0.001 0.000 0.219 706 A C 1.868 179.459 177.584 0.011 0.000 1.156 706 A CA 1.623 53.664 52.037 0.006 0.000 0.671 706 A CB -0.586 18.420 19.000 0.009 0.000 0.794 706 A HN 0.894 nan 8.150 nan 0.000 0.459 707 Q N -1.088 118.723 119.800 0.018 0.000 2.389 707 Q HA 0.118 4.458 4.340 -0.001 0.000 0.204 707 Q C 0.488 176.499 176.000 0.018 0.000 0.944 707 Q CA 0.046 55.865 55.803 0.026 0.000 0.908 707 Q CB -0.062 28.706 28.738 0.050 0.000 1.002 707 Q HN 0.684 nan 8.270 nan 0.000 0.493 708 M N 1.898 121.503 119.600 0.007 0.000 2.255 708 M HA 0.276 4.755 4.480 -0.001 0.000 0.336 708 M C -2.080 174.219 176.300 -0.002 0.000 1.135 708 M CA -2.023 53.276 55.300 -0.001 0.000 1.145 708 M CB 0.685 33.275 32.600 -0.017 0.000 1.473 708 M HN -0.084 nan 8.290 nan 0.000 0.462 709 P HA 0.014 nan 4.420 nan 0.000 0.266 709 P C -0.471 176.828 177.300 -0.003 0.000 1.193 709 P CA 0.282 63.381 63.100 -0.001 0.000 0.770 709 P CB 0.454 32.153 31.700 -0.002 0.000 0.836 710 K N 1.443 121.845 120.400 0.003 0.000 2.393 710 K HA 0.045 4.365 4.320 -0.001 0.000 0.193 710 K C 0.591 177.201 176.600 0.016 0.000 1.026 710 K CA 0.543 56.836 56.287 0.009 0.000 1.064 710 K CB 0.094 32.600 32.500 0.010 0.000 0.833 710 K HN 0.507 nan 8.250 nan 0.000 0.521 711 K N -0.872 119.535 120.400 0.012 0.000 2.568 711 K HA 0.395 4.715 4.320 -0.001 0.000 0.273 711 K C -1.328 175.280 176.600 0.014 0.000 0.951 711 K CA -0.921 55.378 56.287 0.019 0.000 0.854 711 K CB 2.127 34.637 32.500 0.017 0.000 1.424 711 K HN -0.279 nan 8.250 nan 0.000 0.427 712 V N 1.447 121.374 119.914 0.021 0.000 2.525 712 V HA 0.400 4.520 4.120 -0.001 0.000 0.299 712 V C -0.403 175.705 176.094 0.025 0.000 1.034 712 V CA -0.598 61.712 62.300 0.018 0.000 0.863 712 V CB 1.807 33.638 31.823 0.013 0.000 0.999 712 V HN 1.005 nan 8.190 nan 0.000 0.423 713 T N -0.053 114.512 114.554 0.018 0.000 2.902 713 T HA 0.539 4.888 4.350 -0.001 0.000 0.283 713 T C 0.167 174.878 174.700 0.018 0.000 1.009 713 T CA -0.221 61.890 62.100 0.018 0.000 1.051 713 T CB 1.275 70.149 68.868 0.011 0.000 0.999 713 T HN 0.799 nan 8.240 nan 0.000 0.474 714 D N 0.397 120.808 120.400 0.019 0.000 2.689 714 D HA -0.161 4.479 4.640 -0.001 0.000 0.237 714 D C 0.323 176.639 176.300 0.025 0.000 1.148 714 D CA 0.836 54.848 54.000 0.019 0.000 0.656 714 D CB -1.257 39.551 40.800 0.014 0.000 1.050 714 D HN 1.107 nan 8.370 nan 0.000 0.426 715 A N 1.395 124.236 122.820 0.034 0.000 2.477 715 A HA 0.353 4.673 4.320 -0.001 0.000 0.246 715 A C 0.505 178.117 177.584 0.047 0.000 1.078 715 A CA 0.189 52.251 52.037 0.043 0.000 0.770 715 A CB 0.547 19.584 19.000 0.062 0.000 1.011 715 A HN 0.156 nan 8.150 nan 0.000 0.494 716 K N 3.015 123.441 120.400 0.044 0.000 2.347 716 K HA 0.386 4.706 4.320 -0.001 0.000 0.262 716 K C -1.196 175.441 176.600 0.061 0.000 1.052 716 K CA -0.243 56.071 56.287 0.046 0.000 0.946 716 K CB 0.934 33.453 32.500 0.032 0.000 1.220 716 K HN 0.524 nan 8.250 nan 0.000 0.450 717 I N 2.142 122.765 120.570 0.088 0.000 2.342 717 I HA 0.203 4.372 4.170 -0.001 0.000 0.291 717 I C 0.371 176.560 176.117 0.120 0.000 1.010 717 I CA -0.172 61.213 61.300 0.142 0.000 1.308 717 I CB 1.364 39.483 38.000 0.199 0.000 1.400 717 I HN 0.508 nan 8.210 nan 0.000 0.488 718 A N 7.590 130.485 122.820 0.125 0.000 2.330 718 A HA 0.846 5.166 4.320 -0.001 0.000 0.327 718 A C -0.767 176.905 177.584 0.145 0.000 1.155 718 A CA -0.562 51.535 52.037 0.099 0.000 0.803 718 A CB 0.639 19.674 19.000 0.058 0.000 1.208 718 A HN 0.658 nan 8.150 nan 0.000 0.477 719 L N 3.455 124.743 121.223 0.108 0.000 2.318 719 L HA 0.463 4.803 4.340 -0.001 0.000 0.277 719 L C -1.045 175.866 176.870 0.069 0.000 1.008 719 L CA -0.100 54.803 54.840 0.105 0.000 0.846 719 L CB 1.036 43.135 42.059 0.067 0.000 1.220 719 L HN 0.571 nan 8.230 nan 0.000 0.423 720 L N 3.117 124.382 121.223 0.071 0.000 2.341 720 L HA 0.370 4.710 4.340 -0.001 0.000 0.278 720 L C 0.531 177.428 176.870 0.044 0.000 1.005 720 L CA -0.568 54.301 54.840 0.047 0.000 0.818 720 L CB 1.963 44.046 42.059 0.039 0.000 1.259 720 L HN 0.584 nan 8.230 nan 0.000 0.418 721 N N 0.190 118.909 118.700 0.031 0.000 2.353 721 N HA -0.019 4.720 4.740 -0.001 0.000 0.185 721 N C 0.238 175.760 175.510 0.020 0.000 1.098 721 N CA -0.209 52.856 53.050 0.025 0.000 0.872 721 N CB 0.173 38.670 38.487 0.018 0.000 0.970 721 N HN 0.412 nan 8.380 nan 0.000 0.467 722 C N 1.505 120.817 119.300 0.019 0.000 2.435 722 C HA 0.767 5.227 4.460 -0.001 0.000 0.375 722 C C 0.949 175.947 174.990 0.015 0.000 1.281 722 C CA -0.986 58.041 59.018 0.015 0.000 1.963 722 C CB -1.247 26.502 27.740 0.015 0.000 2.490 722 C HN 0.577 nan 8.230 nan 0.000 0.557 723 A N 6.573 129.399 122.820 0.010 0.000 2.520 723 A HA 0.363 4.682 4.320 -0.001 0.000 0.235 723 A C 0.420 178.007 177.584 0.005 0.000 1.065 723 A CA 0.004 52.044 52.037 0.006 0.000 0.764 723 A CB 0.072 19.074 19.000 0.003 0.000 1.002 723 A HN 0.815 nan 8.150 nan 0.000 0.502 724 I N 2.438 123.008 120.570 0.001 0.000 2.191 724 I HA 0.187 4.356 4.170 -0.001 0.000 0.289 724 I C 0.115 176.229 176.117 -0.005 0.000 1.141 724 I CA 0.727 62.027 61.300 0.001 0.000 1.430 724 I CB -1.539 36.459 38.000 -0.004 0.000 1.497 724 I HN 0.609 nan 8.210 nan 0.000 0.636 725 E N 2.940 123.140 120.200 -0.000 0.000 2.283 725 E HA 0.453 4.802 4.350 -0.001 0.000 0.258 725 E C -0.794 175.809 176.600 0.006 0.000 0.893 725 E CA -0.488 55.910 56.400 -0.003 0.000 0.798 725 E CB 2.335 32.031 29.700 -0.006 0.000 1.242 725 E HN 0.199 nan 8.360 nan 0.000 0.414 726 E N 1.894 122.099 120.200 0.009 0.000 2.278 726 E HA 0.180 4.530 4.350 -0.001 0.000 0.272 726 E C -1.154 175.457 176.600 0.018 0.000 0.890 726 E CA -0.553 55.857 56.400 0.017 0.000 0.770 726 E CB 1.894 31.610 29.700 0.028 0.000 1.212 726 E HN 0.276 nan 8.360 nan 0.000 0.415 727 T N 2.893 117.456 114.554 0.016 0.000 2.940 727 T HA 0.482 4.832 4.350 -0.001 0.000 0.309 727 T C -0.240 174.475 174.700 0.026 0.000 1.056 727 T CA 0.894 63.004 62.100 0.017 0.000 1.137 727 T CB -0.254 68.622 68.868 0.013 0.000 0.976 727 T HN 1.324 nan 8.240 nan 0.000 0.547 728 A N 3.179 126.016 122.820 0.029 0.000 2.435 728 A HA -0.046 4.274 4.320 -0.001 0.000 0.686 728 A C 1.256 178.881 177.584 0.069 0.000 0.138 728 A CA 0.500 52.562 52.037 0.042 0.000 0.024 728 A CB -1.853 17.168 19.000 0.036 0.000 3.974 728 A HN 1.874 nan 8.150 nan 0.000 0.548 729 S N 0.622 116.380 115.700 0.096 0.000 2.489 729 S HA -0.012 4.457 4.470 -0.001 0.000 0.228 729 S C 1.366 176.086 174.600 0.199 0.000 0.995 729 S CA 1.429 59.744 58.200 0.192 0.000 0.934 729 S CB 0.077 63.414 63.200 0.229 0.000 0.771 729 S HN 1.162 nan 8.310 nan 0.000 0.522 730 E N 1.883 122.144 120.200 0.102 0.000 2.046 730 E HA 0.046 4.396 4.350 -0.001 0.000 0.190 730 E C 1.994 178.622 176.600 0.046 0.000 0.982 730 E CA 1.404 57.836 56.400 0.053 0.000 0.800 730 E CB -0.417 29.302 29.700 0.032 0.000 0.756 730 E HN 0.594 nan 8.360 nan 0.000 0.449 731 M N -0.522 119.110 119.600 0.053 0.000 2.200 731 M HA -0.041 4.439 4.480 -0.001 0.000 0.265 731 M C 2.037 178.373 176.300 0.061 0.000 1.066 731 M CA 0.647 55.973 55.300 0.043 0.000 1.127 731 M CB -0.109 32.512 32.600 0.035 0.000 1.379 731 M HN 0.194 nan 8.290 nan 0.000 0.420 732 L N 0.959 122.238 121.223 0.093 0.000 2.093 732 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 732 L C 2.410 179.391 176.870 0.186 0.000 1.085 732 L CA 1.825 56.739 54.840 0.123 0.000 0.755 732 L CB -0.697 41.437 42.059 0.125 0.000 0.904 732 L HN 0.147 nan 8.230 nan 0.000 0.435 733 K N -0.374 120.150 120.400 0.207 0.000 2.057 733 K HA -0.198 4.122 4.320 -0.001 0.000 0.207 733 K C 1.567 178.165 176.600 -0.004 0.000 1.049 733 K CA 1.822 58.139 56.287 0.049 0.000 0.931 733 K CB -0.297 32.079 32.500 -0.206 0.000 0.714 733 K HN 0.374 nan 8.250 nan 0.000 0.440 734 D N 0.618 121.024 120.400 0.010 0.000 2.178 734 D HA -0.111 4.529 4.640 -0.001 0.000 0.202 734 D C 2.014 178.323 176.300 0.015 0.000 0.974 734 D CA 1.026 55.026 54.000 0.001 0.000 0.841 734 D CB -0.083 40.720 40.800 0.005 0.000 0.953 734 D HN 0.290 nan 8.370 nan 0.000 0.478 735 M N -0.131 119.490 119.600 0.034 0.000 2.117 735 M HA -0.127 4.353 4.480 -0.001 0.000 0.262 735 M C 2.252 178.574 176.300 0.037 0.000 1.065 735 M CA 0.866 56.188 55.300 0.036 0.000 1.114 735 M CB -0.043 32.583 32.600 0.044 0.000 1.361 735 M HN -0.115 nan 8.290 nan 0.000 0.408 736 V N 0.203 120.151 119.914 0.056 0.000 2.358 736 V HA -0.209 3.911 4.120 -0.001 0.000 0.246 736 V C 2.579 178.689 176.094 0.026 0.000 1.047 736 V CA 1.905 64.240 62.300 0.058 0.000 1.035 736 V CB -1.128 30.765 31.823 0.117 0.000 0.658 736 V HN 0.511 nan 8.190 nan 0.000 0.452 737 A N -0.085 122.739 122.820 0.006 0.000 1.969 737 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 737 A C 2.175 179.759 177.584 -0.001 0.000 1.169 737 A CA 1.927 53.958 52.037 -0.010 0.000 0.635 737 A CB -0.410 18.574 19.000 -0.027 0.000 0.810 737 A HN 0.551 nan 8.150 nan 0.000 0.445 738 E N 0.283 120.486 120.200 0.006 0.000 2.107 738 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 738 E C 1.654 178.260 176.600 0.011 0.000 0.982 738 E CA 1.151 57.556 56.400 0.008 0.000 0.809 738 E CB -0.357 29.349 29.700 0.011 0.000 0.756 738 E HN 0.644 nan 8.360 nan 0.000 0.459 739 I N 0.246 120.825 120.570 0.014 0.000 2.252 739 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 739 I C 2.270 178.394 176.117 0.011 0.000 1.102 739 I CA 1.137 62.445 61.300 0.014 0.000 1.385 739 I CB -0.239 37.771 38.000 0.016 0.000 1.064 739 I HN 0.061 nan 8.210 nan 0.000 0.414 740 K N 1.795 122.201 120.400 0.009 0.000 2.057 740 K HA -0.134 4.185 4.320 -0.001 0.000 0.207 740 K C 2.036 178.639 176.600 0.005 0.000 1.049 740 K CA 1.730 58.021 56.287 0.006 0.000 0.931 740 K CB -0.392 32.109 32.500 0.002 0.000 0.714 740 K HN 0.269 nan 8.250 nan 0.000 0.440 741 A N 0.280 123.103 122.820 0.004 0.000 1.972 741 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 741 A C 2.140 179.728 177.584 0.007 0.000 1.169 741 A CA 2.141 54.181 52.037 0.004 0.000 0.635 741 A CB -1.016 17.985 19.000 0.003 0.000 0.810 741 A HN 0.568 nan 8.150 nan 0.000 0.446 742 S N -1.668 114.037 115.700 0.009 0.000 2.442 742 S HA 0.238 4.708 4.470 -0.001 0.000 0.236 742 S C 1.646 176.254 174.600 0.013 0.000 1.007 742 S CA 1.454 59.661 58.200 0.012 0.000 0.965 742 S CB -0.560 62.649 63.200 0.016 0.000 0.773 742 S HN 1.989 nan 8.310 nan 0.000 0.504 743 G N 0.655 109.462 108.800 0.011 0.000 2.175 743 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.244 743 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.244 743 G C 0.253 175.162 174.900 0.014 0.000 0.982 743 G CA 0.028 45.135 45.100 0.012 0.000 0.641 743 G HN 1.368 nan 8.290 nan 0.000 0.527 744 A N -0.002 122.827 122.820 0.015 0.000 2.498 744 A HA 0.595 4.914 4.320 -0.001 0.000 0.239 744 A C 1.171 178.760 177.584 0.008 0.000 1.068 744 A CA 0.960 53.007 52.037 0.017 0.000 0.766 744 A CB 0.196 19.208 19.000 0.020 0.000 1.003 744 A HN 0.363 nan 8.150 nan 0.000 0.497 745 N N 0.334 119.039 118.700 0.007 0.000 2.382 745 N HA 0.114 4.853 4.740 -0.001 0.000 0.200 745 N C -0.644 174.850 175.510 -0.027 0.000 1.122 745 N CA 0.491 53.538 53.050 -0.004 0.000 0.870 745 N CB 0.885 39.374 38.487 0.004 0.000 1.176 745 N HN 0.381 nan 8.380 nan 0.000 0.474 746 V N 2.357 122.253 119.914 -0.030 0.000 2.495 746 V HA 0.441 4.561 4.120 -0.001 0.000 0.298 746 V C -0.875 175.148 176.094 -0.119 0.000 1.031 746 V CA -0.824 61.414 62.300 -0.103 0.000 0.871 746 V CB 2.366 34.162 31.823 -0.044 0.000 0.988 746 V HN 0.002 nan 8.190 nan 0.000 0.432 747 L N 5.627 126.703 121.223 -0.245 0.000 2.372 747 L HA 0.670 5.010 4.340 -0.001 0.000 0.274 747 L C -1.326 175.347 176.870 -0.329 0.000 0.988 747 L CA 0.013 54.751 54.840 -0.170 0.000 0.833 747 L CB 1.287 43.292 42.059 -0.089 0.000 1.236 747 L HN 0.472 nan 8.230 nan 0.000 0.410 748 F N 4.946 124.897 119.950 0.002 0.000 2.361 748 F HA 0.419 4.946 4.527 -0.001 0.000 0.364 748 F C 0.255 176.054 175.800 -0.003 0.000 1.117 748 F CA -0.314 57.684 58.000 -0.003 0.000 1.071 748 F CB 1.241 40.238 39.000 -0.004 0.000 1.188 748 F HN 0.489 nan 8.300 nan 0.000 0.464 749 C N 5.164 124.539 119.300 0.125 0.000 2.295 749 C HA 0.220 4.679 4.460 -0.001 0.000 0.331 749 C C 1.680 176.716 174.990 0.077 0.000 1.280 749 C CA -0.462 58.602 59.018 0.076 0.000 1.746 749 C CB 0.639 28.396 27.740 0.029 0.000 2.328 749 C HN 0.937 nan 8.230 nan 0.000 0.521 750 Q N 3.336 123.173 119.800 0.061 0.000 2.084 750 Q HA -0.054 4.285 4.340 -0.001 0.000 0.202 750 Q C 0.851 176.868 176.000 0.029 0.000 0.978 750 Q CA 1.629 57.458 55.803 0.043 0.000 0.844 750 Q CB 0.172 28.927 28.738 0.029 0.000 0.898 750 Q HN 0.760 nan 8.270 nan 0.000 0.426 751 K N -1.146 119.268 120.400 0.023 0.000 2.646 751 K HA 0.421 4.741 4.320 -0.001 0.000 0.270 751 K C 0.392 176.998 176.600 0.009 0.000 1.026 751 K CA -0.191 56.103 56.287 0.013 0.000 1.043 751 K CB 0.063 32.569 32.500 0.009 0.000 1.383 751 K HN 0.105 nan 8.250 nan 0.000 0.513 752 G N 0.279 109.079 108.800 0.000 0.000 2.634 752 G HA2 0.397 4.357 3.960 -0.001 0.000 0.255 752 G HA3 0.397 4.357 3.960 -0.001 0.000 0.255 752 G C -0.499 174.392 174.900 -0.015 0.000 1.205 752 G CA -0.523 44.572 45.100 -0.009 0.000 0.884 752 G HN 0.371 nan 8.290 nan 0.000 0.549 753 I N 0.451 121.004 120.570 -0.028 0.000 2.447 753 I HA 0.161 4.331 4.170 -0.001 0.000 0.287 753 I C -0.516 175.565 176.117 -0.059 0.000 1.023 753 I CA -0.747 60.528 61.300 -0.041 0.000 1.083 753 I CB 2.039 40.010 38.000 -0.049 0.000 1.245 753 I HN 0.414 nan 8.210 nan 0.000 0.434 754 D N 5.367 125.731 120.400 -0.059 0.000 2.414 754 D HA -0.042 4.597 4.640 -0.001 0.000 0.242 754 D C 0.668 176.891 176.300 -0.127 0.000 1.129 754 D CA 0.164 54.119 54.000 -0.074 0.000 0.885 754 D CB 1.314 42.079 40.800 -0.058 0.000 1.198 754 D HN 0.500 nan 8.370 nan 0.000 0.437 755 D N 3.191 123.504 120.400 -0.144 0.000 2.190 755 D HA -0.182 4.457 4.640 -0.001 0.000 0.200 755 D C 1.844 177.927 176.300 -0.362 0.000 0.992 755 D CA 0.553 54.403 54.000 -0.251 0.000 0.854 755 D CB 0.155 40.849 40.800 -0.177 0.000 0.936 755 D HN 0.475 nan 8.370 nan 0.000 0.462 756 L N 0.530 121.633 121.223 -0.201 0.000 2.056 756 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 756 L C 2.328 178.981 176.870 -0.362 0.000 1.078 756 L CA 1.247 55.958 54.840 -0.215 0.000 0.749 756 L CB -0.144 41.818 42.059 -0.162 0.000 0.901 756 L HN -0.046 nan 8.230 nan 0.000 0.433 757 A N -0.848 121.840 122.820 -0.221 0.000 1.969 757 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 757 A C 2.063 179.579 177.584 -0.114 0.000 1.169 757 A CA 1.448 53.410 52.037 -0.125 0.000 0.635 757 A CB -0.408 18.562 19.000 -0.050 0.000 0.810 757 A HN 0.595 nan 8.150 nan 0.000 0.445 758 Q N -1.117 118.563 119.800 -0.199 0.000 2.170 758 Q HA -0.170 4.170 4.340 -0.001 0.000 0.203 758 Q C 1.932 177.840 176.000 -0.154 0.000 0.976 758 Q CA 1.357 57.044 55.803 -0.192 0.000 0.858 758 Q CB -0.251 28.318 28.738 -0.280 0.000 0.907 758 Q HN 0.748 nan 8.270 nan 0.000 0.433 759 H N -0.800 118.204 119.070 -0.110 0.000 2.326 759 H HA -0.122 4.433 4.556 -0.001 0.000 0.301 759 H C 1.742 177.111 175.328 0.068 0.000 1.081 759 H CA 1.259 57.261 56.048 -0.077 0.000 1.334 759 H CB -0.215 29.434 29.762 -0.189 0.000 1.385 759 H HN 0.305 nan 8.280 nan 0.000 0.504 760 Y N 0.658 121.026 120.300 0.113 0.000 2.314 760 Y HA -0.057 4.493 4.550 -0.001 0.000 0.293 760 Y C 2.809 178.725 175.900 0.028 0.000 1.129 760 Y CA 0.109 58.243 58.100 0.057 0.000 1.201 760 Y CB -0.902 37.583 38.460 0.041 0.000 0.999 760 Y HN 0.056 nan 8.280 nan 0.000 0.541 761 L N -0.761 120.562 121.223 0.167 0.000 2.046 761 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 761 L C 2.631 179.535 176.870 0.056 0.000 1.077 761 L CA 1.255 56.140 54.840 0.076 0.000 0.747 761 L CB -0.779 41.293 42.059 0.021 0.000 0.896 761 L HN 0.158 nan 8.230 nan 0.000 0.432 762 A N -0.052 122.807 122.820 0.065 0.000 1.930 762 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 762 A C 2.299 179.923 177.584 0.066 0.000 1.175 762 A CA 1.508 53.579 52.037 0.056 0.000 0.627 762 A CB -0.308 18.732 19.000 0.067 0.000 0.815 762 A HN 0.313 nan 8.150 nan 0.000 0.443 763 K N -0.384 120.076 120.400 0.100 0.000 2.211 763 K HA -0.084 4.236 4.320 -0.001 0.000 0.203 763 K C 1.191 177.817 176.600 0.044 0.000 1.050 763 K CA 1.162 57.496 56.287 0.079 0.000 0.945 763 K CB 0.007 32.573 32.500 0.110 0.000 0.732 763 K HN 0.358 nan 8.250 nan 0.000 0.451 764 E N -0.470 119.757 120.200 0.045 0.000 2.489 764 E HA 0.024 4.373 4.350 -0.001 0.000 0.193 764 E C 0.876 177.485 176.600 0.016 0.000 1.057 764 E CA 0.420 56.834 56.400 0.022 0.000 0.866 764 E CB 0.641 30.355 29.700 0.022 0.000 0.916 764 E HN 0.451 nan 8.360 nan 0.000 0.500 765 G N 1.920 110.731 108.800 0.019 0.000 2.147 765 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.244 765 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.244 765 G C 0.234 175.134 174.900 0.000 0.000 1.005 765 G CA 0.174 45.279 45.100 0.010 0.000 0.713 765 G HN 0.268 nan 8.290 nan 0.000 0.515 766 I N 1.041 121.611 120.570 -0.000 0.000 2.342 766 I HA 0.423 4.592 4.170 -0.001 0.000 0.291 766 I C 1.018 177.113 176.117 -0.036 0.000 1.010 766 I CA -1.088 60.201 61.300 -0.017 0.000 1.308 766 I CB 1.551 39.544 38.000 -0.012 0.000 1.400 766 I HN 0.148 nan 8.210 nan 0.000 0.488 767 V N 3.804 123.682 119.914 -0.061 0.000 2.509 767 V HA 0.912 5.031 4.120 -0.001 0.000 0.284 767 V C 0.062 176.061 176.094 -0.158 0.000 1.047 767 V CA -0.283 61.962 62.300 -0.091 0.000 0.952 767 V CB 1.173 32.943 31.823 -0.089 0.000 0.988 767 V HN 0.821 nan 8.190 nan 0.000 0.469 768 A N 3.620 126.342 122.820 -0.162 0.000 2.515 768 A HA 0.999 5.318 4.320 -0.001 0.000 0.298 768 A C -0.330 177.136 177.584 -0.197 0.000 1.059 768 A CA -0.314 51.601 52.037 -0.202 0.000 0.698 768 A CB 1.877 20.804 19.000 -0.121 0.000 1.289 768 A HN 2.330 nan 8.150 nan 0.000 0.404 769 A N 1.912 124.590 122.820 -0.237 0.000 2.359 769 A HA 0.739 5.059 4.320 -0.001 0.000 0.303 769 A C -0.008 177.562 177.584 -0.023 0.000 1.066 769 A CA -0.649 51.323 52.037 -0.109 0.000 0.730 769 A CB 0.779 19.734 19.000 -0.076 0.000 1.211 769 A HN 1.205 nan 8.150 nan 0.000 0.439 770 R N 1.839 122.335 120.500 -0.007 0.000 2.700 770 R HA 0.718 5.057 4.340 -0.001 0.000 0.253 770 R C -0.362 175.954 176.300 0.027 0.000 1.091 770 R CA -0.782 55.324 56.100 0.009 0.000 1.104 770 R CB 0.406 30.699 30.300 -0.012 0.000 1.202 770 R HN 0.493 nan 8.270 nan 0.000 0.532 771 R N -0.927 119.587 120.500 0.023 0.000 3.516 771 R HA -0.111 4.229 4.340 -0.001 0.000 0.271 771 R C -0.681 175.638 176.300 0.032 0.000 1.098 771 R CA 0.569 56.682 56.100 0.021 0.000 0.732 771 R CB -2.620 27.686 30.300 0.010 0.000 1.152 771 R HN 0.528 nan 8.270 nan 0.000 0.455 772 V N 1.414 121.360 119.914 0.053 0.000 2.572 772 V HA 0.036 4.155 4.120 -0.001 0.000 0.291 772 V C 1.468 177.576 176.094 0.024 0.000 1.039 772 V CA -0.021 62.316 62.300 0.061 0.000 1.055 772 V CB 1.180 33.072 31.823 0.114 0.000 0.969 772 V HN 0.153 nan 8.190 nan 0.000 0.482 773 K N 3.311 123.714 120.400 0.005 0.000 2.382 773 K HA 0.030 4.349 4.320 -0.001 0.000 0.275 773 K C 1.209 177.800 176.600 -0.015 0.000 1.009 773 K CA -0.317 55.965 56.287 -0.008 0.000 0.970 773 K CB 0.548 33.037 32.500 -0.017 0.000 0.934 773 K HN 0.608 nan 8.250 nan 0.000 0.479 774 K N 1.977 122.370 120.400 -0.012 0.000 2.074 774 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 774 K C 1.914 178.499 176.600 -0.026 0.000 1.048 774 K CA 2.229 58.507 56.287 -0.014 0.000 0.926 774 K CB -0.553 31.941 32.500 -0.010 0.000 0.713 774 K HN 0.583 nan 8.250 nan 0.000 0.444 775 S N 0.182 115.864 115.700 -0.029 0.000 2.359 775 S HA -0.171 4.299 4.470 -0.001 0.000 0.224 775 S C 1.401 175.967 174.600 -0.058 0.000 1.035 775 S CA 1.785 59.963 58.200 -0.038 0.000 1.018 775 S CB -0.555 62.624 63.200 -0.034 0.000 0.876 775 S HN 0.424 nan 8.310 nan 0.000 0.448 776 D N 0.915 121.274 120.400 -0.067 0.000 2.144 776 D HA -0.060 4.579 4.640 -0.001 0.000 0.199 776 D C 2.001 178.214 176.300 -0.146 0.000 0.984 776 D CA 0.980 54.913 54.000 -0.110 0.000 0.834 776 D CB -0.273 40.466 40.800 -0.101 0.000 0.955 776 D HN 0.382 nan 8.370 nan 0.000 0.465 777 M N 0.478 120.021 119.600 -0.096 0.000 2.159 777 M HA -0.086 4.393 4.480 -0.001 0.000 0.263 777 M C 1.888 178.140 176.300 -0.080 0.000 1.063 777 M CA 1.200 56.449 55.300 -0.085 0.000 1.110 777 M CB -0.751 31.830 32.600 -0.031 0.000 1.374 777 M HN 0.118 nan 8.290 nan 0.000 0.411 778 E N 0.017 120.178 120.200 -0.065 0.000 2.076 778 E HA -0.121 4.228 4.350 -0.001 0.000 0.190 778 E C 2.063 178.625 176.600 -0.064 0.000 0.979 778 E CA 0.793 57.162 56.400 -0.052 0.000 0.807 778 E CB 0.015 29.692 29.700 -0.038 0.000 0.761 778 E HN 0.494 nan 8.360 nan 0.000 0.454 779 K N 0.680 121.031 120.400 -0.082 0.000 2.097 779 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 779 K C 2.197 178.733 176.600 -0.107 0.000 1.049 779 K CA 0.834 57.069 56.287 -0.086 0.000 0.933 779 K CB -0.084 32.359 32.500 -0.095 0.000 0.717 779 K HN 0.106 nan 8.250 nan 0.000 0.442 780 L N 0.474 121.600 121.223 -0.162 0.000 2.093 780 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 780 L C 2.580 179.385 176.870 -0.108 0.000 1.085 780 L CA 1.030 55.750 54.840 -0.200 0.000 0.755 780 L CB -0.537 41.296 42.059 -0.377 0.000 0.904 780 L HN 0.193 nan 8.230 nan 0.000 0.435 781 A N 0.088 122.861 122.820 -0.078 0.000 1.930 781 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 781 A C 2.321 179.890 177.584 -0.025 0.000 1.175 781 A CA 1.526 53.540 52.037 -0.037 0.000 0.627 781 A CB -0.280 18.703 19.000 -0.028 0.000 0.815 781 A HN 0.306 nan 8.150 nan 0.000 0.443 782 K N -0.315 120.066 120.400 -0.032 0.000 2.026 782 K HA -0.040 4.279 4.320 -0.001 0.000 0.208 782 K C 2.333 178.928 176.600 -0.008 0.000 1.048 782 K CA 1.196 57.472 56.287 -0.019 0.000 0.929 782 K CB -0.283 32.203 32.500 -0.024 0.000 0.713 782 K HN 0.437 nan 8.250 nan 0.000 0.439 783 A N 1.022 123.830 122.820 -0.020 0.000 1.855 783 A HA -0.124 4.196 4.320 -0.001 0.000 0.213 783 A C 2.287 179.876 177.584 0.010 0.000 1.195 783 A CA 2.032 54.065 52.037 -0.007 0.000 0.610 783 A CB -0.940 18.044 19.000 -0.027 0.000 0.837 783 A HN 0.451 nan 8.150 nan 0.000 0.444 784 T N -4.302 110.253 114.554 0.001 0.000 3.043 784 T HA 0.357 4.707 4.350 -0.001 0.000 0.263 784 T C 1.485 176.203 174.700 0.030 0.000 1.094 784 T CA 1.235 63.346 62.100 0.020 0.000 1.127 784 T CB -0.132 68.749 68.868 0.021 0.000 0.905 784 T HN 1.772 nan 8.240 nan 0.000 0.490 785 G N 1.526 110.338 108.800 0.020 0.000 2.143 785 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.248 785 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.248 785 G C 0.282 175.194 174.900 0.020 0.000 0.991 785 G CA 0.035 45.148 45.100 0.022 0.000 0.689 785 G HN 1.208 nan 8.290 nan 0.000 0.522 786 A N -0.327 122.504 122.820 0.018 0.000 2.445 786 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 786 A C 0.458 178.052 177.584 0.017 0.000 1.075 786 A CA 0.551 52.603 52.037 0.025 0.000 0.777 786 A CB 0.378 19.398 19.000 0.034 0.000 1.013 786 A HN 0.818 nan 8.150 nan 0.000 0.493 787 N N 1.659 120.372 118.700 0.021 0.000 2.444 787 N HA 0.358 5.098 4.740 -0.001 0.000 0.262 787 N C -0.874 174.648 175.510 0.020 0.000 0.974 787 N CA -0.356 52.703 53.050 0.016 0.000 0.933 787 N CB 1.159 39.655 38.487 0.015 0.000 1.137 787 N HN 0.288 nan 8.380 nan 0.000 0.498 788 V N 4.911 124.834 119.914 0.014 0.000 2.485 788 V HA 0.141 4.261 4.120 -0.001 0.000 0.287 788 V C 0.400 176.504 176.094 0.017 0.000 1.022 788 V CA -0.064 62.246 62.300 0.017 0.000 1.067 788 V CB -0.124 31.704 31.823 0.009 0.000 0.967 788 V HN 0.516 nan 8.190 nan 0.000 0.479 789 I N 4.132 124.716 120.570 0.022 0.000 2.441 789 I HA 0.438 4.608 4.170 -0.001 0.000 0.295 789 I C 0.986 177.114 176.117 0.018 0.000 0.994 789 I CA -0.338 60.974 61.300 0.019 0.000 1.144 789 I CB 1.314 39.327 38.000 0.021 0.000 1.314 789 I HN 0.635 nan 8.210 nan 0.000 0.445 790 A N 5.622 128.450 122.820 0.014 0.000 1.832 790 A HA 0.355 4.674 4.320 -0.001 0.000 0.214 790 A C 1.079 178.671 177.584 0.014 0.000 1.204 790 A CA 1.096 53.140 52.037 0.013 0.000 0.606 790 A CB -0.175 18.831 19.000 0.010 0.000 0.849 790 A HN 0.733 nan 8.150 nan 0.000 0.445 791 A N -1.023 121.804 122.820 0.013 0.000 2.317 791 A HA 0.645 4.965 4.320 -0.001 0.000 0.327 791 A C 0.737 178.329 177.584 0.014 0.000 1.178 791 A CA -0.594 51.451 52.037 0.013 0.000 0.817 791 A CB 0.403 19.410 19.000 0.011 0.000 1.189 791 A HN 0.364 nan 8.150 nan 0.000 0.489 792 I N 1.820 122.399 120.570 0.015 0.000 2.335 792 I HA -0.332 3.838 4.170 -0.001 0.000 0.251 792 I C 2.755 178.880 176.117 0.014 0.000 1.129 792 I CA 1.637 62.946 61.300 0.016 0.000 1.402 792 I CB -0.246 37.763 38.000 0.016 0.000 1.069 792 I HN 0.778 nan 8.210 nan 0.000 0.424 793 A N 0.819 123.646 122.820 0.012 0.000 1.917 793 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 793 A C 2.505 180.095 177.584 0.010 0.000 1.182 793 A CA 2.090 54.133 52.037 0.010 0.000 0.633 793 A CB -0.745 18.260 19.000 0.009 0.000 0.819 793 A HN 0.460 nan 8.150 nan 0.000 0.448 794 A N -1.298 121.528 122.820 0.011 0.000 2.067 794 A HA 0.291 4.611 4.320 -0.001 0.000 0.217 794 A C 1.023 178.614 177.584 0.012 0.000 1.156 794 A CA 0.471 52.514 52.037 0.011 0.000 0.683 794 A CB -0.451 18.556 19.000 0.010 0.000 0.808 794 A HN 0.597 nan 8.150 nan 0.000 0.455 795 L N 1.818 123.050 121.223 0.014 0.000 2.477 795 L HA 0.360 4.700 4.340 -0.001 0.000 0.272 795 L C 0.379 177.258 176.870 0.015 0.000 1.157 795 L CA 0.502 55.352 54.840 0.016 0.000 0.889 795 L CB 0.388 42.458 42.059 0.019 0.000 1.158 795 L HN 0.343 nan 8.230 nan 0.000 0.473 796 S N 3.375 119.084 115.700 0.015 0.000 2.704 796 S HA 0.781 5.250 4.470 -0.001 0.000 0.296 796 S C 0.837 175.446 174.600 0.016 0.000 1.138 796 S CA -0.349 57.859 58.200 0.014 0.000 0.875 796 S CB 1.277 64.484 63.200 0.012 0.000 1.151 796 S HN 0.811 nan 8.310 nan 0.000 0.500 797 A N 0.376 123.205 122.820 0.015 0.000 2.024 797 A HA -0.083 4.237 4.320 -0.001 0.000 0.220 797 A C 2.022 179.617 177.584 0.018 0.000 1.164 797 A CA 1.532 53.579 52.037 0.016 0.000 0.643 797 A CB -1.061 17.947 19.000 0.014 0.000 0.806 797 A HN 0.857 nan 8.150 nan 0.000 0.451 798 Q N -0.519 119.291 119.800 0.016 0.000 2.436 798 Q HA -0.100 4.239 4.340 -0.001 0.000 0.209 798 Q C 0.548 176.559 176.000 0.018 0.000 0.965 798 Q CA 0.983 56.795 55.803 0.016 0.000 0.910 798 Q CB 0.011 28.756 28.738 0.013 0.000 0.980 798 Q HN 0.613 nan 8.270 nan 0.000 0.491 799 D N -0.202 120.209 120.400 0.020 0.000 2.350 799 D HA 0.015 4.655 4.640 -0.001 0.000 0.213 799 D C -0.146 176.171 176.300 0.028 0.000 1.031 799 D CA 0.223 54.236 54.000 0.022 0.000 0.861 799 D CB 0.373 41.186 40.800 0.021 0.000 0.926 799 D HN 0.096 nan 8.370 nan 0.000 0.520 800 L N 0.968 122.209 121.223 0.031 0.000 2.380 800 L HA 0.325 4.664 4.340 -0.001 0.000 0.273 800 L C 1.285 178.178 176.870 0.040 0.000 1.138 800 L CA -0.032 54.831 54.840 0.039 0.000 0.832 800 L CB 1.012 43.093 42.059 0.036 0.000 1.124 800 L HN -0.174 nan 8.230 nan 0.000 0.454 801 G N 1.183 110.012 108.800 0.048 0.000 2.488 801 G HA2 0.535 4.494 3.960 -0.001 0.000 0.318 801 G HA3 0.535 4.494 3.960 -0.001 0.000 0.318 801 G C -1.110 173.821 174.900 0.051 0.000 1.188 801 G CA -0.460 44.668 45.100 0.046 0.000 0.944 801 G HN 0.529 nan 8.290 nan 0.000 0.495 802 D N -0.395 120.033 120.400 0.047 0.000 2.350 802 D HA 0.661 5.301 4.640 -0.001 0.000 0.245 802 D C -0.251 176.075 176.300 0.044 0.000 1.036 802 D CA 0.066 54.093 54.000 0.045 0.000 0.848 802 D CB 1.972 42.795 40.800 0.039 0.000 1.307 802 D HN 0.592 nan 8.370 nan 0.000 0.469 803 A N 0.303 123.150 122.820 0.046 0.000 2.488 803 A HA 0.622 4.942 4.320 -0.001 0.000 0.298 803 A C 0.961 178.567 177.584 0.037 0.000 1.044 803 A CA -0.413 51.651 52.037 0.045 0.000 0.693 803 A CB 1.614 20.655 19.000 0.069 0.000 1.272 803 A HN 0.487 nan 8.150 nan 0.000 0.402 804 G N 0.329 109.144 108.800 0.025 0.000 2.408 804 G HA2 0.300 4.259 3.960 -0.001 0.000 0.217 804 G HA3 0.300 4.259 3.960 -0.001 0.000 0.217 804 G C 0.284 175.200 174.900 0.026 0.000 1.150 804 G CA 1.652 46.763 45.100 0.018 0.000 0.776 804 G HN 1.220 nan 8.290 nan 0.000 0.542 805 L N 0.121 121.367 121.223 0.039 0.000 2.562 805 L HA 0.584 4.923 4.340 -0.001 0.000 0.266 805 L C -1.332 175.584 176.870 0.077 0.000 0.949 805 L CA -0.732 54.136 54.840 0.047 0.000 0.879 805 L CB 2.421 44.500 42.059 0.033 0.000 1.278 805 L HN -0.148 nan 8.230 nan 0.000 0.404 806 V N 4.496 124.461 119.914 0.084 0.000 2.334 806 V HA 0.625 4.744 4.120 -0.001 0.000 0.281 806 V C -0.365 175.792 176.094 0.103 0.000 1.016 806 V CA -0.426 61.947 62.300 0.121 0.000 0.832 806 V CB 1.390 33.294 31.823 0.136 0.000 0.999 806 V HN 0.823 nan 8.190 nan 0.000 0.439 807 E N 3.270 123.552 120.200 0.138 0.000 2.292 807 E HA 0.388 4.738 4.350 -0.001 0.000 0.272 807 E C -0.879 175.821 176.600 0.167 0.000 0.881 807 E CA -0.681 55.784 56.400 0.108 0.000 0.754 807 E CB 2.065 31.799 29.700 0.057 0.000 1.201 807 E HN 0.742 nan 8.360 nan 0.000 0.425 808 E N 4.422 124.691 120.200 0.114 0.000 2.129 808 E HA 0.199 4.549 4.350 -0.001 0.000 0.283 808 E C -0.865 175.801 176.600 0.110 0.000 1.080 808 E CA -0.156 56.320 56.400 0.128 0.000 0.867 808 E CB 0.601 30.344 29.700 0.072 0.000 1.056 808 E HN 0.346 nan 8.360 nan 0.000 0.404 809 R N 3.599 124.209 120.500 0.183 0.000 2.750 809 R HA 0.412 4.751 4.340 -0.001 0.000 0.281 809 R C -0.682 175.707 176.300 0.149 0.000 0.972 809 R CA -0.924 55.229 56.100 0.088 0.000 0.912 809 R CB 1.968 32.186 30.300 -0.137 0.000 1.187 809 R HN 0.329 nan 8.270 nan 0.000 0.464 810 K N 1.975 122.418 120.400 0.071 0.000 2.159 810 K HA 0.458 4.778 4.320 -0.001 0.000 0.266 810 K C -0.755 175.889 176.600 0.073 0.000 0.975 810 K CA -0.458 55.873 56.287 0.074 0.000 0.865 810 K CB 1.736 34.259 32.500 0.038 0.000 1.087 810 K HN 0.435 nan 8.250 nan 0.000 0.446 811 I N 1.413 122.037 120.570 0.091 0.000 2.468 811 I HA 0.056 4.226 4.170 -0.001 0.000 0.285 811 I C -0.635 175.513 176.117 0.051 0.000 1.039 811 I CA -0.018 61.331 61.300 0.080 0.000 1.074 811 I CB 1.324 39.403 38.000 0.132 0.000 1.228 811 I HN 0.700 nan 8.210 nan 0.000 0.436 812 S N 4.743 120.463 115.700 0.033 0.000 3.587 812 S HA -0.198 4.272 4.470 -0.001 0.000 0.337 812 S C 1.070 175.681 174.600 0.019 0.000 1.119 812 S CA 1.182 59.395 58.200 0.021 0.000 0.976 812 S CB -1.612 61.599 63.200 0.018 0.000 0.922 812 S HN 1.594 nan 8.310 nan 0.000 0.503 813 G N 0.089 108.902 108.800 0.022 0.000 2.284 813 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.230 813 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.230 813 G C -0.417 174.499 174.900 0.026 0.000 1.021 813 G CA 0.124 45.235 45.100 0.020 0.000 0.619 813 G HN 0.596 nan 8.290 nan 0.000 0.510 814 D N 1.261 121.680 120.400 0.031 0.000 2.308 814 D HA 0.471 5.110 4.640 -0.001 0.000 0.251 814 D C 0.303 176.635 176.300 0.054 0.000 1.127 814 D CA 0.497 54.517 54.000 0.034 0.000 0.876 814 D CB 1.614 42.429 40.800 0.025 0.000 1.176 814 D HN 0.197 nan 8.370 nan 0.000 0.446 815 S N 2.908 118.638 115.700 0.048 0.000 2.481 815 S HA 0.400 4.869 4.470 -0.001 0.000 0.276 815 S C -0.230 174.412 174.600 0.070 0.000 1.247 815 S CA -0.402 57.838 58.200 0.067 0.000 1.053 815 S CB 0.035 63.264 63.200 0.047 0.000 0.925 815 S HN 0.313 nan 8.310 nan 0.000 0.491 816 M N 4.477 124.147 119.600 0.117 0.000 2.619 816 M HA 0.532 5.011 4.480 -0.001 0.000 0.297 816 M C -1.069 175.305 176.300 0.124 0.000 1.229 816 M CA -0.637 54.701 55.300 0.062 0.000 0.860 816 M CB 2.153 34.737 32.600 -0.026 0.000 1.741 816 M HN 0.438 nan 8.290 nan 0.000 0.462 817 I N 1.688 122.270 120.570 0.021 0.000 2.339 817 I HA 0.362 4.532 4.170 -0.001 0.000 0.290 817 I C -1.345 174.753 176.117 -0.030 0.000 0.994 817 I CA -0.368 61.002 61.300 0.116 0.000 1.191 817 I CB 0.931 39.033 38.000 0.169 0.000 1.343 817 I HN 0.437 nan 8.210 nan 0.000 0.458 818 F N 5.969 125.955 119.950 0.061 0.000 2.385 818 F HA 0.379 4.906 4.527 -0.001 0.000 0.360 818 F C 0.092 175.925 175.800 0.056 0.000 1.122 818 F CA -0.772 57.255 58.000 0.044 0.000 1.090 818 F CB 1.362 40.378 39.000 0.027 0.000 1.150 818 F HN 0.016 nan 8.300 nan 0.000 0.472 819 V N 4.424 124.432 119.914 0.157 0.000 2.311 819 V HA 0.398 4.517 4.120 -0.001 0.000 0.275 819 V C -0.298 175.852 176.094 0.094 0.000 1.022 819 V CA -0.533 61.837 62.300 0.117 0.000 0.830 819 V CB 0.565 32.423 31.823 0.057 0.000 1.012 819 V HN 0.838 nan 8.190 nan 0.000 0.452 820 E N 3.140 123.399 120.200 0.097 0.000 2.446 820 E HA 0.622 4.972 4.350 -0.001 0.000 0.276 820 E C -0.668 175.958 176.600 0.044 0.000 0.969 820 E CA -0.877 55.566 56.400 0.072 0.000 0.800 820 E CB 1.681 31.436 29.700 0.091 0.000 1.341 820 E HN 0.220 nan 8.360 nan 0.000 0.460 821 E N -1.204 119.010 120.200 0.023 0.000 3.181 821 E HA -0.156 4.193 4.350 -0.001 0.000 0.293 821 E C -0.552 176.042 176.600 -0.009 0.000 0.936 821 E CA 0.748 57.149 56.400 0.002 0.000 0.975 821 E CB -2.398 27.306 29.700 0.006 0.000 1.496 821 E HN 0.593 nan 8.360 nan 0.000 0.429 822 C N 0.968 120.265 119.300 -0.005 0.000 2.689 822 C HA 0.068 4.528 4.460 -0.001 0.000 0.409 822 C C 2.304 177.257 174.990 -0.061 0.000 1.293 822 C CA -0.028 58.983 59.018 -0.011 0.000 2.136 822 C CB 0.420 28.163 27.740 0.005 0.000 2.719 822 C HN 0.355 nan 8.230 nan 0.000 0.644 823 K N 0.418 120.774 120.400 -0.072 0.000 2.001 823 K HA -0.133 4.187 4.320 -0.001 0.000 0.214 823 K C 0.063 176.374 176.600 -0.481 0.000 1.050 823 K CA 1.784 57.938 56.287 -0.221 0.000 0.934 823 K CB -0.137 32.325 32.500 -0.065 0.000 0.718 823 K HN 0.732 nan 8.250 nan 0.000 0.443 824 H N -0.404 118.670 119.070 0.007 0.000 2.488 824 H HA 0.202 4.757 4.556 -0.001 0.000 0.237 824 H C -2.591 172.738 175.328 0.002 0.000 1.395 824 H CA -1.752 54.299 56.048 0.005 0.000 1.491 824 H CB 0.700 30.464 29.762 0.003 0.000 1.567 824 H HN 0.121 nan 8.280 nan 0.000 0.508 825 P HA 0.064 nan 4.420 nan 0.000 0.271 825 P C 0.147 177.471 177.300 0.040 0.000 1.220 825 P CA -0.520 62.602 63.100 0.037 0.000 0.768 825 P CB 1.572 33.280 31.700 0.015 0.000 0.848 826 K N 1.050 121.466 120.400 0.027 0.000 2.399 826 K HA 0.458 4.778 4.320 -0.001 0.000 0.204 826 K C 0.373 176.976 176.600 0.004 0.000 1.023 826 K CA -0.291 56.007 56.287 0.019 0.000 1.127 826 K CB 0.492 33.000 32.500 0.015 0.000 0.856 826 K HN 0.542 nan 8.250 nan 0.000 0.514 827 A N 0.515 123.334 122.820 -0.002 0.000 2.486 827 A HA 0.662 4.981 4.320 -0.001 0.000 0.300 827 A C -0.597 176.981 177.584 -0.010 0.000 1.048 827 A CA -0.726 51.304 52.037 -0.012 0.000 0.696 827 A CB 1.474 20.458 19.000 -0.027 0.000 1.278 827 A HN -0.040 nan 8.150 nan 0.000 0.405 828 V N -1.086 118.822 119.914 -0.010 0.000 3.074 828 V HA 0.966 5.086 4.120 -0.001 0.000 0.314 828 V C -0.434 175.652 176.094 -0.014 0.000 1.117 828 V CA -0.578 61.719 62.300 -0.006 0.000 1.014 828 V CB 1.715 33.539 31.823 0.003 0.000 1.057 828 V HN 0.853 nan 8.190 nan 0.000 0.438 829 T N 4.099 118.647 114.554 -0.010 0.000 2.841 829 T HA 0.513 4.863 4.350 -0.001 0.000 0.285 829 T C -0.516 174.182 174.700 -0.003 0.000 0.991 829 T CA -0.212 61.876 62.100 -0.021 0.000 0.966 829 T CB 1.346 70.184 68.868 -0.049 0.000 0.962 829 T HN 0.957 nan 8.240 nan 0.000 0.438 830 M N 4.894 124.491 119.600 -0.006 0.000 2.063 830 M HA 0.477 4.957 4.480 -0.001 0.000 0.348 830 M C -1.153 175.148 176.300 0.003 0.000 1.180 830 M CA -0.709 54.593 55.300 0.004 0.000 1.059 830 M CB 0.275 32.876 32.600 0.002 0.000 1.544 830 M HN 0.532 nan 8.290 nan 0.000 0.447 831 L N 7.305 128.539 121.223 0.019 0.000 2.259 831 L HA 0.467 4.806 4.340 -0.001 0.000 0.288 831 L C -1.041 175.843 176.870 0.025 0.000 1.051 831 L CA -0.410 54.445 54.840 0.025 0.000 0.824 831 L CB 0.442 42.539 42.059 0.064 0.000 1.206 831 L HN 0.754 nan 8.230 nan 0.000 0.429 832 I N 5.534 126.112 120.570 0.014 0.000 2.325 832 I HA 0.318 4.487 4.170 -0.001 0.000 0.291 832 I C 0.227 176.353 176.117 0.014 0.000 1.019 832 I CA -0.303 61.004 61.300 0.013 0.000 1.302 832 I CB 0.859 38.863 38.000 0.007 0.000 1.401 832 I HN 0.577 nan 8.210 nan 0.000 0.485 833 R N 4.033 124.543 120.500 0.016 0.000 2.828 833 R HA 0.898 5.237 4.340 -0.001 0.000 0.264 833 R C -0.237 176.070 176.300 0.012 0.000 1.022 833 R CA -0.974 55.135 56.100 0.016 0.000 1.021 833 R CB 2.153 32.465 30.300 0.020 0.000 1.163 833 R HN 0.831 nan 8.270 nan 0.000 0.494 834 G N -0.906 107.901 108.800 0.010 0.000 2.340 834 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.298 834 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.298 834 G C -0.090 174.815 174.900 0.007 0.000 1.498 834 G CA -0.479 44.627 45.100 0.010 0.000 0.847 834 G HN 0.413 nan 8.290 nan 0.000 0.594 835 T N -0.669 113.891 114.554 0.010 0.000 2.995 835 T HA 0.279 4.628 4.350 -0.001 0.000 0.269 835 T C 0.783 175.487 174.700 0.006 0.000 1.091 835 T CA 2.172 64.277 62.100 0.009 0.000 1.128 835 T CB -0.219 68.656 68.868 0.013 0.000 0.891 835 T HN 0.701 nan 8.240 nan 0.000 0.492 836 T N 1.027 115.585 114.554 0.006 0.000 2.956 836 T HA 0.272 4.622 4.350 -0.001 0.000 0.312 836 T C 0.275 174.959 174.700 -0.026 0.000 1.151 836 T CA -0.776 61.321 62.100 -0.004 0.000 1.024 836 T CB 2.165 71.050 68.868 0.029 0.000 1.140 836 T HN -0.109 nan 8.240 nan 0.000 0.473 837 E N 1.011 121.155 120.200 -0.093 0.000 2.070 837 E HA -0.197 4.152 4.350 -0.001 0.000 0.197 837 E C 1.667 178.192 176.600 -0.125 0.000 1.004 837 E CA 1.671 57.981 56.400 -0.151 0.000 0.805 837 E CB -0.071 29.470 29.700 -0.266 0.000 0.744 837 E HN 0.560 nan 8.360 nan 0.000 0.451 838 H N -0.239 118.834 119.070 0.005 0.000 2.491 838 H HA -0.009 4.546 4.556 -0.001 0.000 0.290 838 H C 2.265 177.596 175.328 0.005 0.000 1.050 838 H CA 0.614 56.664 56.048 0.004 0.000 1.309 838 H CB -0.039 29.725 29.762 0.004 0.000 1.392 838 H HN -0.009 nan 8.280 nan 0.000 0.554 839 V N 1.895 121.874 119.914 0.109 0.000 2.323 839 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 839 V C 2.582 178.702 176.094 0.044 0.000 1.041 839 V CA 1.603 63.942 62.300 0.065 0.000 1.025 839 V CB -0.455 31.395 31.823 0.046 0.000 0.656 839 V HN 0.413 nan 8.190 nan 0.000 0.451 840 I N -1.902 118.685 120.570 0.028 0.000 3.111 840 I HA -0.035 4.134 4.170 -0.001 0.000 0.272 840 I C 2.061 178.190 176.117 0.019 0.000 1.268 840 I CA 1.218 62.528 61.300 0.017 0.000 1.467 840 I CB -0.557 37.446 38.000 0.004 0.000 1.087 840 I HN 0.280 nan 8.210 nan 0.000 0.467 841 E N 1.532 121.751 120.200 0.032 0.000 2.106 841 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 841 E C 1.960 178.584 176.600 0.039 0.000 0.984 841 E CA 1.115 57.540 56.400 0.042 0.000 0.806 841 E CB 0.040 29.789 29.700 0.082 0.000 0.750 841 E HN 0.538 nan 8.360 nan 0.000 0.458 842 E N 0.329 120.555 120.200 0.043 0.000 2.107 842 E HA -0.098 4.251 4.350 -0.001 0.000 0.191 842 E C 2.316 178.930 176.600 0.025 0.000 0.982 842 E CA 0.552 56.971 56.400 0.032 0.000 0.809 842 E CB -0.041 29.679 29.700 0.034 0.000 0.756 842 E HN 0.126 nan 8.360 nan 0.000 0.459 843 V N 1.839 121.767 119.914 0.024 0.000 2.358 843 V HA -0.235 3.885 4.120 -0.001 0.000 0.246 843 V C 2.498 178.601 176.094 0.014 0.000 1.047 843 V CA 1.724 64.034 62.300 0.018 0.000 1.035 843 V CB -0.885 30.948 31.823 0.017 0.000 0.658 843 V HN 0.223 nan 8.190 nan 0.000 0.452 844 A N 0.443 123.271 122.820 0.013 0.000 1.892 844 A HA -0.306 4.013 4.320 -0.001 0.000 0.218 844 A C 2.318 179.908 177.584 0.009 0.000 1.188 844 A CA 2.478 54.521 52.037 0.009 0.000 0.631 844 A CB -0.550 18.454 19.000 0.007 0.000 0.822 844 A HN 0.467 nan 8.150 nan 0.000 0.447 845 R N -0.068 120.439 120.500 0.012 0.000 2.092 845 R HA 0.069 4.408 4.340 -0.001 0.000 0.231 845 R C 2.160 178.467 176.300 0.011 0.000 1.119 845 R CA 1.760 57.866 56.100 0.011 0.000 0.970 845 R CB -0.882 29.425 30.300 0.012 0.000 0.864 845 R HN 0.390 nan 8.270 nan 0.000 0.440 846 A N 0.141 122.969 122.820 0.013 0.000 1.908 846 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 846 A C 2.160 179.751 177.584 0.012 0.000 1.181 846 A CA 1.971 54.016 52.037 0.014 0.000 0.627 846 A CB -0.851 18.160 19.000 0.017 0.000 0.818 846 A HN 0.314 nan 8.150 nan 0.000 0.445 847 V N -2.283 117.637 119.914 0.010 0.000 2.951 847 V HA -0.045 4.074 4.120 -0.001 0.000 0.255 847 V C 1.775 177.872 176.094 0.006 0.000 1.088 847 V CA 2.137 64.442 62.300 0.008 0.000 1.109 847 V CB -0.664 31.163 31.823 0.007 0.000 0.724 847 V HN 0.452 nan 8.190 nan 0.000 0.471 848 D N 1.155 121.559 120.400 0.005 0.000 2.178 848 D HA -0.189 4.450 4.640 -0.001 0.000 0.201 848 D C 1.683 177.985 176.300 0.004 0.000 0.980 848 D CA 1.777 55.779 54.000 0.004 0.000 0.842 848 D CB -0.043 40.759 40.800 0.003 0.000 0.948 848 D HN 0.514 nan 8.370 nan 0.000 0.472 849 D N -0.514 119.890 120.400 0.006 0.000 2.149 849 D HA 0.035 4.674 4.640 -0.001 0.000 0.206 849 D C 2.042 178.346 176.300 0.007 0.000 0.967 849 D CA 1.252 55.256 54.000 0.007 0.000 0.848 849 D CB -0.609 40.196 40.800 0.009 0.000 0.998 849 D HN 0.253 nan 8.370 nan 0.000 0.474 850 A N 0.848 123.673 122.820 0.008 0.000 1.908 850 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 850 A C 2.368 179.955 177.584 0.006 0.000 1.181 850 A CA 1.421 53.462 52.037 0.008 0.000 0.627 850 A CB -0.922 18.083 19.000 0.008 0.000 0.818 850 A HN 0.188 nan 8.150 nan 0.000 0.445 851 V N -0.153 119.764 119.914 0.005 0.000 2.759 851 V HA -0.073 4.047 4.120 -0.001 0.000 0.256 851 V C 2.260 178.356 176.094 0.004 0.000 1.080 851 V CA 2.115 64.417 62.300 0.004 0.000 1.101 851 V CB -0.616 31.209 31.823 0.003 0.000 0.698 851 V HN 0.569 nan 8.190 nan 0.000 0.477 852 G N -0.242 108.561 108.800 0.004 0.000 2.395 852 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.214 852 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.214 852 G C 1.616 176.519 174.900 0.005 0.000 1.177 852 G CA 1.219 46.322 45.100 0.004 0.000 0.794 852 G HN 0.660 nan 8.290 nan 0.000 0.532 853 V N -1.074 118.843 119.914 0.006 0.000 2.871 853 V HA 0.002 4.121 4.120 -0.001 0.000 0.256 853 V C 2.575 178.672 176.094 0.006 0.000 1.082 853 V CA 1.200 63.504 62.300 0.007 0.000 1.105 853 V CB -0.364 31.464 31.823 0.008 0.000 0.713 853 V HN 0.114 nan 8.190 nan 0.000 0.473 854 V N 2.013 121.930 119.914 0.006 0.000 2.379 854 V HA -0.006 4.114 4.120 -0.001 0.000 0.245 854 V C 2.920 179.017 176.094 0.005 0.000 1.044 854 V CA 2.125 64.428 62.300 0.005 0.000 1.036 854 V CB -1.319 30.506 31.823 0.004 0.000 0.664 854 V HN 0.605 nan 8.190 nan 0.000 0.453 855 G N -1.367 107.436 108.800 0.005 0.000 2.418 855 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.217 855 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.217 855 G C 1.887 176.790 174.900 0.005 0.000 1.158 855 G CA 1.200 46.303 45.100 0.004 0.000 0.771 855 G HN 0.529 nan 8.290 nan 0.000 0.545 856 C N 0.535 119.838 119.300 0.005 0.000 2.429 856 C HA -0.021 4.438 4.460 -0.001 0.000 0.277 856 C C 3.151 178.145 174.990 0.007 0.000 1.262 856 C CA 2.001 61.023 59.018 0.006 0.000 1.733 856 C CB -1.052 26.692 27.740 0.007 0.000 2.010 856 C HN 0.400 nan 8.230 nan 0.000 0.483 857 T N 1.018 115.576 114.554 0.007 0.000 2.833 857 T HA -0.089 4.261 4.350 -0.001 0.000 0.269 857 T C 1.570 176.274 174.700 0.006 0.000 1.054 857 T CA 1.814 63.918 62.100 0.007 0.000 1.135 857 T CB -0.247 68.624 68.868 0.006 0.000 0.869 857 T HN 0.590 nan 8.240 nan 0.000 0.466 858 I N 0.633 121.206 120.570 0.005 0.000 2.286 858 I HA -0.074 4.095 4.170 -0.001 0.000 0.245 858 I C 2.539 178.659 176.117 0.005 0.000 1.104 858 I CA 1.205 62.508 61.300 0.005 0.000 1.397 858 I CB -0.254 37.748 38.000 0.005 0.000 1.072 858 I HN 0.262 nan 8.210 nan 0.000 0.417 859 E N 0.160 120.364 120.200 0.005 0.000 2.152 859 E HA -0.081 4.269 4.350 -0.001 0.000 0.192 859 E C -0.114 176.489 176.600 0.006 0.000 0.983 859 E CA 0.699 57.102 56.400 0.005 0.000 0.818 859 E CB 0.221 29.924 29.700 0.005 0.000 0.758 859 E HN 0.375 nan 8.360 nan 0.000 0.467 860 D N -0.533 119.871 120.400 0.007 0.000 2.505 860 D HA 0.140 4.779 4.640 -0.001 0.000 0.250 860 D C -0.061 176.244 176.300 0.008 0.000 1.164 860 D CA -0.165 53.840 54.000 0.008 0.000 0.870 860 D CB 1.720 42.526 40.800 0.009 0.000 1.160 860 D HN 0.084 nan 8.370 nan 0.000 0.549 861 G N 2.060 110.865 108.800 0.008 0.000 3.279 861 G HA2 0.005 3.965 3.960 -0.001 0.000 0.230 861 G HA3 0.005 3.965 3.960 -0.001 0.000 0.230 861 G C 0.615 175.521 174.900 0.009 0.000 1.230 861 G CA -0.096 45.008 45.100 0.007 0.000 0.891 861 G HN 0.095 nan 8.290 nan 0.000 0.518 862 R N -0.069 120.437 120.500 0.010 0.000 2.437 862 R HA 0.608 4.948 4.340 -0.001 0.000 0.310 862 R C -0.477 175.831 176.300 0.012 0.000 0.955 862 R CA -0.574 55.533 56.100 0.012 0.000 0.851 862 R CB 1.520 31.828 30.300 0.013 0.000 1.161 862 R HN 0.305 nan 8.270 nan 0.000 0.446 863 I N -0.195 120.382 120.570 0.013 0.000 3.042 863 I HA 0.843 5.013 4.170 -0.001 0.000 0.310 863 I C -0.547 175.580 176.117 0.016 0.000 1.117 863 I CA -1.246 60.062 61.300 0.013 0.000 1.003 863 I CB 2.160 40.167 38.000 0.011 0.000 1.228 863 I HN 0.315 nan 8.210 nan 0.000 0.443 864 V N 0.136 120.061 119.914 0.018 0.000 3.130 864 V HA 0.839 4.959 4.120 -0.001 0.000 0.310 864 V C 0.071 176.179 176.094 0.023 0.000 1.158 864 V CA -0.404 61.908 62.300 0.021 0.000 1.029 864 V CB 1.161 32.998 31.823 0.024 0.000 1.057 864 V HN 1.156 nan 8.190 nan 0.000 0.436 865 S N 1.517 117.233 115.700 0.028 0.000 2.576 865 S HA 0.700 5.170 4.470 -0.001 0.000 0.276 865 S C 0.488 175.107 174.600 0.031 0.000 1.339 865 S CA 0.154 58.372 58.200 0.030 0.000 1.039 865 S CB 0.896 64.119 63.200 0.037 0.000 0.902 865 S HN 1.803 nan 8.310 nan 0.000 0.516 866 G N 0.073 108.892 108.800 0.031 0.000 2.641 866 G HA2 0.556 4.516 3.960 -0.001 0.000 0.239 866 G HA3 0.556 4.516 3.960 -0.001 0.000 0.239 866 G C 0.893 175.812 174.900 0.031 0.000 1.402 866 G CA -0.563 44.554 45.100 0.029 0.000 1.046 866 G HN 2.025 nan 8.290 nan 0.000 0.565 867 G N -2.224 106.593 108.800 0.029 0.000 2.155 867 G HA2 0.236 4.196 3.960 -0.001 0.000 0.257 867 G HA3 0.236 4.196 3.960 -0.001 0.000 0.257 867 G C 1.460 176.362 174.900 0.003 0.000 0.983 867 G CA 1.159 46.274 45.100 0.025 0.000 0.676 867 G HN 2.515 nan 8.290 nan 0.000 0.528 868 G N -1.294 107.501 108.800 -0.009 0.000 2.157 868 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.248 868 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.248 868 G C 1.417 176.288 174.900 -0.049 0.000 0.979 868 G CA 1.654 46.733 45.100 -0.035 0.000 0.650 868 G HN 1.938 nan 8.290 nan 0.000 0.529 869 S N 0.058 115.753 115.700 -0.007 0.000 2.368 869 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 869 S C 2.799 177.390 174.600 -0.015 0.000 1.030 869 S CA 2.801 61.017 58.200 0.026 0.000 0.999 869 S CB -0.528 62.739 63.200 0.112 0.000 0.844 869 S HN 1.409 nan 8.310 nan 0.000 0.459 870 T N -0.396 114.158 114.554 0.001 0.000 2.701 870 T HA -0.046 4.303 4.350 -0.001 0.000 0.263 870 T C 1.565 176.230 174.700 -0.058 0.000 1.040 870 T CA 1.541 63.641 62.100 -0.001 0.000 1.147 870 T CB -0.873 68.000 68.868 0.008 0.000 0.865 870 T HN 0.405 nan 8.240 nan 0.000 0.426 871 E N 1.051 121.205 120.200 -0.076 0.000 2.130 871 E HA -0.076 4.274 4.350 -0.001 0.000 0.196 871 E C 2.289 178.797 176.600 -0.153 0.000 0.998 871 E CA 1.074 57.411 56.400 -0.105 0.000 0.806 871 E CB -0.764 28.876 29.700 -0.101 0.000 0.738 871 E HN 0.434 nan 8.360 nan 0.000 0.459 872 V N 0.436 120.212 119.914 -0.230 0.000 2.323 872 V HA -0.221 3.899 4.120 -0.001 0.000 0.244 872 V C 2.285 178.140 176.094 -0.399 0.000 1.041 872 V CA 1.840 63.924 62.300 -0.360 0.000 1.025 872 V CB -0.435 31.055 31.823 -0.555 0.000 0.656 872 V HN 0.212 nan 8.190 nan 0.000 0.451 873 E N 0.620 120.579 120.200 -0.402 0.000 2.097 873 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 873 E C 2.034 178.600 176.600 -0.057 0.000 1.000 873 E CA 1.715 58.081 56.400 -0.056 0.000 0.804 873 E CB -0.399 29.382 29.700 0.135 0.000 0.740 873 E HN 0.557 nan 8.360 nan 0.000 0.454 874 L N -0.147 121.033 121.223 -0.072 0.000 2.056 874 L HA -0.148 4.192 4.340 -0.001 0.000 0.207 874 L C 2.543 179.365 176.870 -0.080 0.000 1.078 874 L CA 1.273 56.080 54.840 -0.056 0.000 0.749 874 L CB -0.392 41.651 42.059 -0.027 0.000 0.901 874 L HN 0.111 nan 8.230 nan 0.000 0.433 875 S N -0.563 115.078 115.700 -0.099 0.000 2.382 875 S HA -0.148 4.322 4.470 -0.001 0.000 0.228 875 S C 2.014 176.560 174.600 -0.091 0.000 1.027 875 S CA 1.225 59.370 58.200 -0.091 0.000 0.991 875 S CB -0.110 63.028 63.200 -0.104 0.000 0.823 875 S HN 0.270 nan 8.310 nan 0.000 0.469 876 M N 1.383 120.925 119.600 -0.098 0.000 2.064 876 M HA -0.049 4.431 4.480 -0.001 0.000 0.260 876 M C 2.042 178.258 176.300 -0.140 0.000 1.073 876 M CA 1.608 56.861 55.300 -0.077 0.000 1.124 876 M CB -1.106 31.483 32.600 -0.018 0.000 1.326 876 M HN 0.225 nan 8.290 nan 0.000 0.410 877 K N 0.253 120.523 120.400 -0.216 0.000 2.103 877 K HA 0.001 4.321 4.320 -0.001 0.000 0.204 877 K C 2.061 178.148 176.600 -0.854 0.000 1.052 877 K CA 0.874 56.870 56.287 -0.486 0.000 0.945 877 K CB -0.179 32.048 32.500 -0.455 0.000 0.722 877 K HN 0.261 nan 8.250 nan 0.000 0.443 878 L N 0.534 121.465 121.223 -0.488 0.000 2.201 878 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 878 L C 2.341 179.154 176.870 -0.096 0.000 1.105 878 L CA 0.963 55.645 54.840 -0.262 0.000 0.775 878 L CB -0.275 41.778 42.059 -0.010 0.000 0.913 878 L HN 0.129 nan 8.230 nan 0.000 0.440 879 R N 0.043 120.484 120.500 -0.098 0.000 2.115 879 R HA -0.149 4.191 4.340 -0.001 0.000 0.230 879 R C 2.082 178.379 176.300 -0.005 0.000 1.111 879 R CA 1.223 57.306 56.100 -0.027 0.000 0.976 879 R CB -0.126 30.157 30.300 -0.028 0.000 0.870 879 R HN 0.463 nan 8.270 nan 0.000 0.445 880 E N -0.523 119.646 120.200 -0.051 0.000 2.107 880 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 880 E C 1.575 178.297 176.600 0.202 0.000 0.982 880 E CA 0.808 57.235 56.400 0.044 0.000 0.809 880 E CB 0.015 29.729 29.700 0.023 0.000 0.756 880 E HN 0.320 nan 8.360 nan 0.000 0.459 881 Y N 0.654 120.970 120.300 0.026 0.000 2.224 881 Y HA -0.087 4.462 4.550 -0.001 0.000 0.289 881 Y C 2.399 178.311 175.900 0.019 0.000 1.146 881 Y CA 0.588 58.701 58.100 0.020 0.000 1.182 881 Y CB -1.158 37.314 38.460 0.020 0.000 0.983 881 Y HN 0.033 nan 8.280 nan 0.000 0.524 882 A N 0.267 123.199 122.820 0.186 0.000 1.940 882 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 882 A C 2.175 179.810 177.584 0.085 0.000 1.176 882 A CA 1.672 53.778 52.037 0.114 0.000 0.631 882 A CB -0.394 18.661 19.000 0.092 0.000 0.814 882 A HN 0.319 nan 8.150 nan 0.000 0.446 883 E N -0.546 119.704 120.200 0.084 0.000 2.106 883 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 883 E C 2.147 178.780 176.600 0.055 0.000 0.984 883 E CA 1.139 57.576 56.400 0.062 0.000 0.806 883 E CB -0.610 29.124 29.700 0.058 0.000 0.750 883 E HN 0.595 nan 8.360 nan 0.000 0.458 884 G N 0.918 109.759 108.800 0.069 0.000 2.430 884 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.216 884 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.216 884 G C 1.742 176.658 174.900 0.027 0.000 1.146 884 G CA 0.161 45.287 45.100 0.043 0.000 0.793 884 G HN 0.142 nan 8.290 nan 0.000 0.537 885 I N -0.105 120.487 120.570 0.037 0.000 2.163 885 I HA -0.025 4.145 4.170 -0.001 0.000 0.240 885 I C 1.762 177.891 176.117 0.019 0.000 1.081 885 I CA 0.830 62.144 61.300 0.023 0.000 1.353 885 I CB -0.305 37.715 38.000 0.034 0.000 1.054 885 I HN 0.308 nan 8.210 nan 0.000 0.407 886 S N -1.135 114.582 115.700 0.028 0.000 3.513 886 S HA -0.119 4.351 4.470 -0.001 0.000 0.636 886 S C 0.448 175.059 174.600 0.017 0.000 2.452 886 S CA 0.756 58.970 58.200 0.022 0.000 2.644 886 S CB -1.419 61.791 63.200 0.016 0.000 0.331 886 S HN 1.458 nan 8.310 nan 0.000 1.787 887 G N 0.664 109.472 108.800 0.013 0.000 2.601 887 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.261 887 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.261 887 G C 0.328 175.235 174.900 0.011 0.000 1.289 887 G CA 0.966 46.071 45.100 0.008 0.000 0.920 887 G HN 1.090 nan 8.290 nan 0.000 0.571 888 R N 0.214 120.718 120.500 0.007 0.000 2.115 888 R HA 0.026 4.365 4.340 -0.001 0.000 0.226 888 R C 2.534 178.841 176.300 0.011 0.000 1.100 888 R CA 1.371 57.477 56.100 0.010 0.000 0.980 888 R CB -0.235 30.070 30.300 0.007 0.000 0.875 888 R HN 0.716 nan 8.270 nan 0.000 0.445 889 E N 0.952 121.157 120.200 0.007 0.000 2.171 889 E HA -0.263 4.087 4.350 -0.001 0.000 0.197 889 E C 2.058 178.677 176.600 0.030 0.000 0.997 889 E CA 1.078 57.483 56.400 0.008 0.000 0.810 889 E CB 0.100 29.801 29.700 0.001 0.000 0.738 889 E HN 0.205 nan 8.360 nan 0.000 0.467 890 Q N 0.596 120.416 119.800 0.035 0.000 2.226 890 Q HA -0.165 4.175 4.340 -0.001 0.000 0.204 890 Q C 2.146 178.184 176.000 0.063 0.000 0.975 890 Q CA 0.927 56.761 55.803 0.051 0.000 0.866 890 Q CB -0.068 28.695 28.738 0.043 0.000 0.915 890 Q HN 0.431 nan 8.270 nan 0.000 0.440 891 L N 0.049 121.304 121.223 0.053 0.000 2.027 891 L HA -0.140 4.199 4.340 -0.001 0.000 0.206 891 L C 2.606 179.534 176.870 0.096 0.000 1.074 891 L CA 1.266 56.142 54.840 0.060 0.000 0.745 891 L CB -0.657 41.426 42.059 0.039 0.000 0.898 891 L HN 0.167 nan 8.230 nan 0.000 0.433 892 A N -0.551 122.325 122.820 0.092 0.000 1.929 892 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 892 A C 2.312 180.097 177.584 0.336 0.000 1.176 892 A CA 1.280 53.417 52.037 0.166 0.000 0.628 892 A CB -0.679 18.304 19.000 -0.029 0.000 0.816 892 A HN 0.178 nan 8.150 nan 0.000 0.444 893 V N 0.137 120.176 119.914 0.209 0.000 2.343 893 V HA -0.229 3.890 4.120 -0.001 0.000 0.247 893 V C 2.673 178.897 176.094 0.217 0.000 1.051 893 V CA 2.328 64.748 62.300 0.200 0.000 1.036 893 V CB -0.789 31.101 31.823 0.112 0.000 0.654 893 V HN 0.623 nan 8.190 nan 0.000 0.451 894 R N 1.128 121.723 120.500 0.160 0.000 2.081 894 R HA -0.064 4.275 4.340 -0.001 0.000 0.235 894 R C 2.158 178.532 176.300 0.123 0.000 1.131 894 R CA 1.922 58.093 56.100 0.118 0.000 0.960 894 R CB -0.992 29.357 30.300 0.081 0.000 0.856 894 R HN 0.431 nan 8.270 nan 0.000 0.436 895 A N -0.455 122.464 122.820 0.165 0.000 1.933 895 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 895 A C 2.157 179.808 177.584 0.111 0.000 1.175 895 A CA 1.331 53.459 52.037 0.151 0.000 0.628 895 A CB -0.840 18.291 19.000 0.218 0.000 0.814 895 A HN 0.486 nan 8.150 nan 0.000 0.444 896 F N 0.983 120.944 119.950 0.018 0.000 2.075 896 F HA -0.104 4.423 4.527 -0.001 0.000 0.297 896 F C 2.536 178.258 175.800 -0.130 0.000 1.113 896 F CA 1.519 59.402 58.000 -0.195 0.000 1.218 896 F CB -0.397 38.518 39.000 -0.142 0.000 0.984 896 F HN 0.245 nan 8.300 nan 0.000 0.472 897 A N -0.172 122.720 122.820 0.120 0.000 1.902 897 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 897 A C 1.889 179.420 177.584 -0.089 0.000 1.181 897 A CA 1.964 54.010 52.037 0.014 0.000 0.623 897 A CB -0.977 18.064 19.000 0.069 0.000 0.818 897 A HN 0.457 nan 8.150 nan 0.000 0.443 898 D N 0.021 120.387 120.400 -0.058 0.000 2.219 898 D HA 0.024 4.664 4.640 -0.001 0.000 0.205 898 D C 2.116 178.349 176.300 -0.113 0.000 0.970 898 D CA 1.191 55.151 54.000 -0.067 0.000 0.851 898 D CB -0.350 40.434 40.800 -0.027 0.000 0.943 898 D HN 0.426 nan 8.370 nan 0.000 0.488 899 A N 0.621 123.337 122.820 -0.172 0.000 2.024 899 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 899 A C 2.244 179.696 177.584 -0.220 0.000 1.164 899 A CA 0.767 52.675 52.037 -0.215 0.000 0.643 899 A CB -0.714 18.086 19.000 -0.333 0.000 0.806 899 A HN 0.245 nan 8.150 nan 0.000 0.451 900 L N -0.359 120.718 121.223 -0.243 0.000 2.265 900 L HA -0.140 4.199 4.340 -0.001 0.000 0.215 900 L C 2.014 178.799 176.870 -0.142 0.000 1.117 900 L CA 0.769 55.488 54.840 -0.202 0.000 0.782 900 L CB -0.453 41.489 42.059 -0.195 0.000 0.914 900 L HN 0.325 nan 8.230 nan 0.000 0.441 901 E N -0.321 119.805 120.200 -0.123 0.000 2.409 901 E HA -0.141 4.208 4.350 -0.001 0.000 0.198 901 E C 2.181 178.730 176.600 -0.084 0.000 1.024 901 E CA 0.607 56.950 56.400 -0.095 0.000 0.861 901 E CB -0.191 29.461 29.700 -0.080 0.000 0.788 901 E HN 0.306 nan 8.360 nan 0.000 0.521 902 V N 0.863 120.722 119.914 -0.092 0.000 2.759 902 V HA -0.187 3.933 4.120 -0.001 0.000 0.256 902 V C 1.780 177.829 176.094 -0.073 0.000 1.080 902 V CA 0.908 63.161 62.300 -0.079 0.000 1.101 902 V CB -0.164 31.608 31.823 -0.084 0.000 0.698 902 V HN 0.127 nan 8.190 nan 0.000 0.477 903 I N 0.492 121.014 120.570 -0.080 0.000 2.296 903 I HA 0.018 4.188 4.170 -0.001 0.000 0.242 903 I C 0.128 176.207 176.117 -0.063 0.000 1.087 903 I CA 1.182 62.439 61.300 -0.071 0.000 1.393 903 I CB -2.733 35.222 38.000 -0.074 0.000 1.093 903 I HN 0.307 nan 8.210 nan 0.000 0.421 904 P HA -0.162 nan 4.420 nan 0.000 0.216 904 P C 1.826 179.094 177.300 -0.053 0.000 1.150 904 P CA 1.424 64.489 63.100 -0.058 0.000 0.843 904 P CB -0.093 31.567 31.700 -0.065 0.000 0.787 905 R N -0.627 119.840 120.500 -0.055 0.000 2.052 905 R HA -0.013 4.326 4.340 -0.001 0.000 0.226 905 R C 1.931 178.202 176.300 -0.048 0.000 1.145 905 R CA 1.994 58.065 56.100 -0.049 0.000 0.952 905 R CB -1.291 28.980 30.300 -0.049 0.000 0.847 905 R HN 0.057 nan 8.270 nan 0.000 0.431 906 T N 2.609 117.132 114.554 -0.051 0.000 2.833 906 T HA -0.137 4.212 4.350 -0.001 0.000 0.269 906 T C 1.724 176.392 174.700 -0.054 0.000 1.054 906 T CA 1.137 63.207 62.100 -0.050 0.000 1.135 906 T CB -0.219 68.618 68.868 -0.051 0.000 0.869 906 T HN 0.113 nan 8.240 nan 0.000 0.466 907 L N 1.609 122.798 121.223 -0.057 0.000 1.994 907 L HA 0.075 4.414 4.340 -0.001 0.000 0.208 907 L C 2.618 179.447 176.870 -0.068 0.000 1.071 907 L CA 2.046 56.848 54.840 -0.065 0.000 0.745 907 L CB -1.064 40.958 42.059 -0.061 0.000 0.892 907 L HN 0.206 nan 8.230 nan 0.000 0.431 908 A N -1.179 121.607 122.820 -0.057 0.000 2.019 908 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 908 A C 2.210 179.764 177.584 -0.050 0.000 1.164 908 A CA 1.649 53.654 52.037 -0.053 0.000 0.644 908 A CB -0.632 18.343 19.000 -0.042 0.000 0.805 908 A HN 0.574 nan 8.150 nan 0.000 0.449 909 E N 0.581 120.753 120.200 -0.048 0.000 2.072 909 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 909 E C 1.705 178.277 176.600 -0.047 0.000 0.985 909 E CA 1.447 57.821 56.400 -0.043 0.000 0.801 909 E CB -0.163 29.513 29.700 -0.041 0.000 0.750 909 E HN 0.548 nan 8.360 nan 0.000 0.452 910 N N -0.050 118.616 118.700 -0.055 0.000 2.309 910 N HA -0.091 4.649 4.740 -0.001 0.000 0.182 910 N C 1.273 176.740 175.510 -0.071 0.000 1.018 910 N CA 1.141 54.155 53.050 -0.061 0.000 0.876 910 N CB -0.253 38.194 38.487 -0.067 0.000 0.972 910 N HN 0.246 nan 8.380 nan 0.000 0.434 911 A N -0.076 122.696 122.820 -0.079 0.000 2.119 911 A HA 0.315 4.634 4.320 -0.001 0.000 0.216 911 A C 1.482 179.030 177.584 -0.060 0.000 1.152 911 A CA 1.034 53.019 52.037 -0.086 0.000 0.708 911 A CB -0.396 18.547 19.000 -0.096 0.000 0.805 911 A HN 0.309 nan 8.150 nan 0.000 0.460 912 G N -1.276 107.495 108.800 -0.048 0.000 2.149 912 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.235 912 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.235 912 G C -0.033 174.849 174.900 -0.030 0.000 1.018 912 G CA 0.341 45.420 45.100 -0.036 0.000 0.728 912 G HN 0.443 nan 8.290 nan 0.000 0.508 913 L N -0.214 120.989 121.223 -0.033 0.000 2.387 913 L HA 0.504 4.844 4.340 -0.001 0.000 0.266 913 L C 0.539 177.394 176.870 -0.024 0.000 1.059 913 L CA -1.116 53.708 54.840 -0.027 0.000 0.801 913 L CB 0.781 42.823 42.059 -0.029 0.000 1.223 913 L HN 0.100 nan 8.230 nan 0.000 0.456 914 D N 0.799 121.187 120.400 -0.019 0.000 2.363 914 D HA 0.086 4.725 4.640 -0.001 0.000 0.263 914 D C 0.747 177.034 176.300 -0.021 0.000 1.258 914 D CA 0.171 54.160 54.000 -0.018 0.000 0.907 914 D CB 1.744 42.535 40.800 -0.014 0.000 1.107 914 D HN 0.629 nan 8.370 nan 0.000 0.495 915 A N 5.316 128.123 122.820 -0.023 0.000 1.940 915 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 915 A C 2.071 179.640 177.584 -0.024 0.000 1.176 915 A CA 0.944 52.965 52.037 -0.026 0.000 0.631 915 A CB -0.179 18.805 19.000 -0.027 0.000 0.814 915 A HN 0.698 nan 8.150 nan 0.000 0.446 916 I N -0.707 119.851 120.570 -0.020 0.000 2.296 916 I HA -0.119 4.050 4.170 -0.001 0.000 0.242 916 I C 2.436 178.544 176.117 -0.015 0.000 1.087 916 I CA 1.584 62.873 61.300 -0.018 0.000 1.393 916 I CB -1.525 36.467 38.000 -0.015 0.000 1.093 916 I HN 0.563 nan 8.210 nan 0.000 0.421 917 E N 1.255 121.447 120.200 -0.013 0.000 2.077 917 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 917 E C 2.326 178.920 176.600 -0.010 0.000 0.989 917 E CA 1.160 57.554 56.400 -0.010 0.000 0.800 917 E CB 0.178 29.873 29.700 -0.008 0.000 0.746 917 E HN 0.209 nan 8.360 nan 0.000 0.452 918 I N 0.876 121.438 120.570 -0.013 0.000 2.127 918 I HA -0.273 3.897 4.170 -0.001 0.000 0.241 918 I C 2.415 178.524 176.117 -0.014 0.000 1.075 918 I CA 1.012 62.304 61.300 -0.013 0.000 1.334 918 I CB -0.982 37.007 38.000 -0.019 0.000 1.040 918 I HN 0.275 nan 8.210 nan 0.000 0.405 919 L N 0.010 121.221 121.223 -0.020 0.000 2.131 919 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 919 L C 2.541 179.399 176.870 -0.019 0.000 1.092 919 L CA 1.254 56.079 54.840 -0.025 0.000 0.759 919 L CB -0.952 41.088 42.059 -0.031 0.000 0.903 919 L HN 0.004 nan 8.230 nan 0.000 0.435 920 V N -1.156 118.751 119.914 -0.013 0.000 2.323 920 V HA -0.237 3.883 4.120 -0.001 0.000 0.244 920 V C 2.487 178.582 176.094 0.001 0.000 1.041 920 V CA 1.376 63.673 62.300 -0.006 0.000 1.025 920 V CB -0.391 31.429 31.823 -0.005 0.000 0.656 920 V HN 0.300 nan 8.190 nan 0.000 0.451 921 K N -0.184 120.217 120.400 0.001 0.000 2.155 921 K HA -0.030 4.290 4.320 -0.001 0.000 0.203 921 K C 1.864 178.474 176.600 0.015 0.000 1.052 921 K CA 0.853 57.145 56.287 0.007 0.000 0.948 921 K CB -0.439 32.064 32.500 0.005 0.000 0.728 921 K HN 0.313 nan 8.250 nan 0.000 0.448 922 V N 0.507 120.428 119.914 0.012 0.000 2.346 922 V HA -0.156 3.963 4.120 -0.001 0.000 0.244 922 V C 2.065 178.185 176.094 0.043 0.000 1.037 922 V CA 1.530 63.844 62.300 0.023 0.000 1.029 922 V CB -0.296 31.528 31.823 0.002 0.000 0.663 922 V HN 0.224 nan 8.190 nan 0.000 0.454 923 R N 0.151 120.661 120.500 0.017 0.000 2.115 923 R HA -0.055 4.285 4.340 -0.001 0.000 0.230 923 R C 2.390 178.727 176.300 0.061 0.000 1.111 923 R CA 1.323 57.438 56.100 0.024 0.000 0.976 923 R CB -0.491 29.802 30.300 -0.013 0.000 0.870 923 R HN 0.534 nan 8.270 nan 0.000 0.445 924 A N 1.272 124.116 122.820 0.039 0.000 1.873 924 A HA -0.064 4.255 4.320 -0.001 0.000 0.215 924 A C 2.364 179.972 177.584 0.040 0.000 1.186 924 A CA 1.553 53.610 52.037 0.034 0.000 0.616 924 A CB -0.610 18.401 19.000 0.019 0.000 0.823 924 A HN 0.365 nan 8.150 nan 0.000 0.442 925 A N -1.072 121.775 122.820 0.045 0.000 1.933 925 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 925 A C 2.005 179.616 177.584 0.044 0.000 1.175 925 A CA 2.070 54.130 52.037 0.037 0.000 0.628 925 A CB -0.855 18.166 19.000 0.036 0.000 0.814 925 A HN 0.781 nan 8.150 nan 0.000 0.444 926 H N -0.208 118.858 119.070 -0.007 0.000 2.326 926 H HA 0.055 4.610 4.556 -0.001 0.000 0.301 926 H C 2.216 177.539 175.328 -0.008 0.000 1.081 926 H CA 1.968 58.011 56.048 -0.008 0.000 1.334 926 H CB -0.197 29.558 29.762 -0.012 0.000 1.385 926 H HN 0.388 nan 8.280 nan 0.000 0.504 927 A N -0.639 122.243 122.820 0.104 0.000 1.908 927 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 927 A C 2.568 180.141 177.584 -0.019 0.000 1.181 927 A CA 2.059 54.128 52.037 0.053 0.000 0.627 927 A CB -1.063 17.974 19.000 0.063 0.000 0.818 927 A HN 0.514 nan 8.150 nan 0.000 0.445 928 S N -0.638 115.051 115.700 -0.019 0.000 2.341 928 S HA -0.081 4.388 4.470 -0.001 0.000 0.216 928 S C 1.876 176.447 174.600 -0.048 0.000 1.034 928 S CA 1.060 59.245 58.200 -0.025 0.000 0.964 928 S CB -0.398 62.796 63.200 -0.011 0.000 0.882 928 S HN 0.597 nan 8.310 nan 0.000 0.469 929 N N 1.087 119.752 118.700 -0.058 0.000 2.354 929 N HA 0.231 4.970 4.740 -0.001 0.000 0.179 929 N C 1.065 176.509 175.510 -0.109 0.000 1.021 929 N CA 1.019 54.030 53.050 -0.065 0.000 0.887 929 N CB -0.135 38.325 38.487 -0.044 0.000 0.974 929 N HN 0.623 nan 8.380 nan 0.000 0.437 930 G N 0.668 109.344 108.800 -0.206 0.000 2.498 930 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.651 930 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.651 930 G C 0.145 174.785 174.900 -0.433 0.000 1.284 930 G CA 0.043 44.960 45.100 -0.304 0.000 0.950 930 G HN 0.349 nan 8.290 nan 0.000 0.511 931 N N -0.309 118.190 118.700 -0.335 0.000 2.446 931 N HA 0.003 4.743 4.740 -0.001 0.000 0.179 931 N C 1.592 177.098 175.510 -0.006 0.000 1.054 931 N CA 1.610 54.600 53.050 -0.101 0.000 0.905 931 N CB -0.076 38.455 38.487 0.073 0.000 0.973 931 N HN 0.883 nan 8.380 nan 0.000 0.448 932 K N -1.002 119.375 120.400 -0.037 0.000 2.374 932 K HA 0.266 4.585 4.320 -0.001 0.000 0.196 932 K C -0.321 176.272 176.600 -0.013 0.000 1.023 932 K CA -0.015 56.265 56.287 -0.012 0.000 1.103 932 K CB 0.079 32.571 32.500 -0.015 0.000 0.848 932 K HN 0.118 nan 8.250 nan 0.000 0.528 933 C N 1.523 120.806 119.300 -0.027 0.000 3.114 933 C HA 0.689 5.148 4.460 -0.001 0.000 0.215 933 C C 0.142 175.132 174.990 -0.001 0.000 1.759 933 C CA -0.706 58.302 59.018 -0.017 0.000 1.455 933 C CB -0.571 27.148 27.740 -0.035 0.000 2.528 933 C HN 0.598 nan 8.230 nan 0.000 0.511 934 A N 0.077 122.917 122.820 0.034 0.000 2.593 934 A HA 1.004 5.324 4.320 -0.001 0.000 0.304 934 A C -0.076 177.553 177.584 0.075 0.000 1.233 934 A CA 0.222 52.306 52.037 0.079 0.000 0.661 934 A CB 0.342 19.451 19.000 0.183 0.000 1.338 934 A HN 1.915 nan 8.150 nan 0.000 0.495 935 G N -2.105 106.741 108.800 0.077 0.000 2.699 935 G HA2 0.414 4.373 3.960 -0.001 0.000 0.686 935 G HA3 0.414 4.373 3.960 -0.001 0.000 0.686 935 G C -0.982 173.940 174.900 0.038 0.000 1.301 935 G CA -0.096 45.032 45.100 0.048 0.000 0.816 935 G HN 2.064 nan 8.290 nan 0.000 0.595 936 L N 0.539 121.777 121.223 0.026 0.000 2.289 936 L HA 0.773 5.113 4.340 -0.001 0.000 0.285 936 L C 0.182 177.075 176.870 0.039 0.000 1.049 936 L CA -1.027 53.826 54.840 0.021 0.000 0.804 936 L CB 1.602 43.660 42.059 -0.002 0.000 1.195 936 L HN 0.721 nan 8.230 nan 0.000 0.428 937 N N 2.996 121.729 118.700 0.054 0.000 2.527 937 N HA 0.212 4.951 4.740 -0.001 0.000 0.236 937 N C 0.766 176.315 175.510 0.064 0.000 0.999 937 N CA -0.222 52.891 53.050 0.105 0.000 0.935 937 N CB 1.055 39.616 38.487 0.124 0.000 1.132 937 N HN 0.525 nan 8.380 nan 0.000 0.511 938 V N 1.324 121.229 119.914 -0.014 0.000 2.970 938 V HA 0.022 4.142 4.120 -0.001 0.000 0.260 938 V C 1.344 177.340 176.094 -0.164 0.000 1.100 938 V CA 1.123 63.342 62.300 -0.134 0.000 1.122 938 V CB -1.154 30.518 31.823 -0.251 0.000 0.721 938 V HN 0.398 nan 8.190 nan 0.000 0.483 939 F N 2.701 122.648 119.950 -0.004 0.000 2.234 939 F HA -0.020 4.507 4.527 -0.001 0.000 0.299 939 F C 2.594 178.393 175.800 -0.003 0.000 1.087 939 F CA 1.868 59.866 58.000 -0.003 0.000 1.340 939 F CB -0.567 38.432 39.000 -0.002 0.000 1.031 939 F HN 0.424 nan 8.300 nan 0.000 0.500 940 T N -4.561 110.093 114.554 0.167 0.000 2.985 940 T HA 0.415 4.764 4.350 -0.001 0.000 0.254 940 T C 1.428 176.156 174.700 0.046 0.000 1.021 940 T CA 0.370 62.523 62.100 0.089 0.000 0.957 940 T CB 0.346 69.259 68.868 0.075 0.000 1.047 940 T HN 0.343 nan 8.240 nan 0.000 0.511 941 G N 1.171 109.990 108.800 0.032 0.000 2.291 941 G HA2 0.288 4.248 3.960 -0.001 0.000 0.271 941 G HA3 0.288 4.248 3.960 -0.001 0.000 0.271 941 G C 0.026 174.932 174.900 0.010 0.000 1.099 941 G CA -0.219 44.884 45.100 0.005 0.000 0.919 941 G HN 1.401 nan 8.290 nan 0.000 0.496 942 A N -1.349 121.483 122.820 0.019 0.000 2.604 942 A HA 0.883 5.203 4.320 -0.001 0.000 0.295 942 A C 0.028 177.626 177.584 0.023 0.000 1.067 942 A CA 0.096 52.144 52.037 0.018 0.000 0.683 942 A CB 1.673 20.686 19.000 0.021 0.000 1.281 942 A HN 1.783 nan 8.150 nan 0.000 0.407 943 V N 1.861 121.786 119.914 0.019 0.000 2.599 943 V HA 0.428 4.547 4.120 -0.001 0.000 0.300 943 V C -0.223 175.887 176.094 0.027 0.000 1.034 943 V CA 0.862 63.176 62.300 0.023 0.000 1.115 943 V CB 0.539 32.375 31.823 0.021 0.000 0.934 943 V HN 0.873 nan 8.190 nan 0.000 0.485 944 E N 3.677 123.897 120.200 0.033 0.000 2.458 944 E HA 0.315 4.664 4.350 -0.001 0.000 0.278 944 E C -1.426 175.193 176.600 0.031 0.000 1.004 944 E CA -0.716 55.703 56.400 0.032 0.000 0.823 944 E CB 1.473 31.197 29.700 0.039 0.000 1.396 944 E HN 0.715 nan 8.360 nan 0.000 0.463 945 D N 1.923 122.337 120.400 0.024 0.000 2.393 945 D HA 0.099 4.738 4.640 -0.001 0.000 0.232 945 D C 0.927 177.241 176.300 0.023 0.000 1.192 945 D CA -0.153 53.859 54.000 0.020 0.000 0.882 945 D CB 0.543 41.349 40.800 0.010 0.000 1.038 945 D HN 0.214 nan 8.370 nan 0.000 0.499 946 M N 2.191 121.810 119.600 0.031 0.000 2.159 946 M HA -0.144 4.335 4.480 -0.001 0.000 0.263 946 M C 2.347 178.660 176.300 0.023 0.000 1.063 946 M CA 0.640 55.960 55.300 0.034 0.000 1.110 946 M CB -1.181 31.444 32.600 0.042 0.000 1.374 946 M HN 0.535 nan 8.290 nan 0.000 0.411 947 C N 0.713 120.024 119.300 0.019 0.000 2.453 947 C HA -0.164 4.295 4.460 -0.001 0.000 0.277 947 C C 2.688 177.682 174.990 0.005 0.000 1.262 947 C CA 1.359 60.384 59.018 0.012 0.000 1.718 947 C CB -0.915 26.832 27.740 0.010 0.000 2.031 947 C HN 0.638 nan 8.230 nan 0.000 0.480 948 E N 0.158 120.361 120.200 0.004 0.000 2.118 948 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 948 E C 1.390 177.988 176.600 -0.004 0.000 0.992 948 E CA 1.350 57.750 56.400 -0.000 0.000 0.804 948 E CB -0.208 29.492 29.700 0.000 0.000 0.741 948 E HN 0.661 nan 8.360 nan 0.000 0.458 949 N N -0.416 118.283 118.700 -0.002 0.000 2.461 949 N HA -0.004 4.735 4.740 -0.001 0.000 0.188 949 N C 0.768 176.266 175.510 -0.020 0.000 1.134 949 N CA 0.935 53.977 53.050 -0.013 0.000 0.878 949 N CB 0.907 39.390 38.487 -0.007 0.000 0.972 949 N HN 0.343 nan 8.380 nan 0.000 0.456 950 G N 0.458 109.252 108.800 -0.010 0.000 2.147 950 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 950 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 950 G C -0.001 174.896 174.900 -0.004 0.000 1.005 950 G CA 0.049 45.142 45.100 -0.010 0.000 0.713 950 G HN 0.197 nan 8.290 nan 0.000 0.515 951 V N 1.480 121.398 119.914 0.007 0.000 2.222 951 V HA 0.503 4.623 4.120 -0.001 0.000 0.253 951 V C 0.829 176.939 176.094 0.026 0.000 1.210 951 V CA 0.158 62.472 62.300 0.024 0.000 1.079 951 V CB 0.410 32.261 31.823 0.047 0.000 1.265 951 V HN 1.047 nan 8.190 nan 0.000 0.494 952 V N 1.926 121.852 119.914 0.020 0.000 3.130 952 V HA 0.939 5.058 4.120 -0.001 0.000 0.310 952 V C -0.760 175.345 176.094 0.018 0.000 1.158 952 V CA -0.909 61.402 62.300 0.019 0.000 1.029 952 V CB 2.437 34.268 31.823 0.014 0.000 1.057 952 V HN 0.777 nan 8.190 nan 0.000 0.436 953 E N 0.954 121.164 120.200 0.017 0.000 2.390 953 E HA 0.658 5.007 4.350 -0.001 0.000 0.277 953 E C -3.278 173.330 176.600 0.013 0.000 0.939 953 E CA -2.370 54.039 56.400 0.015 0.000 0.769 953 E CB 2.336 32.045 29.700 0.015 0.000 1.251 953 E HN 0.453 nan 8.360 nan 0.000 0.450 954 P HA -0.046 nan 4.420 nan 0.000 0.266 954 P C 0.519 177.827 177.300 0.013 0.000 1.195 954 P CA -0.339 62.768 63.100 0.012 0.000 0.768 954 P CB 0.507 32.213 31.700 0.010 0.000 0.838 955 L N 4.472 125.704 121.223 0.014 0.000 2.012 955 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 955 L C 2.418 179.298 176.870 0.016 0.000 1.073 955 L CA 1.866 56.716 54.840 0.016 0.000 0.748 955 L CB -0.835 41.234 42.059 0.017 0.000 0.891 955 L HN 0.311 nan 8.230 nan 0.000 0.431 956 R N -0.967 119.541 120.500 0.014 0.000 2.133 956 R HA -0.187 4.153 4.340 -0.001 0.000 0.247 956 R C 2.030 178.337 176.300 0.012 0.000 1.151 956 R CA 2.134 58.242 56.100 0.013 0.000 0.971 956 R CB -0.406 29.901 30.300 0.012 0.000 0.866 956 R HN 0.395 nan 8.270 nan 0.000 0.447 957 V N 1.043 120.963 119.914 0.011 0.000 2.295 957 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 957 V C 2.333 178.431 176.094 0.007 0.000 1.049 957 V CA 2.084 64.389 62.300 0.008 0.000 1.024 957 V CB -0.483 31.345 31.823 0.008 0.000 0.648 957 V HN 0.283 nan 8.190 nan 0.000 0.447 958 K N 0.790 121.195 120.400 0.009 0.000 2.103 958 K HA -0.123 4.197 4.320 -0.001 0.000 0.204 958 K C 2.224 178.832 176.600 0.014 0.000 1.052 958 K CA 1.931 58.222 56.287 0.008 0.000 0.945 958 K CB -0.668 31.838 32.500 0.011 0.000 0.722 958 K HN 0.678 nan 8.250 nan 0.000 0.443 959 T N -2.128 112.438 114.554 0.019 0.000 2.942 959 T HA -0.072 4.278 4.350 -0.001 0.000 0.265 959 T C 1.875 176.591 174.700 0.026 0.000 1.062 959 T CA 0.817 62.933 62.100 0.027 0.000 1.139 959 T CB -0.153 68.731 68.868 0.027 0.000 0.883 959 T HN 0.104 nan 8.240 nan 0.000 0.468 960 Q N 1.901 121.712 119.800 0.019 0.000 2.123 960 Q HA 0.259 4.598 4.340 -0.001 0.000 0.199 960 Q C 2.417 178.427 176.000 0.015 0.000 0.966 960 Q CA 1.725 57.538 55.803 0.017 0.000 0.845 960 Q CB -0.995 27.750 28.738 0.013 0.000 0.907 960 Q HN 0.626 nan 8.270 nan 0.000 0.439 961 A N 0.579 123.404 122.820 0.009 0.000 1.908 961 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 961 A C 1.946 179.532 177.584 0.003 0.000 1.181 961 A CA 1.646 53.683 52.037 -0.001 0.000 0.627 961 A CB -0.721 18.272 19.000 -0.012 0.000 0.818 961 A HN 0.453 nan 8.150 nan 0.000 0.445 962 I N -0.472 120.110 120.570 0.019 0.000 2.202 962 I HA -0.206 3.963 4.170 -0.001 0.000 0.242 962 I C 2.646 178.806 176.117 0.072 0.000 1.091 962 I CA 1.937 63.268 61.300 0.051 0.000 1.368 962 I CB -1.434 36.615 38.000 0.082 0.000 1.058 962 I HN 0.471 nan 8.210 nan 0.000 0.410 963 Q N 1.263 121.096 119.800 0.055 0.000 2.030 963 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 963 Q C 2.412 178.441 176.000 0.048 0.000 0.986 963 Q CA 2.594 58.428 55.803 0.052 0.000 0.843 963 Q CB -0.301 28.459 28.738 0.037 0.000 0.904 963 Q HN 0.345 nan 8.270 nan 0.000 0.420 964 S N 0.013 115.734 115.700 0.034 0.000 2.368 964 S HA -0.097 4.372 4.470 -0.001 0.000 0.225 964 S C 1.902 176.520 174.600 0.031 0.000 1.030 964 S CA 0.972 59.189 58.200 0.028 0.000 0.999 964 S CB -0.631 62.580 63.200 0.017 0.000 0.844 964 S HN 0.595 nan 8.310 nan 0.000 0.459 965 A N 1.568 124.403 122.820 0.025 0.000 1.877 965 A HA 0.126 4.446 4.320 -0.001 0.000 0.216 965 A C 2.353 179.968 177.584 0.053 0.000 1.186 965 A CA 1.710 53.756 52.037 0.016 0.000 0.620 965 A CB -1.108 17.877 19.000 -0.025 0.000 0.822 965 A HN 0.508 nan 8.150 nan 0.000 0.443 966 A N 0.736 123.614 122.820 0.097 0.000 1.898 966 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 966 A C 1.996 179.660 177.584 0.133 0.000 1.181 966 A CA 1.739 53.877 52.037 0.168 0.000 0.620 966 A CB -0.639 18.485 19.000 0.206 0.000 0.819 966 A HN 0.786 nan 8.150 nan 0.000 0.442 967 E N 0.285 120.540 120.200 0.091 0.000 2.208 967 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 967 E C 1.819 178.458 176.600 0.065 0.000 0.988 967 E CA 1.395 57.838 56.400 0.072 0.000 0.828 967 E CB -0.344 29.387 29.700 0.052 0.000 0.763 967 E HN 0.633 nan 8.360 nan 0.000 0.478 968 S N 0.288 116.025 115.700 0.061 0.000 2.446 968 S HA -0.038 4.432 4.470 -0.001 0.000 0.225 968 S C 2.005 176.642 174.600 0.063 0.000 1.016 968 S CA 0.948 59.178 58.200 0.050 0.000 0.943 968 S CB -0.277 62.944 63.200 0.035 0.000 0.786 968 S HN 0.205 nan 8.310 nan 0.000 0.508 969 T N 2.294 116.901 114.554 0.089 0.000 2.737 969 T HA -0.044 4.306 4.350 -0.001 0.000 0.265 969 T C 1.737 176.519 174.700 0.136 0.000 1.038 969 T CA 1.572 63.749 62.100 0.128 0.000 1.144 969 T CB -0.385 68.601 68.868 0.196 0.000 0.866 969 T HN 0.661 nan 8.240 nan 0.000 0.434 970 E N 0.718 121.000 120.200 0.137 0.000 2.110 970 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 970 E C 2.231 178.869 176.600 0.063 0.000 0.988 970 E CA 0.852 57.312 56.400 0.099 0.000 0.804 970 E CB -0.211 29.545 29.700 0.092 0.000 0.745 970 E HN 0.451 nan 8.360 nan 0.000 0.458 971 M N 0.686 120.322 119.600 0.059 0.000 2.073 971 M HA -0.234 4.245 4.480 -0.001 0.000 0.258 971 M C 2.359 178.683 176.300 0.040 0.000 1.070 971 M CA 1.600 56.926 55.300 0.044 0.000 1.103 971 M CB -0.202 32.422 32.600 0.041 0.000 1.321 971 M HN 0.338 nan 8.290 nan 0.000 0.405 972 L N 0.527 121.776 121.223 0.045 0.000 2.012 972 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 972 L C 2.249 179.137 176.870 0.031 0.000 1.073 972 L CA 1.453 56.315 54.840 0.038 0.000 0.748 972 L CB -0.323 41.758 42.059 0.038 0.000 0.891 972 L HN 0.419 nan 8.230 nan 0.000 0.431 973 L N -0.685 120.558 121.223 0.034 0.000 2.131 973 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 973 L C 2.684 179.561 176.870 0.011 0.000 1.092 973 L CA 1.130 55.979 54.840 0.015 0.000 0.759 973 L CB -0.469 41.598 42.059 0.013 0.000 0.903 973 L HN 0.246 nan 8.230 nan 0.000 0.435 974 R N -0.201 120.312 120.500 0.022 0.000 2.189 974 R HA 0.061 4.400 4.340 -0.001 0.000 0.218 974 R C 0.435 176.747 176.300 0.019 0.000 1.074 974 R CA 0.528 56.640 56.100 0.021 0.000 0.991 974 R CB -0.072 30.243 30.300 0.025 0.000 0.883 974 R HN 0.278 nan 8.270 nan 0.000 0.457 975 I N 0.834 121.417 120.570 0.020 0.000 2.331 975 I HA 0.040 4.209 4.170 -0.001 0.000 0.292 975 I C 0.264 176.392 176.117 0.017 0.000 0.998 975 I CA 0.023 61.336 61.300 0.021 0.000 1.267 975 I CB 1.520 39.537 38.000 0.028 0.000 1.386 975 I HN -0.117 nan 8.210 nan 0.000 0.476 976 D N 3.375 123.785 120.400 0.016 0.000 2.539 976 D HA 0.110 4.750 4.640 -0.001 0.000 0.232 976 D C -0.798 175.513 176.300 0.019 0.000 1.256 976 D CA 0.238 54.245 54.000 0.011 0.000 0.810 976 D CB 0.514 41.315 40.800 0.002 0.000 1.090 976 D HN 0.432 nan 8.370 nan 0.000 0.519 977 D N 0.036 120.449 120.400 0.023 0.000 2.861 977 D HA 0.199 4.838 4.640 -0.001 0.000 0.216 977 D C -1.363 174.952 176.300 0.024 0.000 1.323 977 D CA -0.403 53.611 54.000 0.024 0.000 0.917 977 D CB 1.904 42.714 40.800 0.018 0.000 1.582 977 D HN -0.263 nan 8.370 nan 0.000 0.576 978 V N 5.178 125.109 119.914 0.028 0.000 2.347 978 V HA 0.477 4.596 4.120 -0.001 0.000 0.280 978 V C 0.409 176.510 176.094 0.010 0.000 1.021 978 V CA -0.551 61.761 62.300 0.021 0.000 0.847 978 V CB 1.274 33.114 31.823 0.028 0.000 0.990 978 V HN 0.477 nan 8.190 nan 0.000 0.444 979 I N 4.915 125.486 120.570 0.003 0.000 2.371 979 I HA 0.646 4.815 4.170 -0.001 0.000 0.282 979 I C 0.397 176.508 176.117 -0.009 0.000 1.031 979 I CA -0.209 61.090 61.300 -0.001 0.000 1.180 979 I CB 1.291 39.292 38.000 0.001 0.000 1.336 979 I HN 0.657 nan 8.210 nan 0.000 0.467 980 A N 4.867 127.679 122.820 -0.015 0.000 2.337 980 A HA 0.890 5.209 4.320 -0.001 0.000 0.329 980 A C 0.107 177.681 177.584 -0.017 0.000 1.146 980 A CA -0.500 51.524 52.037 -0.023 0.000 0.800 980 A CB 1.204 20.181 19.000 -0.039 0.000 1.220 980 A HN 0.718 nan 8.150 nan 0.000 0.472 981 A N 1.769 124.579 122.820 -0.016 0.000 2.313 981 A HA 0.547 4.867 4.320 -0.001 0.000 0.261 981 A C 0.414 177.989 177.584 -0.014 0.000 1.090 981 A CA -0.269 51.760 52.037 -0.013 0.000 0.807 981 A CB -0.176 18.818 19.000 -0.010 0.000 1.055 981 A HN 0.893 nan 8.150 nan 0.000 0.492 982 E N 0.000 120.193 120.200 -0.011 0.000 2.725 982 E HA 0.000 4.350 4.350 -0.001 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 -0.008 0.000 0.812 982 E HN 0.000 nan 8.360 nan 0.000 0.440