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 2gk1_1_B DATA FIRST_RESID 54 DATA SEQUENCE PALWPLPLSV KMTPNLLHLA PENFYISHSP NSTAGPScTL LEEAFRRYHG DATA SEQUENCE YIFGXXXXXX XXXXXXXXTQ VQQLLVSITL QSEcDAFPNI SSDESYTLLV DATA SEQUENCE KEPVAVLKAN RVWGALRGLE TFSQLVYQDS YGTFTINEST IIDSPRFSHR DATA SEQUENCE GILIDTSRHY LPVKIILKTL DAMAFNKFNV LHWHIVDDQS FPYQSITFPE DATA SEQUENCE LSNKGSYSLS HVYTPNDVRM VIEYARLRGI RVLPEFDTPG HTLSWGKGQK DATA SEQUENCE DLLTPcYSXX XXXDSFGPIN PTLNTTYSFL TTFFKEISEV FPDQFIHLGG DATA SEQUENCE DEVEFKcWES NPKIQDFMRQ KGFGTDFKKL ESFYIQKVLD IIATINKGSI DATA SEQUENCE VWQEVFDDKA KLAPGTIVEV WKDSAYPEEL SRVTASGFPV ILSAPWYLDL DATA SEQUENCE ISYGQDWRKY YKVEPLDFGG TQKQKQLFIG GEACLWGEYV DATNLTPRLW DATA SEQUENCE PRASAVGERL WSSKDVRDMD DAYDRLTRHR cRMVERGIAA QPLYAGYcN 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 54 P HA 0.000 nan 4.420 nan 0.000 0.216 54 P C 0.000 177.263 177.300 -0.061 0.000 1.155 54 P CA 0.000 63.070 63.100 -0.049 0.000 0.800 54 P CB 0.000 31.697 31.700 -0.005 0.000 0.726 55 A N -0.922 121.884 122.820 -0.023 0.000 2.405 55 A HA 0.215 4.536 4.320 0.000 0.000 0.220 55 A C -0.497 177.099 177.584 0.020 0.000 2.887 55 A CA -0.526 51.502 52.037 -0.016 0.000 1.579 55 A CB -1.146 17.828 19.000 -0.043 0.000 0.170 55 A HN 0.114 nan 8.150 nan 0.000 0.557 56 L N 1.042 122.275 121.223 0.018 0.000 2.462 56 L HA 0.305 4.646 4.340 0.000 0.000 0.272 56 L C 0.114 176.990 176.870 0.010 0.000 1.166 56 L CA 0.346 55.184 54.840 -0.002 0.000 0.880 56 L CB 0.434 42.488 42.059 -0.008 0.000 1.142 56 L HN 0.527 nan 8.230 nan 0.000 0.473 57 W N 6.488 127.570 121.300 -0.364 0.000 3.211 57 W HA 0.366 5.026 4.660 0.000 0.000 0.335 57 W C -2.788 173.448 176.519 -0.472 0.000 1.113 57 W CA -1.965 55.079 57.345 -0.501 0.000 1.235 57 W CB 2.368 31.282 29.460 -0.910 0.000 1.365 57 W HN 0.239 nan 8.180 nan 0.000 0.476 58 P HA 0.064 nan 4.420 nan 0.000 0.272 58 P C -0.367 176.668 177.300 -0.441 0.000 1.240 58 P CA -0.404 62.237 63.100 -0.764 0.000 0.791 58 P CB 0.824 32.174 31.700 -0.583 0.000 0.978 59 L N 3.987 124.987 121.223 -0.372 0.000 2.500 59 L HA 0.207 4.548 4.340 0.000 0.000 0.272 59 L C -2.158 174.710 176.870 -0.003 0.000 1.149 59 L CA -1.401 53.358 54.840 -0.135 0.000 0.897 59 L CB -0.680 41.322 42.059 -0.095 0.000 1.178 59 L HN 0.299 nan 8.230 nan 0.000 0.473 60 P HA -0.100 nan 4.420 nan 0.000 0.273 60 P C 0.437 177.816 177.300 0.132 0.000 1.258 60 P CA -0.286 62.919 63.100 0.174 0.000 0.802 60 P CB 0.450 32.227 31.700 0.128 0.000 1.040 61 L N -0.602 120.687 121.223 0.109 0.000 2.341 61 L HA 0.188 4.529 4.340 0.000 0.000 0.214 61 L C 0.405 177.280 176.870 0.009 0.000 1.115 61 L CA 1.524 56.383 54.840 0.030 0.000 0.820 61 L CB -0.343 41.700 42.059 -0.028 0.000 0.944 61 L HN 0.284 nan 8.230 nan 0.000 0.452 62 S N -0.899 114.807 115.700 0.011 0.000 2.689 62 S HA 0.586 5.057 4.470 0.000 0.000 0.274 62 S C -1.507 173.106 174.600 0.022 0.000 1.176 62 S CA -0.589 57.616 58.200 0.009 0.000 1.014 62 S CB 1.058 64.254 63.200 -0.006 0.000 1.071 62 S HN -0.172 nan 8.310 nan 0.000 0.478 63 V N 5.953 125.884 119.914 0.029 0.000 2.409 63 V HA 0.506 4.627 4.120 0.000 0.000 0.290 63 V C -0.663 175.451 176.094 0.033 0.000 1.017 63 V CA -0.607 61.716 62.300 0.038 0.000 0.841 63 V CB 1.635 33.482 31.823 0.041 0.000 1.003 63 V HN 0.812 nan 8.190 nan 0.000 0.426 64 K N 5.882 126.303 120.400 0.035 0.000 2.449 64 K HA 0.635 4.955 4.320 0.000 0.000 0.257 64 K C -0.722 175.900 176.600 0.036 0.000 0.989 64 K CA -0.458 55.848 56.287 0.031 0.000 0.916 64 K CB 1.484 34.000 32.500 0.026 0.000 1.136 64 K HN 0.466 nan 8.250 nan 0.000 0.439 65 M N 1.863 121.483 119.600 0.033 0.000 2.537 65 M HA 0.293 4.774 4.480 0.000 0.000 0.324 65 M C 0.451 176.769 176.300 0.030 0.000 1.187 65 M CA -0.526 54.796 55.300 0.035 0.000 0.993 65 M CB 1.780 34.401 32.600 0.035 0.000 1.666 65 M HN 0.634 nan 8.290 nan 0.000 0.461 66 T N -1.641 112.932 114.554 0.031 0.000 2.932 66 T HA 0.607 4.958 4.350 0.000 0.000 0.289 66 T C -2.259 172.457 174.700 0.027 0.000 1.039 66 T CA -1.543 60.572 62.100 0.026 0.000 1.024 66 T CB 1.664 70.545 68.868 0.022 0.000 1.090 66 T HN 0.369 nan 8.240 nan 0.000 0.496 67 P HA 0.105 nan 4.420 nan 0.000 0.229 67 P C 0.180 177.494 177.300 0.023 0.000 1.160 67 P CA 0.199 63.314 63.100 0.026 0.000 0.777 67 P CB -0.096 31.617 31.700 0.022 0.000 0.814 68 N N 0.610 119.318 118.700 0.013 0.000 2.468 68 N HA 0.064 4.804 4.740 0.000 0.000 0.265 68 N C -0.394 175.102 175.510 -0.022 0.000 1.199 68 N CA 0.331 53.380 53.050 -0.003 0.000 0.928 68 N CB -0.015 38.469 38.487 -0.004 0.000 1.059 68 N HN -0.081 nan 8.380 nan 0.000 0.467 69 L N 3.180 124.368 121.223 -0.058 0.000 2.399 69 L HA 0.522 4.862 4.340 0.000 0.000 0.265 69 L C -0.115 176.603 176.870 -0.253 0.000 1.089 69 L CA -0.854 53.906 54.840 -0.133 0.000 0.802 69 L CB 0.824 42.803 42.059 -0.133 0.000 1.180 69 L HN 0.346 nan 8.230 nan 0.000 0.454 70 L N 0.831 121.865 121.223 -0.315 0.000 2.422 70 L HA 0.447 4.787 4.340 0.000 0.000 0.264 70 L C -1.085 175.564 176.870 -0.368 0.000 0.984 70 L CA -0.649 53.993 54.840 -0.330 0.000 0.819 70 L CB 2.381 44.369 42.059 -0.119 0.000 1.330 70 L HN 0.561 nan 8.230 nan 0.000 0.410 71 H N 2.110 121.166 119.070 -0.024 0.000 2.472 71 H HA 0.665 5.222 4.556 0.000 0.000 0.338 71 H C -1.053 174.275 175.328 0.000 0.000 1.133 71 H CA -0.775 55.257 56.048 -0.028 0.000 1.216 71 H CB 1.901 31.660 29.762 -0.006 0.000 1.497 71 H HN 0.215 nan 8.280 nan 0.000 0.500 72 L N 1.513 122.813 121.223 0.128 0.000 2.330 72 L HA 0.681 5.021 4.340 0.000 0.000 0.271 72 L C -0.205 176.757 176.870 0.153 0.000 1.013 72 L CA -0.681 54.195 54.840 0.060 0.000 0.816 72 L CB 1.704 43.646 42.059 -0.195 0.000 1.287 72 L HN 0.750 nan 8.230 nan 0.000 0.435 73 A N 2.049 124.936 122.820 0.111 0.000 2.310 73 A HA 0.739 5.060 4.320 0.000 0.000 0.304 73 A C -2.176 175.282 177.584 -0.209 0.000 1.231 73 A CA -1.348 50.704 52.037 0.025 0.000 0.799 73 A CB 0.895 19.914 19.000 0.032 0.000 1.162 73 A HN 0.562 nan 8.150 nan 0.000 0.486 74 P HA -0.216 nan 4.420 nan 0.000 0.213 74 P C 0.588 177.594 177.300 -0.490 0.000 1.176 74 P CA 1.402 63.868 63.100 -1.058 0.000 0.919 74 P CB 0.196 31.482 31.700 -0.689 0.000 0.791 75 E N -1.237 118.801 120.200 -0.270 0.000 2.322 75 E HA -0.001 4.349 4.350 0.000 0.000 0.195 75 E C 0.353 176.849 176.600 -0.174 0.000 1.198 75 E CA 0.232 56.527 56.400 -0.175 0.000 1.132 75 E CB -0.803 28.841 29.700 -0.094 0.000 1.213 75 E HN 0.215 nan 8.360 nan 0.000 0.450 76 N N -0.218 118.314 118.700 -0.280 0.000 1.926 76 N HA -0.020 4.720 4.740 0.000 0.000 0.221 76 N C -1.315 173.903 175.510 -0.487 0.000 1.410 76 N CA -0.222 52.642 53.050 -0.309 0.000 0.711 76 N CB 0.277 38.724 38.487 -0.065 0.000 1.126 76 N HN 0.008 nan 8.380 nan 0.000 0.546 77 F N 1.592 121.153 119.950 -0.648 0.000 2.443 77 F HA 0.572 5.099 4.527 0.000 0.000 0.335 77 F C -1.372 174.106 175.800 -0.537 0.000 1.104 77 F CA -0.553 57.219 58.000 -0.381 0.000 1.013 77 F CB 0.615 39.635 39.000 0.032 0.000 1.136 77 F HN -0.086 nan 8.300 nan 0.000 0.470 78 Y N 6.390 126.290 120.300 -0.667 0.000 2.346 78 Y HA 0.489 5.039 4.550 0.000 0.000 0.332 78 Y C -0.442 175.044 175.900 -0.690 0.000 0.985 78 Y CA -1.227 56.563 58.100 -0.518 0.000 1.112 78 Y CB 1.412 39.693 38.460 -0.299 0.000 1.170 78 Y HN 0.349 nan 8.280 nan 0.000 0.447 79 I N 4.498 124.835 120.570 -0.389 0.000 2.307 79 I HA 0.459 4.630 4.170 0.000 0.000 0.289 79 I C -0.362 175.452 176.117 -0.505 0.000 1.021 79 I CA -0.193 60.760 61.300 -0.579 0.000 1.224 79 I CB 0.616 38.198 38.000 -0.697 0.000 1.376 79 I HN 0.661 nan 8.210 nan 0.000 0.470 80 S N 3.296 118.760 115.700 -0.394 0.000 2.618 80 S HA 0.551 5.021 4.470 0.000 0.000 0.277 80 S C -0.782 173.767 174.600 -0.085 0.000 1.138 80 S CA -1.107 57.032 58.200 -0.102 0.000 0.844 80 S CB 1.295 64.479 63.200 -0.027 0.000 1.127 80 S HN 0.528 nan 8.310 nan 0.000 0.474 81 H N 0.856 120.042 119.070 0.193 0.000 2.732 81 H HA 0.522 5.078 4.556 0.000 0.000 0.351 81 H C 0.678 176.022 175.328 0.026 0.000 1.090 81 H CA 0.313 56.432 56.048 0.119 0.000 1.431 81 H CB 0.555 30.365 29.762 0.081 0.000 1.447 81 H HN 0.639 nan 8.280 nan 0.000 0.582 82 S N 2.520 118.293 115.700 0.121 0.000 2.562 82 S HA 0.015 4.486 4.470 0.000 0.000 0.281 82 S C -1.284 173.350 174.600 0.057 0.000 1.333 82 S CA -1.263 56.971 58.200 0.056 0.000 1.052 82 S CB 0.399 63.618 63.200 0.032 0.000 0.884 82 S HN 0.536 nan 8.310 nan 0.000 0.506 83 P HA -0.081 nan 4.420 nan 0.000 0.220 83 P C -0.089 177.214 177.300 0.004 0.000 1.144 83 P CA 1.031 64.137 63.100 0.011 0.000 0.800 83 P CB -0.231 31.469 31.700 0.000 0.000 0.772 84 N N -1.260 117.445 118.700 0.009 0.000 3.170 84 N HA 0.227 4.968 4.740 0.000 0.000 0.305 84 N C -0.774 174.742 175.510 0.009 0.000 1.499 84 N CA -0.375 52.678 53.050 0.004 0.000 1.110 84 N CB 0.389 38.877 38.487 0.003 0.000 1.390 84 N HN -0.196 nan 8.380 nan 0.000 0.508 85 S N 0.373 116.077 115.700 0.008 0.000 2.575 85 S HA 0.134 4.604 4.470 0.000 0.000 0.278 85 S C 0.801 175.389 174.600 -0.019 0.000 1.139 85 S CA -0.554 57.653 58.200 0.012 0.000 0.954 85 S CB 1.466 64.699 63.200 0.055 0.000 1.054 85 S HN 0.395 nan 8.310 nan 0.000 0.483 86 T N 1.730 116.270 114.554 -0.024 0.000 3.400 86 T HA 0.434 4.784 4.350 0.000 0.000 0.254 86 T C 0.395 175.049 174.700 -0.077 0.000 1.153 86 T CA 0.414 62.486 62.100 -0.046 0.000 1.012 86 T CB -0.543 68.304 68.868 -0.035 0.000 0.994 86 T HN 0.983 nan 8.240 nan 0.000 0.555 87 A N -0.472 122.293 122.820 -0.091 0.000 2.408 87 A HA 0.825 5.146 4.320 0.000 0.000 0.295 87 A C 0.173 177.540 177.584 -0.362 0.000 1.040 87 A CA -0.469 51.467 52.037 -0.167 0.000 0.707 87 A CB 1.547 20.480 19.000 -0.113 0.000 1.235 87 A HN 0.560 nan 8.150 nan 0.000 0.418 88 G N 0.532 109.013 108.800 -0.532 0.000 3.211 88 G HA2 0.650 4.611 3.960 0.000 0.000 0.262 88 G HA3 0.650 4.611 3.960 0.000 0.000 0.262 88 G C -2.364 172.026 174.900 -0.851 0.000 1.352 88 G CA -1.381 43.227 45.100 -0.820 0.000 1.004 88 G HN 0.298 nan 8.290 nan 0.000 0.559 89 P HA -0.049 nan 4.420 nan 0.000 0.229 89 P C 1.743 178.953 177.300 -0.150 0.000 1.150 89 P CA 1.697 64.692 63.100 -0.175 0.000 0.765 89 P CB 0.200 31.857 31.700 -0.071 0.000 0.783 90 S N -2.821 112.766 115.700 -0.187 0.000 2.496 90 S HA -0.046 4.424 4.470 0.000 0.000 0.224 90 S C 1.059 175.571 174.600 -0.146 0.000 0.996 90 S CA -0.183 57.934 58.200 -0.138 0.000 0.927 90 S CB -1.288 61.838 63.200 -0.122 0.000 0.774 90 S HN 0.162 nan 8.310 nan 0.000 0.524 91 c N 4.065 122.549 118.600 -0.194 0.000 2.663 91 c HA 0.301 4.872 4.570 0.000 0.000 0.379 91 c C 2.035 176.026 174.090 -0.166 0.000 1.255 91 c CA 0.075 56.296 56.329 -0.181 0.000 1.503 91 c CB -2.069 40.321 42.510 -0.201 0.000 2.187 91 c HN 0.651 nan 8.230 nan 0.000 0.580 92 T N 5.072 119.545 114.554 -0.135 0.000 2.597 92 T HA -0.216 4.135 4.350 0.000 0.000 0.267 92 T C 1.938 176.559 174.700 -0.131 0.000 1.053 92 T CA 1.763 63.794 62.100 -0.115 0.000 1.165 92 T CB -0.254 68.561 68.868 -0.088 0.000 0.863 92 T HN 0.723 nan 8.240 nan 0.000 0.427 93 L N 0.960 122.098 121.223 -0.141 0.000 1.991 93 L HA -0.145 4.195 4.340 0.000 0.000 0.221 93 L C 2.335 179.111 176.870 -0.156 0.000 1.079 93 L CA 1.975 56.733 54.840 -0.136 0.000 0.778 93 L CB -1.315 40.642 42.059 -0.171 0.000 0.893 93 L HN 0.357 nan 8.230 nan 0.000 0.437 94 L N -0.656 120.418 121.223 -0.248 0.000 2.027 94 L HA -0.177 4.163 4.340 0.000 0.000 0.206 94 L C 2.628 179.077 176.870 -0.701 0.000 1.074 94 L CA 1.023 55.595 54.840 -0.447 0.000 0.745 94 L CB -0.662 41.071 42.059 -0.544 0.000 0.898 94 L HN 0.264 nan 8.230 nan 0.000 0.433 95 E N 0.131 120.002 120.200 -0.550 0.000 2.147 95 E HA -0.245 4.105 4.350 0.000 0.000 0.199 95 E C 2.092 178.627 176.600 -0.108 0.000 1.005 95 E CA 1.173 57.369 56.400 -0.341 0.000 0.810 95 E CB -0.146 29.454 29.700 -0.166 0.000 0.736 95 E HN 0.414 nan 8.360 nan 0.000 0.460 96 E N 0.415 120.564 120.200 -0.084 0.000 2.017 96 E HA -0.121 4.229 4.350 0.000 0.000 0.193 96 E C 2.057 178.700 176.600 0.072 0.000 0.997 96 E CA 1.132 57.526 56.400 -0.010 0.000 0.804 96 E CB -0.412 29.270 29.700 -0.031 0.000 0.757 96 E HN 0.227 nan 8.360 nan 0.000 0.448 97 A N 0.941 123.832 122.820 0.119 0.000 1.908 97 A HA -0.198 4.122 4.320 0.000 0.000 0.218 97 A C 2.103 179.955 177.584 0.448 0.000 1.181 97 A CA 1.423 53.642 52.037 0.303 0.000 0.627 97 A CB -0.854 18.336 19.000 0.318 0.000 0.818 97 A HN 0.162 nan 8.150 nan 0.000 0.445 98 F N -0.257 119.740 119.950 0.078 0.000 2.120 98 F HA -0.153 4.375 4.527 0.001 0.000 0.300 98 F C 2.475 178.334 175.800 0.098 0.000 1.095 98 F CA 1.526 59.562 58.000 0.059 0.000 1.249 98 F CB -0.781 38.197 39.000 -0.037 0.000 0.995 98 F HN 0.256 nan 8.300 nan 0.000 0.480 99 R N 0.146 120.797 120.500 0.253 0.000 2.073 99 R HA -0.111 4.230 4.340 0.000 0.000 0.229 99 R C 2.475 178.830 176.300 0.093 0.000 1.120 99 R CA 1.130 57.310 56.100 0.133 0.000 0.967 99 R CB -0.195 30.143 30.300 0.064 0.000 0.862 99 R HN 0.146 nan 8.270 nan 0.000 0.436 100 R N -0.721 119.806 120.500 0.045 0.000 2.083 100 R HA -0.203 4.138 4.340 0.000 0.000 0.237 100 R C 1.847 177.973 176.300 -0.289 0.000 1.137 100 R CA 1.966 57.965 56.100 -0.169 0.000 0.951 100 R CB -0.414 29.786 30.300 -0.167 0.000 0.851 100 R HN 0.274 nan 8.270 nan 0.000 0.434 101 Y N -0.714 119.612 120.300 0.043 0.000 2.220 101 Y HA -0.170 4.380 4.550 0.000 0.000 0.291 101 Y C 2.307 178.325 175.900 0.197 0.000 1.129 101 Y CA 1.931 60.132 58.100 0.168 0.000 1.161 101 Y CB -0.441 38.170 38.460 0.253 0.000 0.997 101 Y HN 0.325 nan 8.280 nan 0.000 0.522 102 H N -0.645 118.598 119.070 0.289 0.000 2.492 102 H HA -0.145 4.411 4.556 0.000 0.000 0.296 102 H C 2.276 177.759 175.328 0.258 0.000 1.095 102 H CA 1.401 57.648 56.048 0.332 0.000 1.281 102 H CB -0.334 29.569 29.762 0.234 0.000 1.374 102 H HN 0.381 nan 8.280 nan 0.000 0.545 103 G N -0.967 107.924 108.800 0.153 0.000 2.394 103 G HA2 -0.240 3.720 3.960 0.000 0.000 0.214 103 G HA3 -0.240 3.720 3.960 0.000 0.000 0.214 103 G C 1.038 175.951 174.900 0.022 0.000 1.176 103 G CA 0.649 45.758 45.100 0.014 0.000 0.786 103 G HN 0.359 nan 8.290 nan 0.000 0.533 104 Y N 0.932 121.247 120.300 0.025 0.000 2.114 104 Y HA -0.020 4.531 4.550 0.000 0.000 0.284 104 Y C 2.801 178.665 175.900 -0.060 0.000 1.143 104 Y CA 0.371 58.446 58.100 -0.041 0.000 1.135 104 Y CB -0.817 37.583 38.460 -0.101 0.000 0.980 104 Y HN 0.110 nan 8.280 nan 0.000 0.499 105 I N -1.470 119.149 120.570 0.082 0.000 2.151 105 I HA -0.341 3.829 4.170 0.000 0.000 0.243 105 I C 1.556 177.368 176.117 -0.508 0.000 1.080 105 I CA 1.579 62.718 61.300 -0.267 0.000 1.339 105 I CB -0.439 37.301 38.000 -0.434 0.000 1.039 105 I HN 0.022 nan 8.210 nan 0.000 0.409 106 F N -0.122 119.666 119.950 -0.270 0.000 2.335 106 F HA 0.482 5.010 4.527 0.000 0.000 0.249 106 F C 1.537 177.300 175.800 -0.062 0.000 1.162 106 F CA 0.765 58.544 58.000 -0.367 0.000 1.015 106 F CB -1.210 37.426 39.000 -0.607 0.000 1.054 106 F HN 0.125 nan 8.300 nan 0.000 0.587 123 Q N 1.339 121.164 119.800 0.041 0.000 2.306 123 Q HA 0.693 5.033 4.340 0.000 0.000 0.265 123 Q C -1.290 174.762 176.000 0.086 0.000 1.022 123 Q CA -0.608 55.242 55.803 0.078 0.000 0.853 123 Q CB 2.167 30.967 28.738 0.103 0.000 1.327 123 Q HN 0.200 nan 8.270 nan 0.000 0.449 124 V N 4.374 124.361 119.914 0.122 0.000 2.333 124 V HA 0.131 4.251 4.120 0.000 0.000 0.274 124 V C 0.393 176.679 176.094 0.319 0.000 1.028 124 V CA -0.159 62.263 62.300 0.204 0.000 0.851 124 V CB 1.261 33.220 31.823 0.227 0.000 1.000 124 V HN 0.895 nan 8.190 nan 0.000 0.456 125 Q N 2.889 122.846 119.800 0.262 0.000 2.391 125 Q HA 0.223 4.563 4.340 0.000 0.000 0.211 125 Q C 0.363 176.472 176.000 0.182 0.000 0.908 125 Q CA 0.359 56.305 55.803 0.239 0.000 0.920 125 Q CB 1.223 30.053 28.738 0.154 0.000 1.056 125 Q HN 0.768 nan 8.270 nan 0.000 0.523 126 Q N 0.362 120.225 119.800 0.105 0.000 2.403 126 Q HA 0.360 4.701 4.340 0.000 0.000 0.267 126 Q C -2.224 173.673 176.000 -0.172 0.000 0.991 126 Q CA -0.353 55.351 55.803 -0.165 0.000 0.906 126 Q CB 1.955 30.660 28.738 -0.055 0.000 1.422 126 Q HN 0.103 nan 8.270 nan 0.000 0.400 127 L N 4.559 125.527 121.223 -0.425 0.000 2.280 127 L HA 0.543 4.883 4.340 0.000 0.000 0.287 127 L C -1.691 174.960 176.870 -0.366 0.000 1.023 127 L CA -0.205 54.422 54.840 -0.355 0.000 0.819 127 L CB 0.947 42.697 42.059 -0.514 0.000 1.212 127 L HN 0.602 nan 8.230 nan 0.000 0.420 128 L N 6.165 127.241 121.223 -0.245 0.000 2.275 128 L HA 0.474 4.814 4.340 0.000 0.000 0.288 128 L C -0.558 176.206 176.870 -0.176 0.000 1.046 128 L CA -0.870 53.856 54.840 -0.189 0.000 0.805 128 L CB 1.628 43.630 42.059 -0.096 0.000 1.193 128 L HN 0.328 nan 8.230 nan 0.000 0.426 129 V N 2.563 122.377 119.914 -0.166 0.000 2.407 129 V HA 0.274 4.394 4.120 0.000 0.000 0.278 129 V C 0.241 176.360 176.094 0.042 0.000 1.037 129 V CA -0.205 62.052 62.300 -0.072 0.000 0.900 129 V CB 1.523 33.335 31.823 -0.018 0.000 0.983 129 V HN 0.779 nan 8.190 nan 0.000 0.459 130 S N 5.647 121.369 115.700 0.036 0.000 2.552 130 S HA 0.621 5.091 4.470 0.000 0.000 0.314 130 S C -0.634 173.997 174.600 0.052 0.000 1.099 130 S CA -0.629 57.602 58.200 0.052 0.000 1.070 130 S CB 0.481 63.699 63.200 0.029 0.000 0.998 130 S HN 0.488 nan 8.310 nan 0.000 0.474 131 I N 5.124 125.725 120.570 0.052 0.000 2.325 131 I HA 0.219 4.389 4.170 0.000 0.000 0.291 131 I C 1.458 177.586 176.117 0.018 0.000 1.019 131 I CA -0.087 61.229 61.300 0.026 0.000 1.302 131 I CB 0.773 38.773 38.000 0.001 0.000 1.401 131 I HN 0.601 nan 8.210 nan 0.000 0.485 132 T N 5.945 120.512 114.554 0.022 0.000 2.671 132 T HA 0.143 4.493 4.350 0.000 0.000 0.250 132 T C 1.266 175.973 174.700 0.011 0.000 1.068 132 T CA 0.651 62.762 62.100 0.019 0.000 1.177 132 T CB 0.014 68.898 68.868 0.027 0.000 0.876 132 T HN 0.323 nan 8.240 nan 0.000 0.405 133 L N 0.893 122.124 121.223 0.015 0.000 2.540 133 L HA 0.300 4.640 4.340 0.000 0.000 0.215 133 L C 0.868 177.737 176.870 -0.002 0.000 1.204 133 L CA -0.761 54.087 54.840 0.012 0.000 0.841 133 L CB -0.057 42.017 42.059 0.026 0.000 1.420 133 L HN 0.253 nan 8.230 nan 0.000 0.519 134 Q N 0.295 120.096 119.800 0.001 0.000 2.244 134 Q HA -0.048 4.292 4.340 0.000 0.000 0.276 134 Q C 1.191 177.173 176.000 -0.030 0.000 1.122 134 Q CA 0.251 56.047 55.803 -0.012 0.000 0.920 134 Q CB 0.847 29.587 28.738 0.002 0.000 1.186 134 Q HN 0.709 nan 8.270 nan 0.000 0.393 135 S N 3.527 119.189 115.700 -0.063 0.000 2.400 135 S HA -0.283 4.187 4.470 0.000 0.000 0.234 135 S C 0.346 174.835 174.600 -0.185 0.000 1.049 135 S CA 1.605 59.732 58.200 -0.121 0.000 1.039 135 S CB -0.295 62.823 63.200 -0.136 0.000 0.856 135 S HN 0.939 nan 8.310 nan 0.000 0.465 136 E N -0.908 119.226 120.200 -0.111 0.000 2.722 136 E HA -0.269 4.081 4.350 0.000 0.000 0.265 136 E C 1.068 177.534 176.600 -0.223 0.000 1.081 136 E CA 0.531 56.880 56.400 -0.085 0.000 0.781 136 E CB -2.607 27.116 29.700 0.038 0.000 1.372 136 E HN 0.758 nan 8.360 nan 0.000 0.423 137 c N 0.639 119.105 118.600 -0.225 0.000 2.413 137 c HA -0.162 4.408 4.570 0.000 0.000 0.277 137 c C 1.186 175.149 174.090 -0.211 0.000 1.265 137 c CA 1.419 57.591 56.329 -0.262 0.000 1.752 137 c CB -0.206 42.185 42.510 -0.199 0.000 1.998 137 c HN 0.382 nan 8.230 nan 0.000 0.489 138 D N 0.728 121.050 120.400 -0.131 0.000 2.894 138 D HA 0.465 5.105 4.640 0.000 0.000 0.273 138 D C 0.190 176.446 176.300 -0.074 0.000 1.328 138 D CA 0.514 54.449 54.000 -0.108 0.000 0.845 138 D CB 0.575 41.329 40.800 -0.076 0.000 1.072 138 D HN 0.642 nan 8.370 nan 0.000 0.484 139 A N -0.112 122.687 122.820 -0.035 0.000 2.437 139 A HA 0.754 5.074 4.320 0.000 0.000 0.288 139 A C -1.082 176.535 177.584 0.055 0.000 1.201 139 A CA -0.625 51.462 52.037 0.084 0.000 0.795 139 A CB 1.181 20.314 19.000 0.221 0.000 1.359 139 A HN 0.037 nan 8.150 nan 0.000 0.435 140 F N 1.218 121.314 119.950 0.243 0.000 2.420 140 F HA 0.474 5.001 4.527 0.000 0.000 0.342 140 F C -1.788 174.051 175.800 0.066 0.000 1.113 140 F CA -1.896 56.212 58.000 0.180 0.000 1.059 140 F CB 1.558 40.622 39.000 0.107 0.000 1.128 140 F HN 0.269 nan 8.300 nan 0.000 0.475 141 P HA 0.117 nan 4.420 nan 0.000 0.271 141 P C -1.024 176.173 177.300 -0.172 0.000 1.216 141 P CA -0.252 62.510 63.100 -0.564 0.000 0.771 141 P CB 0.883 31.818 31.700 -1.275 0.000 0.864 142 N N 2.153 120.789 118.700 -0.108 0.000 2.619 142 N HA 0.132 4.872 4.740 0.000 0.000 0.294 142 N C 0.796 176.322 175.510 0.025 0.000 1.279 142 N CA -0.936 52.128 53.050 0.023 0.000 0.867 142 N CB -0.008 38.530 38.487 0.086 0.000 1.329 142 N HN 0.179 nan 8.380 nan 0.000 0.557 143 I N -0.047 120.605 120.570 0.137 0.000 2.399 143 I HA -0.197 3.973 4.170 0.000 0.000 0.254 143 I C 0.789 176.950 176.117 0.074 0.000 1.146 143 I CA 1.570 62.942 61.300 0.120 0.000 1.412 143 I CB -0.327 37.769 38.000 0.160 0.000 1.076 143 I HN 0.623 nan 8.210 nan 0.000 0.432 144 S N -1.019 114.726 115.700 0.074 0.000 2.526 144 S HA 0.355 4.826 4.470 0.000 0.000 0.245 144 S C 0.355 174.987 174.600 0.053 0.000 1.103 144 S CA -0.630 57.607 58.200 0.061 0.000 1.095 144 S CB -0.383 62.863 63.200 0.077 0.000 0.826 144 S HN 0.190 nan 8.310 nan 0.000 0.468 145 S N 2.892 118.591 115.700 -0.001 0.000 2.430 145 S HA 0.231 4.701 4.470 0.000 0.000 0.289 145 S C -0.282 174.371 174.600 0.088 0.000 1.143 145 S CA -0.557 57.639 58.200 -0.008 0.000 1.067 145 S CB 0.648 63.601 63.200 -0.412 0.000 0.964 145 S HN 0.542 nan 8.310 nan 0.000 0.485 146 D N 2.694 123.218 120.400 0.206 0.000 2.349 146 D HA 0.007 4.648 4.640 0.000 0.000 0.266 146 D C 0.391 176.862 176.300 0.284 0.000 1.293 146 D CA 0.188 54.303 54.000 0.190 0.000 0.926 146 D CB 0.359 41.257 40.800 0.162 0.000 1.090 146 D HN 0.542 nan 8.370 nan 0.000 0.502 147 E N 1.318 121.650 120.200 0.220 0.000 2.451 147 E HA 0.066 4.416 4.350 0.000 0.000 0.194 147 E C 0.119 176.922 176.600 0.339 0.000 1.027 147 E CA -0.290 56.304 56.400 0.323 0.000 0.914 147 E CB 0.294 30.182 29.700 0.313 0.000 1.054 147 E HN 0.450 nan 8.360 nan 0.000 0.461 148 S N 0.677 116.504 115.700 0.213 0.000 2.565 148 S HA 0.387 4.857 4.470 0.000 0.000 0.274 148 S C -0.374 174.377 174.600 0.251 0.000 1.309 148 S CA -0.724 57.566 58.200 0.151 0.000 1.043 148 S CB 0.349 63.564 63.200 0.024 0.000 0.939 148 S HN 0.271 nan 8.310 nan 0.000 0.504 149 Y N -1.280 119.096 120.300 0.127 0.000 2.625 149 Y HA 0.800 5.350 4.550 0.000 0.000 0.338 149 Y C -0.801 175.149 175.900 0.084 0.000 1.123 149 Y CA -0.949 57.212 58.100 0.102 0.000 1.046 149 Y CB 1.101 39.631 38.460 0.116 0.000 1.299 149 Y HN 0.820 nan 8.280 nan 0.000 0.464 150 T N 1.025 115.690 114.554 0.186 0.000 2.881 150 T HA 0.646 4.996 4.350 0.000 0.000 0.290 150 T C -1.751 173.064 174.700 0.191 0.000 1.000 150 T CA -0.556 61.605 62.100 0.101 0.000 0.978 150 T CB 1.618 70.510 68.868 0.039 0.000 0.997 150 T HN 0.927 nan 8.240 nan 0.000 0.443 151 L N 3.097 124.438 121.223 0.196 0.000 2.346 151 L HA 0.793 5.134 4.340 0.000 0.000 0.274 151 L C -1.504 175.434 176.870 0.113 0.000 1.007 151 L CA -1.085 53.861 54.840 0.178 0.000 0.818 151 L CB 1.644 43.864 42.059 0.267 0.000 1.284 151 L HN 0.828 nan 8.230 nan 0.000 0.424 152 L N 5.556 126.826 121.223 0.078 0.000 2.406 152 L HA 0.486 4.826 4.340 0.000 0.000 0.270 152 L C -1.163 175.754 176.870 0.078 0.000 0.982 152 L CA -0.694 54.187 54.840 0.068 0.000 0.843 152 L CB 2.030 44.115 42.059 0.043 0.000 1.225 152 L HN 0.324 nan 8.230 nan 0.000 0.412 153 V N 4.271 124.251 119.914 0.111 0.000 2.320 153 V HA 0.435 4.556 4.120 0.000 0.000 0.265 153 V C -0.002 176.146 176.094 0.090 0.000 1.048 153 V CA -0.347 62.037 62.300 0.140 0.000 0.865 153 V CB 0.770 32.700 31.823 0.179 0.000 1.043 153 V HN 0.673 nan 8.190 nan 0.000 0.474 154 K N 2.957 123.404 120.400 0.079 0.000 2.533 154 K HA 0.531 4.851 4.320 0.000 0.000 0.272 154 K C -0.727 175.906 176.600 0.057 0.000 0.985 154 K CA -0.946 55.373 56.287 0.054 0.000 0.876 154 K CB 2.969 35.494 32.500 0.041 0.000 1.452 154 K HN 0.799 nan 8.250 nan 0.000 0.439 155 E N 0.735 120.960 120.200 0.042 0.000 2.248 155 E HA 0.334 4.684 4.350 0.000 0.000 0.272 155 E C -2.057 174.566 176.600 0.040 0.000 1.008 155 E CA -1.746 54.681 56.400 0.045 0.000 0.856 155 E CB 1.086 30.805 29.700 0.032 0.000 1.120 155 E HN 0.196 nan 8.360 nan 0.000 0.397 156 P HA 0.068 nan 4.420 nan 0.000 0.240 156 P C -0.559 176.788 177.300 0.077 0.000 1.190 156 P CA 0.122 63.259 63.100 0.062 0.000 0.781 156 P CB 0.355 32.089 31.700 0.057 0.000 0.931 157 V N 0.423 120.371 119.914 0.056 0.000 2.376 157 V HA 0.617 4.737 4.120 0.000 0.000 0.287 157 V C 0.236 176.351 176.094 0.035 0.000 1.015 157 V CA -1.435 60.892 62.300 0.045 0.000 0.834 157 V CB 1.011 32.844 31.823 0.017 0.000 1.001 157 V HN 0.047 nan 8.190 nan 0.000 0.428 158 A N 4.788 127.637 122.820 0.047 0.000 2.340 158 A HA 0.793 5.114 4.320 0.000 0.000 0.268 158 A C -0.373 177.175 177.584 -0.060 0.000 1.100 158 A CA -0.302 51.748 52.037 0.021 0.000 0.803 158 A CB 0.929 19.971 19.000 0.071 0.000 1.043 158 A HN 0.745 nan 8.150 nan 0.000 0.488 159 V N 2.410 122.289 119.914 -0.057 0.000 2.638 159 V HA 0.460 4.580 4.120 0.000 0.000 0.306 159 V C -0.836 175.216 176.094 -0.070 0.000 1.052 159 V CA -0.455 61.801 62.300 -0.073 0.000 0.885 159 V CB 1.506 33.312 31.823 -0.029 0.000 0.999 159 V HN 0.877 nan 8.190 nan 0.000 0.424 160 L N 4.778 125.940 121.223 -0.103 0.000 2.313 160 L HA 0.715 5.055 4.340 0.000 0.000 0.283 160 L C -0.541 176.327 176.870 -0.003 0.000 1.013 160 L CA 0.132 54.940 54.840 -0.053 0.000 0.816 160 L CB 1.292 43.268 42.059 -0.139 0.000 1.236 160 L HN 0.669 nan 8.230 nan 0.000 0.419 161 K N 4.107 124.542 120.400 0.059 0.000 2.371 161 K HA 0.930 5.250 4.320 0.000 0.000 0.251 161 K C -1.773 174.897 176.600 0.116 0.000 0.934 161 K CA -0.634 55.694 56.287 0.067 0.000 0.798 161 K CB 2.001 34.532 32.500 0.052 0.000 1.204 161 K HN 0.844 nan 8.250 nan 0.000 0.427 162 A N 2.646 125.526 122.820 0.099 0.000 2.589 162 A HA 0.283 4.603 4.320 0.000 0.000 0.296 162 A C -0.116 177.516 177.584 0.079 0.000 1.062 162 A CA -0.799 51.312 52.037 0.123 0.000 0.686 162 A CB 1.195 20.299 19.000 0.174 0.000 1.282 162 A HN 0.853 nan 8.150 nan 0.000 0.404 163 N N 0.669 119.417 118.700 0.080 0.000 2.018 163 N HA -0.124 4.616 4.740 0.000 0.000 0.196 163 N C 0.448 175.982 175.510 0.040 0.000 1.043 163 N CA 1.367 54.452 53.050 0.058 0.000 0.856 163 N CB -0.241 38.287 38.487 0.068 0.000 1.042 163 N HN 0.622 nan 8.380 nan 0.000 0.423 164 R N -0.138 120.394 120.500 0.054 0.000 2.797 164 R HA 0.324 4.664 4.340 0.000 0.000 0.251 164 R C 1.593 177.815 176.300 -0.131 0.000 1.107 164 R CA -0.716 55.366 56.100 -0.029 0.000 1.084 164 R CB -0.014 30.332 30.300 0.077 0.000 1.205 164 R HN -0.165 nan 8.270 nan 0.000 0.515 165 V N 0.387 120.057 119.914 -0.405 0.000 2.392 165 V HA -0.234 3.887 4.120 0.000 0.000 0.249 165 V C 1.779 177.679 176.094 -0.322 0.000 1.059 165 V CA 1.804 63.827 62.300 -0.461 0.000 1.051 165 V CB -0.455 30.936 31.823 -0.720 0.000 0.658 165 V HN 0.659 nan 8.190 nan 0.000 0.455 166 W N 0.358 121.704 121.300 0.077 0.000 2.335 166 W HA -0.056 4.605 4.660 0.000 0.000 0.311 166 W C 2.558 179.152 176.519 0.125 0.000 1.213 166 W CA 0.899 58.303 57.345 0.097 0.000 1.274 166 W CB -1.333 28.193 29.460 0.111 0.000 1.148 166 W HN 0.255 nan 8.180 nan 0.000 0.498 167 G N 0.935 109.937 108.800 0.337 0.000 2.476 167 G HA2 -0.294 3.666 3.960 0.000 0.000 0.218 167 G HA3 -0.294 3.666 3.960 0.000 0.000 0.218 167 G C 1.686 176.686 174.900 0.166 0.000 1.164 167 G CA 1.906 47.205 45.100 0.331 0.000 0.768 167 G HN 0.367 nan 8.290 nan 0.000 0.560 168 A N -0.111 122.758 122.820 0.082 0.000 1.972 168 A HA 0.100 4.420 4.320 0.000 0.000 0.219 168 A C 2.351 179.899 177.584 -0.059 0.000 1.169 168 A CA 1.431 53.463 52.037 -0.008 0.000 0.635 168 A CB -0.300 18.714 19.000 0.023 0.000 0.810 168 A HN 0.319 nan 8.150 nan 0.000 0.446 169 L N -0.224 121.012 121.223 0.020 0.000 2.005 169 L HA -0.104 4.237 4.340 0.000 0.000 0.207 169 L C 2.572 179.399 176.870 -0.071 0.000 1.072 169 L CA 1.642 56.500 54.840 0.030 0.000 0.744 169 L CB -0.701 41.457 42.059 0.165 0.000 0.895 169 L HN 0.294 nan 8.230 nan 0.000 0.433 170 R N -0.575 119.903 120.500 -0.036 0.000 2.120 170 R HA -0.046 4.295 4.340 0.000 0.000 0.234 170 R C 2.128 178.077 176.300 -0.585 0.000 1.123 170 R CA 1.159 57.168 56.100 -0.152 0.000 0.975 170 R CB -1.383 29.017 30.300 0.166 0.000 0.866 170 R HN 0.475 nan 8.270 nan 0.000 0.446 171 G N 0.897 109.177 108.800 -0.866 0.000 2.394 171 G HA2 -0.137 3.823 3.960 0.000 0.000 0.215 171 G HA3 -0.137 3.823 3.960 0.000 0.000 0.215 171 G C 1.594 176.208 174.900 -0.477 0.000 1.165 171 G CA 0.013 44.439 45.100 -1.123 0.000 0.784 171 G HN 0.171 nan 8.290 nan 0.000 0.535 172 L N 0.250 121.231 121.223 -0.403 0.000 2.141 172 L HA -0.016 4.324 4.340 0.000 0.000 0.209 172 L C 2.728 179.218 176.870 -0.633 0.000 1.094 172 L CA 1.137 55.710 54.840 -0.445 0.000 0.763 172 L CB -0.150 41.593 42.059 -0.526 0.000 0.908 172 L HN 0.206 nan 8.230 nan 0.000 0.437 173 E N 0.196 120.081 120.200 -0.524 0.000 2.028 173 E HA -0.168 4.183 4.350 0.000 0.000 0.191 173 E C 2.055 178.620 176.600 -0.060 0.000 0.988 173 E CA 2.080 58.368 56.400 -0.185 0.000 0.799 173 E CB -0.376 29.324 29.700 -0.001 0.000 0.755 173 E HN 0.274 nan 8.360 nan 0.000 0.447 174 T N 0.574 115.054 114.554 -0.122 0.000 2.699 174 T HA -0.191 4.159 4.350 0.000 0.000 0.268 174 T C 1.571 176.294 174.700 0.038 0.000 1.036 174 T CA 1.540 63.623 62.100 -0.028 0.000 1.147 174 T CB -0.629 68.253 68.868 0.023 0.000 0.862 174 T HN 0.257 nan 8.240 nan 0.000 0.446 175 F N 2.323 122.204 119.950 -0.114 0.000 2.234 175 F HA -0.099 4.428 4.527 0.000 0.000 0.299 175 F C 2.583 178.357 175.800 -0.043 0.000 1.087 175 F CA 1.304 59.262 58.000 -0.069 0.000 1.340 175 F CB -0.454 38.493 39.000 -0.089 0.000 1.031 175 F HN 0.210 nan 8.300 nan 0.000 0.500 176 S N -0.434 115.255 115.700 -0.017 0.000 2.423 176 S HA -0.216 4.255 4.470 0.000 0.000 0.231 176 S C 1.598 176.142 174.600 -0.092 0.000 1.014 176 S CA 1.146 59.339 58.200 -0.012 0.000 0.965 176 S CB -0.685 62.711 63.200 0.325 0.000 0.785 176 S HN 0.666 nan 8.310 nan 0.000 0.495 177 Q N 0.014 119.779 119.800 -0.059 0.000 2.403 177 Q HA 0.359 4.700 4.340 0.000 0.000 0.203 177 Q C 1.373 177.336 176.000 -0.063 0.000 0.932 177 Q CA 0.160 55.937 55.803 -0.043 0.000 0.945 177 Q CB -0.014 28.725 28.738 0.003 0.000 1.045 177 Q HN 0.550 nan 8.270 nan 0.000 0.511 178 L N -0.566 120.568 121.223 -0.148 0.000 2.537 178 L HA 0.138 4.478 4.340 0.000 0.000 0.224 178 L C 0.352 177.143 176.870 -0.132 0.000 1.065 178 L CA -0.027 54.743 54.840 -0.116 0.000 0.860 178 L CB 0.864 42.842 42.059 -0.136 0.000 1.086 178 L HN -0.062 nan 8.230 nan 0.000 0.482 179 V N 0.440 120.155 119.914 -0.332 0.000 2.583 179 V HA 0.175 4.295 4.120 0.000 0.000 0.287 179 V C -0.427 175.594 176.094 -0.121 0.000 1.051 179 V CA -0.407 61.675 62.300 -0.363 0.000 1.010 179 V CB 0.156 31.624 31.823 -0.592 0.000 0.988 179 V HN 0.236 nan 8.190 nan 0.000 0.478 180 Y N 1.270 121.486 120.300 -0.140 0.000 2.655 180 Y HA 0.701 5.251 4.550 0.000 0.000 0.336 180 Y C -0.701 175.111 175.900 -0.146 0.000 1.154 180 Y CA -1.478 56.551 58.100 -0.119 0.000 1.055 180 Y CB 1.337 39.727 38.460 -0.117 0.000 1.295 180 Y HN 0.515 nan 8.280 nan 0.000 0.465 181 Q N 2.078 121.856 119.800 -0.036 0.000 2.230 181 Q HA 0.284 4.624 4.340 0.000 0.000 0.253 181 Q C -1.023 175.002 176.000 0.042 0.000 0.919 181 Q CA -0.983 54.672 55.803 -0.247 0.000 0.908 181 Q CB 1.960 30.447 28.738 -0.419 0.000 1.245 181 Q HN 0.777 nan 8.270 nan 0.000 0.437 182 D N 0.205 120.603 120.400 -0.002 0.000 2.511 182 D HA 0.074 4.715 4.640 0.000 0.000 0.276 182 D C 0.520 176.834 176.300 0.024 0.000 1.220 182 D CA -0.618 53.452 54.000 0.115 0.000 1.077 182 D CB 0.313 41.201 40.800 0.146 0.000 1.126 182 D HN 0.327 nan 8.370 nan 0.000 0.583 183 S N -1.390 114.325 115.700 0.026 0.000 2.428 183 S HA -0.232 4.238 4.470 0.000 0.000 0.240 183 S C 1.120 175.527 174.600 -0.321 0.000 1.036 183 S CA 1.361 59.470 58.200 -0.152 0.000 1.009 183 S CB -0.628 62.460 63.200 -0.188 0.000 0.803 183 S HN 0.517 nan 8.310 nan 0.000 0.486 184 Y N -0.100 120.160 120.300 -0.067 0.000 2.507 184 Y HA 0.400 4.950 4.550 0.000 0.000 0.254 184 Y C 1.662 177.490 175.900 -0.120 0.000 1.171 184 Y CA -0.042 58.009 58.100 -0.081 0.000 1.238 184 Y CB 0.360 38.776 38.460 -0.074 0.000 1.148 184 Y HN 0.278 nan 8.280 nan 0.000 0.525 185 G N 0.331 109.090 108.800 -0.069 0.000 2.159 185 G HA2 -0.291 3.669 3.960 0.000 0.000 0.256 185 G HA3 -0.291 3.669 3.960 0.000 0.000 0.256 185 G C 0.200 174.901 174.900 -0.333 0.000 0.977 185 G CA 0.330 45.304 45.100 -0.211 0.000 0.652 185 G HN 0.252 nan 8.290 nan 0.000 0.531 186 T N 1.363 115.794 114.554 -0.204 0.000 2.870 186 T HA 0.451 4.801 4.350 0.000 0.000 0.300 186 T C 0.294 174.817 174.700 -0.294 0.000 0.989 186 T CA 0.123 62.100 62.100 -0.205 0.000 1.139 186 T CB 0.575 69.326 68.868 -0.195 0.000 0.920 186 T HN 0.190 nan 8.240 nan 0.000 0.537 187 F N 2.495 122.398 119.950 -0.078 0.000 2.467 187 F HA 0.356 4.883 4.527 0.000 0.000 0.362 187 F C 1.295 176.986 175.800 -0.181 0.000 1.090 187 F CA -0.100 57.807 58.000 -0.156 0.000 1.202 187 F CB 0.680 39.612 39.000 -0.114 0.000 1.113 187 F HN 0.416 nan 8.300 nan 0.000 0.541 188 T N 5.316 119.714 114.554 -0.261 0.000 2.933 188 T HA 0.601 4.952 4.350 0.000 0.000 0.305 188 T C -1.252 173.038 174.700 -0.682 0.000 1.092 188 T CA -0.578 61.270 62.100 -0.420 0.000 1.008 188 T CB 1.777 70.332 68.868 -0.522 0.000 1.102 188 T HN 0.502 nan 8.240 nan 0.000 0.469 189 I N 2.651 122.979 120.570 -0.404 0.000 2.619 189 I HA 0.440 4.611 4.170 0.000 0.000 0.292 189 I C -1.159 174.889 176.117 -0.115 0.000 1.100 189 I CA -0.918 60.220 61.300 -0.269 0.000 1.043 189 I CB 1.805 39.667 38.000 -0.229 0.000 1.239 189 I HN 0.474 nan 8.210 nan 0.000 0.420 190 N N 5.869 124.576 118.700 0.011 0.000 2.513 190 N HA 0.090 4.830 4.740 0.000 0.000 0.268 190 N C -0.677 174.849 175.510 0.026 0.000 1.180 190 N CA -0.198 52.874 53.050 0.037 0.000 0.948 190 N CB 0.732 39.270 38.487 0.085 0.000 1.083 190 N HN 0.583 nan 8.380 nan 0.000 0.455 191 E N 0.265 120.476 120.200 0.018 0.000 2.344 191 E HA 0.343 4.693 4.350 0.000 0.000 0.270 191 E C -0.829 175.799 176.600 0.046 0.000 1.021 191 E CA -0.436 55.985 56.400 0.035 0.000 0.887 191 E CB 0.392 30.105 29.700 0.021 0.000 0.997 191 E HN 0.587 nan 8.360 nan 0.000 0.429 192 S N 2.436 118.174 115.700 0.063 0.000 2.588 192 S HA 0.454 4.924 4.470 0.000 0.000 0.269 192 S C -0.913 173.730 174.600 0.073 0.000 1.157 192 S CA -1.087 57.151 58.200 0.064 0.000 0.824 192 S CB 1.730 64.971 63.200 0.068 0.000 1.126 192 S HN 0.445 nan 8.310 nan 0.000 0.464 193 T N 1.564 116.156 114.554 0.063 0.000 2.864 193 T HA 0.595 4.946 4.350 0.000 0.000 0.299 193 T C -0.954 173.782 174.700 0.060 0.000 1.011 193 T CA -0.190 61.947 62.100 0.061 0.000 0.975 193 T CB 0.234 69.127 68.868 0.042 0.000 0.962 193 T HN 0.533 nan 8.240 nan 0.000 0.448 194 I N 3.506 124.124 120.570 0.080 0.000 2.493 194 I HA 0.585 4.755 4.170 0.000 0.000 0.298 194 I C -0.509 175.616 176.117 0.014 0.000 0.998 194 I CA -0.650 60.692 61.300 0.070 0.000 1.137 194 I CB 1.720 39.805 38.000 0.142 0.000 1.310 194 I HN 0.542 nan 8.210 nan 0.000 0.445 195 I N 4.916 125.457 120.570 -0.049 0.000 2.500 195 I HA 0.400 4.571 4.170 0.000 0.000 0.286 195 I C -1.330 174.673 176.117 -0.190 0.000 1.063 195 I CA -0.232 60.993 61.300 -0.125 0.000 1.062 195 I CB 1.742 39.703 38.000 -0.066 0.000 1.223 195 I HN 0.418 nan 8.210 nan 0.000 0.435 196 D N 4.261 124.423 120.400 -0.397 0.000 2.964 196 D HA 0.641 5.282 4.640 0.000 0.000 0.234 196 D C -1.207 174.924 176.300 -0.282 0.000 1.223 196 D CA -0.195 53.605 54.000 -0.334 0.000 0.889 196 D CB 2.042 42.583 40.800 -0.431 0.000 1.609 196 D HN 0.453 nan 8.370 nan 0.000 0.523 197 S N 2.572 118.151 115.700 -0.201 0.000 2.546 197 S HA 0.785 5.255 4.470 0.000 0.000 0.274 197 S C -2.971 171.144 174.600 -0.809 0.000 1.121 197 S CA -1.319 56.676 58.200 -0.342 0.000 0.887 197 S CB 2.407 65.460 63.200 -0.244 0.000 1.094 197 S HN 0.231 nan 8.310 nan 0.000 0.474 198 P HA 0.205 nan 4.420 nan 0.000 0.268 198 P C 0.333 177.216 177.300 -0.695 0.000 1.204 198 P CA -0.324 61.882 63.100 -1.490 0.000 0.768 198 P CB 0.809 31.862 31.700 -1.078 0.000 0.842 199 R N 2.199 122.372 120.500 -0.546 0.000 2.075 199 R HA -0.008 4.332 4.340 0.000 0.000 0.232 199 R C 0.115 176.075 176.300 -0.568 0.000 1.126 199 R CA 1.190 57.020 56.100 -0.449 0.000 0.963 199 R CB -0.064 30.049 30.300 -0.310 0.000 0.858 199 R HN 0.388 nan 8.270 nan 0.000 0.435 200 F N -1.287 118.599 119.950 -0.106 0.000 2.538 200 F HA 0.223 4.751 4.527 0.000 0.000 0.325 200 F C 1.185 176.960 175.800 -0.041 0.000 1.066 200 F CA -0.710 57.289 58.000 -0.000 0.000 0.946 200 F CB 2.230 41.298 39.000 0.114 0.000 1.199 200 F HN -0.075 nan 8.300 nan 0.000 0.473 201 S N -1.137 114.688 115.700 0.209 0.000 2.514 201 S HA 0.059 4.529 4.470 0.000 0.000 0.223 201 S C 0.257 174.935 174.600 0.130 0.000 1.046 201 S CA 0.134 58.396 58.200 0.103 0.000 0.914 201 S CB -0.186 63.056 63.200 0.070 0.000 0.807 201 S HN 0.656 nan 8.310 nan 0.000 0.497 202 H N 2.232 121.353 119.070 0.084 0.000 2.641 202 H HA 0.490 5.046 4.556 0.000 0.000 0.295 202 H C -0.972 174.396 175.328 0.065 0.000 1.070 202 H CA -0.366 55.708 56.048 0.044 0.000 1.257 202 H CB 0.346 30.094 29.762 -0.025 0.000 1.393 202 H HN 0.299 nan 8.280 nan 0.000 0.464 203 R N 3.800 124.213 120.500 -0.145 0.000 2.487 203 R HA 0.372 4.712 4.340 0.000 0.000 0.288 203 R C -0.183 176.144 176.300 0.044 0.000 1.394 203 R CA -0.718 55.325 56.100 -0.095 0.000 1.155 203 R CB 1.684 31.861 30.300 -0.205 0.000 1.156 203 R HN 0.553 nan 8.270 nan 0.000 0.553 204 G N 2.257 111.145 108.800 0.147 0.000 2.568 204 G HA2 0.646 4.606 3.960 0.000 0.000 0.313 204 G HA3 0.646 4.606 3.960 0.000 0.000 0.313 204 G C -0.584 174.477 174.900 0.268 0.000 1.227 204 G CA -0.578 44.657 45.100 0.225 0.000 0.979 204 G HN 0.238 nan 8.290 nan 0.000 0.486 205 I N 1.091 121.688 120.570 0.045 0.000 2.433 205 I HA 0.287 4.457 4.170 0.000 0.000 0.292 205 I C -0.943 175.095 176.117 -0.132 0.000 1.001 205 I CA -0.814 60.388 61.300 -0.163 0.000 1.119 205 I CB 1.794 39.579 38.000 -0.358 0.000 1.289 205 I HN 0.214 nan 8.210 nan 0.000 0.438 206 L N 8.460 129.530 121.223 -0.255 0.000 2.257 206 L HA 0.528 4.868 4.340 0.000 0.000 0.290 206 L C -0.362 176.203 176.870 -0.508 0.000 1.044 206 L CA -0.395 54.182 54.840 -0.438 0.000 0.810 206 L CB 0.483 42.100 42.059 -0.737 0.000 1.193 206 L HN 0.523 nan 8.230 nan 0.000 0.425 207 I N 1.799 122.144 120.570 -0.375 0.000 2.412 207 I HA 0.549 4.719 4.170 0.000 0.000 0.296 207 I C -0.827 175.146 176.117 -0.240 0.000 0.987 207 I CA -0.603 60.499 61.300 -0.331 0.000 1.180 207 I CB 1.996 39.815 38.000 -0.301 0.000 1.340 207 I HN 0.540 nan 8.210 nan 0.000 0.455 208 D N 4.430 124.707 120.400 -0.205 0.000 2.414 208 D HA 0.239 4.880 4.640 0.000 0.000 0.232 208 D C 0.486 176.856 176.300 0.117 0.000 1.070 208 D CA -0.473 53.503 54.000 -0.040 0.000 0.839 208 D CB 1.753 42.493 40.800 -0.100 0.000 1.079 208 D HN 0.756 nan 8.370 nan 0.000 0.521 209 T N 0.029 114.736 114.554 0.256 0.000 3.134 209 T HA 0.113 4.464 4.350 0.000 0.000 0.260 209 T C 1.246 176.157 174.700 0.352 0.000 1.027 209 T CA 0.109 62.416 62.100 0.345 0.000 0.913 209 T CB 0.249 69.460 68.868 0.573 0.000 1.046 209 T HN 0.170 nan 8.240 nan 0.000 0.553 210 S N 1.097 116.954 115.700 0.263 0.000 2.444 210 S HA 0.139 4.609 4.470 0.000 0.000 0.223 210 S C 2.052 176.756 174.600 0.173 0.000 1.054 210 S CA -0.067 58.239 58.200 0.177 0.000 0.947 210 S CB -0.077 63.214 63.200 0.152 0.000 0.850 210 S HN 0.308 nan 8.310 nan 0.000 0.527 211 R N 0.432 121.042 120.500 0.184 0.000 2.152 211 R HA 0.205 4.545 4.340 0.000 0.000 0.232 211 R C -0.117 176.193 176.300 0.016 0.000 1.117 211 R CA 1.074 57.246 56.100 0.120 0.000 0.981 211 R CB -0.290 30.069 30.300 0.099 0.000 0.870 211 R HN 0.552 nan 8.270 nan 0.000 0.451 212 H N -3.211 116.037 119.070 0.297 0.000 2.974 212 H HA 0.183 4.739 4.556 0.000 0.000 0.366 212 H C -1.684 173.871 175.328 0.378 0.000 1.155 212 H CA -0.967 55.276 56.048 0.324 0.000 1.186 212 H CB 1.107 30.976 29.762 0.179 0.000 1.799 212 H HN -0.030 nan 8.280 nan 0.000 0.541 213 Y N 3.449 124.022 120.300 0.454 0.000 2.402 213 Y HA 0.272 4.822 4.550 0.001 0.000 0.333 213 Y C -0.855 175.217 175.900 0.287 0.000 1.076 213 Y CA -0.343 57.981 58.100 0.373 0.000 1.299 213 Y CB 0.367 39.085 38.460 0.430 0.000 1.197 213 Y HN 0.450 nan 8.280 nan 0.000 0.517 214 L N 9.913 131.008 121.223 -0.212 0.000 2.262 214 L HA 0.366 4.706 4.340 0.000 0.000 0.288 214 L C -2.250 174.393 176.870 -0.378 0.000 1.035 214 L CA -2.255 52.475 54.840 -0.184 0.000 0.820 214 L CB 0.756 42.759 42.059 -0.095 0.000 1.204 214 L HN 0.566 nan 8.230 nan 0.000 0.424 215 P HA -0.063 nan 4.420 nan 0.000 0.260 215 P C 1.241 178.518 177.300 -0.038 0.000 1.172 215 P CA -0.010 63.069 63.100 -0.034 0.000 0.760 215 P CB 0.685 32.420 31.700 0.057 0.000 0.773 216 V N 4.206 124.149 119.914 0.048 0.000 2.363 216 V HA -0.331 3.789 4.120 0.000 0.000 0.254 216 V C 2.227 178.264 176.094 -0.096 0.000 1.074 216 V CA 1.908 64.210 62.300 0.002 0.000 1.069 216 V CB -1.095 30.781 31.823 0.089 0.000 0.659 216 V HN 0.634 nan 8.190 nan 0.000 0.455 217 K N -0.553 119.807 120.400 -0.065 0.000 2.063 217 K HA -0.144 4.176 4.320 0.000 0.000 0.208 217 K C 2.130 178.665 176.600 -0.108 0.000 1.048 217 K CA 1.876 58.107 56.287 -0.094 0.000 0.928 217 K CB -0.259 32.214 32.500 -0.045 0.000 0.713 217 K HN 0.480 nan 8.250 nan 0.000 0.442 218 I N 0.971 121.489 120.570 -0.086 0.000 2.676 218 I HA -0.188 3.983 4.170 0.000 0.000 0.259 218 I C 1.636 177.683 176.117 -0.118 0.000 1.194 218 I CA 0.885 62.139 61.300 -0.077 0.000 1.473 218 I CB 0.130 38.099 38.000 -0.052 0.000 1.096 218 I HN 0.175 nan 8.210 nan 0.000 0.443 219 I N 0.423 120.879 120.570 -0.189 0.000 2.353 219 I HA -0.266 3.904 4.170 0.000 0.000 0.248 219 I C 2.331 178.320 176.117 -0.214 0.000 1.119 219 I CA 0.937 62.077 61.300 -0.266 0.000 1.417 219 I CB -0.302 37.427 38.000 -0.451 0.000 1.078 219 I HN 0.197 nan 8.210 nan 0.000 0.421 220 L N 0.737 121.806 121.223 -0.258 0.000 2.017 220 L HA -0.205 4.135 4.340 0.000 0.000 0.208 220 L C 2.585 179.397 176.870 -0.098 0.000 1.073 220 L CA 1.559 56.183 54.840 -0.359 0.000 0.745 220 L CB -0.759 40.861 42.059 -0.731 0.000 0.894 220 L HN 0.192 nan 8.230 nan 0.000 0.432 221 K N -0.391 119.964 120.400 -0.074 0.000 2.152 221 K HA -0.136 4.185 4.320 0.000 0.000 0.206 221 K C 2.079 178.699 176.600 0.034 0.000 1.048 221 K CA 1.689 57.979 56.287 0.006 0.000 0.933 221 K CB -0.222 32.285 32.500 0.012 0.000 0.721 221 K HN 0.324 nan 8.250 nan 0.000 0.447 222 T N 1.937 116.518 114.554 0.045 0.000 2.821 222 T HA -0.074 4.276 4.350 0.000 0.000 0.267 222 T C 1.877 176.639 174.700 0.103 0.000 1.046 222 T CA 0.890 63.074 62.100 0.140 0.000 1.139 222 T CB -0.074 68.816 68.868 0.036 0.000 0.871 222 T HN 0.115 nan 8.240 nan 0.000 0.454 223 L N 0.767 122.020 121.223 0.050 0.000 2.005 223 L HA -0.102 4.238 4.340 0.000 0.000 0.207 223 L C 2.566 179.392 176.870 -0.072 0.000 1.072 223 L CA 1.207 56.082 54.840 0.057 0.000 0.744 223 L CB -0.614 41.556 42.059 0.185 0.000 0.895 223 L HN 0.114 nan 8.230 nan 0.000 0.433 224 D N 0.365 120.706 120.400 -0.098 0.000 2.149 224 D HA -0.223 4.417 4.640 0.000 0.000 0.194 224 D C 2.152 177.908 176.300 -0.906 0.000 1.001 224 D CA 1.739 55.450 54.000 -0.481 0.000 0.849 224 D CB -0.066 40.582 40.800 -0.253 0.000 0.939 224 D HN 0.350 nan 8.370 nan 0.000 0.449 225 A N -0.203 122.333 122.820 -0.472 0.000 2.014 225 A HA -0.075 4.246 4.320 0.000 0.000 0.218 225 A C 2.205 179.396 177.584 -0.656 0.000 1.163 225 A CA 0.918 52.584 52.037 -0.619 0.000 0.652 225 A CB -0.378 18.056 19.000 -0.944 0.000 0.808 225 A HN 0.174 nan 8.150 nan 0.000 0.449 226 M N -0.719 118.750 119.600 -0.218 0.000 2.156 226 M HA -0.034 4.447 4.480 0.000 0.000 0.264 226 M C 2.517 178.847 176.300 0.050 0.000 1.067 226 M CA 1.204 56.547 55.300 0.072 0.000 1.131 226 M CB -0.307 32.389 32.600 0.161 0.000 1.368 226 M HN 0.431 nan 8.290 nan 0.000 0.416 227 A N 0.435 123.163 122.820 -0.153 0.000 1.908 227 A HA -0.159 4.161 4.320 0.000 0.000 0.218 227 A C 1.769 179.306 177.584 -0.078 0.000 1.181 227 A CA 1.623 53.570 52.037 -0.150 0.000 0.627 227 A CB -0.982 17.841 19.000 -0.294 0.000 0.818 227 A HN 0.436 nan 8.150 nan 0.000 0.445 228 F N 0.168 120.090 119.950 -0.047 0.000 2.293 228 F HA -0.038 4.490 4.527 0.000 0.000 0.300 228 F C 1.947 177.790 175.800 0.072 0.000 1.086 228 F CA 0.794 58.764 58.000 -0.050 0.000 1.375 228 F CB -0.475 38.384 39.000 -0.236 0.000 1.045 228 F HN 0.251 nan 8.300 nan 0.000 0.516 229 N N 0.214 119.060 118.700 0.243 0.000 2.203 229 N HA 0.007 4.747 4.740 0.000 0.000 0.207 229 N C 0.059 175.773 175.510 0.341 0.000 1.130 229 N CA 0.122 53.412 53.050 0.401 0.000 0.861 229 N CB 0.203 39.016 38.487 0.543 0.000 1.005 229 N HN 0.180 nan 8.380 nan 0.000 0.507 230 K N 0.173 120.679 120.400 0.177 0.000 3.069 230 K HA -0.186 4.134 4.320 0.000 0.000 0.267 230 K C -0.737 175.955 176.600 0.154 0.000 1.082 230 K CA 0.555 56.884 56.287 0.069 0.000 0.782 230 K CB -1.688 30.642 32.500 -0.282 0.000 1.230 230 K HN 0.147 nan 8.250 nan 0.000 0.488 231 F N 1.270 121.311 119.950 0.151 0.000 2.389 231 F HA 0.112 4.640 4.527 0.000 0.000 0.337 231 F C 1.639 177.496 175.800 0.094 0.000 1.112 231 F CA -0.110 57.973 58.000 0.139 0.000 1.192 231 F CB 0.647 39.740 39.000 0.155 0.000 1.185 231 F HN 0.148 nan 8.300 nan 0.000 0.552 232 N N 0.042 118.864 118.700 0.204 0.000 2.143 232 N HA 0.116 4.856 4.740 0.000 0.000 0.222 232 N C -1.180 174.348 175.510 0.030 0.000 1.264 232 N CA 0.196 53.304 53.050 0.098 0.000 0.897 232 N CB 0.326 38.846 38.487 0.055 0.000 1.092 232 N HN 0.175 nan 8.380 nan 0.000 0.516 233 V N 1.491 121.417 119.914 0.021 0.000 2.577 233 V HA 0.438 4.559 4.120 0.000 0.000 0.303 233 V C -1.083 175.042 176.094 0.052 0.000 1.042 233 V CA -0.929 61.353 62.300 -0.030 0.000 0.872 233 V CB 2.146 33.796 31.823 -0.288 0.000 0.998 233 V HN 0.119 nan 8.190 nan 0.000 0.423 234 L N 4.428 125.695 121.223 0.073 0.000 2.297 234 L HA 0.483 4.823 4.340 0.000 0.000 0.277 234 L C 0.067 177.018 176.870 0.135 0.000 1.040 234 L CA -0.086 54.796 54.840 0.070 0.000 0.867 234 L CB 0.336 42.414 42.059 0.032 0.000 1.244 234 L HN 0.772 nan 8.230 nan 0.000 0.433 235 H N 4.617 123.701 119.070 0.022 0.000 3.145 235 H HA -0.001 4.555 4.556 0.000 0.000 0.263 235 H C -0.949 174.394 175.328 0.024 0.000 1.057 235 H CA -0.176 55.884 56.048 0.021 0.000 1.477 235 H CB 0.370 30.129 29.762 -0.004 0.000 1.529 235 H HN 0.707 nan 8.280 nan 0.000 0.508 236 W N 8.586 129.913 121.300 0.043 0.000 2.175 236 W HA 0.091 4.751 4.660 0.000 0.000 0.350 236 W C -0.524 175.914 176.519 -0.135 0.000 0.877 236 W CA -1.067 56.227 57.345 -0.085 0.000 1.544 236 W CB -0.722 28.659 29.460 -0.132 0.000 1.585 236 W HN 0.664 nan 8.180 nan 0.000 0.347 237 H N 5.445 124.571 119.070 0.094 0.000 3.681 237 H HA -0.072 4.484 4.556 0.000 0.000 0.242 237 H C 1.308 176.574 175.328 -0.104 0.000 1.428 237 H CA 0.845 56.832 56.048 -0.102 0.000 1.560 237 H CB 0.023 29.622 29.762 -0.272 0.000 1.762 237 H HN 0.610 nan 8.280 nan 0.000 0.592 238 I N 4.461 124.732 120.570 -0.498 0.000 2.500 238 I HA -0.102 4.068 4.170 0.000 0.000 0.252 238 I C 0.095 175.998 176.117 -0.357 0.000 1.142 238 I CA 0.480 61.431 61.300 -0.583 0.000 1.451 238 I CB 0.406 37.606 38.000 -1.333 0.000 1.093 238 I HN 0.265 nan 8.210 nan 0.000 0.430 239 V N -2.195 117.446 119.914 -0.455 0.000 3.102 239 V HA 0.679 4.799 4.120 0.000 0.000 0.312 239 V C -0.919 175.190 176.094 0.025 0.000 1.135 239 V CA -0.728 61.403 62.300 -0.281 0.000 1.022 239 V CB 1.808 33.264 31.823 -0.612 0.000 1.056 239 V HN 0.165 nan 8.190 nan 0.000 0.436 240 D N -0.513 119.996 120.400 0.181 0.000 2.827 240 D HA 0.123 4.763 4.640 0.000 0.000 0.336 240 D C -0.095 176.359 176.300 0.256 0.000 1.374 240 D CA -0.142 54.044 54.000 0.311 0.000 0.794 240 D CB 2.073 43.089 40.800 0.360 0.000 1.364 240 D HN 0.602 nan 8.370 nan 0.000 0.464 241 D N -0.018 120.514 120.400 0.219 0.000 2.170 241 D HA -0.217 4.423 4.640 0.000 0.000 0.193 241 D C 1.578 177.924 176.300 0.077 0.000 1.004 241 D CA 1.868 55.941 54.000 0.122 0.000 0.860 241 D CB 0.218 41.047 40.800 0.048 0.000 0.931 241 D HN 0.258 nan 8.370 nan 0.000 0.448 242 Q N -0.137 119.689 119.800 0.042 0.000 2.062 242 Q HA 0.037 4.377 4.340 0.000 0.000 0.196 242 Q C 0.653 176.496 176.000 -0.261 0.000 0.967 242 Q CA 0.608 56.389 55.803 -0.035 0.000 0.832 242 Q CB 0.293 29.047 28.738 0.028 0.000 0.899 242 Q HN 0.272 nan 8.270 nan 0.000 0.442 243 S N -1.664 113.847 115.700 -0.315 0.000 2.556 243 S HA 0.555 5.025 4.470 0.000 0.000 0.271 243 S C -1.368 173.190 174.600 -0.070 0.000 1.135 243 S CA -0.911 57.052 58.200 -0.394 0.000 0.858 243 S CB 0.996 63.575 63.200 -1.036 0.000 1.114 243 S HN 0.108 nan 8.310 nan 0.000 0.468 244 F N 3.636 123.509 119.950 -0.128 0.000 2.310 244 F HA 0.510 5.038 4.527 0.001 0.000 0.365 244 F C -2.013 173.791 175.800 0.007 0.000 1.080 244 F CA -2.214 55.747 58.000 -0.065 0.000 1.187 244 F CB 1.852 40.767 39.000 -0.141 0.000 1.465 244 F HN 0.431 nan 8.300 nan 0.000 0.496 245 P HA -0.144 nan 4.420 nan 0.000 0.229 245 P C 0.027 177.504 177.300 0.295 0.000 1.160 245 P CA 0.695 63.911 63.100 0.193 0.000 0.777 245 P CB -0.175 31.669 31.700 0.239 0.000 0.814 246 Y N 2.281 122.674 120.300 0.155 0.000 2.496 246 Y HA 0.112 4.663 4.550 0.001 0.000 0.334 246 Y C 0.810 176.949 175.900 0.399 0.000 1.080 246 Y CA -0.295 57.959 58.100 0.257 0.000 1.355 246 Y CB 0.119 38.661 38.460 0.137 0.000 1.193 246 Y HN -0.114 nan 8.280 nan 0.000 0.523 247 Q N 5.369 124.982 119.800 -0.312 0.000 2.369 247 Q HA 0.153 4.494 4.340 0.000 0.000 0.247 247 Q C -0.440 175.244 176.000 -0.527 0.000 1.083 247 Q CA -0.225 55.422 55.803 -0.260 0.000 0.905 247 Q CB 0.449 29.091 28.738 -0.160 0.000 1.305 247 Q HN 0.740 nan 8.270 nan 0.000 0.465 248 S N 3.518 119.157 115.700 -0.101 0.000 2.565 248 S HA 0.203 4.674 4.470 0.000 0.000 0.274 248 S C 1.071 175.685 174.600 0.023 0.000 1.309 248 S CA -0.433 57.827 58.200 0.100 0.000 1.043 248 S CB 0.589 64.048 63.200 0.432 0.000 0.939 248 S HN 0.770 nan 8.310 nan 0.000 0.504 249 I N 3.578 124.153 120.570 0.008 0.000 2.333 249 I HA -0.090 4.080 4.170 0.000 0.000 0.246 249 I C 2.220 178.301 176.117 -0.060 0.000 1.106 249 I CA 1.131 62.411 61.300 -0.032 0.000 1.411 249 I CB -0.179 37.798 38.000 -0.039 0.000 1.082 249 I HN 0.686 nan 8.210 nan 0.000 0.420 250 T N -0.341 114.166 114.554 -0.078 0.000 2.937 250 T HA 0.028 4.379 4.350 0.000 0.000 0.260 250 T C 0.359 174.756 174.700 -0.505 0.000 1.051 250 T CA 0.829 62.746 62.100 -0.305 0.000 1.141 250 T CB -0.166 68.465 68.868 -0.395 0.000 0.879 250 T HN 0.007 nan 8.240 nan 0.000 0.459 251 F N 2.212 122.208 119.950 0.077 0.000 2.453 251 F HA 0.360 4.887 4.527 0.001 0.000 0.358 251 F C -1.905 173.907 175.800 0.021 0.000 1.129 251 F CA -2.637 55.410 58.000 0.079 0.000 1.200 251 F CB 1.572 40.669 39.000 0.162 0.000 1.431 251 F HN -0.056 nan 8.300 nan 0.000 0.503 252 P HA -0.091 nan 4.420 nan 0.000 0.229 252 P C 0.957 178.271 177.300 0.024 0.000 1.160 252 P CA 1.062 64.188 63.100 0.043 0.000 0.777 252 P CB 0.473 32.177 31.700 0.006 0.000 0.814 253 E N -0.061 120.158 120.200 0.031 0.000 2.358 253 E HA 0.001 4.351 4.350 0.000 0.000 0.195 253 E C 2.137 178.683 176.600 -0.091 0.000 1.010 253 E CA 0.310 56.700 56.400 -0.016 0.000 0.856 253 E CB -0.612 29.084 29.700 -0.006 0.000 0.795 253 E HN 0.352 nan 8.360 nan 0.000 0.504 254 L N 1.169 122.299 121.223 -0.156 0.000 1.989 254 L HA -0.249 4.092 4.340 0.000 0.000 0.211 254 L C 2.725 179.393 176.870 -0.337 0.000 1.071 254 L CA 1.904 56.460 54.840 -0.473 0.000 0.749 254 L CB -0.639 40.916 42.059 -0.841 0.000 0.890 254 L HN 0.190 nan 8.230 nan 0.000 0.431 255 S N -0.433 115.221 115.700 -0.077 0.000 2.357 255 S HA -0.171 4.299 4.470 0.000 0.000 0.221 255 S C 1.726 176.337 174.600 0.020 0.000 1.031 255 S CA 1.413 59.661 58.200 0.081 0.000 0.982 255 S CB -0.633 62.637 63.200 0.116 0.000 0.853 255 S HN 0.345 nan 8.310 nan 0.000 0.458 256 N N 1.542 120.239 118.700 -0.006 0.000 2.247 256 N HA -0.031 4.709 4.740 0.000 0.000 0.189 256 N C 1.449 176.951 175.510 -0.013 0.000 1.009 256 N CA 1.431 54.477 53.050 -0.008 0.000 0.872 256 N CB -0.150 38.331 38.487 -0.010 0.000 0.980 256 N HN 0.438 nan 8.380 nan 0.000 0.436 257 K N -2.395 117.986 120.400 -0.032 0.000 2.474 257 K HA 0.338 4.659 4.320 0.000 0.000 0.204 257 K C 1.478 178.061 176.600 -0.027 0.000 1.220 257 K CA 0.250 56.519 56.287 -0.031 0.000 0.966 257 K CB 0.555 33.027 32.500 -0.047 0.000 1.049 257 K HN 0.097 nan 8.250 nan 0.000 0.554 258 G N 0.111 108.890 108.800 -0.034 0.000 2.656 258 G HA2 -0.038 3.922 3.960 0.000 0.000 0.211 258 G HA3 -0.038 3.922 3.960 0.000 0.000 0.211 258 G C 0.355 175.270 174.900 0.025 0.000 1.137 258 G CA 0.234 45.334 45.100 0.000 0.000 0.802 258 G HN 0.283 nan 8.290 nan 0.000 0.527 259 S N -0.438 115.290 115.700 0.046 0.000 2.579 259 S HA 0.138 4.609 4.470 0.000 0.000 0.275 259 S C 1.097 175.699 174.600 0.003 0.000 1.345 259 S CA -0.472 57.740 58.200 0.021 0.000 1.031 259 S CB 0.696 63.935 63.200 0.064 0.000 0.892 259 S HN 0.203 nan 8.310 nan 0.000 0.529 260 Y N 2.184 122.469 120.300 -0.024 0.000 2.102 260 Y HA -0.048 4.502 4.550 0.000 0.000 0.280 260 Y C 1.831 177.636 175.900 -0.158 0.000 1.178 260 Y CA 1.357 59.376 58.100 -0.135 0.000 1.146 260 Y CB -0.744 37.540 38.460 -0.293 0.000 0.968 260 Y HN 1.032 nan 8.280 nan 0.000 0.504 261 S N -2.940 112.785 115.700 0.042 0.000 2.643 261 S HA 0.334 4.804 4.470 0.000 0.000 0.270 261 S C -0.039 174.593 174.600 0.053 0.000 1.166 261 S CA -0.683 57.539 58.200 0.036 0.000 0.815 261 S CB 0.512 63.729 63.200 0.029 0.000 1.139 261 S HN -0.071 nan 8.310 nan 0.000 0.472 262 L N 2.048 123.290 121.223 0.032 0.000 2.395 262 L HA 0.123 4.463 4.340 0.000 0.000 0.218 262 L C 2.729 179.583 176.870 -0.026 0.000 1.130 262 L CA 1.540 56.384 54.840 0.006 0.000 0.826 262 L CB -0.539 41.522 42.059 0.003 0.000 0.941 262 L HN 0.888 nan 8.230 nan 0.000 0.451 263 S N -2.142 113.540 115.700 -0.030 0.000 2.446 263 S HA -0.063 4.408 4.470 0.000 0.000 0.225 263 S C 1.211 175.575 174.600 -0.393 0.000 1.016 263 S CA 0.206 58.321 58.200 -0.143 0.000 0.943 263 S CB -0.520 62.603 63.200 -0.129 0.000 0.786 263 S HN 0.447 nan 8.310 nan 0.000 0.508 264 H N 1.475 120.268 119.070 -0.462 0.000 2.970 264 H HA 0.492 5.049 4.556 0.000 0.000 0.226 264 H C -0.831 174.159 175.328 -0.563 0.000 1.909 264 H CA -0.020 55.483 56.048 -0.908 0.000 1.388 264 H CB -0.320 29.164 29.762 -0.463 0.000 1.773 264 H HN 0.187 nan 8.280 nan 0.000 0.559 265 V N 1.733 121.419 119.914 -0.380 0.000 2.971 265 V HA 0.168 4.288 4.120 0.000 0.000 0.309 265 V C -0.846 175.227 176.094 -0.035 0.000 1.130 265 V CA -0.900 61.337 62.300 -0.105 0.000 0.964 265 V CB 2.420 34.224 31.823 -0.032 0.000 1.029 265 V HN 0.403 nan 8.190 nan 0.000 0.427 266 Y N 1.999 122.459 120.300 0.267 0.000 2.717 266 Y HA 0.400 4.950 4.550 0.000 0.000 0.329 266 Y C 1.199 177.142 175.900 0.072 0.000 1.017 266 Y CA -0.745 57.497 58.100 0.237 0.000 1.275 266 Y CB 1.401 40.054 38.460 0.322 0.000 1.109 266 Y HN 0.760 nan 8.280 nan 0.000 0.511 267 T N 0.493 115.155 114.554 0.181 0.000 2.903 267 T HA 0.031 4.382 4.350 0.000 0.000 0.314 267 T C -1.538 173.191 174.700 0.048 0.000 1.078 267 T CA -1.508 60.628 62.100 0.059 0.000 1.114 267 T CB 1.099 69.999 68.868 0.053 0.000 0.987 267 T HN 0.272 nan 8.240 nan 0.000 0.548 268 P HA -0.230 nan 4.420 nan 0.000 0.222 268 P C 1.402 178.716 177.300 0.022 0.000 1.159 268 P CA 1.679 64.765 63.100 -0.024 0.000 0.920 268 P CB -0.104 31.573 31.700 -0.038 0.000 0.793 269 N N -0.973 117.749 118.700 0.036 0.000 2.309 269 N HA -0.131 4.610 4.740 0.000 0.000 0.182 269 N C 1.320 176.879 175.510 0.083 0.000 1.018 269 N CA 1.202 54.283 53.050 0.051 0.000 0.876 269 N CB -0.579 37.934 38.487 0.043 0.000 0.972 269 N HN 0.044 nan 8.380 nan 0.000 0.434 270 D N -0.531 119.942 120.400 0.121 0.000 2.097 270 D HA -0.102 4.538 4.640 0.000 0.000 0.195 270 D C 1.901 178.309 176.300 0.181 0.000 0.989 270 D CA 1.083 55.186 54.000 0.172 0.000 0.827 270 D CB -0.227 40.746 40.800 0.289 0.000 0.966 270 D HN 0.124 nan 8.370 nan 0.000 0.456 271 V N 1.434 121.464 119.914 0.194 0.000 2.427 271 V HA -0.201 3.919 4.120 0.000 0.000 0.248 271 V C 2.565 178.712 176.094 0.088 0.000 1.051 271 V CA 1.471 63.892 62.300 0.201 0.000 1.048 271 V CB -0.596 31.309 31.823 0.137 0.000 0.666 271 V HN 0.128 nan 8.190 nan 0.000 0.456 272 R N 0.549 121.074 120.500 0.043 0.000 2.080 272 R HA -0.233 4.107 4.340 0.000 0.000 0.236 272 R C 2.381 178.740 176.300 0.100 0.000 1.137 272 R CA 2.455 58.578 56.100 0.039 0.000 0.943 272 R CB -0.424 29.898 30.300 0.036 0.000 0.846 272 R HN 0.496 nan 8.270 nan 0.000 0.431 273 M N 0.520 120.182 119.600 0.104 0.000 2.108 273 M HA -0.157 4.323 4.480 0.000 0.000 0.261 273 M C 1.864 178.252 176.300 0.147 0.000 1.066 273 M CA 1.757 57.126 55.300 0.115 0.000 1.107 273 M CB 0.057 32.704 32.600 0.078 0.000 1.356 273 M HN 0.160 nan 8.290 nan 0.000 0.406 274 V N 1.000 120.991 119.914 0.128 0.000 2.261 274 V HA -0.312 3.808 4.120 0.000 0.000 0.246 274 V C 2.288 178.513 176.094 0.218 0.000 1.047 274 V CA 2.265 64.642 62.300 0.128 0.000 1.015 274 V CB -0.757 31.110 31.823 0.072 0.000 0.642 274 V HN 0.549 nan 8.190 nan 0.000 0.446 275 I N -0.359 120.347 120.570 0.226 0.000 2.264 275 I HA -0.206 3.964 4.170 0.000 0.000 0.248 275 I C 2.568 178.889 176.117 0.340 0.000 1.111 275 I CA 1.434 62.894 61.300 0.266 0.000 1.382 275 I CB -0.408 37.691 38.000 0.166 0.000 1.060 275 I HN 0.303 nan 8.210 nan 0.000 0.418 276 E N -0.281 120.090 120.200 0.285 0.000 2.285 276 E HA -0.167 4.183 4.350 0.000 0.000 0.194 276 E C 1.855 178.570 176.600 0.192 0.000 0.997 276 E CA 0.818 57.361 56.400 0.239 0.000 0.845 276 E CB -0.039 29.773 29.700 0.186 0.000 0.782 276 E HN 0.549 nan 8.360 nan 0.000 0.491 277 Y N 0.769 121.126 120.300 0.094 0.000 2.337 277 Y HA -0.023 4.527 4.550 0.000 0.000 0.293 277 Y C 2.135 178.075 175.900 0.066 0.000 1.123 277 Y CA 1.289 59.425 58.100 0.060 0.000 1.201 277 Y CB 0.049 38.528 38.460 0.032 0.000 1.011 277 Y HN -0.000 nan 8.280 nan 0.000 0.545 278 A N -0.014 122.927 122.820 0.201 0.000 2.016 278 A HA -0.049 4.271 4.320 0.000 0.000 0.217 278 A C 2.264 179.920 177.584 0.120 0.000 1.162 278 A CA 0.971 53.092 52.037 0.140 0.000 0.662 278 A CB -0.550 18.558 19.000 0.179 0.000 0.812 278 A HN 0.447 nan 8.150 nan 0.000 0.450 279 R N -0.145 120.448 120.500 0.154 0.000 2.075 279 R HA 0.018 4.358 4.340 0.000 0.000 0.232 279 R C 1.329 177.691 176.300 0.104 0.000 1.126 279 R CA 1.159 57.339 56.100 0.134 0.000 0.963 279 R CB -0.321 29.983 30.300 0.008 0.000 0.858 279 R HN 0.504 nan 8.270 nan 0.000 0.435 280 L N 0.270 121.497 121.223 0.007 0.000 2.675 280 L HA -0.020 4.320 4.340 0.000 0.000 0.238 280 L C 1.035 177.896 176.870 -0.016 0.000 1.155 280 L CA 0.799 55.620 54.840 -0.031 0.000 0.881 280 L CB -0.018 41.976 42.059 -0.108 0.000 1.008 280 L HN 0.141 nan 8.230 nan 0.000 0.443 281 R N -0.956 119.556 120.500 0.020 0.000 2.590 281 R HA 0.204 4.544 4.340 0.000 0.000 0.410 281 R C 0.966 177.351 176.300 0.141 0.000 1.010 281 R CA 0.320 56.451 56.100 0.051 0.000 1.155 281 R CB 1.053 31.317 30.300 -0.060 0.000 1.455 281 R HN 0.160 nan 8.270 nan 0.000 0.567 282 G N 1.603 110.544 108.800 0.234 0.000 2.283 282 G HA2 -0.293 3.667 3.960 0.000 0.000 0.280 282 G HA3 -0.293 3.667 3.960 0.000 0.000 0.280 282 G C -0.028 174.907 174.900 0.059 0.000 1.029 282 G CA 0.319 45.564 45.100 0.242 0.000 0.840 282 G HN 0.233 nan 8.290 nan 0.000 0.505 283 I N -0.220 120.394 120.570 0.074 0.000 2.392 283 I HA 0.473 4.643 4.170 0.000 0.000 0.295 283 I C 0.839 177.002 176.117 0.076 0.000 0.985 283 I CA -0.854 60.486 61.300 0.067 0.000 1.221 283 I CB 1.320 39.377 38.000 0.094 0.000 1.366 283 I HN 0.090 nan 8.210 nan 0.000 0.467 284 R N 4.645 125.177 120.500 0.054 0.000 2.297 284 R HA 0.528 4.868 4.340 0.000 0.000 0.308 284 R C -1.084 175.296 176.300 0.133 0.000 1.029 284 R CA -0.735 55.423 56.100 0.098 0.000 0.929 284 R CB 1.153 31.492 30.300 0.064 0.000 1.046 284 R HN 0.310 nan 8.270 nan 0.000 0.461 285 V N 5.239 125.268 119.914 0.192 0.000 2.334 285 V HA 0.128 4.248 4.120 0.000 0.000 0.267 285 V C -0.402 175.807 176.094 0.192 0.000 1.040 285 V CA -0.567 61.876 62.300 0.238 0.000 0.866 285 V CB 0.815 32.865 31.823 0.380 0.000 1.019 285 V HN 0.484 nan 8.190 nan 0.000 0.468 286 L N 9.542 130.829 121.223 0.107 0.000 2.259 286 L HA 0.620 4.961 4.340 0.000 0.000 0.288 286 L C -2.201 174.594 176.870 -0.125 0.000 1.051 286 L CA -1.508 53.330 54.840 -0.005 0.000 0.824 286 L CB 1.148 43.197 42.059 -0.016 0.000 1.206 286 L HN 0.342 nan 8.230 nan 0.000 0.429 287 P HA 0.168 nan 4.420 nan 0.000 0.277 287 P C -1.238 175.825 177.300 -0.395 0.000 1.240 287 P CA -0.288 62.464 63.100 -0.579 0.000 0.798 287 P CB 1.125 32.031 31.700 -1.323 0.000 0.979 288 E N 1.782 121.692 120.200 -0.484 0.000 2.199 288 E HA 0.401 4.751 4.350 0.000 0.000 0.265 288 E C -1.539 174.717 176.600 -0.574 0.000 0.882 288 E CA -0.651 55.554 56.400 -0.324 0.000 0.759 288 E CB 0.790 30.368 29.700 -0.204 0.000 1.148 288 E HN 0.259 nan 8.360 nan 0.000 0.412 289 F N 3.292 123.247 119.950 0.009 0.000 2.451 289 F HA 0.183 4.710 4.527 0.000 0.000 0.367 289 F C 0.242 176.223 175.800 0.303 0.000 1.100 289 F CA -0.904 57.218 58.000 0.203 0.000 1.171 289 F CB 0.893 40.155 39.000 0.436 0.000 1.405 289 F HN 0.347 nan 8.300 nan 0.000 0.482 290 D N 2.745 123.287 120.400 0.237 0.000 2.450 290 D HA 0.199 4.839 4.640 0.000 0.000 0.247 290 D C -0.027 176.377 176.300 0.173 0.000 1.162 290 D CA 0.714 54.858 54.000 0.240 0.000 0.879 290 D CB 0.967 41.902 40.800 0.224 0.000 1.163 290 D HN 0.550 nan 8.370 nan 0.000 0.472 291 T N 0.761 115.428 114.554 0.189 0.000 2.868 291 T HA 0.455 4.805 4.350 0.000 0.000 0.306 291 T C -2.381 172.427 174.700 0.180 0.000 1.224 291 T CA -1.169 60.974 62.100 0.072 0.000 1.012 291 T CB 2.177 71.148 68.868 0.172 0.000 1.221 291 T HN 0.080 nan 8.240 nan 0.000 0.499 292 P HA 0.198 nan 4.420 nan 0.000 0.240 292 P C 0.962 178.114 177.300 -0.247 0.000 1.190 292 P CA 0.299 63.225 63.100 -0.290 0.000 0.781 292 P CB -0.221 31.131 31.700 -0.580 0.000 0.931 293 G N -0.397 108.319 108.800 -0.141 0.000 2.621 293 G HA2 0.086 4.047 3.960 0.000 0.000 0.271 293 G HA3 0.086 4.047 3.960 0.000 0.000 0.271 293 G C -0.171 174.710 174.900 -0.032 0.000 1.236 293 G CA -0.237 44.760 45.100 -0.172 0.000 0.958 293 G HN 0.300 nan 8.290 nan 0.000 0.512 294 H N -1.420 117.577 119.070 -0.122 0.000 2.692 294 H HA -0.183 4.373 4.556 0.000 0.000 0.316 294 H C 1.023 176.338 175.328 -0.022 0.000 1.176 294 H CA 1.199 57.226 56.048 -0.035 0.000 1.142 294 H CB -1.934 27.862 29.762 0.057 0.000 1.475 294 H HN 0.678 nan 8.280 nan 0.000 0.423 295 T N -3.657 110.859 114.554 -0.062 0.000 3.144 295 T HA 0.264 4.614 4.350 0.000 0.000 0.290 295 T C 1.751 176.468 174.700 0.028 0.000 0.966 295 T CA -0.180 61.806 62.100 -0.189 0.000 0.907 295 T CB 0.138 68.579 68.868 -0.712 0.000 1.152 295 T HN 0.176 nan 8.240 nan 0.000 0.532 296 L N 2.282 123.527 121.223 0.036 0.000 2.263 296 L HA -0.135 4.206 4.340 0.000 0.000 0.216 296 L C 2.846 179.776 176.870 0.100 0.000 1.111 296 L CA 1.721 56.584 54.840 0.038 0.000 0.773 296 L CB -0.515 41.561 42.059 0.027 0.000 0.906 296 L HN 0.530 nan 8.230 nan 0.000 0.439 297 S N -2.101 113.739 115.700 0.234 0.000 2.470 297 S HA -0.117 4.354 4.470 0.000 0.000 0.225 297 S C 1.483 176.217 174.600 0.223 0.000 1.006 297 S CA -0.028 58.305 58.200 0.222 0.000 0.934 297 S CB -0.505 62.846 63.200 0.251 0.000 0.778 297 S HN 0.434 nan 8.310 nan 0.000 0.517 298 W N 2.546 123.834 121.300 -0.021 0.000 2.388 298 W HA 0.297 4.958 4.660 0.001 0.000 0.294 298 W C 2.460 178.797 176.519 -0.304 0.000 1.212 298 W CA 0.392 57.632 57.345 -0.175 0.000 1.271 298 W CB -1.160 28.224 29.460 -0.127 0.000 1.126 298 W HN 0.444 nan 8.180 nan 0.000 0.535 299 G N -0.024 108.742 108.800 -0.056 0.000 3.124 299 G HA2 -0.079 3.881 3.960 0.000 0.000 0.212 299 G HA3 -0.079 3.881 3.960 0.000 0.000 0.212 299 G C 1.515 176.270 174.900 -0.242 0.000 1.181 299 G CA 0.036 44.978 45.100 -0.263 0.000 0.803 299 G HN 0.020 nan 8.290 nan 0.000 0.529 300 K N 0.374 120.689 120.400 -0.142 0.000 2.167 300 K HA 0.024 4.344 4.320 0.000 0.000 0.203 300 K C 2.012 178.539 176.600 -0.122 0.000 1.052 300 K CA 0.974 57.199 56.287 -0.104 0.000 0.956 300 K CB 0.298 32.764 32.500 -0.056 0.000 0.735 300 K HN 0.283 nan 8.250 nan 0.000 0.451 301 G N 0.116 108.814 108.800 -0.170 0.000 3.695 301 G HA2 0.004 3.965 3.960 0.000 0.000 0.277 301 G HA3 0.004 3.965 3.960 0.000 0.000 0.277 301 G C -0.183 174.601 174.900 -0.194 0.000 1.001 301 G CA -0.045 44.959 45.100 -0.161 0.000 0.837 301 G HN 0.043 nan 8.290 nan 0.000 0.492 302 Q N 1.505 121.145 119.800 -0.266 0.000 2.616 302 Q HA 0.333 4.674 4.340 0.000 0.000 0.250 302 Q C -0.283 175.518 176.000 -0.332 0.000 0.991 302 Q CA -0.430 55.154 55.803 -0.366 0.000 0.707 302 Q CB 0.434 28.778 28.738 -0.657 0.000 1.247 302 Q HN 0.202 nan 8.270 nan 0.000 0.491 303 K N 2.437 122.698 120.400 -0.231 0.000 2.524 303 K HA -0.024 4.296 4.320 0.000 0.000 0.279 303 K C -0.170 176.306 176.600 -0.207 0.000 0.993 303 K CA 0.433 56.606 56.287 -0.190 0.000 1.030 303 K CB 0.389 32.825 32.500 -0.105 0.000 0.891 303 K HN 0.631 nan 8.250 nan 0.000 0.488 304 D N 0.515 120.798 120.400 -0.195 0.000 3.006 304 D HA -0.215 4.425 4.640 0.000 0.000 0.208 304 D C 0.823 177.009 176.300 -0.191 0.000 1.116 304 D CA 0.992 54.903 54.000 -0.148 0.000 0.998 304 D CB -0.612 40.142 40.800 -0.076 0.000 1.124 304 D HN 0.489 nan 8.370 nan 0.000 0.413 305 L N 0.273 121.322 121.223 -0.290 0.000 2.141 305 L HA 0.061 4.401 4.340 0.000 0.000 0.209 305 L C 0.793 177.511 176.870 -0.252 0.000 1.094 305 L CA 1.362 56.010 54.840 -0.320 0.000 0.763 305 L CB 0.062 41.832 42.059 -0.482 0.000 0.908 305 L HN 0.099 nan 8.230 nan 0.000 0.437 306 L N 0.530 121.582 121.223 -0.286 0.000 2.275 306 L HA 0.245 4.586 4.340 0.000 0.000 0.288 306 L C 0.308 177.137 176.870 -0.068 0.000 1.046 306 L CA -0.564 54.142 54.840 -0.225 0.000 0.805 306 L CB 1.143 42.965 42.059 -0.394 0.000 1.193 306 L HN -0.113 nan 8.230 nan 0.000 0.426 307 T N 5.405 119.989 114.554 0.050 0.000 2.822 307 T HA 0.052 4.403 4.350 0.000 0.000 0.288 307 T C -2.242 172.556 174.700 0.163 0.000 0.991 307 T CA -0.412 61.772 62.100 0.139 0.000 1.176 307 T CB -0.045 69.006 68.868 0.306 0.000 0.951 307 T HN 0.338 nan 8.240 nan 0.000 0.526 308 P HA 0.285 nan 4.420 nan 0.000 0.285 308 P C -0.620 176.509 177.300 -0.284 0.000 1.259 308 P CA -0.699 62.381 63.100 -0.033 0.000 0.794 308 P CB 0.531 32.108 31.700 -0.204 0.000 0.940 309 c N 4.258 122.675 118.600 -0.304 0.000 2.464 309 c HA 0.321 4.891 4.570 0.000 0.000 0.370 309 c C 0.478 174.401 174.090 -0.279 0.000 1.267 309 c CA -0.005 56.185 56.329 -0.231 0.000 1.781 309 c CB -2.000 40.409 42.510 -0.168 0.000 2.431 309 c HN 0.500 nan 8.230 nan 0.000 0.556 310 Y N 2.267 122.556 120.300 -0.017 0.000 2.432 310 Y HA 0.510 5.061 4.550 0.000 0.000 0.322 310 Y C 1.053 176.942 175.900 -0.018 0.000 1.246 310 Y CA 0.333 58.423 58.100 -0.017 0.000 1.268 310 Y CB 1.070 39.536 38.460 0.010 0.000 1.276 310 Y HN 0.863 nan 8.280 nan 0.000 0.499 318 S N -0.721 114.778 115.700 -0.335 0.000 2.634 318 S HA 0.765 5.235 4.470 0.000 0.000 0.261 318 S C 0.120 174.404 174.600 -0.526 0.000 1.271 318 S CA -0.489 57.499 58.200 -0.353 0.000 0.985 318 S CB 0.782 63.881 63.200 -0.169 0.000 0.968 318 S HN 0.196 nan 8.310 nan 0.000 0.568 319 F N -0.816 119.070 119.950 -0.108 0.000 2.611 319 F HA 0.798 5.325 4.527 0.000 0.000 0.374 319 F C 1.183 176.898 175.800 -0.143 0.000 1.110 319 F CA -0.172 57.753 58.000 -0.125 0.000 1.090 319 F CB 1.071 40.006 39.000 -0.109 0.000 1.388 319 F HN 0.908 nan 8.300 nan 0.000 0.501 320 G N -0.731 108.124 108.800 0.092 0.000 3.252 320 G HA2 0.636 4.596 3.960 0.000 0.000 0.181 320 G HA3 0.636 4.596 3.960 0.000 0.000 0.181 320 G C -2.876 171.931 174.900 -0.155 0.000 1.187 320 G CA -1.256 43.787 45.100 -0.095 0.000 0.886 320 G HN 0.305 nan 8.290 nan 0.000 0.615 321 P HA 0.335 nan 4.420 nan 0.000 0.293 321 P C -0.075 177.164 177.300 -0.102 0.000 1.298 321 P CA -0.596 62.332 63.100 -0.287 0.000 0.757 321 P CB 0.527 31.900 31.700 -0.546 0.000 1.262 322 I N 0.252 120.734 120.570 -0.147 0.000 2.754 322 I HA 0.011 4.182 4.170 0.000 0.000 0.285 322 I C 1.061 177.196 176.117 0.030 0.000 1.166 322 I CA 0.087 61.297 61.300 -0.149 0.000 1.417 322 I CB -0.190 37.631 38.000 -0.299 0.000 1.382 322 I HN 0.248 nan 8.210 nan 0.000 0.588 323 N N 7.624 126.301 118.700 -0.039 0.000 2.415 323 N HA 0.181 4.922 4.740 0.000 0.000 0.246 323 N C -1.836 173.585 175.510 -0.147 0.000 1.078 323 N CA -2.150 50.872 53.050 -0.047 0.000 0.942 323 N CB 0.853 39.312 38.487 -0.046 0.000 1.140 323 N HN 0.272 nan 8.380 nan 0.000 0.501 324 P HA 0.054 nan 4.420 nan 0.000 0.249 324 P C 0.746 177.997 177.300 -0.081 0.000 1.229 324 P CA 0.490 63.563 63.100 -0.045 0.000 0.788 324 P CB 0.127 31.786 31.700 -0.070 0.000 1.072 325 T N -3.261 111.089 114.554 -0.340 0.000 3.035 325 T HA 0.128 4.478 4.350 0.000 0.000 0.259 325 T C 0.854 175.508 174.700 -0.076 0.000 1.078 325 T CA 0.135 61.855 62.100 -0.635 0.000 1.132 325 T CB -0.524 68.021 68.868 -0.538 0.000 0.900 325 T HN -0.040 nan 8.240 nan 0.000 0.480 326 L N 3.299 124.546 121.223 0.039 0.000 2.375 326 L HA 0.400 4.740 4.340 0.000 0.000 0.271 326 L C 1.229 178.260 176.870 0.268 0.000 1.107 326 L CA -0.744 54.175 54.840 0.131 0.000 0.806 326 L CB 0.982 43.074 42.059 0.056 0.000 1.146 326 L HN 0.373 nan 8.230 nan 0.000 0.447 327 N N 0.160 119.026 118.700 0.277 0.000 2.276 327 N HA -0.048 4.692 4.740 0.000 0.000 0.212 327 N C 0.681 176.327 175.510 0.228 0.000 1.127 327 N CA 0.204 53.459 53.050 0.341 0.000 0.834 327 N CB 0.180 38.832 38.487 0.276 0.000 1.014 327 N HN 0.663 nan 8.380 nan 0.000 0.491 328 T N -0.167 114.476 114.554 0.149 0.000 2.639 328 T HA -0.153 4.198 4.350 0.000 0.000 0.261 328 T C 1.871 176.640 174.700 0.114 0.000 1.053 328 T CA 1.894 64.060 62.100 0.110 0.000 1.158 328 T CB -1.019 67.875 68.868 0.043 0.000 0.863 328 T HN 0.130 nan 8.240 nan 0.000 0.413 329 T N 1.684 116.247 114.554 0.014 0.000 2.602 329 T HA -0.251 4.100 4.350 0.000 0.000 0.264 329 T C 1.732 176.432 174.700 -0.001 0.000 1.085 329 T CA 2.360 64.409 62.100 -0.085 0.000 1.164 329 T CB -0.923 67.748 68.868 -0.329 0.000 0.860 329 T HN 0.552 nan 8.240 nan 0.000 0.442 330 Y N 1.251 121.642 120.300 0.151 0.000 2.457 330 Y HA 0.008 4.558 4.550 0.000 0.000 0.292 330 Y C 2.934 178.909 175.900 0.125 0.000 1.125 330 Y CA 0.796 58.966 58.100 0.116 0.000 1.254 330 Y CB -0.457 38.039 38.460 0.059 0.000 1.012 330 Y HN 0.343 nan 8.280 nan 0.000 0.555 331 S N -0.430 115.438 115.700 0.281 0.000 2.406 331 S HA -0.198 4.272 4.470 0.000 0.000 0.228 331 S C 1.887 176.636 174.600 0.249 0.000 1.020 331 S CA 0.676 59.014 58.200 0.229 0.000 0.965 331 S CB -1.005 62.317 63.200 0.204 0.000 0.798 331 S HN 0.448 nan 8.310 nan 0.000 0.488 332 F N 2.653 122.658 119.950 0.090 0.000 2.084 332 F HA 0.193 4.720 4.527 0.000 0.000 0.296 332 F C 1.868 177.668 175.800 -0.001 0.000 1.111 332 F CA 1.182 59.188 58.000 0.010 0.000 1.224 332 F CB -0.474 38.430 39.000 -0.161 0.000 0.991 332 F HN 0.124 nan 8.300 nan 0.000 0.471 333 L N -0.013 121.156 121.223 -0.090 0.000 2.265 333 L HA -0.202 4.138 4.340 0.000 0.000 0.215 333 L C 2.118 179.021 176.870 0.055 0.000 1.117 333 L CA 1.430 56.186 54.840 -0.140 0.000 0.782 333 L CB -1.108 41.008 42.059 0.094 0.000 0.914 333 L HN 0.287 nan 8.230 nan 0.000 0.441 334 T N -1.320 113.303 114.554 0.115 0.000 2.671 334 T HA -0.156 4.194 4.350 0.000 0.000 0.250 334 T C 1.975 176.748 174.700 0.123 0.000 1.068 334 T CA 1.811 64.002 62.100 0.153 0.000 1.177 334 T CB -0.646 68.306 68.868 0.140 0.000 0.876 334 T HN 0.486 nan 8.240 nan 0.000 0.405 335 T N 1.172 115.805 114.554 0.131 0.000 2.714 335 T HA -0.232 4.118 4.350 0.000 0.000 0.268 335 T C 1.712 176.507 174.700 0.158 0.000 1.036 335 T CA 1.511 63.702 62.100 0.152 0.000 1.148 335 T CB -0.987 68.018 68.868 0.229 0.000 0.856 335 T HN 0.277 nan 8.240 nan 0.000 0.462 336 F N 1.303 121.203 119.950 -0.083 0.000 2.060 336 F HA 0.124 4.651 4.527 0.000 0.000 0.295 336 F C 1.829 177.481 175.800 -0.248 0.000 1.120 336 F CA 0.826 58.663 58.000 -0.271 0.000 1.205 336 F CB -0.454 38.026 39.000 -0.865 0.000 0.986 336 F HN 0.072 nan 8.300 nan 0.000 0.470 337 F N 0.850 120.761 119.950 -0.065 0.000 2.451 337 F HA -0.072 4.456 4.527 0.001 0.000 0.299 337 F C 2.322 178.024 175.800 -0.162 0.000 1.101 337 F CA 0.855 58.760 58.000 -0.158 0.000 1.436 337 F CB -0.804 38.184 39.000 -0.021 0.000 1.074 337 F HN -0.033 nan 8.300 nan 0.000 0.553 338 K N 0.793 121.223 120.400 0.051 0.000 2.103 338 K HA -0.171 4.150 4.320 0.000 0.000 0.204 338 K C 2.084 178.655 176.600 -0.048 0.000 1.052 338 K CA 1.056 57.348 56.287 0.008 0.000 0.945 338 K CB -0.164 32.348 32.500 0.020 0.000 0.722 338 K HN 0.363 nan 8.250 nan 0.000 0.443 339 E N 0.574 120.705 120.200 -0.116 0.000 2.031 339 E HA -0.172 4.178 4.350 0.000 0.000 0.193 339 E C 1.955 178.464 176.600 -0.150 0.000 0.994 339 E CA 0.966 57.278 56.400 -0.146 0.000 0.800 339 E CB 0.038 29.619 29.700 -0.198 0.000 0.752 339 E HN 0.100 nan 8.360 nan 0.000 0.447 340 I N 1.587 121.992 120.570 -0.275 0.000 2.194 340 I HA -0.272 3.899 4.170 0.000 0.000 0.246 340 I C 2.450 178.594 176.117 0.046 0.000 1.093 340 I CA 1.232 62.451 61.300 -0.136 0.000 1.355 340 I CB -1.609 36.235 38.000 -0.260 0.000 1.046 340 I HN 0.095 nan 8.210 nan 0.000 0.413 341 S N 0.410 116.108 115.700 -0.003 0.000 2.387 341 S HA -0.228 4.242 4.470 0.000 0.000 0.230 341 S C 1.791 176.384 174.600 -0.012 0.000 1.035 341 S CA 1.569 59.766 58.200 -0.005 0.000 1.014 341 S CB -0.301 62.886 63.200 -0.021 0.000 0.836 341 S HN 0.572 nan 8.310 nan 0.000 0.466 342 E N -0.158 120.027 120.200 -0.025 0.000 2.447 342 E HA 0.097 4.448 4.350 0.000 0.000 0.195 342 E C 1.653 178.212 176.600 -0.068 0.000 1.028 342 E CA 0.051 56.425 56.400 -0.043 0.000 0.876 342 E CB 0.260 29.937 29.700 -0.039 0.000 0.885 342 E HN 0.256 nan 8.360 nan 0.000 0.500 343 V N 0.178 120.053 119.914 -0.065 0.000 2.500 343 V HA -0.012 4.108 4.120 0.000 0.000 0.243 343 V C 0.349 176.218 176.094 -0.375 0.000 1.039 343 V CA 0.992 63.172 62.300 -0.201 0.000 1.053 343 V CB 0.003 31.720 31.823 -0.177 0.000 0.695 343 V HN 0.091 nan 8.190 nan 0.000 0.463 344 F N 1.665 121.567 119.950 -0.080 0.000 2.347 344 F HA 0.433 4.960 4.527 0.001 0.000 0.366 344 F C -1.596 174.105 175.800 -0.165 0.000 1.107 344 F CA -2.116 55.825 58.000 -0.098 0.000 1.058 344 F CB 1.338 40.314 39.000 -0.040 0.000 1.236 344 F HN 0.010 nan 8.300 nan 0.000 0.456 345 P HA -0.056 nan 4.420 nan 0.000 0.245 345 P C -0.088 177.109 177.300 -0.172 0.000 1.212 345 P CA 0.362 63.277 63.100 -0.309 0.000 0.774 345 P CB 0.051 31.226 31.700 -0.874 0.000 0.999 346 D N -0.250 120.121 120.400 -0.049 0.000 2.372 346 D HA 0.031 4.672 4.640 0.000 0.000 0.243 346 D C 1.482 177.765 176.300 -0.028 0.000 1.121 346 D CA 0.005 54.017 54.000 0.019 0.000 0.898 346 D CB 0.814 41.670 40.800 0.094 0.000 1.202 346 D HN -0.127 nan 8.370 nan 0.000 0.428 347 Q N 1.200 120.959 119.800 -0.068 0.000 2.124 347 Q HA -0.024 4.316 4.340 0.000 0.000 0.202 347 Q C -0.164 175.550 176.000 -0.476 0.000 0.977 347 Q CA 1.011 56.621 55.803 -0.321 0.000 0.850 347 Q CB 0.121 28.558 28.738 -0.502 0.000 0.901 347 Q HN 0.483 nan 8.270 nan 0.000 0.429 348 F N -0.484 119.434 119.950 -0.054 0.000 2.470 348 F HA 0.477 5.004 4.527 0.000 0.000 0.329 348 F C -0.156 175.573 175.800 -0.118 0.000 1.072 348 F CA -0.919 57.024 58.000 -0.096 0.000 0.989 348 F CB 1.158 40.093 39.000 -0.109 0.000 1.193 348 F HN -0.187 nan 8.300 nan 0.000 0.481 349 I N 1.246 121.829 120.570 0.022 0.000 2.478 349 I HA 0.202 4.372 4.170 0.000 0.000 0.287 349 I C -0.808 175.263 176.117 -0.077 0.000 1.042 349 I CA -0.592 60.675 61.300 -0.056 0.000 1.067 349 I CB 1.851 39.780 38.000 -0.119 0.000 1.233 349 I HN 0.618 nan 8.210 nan 0.000 0.431 350 H N 5.885 124.854 119.070 -0.168 0.000 2.742 350 H HA 0.307 4.863 4.556 0.000 0.000 0.302 350 H C 0.451 175.731 175.328 -0.081 0.000 1.069 350 H CA -0.136 55.780 56.048 -0.219 0.000 1.446 350 H CB 1.035 30.560 29.762 -0.395 0.000 1.462 350 H HN 0.575 nan 8.280 nan 0.000 0.499 351 L N 3.978 125.280 121.223 0.130 0.000 2.463 351 L HA 0.249 4.589 4.340 0.000 0.000 0.219 351 L C 1.845 178.900 176.870 0.308 0.000 1.088 351 L CA 0.505 55.469 54.840 0.207 0.000 0.849 351 L CB -0.055 42.045 42.059 0.068 0.000 1.012 351 L HN 1.025 nan 8.230 nan 0.000 0.468 352 G N 0.554 109.568 108.800 0.358 0.000 3.127 352 G HA2 -0.217 3.743 3.960 0.000 0.000 0.280 352 G HA3 -0.217 3.743 3.960 0.000 0.000 0.280 352 G C 0.798 175.976 174.900 0.463 0.000 1.491 352 G CA -0.053 45.276 45.100 0.383 0.000 1.029 352 G HN 0.908 nan 8.290 nan 0.000 0.582 353 G N 0.525 109.583 108.800 0.430 0.000 2.289 353 G HA2 0.248 4.208 3.960 0.000 0.000 0.280 353 G HA3 0.248 4.208 3.960 0.000 0.000 0.280 353 G C -0.107 175.026 174.900 0.389 0.000 1.089 353 G CA 1.384 46.707 45.100 0.372 0.000 0.939 353 G HN 2.135 nan 8.290 nan 0.000 0.499 354 D N -0.961 119.654 120.400 0.358 0.000 2.350 354 D HA 0.495 5.135 4.640 0.000 0.000 0.238 354 D C 0.476 176.850 176.300 0.123 0.000 0.989 354 D CA -0.902 53.221 54.000 0.205 0.000 0.921 354 D CB 0.619 41.300 40.800 -0.197 0.000 1.297 354 D HN 0.304 nan 8.370 nan 0.000 0.490 355 E N -0.579 119.668 120.200 0.078 0.000 2.238 355 E HA -0.140 4.211 4.350 0.000 0.000 0.219 355 E C -0.484 175.993 176.600 -0.204 0.000 1.275 355 E CA 0.263 56.638 56.400 -0.041 0.000 0.714 355 E CB -1.177 28.495 29.700 -0.047 0.000 1.154 355 E HN 0.335 nan 8.360 nan 0.000 0.363 356 V N 1.001 120.766 119.914 -0.248 0.000 2.415 356 V HA 0.050 4.170 4.120 0.000 0.000 0.267 356 V C 0.849 176.448 176.094 -0.826 0.000 1.042 356 V CA 0.250 62.287 62.300 -0.439 0.000 1.000 356 V CB 0.813 32.478 31.823 -0.263 0.000 1.015 356 V HN 0.189 nan 8.190 nan 0.000 0.478 357 E N 3.555 123.321 120.200 -0.723 0.000 2.152 357 E HA 0.277 4.627 4.350 0.000 0.000 0.285 357 E C -0.285 175.894 176.600 -0.702 0.000 1.043 357 E CA -0.328 55.662 56.400 -0.684 0.000 0.839 357 E CB 0.745 30.170 29.700 -0.458 0.000 1.069 357 E HN 0.649 nan 8.360 nan 0.000 0.399 358 F N 2.167 121.893 119.950 -0.373 0.000 2.797 358 F HA 0.026 4.553 4.527 0.000 0.000 0.302 358 F C 2.097 177.661 175.800 -0.394 0.000 1.130 358 F CA -0.005 57.762 58.000 -0.388 0.000 1.387 358 F CB -0.240 38.594 39.000 -0.276 0.000 1.107 358 F HN 0.358 nan 8.300 nan 0.000 0.577 359 K N 0.358 120.647 120.400 -0.185 0.000 2.032 359 K HA -0.210 4.111 4.320 0.000 0.000 0.209 359 K C 2.301 178.828 176.600 -0.122 0.000 1.048 359 K CA 1.727 57.925 56.287 -0.148 0.000 0.927 359 K CB -0.877 31.536 32.500 -0.146 0.000 0.712 359 K HN 0.391 nan 8.250 nan 0.000 0.441 360 c N 0.195 118.705 118.600 -0.149 0.000 2.500 360 c HA -0.024 4.546 4.570 0.000 0.000 0.279 360 c C 2.509 176.656 174.090 0.094 0.000 1.288 360 c CA 0.008 56.298 56.329 -0.065 0.000 1.710 360 c CB -1.286 41.153 42.510 -0.118 0.000 2.052 360 c HN 0.632 nan 8.230 nan 0.000 0.488 361 W N 1.230 122.507 121.300 -0.038 0.000 2.318 361 W HA -0.135 4.525 4.660 0.000 0.000 0.313 361 W C 2.485 179.030 176.519 0.043 0.000 1.221 361 W CA 1.591 58.959 57.345 0.038 0.000 1.266 361 W CB -1.487 28.044 29.460 0.118 0.000 1.150 361 W HN 0.501 nan 8.180 nan 0.000 0.496 362 E N 0.144 120.335 120.200 -0.014 0.000 2.085 362 E HA -0.190 4.160 4.350 0.000 0.000 0.194 362 E C 1.743 178.426 176.600 0.138 0.000 0.994 362 E CA 1.895 58.263 56.400 -0.054 0.000 0.801 362 E CB -0.266 29.249 29.700 -0.309 0.000 0.743 362 E HN 0.147 nan 8.360 nan 0.000 0.453 363 S N -0.257 115.510 115.700 0.110 0.000 2.685 363 S HA 0.089 4.560 4.470 0.000 0.000 0.240 363 S C -0.083 174.644 174.600 0.211 0.000 0.967 363 S CA -0.525 57.756 58.200 0.135 0.000 1.009 363 S CB -0.497 62.758 63.200 0.093 0.000 0.776 363 S HN 0.154 nan 8.310 nan 0.000 0.467 364 N N 1.905 120.751 118.700 0.243 0.000 2.479 364 N HA 0.335 5.076 4.740 0.000 0.000 0.261 364 N C -1.965 173.687 175.510 0.237 0.000 0.979 364 N CA -2.388 50.839 53.050 0.294 0.000 0.930 364 N CB 1.806 40.458 38.487 0.275 0.000 1.172 364 N HN 0.029 nan 8.380 nan 0.000 0.499 365 P HA -0.207 nan 4.420 nan 0.000 0.215 365 P C 0.798 178.179 177.300 0.135 0.000 1.157 365 P CA 1.360 64.536 63.100 0.126 0.000 0.868 365 P CB 0.322 32.056 31.700 0.057 0.000 0.788 366 K N -0.219 120.274 120.400 0.155 0.000 2.103 366 K HA -0.074 4.246 4.320 0.000 0.000 0.207 366 K C 2.329 179.020 176.600 0.152 0.000 1.048 366 K CA 1.092 57.466 56.287 0.144 0.000 0.930 366 K CB -0.880 31.710 32.500 0.150 0.000 0.716 366 K HN 0.314 nan 8.250 nan 0.000 0.444 367 I N 0.961 121.621 120.570 0.151 0.000 2.439 367 I HA -0.226 3.944 4.170 0.000 0.000 0.251 367 I C 2.284 178.504 176.117 0.170 0.000 1.139 367 I CA 0.934 62.310 61.300 0.127 0.000 1.438 367 I CB -0.246 37.815 38.000 0.102 0.000 1.085 367 I HN 0.178 nan 8.210 nan 0.000 0.427 368 Q N 0.620 120.526 119.800 0.175 0.000 2.291 368 Q HA -0.193 4.148 4.340 0.000 0.000 0.205 368 Q C 1.507 177.570 176.000 0.105 0.000 0.970 368 Q CA 1.201 57.093 55.803 0.148 0.000 0.876 368 Q CB 0.032 28.858 28.738 0.147 0.000 0.935 368 Q HN 0.506 nan 8.270 nan 0.000 0.455 369 D N 0.016 120.486 120.400 0.116 0.000 2.103 369 D HA -0.141 4.499 4.640 0.000 0.000 0.199 369 D C 1.391 177.738 176.300 0.080 0.000 0.978 369 D CA 0.750 54.799 54.000 0.081 0.000 0.829 369 D CB -0.417 40.434 40.800 0.084 0.000 0.981 369 D HN 0.147 nan 8.370 nan 0.000 0.464 370 F N 1.269 121.214 119.950 -0.008 0.000 2.192 370 F HA -0.217 4.310 4.527 0.000 0.000 0.301 370 F C 2.256 178.035 175.800 -0.035 0.000 1.079 370 F CA 1.135 59.120 58.000 -0.024 0.000 1.303 370 F CB -0.012 38.985 39.000 -0.005 0.000 1.024 370 F HN -0.150 nan 8.300 nan 0.000 0.494 371 M N -0.202 119.496 119.600 0.163 0.000 2.296 371 M HA -0.127 4.353 4.480 0.000 0.000 0.265 371 M C 1.962 178.230 176.300 -0.053 0.000 1.064 371 M CA 1.496 56.849 55.300 0.088 0.000 1.109 371 M CB -0.964 31.620 32.600 -0.028 0.000 1.396 371 M HN 0.223 nan 8.290 nan 0.000 0.430 372 R N -0.507 119.943 120.500 -0.084 0.000 2.090 372 R HA -0.015 4.325 4.340 0.000 0.000 0.219 372 R C 2.080 178.249 176.300 -0.219 0.000 1.100 372 R CA 0.525 56.547 56.100 -0.130 0.000 0.991 372 R CB -0.486 29.765 30.300 -0.082 0.000 0.893 372 R HN 0.193 nan 8.270 nan 0.000 0.443 373 Q N 1.116 120.762 119.800 -0.256 0.000 2.242 373 Q HA -0.146 4.194 4.340 0.000 0.000 0.211 373 Q C 1.234 176.947 176.000 -0.477 0.000 0.992 373 Q CA 1.692 57.276 55.803 -0.365 0.000 0.889 373 Q CB 0.190 28.634 28.738 -0.491 0.000 0.913 373 Q HN 0.152 nan 8.270 nan 0.000 0.422 374 K N -2.625 117.418 120.400 -0.594 0.000 2.373 374 K HA 0.296 4.616 4.320 0.000 0.000 0.200 374 K C 0.711 176.841 176.600 -0.783 0.000 1.054 374 K CA 0.674 56.477 56.287 -0.806 0.000 1.065 374 K CB 1.059 32.805 32.500 -1.256 0.000 0.886 374 K HN 0.205 nan 8.250 nan 0.000 0.546 375 G N 2.190 110.680 108.800 -0.517 0.000 2.198 375 G HA2 -0.258 3.702 3.960 0.000 0.000 0.257 375 G HA3 -0.258 3.702 3.960 0.000 0.000 0.257 375 G C 0.383 175.108 174.900 -0.291 0.000 1.042 375 G CA -0.019 44.878 45.100 -0.337 0.000 0.791 375 G HN 0.190 nan 8.290 nan 0.000 0.502 376 F N 0.565 120.415 119.950 -0.165 0.000 2.502 376 F HA 0.302 4.829 4.527 0.000 0.000 0.298 376 F C 2.414 178.111 175.800 -0.172 0.000 1.111 376 F CA 1.589 59.486 58.000 -0.172 0.000 1.445 376 F CB -0.353 38.518 39.000 -0.216 0.000 1.081 376 F HN 0.937 nan 8.300 nan 0.000 0.558 377 G N 0.463 109.260 108.800 -0.005 0.000 2.559 377 G HA2 -0.341 3.619 3.960 0.000 0.000 0.282 377 G HA3 -0.341 3.619 3.960 0.000 0.000 0.282 377 G C 0.693 175.541 174.900 -0.086 0.000 1.177 377 G CA 0.611 45.690 45.100 -0.036 0.000 0.960 377 G HN 0.541 nan 8.290 nan 0.000 0.540 378 T N -2.229 112.272 114.554 -0.088 0.000 3.442 378 T HA 0.484 4.835 4.350 0.000 0.000 0.295 378 T C -0.416 174.210 174.700 -0.124 0.000 1.007 378 T CA 0.898 62.914 62.100 -0.140 0.000 0.962 378 T CB 0.871 69.804 68.868 0.108 0.000 1.187 378 T HN 0.603 nan 8.240 nan 0.000 0.490 379 D N 0.835 121.129 120.400 -0.177 0.000 2.411 379 D HA 0.359 5.000 4.640 0.000 0.000 0.225 379 D C 0.237 176.348 176.300 -0.315 0.000 1.156 379 D CA -1.095 52.831 54.000 -0.123 0.000 0.874 379 D CB -0.004 40.766 40.800 -0.050 0.000 1.034 379 D HN 0.253 nan 8.370 nan 0.000 0.502 380 F N 2.148 121.892 119.950 -0.344 0.000 2.558 380 F HA 0.068 4.595 4.527 0.000 0.000 0.298 380 F C 2.178 177.580 175.800 -0.663 0.000 1.119 380 F CA 0.270 57.921 58.000 -0.581 0.000 1.451 380 F CB 0.070 38.572 39.000 -0.830 0.000 1.091 380 F HN 0.294 nan 8.300 nan 0.000 0.563 381 K N 0.681 120.887 120.400 -0.324 0.000 2.089 381 K HA -0.245 4.075 4.320 0.000 0.000 0.210 381 K C 1.872 178.434 176.600 -0.064 0.000 1.048 381 K CA 1.717 57.969 56.287 -0.059 0.000 0.926 381 K CB -0.195 32.320 32.500 0.024 0.000 0.714 381 K HN 0.285 nan 8.250 nan 0.000 0.448 382 K N 0.570 120.846 120.400 -0.208 0.000 2.007 382 K HA -0.107 4.214 4.320 0.000 0.000 0.206 382 K C 2.085 178.354 176.600 -0.551 0.000 1.047 382 K CA 0.851 56.938 56.287 -0.335 0.000 0.937 382 K CB -0.240 32.023 32.500 -0.395 0.000 0.718 382 K HN -0.009 nan 8.250 nan 0.000 0.438 383 L N 2.007 122.783 121.223 -0.744 0.000 2.129 383 L HA -0.199 4.141 4.340 0.000 0.000 0.212 383 L C 2.211 179.021 176.870 -0.099 0.000 1.087 383 L CA 1.815 56.328 54.840 -0.545 0.000 0.757 383 L CB -0.310 41.438 42.059 -0.519 0.000 0.896 383 L HN 0.208 nan 8.230 nan 0.000 0.434 384 E N -0.651 119.596 120.200 0.078 0.000 2.047 384 E HA -0.159 4.192 4.350 0.000 0.000 0.191 384 E C 2.138 178.917 176.600 0.300 0.000 0.987 384 E CA 1.417 58.034 56.400 0.362 0.000 0.799 384 E CB -0.001 30.018 29.700 0.532 0.000 0.752 384 E HN 0.604 nan 8.360 nan 0.000 0.449 385 S N 0.761 116.570 115.700 0.181 0.000 2.359 385 S HA -0.176 4.294 4.470 0.000 0.000 0.224 385 S C 1.673 176.389 174.600 0.194 0.000 1.035 385 S CA 1.309 59.608 58.200 0.164 0.000 1.018 385 S CB -0.562 62.704 63.200 0.110 0.000 0.876 385 S HN 0.325 nan 8.310 nan 0.000 0.448 386 F N 1.600 121.570 119.950 0.034 0.000 2.046 386 F HA -0.210 4.317 4.527 0.000 0.000 0.297 386 F C 2.166 178.050 175.800 0.140 0.000 1.123 386 F CA 1.630 59.681 58.000 0.084 0.000 1.199 386 F CB -0.988 38.060 39.000 0.080 0.000 0.972 386 F HN 0.262 nan 8.300 nan 0.000 0.474 387 Y N 0.259 120.592 120.300 0.055 0.000 2.114 387 Y HA -0.268 4.282 4.550 0.000 0.000 0.282 387 Y C 2.246 178.189 175.900 0.072 0.000 1.165 387 Y CA 2.198 60.346 58.100 0.078 0.000 1.148 387 Y CB -0.735 37.827 38.460 0.170 0.000 0.972 387 Y HN 0.166 nan 8.280 nan 0.000 0.504 388 I N 0.400 121.060 120.570 0.149 0.000 2.546 388 I HA -0.233 3.937 4.170 0.000 0.000 0.255 388 I C 2.132 178.210 176.117 -0.064 0.000 1.163 388 I CA 1.375 62.712 61.300 0.062 0.000 1.457 388 I CB -0.329 37.805 38.000 0.224 0.000 1.092 388 I HN 0.349 nan 8.210 nan 0.000 0.434 389 Q N -0.436 119.320 119.800 -0.073 0.000 2.187 389 Q HA -0.101 4.239 4.340 0.000 0.000 0.199 389 Q C 2.101 177.991 176.000 -0.184 0.000 0.957 389 Q CA 0.732 56.482 55.803 -0.089 0.000 0.857 389 Q CB -0.010 28.712 28.738 -0.027 0.000 0.929 389 Q HN 0.215 nan 8.270 nan 0.000 0.453 390 K N 0.141 120.338 120.400 -0.339 0.000 2.103 390 K HA -0.121 4.199 4.320 0.000 0.000 0.207 390 K C 1.891 178.366 176.600 -0.209 0.000 1.048 390 K CA 1.045 57.098 56.287 -0.389 0.000 0.930 390 K CB -0.032 32.061 32.500 -0.678 0.000 0.716 390 K HN 0.120 nan 8.250 nan 0.000 0.444 391 V N 1.209 120.990 119.914 -0.220 0.000 2.346 391 V HA -0.167 3.953 4.120 0.000 0.000 0.244 391 V C 2.392 178.404 176.094 -0.137 0.000 1.037 391 V CA 0.992 63.205 62.300 -0.146 0.000 1.029 391 V CB -0.344 31.362 31.823 -0.194 0.000 0.663 391 V HN 0.169 nan 8.190 nan 0.000 0.454 392 L N 0.243 121.389 121.223 -0.129 0.000 2.081 392 L HA -0.261 4.079 4.340 0.000 0.000 0.212 392 L C 2.244 179.061 176.870 -0.088 0.000 1.080 392 L CA 1.882 56.660 54.840 -0.104 0.000 0.754 392 L CB -0.668 41.356 42.059 -0.059 0.000 0.893 392 L HN 0.366 nan 8.230 nan 0.000 0.433 393 D N -0.148 120.205 120.400 -0.078 0.000 2.117 393 D HA -0.166 4.474 4.640 0.000 0.000 0.197 393 D C 2.220 178.488 176.300 -0.054 0.000 0.987 393 D CA 1.181 55.145 54.000 -0.059 0.000 0.829 393 D CB -0.151 40.613 40.800 -0.060 0.000 0.961 393 D HN 0.287 nan 8.370 nan 0.000 0.460 394 I N 0.624 121.163 120.570 -0.050 0.000 2.248 394 I HA -0.240 3.930 4.170 0.000 0.000 0.248 394 I C 1.809 177.894 176.117 -0.054 0.000 1.107 394 I CA 0.646 61.937 61.300 -0.015 0.000 1.373 394 I CB -0.279 37.756 38.000 0.058 0.000 1.055 394 I HN 0.057 nan 8.210 nan 0.000 0.418 395 I N 1.079 121.575 120.570 -0.124 0.000 2.235 395 I HA -0.120 4.051 4.170 0.000 0.000 0.241 395 I C 2.916 178.967 176.117 -0.111 0.000 1.085 395 I CA 1.457 62.659 61.300 -0.163 0.000 1.378 395 I CB -1.737 36.111 38.000 -0.252 0.000 1.076 395 I HN 0.125 nan 8.210 nan 0.000 0.415 396 A N 0.680 123.447 122.820 -0.087 0.000 1.940 396 A HA -0.202 4.118 4.320 0.000 0.000 0.219 396 A C 2.411 179.965 177.584 -0.051 0.000 1.176 396 A CA 2.405 54.404 52.037 -0.063 0.000 0.631 396 A CB -1.172 17.805 19.000 -0.039 0.000 0.814 396 A HN 0.433 nan 8.150 nan 0.000 0.446 397 T N 0.635 115.163 114.554 -0.043 0.000 2.788 397 T HA -0.094 4.256 4.350 0.000 0.000 0.268 397 T C 1.427 176.110 174.700 -0.029 0.000 1.044 397 T CA 1.431 63.514 62.100 -0.028 0.000 1.139 397 T CB -0.472 68.387 68.868 -0.016 0.000 0.867 397 T HN 0.736 nan 8.240 nan 0.000 0.454 398 I N -1.091 119.454 120.570 -0.041 0.000 3.864 398 I HA 0.298 4.468 4.170 0.000 0.000 0.326 398 I C -0.688 175.393 176.117 -0.060 0.000 1.444 398 I CA -0.447 60.829 61.300 -0.040 0.000 1.195 398 I CB -0.508 37.475 38.000 -0.030 0.000 1.124 398 I HN -0.016 nan 8.210 nan 0.000 0.407 399 N N 2.284 120.944 118.700 -0.066 0.000 2.725 399 N HA -0.163 4.577 4.740 0.000 0.000 0.251 399 N C -0.718 174.716 175.510 -0.126 0.000 1.031 399 N CA 1.020 54.021 53.050 -0.083 0.000 0.720 399 N CB -0.852 37.597 38.487 -0.063 0.000 0.930 399 N HN 0.624 nan 8.380 nan 0.000 0.543 400 K N -0.181 120.130 120.400 -0.149 0.000 2.426 400 K HA 0.625 4.946 4.320 0.000 0.000 0.251 400 K C 0.871 177.325 176.600 -0.243 0.000 0.941 400 K CA -0.471 55.687 56.287 -0.216 0.000 0.808 400 K CB 2.233 34.628 32.500 -0.175 0.000 1.265 400 K HN 0.142 nan 8.250 nan 0.000 0.432 401 G N 0.381 108.929 108.800 -0.420 0.000 2.588 401 G HA2 0.422 4.382 3.960 0.000 0.000 0.281 401 G HA3 0.422 4.382 3.960 0.000 0.000 0.281 401 G C -0.692 174.224 174.900 0.027 0.000 1.236 401 G CA -0.212 44.731 45.100 -0.261 0.000 0.969 401 G HN 0.375 nan 8.290 nan 0.000 0.504 402 S N -1.205 114.623 115.700 0.213 0.000 2.549 402 S HA 0.614 5.085 4.470 0.000 0.000 0.280 402 S C -0.687 173.877 174.600 -0.061 0.000 1.109 402 S CA -0.381 57.839 58.200 0.034 0.000 0.905 402 S CB 1.484 64.638 63.200 -0.075 0.000 1.081 402 S HN 0.491 nan 8.310 nan 0.000 0.477 403 I N 1.707 122.105 120.570 -0.287 0.000 2.646 403 I HA 0.787 4.957 4.170 0.000 0.000 0.299 403 I C -0.938 174.658 176.117 -0.869 0.000 1.036 403 I CA -1.078 59.864 61.300 -0.598 0.000 1.074 403 I CB 1.986 39.536 38.000 -0.751 0.000 1.258 403 I HN 0.347 nan 8.210 nan 0.000 0.430 404 V N 4.481 123.940 119.914 -0.758 0.000 2.969 404 V HA 0.407 4.527 4.120 0.000 0.000 0.304 404 V C -1.512 174.495 176.094 -0.145 0.000 1.192 404 V CA -0.472 61.571 62.300 -0.429 0.000 0.962 404 V CB 2.348 34.088 31.823 -0.139 0.000 1.045 404 V HN 0.740 nan 8.190 nan 0.000 0.428 405 W N 3.493 124.955 121.300 0.270 0.000 2.137 405 W HA 0.234 4.895 4.660 0.000 0.000 0.344 405 W C 1.715 178.425 176.519 0.317 0.000 1.286 405 W CA 0.530 58.083 57.345 0.347 0.000 1.240 405 W CB 0.613 30.253 29.460 0.300 0.000 1.141 405 W HN 0.787 nan 8.180 nan 0.000 0.579 406 Q N 0.070 120.287 119.800 0.694 0.000 2.368 406 Q HA -0.242 4.098 4.340 0.000 0.000 0.210 406 Q C 1.124 177.351 176.000 0.378 0.000 0.982 406 Q CA 1.814 57.866 55.803 0.414 0.000 0.884 406 Q CB -0.127 28.772 28.738 0.268 0.000 0.933 406 Q HN 0.589 nan 8.270 nan 0.000 0.460 407 E N 0.970 121.426 120.200 0.427 0.000 2.058 407 E HA -0.156 4.194 4.350 0.000 0.000 0.194 407 E C 2.047 178.810 176.600 0.271 0.000 0.997 407 E CA 1.581 58.171 56.400 0.317 0.000 0.801 407 E CB -0.244 29.650 29.700 0.325 0.000 0.746 407 E HN 0.186 nan 8.360 nan 0.000 0.450 408 V N 0.492 120.577 119.914 0.286 0.000 2.287 408 V HA -0.264 3.856 4.120 0.000 0.000 0.248 408 V C 1.973 178.168 176.094 0.170 0.000 1.053 408 V CA 1.978 64.411 62.300 0.222 0.000 1.027 408 V CB -0.459 31.485 31.823 0.201 0.000 0.646 408 V HN 0.312 nan 8.190 nan 0.000 0.447 409 F N 0.918 120.886 119.950 0.029 0.000 2.365 409 F HA -0.136 4.391 4.527 0.000 0.000 0.300 409 F C 1.873 177.694 175.800 0.034 0.000 1.090 409 F CA 1.639 59.618 58.000 -0.034 0.000 1.408 409 F CB -0.075 38.870 39.000 -0.091 0.000 1.060 409 F HN 0.237 nan 8.300 nan 0.000 0.534 410 D N -0.544 119.904 120.400 0.079 0.000 2.360 410 D HA -0.016 4.625 4.640 0.000 0.000 0.210 410 D C 0.624 176.935 176.300 0.018 0.000 1.047 410 D CA 0.472 54.480 54.000 0.014 0.000 0.854 410 D CB -0.117 40.761 40.800 0.131 0.000 0.936 410 D HN 0.346 nan 8.370 nan 0.000 0.514 411 D N 1.265 121.701 120.400 0.060 0.000 2.427 411 D HA 0.005 4.645 4.640 0.000 0.000 0.224 411 D C -0.188 176.132 176.300 0.032 0.000 1.157 411 D CA -0.029 54.023 54.000 0.087 0.000 0.828 411 D CB 0.377 41.290 40.800 0.188 0.000 0.974 411 D HN -0.077 nan 8.370 nan 0.000 0.498 412 K N 0.337 120.706 120.400 -0.052 0.000 5.393 412 K HA -0.126 4.195 4.320 0.000 0.000 0.381 412 K C -0.513 176.083 176.600 -0.006 0.000 1.015 412 K CA 0.318 56.563 56.287 -0.070 0.000 1.190 412 K CB -1.804 30.676 32.500 -0.034 0.000 1.752 412 K HN 0.278 nan 8.250 nan 0.000 0.409 413 A N 1.971 124.783 122.820 -0.012 0.000 2.435 413 A HA 0.607 4.927 4.320 0.000 0.000 0.304 413 A C -0.517 177.104 177.584 0.062 0.000 1.064 413 A CA -0.890 51.176 52.037 0.049 0.000 0.727 413 A CB 1.496 20.541 19.000 0.074 0.000 1.284 413 A HN 0.274 nan 8.150 nan 0.000 0.415 414 K N 1.174 121.632 120.400 0.096 0.000 2.349 414 K HA 0.530 4.850 4.320 0.000 0.000 0.288 414 K C -1.183 175.499 176.600 0.137 0.000 1.058 414 K CA 0.426 56.793 56.287 0.134 0.000 0.953 414 K CB -0.243 32.328 32.500 0.120 0.000 0.997 414 K HN 0.527 nan 8.250 nan 0.000 0.477 415 L N 3.366 124.727 121.223 0.230 0.000 2.362 415 L HA 0.567 4.907 4.340 0.000 0.000 0.275 415 L C -0.066 177.030 176.870 0.377 0.000 0.998 415 L CA -1.418 53.556 54.840 0.224 0.000 0.820 415 L CB 1.990 44.048 42.059 -0.002 0.000 1.270 415 L HN 0.606 nan 8.230 nan 0.000 0.415 416 A N 4.531 127.486 122.820 0.225 0.000 2.520 416 A HA 0.405 4.726 4.320 0.000 0.000 0.245 416 A C -2.109 175.605 177.584 0.217 0.000 1.072 416 A CA -0.974 51.168 52.037 0.174 0.000 0.761 416 A CB -0.670 18.386 19.000 0.094 0.000 1.004 416 A HN 0.476 nan 8.150 nan 0.000 0.499 417 P HA 0.089 nan 4.420 nan 0.000 0.258 417 P C 0.947 178.301 177.300 0.090 0.000 1.172 417 P CA 1.737 64.854 63.100 0.028 0.000 0.762 417 P CB 0.389 32.066 31.700 -0.039 0.000 0.764 418 G N 1.964 110.843 108.800 0.132 0.000 2.231 418 G HA2 -0.178 3.782 3.960 0.000 0.000 0.206 418 G HA3 -0.178 3.782 3.960 0.000 0.000 0.206 418 G C 0.264 175.291 174.900 0.212 0.000 0.996 418 G CA -0.240 44.956 45.100 0.161 0.000 0.645 418 G HN 0.595 nan 8.290 nan 0.000 0.498 419 T N 3.470 118.178 114.554 0.255 0.000 2.853 419 T HA 0.453 4.803 4.350 0.000 0.000 0.298 419 T C 0.895 175.640 174.700 0.075 0.000 0.978 419 T CA 0.240 62.437 62.100 0.163 0.000 1.152 419 T CB 0.579 69.526 68.868 0.132 0.000 0.914 419 T HN 0.269 nan 8.240 nan 0.000 0.539 420 I N 4.101 124.612 120.570 -0.099 0.000 2.472 420 I HA 0.315 4.485 4.170 0.000 0.000 0.290 420 I C 0.174 176.138 176.117 -0.255 0.000 1.016 420 I CA -0.670 60.496 61.300 -0.223 0.000 1.348 420 I CB 0.969 38.719 38.000 -0.418 0.000 1.417 420 I HN 0.257 nan 8.210 nan 0.000 0.521 421 V N 5.103 124.876 119.914 -0.236 0.000 2.409 421 V HA 0.327 4.448 4.120 0.000 0.000 0.291 421 V C 0.104 176.114 176.094 -0.140 0.000 1.020 421 V CA -0.792 61.386 62.300 -0.203 0.000 0.848 421 V CB 1.722 33.379 31.823 -0.277 0.000 0.990 421 V HN 0.723 nan 8.190 nan 0.000 0.430 422 E N 3.392 123.579 120.200 -0.022 0.000 2.115 422 E HA 0.462 4.813 4.350 0.000 0.000 0.282 422 E C -1.000 175.839 176.600 0.398 0.000 0.987 422 E CA -0.455 56.038 56.400 0.154 0.000 0.797 422 E CB 1.683 31.508 29.700 0.208 0.000 1.086 422 E HN 0.555 nan 8.360 nan 0.000 0.397 423 V N 6.927 126.981 119.914 0.233 0.000 2.530 423 V HA 0.078 4.199 4.120 0.000 0.000 0.282 423 V C 0.627 176.900 176.094 0.298 0.000 1.048 423 V CA 0.043 62.459 62.300 0.193 0.000 0.997 423 V CB 0.517 32.356 31.823 0.026 0.000 0.987 423 V HN 0.848 nan 8.190 nan 0.000 0.477 424 W N 3.247 124.609 121.300 0.103 0.000 2.413 424 W HA 0.375 5.036 4.660 0.001 0.000 0.288 424 W C -0.005 176.420 176.519 -0.158 0.000 0.958 424 W CA -0.639 56.740 57.345 0.056 0.000 1.333 424 W CB 0.248 29.755 29.460 0.079 0.000 1.002 424 W HN 0.330 nan 8.180 nan 0.000 0.562 425 K N 2.070 121.987 120.400 -0.804 0.000 2.144 425 K HA 0.095 4.415 4.320 0.000 0.000 0.270 425 K C 0.326 176.700 176.600 -0.377 0.000 1.005 425 K CA -0.389 55.422 56.287 -0.792 0.000 0.932 425 K CB 1.886 33.856 32.500 -0.884 0.000 1.021 425 K HN -0.343 nan 8.250 nan 0.000 0.462 426 D N 0.879 121.104 120.400 -0.292 0.000 2.103 426 D HA -0.107 4.533 4.640 0.000 0.000 0.199 426 D C 0.354 176.671 176.300 0.029 0.000 0.978 426 D CA 0.935 54.896 54.000 -0.066 0.000 0.829 426 D CB -0.078 40.668 40.800 -0.090 0.000 0.981 426 D HN 0.567 nan 8.370 nan 0.000 0.464 427 S N 0.326 115.979 115.700 -0.079 0.000 2.670 427 S HA 0.211 4.682 4.470 0.000 0.000 0.308 427 S C 0.636 175.207 174.600 -0.048 0.000 1.232 427 S CA 0.015 58.175 58.200 -0.065 0.000 1.126 427 S CB 0.200 63.346 63.200 -0.090 0.000 0.897 427 S HN 0.473 nan 8.310 nan 0.000 0.508 428 A N 3.043 125.829 122.820 -0.058 0.000 2.261 428 A HA -0.205 4.115 4.320 0.000 0.000 0.282 428 A C 0.465 178.013 177.584 -0.060 0.000 1.403 428 A CA 1.193 53.181 52.037 -0.081 0.000 0.753 428 A CB -2.610 16.361 19.000 -0.048 0.000 1.125 428 A HN 1.980 nan 8.150 nan 0.000 0.358 429 Y N -0.712 119.524 120.300 -0.106 0.000 2.420 429 Y HA 0.255 4.806 4.550 0.001 0.000 0.292 429 Y C -0.803 175.016 175.900 -0.134 0.000 1.119 429 Y CA 0.277 58.298 58.100 -0.132 0.000 1.229 429 Y CB -1.247 37.116 38.460 -0.163 0.000 1.026 429 Y HN 0.387 nan 8.280 nan 0.000 0.554 430 P HA -0.084 nan 4.420 nan 0.000 0.223 430 P C 1.487 178.737 177.300 -0.084 0.000 1.151 430 P CA 1.437 64.362 63.100 -0.292 0.000 0.787 430 P CB 0.169 31.691 31.700 -0.296 0.000 0.788 431 E N 0.057 120.223 120.200 -0.057 0.000 2.107 431 E HA -0.150 4.200 4.350 0.000 0.000 0.191 431 E C 1.865 178.494 176.600 0.048 0.000 0.982 431 E CA 0.943 57.358 56.400 0.025 0.000 0.809 431 E CB -0.378 29.330 29.700 0.013 0.000 0.756 431 E HN 0.189 nan 8.360 nan 0.000 0.459 432 E N 0.454 120.666 120.200 0.020 0.000 2.150 432 E HA -0.109 4.241 4.350 0.000 0.000 0.193 432 E C 2.308 178.888 176.600 -0.034 0.000 0.985 432 E CA 0.343 56.764 56.400 0.035 0.000 0.814 432 E CB -0.126 29.590 29.700 0.026 0.000 0.752 432 E HN 0.312 nan 8.360 nan 0.000 0.466 433 L N 0.595 121.731 121.223 -0.146 0.000 2.083 433 L HA -0.174 4.167 4.340 0.000 0.000 0.209 433 L C 2.453 179.247 176.870 -0.127 0.000 1.083 433 L CA 0.853 55.443 54.840 -0.416 0.000 0.752 433 L CB -0.245 41.095 42.059 -1.199 0.000 0.899 433 L HN 0.038 nan 8.230 nan 0.000 0.433 434 S N -0.452 115.343 115.700 0.158 0.000 2.338 434 S HA -0.135 4.335 4.470 0.000 0.000 0.218 434 S C 2.001 176.746 174.600 0.241 0.000 1.032 434 S CA 0.956 59.373 58.200 0.363 0.000 0.999 434 S CB -0.211 63.165 63.200 0.294 0.000 0.905 434 S HN 0.338 nan 8.310 nan 0.000 0.439 435 R N 0.574 121.196 120.500 0.203 0.000 2.094 435 R HA -0.094 4.247 4.340 0.000 0.000 0.239 435 R C 2.263 178.718 176.300 0.260 0.000 1.137 435 R CA 1.541 57.810 56.100 0.282 0.000 0.943 435 R CB -0.849 29.686 30.300 0.391 0.000 0.850 435 R HN 0.243 nan 8.270 nan 0.000 0.433 436 V N 0.701 120.593 119.914 -0.038 0.000 2.407 436 V HA -0.230 3.891 4.120 0.000 0.000 0.248 436 V C 2.366 178.464 176.094 0.007 0.000 1.055 436 V CA 2.303 64.378 62.300 -0.375 0.000 1.049 436 V CB -0.666 30.848 31.823 -0.516 0.000 0.662 436 V HN 0.603 nan 8.190 nan 0.000 0.455 437 T N -2.276 112.351 114.554 0.120 0.000 3.067 437 T HA 0.185 4.536 4.350 0.000 0.000 0.257 437 T C 1.805 176.605 174.700 0.167 0.000 1.105 437 T CA 0.867 63.076 62.100 0.182 0.000 1.104 437 T CB 0.059 69.110 68.868 0.305 0.000 0.925 437 T HN 0.404 nan 8.240 nan 0.000 0.498 438 A N 1.745 124.675 122.820 0.184 0.000 1.968 438 A HA 0.179 4.499 4.320 0.000 0.000 0.217 438 A C 2.216 179.890 177.584 0.150 0.000 1.169 438 A CA 0.977 53.106 52.037 0.154 0.000 0.638 438 A CB -0.512 18.585 19.000 0.162 0.000 0.812 438 A HN 0.472 nan 8.150 nan 0.000 0.446 439 S N -0.465 115.371 115.700 0.226 0.000 2.685 439 S HA 0.388 4.858 4.470 0.000 0.000 0.240 439 S C 1.165 175.788 174.600 0.038 0.000 0.967 439 S CA 0.402 58.749 58.200 0.245 0.000 1.009 439 S CB -0.380 63.153 63.200 0.555 0.000 0.776 439 S HN 1.433 nan 8.310 nan 0.000 0.467 440 G N 1.363 110.156 108.800 -0.012 0.000 2.283 440 G HA2 -0.284 3.676 3.960 0.000 0.000 0.280 440 G HA3 -0.284 3.676 3.960 0.000 0.000 0.280 440 G C -0.186 174.531 174.900 -0.305 0.000 1.029 440 G CA 0.046 45.056 45.100 -0.151 0.000 0.840 440 G HN 0.471 nan 8.290 nan 0.000 0.505 441 F N 0.131 120.094 119.950 0.021 0.000 2.443 441 F HA 0.547 5.075 4.527 0.000 0.000 0.335 441 F C -1.719 174.045 175.800 -0.059 0.000 1.104 441 F CA -2.711 55.273 58.000 -0.027 0.000 1.013 441 F CB 1.914 40.869 39.000 -0.075 0.000 1.136 441 F HN -0.161 nan 8.300 nan 0.000 0.470 442 P HA 0.190 nan 4.420 nan 0.000 0.271 442 P C -1.097 176.155 177.300 -0.081 0.000 1.218 442 P CA -0.150 62.955 63.100 0.008 0.000 0.780 442 P CB 1.275 32.952 31.700 -0.037 0.000 0.901 443 V N 4.117 123.937 119.914 -0.157 0.000 2.789 443 V HA 0.527 4.647 4.120 0.000 0.000 0.311 443 V C -0.943 174.871 176.094 -0.467 0.000 1.073 443 V CA -0.901 61.245 62.300 -0.258 0.000 0.921 443 V CB 1.591 33.305 31.823 -0.182 0.000 1.009 443 V HN 0.308 nan 8.190 nan 0.000 0.426 444 I N 6.010 126.340 120.570 -0.399 0.000 2.474 444 I HA 0.456 4.626 4.170 0.000 0.000 0.294 444 I C -0.917 175.066 176.117 -0.222 0.000 1.005 444 I CA -0.790 60.267 61.300 -0.404 0.000 1.113 444 I CB 1.873 39.684 38.000 -0.314 0.000 1.289 444 I HN 0.433 nan 8.210 nan 0.000 0.436 445 L N 5.481 126.594 121.223 -0.184 0.000 2.295 445 L HA 0.412 4.752 4.340 0.000 0.000 0.285 445 L C 0.740 177.699 176.870 0.148 0.000 1.035 445 L CA 0.627 55.475 54.840 0.014 0.000 0.806 445 L CB 1.595 43.721 42.059 0.113 0.000 1.214 445 L HN 0.750 nan 8.230 nan 0.000 0.426 446 S N 2.474 118.269 115.700 0.158 0.000 2.651 446 S HA 0.216 4.686 4.470 0.000 0.000 0.259 446 S C 1.573 176.311 174.600 0.231 0.000 1.073 446 S CA 0.274 58.664 58.200 0.317 0.000 1.090 446 S CB -0.068 63.422 63.200 0.484 0.000 1.042 446 S HN 0.692 nan 8.310 nan 0.000 0.581 447 A N 3.691 126.476 122.820 -0.059 0.000 1.903 447 A HA 0.002 4.323 4.320 0.000 0.000 0.219 447 A C 0.334 177.677 177.584 -0.402 0.000 1.191 447 A CA 2.083 53.932 52.037 -0.313 0.000 0.638 447 A CB -1.822 16.756 19.000 -0.704 0.000 0.823 447 A HN 0.656 nan 8.150 nan 0.000 0.451 448 P HA -0.047 nan 4.420 nan 0.000 0.231 448 P C -0.109 177.126 177.300 -0.108 0.000 1.168 448 P CA 0.612 63.441 63.100 -0.451 0.000 0.779 448 P CB -0.003 31.252 31.700 -0.742 0.000 0.844 449 W N 0.030 121.397 121.300 0.112 0.000 1.843 449 W HA 0.277 4.938 4.660 0.000 0.000 0.309 449 W C -0.550 175.958 176.519 -0.017 0.000 0.773 449 W CA -0.993 56.277 57.345 -0.125 0.000 2.405 449 W CB -0.877 28.513 29.460 -0.116 0.000 2.324 449 W HN -0.104 nan 8.180 nan 0.000 0.517 450 Y N 1.605 121.941 120.300 0.060 0.000 2.613 450 Y HA 0.095 4.645 4.550 0.001 0.000 0.354 450 Y C 1.503 177.445 175.900 0.071 0.000 1.063 450 Y CA 0.032 58.196 58.100 0.108 0.000 1.384 450 Y CB 0.266 38.810 38.460 0.141 0.000 1.199 450 Y HN 0.031 nan 8.280 nan 0.000 0.517 451 L N 1.956 123.185 121.223 0.010 0.000 2.313 451 L HA -0.115 4.225 4.340 0.000 0.000 0.214 451 L C 1.945 178.861 176.870 0.077 0.000 1.119 451 L CA 0.914 55.746 54.840 -0.013 0.000 0.809 451 L CB -0.155 41.812 42.059 -0.154 0.000 0.933 451 L HN 0.586 nan 8.230 nan 0.000 0.449 452 D N 1.014 121.475 120.400 0.102 0.000 2.178 452 D HA -0.174 4.466 4.640 0.000 0.000 0.202 452 D C 1.129 177.554 176.300 0.209 0.000 0.974 452 D CA 0.597 54.691 54.000 0.155 0.000 0.841 452 D CB -0.282 40.639 40.800 0.202 0.000 0.953 452 D HN 0.260 nan 8.370 nan 0.000 0.478 453 L N 2.347 123.724 121.223 0.255 0.000 2.415 453 L HA 0.214 4.554 4.340 0.000 0.000 0.269 453 L C 0.505 177.515 176.870 0.234 0.000 1.244 453 L CA -0.507 54.482 54.840 0.248 0.000 1.113 453 L CB -0.508 41.719 42.059 0.279 0.000 1.352 453 L HN 0.084 nan 8.230 nan 0.000 0.433 454 I N -0.025 120.653 120.570 0.180 0.000 2.662 454 I HA 0.620 4.790 4.170 0.000 0.000 0.291 454 I C 0.386 176.587 176.117 0.140 0.000 1.046 454 I CA -0.108 61.291 61.300 0.166 0.000 1.361 454 I CB 1.384 39.459 38.000 0.126 0.000 1.429 454 I HN 0.446 nan 8.210 nan 0.000 0.558 455 S N 2.566 118.352 115.700 0.144 0.000 2.570 455 S HA 0.375 4.845 4.470 0.000 0.000 0.270 455 S C -0.936 173.767 174.600 0.173 0.000 1.149 455 S CA -0.834 57.448 58.200 0.136 0.000 0.837 455 S CB 0.934 64.199 63.200 0.107 0.000 1.124 455 S HN 0.689 nan 8.310 nan 0.000 0.465 456 Y N 2.135 122.462 120.300 0.045 0.000 2.597 456 Y HA 0.457 5.007 4.550 0.000 0.000 0.336 456 Y C 0.802 176.735 175.900 0.056 0.000 1.216 456 Y CA 1.720 59.849 58.100 0.048 0.000 1.463 456 Y CB -0.155 38.326 38.460 0.034 0.000 1.303 456 Y HN 1.664 nan 8.280 nan 0.000 0.576 457 G N 4.610 113.150 108.800 -0.434 0.000 2.603 457 G HA2 -0.165 3.796 3.960 0.000 0.000 0.686 457 G HA3 -0.165 3.796 3.960 0.000 0.000 0.686 457 G C -1.075 173.784 174.900 -0.069 0.000 1.286 457 G CA -0.719 44.158 45.100 -0.371 0.000 0.871 457 G HN 0.767 nan 8.290 nan 0.000 0.568 458 Q N 0.751 120.548 119.800 -0.004 0.000 2.962 458 Q HA 0.137 4.477 4.340 0.000 0.000 0.251 458 Q C 0.990 176.942 176.000 -0.079 0.000 1.380 458 Q CA 0.496 56.377 55.803 0.131 0.000 0.926 458 Q CB 0.001 28.850 28.738 0.185 0.000 1.704 458 Q HN 0.628 nan 8.270 nan 0.000 0.563 459 D N 0.347 120.734 120.400 -0.020 0.000 2.363 459 D HA -0.179 4.462 4.640 0.000 0.000 0.226 459 D C 1.331 177.458 176.300 -0.289 0.000 1.020 459 D CA 0.056 53.942 54.000 -0.190 0.000 0.892 459 D CB -0.311 40.399 40.800 -0.150 0.000 0.900 459 D HN 0.682 nan 8.370 nan 0.000 0.531 460 W N 1.634 122.903 121.300 -0.051 0.000 2.421 460 W HA -0.038 4.623 4.660 0.000 0.000 0.270 460 W C 1.299 177.902 176.519 0.139 0.000 1.233 460 W CA 0.102 57.506 57.345 0.099 0.000 1.226 460 W CB -0.734 28.817 29.460 0.152 0.000 1.121 460 W HN -0.037 nan 8.180 nan 0.000 0.579 461 R N 1.692 121.708 120.500 -0.807 0.000 2.066 461 R HA -0.173 4.167 4.340 0.000 0.000 0.232 461 R C 2.436 178.624 176.300 -0.186 0.000 1.131 461 R CA 2.409 58.078 56.100 -0.719 0.000 0.955 461 R CB -0.615 29.205 30.300 -0.800 0.000 0.851 461 R HN 0.250 nan 8.270 nan 0.000 0.432 462 K N 0.002 120.267 120.400 -0.225 0.000 2.147 462 K HA -0.175 4.146 4.320 0.000 0.000 0.205 462 K C 1.268 177.970 176.600 0.170 0.000 1.049 462 K CA 1.548 57.781 56.287 -0.090 0.000 0.936 462 K CB -0.182 32.211 32.500 -0.179 0.000 0.722 462 K HN 0.154 nan 8.250 nan 0.000 0.446 463 Y N -0.534 119.984 120.300 0.363 0.000 2.365 463 Y HA -0.031 4.519 4.550 0.000 0.000 0.293 463 Y C 2.133 178.374 175.900 0.568 0.000 1.119 463 Y CA 0.087 58.539 58.100 0.586 0.000 1.203 463 Y CB -0.936 37.835 38.460 0.519 0.000 1.026 463 Y HN 0.098 nan 8.280 nan 0.000 0.549 464 Y N 1.007 121.590 120.300 0.471 0.000 2.352 464 Y HA -0.109 4.441 4.550 0.000 0.000 0.292 464 Y C 2.090 178.178 175.900 0.313 0.000 1.136 464 Y CA 1.319 59.661 58.100 0.403 0.000 1.227 464 Y CB -0.018 38.691 38.460 0.414 0.000 0.991 464 Y HN -0.055 nan 8.280 nan 0.000 0.545 465 K N -0.217 120.404 120.400 0.370 0.000 2.228 465 K HA 0.016 4.336 4.320 0.000 0.000 0.202 465 K C 0.323 177.056 176.600 0.222 0.000 1.051 465 K CA 0.450 56.885 56.287 0.247 0.000 0.960 465 K CB -0.107 32.491 32.500 0.164 0.000 0.743 465 K HN -0.027 nan 8.250 nan 0.000 0.458 466 V N 2.725 122.828 119.914 0.315 0.000 2.617 466 V HA -0.081 4.040 4.120 0.000 0.000 0.304 466 V C 0.192 176.428 176.094 0.237 0.000 1.040 466 V CA 0.248 62.710 62.300 0.271 0.000 1.149 466 V CB 0.584 32.573 31.823 0.277 0.000 0.914 466 V HN 0.180 nan 8.190 nan 0.000 0.487 467 E N 8.318 128.611 120.200 0.155 0.000 2.121 467 E HA 0.352 4.702 4.350 0.000 0.000 0.255 467 E C -1.586 175.068 176.600 0.091 0.000 0.906 467 E CA -2.445 54.030 56.400 0.125 0.000 0.745 467 E CB 1.489 31.242 29.700 0.088 0.000 1.155 467 E HN 0.360 nan 8.360 nan 0.000 0.424 468 P HA -0.156 nan 4.420 nan 0.000 0.219 468 P C 0.713 177.901 177.300 -0.185 0.000 1.146 468 P CA 0.962 63.992 63.100 -0.117 0.000 0.808 468 P CB 0.306 31.842 31.700 -0.274 0.000 0.779 469 L N -0.137 121.054 121.223 -0.054 0.000 2.645 469 L HA 0.112 4.453 4.340 0.000 0.000 0.234 469 L C -0.019 176.905 176.870 0.090 0.000 1.165 469 L CA 0.151 55.019 54.840 0.047 0.000 0.944 469 L CB -0.547 41.512 42.059 -0.000 0.000 1.149 469 L HN -0.206 nan 8.230 nan 0.000 0.446 470 D N 1.609 122.112 120.400 0.172 0.000 2.524 470 D HA 0.378 5.018 4.640 0.000 0.000 0.222 470 D C -0.389 176.056 176.300 0.240 0.000 1.142 470 D CA 0.171 54.239 54.000 0.114 0.000 0.973 470 D CB 0.205 41.038 40.800 0.054 0.000 1.025 470 D HN 0.057 nan 8.370 nan 0.000 0.519 471 F N -1.964 117.951 119.950 -0.057 0.000 2.773 471 F HA 0.593 5.120 4.527 0.000 0.000 0.314 471 F C 0.102 175.891 175.800 -0.020 0.000 1.160 471 F CA -1.777 56.196 58.000 -0.045 0.000 0.920 471 F CB 0.417 39.397 39.000 -0.033 0.000 1.323 471 F HN 0.017 nan 8.300 nan 0.000 0.457 472 G N 0.002 108.817 108.800 0.025 0.000 2.432 472 G HA2 0.526 4.486 3.960 0.000 0.000 0.239 472 G HA3 0.526 4.486 3.960 0.000 0.000 0.239 472 G C -0.057 174.739 174.900 -0.174 0.000 1.291 472 G CA 0.174 45.236 45.100 -0.063 0.000 0.863 472 G HN 1.942 nan 8.290 nan 0.000 0.560 473 G N 0.418 109.108 108.800 -0.183 0.000 2.322 473 G HA2 0.514 4.474 3.960 0.000 0.000 0.289 473 G HA3 0.514 4.474 3.960 0.000 0.000 0.289 473 G C -0.208 174.606 174.900 -0.144 0.000 1.687 473 G CA -0.068 44.940 45.100 -0.153 0.000 0.944 473 G HN 1.364 nan 8.290 nan 0.000 0.718 474 T N -0.496 114.015 114.554 -0.071 0.000 2.855 474 T HA 0.268 4.618 4.350 0.000 0.000 0.314 474 T C 1.593 176.254 174.700 -0.066 0.000 1.077 474 T CA 0.799 62.865 62.100 -0.056 0.000 1.095 474 T CB 1.052 69.906 68.868 -0.024 0.000 0.987 474 T HN 0.675 nan 8.240 nan 0.000 0.546 475 Q N 0.362 120.128 119.800 -0.055 0.000 2.197 475 Q HA -0.152 4.188 4.340 0.000 0.000 0.207 475 Q C 2.267 178.253 176.000 -0.023 0.000 0.984 475 Q CA 1.477 57.251 55.803 -0.048 0.000 0.869 475 Q CB -0.196 28.519 28.738 -0.039 0.000 0.906 475 Q HN 0.663 nan 8.270 nan 0.000 0.426 476 K N 0.868 121.261 120.400 -0.011 0.000 2.211 476 K HA -0.174 4.146 4.320 0.000 0.000 0.203 476 K C 1.734 178.352 176.600 0.030 0.000 1.050 476 K CA 1.201 57.493 56.287 0.007 0.000 0.945 476 K CB 0.131 32.634 32.500 0.005 0.000 0.732 476 K HN 0.370 nan 8.250 nan 0.000 0.451 477 Q N -0.112 119.706 119.800 0.030 0.000 2.187 477 Q HA -0.042 4.298 4.340 0.000 0.000 0.199 477 Q C 1.722 177.803 176.000 0.136 0.000 0.957 477 Q CA 0.794 56.645 55.803 0.080 0.000 0.857 477 Q CB 0.254 29.033 28.738 0.068 0.000 0.929 477 Q HN 0.117 nan 8.270 nan 0.000 0.453 478 K N 0.456 120.899 120.400 0.071 0.000 2.211 478 K HA -0.138 4.182 4.320 0.000 0.000 0.203 478 K C 1.824 178.533 176.600 0.182 0.000 1.050 478 K CA 0.863 57.225 56.287 0.126 0.000 0.945 478 K CB 0.011 32.511 32.500 0.001 0.000 0.732 478 K HN 0.140 nan 8.250 nan 0.000 0.451 479 Q N 0.671 120.538 119.800 0.112 0.000 2.291 479 Q HA 0.034 4.374 4.340 0.000 0.000 0.206 479 Q C 1.889 177.972 176.000 0.138 0.000 0.976 479 Q CA 0.755 56.618 55.803 0.099 0.000 0.875 479 Q CB -0.089 28.680 28.738 0.051 0.000 0.927 479 Q HN 0.255 nan 8.270 nan 0.000 0.450 480 L N -1.318 120.006 121.223 0.169 0.000 2.341 480 L HA 0.055 4.395 4.340 0.000 0.000 0.214 480 L C 0.375 177.363 176.870 0.198 0.000 1.115 480 L CA -0.352 54.580 54.840 0.153 0.000 0.820 480 L CB 0.008 42.146 42.059 0.132 0.000 0.944 480 L HN 0.162 nan 8.230 nan 0.000 0.452 481 F N 1.630 121.694 119.950 0.191 0.000 2.502 481 F HA 0.054 4.581 4.527 0.001 0.000 0.371 481 F C 1.198 177.171 175.800 0.288 0.000 1.083 481 F CA -0.068 58.076 58.000 0.241 0.000 1.174 481 F CB 0.433 39.655 39.000 0.368 0.000 1.096 481 F HN -0.060 nan 8.300 nan 0.000 0.545 482 I N 2.308 122.914 120.570 0.060 0.000 4.139 482 I HA 0.591 4.762 4.170 0.000 0.000 0.320 482 I C 0.931 177.245 176.117 0.329 0.000 1.290 482 I CA 0.318 61.741 61.300 0.204 0.000 1.253 482 I CB -0.124 37.892 38.000 0.027 0.000 1.122 482 I HN 0.622 nan 8.210 nan 0.000 0.421 483 G N 0.399 109.154 108.800 -0.075 0.000 2.367 483 G HA2 0.483 4.443 3.960 0.000 0.000 0.272 483 G HA3 0.483 4.443 3.960 0.000 0.000 0.272 483 G C -1.349 173.458 174.900 -0.155 0.000 1.271 483 G CA -0.153 44.908 45.100 -0.065 0.000 0.893 483 G HN 0.434 nan 8.290 nan 0.000 0.485 484 G N -1.322 107.562 108.800 0.140 0.000 2.727 484 G HA2 0.718 4.679 3.960 0.000 0.000 0.289 484 G HA3 0.718 4.679 3.960 0.000 0.000 0.289 484 G C -1.692 173.447 174.900 0.399 0.000 1.418 484 G CA -0.328 44.990 45.100 0.364 0.000 0.818 484 G HN 0.588 nan 8.290 nan 0.000 0.486 485 E N -1.024 119.465 120.200 0.482 0.000 2.331 485 E HA 0.549 4.899 4.350 0.000 0.000 0.275 485 E C -0.770 176.046 176.600 0.361 0.000 0.895 485 E CA -0.892 55.735 56.400 0.379 0.000 0.753 485 E CB 2.540 32.451 29.700 0.352 0.000 1.216 485 E HN 0.702 nan 8.360 nan 0.000 0.434 486 A N 1.977 124.895 122.820 0.164 0.000 2.274 486 A HA 0.497 4.817 4.320 0.000 0.000 0.309 486 A C -0.567 176.924 177.584 -0.154 0.000 1.226 486 A CA -0.461 51.582 52.037 0.009 0.000 0.853 486 A CB 0.181 19.095 19.000 -0.145 0.000 1.146 486 A HN 0.643 nan 8.150 nan 0.000 0.518 487 C N 2.836 122.012 119.300 -0.206 0.000 2.298 487 C HA 0.539 4.999 4.460 0.000 0.000 0.323 487 C C -0.046 174.684 174.990 -0.434 0.000 1.284 487 C CA -0.388 58.367 59.018 -0.437 0.000 1.577 487 C CB 0.206 27.648 27.740 -0.496 0.000 2.249 487 C HN 0.779 nan 8.230 nan 0.000 0.497 488 L N 4.074 124.986 121.223 -0.518 0.000 2.426 488 L HA 0.452 4.793 4.340 0.000 0.000 0.255 488 L C -0.812 175.853 176.870 -0.342 0.000 1.080 488 L CA -0.133 54.507 54.840 -0.334 0.000 0.960 488 L CB -0.249 41.633 42.059 -0.295 0.000 1.326 488 L HN 0.721 nan 8.230 nan 0.000 0.441 489 W N 2.424 123.586 121.300 -0.230 0.000 2.253 489 W HA 0.397 5.058 4.660 0.000 0.000 0.322 489 W C 1.539 177.992 176.519 -0.110 0.000 1.342 489 W CA -0.166 57.048 57.345 -0.219 0.000 1.218 489 W CB 0.908 30.200 29.460 -0.281 0.000 1.205 489 W HN 0.626 nan 8.180 nan 0.000 0.551 490 G N 1.570 110.450 108.800 0.133 0.000 2.920 490 G HA2 -0.142 3.819 3.960 0.000 0.000 0.208 490 G HA3 -0.142 3.819 3.960 0.000 0.000 0.208 490 G C 1.092 176.121 174.900 0.215 0.000 1.159 490 G CA 0.063 45.260 45.100 0.161 0.000 0.784 490 G HN 0.591 nan 8.290 nan 0.000 0.535 491 E N -0.319 119.909 120.200 0.047 0.000 2.136 491 E HA -0.206 4.145 4.350 0.000 0.000 0.202 491 E C 0.477 176.871 176.600 -0.344 0.000 1.019 491 E CA 1.421 57.683 56.400 -0.230 0.000 0.819 491 E CB -0.177 29.235 29.700 -0.479 0.000 0.739 491 E HN 0.670 nan 8.360 nan 0.000 0.458 492 Y N -1.455 118.945 120.300 0.168 0.000 2.715 492 Y HA 0.367 4.917 4.550 0.000 0.000 0.255 492 Y C -0.706 175.181 175.900 -0.021 0.000 1.139 492 Y CA -0.458 57.693 58.100 0.084 0.000 1.151 492 Y CB 0.896 39.395 38.460 0.065 0.000 1.201 492 Y HN -0.242 nan 8.280 nan 0.000 0.556 493 V N 1.797 121.734 119.914 0.038 0.000 2.577 493 V HA 0.494 4.615 4.120 0.000 0.000 0.303 493 V C -0.831 175.176 176.094 -0.145 0.000 1.042 493 V CA -0.624 61.653 62.300 -0.040 0.000 0.872 493 V CB 2.110 33.936 31.823 0.006 0.000 0.998 493 V HN 0.378 nan 8.190 nan 0.000 0.423 494 D N 4.029 124.322 120.400 -0.178 0.000 3.158 494 D HA 0.500 5.140 4.640 0.000 0.000 0.314 494 D C 1.029 177.300 176.300 -0.048 0.000 1.308 494 D CA 0.149 54.085 54.000 -0.106 0.000 1.001 494 D CB 1.182 41.869 40.800 -0.189 0.000 1.389 494 D HN 0.456 nan 8.370 nan 0.000 0.595 495 A N -0.727 122.089 122.820 -0.007 0.000 2.070 495 A HA -0.028 4.292 4.320 0.000 0.000 0.220 495 A C 1.899 179.480 177.584 -0.006 0.000 1.159 495 A CA 2.739 54.776 52.037 -0.000 0.000 0.656 495 A CB -1.349 17.667 19.000 0.027 0.000 0.800 495 A HN 0.706 nan 8.150 nan 0.000 0.453 496 T N -2.117 112.427 114.554 -0.015 0.000 3.054 496 T HA -0.036 4.314 4.350 0.000 0.000 0.259 496 T C 0.894 175.587 174.700 -0.011 0.000 1.092 496 T CA 1.023 63.117 62.100 -0.010 0.000 1.121 496 T CB -0.213 68.648 68.868 -0.011 0.000 0.912 496 T HN 0.604 nan 8.240 nan 0.000 0.489 497 N N -0.023 118.664 118.700 -0.022 0.000 2.307 497 N HA 0.201 4.941 4.740 0.000 0.000 0.248 497 N C 0.779 176.275 175.510 -0.022 0.000 1.322 497 N CA -0.351 52.691 53.050 -0.014 0.000 0.861 497 N CB -0.329 38.153 38.487 -0.009 0.000 1.303 497 N HN 0.376 nan 8.380 nan 0.000 0.498 498 L N 0.917 122.122 121.223 -0.031 0.000 1.982 498 L HA 0.006 4.346 4.340 0.000 0.000 0.206 498 L C 1.795 178.635 176.870 -0.049 0.000 1.078 498 L CA 1.730 56.536 54.840 -0.056 0.000 0.749 498 L CB -0.679 41.343 42.059 -0.061 0.000 0.894 498 L HN 0.071 nan 8.230 nan 0.000 0.436 499 T N 0.339 114.900 114.554 0.013 0.000 2.665 499 T HA -0.146 4.204 4.350 0.000 0.000 0.268 499 T C -0.650 174.115 174.700 0.107 0.000 1.035 499 T CA 1.821 63.989 62.100 0.113 0.000 1.151 499 T CB -1.599 67.356 68.868 0.145 0.000 0.862 499 T HN 0.306 nan 8.240 nan 0.000 0.438 500 P HA -0.093 nan 4.420 nan 0.000 0.214 500 P C 1.597 178.909 177.300 0.020 0.000 1.163 500 P CA 1.268 64.394 63.100 0.044 0.000 0.889 500 P CB -0.050 31.666 31.700 0.027 0.000 0.790 501 R N -0.793 119.699 120.500 -0.015 0.000 2.092 501 R HA -0.041 4.299 4.340 0.000 0.000 0.231 501 R C 2.331 178.567 176.300 -0.106 0.000 1.119 501 R CA 0.889 56.973 56.100 -0.027 0.000 0.970 501 R CB -0.846 29.442 30.300 -0.020 0.000 0.864 501 R HN 0.143 nan 8.270 nan 0.000 0.440 502 L N -0.310 120.760 121.223 -0.256 0.000 1.973 502 L HA -0.088 4.252 4.340 0.000 0.000 0.208 502 L C 0.065 176.594 176.870 -0.568 0.000 1.073 502 L CA 1.234 55.718 54.840 -0.593 0.000 0.746 502 L CB -0.100 41.354 42.059 -1.007 0.000 0.891 502 L HN 0.172 nan 8.230 nan 0.000 0.433 503 W N -0.273 120.996 121.300 -0.052 0.000 2.469 503 W HA 0.314 4.974 4.660 0.000 0.000 0.320 503 W C -1.667 174.808 176.519 -0.073 0.000 1.086 503 W CA -1.646 55.658 57.345 -0.067 0.000 1.211 503 W CB 0.056 29.461 29.460 -0.091 0.000 1.298 503 W HN -0.048 nan 8.180 nan 0.000 0.525 504 P HA 0.092 nan 4.420 nan 0.000 0.266 504 P C 0.943 178.326 177.300 0.139 0.000 1.381 504 P CA 0.181 63.357 63.100 0.126 0.000 0.940 504 P CB 0.353 31.964 31.700 -0.147 0.000 1.435 505 R N 0.460 121.045 120.500 0.142 0.000 2.127 505 R HA -0.065 4.275 4.340 0.000 0.000 0.238 505 R C 2.029 178.477 176.300 0.247 0.000 1.134 505 R CA 1.704 57.961 56.100 0.260 0.000 0.975 505 R CB -0.853 29.611 30.300 0.273 0.000 0.865 505 R HN 0.177 nan 8.270 nan 0.000 0.447 506 A N 0.303 123.154 122.820 0.051 0.000 2.067 506 A HA -0.012 4.308 4.320 0.000 0.000 0.217 506 A C 2.101 179.919 177.584 0.389 0.000 1.156 506 A CA 0.787 52.819 52.037 -0.008 0.000 0.683 506 A CB -0.037 18.617 19.000 -0.576 0.000 0.808 506 A HN 0.151 nan 8.150 nan 0.000 0.455 507 S N 0.328 116.344 115.700 0.526 0.000 2.399 507 S HA -0.081 4.389 4.470 0.000 0.000 0.231 507 S C 2.263 177.374 174.600 0.852 0.000 1.022 507 S CA 1.077 59.694 58.200 0.694 0.000 0.983 507 S CB -0.389 62.986 63.200 0.291 0.000 0.803 507 S HN 0.783 nan 8.310 nan 0.000 0.480 508 A N 1.474 124.704 122.820 0.683 0.000 1.851 508 A HA -0.110 4.210 4.320 0.000 0.000 0.216 508 A C 2.341 180.258 177.584 0.553 0.000 1.195 508 A CA 1.890 54.458 52.037 0.884 0.000 0.622 508 A CB -1.206 18.316 19.000 0.871 0.000 0.831 508 A HN 0.333 nan 8.150 nan 0.000 0.444 509 V N 0.119 120.177 119.914 0.240 0.000 2.324 509 V HA -0.273 3.848 4.120 0.000 0.000 0.250 509 V C 2.790 178.849 176.094 -0.058 0.000 1.060 509 V CA 2.159 64.337 62.300 -0.204 0.000 1.042 509 V CB -1.580 30.018 31.823 -0.374 0.000 0.650 509 V HN 0.678 nan 8.190 nan 0.000 0.450 510 G N -0.974 107.985 108.800 0.266 0.000 2.442 510 G HA2 -0.312 3.648 3.960 0.000 0.000 0.219 510 G HA3 -0.312 3.648 3.960 0.000 0.000 0.219 510 G C 1.549 176.446 174.900 -0.005 0.000 1.141 510 G CA 1.074 46.194 45.100 0.033 0.000 0.763 510 G HN 0.602 nan 8.290 nan 0.000 0.554 511 E N -0.161 120.067 120.200 0.048 0.000 2.051 511 E HA -0.061 4.289 4.350 0.000 0.000 0.189 511 E C 2.513 179.060 176.600 -0.090 0.000 0.979 511 E CA 0.545 56.822 56.400 -0.205 0.000 0.803 511 E CB -0.050 29.285 29.700 -0.608 0.000 0.761 511 E HN 0.198 nan 8.360 nan 0.000 0.451 512 R N 0.852 121.285 120.500 -0.112 0.000 2.112 512 R HA -0.147 4.193 4.340 0.000 0.000 0.242 512 R C 2.162 178.496 176.300 0.056 0.000 1.137 512 R CA 1.765 57.804 56.100 -0.100 0.000 0.944 512 R CB -0.838 29.401 30.300 -0.102 0.000 0.857 512 R HN 0.302 nan 8.270 nan 0.000 0.435 513 L N -1.121 120.112 121.223 0.016 0.000 2.217 513 L HA -0.118 4.222 4.340 0.000 0.000 0.211 513 L C 2.336 179.398 176.870 0.319 0.000 1.107 513 L CA 0.915 55.852 54.840 0.161 0.000 0.783 513 L CB -0.442 41.586 42.059 -0.052 0.000 0.919 513 L HN 0.401 nan 8.230 nan 0.000 0.442 514 W N 0.374 121.675 121.300 0.001 0.000 2.601 514 W HA 0.102 4.762 4.660 0.000 0.000 0.292 514 W C 1.064 177.571 176.519 -0.021 0.000 1.153 514 W CA 0.242 57.581 57.345 -0.010 0.000 1.448 514 W CB -0.082 29.335 29.460 -0.072 0.000 1.113 514 W HN -0.093 nan 8.180 nan 0.000 0.548 515 S N 1.367 117.249 115.700 0.303 0.000 2.600 515 S HA 0.122 4.592 4.470 0.000 0.000 0.265 515 S C 0.272 174.907 174.600 0.058 0.000 1.325 515 S CA -0.460 57.849 58.200 0.182 0.000 1.002 515 S CB 1.309 64.546 63.200 0.062 0.000 0.921 515 S HN 0.034 nan 8.310 nan 0.000 0.554 516 S N 0.791 116.507 115.700 0.027 0.000 2.560 516 S HA 0.006 4.476 4.470 0.000 0.000 0.276 516 S C 1.560 176.171 174.600 0.017 0.000 1.350 516 S CA -0.275 57.924 58.200 -0.002 0.000 1.024 516 S CB 0.307 63.505 63.200 -0.004 0.000 0.864 516 S HN 0.688 nan 8.310 nan 0.000 0.536 517 K N 1.014 121.421 120.400 0.012 0.000 2.103 517 K HA -0.167 4.153 4.320 0.000 0.000 0.207 517 K C 0.417 177.037 176.600 0.034 0.000 1.048 517 K CA 1.712 58.019 56.287 0.032 0.000 0.930 517 K CB -0.263 32.248 32.500 0.019 0.000 0.716 517 K HN 0.701 nan 8.250 nan 0.000 0.444 518 D N 0.299 120.716 120.400 0.028 0.000 2.538 518 D HA 0.018 4.658 4.640 0.000 0.000 0.234 518 D C -0.345 175.989 176.300 0.056 0.000 1.191 518 D CA -0.156 53.868 54.000 0.039 0.000 0.828 518 D CB 0.285 41.102 40.800 0.028 0.000 0.981 518 D HN -0.174 nan 8.370 nan 0.000 0.490 519 V N 1.229 121.181 119.914 0.063 0.000 2.217 519 V HA 0.299 4.419 4.120 0.000 0.000 0.264 519 V C 0.840 177.041 176.094 0.177 0.000 1.107 519 V CA -0.484 61.874 62.300 0.097 0.000 0.913 519 V CB 0.075 31.937 31.823 0.064 0.000 1.153 519 V HN 0.179 nan 8.190 nan 0.000 0.469 520 R N 0.655 121.285 120.500 0.218 0.000 2.531 520 R HA 0.185 4.525 4.340 0.000 0.000 0.316 520 R C 0.039 176.530 176.300 0.319 0.000 0.955 520 R CA -0.499 55.797 56.100 0.326 0.000 1.120 520 R CB 0.740 31.156 30.300 0.194 0.000 1.361 520 R HN 0.567 nan 8.270 nan 0.000 0.534 521 D N 1.249 121.785 120.400 0.228 0.000 2.363 521 D HA -0.019 4.621 4.640 0.000 0.000 0.263 521 D C 1.132 177.525 176.300 0.155 0.000 1.258 521 D CA 0.038 54.133 54.000 0.158 0.000 0.907 521 D CB 0.842 41.714 40.800 0.119 0.000 1.107 521 D HN -0.180 nan 8.370 nan 0.000 0.495 522 M N 2.824 122.495 119.600 0.117 0.000 2.108 522 M HA -0.118 4.362 4.480 0.000 0.000 0.261 522 M C 1.207 177.597 176.300 0.149 0.000 1.066 522 M CA 1.633 56.988 55.300 0.092 0.000 1.107 522 M CB -0.421 32.191 32.600 0.020 0.000 1.356 522 M HN 0.460 nan 8.290 nan 0.000 0.406 523 D N -0.714 119.748 120.400 0.103 0.000 2.144 523 D HA -0.163 4.477 4.640 0.000 0.000 0.199 523 D C 1.660 178.062 176.300 0.170 0.000 0.984 523 D CA 1.449 55.512 54.000 0.105 0.000 0.834 523 D CB -0.138 40.691 40.800 0.048 0.000 0.955 523 D HN 0.461 nan 8.370 nan 0.000 0.465 524 D N -0.400 120.091 120.400 0.152 0.000 2.137 524 D HA 0.020 4.660 4.640 0.000 0.000 0.202 524 D C 2.011 178.432 176.300 0.202 0.000 0.970 524 D CA 1.141 55.232 54.000 0.152 0.000 0.837 524 D CB -0.036 40.838 40.800 0.123 0.000 0.981 524 D HN 0.097 nan 8.370 nan 0.000 0.475 525 A N -0.304 122.653 122.820 0.229 0.000 1.883 525 A HA -0.219 4.101 4.320 0.000 0.000 0.217 525 A C 2.208 179.945 177.584 0.255 0.000 1.186 525 A CA 1.711 53.928 52.037 0.300 0.000 0.624 525 A CB -1.443 17.572 19.000 0.024 0.000 0.822 525 A HN 0.537 nan 8.150 nan 0.000 0.444 526 Y N 0.750 121.166 120.300 0.194 0.000 2.097 526 Y HA -0.291 4.259 4.550 0.000 0.000 0.282 526 Y C 2.246 178.123 175.900 -0.038 0.000 1.152 526 Y CA 2.358 60.501 58.100 0.073 0.000 1.136 526 Y CB -0.332 38.240 38.460 0.187 0.000 0.975 526 Y HN 0.420 nan 8.280 nan 0.000 0.498 527 D N -0.192 120.327 120.400 0.198 0.000 2.133 527 D HA -0.198 4.442 4.640 0.000 0.000 0.195 527 D C 2.156 178.428 176.300 -0.046 0.000 0.997 527 D CA 1.728 55.776 54.000 0.080 0.000 0.840 527 D CB -0.149 40.725 40.800 0.125 0.000 0.947 527 D HN 0.411 nan 8.370 nan 0.000 0.452 528 R N -0.747 119.769 120.500 0.026 0.000 2.093 528 R HA -0.015 4.325 4.340 0.000 0.000 0.224 528 R C 2.221 178.464 176.300 -0.095 0.000 1.101 528 R CA 0.290 56.425 56.100 0.058 0.000 0.979 528 R CB -0.245 30.212 30.300 0.262 0.000 0.877 528 R HN 0.177 nan 8.270 nan 0.000 0.441 529 L N 1.138 122.157 121.223 -0.340 0.000 2.027 529 L HA -0.162 4.178 4.340 0.000 0.000 0.206 529 L C 2.397 178.896 176.870 -0.620 0.000 1.074 529 L CA 2.308 56.663 54.840 -0.809 0.000 0.745 529 L CB -0.972 40.356 42.059 -1.219 0.000 0.898 529 L HN 0.298 nan 8.230 nan 0.000 0.433 530 T N -2.901 111.281 114.554 -0.620 0.000 2.737 530 T HA -0.287 4.063 4.350 0.000 0.000 0.269 530 T C 2.077 176.566 174.700 -0.352 0.000 1.040 530 T CA 1.699 63.487 62.100 -0.520 0.000 1.142 530 T CB -0.499 68.028 68.868 -0.567 0.000 0.861 530 T HN 0.333 nan 8.240 nan 0.000 0.456 531 R N -0.517 119.816 120.500 -0.279 0.000 2.193 531 R HA 0.132 4.473 4.340 0.000 0.000 0.213 531 R C 2.590 178.790 176.300 -0.168 0.000 1.055 531 R CA 0.856 56.834 56.100 -0.204 0.000 0.995 531 R CB -0.313 29.896 30.300 -0.151 0.000 0.893 531 R HN 0.659 nan 8.270 nan 0.000 0.459 532 H N 0.207 119.090 119.070 -0.311 0.000 2.448 532 H HA 0.050 4.606 4.556 0.000 0.000 0.292 532 H C 2.054 177.169 175.328 -0.355 0.000 1.035 532 H CA 0.558 56.418 56.048 -0.314 0.000 1.349 532 H CB 0.409 29.950 29.762 -0.368 0.000 1.425 532 H HN -0.016 nan 8.280 nan 0.000 0.539 533 R N 0.827 121.068 120.500 -0.432 0.000 2.096 533 R HA -0.103 4.237 4.340 0.000 0.000 0.235 533 R C 2.153 178.241 176.300 -0.353 0.000 1.127 533 R CA 1.395 57.243 56.100 -0.420 0.000 0.968 533 R CB -0.929 29.152 30.300 -0.365 0.000 0.861 533 R HN 0.367 nan 8.270 nan 0.000 0.440 534 c N 0.129 118.545 118.600 -0.307 0.000 2.446 534 c HA 0.026 4.596 4.570 0.000 0.000 0.277 534 c C 2.862 176.782 174.090 -0.284 0.000 1.275 534 c CA 0.736 56.908 56.329 -0.261 0.000 1.727 534 c CB -0.992 41.375 42.510 -0.237 0.000 2.010 534 c HN 0.529 nan 8.230 nan 0.000 0.486 535 R N 0.252 120.559 120.500 -0.322 0.000 2.115 535 R HA -0.064 4.277 4.340 0.000 0.000 0.230 535 R C 2.205 178.198 176.300 -0.513 0.000 1.111 535 R CA 1.312 57.198 56.100 -0.357 0.000 0.976 535 R CB -0.239 29.881 30.300 -0.299 0.000 0.870 535 R HN 0.491 nan 8.270 nan 0.000 0.445 536 M N -0.269 118.979 119.600 -0.588 0.000 2.067 536 M HA -0.180 4.300 4.480 0.000 0.000 0.260 536 M C 2.208 178.254 176.300 -0.423 0.000 1.069 536 M CA 1.562 56.492 55.300 -0.618 0.000 1.117 536 M CB -0.122 32.129 32.600 -0.581 0.000 1.334 536 M HN 0.057 nan 8.290 nan 0.000 0.407 537 V N 0.376 120.105 119.914 -0.309 0.000 2.332 537 V HA -0.292 3.828 4.120 0.000 0.000 0.248 537 V C 1.962 177.944 176.094 -0.187 0.000 1.055 537 V CA 1.989 64.166 62.300 -0.205 0.000 1.038 537 V CB -0.709 31.017 31.823 -0.162 0.000 0.651 537 V HN 0.493 nan 8.190 nan 0.000 0.450 538 E N -0.536 119.533 120.200 -0.220 0.000 2.204 538 E HA -0.146 4.205 4.350 0.000 0.000 0.195 538 E C 2.004 178.497 176.600 -0.177 0.000 0.990 538 E CA 0.663 56.959 56.400 -0.175 0.000 0.821 538 E CB -0.019 29.577 29.700 -0.174 0.000 0.750 538 E HN 0.513 nan 8.360 nan 0.000 0.477 539 R N -0.794 119.529 120.500 -0.295 0.000 2.426 539 R HA 0.138 4.478 4.340 0.000 0.000 0.263 539 R C 0.589 176.813 176.300 -0.126 0.000 0.961 539 R CA 0.433 56.361 56.100 -0.287 0.000 1.086 539 R CB 0.785 30.612 30.300 -0.788 0.000 1.186 539 R HN 0.164 nan 8.270 nan 0.000 0.537 540 G N 1.257 109.995 108.800 -0.103 0.000 2.147 540 G HA2 -0.214 3.747 3.960 0.000 0.000 0.244 540 G HA3 -0.214 3.747 3.960 0.000 0.000 0.244 540 G C -0.024 174.854 174.900 -0.037 0.000 1.005 540 G CA -0.326 44.750 45.100 -0.040 0.000 0.713 540 G HN 0.180 nan 8.290 nan 0.000 0.515 541 I N 1.045 121.557 120.570 -0.097 0.000 2.328 541 I HA 0.530 4.700 4.170 0.000 0.000 0.287 541 I C 1.030 177.099 176.117 -0.079 0.000 1.012 541 I CA -0.814 60.434 61.300 -0.087 0.000 1.195 541 I CB 0.952 38.839 38.000 -0.188 0.000 1.350 541 I HN 0.306 nan 8.210 nan 0.000 0.464 542 A N 6.152 128.964 122.820 -0.013 0.000 3.048 542 A HA 0.499 4.819 4.320 0.000 0.000 0.264 542 A C 0.941 178.541 177.584 0.028 0.000 1.796 542 A CA -0.289 51.746 52.037 -0.003 0.000 1.445 542 A CB -0.704 18.304 19.000 0.012 0.000 1.074 542 A HN 0.767 nan 8.150 nan 0.000 0.621 543 A N 1.592 124.411 122.820 -0.002 0.000 2.388 543 A HA 0.495 4.815 4.320 0.000 0.000 0.257 543 A C 0.622 178.201 177.584 -0.008 0.000 1.095 543 A CA -0.485 51.573 52.037 0.035 0.000 0.791 543 A CB 0.170 19.155 19.000 -0.025 0.000 1.029 543 A HN 0.862 nan 8.150 nan 0.000 0.489 544 Q N 2.521 122.330 119.800 0.015 0.000 2.354 544 Q HA 0.489 4.830 4.340 0.000 0.000 0.244 544 Q C -2.533 173.449 176.000 -0.030 0.000 0.969 544 Q CA -1.782 54.023 55.803 0.002 0.000 0.885 544 Q CB 0.497 29.253 28.738 0.030 0.000 1.241 544 Q HN 0.471 nan 8.270 nan 0.000 0.461 545 P HA 0.062 nan 4.420 nan 0.000 0.279 545 P C 0.063 177.362 177.300 -0.003 0.000 1.239 545 P CA -0.197 62.880 63.100 -0.038 0.000 0.789 545 P CB 0.971 32.662 31.700 -0.015 0.000 0.933 546 L N 1.748 122.946 121.223 -0.042 0.000 2.217 546 L HA 0.030 4.370 4.340 0.000 0.000 0.211 546 L C 0.803 177.851 176.870 0.298 0.000 1.107 546 L CA 1.543 56.408 54.840 0.041 0.000 0.783 546 L CB -0.455 41.487 42.059 -0.194 0.000 0.919 546 L HN 0.446 nan 8.230 nan 0.000 0.442 547 Y N -2.013 118.337 120.300 0.083 0.000 2.774 547 Y HA 0.472 5.022 4.550 0.000 0.000 0.346 547 Y C -0.728 175.230 175.900 0.097 0.000 1.222 547 Y CA -1.383 56.796 58.100 0.131 0.000 1.088 547 Y CB 0.680 39.285 38.460 0.242 0.000 1.354 547 Y HN -0.197 nan 8.280 nan 0.000 0.455 548 A N 1.775 124.390 122.820 -0.342 0.000 2.587 548 A HA 0.440 4.761 4.320 0.000 0.000 0.235 548 A C 0.691 178.355 177.584 0.134 0.000 1.044 548 A CA 1.682 53.645 52.037 -0.123 0.000 0.754 548 A CB -1.056 17.809 19.000 -0.226 0.000 0.968 548 A HN 1.886 nan 8.150 nan 0.000 0.509 549 G N 0.393 109.265 108.800 0.120 0.000 2.404 549 G HA2 0.589 4.550 3.960 0.000 0.000 0.253 549 G HA3 0.589 4.550 3.960 0.000 0.000 0.253 549 G C -0.925 174.147 174.900 0.287 0.000 1.253 549 G CA 0.353 45.579 45.100 0.211 0.000 0.917 549 G HN 2.326 nan 8.290 nan 0.000 0.480 550 Y N -2.251 118.035 120.300 -0.023 0.000 2.741 550 Y HA 0.766 5.316 4.550 0.000 0.000 0.339 550 Y C -0.481 175.384 175.900 -0.059 0.000 1.226 550 Y CA -1.689 56.386 58.100 -0.041 0.000 1.072 550 Y CB 0.273 38.713 38.460 -0.034 0.000 1.331 550 Y HN 0.910 nan 8.280 nan 0.000 0.453 551 c N 1.581 120.089 118.600 -0.153 0.000 2.564 551 c HA 0.768 5.338 4.570 0.000 0.000 0.381 551 c C -0.438 173.516 174.090 -0.225 0.000 1.297 551 c CA -0.179 55.993 56.329 -0.261 0.000 1.846 551 c CB 0.731 43.150 42.510 -0.152 0.000 2.198 551 c HN 1.048 nan 8.230 nan 0.000 0.507 552 N N 0.000 118.587 118.700 -0.189 0.000 1.763 552 N HA 0.000 4.740 4.740 0.000 0.000 0.220 552 N CA 0.000 52.985 53.050 -0.109 0.000 0.885 552 N CB 0.000 38.477 38.487 -0.016 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667