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 1ggu_1_B DATA FIRST_RESID 8 DATA SEQUENCE FGGRRAVPPN NSNAAEDDLP TVELQGVVXX XXXXQEFLNV TSVHLFKERW DATA SEQUENCE DTNKVDHHTD KYENNKLIVR RGQSFYVQID FSRPYDPRRD LFRVEYVIGR DATA SEQUENCE YPQENKGTYI PVPIVSELQS GKWGAKIVMR EDRSVRLSIQ SSPKCIVGKF DATA SEQUENCE RMYVAVWTPY GVLRTSRNPE TDTYILFNPW CEDDAVYLDN EKEREEYVLN DATA SEQUENCE DIGVIFYGEV NDIKTRSWSY GQFEDGILDT CLYVMDRAQM DLSGRGNPIK DATA SEQUENCE VSRVGSAMVN AKDDEGVLVG SWDNIYAYGV PPSAWTGSVD ILLEYRSSEN DATA SEQUENCE PVRYGQCWVF AGVFNTFLRC LGIPARIVTN YFSAHDNDAN LQMDIFLEED DATA SEQUENCE GNVNSKLTKD SVWNYHCWNE AWMTRPDLPV GFGGWQAVDS TPQENSDGMY DATA SEQUENCE RCGPASVQAI KHGHVCFQFD APFVFAEVNS DLIYITAKKD GTHVVENVDA DATA SEQUENCE THIGKLIVTK QIGGDGMMDI TDTYKFQEGQ EEERLALETA LMYGAKKPLN DATA SEQUENCE TXXXXXXXSN VDMDFEVENA VLGKDFKLSI TFRNNSHNRY TITAYLSANI DATA SEQUENCE TFYTGVPKAE FKKETFDVTL EPLSFKKEAV LIQAGEYMGQ LLEQASLHFF DATA SEQUENCE VTARINETRD VLAKQKSTVL TIPEIIIKVR GTQVVGSDMT VTVEFTNPLK DATA SEQUENCE ETLRNVWVHL DGPGVTRPMK KMFREIRPNS TVQWEEVCRP WVSGHRKLIA DATA SEQUENCE SMSSDSLRHV YGELDVQIQR 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 8 F HA 0.000 nan 4.527 nan 0.000 0.279 8 F C 0.000 175.792 175.800 -0.013 0.000 0.967 8 F CA 0.000 57.994 58.000 -0.009 0.000 1.383 8 F CB 0.000 38.995 39.000 -0.009 0.000 1.145 9 G N 0.966 109.403 108.800 -0.605 0.000 3.329 9 G HA2 0.479 4.439 3.960 0.001 0.000 0.313 9 G HA3 0.479 4.439 3.960 0.001 0.000 0.313 9 G C 0.216 174.518 174.900 -0.997 0.000 1.611 9 G CA -0.015 44.779 45.100 -0.511 0.000 0.991 9 G HN 1.236 nan 8.290 nan 0.000 0.508 10 G N 1.055 109.315 108.800 -0.901 0.000 2.920 10 G HA2 0.019 3.980 3.960 0.001 0.000 0.208 10 G HA3 0.019 3.980 3.960 0.001 0.000 0.208 10 G C 1.513 176.245 174.900 -0.280 0.000 1.159 10 G CA 0.117 44.799 45.100 -0.697 0.000 0.784 10 G HN 0.537 nan 8.290 nan 0.000 0.535 11 R N 1.291 121.640 120.500 -0.252 0.000 2.062 11 R HA 0.079 4.419 4.340 0.001 0.000 0.229 11 R C 1.135 177.352 176.300 -0.139 0.000 1.128 11 R CA 0.913 56.924 56.100 -0.147 0.000 0.960 11 R CB -0.057 30.166 30.300 -0.127 0.000 0.855 11 R HN 0.423 nan 8.270 nan 0.000 0.432 12 R N -2.302 118.088 120.500 -0.183 0.000 2.626 12 R HA 0.583 4.924 4.340 0.001 0.000 0.274 12 R C 0.118 176.311 176.300 -0.179 0.000 1.031 12 R CA -0.037 55.972 56.100 -0.150 0.000 0.898 12 R CB 1.317 31.539 30.300 -0.131 0.000 1.222 12 R HN -0.022 nan 8.270 nan 0.000 0.455 13 A N 2.314 125.058 122.820 -0.126 0.000 1.933 13 A HA -0.021 4.299 4.320 0.001 0.000 0.218 13 A C 0.883 178.392 177.584 -0.124 0.000 1.175 13 A CA 1.690 53.665 52.037 -0.103 0.000 0.628 13 A CB -0.015 18.958 19.000 -0.046 0.000 0.814 13 A HN 0.497 nan 8.150 nan 0.000 0.444 14 V N -0.339 119.485 119.914 -0.150 0.000 2.638 14 V HA 0.570 4.690 4.120 0.001 0.000 0.306 14 V C -3.032 172.848 176.094 -0.356 0.000 1.052 14 V CA -2.528 59.635 62.300 -0.229 0.000 0.885 14 V CB 1.844 33.583 31.823 -0.140 0.000 0.999 14 V HN 0.175 nan 8.190 nan 0.000 0.424 15 P HA 0.199 nan 4.420 nan 0.000 0.269 15 P C -2.701 174.289 177.300 -0.516 0.000 1.211 15 P CA -0.581 62.165 63.100 -0.590 0.000 0.781 15 P CB -0.149 31.084 31.700 -0.778 0.000 0.877 16 P HA -0.016 nan 4.420 nan 0.000 0.267 16 P C -0.425 176.891 177.300 0.027 0.000 1.205 16 P CA 0.229 63.271 63.100 -0.096 0.000 0.765 16 P CB 0.258 31.927 31.700 -0.052 0.000 0.828 17 N N 3.084 121.844 118.700 0.100 0.000 2.868 17 N HA 0.034 4.774 4.740 0.001 0.000 0.252 17 N C 0.402 175.975 175.510 0.105 0.000 1.130 17 N CA -0.226 52.948 53.050 0.206 0.000 1.026 17 N CB -0.879 37.717 38.487 0.181 0.000 1.335 17 N HN 0.441 nan 8.380 nan 0.000 0.516 18 N N -0.216 118.541 118.700 0.095 0.000 2.299 18 N HA 0.073 4.813 4.740 0.001 0.000 0.246 18 N C -0.765 174.769 175.510 0.040 0.000 1.254 18 N CA -0.545 52.536 53.050 0.053 0.000 0.879 18 N CB 0.575 39.084 38.487 0.037 0.000 1.214 18 N HN 0.009 nan 8.380 nan 0.000 0.510 19 S N 0.310 116.033 115.700 0.039 0.000 2.557 19 S HA 0.254 4.724 4.470 0.001 0.000 0.291 19 S C 0.064 174.658 174.600 -0.010 0.000 1.116 19 S CA -0.723 57.489 58.200 0.019 0.000 0.992 19 S CB 1.704 64.919 63.200 0.026 0.000 1.028 19 S HN 0.368 nan 8.310 nan 0.000 0.484 20 N N 3.290 121.978 118.700 -0.020 0.000 2.333 20 N HA 0.053 4.794 4.740 0.001 0.000 0.178 20 N C 1.714 177.189 175.510 -0.058 0.000 1.018 20 N CA 0.886 53.896 53.050 -0.068 0.000 0.882 20 N CB -0.155 38.293 38.487 -0.065 0.000 0.984 20 N HN 0.652 nan 8.380 nan 0.000 0.434 21 A N 0.552 123.365 122.820 -0.013 0.000 2.015 21 A HA 0.262 4.582 4.320 0.001 0.000 0.219 21 A C 1.024 178.595 177.584 -0.022 0.000 1.163 21 A CA 0.731 52.765 52.037 -0.004 0.000 0.646 21 A CB -0.454 18.572 19.000 0.043 0.000 0.806 21 A HN 0.402 nan 8.150 nan 0.000 0.448 22 A N 0.509 123.311 122.820 -0.030 0.000 2.371 22 A HA 0.542 4.862 4.320 0.001 0.000 0.257 22 A C -0.002 177.530 177.584 -0.086 0.000 1.089 22 A CA -0.089 51.914 52.037 -0.056 0.000 0.794 22 A CB 0.109 19.074 19.000 -0.058 0.000 1.029 22 A HN 0.611 nan 8.150 nan 0.000 0.488 23 E N 1.400 121.540 120.200 -0.101 0.000 2.343 23 E HA 0.440 4.791 4.350 0.001 0.000 0.278 23 E C -1.591 174.933 176.600 -0.127 0.000 0.910 23 E CA -0.955 55.386 56.400 -0.097 0.000 0.757 23 E CB 1.516 31.190 29.700 -0.042 0.000 1.218 23 E HN 0.654 nan 8.360 nan 0.000 0.435 24 D N 1.558 121.874 120.400 -0.141 0.000 2.511 24 D HA 0.230 4.870 4.640 0.001 0.000 0.276 24 D C -0.629 175.616 176.300 -0.092 0.000 1.220 24 D CA -0.371 53.539 54.000 -0.150 0.000 1.077 24 D CB 0.679 41.371 40.800 -0.179 0.000 1.126 24 D HN 0.320 nan 8.370 nan 0.000 0.583 25 D N 0.033 120.375 120.400 -0.097 0.000 2.425 25 D HA 0.308 4.948 4.640 0.001 0.000 0.240 25 D C -0.411 175.809 176.300 -0.133 0.000 1.080 25 D CA -0.394 53.559 54.000 -0.080 0.000 0.836 25 D CB 1.481 42.244 40.800 -0.062 0.000 1.125 25 D HN 0.243 nan 8.370 nan 0.000 0.525 26 L N 4.668 125.772 121.223 -0.198 0.000 2.331 26 L HA 0.278 4.618 4.340 0.001 0.000 0.278 26 L C -1.705 175.028 176.870 -0.228 0.000 1.106 26 L CA -1.433 53.222 54.840 -0.308 0.000 0.824 26 L CB 0.949 42.632 42.059 -0.627 0.000 1.142 26 L HN 0.121 nan 8.230 nan 0.000 0.443 27 P HA 0.044 nan 4.420 nan 0.000 0.271 27 P C 0.407 177.620 177.300 -0.145 0.000 1.216 27 P CA -0.308 62.705 63.100 -0.144 0.000 0.776 27 P CB 0.827 32.444 31.700 -0.138 0.000 0.881 28 T N -1.411 113.087 114.554 -0.095 0.000 3.113 28 T HA 0.164 4.514 4.350 0.001 0.000 0.256 28 T C 0.606 175.253 174.700 -0.088 0.000 1.131 28 T CA 0.117 62.173 62.100 -0.073 0.000 1.074 28 T CB -0.139 68.708 68.868 -0.034 0.000 0.944 28 T HN 0.254 nan 8.240 nan 0.000 0.516 29 V N 2.154 122.006 119.914 -0.102 0.000 2.737 29 V HA 0.377 4.497 4.120 0.001 0.000 0.298 29 V C -1.432 174.591 176.094 -0.118 0.000 1.163 29 V CA -1.110 61.126 62.300 -0.108 0.000 0.925 29 V CB 1.997 33.777 31.823 -0.072 0.000 1.037 29 V HN 0.592 nan 8.190 nan 0.000 0.433 30 E N 5.955 126.067 120.200 -0.146 0.000 2.731 30 E HA 0.633 4.984 4.350 0.001 0.000 0.248 30 E C -1.181 175.347 176.600 -0.119 0.000 1.084 30 E CA -0.639 55.681 56.400 -0.135 0.000 0.776 30 E CB 1.433 31.034 29.700 -0.166 0.000 1.404 30 E HN 0.497 nan 8.360 nan 0.000 0.395 31 L N 1.411 122.587 121.223 -0.079 0.000 2.416 31 L HA 0.589 4.930 4.340 0.001 0.000 0.263 31 L C -0.060 176.795 176.870 -0.024 0.000 1.065 31 L CA -1.064 53.753 54.840 -0.038 0.000 0.798 31 L CB 1.560 43.603 42.059 -0.027 0.000 1.267 31 L HN 0.596 nan 8.230 nan 0.000 0.467 32 Q N -0.182 119.624 119.800 0.009 0.000 2.507 32 Q HA 0.462 4.802 4.340 0.001 0.000 0.242 32 Q C -0.703 175.315 176.000 0.029 0.000 0.911 32 Q CA 0.372 56.178 55.803 0.005 0.000 1.019 32 Q CB 1.821 30.561 28.738 0.003 0.000 1.523 32 Q HN 0.902 nan 8.270 nan 0.000 0.459 33 G N 1.006 109.808 108.800 0.004 0.000 2.436 33 G HA2 0.186 4.146 3.960 0.001 0.000 0.205 33 G HA3 0.186 4.146 3.960 0.001 0.000 0.205 33 G C -0.598 174.282 174.900 -0.033 0.000 1.188 33 G CA 0.041 45.148 45.100 0.011 0.000 1.267 33 G HN 1.328 nan 8.290 nan 0.000 0.536 34 V N -0.856 119.022 119.914 -0.060 0.000 6.652 34 V HA 1.155 5.275 4.120 0.001 0.000 0.274 34 V C 1.204 177.123 176.094 -0.291 0.000 1.662 34 V CA 0.968 63.194 62.300 -0.123 0.000 0.592 34 V CB 0.495 32.284 31.823 -0.057 0.000 1.533 34 V HN 2.639 nan 8.190 nan 0.000 0.374 43 E N 0.491 120.724 120.200 0.055 0.000 1.941 43 E HA 0.174 4.525 4.350 0.001 0.000 0.275 43 E C 0.221 176.789 176.600 -0.054 0.000 1.113 43 E CA -0.004 56.426 56.400 0.051 0.000 0.878 43 E CB -0.102 29.605 29.700 0.012 0.000 1.070 43 E HN 0.165 nan 8.360 nan 0.000 0.399 44 F N 1.747 121.711 119.950 0.023 0.000 2.731 44 F HA 0.183 4.710 4.527 0.001 0.000 0.298 44 F C 0.163 175.957 175.800 -0.010 0.000 1.106 44 F CA -0.135 57.873 58.000 0.014 0.000 1.329 44 F CB 0.689 39.708 39.000 0.031 0.000 1.100 44 F HN 0.229 nan 8.300 nan 0.000 0.592 45 L N 0.429 121.754 121.223 0.170 0.000 5.724 45 L HA -0.002 4.339 4.340 0.001 0.000 0.234 45 L C -1.351 175.601 176.870 0.136 0.000 1.210 45 L CA -0.588 54.294 54.840 0.070 0.000 0.659 45 L CB -0.505 41.496 42.059 -0.096 0.000 1.390 45 L HN 0.203 nan 8.230 nan 0.000 0.133 46 N N 1.937 120.737 118.700 0.166 0.000 2.258 46 N HA 0.787 5.527 4.740 0.001 0.000 0.299 46 N C -0.931 174.698 175.510 0.199 0.000 1.047 46 N CA -0.406 52.735 53.050 0.152 0.000 0.814 46 N CB 2.447 40.995 38.487 0.102 0.000 1.413 46 N HN 0.608 nan 8.380 nan 0.000 0.478 47 V N 2.807 122.801 119.914 0.134 0.000 2.530 47 V HA 0.318 4.439 4.120 0.001 0.000 0.282 47 V C 1.147 177.215 176.094 -0.043 0.000 1.048 47 V CA 0.552 62.852 62.300 -0.001 0.000 0.997 47 V CB 0.846 32.595 31.823 -0.122 0.000 0.987 47 V HN 0.963 nan 8.190 nan 0.000 0.477 48 T N 2.185 116.689 114.554 -0.083 0.000 2.939 48 T HA 0.244 4.595 4.350 0.001 0.000 0.254 48 T C 0.827 175.464 174.700 -0.105 0.000 1.041 48 T CA 0.695 62.760 62.100 -0.058 0.000 1.142 48 T CB -0.218 68.636 68.868 -0.024 0.000 0.874 48 T HN 1.674 nan 8.240 nan 0.000 0.452 49 S N -0.866 114.720 115.700 -0.190 0.000 2.595 49 S HA 0.619 5.090 4.470 0.001 0.000 0.270 49 S C -1.788 172.526 174.600 -0.476 0.000 1.145 49 S CA -0.900 57.126 58.200 -0.289 0.000 0.825 49 S CB 1.711 64.775 63.200 -0.226 0.000 1.107 49 S HN 0.261 nan 8.310 nan 0.000 0.461 50 V N 2.489 122.034 119.914 -0.615 0.000 2.735 50 V HA 0.626 4.747 4.120 0.001 0.000 0.310 50 V C -1.270 174.316 176.094 -0.846 0.000 1.061 50 V CA -0.543 61.410 62.300 -0.580 0.000 0.913 50 V CB 1.900 33.521 31.823 -0.337 0.000 1.005 50 V HN 0.986 nan 8.190 nan 0.000 0.428 51 H N 4.867 123.756 119.070 -0.301 0.000 2.906 51 H HA 0.514 5.070 4.556 0.001 0.000 0.324 51 H C -0.871 174.068 175.328 -0.648 0.000 0.973 51 H CA -0.391 55.379 56.048 -0.462 0.000 1.321 51 H CB 1.731 31.167 29.762 -0.543 0.000 1.535 51 H HN 0.411 nan 8.280 nan 0.000 0.518 52 L N 2.549 123.569 121.223 -0.339 0.000 2.379 52 L HA 0.334 4.674 4.340 0.001 0.000 0.269 52 L C -0.179 176.530 176.870 -0.268 0.000 1.084 52 L CA -0.695 54.033 54.840 -0.187 0.000 0.802 52 L CB 0.847 42.872 42.059 -0.056 0.000 1.175 52 L HN 0.399 nan 8.230 nan 0.000 0.448 53 F N 1.330 121.330 119.950 0.083 0.000 2.334 53 F HA 0.206 4.733 4.527 0.001 0.000 0.343 53 F C 1.075 176.825 175.800 -0.083 0.000 1.136 53 F CA -0.693 57.314 58.000 0.011 0.000 1.237 53 F CB 0.339 39.370 39.000 0.051 0.000 1.525 53 F HN 0.421 nan 8.300 nan 0.000 0.528 54 K N -0.320 120.077 120.400 -0.004 0.000 2.469 54 K HA 0.178 4.499 4.320 0.001 0.000 0.201 54 K C -0.139 176.344 176.600 -0.194 0.000 1.028 54 K CA -0.065 56.168 56.287 -0.090 0.000 1.170 54 K CB 0.312 32.768 32.500 -0.073 0.000 0.874 54 K HN 0.167 nan 8.250 nan 0.000 0.507 55 E N 1.877 121.860 120.200 -0.363 0.000 2.383 55 E HA 0.064 4.414 4.350 0.001 0.000 0.264 55 E C 0.638 176.859 176.600 -0.632 0.000 1.050 55 E CA -0.069 55.974 56.400 -0.594 0.000 0.896 55 E CB 0.866 29.887 29.700 -1.132 0.000 0.982 55 E HN 0.213 nan 8.360 nan 0.000 0.424 56 R N 1.734 121.981 120.500 -0.421 0.000 2.189 56 R HA -0.083 4.257 4.340 0.001 0.000 0.223 56 R C 1.828 178.033 176.300 -0.159 0.000 1.092 56 R CA 1.076 57.049 56.100 -0.212 0.000 0.989 56 R CB 0.018 30.283 30.300 -0.057 0.000 0.876 56 R HN 0.688 nan 8.270 nan 0.000 0.457 57 W N 0.425 121.736 121.300 0.019 0.000 3.077 57 W HA 0.223 4.884 4.660 0.001 0.000 0.266 57 W C 0.095 176.622 176.519 0.013 0.000 1.300 57 W CA -0.719 56.632 57.345 0.010 0.000 1.586 57 W CB -0.243 29.224 29.460 0.012 0.000 1.103 57 W HN -0.213 nan 8.180 nan 0.000 0.652 58 D N 1.717 121.798 120.400 -0.531 0.000 2.433 58 D HA -0.012 4.629 4.640 0.001 0.000 0.255 58 D C 1.800 178.057 176.300 -0.072 0.000 1.226 58 D CA 1.298 55.118 54.000 -0.299 0.000 1.015 58 D CB 1.826 42.245 40.800 -0.634 0.000 1.091 58 D HN -0.094 nan 8.370 nan 0.000 0.527 59 T N -1.128 113.432 114.554 0.010 0.000 2.995 59 T HA -0.093 4.257 4.350 0.001 0.000 0.269 59 T C 1.378 176.111 174.700 0.055 0.000 1.091 59 T CA 0.748 62.873 62.100 0.041 0.000 1.128 59 T CB -0.011 68.912 68.868 0.092 0.000 0.891 59 T HN 0.173 nan 8.240 nan 0.000 0.492 60 N N 1.859 120.603 118.700 0.074 0.000 2.028 60 N HA -0.016 4.724 4.740 0.001 0.000 0.194 60 N C 1.933 177.458 175.510 0.026 0.000 1.050 60 N CA 1.443 54.551 53.050 0.096 0.000 0.848 60 N CB -0.227 38.306 38.487 0.077 0.000 1.038 60 N HN 0.529 nan 8.380 nan 0.000 0.423 61 K N 0.381 120.741 120.400 -0.066 0.000 2.057 61 K HA 0.008 4.328 4.320 0.001 0.000 0.206 61 K C 2.050 178.584 176.600 -0.110 0.000 1.050 61 K CA 0.635 56.870 56.287 -0.087 0.000 0.935 61 K CB -0.268 32.168 32.500 -0.108 0.000 0.715 61 K HN -0.026 nan 8.250 nan 0.000 0.439 62 V N 2.205 122.048 119.914 -0.118 0.000 2.343 62 V HA -0.226 3.894 4.120 0.001 0.000 0.247 62 V C 1.447 177.339 176.094 -0.336 0.000 1.051 62 V CA 1.925 64.125 62.300 -0.167 0.000 1.036 62 V CB -0.370 31.403 31.823 -0.083 0.000 0.654 62 V HN 0.252 nan 8.190 nan 0.000 0.451 63 D N -1.629 118.612 120.400 -0.263 0.000 2.277 63 D HA -0.070 4.570 4.640 0.001 0.000 0.208 63 D C 1.913 177.826 176.300 -0.645 0.000 0.962 63 D CA 0.893 54.648 54.000 -0.408 0.000 0.865 63 D CB -0.190 40.492 40.800 -0.197 0.000 0.939 63 D HN 0.514 nan 8.370 nan 0.000 0.510 64 H N -0.522 118.276 119.070 -0.453 0.000 2.539 64 H HA 0.054 4.611 4.556 0.001 0.000 0.269 64 H C -0.086 175.030 175.328 -0.354 0.000 0.980 64 H CA 0.217 56.073 56.048 -0.319 0.000 1.152 64 H CB 0.178 29.837 29.762 -0.171 0.000 1.407 64 H HN 0.279 nan 8.280 nan 0.000 0.564 65 H N -0.059 118.838 119.070 -0.289 0.000 2.713 65 H HA -0.149 4.407 4.556 0.001 0.000 0.311 65 H C 0.919 176.179 175.328 -0.114 0.000 1.175 65 H CA 1.057 56.895 56.048 -0.351 0.000 1.143 65 H CB -2.034 27.213 29.762 -0.859 0.000 1.434 65 H HN 0.416 nan 8.280 nan 0.000 0.418 66 T N -4.076 110.502 114.554 0.041 0.000 3.091 66 T HA 0.015 4.365 4.350 0.001 0.000 0.277 66 T C 1.346 176.147 174.700 0.168 0.000 0.996 66 T CA 0.162 62.400 62.100 0.230 0.000 0.897 66 T CB 0.414 69.337 68.868 0.092 0.000 1.109 66 T HN 0.507 nan 8.240 nan 0.000 0.534 67 D N 1.853 122.247 120.400 -0.011 0.000 2.347 67 D HA -0.052 4.589 4.640 0.001 0.000 0.215 67 D C 1.483 177.728 176.300 -0.092 0.000 0.976 67 D CA 0.319 54.291 54.000 -0.047 0.000 0.884 67 D CB 0.002 40.759 40.800 -0.072 0.000 0.915 67 D HN 0.359 nan 8.370 nan 0.000 0.526 68 K N -0.443 119.791 120.400 -0.278 0.000 2.296 68 K HA -0.024 4.296 4.320 0.001 0.000 0.200 68 K C 0.030 176.479 176.600 -0.252 0.000 1.048 68 K CA 0.002 56.012 56.287 -0.462 0.000 0.966 68 K CB -0.069 31.736 32.500 -1.157 0.000 0.754 68 K HN 0.166 nan 8.250 nan 0.000 0.466 69 Y N 2.618 122.878 120.300 -0.066 0.000 2.650 69 Y HA -0.068 4.482 4.550 0.001 0.000 0.331 69 Y C 0.696 176.629 175.900 0.055 0.000 1.165 69 Y CA 0.030 58.207 58.100 0.128 0.000 1.473 69 Y CB 0.257 38.770 38.460 0.088 0.000 1.224 69 Y HN -0.076 nan 8.280 nan 0.000 0.533 70 E N 3.857 124.194 120.200 0.227 0.000 2.323 70 E HA -0.035 4.315 4.350 0.001 0.000 0.313 70 E C -0.476 176.173 176.600 0.081 0.000 1.236 70 E CA 0.110 56.580 56.400 0.117 0.000 1.333 70 E CB -0.549 29.201 29.700 0.083 0.000 1.138 70 E HN 0.471 nan 8.360 nan 0.000 0.492 71 N N 1.188 119.930 118.700 0.070 0.000 2.425 71 N HA 0.023 4.763 4.740 0.001 0.000 0.289 71 N C -0.035 175.478 175.510 0.005 0.000 1.074 71 N CA -0.347 52.712 53.050 0.017 0.000 0.905 71 N CB 0.967 39.416 38.487 -0.064 0.000 1.586 71 N HN 0.166 nan 8.380 nan 0.000 0.490 72 N N 1.469 120.175 118.700 0.010 0.000 2.434 72 N HA 0.011 4.751 4.740 0.001 0.000 0.196 72 N C -0.262 175.253 175.510 0.009 0.000 1.183 72 N CA 0.198 53.251 53.050 0.004 0.000 0.849 72 N CB 0.397 38.888 38.487 0.008 0.000 0.992 72 N HN 0.164 nan 8.380 nan 0.000 0.460 73 K N 0.555 120.976 120.400 0.035 0.000 2.106 73 K HA 0.247 4.567 4.320 0.001 0.000 0.246 73 K C -0.515 176.102 176.600 0.028 0.000 0.987 73 K CA -1.073 55.257 56.287 0.071 0.000 0.904 73 K CB 1.418 34.058 32.500 0.233 0.000 1.071 73 K HN 0.074 nan 8.250 nan 0.000 0.453 74 L N 2.107 123.337 121.223 0.012 0.000 2.410 74 L HA 0.261 4.601 4.340 0.001 0.000 0.273 74 L C -0.606 176.226 176.870 -0.065 0.000 1.144 74 L CA 0.549 55.348 54.840 -0.069 0.000 0.863 74 L CB -0.121 41.870 42.059 -0.113 0.000 1.140 74 L HN 0.413 nan 8.230 nan 0.000 0.463 75 I N 5.773 126.242 120.570 -0.168 0.000 2.447 75 I HA 0.476 4.646 4.170 0.001 0.000 0.287 75 I C -0.673 175.260 176.117 -0.307 0.000 1.023 75 I CA -0.562 60.610 61.300 -0.214 0.000 1.083 75 I CB 1.905 39.689 38.000 -0.360 0.000 1.245 75 I HN 0.326 nan 8.210 nan 0.000 0.434 76 V N 6.405 126.099 119.914 -0.367 0.000 3.040 76 V HA 0.557 4.677 4.120 0.001 0.000 0.312 76 V C -0.403 175.592 176.094 -0.164 0.000 1.115 76 V CA -0.680 61.291 62.300 -0.548 0.000 0.998 76 V CB 3.008 34.217 31.823 -1.023 0.000 1.042 76 V HN 0.641 nan 8.190 nan 0.000 0.433 77 R N 1.908 122.517 120.500 0.183 0.000 2.604 77 R HA 0.549 4.889 4.340 0.001 0.000 0.287 77 R C -0.281 176.094 176.300 0.126 0.000 0.970 77 R CA -0.841 55.371 56.100 0.186 0.000 0.946 77 R CB 1.649 32.119 30.300 0.284 0.000 1.127 77 R HN 0.775 nan 8.270 nan 0.000 0.473 78 R N 0.233 120.749 120.500 0.026 0.000 2.694 78 R HA 0.240 4.580 4.340 0.001 0.000 0.268 78 R C 0.424 176.698 176.300 -0.042 0.000 1.061 78 R CA 0.517 56.576 56.100 -0.068 0.000 1.133 78 R CB 0.277 30.516 30.300 -0.102 0.000 1.020 78 R HN 0.788 nan 8.270 nan 0.000 0.475 79 G N 0.189 108.898 108.800 -0.150 0.000 2.162 79 G HA2 -0.343 3.617 3.960 0.001 0.000 0.260 79 G HA3 -0.343 3.617 3.960 0.001 0.000 0.260 79 G C -0.130 174.713 174.900 -0.094 0.000 0.976 79 G CA 0.668 45.690 45.100 -0.130 0.000 0.655 79 G HN 0.792 nan 8.290 nan 0.000 0.533 80 Q N 0.579 120.348 119.800 -0.052 0.000 2.323 80 Q HA 0.591 4.932 4.340 0.001 0.000 0.271 80 Q C 0.463 176.496 176.000 0.054 0.000 1.048 80 Q CA -0.057 55.712 55.803 -0.057 0.000 0.792 80 Q CB 1.560 30.192 28.738 -0.177 0.000 1.280 80 Q HN 0.723 nan 8.270 nan 0.000 0.441 81 S N 2.919 118.591 115.700 -0.048 0.000 2.568 81 S HA 0.476 4.947 4.470 0.001 0.000 0.282 81 S C -0.279 174.362 174.600 0.069 0.000 1.338 81 S CA -0.328 57.821 58.200 -0.084 0.000 1.045 81 S CB 0.068 63.143 63.200 -0.209 0.000 0.873 81 S HN 0.469 nan 8.310 nan 0.000 0.516 82 F N -1.139 118.730 119.950 -0.136 0.000 2.626 82 F HA 0.763 5.290 4.527 0.001 0.000 0.311 82 F C -1.753 173.941 175.800 -0.177 0.000 1.088 82 F CA -1.854 56.053 58.000 -0.156 0.000 0.949 82 F CB 0.689 39.603 39.000 -0.144 0.000 1.322 82 F HN 0.443 nan 8.300 nan 0.000 0.461 83 Y N 1.818 122.273 120.300 0.258 0.000 2.342 83 Y HA 0.655 5.205 4.550 0.001 0.000 0.334 83 Y C 0.068 176.215 175.900 0.411 0.000 1.067 83 Y CA -1.296 56.953 58.100 0.248 0.000 1.128 83 Y CB 1.789 40.404 38.460 0.259 0.000 1.200 83 Y HN 0.718 nan 8.280 nan 0.000 0.464 84 V N 0.959 121.145 119.914 0.455 0.000 3.007 84 V HA 0.687 4.807 4.120 0.001 0.000 0.311 84 V C -1.262 174.953 176.094 0.200 0.000 1.120 84 V CA -1.003 61.438 62.300 0.235 0.000 0.980 84 V CB 2.059 33.969 31.823 0.146 0.000 1.033 84 V HN 0.789 nan 8.190 nan 0.000 0.429 85 Q N 2.575 122.367 119.800 -0.013 0.000 2.310 85 Q HA 0.697 5.037 4.340 0.001 0.000 0.270 85 Q C -1.697 174.243 176.000 -0.100 0.000 1.025 85 Q CA -0.737 55.093 55.803 0.046 0.000 0.772 85 Q CB 2.078 30.917 28.738 0.168 0.000 1.253 85 Q HN 0.897 nan 8.270 nan 0.000 0.450 86 I N 3.671 124.137 120.570 -0.173 0.000 2.328 86 I HA 0.253 4.423 4.170 0.001 0.000 0.287 86 I C -0.833 174.930 176.117 -0.591 0.000 1.012 86 I CA -0.852 60.176 61.300 -0.452 0.000 1.195 86 I CB 1.394 39.017 38.000 -0.628 0.000 1.350 86 I HN 0.523 nan 8.210 nan 0.000 0.464 87 D N 7.095 127.238 120.400 -0.428 0.000 2.339 87 D HA 0.286 4.926 4.640 0.001 0.000 0.241 87 D C -0.089 175.980 176.300 -0.385 0.000 1.183 87 D CA 0.170 54.009 54.000 -0.269 0.000 0.859 87 D CB 0.602 41.358 40.800 -0.074 0.000 1.067 87 D HN 0.082 nan 8.370 nan 0.000 0.484 88 F N 0.409 120.333 119.950 -0.044 0.000 2.284 88 F HA 0.097 4.624 4.527 0.000 0.000 0.297 88 F C 2.238 178.030 175.800 -0.014 0.000 1.215 88 F CA -0.651 57.317 58.000 -0.053 0.000 1.120 88 F CB 0.334 39.298 39.000 -0.059 0.000 1.426 88 F HN 0.210 nan 8.300 nan 0.000 0.514 89 S N -0.375 115.472 115.700 0.244 0.000 2.461 89 S HA 0.109 4.579 4.470 0.001 0.000 0.228 89 S C 0.086 174.751 174.600 0.107 0.000 1.005 89 S CA 0.235 58.512 58.200 0.128 0.000 0.942 89 S CB -0.349 62.914 63.200 0.106 0.000 0.776 89 S HN 0.665 nan 8.310 nan 0.000 0.514 90 R N -0.351 120.228 120.500 0.132 0.000 2.664 90 R HA 0.483 4.823 4.340 0.001 0.000 0.260 90 R C -3.567 172.802 176.300 0.115 0.000 1.062 90 R CA -1.799 54.356 56.100 0.091 0.000 0.902 90 R CB -0.688 29.638 30.300 0.044 0.000 1.258 90 R HN -0.161 nan 8.270 nan 0.000 0.465 91 P HA -0.208 nan 4.420 nan 0.000 0.260 91 P C -0.816 176.536 177.300 0.087 0.000 1.147 91 P CA 0.372 63.547 63.100 0.125 0.000 0.758 91 P CB 0.178 31.924 31.700 0.077 0.000 0.744 92 Y N 3.502 123.810 120.300 0.012 0.000 2.702 92 Y HA 0.066 4.617 4.550 0.001 0.000 0.336 92 Y C 0.357 176.248 175.900 -0.015 0.000 1.235 92 Y CA 0.271 58.314 58.100 -0.095 0.000 1.492 92 Y CB 0.205 38.677 38.460 0.020 0.000 1.308 92 Y HN 0.316 nan 8.280 nan 0.000 0.589 93 D N 8.002 128.015 120.400 -0.644 0.000 2.346 93 D HA 0.281 4.922 4.640 0.001 0.000 0.255 93 D C -2.256 173.662 176.300 -0.636 0.000 1.276 93 D CA -2.172 51.542 54.000 -0.476 0.000 0.941 93 D CB 1.481 42.142 40.800 -0.232 0.000 1.199 93 D HN 0.300 nan 8.370 nan 0.000 0.537 94 P HA -0.170 nan 4.420 nan 0.000 0.220 94 P C 0.963 178.145 177.300 -0.196 0.000 1.142 94 P CA 1.114 63.956 63.100 -0.428 0.000 0.801 94 P CB 0.258 31.855 31.700 -0.172 0.000 0.764 95 R N -0.700 119.689 120.500 -0.185 0.000 2.153 95 R HA 0.051 4.391 4.340 0.001 0.000 0.218 95 R C 2.238 178.492 176.300 -0.076 0.000 1.072 95 R CA 1.015 57.053 56.100 -0.103 0.000 0.990 95 R CB -0.197 30.049 30.300 -0.090 0.000 0.889 95 R HN 0.351 nan 8.270 nan 0.000 0.452 96 R N -0.939 119.506 120.500 -0.092 0.000 2.573 96 R HA 0.181 4.521 4.340 0.001 0.000 0.224 96 R C -0.617 175.696 176.300 0.022 0.000 0.904 96 R CA -0.235 55.844 56.100 -0.034 0.000 0.995 96 R CB 0.144 30.416 30.300 -0.048 0.000 1.430 96 R HN -0.059 nan 8.270 nan 0.000 0.631 97 D N 2.717 123.112 120.400 -0.009 0.000 2.317 97 D HA 0.209 4.849 4.640 0.001 0.000 0.252 97 D C -0.695 175.767 176.300 0.269 0.000 1.174 97 D CA 0.082 54.157 54.000 0.124 0.000 0.866 97 D CB 1.834 42.681 40.800 0.078 0.000 1.127 97 D HN 0.112 nan 8.370 nan 0.000 0.467 98 L N 4.326 125.719 121.223 0.284 0.000 2.313 98 L HA 0.597 4.938 4.340 0.001 0.000 0.283 98 L C -1.140 175.988 176.870 0.431 0.000 1.013 98 L CA -0.773 54.226 54.840 0.264 0.000 0.816 98 L CB 0.593 42.745 42.059 0.154 0.000 1.236 98 L HN 0.364 nan 8.230 nan 0.000 0.419 99 F N 4.272 124.347 119.950 0.208 0.000 2.713 99 F HA 0.802 5.329 4.527 0.001 0.000 0.311 99 F C -1.456 174.463 175.800 0.199 0.000 1.141 99 F CA -0.972 57.177 58.000 0.249 0.000 0.939 99 F CB 1.312 40.421 39.000 0.182 0.000 1.325 99 F HN 0.569 nan 8.300 nan 0.000 0.453 100 R N 1.356 122.067 120.500 0.350 0.000 2.739 100 R HA 0.647 4.987 4.340 0.001 0.000 0.266 100 R C -2.412 174.040 176.300 0.252 0.000 1.044 100 R CA -1.101 55.052 56.100 0.087 0.000 0.885 100 R CB 1.201 31.486 30.300 -0.024 0.000 1.260 100 R HN 0.639 nan 8.270 nan 0.000 0.477 101 V N 1.386 121.377 119.914 0.128 0.000 2.881 101 V HA 0.279 4.399 4.120 0.001 0.000 0.303 101 V C 0.144 176.199 176.094 -0.066 0.000 1.070 101 V CA 0.005 62.329 62.300 0.039 0.000 1.074 101 V CB 1.245 33.075 31.823 0.010 0.000 1.012 101 V HN 0.729 nan 8.190 nan 0.000 0.482 102 E N 1.831 121.932 120.200 -0.166 0.000 2.293 102 E HA 0.541 4.892 4.350 0.001 0.000 0.270 102 E C -1.955 174.436 176.600 -0.348 0.000 0.879 102 E CA -0.623 55.668 56.400 -0.181 0.000 0.756 102 E CB 2.438 32.189 29.700 0.085 0.000 1.208 102 E HN 0.606 nan 8.360 nan 0.000 0.428 103 Y N 0.723 120.929 120.300 -0.156 0.000 2.338 103 Y HA 0.420 4.970 4.550 0.000 0.000 0.333 103 Y C -0.371 175.618 175.900 0.148 0.000 0.968 103 Y CA -0.934 57.143 58.100 -0.038 0.000 1.123 103 Y CB 1.817 40.069 38.460 -0.348 0.000 1.165 103 Y HN 0.289 nan 8.280 nan 0.000 0.452 104 V N 2.690 122.884 119.914 0.468 0.000 2.735 104 V HA 0.762 4.882 4.120 0.001 0.000 0.310 104 V C -1.132 175.116 176.094 0.256 0.000 1.061 104 V CA -0.972 61.559 62.300 0.385 0.000 0.913 104 V CB 2.243 34.268 31.823 0.336 0.000 1.005 104 V HN 0.761 nan 8.190 nan 0.000 0.428 105 I N 3.137 123.755 120.570 0.079 0.000 2.656 105 I HA 0.814 4.984 4.170 0.001 0.000 0.292 105 I C 0.288 176.354 176.117 -0.084 0.000 1.144 105 I CA 0.687 61.888 61.300 -0.165 0.000 1.038 105 I CB 1.613 39.242 38.000 -0.618 0.000 1.244 105 I HN 1.597 nan 8.210 nan 0.000 0.420 106 G N 5.711 114.453 108.800 -0.096 0.000 2.795 106 G HA2 -0.234 3.727 3.960 0.001 0.000 0.664 106 G HA3 -0.234 3.727 3.960 0.001 0.000 0.664 106 G C 0.064 174.889 174.900 -0.125 0.000 1.381 106 G CA 0.123 45.180 45.100 -0.072 0.000 0.853 106 G HN 0.876 nan 8.290 nan 0.000 0.545 107 R N -0.827 119.530 120.500 -0.239 0.000 2.200 107 R HA 0.132 4.472 4.340 0.001 0.000 0.208 107 R C 0.202 176.046 176.300 -0.760 0.000 1.033 107 R CA 1.069 56.837 56.100 -0.553 0.000 1.000 107 R CB -0.035 29.784 30.300 -0.802 0.000 0.906 107 R HN 0.554 nan 8.270 nan 0.000 0.462 108 Y N 0.383 120.678 120.300 -0.008 0.000 2.562 108 Y HA 0.406 4.957 4.550 0.001 0.000 0.363 108 Y C -2.377 173.528 175.900 0.008 0.000 0.991 108 Y CA -3.183 54.911 58.100 -0.008 0.000 1.121 108 Y CB 0.731 39.185 38.460 -0.010 0.000 1.159 108 Y HN -0.003 nan 8.280 nan 0.000 0.651 109 P HA 0.190 nan 4.420 nan 0.000 0.271 109 P C -0.549 176.824 177.300 0.121 0.000 1.218 109 P CA -0.043 63.129 63.100 0.120 0.000 0.780 109 P CB 0.888 32.664 31.700 0.126 0.000 0.901 110 Q N 0.387 120.282 119.800 0.157 0.000 2.353 110 Q HA 0.121 4.462 4.340 0.001 0.000 0.275 110 Q C 0.453 176.570 176.000 0.194 0.000 1.029 110 Q CA -0.549 55.339 55.803 0.142 0.000 0.848 110 Q CB 2.188 30.986 28.738 0.100 0.000 1.390 110 Q HN 0.431 nan 8.270 nan 0.000 0.401 111 E N 1.813 122.151 120.200 0.230 0.000 2.077 111 E HA -0.245 4.105 4.350 0.001 0.000 0.193 111 E C 1.016 177.692 176.600 0.128 0.000 0.989 111 E CA 1.550 58.075 56.400 0.208 0.000 0.800 111 E CB 0.173 30.014 29.700 0.235 0.000 0.746 111 E HN 0.620 nan 8.360 nan 0.000 0.452 112 N N -0.395 118.371 118.700 0.110 0.000 2.069 112 N HA -0.192 4.549 4.740 0.001 0.000 0.196 112 N C 1.017 176.578 175.510 0.085 0.000 1.024 112 N CA 1.356 54.457 53.050 0.084 0.000 0.869 112 N CB 0.110 38.640 38.487 0.071 0.000 1.035 112 N HN 0.012 nan 8.380 nan 0.000 0.434 113 K N -0.518 119.940 120.400 0.097 0.000 2.374 113 K HA 0.170 4.490 4.320 0.001 0.000 0.196 113 K C 0.918 177.589 176.600 0.117 0.000 1.023 113 K CA 0.462 56.808 56.287 0.097 0.000 1.103 113 K CB 0.669 33.225 32.500 0.093 0.000 0.848 113 K HN 0.300 nan 8.250 nan 0.000 0.528 114 G N 2.082 110.958 108.800 0.127 0.000 2.143 114 G HA2 -0.309 3.651 3.960 0.001 0.000 0.248 114 G HA3 -0.309 3.651 3.960 0.001 0.000 0.248 114 G C 0.794 175.808 174.900 0.190 0.000 0.991 114 G CA 1.098 46.288 45.100 0.149 0.000 0.689 114 G HN 0.386 nan 8.290 nan 0.000 0.522 115 T N -3.659 111.004 114.554 0.182 0.000 3.022 115 T HA 0.425 4.776 4.350 0.001 0.000 0.250 115 T C 0.489 175.342 174.700 0.255 0.000 1.060 115 T CA 0.812 63.035 62.100 0.206 0.000 1.013 115 T CB 0.494 69.447 68.868 0.142 0.000 0.982 115 T HN 1.010 nan 8.240 nan 0.000 0.508 116 Y N 1.535 121.895 120.300 0.099 0.000 2.331 116 Y HA 0.670 5.221 4.550 0.001 0.000 0.334 116 Y C -1.561 174.348 175.900 0.015 0.000 0.960 116 Y CA -2.654 55.485 58.100 0.064 0.000 1.130 116 Y CB 1.057 39.535 38.460 0.031 0.000 1.164 116 Y HN 0.095 nan 8.280 nan 0.000 0.458 117 I N 9.755 129.946 120.570 -0.631 0.000 2.466 117 I HA 0.331 4.501 4.170 0.001 0.000 0.279 117 I C -2.644 172.969 176.117 -0.840 0.000 1.033 117 I CA -2.015 58.847 61.300 -0.729 0.000 1.123 117 I CB 2.016 39.524 38.000 -0.820 0.000 1.237 117 I HN 0.455 nan 8.210 nan 0.000 0.460 118 P HA 0.171 nan 4.420 nan 0.000 0.291 118 P C -0.415 176.721 177.300 -0.273 0.000 1.340 118 P CA -0.267 62.579 63.100 -0.423 0.000 0.799 118 P CB 1.435 33.010 31.700 -0.208 0.000 0.917 119 V N 7.079 126.874 119.914 -0.197 0.000 2.353 119 V HA 0.190 4.311 4.120 0.001 0.000 0.264 119 V C -1.621 174.437 176.094 -0.060 0.000 1.049 119 V CA -1.815 60.441 62.300 -0.074 0.000 0.896 119 V CB 0.696 32.547 31.823 0.047 0.000 1.025 119 V HN 0.511 nan 8.190 nan 0.000 0.475 120 P HA 0.196 nan 4.420 nan 0.000 0.276 120 P C -0.268 176.957 177.300 -0.126 0.000 1.235 120 P CA -0.333 62.696 63.100 -0.119 0.000 0.772 120 P CB 1.026 32.664 31.700 -0.103 0.000 0.871 121 I N 3.961 124.403 120.570 -0.214 0.000 2.683 121 I HA 0.067 4.237 4.170 0.001 0.000 0.286 121 I C 0.943 176.988 176.117 -0.121 0.000 1.175 121 I CA 0.135 61.302 61.300 -0.222 0.000 1.429 121 I CB 0.402 38.184 38.000 -0.363 0.000 1.371 121 I HN 0.171 nan 8.210 nan 0.000 0.569 122 V N 6.273 126.143 119.914 -0.073 0.000 2.962 122 V HA 0.321 4.441 4.120 0.001 0.000 0.313 122 V C 1.031 177.114 176.094 -0.018 0.000 1.099 122 V CA 0.046 62.321 62.300 -0.041 0.000 0.971 122 V CB 2.477 34.282 31.823 -0.031 0.000 1.028 122 V HN 0.936 nan 8.190 nan 0.000 0.430 123 S N 3.247 118.942 115.700 -0.009 0.000 2.368 123 S HA 0.071 4.542 4.470 0.001 0.000 0.224 123 S C 0.482 175.085 174.600 0.005 0.000 1.029 123 S CA 0.984 59.187 58.200 0.004 0.000 0.988 123 S CB -0.037 63.166 63.200 0.005 0.000 0.838 123 S HN 0.737 nan 8.310 nan 0.000 0.462 124 E N -0.234 119.965 120.200 -0.002 0.000 2.290 124 E HA 0.553 4.903 4.350 0.001 0.000 0.274 124 E C -1.137 175.456 176.600 -0.011 0.000 0.889 124 E CA -0.433 55.965 56.400 -0.003 0.000 0.760 124 E CB 1.544 31.243 29.700 -0.002 0.000 1.206 124 E HN 0.333 nan 8.360 nan 0.000 0.419 125 L N 2.777 123.991 121.223 -0.015 0.000 2.543 125 L HA 0.004 4.344 4.340 0.001 0.000 0.285 125 L C 0.655 177.509 176.870 -0.028 0.000 1.236 125 L CA 0.538 55.361 54.840 -0.028 0.000 0.871 125 L CB 0.264 42.297 42.059 -0.044 0.000 1.121 125 L HN 0.415 nan 8.230 nan 0.000 0.501 126 Q N 1.174 120.955 119.800 -0.031 0.000 2.257 126 Q HA 0.267 4.608 4.340 0.001 0.000 0.262 126 Q C -0.524 175.450 176.000 -0.043 0.000 0.997 126 Q CA -0.542 55.243 55.803 -0.029 0.000 0.873 126 Q CB 2.175 30.902 28.738 -0.017 0.000 1.312 126 Q HN 0.696 nan 8.270 nan 0.000 0.450 127 S N -0.351 115.326 115.700 -0.040 0.000 2.443 127 S HA 0.399 4.869 4.470 0.001 0.000 0.284 127 S C 0.917 175.485 174.600 -0.053 0.000 1.206 127 S CA 0.188 58.358 58.200 -0.050 0.000 1.074 127 S CB 0.242 63.417 63.200 -0.042 0.000 0.963 127 S HN 0.906 nan 8.310 nan 0.000 0.501 128 G N 2.536 111.291 108.800 -0.075 0.000 2.179 128 G HA2 -0.253 3.707 3.960 0.001 0.000 0.257 128 G HA3 -0.253 3.707 3.960 0.001 0.000 0.257 128 G C -0.200 174.656 174.900 -0.072 0.000 1.010 128 G CA 0.431 45.483 45.100 -0.080 0.000 0.736 128 G HN 0.789 nan 8.290 nan 0.000 0.513 129 K N -1.622 118.736 120.400 -0.071 0.000 2.435 129 K HA 0.470 4.790 4.320 0.001 0.000 0.251 129 K C -0.693 175.901 176.600 -0.011 0.000 0.954 129 K CA -1.084 55.197 56.287 -0.009 0.000 0.820 129 K CB 1.593 34.109 32.500 0.027 0.000 1.292 129 K HN 0.103 nan 8.250 nan 0.000 0.436 130 W N 0.861 122.134 121.300 -0.044 0.000 2.266 130 W HA 0.397 5.057 4.660 0.000 0.000 0.317 130 W C 0.680 177.164 176.519 -0.058 0.000 1.310 130 W CA 0.753 58.065 57.345 -0.055 0.000 1.207 130 W CB 1.322 30.750 29.460 -0.054 0.000 1.199 130 W HN 0.706 nan 8.180 nan 0.000 0.544 131 G N 0.826 109.771 108.800 0.242 0.000 2.547 131 G HA2 0.671 4.631 3.960 0.001 0.000 0.291 131 G HA3 0.671 4.631 3.960 0.001 0.000 0.291 131 G C -2.204 172.733 174.900 0.062 0.000 1.471 131 G CA -0.674 44.492 45.100 0.109 0.000 0.798 131 G HN 0.681 nan 8.290 nan 0.000 0.504 132 A N 0.663 123.489 122.820 0.009 0.000 2.359 132 A HA 0.803 5.123 4.320 0.001 0.000 0.303 132 A C -0.458 177.106 177.584 -0.033 0.000 1.066 132 A CA -0.679 51.344 52.037 -0.022 0.000 0.730 132 A CB 1.765 20.757 19.000 -0.012 0.000 1.211 132 A HN 0.720 nan 8.150 nan 0.000 0.439 133 K N 4.083 124.474 120.400 -0.014 0.000 2.265 133 K HA 0.475 4.795 4.320 0.001 0.000 0.267 133 K C -0.852 175.772 176.600 0.039 0.000 0.994 133 K CA -0.549 55.742 56.287 0.006 0.000 0.860 133 K CB 0.645 33.154 32.500 0.016 0.000 1.099 133 K HN 0.725 nan 8.250 nan 0.000 0.448 134 I N 5.626 126.219 120.570 0.038 0.000 2.574 134 I HA -0.088 4.082 4.170 0.001 0.000 0.291 134 I C 1.094 177.265 176.117 0.089 0.000 1.131 134 I CA 0.114 61.459 61.300 0.074 0.000 1.352 134 I CB 0.873 38.922 38.000 0.082 0.000 1.431 134 I HN 0.503 nan 8.210 nan 0.000 0.543 135 V N 8.066 128.040 119.914 0.100 0.000 3.647 135 V HA 0.238 4.358 4.120 0.001 0.000 0.279 135 V C 0.400 176.532 176.094 0.065 0.000 1.314 135 V CA 0.636 62.987 62.300 0.086 0.000 1.125 135 V CB 0.039 31.930 31.823 0.114 0.000 0.907 135 V HN 0.758 nan 8.190 nan 0.000 0.434 136 M N 0.079 119.729 119.600 0.084 0.000 2.643 136 M HA 0.493 4.974 4.480 0.001 0.000 0.276 136 M C -1.679 174.692 176.300 0.119 0.000 1.200 136 M CA -0.624 54.723 55.300 0.079 0.000 0.863 136 M CB 2.197 34.825 32.600 0.046 0.000 1.711 136 M HN -0.111 nan 8.290 nan 0.000 0.492 137 R N 2.557 123.128 120.500 0.118 0.000 2.512 137 R HA 0.397 4.737 4.340 0.001 0.000 0.291 137 R C -1.903 174.464 176.300 0.112 0.000 1.097 137 R CA -0.420 55.770 56.100 0.151 0.000 0.940 137 R CB 2.135 32.549 30.300 0.190 0.000 1.198 137 R HN 0.780 nan 8.270 nan 0.000 0.429 138 E N 3.164 123.430 120.200 0.111 0.000 2.448 138 E HA 0.139 4.489 4.350 0.001 0.000 0.288 138 E C -1.497 175.154 176.600 0.084 0.000 0.936 138 E CA -0.488 55.961 56.400 0.083 0.000 0.809 138 E CB 0.572 30.309 29.700 0.063 0.000 1.408 138 E HN 0.492 nan 8.360 nan 0.000 0.393 139 D N 4.362 124.810 120.400 0.081 0.000 3.508 139 D HA -0.216 4.424 4.640 0.001 0.000 0.232 139 D C 0.375 176.731 176.300 0.094 0.000 1.131 139 D CA 1.393 55.438 54.000 0.075 0.000 1.040 139 D CB -0.521 40.312 40.800 0.055 0.000 0.879 139 D HN 0.832 nan 8.370 nan 0.000 0.407 140 R N -1.775 118.801 120.500 0.127 0.000 2.248 140 R HA -0.240 4.101 4.340 0.001 0.000 0.154 140 R C 0.442 176.861 176.300 0.199 0.000 0.881 140 R CA 2.112 58.313 56.100 0.168 0.000 1.877 140 R CB -1.674 28.697 30.300 0.118 0.000 0.832 140 R HN 0.438 nan 8.270 nan 0.000 0.665 141 S N 0.935 116.705 115.700 0.117 0.000 2.576 141 S HA 0.475 4.945 4.470 0.001 0.000 0.276 141 S C 0.301 174.977 174.600 0.128 0.000 1.339 141 S CA -0.124 58.118 58.200 0.070 0.000 1.039 141 S CB 1.481 64.722 63.200 0.069 0.000 0.902 141 S HN 0.381 nan 8.310 nan 0.000 0.516 142 V N 0.756 120.724 119.914 0.089 0.000 2.876 142 V HA 0.734 4.854 4.120 0.001 0.000 0.312 142 V C -0.515 175.647 176.094 0.113 0.000 1.085 142 V CA -1.234 61.153 62.300 0.144 0.000 0.945 142 V CB 1.805 33.751 31.823 0.205 0.000 1.017 142 V HN 0.861 nan 8.190 nan 0.000 0.428 143 R N 2.314 122.895 120.500 0.135 0.000 2.562 143 R HA 0.852 5.193 4.340 0.001 0.000 0.298 143 R C -1.735 174.662 176.300 0.162 0.000 0.961 143 R CA -0.742 55.453 56.100 0.158 0.000 0.881 143 R CB 1.793 32.168 30.300 0.124 0.000 1.159 143 R HN 0.893 nan 8.270 nan 0.000 0.450 144 L N 1.677 123.018 121.223 0.198 0.000 2.362 144 L HA 0.439 4.780 4.340 0.001 0.000 0.271 144 L C -0.353 176.648 176.870 0.217 0.000 1.002 144 L CA -0.771 54.168 54.840 0.165 0.000 0.818 144 L CB 2.248 44.378 42.059 0.119 0.000 1.298 144 L HN 0.538 nan 8.230 nan 0.000 0.420 145 S N 3.309 119.091 115.700 0.137 0.000 2.532 145 S HA 0.599 5.069 4.470 0.001 0.000 0.318 145 S C -0.523 173.979 174.600 -0.163 0.000 1.083 145 S CA -0.520 57.699 58.200 0.031 0.000 1.131 145 S CB -0.010 63.255 63.200 0.108 0.000 0.973 145 S HN 0.411 nan 8.310 nan 0.000 0.468 146 I N 4.283 124.603 120.570 -0.417 0.000 2.353 146 I HA 0.398 4.568 4.170 0.001 0.000 0.293 146 I C 0.276 176.087 176.117 -0.509 0.000 0.992 146 I CA -0.518 60.489 61.300 -0.488 0.000 1.268 146 I CB 1.546 39.103 38.000 -0.739 0.000 1.387 146 I HN 0.509 nan 8.210 nan 0.000 0.478 147 Q N 5.011 124.657 119.800 -0.257 0.000 2.330 147 Q HA 0.391 4.731 4.340 0.001 0.000 0.269 147 Q C -0.902 174.802 176.000 -0.494 0.000 1.022 147 Q CA -0.631 55.014 55.803 -0.264 0.000 0.796 147 Q CB 2.197 30.823 28.738 -0.187 0.000 1.271 147 Q HN 0.832 nan 8.270 nan 0.000 0.450 148 S N 1.846 117.070 115.700 -0.794 0.000 2.616 148 S HA 0.364 4.834 4.470 0.001 0.000 0.277 148 S C 0.091 174.052 174.600 -1.066 0.000 1.234 148 S CA -0.722 56.419 58.200 -1.765 0.000 1.028 148 S CB 1.736 64.069 63.200 -1.445 0.000 0.988 148 S HN 0.559 nan 8.310 nan 0.000 0.522 149 S N 2.268 117.267 115.700 -1.168 0.000 2.562 149 S HA 0.223 4.694 4.470 0.001 0.000 0.281 149 S C -1.433 172.997 174.600 -0.283 0.000 1.333 149 S CA -1.294 56.638 58.200 -0.447 0.000 1.052 149 S CB 0.234 63.326 63.200 -0.181 0.000 0.884 149 S HN 0.694 nan 8.310 nan 0.000 0.506 150 P HA 0.076 nan 4.420 nan 0.000 0.247 150 P C -0.080 177.225 177.300 0.008 0.000 1.225 150 P CA 0.511 63.573 63.100 -0.063 0.000 0.768 150 P CB -0.001 31.675 31.700 -0.040 0.000 1.020 151 K N -1.167 119.238 120.400 0.009 0.000 2.438 151 K HA 0.127 4.448 4.320 0.001 0.000 0.205 151 K C 0.575 177.227 176.600 0.086 0.000 1.033 151 K CA -0.352 55.977 56.287 0.070 0.000 1.089 151 K CB -0.294 32.249 32.500 0.072 0.000 0.857 151 K HN 0.081 nan 8.250 nan 0.000 0.522 152 C N 1.901 121.229 119.300 0.046 0.000 2.665 152 C HA 0.133 4.593 4.460 0.001 0.000 0.416 152 C C 1.069 176.126 174.990 0.113 0.000 1.305 152 C CA -0.549 58.534 59.018 0.109 0.000 1.903 152 C CB -0.630 27.127 27.740 0.027 0.000 2.704 152 C HN 0.391 nan 8.230 nan 0.000 0.629 153 I N 4.916 125.624 120.570 0.231 0.000 2.710 153 I HA 0.091 4.261 4.170 0.001 0.000 0.286 153 I C 0.292 176.516 176.117 0.178 0.000 1.181 153 I CA 0.359 61.782 61.300 0.206 0.000 1.430 153 I CB 0.679 38.839 38.000 0.268 0.000 1.367 153 I HN 0.383 nan 8.210 nan 0.000 0.577 154 V N 6.235 126.128 119.914 -0.034 0.000 2.465 154 V HA 0.813 4.933 4.120 0.001 0.000 0.279 154 V C 0.558 176.643 176.094 -0.015 0.000 1.045 154 V CA 0.320 62.541 62.300 -0.131 0.000 0.938 154 V CB 0.777 32.242 31.823 -0.596 0.000 0.986 154 V HN 1.062 nan 8.190 nan 0.000 0.467 155 G N 4.409 113.245 108.800 0.060 0.000 2.333 155 G HA2 0.272 4.233 3.960 0.001 0.000 0.288 155 G HA3 0.272 4.233 3.960 0.001 0.000 0.288 155 G C -1.466 173.443 174.900 0.014 0.000 1.286 155 G CA -0.794 44.291 45.100 -0.024 0.000 0.865 155 G HN 0.639 nan 8.290 nan 0.000 0.506 156 K N 0.205 120.494 120.400 -0.185 0.000 2.293 156 K HA 0.668 4.988 4.320 0.001 0.000 0.267 156 K C -1.142 175.312 176.600 -0.244 0.000 1.010 156 K CA -0.560 55.518 56.287 -0.349 0.000 0.875 156 K CB 0.517 32.596 32.500 -0.703 0.000 1.106 156 K HN 0.220 nan 8.250 nan 0.000 0.450 157 F N 2.166 122.034 119.950 -0.136 0.000 2.440 157 F HA 0.478 5.006 4.527 0.001 0.000 0.328 157 F C 0.606 176.405 175.800 -0.002 0.000 1.070 157 F CA -0.754 57.249 58.000 0.005 0.000 1.011 157 F CB 1.307 40.397 39.000 0.151 0.000 1.226 157 F HN 0.341 nan 8.300 nan 0.000 0.491 158 R N 1.491 122.123 120.500 0.221 0.000 2.368 158 R HA 0.513 4.853 4.340 0.001 0.000 0.302 158 R C -0.627 175.637 176.300 -0.060 0.000 1.002 158 R CA -0.518 55.592 56.100 0.018 0.000 0.929 158 R CB 1.404 31.733 30.300 0.049 0.000 1.073 158 R HN 0.631 nan 8.270 nan 0.000 0.464 159 M N 3.240 122.623 119.600 -0.362 0.000 2.336 159 M HA 0.417 4.897 4.480 0.001 0.000 0.342 159 M C -1.556 174.284 176.300 -0.767 0.000 1.128 159 M CA -0.463 54.527 55.300 -0.517 0.000 1.016 159 M CB 1.010 33.376 32.600 -0.389 0.000 1.665 159 M HN 0.559 nan 8.290 nan 0.000 0.445 160 Y N 1.877 122.049 120.300 -0.213 0.000 2.638 160 Y HA 0.711 5.261 4.550 0.001 0.000 0.339 160 Y C -0.812 175.033 175.900 -0.092 0.000 1.084 160 Y CA -0.868 57.164 58.100 -0.113 0.000 1.068 160 Y CB 2.082 40.507 38.460 -0.058 0.000 1.294 160 Y HN 0.347 nan 8.280 nan 0.000 0.480 161 V N 1.294 121.296 119.914 0.148 0.000 2.623 161 V HA 0.857 4.978 4.120 0.001 0.000 0.304 161 V C -0.822 175.377 176.094 0.176 0.000 1.054 161 V CA -0.837 61.558 62.300 0.159 0.000 0.882 161 V CB 1.391 33.280 31.823 0.110 0.000 1.002 161 V HN 0.855 nan 8.190 nan 0.000 0.424 162 A N 4.067 127.018 122.820 0.218 0.000 2.365 162 A HA 0.934 5.254 4.320 0.001 0.000 0.318 162 A C -1.037 176.681 177.584 0.224 0.000 1.091 162 A CA -0.650 51.451 52.037 0.107 0.000 0.763 162 A CB 1.998 20.953 19.000 -0.075 0.000 1.248 162 A HN 0.706 nan 8.150 nan 0.000 0.442 163 V N 2.449 122.421 119.914 0.098 0.000 2.384 163 V HA 0.262 4.382 4.120 0.001 0.000 0.287 163 V C -0.569 175.548 176.094 0.038 0.000 1.020 163 V CA -0.603 61.803 62.300 0.178 0.000 0.850 163 V CB 1.178 33.074 31.823 0.121 0.000 0.987 163 V HN 0.864 nan 8.190 nan 0.000 0.436 164 W N 4.007 125.316 121.300 0.015 0.000 2.311 164 W HA 0.420 5.080 4.660 0.000 0.000 0.310 164 W C 0.558 176.975 176.519 -0.170 0.000 1.274 164 W CA -0.097 57.211 57.345 -0.061 0.000 1.215 164 W CB 1.877 31.326 29.460 -0.020 0.000 1.227 164 W HN 0.658 nan 8.180 nan 0.000 0.523 165 T N 0.954 115.383 114.554 -0.208 0.000 2.932 165 T HA 0.367 4.718 4.350 0.001 0.000 0.289 165 T C -1.423 173.087 174.700 -0.317 0.000 1.039 165 T CA -1.880 59.906 62.100 -0.523 0.000 1.024 165 T CB 2.405 70.717 68.868 -0.928 0.000 1.090 165 T HN 0.205 nan 8.240 nan 0.000 0.496 166 P HA -0.016 nan 4.420 nan 0.000 0.228 166 P C -0.431 176.662 177.300 -0.346 0.000 1.151 166 P CA 0.846 63.706 63.100 -0.400 0.000 0.770 166 P CB -0.358 31.061 31.700 -0.468 0.000 0.786 167 Y N -0.204 120.068 120.300 -0.046 0.000 2.863 167 Y HA 0.640 5.190 4.550 0.000 0.000 0.348 167 Y C 1.258 177.092 175.900 -0.110 0.000 1.028 167 Y CA -0.835 57.234 58.100 -0.053 0.000 1.213 167 Y CB 0.379 38.813 38.460 -0.042 0.000 1.120 167 Y HN 0.059 nan 8.280 nan 0.000 0.598 168 G N 0.420 109.219 108.800 -0.003 0.000 2.741 168 G HA2 -0.000 3.960 3.960 0.001 0.000 0.222 168 G HA3 -0.000 3.960 3.960 0.001 0.000 0.222 168 G C -0.876 173.854 174.900 -0.284 0.000 1.364 168 G CA -0.485 44.542 45.100 -0.123 0.000 0.866 168 G HN 1.314 nan 8.290 nan 0.000 0.555 169 V N -1.590 118.095 119.914 -0.382 0.000 3.074 169 V HA 0.921 5.042 4.120 0.001 0.000 0.314 169 V C 0.014 175.918 176.094 -0.318 0.000 1.117 169 V CA -1.016 60.985 62.300 -0.499 0.000 1.014 169 V CB 1.841 33.134 31.823 -0.883 0.000 1.057 169 V HN 1.195 nan 8.190 nan 0.000 0.438 170 L N 3.562 124.628 121.223 -0.262 0.000 2.346 170 L HA 0.877 5.217 4.340 0.001 0.000 0.274 170 L C -0.167 176.635 176.870 -0.112 0.000 1.007 170 L CA -0.773 53.978 54.840 -0.149 0.000 0.818 170 L CB 1.955 43.958 42.059 -0.093 0.000 1.284 170 L HN 1.023 nan 8.230 nan 0.000 0.424 171 R N -0.409 120.050 120.500 -0.069 0.000 2.692 171 R HA 0.576 4.916 4.340 0.001 0.000 0.269 171 R C -1.046 175.275 176.300 0.035 0.000 1.030 171 R CA -0.793 55.298 56.100 -0.016 0.000 0.882 171 R CB 1.222 31.488 30.300 -0.056 0.000 1.250 171 R HN 0.565 nan 8.270 nan 0.000 0.465 172 T N 0.484 115.095 114.554 0.094 0.000 2.855 172 T HA 0.186 4.536 4.350 0.001 0.000 0.314 172 T C 0.624 175.415 174.700 0.152 0.000 1.077 172 T CA -0.202 61.954 62.100 0.094 0.000 1.095 172 T CB 0.586 69.490 68.868 0.059 0.000 0.987 172 T HN 0.694 nan 8.240 nan 0.000 0.546 173 S N 0.375 116.124 115.700 0.081 0.000 2.693 173 S HA 0.510 4.981 4.470 0.001 0.000 0.276 173 S C 0.081 174.732 174.600 0.085 0.000 1.192 173 S CA -1.266 56.992 58.200 0.097 0.000 0.994 173 S CB 0.716 63.937 63.200 0.036 0.000 1.012 173 S HN 0.799 nan 8.310 nan 0.000 0.550 174 R N 1.321 121.890 120.500 0.115 0.000 2.504 174 R HA 0.130 4.470 4.340 0.001 0.000 0.291 174 R C -0.787 175.474 176.300 -0.065 0.000 0.974 174 R CA 0.657 56.774 56.100 0.028 0.000 1.077 174 R CB -0.527 29.807 30.300 0.056 0.000 0.926 174 R HN 0.735 nan 8.270 nan 0.000 0.407 175 N N 5.220 123.829 118.700 -0.152 0.000 2.577 175 N HA 0.332 5.073 4.740 0.001 0.000 0.275 175 N C -2.457 172.968 175.510 -0.142 0.000 1.091 175 N CA -2.169 50.800 53.050 -0.134 0.000 0.843 175 N CB 1.961 40.356 38.487 -0.154 0.000 1.295 175 N HN 0.316 nan 8.380 nan 0.000 0.530 176 P HA -0.079 nan 4.420 nan 0.000 0.219 176 P C 0.629 177.882 177.300 -0.079 0.000 1.146 176 P CA 1.012 64.061 63.100 -0.084 0.000 0.808 176 P CB 0.456 32.122 31.700 -0.056 0.000 0.779 177 E N -1.187 118.966 120.200 -0.077 0.000 2.274 177 E HA -0.078 4.272 4.350 0.001 0.000 0.194 177 E C 1.572 178.125 176.600 -0.078 0.000 0.996 177 E CA 1.494 57.855 56.400 -0.065 0.000 0.840 177 E CB -0.958 28.707 29.700 -0.059 0.000 0.772 177 E HN 0.421 nan 8.360 nan 0.000 0.491 178 T N -1.124 113.363 114.554 -0.112 0.000 3.107 178 T HA 0.034 4.384 4.350 0.001 0.000 0.249 178 T C 0.358 175.007 174.700 -0.084 0.000 1.096 178 T CA -0.428 61.605 62.100 -0.112 0.000 1.012 178 T CB -0.015 68.753 68.868 -0.166 0.000 0.977 178 T HN -0.236 nan 8.240 nan 0.000 0.527 179 D N 3.113 123.456 120.400 -0.094 0.000 2.487 179 D HA 0.178 4.818 4.640 0.001 0.000 0.243 179 D C -0.223 176.039 176.300 -0.064 0.000 1.154 179 D CA 0.755 54.699 54.000 -0.094 0.000 0.876 179 D CB 0.746 41.457 40.800 -0.148 0.000 1.161 179 D HN 0.196 nan 8.370 nan 0.000 0.478 180 T N 2.930 117.482 114.554 -0.004 0.000 2.786 180 T HA 0.275 4.625 4.350 0.001 0.000 0.283 180 T C -0.309 174.392 174.700 0.002 0.000 0.992 180 T CA -0.526 61.581 62.100 0.012 0.000 0.954 180 T CB 0.317 69.237 68.868 0.086 0.000 0.934 180 T HN 0.082 nan 8.240 nan 0.000 0.440 181 Y N 2.460 122.715 120.300 -0.075 0.000 2.299 181 Y HA 0.532 5.082 4.550 0.001 0.000 0.326 181 Y C 0.593 176.419 175.900 -0.124 0.000 1.164 181 Y CA -1.040 57.026 58.100 -0.057 0.000 1.234 181 Y CB 0.666 39.044 38.460 -0.136 0.000 1.219 181 Y HN 0.445 nan 8.280 nan 0.000 0.497 182 I N 5.274 125.914 120.570 0.116 0.000 2.439 182 I HA 0.330 4.500 4.170 0.001 0.000 0.285 182 I C -0.763 175.336 176.117 -0.030 0.000 1.021 182 I CA -0.369 60.910 61.300 -0.035 0.000 1.091 182 I CB 0.971 38.914 38.000 -0.094 0.000 1.242 182 I HN 0.430 nan 8.210 nan 0.000 0.439 183 L N 4.258 125.445 121.223 -0.060 0.000 2.299 183 L HA 0.594 4.934 4.340 0.001 0.000 0.268 183 L C -0.390 176.436 176.870 -0.075 0.000 1.012 183 L CA -0.945 53.847 54.840 -0.079 0.000 0.816 183 L CB 0.904 42.981 42.059 0.031 0.000 1.355 183 L HN 0.226 nan 8.230 nan 0.000 0.457 184 F N 0.461 120.484 119.950 0.123 0.000 2.496 184 F HA 0.102 4.629 4.527 0.000 0.000 0.344 184 F C 0.765 176.681 175.800 0.194 0.000 1.155 184 F CA 0.160 58.240 58.000 0.134 0.000 1.302 184 F CB 0.123 39.192 39.000 0.116 0.000 1.159 184 F HN 0.344 nan 8.300 nan 0.000 0.595 185 N N 2.901 121.849 118.700 0.413 0.000 2.746 185 N HA 0.324 5.064 4.740 0.001 0.000 0.250 185 N C -2.336 173.399 175.510 0.374 0.000 1.146 185 N CA -2.177 51.115 53.050 0.404 0.000 0.828 185 N CB 1.101 39.767 38.487 0.298 0.000 1.158 185 N HN 0.052 nan 8.380 nan 0.000 0.519 186 P HA -0.014 nan 4.420 nan 0.000 0.223 186 P C 0.754 178.001 177.300 -0.088 0.000 1.144 186 P CA 0.949 64.028 63.100 -0.035 0.000 0.783 186 P CB 0.127 31.581 31.700 -0.410 0.000 0.771 187 W N -2.391 118.987 121.300 0.130 0.000 3.197 187 W HA 0.212 4.872 4.660 0.000 0.000 0.274 187 W C 0.266 176.921 176.519 0.227 0.000 1.297 187 W CA -0.322 57.109 57.345 0.144 0.000 1.662 187 W CB -0.213 29.274 29.460 0.045 0.000 1.106 187 W HN -0.110 nan 8.180 nan 0.000 0.663 188 C N 3.186 122.717 119.300 0.386 0.000 2.265 188 C HA 0.152 4.613 4.460 0.001 0.000 0.332 188 C C 1.874 176.790 174.990 -0.123 0.000 1.248 188 C CA -0.234 58.866 59.018 0.137 0.000 1.727 188 C CB -0.015 27.788 27.740 0.106 0.000 2.348 188 C HN 0.551 nan 8.230 nan 0.000 0.519 189 E N 2.137 122.016 120.200 -0.536 0.000 2.267 189 E HA -0.205 4.146 4.350 0.001 0.000 0.197 189 E C 0.526 176.812 176.600 -0.522 0.000 0.998 189 E CA 1.673 57.394 56.400 -1.132 0.000 0.830 189 E CB -0.041 29.185 29.700 -0.789 0.000 0.751 189 E HN 0.761 nan 8.360 nan 0.000 0.491 190 D N 0.764 121.023 120.400 -0.235 0.000 2.349 190 D HA 0.011 4.651 4.640 0.001 0.000 0.214 190 D C -0.200 176.086 176.300 -0.024 0.000 1.063 190 D CA 0.093 54.027 54.000 -0.110 0.000 0.847 190 D CB 0.114 40.861 40.800 -0.088 0.000 0.933 190 D HN 0.151 nan 8.370 nan 0.000 0.513 191 D N 0.630 121.047 120.400 0.029 0.000 2.264 191 D HA 0.221 4.861 4.640 0.001 0.000 0.250 191 D C 1.149 177.529 176.300 0.133 0.000 1.113 191 D CA -0.360 53.708 54.000 0.113 0.000 0.871 191 D CB 1.824 42.734 40.800 0.182 0.000 1.167 191 D HN -0.070 nan 8.370 nan 0.000 0.447 192 A N 3.326 126.212 122.820 0.110 0.000 2.084 192 A HA -0.128 4.192 4.320 0.001 0.000 0.221 192 A C 1.942 179.555 177.584 0.048 0.000 1.161 192 A CA 1.029 53.102 52.037 0.061 0.000 0.653 192 A CB -0.068 18.958 19.000 0.044 0.000 0.802 192 A HN 0.476 nan 8.150 nan 0.000 0.457 193 V N -1.189 118.789 119.914 0.106 0.000 3.649 193 V HA 0.032 4.153 4.120 0.001 0.000 0.275 193 V C 0.756 176.980 176.094 0.217 0.000 1.281 193 V CA -0.255 62.107 62.300 0.105 0.000 1.143 193 V CB -1.107 30.741 31.823 0.041 0.000 0.892 193 V HN 0.605 nan 8.190 nan 0.000 0.441 194 Y N 1.403 121.761 120.300 0.097 0.000 2.881 194 Y HA 0.094 4.644 4.550 0.000 0.000 0.335 194 Y C -0.165 175.803 175.900 0.115 0.000 1.263 194 Y CA 0.475 58.615 58.100 0.067 0.000 1.572 194 Y CB 0.087 38.579 38.460 0.053 0.000 1.237 194 Y HN 0.094 nan 8.280 nan 0.000 0.568 195 L N 7.209 127.995 121.223 -0.730 0.000 2.376 195 L HA 0.190 4.530 4.340 0.001 0.000 0.275 195 L C 0.756 176.995 176.870 -1.052 0.000 0.987 195 L CA -0.744 53.588 54.840 -0.846 0.000 0.828 195 L CB 1.495 43.048 42.059 -0.843 0.000 1.249 195 L HN 0.727 nan 8.230 nan 0.000 0.409 196 D N 2.006 121.890 120.400 -0.860 0.000 2.204 196 D HA -0.197 4.443 4.640 0.001 0.000 0.189 196 D C 0.407 176.516 176.300 -0.318 0.000 1.006 196 D CA 1.890 55.571 54.000 -0.530 0.000 0.855 196 D CB 0.090 40.733 40.800 -0.262 0.000 0.946 196 D HN 0.757 nan 8.370 nan 0.000 0.448 197 N N -1.136 117.380 118.700 -0.307 0.000 2.362 197 N HA 0.232 4.972 4.740 0.001 0.000 0.299 197 N C 0.370 175.733 175.510 -0.245 0.000 1.170 197 N CA -0.663 52.265 53.050 -0.202 0.000 0.825 197 N CB 1.784 40.183 38.487 -0.146 0.000 1.299 197 N HN -0.343 nan 8.380 nan 0.000 0.502 198 E N 0.543 120.656 120.200 -0.145 0.000 2.106 198 E HA -0.111 4.240 4.350 0.001 0.000 0.192 198 E C 0.976 177.498 176.600 -0.129 0.000 0.984 198 E CA 1.544 57.879 56.400 -0.109 0.000 0.806 198 E CB 0.046 29.755 29.700 0.014 0.000 0.750 198 E HN 0.636 nan 8.360 nan 0.000 0.458 199 K N 0.151 120.474 120.400 -0.128 0.000 2.063 199 K HA -0.176 4.145 4.320 0.001 0.000 0.208 199 K C 2.171 178.628 176.600 -0.238 0.000 1.048 199 K CA 1.694 57.894 56.287 -0.144 0.000 0.928 199 K CB -0.105 32.323 32.500 -0.121 0.000 0.713 199 K HN 0.231 nan 8.250 nan 0.000 0.442 200 E N 0.217 120.247 120.200 -0.282 0.000 2.072 200 E HA -0.133 4.218 4.350 0.001 0.000 0.190 200 E C 2.144 178.523 176.600 -0.369 0.000 0.982 200 E CA 0.811 56.984 56.400 -0.379 0.000 0.803 200 E CB 0.054 29.600 29.700 -0.257 0.000 0.755 200 E HN 0.213 nan 8.360 nan 0.000 0.453 201 R N 0.805 121.069 120.500 -0.393 0.000 2.083 201 R HA -0.186 4.154 4.340 0.001 0.000 0.237 201 R C 2.364 178.527 176.300 -0.229 0.000 1.137 201 R CA 1.528 57.338 56.100 -0.483 0.000 0.951 201 R CB -0.229 29.530 30.300 -0.901 0.000 0.851 201 R HN 0.062 nan 8.270 nan 0.000 0.434 202 E N 0.917 121.037 120.200 -0.134 0.000 2.070 202 E HA -0.270 4.080 4.350 0.001 0.000 0.197 202 E C 1.811 178.381 176.600 -0.051 0.000 1.004 202 E CA 1.883 58.276 56.400 -0.011 0.000 0.805 202 E CB -0.038 29.650 29.700 -0.019 0.000 0.744 202 E HN 0.187 nan 8.360 nan 0.000 0.451 203 E N -0.774 119.294 120.200 -0.220 0.000 2.015 203 E HA -0.154 4.196 4.350 0.001 0.000 0.191 203 E C 1.692 178.210 176.600 -0.136 0.000 0.991 203 E CA 1.569 57.794 56.400 -0.291 0.000 0.802 203 E CB -0.555 28.741 29.700 -0.675 0.000 0.759 203 E HN 0.452 nan 8.360 nan 0.000 0.447 204 Y N -0.676 119.624 120.300 -0.001 0.000 2.583 204 Y HA 0.105 4.655 4.550 0.001 0.000 0.293 204 Y C 1.833 177.730 175.900 -0.006 0.000 1.157 204 Y CA 0.310 58.419 58.100 0.016 0.000 1.315 204 Y CB 0.067 38.569 38.460 0.071 0.000 1.021 204 Y HN -0.027 nan 8.280 nan 0.000 0.536 205 V N -2.212 117.778 119.914 0.127 0.000 2.948 205 V HA 0.001 4.122 4.120 0.001 0.000 0.234 205 V C 1.515 177.768 176.094 0.264 0.000 1.205 205 V CA 0.344 62.737 62.300 0.156 0.000 1.234 205 V CB -0.125 31.769 31.823 0.117 0.000 1.020 205 V HN 0.044 nan 8.190 nan 0.000 0.491 206 L N 0.445 121.846 121.223 0.297 0.000 2.375 206 L HA 0.276 4.616 4.340 0.001 0.000 0.215 206 L C 1.001 178.087 176.870 0.361 0.000 1.108 206 L CA 0.783 55.858 54.840 0.393 0.000 0.830 206 L CB -1.021 41.220 42.059 0.302 0.000 0.959 206 L HN 0.294 nan 8.230 nan 0.000 0.457 207 N N 1.259 120.105 118.700 0.242 0.000 2.470 207 N HA -0.029 4.711 4.740 0.001 0.000 0.268 207 N C 0.205 175.899 175.510 0.307 0.000 1.136 207 N CA 0.197 53.387 53.050 0.233 0.000 0.961 207 N CB 0.984 39.575 38.487 0.173 0.000 1.067 207 N HN 0.164 nan 8.380 nan 0.000 0.468 208 D N 2.805 123.383 120.400 0.296 0.000 2.402 208 D HA 0.152 4.792 4.640 0.001 0.000 0.216 208 D C 0.038 176.463 176.300 0.209 0.000 1.128 208 D CA 0.045 54.224 54.000 0.298 0.000 0.833 208 D CB -0.068 40.884 40.800 0.252 0.000 0.971 208 D HN 0.370 nan 8.370 nan 0.000 0.503 209 I N 0.409 121.072 120.570 0.155 0.000 2.466 209 I HA 0.575 4.746 4.170 0.001 0.000 0.289 209 I C 0.550 176.630 176.117 -0.062 0.000 1.026 209 I CA -0.903 60.361 61.300 -0.060 0.000 1.078 209 I CB 2.385 40.363 38.000 -0.036 0.000 1.249 209 I HN -0.030 nan 8.210 nan 0.000 0.429 210 G N 4.504 113.074 108.800 -0.383 0.000 2.887 210 G HA2 0.798 4.758 3.960 0.001 0.000 0.277 210 G HA3 0.798 4.758 3.960 0.001 0.000 0.277 210 G C -1.379 173.470 174.900 -0.084 0.000 1.346 210 G CA -0.603 44.437 45.100 -0.099 0.000 1.058 210 G HN 0.323 nan 8.290 nan 0.000 0.535 211 V N 0.425 120.311 119.914 -0.046 0.000 2.733 211 V HA 0.430 4.550 4.120 0.001 0.000 0.306 211 V C -0.680 175.245 176.094 -0.281 0.000 1.084 211 V CA -0.527 61.646 62.300 -0.211 0.000 0.905 211 V CB 1.778 33.428 31.823 -0.288 0.000 1.010 211 V HN 0.561 nan 8.190 nan 0.000 0.424 212 I N 4.252 124.611 120.570 -0.352 0.000 2.441 212 I HA 0.505 4.676 4.170 0.001 0.000 0.295 212 I C -1.058 174.803 176.117 -0.425 0.000 0.994 212 I CA -0.391 60.741 61.300 -0.279 0.000 1.144 212 I CB 1.849 39.720 38.000 -0.215 0.000 1.314 212 I HN 0.426 nan 8.210 nan 0.000 0.445 213 F N 6.029 125.920 119.950 -0.098 0.000 2.420 213 F HA 0.453 4.980 4.527 0.000 0.000 0.342 213 F C 0.168 175.816 175.800 -0.253 0.000 1.113 213 F CA -0.355 57.574 58.000 -0.119 0.000 1.059 213 F CB 1.028 39.978 39.000 -0.084 0.000 1.128 213 F HN 0.393 nan 8.300 nan 0.000 0.475 214 Y N 0.390 120.471 120.300 -0.366 0.000 3.175 214 Y HA 0.925 5.475 4.550 0.001 0.000 0.294 214 Y C 0.556 176.219 175.900 -0.396 0.000 1.750 214 Y CA -1.232 56.290 58.100 -0.963 0.000 1.054 214 Y CB 0.244 38.011 38.460 -1.155 0.000 1.465 214 Y HN 0.871 nan 8.280 nan 0.000 0.535 215 G N 0.951 109.568 108.800 -0.306 0.000 2.520 215 G HA2 0.148 4.108 3.960 0.001 0.000 0.248 215 G HA3 0.148 4.108 3.960 0.001 0.000 0.248 215 G C -0.895 174.091 174.900 0.143 0.000 1.161 215 G CA 0.417 45.460 45.100 -0.095 0.000 0.946 215 G HN 1.398 nan 8.290 nan 0.000 0.565 216 E N -1.921 118.267 120.200 -0.021 0.000 2.413 216 E HA 0.670 5.020 4.350 0.001 0.000 0.277 216 E C 0.581 176.885 176.600 -0.494 0.000 0.958 216 E CA -0.144 56.203 56.400 -0.088 0.000 0.779 216 E CB 1.390 31.077 29.700 -0.023 0.000 1.278 216 E HN 1.425 nan 8.360 nan 0.000 0.456 217 V N 1.347 120.855 119.914 -0.678 0.000 2.453 217 V HA -0.280 3.840 4.120 0.001 0.000 0.252 217 V C 0.590 176.419 176.094 -0.441 0.000 1.068 217 V CA 2.601 64.446 62.300 -0.758 0.000 1.070 217 V CB -0.763 30.759 31.823 -0.502 0.000 0.664 217 V HN 0.717 nan 8.190 nan 0.000 0.461 218 N N -0.309 118.227 118.700 -0.274 0.000 2.314 218 N HA 0.090 4.830 4.740 0.001 0.000 0.200 218 N C -0.366 175.037 175.510 -0.180 0.000 1.135 218 N CA 0.485 53.425 53.050 -0.183 0.000 0.835 218 N CB 0.336 38.757 38.487 -0.111 0.000 0.989 218 N HN 0.418 nan 8.380 nan 0.000 0.478 219 D N 0.855 121.116 120.400 -0.232 0.000 3.117 219 D HA 0.050 4.691 4.640 0.001 0.000 0.241 219 D C -1.016 175.134 176.300 -0.250 0.000 1.385 219 D CA -0.348 53.533 54.000 -0.198 0.000 0.855 219 D CB 0.046 40.759 40.800 -0.145 0.000 1.498 219 D HN -0.107 nan 8.370 nan 0.000 0.584 220 I N 2.345 122.750 120.570 -0.276 0.000 2.581 220 I HA 0.121 4.291 4.170 0.001 0.000 0.285 220 I C 0.829 176.804 176.117 -0.236 0.000 1.129 220 I CA 0.058 61.209 61.300 -0.248 0.000 1.397 220 I CB 0.018 37.912 38.000 -0.176 0.000 1.399 220 I HN 0.050 nan 8.210 nan 0.000 0.537 221 K N 5.079 125.214 120.400 -0.441 0.000 2.118 221 K HA 0.637 4.957 4.320 0.001 0.000 0.254 221 K C 0.230 176.459 176.600 -0.618 0.000 0.961 221 K CA -0.489 55.364 56.287 -0.724 0.000 0.876 221 K CB 2.161 33.733 32.500 -1.548 0.000 1.077 221 K HN 0.747 nan 8.250 nan 0.000 0.440 222 T N -1.176 113.129 114.554 -0.416 0.000 2.906 222 T HA 0.716 5.066 4.350 0.001 0.000 0.295 222 T C -0.566 174.056 174.700 -0.129 0.000 1.075 222 T CA -1.016 60.869 62.100 -0.359 0.000 1.005 222 T CB 2.586 71.198 68.868 -0.427 0.000 1.136 222 T HN 0.567 nan 8.240 nan 0.000 0.498 223 R N 0.955 121.336 120.500 -0.197 0.000 2.663 223 R HA 0.498 4.838 4.340 0.001 0.000 0.267 223 R C -1.652 174.508 176.300 -0.233 0.000 1.038 223 R CA -0.498 55.476 56.100 -0.210 0.000 0.886 223 R CB 1.759 31.812 30.300 -0.412 0.000 1.249 223 R HN 0.725 nan 8.270 nan 0.000 0.463 224 S N 1.893 117.485 115.700 -0.180 0.000 2.586 224 S HA 0.522 4.992 4.470 0.001 0.000 0.274 224 S C -1.122 173.438 174.600 -0.067 0.000 1.281 224 S CA -0.520 57.603 58.200 -0.129 0.000 1.035 224 S CB 0.648 63.780 63.200 -0.113 0.000 0.962 224 S HN 0.471 nan 8.310 nan 0.000 0.512 225 W N 2.095 123.212 121.300 -0.306 0.000 2.839 225 W HA 0.394 5.054 4.660 0.000 0.000 0.334 225 W C -0.630 175.627 176.519 -0.436 0.000 1.064 225 W CA -0.616 56.538 57.345 -0.319 0.000 1.236 225 W CB 1.855 31.137 29.460 -0.297 0.000 1.405 225 W HN 0.566 nan 8.180 nan 0.000 0.478 226 S N 4.659 119.984 115.700 -0.625 0.000 2.416 226 S HA 0.147 4.618 4.470 0.001 0.000 0.287 226 S C 0.473 174.906 174.600 -0.279 0.000 1.139 226 S CA -0.178 57.773 58.200 -0.415 0.000 1.058 226 S CB 0.261 63.272 63.200 -0.316 0.000 0.967 226 S HN 0.412 nan 8.310 nan 0.000 0.495 227 Y N 3.992 124.347 120.300 0.091 0.000 2.184 227 Y HA 0.162 4.713 4.550 0.001 0.000 0.290 227 Y C 2.265 178.185 175.900 0.034 0.000 1.129 227 Y CA 0.425 58.605 58.100 0.134 0.000 1.144 227 Y CB -0.930 37.597 38.460 0.112 0.000 0.995 227 Y HN 0.901 nan 8.280 nan 0.000 0.513 228 G N 1.384 110.261 108.800 0.129 0.000 2.390 228 G HA2 -0.328 3.633 3.960 0.001 0.000 0.299 228 G HA3 -0.328 3.633 3.960 0.001 0.000 0.299 228 G C 1.106 176.009 174.900 0.006 0.000 1.002 228 G CA 0.697 45.842 45.100 0.075 0.000 0.979 228 G HN 0.524 nan 8.290 nan 0.000 0.513 229 Q N -1.011 118.679 119.800 -0.184 0.000 2.364 229 Q HA -0.011 4.330 4.340 0.001 0.000 0.207 229 Q C 1.607 177.315 176.000 -0.486 0.000 0.970 229 Q CA 1.358 56.937 55.803 -0.374 0.000 0.888 229 Q CB -0.231 28.165 28.738 -0.569 0.000 0.951 229 Q HN 0.633 nan 8.270 nan 0.000 0.469 230 F N 1.396 121.304 119.950 -0.070 0.000 2.727 230 F HA 0.299 4.826 4.527 0.001 0.000 0.302 230 F C 0.822 176.655 175.800 0.056 0.000 1.097 230 F CA -0.557 57.350 58.000 -0.154 0.000 1.330 230 F CB 0.162 39.002 39.000 -0.268 0.000 1.084 230 F HN -0.127 nan 8.300 nan 0.000 0.578 231 E N 1.129 121.461 120.200 0.221 0.000 2.408 231 E HA -0.053 4.297 4.350 0.001 0.000 0.259 231 E C -0.400 176.291 176.600 0.152 0.000 1.110 231 E CA -0.118 56.414 56.400 0.220 0.000 0.929 231 E CB 0.495 30.319 29.700 0.208 0.000 0.971 231 E HN 0.041 nan 8.360 nan 0.000 0.438 232 D N -0.328 120.125 120.400 0.088 0.000 2.487 232 D HA 0.116 4.757 4.640 0.001 0.000 0.243 232 D C 1.057 177.388 176.300 0.051 0.000 1.154 232 D CA 1.722 55.746 54.000 0.039 0.000 0.876 232 D CB 0.192 40.966 40.800 -0.045 0.000 1.161 232 D HN 0.552 nan 8.370 nan 0.000 0.478 233 G N 3.696 112.530 108.800 0.058 0.000 2.284 233 G HA2 -0.278 3.683 3.960 0.001 0.000 0.230 233 G HA3 -0.278 3.683 3.960 0.001 0.000 0.230 233 G C 1.205 176.158 174.900 0.088 0.000 1.021 233 G CA 0.236 45.371 45.100 0.059 0.000 0.619 233 G HN 0.495 nan 8.290 nan 0.000 0.510 234 I N 1.142 121.777 120.570 0.108 0.000 2.226 234 I HA -0.002 4.169 4.170 0.001 0.000 0.245 234 I C 2.792 178.989 176.117 0.134 0.000 1.100 234 I CA 1.445 62.822 61.300 0.127 0.000 1.374 234 I CB -1.332 36.736 38.000 0.114 0.000 1.057 234 I HN 0.381 nan 8.210 nan 0.000 0.413 235 L N 0.669 121.963 121.223 0.119 0.000 2.012 235 L HA -0.260 4.081 4.340 0.001 0.000 0.210 235 L C 2.279 179.219 176.870 0.117 0.000 1.073 235 L CA 1.769 56.651 54.840 0.069 0.000 0.748 235 L CB -0.359 41.629 42.059 -0.119 0.000 0.891 235 L HN 0.255 nan 8.230 nan 0.000 0.431 236 D N -0.972 119.511 120.400 0.138 0.000 2.178 236 D HA -0.157 4.483 4.640 0.001 0.000 0.201 236 D C 1.998 178.427 176.300 0.215 0.000 0.980 236 D CA 1.680 55.794 54.000 0.190 0.000 0.842 236 D CB -0.007 40.887 40.800 0.156 0.000 0.948 236 D HN 0.369 nan 8.370 nan 0.000 0.472 237 T N 0.142 114.821 114.554 0.209 0.000 2.867 237 T HA -0.116 4.234 4.350 0.001 0.000 0.268 237 T C 2.233 177.178 174.700 0.408 0.000 1.057 237 T CA 0.644 62.928 62.100 0.306 0.000 1.136 237 T CB -0.293 68.732 68.868 0.261 0.000 0.874 237 T HN 0.247 nan 8.240 nan 0.000 0.466 238 C N 0.912 120.405 119.300 0.322 0.000 2.440 238 C HA 0.074 4.534 4.460 0.001 0.000 0.278 238 C C 2.527 177.727 174.990 0.350 0.000 1.295 238 C CA 0.078 59.314 59.018 0.363 0.000 1.738 238 C CB -1.257 26.506 27.740 0.039 0.000 1.987 238 C HN 0.379 nan 8.230 nan 0.000 0.492 239 L N -0.133 121.241 121.223 0.252 0.000 2.093 239 L HA -0.095 4.246 4.340 0.001 0.000 0.208 239 L C 2.238 179.253 176.870 0.243 0.000 1.085 239 L CA 1.674 56.641 54.840 0.212 0.000 0.755 239 L CB -1.542 40.623 42.059 0.176 0.000 0.904 239 L HN 0.445 nan 8.230 nan 0.000 0.435 240 Y N -0.557 119.842 120.300 0.165 0.000 2.181 240 Y HA -0.204 4.346 4.550 0.001 0.000 0.288 240 Y C 2.417 178.444 175.900 0.211 0.000 1.146 240 Y CA 1.416 59.602 58.100 0.144 0.000 1.164 240 Y CB -0.335 38.190 38.460 0.109 0.000 0.982 240 Y HN -0.067 nan 8.280 nan 0.000 0.515 241 V N 0.829 120.879 119.914 0.227 0.000 2.255 241 V HA -0.412 3.708 4.120 0.001 0.000 0.247 241 V C 2.443 178.572 176.094 0.059 0.000 1.051 241 V CA 2.530 64.925 62.300 0.159 0.000 1.018 241 V CB -0.664 31.306 31.823 0.246 0.000 0.641 241 V HN 0.492 nan 8.190 nan 0.000 0.445 242 M N -0.600 119.103 119.600 0.171 0.000 2.149 242 M HA -0.195 4.285 4.480 0.001 0.000 0.261 242 M C 1.884 178.203 176.300 0.032 0.000 1.064 242 M CA 1.766 57.142 55.300 0.126 0.000 1.102 242 M CB -0.681 32.036 32.600 0.196 0.000 1.369 242 M HN 0.347 nan 8.290 nan 0.000 0.408 243 D N -0.000 120.396 120.400 -0.007 0.000 2.117 243 D HA -0.083 4.557 4.640 0.001 0.000 0.198 243 D C 2.119 178.354 176.300 -0.108 0.000 0.982 243 D CA 0.913 54.886 54.000 -0.045 0.000 0.828 243 D CB -0.247 40.539 40.800 -0.023 0.000 0.967 243 D HN 0.139 nan 8.370 nan 0.000 0.464 244 R N 0.670 121.031 120.500 -0.232 0.000 2.152 244 R HA 0.040 4.381 4.340 0.001 0.000 0.232 244 R C 1.742 177.991 176.300 -0.085 0.000 1.117 244 R CA 0.741 56.718 56.100 -0.206 0.000 0.981 244 R CB -0.657 29.467 30.300 -0.293 0.000 0.870 244 R HN 0.117 nan 8.270 nan 0.000 0.451 245 A N 0.548 123.331 122.820 -0.063 0.000 2.251 245 A HA -0.004 4.317 4.320 0.001 0.000 0.209 245 A C 0.337 177.905 177.584 -0.028 0.000 1.187 245 A CA -0.098 51.913 52.037 -0.044 0.000 0.823 245 A CB -0.089 18.884 19.000 -0.046 0.000 0.846 245 A HN 0.367 nan 8.150 nan 0.000 0.486 246 Q N -1.426 118.361 119.800 -0.022 0.000 2.435 246 Q HA -0.212 4.129 4.340 0.001 0.000 0.312 246 Q C 0.048 176.050 176.000 0.004 0.000 1.333 246 Q CA 0.820 56.620 55.803 -0.006 0.000 0.883 246 Q CB -1.540 27.194 28.738 -0.007 0.000 1.170 246 Q HN 0.824 nan 8.270 nan 0.000 0.443 247 M N 1.434 121.043 119.600 0.014 0.000 2.251 247 M HA 0.086 4.566 4.480 0.001 0.000 0.346 247 M C 0.055 176.378 176.300 0.038 0.000 1.499 247 M CA -0.172 55.145 55.300 0.030 0.000 1.128 247 M CB 0.465 33.098 32.600 0.054 0.000 1.809 247 M HN 0.127 nan 8.290 nan 0.000 0.464 248 D N 4.226 124.646 120.400 0.035 0.000 2.586 248 D HA -0.089 4.552 4.640 0.001 0.000 0.234 248 D C 0.850 177.181 176.300 0.052 0.000 1.132 248 D CA 0.469 54.493 54.000 0.040 0.000 0.860 248 D CB 0.566 41.388 40.800 0.037 0.000 1.159 248 D HN 0.726 nan 8.370 nan 0.000 0.490 249 L N 2.751 124.002 121.223 0.047 0.000 2.131 249 L HA -0.184 4.157 4.340 0.001 0.000 0.210 249 L C 2.190 179.098 176.870 0.064 0.000 1.092 249 L CA 1.332 56.196 54.840 0.040 0.000 0.759 249 L CB -0.424 41.644 42.059 0.015 0.000 0.903 249 L HN 0.481 nan 8.230 nan 0.000 0.435 250 S N -1.185 114.559 115.700 0.074 0.000 2.660 250 S HA 0.040 4.510 4.470 0.001 0.000 0.223 250 S C 1.502 176.160 174.600 0.096 0.000 0.963 250 S CA 0.399 58.653 58.200 0.091 0.000 0.932 250 S CB 0.015 63.268 63.200 0.087 0.000 0.775 250 S HN 0.415 nan 8.310 nan 0.000 0.531 251 G N 1.088 109.944 108.800 0.093 0.000 3.062 251 G HA2 0.164 4.125 3.960 0.001 0.000 0.228 251 G HA3 0.164 4.125 3.960 0.001 0.000 0.228 251 G C 1.313 176.298 174.900 0.141 0.000 1.094 251 G CA -0.598 44.566 45.100 0.107 0.000 0.782 251 G HN 0.444 nan 8.290 nan 0.000 0.541 252 R N 0.399 120.979 120.500 0.134 0.000 2.307 252 R HA 0.068 4.409 4.340 0.001 0.000 0.199 252 R C 2.300 178.708 176.300 0.179 0.000 1.000 252 R CA 0.580 56.777 56.100 0.161 0.000 1.023 252 R CB 0.213 30.575 30.300 0.103 0.000 0.908 252 R HN 0.263 nan 8.270 nan 0.000 0.473 253 G N 0.484 109.388 108.800 0.173 0.000 2.838 253 G HA2 -0.137 3.823 3.960 0.001 0.000 0.210 253 G HA3 -0.137 3.823 3.960 0.001 0.000 0.210 253 G C 0.342 175.453 174.900 0.352 0.000 1.153 253 G CA -0.290 44.919 45.100 0.182 0.000 0.778 253 G HN 0.111 nan 8.290 nan 0.000 0.539 254 N N 1.244 120.123 118.700 0.298 0.000 2.437 254 N HA 0.218 4.958 4.740 0.001 0.000 0.243 254 N C -1.194 174.450 175.510 0.223 0.000 1.041 254 N CA -2.434 50.757 53.050 0.235 0.000 0.940 254 N CB 2.183 40.765 38.487 0.157 0.000 1.133 254 N HN -0.058 nan 8.380 nan 0.000 0.506 255 P HA -0.080 nan 4.420 nan 0.000 0.223 255 P C 1.356 178.638 177.300 -0.029 0.000 1.151 255 P CA 0.909 63.915 63.100 -0.157 0.000 0.787 255 P CB 0.518 31.950 31.700 -0.448 0.000 0.788 256 I N 0.177 120.765 120.570 0.030 0.000 2.252 256 I HA -0.183 3.988 4.170 0.001 0.000 0.245 256 I C 2.759 178.903 176.117 0.044 0.000 1.102 256 I CA 1.438 62.776 61.300 0.063 0.000 1.385 256 I CB -0.537 37.540 38.000 0.128 0.000 1.064 256 I HN -0.065 nan 8.210 nan 0.000 0.414 257 K N 0.946 121.388 120.400 0.071 0.000 2.103 257 K HA -0.096 4.224 4.320 0.001 0.000 0.204 257 K C 2.081 178.728 176.600 0.078 0.000 1.052 257 K CA 0.935 57.251 56.287 0.048 0.000 0.945 257 K CB 0.126 32.674 32.500 0.080 0.000 0.722 257 K HN 0.055 nan 8.250 nan 0.000 0.443 258 V N 0.856 120.866 119.914 0.160 0.000 2.295 258 V HA -0.253 3.867 4.120 0.001 0.000 0.246 258 V C 2.120 178.388 176.094 0.290 0.000 1.049 258 V CA 2.134 64.592 62.300 0.263 0.000 1.024 258 V CB -0.390 31.631 31.823 0.329 0.000 0.648 258 V HN 0.340 nan 8.190 nan 0.000 0.447 259 S N -0.292 115.542 115.700 0.224 0.000 2.356 259 S HA -0.237 4.234 4.470 0.001 0.000 0.223 259 S C 2.099 176.769 174.600 0.117 0.000 1.032 259 S CA 1.753 60.142 58.200 0.315 0.000 1.005 259 S CB -0.397 62.936 63.200 0.222 0.000 0.867 259 S HN 0.489 nan 8.310 nan 0.000 0.449 260 R N 1.320 121.783 120.500 -0.061 0.000 2.091 260 R HA -0.028 4.312 4.340 0.001 0.000 0.238 260 R C 1.948 178.124 176.300 -0.206 0.000 1.136 260 R CA 1.535 57.486 56.100 -0.247 0.000 0.959 260 R CB -0.855 29.196 30.300 -0.416 0.000 0.856 260 R HN 0.292 nan 8.270 nan 0.000 0.437 261 V N -0.492 119.355 119.914 -0.113 0.000 2.446 261 V HA 0.053 4.174 4.120 0.001 0.000 0.244 261 V C 2.206 178.214 176.094 -0.144 0.000 1.039 261 V CA 1.731 63.967 62.300 -0.108 0.000 1.045 261 V CB -0.651 31.152 31.823 -0.032 0.000 0.681 261 V HN 0.609 nan 8.190 nan 0.000 0.459 262 G N 0.730 109.480 108.800 -0.082 0.000 2.418 262 G HA2 -0.270 3.690 3.960 0.001 0.000 0.217 262 G HA3 -0.270 3.690 3.960 0.001 0.000 0.217 262 G C 1.863 176.459 174.900 -0.507 0.000 1.158 262 G CA 1.413 46.329 45.100 -0.307 0.000 0.771 262 G HN 0.621 nan 8.290 nan 0.000 0.545 263 S N 1.276 116.566 115.700 -0.683 0.000 2.383 263 S HA 0.137 4.608 4.470 0.001 0.000 0.227 263 S C 2.554 176.800 174.600 -0.590 0.000 1.026 263 S CA 1.338 58.883 58.200 -1.091 0.000 0.981 263 S CB -0.455 62.109 63.200 -1.061 0.000 0.818 263 S HN 0.586 nan 8.310 nan 0.000 0.472 264 A N 1.347 123.927 122.820 -0.400 0.000 2.125 264 A HA 0.165 4.485 4.320 0.001 0.000 0.219 264 A C 2.117 179.544 177.584 -0.262 0.000 1.156 264 A CA 1.191 53.062 52.037 -0.276 0.000 0.671 264 A CB -0.547 18.318 19.000 -0.225 0.000 0.794 264 A HN 0.485 nan 8.150 nan 0.000 0.459 265 M N -0.952 118.459 119.600 -0.315 0.000 2.541 265 M HA 0.055 4.535 4.480 0.001 0.000 0.252 265 M C 1.890 177.986 176.300 -0.340 0.000 1.125 265 M CA 0.595 55.724 55.300 -0.286 0.000 1.091 265 M CB -0.461 31.971 32.600 -0.280 0.000 1.420 265 M HN 0.235 nan 8.290 nan 0.000 0.486 266 V N 0.833 120.507 119.914 -0.401 0.000 2.307 266 V HA -0.147 3.973 4.120 0.001 0.000 0.245 266 V C 1.340 177.173 176.094 -0.435 0.000 1.045 266 V CA 1.128 63.194 62.300 -0.391 0.000 1.024 266 V CB -0.492 31.094 31.823 -0.395 0.000 0.651 266 V HN 0.503 nan 8.190 nan 0.000 0.449 267 N N 0.657 119.043 118.700 -0.524 0.000 2.434 267 N HA 0.311 5.051 4.740 0.001 0.000 0.272 267 N C -0.352 175.025 175.510 -0.221 0.000 1.040 267 N CA 0.081 52.826 53.050 -0.508 0.000 0.956 267 N CB 1.445 39.578 38.487 -0.589 0.000 1.108 267 N HN 0.310 nan 8.380 nan 0.000 0.481 268 A N 4.107 126.865 122.820 -0.102 0.000 2.347 268 A HA 0.209 4.530 4.320 0.001 0.000 0.287 268 A C -0.122 177.471 177.584 0.015 0.000 1.199 268 A CA -0.204 51.819 52.037 -0.023 0.000 0.851 268 A CB 0.126 19.147 19.000 0.034 0.000 1.118 268 A HN 0.660 nan 8.150 nan 0.000 0.525 269 K N 3.717 124.120 120.400 0.006 0.000 2.281 269 K HA 0.384 4.704 4.320 0.001 0.000 0.272 269 K C -0.553 176.068 176.600 0.034 0.000 1.048 269 K CA -0.639 55.659 56.287 0.018 0.000 0.898 269 K CB 0.799 33.304 32.500 0.008 0.000 1.128 269 K HN 0.837 nan 8.250 nan 0.000 0.460 270 D N 2.031 122.460 120.400 0.050 0.000 4.230 270 D HA -0.243 4.398 4.640 0.001 0.000 0.136 270 D C -0.249 176.089 176.300 0.064 0.000 0.802 270 D CA 1.394 55.427 54.000 0.055 0.000 1.112 270 D CB -0.399 40.425 40.800 0.041 0.000 0.557 270 D HN 0.700 nan 8.370 nan 0.000 0.557 271 D N 1.352 121.787 120.400 0.057 0.000 2.772 271 D HA 0.269 4.909 4.640 0.001 0.000 0.272 271 D C -0.612 175.731 176.300 0.073 0.000 1.314 271 D CA 0.036 54.077 54.000 0.067 0.000 0.835 271 D CB 0.442 41.279 40.800 0.061 0.000 1.080 271 D HN 0.035 nan 8.370 nan 0.000 0.482 272 E N 0.654 120.891 120.200 0.063 0.000 2.246 272 E HA 0.658 5.008 4.350 0.001 0.000 0.266 272 E C 0.140 176.760 176.600 0.032 0.000 0.880 272 E CA -0.654 55.782 56.400 0.059 0.000 0.762 272 E CB 1.906 31.624 29.700 0.030 0.000 1.180 272 E HN 0.206 nan 8.360 nan 0.000 0.416 273 G N 0.325 109.144 108.800 0.031 0.000 2.375 273 G HA2 -0.086 3.874 3.960 0.001 0.000 0.663 273 G HA3 -0.086 3.874 3.960 0.001 0.000 0.663 273 G C 0.277 175.054 174.900 -0.204 0.000 1.391 273 G CA -0.437 44.602 45.100 -0.101 0.000 0.949 273 G HN 0.214 nan 8.290 nan 0.000 0.646 274 V N 0.275 119.922 119.914 -0.445 0.000 2.407 274 V HA 0.227 4.347 4.120 0.001 0.000 0.245 274 V C 1.334 177.311 176.094 -0.195 0.000 1.041 274 V CA 1.554 63.482 62.300 -0.619 0.000 1.040 274 V CB -0.539 30.913 31.823 -0.618 0.000 0.671 274 V HN 0.533 nan 8.190 nan 0.000 0.455 275 L N -0.459 120.711 121.223 -0.089 0.000 2.386 275 L HA 0.500 4.840 4.340 0.001 0.000 0.271 275 L C -0.972 175.996 176.870 0.162 0.000 0.993 275 L CA -0.568 54.314 54.840 0.070 0.000 0.819 275 L CB 2.520 44.695 42.059 0.192 0.000 1.294 275 L HN -0.141 nan 8.230 nan 0.000 0.414 276 V N 2.149 122.185 119.914 0.203 0.000 2.408 276 V HA 0.377 4.497 4.120 0.001 0.000 0.267 276 V C 0.801 177.134 176.094 0.399 0.000 1.047 276 V CA -0.420 62.054 62.300 0.289 0.000 0.937 276 V CB 1.056 33.076 31.823 0.328 0.000 0.999 276 V HN 0.854 nan 8.190 nan 0.000 0.472 277 G N 3.295 112.340 108.800 0.408 0.000 2.415 277 G HA2 0.500 4.461 3.960 0.001 0.000 0.269 277 G HA3 0.500 4.461 3.960 0.001 0.000 0.269 277 G C -0.287 174.707 174.900 0.158 0.000 1.209 277 G CA -0.139 45.129 45.100 0.281 0.000 0.835 277 G HN 0.774 nan 8.290 nan 0.000 0.534 278 S N 0.917 116.479 115.700 -0.231 0.000 2.543 278 S HA 0.521 4.992 4.470 0.001 0.000 0.273 278 S C -1.123 173.452 174.600 -0.042 0.000 1.152 278 S CA -0.766 57.424 58.200 -0.017 0.000 0.910 278 S CB 0.887 63.898 63.200 -0.316 0.000 1.105 278 S HN 0.655 nan 8.310 nan 0.000 0.465 279 W N 3.390 124.695 121.300 0.009 0.000 1.658 279 W HA 0.196 4.856 4.660 0.000 0.000 0.325 279 W C 0.080 176.369 176.519 -0.384 0.000 0.833 279 W CA -0.418 56.899 57.345 -0.046 0.000 2.665 279 W CB 0.539 29.881 29.460 -0.197 0.000 1.615 279 W HN 0.874 nan 8.180 nan 0.000 0.589 280 D N -1.364 118.930 120.400 -0.176 0.000 2.342 280 D HA -0.040 4.600 4.640 0.001 0.000 0.221 280 D C 0.865 176.934 176.300 -0.384 0.000 1.101 280 D CA -0.170 53.620 54.000 -0.350 0.000 0.837 280 D CB -0.141 40.473 40.800 -0.310 0.000 0.938 280 D HN 0.079 nan 8.370 nan 0.000 0.508 281 N N -1.069 117.465 118.700 -0.276 0.000 2.809 281 N HA -0.248 4.492 4.740 0.001 0.000 0.244 281 N C 0.263 175.592 175.510 -0.300 0.000 1.018 281 N CA 1.516 54.544 53.050 -0.036 0.000 0.917 281 N CB -1.205 37.430 38.487 0.247 0.000 1.130 281 N HN 0.486 nan 8.380 nan 0.000 0.591 282 I N -2.465 117.671 120.570 -0.723 0.000 3.673 282 I HA 0.092 4.263 4.170 0.001 0.000 0.281 282 I C -0.005 175.923 176.117 -0.316 0.000 1.182 282 I CA 0.140 61.206 61.300 -0.389 0.000 1.391 282 I CB 0.118 37.966 38.000 -0.253 0.000 1.383 282 I HN 0.100 nan 8.210 nan 0.000 0.456 283 Y N 1.047 121.317 120.300 -0.049 0.000 3.078 283 Y HA -0.282 4.269 4.550 0.000 0.000 0.202 283 Y C 1.631 177.589 175.900 0.095 0.000 1.322 283 Y CA -0.021 58.080 58.100 0.001 0.000 1.118 283 Y CB -2.304 36.215 38.460 0.099 0.000 1.343 283 Y HN 0.266 nan 8.280 nan 0.000 0.499 284 A N -0.738 122.087 122.820 0.009 0.000 1.915 284 A HA -0.233 4.088 4.320 0.001 0.000 0.220 284 A C 1.134 178.551 177.584 -0.278 0.000 1.198 284 A CA 2.354 54.271 52.037 -0.200 0.000 0.647 284 A CB -0.481 18.291 19.000 -0.380 0.000 0.825 284 A HN 0.599 nan 8.150 nan 0.000 0.456 285 Y N -1.219 119.242 120.300 0.268 0.000 2.699 285 Y HA 0.495 5.045 4.550 0.000 0.000 0.282 285 Y C 0.928 176.887 175.900 0.098 0.000 1.058 285 Y CA -0.376 57.827 58.100 0.172 0.000 1.194 285 Y CB 0.333 38.871 38.460 0.131 0.000 1.193 285 Y HN 0.396 nan 8.280 nan 0.000 0.562 286 G N -0.994 107.962 108.800 0.260 0.000 2.846 286 G HA2 0.566 4.527 3.960 0.001 0.000 0.299 286 G HA3 0.566 4.527 3.960 0.001 0.000 0.299 286 G C -1.762 173.156 174.900 0.030 0.000 1.242 286 G CA -0.658 44.443 45.100 0.003 0.000 0.800 286 G HN -0.193 nan 8.290 nan 0.000 0.538 287 V N 1.680 121.531 119.914 -0.104 0.000 2.435 287 V HA 0.430 4.551 4.120 0.001 0.000 0.290 287 V C -2.218 173.694 176.094 -0.304 0.000 1.030 287 V CA -1.423 60.666 62.300 -0.352 0.000 0.881 287 V CB 1.890 33.190 31.823 -0.873 0.000 0.983 287 V HN 0.453 nan 8.190 nan 0.000 0.445 288 P HA 0.164 nan 4.420 nan 0.000 0.268 288 P C -2.077 174.913 177.300 -0.517 0.000 1.204 288 P CA -1.064 61.684 63.100 -0.587 0.000 0.768 288 P CB 0.321 31.813 31.700 -0.347 0.000 0.842 289 P HA -0.172 nan 4.420 nan 0.000 0.218 289 P C 1.049 178.462 177.300 0.188 0.000 1.146 289 P CA 1.669 64.702 63.100 -0.112 0.000 0.820 289 P CB -0.086 31.367 31.700 -0.412 0.000 0.778 290 S N -1.435 114.361 115.700 0.161 0.000 2.489 290 S HA 0.055 4.525 4.470 0.001 0.000 0.228 290 S C 1.883 176.544 174.600 0.102 0.000 0.995 290 S CA 0.829 59.229 58.200 0.334 0.000 0.934 290 S CB -0.506 62.861 63.200 0.279 0.000 0.771 290 S HN 0.152 nan 8.310 nan 0.000 0.522 291 A N 0.758 123.459 122.820 -0.199 0.000 1.930 291 A HA 0.070 4.391 4.320 0.001 0.000 0.215 291 A C 0.452 177.731 177.584 -0.508 0.000 1.176 291 A CA -0.013 51.725 52.037 -0.499 0.000 0.632 291 A CB -0.605 17.942 19.000 -0.755 0.000 0.819 291 A HN 0.562 nan 8.150 nan 0.000 0.445 292 W N 0.861 122.054 121.300 -0.177 0.000 2.314 292 W HA 0.169 4.829 4.660 0.000 0.000 0.339 292 W C 1.422 177.811 176.519 -0.218 0.000 1.293 292 W CA 0.536 57.781 57.345 -0.167 0.000 1.288 292 W CB 0.374 29.825 29.460 -0.014 0.000 1.186 292 W HN 0.310 nan 8.180 nan 0.000 0.566 293 T N -0.012 114.476 114.554 -0.110 0.000 2.990 293 T HA 0.494 4.844 4.350 0.001 0.000 0.250 293 T C 0.622 174.777 174.700 -0.908 0.000 1.041 293 T CA 0.349 62.259 62.100 -0.317 0.000 1.010 293 T CB 0.373 69.173 68.868 -0.112 0.000 1.003 293 T HN 0.645 nan 8.240 nan 0.000 0.499 294 G N 0.156 108.258 108.800 -1.163 0.000 2.430 294 G HA2 0.433 4.393 3.960 0.001 0.000 0.300 294 G HA3 0.433 4.393 3.960 0.001 0.000 0.300 294 G C -0.001 174.468 174.900 -0.717 0.000 1.330 294 G CA -0.075 44.133 45.100 -1.487 0.000 0.813 294 G HN -0.072 nan 8.290 nan 0.000 0.487 295 S N -0.761 114.801 115.700 -0.230 0.000 2.470 295 S HA 0.018 4.488 4.470 0.001 0.000 0.225 295 S C 2.462 177.058 174.600 -0.007 0.000 1.006 295 S CA 0.889 59.123 58.200 0.057 0.000 0.934 295 S CB 0.144 63.505 63.200 0.269 0.000 0.778 295 S HN 0.460 nan 8.310 nan 0.000 0.517 296 V N 4.084 123.984 119.914 -0.024 0.000 2.219 296 V HA -0.263 3.857 4.120 0.001 0.000 0.248 296 V C 2.503 178.612 176.094 0.025 0.000 1.053 296 V CA 2.262 64.576 62.300 0.025 0.000 1.009 296 V CB -0.877 30.969 31.823 0.038 0.000 0.636 296 V HN 0.574 nan 8.190 nan 0.000 0.445 297 D N -0.041 120.374 120.400 0.026 0.000 2.218 297 D HA -0.176 4.464 4.640 0.001 0.000 0.204 297 D C 1.908 178.209 176.300 0.002 0.000 0.976 297 D CA 1.407 55.448 54.000 0.069 0.000 0.853 297 D CB -0.487 40.420 40.800 0.179 0.000 0.939 297 D HN 0.508 nan 8.370 nan 0.000 0.481 298 I N 0.011 120.479 120.570 -0.171 0.000 2.286 298 I HA -0.170 4.000 4.170 0.001 0.000 0.245 298 I C 2.536 178.625 176.117 -0.047 0.000 1.104 298 I CA 0.591 61.708 61.300 -0.306 0.000 1.397 298 I CB -0.125 37.543 38.000 -0.553 0.000 1.072 298 I HN -0.067 nan 8.210 nan 0.000 0.417 299 L N 0.145 121.388 121.223 0.033 0.000 2.109 299 L HA -0.159 4.182 4.340 0.001 0.000 0.207 299 L C 2.425 179.404 176.870 0.182 0.000 1.086 299 L CA 1.103 56.042 54.840 0.165 0.000 0.760 299 L CB -0.322 41.844 42.059 0.180 0.000 0.910 299 L HN 0.241 nan 8.230 nan 0.000 0.437 300 L N -1.094 120.190 121.223 0.102 0.000 2.156 300 L HA -0.132 4.208 4.340 0.001 0.000 0.208 300 L C 2.639 179.538 176.870 0.048 0.000 1.095 300 L CA 0.731 55.610 54.840 0.064 0.000 0.770 300 L CB -0.478 41.610 42.059 0.049 0.000 0.914 300 L HN 0.241 nan 8.230 nan 0.000 0.439 301 E N -0.094 120.151 120.200 0.074 0.000 2.028 301 E HA -0.243 4.107 4.350 0.001 0.000 0.191 301 E C 2.036 178.692 176.600 0.095 0.000 0.988 301 E CA 1.312 57.758 56.400 0.076 0.000 0.799 301 E CB -0.319 29.441 29.700 0.100 0.000 0.755 301 E HN 0.426 nan 8.360 nan 0.000 0.447 302 Y N 1.930 122.249 120.300 0.031 0.000 2.151 302 Y HA -0.302 4.249 4.550 0.000 0.000 0.284 302 Y C 2.470 178.427 175.900 0.095 0.000 1.166 302 Y CA 2.511 60.656 58.100 0.075 0.000 1.163 302 Y CB -0.269 38.246 38.460 0.091 0.000 0.974 302 Y HN -0.062 nan 8.280 nan 0.000 0.511 303 R N 0.502 120.910 120.500 -0.153 0.000 2.075 303 R HA -0.092 4.248 4.340 0.001 0.000 0.232 303 R C 2.201 178.288 176.300 -0.355 0.000 1.126 303 R CA 2.011 57.857 56.100 -0.424 0.000 0.963 303 R CB -0.841 29.280 30.300 -0.298 0.000 0.858 303 R HN 0.413 nan 8.270 nan 0.000 0.435 304 S N 0.030 115.626 115.700 -0.174 0.000 2.335 304 S HA -0.172 4.299 4.470 0.001 0.000 0.216 304 S C 2.012 176.548 174.600 -0.106 0.000 1.032 304 S CA 1.510 59.636 58.200 -0.123 0.000 1.000 304 S CB -0.768 62.398 63.200 -0.057 0.000 0.928 304 S HN 0.615 nan 8.310 nan 0.000 0.434 305 S N 1.182 116.842 115.700 -0.065 0.000 2.423 305 S HA -0.103 4.367 4.470 0.001 0.000 0.231 305 S C 0.637 175.210 174.600 -0.045 0.000 1.014 305 S CA 1.178 59.358 58.200 -0.034 0.000 0.965 305 S CB -0.638 62.565 63.200 0.006 0.000 0.785 305 S HN 0.559 nan 8.310 nan 0.000 0.495 306 E N 0.429 120.566 120.200 -0.106 0.000 3.070 306 E HA -0.143 4.207 4.350 0.001 0.000 0.285 306 E C -0.764 175.825 176.600 -0.018 0.000 0.972 306 E CA 0.633 56.974 56.400 -0.099 0.000 0.915 306 E CB -1.798 27.892 29.700 -0.017 0.000 1.466 306 E HN 0.655 nan 8.360 nan 0.000 0.432 307 N N -0.326 118.400 118.700 0.043 0.000 2.509 307 N HA 0.415 5.156 4.740 0.001 0.000 0.280 307 N C -2.796 172.861 175.510 0.244 0.000 1.306 307 N CA -1.736 51.392 53.050 0.130 0.000 0.782 307 N CB 1.665 40.199 38.487 0.079 0.000 1.493 307 N HN -0.249 nan 8.380 nan 0.000 0.498 308 P HA 0.056 nan 4.420 nan 0.000 0.268 308 P C -0.504 176.872 177.300 0.126 0.000 1.208 308 P CA -0.016 63.190 63.100 0.177 0.000 0.777 308 P CB 0.640 32.409 31.700 0.114 0.000 0.875 309 V N 4.320 124.290 119.914 0.093 0.000 2.427 309 V HA 0.355 4.475 4.120 0.001 0.000 0.286 309 V C 0.565 176.665 176.094 0.010 0.000 1.034 309 V CA -0.377 61.960 62.300 0.061 0.000 0.893 309 V CB 1.173 33.007 31.823 0.019 0.000 0.982 309 V HN 0.429 nan 8.190 nan 0.000 0.452 310 R N 3.885 124.323 120.500 -0.104 0.000 2.295 310 R HA 0.682 5.022 4.340 0.001 0.000 0.324 310 R C -1.508 174.666 176.300 -0.211 0.000 0.968 310 R CA -0.295 55.465 56.100 -0.566 0.000 0.837 310 R CB 1.296 30.871 30.300 -1.209 0.000 1.133 310 R HN 0.675 nan 8.270 nan 0.000 0.450 311 Y N -0.298 120.187 120.300 0.309 0.000 2.715 311 Y HA 0.732 5.282 4.550 0.000 0.000 0.331 311 Y C 0.639 176.585 175.900 0.077 0.000 1.197 311 Y CA -1.073 57.119 58.100 0.153 0.000 1.079 311 Y CB 2.216 40.715 38.460 0.066 0.000 1.298 311 Y HN 0.642 nan 8.280 nan 0.000 0.477 312 G N -0.218 108.580 108.800 -0.004 0.000 2.680 312 G HA2 0.707 4.668 3.960 0.001 0.000 0.290 312 G HA3 0.707 4.668 3.960 0.001 0.000 0.290 312 G C -1.762 172.503 174.900 -1.059 0.000 1.355 312 G CA -0.654 44.148 45.100 -0.497 0.000 0.903 312 G HN 0.461 nan 8.290 nan 0.000 0.474 313 Q N -1.645 117.270 119.800 -1.475 0.000 2.991 313 Q HA 0.278 4.618 4.340 0.001 0.000 0.322 313 Q C 1.741 177.057 176.000 -1.141 0.000 0.978 313 Q CA -0.430 54.525 55.803 -1.413 0.000 0.787 313 Q CB 1.923 29.986 28.738 -1.125 0.000 1.492 313 Q HN 0.816 nan 8.270 nan 0.000 0.498 314 C N -0.694 118.561 119.300 -0.074 0.000 2.398 314 C HA -0.128 4.333 4.460 0.001 0.000 0.276 314 C C 2.112 177.120 174.990 0.029 0.000 1.222 314 C CA 1.354 60.509 59.018 0.228 0.000 1.746 314 C CB -1.634 26.583 27.740 0.794 0.000 2.039 314 C HN 0.980 nan 8.230 nan 0.000 0.470 315 W N 1.779 123.040 121.300 -0.066 0.000 2.465 315 W HA 0.196 4.857 4.660 0.001 0.000 0.268 315 W C 1.741 177.985 176.519 -0.459 0.000 1.242 315 W CA 1.040 58.251 57.345 -0.223 0.000 1.248 315 W CB -0.950 28.375 29.460 -0.225 0.000 1.118 315 W HN 0.178 nan 8.180 nan 0.000 0.587 316 V N 1.090 120.345 119.914 -1.098 0.000 2.346 316 V HA -0.236 3.884 4.120 0.001 0.000 0.244 316 V C 2.291 178.166 176.094 -0.364 0.000 1.037 316 V CA 1.501 63.291 62.300 -0.848 0.000 1.029 316 V CB -1.093 30.220 31.823 -0.851 0.000 0.663 316 V HN 0.044 nan 8.190 nan 0.000 0.454 317 F N 1.389 121.185 119.950 -0.256 0.000 2.126 317 F HA -0.151 4.376 4.527 0.001 0.000 0.299 317 F C 2.517 178.303 175.800 -0.022 0.000 1.096 317 F CA 1.108 59.046 58.000 -0.103 0.000 1.255 317 F CB -1.547 37.432 39.000 -0.035 0.000 0.997 317 F HN 0.127 nan 8.300 nan 0.000 0.479 318 A N 0.185 123.095 122.820 0.149 0.000 1.933 318 A HA -0.017 4.304 4.320 0.001 0.000 0.218 318 A C 2.610 180.216 177.584 0.036 0.000 1.175 318 A CA 1.740 53.855 52.037 0.130 0.000 0.628 318 A CB -1.500 17.540 19.000 0.066 0.000 0.814 318 A HN 0.403 nan 8.150 nan 0.000 0.444 319 G N -0.561 108.111 108.800 -0.213 0.000 2.414 319 G HA2 -0.077 3.883 3.960 0.001 0.000 0.215 319 G HA3 -0.077 3.883 3.960 0.001 0.000 0.215 319 G C 1.497 176.576 174.900 0.299 0.000 1.188 319 G CA 1.161 46.106 45.100 -0.257 0.000 0.783 319 G HN 0.299 nan 8.290 nan 0.000 0.537 320 V N 0.369 120.452 119.914 0.282 0.000 2.407 320 V HA -0.126 3.994 4.120 0.001 0.000 0.248 320 V C 2.364 178.643 176.094 0.307 0.000 1.055 320 V CA 1.602 64.081 62.300 0.299 0.000 1.049 320 V CB -0.576 31.360 31.823 0.189 0.000 0.662 320 V HN 0.324 nan 8.190 nan 0.000 0.455 321 F N 1.492 121.508 119.950 0.111 0.000 2.186 321 F HA -0.086 4.441 4.527 0.001 0.000 0.299 321 F C 2.109 177.999 175.800 0.151 0.000 1.090 321 F CA 1.617 59.681 58.000 0.107 0.000 1.307 321 F CB -0.633 38.397 39.000 0.050 0.000 1.019 321 F HN 0.191 nan 8.300 nan 0.000 0.489 322 N N -0.718 117.960 118.700 -0.036 0.000 2.188 322 N HA -0.153 4.587 4.740 0.001 0.000 0.184 322 N C 1.742 177.118 175.510 -0.223 0.000 1.018 322 N CA 1.976 54.880 53.050 -0.243 0.000 0.858 322 N CB -0.287 37.995 38.487 -0.343 0.000 0.989 322 N HN 0.182 nan 8.380 nan 0.000 0.426 323 T N -0.197 114.364 114.554 0.011 0.000 2.708 323 T HA -0.141 4.209 4.350 0.001 0.000 0.266 323 T C 1.522 176.253 174.700 0.052 0.000 1.037 323 T CA 1.122 63.270 62.100 0.080 0.000 1.146 323 T CB -0.564 68.447 68.868 0.237 0.000 0.865 323 T HN 0.267 nan 8.240 nan 0.000 0.435 324 F N 1.696 121.634 119.950 -0.020 0.000 2.065 324 F HA -0.116 4.411 4.527 0.001 0.000 0.298 324 F C 1.956 177.717 175.800 -0.065 0.000 1.112 324 F CA 1.323 59.325 58.000 0.003 0.000 1.212 324 F CB -0.487 38.556 39.000 0.072 0.000 0.975 324 F HN 0.058 nan 8.300 nan 0.000 0.476 325 L N -0.091 121.060 121.223 -0.121 0.000 1.976 325 L HA -0.214 4.126 4.340 0.001 0.000 0.209 325 L C 2.673 179.465 176.870 -0.129 0.000 1.071 325 L CA 1.690 56.410 54.840 -0.200 0.000 0.746 325 L CB -0.761 41.112 42.059 -0.309 0.000 0.890 325 L HN 0.023 nan 8.230 nan 0.000 0.432 326 R N -0.997 119.425 120.500 -0.129 0.000 2.152 326 R HA -0.182 4.159 4.340 0.001 0.000 0.232 326 R C 2.414 178.692 176.300 -0.036 0.000 1.117 326 R CA 1.422 57.480 56.100 -0.070 0.000 0.981 326 R CB -0.736 29.488 30.300 -0.127 0.000 0.870 326 R HN 0.465 nan 8.270 nan 0.000 0.451 327 C N 0.569 119.821 119.300 -0.080 0.000 2.440 327 C HA 0.035 4.495 4.460 0.001 0.000 0.278 327 C C 2.307 177.355 174.990 0.097 0.000 1.295 327 C CA 0.509 59.526 59.018 -0.002 0.000 1.738 327 C CB -0.765 26.960 27.740 -0.025 0.000 1.987 327 C HN 0.437 nan 8.230 nan 0.000 0.492 328 L N 0.028 121.252 121.223 0.002 0.000 2.341 328 L HA 0.223 4.563 4.340 0.001 0.000 0.214 328 L C 1.972 179.040 176.870 0.330 0.000 1.115 328 L CA 1.298 56.202 54.840 0.107 0.000 0.820 328 L CB -0.421 41.672 42.059 0.057 0.000 0.944 328 L HN 0.581 nan 8.230 nan 0.000 0.452 329 G N 0.206 109.182 108.800 0.293 0.000 2.164 329 G HA2 -0.162 3.799 3.960 0.001 0.000 0.154 329 G HA3 -0.162 3.799 3.960 0.001 0.000 0.154 329 G C 0.077 175.126 174.900 0.249 0.000 1.014 329 G CA -0.667 44.650 45.100 0.362 0.000 0.683 329 G HN 0.149 nan 8.290 nan 0.000 0.500 330 I N 1.945 122.564 120.570 0.082 0.000 2.315 330 I HA 0.271 4.441 4.170 0.001 0.000 0.291 330 I C -2.084 174.030 176.117 -0.006 0.000 1.006 330 I CA -2.210 59.044 61.300 -0.076 0.000 1.265 330 I CB 1.499 39.368 38.000 -0.218 0.000 1.387 330 I HN -0.150 nan 8.210 nan 0.000 0.475 331 P HA 0.130 nan 4.420 nan 0.000 0.265 331 P C -0.765 176.625 177.300 0.151 0.000 1.193 331 P CA 0.139 63.274 63.100 0.058 0.000 0.765 331 P CB 0.779 32.437 31.700 -0.070 0.000 0.823 332 A N 3.191 126.113 122.820 0.170 0.000 2.606 332 A HA 0.848 5.169 4.320 0.001 0.000 0.293 332 A C -1.043 176.540 177.584 -0.002 0.000 1.082 332 A CA -0.674 51.441 52.037 0.130 0.000 0.685 332 A CB 1.740 20.709 19.000 -0.052 0.000 1.284 332 A HN 0.641 nan 8.150 nan 0.000 0.408 333 R N 0.320 120.733 120.500 -0.144 0.000 2.710 333 R HA 0.777 5.118 4.340 0.001 0.000 0.270 333 R C -1.811 174.395 176.300 -0.156 0.000 1.021 333 R CA -0.789 55.196 56.100 -0.192 0.000 0.889 333 R CB 1.111 31.179 30.300 -0.386 0.000 1.243 333 R HN 0.501 nan 8.270 nan 0.000 0.464 334 I N 2.151 122.676 120.570 -0.075 0.000 2.392 334 I HA 0.388 4.559 4.170 0.001 0.000 0.295 334 I C 0.050 176.080 176.117 -0.144 0.000 0.985 334 I CA -1.199 60.061 61.300 -0.067 0.000 1.221 334 I CB 2.027 40.035 38.000 0.013 0.000 1.366 334 I HN 0.525 nan 8.210 nan 0.000 0.467 335 V N 2.011 121.748 119.914 -0.293 0.000 2.715 335 V HA 0.652 4.772 4.120 0.001 0.000 0.310 335 V C -0.325 175.428 176.094 -0.568 0.000 1.054 335 V CA -0.192 61.841 62.300 -0.446 0.000 0.928 335 V CB 1.828 33.298 31.823 -0.588 0.000 1.007 335 V HN 0.700 nan 8.190 nan 0.000 0.437 336 T N 4.199 118.466 114.554 -0.478 0.000 2.786 336 T HA 0.433 4.784 4.350 0.001 0.000 0.283 336 T C -0.510 173.815 174.700 -0.626 0.000 0.992 336 T CA -0.122 61.679 62.100 -0.498 0.000 0.954 336 T CB 0.851 69.511 68.868 -0.347 0.000 0.934 336 T HN 0.926 nan 8.240 nan 0.000 0.440 337 N N 2.264 120.580 118.700 -0.639 0.000 2.425 337 N HA 0.303 5.043 4.740 0.001 0.000 0.268 337 N C -1.532 173.809 175.510 -0.283 0.000 0.991 337 N CA -0.491 52.312 53.050 -0.412 0.000 0.931 337 N CB 0.380 38.709 38.487 -0.263 0.000 1.130 337 N HN 0.433 nan 8.380 nan 0.000 0.493 338 Y N 3.672 123.933 120.300 -0.066 0.000 2.313 338 Y HA 0.371 4.921 4.550 0.001 0.000 0.332 338 Y C -0.181 175.682 175.900 -0.061 0.000 1.071 338 Y CA -0.231 57.798 58.100 -0.118 0.000 1.169 338 Y CB 0.400 38.700 38.460 -0.267 0.000 1.192 338 Y HN 0.391 nan 8.280 nan 0.000 0.487 339 F N 1.215 121.292 119.950 0.211 0.000 2.448 339 F HA -0.229 4.298 4.527 0.000 0.000 0.366 339 F C 0.214 176.086 175.800 0.119 0.000 1.110 339 F CA -0.100 57.962 58.000 0.103 0.000 1.228 339 F CB -1.517 37.383 39.000 -0.166 0.000 1.732 339 F HN 0.361 nan 8.300 nan 0.000 0.795 340 S N 1.415 117.325 115.700 0.350 0.000 2.457 340 S HA 0.798 5.268 4.470 0.001 0.000 0.289 340 S C 0.231 174.895 174.600 0.106 0.000 1.163 340 S CA 0.027 58.356 58.200 0.215 0.000 1.078 340 S CB 1.058 64.382 63.200 0.207 0.000 0.987 340 S HN 0.773 nan 8.310 nan 0.000 0.482 341 A N 4.445 127.307 122.820 0.069 0.000 2.923 341 A HA 0.352 4.673 4.320 0.001 0.000 0.306 341 A C -0.198 177.336 177.584 -0.084 0.000 1.542 341 A CA -0.228 51.821 52.037 0.019 0.000 1.225 341 A CB -0.544 18.476 19.000 0.032 0.000 1.147 341 A HN 0.935 nan 8.150 nan 0.000 0.542 342 H N 1.216 120.073 119.070 -0.355 0.000 2.488 342 H HA 0.319 4.875 4.556 0.001 0.000 0.347 342 H C 0.134 175.331 175.328 -0.219 0.000 1.174 342 H CA 0.286 56.044 56.048 -0.483 0.000 1.307 342 H CB 0.670 29.708 29.762 -1.208 0.000 1.517 342 H HN 0.722 nan 8.280 nan 0.000 0.554 343 D N 1.714 121.770 120.400 -0.572 0.000 2.800 343 D HA -0.224 4.416 4.640 0.001 0.000 0.232 343 D C 0.394 176.622 176.300 -0.120 0.000 1.137 343 D CA 1.035 54.871 54.000 -0.273 0.000 0.718 343 D CB -1.490 39.243 40.800 -0.113 0.000 1.084 343 D HN 0.799 nan 8.370 nan 0.000 0.432 344 N N 0.609 119.250 118.700 -0.099 0.000 2.354 344 N HA -0.064 4.677 4.740 0.001 0.000 0.179 344 N C 0.690 176.222 175.510 0.038 0.000 1.021 344 N CA 1.093 54.132 53.050 -0.018 0.000 0.887 344 N CB 0.143 38.620 38.487 -0.017 0.000 0.974 344 N HN 0.142 nan 8.380 nan 0.000 0.437 345 D N -1.626 118.851 120.400 0.130 0.000 2.945 345 D HA -0.250 4.391 4.640 0.001 0.000 0.225 345 D C 0.478 176.850 176.300 0.120 0.000 1.158 345 D CA 1.177 55.301 54.000 0.208 0.000 0.805 345 D CB -1.388 39.464 40.800 0.088 0.000 1.098 345 D HN 0.705 nan 8.370 nan 0.000 0.426 346 A N -2.029 120.778 122.820 -0.020 0.000 3.396 346 A HA -0.326 3.995 4.320 0.001 0.000 0.267 346 A C 0.517 178.047 177.584 -0.091 0.000 1.139 346 A CA 1.168 53.055 52.037 -0.250 0.000 1.115 346 A CB -1.652 17.074 19.000 -0.456 0.000 1.133 346 A HN 0.494 nan 8.150 nan 0.000 0.920 347 N N -0.115 118.568 118.700 -0.029 0.000 2.497 347 N HA 0.469 5.209 4.740 0.001 0.000 0.271 347 N C 0.605 176.116 175.510 0.001 0.000 1.142 347 N CA 0.087 53.130 53.050 -0.012 0.000 0.965 347 N CB 0.786 39.270 38.487 -0.005 0.000 1.077 347 N HN 0.468 nan 8.380 nan 0.000 0.462 348 L N 1.575 122.806 121.223 0.013 0.000 2.728 348 L HA 0.179 4.519 4.340 0.001 0.000 0.235 348 L C 0.125 176.999 176.870 0.008 0.000 1.197 348 L CA 0.272 55.130 54.840 0.030 0.000 0.992 348 L CB -0.151 41.948 42.059 0.067 0.000 1.263 348 L HN 0.296 nan 8.230 nan 0.000 0.484 349 Q N 1.357 121.150 119.800 -0.012 0.000 2.275 349 Q HA 0.442 4.783 4.340 0.001 0.000 0.266 349 Q C -1.061 174.902 176.000 -0.060 0.000 1.002 349 Q CA -0.411 55.369 55.803 -0.038 0.000 0.761 349 Q CB 3.056 31.770 28.738 -0.041 0.000 1.255 349 Q HN 0.058 nan 8.270 nan 0.000 0.446 350 M N 2.689 122.238 119.600 -0.086 0.000 2.205 350 M HA 0.364 4.844 4.480 0.001 0.000 0.344 350 M C -1.505 174.662 176.300 -0.221 0.000 1.085 350 M CA -0.112 55.124 55.300 -0.107 0.000 1.001 350 M CB 1.038 33.601 32.600 -0.061 0.000 1.626 350 M HN 0.310 nan 8.290 nan 0.000 0.442 351 D N 5.282 125.522 120.400 -0.267 0.000 2.210 351 D HA 0.504 5.144 4.640 0.001 0.000 0.249 351 D C -0.961 175.009 176.300 -0.551 0.000 1.078 351 D CA 0.265 53.959 54.000 -0.511 0.000 0.875 351 D CB 1.232 41.603 40.800 -0.715 0.000 1.175 351 D HN 0.530 nan 8.370 nan 0.000 0.440 352 I N 2.143 122.290 120.570 -0.706 0.000 2.439 352 I HA 0.248 4.418 4.170 0.001 0.000 0.285 352 I C -0.790 175.001 176.117 -0.543 0.000 1.021 352 I CA -0.544 60.459 61.300 -0.494 0.000 1.091 352 I CB 1.007 38.714 38.000 -0.489 0.000 1.242 352 I HN 0.108 nan 8.210 nan 0.000 0.439 353 F N 6.523 126.388 119.950 -0.140 0.000 2.410 353 F HA 0.547 5.075 4.527 0.001 0.000 0.349 353 F C -0.149 175.583 175.800 -0.113 0.000 1.117 353 F CA -0.623 57.296 58.000 -0.134 0.000 1.104 353 F CB 0.849 39.757 39.000 -0.154 0.000 1.122 353 F HN 0.129 nan 8.300 nan 0.000 0.483 354 L N 2.934 124.203 121.223 0.077 0.000 2.334 354 L HA 0.420 4.760 4.340 0.001 0.000 0.272 354 L C 0.216 177.092 176.870 0.010 0.000 1.020 354 L CA -0.968 53.878 54.840 0.009 0.000 0.812 354 L CB 1.281 43.352 42.059 0.020 0.000 1.264 354 L HN 0.562 nan 8.230 nan 0.000 0.439 355 E N 1.203 121.373 120.200 -0.049 0.000 2.312 355 E HA 0.154 4.504 4.350 0.001 0.000 0.259 355 E C 0.330 176.909 176.600 -0.034 0.000 1.122 355 E CA -0.491 55.880 56.400 -0.048 0.000 0.922 355 E CB 0.798 30.437 29.700 -0.101 0.000 1.109 355 E HN 0.519 nan 8.360 nan 0.000 0.442 356 E N 0.937 121.125 120.200 -0.019 0.000 2.160 356 E HA -0.219 4.131 4.350 0.001 0.000 0.195 356 E C 1.171 177.770 176.600 -0.002 0.000 0.991 356 E CA 1.444 57.843 56.400 -0.002 0.000 0.810 356 E CB -0.027 29.674 29.700 0.002 0.000 0.742 356 E HN 0.464 nan 8.360 nan 0.000 0.466 357 D N -1.003 119.382 120.400 -0.025 0.000 2.355 357 D HA -0.019 4.622 4.640 0.001 0.000 0.218 357 D C 1.353 177.692 176.300 0.066 0.000 1.004 357 D CA 0.964 54.972 54.000 0.014 0.000 0.880 357 D CB 0.387 41.189 40.800 0.003 0.000 0.911 357 D HN 0.252 nan 8.370 nan 0.000 0.528 358 G N -0.185 108.602 108.800 -0.022 0.000 2.253 358 G HA2 -0.263 3.698 3.960 0.001 0.000 0.209 358 G HA3 -0.263 3.698 3.960 0.001 0.000 0.209 358 G C 0.154 174.965 174.900 -0.147 0.000 0.997 358 G CA -0.149 44.971 45.100 0.033 0.000 0.640 358 G HN 0.492 nan 8.290 nan 0.000 0.496 359 N N -0.138 118.250 118.700 -0.519 0.000 2.381 359 N HA 0.377 5.118 4.740 0.001 0.000 0.241 359 N C 0.418 175.756 175.510 -0.286 0.000 1.279 359 N CA 0.183 52.891 53.050 -0.571 0.000 0.896 359 N CB 0.924 39.020 38.487 -0.651 0.000 1.118 359 N HN 0.098 nan 8.380 nan 0.000 0.438 360 V N 2.136 121.880 119.914 -0.284 0.000 2.583 360 V HA 0.039 4.160 4.120 0.001 0.000 0.287 360 V C 0.296 176.263 176.094 -0.211 0.000 1.051 360 V CA -0.345 61.773 62.300 -0.302 0.000 1.010 360 V CB 1.111 32.561 31.823 -0.621 0.000 0.988 360 V HN 0.632 nan 8.190 nan 0.000 0.478 361 N N 2.866 121.489 118.700 -0.129 0.000 2.500 361 N HA 0.093 4.833 4.740 0.001 0.000 0.236 361 N C 1.030 176.513 175.510 -0.045 0.000 1.022 361 N CA 0.167 53.177 53.050 -0.068 0.000 0.935 361 N CB 1.412 39.891 38.487 -0.014 0.000 1.147 361 N HN 0.713 nan 8.380 nan 0.000 0.512 362 S N 2.653 118.321 115.700 -0.054 0.000 2.522 362 S HA -0.026 4.444 4.470 0.001 0.000 0.227 362 S C 1.537 176.136 174.600 -0.002 0.000 0.986 362 S CA 0.412 58.601 58.200 -0.017 0.000 0.929 362 S CB 0.182 63.378 63.200 -0.007 0.000 0.769 362 S HN 0.596 nan 8.310 nan 0.000 0.529 363 K N 1.091 121.478 120.400 -0.022 0.000 2.137 363 K HA 0.255 4.575 4.320 0.001 0.000 0.202 363 K C 1.824 178.396 176.600 -0.046 0.000 1.052 363 K CA 0.613 56.881 56.287 -0.031 0.000 0.961 363 K CB -0.133 32.340 32.500 -0.045 0.000 0.741 363 K HN 0.350 nan 8.250 nan 0.000 0.452 364 L N 0.483 121.666 121.223 -0.067 0.000 2.270 364 L HA 0.015 4.355 4.340 0.001 0.000 0.210 364 L C 0.416 177.365 176.870 0.131 0.000 1.104 364 L CA 0.512 55.255 54.840 -0.162 0.000 0.804 364 L CB 0.118 41.877 42.059 -0.500 0.000 0.937 364 L HN 0.030 nan 8.230 nan 0.000 0.450 365 T N 1.504 116.186 114.554 0.212 0.000 2.987 365 T HA 0.110 4.460 4.350 0.001 0.000 0.288 365 T C 0.901 175.677 174.700 0.127 0.000 0.981 365 T CA -0.204 62.033 62.100 0.230 0.000 1.031 365 T CB 0.339 69.280 68.868 0.121 0.000 0.976 365 T HN 0.043 nan 8.240 nan 0.000 0.612 366 K N 0.958 121.431 120.400 0.122 0.000 2.355 366 K HA 0.175 4.495 4.320 0.001 0.000 0.198 366 K C 0.011 176.641 176.600 0.050 0.000 1.039 366 K CA -0.044 56.282 56.287 0.064 0.000 1.075 366 K CB 0.594 33.118 32.500 0.039 0.000 0.870 366 K HN 0.420 nan 8.250 nan 0.000 0.540 367 D N 1.394 121.830 120.400 0.060 0.000 2.255 367 D HA 0.225 4.865 4.640 0.001 0.000 0.249 367 D C -0.283 176.042 176.300 0.041 0.000 1.078 367 D CA 0.187 54.212 54.000 0.041 0.000 0.896 367 D CB 1.378 42.192 40.800 0.023 0.000 1.194 367 D HN -0.180 nan 8.370 nan 0.000 0.429 368 S N 0.290 116.021 115.700 0.052 0.000 2.542 368 S HA 0.513 4.983 4.470 0.001 0.000 0.293 368 S C -0.316 174.365 174.600 0.135 0.000 1.089 368 S CA -0.865 57.362 58.200 0.045 0.000 0.961 368 S CB 1.968 65.163 63.200 -0.008 0.000 1.062 368 S HN 0.152 nan 8.310 nan 0.000 0.483 369 V N 2.211 122.205 119.914 0.134 0.000 2.439 369 V HA 0.351 4.472 4.120 0.001 0.000 0.282 369 V C -0.830 175.494 176.094 0.383 0.000 1.039 369 V CA -0.704 61.760 62.300 0.272 0.000 0.913 369 V CB 0.615 32.587 31.823 0.248 0.000 0.983 369 V HN 0.836 nan 8.190 nan 0.000 0.460 370 W N 3.339 124.701 121.300 0.103 0.000 2.238 370 W HA 0.357 5.017 4.660 0.000 0.000 0.321 370 W C 1.374 178.018 176.519 0.207 0.000 1.293 370 W CA -0.847 56.532 57.345 0.058 0.000 1.204 370 W CB -0.305 29.138 29.460 -0.029 0.000 1.167 370 W HN 0.530 nan 8.180 nan 0.000 0.553 371 N N 1.341 120.265 118.700 0.372 0.000 2.094 371 N HA -0.182 4.558 4.740 0.001 0.000 0.191 371 N C -0.153 175.564 175.510 0.344 0.000 1.023 371 N CA 1.588 54.845 53.050 0.346 0.000 0.857 371 N CB -0.341 38.366 38.487 0.367 0.000 1.013 371 N HN 0.543 nan 8.380 nan 0.000 0.426 372 Y N -3.188 117.311 120.300 0.332 0.000 2.638 372 Y HA 0.629 5.180 4.550 0.001 0.000 0.335 372 Y C -1.215 174.998 175.900 0.522 0.000 1.155 372 Y CA -1.454 56.719 58.100 0.121 0.000 1.046 372 Y CB 0.938 39.251 38.460 -0.245 0.000 1.303 372 Y HN -0.007 nan 8.280 nan 0.000 0.460 373 H N 0.354 119.562 119.070 0.231 0.000 3.026 373 H HA 0.690 5.246 4.556 0.001 0.000 0.352 373 H C -1.856 173.566 175.328 0.157 0.000 1.090 373 H CA -1.135 55.084 56.048 0.285 0.000 1.268 373 H CB 1.597 31.393 29.762 0.057 0.000 1.816 373 H HN 1.127 nan 8.280 nan 0.000 0.518 374 C N 4.865 124.071 119.300 -0.157 0.000 2.358 374 C HA 0.723 5.183 4.460 0.001 0.000 0.342 374 C C -0.637 174.233 174.990 -0.200 0.000 1.234 374 C CA -0.414 58.474 59.018 -0.217 0.000 1.969 374 C CB -1.112 26.664 27.740 0.059 0.000 2.346 374 C HN 0.871 nan 8.230 nan 0.000 0.525 375 W N 1.681 122.871 121.300 -0.184 0.000 3.018 375 W HA 0.696 5.357 4.660 0.001 0.000 0.382 375 W C -1.345 175.188 176.519 0.023 0.000 1.161 375 W CA -0.745 56.559 57.345 -0.068 0.000 1.144 375 W CB 0.195 29.623 29.460 -0.053 0.000 1.499 375 W HN 0.472 nan 8.180 nan 0.000 0.596 376 N N 0.121 119.080 118.700 0.432 0.000 2.402 376 N HA 0.518 5.258 4.740 0.001 0.000 0.294 376 N C -1.566 174.150 175.510 0.344 0.000 1.203 376 N CA -1.003 52.217 53.050 0.282 0.000 0.838 376 N CB 1.920 40.608 38.487 0.335 0.000 1.306 376 N HN 0.450 nan 8.380 nan 0.000 0.510 377 E N -0.005 120.301 120.200 0.177 0.000 2.234 377 E HA 0.707 5.058 4.350 0.001 0.000 0.266 377 E C -1.380 175.439 176.600 0.365 0.000 0.877 377 E CA -0.975 55.579 56.400 0.258 0.000 0.758 377 E CB 2.061 31.733 29.700 -0.047 0.000 1.170 377 E HN 0.573 nan 8.360 nan 0.000 0.415 378 A N 3.338 126.426 122.820 0.447 0.000 2.355 378 A HA 0.422 4.743 4.320 0.001 0.000 0.317 378 A C -1.546 176.217 177.584 0.298 0.000 1.094 378 A CA -0.672 51.559 52.037 0.323 0.000 0.764 378 A CB 1.073 20.169 19.000 0.159 0.000 1.230 378 A HN 0.698 nan 8.150 nan 0.000 0.448 379 W N 5.597 126.802 121.300 -0.158 0.000 2.361 379 W HA 0.631 5.291 4.660 0.001 0.000 0.309 379 W C -0.989 175.346 176.519 -0.306 0.000 1.122 379 W CA -0.303 56.748 57.345 -0.490 0.000 1.208 379 W CB 1.286 30.184 29.460 -0.937 0.000 1.246 379 W HN 0.875 nan 8.180 nan 0.000 0.490 380 M N 3.900 123.111 119.600 -0.648 0.000 2.790 380 M HA 0.280 4.761 4.480 0.001 0.000 0.272 380 M C -0.850 175.168 176.300 -0.471 0.000 1.168 380 M CA -0.626 54.420 55.300 -0.423 0.000 0.829 380 M CB 1.499 33.969 32.600 -0.217 0.000 1.675 380 M HN 0.230 nan 8.290 nan 0.000 0.505 381 T N -0.222 114.160 114.554 -0.286 0.000 2.828 381 T HA 0.559 4.910 4.350 0.001 0.000 0.290 381 T C 0.020 174.623 174.700 -0.163 0.000 1.019 381 T CA -0.672 61.290 62.100 -0.231 0.000 1.031 381 T CB 0.847 69.638 68.868 -0.128 0.000 1.001 381 T HN 0.678 nan 8.240 nan 0.000 0.531 382 R N 2.087 122.505 120.500 -0.136 0.000 2.494 382 R HA 0.267 4.607 4.340 0.001 0.000 0.284 382 R C -2.342 173.905 176.300 -0.088 0.000 1.525 382 R CA -1.922 54.125 56.100 -0.088 0.000 1.460 382 R CB 0.995 31.252 30.300 -0.071 0.000 1.134 382 R HN 0.537 nan 8.270 nan 0.000 0.592 383 P HA -0.107 nan 4.420 nan 0.000 0.223 383 P C 0.718 177.975 177.300 -0.073 0.000 1.151 383 P CA 0.922 63.983 63.100 -0.065 0.000 0.787 383 P CB 0.345 32.024 31.700 -0.036 0.000 0.788 384 D N -1.276 119.080 120.400 -0.073 0.000 2.347 384 D HA -0.036 4.605 4.640 0.001 0.000 0.213 384 D C 0.638 176.839 176.300 -0.166 0.000 0.985 384 D CA 0.574 54.520 54.000 -0.090 0.000 0.879 384 D CB -0.191 40.571 40.800 -0.064 0.000 0.919 384 D HN 0.202 nan 8.370 nan 0.000 0.526 385 L N -0.075 121.029 121.223 -0.198 0.000 2.313 385 L HA 0.459 4.799 4.340 0.001 0.000 0.268 385 L C -2.260 174.453 176.870 -0.262 0.000 1.010 385 L CA -2.328 52.306 54.840 -0.343 0.000 0.814 385 L CB 1.603 43.498 42.059 -0.274 0.000 1.304 385 L HN -0.338 nan 8.230 nan 0.000 0.441 386 P HA 0.018 nan 4.420 nan 0.000 0.271 386 P C -0.869 176.272 177.300 -0.266 0.000 1.233 386 P CA -0.419 62.550 63.100 -0.218 0.000 0.789 386 P CB 0.377 31.986 31.700 -0.151 0.000 0.951 387 V N -1.534 118.215 119.914 -0.276 0.000 2.788 387 V HA 0.377 4.498 4.120 0.001 0.000 0.307 387 V C 1.339 177.095 176.094 -0.563 0.000 1.069 387 V CA 0.541 62.651 62.300 -0.316 0.000 1.173 387 V CB -0.560 31.134 31.823 -0.216 0.000 0.925 387 V HN 0.985 nan 8.190 nan 0.000 0.492 388 G N 2.743 111.249 108.800 -0.490 0.000 2.179 388 G HA2 -0.221 3.740 3.960 0.001 0.000 0.220 388 G HA3 -0.221 3.740 3.960 0.001 0.000 0.220 388 G C -0.115 174.448 174.900 -0.562 0.000 0.990 388 G CA 0.275 45.022 45.100 -0.588 0.000 0.646 388 G HN 0.926 nan 8.290 nan 0.000 0.517 389 F N 2.290 122.116 119.950 -0.207 0.000 2.647 389 F HA 0.533 5.061 4.527 0.001 0.000 0.300 389 F C 1.719 177.384 175.800 -0.225 0.000 1.106 389 F CA -0.630 57.249 58.000 -0.201 0.000 1.313 389 F CB 0.211 39.098 39.000 -0.188 0.000 1.007 389 F HN 0.321 nan 8.300 nan 0.000 0.536 390 G N -0.574 108.139 108.800 -0.145 0.000 2.535 390 G HA2 0.526 4.486 3.960 0.001 0.000 0.282 390 G HA3 0.526 4.486 3.960 0.001 0.000 0.282 390 G C 0.563 175.161 174.900 -0.503 0.000 1.350 390 G CA 0.206 45.121 45.100 -0.309 0.000 1.039 390 G HN 0.617 nan 8.290 nan 0.000 0.509 391 G N -1.617 106.571 108.800 -1.020 0.000 2.475 391 G HA2 -0.169 3.792 3.960 0.001 0.000 0.223 391 G HA3 -0.169 3.792 3.960 0.001 0.000 0.223 391 G C -0.246 173.974 174.900 -1.133 0.000 1.201 391 G CA -0.179 43.853 45.100 -1.780 0.000 0.962 391 G HN 0.804 nan 8.290 nan 0.000 0.586 392 W N 1.983 123.121 121.300 -0.272 0.000 2.251 392 W HA 0.538 5.199 4.660 0.000 0.000 0.327 392 W C 0.602 177.089 176.519 -0.054 0.000 1.361 392 W CA -0.148 57.203 57.345 0.009 0.000 1.234 392 W CB 0.633 30.157 29.460 0.107 0.000 1.212 392 W HN 0.360 nan 8.180 nan 0.000 0.557 393 Q N 2.643 122.615 119.800 0.286 0.000 2.330 393 Q HA 0.527 4.868 4.340 0.001 0.000 0.269 393 Q C -0.369 175.798 176.000 0.279 0.000 1.022 393 Q CA -0.807 55.111 55.803 0.192 0.000 0.796 393 Q CB 1.827 30.641 28.738 0.126 0.000 1.271 393 Q HN 0.540 nan 8.270 nan 0.000 0.450 394 A N 2.292 125.268 122.820 0.261 0.000 2.366 394 A HA 0.598 4.918 4.320 0.001 0.000 0.272 394 A C -0.296 177.419 177.584 0.219 0.000 1.135 394 A CA -0.356 51.880 52.037 0.332 0.000 0.804 394 A CB 0.473 19.675 19.000 0.336 0.000 1.064 394 A HN 0.421 nan 8.150 nan 0.000 0.499 395 V N 2.967 123.046 119.914 0.275 0.000 2.569 395 V HA 0.383 4.503 4.120 0.001 0.000 0.301 395 V C -1.107 175.096 176.094 0.181 0.000 1.044 395 V CA -0.710 61.703 62.300 0.189 0.000 0.874 395 V CB 1.888 33.894 31.823 0.305 0.000 1.002 395 V HN 0.910 nan 8.190 nan 0.000 0.424 396 D N 2.597 123.022 120.400 0.042 0.000 2.440 396 D HA 0.338 4.979 4.640 0.001 0.000 0.239 396 D C 1.025 177.339 176.300 0.023 0.000 1.084 396 D CA -0.150 53.910 54.000 0.099 0.000 0.843 396 D CB 2.155 42.971 40.800 0.026 0.000 1.097 396 D HN 0.543 nan 8.370 nan 0.000 0.531 397 S N 1.390 117.083 115.700 -0.012 0.000 2.603 397 S HA 0.013 4.484 4.470 0.001 0.000 0.220 397 S C 0.722 175.260 174.600 -0.104 0.000 0.967 397 S CA -0.172 57.920 58.200 -0.180 0.000 0.920 397 S CB -0.274 62.708 63.200 -0.363 0.000 0.773 397 S HN 0.374 nan 8.310 nan 0.000 0.529 398 T N 5.974 120.646 114.554 0.195 0.000 2.737 398 T HA 0.340 4.690 4.350 0.001 0.000 0.296 398 T C -2.478 172.379 174.700 0.261 0.000 0.922 398 T CA -1.246 61.084 62.100 0.383 0.000 1.079 398 T CB 0.945 70.164 68.868 0.585 0.000 0.892 398 T HN 0.281 nan 8.240 nan 0.000 0.514 399 P HA 0.149 nan 4.420 nan 0.000 0.272 399 P C -0.693 176.667 177.300 0.100 0.000 1.223 399 P CA -0.340 62.808 63.100 0.080 0.000 0.784 399 P CB 0.666 32.355 31.700 -0.018 0.000 0.923 400 Q N -0.815 118.925 119.800 -0.100 0.000 2.575 400 Q HA 0.349 4.689 4.340 0.001 0.000 0.290 400 Q C -1.102 174.720 176.000 -0.296 0.000 0.963 400 Q CA -0.983 54.667 55.803 -0.254 0.000 0.783 400 Q CB 0.932 29.330 28.738 -0.567 0.000 1.467 400 Q HN 0.178 nan 8.270 nan 0.000 0.402 401 E N 2.384 122.412 120.200 -0.286 0.000 2.292 401 E HA 0.082 4.433 4.350 0.001 0.000 0.265 401 E C -0.656 175.627 176.600 -0.527 0.000 1.093 401 E CA 0.314 56.538 56.400 -0.293 0.000 0.922 401 E CB 0.420 30.017 29.700 -0.172 0.000 1.001 401 E HN 0.623 nan 8.360 nan 0.000 0.444 402 N N -0.023 118.305 118.700 -0.620 0.000 2.938 402 N HA 0.082 4.822 4.740 0.001 0.000 0.335 402 N C 0.809 176.060 175.510 -0.430 0.000 1.358 402 N CA -0.284 52.072 53.050 -1.156 0.000 0.812 402 N CB -0.224 37.727 38.487 -0.894 0.000 1.233 402 N HN 0.082 nan 8.380 nan 0.000 0.593 403 S N -1.979 113.630 115.700 -0.152 0.000 2.442 403 S HA -0.096 4.374 4.470 0.001 0.000 0.236 403 S C 0.361 174.986 174.600 0.041 0.000 1.007 403 S CA 1.117 59.362 58.200 0.076 0.000 0.965 403 S CB -0.407 62.882 63.200 0.149 0.000 0.773 403 S HN 0.550 nan 8.310 nan 0.000 0.504 404 D N 0.953 121.377 120.400 0.039 0.000 2.323 404 D HA 0.454 5.094 4.640 0.001 0.000 0.218 404 D C 1.210 177.636 176.300 0.210 0.000 0.973 404 D CA 1.187 55.256 54.000 0.115 0.000 0.890 404 D CB 0.441 41.281 40.800 0.066 0.000 1.011 404 D HN 0.568 nan 8.370 nan 0.000 0.499 405 G N -0.096 108.798 108.800 0.157 0.000 2.404 405 G HA2 0.189 4.149 3.960 0.001 0.000 0.253 405 G HA3 0.189 4.149 3.960 0.001 0.000 0.253 405 G C -1.531 173.167 174.900 -0.338 0.000 1.253 405 G CA -0.602 44.443 45.100 -0.091 0.000 0.917 405 G HN 0.004 nan 8.290 nan 0.000 0.480 406 M N 1.496 120.726 119.600 -0.618 0.000 2.319 406 M HA 0.746 5.227 4.480 0.001 0.000 0.343 406 M C -1.643 174.215 176.300 -0.737 0.000 1.364 406 M CA -0.707 54.286 55.300 -0.511 0.000 1.292 406 M CB -1.137 31.243 32.600 -0.366 0.000 1.432 406 M HN 0.447 nan 8.290 nan 0.000 0.448 407 Y N 1.737 121.946 120.300 -0.152 0.000 2.689 407 Y HA 0.640 5.190 4.550 0.000 0.000 0.333 407 Y C -0.288 175.516 175.900 -0.158 0.000 1.190 407 Y CA -1.402 56.609 58.100 -0.149 0.000 1.063 407 Y CB 0.913 39.281 38.460 -0.153 0.000 1.294 407 Y HN 0.601 nan 8.280 nan 0.000 0.466 408 R N -0.097 120.423 120.500 0.033 0.000 2.801 408 R HA 0.607 4.947 4.340 0.001 0.000 0.273 408 R C -1.176 175.089 176.300 -0.060 0.000 1.080 408 R CA -0.436 55.633 56.100 -0.052 0.000 1.197 408 R CB -0.301 29.911 30.300 -0.147 0.000 1.109 408 R HN 0.519 nan 8.270 nan 0.000 0.535 409 C N 0.232 119.497 119.300 -0.059 0.000 2.498 409 C HA 0.955 5.415 4.460 0.001 0.000 0.316 409 C C 0.314 175.296 174.990 -0.013 0.000 1.209 409 C CA 0.564 59.561 59.018 -0.035 0.000 1.518 409 C CB 0.798 28.523 27.740 -0.026 0.000 2.147 409 C HN 1.131 nan 8.230 nan 0.000 0.483 410 G N 3.968 112.793 108.800 0.043 0.000 2.408 410 G HA2 0.090 4.050 3.960 0.001 0.000 0.682 410 G HA3 0.090 4.050 3.960 0.001 0.000 0.682 410 G C -3.412 171.477 174.900 -0.018 0.000 1.303 410 G CA -0.947 44.205 45.100 0.087 0.000 0.966 410 G HN 0.508 nan 8.290 nan 0.000 0.560 411 P HA 0.499 nan 4.420 nan 0.000 0.276 411 P C -0.333 177.133 177.300 0.277 0.000 1.230 411 P CA 0.520 63.734 63.100 0.190 0.000 0.776 411 P CB 1.452 33.257 31.700 0.175 0.000 0.888 412 A N 2.709 125.641 122.820 0.187 0.000 2.319 412 A HA 0.414 4.734 4.320 0.001 0.000 0.310 412 A C 0.357 177.993 177.584 0.088 0.000 1.152 412 A CA -0.728 51.393 52.037 0.140 0.000 0.783 412 A CB 0.709 19.782 19.000 0.121 0.000 1.184 412 A HN 0.481 nan 8.150 nan 0.000 0.474 413 S N 2.081 117.800 115.700 0.032 0.000 2.673 413 S HA 0.055 4.525 4.470 0.001 0.000 0.308 413 S C 1.301 175.893 174.600 -0.014 0.000 1.246 413 S CA -0.037 58.161 58.200 -0.003 0.000 1.077 413 S CB 0.019 63.182 63.200 -0.061 0.000 0.814 413 S HN 0.825 nan 8.310 nan 0.000 0.503 414 V N 5.824 125.727 119.914 -0.018 0.000 2.626 414 V HA -0.092 4.028 4.120 0.001 0.000 0.252 414 V C 2.577 178.619 176.094 -0.086 0.000 1.067 414 V CA 1.470 63.680 62.300 -0.150 0.000 1.081 414 V CB -0.547 31.118 31.823 -0.262 0.000 0.686 414 V HN 0.793 nan 8.190 nan 0.000 0.468 415 Q N -0.359 119.455 119.800 0.025 0.000 2.230 415 Q HA -0.031 4.309 4.340 0.001 0.000 0.202 415 Q C 2.396 178.468 176.000 0.120 0.000 0.963 415 Q CA 1.528 57.410 55.803 0.132 0.000 0.866 415 Q CB -0.218 28.657 28.738 0.229 0.000 0.931 415 Q HN 0.661 nan 8.270 nan 0.000 0.452 416 A N 0.449 123.200 122.820 -0.114 0.000 1.929 416 A HA -0.087 4.233 4.320 0.001 0.000 0.216 416 A C 2.085 179.690 177.584 0.034 0.000 1.176 416 A CA 0.668 52.512 52.037 -0.321 0.000 0.628 416 A CB -0.426 18.257 19.000 -0.528 0.000 0.816 416 A HN 0.272 nan 8.150 nan 0.000 0.444 417 I N -0.400 120.233 120.570 0.104 0.000 2.179 417 I HA -0.258 3.912 4.170 0.001 0.000 0.242 417 I C 2.500 178.862 176.117 0.409 0.000 1.088 417 I CA 1.825 63.310 61.300 0.308 0.000 1.357 417 I CB -0.215 37.937 38.000 0.252 0.000 1.051 417 I HN 0.320 nan 8.210 nan 0.000 0.409 418 K N 0.299 120.842 120.400 0.239 0.000 2.103 418 K HA -0.225 4.095 4.320 0.001 0.000 0.207 418 K C 1.546 178.359 176.600 0.356 0.000 1.048 418 K CA 1.724 58.113 56.287 0.170 0.000 0.930 418 K CB -0.063 32.406 32.500 -0.051 0.000 0.716 418 K HN 0.394 nan 8.250 nan 0.000 0.444 419 H N -1.480 117.757 119.070 0.278 0.000 2.529 419 H HA 0.225 4.781 4.556 0.001 0.000 0.277 419 H C 0.764 176.333 175.328 0.401 0.000 1.004 419 H CA 0.519 56.792 56.048 0.375 0.000 1.167 419 H CB 0.858 30.723 29.762 0.172 0.000 1.445 419 H HN 0.484 nan 8.280 nan 0.000 0.554 420 G N 0.765 109.826 108.800 0.435 0.000 2.168 420 G HA2 -0.356 3.605 3.960 0.001 0.000 0.257 420 G HA3 -0.356 3.605 3.960 0.001 0.000 0.257 420 G C -0.176 174.773 174.900 0.080 0.000 0.997 420 G CA 0.242 45.383 45.100 0.068 0.000 0.708 420 G HN 0.484 nan 8.290 nan 0.000 0.520 421 H N 0.078 119.133 119.070 -0.024 0.000 2.966 421 H HA 0.367 4.924 4.556 0.001 0.000 0.217 421 H C 1.956 177.106 175.328 -0.296 0.000 1.906 421 H CA 0.258 56.228 56.048 -0.129 0.000 1.351 421 H CB -0.052 29.651 29.762 -0.098 0.000 1.722 421 H HN 0.509 nan 8.280 nan 0.000 0.562 422 V N -1.786 118.003 119.914 -0.207 0.000 3.510 422 V HA -0.136 3.984 4.120 0.001 0.000 0.270 422 V C 1.910 177.816 176.094 -0.313 0.000 1.201 422 V CA 0.843 62.999 62.300 -0.240 0.000 1.166 422 V CB -1.336 30.321 31.823 -0.277 0.000 0.825 422 V HN 0.678 nan 8.190 nan 0.000 0.484 423 C N -1.573 117.387 119.300 -0.567 0.000 2.448 423 C HA 0.267 4.728 4.460 0.001 0.000 0.280 423 C C 1.107 175.738 174.990 -0.598 0.000 1.398 423 C CA -0.822 57.802 59.018 -0.657 0.000 1.774 423 C CB -1.849 25.233 27.740 -1.096 0.000 1.888 423 C HN 0.387 nan 8.230 nan 0.000 0.519 424 F N 3.503 123.293 119.950 -0.267 0.000 2.456 424 F HA 0.332 4.859 4.527 0.001 0.000 0.358 424 F C 1.076 176.714 175.800 -0.270 0.000 1.095 424 F CA -1.087 56.751 58.000 -0.269 0.000 1.216 424 F CB 0.134 38.957 39.000 -0.296 0.000 1.125 424 F HN 0.400 nan 8.300 nan 0.000 0.549 425 Q N 1.837 121.541 119.800 -0.160 0.000 2.428 425 Q HA 0.294 4.634 4.340 0.001 0.000 0.276 425 Q C -1.606 174.171 176.000 -0.371 0.000 1.059 425 Q CA 0.173 55.698 55.803 -0.463 0.000 0.923 425 Q CB 0.332 28.455 28.738 -1.025 0.000 1.283 425 Q HN 0.442 nan 8.270 nan 0.000 0.447 426 F N 0.285 120.258 119.950 0.038 0.000 2.520 426 F HA 0.253 4.780 4.527 0.000 0.000 0.322 426 F C -0.102 175.738 175.800 0.067 0.000 1.103 426 F CA -1.027 56.998 58.000 0.042 0.000 0.926 426 F CB 1.575 40.587 39.000 0.020 0.000 1.154 426 F HN 0.730 nan 8.300 nan 0.000 0.453 427 D N 0.798 121.370 120.400 0.285 0.000 2.811 427 D HA -0.265 4.375 4.640 0.001 0.000 0.231 427 D C 1.379 177.849 176.300 0.283 0.000 1.157 427 D CA 0.829 55.053 54.000 0.372 0.000 0.716 427 D CB -0.973 40.007 40.800 0.301 0.000 1.077 427 D HN 0.689 nan 8.370 nan 0.000 0.428 428 A N -0.179 122.718 122.820 0.129 0.000 1.972 428 A HA -0.080 4.240 4.320 0.001 0.000 0.219 428 A C -0.105 177.479 177.584 0.000 0.000 1.169 428 A CA 1.359 53.432 52.037 0.060 0.000 0.635 428 A CB -0.785 18.215 19.000 0.001 0.000 0.810 428 A HN 0.296 nan 8.150 nan 0.000 0.446 429 P HA -0.068 nan 4.420 nan 0.000 0.221 429 P C 0.840 177.906 177.300 -0.390 0.000 1.150 429 P CA 0.820 63.711 63.100 -0.350 0.000 0.800 429 P CB -0.137 31.187 31.700 -0.627 0.000 0.787 430 F N -1.230 118.725 119.950 0.009 0.000 2.234 430 F HA -0.089 4.438 4.527 0.001 0.000 0.296 430 F C 2.246 178.011 175.800 -0.059 0.000 1.089 430 F CA 0.864 58.839 58.000 -0.040 0.000 1.343 430 F CB -1.582 37.365 39.000 -0.087 0.000 1.040 430 F HN -0.292 nan 8.300 nan 0.000 0.498 431 V N -0.413 119.547 119.914 0.077 0.000 2.453 431 V HA -0.269 3.851 4.120 0.001 0.000 0.247 431 V C 2.145 178.281 176.094 0.070 0.000 1.048 431 V CA 1.424 63.700 62.300 -0.040 0.000 1.049 431 V CB -0.879 30.905 31.823 -0.064 0.000 0.672 431 V HN 0.294 nan 8.190 nan 0.000 0.457 432 F N 1.773 121.722 119.950 -0.002 0.000 2.126 432 F HA -0.193 4.335 4.527 0.001 0.000 0.299 432 F C 2.272 178.082 175.800 0.016 0.000 1.096 432 F CA 1.630 59.650 58.000 0.033 0.000 1.255 432 F CB -0.310 38.688 39.000 -0.003 0.000 0.997 432 F HN 0.089 nan 8.300 nan 0.000 0.479 433 A N -0.364 122.538 122.820 0.135 0.000 2.066 433 A HA -0.093 4.228 4.320 0.001 0.000 0.218 433 A C 2.109 179.686 177.584 -0.011 0.000 1.157 433 A CA 1.174 53.238 52.037 0.044 0.000 0.670 433 A CB -0.615 18.406 19.000 0.035 0.000 0.804 433 A HN 0.432 nan 8.150 nan 0.000 0.453 434 E N -0.088 120.101 120.200 -0.020 0.000 2.118 434 E HA -0.158 4.193 4.350 0.001 0.000 0.195 434 E C 2.072 178.698 176.600 0.044 0.000 0.992 434 E CA 1.940 58.337 56.400 -0.006 0.000 0.804 434 E CB -0.246 29.417 29.700 -0.062 0.000 0.741 434 E HN 0.670 nan 8.360 nan 0.000 0.458 435 V N -1.892 118.024 119.914 0.002 0.000 3.471 435 V HA 0.176 4.296 4.120 0.001 0.000 0.258 435 V C 1.080 177.123 176.094 -0.084 0.000 1.192 435 V CA 0.520 62.816 62.300 -0.007 0.000 1.116 435 V CB 0.063 31.888 31.823 0.003 0.000 0.792 435 V HN 0.037 nan 8.190 nan 0.000 0.459 436 N N 0.624 119.220 118.700 -0.175 0.000 2.177 436 N HA 0.237 4.977 4.740 0.001 0.000 0.218 436 N C 0.345 175.822 175.510 -0.055 0.000 1.182 436 N CA 0.104 53.042 53.050 -0.187 0.000 0.882 436 N CB 0.890 39.084 38.487 -0.488 0.000 1.052 436 N HN 0.403 nan 8.380 nan 0.000 0.519 437 S N 1.088 116.781 115.700 -0.013 0.000 2.584 437 S HA 0.116 4.587 4.470 0.001 0.000 0.270 437 S C -0.042 174.573 174.600 0.024 0.000 1.346 437 S CA 0.079 58.287 58.200 0.013 0.000 1.018 437 S CB 0.875 64.085 63.200 0.015 0.000 0.899 437 S HN 0.108 nan 8.310 nan 0.000 0.542 438 D N 1.019 121.428 120.400 0.014 0.000 2.248 438 D HA 0.420 5.061 4.640 0.001 0.000 0.246 438 D C -0.438 175.844 176.300 -0.029 0.000 1.027 438 D CA -0.400 53.607 54.000 0.012 0.000 0.853 438 D CB 1.058 41.864 40.800 0.010 0.000 1.243 438 D HN 0.276 nan 8.370 nan 0.000 0.462 439 L N 2.284 123.482 121.223 -0.041 0.000 2.290 439 L HA 0.364 4.705 4.340 0.001 0.000 0.284 439 L C -0.216 176.518 176.870 -0.226 0.000 1.078 439 L CA -0.529 54.209 54.840 -0.171 0.000 0.815 439 L CB 0.770 42.720 42.059 -0.183 0.000 1.162 439 L HN 0.150 nan 8.230 nan 0.000 0.435 440 I N 3.745 124.108 120.570 -0.346 0.000 2.382 440 I HA 0.243 4.413 4.170 0.001 0.000 0.286 440 I C -0.434 175.412 176.117 -0.452 0.000 1.002 440 I CA -0.572 60.566 61.300 -0.270 0.000 1.135 440 I CB 1.182 39.064 38.000 -0.197 0.000 1.288 440 I HN 0.387 nan 8.210 nan 0.000 0.448 441 Y N 6.674 126.900 120.300 -0.122 0.000 2.336 441 Y HA 0.494 5.044 4.550 0.001 0.000 0.335 441 Y C 0.480 176.297 175.900 -0.138 0.000 1.046 441 Y CA -0.026 57.995 58.100 -0.132 0.000 1.198 441 Y CB 1.024 39.441 38.460 -0.071 0.000 1.182 441 Y HN 0.345 nan 8.280 nan 0.000 0.502 442 I N 2.469 122.980 120.570 -0.098 0.000 2.582 442 I HA 0.306 4.476 4.170 0.001 0.000 0.292 442 I C -0.582 175.553 176.117 0.030 0.000 1.066 442 I CA -0.833 60.431 61.300 -0.061 0.000 1.053 442 I CB 2.394 40.284 38.000 -0.183 0.000 1.241 442 I HN 0.432 nan 8.210 nan 0.000 0.421 443 T N 4.336 118.934 114.554 0.075 0.000 2.806 443 T HA 0.551 4.902 4.350 0.001 0.000 0.290 443 T C -0.012 174.787 174.700 0.165 0.000 0.966 443 T CA -0.461 61.697 62.100 0.098 0.000 1.060 443 T CB 1.270 70.183 68.868 0.074 0.000 0.927 443 T HN 0.648 nan 8.240 nan 0.000 0.485 444 A N 4.273 127.195 122.820 0.170 0.000 2.256 444 A HA 0.512 4.832 4.320 0.001 0.000 0.317 444 A C 0.243 177.909 177.584 0.137 0.000 1.318 444 A CA -0.844 51.349 52.037 0.260 0.000 0.894 444 A CB 0.263 19.353 19.000 0.150 0.000 1.165 444 A HN 0.794 nan 8.150 nan 0.000 0.525 445 K N 1.477 121.950 120.400 0.121 0.000 2.107 445 K HA 0.260 4.580 4.320 0.001 0.000 0.251 445 K C 0.513 177.121 176.600 0.013 0.000 1.012 445 K CA -0.660 55.655 56.287 0.047 0.000 0.920 445 K CB 1.254 33.775 32.500 0.035 0.000 1.033 445 K HN 0.584 nan 8.250 nan 0.000 0.478 446 K N 1.222 121.621 120.400 -0.001 0.000 2.362 446 K HA -0.129 4.192 4.320 0.001 0.000 0.200 446 K C 0.786 177.373 176.600 -0.022 0.000 1.046 446 K CA 1.408 57.687 56.287 -0.013 0.000 0.952 446 K CB 0.012 32.504 32.500 -0.013 0.000 0.753 446 K HN 0.620 nan 8.250 nan 0.000 0.466 447 D N -1.069 119.317 120.400 -0.023 0.000 2.340 447 D HA 0.008 4.649 4.640 0.001 0.000 0.220 447 D C 1.145 177.411 176.300 -0.058 0.000 1.039 447 D CA 0.790 54.770 54.000 -0.034 0.000 0.866 447 D CB 0.245 41.029 40.800 -0.027 0.000 0.913 447 D HN 0.234 nan 8.370 nan 0.000 0.523 448 G N 0.128 108.885 108.800 -0.071 0.000 2.299 448 G HA2 -0.309 3.651 3.960 0.001 0.000 0.237 448 G HA3 -0.309 3.651 3.960 0.001 0.000 0.237 448 G C 0.661 175.408 174.900 -0.255 0.000 1.027 448 G CA 0.599 45.620 45.100 -0.132 0.000 0.619 448 G HN 0.820 nan 8.290 nan 0.000 0.513 449 T N -1.435 113.010 114.554 -0.183 0.000 2.788 449 T HA 0.592 4.943 4.350 0.001 0.000 0.287 449 T C -0.011 174.596 174.700 -0.154 0.000 1.007 449 T CA 0.265 62.233 62.100 -0.220 0.000 1.005 449 T CB 1.346 70.163 68.868 -0.086 0.000 1.012 449 T HN 0.531 nan 8.240 nan 0.000 0.530 450 H N -1.273 117.815 119.070 0.030 0.000 2.572 450 H HA 0.646 5.203 4.556 0.000 0.000 0.359 450 H C -0.872 174.487 175.328 0.051 0.000 1.134 450 H CA -1.182 54.901 56.048 0.058 0.000 1.187 450 H CB 2.064 31.883 29.762 0.095 0.000 1.597 450 H HN 0.584 nan 8.280 nan 0.000 0.524 451 V N 4.091 124.118 119.914 0.188 0.000 2.531 451 V HA 0.314 4.434 4.120 0.001 0.000 0.301 451 V C -0.831 175.309 176.094 0.077 0.000 1.034 451 V CA -0.710 61.653 62.300 0.105 0.000 0.865 451 V CB 1.670 33.536 31.823 0.073 0.000 0.995 451 V HN 0.546 nan 8.190 nan 0.000 0.424 452 V N 7.529 127.476 119.914 0.056 0.000 2.405 452 V HA 0.397 4.518 4.120 0.001 0.000 0.264 452 V C 1.059 177.175 176.094 0.037 0.000 1.048 452 V CA 0.255 62.575 62.300 0.034 0.000 0.966 452 V CB 1.029 32.865 31.823 0.022 0.000 1.015 452 V HN 1.066 nan 8.190 nan 0.000 0.477 453 E N 5.201 125.430 120.200 0.047 0.000 2.024 453 E HA 0.071 4.421 4.350 0.001 0.000 0.190 453 E C 0.397 177.025 176.600 0.046 0.000 0.974 453 E CA 0.957 57.384 56.400 0.044 0.000 0.810 453 E CB 0.040 29.770 29.700 0.050 0.000 0.775 453 E HN 0.950 nan 8.360 nan 0.000 0.453 454 N N -0.610 118.144 118.700 0.090 0.000 2.484 454 N HA 0.179 4.919 4.740 0.001 0.000 0.269 454 N C -1.286 174.319 175.510 0.157 0.000 1.237 454 N CA -0.568 52.537 53.050 0.091 0.000 0.838 454 N CB 2.727 41.239 38.487 0.043 0.000 1.593 454 N HN -0.030 nan 8.380 nan 0.000 0.485 455 V N 0.001 119.976 119.914 0.102 0.000 2.357 455 V HA 0.395 4.515 4.120 0.001 0.000 0.284 455 V C -0.966 175.188 176.094 0.100 0.000 1.018 455 V CA -0.449 61.904 62.300 0.088 0.000 0.841 455 V CB 0.957 32.804 31.823 0.040 0.000 0.991 455 V HN 0.801 nan 8.190 nan 0.000 0.437 456 D N 5.662 126.143 120.400 0.135 0.000 2.396 456 D HA 0.518 5.158 4.640 0.001 0.000 0.225 456 D C 0.634 176.986 176.300 0.087 0.000 1.121 456 D CA 0.188 54.259 54.000 0.119 0.000 0.853 456 D CB 1.734 42.639 40.800 0.176 0.000 1.043 456 D HN 0.748 nan 8.370 nan 0.000 0.500 457 A N 2.857 125.721 122.820 0.073 0.000 2.275 457 A HA 0.066 4.386 4.320 0.001 0.000 0.212 457 A C 1.440 179.071 177.584 0.079 0.000 1.201 457 A CA 0.524 52.601 52.037 0.067 0.000 0.843 457 A CB -0.170 18.863 19.000 0.054 0.000 0.873 457 A HN 0.548 nan 8.150 nan 0.000 0.492 458 T N -4.912 109.701 114.554 0.098 0.000 3.134 458 T HA 0.180 4.531 4.350 0.001 0.000 0.260 458 T C 1.155 175.950 174.700 0.158 0.000 1.027 458 T CA 0.499 62.664 62.100 0.108 0.000 0.913 458 T CB -0.303 68.618 68.868 0.087 0.000 1.046 458 T HN 0.451 nan 8.240 nan 0.000 0.553 459 H N 1.188 120.281 119.070 0.039 0.000 2.337 459 H HA 0.467 5.024 4.556 0.000 0.000 0.311 459 H C 0.459 175.864 175.328 0.128 0.000 1.054 459 H CA 0.081 56.137 56.048 0.012 0.000 1.385 459 H CB -0.056 29.634 29.762 -0.120 0.000 1.437 459 H HN 0.325 nan 8.280 nan 0.000 0.553 460 I N 1.144 121.797 120.570 0.139 0.000 2.618 460 I HA 0.084 4.254 4.170 0.001 0.000 0.284 460 I C 1.112 177.302 176.117 0.121 0.000 1.146 460 I CA 0.771 62.156 61.300 0.141 0.000 1.425 460 I CB 0.797 38.871 38.000 0.123 0.000 1.383 460 I HN 0.705 nan 8.210 nan 0.000 0.562 461 G N 4.997 113.882 108.800 0.142 0.000 2.273 461 G HA2 -0.345 3.616 3.960 0.001 0.000 0.280 461 G HA3 -0.345 3.616 3.960 0.001 0.000 0.280 461 G C 0.943 175.888 174.900 0.075 0.000 1.047 461 G CA 0.663 45.816 45.100 0.088 0.000 0.869 461 G HN 0.847 nan 8.290 nan 0.000 0.502 462 K N -0.955 119.511 120.400 0.110 0.000 2.296 462 K HA 0.354 4.674 4.320 0.001 0.000 0.200 462 K C 0.825 177.452 176.600 0.045 0.000 1.048 462 K CA 0.593 56.931 56.287 0.086 0.000 0.966 462 K CB 0.117 32.692 32.500 0.126 0.000 0.754 462 K HN 0.423 nan 8.250 nan 0.000 0.466 463 L N 1.795 123.051 121.223 0.055 0.000 2.562 463 L HA 0.408 4.748 4.340 0.001 0.000 0.266 463 L C -1.780 175.122 176.870 0.053 0.000 0.949 463 L CA -0.600 54.259 54.840 0.031 0.000 0.879 463 L CB 1.833 43.883 42.059 -0.014 0.000 1.278 463 L HN 0.023 nan 8.230 nan 0.000 0.404 464 I N 5.018 125.557 120.570 -0.051 0.000 2.389 464 I HA 0.525 4.695 4.170 0.001 0.000 0.288 464 I C -0.489 175.521 176.117 -0.179 0.000 0.999 464 I CA -0.646 60.550 61.300 -0.174 0.000 1.129 464 I CB 2.143 39.995 38.000 -0.246 0.000 1.288 464 I HN 0.216 nan 8.210 nan 0.000 0.444 465 V N 4.809 124.573 119.914 -0.249 0.000 3.001 465 V HA 0.703 4.824 4.120 0.001 0.000 0.314 465 V C -0.458 175.419 176.094 -0.361 0.000 1.099 465 V CA -0.201 61.900 62.300 -0.331 0.000 0.989 465 V CB 2.747 34.315 31.823 -0.426 0.000 1.040 465 V HN 0.804 nan 8.190 nan 0.000 0.434 466 T N 2.707 117.054 114.554 -0.345 0.000 2.853 466 T HA 0.349 4.699 4.350 0.001 0.000 0.311 466 T C -0.991 173.709 174.700 -0.000 0.000 1.307 466 T CA -0.617 61.403 62.100 -0.134 0.000 1.019 466 T CB 1.588 70.369 68.868 -0.145 0.000 1.264 466 T HN 0.820 nan 8.240 nan 0.000 0.497 467 K N 2.337 122.921 120.400 0.307 0.000 2.414 467 K HA 0.184 4.504 4.320 0.001 0.000 0.272 467 K C 0.423 177.118 176.600 0.159 0.000 0.993 467 K CA -0.153 56.338 56.287 0.341 0.000 0.964 467 K CB 0.416 33.091 32.500 0.291 0.000 0.925 467 K HN 0.686 nan 8.250 nan 0.000 0.487 468 Q N 2.503 122.373 119.800 0.117 0.000 2.368 468 Q HA 0.117 4.458 4.340 0.001 0.000 0.237 468 Q C 0.854 176.861 176.000 0.012 0.000 0.987 468 Q CA -0.248 55.585 55.803 0.050 0.000 0.896 468 Q CB 0.711 29.465 28.738 0.026 0.000 1.241 468 Q HN 0.638 nan 8.270 nan 0.000 0.485 469 I N 1.229 121.776 120.570 -0.038 0.000 2.394 469 I HA -0.180 3.990 4.170 0.001 0.000 0.251 469 I C 1.915 177.984 176.117 -0.081 0.000 1.136 469 I CA 1.464 62.692 61.300 -0.120 0.000 1.425 469 I CB -0.550 37.356 38.000 -0.156 0.000 1.079 469 I HN 1.006 nan 8.210 nan 0.000 0.425 470 G N 0.008 108.779 108.800 -0.049 0.000 2.736 470 G HA2 0.049 4.009 3.960 0.001 0.000 0.214 470 G HA3 0.049 4.009 3.960 0.001 0.000 0.214 470 G C 0.927 175.801 174.900 -0.045 0.000 1.327 470 G CA 0.906 45.978 45.100 -0.046 0.000 0.818 470 G HN 0.493 nan 8.290 nan 0.000 0.611 471 G N -1.381 107.404 108.800 -0.025 0.000 3.340 471 G HA2 0.398 4.358 3.960 0.001 0.000 0.176 471 G HA3 0.398 4.358 3.960 0.001 0.000 0.176 471 G C -0.301 174.611 174.900 0.020 0.000 1.103 471 G CA 0.375 45.463 45.100 -0.020 0.000 0.779 471 G HN 0.081 nan 8.290 nan 0.000 0.673 472 D N 0.725 121.140 120.400 0.024 0.000 2.319 472 D HA 0.243 4.883 4.640 0.001 0.000 0.230 472 D C 1.257 177.615 176.300 0.097 0.000 1.094 472 D CA 0.193 54.216 54.000 0.038 0.000 0.856 472 D CB 0.109 40.910 40.800 0.001 0.000 0.915 472 D HN 0.372 nan 8.370 nan 0.000 0.517 473 G N 0.587 109.448 108.800 0.102 0.000 2.562 473 G HA2 0.461 4.421 3.960 0.001 0.000 0.275 473 G HA3 0.461 4.421 3.960 0.001 0.000 0.275 473 G C 0.198 175.213 174.900 0.192 0.000 1.196 473 G CA -0.672 44.504 45.100 0.127 0.000 0.908 473 G HN 0.136 nan 8.290 nan 0.000 0.524 474 M N -0.209 119.443 119.600 0.086 0.000 2.264 474 M HA 0.644 5.125 4.480 0.001 0.000 0.352 474 M C -0.312 175.890 176.300 -0.163 0.000 1.173 474 M CA -0.476 54.729 55.300 -0.159 0.000 1.075 474 M CB 1.920 34.154 32.600 -0.610 0.000 1.621 474 M HN 0.328 nan 8.290 nan 0.000 0.457 475 M N 3.247 122.735 119.600 -0.187 0.000 2.101 475 M HA 0.272 4.752 4.480 0.001 0.000 0.340 475 M C -1.049 175.153 176.300 -0.163 0.000 1.057 475 M CA -0.397 54.830 55.300 -0.121 0.000 0.984 475 M CB 0.912 33.480 32.600 -0.054 0.000 1.560 475 M HN 0.812 nan 8.290 nan 0.000 0.435 476 D N 5.429 125.755 120.400 -0.124 0.000 2.325 476 D HA 0.191 4.831 4.640 0.001 0.000 0.251 476 D C 0.259 176.522 176.300 -0.062 0.000 1.196 476 D CA -0.036 53.899 54.000 -0.108 0.000 0.866 476 D CB 0.505 41.254 40.800 -0.084 0.000 1.101 476 D HN 0.679 nan 8.370 nan 0.000 0.476 477 I N 0.486 121.022 120.570 -0.057 0.000 3.817 477 I HA 0.175 4.346 4.170 0.001 0.000 0.325 477 I C 0.813 176.964 176.117 0.057 0.000 1.550 477 I CA -0.553 60.747 61.300 -0.000 0.000 1.100 477 I CB 0.395 38.386 38.000 -0.015 0.000 1.216 477 I HN 0.031 nan 8.210 nan 0.000 0.481 478 T N 1.479 116.046 114.554 0.023 0.000 2.803 478 T HA -0.187 4.163 4.350 0.001 0.000 0.269 478 T C 1.649 176.396 174.700 0.078 0.000 1.052 478 T CA 2.152 64.280 62.100 0.047 0.000 1.136 478 T CB -0.394 68.482 68.868 0.013 0.000 0.864 478 T HN 0.695 nan 8.240 nan 0.000 0.467 479 D N 1.819 122.245 120.400 0.044 0.000 2.264 479 D HA -0.123 4.517 4.640 0.001 0.000 0.208 479 D C 2.027 178.313 176.300 -0.023 0.000 0.966 479 D CA 1.545 55.550 54.000 0.008 0.000 0.864 479 D CB -0.543 40.266 40.800 0.015 0.000 0.933 479 D HN 0.544 nan 8.370 nan 0.000 0.499 480 T N -2.675 111.905 114.554 0.043 0.000 2.985 480 T HA -0.099 4.252 4.350 0.001 0.000 0.266 480 T C 1.773 176.442 174.700 -0.052 0.000 1.076 480 T CA 0.517 62.624 62.100 0.013 0.000 1.135 480 T CB -0.637 68.268 68.868 0.061 0.000 0.890 480 T HN 0.118 nan 8.240 nan 0.000 0.480 481 Y N 2.429 122.721 120.300 -0.014 0.000 2.476 481 Y HA 0.353 4.903 4.550 0.000 0.000 0.283 481 Y C 1.048 176.909 175.900 -0.065 0.000 1.109 481 Y CA 0.056 58.161 58.100 0.010 0.000 1.246 481 Y CB 0.450 38.947 38.460 0.062 0.000 1.068 481 Y HN 0.301 nan 8.280 nan 0.000 0.552 482 K N -1.225 119.179 120.400 0.006 0.000 2.551 482 K HA 0.285 4.606 4.320 0.001 0.000 0.269 482 K C -1.425 175.083 176.600 -0.153 0.000 0.949 482 K CA -0.738 55.501 56.287 -0.081 0.000 0.849 482 K CB 1.068 33.580 32.500 0.019 0.000 1.411 482 K HN -0.186 nan 8.250 nan 0.000 0.432 483 F N 1.186 121.163 119.950 0.045 0.000 2.399 483 F HA 0.163 4.691 4.527 0.000 0.000 0.313 483 F C 1.549 177.368 175.800 0.031 0.000 1.202 483 F CA -0.094 57.922 58.000 0.026 0.000 1.192 483 F CB 0.523 39.524 39.000 0.002 0.000 1.256 483 F HN 0.458 nan 8.300 nan 0.000 0.558 484 Q N 0.811 120.763 119.800 0.253 0.000 2.349 484 Q HA -0.032 4.309 4.340 0.001 0.000 0.287 484 Q C -0.805 175.270 176.000 0.126 0.000 1.044 484 Q CA -0.113 55.777 55.803 0.144 0.000 0.918 484 Q CB 0.528 29.336 28.738 0.117 0.000 1.242 484 Q HN 0.494 nan 8.270 nan 0.000 0.405 485 E N 0.987 121.241 120.200 0.090 0.000 2.344 485 E HA 0.301 4.651 4.350 0.001 0.000 0.270 485 E C 0.623 177.260 176.600 0.061 0.000 1.021 485 E CA 1.057 57.503 56.400 0.076 0.000 0.887 485 E CB 0.883 30.621 29.700 0.064 0.000 0.997 485 E HN 0.858 nan 8.360 nan 0.000 0.429 486 G N 2.594 111.427 108.800 0.055 0.000 2.493 486 G HA2 -0.224 3.736 3.960 0.001 0.000 0.206 486 G HA3 -0.224 3.736 3.960 0.001 0.000 0.206 486 G C 0.087 175.004 174.900 0.029 0.000 1.109 486 G CA -0.531 44.593 45.100 0.040 0.000 0.689 486 G HN 0.402 nan 8.290 nan 0.000 0.516 487 Q N 0.952 120.768 119.800 0.027 0.000 2.382 487 Q HA 0.368 4.708 4.340 0.001 0.000 0.229 487 Q C 1.313 177.293 176.000 -0.033 0.000 1.006 487 Q CA -0.363 55.440 55.803 -0.000 0.000 0.916 487 Q CB 0.871 29.608 28.738 -0.001 0.000 1.235 487 Q HN 0.419 nan 8.270 nan 0.000 0.512 488 E N 1.736 121.900 120.200 -0.060 0.000 2.113 488 E HA -0.283 4.068 4.350 0.001 0.000 0.210 488 E C 1.393 177.892 176.600 -0.169 0.000 1.040 488 E CA 2.206 58.552 56.400 -0.090 0.000 0.847 488 E CB 0.244 29.892 29.700 -0.086 0.000 0.755 488 E HN 0.595 nan 8.360 nan 0.000 0.459 489 E N 0.431 120.425 120.200 -0.343 0.000 2.097 489 E HA -0.216 4.134 4.350 0.001 0.000 0.196 489 E C 2.116 178.451 176.600 -0.442 0.000 1.000 489 E CA 1.474 57.438 56.400 -0.725 0.000 0.804 489 E CB -0.241 28.476 29.700 -1.638 0.000 0.740 489 E HN 0.382 nan 8.360 nan 0.000 0.454 490 E N 0.916 121.038 120.200 -0.129 0.000 2.107 490 E HA -0.185 4.165 4.350 0.001 0.000 0.191 490 E C 2.224 178.891 176.600 0.112 0.000 0.982 490 E CA 0.549 57.034 56.400 0.141 0.000 0.809 490 E CB 0.076 29.875 29.700 0.165 0.000 0.756 490 E HN 0.105 nan 8.360 nan 0.000 0.459 491 R N 0.428 120.953 120.500 0.043 0.000 2.090 491 R HA -0.124 4.217 4.340 0.001 0.000 0.228 491 R C 2.556 178.884 176.300 0.047 0.000 1.110 491 R CA 0.833 56.960 56.100 0.046 0.000 0.973 491 R CB -0.229 30.081 30.300 0.017 0.000 0.869 491 R HN 0.225 nan 8.270 nan 0.000 0.440 492 L N 0.880 122.115 121.223 0.021 0.000 1.976 492 L HA -0.071 4.270 4.340 0.001 0.000 0.209 492 L C 2.328 179.257 176.870 0.099 0.000 1.071 492 L CA 2.278 57.138 54.840 0.034 0.000 0.746 492 L CB -0.868 41.191 42.059 -0.001 0.000 0.890 492 L HN 0.178 nan 8.230 nan 0.000 0.432 493 A N -0.429 122.487 122.820 0.161 0.000 1.927 493 A HA -0.243 4.077 4.320 0.001 0.000 0.220 493 A C 2.356 180.092 177.584 0.253 0.000 1.185 493 A CA 2.214 54.423 52.037 0.286 0.000 0.639 493 A CB -1.124 18.134 19.000 0.431 0.000 0.820 493 A HN 0.562 nan 8.150 nan 0.000 0.451 494 L N -0.674 120.698 121.223 0.249 0.000 2.156 494 L HA -0.115 4.225 4.340 0.001 0.000 0.208 494 L C 2.341 179.250 176.870 0.064 0.000 1.095 494 L CA 2.312 57.289 54.840 0.229 0.000 0.770 494 L CB -0.560 41.621 42.059 0.203 0.000 0.914 494 L HN 0.717 nan 8.230 nan 0.000 0.439 495 E N -0.580 119.642 120.200 0.037 0.000 2.028 495 E HA -0.201 4.149 4.350 0.001 0.000 0.191 495 E C 1.848 178.392 176.600 -0.095 0.000 0.988 495 E CA 1.890 58.274 56.400 -0.027 0.000 0.799 495 E CB 0.076 29.765 29.700 -0.017 0.000 0.755 495 E HN 0.372 nan 8.360 nan 0.000 0.447 496 T N 0.862 115.378 114.554 -0.062 0.000 2.684 496 T HA -0.194 4.157 4.350 0.001 0.000 0.267 496 T C 1.865 176.432 174.700 -0.221 0.000 1.036 496 T CA 1.497 63.524 62.100 -0.121 0.000 1.148 496 T CB -0.412 68.478 68.868 0.038 0.000 0.863 496 T HN 0.367 nan 8.240 nan 0.000 0.436 497 A N 1.433 124.115 122.820 -0.231 0.000 1.908 497 A HA -0.040 4.280 4.320 0.001 0.000 0.218 497 A C 2.151 179.547 177.584 -0.314 0.000 1.181 497 A CA 1.175 52.968 52.037 -0.407 0.000 0.627 497 A CB -0.839 17.603 19.000 -0.929 0.000 0.818 497 A HN 0.349 nan 8.150 nan 0.000 0.445 498 L N -0.173 120.909 121.223 -0.234 0.000 2.261 498 L HA -0.148 4.192 4.340 0.001 0.000 0.216 498 L C 2.482 179.205 176.870 -0.245 0.000 1.114 498 L CA 2.236 56.965 54.840 -0.185 0.000 0.777 498 L CB -0.805 41.182 42.059 -0.120 0.000 0.910 498 L HN 0.753 nan 8.230 nan 0.000 0.440 499 M N -4.716 114.648 119.600 -0.393 0.000 2.428 499 M HA 0.112 4.592 4.480 0.001 0.000 0.239 499 M C -0.086 175.809 176.300 -0.675 0.000 1.121 499 M CA 0.639 55.610 55.300 -0.547 0.000 1.019 499 M CB 0.256 32.446 32.600 -0.683 0.000 1.485 499 M HN -0.037 nan 8.290 nan 0.000 0.484 500 Y N 0.626 120.796 120.300 -0.216 0.000 2.666 500 Y HA 0.577 5.127 4.550 0.000 0.000 0.264 500 Y C 1.051 176.801 175.900 -0.249 0.000 1.054 500 Y CA -0.517 57.434 58.100 -0.247 0.000 1.121 500 Y CB 0.733 38.999 38.460 -0.324 0.000 1.190 500 Y HN 0.451 nan 8.280 nan 0.000 0.587 501 G N -0.365 108.370 108.800 -0.108 0.000 2.296 501 G HA2 -0.021 3.940 3.960 0.001 0.000 0.188 501 G HA3 -0.021 3.940 3.960 0.001 0.000 0.188 501 G C 0.282 175.057 174.900 -0.208 0.000 1.000 501 G CA -0.304 44.703 45.100 -0.155 0.000 0.672 501 G HN 0.590 nan 8.290 nan 0.000 0.483 502 A N 0.582 123.277 122.820 -0.207 0.000 2.331 502 A HA 0.755 5.075 4.320 0.001 0.000 0.283 502 A C 0.146 177.665 177.584 -0.108 0.000 1.142 502 A CA 0.101 52.037 52.037 -0.168 0.000 0.812 502 A CB 0.596 19.480 19.000 -0.195 0.000 1.074 502 A HN 0.339 nan 8.150 nan 0.000 0.497 503 K N 1.634 121.993 120.400 -0.069 0.000 2.427 503 K HA 0.437 4.758 4.320 0.001 0.000 0.252 503 K C -1.283 175.306 176.600 -0.019 0.000 0.931 503 K CA -0.553 55.706 56.287 -0.047 0.000 0.793 503 K CB 2.619 35.091 32.500 -0.047 0.000 1.211 503 K HN 0.595 nan 8.250 nan 0.000 0.426 504 K N 3.148 123.538 120.400 -0.016 0.000 2.530 504 K HA 0.195 4.516 4.320 0.001 0.000 0.230 504 K C -1.715 174.879 176.600 -0.009 0.000 1.002 504 K CA -1.785 54.499 56.287 -0.006 0.000 1.014 504 K CB 1.141 33.641 32.500 0.001 0.000 1.286 504 K HN 0.309 nan 8.250 nan 0.000 0.480 505 P HA -0.132 nan 4.420 nan 0.000 0.223 505 P C -0.311 176.992 177.300 0.005 0.000 1.144 505 P CA 0.842 63.942 63.100 -0.000 0.000 0.783 505 P CB 0.449 32.152 31.700 0.006 0.000 0.771 506 L N -0.684 120.541 121.223 0.002 0.000 2.354 506 L HA 0.424 4.764 4.340 0.001 0.000 0.264 506 L C 0.088 176.960 176.870 0.003 0.000 1.008 506 L CA -1.258 53.586 54.840 0.007 0.000 0.819 506 L CB 1.884 43.945 42.059 0.004 0.000 1.339 506 L HN -0.230 nan 8.230 nan 0.000 0.420 507 N N 0.202 118.907 118.700 0.007 0.000 2.456 507 N HA 0.520 5.260 4.740 0.001 0.000 0.288 507 N C -0.579 174.936 175.510 0.009 0.000 1.059 507 N CA -0.292 52.762 53.050 0.006 0.000 0.946 507 N CB 1.542 40.032 38.487 0.006 0.000 1.150 507 N HN 0.694 nan 8.380 nan 0.000 0.479 517 N N 0.044 118.722 118.700 -0.038 0.000 2.780 517 N HA -0.115 4.625 4.740 0.001 0.000 0.248 517 N C -0.939 174.561 175.510 -0.017 0.000 1.102 517 N CA 0.698 53.747 53.050 -0.002 0.000 0.697 517 N CB -1.229 37.289 38.487 0.052 0.000 1.028 517 N HN 0.450 nan 8.380 nan 0.000 0.554 518 V N 0.011 119.884 119.914 -0.067 0.000 2.495 518 V HA 0.400 4.520 4.120 0.001 0.000 0.298 518 V C 0.077 176.144 176.094 -0.046 0.000 1.031 518 V CA -0.601 61.672 62.300 -0.045 0.000 0.871 518 V CB 2.010 33.792 31.823 -0.068 0.000 0.988 518 V HN 0.105 nan 8.190 nan 0.000 0.432 519 D N 3.868 124.237 120.400 -0.051 0.000 2.272 519 D HA 0.637 5.277 4.640 0.001 0.000 0.247 519 D C -0.725 175.524 176.300 -0.085 0.000 0.990 519 D CA -0.345 53.610 54.000 -0.074 0.000 0.931 519 D CB 2.078 42.815 40.800 -0.106 0.000 1.195 519 D HN 0.419 nan 8.370 nan 0.000 0.477 520 M N 2.290 121.821 119.600 -0.115 0.000 2.373 520 M HA 0.269 4.750 4.480 0.001 0.000 0.290 520 M C -2.456 173.769 176.300 -0.125 0.000 1.143 520 M CA -0.410 54.766 55.300 -0.206 0.000 0.949 520 M CB 2.271 34.683 32.600 -0.314 0.000 1.756 520 M HN 0.365 nan 8.290 nan 0.000 0.494 521 D N 3.217 123.562 120.400 -0.092 0.000 2.615 521 D HA 0.805 5.446 4.640 0.001 0.000 0.267 521 D C -1.861 174.512 176.300 0.121 0.000 1.236 521 D CA 0.242 54.249 54.000 0.012 0.000 0.839 521 D CB 1.974 42.760 40.800 -0.024 0.000 1.380 521 D HN 0.493 nan 8.370 nan 0.000 0.433 522 F N -1.015 118.893 119.950 -0.071 0.000 2.668 522 F HA 0.695 5.222 4.527 0.000 0.000 0.309 522 F C -1.044 174.736 175.800 -0.034 0.000 1.117 522 F CA -0.806 57.160 58.000 -0.056 0.000 0.951 522 F CB 1.270 40.233 39.000 -0.063 0.000 1.323 522 F HN 0.098 nan 8.300 nan 0.000 0.451 523 E N 1.243 121.447 120.200 0.007 0.000 2.227 523 E HA 0.710 5.060 4.350 0.001 0.000 0.268 523 E C -1.613 174.979 176.600 -0.015 0.000 0.907 523 E CA -1.312 55.039 56.400 -0.082 0.000 0.786 523 E CB 3.094 32.778 29.700 -0.026 0.000 1.191 523 E HN 0.539 nan 8.360 nan 0.000 0.411 524 V N 2.133 121.995 119.914 -0.087 0.000 2.531 524 V HA 0.144 4.264 4.120 0.001 0.000 0.301 524 V C -0.172 175.876 176.094 -0.077 0.000 1.034 524 V CA -0.827 61.414 62.300 -0.098 0.000 0.865 524 V CB 1.642 33.290 31.823 -0.292 0.000 0.995 524 V HN 0.688 nan 8.190 nan 0.000 0.424 525 E N 4.509 124.707 120.200 -0.003 0.000 2.384 525 E HA 0.091 4.442 4.350 0.001 0.000 0.266 525 E C -0.305 176.233 176.600 -0.103 0.000 1.012 525 E CA -0.433 55.967 56.400 -0.000 0.000 0.901 525 E CB 0.581 30.341 29.700 0.100 0.000 0.967 525 E HN 0.656 nan 8.360 nan 0.000 0.435 526 N N 2.278 120.920 118.700 -0.097 0.000 2.488 526 N HA 0.306 5.046 4.740 0.001 0.000 0.274 526 N C -0.848 174.605 175.510 -0.094 0.000 1.111 526 N CA -0.066 52.900 53.050 -0.139 0.000 0.974 526 N CB 1.647 40.074 38.487 -0.100 0.000 1.089 526 N HN 0.543 nan 8.380 nan 0.000 0.465 527 A N 1.565 124.304 122.820 -0.135 0.000 2.387 527 A HA 0.648 4.968 4.320 0.001 0.000 0.303 527 A C -0.356 177.231 177.584 0.005 0.000 1.145 527 A CA -0.650 51.383 52.037 -0.008 0.000 0.801 527 A CB 1.022 20.079 19.000 0.095 0.000 1.342 527 A HN 0.368 nan 8.150 nan 0.000 0.440 528 V N 1.212 121.166 119.914 0.066 0.000 2.567 528 V HA 0.223 4.343 4.120 0.001 0.000 0.289 528 V C 0.212 176.378 176.094 0.120 0.000 1.049 528 V CA -0.410 61.931 62.300 0.069 0.000 0.969 528 V CB 1.249 33.111 31.823 0.065 0.000 0.995 528 V HN 0.816 nan 8.190 nan 0.000 0.471 529 L N 5.309 126.599 121.223 0.113 0.000 2.628 529 L HA 0.410 4.750 4.340 0.001 0.000 0.274 529 L C 1.100 178.081 176.870 0.186 0.000 1.209 529 L CA 2.021 56.965 54.840 0.172 0.000 0.930 529 L CB -0.181 41.957 42.059 0.132 0.000 1.183 529 L HN 0.990 nan 8.230 nan 0.000 0.492 530 G N 2.832 111.792 108.800 0.267 0.000 2.201 530 G HA2 -0.178 3.782 3.960 0.001 0.000 0.212 530 G HA3 -0.178 3.782 3.960 0.001 0.000 0.212 530 G C 0.222 175.205 174.900 0.137 0.000 0.994 530 G CA 0.058 45.240 45.100 0.136 0.000 0.644 530 G HN 0.600 nan 8.290 nan 0.000 0.508 531 K N 0.765 121.311 120.400 0.243 0.000 2.221 531 K HA 0.563 4.883 4.320 0.001 0.000 0.243 531 K C -0.882 175.913 176.600 0.325 0.000 0.968 531 K CA -0.956 55.459 56.287 0.213 0.000 0.846 531 K CB 1.372 33.976 32.500 0.173 0.000 1.141 531 K HN 0.037 nan 8.250 nan 0.000 0.434 532 D N 0.883 121.410 120.400 0.212 0.000 2.360 532 D HA 0.370 5.010 4.640 0.001 0.000 0.242 532 D C -0.258 176.215 176.300 0.288 0.000 1.184 532 D CA 0.315 54.422 54.000 0.178 0.000 0.930 532 D CB 0.266 41.108 40.800 0.070 0.000 1.161 532 D HN 0.337 nan 8.370 nan 0.000 0.447 533 F N -2.392 117.647 119.950 0.148 0.000 2.713 533 F HA 0.569 5.096 4.527 0.000 0.000 0.311 533 F C -1.022 174.822 175.800 0.074 0.000 1.141 533 F CA -1.161 56.897 58.000 0.097 0.000 0.939 533 F CB 1.256 40.310 39.000 0.091 0.000 1.325 533 F HN -0.112 nan 8.300 nan 0.000 0.453 534 K N 1.628 122.195 120.400 0.278 0.000 2.295 534 K HA 0.753 5.073 4.320 0.001 0.000 0.239 534 K C -1.841 174.870 176.600 0.185 0.000 0.991 534 K CA -1.016 55.347 56.287 0.127 0.000 0.845 534 K CB 2.969 35.506 32.500 0.061 0.000 1.197 534 K HN 0.886 nan 8.250 nan 0.000 0.441 535 L N 0.010 121.278 121.223 0.075 0.000 2.410 535 L HA 0.437 4.777 4.340 0.001 0.000 0.270 535 L C -1.168 175.734 176.870 0.053 0.000 0.983 535 L CA -0.263 54.611 54.840 0.056 0.000 0.822 535 L CB 2.084 44.130 42.059 -0.021 0.000 1.285 535 L HN 0.548 nan 8.230 nan 0.000 0.409 536 S N 5.353 121.111 115.700 0.097 0.000 2.659 536 S HA 0.639 5.109 4.470 0.001 0.000 0.312 536 S C -0.711 173.973 174.600 0.140 0.000 1.114 536 S CA -0.585 57.664 58.200 0.082 0.000 1.063 536 S CB 0.732 63.968 63.200 0.060 0.000 0.996 536 S HN 0.523 nan 8.310 nan 0.000 0.478 537 I N 3.841 124.475 120.570 0.107 0.000 2.359 537 I HA 0.402 4.573 4.170 0.001 0.000 0.294 537 I C 0.431 176.596 176.117 0.079 0.000 0.987 537 I CA -0.488 60.869 61.300 0.094 0.000 1.225 537 I CB 1.906 39.947 38.000 0.069 0.000 1.366 537 I HN 0.535 nan 8.210 nan 0.000 0.466 538 T N 5.506 120.061 114.554 0.002 0.000 2.824 538 T HA 0.628 4.978 4.350 0.001 0.000 0.282 538 T C -1.025 173.609 174.700 -0.110 0.000 0.993 538 T CA -0.397 61.760 62.100 0.095 0.000 0.967 538 T CB 0.632 69.657 68.868 0.262 0.000 0.960 538 T HN 0.230 nan 8.240 nan 0.000 0.441 539 F N 3.096 123.076 119.950 0.050 0.000 2.458 539 F HA 0.652 5.180 4.527 0.001 0.000 0.336 539 F C 0.562 176.265 175.800 -0.163 0.000 1.114 539 F CA -1.023 56.956 58.000 -0.035 0.000 0.987 539 F CB 1.879 40.883 39.000 0.006 0.000 1.130 539 F HN 0.432 nan 8.300 nan 0.000 0.458 540 R N 1.565 122.002 120.500 -0.104 0.000 2.360 540 R HA 0.300 4.641 4.340 0.001 0.000 0.318 540 R C -0.908 175.318 176.300 -0.123 0.000 0.950 540 R CA -0.768 55.139 56.100 -0.322 0.000 0.837 540 R CB 0.881 30.799 30.300 -0.637 0.000 1.165 540 R HN 0.358 nan 8.270 nan 0.000 0.458 541 N N 2.133 120.799 118.700 -0.058 0.000 2.437 541 N HA 0.097 4.837 4.740 0.001 0.000 0.243 541 N C -0.429 175.063 175.510 -0.030 0.000 1.041 541 N CA -0.177 52.882 53.050 0.015 0.000 0.940 541 N CB 0.668 39.199 38.487 0.073 0.000 1.133 541 N HN 0.463 nan 8.380 nan 0.000 0.506 542 N N 0.621 119.302 118.700 -0.032 0.000 2.336 542 N HA -0.030 4.710 4.740 0.001 0.000 0.189 542 N C 0.234 175.704 175.510 -0.066 0.000 1.113 542 N CA 0.052 53.069 53.050 -0.054 0.000 0.858 542 N CB 0.261 38.725 38.487 -0.037 0.000 0.970 542 N HN 0.627 nan 8.380 nan 0.000 0.471 543 S N -0.696 114.990 115.700 -0.023 0.000 2.745 543 S HA 0.281 4.752 4.470 0.001 0.000 0.292 543 S C 0.684 175.174 174.600 -0.182 0.000 1.127 543 S CA -0.511 57.681 58.200 -0.014 0.000 1.007 543 S CB 1.105 64.404 63.200 0.166 0.000 1.165 543 S HN 0.184 nan 8.310 nan 0.000 0.544 544 H N 0.063 119.136 119.070 0.005 0.000 2.586 544 H HA 0.339 4.896 4.556 0.001 0.000 0.273 544 H C -0.280 174.993 175.328 -0.091 0.000 0.997 544 H CA -0.295 55.736 56.048 -0.029 0.000 1.177 544 H CB -0.001 29.750 29.762 -0.017 0.000 1.471 544 H HN 0.455 nan 8.280 nan 0.000 0.538 545 N N 1.869 120.519 118.700 -0.084 0.000 2.509 545 N HA 0.085 4.826 4.740 0.001 0.000 0.287 545 N C 0.344 175.553 175.510 -0.502 0.000 1.121 545 N CA -0.261 52.583 53.050 -0.343 0.000 0.977 545 N CB 2.036 40.161 38.487 -0.603 0.000 1.167 545 N HN 0.187 nan 8.380 nan 0.000 0.476 546 R N 2.140 122.357 120.500 -0.473 0.000 2.346 546 R HA 0.288 4.629 4.340 0.001 0.000 0.311 546 R C -1.325 174.694 176.300 -0.469 0.000 0.983 546 R CA -0.113 55.788 56.100 -0.332 0.000 0.880 546 R CB 0.285 30.486 30.300 -0.166 0.000 1.100 546 R HN 0.465 nan 8.270 nan 0.000 0.453 547 Y N 0.395 120.673 120.300 -0.036 0.000 2.630 547 Y HA 0.428 4.978 4.550 0.001 0.000 0.337 547 Y C 0.127 175.985 175.900 -0.069 0.000 1.051 547 Y CA -0.651 57.421 58.100 -0.046 0.000 1.121 547 Y CB 2.523 40.955 38.460 -0.047 0.000 1.299 547 Y HN 0.455 nan 8.280 nan 0.000 0.498 548 T N 3.087 117.721 114.554 0.133 0.000 2.879 548 T HA 0.669 5.020 4.350 0.001 0.000 0.290 548 T C -0.789 173.891 174.700 -0.034 0.000 0.993 548 T CA -0.469 61.638 62.100 0.012 0.000 0.975 548 T CB 0.469 69.338 68.868 0.002 0.000 0.981 548 T HN 0.340 nan 8.240 nan 0.000 0.439 549 I N 1.782 122.278 120.570 -0.122 0.000 2.846 549 I HA 0.544 4.714 4.170 0.001 0.000 0.307 549 I C -0.155 175.823 176.117 -0.232 0.000 1.053 549 I CA -0.930 60.264 61.300 -0.178 0.000 1.050 549 I CB 2.591 40.432 38.000 -0.265 0.000 1.239 549 I HN 0.445 nan 8.210 nan 0.000 0.439 550 T N 3.515 117.907 114.554 -0.270 0.000 2.864 550 T HA 0.609 4.959 4.350 0.001 0.000 0.299 550 T C -0.363 173.936 174.700 -0.667 0.000 1.011 550 T CA -0.480 61.365 62.100 -0.424 0.000 0.975 550 T CB 1.345 70.025 68.868 -0.313 0.000 0.962 550 T HN 0.662 nan 8.240 nan 0.000 0.448 551 A N 3.270 125.556 122.820 -0.890 0.000 2.295 551 A HA 0.874 5.195 4.320 0.001 0.000 0.318 551 A C -1.406 175.475 177.584 -1.172 0.000 1.134 551 A CA -0.557 50.918 52.037 -0.936 0.000 0.827 551 A CB 0.658 19.066 19.000 -0.988 0.000 1.136 551 A HN 0.762 nan 8.150 nan 0.000 0.493 552 Y N 0.250 120.358 120.300 -0.320 0.000 2.477 552 Y HA 0.586 5.136 4.550 0.001 0.000 0.347 552 Y C -0.331 175.507 175.900 -0.103 0.000 0.981 552 Y CA -0.927 57.068 58.100 -0.175 0.000 1.033 552 Y CB 2.107 40.498 38.460 -0.114 0.000 1.245 552 Y HN 0.558 nan 8.280 nan 0.000 0.455 553 L N 3.013 124.319 121.223 0.138 0.000 2.381 553 L HA 0.657 4.997 4.340 0.001 0.000 0.274 553 L C -1.141 175.796 176.870 0.111 0.000 0.988 553 L CA -0.168 54.733 54.840 0.102 0.000 0.824 553 L CB 1.803 43.926 42.059 0.107 0.000 1.263 553 L HN 0.672 nan 8.230 nan 0.000 0.410 554 S N 4.297 120.075 115.700 0.128 0.000 2.605 554 S HA 0.863 5.334 4.470 0.001 0.000 0.308 554 S C -0.716 173.924 174.600 0.067 0.000 1.113 554 S CA -0.305 57.954 58.200 0.098 0.000 1.049 554 S CB 1.395 64.683 63.200 0.146 0.000 1.001 554 S HN 0.888 nan 8.310 nan 0.000 0.480 555 A N 4.880 127.600 122.820 -0.167 0.000 2.304 555 A HA 0.669 4.990 4.320 0.001 0.000 0.314 555 A C -0.390 176.888 177.584 -0.509 0.000 1.187 555 A CA -0.803 50.935 52.037 -0.499 0.000 0.810 555 A CB 0.490 18.993 19.000 -0.828 0.000 1.183 555 A HN 0.907 nan 8.150 nan 0.000 0.487 556 N N 1.009 119.621 118.700 -0.147 0.000 2.384 556 N HA 0.578 5.318 4.740 0.001 0.000 0.301 556 N C -1.249 174.456 175.510 0.324 0.000 1.133 556 N CA -0.649 52.487 53.050 0.144 0.000 0.853 556 N CB 1.838 40.436 38.487 0.184 0.000 1.241 556 N HN 0.540 nan 8.380 nan 0.000 0.502 557 I N 1.219 122.009 120.570 0.365 0.000 2.365 557 I HA 0.226 4.396 4.170 0.001 0.000 0.291 557 I C 0.562 176.782 176.117 0.172 0.000 1.004 557 I CA 0.227 61.677 61.300 0.249 0.000 1.311 557 I CB 1.199 39.318 38.000 0.198 0.000 1.401 557 I HN 0.609 nan 8.210 nan 0.000 0.491 558 T N 2.628 117.257 114.554 0.126 0.000 2.838 558 T HA 0.561 4.911 4.350 0.001 0.000 0.292 558 T C -0.501 174.271 174.700 0.120 0.000 1.113 558 T CA -0.691 61.484 62.100 0.124 0.000 1.008 558 T CB 0.959 69.874 68.868 0.079 0.000 1.259 558 T HN 0.104 nan 8.240 nan 0.000 0.520 559 F N 1.209 121.142 119.950 -0.029 0.000 2.370 559 F HA 0.412 4.940 4.527 0.001 0.000 0.319 559 F C 1.606 177.364 175.800 -0.069 0.000 1.129 559 F CA -1.010 56.970 58.000 -0.033 0.000 1.109 559 F CB 0.970 39.910 39.000 -0.100 0.000 1.262 559 F HN 0.815 nan 8.300 nan 0.000 0.534 560 Y N -0.566 119.555 120.300 -0.298 0.000 2.403 560 Y HA -0.111 4.439 4.550 0.001 0.000 0.291 560 Y C 1.931 177.674 175.900 -0.262 0.000 1.143 560 Y CA 1.296 59.272 58.100 -0.206 0.000 1.257 560 Y CB -1.909 36.408 38.460 -0.238 0.000 0.984 560 Y HN 0.493 nan 8.280 nan 0.000 0.550 561 T N -3.237 110.729 114.554 -0.979 0.000 3.163 561 T HA 0.296 4.646 4.350 0.001 0.000 0.260 561 T C 1.772 176.072 174.700 -0.666 0.000 1.156 561 T CA 0.642 61.843 62.100 -1.498 0.000 1.072 561 T CB -0.703 67.172 68.868 -1.654 0.000 0.937 561 T HN 0.967 nan 8.240 nan 0.000 0.528 562 G N 0.447 109.082 108.800 -0.275 0.000 2.199 562 G HA2 -0.247 3.714 3.960 0.001 0.000 0.254 562 G HA3 -0.247 3.714 3.960 0.001 0.000 0.254 562 G C 0.105 174.934 174.900 -0.118 0.000 0.982 562 G CA -0.104 44.911 45.100 -0.141 0.000 0.632 562 G HN 0.695 nan 8.290 nan 0.000 0.529 563 V N 4.022 123.867 119.914 -0.115 0.000 2.446 563 V HA 0.365 4.485 4.120 0.001 0.000 0.276 563 V C -1.015 175.089 176.094 0.017 0.000 1.030 563 V CA -0.603 61.657 62.300 -0.066 0.000 1.033 563 V CB 0.997 32.740 31.823 -0.134 0.000 0.993 563 V HN 0.321 nan 8.190 nan 0.000 0.477 564 P HA 0.248 nan 4.420 nan 0.000 0.284 564 P C -0.022 177.328 177.300 0.084 0.000 1.253 564 P CA -0.492 62.657 63.100 0.081 0.000 0.800 564 P CB 1.867 33.630 31.700 0.105 0.000 0.961 565 K N 1.665 122.132 120.400 0.113 0.000 2.262 565 K HA 0.331 4.652 4.320 0.001 0.000 0.200 565 K C 0.159 176.823 176.600 0.106 0.000 1.058 565 K CA 0.373 56.721 56.287 0.100 0.000 0.974 565 K CB 0.532 33.102 32.500 0.117 0.000 0.910 565 K HN 0.616 nan 8.250 nan 0.000 0.484 566 A N 1.005 123.911 122.820 0.143 0.000 2.589 566 A HA 0.295 4.616 4.320 0.001 0.000 0.296 566 A C -1.719 175.979 177.584 0.188 0.000 1.062 566 A CA -0.670 51.456 52.037 0.149 0.000 0.686 566 A CB 1.436 20.527 19.000 0.151 0.000 1.282 566 A HN 0.207 nan 8.150 nan 0.000 0.404 567 E N 1.128 121.413 120.200 0.141 0.000 2.194 567 E HA 0.418 4.768 4.350 0.001 0.000 0.284 567 E C 0.005 176.691 176.600 0.144 0.000 1.035 567 E CA -0.390 56.068 56.400 0.097 0.000 0.836 567 E CB 0.296 30.027 29.700 0.051 0.000 1.070 567 E HN 0.622 nan 8.360 nan 0.000 0.401 568 F N 3.904 123.922 119.950 0.114 0.000 2.746 568 F HA 0.411 4.938 4.527 0.000 0.000 0.297 568 F C 0.136 176.016 175.800 0.134 0.000 1.113 568 F CA -0.463 57.614 58.000 0.129 0.000 1.367 568 F CB 0.472 39.571 39.000 0.166 0.000 1.111 568 F HN 0.137 nan 8.300 nan 0.000 0.590 569 K N 1.233 121.470 120.400 -0.271 0.000 2.561 569 K HA 0.406 4.726 4.320 0.001 0.000 0.254 569 K C -1.994 174.543 176.600 -0.105 0.000 0.942 569 K CA -0.696 55.512 56.287 -0.133 0.000 0.818 569 K CB 1.962 34.381 32.500 -0.134 0.000 1.306 569 K HN 0.029 nan 8.250 nan 0.000 0.435 570 K N 2.556 122.956 120.400 -0.000 0.000 2.468 570 K HA 0.410 4.731 4.320 0.001 0.000 0.252 570 K C -1.710 174.936 176.600 0.078 0.000 0.932 570 K CA -0.385 55.925 56.287 0.039 0.000 0.794 570 K CB 1.843 34.368 32.500 0.041 0.000 1.241 570 K HN 0.581 nan 8.250 nan 0.000 0.428 571 E N 1.613 121.884 120.200 0.119 0.000 2.321 571 E HA 0.319 4.670 4.350 0.001 0.000 0.278 571 E C -1.648 175.069 176.600 0.195 0.000 0.902 571 E CA -0.680 55.815 56.400 0.157 0.000 0.758 571 E CB 2.314 32.116 29.700 0.171 0.000 1.213 571 E HN 0.649 nan 8.360 nan 0.000 0.426 572 T N 2.680 117.338 114.554 0.173 0.000 2.861 572 T HA 0.734 5.085 4.350 0.001 0.000 0.287 572 T C -1.419 173.325 174.700 0.074 0.000 1.003 572 T CA -0.573 61.538 62.100 0.017 0.000 0.977 572 T CB 0.318 69.241 68.868 0.091 0.000 0.996 572 T HN 0.393 nan 8.240 nan 0.000 0.448 573 F N 1.061 120.913 119.950 -0.164 0.000 2.613 573 F HA 0.818 5.346 4.527 0.001 0.000 0.310 573 F C -1.156 174.548 175.800 -0.160 0.000 1.085 573 F CA -1.256 56.673 58.000 -0.118 0.000 0.945 573 F CB 0.980 39.941 39.000 -0.066 0.000 1.298 573 F HN 0.330 nan 8.300 nan 0.000 0.455 574 D N 1.501 121.943 120.400 0.070 0.000 2.192 574 D HA 0.658 5.298 4.640 0.001 0.000 0.246 574 D C -0.962 175.341 176.300 0.005 0.000 1.042 574 D CA -0.262 53.713 54.000 -0.041 0.000 0.847 574 D CB 2.253 43.032 40.800 -0.035 0.000 1.186 574 D HN 0.552 nan 8.370 nan 0.000 0.461 575 V N 1.317 121.165 119.914 -0.110 0.000 2.823 575 V HA 0.584 4.704 4.120 0.001 0.000 0.312 575 V C -0.055 175.950 176.094 -0.147 0.000 1.072 575 V CA -0.794 61.415 62.300 -0.152 0.000 0.937 575 V CB 2.260 33.830 31.823 -0.422 0.000 1.013 575 V HN 0.498 nan 8.190 nan 0.000 0.430 576 T N 4.774 119.266 114.554 -0.104 0.000 2.864 576 T HA 0.507 4.857 4.350 0.001 0.000 0.310 576 T C -0.403 174.259 174.700 -0.063 0.000 1.040 576 T CA -0.202 61.856 62.100 -0.069 0.000 0.977 576 T CB 0.398 69.241 68.868 -0.041 0.000 0.976 576 T HN 0.395 nan 8.240 nan 0.000 0.459 577 L N 3.496 124.687 121.223 -0.052 0.000 2.315 577 L HA 0.383 4.723 4.340 0.001 0.000 0.283 577 L C 0.666 177.534 176.870 -0.003 0.000 1.089 577 L CA -0.602 54.228 54.840 -0.017 0.000 0.833 577 L CB 0.773 42.851 42.059 0.032 0.000 1.170 577 L HN 0.481 nan 8.230 nan 0.000 0.442 578 E N 5.692 125.889 120.200 -0.004 0.000 2.374 578 E HA 0.247 4.597 4.350 0.001 0.000 0.260 578 E C -2.321 174.268 176.600 -0.020 0.000 1.101 578 E CA -1.704 54.686 56.400 -0.017 0.000 0.907 578 E CB 0.644 30.342 29.700 -0.003 0.000 1.014 578 E HN 0.214 nan 8.360 nan 0.000 0.427 579 P HA 0.089 nan 4.420 nan 0.000 0.271 579 P C -0.643 176.620 177.300 -0.061 0.000 1.216 579 P CA 0.187 63.249 63.100 -0.063 0.000 0.771 579 P CB 0.330 31.993 31.700 -0.061 0.000 0.864 580 L N 0.978 122.147 121.223 -0.090 0.000 3.639 580 L HA -0.234 4.107 4.340 0.001 0.000 0.648 580 L C -0.057 176.813 176.870 -0.001 0.000 1.130 580 L CA 0.539 55.331 54.840 -0.080 0.000 1.057 580 L CB -2.113 39.865 42.059 -0.134 0.000 1.428 580 L HN 0.655 nan 8.230 nan 0.000 0.829 581 S N -0.409 115.304 115.700 0.022 0.000 2.615 581 S HA 0.778 5.248 4.470 0.001 0.000 0.268 581 S C -0.916 173.751 174.600 0.111 0.000 1.146 581 S CA -1.125 57.135 58.200 0.099 0.000 0.818 581 S CB 1.776 65.025 63.200 0.081 0.000 1.111 581 S HN 0.134 nan 8.310 nan 0.000 0.465 582 F N 1.003 120.985 119.950 0.052 0.000 2.470 582 F HA 0.845 5.372 4.527 0.001 0.000 0.329 582 F C 0.189 176.043 175.800 0.091 0.000 1.072 582 F CA -0.206 57.842 58.000 0.079 0.000 0.989 582 F CB 2.034 41.069 39.000 0.059 0.000 1.193 582 F HN 0.801 nan 8.300 nan 0.000 0.481 583 K N 2.650 123.251 120.400 0.334 0.000 2.565 583 K HA 0.373 4.694 4.320 0.001 0.000 0.251 583 K C -1.746 175.053 176.600 0.332 0.000 0.956 583 K CA -0.618 55.822 56.287 0.255 0.000 0.809 583 K CB 1.248 33.841 32.500 0.155 0.000 1.267 583 K HN 0.501 nan 8.250 nan 0.000 0.438 584 K N 2.237 122.775 120.400 0.230 0.000 2.221 584 K HA 0.473 4.793 4.320 0.001 0.000 0.243 584 K C -0.778 175.899 176.600 0.128 0.000 0.968 584 K CA -1.153 55.255 56.287 0.203 0.000 0.846 584 K CB 1.707 34.288 32.500 0.135 0.000 1.141 584 K HN 0.413 nan 8.250 nan 0.000 0.434 585 E N 1.100 121.350 120.200 0.083 0.000 2.281 585 E HA 0.336 4.686 4.350 0.001 0.000 0.266 585 E C -1.581 174.953 176.600 -0.111 0.000 0.893 585 E CA -0.493 55.845 56.400 -0.103 0.000 0.798 585 E CB 2.091 31.609 29.700 -0.303 0.000 1.245 585 E HN 0.736 nan 8.360 nan 0.000 0.410 586 A N 2.593 125.346 122.820 -0.111 0.000 2.312 586 A HA 0.739 5.060 4.320 0.001 0.000 0.328 586 A C -0.487 177.030 177.584 -0.111 0.000 1.158 586 A CA -0.521 51.472 52.037 -0.072 0.000 0.821 586 A CB 1.057 20.034 19.000 -0.038 0.000 1.170 586 A HN 0.280 nan 8.150 nan 0.000 0.490 587 V N 2.946 122.813 119.914 -0.077 0.000 2.709 587 V HA 0.400 4.521 4.120 0.001 0.000 0.308 587 V C -0.518 175.538 176.094 -0.064 0.000 1.062 587 V CA -0.619 61.634 62.300 -0.079 0.000 0.901 587 V CB 1.781 33.564 31.823 -0.067 0.000 1.003 587 V HN 0.839 nan 8.190 nan 0.000 0.425 588 L N 5.729 126.911 121.223 -0.068 0.000 2.282 588 L HA 0.600 4.941 4.340 0.001 0.000 0.288 588 L C -1.046 175.750 176.870 -0.123 0.000 1.033 588 L CA -0.410 54.379 54.840 -0.085 0.000 0.807 588 L CB 1.328 43.356 42.059 -0.052 0.000 1.209 588 L HN 0.529 nan 8.230 nan 0.000 0.423 589 I N 4.902 125.306 120.570 -0.276 0.000 2.355 589 I HA 0.311 4.482 4.170 0.001 0.000 0.288 589 I C -0.128 175.846 176.117 -0.237 0.000 0.999 589 I CA -0.485 60.621 61.300 -0.323 0.000 1.163 589 I CB 1.597 39.082 38.000 -0.858 0.000 1.316 589 I HN 0.619 nan 8.210 nan 0.000 0.454 590 Q N 3.191 122.956 119.800 -0.057 0.000 2.230 590 Q HA 0.445 4.786 4.340 0.001 0.000 0.248 590 Q C 1.192 177.168 176.000 -0.039 0.000 0.915 590 Q CA -0.441 55.344 55.803 -0.029 0.000 0.900 590 Q CB 2.217 30.941 28.738 -0.024 0.000 1.229 590 Q HN 0.793 nan 8.270 nan 0.000 0.439 591 A N 2.619 125.390 122.820 -0.082 0.000 1.915 591 A HA -0.251 4.069 4.320 0.001 0.000 0.220 591 A C 1.958 179.201 177.584 -0.568 0.000 1.198 591 A CA 2.272 54.062 52.037 -0.413 0.000 0.647 591 A CB -1.463 17.408 19.000 -0.214 0.000 0.825 591 A HN 1.009 nan 8.150 nan 0.000 0.456 592 G N -0.673 107.976 108.800 -0.253 0.000 2.485 592 G HA2 -0.243 3.718 3.960 0.001 0.000 0.221 592 G HA3 -0.243 3.718 3.960 0.001 0.000 0.221 592 G C 1.299 176.115 174.900 -0.140 0.000 1.115 592 G CA 1.036 46.030 45.100 -0.177 0.000 0.751 592 G HN 0.745 nan 8.290 nan 0.000 0.567 593 E N -0.865 119.285 120.200 -0.084 0.000 2.347 593 E HA -0.056 4.295 4.350 0.001 0.000 0.196 593 E C 1.648 178.311 176.600 0.106 0.000 1.008 593 E CA 1.045 57.507 56.400 0.104 0.000 0.852 593 E CB -0.079 29.785 29.700 0.273 0.000 0.783 593 E HN 0.894 nan 8.360 nan 0.000 0.505 594 Y N -3.771 116.465 120.300 -0.107 0.000 2.476 594 Y HA 0.314 4.864 4.550 0.001 0.000 0.261 594 Y C 1.767 177.573 175.900 -0.157 0.000 1.077 594 Y CA -0.426 57.473 58.100 -0.336 0.000 1.240 594 Y CB -0.103 37.913 38.460 -0.742 0.000 1.317 594 Y HN -0.201 nan 8.280 nan 0.000 0.540 595 M N 1.844 121.171 119.600 -0.455 0.000 2.115 595 M HA -0.089 4.391 4.480 0.001 0.000 0.258 595 M C 2.107 178.384 176.300 -0.038 0.000 1.071 595 M CA 2.090 57.254 55.300 -0.227 0.000 1.100 595 M CB -1.600 30.832 32.600 -0.281 0.000 1.292 595 M HN 0.572 nan 8.290 nan 0.000 0.415 596 G N 0.512 109.291 108.800 -0.035 0.000 2.916 596 G HA2 -0.093 3.867 3.960 0.001 0.000 0.205 596 G HA3 -0.093 3.867 3.960 0.001 0.000 0.205 596 G C 0.891 175.812 174.900 0.036 0.000 1.163 596 G CA 0.371 45.475 45.100 0.008 0.000 0.821 596 G HN 0.779 nan 8.290 nan 0.000 0.515 597 Q N -0.569 119.261 119.800 0.049 0.000 2.084 597 Q HA 0.383 4.723 4.340 0.001 0.000 0.230 597 Q C -0.009 176.036 176.000 0.076 0.000 0.806 597 Q CA -0.432 55.411 55.803 0.067 0.000 1.083 597 Q CB 0.114 28.900 28.738 0.081 0.000 1.208 597 Q HN 0.256 nan 8.270 nan 0.000 0.462 598 L N 1.318 122.587 121.223 0.077 0.000 2.418 598 L HA 0.411 4.751 4.340 0.001 0.000 0.265 598 L C 0.077 176.989 176.870 0.070 0.000 1.143 598 L CA -0.701 54.179 54.840 0.066 0.000 0.809 598 L CB 0.670 42.771 42.059 0.069 0.000 1.124 598 L HN 0.182 nan 8.230 nan 0.000 0.456 599 L N 0.795 122.051 121.223 0.056 0.000 2.387 599 L HA 0.322 4.662 4.340 0.001 0.000 0.266 599 L C 0.366 177.220 176.870 -0.027 0.000 1.059 599 L CA -0.873 54.005 54.840 0.064 0.000 0.801 599 L CB 1.213 43.336 42.059 0.107 0.000 1.223 599 L HN 0.646 nan 8.230 nan 0.000 0.456 600 E N 1.163 121.349 120.200 -0.023 0.000 2.481 600 E HA -0.063 4.287 4.350 0.001 0.000 0.263 600 E C -0.448 176.007 176.600 -0.242 0.000 0.992 600 E CA -0.075 56.290 56.400 -0.057 0.000 0.938 600 E CB 0.367 30.096 29.700 0.048 0.000 0.933 600 E HN 0.642 nan 8.360 nan 0.000 0.453 601 Q N 0.658 120.323 119.800 -0.225 0.000 2.371 601 Q HA -0.276 4.065 4.340 0.001 0.000 0.169 601 Q C 0.309 176.243 176.000 -0.110 0.000 0.577 601 Q CA 0.552 56.170 55.803 -0.308 0.000 1.340 601 Q CB -2.059 26.373 28.738 -0.510 0.000 1.201 601 Q HN 1.309 nan 8.270 nan 0.000 0.984 602 A N 0.464 123.237 122.820 -0.079 0.000 2.415 602 A HA -0.212 4.109 4.320 0.001 0.000 0.292 602 A C 0.269 177.822 177.584 -0.052 0.000 1.452 602 A CA 1.320 53.330 52.037 -0.045 0.000 0.750 602 A CB -1.348 17.643 19.000 -0.015 0.000 1.099 602 A HN 0.466 nan 8.150 nan 0.000 0.391 603 S N -0.386 115.292 115.700 -0.038 0.000 2.586 603 S HA 0.768 5.238 4.470 0.001 0.000 0.274 603 S C -0.164 174.442 174.600 0.010 0.000 1.281 603 S CA -0.525 57.680 58.200 0.009 0.000 1.035 603 S CB 1.293 64.520 63.200 0.046 0.000 0.962 603 S HN 0.598 nan 8.310 nan 0.000 0.512 604 L N 2.089 123.327 121.223 0.025 0.000 2.422 604 L HA 0.518 4.858 4.340 0.001 0.000 0.264 604 L C -0.770 176.032 176.870 -0.113 0.000 0.984 604 L CA -0.419 54.407 54.840 -0.023 0.000 0.819 604 L CB 1.748 43.794 42.059 -0.022 0.000 1.330 604 L HN 0.797 nan 8.230 nan 0.000 0.410 605 H N 1.754 120.592 119.070 -0.388 0.000 2.600 605 H HA 0.740 5.296 4.556 0.001 0.000 0.357 605 H C -1.637 173.307 175.328 -0.640 0.000 1.106 605 H CA -0.460 55.370 56.048 -0.363 0.000 1.193 605 H CB 1.198 30.860 29.762 -0.166 0.000 1.594 605 H HN 0.297 nan 8.280 nan 0.000 0.526 606 F N 4.559 124.245 119.950 -0.440 0.000 2.507 606 F HA 0.423 4.951 4.527 0.001 0.000 0.325 606 F C -1.007 174.598 175.800 -0.326 0.000 1.116 606 F CA -0.686 57.206 58.000 -0.180 0.000 0.930 606 F CB 1.087 40.185 39.000 0.163 0.000 1.146 606 F HN 0.360 nan 8.300 nan 0.000 0.447 607 F N 1.858 121.828 119.950 0.032 0.000 2.508 607 F HA 0.734 5.262 4.527 0.000 0.000 0.325 607 F C -0.486 175.281 175.800 -0.056 0.000 1.090 607 F CA -1.116 56.915 58.000 0.052 0.000 0.945 607 F CB 2.094 41.141 39.000 0.079 0.000 1.156 607 F HN 0.048 nan 8.300 nan 0.000 0.463 608 V N 2.411 122.389 119.914 0.107 0.000 2.462 608 V HA 0.427 4.548 4.120 0.001 0.000 0.288 608 V C -0.685 175.391 176.094 -0.030 0.000 1.020 608 V CA -0.642 61.570 62.300 -0.146 0.000 0.857 608 V CB 1.781 33.205 31.823 -0.664 0.000 1.013 608 V HN 0.848 nan 8.190 nan 0.000 0.431 609 T N 1.967 116.528 114.554 0.010 0.000 2.887 609 T HA 0.963 5.313 4.350 0.001 0.000 0.288 609 T C -0.334 174.376 174.700 0.016 0.000 1.021 609 T CA -0.501 61.603 62.100 0.007 0.000 1.000 609 T CB 2.497 71.390 68.868 0.041 0.000 1.034 609 T HN 1.012 nan 8.240 nan 0.000 0.467 610 A N 1.697 124.510 122.820 -0.012 0.000 2.566 610 A HA 0.915 5.235 4.320 0.001 0.000 0.292 610 A C -0.961 176.613 177.584 -0.017 0.000 1.112 610 A CA -1.087 50.916 52.037 -0.057 0.000 0.707 610 A CB 1.854 20.862 19.000 0.014 0.000 1.302 610 A HN 0.849 nan 8.150 nan 0.000 0.409 611 R N 1.275 121.748 120.500 -0.045 0.000 2.538 611 R HA 0.489 4.829 4.340 0.001 0.000 0.292 611 R C -1.790 174.473 176.300 -0.062 0.000 1.008 611 R CA -0.500 55.585 56.100 -0.024 0.000 0.896 611 R CB 1.062 31.384 30.300 0.037 0.000 1.187 611 R HN 0.727 nan 8.270 nan 0.000 0.440 612 I N 5.373 125.896 120.570 -0.079 0.000 2.322 612 I HA 0.018 4.189 4.170 0.001 0.000 0.292 612 I C 1.272 177.358 176.117 -0.052 0.000 1.060 612 I CA -0.427 60.810 61.300 -0.105 0.000 1.309 612 I CB 0.986 38.843 38.000 -0.238 0.000 1.415 612 I HN 0.533 nan 8.210 nan 0.000 0.492 613 N N 4.722 123.414 118.700 -0.013 0.000 2.061 613 N HA -0.215 4.526 4.740 0.001 0.000 0.193 613 N C 1.419 176.951 175.510 0.037 0.000 1.030 613 N CA 1.616 54.673 53.050 0.013 0.000 0.856 613 N CB -0.010 38.486 38.487 0.015 0.000 1.023 613 N HN 0.553 nan 8.380 nan 0.000 0.424 614 E N -0.644 119.609 120.200 0.088 0.000 2.153 614 E HA -0.086 4.264 4.350 0.001 0.000 0.194 614 E C 1.842 178.497 176.600 0.092 0.000 0.988 614 E CA 1.602 58.076 56.400 0.123 0.000 0.811 614 E CB -0.249 29.609 29.700 0.263 0.000 0.746 614 E HN 0.641 nan 8.360 nan 0.000 0.466 615 T N -3.765 110.815 114.554 0.044 0.000 3.003 615 T HA 0.240 4.590 4.350 0.001 0.000 0.261 615 T C 0.747 175.439 174.700 -0.013 0.000 1.003 615 T CA -0.394 61.712 62.100 0.011 0.000 0.917 615 T CB 0.472 69.315 68.868 -0.041 0.000 1.084 615 T HN -0.104 nan 8.240 nan 0.000 0.522 616 R N 0.539 121.028 120.500 -0.018 0.000 3.994 616 R HA -0.107 4.233 4.340 0.001 0.000 0.403 616 R C -0.966 175.316 176.300 -0.030 0.000 1.126 616 R CA 0.896 56.987 56.100 -0.015 0.000 1.143 616 R CB -2.639 27.661 30.300 0.001 0.000 1.695 616 R HN 0.487 nan 8.270 nan 0.000 0.555 617 D N 0.305 120.668 120.400 -0.062 0.000 2.423 617 D HA 0.214 4.854 4.640 0.001 0.000 0.238 617 D C 0.154 176.413 176.300 -0.067 0.000 1.142 617 D CA 0.274 54.229 54.000 -0.074 0.000 0.884 617 D CB 0.862 41.586 40.800 -0.126 0.000 1.199 617 D HN -0.165 nan 8.370 nan 0.000 0.438 618 V N 3.243 123.123 119.914 -0.057 0.000 2.555 618 V HA 0.406 4.526 4.120 0.001 0.000 0.302 618 V C 0.019 176.058 176.094 -0.091 0.000 1.038 618 V CA -0.725 61.539 62.300 -0.059 0.000 0.887 618 V CB 1.540 33.340 31.823 -0.039 0.000 0.991 618 V HN 0.304 nan 8.190 nan 0.000 0.434 619 L N 4.280 125.443 121.223 -0.099 0.000 2.341 619 L HA 0.945 5.285 4.340 0.001 0.000 0.278 619 L C -0.087 176.669 176.870 -0.190 0.000 1.005 619 L CA -0.425 54.342 54.840 -0.122 0.000 0.818 619 L CB 1.886 43.911 42.059 -0.058 0.000 1.259 619 L HN 0.754 nan 8.230 nan 0.000 0.418 620 A N 3.443 126.080 122.820 -0.306 0.000 2.520 620 A HA 0.924 5.244 4.320 0.001 0.000 0.298 620 A C -1.319 176.077 177.584 -0.312 0.000 1.051 620 A CA -0.685 51.093 52.037 -0.432 0.000 0.690 620 A CB 2.183 20.537 19.000 -1.076 0.000 1.281 620 A HN 0.501 nan 8.150 nan 0.000 0.402 621 K N 0.961 121.326 120.400 -0.057 0.000 2.562 621 K HA 0.423 4.743 4.320 0.001 0.000 0.267 621 K C -1.488 175.291 176.600 0.299 0.000 0.938 621 K CA -0.343 56.013 56.287 0.114 0.000 0.840 621 K CB 2.286 34.909 32.500 0.204 0.000 1.390 621 K HN 0.992 nan 8.250 nan 0.000 0.428 622 Q N 1.144 121.006 119.800 0.103 0.000 2.413 622 Q HA 0.761 5.102 4.340 0.001 0.000 0.276 622 Q C -1.204 174.755 176.000 -0.068 0.000 1.099 622 Q CA -1.180 54.611 55.803 -0.020 0.000 0.814 622 Q CB 2.949 31.539 28.738 -0.247 0.000 1.379 622 Q HN 0.313 nan 8.270 nan 0.000 0.436 623 K N 0.265 120.656 120.400 -0.014 0.000 2.532 623 K HA 0.609 4.929 4.320 0.001 0.000 0.265 623 K C -1.546 175.239 176.600 0.308 0.000 0.948 623 K CA -0.352 56.008 56.287 0.121 0.000 0.842 623 K CB 2.819 35.219 32.500 -0.168 0.000 1.392 623 K HN 0.676 nan 8.250 nan 0.000 0.436 624 S N -0.124 115.847 115.700 0.452 0.000 2.568 624 S HA 0.732 5.203 4.470 0.001 0.000 0.293 624 S C -1.204 173.594 174.600 0.329 0.000 1.089 624 S CA -0.683 57.782 58.200 0.442 0.000 0.945 624 S CB 2.033 65.539 63.200 0.509 0.000 1.077 624 S HN 0.512 nan 8.310 nan 0.000 0.485 625 T N 1.200 115.917 114.554 0.271 0.000 2.900 625 T HA 0.679 5.029 4.350 0.001 0.000 0.303 625 T C -1.555 173.172 174.700 0.045 0.000 1.142 625 T CA -0.532 61.644 62.100 0.127 0.000 1.007 625 T CB 1.155 70.095 68.868 0.120 0.000 1.156 625 T HN 0.568 nan 8.240 nan 0.000 0.490 626 V N 2.032 121.932 119.914 -0.023 0.000 2.735 626 V HA 0.726 4.846 4.120 0.001 0.000 0.310 626 V C -0.570 175.474 176.094 -0.084 0.000 1.061 626 V CA -1.162 61.120 62.300 -0.030 0.000 0.913 626 V CB 1.421 33.251 31.823 0.012 0.000 1.005 626 V HN 0.794 nan 8.190 nan 0.000 0.428 627 L N 2.464 123.633 121.223 -0.090 0.000 2.349 627 L HA 0.425 4.765 4.340 0.001 0.000 0.275 627 L C 0.815 177.678 176.870 -0.013 0.000 1.115 627 L CA 0.165 54.957 54.840 -0.080 0.000 0.820 627 L CB 1.300 43.312 42.059 -0.077 0.000 1.135 627 L HN 0.786 nan 8.230 nan 0.000 0.445 628 T N 4.556 119.107 114.554 -0.006 0.000 2.752 628 T HA 0.354 4.705 4.350 0.001 0.000 0.295 628 T C 0.171 174.902 174.700 0.052 0.000 0.923 628 T CA -0.066 62.045 62.100 0.018 0.000 1.112 628 T CB -0.296 68.573 68.868 0.002 0.000 0.884 628 T HN 0.238 nan 8.240 nan 0.000 0.525 629 I N 5.986 126.601 120.570 0.075 0.000 2.325 629 I HA 0.270 4.440 4.170 0.001 0.000 0.291 629 I C -1.860 174.313 176.117 0.093 0.000 1.019 629 I CA -2.288 59.066 61.300 0.090 0.000 1.302 629 I CB 0.611 38.666 38.000 0.091 0.000 1.401 629 I HN 0.335 nan 8.210 nan 0.000 0.485 630 P HA 0.060 nan 4.420 nan 0.000 0.268 630 P C -0.186 177.203 177.300 0.148 0.000 1.208 630 P CA -0.218 62.948 63.100 0.110 0.000 0.777 630 P CB 0.496 32.251 31.700 0.093 0.000 0.875 631 E N 1.154 121.425 120.200 0.119 0.000 2.410 631 E HA 0.137 4.488 4.350 0.001 0.000 0.255 631 E C 0.359 177.071 176.600 0.187 0.000 1.194 631 E CA 0.009 56.481 56.400 0.119 0.000 0.955 631 E CB 0.533 30.283 29.700 0.084 0.000 0.988 631 E HN 0.348 nan 8.360 nan 0.000 0.461 632 I N 1.269 121.928 120.570 0.149 0.000 2.566 632 I HA 0.205 4.375 4.170 0.001 0.000 0.303 632 I C 0.080 176.276 176.117 0.130 0.000 0.983 632 I CA -0.782 60.635 61.300 0.195 0.000 1.235 632 I CB 0.965 39.031 38.000 0.110 0.000 1.386 632 I HN 0.147 nan 8.210 nan 0.000 0.494 633 I N 5.862 126.507 120.570 0.126 0.000 2.378 633 I HA 0.431 4.601 4.170 0.001 0.000 0.291 633 I C -0.119 176.034 176.117 0.060 0.000 0.992 633 I CA -0.359 60.986 61.300 0.074 0.000 1.154 633 I CB 1.433 39.465 38.000 0.055 0.000 1.315 633 I HN 0.351 nan 8.210 nan 0.000 0.448 634 I N 6.514 127.104 120.570 0.032 0.000 2.433 634 I HA 0.390 4.560 4.170 0.001 0.000 0.292 634 I C -0.210 175.902 176.117 -0.009 0.000 1.001 634 I CA -0.639 60.665 61.300 0.007 0.000 1.119 634 I CB 1.771 39.764 38.000 -0.011 0.000 1.289 634 I HN 0.433 nan 8.210 nan 0.000 0.438 635 K N 5.471 125.860 120.400 -0.019 0.000 2.469 635 K HA 0.779 5.099 4.320 0.001 0.000 0.254 635 K C -1.317 175.259 176.600 -0.040 0.000 0.939 635 K CA -0.823 55.450 56.287 -0.023 0.000 0.812 635 K CB 3.239 35.732 32.500 -0.011 0.000 1.301 635 K HN 0.410 nan 8.250 nan 0.000 0.433 636 V N -1.145 118.744 119.914 -0.041 0.000 2.962 636 V HA 0.794 4.915 4.120 0.001 0.000 0.313 636 V C -0.977 175.095 176.094 -0.036 0.000 1.099 636 V CA -0.982 61.288 62.300 -0.050 0.000 0.971 636 V CB 1.884 33.669 31.823 -0.062 0.000 1.028 636 V HN 0.989 nan 8.190 nan 0.000 0.430 637 R N 1.609 122.088 120.500 -0.035 0.000 2.734 637 R HA 0.943 5.283 4.340 0.001 0.000 0.271 637 R C 0.153 176.439 176.300 -0.024 0.000 1.021 637 R CA -0.045 56.040 56.100 -0.025 0.000 0.893 637 R CB 1.521 31.810 30.300 -0.017 0.000 1.244 637 R HN 2.469 nan 8.270 nan 0.000 0.464 638 G N 0.502 109.291 108.800 -0.018 0.000 2.482 638 G HA2 -0.146 3.814 3.960 0.001 0.000 0.214 638 G HA3 -0.146 3.814 3.960 0.001 0.000 0.214 638 G C -0.838 174.052 174.900 -0.016 0.000 1.271 638 G CA -0.383 44.708 45.100 -0.015 0.000 0.944 638 G HN 1.080 nan 8.290 nan 0.000 0.568 639 T N -0.708 113.838 114.554 -0.014 0.000 2.727 639 T HA 0.591 4.942 4.350 0.001 0.000 0.298 639 T C 0.181 174.869 174.700 -0.020 0.000 0.942 639 T CA -0.111 61.981 62.100 -0.013 0.000 0.997 639 T CB 1.359 70.223 68.868 -0.006 0.000 0.917 639 T HN 0.617 nan 8.240 nan 0.000 0.487 640 Q N 2.613 122.398 119.800 -0.025 0.000 2.681 640 Q HA 0.506 4.847 4.340 0.001 0.000 0.222 640 Q C -0.832 175.151 176.000 -0.029 0.000 1.258 640 Q CA -0.560 55.221 55.803 -0.036 0.000 1.014 640 Q CB 0.506 29.218 28.738 -0.043 0.000 1.384 640 Q HN 0.569 nan 8.270 nan 0.000 0.570 641 V N 0.879 120.780 119.914 -0.022 0.000 2.932 641 V HA 0.227 4.348 4.120 0.001 0.000 0.307 641 V C 0.084 176.177 176.094 -0.001 0.000 1.147 641 V CA -1.112 61.181 62.300 -0.010 0.000 0.951 641 V CB 2.195 34.016 31.823 -0.002 0.000 1.031 641 V HN 0.303 nan 8.190 nan 0.000 0.426 642 V N 3.704 123.623 119.914 0.007 0.000 2.509 642 V HA 0.367 4.487 4.120 0.001 0.000 0.297 642 V C 1.511 177.637 176.094 0.053 0.000 1.014 642 V CA 1.967 64.288 62.300 0.034 0.000 1.127 642 V CB 0.028 31.879 31.823 0.045 0.000 0.925 642 V HN 1.511 nan 8.190 nan 0.000 0.480 643 G N 4.083 112.930 108.800 0.078 0.000 2.176 643 G HA2 -0.222 3.738 3.960 0.001 0.000 0.253 643 G HA3 -0.222 3.738 3.960 0.001 0.000 0.253 643 G C 0.243 175.174 174.900 0.053 0.000 0.979 643 G CA 0.149 45.295 45.100 0.077 0.000 0.641 643 G HN 0.775 nan 8.290 nan 0.000 0.530 644 S N 0.995 116.717 115.700 0.037 0.000 2.503 644 S HA 0.566 5.037 4.470 0.001 0.000 0.301 644 S C -0.673 173.937 174.600 0.016 0.000 1.087 644 S CA -0.784 57.430 58.200 0.023 0.000 1.042 644 S CB 1.774 64.981 63.200 0.012 0.000 1.043 644 S HN 0.270 nan 8.310 nan 0.000 0.489 645 D N 3.220 123.629 120.400 0.015 0.000 2.424 645 D HA 0.306 4.946 4.640 0.001 0.000 0.244 645 D C 0.125 176.421 176.300 -0.007 0.000 1.134 645 D CA 0.403 54.407 54.000 0.007 0.000 0.881 645 D CB 0.377 41.183 40.800 0.010 0.000 1.191 645 D HN 0.520 nan 8.370 nan 0.000 0.445 646 M N -1.003 118.586 119.600 -0.018 0.000 2.446 646 M HA 0.470 4.951 4.480 0.001 0.000 0.294 646 M C -0.957 175.320 176.300 -0.039 0.000 1.158 646 M CA -0.816 54.466 55.300 -0.030 0.000 0.899 646 M CB 2.233 34.807 32.600 -0.043 0.000 1.687 646 M HN -0.127 nan 8.290 nan 0.000 0.455 647 T N 2.461 116.992 114.554 -0.038 0.000 2.799 647 T HA 0.564 4.915 4.350 0.001 0.000 0.286 647 T C -0.188 174.471 174.700 -0.069 0.000 0.973 647 T CA -0.508 61.563 62.100 -0.049 0.000 1.035 647 T CB 1.450 70.301 68.868 -0.029 0.000 0.932 647 T HN 0.516 nan 8.240 nan 0.000 0.469 648 V N 3.639 123.488 119.914 -0.108 0.000 2.481 648 V HA 0.504 4.625 4.120 0.001 0.000 0.286 648 V C 0.368 176.381 176.094 -0.135 0.000 1.042 648 V CA -0.632 61.589 62.300 -0.132 0.000 0.928 648 V CB 1.718 33.429 31.823 -0.187 0.000 0.986 648 V HN 0.951 nan 8.190 nan 0.000 0.462 649 T N 3.900 118.402 114.554 -0.086 0.000 2.864 649 T HA 0.482 4.832 4.350 0.001 0.000 0.299 649 T C -0.497 174.199 174.700 -0.008 0.000 1.011 649 T CA -0.372 61.706 62.100 -0.037 0.000 0.975 649 T CB 1.317 70.183 68.868 -0.003 0.000 0.962 649 T HN 0.741 nan 8.240 nan 0.000 0.448 650 V N 2.221 122.156 119.914 0.035 0.000 2.459 650 V HA 0.887 5.008 4.120 0.001 0.000 0.295 650 V C -0.690 175.512 176.094 0.180 0.000 1.029 650 V CA -0.864 61.500 62.300 0.106 0.000 0.874 650 V CB 1.411 33.322 31.823 0.147 0.000 0.985 650 V HN 0.951 nan 8.190 nan 0.000 0.438 651 E N 5.182 125.471 120.200 0.148 0.000 2.292 651 E HA 0.652 5.002 4.350 0.001 0.000 0.272 651 E C -1.717 174.989 176.600 0.177 0.000 0.881 651 E CA -0.767 55.714 56.400 0.135 0.000 0.754 651 E CB 2.636 32.375 29.700 0.064 0.000 1.201 651 E HN 0.661 nan 8.360 nan 0.000 0.425 652 F N 1.693 121.631 119.950 -0.019 0.000 2.493 652 F HA 0.440 4.967 4.527 0.001 0.000 0.329 652 F C -1.133 174.626 175.800 -0.069 0.000 1.126 652 F CA -0.659 57.323 58.000 -0.031 0.000 0.937 652 F CB 2.228 41.217 39.000 -0.018 0.000 1.146 652 F HN 0.432 nan 8.300 nan 0.000 0.442 653 T N 5.413 119.510 114.554 -0.762 0.000 2.753 653 T HA 0.130 4.480 4.350 0.001 0.000 0.297 653 T C -0.224 173.875 174.700 -1.002 0.000 0.981 653 T CA -0.582 61.109 62.100 -0.682 0.000 0.956 653 T CB 0.106 68.776 68.868 -0.330 0.000 0.936 653 T HN 0.562 nan 8.240 nan 0.000 0.463 654 N N 5.682 123.875 118.700 -0.846 0.000 2.394 654 N HA -0.011 4.729 4.740 0.001 0.000 0.277 654 N C -0.928 174.416 175.510 -0.278 0.000 1.346 654 N CA -1.734 51.001 53.050 -0.526 0.000 0.910 654 N CB 0.859 39.205 38.487 -0.235 0.000 1.201 654 N HN 0.290 nan 8.380 nan 0.000 0.488 655 P HA -0.085 nan 4.420 nan 0.000 0.220 655 P C 0.479 177.765 177.300 -0.023 0.000 1.152 655 P CA 0.287 63.347 63.100 -0.066 0.000 0.812 655 P CB 0.382 32.089 31.700 0.012 0.000 0.792 656 L N 0.128 121.353 121.223 0.003 0.000 2.479 656 L HA 0.036 4.376 4.340 0.001 0.000 0.270 656 L C 1.623 178.489 176.870 -0.007 0.000 1.236 656 L CA 0.935 55.784 54.840 0.014 0.000 0.823 656 L CB -0.421 41.661 42.059 0.038 0.000 1.098 656 L HN -0.227 nan 8.230 nan 0.000 0.500 657 K N -0.014 120.384 120.400 -0.003 0.000 2.410 657 K HA 0.101 4.421 4.320 0.001 0.000 0.200 657 K C -0.201 176.395 176.600 -0.006 0.000 1.023 657 K CA 0.035 56.316 56.287 -0.011 0.000 1.149 657 K CB 0.038 32.530 32.500 -0.013 0.000 0.859 657 K HN 0.680 nan 8.250 nan 0.000 0.514 658 E N -1.728 118.473 120.200 0.002 0.000 2.281 658 E HA 0.313 4.663 4.350 0.001 0.000 0.262 658 E C -0.725 175.879 176.600 0.008 0.000 0.933 658 E CA -0.993 55.411 56.400 0.007 0.000 0.809 658 E CB 1.467 31.177 29.700 0.017 0.000 1.242 658 E HN -0.135 nan 8.360 nan 0.000 0.418 659 T N 1.545 116.104 114.554 0.009 0.000 2.845 659 T HA 0.398 4.748 4.350 0.001 0.000 0.288 659 T C -0.491 174.224 174.700 0.025 0.000 0.980 659 T CA -0.672 61.434 62.100 0.009 0.000 1.071 659 T CB 0.167 69.036 68.868 0.003 0.000 0.941 659 T HN 0.396 nan 8.240 nan 0.000 0.487 660 L N 4.583 125.827 121.223 0.035 0.000 2.295 660 L HA 0.634 4.975 4.340 0.001 0.000 0.285 660 L C 0.267 177.164 176.870 0.044 0.000 1.035 660 L CA -0.969 53.905 54.840 0.057 0.000 0.806 660 L CB 1.327 43.447 42.059 0.101 0.000 1.214 660 L HN 0.483 nan 8.230 nan 0.000 0.426 661 R N 1.950 122.475 120.500 0.041 0.000 2.445 661 R HA 0.342 4.682 4.340 0.001 0.000 0.308 661 R C -0.252 176.059 176.300 0.018 0.000 0.961 661 R CA -0.533 55.581 56.100 0.024 0.000 0.862 661 R CB 0.843 31.158 30.300 0.024 0.000 1.144 661 R HN 0.630 nan 8.270 nan 0.000 0.447 662 N N 0.368 119.048 118.700 -0.033 0.000 2.738 662 N HA -0.175 4.565 4.740 0.001 0.000 0.249 662 N C -0.936 174.504 175.510 -0.116 0.000 1.047 662 N CA -0.001 52.979 53.050 -0.118 0.000 0.707 662 N CB -0.762 37.713 38.487 -0.020 0.000 0.937 662 N HN 0.133 nan 8.380 nan 0.000 0.545 663 V N 0.900 120.773 119.914 -0.069 0.000 2.446 663 V HA 0.051 4.171 4.120 0.001 0.000 0.276 663 V C 0.469 176.542 176.094 -0.034 0.000 1.030 663 V CA 0.342 62.665 62.300 0.038 0.000 1.033 663 V CB -0.177 31.731 31.823 0.142 0.000 0.993 663 V HN 0.223 nan 8.190 nan 0.000 0.477 664 W N 3.636 124.963 121.300 0.046 0.000 2.429 664 W HA 0.631 5.291 4.660 0.001 0.000 0.314 664 W C -0.481 176.088 176.519 0.085 0.000 1.062 664 W CA -0.619 56.738 57.345 0.020 0.000 1.211 664 W CB 1.837 31.319 29.460 0.037 0.000 1.305 664 W HN 0.278 nan 8.180 nan 0.000 0.476 665 V N 4.376 124.510 119.914 0.366 0.000 2.495 665 V HA 0.354 4.475 4.120 0.001 0.000 0.298 665 V C -0.073 176.271 176.094 0.417 0.000 1.031 665 V CA -0.833 61.682 62.300 0.358 0.000 0.871 665 V CB 1.159 33.215 31.823 0.389 0.000 0.988 665 V HN 0.488 nan 8.190 nan 0.000 0.432 666 H N 3.956 123.191 119.070 0.275 0.000 2.621 666 H HA 0.657 5.214 4.556 0.001 0.000 0.360 666 H C -1.199 174.312 175.328 0.306 0.000 1.163 666 H CA -0.785 55.438 56.048 0.291 0.000 1.194 666 H CB 2.802 32.633 29.762 0.114 0.000 1.649 666 H HN 0.387 nan 8.280 nan 0.000 0.532 667 L N 2.089 123.535 121.223 0.372 0.000 2.401 667 L HA 0.422 4.762 4.340 0.001 0.000 0.266 667 L C -1.119 175.787 176.870 0.060 0.000 0.991 667 L CA -0.275 54.634 54.840 0.115 0.000 0.818 667 L CB 1.915 43.875 42.059 -0.165 0.000 1.321 667 L HN 0.687 nan 8.230 nan 0.000 0.413 668 D N 1.787 122.181 120.400 -0.009 0.000 2.665 668 D HA 0.796 5.436 4.640 0.001 0.000 0.287 668 D C -1.270 174.976 176.300 -0.090 0.000 1.266 668 D CA 0.348 54.327 54.000 -0.036 0.000 0.830 668 D CB 2.552 43.323 40.800 -0.049 0.000 1.356 668 D HN 0.813 nan 8.370 nan 0.000 0.437 669 G N 1.680 110.415 108.800 -0.108 0.000 2.110 669 G HA2 0.243 4.203 3.960 0.001 0.000 0.218 669 G HA3 0.243 4.203 3.960 0.001 0.000 0.218 669 G C -3.078 171.717 174.900 -0.174 0.000 2.460 669 G CA -0.861 44.147 45.100 -0.153 0.000 0.838 669 G HN 0.268 nan 8.290 nan 0.000 0.534 670 P HA 0.286 nan 4.420 nan 0.000 0.264 670 P C 1.277 178.425 177.300 -0.252 0.000 1.193 670 P CA 1.814 64.858 63.100 -0.093 0.000 0.763 670 P CB 1.233 32.925 31.700 -0.013 0.000 0.810 671 G N 1.891 110.420 108.800 -0.451 0.000 2.253 671 G HA2 -0.290 3.670 3.960 0.001 0.000 0.251 671 G HA3 -0.290 3.670 3.960 0.001 0.000 0.251 671 G C 0.668 174.595 174.900 -1.622 0.000 0.998 671 G CA 0.278 44.714 45.100 -1.107 0.000 0.621 671 G HN 0.417 nan 8.290 nan 0.000 0.524 672 V N -0.574 118.723 119.914 -1.028 0.000 2.806 672 V HA 0.489 4.610 4.120 0.001 0.000 0.239 672 V C 1.127 176.864 176.094 -0.595 0.000 1.113 672 V CA 2.058 63.938 62.300 -0.699 0.000 1.137 672 V CB 1.032 32.631 31.823 -0.374 0.000 0.865 672 V HN 0.809 nan 8.190 nan 0.000 0.482 673 T N -0.755 113.568 114.554 -0.384 0.000 2.853 673 T HA 0.536 4.887 4.350 0.001 0.000 0.311 673 T C -1.246 173.569 174.700 0.191 0.000 1.307 673 T CA -0.586 61.519 62.100 0.009 0.000 1.019 673 T CB 1.992 70.844 68.868 -0.026 0.000 1.264 673 T HN 0.112 nan 8.240 nan 0.000 0.497 674 R N 2.715 123.408 120.500 0.322 0.000 2.531 674 R HA 0.550 4.891 4.340 0.001 0.000 0.273 674 R C -2.347 174.039 176.300 0.143 0.000 1.070 674 R CA -1.839 54.407 56.100 0.243 0.000 1.112 674 R CB 0.324 30.739 30.300 0.191 0.000 1.049 674 R HN 0.432 nan 8.270 nan 0.000 0.508 675 P HA 0.100 nan 4.420 nan 0.000 0.268 675 P C -0.844 176.536 177.300 0.133 0.000 1.204 675 P CA 0.407 63.576 63.100 0.114 0.000 0.768 675 P CB 0.576 32.345 31.700 0.114 0.000 0.842 676 M N 1.150 120.850 119.600 0.168 0.000 2.721 676 M HA 0.713 5.193 4.480 0.001 0.000 0.271 676 M C -1.168 175.308 176.300 0.293 0.000 1.259 676 M CA -0.938 54.489 55.300 0.212 0.000 0.835 676 M CB 3.099 35.867 32.600 0.280 0.000 1.689 676 M HN 0.171 nan 8.290 nan 0.000 0.470 677 K N 0.201 120.683 120.400 0.137 0.000 2.556 677 K HA 0.742 5.062 4.320 0.001 0.000 0.274 677 K C -2.026 174.367 176.600 -0.344 0.000 0.966 677 K CA -1.027 55.172 56.287 -0.147 0.000 0.865 677 K CB 3.094 35.216 32.500 -0.631 0.000 1.444 677 K HN 0.800 nan 8.250 nan 0.000 0.433 678 K N 2.153 122.136 120.400 -0.695 0.000 2.469 678 K HA 0.421 4.741 4.320 0.001 0.000 0.254 678 K C -1.442 174.692 176.600 -0.776 0.000 0.939 678 K CA -0.864 54.925 56.287 -0.831 0.000 0.812 678 K CB 2.346 33.888 32.500 -1.596 0.000 1.301 678 K HN 0.765 nan 8.250 nan 0.000 0.433 679 M N 4.040 122.957 119.600 -1.139 0.000 2.404 679 M HA 0.432 4.912 4.480 0.001 0.000 0.338 679 M C -1.679 173.945 176.300 -1.128 0.000 1.150 679 M CA -0.698 53.743 55.300 -1.432 0.000 1.016 679 M CB 0.852 32.119 32.600 -2.223 0.000 1.672 679 M HN 0.601 nan 8.290 nan 0.000 0.448 680 F N 4.054 123.698 119.950 -0.511 0.000 2.382 680 F HA 0.452 4.979 4.527 0.001 0.000 0.361 680 F C 1.174 176.815 175.800 -0.265 0.000 1.109 680 F CA -0.729 57.094 58.000 -0.295 0.000 1.031 680 F CB 0.909 39.806 39.000 -0.172 0.000 1.234 680 F HN 0.600 nan 8.300 nan 0.000 0.445 681 R N 1.850 122.294 120.500 -0.093 0.000 2.170 681 R HA -0.147 4.193 4.340 0.001 0.000 0.242 681 R C -0.160 176.128 176.300 -0.019 0.000 1.145 681 R CA 1.147 57.196 56.100 -0.084 0.000 0.984 681 R CB -0.576 29.680 30.300 -0.073 0.000 0.869 681 R HN 0.837 nan 8.270 nan 0.000 0.455 682 E N -0.787 119.431 120.200 0.030 0.000 2.478 682 E HA 0.308 4.658 4.350 0.001 0.000 0.293 682 E C -1.262 175.346 176.600 0.014 0.000 1.011 682 E CA -0.472 55.942 56.400 0.024 0.000 0.834 682 E CB 0.774 30.479 29.700 0.008 0.000 1.226 682 E HN -0.040 nan 8.360 nan 0.000 0.419 683 I N 3.158 123.728 120.570 -0.000 0.000 2.464 683 I HA 0.352 4.523 4.170 0.001 0.000 0.277 683 I C 0.416 176.510 176.117 -0.039 0.000 1.040 683 I CA -1.022 60.251 61.300 -0.045 0.000 1.153 683 I CB 0.793 38.760 38.000 -0.054 0.000 1.274 683 I HN 0.367 nan 8.210 nan 0.000 0.469 684 R N 4.519 124.993 120.500 -0.043 0.000 2.873 684 R HA 0.139 4.479 4.340 0.001 0.000 0.267 684 R C -2.273 173.995 176.300 -0.052 0.000 1.009 684 R CA -1.194 54.884 56.100 -0.037 0.000 1.152 684 R CB -0.283 29.995 30.300 -0.036 0.000 1.047 684 R HN 0.190 nan 8.270 nan 0.000 0.470 685 P HA -0.011 nan 4.420 nan 0.000 0.268 685 P C -0.275 176.983 177.300 -0.071 0.000 1.208 685 P CA 0.336 63.405 63.100 -0.052 0.000 0.777 685 P CB 0.230 31.909 31.700 -0.035 0.000 0.875 686 N N -2.189 116.458 118.700 -0.088 0.000 2.653 686 N HA -0.233 4.508 4.740 0.001 0.000 0.248 686 N C 0.150 175.590 175.510 -0.118 0.000 1.154 686 N CA 0.933 53.923 53.050 -0.101 0.000 0.780 686 N CB -1.108 37.337 38.487 -0.070 0.000 1.155 686 N HN 0.390 nan 8.380 nan 0.000 0.570 687 S N -0.910 114.711 115.700 -0.132 0.000 2.655 687 S HA 0.591 5.062 4.470 0.001 0.000 0.265 687 S C 0.063 174.544 174.600 -0.198 0.000 1.240 687 S CA 0.107 58.224 58.200 -0.139 0.000 0.986 687 S CB 1.103 64.230 63.200 -0.122 0.000 0.985 687 S HN 0.155 nan 8.310 nan 0.000 0.562 688 T N 1.629 116.072 114.554 -0.186 0.000 3.071 688 T HA 0.495 4.845 4.350 0.001 0.000 0.311 688 T C -0.735 173.837 174.700 -0.213 0.000 1.042 688 T CA -0.583 61.391 62.100 -0.210 0.000 1.028 688 T CB 1.188 69.965 68.868 -0.151 0.000 1.068 688 T HN 0.825 nan 8.240 nan 0.000 0.451 689 V N 1.464 121.208 119.914 -0.284 0.000 2.850 689 V HA 0.872 4.992 4.120 0.001 0.000 0.315 689 V C -0.638 175.371 176.094 -0.141 0.000 1.064 689 V CA -0.814 61.247 62.300 -0.399 0.000 0.979 689 V CB 1.937 33.040 31.823 -1.200 0.000 1.039 689 V HN 0.930 nan 8.190 nan 0.000 0.452 690 Q N 2.180 121.982 119.800 0.004 0.000 2.315 690 Q HA 0.433 4.773 4.340 0.001 0.000 0.273 690 Q C -2.414 173.816 176.000 0.383 0.000 1.053 690 Q CA -0.556 55.348 55.803 0.168 0.000 0.817 690 Q CB 2.906 31.707 28.738 0.106 0.000 1.326 690 Q HN 0.958 nan 8.270 nan 0.000 0.423 691 W N 3.369 124.775 121.300 0.178 0.000 2.819 691 W HA 0.534 5.194 4.660 0.001 0.000 0.337 691 W C -1.574 175.005 176.519 0.101 0.000 1.077 691 W CA -0.733 56.718 57.345 0.177 0.000 1.226 691 W CB 1.641 31.224 29.460 0.204 0.000 1.419 691 W HN 0.677 nan 8.180 nan 0.000 0.502 692 E N 3.785 124.095 120.200 0.184 0.000 2.275 692 E HA 0.292 4.642 4.350 0.001 0.000 0.270 692 E C -0.897 175.612 176.600 -0.152 0.000 0.882 692 E CA -0.769 55.596 56.400 -0.059 0.000 0.758 692 E CB 2.687 32.407 29.700 0.035 0.000 1.195 692 E HN 0.242 nan 8.360 nan 0.000 0.419 693 E N 1.386 121.411 120.200 -0.291 0.000 2.317 693 E HA 0.258 4.609 4.350 0.001 0.000 0.270 693 E C -1.267 175.255 176.600 -0.130 0.000 0.885 693 E CA -0.797 55.473 56.400 -0.217 0.000 0.760 693 E CB 3.044 32.511 29.700 -0.389 0.000 1.227 693 E HN 0.261 nan 8.360 nan 0.000 0.434 694 V N 2.754 122.636 119.914 -0.054 0.000 2.385 694 V HA 0.252 4.373 4.120 0.001 0.000 0.269 694 V C -0.784 175.301 176.094 -0.016 0.000 1.043 694 V CA -0.224 62.059 62.300 -0.028 0.000 0.906 694 V CB 0.051 31.875 31.823 0.001 0.000 0.995 694 V HN 0.684 nan 8.190 nan 0.000 0.467 695 C N 6.983 126.266 119.300 -0.029 0.000 2.329 695 C HA 0.583 5.043 4.460 0.001 0.000 0.329 695 C C 0.299 175.299 174.990 0.017 0.000 1.275 695 C CA -0.763 58.249 59.018 -0.010 0.000 1.726 695 C CB 0.841 28.539 27.740 -0.070 0.000 2.291 695 C HN 0.961 nan 8.230 nan 0.000 0.514 696 R N 4.419 124.971 120.500 0.087 0.000 2.332 696 R HA 0.296 4.637 4.340 0.001 0.000 0.306 696 R C -2.505 173.898 176.300 0.173 0.000 1.117 696 R CA -1.035 55.131 56.100 0.110 0.000 1.108 696 R CB 0.637 31.016 30.300 0.130 0.000 1.126 696 R HN 0.518 nan 8.270 nan 0.000 0.548 697 P HA -0.085 nan 4.420 nan 0.000 0.264 697 P C -0.592 176.751 177.300 0.071 0.000 1.183 697 P CA 0.116 63.140 63.100 -0.127 0.000 0.763 697 P CB 0.260 31.862 31.700 -0.164 0.000 0.807 698 W N 1.730 123.029 121.300 -0.002 0.000 2.870 698 W HA 0.495 5.155 4.660 0.000 0.000 0.358 698 W C -1.022 175.501 176.519 0.006 0.000 1.043 698 W CA -0.466 56.882 57.345 0.006 0.000 1.692 698 W CB -0.231 29.237 29.460 0.013 0.000 1.100 698 W HN -0.132 nan 8.180 nan 0.000 0.557 699 V N 2.698 122.509 119.914 -0.172 0.000 2.656 699 V HA 0.554 4.674 4.120 0.001 0.000 0.307 699 V C 0.282 176.312 176.094 -0.106 0.000 1.051 699 V CA -0.694 61.540 62.300 -0.110 0.000 0.893 699 V CB 1.670 33.379 31.823 -0.190 0.000 0.999 699 V HN 0.145 nan 8.190 nan 0.000 0.426 700 S N 3.106 118.779 115.700 -0.045 0.000 2.718 700 S HA 0.998 5.468 4.470 0.001 0.000 0.300 700 S C 0.196 174.780 174.600 -0.027 0.000 1.117 700 S CA 0.252 58.430 58.200 -0.037 0.000 1.002 700 S CB 1.799 64.994 63.200 -0.009 0.000 1.092 700 S HN 2.356 nan 8.310 nan 0.000 0.542 701 G N 0.521 109.313 108.800 -0.014 0.000 2.548 701 G HA2 -0.093 3.867 3.960 0.001 0.000 0.208 701 G HA3 -0.093 3.867 3.960 0.001 0.000 0.208 701 G C -0.542 174.376 174.900 0.030 0.000 1.308 701 G CA -0.287 44.824 45.100 0.018 0.000 0.924 701 G HN 1.285 nan 8.290 nan 0.000 0.540 702 H N 2.077 121.125 119.070 -0.036 0.000 2.955 702 H HA 0.420 4.976 4.556 0.001 0.000 0.290 702 H C 0.490 175.788 175.328 -0.051 0.000 1.047 702 H CA 0.311 56.335 56.048 -0.040 0.000 1.484 702 H CB 0.181 29.926 29.762 -0.029 0.000 1.501 702 H HN 0.458 nan 8.280 nan 0.000 0.521 703 R N 3.529 123.781 120.500 -0.413 0.000 2.960 703 R HA 0.440 4.780 4.340 0.001 0.000 0.249 703 R C -0.816 175.217 176.300 -0.445 0.000 1.192 703 R CA -1.045 54.850 56.100 -0.340 0.000 1.035 703 R CB 1.541 31.687 30.300 -0.257 0.000 1.234 703 R HN 0.592 nan 8.270 nan 0.000 0.493 704 K N 0.198 120.426 120.400 -0.287 0.000 2.523 704 K HA 0.461 4.782 4.320 0.001 0.000 0.257 704 K C -1.580 174.914 176.600 -0.177 0.000 0.932 704 K CA -0.424 55.723 56.287 -0.233 0.000 0.812 704 K CB 1.567 33.958 32.500 -0.182 0.000 1.326 704 K HN 0.382 nan 8.250 nan 0.000 0.433 705 L N 5.024 126.160 121.223 -0.144 0.000 2.317 705 L HA 0.628 4.969 4.340 0.001 0.000 0.281 705 L C -0.697 176.121 176.870 -0.087 0.000 1.024 705 L CA -0.737 54.031 54.840 -0.120 0.000 0.810 705 L CB 1.286 43.277 42.059 -0.114 0.000 1.240 705 L HN 0.555 nan 8.230 nan 0.000 0.427 706 I N 2.314 122.841 120.570 -0.072 0.000 2.686 706 I HA 0.814 4.984 4.170 0.001 0.000 0.295 706 I C -0.493 175.628 176.117 0.008 0.000 1.114 706 I CA -0.502 60.773 61.300 -0.042 0.000 1.038 706 I CB 2.187 40.140 38.000 -0.079 0.000 1.238 706 I HN 0.639 nan 8.210 nan 0.000 0.420 707 A N 3.340 126.195 122.820 0.059 0.000 2.594 707 A HA 0.960 5.281 4.320 0.001 0.000 0.291 707 A C -0.865 176.806 177.584 0.145 0.000 1.105 707 A CA -0.439 51.668 52.037 0.117 0.000 0.694 707 A CB 2.074 21.143 19.000 0.115 0.000 1.291 707 A HN 0.793 nan 8.150 nan 0.000 0.410 708 S N 0.378 116.151 115.700 0.122 0.000 2.625 708 S HA 0.845 5.316 4.470 0.001 0.000 0.271 708 S C -0.947 173.598 174.600 -0.091 0.000 1.161 708 S CA -0.589 57.588 58.200 -0.038 0.000 0.820 708 S CB 1.903 65.108 63.200 0.008 0.000 1.137 708 S HN 1.755 nan 8.310 nan 0.000 0.470 709 M N 2.221 121.645 119.600 -0.293 0.000 2.371 709 M HA 0.649 5.130 4.480 0.001 0.000 0.287 709 M C -1.810 174.344 176.300 -0.244 0.000 1.149 709 M CA -0.107 55.048 55.300 -0.242 0.000 0.929 709 M CB 1.773 34.025 32.600 -0.581 0.000 1.683 709 M HN 1.047 nan 8.290 nan 0.000 0.470 710 S N 3.164 118.831 115.700 -0.054 0.000 2.619 710 S HA 0.850 5.320 4.470 0.001 0.000 0.280 710 S C -0.888 173.775 174.600 0.105 0.000 1.150 710 S CA -0.083 58.102 58.200 -0.026 0.000 0.978 710 S CB 1.327 64.494 63.200 -0.055 0.000 1.041 710 S HN 0.938 nan 8.310 nan 0.000 0.485 711 S N 3.074 118.823 115.700 0.082 0.000 2.806 711 S HA 0.538 5.008 4.470 0.001 0.000 0.315 711 S C 0.121 174.796 174.600 0.124 0.000 1.127 711 S CA -0.563 57.707 58.200 0.116 0.000 0.918 711 S CB 0.645 63.898 63.200 0.088 0.000 1.240 711 S HN 0.534 nan 8.310 nan 0.000 0.552 712 D N 0.681 121.147 120.400 0.110 0.000 2.351 712 D HA 0.048 4.688 4.640 0.001 0.000 0.216 712 D C 1.557 177.911 176.300 0.090 0.000 0.968 712 D CA 1.586 55.645 54.000 0.100 0.000 0.899 712 D CB 0.014 40.858 40.800 0.074 0.000 0.907 712 D HN 0.563 nan 8.370 nan 0.000 0.514 713 S N -1.215 114.537 115.700 0.087 0.000 4.163 713 S HA 0.107 4.578 4.470 0.001 0.000 0.164 713 S C 0.300 174.950 174.600 0.084 0.000 0.896 713 S CA -0.553 57.697 58.200 0.083 0.000 1.125 713 S CB 0.081 63.323 63.200 0.069 0.000 1.698 713 S HN 0.034 nan 8.310 nan 0.000 0.817 714 L N 3.892 125.162 121.223 0.079 0.000 2.559 714 L HA 0.507 4.847 4.340 0.001 0.000 0.282 714 L C 0.222 177.111 176.870 0.031 0.000 1.232 714 L CA 0.782 55.664 54.840 0.069 0.000 0.885 714 L CB -0.060 42.059 42.059 0.100 0.000 1.131 714 L HN 0.821 nan 8.230 nan 0.000 0.498 715 R N 2.676 123.180 120.500 0.007 0.000 2.835 715 R HA 0.186 4.527 4.340 0.001 0.000 0.271 715 R C -0.689 175.580 176.300 -0.052 0.000 1.013 715 R CA -0.330 55.741 56.100 -0.049 0.000 0.876 715 R CB 0.328 30.647 30.300 0.032 0.000 1.348 715 R HN 0.749 nan 8.270 nan 0.000 0.453 716 H N -1.508 117.392 119.070 -0.283 0.000 2.886 716 H HA -0.093 4.463 4.556 0.001 0.000 0.294 716 H C -1.824 173.148 175.328 -0.594 0.000 1.246 716 H CA 0.880 56.704 56.048 -0.374 0.000 1.142 716 H CB -0.881 28.783 29.762 -0.163 0.000 1.358 716 H HN 0.215 nan 8.280 nan 0.000 0.406 717 V N 1.909 121.309 119.914 -0.857 0.000 2.417 717 V HA 0.501 4.621 4.120 0.001 0.000 0.291 717 V C -0.167 175.300 176.094 -1.045 0.000 1.024 717 V CA -0.322 61.544 62.300 -0.722 0.000 0.861 717 V CB 1.084 32.587 31.823 -0.533 0.000 0.985 717 V HN 0.302 nan 8.190 nan 0.000 0.436 718 Y N 2.059 122.278 120.300 -0.135 0.000 2.634 718 Y HA 0.922 5.472 4.550 0.000 0.000 0.340 718 Y C 0.561 176.434 175.900 -0.044 0.000 1.058 718 Y CA -0.816 57.218 58.100 -0.108 0.000 1.081 718 Y CB 2.457 40.839 38.460 -0.131 0.000 1.295 718 Y HN 0.757 nan 8.280 nan 0.000 0.487 719 G N -0.074 108.819 108.800 0.155 0.000 2.623 719 G HA2 0.637 4.598 3.960 0.001 0.000 0.290 719 G HA3 0.637 4.598 3.960 0.001 0.000 0.290 719 G C -1.904 173.027 174.900 0.051 0.000 1.437 719 G CA -0.987 44.165 45.100 0.087 0.000 0.798 719 G HN 0.747 nan 8.290 nan 0.000 0.488 720 E N -1.056 119.157 120.200 0.022 0.000 2.429 720 E HA 0.712 5.062 4.350 0.001 0.000 0.280 720 E C -2.012 174.575 176.600 -0.021 0.000 1.068 720 E CA -1.114 55.279 56.400 -0.012 0.000 0.837 720 E CB 2.249 31.932 29.700 -0.028 0.000 1.357 720 E HN 0.627 nan 8.360 nan 0.000 0.455 721 L N 1.643 122.838 121.223 -0.047 0.000 2.543 721 L HA 0.382 4.723 4.340 0.001 0.000 0.265 721 L C -1.587 175.232 176.870 -0.086 0.000 0.945 721 L CA -0.582 54.227 54.840 -0.050 0.000 0.869 721 L CB 1.945 43.974 42.059 -0.050 0.000 1.294 721 L HN 0.799 nan 8.230 nan 0.000 0.405 722 D N 3.883 124.239 120.400 -0.073 0.000 2.350 722 D HA 0.460 5.100 4.640 0.001 0.000 0.249 722 D C -0.281 175.934 176.300 -0.142 0.000 1.119 722 D CA 0.211 54.131 54.000 -0.134 0.000 0.886 722 D CB 2.464 43.280 40.800 0.026 0.000 1.195 722 D HN 0.347 nan 8.370 nan 0.000 0.437 723 V N -0.556 119.217 119.914 -0.234 0.000 2.971 723 V HA 0.388 4.508 4.120 0.001 0.000 0.309 723 V C -0.902 175.104 176.094 -0.146 0.000 1.130 723 V CA -1.058 61.153 62.300 -0.149 0.000 0.964 723 V CB 2.470 34.207 31.823 -0.144 0.000 1.029 723 V HN 0.294 nan 8.190 nan 0.000 0.427 724 Q N 2.723 122.485 119.800 -0.062 0.000 2.340 724 Q HA 0.590 4.930 4.340 0.001 0.000 0.259 724 Q C -1.256 174.717 176.000 -0.045 0.000 0.964 724 Q CA -0.429 55.359 55.803 -0.025 0.000 0.900 724 Q CB 2.235 30.980 28.738 0.011 0.000 1.228 724 Q HN 0.769 nan 8.270 nan 0.000 0.449 725 I N 3.401 123.938 120.570 -0.054 0.000 2.321 725 I HA 0.077 4.247 4.170 0.001 0.000 0.291 725 I C 0.404 176.504 176.117 -0.030 0.000 0.998 725 I CA -0.230 61.037 61.300 -0.056 0.000 1.227 725 I CB 1.032 38.978 38.000 -0.089 0.000 1.368 725 I HN 0.271 nan 8.210 nan 0.000 0.466 726 Q N 5.339 125.126 119.800 -0.021 0.000 2.471 726 Q HA 0.343 4.683 4.340 0.001 0.000 0.223 726 Q C 0.341 176.338 176.000 -0.005 0.000 1.045 726 Q CA -0.270 55.527 55.803 -0.010 0.000 0.956 726 Q CB 0.873 29.607 28.738 -0.008 0.000 1.249 726 Q HN 0.420 nan 8.270 nan 0.000 0.549 727 R N 0.000 120.501 120.500 0.001 0.000 2.786 727 R HA 0.000 4.340 4.340 0.001 0.000 0.208 727 R CA 0.000 56.104 56.100 0.007 0.000 0.921 727 R CB 0.000 30.305 30.300 0.008 0.000 0.687 727 R HN 0.000 nan 8.270 nan 0.000 0.535