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 1th1_1_B DATA FIRST_RESID 146 DATA SEQUENCE AELATRAIPE LTKLLNDEDQ VVVNKAAVMV HQLSKKEASR HAIMRSPQMV DATA SEQUENCE SAIVRTMQNT NDVETARCTA GTLHNLSHHR EGLLAIFKSG GIPALVKMLG DATA SEQUENCE SPVDSVLFYA ITTLHNLLLH QEGAKMAVRL AGGLQKMVAL LNKTNVKFLA DATA SEQUENCE ITTDCLQILA YGNQESKLII LASGGPQALV NIMRTYTYEK LLWTTSRVLK DATA SEQUENCE VLSVCSSNKP AIVEAGGMQA LGLHLTDPSQ RLVQNCLWTL RNLSDAATKQ DATA SEQUENCE EGMEGLLGTL VQLLGSDDIN VVTCAAGILS NLTCNNYKNK MMVCQVGGIE DATA SEQUENCE ALVRTVLRAG DREDITEPAI CALRHLTSRH QEAEMAQNAV RLHYGLPVVV DATA SEQUENCE KLLHPPSHWP LIKATVGLIR NLALCPANHA PLREQGAIPR LVQLLVRAHQ DATA SEQUENCE DTQRRTSXXX XXXQFVEGVR MEEIVEGCTG ALHILARDVH NRIVIRGLNT DATA SEQUENCE IPLFVQLLYS PIENIQRVAA GVLCELAQDK EAAEAIEAEG ATAPLTELLH DATA SEQUENCE SRNEGVATYA AAVLFRMSE 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 146 A HA 0.000 nan 4.320 nan 0.000 0.244 146 A C 0.000 177.591 177.584 0.011 0.000 1.274 146 A CA 0.000 52.050 52.037 0.021 0.000 0.836 146 A CB 0.000 19.014 19.000 0.022 0.000 0.831 147 E N -1.192 119.013 120.200 0.009 0.000 3.259 147 E HA -0.302 4.048 4.350 -0.000 0.000 0.332 147 E C 0.690 177.293 176.600 0.005 0.000 1.477 147 E CA 2.307 58.710 56.400 0.005 0.000 1.742 147 E CB -1.297 28.405 29.700 0.003 0.000 1.842 147 E HN 1.301 nan 8.360 nan 0.000 0.499 148 L N -1.095 120.130 121.223 0.003 0.000 2.599 148 L HA 0.553 4.893 4.340 -0.000 0.000 0.230 148 L C 1.723 178.595 176.870 0.004 0.000 1.141 148 L CA 1.477 56.319 54.840 0.003 0.000 0.877 148 L CB -0.193 41.867 42.059 0.002 0.000 1.009 148 L HN 0.414 nan 8.230 nan 0.000 0.447 149 A N -0.321 122.502 122.820 0.005 0.000 2.119 149 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 149 A C 2.132 179.721 177.584 0.009 0.000 1.152 149 A CA 1.395 53.435 52.037 0.006 0.000 0.708 149 A CB -0.817 18.186 19.000 0.005 0.000 0.805 149 A HN 0.469 nan 8.150 nan 0.000 0.460 150 T N -1.095 113.464 114.554 0.009 0.000 3.085 150 T HA -0.009 4.341 4.350 -0.000 0.000 0.263 150 T C 1.850 176.555 174.700 0.008 0.000 1.127 150 T CA 1.183 63.289 62.100 0.010 0.000 1.103 150 T CB -0.060 68.813 68.868 0.009 0.000 0.921 150 T HN 0.579 nan 8.240 nan 0.000 0.510 151 R N 0.189 120.693 120.500 0.007 0.000 2.225 151 R HA 0.319 4.658 4.340 -0.000 0.000 0.194 151 R C 2.359 178.663 176.300 0.007 0.000 0.957 151 R CA 0.604 56.707 56.100 0.006 0.000 1.042 151 R CB -0.055 30.248 30.300 0.005 0.000 1.004 151 R HN 0.280 nan 8.270 nan 0.000 0.509 152 A N 1.154 123.979 122.820 0.007 0.000 1.970 152 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 152 A C 1.806 179.396 177.584 0.010 0.000 1.170 152 A CA 0.564 52.606 52.037 0.008 0.000 0.645 152 A CB -0.099 18.905 19.000 0.007 0.000 0.816 152 A HN 0.178 nan 8.150 nan 0.000 0.447 153 I N 0.157 120.734 120.570 0.011 0.000 2.252 153 I HA -0.091 4.078 4.170 -0.000 0.000 0.245 153 I C -0.612 175.512 176.117 0.012 0.000 1.102 153 I CA 0.916 62.224 61.300 0.014 0.000 1.385 153 I CB -2.333 35.676 38.000 0.016 0.000 1.064 153 I HN 0.139 nan 8.210 nan 0.000 0.414 154 P HA -0.125 nan 4.420 nan 0.000 0.221 154 P C 1.590 178.895 177.300 0.008 0.000 1.150 154 P CA 1.038 64.143 63.100 0.009 0.000 0.800 154 P CB 0.203 31.908 31.700 0.007 0.000 0.787 155 E N -0.123 120.082 120.200 0.008 0.000 2.072 155 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 155 E C 1.778 178.383 176.600 0.008 0.000 0.982 155 E CA 1.047 57.451 56.400 0.007 0.000 0.803 155 E CB -1.128 28.576 29.700 0.007 0.000 0.755 155 E HN 0.116 nan 8.360 nan 0.000 0.453 156 L N 0.005 121.234 121.223 0.010 0.000 2.291 156 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 156 L C 2.173 179.050 176.870 0.011 0.000 1.120 156 L CA 1.340 56.187 54.840 0.012 0.000 0.799 156 L CB -0.275 41.792 42.059 0.015 0.000 0.925 156 L HN 0.172 nan 8.230 nan 0.000 0.446 157 T N -0.670 113.890 114.554 0.010 0.000 2.812 157 T HA -0.141 4.209 4.350 -0.000 0.000 0.264 157 T C 1.881 176.585 174.700 0.007 0.000 1.042 157 T CA 1.028 63.133 62.100 0.009 0.000 1.140 157 T CB 0.001 68.875 68.868 0.009 0.000 0.870 157 T HN 0.289 nan 8.240 nan 0.000 0.445 158 K N 0.595 120.999 120.400 0.006 0.000 2.057 158 K HA 0.002 4.322 4.320 -0.000 0.000 0.207 158 K C 1.988 178.591 176.600 0.005 0.000 1.049 158 K CA 0.910 57.200 56.287 0.005 0.000 0.931 158 K CB -0.256 32.247 32.500 0.005 0.000 0.714 158 K HN 0.148 nan 8.250 nan 0.000 0.440 159 L N 0.545 121.771 121.223 0.006 0.000 2.156 159 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 159 L C 1.919 178.792 176.870 0.006 0.000 1.095 159 L CA 1.134 55.977 54.840 0.006 0.000 0.770 159 L CB -0.376 41.687 42.059 0.007 0.000 0.914 159 L HN 0.116 nan 8.230 nan 0.000 0.439 160 L N -0.660 120.567 121.223 0.006 0.000 2.313 160 L HA -0.031 4.309 4.340 -0.000 0.000 0.214 160 L C 1.723 178.595 176.870 0.003 0.000 1.119 160 L CA 1.283 56.126 54.840 0.005 0.000 0.809 160 L CB -0.894 41.169 42.059 0.007 0.000 0.933 160 L HN 0.373 nan 8.230 nan 0.000 0.449 161 N N -0.831 117.870 118.700 0.003 0.000 2.236 161 N HA -0.029 4.711 4.740 -0.000 0.000 0.196 161 N C 0.231 175.742 175.510 0.001 0.000 1.114 161 N CA 0.001 53.052 53.050 0.001 0.000 0.859 161 N CB 0.646 39.133 38.487 0.001 0.000 0.982 161 N HN 0.323 nan 8.380 nan 0.000 0.493 162 D N 1.147 121.548 120.400 0.002 0.000 2.382 162 D HA -0.023 4.617 4.640 -0.000 0.000 0.240 162 D C 0.829 177.130 176.300 0.001 0.000 1.146 162 D CA 0.186 54.188 54.000 0.002 0.000 0.897 162 D CB 1.303 42.104 40.800 0.002 0.000 1.197 162 D HN -0.049 nan 8.370 nan 0.000 0.432 163 E N 0.973 121.173 120.200 0.001 0.000 2.358 163 E HA -0.079 4.270 4.350 -0.000 0.000 0.195 163 E C -0.209 176.391 176.600 0.000 0.000 1.010 163 E CA 0.348 56.748 56.400 0.000 0.000 0.856 163 E CB 0.045 29.745 29.700 -0.000 0.000 0.795 163 E HN 0.406 nan 8.360 nan 0.000 0.504 164 D N 0.309 120.710 120.400 0.001 0.000 2.339 164 D HA 0.017 4.656 4.640 -0.000 0.000 0.241 164 D C 0.851 177.151 176.300 0.001 0.000 1.183 164 D CA -0.082 53.918 54.000 0.001 0.000 0.859 164 D CB 1.047 41.848 40.800 0.001 0.000 1.067 164 D HN -0.298 nan 8.370 nan 0.000 0.484 165 Q N 2.377 122.177 119.800 0.000 0.000 2.364 165 Q HA -0.060 4.280 4.340 -0.000 0.000 0.209 165 Q C 1.528 177.529 176.000 0.001 0.000 0.977 165 Q CA 0.823 56.626 55.803 -0.000 0.000 0.885 165 Q CB 0.098 28.836 28.738 -0.001 0.000 0.941 165 Q HN 0.517 nan 8.270 nan 0.000 0.464 166 V N -1.255 118.660 119.914 0.001 0.000 2.548 166 V HA -0.148 3.971 4.120 -0.000 0.000 0.249 166 V C 1.899 177.995 176.094 0.003 0.000 1.055 166 V CA 1.219 63.520 62.300 0.002 0.000 1.065 166 V CB -0.253 31.571 31.823 0.002 0.000 0.681 166 V HN 0.164 nan 8.190 nan 0.000 0.462 167 V N -0.528 119.388 119.914 0.003 0.000 2.535 167 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 167 V C 2.382 178.479 176.094 0.005 0.000 1.045 167 V CA 1.235 63.538 62.300 0.005 0.000 1.058 167 V CB -0.030 31.795 31.823 0.004 0.000 0.689 167 V HN 0.393 nan 8.190 nan 0.000 0.461 168 V N 1.091 121.007 119.914 0.004 0.000 2.295 168 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 168 V C 2.094 178.191 176.094 0.004 0.000 1.049 168 V CA 2.526 64.829 62.300 0.004 0.000 1.024 168 V CB -1.057 30.767 31.823 0.001 0.000 0.648 168 V HN 0.629 nan 8.190 nan 0.000 0.447 169 N N -0.227 118.475 118.700 0.003 0.000 2.166 169 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 169 N C 1.973 177.488 175.510 0.009 0.000 1.019 169 N CA 0.812 53.864 53.050 0.003 0.000 0.856 169 N CB -0.120 38.368 38.487 0.002 0.000 0.993 169 N HN 0.284 nan 8.380 nan 0.000 0.426 170 K N 1.379 121.785 120.400 0.010 0.000 2.103 170 K HA 0.026 4.346 4.320 -0.000 0.000 0.204 170 K C 1.843 178.454 176.600 0.018 0.000 1.052 170 K CA 0.766 57.061 56.287 0.014 0.000 0.945 170 K CB -0.085 32.422 32.500 0.011 0.000 0.722 170 K HN 0.123 nan 8.250 nan 0.000 0.443 171 A N 0.735 123.564 122.820 0.015 0.000 1.968 171 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 171 A C 2.278 179.877 177.584 0.024 0.000 1.169 171 A CA 1.565 53.613 52.037 0.018 0.000 0.638 171 A CB -0.413 18.595 19.000 0.013 0.000 0.812 171 A HN 0.330 nan 8.150 nan 0.000 0.446 172 A N -0.417 122.414 122.820 0.019 0.000 1.972 172 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 172 A C 2.149 179.760 177.584 0.044 0.000 1.169 172 A CA 1.741 53.790 52.037 0.019 0.000 0.635 172 A CB -0.737 18.263 19.000 -0.001 0.000 0.810 172 A HN 0.364 nan 8.150 nan 0.000 0.446 173 V N -0.644 119.300 119.914 0.049 0.000 2.453 173 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 173 V C 2.513 178.663 176.094 0.094 0.000 1.048 173 V CA 2.059 64.410 62.300 0.085 0.000 1.049 173 V CB -0.577 31.282 31.823 0.059 0.000 0.672 173 V HN 0.657 nan 8.190 nan 0.000 0.457 174 M N -0.497 119.138 119.600 0.058 0.000 2.254 174 M HA -0.093 4.387 4.480 -0.000 0.000 0.265 174 M C 2.000 178.328 176.300 0.046 0.000 1.066 174 M CA 1.386 56.710 55.300 0.041 0.000 1.123 174 M CB 0.054 32.670 32.600 0.027 0.000 1.388 174 M HN 0.235 nan 8.290 nan 0.000 0.425 175 V N -0.670 119.279 119.914 0.059 0.000 2.453 175 V HA -0.261 3.858 4.120 -0.000 0.000 0.247 175 V C 2.237 178.389 176.094 0.096 0.000 1.048 175 V CA 1.970 64.306 62.300 0.060 0.000 1.049 175 V CB -1.101 30.752 31.823 0.050 0.000 0.672 175 V HN 0.533 nan 8.190 nan 0.000 0.457 176 H N 0.622 119.690 119.070 -0.004 0.000 2.353 176 H HA -0.125 4.431 4.556 -0.000 0.000 0.300 176 H C 2.309 177.638 175.328 0.003 0.000 1.090 176 H CA 1.755 57.797 56.048 -0.009 0.000 1.327 176 H CB -0.034 29.717 29.762 -0.017 0.000 1.383 176 H HN 0.306 nan 8.280 nan 0.000 0.508 177 Q N -0.013 119.746 119.800 -0.067 0.000 2.224 177 Q HA -0.052 4.287 4.340 -0.000 0.000 0.203 177 Q C 2.571 178.526 176.000 -0.075 0.000 0.970 177 Q CA 0.867 56.595 55.803 -0.124 0.000 0.865 177 Q CB -0.022 28.684 28.738 -0.053 0.000 0.922 177 Q HN 0.521 nan 8.270 nan 0.000 0.445 178 L N 0.719 121.925 121.223 -0.028 0.000 2.341 178 L HA -0.055 4.284 4.340 -0.000 0.000 0.214 178 L C 2.229 179.091 176.870 -0.013 0.000 1.115 178 L CA 0.957 55.787 54.840 -0.016 0.000 0.820 178 L CB -0.284 41.776 42.059 0.002 0.000 0.944 178 L HN 0.177 nan 8.230 nan 0.000 0.452 179 S N -1.057 114.643 115.700 0.001 0.000 2.522 179 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 179 S C 1.694 176.300 174.600 0.011 0.000 0.986 179 S CA 0.267 58.485 58.200 0.029 0.000 0.929 179 S CB -0.109 63.143 63.200 0.086 0.000 0.769 179 S HN 0.365 nan 8.310 nan 0.000 0.529 180 K N 0.945 121.321 120.400 -0.041 0.000 2.365 180 K HA 0.157 4.477 4.320 -0.000 0.000 0.197 180 K C 1.851 178.430 176.600 -0.035 0.000 1.042 180 K CA 0.300 56.560 56.287 -0.045 0.000 0.987 180 K CB 0.084 32.524 32.500 -0.100 0.000 0.779 180 K HN 0.394 nan 8.250 nan 0.000 0.484 181 K N 0.527 120.902 120.400 -0.042 0.000 2.260 181 K HA -0.062 4.257 4.320 -0.000 0.000 0.191 181 K C 1.199 177.756 176.600 -0.071 0.000 1.076 181 K CA 0.936 57.193 56.287 -0.049 0.000 1.077 181 K CB 0.397 32.869 32.500 -0.047 0.000 1.423 181 K HN -0.143 nan 8.250 nan 0.000 0.462 182 E N -2.437 117.691 120.200 -0.121 0.000 2.628 182 E HA 0.094 4.444 4.350 -0.000 0.000 0.275 182 E C 1.197 177.555 176.600 -0.403 0.000 1.118 182 E CA 0.578 56.837 56.400 -0.235 0.000 1.989 182 E CB -0.418 29.192 29.700 -0.149 0.000 2.738 182 E HN 0.345 nan 8.360 nan 0.000 1.053 183 A N 1.322 124.022 122.820 -0.201 0.000 2.014 183 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 183 A C 2.041 179.590 177.584 -0.058 0.000 1.163 183 A CA 2.183 54.159 52.037 -0.102 0.000 0.652 183 A CB -0.399 18.588 19.000 -0.021 0.000 0.808 183 A HN 0.277 nan 8.150 nan 0.000 0.449 184 S N -0.948 114.713 115.700 -0.066 0.000 2.496 184 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 184 S C 1.855 176.442 174.600 -0.021 0.000 0.996 184 S CA 0.699 58.883 58.200 -0.027 0.000 0.927 184 S CB -0.223 62.964 63.200 -0.021 0.000 0.774 184 S HN 0.600 nan 8.310 nan 0.000 0.524 185 R N 0.503 120.961 120.500 -0.070 0.000 2.127 185 R HA 0.074 4.413 4.340 -0.000 0.000 0.217 185 R C 1.872 178.188 176.300 0.027 0.000 1.074 185 R CA 0.999 57.082 56.100 -0.028 0.000 0.991 185 R CB -0.299 29.970 30.300 -0.053 0.000 0.895 185 R HN 0.635 nan 8.270 nan 0.000 0.450 186 H N -0.899 118.137 119.070 -0.057 0.000 2.462 186 H HA 0.027 4.582 4.556 -0.001 0.000 0.292 186 H C 1.885 177.186 175.328 -0.044 0.000 1.049 186 H CA 0.644 56.635 56.048 -0.095 0.000 1.334 186 H CB 0.301 29.989 29.762 -0.123 0.000 1.404 186 H HN 0.326 nan 8.280 nan 0.000 0.544 187 A N 0.838 123.714 122.820 0.093 0.000 1.930 187 A HA -0.063 4.256 4.320 -0.000 0.000 0.215 187 A C 2.248 179.859 177.584 0.045 0.000 1.176 187 A CA 0.754 52.823 52.037 0.053 0.000 0.632 187 A CB -0.390 18.631 19.000 0.035 0.000 0.819 187 A HN 0.272 nan 8.150 nan 0.000 0.445 188 I N -0.785 119.814 120.570 0.049 0.000 2.286 188 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 188 I C 2.661 178.811 176.117 0.055 0.000 1.115 188 I CA 1.705 63.034 61.300 0.048 0.000 1.392 188 I CB -0.178 37.854 38.000 0.053 0.000 1.065 188 I HN 0.446 nan 8.210 nan 0.000 0.418 189 M N 0.107 119.749 119.600 0.070 0.000 2.319 189 M HA -0.162 4.318 4.480 -0.000 0.000 0.265 189 M C 2.087 178.415 176.300 0.046 0.000 1.068 189 M CA 1.559 56.903 55.300 0.072 0.000 1.118 189 M CB 0.057 32.716 32.600 0.098 0.000 1.395 189 M HN -0.036 nan 8.290 nan 0.000 0.435 190 R N 0.522 121.043 120.500 0.035 0.000 2.276 190 R HA 0.090 4.430 4.340 -0.000 0.000 0.196 190 R C 0.044 176.356 176.300 0.019 0.000 0.961 190 R CA 0.565 56.677 56.100 0.019 0.000 1.024 190 R CB 0.225 30.532 30.300 0.011 0.000 0.940 190 R HN 0.384 nan 8.270 nan 0.000 0.480 191 S N -0.851 114.864 115.700 0.024 0.000 2.498 191 S HA 0.388 4.858 4.470 -0.000 0.000 0.324 191 S C -2.301 172.312 174.600 0.021 0.000 1.071 191 S CA -1.530 56.682 58.200 0.020 0.000 1.113 191 S CB 2.067 65.278 63.200 0.018 0.000 0.976 191 S HN -0.144 nan 8.310 nan 0.000 0.462 192 P HA -0.079 nan 4.420 nan 0.000 0.222 192 P C 1.247 178.554 177.300 0.011 0.000 1.147 192 P CA 0.938 64.047 63.100 0.016 0.000 0.790 192 P CB 0.109 31.817 31.700 0.013 0.000 0.780 193 Q N -1.463 118.344 119.800 0.010 0.000 2.083 193 Q HA -0.110 4.230 4.340 -0.000 0.000 0.198 193 Q C 2.101 178.106 176.000 0.009 0.000 0.969 193 Q CA 1.197 57.005 55.803 0.007 0.000 0.838 193 Q CB -0.551 28.191 28.738 0.007 0.000 0.900 193 Q HN 0.201 nan 8.270 nan 0.000 0.436 194 M N 0.537 120.145 119.600 0.014 0.000 2.099 194 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 194 M C 1.879 178.190 176.300 0.018 0.000 1.067 194 M CA 1.456 56.766 55.300 0.017 0.000 1.124 194 M CB -0.162 32.451 32.600 0.022 0.000 1.353 194 M HN -0.021 nan 8.290 nan 0.000 0.410 195 V N 0.283 120.210 119.914 0.021 0.000 2.427 195 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 195 V C 2.447 178.549 176.094 0.013 0.000 1.051 195 V CA 1.843 64.157 62.300 0.023 0.000 1.048 195 V CB -1.578 30.264 31.823 0.032 0.000 0.666 195 V HN 0.742 nan 8.190 nan 0.000 0.456 196 S N 0.804 116.508 115.700 0.007 0.000 2.461 196 S HA 0.043 4.513 4.470 -0.000 0.000 0.228 196 S C 1.974 176.573 174.600 -0.002 0.000 1.005 196 S CA 0.947 59.146 58.200 -0.002 0.000 0.942 196 S CB -0.185 63.011 63.200 -0.008 0.000 0.776 196 S HN 0.539 nan 8.310 nan 0.000 0.514 197 A N 1.902 124.724 122.820 0.003 0.000 1.930 197 A HA 0.288 4.608 4.320 -0.000 0.000 0.215 197 A C 2.118 179.703 177.584 0.003 0.000 1.176 197 A CA 0.840 52.878 52.037 0.002 0.000 0.632 197 A CB -0.640 18.363 19.000 0.005 0.000 0.819 197 A HN 0.523 nan 8.150 nan 0.000 0.445 198 I N -0.406 120.168 120.570 0.006 0.000 2.252 198 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 198 I C 2.317 178.434 176.117 0.000 0.000 1.102 198 I CA 1.043 62.346 61.300 0.004 0.000 1.385 198 I CB -0.243 37.764 38.000 0.011 0.000 1.064 198 I HN 0.138 nan 8.210 nan 0.000 0.414 199 V N 0.572 120.488 119.914 0.002 0.000 2.358 199 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 199 V C 2.593 178.686 176.094 -0.003 0.000 1.047 199 V CA 1.776 64.076 62.300 0.001 0.000 1.035 199 V CB -0.727 31.095 31.823 -0.001 0.000 0.658 199 V HN 0.367 nan 8.190 nan 0.000 0.452 200 R N -0.293 120.204 120.500 -0.005 0.000 2.096 200 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 200 R C 2.339 178.636 176.300 -0.005 0.000 1.127 200 R CA 1.974 58.070 56.100 -0.006 0.000 0.968 200 R CB -0.340 29.956 30.300 -0.007 0.000 0.861 200 R HN 0.546 nan 8.270 nan 0.000 0.440 201 T N 0.710 115.262 114.554 -0.004 0.000 2.821 201 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 201 T C 1.659 176.355 174.700 -0.006 0.000 1.046 201 T CA 1.306 63.403 62.100 -0.005 0.000 1.139 201 T CB -0.073 68.791 68.868 -0.005 0.000 0.871 201 T HN 0.242 nan 8.240 nan 0.000 0.454 202 M N 1.458 121.055 119.600 -0.006 0.000 2.067 202 M HA -0.159 4.320 4.480 -0.000 0.000 0.260 202 M C 2.345 178.645 176.300 0.000 0.000 1.069 202 M CA 1.653 56.950 55.300 -0.004 0.000 1.117 202 M CB -0.178 32.422 32.600 -0.000 0.000 1.334 202 M HN 0.269 nan 8.290 nan 0.000 0.407 203 Q N -1.310 118.491 119.800 0.001 0.000 2.415 203 Q HA 0.009 4.349 4.340 -0.000 0.000 0.206 203 Q C 0.313 176.313 176.000 0.000 0.000 0.946 203 Q CA 0.510 56.314 55.803 0.003 0.000 0.951 203 Q CB -0.027 28.713 28.738 0.003 0.000 1.026 203 Q HN 0.487 nan 8.270 nan 0.000 0.510 204 N N 0.035 118.734 118.700 -0.002 0.000 2.239 204 N HA 0.071 4.811 4.740 -0.000 0.000 0.208 204 N C -0.385 175.123 175.510 -0.003 0.000 1.200 204 N CA 0.257 53.306 53.050 -0.002 0.000 0.895 204 N CB 0.968 39.453 38.487 -0.003 0.000 1.085 204 N HN 0.075 nan 8.380 nan 0.000 0.500 205 T N 1.215 115.767 114.554 -0.004 0.000 2.910 205 T HA 0.153 4.503 4.350 -0.000 0.000 0.293 205 T C 1.067 175.764 174.700 -0.005 0.000 1.015 205 T CA -0.266 61.831 62.100 -0.005 0.000 1.094 205 T CB 0.652 69.516 68.868 -0.007 0.000 0.968 205 T HN 0.408 nan 8.240 nan 0.000 0.521 206 N N 0.007 118.704 118.700 -0.005 0.000 2.200 206 N HA 0.151 4.891 4.740 -0.000 0.000 0.224 206 N C -0.765 174.740 175.510 -0.008 0.000 1.179 206 N CA -0.485 52.562 53.050 -0.006 0.000 0.877 206 N CB 0.547 39.031 38.487 -0.005 0.000 1.072 206 N HN 0.408 nan 8.380 nan 0.000 0.519 207 D N 0.777 121.172 120.400 -0.008 0.000 2.233 207 D HA 0.079 4.718 4.640 -0.000 0.000 0.240 207 D C 1.491 177.784 176.300 -0.012 0.000 1.074 207 D CA -0.881 53.113 54.000 -0.009 0.000 0.838 207 D CB 1.995 42.791 40.800 -0.007 0.000 1.124 207 D HN 0.023 nan 8.370 nan 0.000 0.475 208 V N 2.027 121.932 119.914 -0.014 0.000 2.407 208 V HA -0.129 3.990 4.120 -0.000 0.000 0.248 208 V C 1.816 177.900 176.094 -0.016 0.000 1.055 208 V CA 1.520 63.810 62.300 -0.018 0.000 1.049 208 V CB -0.649 31.159 31.823 -0.024 0.000 0.662 208 V HN 0.682 nan 8.190 nan 0.000 0.455 209 E N 0.584 120.776 120.200 -0.012 0.000 2.204 209 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 209 E C 2.141 178.730 176.600 -0.019 0.000 0.989 209 E CA 1.703 58.098 56.400 -0.008 0.000 0.824 209 E CB -0.038 29.661 29.700 -0.001 0.000 0.756 209 E HN 0.734 nan 8.360 nan 0.000 0.477 210 T N 0.202 114.744 114.554 -0.020 0.000 2.937 210 T HA 0.051 4.401 4.350 -0.000 0.000 0.260 210 T C 1.854 176.529 174.700 -0.043 0.000 1.051 210 T CA 0.882 62.965 62.100 -0.029 0.000 1.141 210 T CB -0.065 68.793 68.868 -0.017 0.000 0.879 210 T HN 0.244 nan 8.240 nan 0.000 0.459 211 A N 2.646 125.449 122.820 -0.028 0.000 1.933 211 A HA -0.173 4.146 4.320 -0.000 0.000 0.218 211 A C 2.308 179.878 177.584 -0.024 0.000 1.175 211 A CA 1.770 53.794 52.037 -0.021 0.000 0.628 211 A CB -0.456 18.540 19.000 -0.006 0.000 0.814 211 A HN 0.667 nan 8.150 nan 0.000 0.444 212 R N -1.639 118.848 120.500 -0.021 0.000 2.161 212 R HA 0.046 4.386 4.340 -0.000 0.000 0.213 212 R C 1.963 178.129 176.300 -0.224 0.000 1.055 212 R CA 1.270 57.380 56.100 0.017 0.000 0.996 212 R CB -1.065 29.293 30.300 0.098 0.000 0.901 212 R HN 0.354 nan 8.270 nan 0.000 0.456 213 C N 0.895 120.029 119.300 -0.277 0.000 2.457 213 C HA 0.034 4.493 4.460 -0.000 0.000 0.278 213 C C 2.474 177.188 174.990 -0.459 0.000 1.309 213 C CA 1.182 59.878 59.018 -0.536 0.000 1.735 213 C CB -0.522 27.098 27.740 -0.201 0.000 1.992 213 C HN 0.605 nan 8.230 nan 0.000 0.493 214 T N 0.800 115.215 114.554 -0.231 0.000 2.809 214 T HA -0.020 4.329 4.350 -0.000 0.000 0.260 214 T C 2.086 176.693 174.700 -0.155 0.000 1.039 214 T CA 1.420 63.437 62.100 -0.139 0.000 1.141 214 T CB -0.335 68.492 68.868 -0.068 0.000 0.869 214 T HN 0.570 nan 8.240 nan 0.000 0.437 215 A N 1.187 123.907 122.820 -0.166 0.000 2.066 215 A HA 0.233 4.553 4.320 -0.000 0.000 0.218 215 A C 2.486 179.826 177.584 -0.406 0.000 1.157 215 A CA 1.516 53.477 52.037 -0.127 0.000 0.670 215 A CB -1.024 18.004 19.000 0.047 0.000 0.804 215 A HN 0.501 nan 8.150 nan 0.000 0.453 216 G N -1.245 107.060 108.800 -0.824 0.000 2.430 216 G HA2 -0.035 3.924 3.960 -0.000 0.000 0.216 216 G HA3 -0.035 3.924 3.960 -0.000 0.000 0.216 216 G C 1.494 176.229 174.900 -0.274 0.000 1.146 216 G CA 1.454 45.850 45.100 -1.174 0.000 0.793 216 G HN 0.414 nan 8.290 nan 0.000 0.537 217 T N 1.567 116.037 114.554 -0.140 0.000 2.737 217 T HA -0.006 4.344 4.350 -0.000 0.000 0.265 217 T C 2.410 177.141 174.700 0.051 0.000 1.038 217 T CA 0.721 62.853 62.100 0.053 0.000 1.144 217 T CB -0.214 68.676 68.868 0.037 0.000 0.866 217 T HN 0.128 nan 8.240 nan 0.000 0.434 218 L N 0.607 121.838 121.223 0.013 0.000 2.131 218 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 218 L C 2.708 179.612 176.870 0.056 0.000 1.092 218 L CA 1.343 56.207 54.840 0.041 0.000 0.759 218 L CB -0.774 41.307 42.059 0.036 0.000 0.903 218 L HN 0.464 nan 8.230 nan 0.000 0.435 219 H N 1.082 120.138 119.070 -0.024 0.000 2.321 219 H HA -0.163 4.393 4.556 -0.001 0.000 0.300 219 H C 1.743 177.111 175.328 0.067 0.000 1.087 219 H CA 2.060 58.124 56.048 0.028 0.000 1.319 219 H CB -0.094 29.720 29.762 0.086 0.000 1.379 219 H HN 0.461 nan 8.280 nan 0.000 0.501 220 N N 0.280 119.056 118.700 0.127 0.000 2.166 220 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 220 N C 2.194 177.806 175.510 0.170 0.000 1.019 220 N CA 0.983 54.151 53.050 0.196 0.000 0.856 220 N CB 0.081 38.699 38.487 0.219 0.000 0.993 220 N HN 0.305 nan 8.380 nan 0.000 0.426 221 L N 0.792 122.084 121.223 0.115 0.000 2.291 221 L HA -0.043 4.297 4.340 -0.000 0.000 0.214 221 L C 2.247 179.152 176.870 0.057 0.000 1.120 221 L CA 0.550 55.481 54.840 0.152 0.000 0.799 221 L CB -0.384 41.751 42.059 0.127 0.000 0.925 221 L HN 0.214 nan 8.230 nan 0.000 0.446 222 S N -2.056 113.584 115.700 -0.099 0.000 2.595 222 S HA -0.134 4.336 4.470 -0.000 0.000 0.235 222 S C 1.338 175.766 174.600 -0.287 0.000 0.974 222 S CA 0.530 58.621 58.200 -0.182 0.000 0.942 222 S CB -0.597 62.469 63.200 -0.224 0.000 0.766 222 S HN 0.532 nan 8.310 nan 0.000 0.536 223 H N 0.117 119.075 119.070 -0.187 0.000 2.562 223 H HA 0.268 4.823 4.556 -0.000 0.000 0.267 223 H C 0.430 175.544 175.328 -0.357 0.000 0.959 223 H CA 0.638 56.507 56.048 -0.298 0.000 1.204 223 H CB 0.225 29.730 29.762 -0.428 0.000 1.430 223 H HN 0.481 nan 8.280 nan 0.000 0.545 224 H N -0.413 118.729 119.070 0.121 0.000 2.533 224 H HA 0.208 4.764 4.556 -0.001 0.000 0.343 224 H C 1.057 176.409 175.328 0.039 0.000 1.160 224 H CA -0.470 55.628 56.048 0.083 0.000 1.218 224 H CB 1.883 31.714 29.762 0.114 0.000 1.566 224 H HN 0.141 nan 8.280 nan 0.000 0.522 225 R N 1.356 121.939 120.500 0.138 0.000 2.080 225 R HA -0.146 4.194 4.340 -0.000 0.000 0.236 225 R C 1.073 177.414 176.300 0.068 0.000 1.137 225 R CA 1.924 58.062 56.100 0.063 0.000 0.943 225 R CB 0.057 30.371 30.300 0.024 0.000 0.846 225 R HN 0.672 nan 8.270 nan 0.000 0.431 226 E N -0.832 119.409 120.200 0.068 0.000 2.204 226 E HA -0.090 4.259 4.350 -0.000 0.000 0.194 226 E C 1.822 178.473 176.600 0.086 0.000 0.989 226 E CA 0.983 57.416 56.400 0.056 0.000 0.824 226 E CB -0.115 29.596 29.700 0.019 0.000 0.756 226 E HN 0.625 nan 8.360 nan 0.000 0.477 227 G N 0.963 109.840 108.800 0.128 0.000 2.402 227 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 227 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 227 G C 1.532 176.493 174.900 0.101 0.000 1.162 227 G CA 0.386 45.567 45.100 0.135 0.000 0.777 227 G HN 0.096 nan 8.290 nan 0.000 0.539 228 L N -0.366 120.909 121.223 0.088 0.000 2.056 228 L HA 0.010 4.349 4.340 -0.000 0.000 0.207 228 L C 2.665 179.603 176.870 0.113 0.000 1.078 228 L CA 0.492 55.377 54.840 0.076 0.000 0.749 228 L CB -0.375 41.714 42.059 0.050 0.000 0.901 228 L HN 0.224 nan 8.230 nan 0.000 0.433 229 L N 0.041 121.327 121.223 0.105 0.000 2.056 229 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 229 L C 2.579 179.558 176.870 0.181 0.000 1.078 229 L CA 1.926 56.855 54.840 0.148 0.000 0.749 229 L CB -0.625 41.492 42.059 0.097 0.000 0.901 229 L HN 0.138 nan 8.230 nan 0.000 0.433 230 A N -0.406 122.486 122.820 0.121 0.000 1.930 230 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 230 A C 2.243 179.880 177.584 0.087 0.000 1.175 230 A CA 1.940 54.031 52.037 0.091 0.000 0.627 230 A CB -0.805 18.239 19.000 0.072 0.000 0.815 230 A HN 0.506 nan 8.150 nan 0.000 0.443 231 I N -1.958 118.676 120.570 0.106 0.000 2.252 231 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 231 I C 2.321 178.503 176.117 0.109 0.000 1.102 231 I CA 1.388 62.744 61.300 0.093 0.000 1.385 231 I CB -0.312 37.745 38.000 0.095 0.000 1.064 231 I HN 0.439 nan 8.210 nan 0.000 0.414 232 F N 2.064 122.024 119.950 0.015 0.000 2.075 232 F HA -0.194 4.333 4.527 0.000 0.000 0.297 232 F C 2.433 178.240 175.800 0.011 0.000 1.113 232 F CA 1.715 59.722 58.000 0.012 0.000 1.218 232 F CB -0.294 38.712 39.000 0.011 0.000 0.984 232 F HN -0.187 nan 8.300 nan 0.000 0.472 233 K N -0.132 120.244 120.400 -0.040 0.000 2.209 233 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 233 K C 1.701 178.218 176.600 -0.139 0.000 1.048 233 K CA 1.453 57.665 56.287 -0.125 0.000 0.940 233 K CB -0.429 32.084 32.500 0.022 0.000 0.729 233 K HN 0.393 nan 8.250 nan 0.000 0.451 234 S N -0.569 115.080 115.700 -0.084 0.000 2.622 234 S HA 0.195 4.664 4.470 -0.000 0.000 0.236 234 S C 0.939 175.492 174.600 -0.079 0.000 0.956 234 S CA 0.064 58.226 58.200 -0.064 0.000 0.971 234 S CB 0.419 63.607 63.200 -0.020 0.000 0.782 234 S HN 0.382 nan 8.310 nan 0.000 0.468 235 G N 0.572 109.288 108.800 -0.140 0.000 2.221 235 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.265 235 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.265 235 G C 0.855 175.718 174.900 -0.062 0.000 1.041 235 G CA 0.070 45.096 45.100 -0.123 0.000 0.807 235 G HN 0.912 nan 8.290 nan 0.000 0.502 236 G N -0.166 108.612 108.800 -0.037 0.000 2.443 236 G HA2 0.018 3.978 3.960 -0.000 0.000 0.219 236 G HA3 0.018 3.978 3.960 -0.000 0.000 0.219 236 G C 1.760 176.678 174.900 0.030 0.000 1.131 236 G CA 1.178 46.284 45.100 0.011 0.000 0.775 236 G HN 0.621 nan 8.290 nan 0.000 0.547 237 I N 1.306 121.898 120.570 0.036 0.000 2.142 237 I HA -0.108 4.062 4.170 -0.000 0.000 0.240 237 I C -0.238 175.902 176.117 0.039 0.000 1.078 237 I CA 1.057 62.393 61.300 0.059 0.000 1.343 237 I CB -0.761 37.301 38.000 0.102 0.000 1.046 237 I HN 0.129 nan 8.210 nan 0.000 0.405 238 P HA -0.084 nan 4.420 nan 0.000 0.223 238 P C 1.254 178.565 177.300 0.019 0.000 1.151 238 P CA 1.238 64.347 63.100 0.016 0.000 0.787 238 P CB 0.037 31.738 31.700 0.001 0.000 0.788 239 A N -0.539 122.291 122.820 0.018 0.000 1.897 239 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 239 A C 2.071 179.676 177.584 0.035 0.000 1.181 239 A CA 1.205 53.255 52.037 0.020 0.000 0.620 239 A CB -1.507 17.501 19.000 0.014 0.000 0.821 239 A HN 0.111 nan 8.150 nan 0.000 0.443 240 L N -0.487 120.764 121.223 0.047 0.000 2.141 240 L HA -0.110 4.229 4.340 -0.000 0.000 0.209 240 L C 2.405 179.317 176.870 0.069 0.000 1.094 240 L CA 0.645 55.525 54.840 0.066 0.000 0.763 240 L CB -0.409 41.698 42.059 0.079 0.000 0.908 240 L HN 0.215 nan 8.230 nan 0.000 0.437 241 V N 0.069 120.017 119.914 0.057 0.000 2.427 241 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 241 V C 2.557 178.681 176.094 0.049 0.000 1.051 241 V CA 1.726 64.059 62.300 0.054 0.000 1.048 241 V CB -0.503 31.347 31.823 0.044 0.000 0.666 241 V HN 0.441 nan 8.190 nan 0.000 0.456 242 K N -0.450 119.974 120.400 0.040 0.000 2.148 242 K HA -0.120 4.199 4.320 -0.000 0.000 0.204 242 K C 2.036 178.658 176.600 0.036 0.000 1.050 242 K CA 1.136 57.442 56.287 0.032 0.000 0.942 242 K CB -0.059 32.454 32.500 0.023 0.000 0.724 242 K HN 0.262 nan 8.250 nan 0.000 0.446 243 M N 0.939 120.567 119.600 0.046 0.000 2.557 243 M HA -0.054 4.426 4.480 -0.000 0.000 0.259 243 M C 1.633 177.971 176.300 0.063 0.000 1.086 243 M CA 0.946 56.277 55.300 0.051 0.000 1.096 243 M CB -0.369 32.270 32.600 0.065 0.000 1.424 243 M HN 0.172 nan 8.290 nan 0.000 0.488 244 L N -1.101 120.167 121.223 0.075 0.000 2.478 244 L HA 0.022 4.362 4.340 -0.000 0.000 0.223 244 L C 2.069 178.981 176.870 0.070 0.000 1.140 244 L CA 0.386 55.284 54.840 0.097 0.000 0.842 244 L CB -0.638 41.487 42.059 0.110 0.000 0.953 244 L HN 0.322 nan 8.230 nan 0.000 0.452 245 G N -0.663 108.164 108.800 0.044 0.000 3.088 245 G HA2 -0.021 3.938 3.960 -0.000 0.000 0.217 245 G HA3 -0.021 3.938 3.960 -0.000 0.000 0.217 245 G C 0.614 175.519 174.900 0.007 0.000 1.159 245 G CA 0.096 45.213 45.100 0.027 0.000 0.760 245 G HN 0.353 nan 8.290 nan 0.000 0.550 246 S N 1.001 116.700 115.700 -0.001 0.000 2.565 246 S HA 0.396 4.865 4.470 -0.000 0.000 0.274 246 S C -0.984 173.582 174.600 -0.055 0.000 1.309 246 S CA -1.076 57.109 58.200 -0.025 0.000 1.043 246 S CB 2.197 65.381 63.200 -0.027 0.000 0.939 246 S HN 0.056 nan 8.310 nan 0.000 0.504 247 P HA 0.057 nan 4.420 nan 0.000 0.233 247 P C -0.103 177.121 177.300 -0.127 0.000 1.167 247 P CA 0.183 63.234 63.100 -0.081 0.000 0.770 247 P CB -0.102 31.562 31.700 -0.059 0.000 0.837 248 V N 1.933 121.766 119.914 -0.134 0.000 2.530 248 V HA 0.046 4.166 4.120 -0.000 0.000 0.282 248 V C 1.503 177.417 176.094 -0.301 0.000 1.048 248 V CA 0.238 62.428 62.300 -0.182 0.000 0.997 248 V CB 0.633 32.376 31.823 -0.133 0.000 0.987 248 V HN -0.124 nan 8.190 nan 0.000 0.477 249 D N 2.452 122.587 120.400 -0.442 0.000 2.144 249 D HA -0.117 4.522 4.640 -0.000 0.000 0.200 249 D C 2.260 177.939 176.300 -1.036 0.000 0.978 249 D CA 1.738 55.227 54.000 -0.853 0.000 0.833 249 D CB 0.070 40.313 40.800 -0.929 0.000 0.961 249 D HN 0.742 nan 8.370 nan 0.000 0.470 250 S N -0.341 114.981 115.700 -0.631 0.000 2.368 250 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 250 S C 2.223 176.573 174.600 -0.416 0.000 1.029 250 S CA 0.912 58.765 58.200 -0.579 0.000 0.988 250 S CB -0.709 62.267 63.200 -0.374 0.000 0.838 250 S HN 0.086 nan 8.310 nan 0.000 0.462 251 V N 2.103 121.923 119.914 -0.156 0.000 2.343 251 V HA -0.098 4.022 4.120 -0.000 0.000 0.247 251 V C 2.557 178.690 176.094 0.065 0.000 1.051 251 V CA 1.755 64.088 62.300 0.054 0.000 1.036 251 V CB -0.858 30.974 31.823 0.015 0.000 0.654 251 V HN 0.447 nan 8.190 nan 0.000 0.451 252 L N -1.276 119.917 121.223 -0.051 0.000 2.046 252 L HA -0.156 4.183 4.340 -0.000 0.000 0.208 252 L C 2.464 179.523 176.870 0.315 0.000 1.077 252 L CA 1.669 56.551 54.840 0.069 0.000 0.747 252 L CB -0.327 41.672 42.059 -0.099 0.000 0.896 252 L HN 0.260 nan 8.230 nan 0.000 0.432 253 F N -1.099 118.817 119.950 -0.056 0.000 2.206 253 F HA -0.177 4.350 4.527 -0.001 0.000 0.298 253 F C 2.349 178.181 175.800 0.053 0.000 1.090 253 F CA 0.591 58.582 58.000 -0.015 0.000 1.323 253 F CB -1.295 37.592 39.000 -0.190 0.000 1.028 253 F HN 0.097 nan 8.300 nan 0.000 0.492 254 Y N -0.225 120.200 120.300 0.208 0.000 2.220 254 Y HA -0.121 4.429 4.550 -0.000 0.000 0.291 254 Y C 2.580 178.596 175.900 0.193 0.000 1.129 254 Y CA 0.691 58.873 58.100 0.136 0.000 1.161 254 Y CB -0.499 37.991 38.460 0.050 0.000 0.997 254 Y HN -0.004 nan 8.280 nan 0.000 0.522 255 A N 0.197 123.220 122.820 0.337 0.000 1.858 255 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 255 A C 2.093 179.807 177.584 0.217 0.000 1.190 255 A CA 1.910 54.089 52.037 0.237 0.000 0.617 255 A CB -0.973 18.140 19.000 0.189 0.000 0.827 255 A HN 0.447 nan 8.150 nan 0.000 0.443 256 I N -0.273 120.445 120.570 0.248 0.000 2.394 256 I HA -0.136 4.034 4.170 -0.000 0.000 0.251 256 I C 2.294 178.500 176.117 0.148 0.000 1.136 256 I CA 2.006 63.411 61.300 0.175 0.000 1.425 256 I CB -0.306 37.798 38.000 0.173 0.000 1.079 256 I HN 0.305 nan 8.210 nan 0.000 0.425 257 T N -0.565 114.117 114.554 0.212 0.000 2.857 257 T HA -0.111 4.238 4.350 -0.000 0.000 0.266 257 T C 1.789 176.592 174.700 0.173 0.000 1.048 257 T CA 1.883 64.113 62.100 0.217 0.000 1.139 257 T CB -0.365 68.711 68.868 0.346 0.000 0.874 257 T HN 0.349 nan 8.240 nan 0.000 0.455 258 T N 2.457 117.116 114.554 0.176 0.000 2.737 258 T HA 0.089 4.439 4.350 -0.000 0.000 0.265 258 T C 1.993 176.736 174.700 0.071 0.000 1.038 258 T CA 0.783 62.938 62.100 0.091 0.000 1.144 258 T CB -0.424 68.515 68.868 0.118 0.000 0.866 258 T HN 0.215 nan 8.240 nan 0.000 0.434 259 L N 0.115 121.398 121.223 0.100 0.000 2.083 259 L HA -0.139 4.200 4.340 -0.000 0.000 0.209 259 L C 2.640 179.549 176.870 0.064 0.000 1.083 259 L CA 1.420 56.307 54.840 0.078 0.000 0.752 259 L CB -0.588 41.521 42.059 0.083 0.000 0.899 259 L HN 0.467 nan 8.230 nan 0.000 0.433 260 H N 0.265 119.314 119.070 -0.035 0.000 2.321 260 H HA -0.149 4.406 4.556 -0.000 0.000 0.300 260 H C 1.878 177.129 175.328 -0.129 0.000 1.087 260 H CA 1.690 57.690 56.048 -0.080 0.000 1.319 260 H CB 0.327 30.047 29.762 -0.069 0.000 1.379 260 H HN 0.331 nan 8.280 nan 0.000 0.501 261 N N 0.687 119.309 118.700 -0.131 0.000 2.289 261 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 261 N C 2.217 177.601 175.510 -0.210 0.000 1.016 261 N CA 0.595 53.514 53.050 -0.219 0.000 0.872 261 N CB -0.246 38.174 38.487 -0.112 0.000 0.973 261 N HN 0.384 nan 8.380 nan 0.000 0.433 262 L N 0.106 121.256 121.223 -0.121 0.000 2.068 262 L HA 0.011 4.351 4.340 -0.000 0.000 0.204 262 L C 2.014 178.798 176.870 -0.144 0.000 1.076 262 L CA 0.604 55.392 54.840 -0.086 0.000 0.753 262 L CB -0.292 41.764 42.059 -0.004 0.000 0.910 262 L HN 0.089 nan 8.230 nan 0.000 0.439 263 L N -0.665 120.468 121.223 -0.150 0.000 2.191 263 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 263 L C 2.301 179.024 176.870 -0.244 0.000 1.103 263 L CA 0.965 55.713 54.840 -0.154 0.000 0.769 263 L CB -0.263 41.735 42.059 -0.102 0.000 0.908 263 L HN 0.299 nan 8.230 nan 0.000 0.438 264 L N -1.425 119.543 121.223 -0.425 0.000 2.168 264 L HA -0.057 4.283 4.340 -0.000 0.000 0.203 264 L C 1.736 178.299 176.870 -0.512 0.000 1.078 264 L CA 0.643 55.124 54.840 -0.598 0.000 0.780 264 L CB -0.158 41.278 42.059 -1.038 0.000 0.939 264 L HN 0.364 nan 8.230 nan 0.000 0.451 265 H N -1.963 117.027 119.070 -0.133 0.000 2.674 265 H HA 0.311 4.867 4.556 -0.001 0.000 0.274 265 H C -0.410 174.848 175.328 -0.116 0.000 1.121 265 H CA -0.066 55.918 56.048 -0.107 0.000 1.132 265 H CB 0.674 30.382 29.762 -0.089 0.000 1.606 265 H HN 0.132 nan 8.280 nan 0.000 0.558 266 Q N 2.225 121.973 119.800 -0.087 0.000 2.290 266 Q HA 0.195 4.535 4.340 -0.000 0.000 0.269 266 Q C -0.813 175.027 176.000 -0.268 0.000 1.016 266 Q CA -0.656 55.039 55.803 -0.181 0.000 0.754 266 Q CB 1.550 30.162 28.738 -0.211 0.000 1.247 266 Q HN 0.442 nan 8.270 nan 0.000 0.451 267 E N 2.425 122.462 120.200 -0.271 0.000 2.384 267 E HA 0.446 4.796 4.350 -0.000 0.000 0.266 267 E C 0.522 176.873 176.600 -0.414 0.000 1.012 267 E CA 0.186 56.437 56.400 -0.249 0.000 0.901 267 E CB 0.606 30.213 29.700 -0.154 0.000 0.967 267 E HN 0.854 nan 8.360 nan 0.000 0.435 268 G N 2.444 111.096 108.800 -0.246 0.000 2.258 268 G HA2 -0.398 3.561 3.960 -0.000 0.000 0.233 268 G HA3 -0.398 3.561 3.960 -0.000 0.000 0.233 268 G C 1.095 175.961 174.900 -0.056 0.000 1.006 268 G CA 0.323 45.333 45.100 -0.150 0.000 0.620 268 G HN 0.859 nan 8.290 nan 0.000 0.511 269 A N 0.605 123.308 122.820 -0.194 0.000 1.940 269 A HA 0.063 4.383 4.320 -0.000 0.000 0.219 269 A C 2.165 179.763 177.584 0.024 0.000 1.176 269 A CA 2.360 54.382 52.037 -0.025 0.000 0.631 269 A CB -0.470 18.477 19.000 -0.089 0.000 0.814 269 A HN 0.555 nan 8.150 nan 0.000 0.446 270 K N -1.627 118.765 120.400 -0.013 0.000 2.009 270 K HA -0.175 4.144 4.320 -0.000 0.000 0.210 270 K C 2.080 178.695 176.600 0.026 0.000 1.049 270 K CA 1.750 58.039 56.287 0.002 0.000 0.929 270 K CB -0.295 32.200 32.500 -0.008 0.000 0.714 270 K HN 0.404 nan 8.250 nan 0.000 0.440 271 M N 0.970 120.591 119.600 0.035 0.000 2.117 271 M HA -0.076 4.403 4.480 -0.000 0.000 0.262 271 M C 2.027 178.367 176.300 0.066 0.000 1.065 271 M CA 1.460 56.788 55.300 0.046 0.000 1.114 271 M CB -0.440 32.189 32.600 0.049 0.000 1.361 271 M HN 0.181 nan 8.290 nan 0.000 0.408 272 A N -1.225 121.660 122.820 0.109 0.000 1.902 272 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 272 A C 2.200 179.832 177.584 0.080 0.000 1.181 272 A CA 1.946 54.056 52.037 0.122 0.000 0.623 272 A CB -1.148 17.991 19.000 0.232 0.000 0.818 272 A HN 0.344 nan 8.150 nan 0.000 0.443 273 V N -0.093 119.864 119.914 0.072 0.000 2.427 273 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 273 V C 2.637 178.754 176.094 0.037 0.000 1.051 273 V CA 2.123 64.454 62.300 0.052 0.000 1.048 273 V CB -0.789 31.060 31.823 0.044 0.000 0.666 273 V HN 0.519 nan 8.190 nan 0.000 0.456 274 R N -0.272 120.247 120.500 0.032 0.000 2.062 274 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 274 R C 2.306 178.620 176.300 0.023 0.000 1.136 274 R CA 1.416 57.530 56.100 0.023 0.000 0.948 274 R CB -0.470 29.841 30.300 0.018 0.000 0.845 274 R HN 0.389 nan 8.270 nan 0.000 0.430 275 L N 0.205 121.444 121.223 0.027 0.000 2.131 275 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 275 L C 2.338 179.220 176.870 0.020 0.000 1.092 275 L CA 0.990 55.843 54.840 0.022 0.000 0.759 275 L CB -0.367 41.706 42.059 0.025 0.000 0.903 275 L HN 0.249 nan 8.230 nan 0.000 0.435 276 A N -0.400 122.435 122.820 0.025 0.000 2.238 276 A HA 0.266 4.585 4.320 -0.000 0.000 0.208 276 A C 1.631 179.228 177.584 0.023 0.000 1.177 276 A CA 0.665 52.716 52.037 0.023 0.000 0.804 276 A CB -0.513 18.504 19.000 0.029 0.000 0.823 276 A HN 0.503 nan 8.150 nan 0.000 0.482 277 G N -1.624 107.189 108.800 0.022 0.000 2.225 277 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.264 277 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.264 277 G C 1.024 175.938 174.900 0.025 0.000 1.060 277 G CA 0.483 45.595 45.100 0.021 0.000 0.833 277 G HN 1.192 nan 8.290 nan 0.000 0.498 278 G N -0.381 108.436 108.800 0.028 0.000 2.448 278 G HA2 0.131 4.090 3.960 -0.000 0.000 0.218 278 G HA3 0.131 4.090 3.960 -0.000 0.000 0.218 278 G C 1.771 176.686 174.900 0.025 0.000 1.135 278 G CA 1.147 46.266 45.100 0.031 0.000 0.784 278 G HN 0.604 nan 8.290 nan 0.000 0.543 279 L N -0.275 120.959 121.223 0.019 0.000 2.027 279 L HA -0.097 4.242 4.340 -0.000 0.000 0.206 279 L C 3.091 179.970 176.870 0.016 0.000 1.074 279 L CA 1.169 56.017 54.840 0.012 0.000 0.745 279 L CB -0.407 41.657 42.059 0.009 0.000 0.898 279 L HN 0.135 nan 8.230 nan 0.000 0.433 280 Q N -0.134 119.677 119.800 0.019 0.000 2.124 280 Q HA -0.209 4.130 4.340 -0.000 0.000 0.202 280 Q C 2.211 178.229 176.000 0.028 0.000 0.977 280 Q CA 1.546 57.361 55.803 0.021 0.000 0.850 280 Q CB -0.105 28.645 28.738 0.020 0.000 0.901 280 Q HN 0.320 nan 8.270 nan 0.000 0.429 281 K N -0.445 119.975 120.400 0.033 0.000 2.116 281 K HA 0.039 4.359 4.320 -0.000 0.000 0.203 281 K C 1.934 178.568 176.600 0.057 0.000 1.052 281 K CA 0.892 57.207 56.287 0.046 0.000 0.952 281 K CB 0.054 32.584 32.500 0.050 0.000 0.729 281 K HN 0.198 nan 8.250 nan 0.000 0.446 282 M N 0.141 119.765 119.600 0.040 0.000 2.229 282 M HA -0.144 4.335 4.480 -0.000 0.000 0.264 282 M C 1.928 178.238 176.300 0.017 0.000 1.063 282 M CA 1.074 56.388 55.300 0.023 0.000 1.114 282 M CB 0.145 32.740 32.600 -0.008 0.000 1.387 282 M HN -0.055 nan 8.290 nan 0.000 0.420 283 V N -0.074 119.852 119.914 0.020 0.000 2.548 283 V HA -0.155 3.965 4.120 -0.000 0.000 0.249 283 V C 2.478 178.597 176.094 0.041 0.000 1.055 283 V CA 1.753 64.066 62.300 0.021 0.000 1.065 283 V CB -0.940 30.893 31.823 0.017 0.000 0.681 283 V HN 0.491 nan 8.190 nan 0.000 0.462 284 A N -0.429 122.422 122.820 0.051 0.000 2.066 284 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 284 A C 2.035 179.672 177.584 0.089 0.000 1.157 284 A CA 1.143 53.216 52.037 0.060 0.000 0.670 284 A CB -0.385 18.647 19.000 0.053 0.000 0.804 284 A HN 0.525 nan 8.150 nan 0.000 0.453 285 L N -0.421 120.874 121.223 0.120 0.000 2.599 285 L HA 0.095 4.435 4.340 -0.000 0.000 0.230 285 L C 1.489 178.494 176.870 0.225 0.000 1.141 285 L CA 0.017 54.985 54.840 0.214 0.000 0.877 285 L CB -0.154 42.103 42.059 0.330 0.000 1.009 285 L HN 0.343 nan 8.230 nan 0.000 0.447 286 L N 0.163 121.459 121.223 0.121 0.000 2.610 286 L HA -0.085 4.255 4.340 -0.000 0.000 0.232 286 L C 1.742 178.688 176.870 0.126 0.000 1.149 286 L CA 0.733 55.630 54.840 0.095 0.000 0.872 286 L CB -0.540 41.548 42.059 0.048 0.000 0.992 286 L HN 0.552 nan 8.230 nan 0.000 0.447 287 N N -1.363 117.416 118.700 0.130 0.000 2.336 287 N HA -0.014 4.726 4.740 -0.000 0.000 0.189 287 N C 0.621 176.214 175.510 0.139 0.000 1.113 287 N CA -0.232 52.892 53.050 0.123 0.000 0.858 287 N CB 0.365 38.904 38.487 0.087 0.000 0.970 287 N HN 0.081 nan 8.380 nan 0.000 0.471 288 K N 0.172 120.674 120.400 0.170 0.000 2.120 288 K HA 0.124 4.443 4.320 -0.000 0.000 0.245 288 K C 0.358 177.061 176.600 0.172 0.000 1.024 288 K CA 0.117 56.497 56.287 0.155 0.000 0.906 288 K CB 1.076 33.684 32.500 0.180 0.000 1.051 288 K HN -0.011 nan 8.250 nan 0.000 0.491 289 T N -0.442 114.195 114.554 0.138 0.000 2.971 289 T HA -0.022 4.327 4.350 -0.000 0.000 0.252 289 T C 0.583 175.312 174.700 0.049 0.000 1.022 289 T CA -0.194 62.002 62.100 0.160 0.000 0.980 289 T CB 0.056 69.033 68.868 0.182 0.000 1.044 289 T HN 0.426 nan 8.240 nan 0.000 0.501 290 N N 3.229 121.954 118.700 0.042 0.000 2.427 290 N HA -0.003 4.737 4.740 -0.000 0.000 0.269 290 N C 1.624 177.066 175.510 -0.114 0.000 1.235 290 N CA 0.047 53.080 53.050 -0.027 0.000 0.934 290 N CB 1.358 39.834 38.487 -0.017 0.000 1.121 290 N HN 0.155 nan 8.380 nan 0.000 0.480 291 V N 3.076 122.842 119.914 -0.247 0.000 2.407 291 V HA -0.170 3.949 4.120 -0.000 0.000 0.248 291 V C 1.981 177.898 176.094 -0.295 0.000 1.055 291 V CA 1.368 63.458 62.300 -0.351 0.000 1.049 291 V CB -0.482 31.091 31.823 -0.417 0.000 0.662 291 V HN 0.516 nan 8.190 nan 0.000 0.455 292 K N -0.282 119.908 120.400 -0.350 0.000 2.148 292 K HA -0.015 4.305 4.320 -0.000 0.000 0.204 292 K C 1.957 178.436 176.600 -0.201 0.000 1.050 292 K CA 1.722 57.869 56.287 -0.232 0.000 0.942 292 K CB -0.341 32.011 32.500 -0.247 0.000 0.724 292 K HN 0.596 nan 8.250 nan 0.000 0.446 293 F N 1.529 121.242 119.950 -0.396 0.000 2.128 293 F HA -0.084 4.443 4.527 -0.001 0.000 0.295 293 F C 1.610 177.262 175.800 -0.246 0.000 1.100 293 F CA 1.159 58.915 58.000 -0.407 0.000 1.260 293 F CB -0.169 38.522 39.000 -0.515 0.000 1.009 293 F HN -0.144 nan 8.300 nan 0.000 0.476 294 L N 0.107 121.143 121.223 -0.313 0.000 2.191 294 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 294 L C 2.736 179.417 176.870 -0.315 0.000 1.103 294 L CA 0.944 55.569 54.840 -0.357 0.000 0.769 294 L CB -1.103 40.802 42.059 -0.256 0.000 0.908 294 L HN 0.305 nan 8.230 nan 0.000 0.438 295 A N 0.264 122.948 122.820 -0.226 0.000 1.898 295 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 295 A C 2.159 179.581 177.584 -0.270 0.000 1.181 295 A CA 1.130 53.077 52.037 -0.150 0.000 0.620 295 A CB -0.333 18.681 19.000 0.025 0.000 0.819 295 A HN 0.229 nan 8.150 nan 0.000 0.442 296 I N 0.145 120.486 120.570 -0.382 0.000 2.202 296 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 296 I C 2.495 178.308 176.117 -0.505 0.000 1.091 296 I CA 1.987 62.944 61.300 -0.571 0.000 1.368 296 I CB -1.965 35.720 38.000 -0.525 0.000 1.058 296 I HN 0.238 nan 8.210 nan 0.000 0.410 297 T N 0.580 114.810 114.554 -0.539 0.000 2.746 297 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 297 T C 1.869 176.402 174.700 -0.278 0.000 1.039 297 T CA 1.944 63.773 62.100 -0.452 0.000 1.142 297 T CB -0.351 68.116 68.868 -0.668 0.000 0.866 297 T HN 0.334 nan 8.240 nan 0.000 0.444 298 T N 1.311 115.704 114.554 -0.268 0.000 2.904 298 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 298 T C 1.727 176.323 174.700 -0.173 0.000 1.059 298 T CA 1.115 63.102 62.100 -0.188 0.000 1.137 298 T CB -0.338 68.427 68.868 -0.173 0.000 0.879 298 T HN 0.319 nan 8.240 nan 0.000 0.467 299 D N 0.151 120.434 120.400 -0.195 0.000 2.183 299 D HA -0.042 4.598 4.640 -0.000 0.000 0.203 299 D C 2.053 178.322 176.300 -0.051 0.000 0.969 299 D CA 0.483 54.401 54.000 -0.136 0.000 0.842 299 D CB -0.329 40.420 40.800 -0.085 0.000 0.957 299 D HN 0.324 nan 8.370 nan 0.000 0.484 300 C N -0.166 119.106 119.300 -0.046 0.000 2.440 300 C HA -0.010 4.450 4.460 -0.000 0.000 0.278 300 C C 2.753 177.723 174.990 -0.032 0.000 1.295 300 C CA 0.239 59.255 59.018 -0.003 0.000 1.738 300 C CB -1.051 26.675 27.740 -0.023 0.000 1.987 300 C HN 0.413 nan 8.230 nan 0.000 0.492 301 L N 0.355 121.543 121.223 -0.060 0.000 2.141 301 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 301 L C 2.886 179.733 176.870 -0.038 0.000 1.094 301 L CA 1.176 55.989 54.840 -0.046 0.000 0.763 301 L CB -0.745 41.280 42.059 -0.055 0.000 0.908 301 L HN 0.432 nan 8.230 nan 0.000 0.437 302 Q N 0.917 120.679 119.800 -0.062 0.000 2.046 302 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 302 Q C 2.282 178.268 176.000 -0.023 0.000 0.975 302 Q CA 1.734 57.500 55.803 -0.062 0.000 0.836 302 Q CB -0.082 28.575 28.738 -0.135 0.000 0.896 302 Q HN 0.533 nan 8.270 nan 0.000 0.428 303 I N 0.750 121.296 120.570 -0.039 0.000 2.286 303 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 303 I C 2.315 178.446 176.117 0.023 0.000 1.115 303 I CA 0.899 62.184 61.300 -0.024 0.000 1.392 303 I CB -0.224 37.743 38.000 -0.056 0.000 1.065 303 I HN 0.151 nan 8.210 nan 0.000 0.418 304 L N 0.164 121.393 121.223 0.011 0.000 2.240 304 L HA -0.039 4.300 4.340 -0.000 0.000 0.211 304 L C 2.618 179.501 176.870 0.023 0.000 1.106 304 L CA 0.900 55.749 54.840 0.015 0.000 0.793 304 L CB -0.463 41.599 42.059 0.004 0.000 0.927 304 L HN 0.197 nan 8.230 nan 0.000 0.446 305 A N -1.285 121.554 122.820 0.031 0.000 2.081 305 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 305 A C 0.809 178.421 177.584 0.046 0.000 1.158 305 A CA -0.087 51.966 52.037 0.026 0.000 0.724 305 A CB -0.410 18.599 19.000 0.016 0.000 0.826 305 A HN 0.290 nan 8.150 nan 0.000 0.463 306 Y N 1.626 121.897 120.300 -0.048 0.000 2.804 306 Y HA 0.280 4.830 4.550 -0.001 0.000 0.338 306 Y C 1.449 177.323 175.900 -0.043 0.000 1.252 306 Y CA 0.585 58.655 58.100 -0.050 0.000 1.576 306 Y CB -0.321 38.105 38.460 -0.057 0.000 1.223 306 Y HN 0.504 nan 8.280 nan 0.000 0.536 307 G N 4.363 112.817 108.800 -0.578 0.000 2.180 307 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.263 307 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.263 307 G C 0.182 174.942 174.900 -0.233 0.000 0.989 307 G CA 0.393 45.197 45.100 -0.495 0.000 0.692 307 G HN 0.769 nan 8.290 nan 0.000 0.526 308 N N 0.161 118.774 118.700 -0.146 0.000 2.564 308 N HA 0.265 5.005 4.740 -0.000 0.000 0.248 308 N C 1.199 176.673 175.510 -0.061 0.000 0.986 308 N CA -0.554 52.446 53.050 -0.082 0.000 0.921 308 N CB 0.695 39.153 38.487 -0.048 0.000 1.136 308 N HN 0.121 nan 8.380 nan 0.000 0.509 309 Q N 1.257 121.021 119.800 -0.060 0.000 2.170 309 Q HA -0.171 4.169 4.340 -0.000 0.000 0.203 309 Q C 0.915 176.897 176.000 -0.029 0.000 0.976 309 Q CA 1.427 57.203 55.803 -0.044 0.000 0.858 309 Q CB 0.331 29.043 28.738 -0.043 0.000 0.907 309 Q HN 0.638 nan 8.270 nan 0.000 0.433 310 E N 0.153 120.338 120.200 -0.026 0.000 2.072 310 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 310 E C 1.870 178.463 176.600 -0.012 0.000 0.985 310 E CA 1.629 58.019 56.400 -0.016 0.000 0.801 310 E CB -0.135 29.556 29.700 -0.014 0.000 0.750 310 E HN 0.309 nan 8.360 nan 0.000 0.452 311 S N -0.190 115.503 115.700 -0.013 0.000 2.453 311 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 311 S C 1.745 176.341 174.600 -0.007 0.000 1.005 311 S CA 0.734 58.930 58.200 -0.007 0.000 0.949 311 S CB -0.177 63.020 63.200 -0.005 0.000 0.774 311 S HN 0.171 nan 8.310 nan 0.000 0.510 312 K N 0.859 121.252 120.400 -0.012 0.000 2.167 312 K HA 0.216 4.536 4.320 -0.000 0.000 0.203 312 K C 1.882 178.478 176.600 -0.007 0.000 1.052 312 K CA 0.834 57.115 56.287 -0.010 0.000 0.956 312 K CB -0.324 32.166 32.500 -0.017 0.000 0.735 312 K HN 0.354 nan 8.250 nan 0.000 0.451 313 L N 0.722 121.940 121.223 -0.008 0.000 2.240 313 L HA -0.066 4.274 4.340 -0.000 0.000 0.211 313 L C 2.114 178.984 176.870 -0.001 0.000 1.106 313 L CA 0.646 55.483 54.840 -0.005 0.000 0.793 313 L CB -0.131 41.924 42.059 -0.007 0.000 0.927 313 L HN 0.137 nan 8.230 nan 0.000 0.446 314 I N -0.377 120.192 120.570 -0.001 0.000 2.233 314 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 314 I C 2.321 178.441 176.117 0.004 0.000 1.093 314 I CA 1.295 62.597 61.300 0.003 0.000 1.380 314 I CB -0.099 37.904 38.000 0.003 0.000 1.067 314 I HN 0.121 nan 8.210 nan 0.000 0.413 315 I N 0.366 120.937 120.570 0.003 0.000 2.264 315 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 315 I C 2.492 178.613 176.117 0.006 0.000 1.111 315 I CA 1.260 62.562 61.300 0.003 0.000 1.382 315 I CB -0.219 37.781 38.000 -0.000 0.000 1.060 315 I HN 0.269 nan 8.210 nan 0.000 0.418 316 L N 1.012 122.238 121.223 0.004 0.000 2.072 316 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 316 L C 2.527 179.401 176.870 0.008 0.000 1.079 316 L CA 2.030 56.874 54.840 0.006 0.000 0.752 316 L CB -0.739 41.322 42.059 0.004 0.000 0.906 316 L HN 0.146 nan 8.230 nan 0.000 0.436 317 A N -0.793 122.031 122.820 0.007 0.000 1.972 317 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 317 A C 2.212 179.803 177.584 0.010 0.000 1.169 317 A CA 1.681 53.722 52.037 0.007 0.000 0.635 317 A CB -0.978 18.025 19.000 0.006 0.000 0.810 317 A HN 0.648 nan 8.150 nan 0.000 0.446 318 S N -1.720 113.987 115.700 0.011 0.000 2.634 318 S HA 0.413 4.883 4.470 -0.000 0.000 0.221 318 S C 1.143 175.753 174.600 0.017 0.000 0.952 318 S CA 0.778 58.987 58.200 0.014 0.000 0.930 318 S CB -0.451 62.758 63.200 0.015 0.000 0.780 318 S HN 1.907 nan 8.310 nan 0.000 0.498 319 G N 0.454 109.263 108.800 0.016 0.000 2.160 319 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 319 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 319 G C 0.867 175.779 174.900 0.020 0.000 1.022 319 G CA 0.099 45.210 45.100 0.018 0.000 0.741 319 G HN 0.867 nan 8.290 nan 0.000 0.508 320 G N 0.643 109.452 108.800 0.016 0.000 2.459 320 G HA2 -0.020 3.939 3.960 -0.000 0.000 0.217 320 G HA3 -0.020 3.939 3.960 -0.000 0.000 0.217 320 G C 0.148 175.058 174.900 0.016 0.000 1.183 320 G CA 1.731 46.839 45.100 0.014 0.000 0.776 320 G HN 0.531 nan 8.290 nan 0.000 0.552 321 P HA -0.150 nan 4.420 nan 0.000 0.215 321 P C 1.845 179.161 177.300 0.025 0.000 1.157 321 P CA 1.721 64.833 63.100 0.019 0.000 0.874 321 P CB 0.022 31.732 31.700 0.017 0.000 0.790 322 Q N -0.283 119.533 119.800 0.026 0.000 2.079 322 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 322 Q C 2.019 178.042 176.000 0.039 0.000 0.974 322 Q CA 2.028 57.849 55.803 0.030 0.000 0.840 322 Q CB -1.274 27.480 28.738 0.027 0.000 0.898 322 Q HN 0.097 nan 8.270 nan 0.000 0.430 323 A N -0.125 122.718 122.820 0.039 0.000 1.930 323 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 323 A C 2.063 179.682 177.584 0.058 0.000 1.175 323 A CA 1.336 53.404 52.037 0.051 0.000 0.627 323 A CB -0.639 18.388 19.000 0.045 0.000 0.815 323 A HN 0.437 nan 8.150 nan 0.000 0.443 324 L N -0.795 120.452 121.223 0.041 0.000 2.109 324 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 324 L C 2.429 179.330 176.870 0.052 0.000 1.086 324 L CA 0.692 55.554 54.840 0.037 0.000 0.760 324 L CB -0.420 41.648 42.059 0.015 0.000 0.910 324 L HN 0.213 nan 8.230 nan 0.000 0.437 325 V N 0.069 120.014 119.914 0.050 0.000 2.515 325 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 325 V C 2.028 178.163 176.094 0.069 0.000 1.058 325 V CA 1.806 64.140 62.300 0.057 0.000 1.064 325 V CB -0.710 31.141 31.823 0.046 0.000 0.675 325 V HN 0.502 nan 8.190 nan 0.000 0.461 326 N N -0.053 118.688 118.700 0.069 0.000 2.188 326 N HA -0.095 4.645 4.740 -0.000 0.000 0.184 326 N C 1.858 177.431 175.510 0.104 0.000 1.018 326 N CA 1.227 54.319 53.050 0.070 0.000 0.858 326 N CB -0.117 38.409 38.487 0.066 0.000 0.989 326 N HN 0.408 nan 8.380 nan 0.000 0.426 327 I N 0.949 121.616 120.570 0.162 0.000 2.226 327 I HA -0.238 3.931 4.170 -0.000 0.000 0.245 327 I C 2.092 178.357 176.117 0.246 0.000 1.100 327 I CA 0.834 62.310 61.300 0.295 0.000 1.374 327 I CB -0.071 38.056 38.000 0.213 0.000 1.057 327 I HN 0.193 nan 8.210 nan 0.000 0.413 328 M N 0.514 120.201 119.600 0.146 0.000 2.213 328 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 328 M C 2.099 178.558 176.300 0.265 0.000 1.062 328 M CA 1.645 57.030 55.300 0.142 0.000 1.105 328 M CB -1.051 31.615 32.600 0.109 0.000 1.385 328 M HN 0.372 nan 8.290 nan 0.000 0.417 329 R N -1.876 118.718 120.500 0.155 0.000 2.362 329 R HA 0.199 4.539 4.340 -0.000 0.000 0.227 329 R C 1.070 177.378 176.300 0.013 0.000 0.905 329 R CA 0.522 56.682 56.100 0.100 0.000 1.067 329 R CB -0.313 30.019 30.300 0.054 0.000 1.078 329 R HN 0.091 nan 8.270 nan 0.000 0.516 330 T N -0.512 114.013 114.554 -0.048 0.000 3.056 330 T HA 0.174 4.524 4.350 -0.000 0.000 0.241 330 T C -0.188 174.264 174.700 -0.413 0.000 1.006 330 T CA 0.414 62.339 62.100 -0.292 0.000 1.115 330 T CB -0.037 68.534 68.868 -0.495 0.000 0.939 330 T HN 0.071 nan 8.240 nan 0.000 0.462 331 Y N 0.749 121.104 120.300 0.093 0.000 2.458 331 Y HA 0.446 4.996 4.550 -0.000 0.000 0.322 331 Y C 1.565 177.544 175.900 0.131 0.000 1.259 331 Y CA -0.572 57.590 58.100 0.103 0.000 1.302 331 Y CB 0.992 39.512 38.460 0.101 0.000 1.314 331 Y HN -0.160 nan 8.280 nan 0.000 0.509 332 T N -1.042 113.709 114.554 0.329 0.000 2.986 332 T HA 0.009 4.358 4.350 -0.000 0.000 0.264 332 T C -0.794 174.056 174.700 0.250 0.000 0.964 332 T CA -0.165 62.079 62.100 0.241 0.000 0.895 332 T CB -0.213 68.759 68.868 0.174 0.000 1.163 332 T HN 0.405 nan 8.240 nan 0.000 0.517 333 Y N 4.197 124.574 120.300 0.129 0.000 2.587 333 Y HA 0.181 4.731 4.550 -0.001 0.000 0.344 333 Y C 1.671 177.610 175.900 0.064 0.000 1.061 333 Y CA -1.199 56.945 58.100 0.073 0.000 1.370 333 Y CB 0.361 38.845 38.460 0.040 0.000 1.163 333 Y HN 0.023 nan 8.280 nan 0.000 0.527 334 E N 4.729 124.800 120.200 -0.214 0.000 2.086 334 E HA -0.314 4.035 4.350 -0.000 0.000 0.205 334 E C 1.412 177.884 176.600 -0.214 0.000 1.027 334 E CA 2.178 58.458 56.400 -0.200 0.000 0.830 334 E CB 0.158 29.738 29.700 -0.200 0.000 0.751 334 E HN 0.842 nan 8.360 nan 0.000 0.456 335 K N 0.029 120.131 120.400 -0.497 0.000 2.152 335 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 335 K C 2.232 178.837 176.600 0.009 0.000 1.048 335 K CA 1.244 57.417 56.287 -0.190 0.000 0.933 335 K CB -0.227 32.081 32.500 -0.320 0.000 0.721 335 K HN 0.115 nan 8.250 nan 0.000 0.447 336 L N 0.957 122.174 121.223 -0.009 0.000 2.095 336 L HA -0.058 4.282 4.340 -0.000 0.000 0.204 336 L C 1.754 178.634 176.870 0.016 0.000 1.080 336 L CA 1.389 56.267 54.840 0.062 0.000 0.759 336 L CB -0.256 41.884 42.059 0.134 0.000 0.914 336 L HN 0.077 nan 8.230 nan 0.000 0.439 337 L N -1.772 119.464 121.223 0.021 0.000 2.083 337 L HA -0.206 4.133 4.340 -0.000 0.000 0.209 337 L C 2.395 179.266 176.870 0.001 0.000 1.083 337 L CA 1.529 56.342 54.840 -0.044 0.000 0.752 337 L CB -0.820 41.158 42.059 -0.134 0.000 0.899 337 L HN 0.531 nan 8.230 nan 0.000 0.433 338 W N 1.103 122.328 121.300 -0.124 0.000 2.379 338 W HA -0.171 4.489 4.660 -0.000 0.000 0.307 338 W C 2.471 178.953 176.519 -0.062 0.000 1.200 338 W CA 1.936 59.227 57.345 -0.091 0.000 1.297 338 W CB -0.661 28.743 29.460 -0.093 0.000 1.140 338 W HN -0.067 nan 8.180 nan 0.000 0.507 339 T N 0.205 114.595 114.554 -0.274 0.000 2.788 339 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 339 T C 1.610 176.140 174.700 -0.283 0.000 1.044 339 T CA 2.296 64.117 62.100 -0.465 0.000 1.139 339 T CB -0.713 67.972 68.868 -0.305 0.000 0.867 339 T HN 0.158 nan 8.240 nan 0.000 0.454 340 T N 2.147 116.606 114.554 -0.158 0.000 2.777 340 T HA -0.102 4.247 4.350 -0.000 0.000 0.266 340 T C 2.494 177.142 174.700 -0.085 0.000 1.040 340 T CA 1.481 63.520 62.100 -0.102 0.000 1.141 340 T CB -0.413 68.424 68.868 -0.052 0.000 0.868 340 T HN 0.615 nan 8.240 nan 0.000 0.444 341 S N 1.946 117.597 115.700 -0.081 0.000 2.399 341 S HA -0.085 4.384 4.470 -0.000 0.000 0.231 341 S C 2.045 176.623 174.600 -0.037 0.000 1.022 341 S CA 0.637 58.819 58.200 -0.031 0.000 0.983 341 S CB -0.368 62.840 63.200 0.013 0.000 0.803 341 S HN 0.429 nan 8.310 nan 0.000 0.480 342 R N 0.567 120.984 120.500 -0.138 0.000 2.092 342 R HA 0.045 4.384 4.340 -0.000 0.000 0.231 342 R C 2.254 178.496 176.300 -0.095 0.000 1.119 342 R CA 1.370 57.380 56.100 -0.151 0.000 0.970 342 R CB -0.617 29.471 30.300 -0.354 0.000 0.864 342 R HN 0.375 nan 8.270 nan 0.000 0.440 343 V N 1.196 121.048 119.914 -0.103 0.000 2.379 343 V HA -0.173 3.946 4.120 -0.000 0.000 0.245 343 V C 2.219 178.300 176.094 -0.022 0.000 1.044 343 V CA 1.419 63.682 62.300 -0.060 0.000 1.036 343 V CB -0.356 31.426 31.823 -0.069 0.000 0.664 343 V HN 0.271 nan 8.190 nan 0.000 0.453 344 L N -0.053 121.161 121.223 -0.015 0.000 2.141 344 L HA -0.172 4.167 4.340 -0.000 0.000 0.209 344 L C 2.570 179.458 176.870 0.030 0.000 1.094 344 L CA 1.613 56.460 54.840 0.012 0.000 0.763 344 L CB -0.475 41.596 42.059 0.020 0.000 0.908 344 L HN 0.331 nan 8.230 nan 0.000 0.437 345 K N 0.058 120.481 120.400 0.039 0.000 2.025 345 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 345 K C 2.018 178.645 176.600 0.045 0.000 1.049 345 K CA 1.341 57.668 56.287 0.066 0.000 0.933 345 K CB 0.027 32.585 32.500 0.097 0.000 0.714 345 K HN 0.051 nan 8.250 nan 0.000 0.438 346 V N 1.819 121.756 119.914 0.039 0.000 2.343 346 V HA -0.244 3.875 4.120 -0.000 0.000 0.247 346 V C 2.216 178.323 176.094 0.022 0.000 1.051 346 V CA 1.618 63.948 62.300 0.050 0.000 1.036 346 V CB -0.331 31.536 31.823 0.073 0.000 0.654 346 V HN 0.331 nan 8.190 nan 0.000 0.451 347 L N 0.646 121.878 121.223 0.016 0.000 2.313 347 L HA -0.054 4.286 4.340 -0.000 0.000 0.214 347 L C 2.491 179.368 176.870 0.011 0.000 1.119 347 L CA 1.237 56.082 54.840 0.009 0.000 0.809 347 L CB -0.560 41.503 42.059 0.008 0.000 0.933 347 L HN 0.507 nan 8.230 nan 0.000 0.449 348 S N -0.475 115.237 115.700 0.020 0.000 2.515 348 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 348 S C 1.772 176.381 174.600 0.015 0.000 0.987 348 S CA 0.759 58.973 58.200 0.024 0.000 0.936 348 S CB -0.557 62.668 63.200 0.042 0.000 0.766 348 S HN 0.352 nan 8.310 nan 0.000 0.528 349 V N -0.853 119.064 119.914 0.004 0.000 3.052 349 V HA 0.233 4.352 4.120 -0.000 0.000 0.254 349 V C 1.382 177.467 176.094 -0.014 0.000 1.100 349 V CA 0.005 62.300 62.300 -0.009 0.000 1.112 349 V CB -1.421 30.387 31.823 -0.024 0.000 0.738 349 V HN 0.669 nan 8.190 nan 0.000 0.469 350 C N 3.353 122.645 119.300 -0.013 0.000 2.566 350 C HA 0.449 4.908 4.460 -0.000 0.000 0.393 350 C C 2.472 177.457 174.990 -0.008 0.000 1.309 350 C CA 0.347 59.356 59.018 -0.015 0.000 1.801 350 C CB -0.253 27.478 27.740 -0.014 0.000 2.493 350 C HN 0.764 nan 8.230 nan 0.000 0.575 351 S N 3.621 119.316 115.700 -0.010 0.000 2.465 351 S HA -0.156 4.314 4.470 -0.000 0.000 0.241 351 S C 1.525 176.123 174.600 -0.002 0.000 1.000 351 S CA 1.618 59.815 58.200 -0.005 0.000 0.964 351 S CB -0.401 62.794 63.200 -0.008 0.000 0.763 351 S HN 1.149 nan 8.310 nan 0.000 0.512 352 S N 0.934 116.632 115.700 -0.003 0.000 2.497 352 S HA 0.204 4.674 4.470 -0.000 0.000 0.221 352 S C 1.662 176.264 174.600 0.002 0.000 1.037 352 S CA -0.142 58.057 58.200 -0.000 0.000 0.920 352 S CB -0.500 62.698 63.200 -0.002 0.000 0.800 352 S HN 0.479 nan 8.310 nan 0.000 0.505 353 N N 1.883 120.584 118.700 0.002 0.000 2.300 353 N HA -0.002 4.738 4.740 -0.000 0.000 0.179 353 N C 1.751 177.267 175.510 0.010 0.000 1.016 353 N CA 0.715 53.768 53.050 0.005 0.000 0.876 353 N CB -0.164 38.325 38.487 0.004 0.000 0.979 353 N HN 0.506 nan 8.380 nan 0.000 0.432 354 K N 1.698 122.104 120.400 0.010 0.000 2.020 354 K HA -0.122 4.197 4.320 -0.000 0.000 0.212 354 K C -0.927 175.683 176.600 0.015 0.000 1.050 354 K CA 1.454 57.749 56.287 0.014 0.000 0.929 354 K CB -0.823 31.685 32.500 0.013 0.000 0.714 354 K HN 0.131 nan 8.250 nan 0.000 0.443 355 P HA -0.066 nan 4.420 nan 0.000 0.223 355 P C 0.957 178.264 177.300 0.013 0.000 1.151 355 P CA 1.408 64.516 63.100 0.012 0.000 0.787 355 P CB 0.027 31.733 31.700 0.010 0.000 0.788 356 A N 0.299 123.127 122.820 0.013 0.000 1.930 356 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 356 A C 2.290 179.884 177.584 0.017 0.000 1.175 356 A CA 1.069 53.114 52.037 0.013 0.000 0.627 356 A CB -1.436 17.571 19.000 0.012 0.000 0.815 356 A HN 0.111 nan 8.150 nan 0.000 0.443 357 I N -0.382 120.199 120.570 0.019 0.000 2.315 357 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 357 I C 2.232 178.364 176.117 0.024 0.000 1.117 357 I CA 0.872 62.186 61.300 0.023 0.000 1.404 357 I CB -0.222 37.794 38.000 0.026 0.000 1.071 357 I HN 0.140 nan 8.210 nan 0.000 0.419 358 V N 0.502 120.428 119.914 0.021 0.000 2.358 358 V HA -0.192 3.927 4.120 -0.000 0.000 0.246 358 V C 2.450 178.555 176.094 0.017 0.000 1.047 358 V CA 1.587 63.899 62.300 0.020 0.000 1.035 358 V CB -0.620 31.214 31.823 0.018 0.000 0.658 358 V HN 0.378 nan 8.190 nan 0.000 0.452 359 E N 0.758 120.967 120.200 0.015 0.000 2.153 359 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 359 E C 2.250 178.858 176.600 0.014 0.000 0.988 359 E CA 1.456 57.864 56.400 0.013 0.000 0.811 359 E CB -0.444 29.263 29.700 0.012 0.000 0.746 359 E HN 0.583 nan 8.360 nan 0.000 0.466 360 A N 0.218 123.049 122.820 0.017 0.000 2.168 360 A HA 0.189 4.509 4.320 -0.000 0.000 0.215 360 A C 1.625 179.222 177.584 0.021 0.000 1.152 360 A CA 1.188 53.237 52.037 0.020 0.000 0.716 360 A CB -0.229 18.785 19.000 0.023 0.000 0.794 360 A HN 0.293 nan 8.150 nan 0.000 0.465 361 G N -2.214 106.598 108.800 0.021 0.000 2.164 361 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.212 361 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.212 361 G C 1.048 175.966 174.900 0.030 0.000 1.031 361 G CA 0.467 45.580 45.100 0.021 0.000 0.730 361 G HN 1.165 nan 8.290 nan 0.000 0.501 362 G N -0.105 108.715 108.800 0.033 0.000 2.422 362 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.218 362 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.218 362 G C 1.876 176.804 174.900 0.047 0.000 1.146 362 G CA 1.698 46.824 45.100 0.043 0.000 0.769 362 G HN 0.434 nan 8.290 nan 0.000 0.547 363 M N 0.205 119.828 119.600 0.037 0.000 2.067 363 M HA -0.074 4.406 4.480 -0.000 0.000 0.260 363 M C 2.666 178.985 176.300 0.032 0.000 1.069 363 M CA 1.358 56.679 55.300 0.034 0.000 1.117 363 M CB -1.355 31.260 32.600 0.024 0.000 1.334 363 M HN 0.188 nan 8.290 nan 0.000 0.407 364 Q N 0.219 120.033 119.800 0.023 0.000 2.096 364 Q HA -0.052 4.287 4.340 -0.000 0.000 0.204 364 Q C 2.247 178.260 176.000 0.021 0.000 0.982 364 Q CA 2.198 58.009 55.803 0.013 0.000 0.850 364 Q CB -0.694 28.047 28.738 0.006 0.000 0.901 364 Q HN 0.602 nan 8.270 nan 0.000 0.422 365 A N 0.245 123.093 122.820 0.046 0.000 1.858 365 A HA -0.143 4.176 4.320 -0.000 0.000 0.216 365 A C 2.029 179.707 177.584 0.156 0.000 1.190 365 A CA 1.300 53.389 52.037 0.085 0.000 0.617 365 A CB -0.741 18.316 19.000 0.095 0.000 0.827 365 A HN 0.347 nan 8.150 nan 0.000 0.443 366 L N -0.493 120.816 121.223 0.144 0.000 2.201 366 L HA -0.056 4.284 4.340 -0.000 0.000 0.212 366 L C 2.670 179.623 176.870 0.137 0.000 1.105 366 L CA 0.749 55.699 54.840 0.184 0.000 0.775 366 L CB -0.550 41.576 42.059 0.112 0.000 0.913 366 L HN 0.482 nan 8.230 nan 0.000 0.440 367 G N 0.094 108.931 108.800 0.060 0.000 2.470 367 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.220 367 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.220 367 G C 1.529 176.404 174.900 -0.042 0.000 1.121 367 G CA 0.337 45.444 45.100 0.012 0.000 0.766 367 G HN 0.308 nan 8.290 nan 0.000 0.553 368 L N -0.206 120.946 121.223 -0.118 0.000 2.478 368 L HA 0.116 4.455 4.340 -0.000 0.000 0.223 368 L C 1.805 178.425 176.870 -0.416 0.000 1.140 368 L CA 0.444 55.117 54.840 -0.278 0.000 0.842 368 L CB -0.209 41.620 42.059 -0.384 0.000 0.953 368 L HN 0.252 nan 8.230 nan 0.000 0.452 369 H N -0.425 118.650 119.070 0.008 0.000 2.549 369 H HA 0.209 4.764 4.556 -0.000 0.000 0.279 369 H C 1.918 177.242 175.328 -0.007 0.000 1.018 369 H CA 0.094 56.147 56.048 0.008 0.000 1.175 369 H CB 0.632 30.408 29.762 0.022 0.000 1.485 369 H HN 0.333 nan 8.280 nan 0.000 0.543 370 L N 0.197 121.443 121.223 0.037 0.000 2.551 370 L HA -0.027 4.313 4.340 -0.000 0.000 0.228 370 L C 1.243 178.108 176.870 -0.009 0.000 1.153 370 L CA 0.882 55.728 54.840 0.010 0.000 0.851 370 L CB -0.011 42.045 42.059 -0.005 0.000 0.959 370 L HN 0.085 nan 8.230 nan 0.000 0.451 371 T N -2.495 112.052 114.554 -0.011 0.000 3.054 371 T HA 0.037 4.387 4.350 -0.000 0.000 0.255 371 T C 0.586 175.281 174.700 -0.009 0.000 1.035 371 T CA -0.283 61.806 62.100 -0.018 0.000 0.941 371 T CB 0.066 68.918 68.868 -0.026 0.000 1.026 371 T HN 0.172 nan 8.240 nan 0.000 0.533 372 D N 1.977 122.383 120.400 0.010 0.000 2.443 372 D HA 0.036 4.676 4.640 -0.000 0.000 0.239 372 D C -1.505 174.789 176.300 -0.010 0.000 1.136 372 D CA -1.423 52.588 54.000 0.018 0.000 0.879 372 D CB 1.714 42.553 40.800 0.065 0.000 1.195 372 D HN -0.011 nan 8.370 nan 0.000 0.443 373 P HA -0.118 nan 4.420 nan 0.000 0.216 373 P C 0.037 177.303 177.300 -0.056 0.000 1.153 373 P CA 0.940 64.019 63.100 -0.035 0.000 0.858 373 P CB 0.075 31.756 31.700 -0.032 0.000 0.789 374 S N -0.458 115.201 115.700 -0.068 0.000 2.488 374 S HA 0.108 4.577 4.470 -0.000 0.000 0.278 374 S C 1.074 175.612 174.600 -0.104 0.000 1.259 374 S CA -0.493 57.641 58.200 -0.109 0.000 1.061 374 S CB 1.293 64.402 63.200 -0.151 0.000 0.910 374 S HN -0.090 nan 8.310 nan 0.000 0.491 375 Q N 2.684 122.413 119.800 -0.118 0.000 2.297 375 Q HA -0.073 4.266 4.340 -0.000 0.000 0.204 375 Q C 2.351 178.272 176.000 -0.132 0.000 0.962 375 Q CA 1.535 57.268 55.803 -0.116 0.000 0.879 375 Q CB -0.128 28.545 28.738 -0.107 0.000 0.947 375 Q HN 0.941 nan 8.270 nan 0.000 0.462 376 R N -0.762 119.640 120.500 -0.163 0.000 2.115 376 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 376 R C 1.807 178.116 176.300 0.016 0.000 1.111 376 R CA 1.339 57.355 56.100 -0.139 0.000 0.976 376 R CB -0.654 29.400 30.300 -0.410 0.000 0.870 376 R HN 0.253 nan 8.270 nan 0.000 0.445 377 L N 1.230 122.444 121.223 -0.015 0.000 2.095 377 L HA 0.004 4.343 4.340 -0.000 0.000 0.204 377 L C 2.134 179.025 176.870 0.036 0.000 1.080 377 L CA 1.227 56.118 54.840 0.085 0.000 0.759 377 L CB -0.186 41.897 42.059 0.040 0.000 0.914 377 L HN 0.025 nan 8.230 nan 0.000 0.439 378 V N -0.347 119.553 119.914 -0.023 0.000 2.295 378 V HA -0.283 3.836 4.120 -0.000 0.000 0.246 378 V C 2.630 178.643 176.094 -0.135 0.000 1.049 378 V CA 1.834 64.103 62.300 -0.052 0.000 1.024 378 V CB -0.682 31.100 31.823 -0.068 0.000 0.648 378 V HN 0.510 nan 8.190 nan 0.000 0.447 379 Q N 0.467 120.129 119.800 -0.230 0.000 2.079 379 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 379 Q C 2.082 177.778 176.000 -0.507 0.000 0.974 379 Q CA 1.713 57.196 55.803 -0.533 0.000 0.840 379 Q CB -0.411 27.925 28.738 -0.670 0.000 0.898 379 Q HN 0.604 nan 8.270 nan 0.000 0.430 380 N N -1.076 117.569 118.700 -0.091 0.000 2.270 380 N HA -0.102 4.637 4.740 -0.000 0.000 0.181 380 N C 1.523 177.111 175.510 0.131 0.000 1.016 380 N CA 1.153 54.313 53.050 0.184 0.000 0.870 380 N CB -0.156 38.485 38.487 0.257 0.000 0.979 380 N HN 0.311 nan 8.380 nan 0.000 0.431 381 C N 0.574 119.904 119.300 0.052 0.000 2.457 381 C HA 0.091 4.551 4.460 -0.000 0.000 0.278 381 C C 2.802 177.819 174.990 0.045 0.000 1.309 381 C CA 0.017 59.072 59.018 0.061 0.000 1.735 381 C CB -1.016 26.766 27.740 0.071 0.000 1.992 381 C HN 0.388 nan 8.230 nan 0.000 0.493 382 L N -0.757 120.446 121.223 -0.033 0.000 2.027 382 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 382 L C 2.689 179.598 176.870 0.065 0.000 1.074 382 L CA 1.410 56.222 54.840 -0.048 0.000 0.745 382 L CB -0.542 41.410 42.059 -0.179 0.000 0.898 382 L HN 0.456 nan 8.230 nan 0.000 0.433 383 W N 0.351 121.675 121.300 0.040 0.000 2.358 383 W HA -0.145 4.514 4.660 -0.000 0.000 0.303 383 W C 2.669 179.208 176.519 0.033 0.000 1.208 383 W CA 1.498 58.865 57.345 0.037 0.000 1.274 383 W CB -1.398 28.086 29.460 0.040 0.000 1.138 383 W HN 0.172 nan 8.180 nan 0.000 0.515 384 T N 1.047 115.760 114.554 0.264 0.000 2.737 384 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 384 T C 2.129 176.900 174.700 0.118 0.000 1.038 384 T CA 1.180 63.376 62.100 0.159 0.000 1.144 384 T CB -0.637 68.304 68.868 0.121 0.000 0.866 384 T HN -0.013 nan 8.240 nan 0.000 0.434 385 L N 0.475 121.762 121.223 0.107 0.000 2.131 385 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 385 L C 2.818 179.737 176.870 0.082 0.000 1.092 385 L CA 1.242 56.129 54.840 0.079 0.000 0.759 385 L CB -0.365 41.731 42.059 0.061 0.000 0.903 385 L HN 0.140 nan 8.230 nan 0.000 0.435 386 R N -0.102 120.464 120.500 0.110 0.000 2.073 386 R HA -0.115 4.225 4.340 -0.000 0.000 0.229 386 R C 2.087 178.442 176.300 0.092 0.000 1.120 386 R CA 1.280 57.446 56.100 0.109 0.000 0.967 386 R CB -0.011 30.380 30.300 0.152 0.000 0.862 386 R HN 0.377 nan 8.270 nan 0.000 0.436 387 N N 0.666 119.424 118.700 0.097 0.000 2.244 387 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 387 N C 1.724 177.265 175.510 0.052 0.000 1.016 387 N CA 1.078 54.167 53.050 0.066 0.000 0.866 387 N CB -0.077 38.447 38.487 0.062 0.000 0.980 387 N HN 0.272 nan 8.380 nan 0.000 0.430 388 L N 0.842 122.099 121.223 0.056 0.000 2.341 388 L HA -0.005 4.335 4.340 -0.000 0.000 0.214 388 L C 2.241 179.135 176.870 0.040 0.000 1.115 388 L CA 0.468 55.334 54.840 0.044 0.000 0.820 388 L CB -0.408 41.678 42.059 0.045 0.000 0.944 388 L HN 0.152 nan 8.230 nan 0.000 0.452 389 S N 0.051 115.778 115.700 0.046 0.000 2.420 389 S HA -0.225 4.244 4.470 -0.000 0.000 0.237 389 S C 1.498 176.121 174.600 0.038 0.000 1.023 389 S CA 1.407 59.632 58.200 0.043 0.000 0.991 389 S CB -0.614 62.617 63.200 0.051 0.000 0.792 389 S HN 0.627 nan 8.310 nan 0.000 0.488 390 D N 1.506 121.929 120.400 0.037 0.000 2.363 390 D HA 0.205 4.844 4.640 -0.000 0.000 0.226 390 D C 0.944 177.258 176.300 0.023 0.000 1.020 390 D CA 0.739 54.759 54.000 0.032 0.000 0.892 390 D CB -0.123 40.696 40.800 0.033 0.000 0.900 390 D HN 0.620 nan 8.370 nan 0.000 0.531 391 A N -0.462 122.371 122.820 0.022 0.000 2.592 391 A HA 0.639 4.959 4.320 -0.000 0.000 0.290 391 A C 1.054 178.648 177.584 0.016 0.000 0.998 391 A CA 0.059 52.106 52.037 0.017 0.000 0.983 391 A CB 0.571 19.581 19.000 0.017 0.000 1.240 391 A HN 0.214 nan 8.150 nan 0.000 0.535 392 A N -0.884 121.946 122.820 0.017 0.000 2.606 392 A HA 0.383 4.703 4.320 -0.000 0.000 0.290 392 A C 1.270 178.858 177.584 0.008 0.000 1.174 392 A CA 0.854 52.899 52.037 0.013 0.000 0.958 392 A CB -0.551 18.459 19.000 0.018 0.000 1.194 392 A HN 0.145 nan 8.150 nan 0.000 0.526 393 T N 0.145 114.703 114.554 0.007 0.000 2.929 393 T HA -0.064 4.285 4.350 -0.000 0.000 0.271 393 T C 1.417 176.116 174.700 -0.002 0.000 1.085 393 T CA 1.511 63.611 62.100 0.001 0.000 1.125 393 T CB -0.119 68.748 68.868 -0.001 0.000 0.874 393 T HN 0.495 nan 8.240 nan 0.000 0.494 394 K N 0.432 120.832 120.400 0.001 0.000 2.455 394 K HA 0.196 4.516 4.320 -0.000 0.000 0.206 394 K C 0.224 176.821 176.600 -0.005 0.000 1.027 394 K CA -0.158 56.129 56.287 -0.000 0.000 1.113 394 K CB 0.570 33.074 32.500 0.007 0.000 0.850 394 K HN 0.186 nan 8.250 nan 0.000 0.503 395 Q N 1.428 121.223 119.800 -0.008 0.000 2.299 395 Q HA 0.143 4.483 4.340 -0.000 0.000 0.246 395 Q C 0.022 176.009 176.000 -0.022 0.000 0.935 395 Q CA 0.365 56.163 55.803 -0.010 0.000 0.887 395 Q CB 1.338 30.073 28.738 -0.004 0.000 1.223 395 Q HN 0.164 nan 8.270 nan 0.000 0.439 396 E N -0.456 119.732 120.200 -0.021 0.000 2.259 396 E HA 0.406 4.756 4.350 -0.000 0.000 0.257 396 E C 0.317 176.902 176.600 -0.026 0.000 0.998 396 E CA -0.583 55.799 56.400 -0.031 0.000 0.866 396 E CB 0.885 30.569 29.700 -0.027 0.000 1.220 396 E HN 0.800 nan 8.360 nan 0.000 0.415 397 G N 1.038 109.820 108.800 -0.030 0.000 2.249 397 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.273 397 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.273 397 G C 0.610 175.496 174.900 -0.024 0.000 1.036 397 G CA 0.524 45.609 45.100 -0.025 0.000 0.824 397 G HN 0.243 nan 8.290 nan 0.000 0.504 398 M N -0.737 118.845 119.600 -0.029 0.000 2.495 398 M HA 0.139 4.619 4.480 -0.000 0.000 0.237 398 M C 2.023 178.307 176.300 -0.027 0.000 1.131 398 M CA 0.855 56.140 55.300 -0.025 0.000 1.032 398 M CB -0.334 32.249 32.600 -0.027 0.000 1.513 398 M HN 0.330 nan 8.290 nan 0.000 0.488 399 E N 0.931 121.112 120.200 -0.031 0.000 2.114 399 E HA -0.156 4.194 4.350 -0.000 0.000 0.199 399 E C 2.140 178.725 176.600 -0.025 0.000 1.008 399 E CA 1.799 58.181 56.400 -0.029 0.000 0.810 399 E CB -0.839 28.843 29.700 -0.030 0.000 0.739 399 E HN 0.590 nan 8.360 nan 0.000 0.456 400 G N 0.652 109.437 108.800 -0.024 0.000 2.404 400 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.215 400 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.215 400 G C 1.524 176.410 174.900 -0.023 0.000 1.174 400 G CA 0.793 45.878 45.100 -0.025 0.000 0.780 400 G HN 0.234 nan 8.290 nan 0.000 0.537 401 L N 0.543 121.754 121.223 -0.020 0.000 2.017 401 L HA 0.089 4.428 4.340 -0.000 0.000 0.208 401 L C 2.690 179.552 176.870 -0.013 0.000 1.073 401 L CA 1.451 56.283 54.840 -0.014 0.000 0.745 401 L CB -0.526 41.529 42.059 -0.007 0.000 0.894 401 L HN 0.207 nan 8.230 nan 0.000 0.432 402 L N -0.557 120.657 121.223 -0.015 0.000 2.083 402 L HA -0.128 4.211 4.340 -0.000 0.000 0.209 402 L C 2.531 179.392 176.870 -0.016 0.000 1.083 402 L CA 1.277 56.108 54.840 -0.015 0.000 0.752 402 L CB -1.392 40.654 42.059 -0.020 0.000 0.899 402 L HN 0.480 nan 8.230 nan 0.000 0.433 403 G N -0.921 107.868 108.800 -0.018 0.000 2.402 403 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 403 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 403 G C 1.586 176.476 174.900 -0.018 0.000 1.162 403 G CA 1.204 46.293 45.100 -0.017 0.000 0.777 403 G HN 0.281 nan 8.290 nan 0.000 0.539 404 T N 1.420 115.963 114.554 -0.019 0.000 2.821 404 T HA -0.009 4.341 4.350 -0.000 0.000 0.267 404 T C 2.430 177.119 174.700 -0.019 0.000 1.046 404 T CA 0.792 62.880 62.100 -0.020 0.000 1.139 404 T CB -0.165 68.689 68.868 -0.022 0.000 0.871 404 T HN 0.144 nan 8.240 nan 0.000 0.454 405 L N 0.636 121.850 121.223 -0.015 0.000 2.093 405 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 405 L C 2.619 179.480 176.870 -0.015 0.000 1.085 405 L CA 0.769 55.601 54.840 -0.013 0.000 0.755 405 L CB -0.627 41.428 42.059 -0.007 0.000 0.904 405 L HN 0.132 nan 8.230 nan 0.000 0.435 406 V N -0.393 119.511 119.914 -0.016 0.000 2.427 406 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 406 V C 2.443 178.523 176.094 -0.022 0.000 1.051 406 V CA 1.751 64.040 62.300 -0.019 0.000 1.048 406 V CB -0.465 31.346 31.823 -0.019 0.000 0.666 406 V HN 0.540 nan 8.190 nan 0.000 0.456 407 Q N -0.422 119.365 119.800 -0.021 0.000 2.172 407 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 407 Q C 2.136 178.122 176.000 -0.023 0.000 0.964 407 Q CA 1.242 57.032 55.803 -0.022 0.000 0.855 407 Q CB 0.004 28.729 28.738 -0.021 0.000 0.918 407 Q HN 0.586 nan 8.270 nan 0.000 0.444 408 L N 0.478 121.686 121.223 -0.024 0.000 2.395 408 L HA -0.080 4.260 4.340 -0.000 0.000 0.218 408 L C 2.048 178.903 176.870 -0.025 0.000 1.130 408 L CA 0.198 55.022 54.840 -0.027 0.000 0.826 408 L CB -0.056 41.985 42.059 -0.031 0.000 0.941 408 L HN 0.254 nan 8.230 nan 0.000 0.451 409 L N -0.542 120.668 121.223 -0.022 0.000 2.362 409 L HA -0.069 4.270 4.340 -0.000 0.000 0.219 409 L C 2.145 179.003 176.870 -0.019 0.000 1.134 409 L CA 0.868 55.696 54.840 -0.019 0.000 0.807 409 L CB -0.566 41.482 42.059 -0.019 0.000 0.927 409 L HN 0.283 nan 8.230 nan 0.000 0.447 410 G N -0.841 107.946 108.800 -0.021 0.000 3.141 410 G HA2 0.000 3.960 3.960 -0.000 0.000 0.218 410 G HA3 0.000 3.960 3.960 -0.000 0.000 0.218 410 G C 0.655 175.544 174.900 -0.018 0.000 1.170 410 G CA 0.194 45.282 45.100 -0.019 0.000 0.769 410 G HN 0.370 nan 8.290 nan 0.000 0.546 411 S N 0.470 116.157 115.700 -0.021 0.000 2.603 411 S HA 0.145 4.615 4.470 -0.000 0.000 0.268 411 S C 1.169 175.757 174.600 -0.019 0.000 1.317 411 S CA 0.113 58.299 58.200 -0.023 0.000 1.012 411 S CB 1.452 64.633 63.200 -0.031 0.000 0.926 411 S HN 0.348 nan 8.310 nan 0.000 0.539 412 D N -0.356 120.033 120.400 -0.019 0.000 2.312 412 D HA -0.134 4.506 4.640 -0.000 0.000 0.211 412 D C -0.068 176.222 176.300 -0.015 0.000 0.964 412 D CA 0.377 54.368 54.000 -0.016 0.000 0.877 412 D CB -0.316 40.474 40.800 -0.015 0.000 0.924 412 D HN 0.609 nan 8.370 nan 0.000 0.515 413 D N 0.816 121.203 120.400 -0.022 0.000 2.365 413 D HA 0.031 4.671 4.640 -0.000 0.000 0.237 413 D C 0.910 177.199 176.300 -0.018 0.000 1.190 413 D CA -0.499 53.487 54.000 -0.023 0.000 0.867 413 D CB 1.237 42.013 40.800 -0.041 0.000 1.050 413 D HN -0.082 nan 8.370 nan 0.000 0.491 414 I N 4.653 125.221 120.570 -0.004 0.000 2.614 414 I HA -0.206 3.963 4.170 -0.000 0.000 0.258 414 I C 1.615 177.741 176.117 0.014 0.000 1.189 414 I CA 0.874 62.177 61.300 0.006 0.000 1.462 414 I CB -0.097 37.911 38.000 0.014 0.000 1.092 414 I HN 0.355 nan 8.210 nan 0.000 0.442 415 N N -0.234 118.474 118.700 0.013 0.000 2.270 415 N HA -0.073 4.667 4.740 -0.000 0.000 0.181 415 N C 1.950 177.447 175.510 -0.021 0.000 1.016 415 N CA 1.247 54.314 53.050 0.029 0.000 0.870 415 N CB -0.334 38.181 38.487 0.046 0.000 0.979 415 N HN 0.268 nan 8.380 nan 0.000 0.431 416 V N 1.179 121.057 119.914 -0.060 0.000 2.379 416 V HA -0.125 3.994 4.120 -0.000 0.000 0.245 416 V C 2.482 178.550 176.094 -0.043 0.000 1.044 416 V CA 0.960 63.209 62.300 -0.086 0.000 1.036 416 V CB -0.347 31.424 31.823 -0.087 0.000 0.664 416 V HN 0.023 nan 8.190 nan 0.000 0.453 417 V N -0.097 119.804 119.914 -0.022 0.000 2.295 417 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 417 V C 2.568 178.666 176.094 0.006 0.000 1.049 417 V CA 2.647 64.941 62.300 -0.009 0.000 1.024 417 V CB -1.134 30.686 31.823 -0.005 0.000 0.648 417 V HN 0.601 nan 8.190 nan 0.000 0.447 418 T N -1.247 113.319 114.554 0.021 0.000 2.720 418 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 418 T C 1.962 176.694 174.700 0.053 0.000 1.037 418 T CA 1.911 64.037 62.100 0.043 0.000 1.144 418 T CB -0.507 68.401 68.868 0.066 0.000 0.864 418 T HN 0.517 nan 8.240 nan 0.000 0.444 419 C N 1.398 120.726 119.300 0.047 0.000 2.453 419 C HA 0.138 4.598 4.460 -0.000 0.000 0.277 419 C C 3.245 178.255 174.990 0.034 0.000 1.262 419 C CA 0.371 59.423 59.018 0.055 0.000 1.718 419 C CB -1.361 26.383 27.740 0.006 0.000 2.031 419 C HN 0.662 nan 8.230 nan 0.000 0.480 420 A N 0.389 123.213 122.820 0.007 0.000 1.940 420 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 420 A C 2.312 179.904 177.584 0.013 0.000 1.176 420 A CA 2.234 54.274 52.037 0.004 0.000 0.631 420 A CB -0.829 18.165 19.000 -0.010 0.000 0.814 420 A HN 0.612 nan 8.150 nan 0.000 0.446 421 A N -0.613 122.217 122.820 0.016 0.000 1.898 421 A HA 0.168 4.488 4.320 -0.000 0.000 0.216 421 A C 2.409 180.009 177.584 0.027 0.000 1.181 421 A CA 1.829 53.875 52.037 0.016 0.000 0.620 421 A CB -1.319 17.690 19.000 0.015 0.000 0.819 421 A HN 0.711 nan 8.150 nan 0.000 0.442 422 G N 0.129 108.955 108.800 0.043 0.000 2.418 422 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.217 422 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.217 422 G C 1.512 176.447 174.900 0.058 0.000 1.158 422 G CA 1.144 46.278 45.100 0.057 0.000 0.771 422 G HN 0.484 nan 8.290 nan 0.000 0.545 423 I N 0.236 120.838 120.570 0.053 0.000 2.252 423 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 423 I C 2.642 178.786 176.117 0.044 0.000 1.102 423 I CA 0.611 61.940 61.300 0.049 0.000 1.385 423 I CB -0.218 37.805 38.000 0.040 0.000 1.064 423 I HN 0.093 nan 8.210 nan 0.000 0.414 424 L N 0.514 121.758 121.223 0.035 0.000 2.141 424 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 424 L C 2.797 179.699 176.870 0.053 0.000 1.094 424 L CA 1.499 56.358 54.840 0.031 0.000 0.763 424 L CB -0.477 41.590 42.059 0.014 0.000 0.908 424 L HN 0.384 nan 8.230 nan 0.000 0.437 425 S N -0.860 114.874 115.700 0.057 0.000 2.371 425 S HA -0.109 4.361 4.470 -0.000 0.000 0.224 425 S C 1.778 176.508 174.600 0.217 0.000 1.029 425 S CA 0.909 59.165 58.200 0.093 0.000 0.978 425 S CB -0.371 62.846 63.200 0.028 0.000 0.833 425 S HN 0.372 nan 8.310 nan 0.000 0.466 426 N N 2.026 120.807 118.700 0.135 0.000 2.188 426 N HA 0.143 4.883 4.740 -0.000 0.000 0.184 426 N C 1.638 177.191 175.510 0.072 0.000 1.018 426 N CA 1.058 54.171 53.050 0.106 0.000 0.858 426 N CB -0.591 37.941 38.487 0.074 0.000 0.989 426 N HN 0.426 nan 8.380 nan 0.000 0.426 427 L N 0.128 121.388 121.223 0.061 0.000 2.465 427 L HA 0.004 4.343 4.340 -0.000 0.000 0.224 427 L C 1.286 178.173 176.870 0.028 0.000 1.145 427 L CA 0.788 55.647 54.840 0.033 0.000 0.834 427 L CB -0.241 41.831 42.059 0.021 0.000 0.944 427 L HN 0.102 nan 8.230 nan 0.000 0.451 428 T N -1.721 112.878 114.554 0.076 0.000 3.044 428 T HA -0.008 4.342 4.350 -0.000 0.000 0.250 428 T C 0.829 175.549 174.700 0.034 0.000 1.081 428 T CA -0.073 62.077 62.100 0.084 0.000 1.040 428 T CB -0.096 68.864 68.868 0.153 0.000 0.962 428 T HN 0.333 nan 8.240 nan 0.000 0.506 429 C N 3.651 122.924 119.300 -0.045 0.000 2.651 429 C HA 0.203 4.663 4.460 -0.000 0.000 0.410 429 C C 1.231 176.130 174.990 -0.151 0.000 1.372 429 C CA -0.553 58.278 59.018 -0.312 0.000 1.707 429 C CB -1.785 25.803 27.740 -0.254 0.000 2.501 429 C HN 0.632 nan 8.230 nan 0.000 0.598 430 N N 2.906 121.519 118.700 -0.145 0.000 2.681 430 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 430 N C -0.684 174.836 175.510 0.017 0.000 1.133 430 N CA 1.219 54.243 53.050 -0.044 0.000 0.732 430 N CB -1.018 37.447 38.487 -0.037 0.000 1.107 430 N HN 0.913 nan 8.380 nan 0.000 0.559 431 N N 0.281 118.988 118.700 0.012 0.000 2.531 431 N HA 0.093 4.833 4.740 -0.000 0.000 0.268 431 N C 0.930 176.457 175.510 0.029 0.000 1.023 431 N CA -0.458 52.607 53.050 0.026 0.000 0.896 431 N CB 0.555 39.025 38.487 -0.028 0.000 1.233 431 N HN 0.207 nan 8.380 nan 0.000 0.512 432 Y N 3.123 123.402 120.300 -0.035 0.000 2.293 432 Y HA 0.100 4.649 4.550 -0.000 0.000 0.291 432 Y C 1.485 177.358 175.900 -0.046 0.000 1.137 432 Y CA 1.033 59.112 58.100 -0.034 0.000 1.202 432 Y CB 0.072 38.549 38.460 0.028 0.000 0.990 432 Y HN 0.275 nan 8.280 nan 0.000 0.537 433 K N 0.393 120.442 120.400 -0.585 0.000 2.097 433 K HA -0.114 4.205 4.320 -0.000 0.000 0.205 433 K C 1.572 178.043 176.600 -0.215 0.000 1.050 433 K CA 1.383 57.396 56.287 -0.456 0.000 0.938 433 K CB -0.194 32.008 32.500 -0.497 0.000 0.718 433 K HN 0.319 nan 8.250 nan 0.000 0.442 434 N N 1.103 119.699 118.700 -0.172 0.000 2.270 434 N HA -0.083 4.657 4.740 -0.000 0.000 0.181 434 N C 1.357 176.799 175.510 -0.113 0.000 1.016 434 N CA 1.050 54.034 53.050 -0.109 0.000 0.870 434 N CB 0.051 38.493 38.487 -0.075 0.000 0.979 434 N HN 0.161 nan 8.380 nan 0.000 0.431 435 K N 0.262 120.557 120.400 -0.174 0.000 2.057 435 K HA 0.032 4.351 4.320 -0.000 0.000 0.207 435 K C 1.974 178.400 176.600 -0.289 0.000 1.049 435 K CA 1.009 57.103 56.287 -0.321 0.000 0.931 435 K CB -0.097 32.014 32.500 -0.648 0.000 0.714 435 K HN 0.162 nan 8.250 nan 0.000 0.440 436 M N -0.119 119.384 119.600 -0.161 0.000 2.229 436 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 436 M C 2.259 178.568 176.300 0.017 0.000 1.063 436 M CA 1.039 56.362 55.300 0.038 0.000 1.114 436 M CB -0.038 32.621 32.600 0.098 0.000 1.387 436 M HN 0.152 nan 8.290 nan 0.000 0.420 437 M N -0.099 119.483 119.600 -0.030 0.000 2.200 437 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 437 M C 2.023 178.315 176.300 -0.014 0.000 1.066 437 M CA 1.358 56.644 55.300 -0.023 0.000 1.127 437 M CB -0.563 32.012 32.600 -0.042 0.000 1.379 437 M HN 0.074 nan 8.290 nan 0.000 0.420 438 V N -0.865 119.036 119.914 -0.022 0.000 2.427 438 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 438 V C 2.436 178.535 176.094 0.008 0.000 1.051 438 V CA 1.408 63.701 62.300 -0.011 0.000 1.048 438 V CB -0.755 31.058 31.823 -0.017 0.000 0.666 438 V HN 0.489 nan 8.190 nan 0.000 0.456 439 C N -0.712 118.607 119.300 0.031 0.000 2.450 439 C HA -0.112 4.348 4.460 -0.000 0.000 0.279 439 C C 2.737 177.756 174.990 0.048 0.000 1.335 439 C CA 0.528 59.585 59.018 0.065 0.000 1.749 439 C CB -0.938 26.887 27.740 0.142 0.000 1.963 439 C HN 0.579 nan 8.230 nan 0.000 0.501 440 Q N 0.497 120.320 119.800 0.038 0.000 2.297 440 Q HA -0.079 4.261 4.340 -0.000 0.000 0.204 440 Q C 1.764 177.772 176.000 0.015 0.000 0.962 440 Q CA 1.356 57.175 55.803 0.028 0.000 0.879 440 Q CB 0.030 28.782 28.738 0.022 0.000 0.947 440 Q HN 0.750 nan 8.270 nan 0.000 0.462 441 V N -4.066 115.852 119.914 0.007 0.000 3.342 441 V HA 0.483 4.603 4.120 -0.000 0.000 0.322 441 V C 0.769 176.858 176.094 -0.009 0.000 1.370 441 V CA 0.286 62.585 62.300 -0.002 0.000 1.170 441 V CB -0.173 31.645 31.823 -0.008 0.000 1.101 441 V HN 0.289 nan 8.190 nan 0.000 0.442 442 G N 0.136 108.932 108.800 -0.007 0.000 2.171 442 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.238 442 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.238 442 G C 0.900 175.771 174.900 -0.047 0.000 1.039 442 G CA 0.280 45.362 45.100 -0.029 0.000 0.759 442 G HN 1.124 nan 8.290 nan 0.000 0.501 443 G N 0.159 108.946 108.800 -0.023 0.000 2.442 443 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.219 443 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.219 443 G C 1.734 176.616 174.900 -0.031 0.000 1.141 443 G CA 1.416 46.503 45.100 -0.022 0.000 0.763 443 G HN 0.505 nan 8.290 nan 0.000 0.554 444 I N 0.978 121.535 120.570 -0.023 0.000 2.179 444 I HA -0.119 4.051 4.170 -0.000 0.000 0.242 444 I C 2.484 178.543 176.117 -0.097 0.000 1.088 444 I CA 1.360 62.650 61.300 -0.017 0.000 1.357 444 I CB -1.152 36.875 38.000 0.045 0.000 1.051 444 I HN 0.369 nan 8.210 nan 0.000 0.409 445 E N 1.117 121.159 120.200 -0.263 0.000 2.051 445 E HA -0.206 4.143 4.350 -0.000 0.000 0.192 445 E C 2.315 178.794 176.600 -0.202 0.000 0.991 445 E CA 1.481 57.595 56.400 -0.477 0.000 0.799 445 E CB 0.064 29.317 29.700 -0.744 0.000 0.748 445 E HN 0.412 nan 8.360 nan 0.000 0.449 446 A N 0.935 123.675 122.820 -0.134 0.000 1.908 446 A HA -0.162 4.157 4.320 -0.000 0.000 0.218 446 A C 2.190 179.746 177.584 -0.046 0.000 1.181 446 A CA 1.238 53.231 52.037 -0.073 0.000 0.627 446 A CB -0.643 18.324 19.000 -0.055 0.000 0.818 446 A HN 0.322 nan 8.150 nan 0.000 0.445 447 L N -0.788 120.411 121.223 -0.040 0.000 2.217 447 L HA -0.087 4.252 4.340 -0.000 0.000 0.211 447 L C 2.369 179.233 176.870 -0.010 0.000 1.107 447 L CA 0.449 55.277 54.840 -0.021 0.000 0.783 447 L CB -0.190 41.859 42.059 -0.017 0.000 0.919 447 L HN 0.242 nan 8.230 nan 0.000 0.442 448 V N -0.415 119.492 119.914 -0.011 0.000 2.488 448 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 448 V C 2.526 178.632 176.094 0.021 0.000 1.046 448 V CA 1.428 63.739 62.300 0.018 0.000 1.053 448 V CB -0.456 31.395 31.823 0.047 0.000 0.679 448 V HN 0.390 nan 8.190 nan 0.000 0.458 449 R N -0.323 120.178 120.500 0.002 0.000 2.115 449 R HA -0.120 4.220 4.340 -0.000 0.000 0.230 449 R C 2.316 178.620 176.300 0.006 0.000 1.111 449 R CA 1.767 57.871 56.100 0.007 0.000 0.976 449 R CB -0.582 29.714 30.300 -0.008 0.000 0.870 449 R HN 0.488 nan 8.270 nan 0.000 0.445 450 T N 0.676 115.230 114.554 -0.000 0.000 2.737 450 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 450 T C 1.982 176.686 174.700 0.008 0.000 1.038 450 T CA 1.228 63.329 62.100 0.002 0.000 1.144 450 T CB -0.090 68.777 68.868 -0.002 0.000 0.866 450 T HN 0.002 nan 8.240 nan 0.000 0.434 451 V N 1.331 121.251 119.914 0.011 0.000 2.515 451 V HA -0.062 4.058 4.120 -0.000 0.000 0.250 451 V C 2.377 178.482 176.094 0.018 0.000 1.058 451 V CA 1.028 63.336 62.300 0.015 0.000 1.064 451 V CB -0.562 31.272 31.823 0.018 0.000 0.675 451 V HN 0.298 nan 8.190 nan 0.000 0.461 452 L N -0.184 121.053 121.223 0.022 0.000 2.072 452 L HA 0.001 4.341 4.340 -0.000 0.000 0.205 452 L C 2.517 179.395 176.870 0.014 0.000 1.079 452 L CA 1.728 56.582 54.840 0.023 0.000 0.752 452 L CB -1.028 41.051 42.059 0.033 0.000 0.906 452 L HN 0.235 nan 8.230 nan 0.000 0.436 453 R N -1.127 119.380 120.500 0.011 0.000 2.148 453 R HA -0.022 4.318 4.340 -0.000 0.000 0.223 453 R C 2.186 178.491 176.300 0.007 0.000 1.088 453 R CA 0.970 57.075 56.100 0.008 0.000 0.985 453 R CB -0.282 30.021 30.300 0.005 0.000 0.880 453 R HN 0.342 nan 8.270 nan 0.000 0.451 454 A N 0.670 123.495 122.820 0.009 0.000 1.872 454 A HA 0.158 4.477 4.320 -0.000 0.000 0.214 454 A C 1.499 179.087 177.584 0.006 0.000 1.187 454 A CA 1.439 53.481 52.037 0.009 0.000 0.614 454 A CB -0.772 18.234 19.000 0.011 0.000 0.826 454 A HN 0.449 nan 8.150 nan 0.000 0.442 455 G N 0.145 108.947 108.800 0.004 0.000 2.536 455 G HA2 -0.433 3.526 3.960 -0.000 0.000 0.280 455 G HA3 -0.433 3.526 3.960 -0.000 0.000 0.280 455 G C 0.378 175.274 174.900 -0.007 0.000 1.152 455 G CA 1.165 46.264 45.100 -0.001 0.000 0.970 455 G HN 1.050 nan 8.290 nan 0.000 0.549 456 D N 0.558 120.950 120.400 -0.013 0.000 2.363 456 D HA 0.125 4.765 4.640 -0.000 0.000 0.226 456 D C 1.199 177.486 176.300 -0.021 0.000 1.020 456 D CA 0.259 54.243 54.000 -0.027 0.000 0.892 456 D CB 0.045 40.826 40.800 -0.033 0.000 0.900 456 D HN 0.361 nan 8.370 nan 0.000 0.531 457 R N 1.555 122.053 120.500 -0.003 0.000 2.441 457 R HA 0.067 4.407 4.340 -0.000 0.000 0.300 457 R C 0.300 176.609 176.300 0.015 0.000 1.284 457 R CA 0.112 56.219 56.100 0.010 0.000 1.069 457 R CB 0.031 30.341 30.300 0.017 0.000 1.087 457 R HN 0.505 nan 8.270 nan 0.000 0.519 458 E N 1.078 121.288 120.200 0.017 0.000 2.333 458 E HA -0.178 4.172 4.350 -0.000 0.000 0.198 458 E C 0.891 177.519 176.600 0.047 0.000 1.007 458 E CA 1.075 57.493 56.400 0.030 0.000 0.845 458 E CB 0.242 29.967 29.700 0.042 0.000 0.766 458 E HN 0.580 nan 8.360 nan 0.000 0.507 459 D N 0.501 120.931 120.400 0.050 0.000 2.317 459 D HA -0.097 4.543 4.640 -0.000 0.000 0.211 459 D C 1.731 178.061 176.300 0.049 0.000 0.966 459 D CA 0.599 54.632 54.000 0.055 0.000 0.876 459 D CB 0.038 40.873 40.800 0.059 0.000 0.927 459 D HN 0.308 nan 8.370 nan 0.000 0.519 460 I N 0.302 120.895 120.570 0.039 0.000 3.172 460 I HA -0.076 4.093 4.170 -0.000 0.000 0.278 460 I C 2.079 178.210 176.117 0.024 0.000 1.174 460 I CA 0.467 61.787 61.300 0.032 0.000 1.445 460 I CB -0.056 37.960 38.000 0.027 0.000 1.175 460 I HN -0.143 nan 8.210 nan 0.000 0.447 461 T N 0.465 115.032 114.554 0.022 0.000 2.777 461 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 461 T C 1.759 176.469 174.700 0.017 0.000 1.040 461 T CA 1.483 63.593 62.100 0.016 0.000 1.141 461 T CB -0.144 68.731 68.868 0.011 0.000 0.868 461 T HN 0.361 nan 8.240 nan 0.000 0.444 462 E N 1.061 121.278 120.200 0.028 0.000 2.051 462 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 462 E C -0.513 176.098 176.600 0.018 0.000 0.991 462 E CA 1.143 57.563 56.400 0.033 0.000 0.799 462 E CB -0.469 29.264 29.700 0.055 0.000 0.748 462 E HN 0.359 nan 8.360 nan 0.000 0.449 463 P HA -0.079 nan 4.420 nan 0.000 0.219 463 P C 1.041 178.326 177.300 -0.024 0.000 1.150 463 P CA 1.600 64.704 63.100 0.007 0.000 0.814 463 P CB 0.045 31.762 31.700 0.028 0.000 0.787 464 A N 0.396 123.209 122.820 -0.013 0.000 1.898 464 A HA -0.115 4.204 4.320 -0.000 0.000 0.216 464 A C 2.263 179.824 177.584 -0.038 0.000 1.181 464 A CA 1.254 53.279 52.037 -0.020 0.000 0.620 464 A CB -1.261 17.736 19.000 -0.005 0.000 0.819 464 A HN 0.032 nan 8.150 nan 0.000 0.442 465 I N -0.363 120.189 120.570 -0.031 0.000 2.353 465 I HA -0.187 3.982 4.170 -0.000 0.000 0.248 465 I C 2.434 178.500 176.117 -0.084 0.000 1.119 465 I CA 0.860 62.140 61.300 -0.032 0.000 1.417 465 I CB -1.442 36.556 38.000 -0.004 0.000 1.078 465 I HN 0.354 nan 8.210 nan 0.000 0.421 466 C N 0.843 120.068 119.300 -0.125 0.000 2.440 466 C HA -0.045 4.415 4.460 -0.000 0.000 0.278 466 C C 3.134 177.739 174.990 -0.642 0.000 1.295 466 C CA 0.862 59.707 59.018 -0.288 0.000 1.738 466 C CB -1.097 26.538 27.740 -0.175 0.000 1.987 466 C HN 0.570 nan 8.230 nan 0.000 0.492 467 A N 0.273 122.879 122.820 -0.356 0.000 1.898 467 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 467 A C 2.101 179.590 177.584 -0.159 0.000 1.181 467 A CA 1.326 53.206 52.037 -0.262 0.000 0.620 467 A CB -0.578 18.367 19.000 -0.091 0.000 0.819 467 A HN 0.599 nan 8.150 nan 0.000 0.442 468 L N -1.128 120.033 121.223 -0.103 0.000 2.141 468 L HA -0.149 4.190 4.340 -0.000 0.000 0.209 468 L C 2.789 179.656 176.870 -0.005 0.000 1.094 468 L CA 1.531 56.354 54.840 -0.028 0.000 0.763 468 L CB -0.392 41.661 42.059 -0.010 0.000 0.908 468 L HN 0.472 nan 8.230 nan 0.000 0.437 469 R N -0.445 120.023 120.500 -0.053 0.000 2.075 469 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 469 R C 2.242 178.626 176.300 0.139 0.000 1.126 469 R CA 1.598 57.716 56.100 0.030 0.000 0.963 469 R CB -0.259 30.058 30.300 0.029 0.000 0.858 469 R HN 0.493 nan 8.270 nan 0.000 0.435 470 H N -0.108 118.997 119.070 0.058 0.000 2.353 470 H HA -0.081 4.474 4.556 -0.000 0.000 0.300 470 H C 1.978 177.349 175.328 0.071 0.000 1.090 470 H CA 1.196 57.277 56.048 0.054 0.000 1.327 470 H CB 0.011 29.791 29.762 0.029 0.000 1.383 470 H HN 0.176 nan 8.280 nan 0.000 0.508 471 L N 0.462 121.794 121.223 0.181 0.000 2.622 471 L HA -0.054 4.285 4.340 -0.000 0.000 0.233 471 L C 0.988 178.054 176.870 0.327 0.000 1.156 471 L CA 0.678 55.630 54.840 0.186 0.000 0.866 471 L CB 0.196 42.322 42.059 0.112 0.000 0.980 471 L HN 0.236 nan 8.230 nan 0.000 0.448 472 T N -1.652 113.032 114.554 0.218 0.000 3.129 472 T HA 0.155 4.505 4.350 -0.000 0.000 0.267 472 T C 0.341 175.114 174.700 0.122 0.000 1.018 472 T CA 0.084 62.271 62.100 0.145 0.000 0.903 472 T CB 0.209 69.130 68.868 0.089 0.000 1.067 472 T HN 0.350 nan 8.240 nan 0.000 0.549 473 S N 0.477 116.294 115.700 0.195 0.000 2.607 473 S HA 0.606 5.076 4.470 -0.000 0.000 0.273 473 S C -0.456 174.280 174.600 0.225 0.000 1.148 473 S CA -1.126 57.164 58.200 0.150 0.000 0.833 473 S CB 1.629 64.900 63.200 0.119 0.000 1.130 473 S HN 0.205 nan 8.310 nan 0.000 0.470 474 R N 0.631 121.210 120.500 0.132 0.000 3.301 474 R HA -0.234 4.106 4.340 -0.000 0.000 0.249 474 R C -0.519 175.911 176.300 0.216 0.000 0.964 474 R CA 1.598 57.772 56.100 0.123 0.000 0.653 474 R CB -2.746 27.606 30.300 0.087 0.000 1.043 474 R HN 1.037 nan 8.270 nan 0.000 0.454 475 H N -5.023 114.074 119.070 0.046 0.000 3.064 475 H HA 0.176 4.732 4.556 -0.000 0.000 0.352 475 H C 0.398 175.759 175.328 0.056 0.000 1.260 475 H CA -0.779 55.315 56.048 0.076 0.000 1.160 475 H CB 1.031 30.873 29.762 0.133 0.000 1.879 475 H HN -0.059 nan 8.280 nan 0.000 0.544 476 Q N 0.044 119.891 119.800 0.078 0.000 2.217 476 Q HA -0.171 4.168 4.340 -0.000 0.000 0.209 476 Q C 0.466 176.404 176.000 -0.103 0.000 0.988 476 Q CA 1.900 57.701 55.803 -0.003 0.000 0.878 476 Q CB 0.139 28.920 28.738 0.072 0.000 0.909 476 Q HN 0.698 nan 8.270 nan 0.000 0.424 477 E N -1.125 118.971 120.200 -0.174 0.000 2.419 477 E HA 0.090 4.440 4.350 -0.000 0.000 0.190 477 E C 1.048 177.387 176.600 -0.435 0.000 1.040 477 E CA 0.316 56.607 56.400 -0.181 0.000 0.900 477 E CB 0.615 30.357 29.700 0.070 0.000 1.054 477 E HN 0.364 nan 8.360 nan 0.000 0.462 478 A N 1.055 123.407 122.820 -0.780 0.000 1.933 478 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 478 A C 2.077 179.552 177.584 -0.182 0.000 1.175 478 A CA 1.307 53.035 52.037 -0.515 0.000 0.628 478 A CB -0.187 18.590 19.000 -0.371 0.000 0.814 478 A HN 0.213 nan 8.150 nan 0.000 0.444 479 E N -0.939 119.170 120.200 -0.151 0.000 2.106 479 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 479 E C 2.004 178.566 176.600 -0.064 0.000 0.984 479 E CA 1.090 57.438 56.400 -0.086 0.000 0.806 479 E CB -0.156 29.499 29.700 -0.075 0.000 0.750 479 E HN 0.582 nan 8.360 nan 0.000 0.458 480 M N 0.486 120.050 119.600 -0.061 0.000 2.175 480 M HA -0.094 4.385 4.480 -0.000 0.000 0.264 480 M C 2.086 178.384 176.300 -0.003 0.000 1.063 480 M CA 1.760 57.044 55.300 -0.026 0.000 1.119 480 M CB -0.459 32.135 32.600 -0.010 0.000 1.377 480 M HN 0.141 nan 8.290 nan 0.000 0.415 481 A N -0.004 122.819 122.820 0.005 0.000 1.930 481 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 481 A C 1.974 179.574 177.584 0.028 0.000 1.175 481 A CA 1.607 53.672 52.037 0.046 0.000 0.627 481 A CB -0.704 18.354 19.000 0.097 0.000 0.815 481 A HN 0.687 nan 8.150 nan 0.000 0.443 482 Q N -0.198 119.602 119.800 0.000 0.000 2.096 482 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 482 Q C 1.938 177.924 176.000 -0.024 0.000 0.982 482 Q CA 1.728 57.525 55.803 -0.010 0.000 0.850 482 Q CB -0.137 28.583 28.738 -0.030 0.000 0.901 482 Q HN 0.679 nan 8.270 nan 0.000 0.422 483 N N -0.370 118.308 118.700 -0.036 0.000 2.171 483 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 483 N C 1.650 177.121 175.510 -0.065 0.000 1.021 483 N CA 1.061 54.075 53.050 -0.059 0.000 0.854 483 N CB -0.068 38.381 38.487 -0.064 0.000 0.994 483 N HN 0.193 nan 8.380 nan 0.000 0.426 484 A N 1.094 123.903 122.820 -0.019 0.000 1.972 484 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 484 A C 2.468 180.098 177.584 0.075 0.000 1.169 484 A CA 1.061 53.118 52.037 0.032 0.000 0.635 484 A CB -0.632 18.447 19.000 0.131 0.000 0.810 484 A HN 0.095 nan 8.150 nan 0.000 0.446 485 V N -0.018 119.924 119.914 0.046 0.000 2.407 485 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 485 V C 2.630 178.720 176.094 -0.007 0.000 1.055 485 V CA 2.256 64.584 62.300 0.048 0.000 1.049 485 V CB -0.791 31.053 31.823 0.036 0.000 0.662 485 V HN 0.712 nan 8.190 nan 0.000 0.455 486 R N -0.040 120.419 120.500 -0.068 0.000 2.073 486 R HA -0.038 4.302 4.340 -0.000 0.000 0.229 486 R C 2.241 178.351 176.300 -0.316 0.000 1.120 486 R CA 1.274 57.294 56.100 -0.133 0.000 0.967 486 R CB -0.227 30.006 30.300 -0.111 0.000 0.862 486 R HN 0.435 nan 8.270 nan 0.000 0.436 487 L N 0.087 121.099 121.223 -0.352 0.000 2.275 487 L HA -0.132 4.208 4.340 -0.000 0.000 0.215 487 L C 1.423 177.836 176.870 -0.762 0.000 1.119 487 L CA 0.813 55.312 54.840 -0.568 0.000 0.790 487 L CB -0.272 41.492 42.059 -0.491 0.000 0.919 487 L HN 0.327 nan 8.230 nan 0.000 0.443 488 H N -1.504 117.415 119.070 -0.252 0.000 2.505 488 H HA 0.119 4.675 4.556 -0.000 0.000 0.289 488 H C -0.314 175.040 175.328 0.043 0.000 1.052 488 H CA -0.376 55.619 56.048 -0.087 0.000 1.156 488 H CB 0.029 29.783 29.762 -0.013 0.000 1.507 488 H HN 0.231 nan 8.280 nan 0.000 0.548 489 Y N -0.174 120.159 120.300 0.055 0.000 3.234 489 Y HA -0.240 4.310 4.550 -0.000 0.000 0.207 489 Y C 1.674 177.602 175.900 0.047 0.000 1.316 489 Y CA 0.419 58.542 58.100 0.038 0.000 1.309 489 Y CB -1.587 36.890 38.460 0.029 0.000 1.408 489 Y HN 0.373 nan 8.280 nan 0.000 0.544 490 G N -0.787 108.086 108.800 0.122 0.000 2.887 490 G HA2 0.110 4.070 3.960 -0.000 0.000 0.211 490 G HA3 0.110 4.070 3.960 -0.000 0.000 0.211 490 G C 1.298 176.242 174.900 0.074 0.000 1.152 490 G CA 0.347 45.505 45.100 0.096 0.000 0.769 490 G HN 0.446 nan 8.290 nan 0.000 0.541 491 L N 0.600 121.862 121.223 0.066 0.000 2.083 491 L HA -0.019 4.320 4.340 -0.000 0.000 0.209 491 L C -0.137 176.774 176.870 0.068 0.000 1.083 491 L CA 1.097 55.971 54.840 0.057 0.000 0.752 491 L CB -1.086 41.000 42.059 0.044 0.000 0.899 491 L HN 0.125 nan 8.230 nan 0.000 0.433 492 P HA -0.134 nan 4.420 nan 0.000 0.217 492 P C 1.956 179.295 177.300 0.065 0.000 1.151 492 P CA 0.994 64.137 63.100 0.072 0.000 0.828 492 P CB 0.153 31.898 31.700 0.074 0.000 0.788 493 V N -0.605 119.347 119.914 0.063 0.000 2.488 493 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 493 V C 2.102 178.226 176.094 0.050 0.000 1.046 493 V CA 1.492 63.823 62.300 0.052 0.000 1.053 493 V CB -0.731 31.120 31.823 0.047 0.000 0.679 493 V HN -0.111 nan 8.190 nan 0.000 0.458 494 V N -0.208 119.737 119.914 0.051 0.000 2.343 494 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 494 V C 2.456 178.577 176.094 0.044 0.000 1.051 494 V CA 2.158 64.483 62.300 0.043 0.000 1.036 494 V CB -0.311 31.537 31.823 0.041 0.000 0.654 494 V HN 0.452 nan 8.190 nan 0.000 0.451 495 V N -0.290 119.659 119.914 0.058 0.000 2.453 495 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 495 V C 2.422 178.588 176.094 0.120 0.000 1.048 495 V CA 1.803 64.144 62.300 0.068 0.000 1.049 495 V CB -0.648 31.225 31.823 0.084 0.000 0.672 495 V HN 0.505 nan 8.190 nan 0.000 0.457 496 K N 0.188 120.670 120.400 0.136 0.000 2.209 496 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 496 K C 1.865 178.554 176.600 0.148 0.000 1.048 496 K CA 1.310 57.706 56.287 0.183 0.000 0.940 496 K CB -0.161 32.386 32.500 0.079 0.000 0.729 496 K HN 0.421 nan 8.250 nan 0.000 0.451 497 L N 1.024 122.286 121.223 0.065 0.000 2.610 497 L HA -0.048 4.292 4.340 -0.000 0.000 0.232 497 L C 1.843 178.698 176.870 -0.025 0.000 1.149 497 L CA 0.104 54.954 54.840 0.017 0.000 0.872 497 L CB -0.028 42.037 42.059 0.009 0.000 0.992 497 L HN 0.140 nan 8.230 nan 0.000 0.447 498 L N -1.652 119.534 121.223 -0.063 0.000 2.341 498 L HA 0.019 4.359 4.340 -0.000 0.000 0.214 498 L C 0.997 177.714 176.870 -0.254 0.000 1.115 498 L CA 0.100 54.836 54.840 -0.174 0.000 0.820 498 L CB -0.249 41.659 42.059 -0.252 0.000 0.944 498 L HN 0.289 nan 8.230 nan 0.000 0.452 499 H N 0.670 119.700 119.070 -0.067 0.000 2.505 499 H HA 0.236 4.792 4.556 -0.000 0.000 0.351 499 H C -1.975 173.284 175.328 -0.115 0.000 1.151 499 H CA -1.914 54.085 56.048 -0.081 0.000 1.339 499 H CB 0.503 30.234 29.762 -0.053 0.000 1.483 499 H HN -0.097 nan 8.280 nan 0.000 0.558 500 P HA 0.003 nan 4.420 nan 0.000 0.271 500 P C -1.625 175.639 177.300 -0.060 0.000 1.233 500 P CA -1.039 62.012 63.100 -0.082 0.000 0.789 500 P CB 0.168 31.824 31.700 -0.074 0.000 0.951 501 P HA -0.039 nan 4.420 nan 0.000 0.239 501 P C 0.239 177.340 177.300 -0.331 0.000 1.184 501 P CA 0.346 63.345 63.100 -0.169 0.000 0.760 501 P CB -0.208 31.413 31.700 -0.133 0.000 0.884 502 S N 0.623 116.161 115.700 -0.270 0.000 2.533 502 S HA 0.067 4.537 4.470 -0.000 0.000 0.282 502 S C 0.400 174.788 174.600 -0.353 0.000 1.304 502 S CA -0.510 57.504 58.200 -0.310 0.000 1.063 502 S CB 0.163 63.265 63.200 -0.164 0.000 0.881 502 S HN 0.167 nan 8.310 nan 0.000 0.493 503 H N 1.397 120.406 119.070 -0.103 0.000 2.534 503 H HA 0.176 4.732 4.556 -0.000 0.000 0.364 503 H C 0.715 175.991 175.328 -0.087 0.000 1.328 503 H CA -0.863 55.116 56.048 -0.116 0.000 1.415 503 H CB 0.137 29.901 29.762 0.003 0.000 1.573 503 H HN 0.869 nan 8.280 nan 0.000 0.601 504 W N 0.836 122.246 121.300 0.184 0.000 2.342 504 W HA -0.110 4.550 4.660 -0.001 0.000 0.297 504 W C -0.445 176.132 176.519 0.097 0.000 1.213 504 W CA 0.903 58.314 57.345 0.110 0.000 1.251 504 W CB -1.262 28.251 29.460 0.088 0.000 1.136 504 W HN 0.601 nan 8.180 nan 0.000 0.526 505 P HA -0.163 nan 4.420 nan 0.000 0.219 505 P C 1.690 179.090 177.300 0.166 0.000 1.150 505 P CA 1.270 64.503 63.100 0.222 0.000 0.814 505 P CB -0.163 31.647 31.700 0.184 0.000 0.787 506 L N -0.338 120.967 121.223 0.136 0.000 2.109 506 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 506 L C 2.458 179.372 176.870 0.074 0.000 1.086 506 L CA 1.427 56.316 54.840 0.081 0.000 0.760 506 L CB -1.241 40.842 42.059 0.040 0.000 0.910 506 L HN -0.206 nan 8.230 nan 0.000 0.437 507 I N -0.491 120.132 120.570 0.088 0.000 2.252 507 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 507 I C 2.554 178.757 176.117 0.144 0.000 1.102 507 I CA 1.287 62.638 61.300 0.085 0.000 1.385 507 I CB -0.467 37.564 38.000 0.052 0.000 1.064 507 I HN 0.289 nan 8.210 nan 0.000 0.414 508 K N 1.441 121.961 120.400 0.199 0.000 2.063 508 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 508 K C 2.144 178.816 176.600 0.120 0.000 1.048 508 K CA 1.706 58.094 56.287 0.170 0.000 0.928 508 K CB -0.063 32.541 32.500 0.173 0.000 0.713 508 K HN 0.317 nan 8.250 nan 0.000 0.442 509 A N 0.368 123.251 122.820 0.106 0.000 1.929 509 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 509 A C 2.157 179.777 177.584 0.061 0.000 1.176 509 A CA 1.902 53.986 52.037 0.079 0.000 0.628 509 A CB -0.739 18.299 19.000 0.063 0.000 0.816 509 A HN 0.391 nan 8.150 nan 0.000 0.444 510 T N -0.282 114.306 114.554 0.057 0.000 2.777 510 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 510 T C 1.894 176.622 174.700 0.048 0.000 1.040 510 T CA 1.519 63.645 62.100 0.042 0.000 1.141 510 T CB -0.396 68.489 68.868 0.027 0.000 0.868 510 T HN 0.137 nan 8.240 nan 0.000 0.444 511 V N 1.521 121.472 119.914 0.062 0.000 2.332 511 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 511 V C 2.863 178.997 176.094 0.067 0.000 1.055 511 V CA 2.043 64.383 62.300 0.066 0.000 1.038 511 V CB -1.313 30.563 31.823 0.088 0.000 0.651 511 V HN 0.604 nan 8.190 nan 0.000 0.450 512 G N -0.371 108.474 108.800 0.074 0.000 2.422 512 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.218 512 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.218 512 G C 1.553 176.495 174.900 0.069 0.000 1.140 512 G CA 0.975 46.121 45.100 0.076 0.000 0.775 512 G HN 0.460 nan 8.290 nan 0.000 0.545 513 L N 0.615 121.874 121.223 0.059 0.000 2.109 513 L HA 0.201 4.541 4.340 -0.000 0.000 0.207 513 L C 2.532 179.431 176.870 0.048 0.000 1.086 513 L CA 1.205 56.075 54.840 0.050 0.000 0.760 513 L CB -0.397 41.684 42.059 0.036 0.000 0.910 513 L HN 0.226 nan 8.230 nan 0.000 0.437 514 I N -0.514 120.084 120.570 0.047 0.000 2.286 514 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 514 I C 2.718 178.863 176.117 0.047 0.000 1.115 514 I CA 1.176 62.504 61.300 0.046 0.000 1.392 514 I CB -0.377 37.649 38.000 0.044 0.000 1.065 514 I HN 0.332 nan 8.210 nan 0.000 0.418 515 R N 1.267 121.796 120.500 0.048 0.000 2.105 515 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 515 R C 1.825 178.146 176.300 0.036 0.000 1.135 515 R CA 1.995 58.120 56.100 0.042 0.000 0.967 515 R CB -0.287 30.043 30.300 0.051 0.000 0.861 515 R HN 0.502 nan 8.270 nan 0.000 0.442 516 N N -0.117 118.610 118.700 0.044 0.000 2.250 516 N HA -0.067 4.672 4.740 -0.000 0.000 0.181 516 N C 1.799 177.326 175.510 0.029 0.000 1.017 516 N CA 0.714 53.788 53.050 0.040 0.000 0.866 516 N CB 0.035 38.556 38.487 0.056 0.000 0.985 516 N HN 0.152 nan 8.380 nan 0.000 0.429 517 L N 0.694 121.936 121.223 0.032 0.000 2.201 517 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 517 L C 2.280 179.163 176.870 0.023 0.000 1.105 517 L CA 0.413 55.267 54.840 0.023 0.000 0.775 517 L CB -0.303 41.773 42.059 0.029 0.000 0.913 517 L HN 0.215 nan 8.230 nan 0.000 0.440 518 A N -0.358 122.492 122.820 0.050 0.000 2.167 518 A HA -0.013 4.307 4.320 -0.000 0.000 0.214 518 A C 2.146 179.786 177.584 0.094 0.000 1.151 518 A CA 0.615 52.719 52.037 0.111 0.000 0.735 518 A CB -0.404 18.662 19.000 0.109 0.000 0.802 518 A HN 0.369 nan 8.150 nan 0.000 0.467 519 L N -0.929 120.307 121.223 0.021 0.000 2.275 519 L HA -0.087 4.253 4.340 -0.000 0.000 0.215 519 L C 1.285 178.113 176.870 -0.069 0.000 1.119 519 L CA 0.076 54.913 54.840 -0.006 0.000 0.790 519 L CB -0.389 41.663 42.059 -0.012 0.000 0.919 519 L HN 0.509 nan 8.230 nan 0.000 0.443 520 C N 2.011 121.243 119.300 -0.113 0.000 2.394 520 C HA 0.247 4.707 4.460 -0.000 0.000 0.362 520 C C -0.433 174.326 174.990 -0.385 0.000 1.268 520 C CA -1.805 57.110 59.018 -0.172 0.000 1.828 520 C CB 0.560 28.229 27.740 -0.118 0.000 2.442 520 C HN 0.134 nan 8.230 nan 0.000 0.549 521 P HA -0.068 nan 4.420 nan 0.000 0.220 521 P C 1.148 178.198 177.300 -0.416 0.000 1.148 521 P CA 1.730 64.416 63.100 -0.690 0.000 0.803 521 P CB 0.042 31.580 31.700 -0.270 0.000 0.782 522 A N -0.216 122.469 122.820 -0.226 0.000 2.209 522 A HA -0.085 4.234 4.320 -0.000 0.000 0.212 522 A C 1.837 179.365 177.584 -0.093 0.000 1.158 522 A CA 1.074 53.039 52.037 -0.120 0.000 0.742 522 A CB -0.943 18.001 19.000 -0.094 0.000 0.790 522 A HN 0.124 nan 8.150 nan 0.000 0.472 523 N N -1.146 117.479 118.700 -0.125 0.000 2.254 523 N HA 0.079 4.818 4.740 -0.000 0.000 0.190 523 N C 1.082 176.626 175.510 0.056 0.000 1.107 523 N CA 0.301 53.328 53.050 -0.039 0.000 0.869 523 N CB -0.361 38.105 38.487 -0.035 0.000 0.983 523 N HN 0.727 nan 8.380 nan 0.000 0.487 524 H N 0.342 119.417 119.070 0.007 0.000 2.290 524 H HA -0.059 4.497 4.556 -0.000 0.000 0.298 524 H C 1.847 177.190 175.328 0.025 0.000 1.087 524 H CA 1.475 57.534 56.048 0.018 0.000 1.291 524 H CB 0.336 30.113 29.762 0.026 0.000 1.369 524 H HN 0.224 nan 8.280 nan 0.000 0.492 525 A N 0.985 123.898 122.820 0.156 0.000 1.854 525 A HA -0.049 4.270 4.320 -0.000 0.000 0.214 525 A C -0.259 177.357 177.584 0.055 0.000 1.192 525 A CA 0.942 53.027 52.037 0.080 0.000 0.611 525 A CB -1.206 17.819 19.000 0.041 0.000 0.832 525 A HN 0.270 nan 8.150 nan 0.000 0.442 526 P HA -0.118 nan 4.420 nan 0.000 0.219 526 P C 1.296 178.625 177.300 0.049 0.000 1.146 526 P CA 0.660 63.784 63.100 0.040 0.000 0.808 526 P CB 0.031 31.747 31.700 0.027 0.000 0.779 527 L N -0.963 120.297 121.223 0.060 0.000 2.156 527 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 527 L C 2.484 179.390 176.870 0.060 0.000 1.095 527 L CA 1.601 56.479 54.840 0.063 0.000 0.770 527 L CB -0.997 41.106 42.059 0.074 0.000 0.914 527 L HN -0.138 nan 8.230 nan 0.000 0.439 528 R N -0.329 120.206 120.500 0.059 0.000 2.062 528 R HA -0.112 4.228 4.340 -0.000 0.000 0.226 528 R C 1.988 178.314 176.300 0.043 0.000 1.125 528 R CA 1.227 57.357 56.100 0.050 0.000 0.966 528 R CB -0.064 30.265 30.300 0.050 0.000 0.861 528 R HN 0.378 nan 8.270 nan 0.000 0.433 529 E N 0.094 120.316 120.200 0.037 0.000 2.209 529 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 529 E C 1.765 178.387 176.600 0.036 0.000 0.993 529 E CA 0.848 57.266 56.400 0.029 0.000 0.819 529 E CB 0.121 29.835 29.700 0.024 0.000 0.745 529 E HN 0.355 nan 8.360 nan 0.000 0.477 530 Q N -0.711 119.118 119.800 0.048 0.000 2.403 530 Q HA 0.048 4.388 4.340 -0.000 0.000 0.203 530 Q C 0.926 176.972 176.000 0.076 0.000 0.932 530 Q CA 0.736 56.573 55.803 0.057 0.000 0.945 530 Q CB 1.103 29.879 28.738 0.063 0.000 1.045 530 Q HN 0.397 nan 8.270 nan 0.000 0.511 531 G N 0.632 109.474 108.800 0.070 0.000 2.204 531 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.244 531 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.244 531 G C 0.851 175.808 174.900 0.095 0.000 1.062 531 G CA 0.486 45.638 45.100 0.086 0.000 0.798 531 G HN 0.445 nan 8.290 nan 0.000 0.496 532 A N -0.381 122.480 122.820 0.068 0.000 1.897 532 A HA 0.273 4.593 4.320 -0.000 0.000 0.215 532 A C 2.388 179.994 177.584 0.036 0.000 1.181 532 A CA 1.740 53.804 52.037 0.046 0.000 0.620 532 A CB -0.254 18.773 19.000 0.046 0.000 0.821 532 A HN 0.807 nan 8.150 nan 0.000 0.443 533 I N 0.061 120.657 120.570 0.044 0.000 2.163 533 I HA -0.196 3.974 4.170 -0.000 0.000 0.243 533 I C -0.565 175.574 176.117 0.036 0.000 1.085 533 I CA 1.569 62.894 61.300 0.042 0.000 1.347 533 I CB -1.212 36.814 38.000 0.043 0.000 1.044 533 I HN 0.213 nan 8.210 nan 0.000 0.408 534 P HA -0.154 nan 4.420 nan 0.000 0.216 534 P C 1.542 178.858 177.300 0.027 0.000 1.153 534 P CA 1.219 64.340 63.100 0.035 0.000 0.848 534 P CB 0.005 31.735 31.700 0.050 0.000 0.787 535 R N -0.073 120.436 120.500 0.016 0.000 2.075 535 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 535 R C 2.145 178.425 176.300 -0.033 0.000 1.126 535 R CA 1.363 57.433 56.100 -0.049 0.000 0.963 535 R CB -1.568 28.595 30.300 -0.229 0.000 0.858 535 R HN 0.117 nan 8.270 nan 0.000 0.435 536 L N -0.522 120.698 121.223 -0.005 0.000 2.083 536 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 536 L C 2.158 179.056 176.870 0.046 0.000 1.083 536 L CA 0.917 55.774 54.840 0.029 0.000 0.752 536 L CB -0.314 41.772 42.059 0.046 0.000 0.899 536 L HN 0.040 nan 8.230 nan 0.000 0.433 537 V N -0.647 119.285 119.914 0.029 0.000 2.379 537 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 537 V C 2.392 178.492 176.094 0.009 0.000 1.044 537 V CA 1.674 63.977 62.300 0.005 0.000 1.036 537 V CB -0.443 31.365 31.823 -0.025 0.000 0.664 537 V HN 0.505 nan 8.190 nan 0.000 0.453 538 Q N -0.238 119.574 119.800 0.020 0.000 2.084 538 Q HA -0.187 4.152 4.340 -0.000 0.000 0.202 538 Q C 2.221 178.264 176.000 0.070 0.000 0.978 538 Q CA 1.717 57.541 55.803 0.035 0.000 0.844 538 Q CB -0.119 28.637 28.738 0.031 0.000 0.898 538 Q HN 0.595 nan 8.270 nan 0.000 0.426 539 L N 0.230 121.502 121.223 0.083 0.000 2.156 539 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 539 L C 2.327 179.294 176.870 0.163 0.000 1.095 539 L CA 0.255 55.194 54.840 0.164 0.000 0.770 539 L CB -0.268 41.888 42.059 0.163 0.000 0.914 539 L HN 0.319 nan 8.230 nan 0.000 0.439 540 L N -0.893 120.392 121.223 0.104 0.000 2.109 540 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 540 L C 2.261 179.181 176.870 0.083 0.000 1.086 540 L CA 1.542 56.434 54.840 0.087 0.000 0.760 540 L CB -0.243 41.852 42.059 0.060 0.000 0.910 540 L HN -0.087 nan 8.230 nan 0.000 0.437 541 V N -0.021 119.930 119.914 0.063 0.000 2.307 541 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 541 V C 2.700 178.855 176.094 0.102 0.000 1.045 541 V CA 1.965 64.306 62.300 0.068 0.000 1.024 541 V CB -0.662 31.180 31.823 0.031 0.000 0.651 541 V HN 0.430 nan 8.190 nan 0.000 0.449 542 R N 0.363 120.931 120.500 0.112 0.000 2.081 542 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 542 R C 2.391 178.745 176.300 0.090 0.000 1.131 542 R CA 1.528 57.704 56.100 0.126 0.000 0.960 542 R CB -0.590 29.836 30.300 0.209 0.000 0.856 542 R HN 0.531 nan 8.270 nan 0.000 0.436 543 A N 0.150 123.019 122.820 0.080 0.000 1.968 543 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 543 A C 1.859 179.451 177.584 0.014 0.000 1.169 543 A CA 1.456 53.483 52.037 -0.018 0.000 0.638 543 A CB -0.488 18.492 19.000 -0.033 0.000 0.812 543 A HN 0.353 nan 8.150 nan 0.000 0.446 544 H N -0.452 118.608 119.070 -0.017 0.000 2.403 544 H HA 0.045 4.601 4.556 -0.000 0.000 0.298 544 H C 2.058 177.377 175.328 -0.015 0.000 1.059 544 H CA 1.832 57.872 56.048 -0.013 0.000 1.363 544 H CB -0.070 29.694 29.762 0.003 0.000 1.410 544 H HN 0.538 nan 8.280 nan 0.000 0.528 545 Q N -0.280 119.513 119.800 -0.012 0.000 2.167 545 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 545 Q C 1.213 177.164 176.000 -0.082 0.000 0.970 545 Q CA 1.285 57.056 55.803 -0.053 0.000 0.855 545 Q CB 0.288 29.034 28.738 0.013 0.000 0.911 545 Q HN 0.558 nan 8.270 nan 0.000 0.438 546 D N -0.607 119.748 120.400 -0.074 0.000 2.277 546 D HA -0.054 4.585 4.640 -0.000 0.000 0.208 546 D C 1.383 177.612 176.300 -0.118 0.000 0.962 546 D CA 0.959 54.908 54.000 -0.086 0.000 0.865 546 D CB 0.127 40.869 40.800 -0.096 0.000 0.939 546 D HN 0.150 nan 8.370 nan 0.000 0.510 547 T N 0.603 115.064 114.554 -0.154 0.000 3.043 547 T HA -0.040 4.310 4.350 -0.000 0.000 0.263 547 T C 1.643 176.236 174.700 -0.178 0.000 1.094 547 T CA 0.621 62.622 62.100 -0.165 0.000 1.127 547 T CB 0.266 69.032 68.868 -0.170 0.000 0.905 547 T HN 0.028 nan 8.240 nan 0.000 0.490 548 Q N 0.558 120.232 119.800 -0.210 0.000 2.408 548 Q HA 0.240 4.579 4.340 -0.000 0.000 0.205 548 Q C 1.955 177.894 176.000 -0.101 0.000 0.919 548 Q CA 0.375 56.075 55.803 -0.172 0.000 0.932 548 Q CB 0.095 28.708 28.738 -0.208 0.000 1.058 548 Q HN 0.439 nan 8.270 nan 0.000 0.517 549 R N -0.042 120.407 120.500 -0.087 0.000 2.246 549 R HA 0.121 4.460 4.340 -0.000 0.000 0.199 549 R C 1.551 177.820 176.300 -0.052 0.000 0.984 549 R CA 0.865 56.931 56.100 -0.057 0.000 1.015 549 R CB 0.296 30.570 30.300 -0.044 0.000 0.930 549 R HN 0.002 nan 8.270 nan 0.000 0.475 550 R N 0.622 121.084 120.500 -0.064 0.000 2.700 550 R HA 0.159 4.498 4.340 -0.000 0.000 0.399 550 R C 0.942 177.208 176.300 -0.056 0.000 1.115 550 R CA -0.110 55.957 56.100 -0.056 0.000 1.058 550 R CB -0.784 29.479 30.300 -0.061 0.000 1.389 550 R HN 0.012 nan 8.270 nan 0.000 0.582 551 T N 0.117 114.637 114.554 -0.057 0.000 2.851 551 T HA -0.040 4.310 4.350 -0.000 0.000 0.262 551 T C 1.475 176.153 174.700 -0.037 0.000 1.043 551 T CA 1.557 63.627 62.100 -0.051 0.000 1.140 551 T CB 0.005 68.839 68.868 -0.056 0.000 0.872 551 T HN 0.702 nan 8.240 nan 0.000 0.446 560 F N 1.741 121.668 119.950 -0.038 0.000 2.293 560 F HA 0.487 5.014 4.527 -0.000 0.000 0.370 560 F C 0.005 175.781 175.800 -0.040 0.000 1.090 560 F CA -0.707 57.269 58.000 -0.041 0.000 1.133 560 F CB 1.690 40.679 39.000 -0.018 0.000 1.360 560 F HN 0.183 nan 8.300 nan 0.000 0.489 561 V N 3.968 123.890 119.914 0.013 0.000 2.405 561 V HA 0.083 4.203 4.120 -0.000 0.000 0.264 561 V C 0.643 176.789 176.094 0.086 0.000 1.048 561 V CA -0.322 61.978 62.300 0.000 0.000 0.966 561 V CB 0.094 31.829 31.823 -0.148 0.000 1.015 561 V HN 0.874 nan 8.190 nan 0.000 0.477 562 E N 3.542 123.832 120.200 0.150 0.000 3.170 562 E HA -0.301 4.048 4.350 -0.000 0.000 0.284 562 E C 1.240 177.944 176.600 0.174 0.000 0.967 562 E CA 0.695 57.199 56.400 0.173 0.000 0.919 562 E CB -1.299 28.575 29.700 0.291 0.000 1.469 562 E HN 1.400 nan 8.360 nan 0.000 0.444 563 G N -1.577 107.342 108.800 0.198 0.000 2.184 563 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.206 563 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.206 563 G C 0.107 175.239 174.900 0.386 0.000 0.995 563 G CA -0.021 45.220 45.100 0.235 0.000 0.651 563 G HN 0.345 nan 8.290 nan 0.000 0.511 564 V N 0.656 120.726 119.914 0.259 0.000 2.823 564 V HA 0.656 4.776 4.120 -0.000 0.000 0.312 564 V C 0.578 176.569 176.094 -0.172 0.000 1.072 564 V CA -1.182 61.186 62.300 0.114 0.000 0.937 564 V CB 1.860 33.730 31.823 0.079 0.000 1.013 564 V HN 0.331 nan 8.190 nan 0.000 0.430 565 R N 2.250 122.546 120.500 -0.339 0.000 2.490 565 R HA 0.355 4.694 4.340 -0.000 0.000 0.278 565 R C 0.879 176.983 176.300 -0.327 0.000 1.069 565 R CA -0.616 55.215 56.100 -0.449 0.000 1.080 565 R CB 0.646 30.656 30.300 -0.484 0.000 1.030 565 R HN 0.595 nan 8.270 nan 0.000 0.491 566 M N 1.601 121.004 119.600 -0.328 0.000 2.476 566 M HA -0.061 4.419 4.480 -0.000 0.000 0.262 566 M C 0.958 177.145 176.300 -0.188 0.000 1.079 566 M CA 1.497 56.608 55.300 -0.315 0.000 1.104 566 M CB -0.405 32.011 32.600 -0.306 0.000 1.409 566 M HN 0.579 nan 8.290 nan 0.000 0.467 567 E N 0.182 120.292 120.200 -0.150 0.000 2.358 567 E HA -0.100 4.249 4.350 -0.000 0.000 0.195 567 E C 1.726 178.295 176.600 -0.051 0.000 1.010 567 E CA 0.637 56.990 56.400 -0.077 0.000 0.856 567 E CB 0.027 29.684 29.700 -0.072 0.000 0.795 567 E HN 0.538 nan 8.360 nan 0.000 0.504 568 E N 0.118 120.273 120.200 -0.074 0.000 2.158 568 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 568 E C 1.605 178.206 176.600 0.001 0.000 0.982 568 E CA 0.482 56.864 56.400 -0.029 0.000 0.823 568 E CB 0.138 29.820 29.700 -0.029 0.000 0.766 568 E HN 0.223 nan 8.360 nan 0.000 0.468 569 I N 0.731 121.284 120.570 -0.028 0.000 2.439 569 I HA -0.152 4.018 4.170 -0.000 0.000 0.251 569 I C 2.293 178.438 176.117 0.047 0.000 1.139 569 I CA 0.835 62.148 61.300 0.021 0.000 1.438 569 I CB -0.753 37.218 38.000 -0.048 0.000 1.085 569 I HN -0.002 nan 8.210 nan 0.000 0.427 570 V N 0.766 120.696 119.914 0.027 0.000 2.358 570 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 570 V C 2.557 178.690 176.094 0.064 0.000 1.047 570 V CA 1.661 63.997 62.300 0.061 0.000 1.035 570 V CB -0.567 31.300 31.823 0.073 0.000 0.658 570 V HN 0.428 nan 8.190 nan 0.000 0.452 571 E N 0.434 120.662 120.200 0.045 0.000 2.047 571 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 571 E C 2.290 178.923 176.600 0.055 0.000 0.987 571 E CA 1.358 57.783 56.400 0.043 0.000 0.799 571 E CB -0.336 29.383 29.700 0.033 0.000 0.752 571 E HN 0.572 nan 8.360 nan 0.000 0.449 572 G N 0.560 109.398 108.800 0.063 0.000 2.421 572 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 572 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 572 G C 1.774 176.723 174.900 0.081 0.000 1.171 572 G CA 0.949 46.093 45.100 0.073 0.000 0.775 572 G HN 0.363 nan 8.290 nan 0.000 0.543 573 C N 0.480 119.834 119.300 0.091 0.000 2.446 573 C HA 0.013 4.473 4.460 -0.000 0.000 0.277 573 C C 3.242 178.304 174.990 0.120 0.000 1.275 573 C CA 1.520 60.599 59.018 0.102 0.000 1.727 573 C CB -0.925 26.881 27.740 0.110 0.000 2.010 573 C HN 0.426 nan 8.230 nan 0.000 0.486 574 T N 0.345 114.974 114.554 0.124 0.000 2.867 574 T HA -0.019 4.331 4.350 -0.000 0.000 0.268 574 T C 1.924 176.654 174.700 0.049 0.000 1.057 574 T CA 1.555 63.728 62.100 0.122 0.000 1.136 574 T CB -0.428 68.490 68.868 0.084 0.000 0.874 574 T HN 0.699 nan 8.240 nan 0.000 0.466 575 G N 0.928 109.767 108.800 0.065 0.000 2.403 575 G HA2 0.058 4.017 3.960 -0.000 0.000 0.216 575 G HA3 0.058 4.017 3.960 -0.000 0.000 0.216 575 G C 1.750 176.697 174.900 0.078 0.000 1.154 575 G CA 0.710 45.862 45.100 0.087 0.000 0.784 575 G HN 0.556 nan 8.290 nan 0.000 0.538 576 A N 0.344 123.204 122.820 0.067 0.000 1.968 576 A HA 0.262 4.582 4.320 -0.000 0.000 0.217 576 A C 2.330 179.940 177.584 0.043 0.000 1.169 576 A CA 0.723 52.790 52.037 0.051 0.000 0.638 576 A CB -0.253 18.782 19.000 0.058 0.000 0.812 576 A HN 0.331 nan 8.150 nan 0.000 0.446 577 L N -1.246 120.020 121.223 0.071 0.000 2.217 577 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 577 L C 2.578 179.467 176.870 0.032 0.000 1.107 577 L CA 1.249 56.136 54.840 0.078 0.000 0.783 577 L CB -0.511 41.659 42.059 0.184 0.000 0.919 577 L HN 0.631 nan 8.230 nan 0.000 0.442 578 H N 0.894 119.900 119.070 -0.106 0.000 2.299 578 H HA -0.146 4.410 4.556 -0.000 0.000 0.302 578 H C 2.066 177.324 175.328 -0.117 0.000 1.078 578 H CA 1.777 57.719 56.048 -0.178 0.000 1.323 578 H CB 0.015 29.648 29.762 -0.215 0.000 1.381 578 H HN 0.040 nan 8.280 nan 0.000 0.498 579 I N 0.090 120.468 120.570 -0.320 0.000 2.546 579 I HA -0.155 4.014 4.170 -0.000 0.000 0.255 579 I C 2.106 178.137 176.117 -0.144 0.000 1.163 579 I CA 0.531 61.655 61.300 -0.294 0.000 1.457 579 I CB -0.975 36.924 38.000 -0.167 0.000 1.092 579 I HN 0.283 nan 8.210 nan 0.000 0.434 580 L N 1.202 122.360 121.223 -0.109 0.000 2.240 580 L HA 0.090 4.429 4.340 -0.000 0.000 0.211 580 L C 2.374 179.107 176.870 -0.229 0.000 1.106 580 L CA 1.195 55.947 54.840 -0.146 0.000 0.793 580 L CB -1.175 40.859 42.059 -0.041 0.000 0.927 580 L HN 0.166 nan 8.230 nan 0.000 0.446 581 A N -1.244 121.493 122.820 -0.139 0.000 2.255 581 A HA -0.083 4.237 4.320 -0.000 0.000 0.206 581 A C 2.193 179.699 177.584 -0.130 0.000 1.193 581 A CA 0.368 52.342 52.037 -0.105 0.000 0.794 581 A CB -0.599 18.374 19.000 -0.044 0.000 0.794 581 A HN 0.357 nan 8.150 nan 0.000 0.481 582 R N 0.018 120.394 120.500 -0.206 0.000 2.193 582 R HA -0.013 4.327 4.340 -0.000 0.000 0.213 582 R C 0.282 176.493 176.300 -0.148 0.000 1.055 582 R CA 0.665 56.682 56.100 -0.138 0.000 0.995 582 R CB 0.058 30.322 30.300 -0.061 0.000 0.893 582 R HN 0.559 nan 8.270 nan 0.000 0.459 583 D N 0.319 120.541 120.400 -0.296 0.000 2.210 583 D HA -0.007 4.633 4.640 -0.000 0.000 0.249 583 D C 0.893 177.131 176.300 -0.103 0.000 1.078 583 D CA -0.102 53.800 54.000 -0.164 0.000 0.875 583 D CB 2.272 42.938 40.800 -0.223 0.000 1.175 583 D HN -0.192 nan 8.370 nan 0.000 0.440 584 V N 5.449 125.298 119.914 -0.108 0.000 2.427 584 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 584 V C 1.854 177.835 176.094 -0.188 0.000 1.051 584 V CA 1.595 63.790 62.300 -0.176 0.000 1.048 584 V CB -0.595 31.079 31.823 -0.248 0.000 0.666 584 V HN 0.622 nan 8.190 nan 0.000 0.456 585 H N -0.051 119.014 119.070 -0.008 0.000 2.462 585 H HA -0.014 4.541 4.556 -0.000 0.000 0.292 585 H C 2.169 177.493 175.328 -0.007 0.000 1.049 585 H CA 1.485 57.532 56.048 -0.001 0.000 1.334 585 H CB -0.181 29.586 29.762 0.009 0.000 1.404 585 H HN 0.458 nan 8.280 nan 0.000 0.544 586 N N 1.046 119.792 118.700 0.075 0.000 2.216 586 N HA -0.067 4.673 4.740 -0.000 0.000 0.183 586 N C 2.003 177.522 175.510 0.015 0.000 1.017 586 N CA 0.450 53.515 53.050 0.026 0.000 0.861 586 N CB -0.160 38.303 38.487 -0.041 0.000 0.986 586 N HN 0.333 nan 8.380 nan 0.000 0.428 587 R N 0.470 120.967 120.500 -0.006 0.000 2.120 587 R HA 0.031 4.371 4.340 -0.000 0.000 0.234 587 R C 2.075 178.386 176.300 0.018 0.000 1.123 587 R CA 0.779 56.880 56.100 0.002 0.000 0.975 587 R CB -0.273 30.016 30.300 -0.019 0.000 0.866 587 R HN 0.274 nan 8.270 nan 0.000 0.446 588 I N 0.088 120.668 120.570 0.017 0.000 2.252 588 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 588 I C 2.183 178.318 176.117 0.030 0.000 1.102 588 I CA 1.046 62.361 61.300 0.024 0.000 1.385 588 I CB -0.229 37.791 38.000 0.034 0.000 1.064 588 I HN -0.054 nan 8.210 nan 0.000 0.414 589 V N 1.123 121.059 119.914 0.037 0.000 2.358 589 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 589 V C 2.312 178.424 176.094 0.030 0.000 1.047 589 V CA 1.718 64.039 62.300 0.034 0.000 1.035 589 V CB -0.468 31.378 31.823 0.040 0.000 0.658 589 V HN 0.326 nan 8.190 nan 0.000 0.452 590 I N -0.050 120.545 120.570 0.042 0.000 2.252 590 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 590 I C 2.754 178.896 176.117 0.041 0.000 1.102 590 I CA 1.829 63.164 61.300 0.058 0.000 1.385 590 I CB -0.409 37.658 38.000 0.112 0.000 1.064 590 I HN 0.213 nan 8.210 nan 0.000 0.414 591 R N 1.269 121.794 120.500 0.042 0.000 2.090 591 R HA -0.084 4.255 4.340 -0.000 0.000 0.228 591 R C 2.245 178.548 176.300 0.006 0.000 1.110 591 R CA 1.390 57.507 56.100 0.029 0.000 0.973 591 R CB -0.434 29.885 30.300 0.031 0.000 0.869 591 R HN 0.371 nan 8.270 nan 0.000 0.440 592 G N 0.413 109.218 108.800 0.009 0.000 2.559 592 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.216 592 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.216 592 G C 1.061 175.957 174.900 -0.006 0.000 1.126 592 G CA 0.212 45.314 45.100 0.003 0.000 0.778 592 G HN 0.264 nan 8.290 nan 0.000 0.543 593 L N 0.090 121.303 121.223 -0.017 0.000 2.685 593 L HA 0.251 4.591 4.340 -0.000 0.000 0.233 593 L C 0.715 177.551 176.870 -0.057 0.000 1.173 593 L CA -0.442 54.379 54.840 -0.031 0.000 0.961 593 L CB -0.300 41.741 42.059 -0.030 0.000 1.217 593 L HN 0.187 nan 8.230 nan 0.000 0.478 594 N N 0.211 118.879 118.700 -0.053 0.000 2.641 594 N HA -0.202 4.538 4.740 -0.000 0.000 0.267 594 N C 0.424 175.856 175.510 -0.131 0.000 1.087 594 N CA 0.999 54.009 53.050 -0.067 0.000 0.731 594 N CB -0.611 37.847 38.487 -0.048 0.000 0.886 594 N HN 0.203 nan 8.380 nan 0.000 0.547 595 T N 0.591 115.036 114.554 -0.181 0.000 3.010 595 T HA 0.256 4.605 4.350 -0.000 0.000 0.257 595 T C 1.823 176.245 174.700 -0.463 0.000 1.020 595 T CA 0.133 61.985 62.100 -0.413 0.000 0.938 595 T CB 0.150 68.720 68.868 -0.496 0.000 1.049 595 T HN 0.392 nan 8.240 nan 0.000 0.522 596 I N 1.846 122.332 120.570 -0.141 0.000 2.315 596 I HA -0.065 4.105 4.170 -0.000 0.000 0.248 596 I C -0.847 175.273 176.117 0.005 0.000 1.117 596 I CA 1.125 62.435 61.300 0.017 0.000 1.404 596 I CB -0.947 37.087 38.000 0.056 0.000 1.071 596 I HN 0.139 nan 8.210 nan 0.000 0.419 597 P HA -0.158 nan 4.420 nan 0.000 0.217 597 P C 1.805 179.090 177.300 -0.025 0.000 1.151 597 P CA 0.978 64.070 63.100 -0.014 0.000 0.828 597 P CB 0.054 31.740 31.700 -0.023 0.000 0.788 598 L N -1.612 119.537 121.223 -0.124 0.000 2.056 598 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 598 L C 1.963 178.784 176.870 -0.081 0.000 1.078 598 L CA 1.947 56.675 54.840 -0.187 0.000 0.749 598 L CB -1.404 40.456 42.059 -0.331 0.000 0.901 598 L HN -0.163 nan 8.230 nan 0.000 0.433 599 F N -0.792 119.107 119.950 -0.085 0.000 2.234 599 F HA -0.082 4.445 4.527 -0.001 0.000 0.299 599 F C 2.418 178.175 175.800 -0.072 0.000 1.087 599 F CA 1.066 59.014 58.000 -0.086 0.000 1.340 599 F CB -1.129 37.827 39.000 -0.074 0.000 1.031 599 F HN -0.067 nan 8.300 nan 0.000 0.500 600 V N -0.820 119.186 119.914 0.154 0.000 2.719 600 V HA -0.162 3.958 4.120 -0.000 0.000 0.252 600 V C 2.237 178.406 176.094 0.124 0.000 1.065 600 V CA 1.098 63.450 62.300 0.087 0.000 1.086 600 V CB -0.491 31.388 31.823 0.093 0.000 0.700 600 V HN 0.239 nan 8.190 nan 0.000 0.467 601 Q N -0.123 119.770 119.800 0.154 0.000 2.297 601 Q HA 0.068 4.408 4.340 -0.000 0.000 0.204 601 Q C 1.997 178.128 176.000 0.220 0.000 0.962 601 Q CA 1.007 56.956 55.803 0.244 0.000 0.879 601 Q CB -0.042 28.776 28.738 0.135 0.000 0.947 601 Q HN 0.544 nan 8.270 nan 0.000 0.462 602 L N 0.186 121.463 121.223 0.090 0.000 2.599 602 L HA 0.017 4.356 4.340 -0.000 0.000 0.230 602 L C 1.667 178.548 176.870 0.019 0.000 1.141 602 L CA 0.081 54.959 54.840 0.065 0.000 0.877 602 L CB -0.091 41.994 42.059 0.042 0.000 1.009 602 L HN 0.105 nan 8.230 nan 0.000 0.447 603 L N -1.869 119.320 121.223 -0.057 0.000 2.509 603 L HA -0.048 4.292 4.340 -0.000 0.000 0.222 603 L C 1.478 178.198 176.870 -0.249 0.000 1.123 603 L CA 0.554 55.269 54.840 -0.207 0.000 0.856 603 L CB -0.087 41.760 42.059 -0.354 0.000 0.985 603 L HN 0.245 nan 8.230 nan 0.000 0.456 604 Y N -0.654 119.665 120.300 0.031 0.000 2.462 604 Y HA 0.101 4.651 4.550 -0.000 0.000 0.261 604 Y C 1.724 177.645 175.900 0.034 0.000 1.146 604 Y CA -0.556 57.564 58.100 0.032 0.000 1.283 604 Y CB 0.167 38.648 38.460 0.036 0.000 1.090 604 Y HN 0.048 nan 8.280 nan 0.000 0.526 605 S N 2.224 118.024 115.700 0.167 0.000 2.549 605 S HA 0.031 4.501 4.470 -0.000 0.000 0.283 605 S C -1.411 173.232 174.600 0.073 0.000 1.320 605 S CA -1.110 57.160 58.200 0.116 0.000 1.058 605 S CB 0.997 64.259 63.200 0.104 0.000 0.882 605 S HN 0.131 nan 8.310 nan 0.000 0.498 606 P HA -0.018 nan 4.420 nan 0.000 0.218 606 P C 0.320 177.636 177.300 0.027 0.000 1.149 606 P CA 0.763 63.886 63.100 0.039 0.000 0.817 606 P CB -0.111 31.607 31.700 0.029 0.000 0.785 607 I N 1.223 121.807 120.570 0.024 0.000 2.436 607 I HA 0.045 4.215 4.170 -0.000 0.000 0.289 607 I C 2.004 178.131 176.117 0.016 0.000 1.083 607 I CA 0.036 61.346 61.300 0.016 0.000 1.372 607 I CB 0.379 38.385 38.000 0.011 0.000 1.408 607 I HN -0.065 nan 8.210 nan 0.000 0.516 608 E N 5.199 125.408 120.200 0.014 0.000 2.160 608 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 608 E C 1.501 178.108 176.600 0.011 0.000 0.991 608 E CA 1.315 57.722 56.400 0.011 0.000 0.810 608 E CB 0.197 29.904 29.700 0.012 0.000 0.742 608 E HN 0.637 nan 8.360 nan 0.000 0.466 609 N N 0.354 119.062 118.700 0.014 0.000 2.309 609 N HA -0.123 4.617 4.740 -0.000 0.000 0.182 609 N C 1.758 177.273 175.510 0.008 0.000 1.018 609 N CA 0.861 53.921 53.050 0.016 0.000 0.876 609 N CB 0.050 38.550 38.487 0.022 0.000 0.972 609 N HN 0.293 nan 8.380 nan 0.000 0.434 610 I N 1.553 122.127 120.570 0.006 0.000 2.286 610 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 610 I C 2.020 178.122 176.117 -0.026 0.000 1.104 610 I CA 0.978 62.279 61.300 0.002 0.000 1.397 610 I CB -0.946 37.069 38.000 0.025 0.000 1.072 610 I HN 0.131 nan 8.210 nan 0.000 0.417 611 Q N 0.326 120.112 119.800 -0.022 0.000 2.224 611 Q HA -0.169 4.171 4.340 -0.000 0.000 0.203 611 Q C 2.319 178.284 176.000 -0.059 0.000 0.970 611 Q CA 1.016 56.793 55.803 -0.044 0.000 0.865 611 Q CB -0.137 28.584 28.738 -0.029 0.000 0.922 611 Q HN 0.427 nan 8.270 nan 0.000 0.445 612 R N 0.743 121.223 120.500 -0.034 0.000 2.057 612 R HA -0.111 4.228 4.340 -0.000 0.000 0.229 612 R C 2.251 178.469 176.300 -0.137 0.000 1.136 612 R CA 1.564 57.662 56.100 -0.004 0.000 0.952 612 R CB -0.051 30.275 30.300 0.042 0.000 0.848 612 R HN 0.288 nan 8.270 nan 0.000 0.430 613 V N -1.912 117.903 119.914 -0.164 0.000 2.871 613 V HA 0.132 4.251 4.120 -0.000 0.000 0.256 613 V C 2.064 177.904 176.094 -0.423 0.000 1.082 613 V CA 1.347 63.468 62.300 -0.298 0.000 1.105 613 V CB -0.362 31.399 31.823 -0.104 0.000 0.713 613 V HN 0.344 nan 8.190 nan 0.000 0.473 614 A N 0.849 123.484 122.820 -0.309 0.000 1.898 614 A HA 0.316 4.635 4.320 -0.000 0.000 0.214 614 A C 2.399 179.744 177.584 -0.398 0.000 1.183 614 A CA 1.648 53.481 52.037 -0.340 0.000 0.622 614 A CB -0.853 18.051 19.000 -0.160 0.000 0.824 614 A HN 0.847 nan 8.150 nan 0.000 0.444 615 A N -0.576 122.052 122.820 -0.320 0.000 2.066 615 A HA 0.255 4.575 4.320 -0.000 0.000 0.218 615 A C 2.232 179.514 177.584 -0.504 0.000 1.157 615 A CA 1.522 53.393 52.037 -0.275 0.000 0.670 615 A CB -0.983 17.952 19.000 -0.109 0.000 0.804 615 A HN 0.627 nan 8.150 nan 0.000 0.453 616 G N -0.960 107.300 108.800 -0.900 0.000 2.403 616 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.216 616 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.216 616 G C 1.535 175.799 174.900 -1.060 0.000 1.154 616 G CA 1.099 45.179 45.100 -1.701 0.000 0.784 616 G HN 0.410 nan 8.290 nan 0.000 0.538 617 V N 0.380 119.830 119.914 -0.773 0.000 2.591 617 V HA 0.154 4.274 4.120 -0.000 0.000 0.249 617 V C 2.685 178.539 176.094 -0.400 0.000 1.053 617 V CA 0.967 62.958 62.300 -0.515 0.000 1.068 617 V CB -0.101 31.245 31.823 -0.795 0.000 0.689 617 V HN 0.362 nan 8.190 nan 0.000 0.462 618 L N -0.529 120.449 121.223 -0.408 0.000 2.291 618 L HA -0.140 4.200 4.340 -0.000 0.000 0.214 618 L C 2.657 179.445 176.870 -0.137 0.000 1.120 618 L CA 1.409 56.123 54.840 -0.210 0.000 0.799 618 L CB -0.574 41.385 42.059 -0.166 0.000 0.925 618 L HN 0.570 nan 8.230 nan 0.000 0.446 619 C N 0.090 119.280 119.300 -0.183 0.000 2.466 619 C HA -0.089 4.370 4.460 -0.000 0.000 0.278 619 C C 2.730 177.696 174.990 -0.040 0.000 1.288 619 C CA 0.584 59.554 59.018 -0.080 0.000 1.722 619 C CB -0.408 27.288 27.740 -0.074 0.000 2.017 619 C HN 0.464 nan 8.230 nan 0.000 0.488 620 E N 0.734 120.891 120.200 -0.072 0.000 2.106 620 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 620 E C 2.132 178.717 176.600 -0.025 0.000 0.984 620 E CA 1.079 57.463 56.400 -0.027 0.000 0.806 620 E CB -0.478 29.209 29.700 -0.021 0.000 0.750 620 E HN 0.693 nan 8.360 nan 0.000 0.458 621 L N 0.394 121.595 121.223 -0.036 0.000 2.217 621 L HA -0.032 4.308 4.340 -0.000 0.000 0.211 621 L C 2.378 179.246 176.870 -0.003 0.000 1.107 621 L CA 0.654 55.489 54.840 -0.009 0.000 0.783 621 L CB -0.325 41.743 42.059 0.015 0.000 0.919 621 L HN 0.029 nan 8.230 nan 0.000 0.442 622 A N 0.328 123.144 122.820 -0.007 0.000 2.067 622 A HA -0.216 4.103 4.320 -0.000 0.000 0.219 622 A C 2.231 179.819 177.584 0.006 0.000 1.158 622 A CA 1.392 53.430 52.037 0.002 0.000 0.661 622 A CB -0.401 18.604 19.000 0.007 0.000 0.801 622 A HN 0.644 nan 8.150 nan 0.000 0.452 623 Q N -0.634 119.171 119.800 0.008 0.000 2.378 623 Q HA -0.041 4.299 4.340 -0.000 0.000 0.205 623 Q C -0.641 175.357 176.000 -0.003 0.000 0.954 623 Q CA 0.695 56.504 55.803 0.010 0.000 0.901 623 Q CB -0.229 28.519 28.738 0.017 0.000 0.981 623 Q HN 0.332 nan 8.270 nan 0.000 0.483 624 D N 1.941 122.337 120.400 -0.007 0.000 2.402 624 D HA 0.043 4.683 4.640 -0.000 0.000 0.235 624 D C 0.485 176.780 176.300 -0.008 0.000 1.226 624 D CA 0.026 54.020 54.000 -0.011 0.000 0.918 624 D CB 1.485 42.277 40.800 -0.014 0.000 1.043 624 D HN 0.109 nan 8.370 nan 0.000 0.506 625 K N 2.349 122.743 120.400 -0.011 0.000 2.077 625 K HA -0.249 4.070 4.320 -0.000 0.000 0.213 625 K C 1.543 178.137 176.600 -0.011 0.000 1.051 625 K CA 1.530 57.810 56.287 -0.013 0.000 0.929 625 K CB 0.077 32.568 32.500 -0.015 0.000 0.715 625 K HN 0.387 nan 8.250 nan 0.000 0.451 626 E N -1.058 119.138 120.200 -0.008 0.000 2.204 626 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 626 E C 1.623 178.223 176.600 -0.000 0.000 0.989 626 E CA 0.949 57.347 56.400 -0.004 0.000 0.824 626 E CB -0.094 29.604 29.700 -0.003 0.000 0.756 626 E HN 0.433 nan 8.360 nan 0.000 0.477 627 A N 0.990 123.811 122.820 0.002 0.000 1.930 627 A HA 0.075 4.394 4.320 -0.000 0.000 0.215 627 A C 2.333 179.922 177.584 0.009 0.000 1.176 627 A CA 1.208 53.251 52.037 0.009 0.000 0.632 627 A CB -0.416 18.592 19.000 0.013 0.000 0.819 627 A HN 0.350 nan 8.150 nan 0.000 0.445 628 A N 0.031 122.852 122.820 0.001 0.000 1.972 628 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 628 A C 1.858 179.441 177.584 -0.002 0.000 1.169 628 A CA 1.644 53.680 52.037 -0.002 0.000 0.635 628 A CB -0.416 18.577 19.000 -0.011 0.000 0.810 628 A HN 0.643 nan 8.150 nan 0.000 0.446 629 E N -0.586 119.612 120.200 -0.003 0.000 2.216 629 E HA 0.049 4.399 4.350 -0.000 0.000 0.192 629 E C 2.133 178.735 176.600 0.004 0.000 0.988 629 E CA 0.653 57.052 56.400 -0.002 0.000 0.834 629 E CB -0.147 29.550 29.700 -0.004 0.000 0.772 629 E HN 0.619 nan 8.360 nan 0.000 0.479 630 A N 0.749 123.573 122.820 0.008 0.000 2.016 630 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 630 A C 2.028 179.624 177.584 0.019 0.000 1.162 630 A CA 0.512 52.557 52.037 0.013 0.000 0.662 630 A CB -0.235 18.773 19.000 0.014 0.000 0.812 630 A HN 0.099 nan 8.150 nan 0.000 0.450 631 I N -0.892 119.690 120.570 0.020 0.000 2.406 631 I HA -0.158 4.012 4.170 -0.000 0.000 0.249 631 I C 2.453 178.583 176.117 0.021 0.000 1.122 631 I CA 1.405 62.720 61.300 0.025 0.000 1.431 631 I CB -0.150 37.863 38.000 0.020 0.000 1.087 631 I HN 0.444 nan 8.210 nan 0.000 0.424 632 E N 1.304 121.512 120.200 0.014 0.000 2.152 632 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 632 E C 2.216 178.826 176.600 0.017 0.000 0.983 632 E CA 0.949 57.356 56.400 0.013 0.000 0.818 632 E CB 0.075 29.778 29.700 0.005 0.000 0.758 632 E HN 0.460 nan 8.360 nan 0.000 0.467 633 A N 0.618 123.448 122.820 0.016 0.000 2.119 633 A HA -0.108 4.211 4.320 -0.000 0.000 0.217 633 A C 1.774 179.372 177.584 0.023 0.000 1.153 633 A CA 1.038 53.085 52.037 0.016 0.000 0.692 633 A CB -0.120 18.887 19.000 0.012 0.000 0.799 633 A HN 0.122 nan 8.150 nan 0.000 0.458 634 E N -0.724 119.494 120.200 0.029 0.000 2.465 634 E HA 0.315 4.665 4.350 -0.000 0.000 0.191 634 E C 0.843 177.477 176.600 0.056 0.000 1.053 634 E CA 0.505 56.929 56.400 0.040 0.000 0.869 634 E CB -0.443 29.282 29.700 0.042 0.000 0.977 634 E HN 0.639 nan 8.360 nan 0.000 0.483 635 G N 0.233 109.063 108.800 0.049 0.000 2.298 635 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.287 635 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.287 635 G C 0.712 175.656 174.900 0.072 0.000 1.075 635 G CA 0.319 45.457 45.100 0.062 0.000 0.960 635 G HN 0.420 nan 8.290 nan 0.000 0.502 636 A N -0.946 121.899 122.820 0.043 0.000 2.195 636 A HA 0.401 4.720 4.320 -0.000 0.000 0.210 636 A C 2.279 179.865 177.584 0.004 0.000 1.165 636 A CA 1.988 54.035 52.037 0.017 0.000 0.806 636 A CB -0.145 18.859 19.000 0.007 0.000 0.847 636 A HN 0.683 nan 8.150 nan 0.000 0.482 637 T N 0.404 114.969 114.554 0.018 0.000 2.788 637 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 637 T C 2.201 176.913 174.700 0.020 0.000 1.044 637 T CA 1.518 63.628 62.100 0.017 0.000 1.139 637 T CB -0.247 68.633 68.868 0.020 0.000 0.867 637 T HN 0.560 nan 8.240 nan 0.000 0.454 638 A N 2.152 124.993 122.820 0.035 0.000 1.872 638 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 638 A C 0.446 178.045 177.584 0.024 0.000 1.187 638 A CA 0.882 52.947 52.037 0.047 0.000 0.614 638 A CB -1.324 17.726 19.000 0.082 0.000 0.826 638 A HN 0.428 nan 8.150 nan 0.000 0.442 639 P HA -0.028 nan 4.420 nan 0.000 0.222 639 P C 1.274 178.503 177.300 -0.119 0.000 1.153 639 P CA 0.695 63.703 63.100 -0.153 0.000 0.798 639 P CB -0.093 31.293 31.700 -0.523 0.000 0.796 640 L N -0.649 120.525 121.223 -0.081 0.000 2.376 640 L HA -0.027 4.312 4.340 -0.000 0.000 0.219 640 L C 2.309 179.168 176.870 -0.018 0.000 1.133 640 L CA 1.188 55.997 54.840 -0.052 0.000 0.816 640 L CB -1.142 40.895 42.059 -0.037 0.000 0.933 640 L HN -0.023 nan 8.230 nan 0.000 0.449 641 T N -1.342 113.213 114.554 0.002 0.000 2.942 641 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 641 T C 1.612 176.348 174.700 0.061 0.000 1.062 641 T CA 0.866 62.985 62.100 0.032 0.000 1.139 641 T CB 0.063 68.956 68.868 0.041 0.000 0.883 641 T HN 0.156 nan 8.240 nan 0.000 0.468 642 E N 0.675 120.901 120.200 0.043 0.000 2.371 642 E HA 0.221 4.570 4.350 -0.000 0.000 0.194 642 E C 1.669 178.301 176.600 0.052 0.000 1.012 642 E CA 0.185 56.623 56.400 0.062 0.000 0.860 642 E CB -0.157 29.569 29.700 0.043 0.000 0.811 642 E HN 0.393 nan 8.360 nan 0.000 0.502 643 L N -0.085 121.145 121.223 0.012 0.000 2.558 643 L HA 0.089 4.429 4.340 -0.000 0.000 0.225 643 L C 1.687 178.547 176.870 -0.017 0.000 1.128 643 L CA 0.088 54.924 54.840 -0.007 0.000 0.868 643 L CB -0.007 42.030 42.059 -0.037 0.000 1.006 643 L HN 0.180 nan 8.230 nan 0.000 0.454 644 L N -0.615 120.590 121.223 -0.030 0.000 2.083 644 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 644 L C 1.435 178.152 176.870 -0.255 0.000 1.083 644 L CA 0.984 55.733 54.840 -0.151 0.000 0.752 644 L CB -0.260 41.674 42.059 -0.208 0.000 0.899 644 L HN 0.397 nan 8.230 nan 0.000 0.433 645 H N -0.615 118.446 119.070 -0.015 0.000 2.591 645 H HA 0.208 4.764 4.556 -0.000 0.000 0.302 645 H C 0.482 175.802 175.328 -0.013 0.000 1.163 645 H CA -0.119 55.920 56.048 -0.014 0.000 1.049 645 H CB -0.051 29.706 29.762 -0.009 0.000 1.543 645 H HN 0.238 nan 8.280 nan 0.000 0.523 646 S N 0.442 116.167 115.700 0.041 0.000 2.646 646 S HA 0.177 4.646 4.470 -0.000 0.000 0.276 646 S C 1.335 175.942 174.600 0.011 0.000 1.222 646 S CA -1.043 57.173 58.200 0.026 0.000 1.014 646 S CB 1.799 65.003 63.200 0.007 0.000 0.991 646 S HN 0.603 nan 8.310 nan 0.000 0.533 647 R N 0.474 120.981 120.500 0.011 0.000 2.339 647 R HA 0.144 4.484 4.340 -0.000 0.000 0.199 647 R C 0.169 176.466 176.300 -0.006 0.000 1.018 647 R CA 0.193 56.295 56.100 0.004 0.000 1.036 647 R CB -0.455 29.850 30.300 0.008 0.000 0.899 647 R HN 0.464 nan 8.270 nan 0.000 0.473 648 N N 1.009 119.703 118.700 -0.011 0.000 2.399 648 N HA 0.049 4.789 4.740 -0.000 0.000 0.295 648 N C 0.264 175.751 175.510 -0.040 0.000 1.048 648 N CA -0.472 52.567 53.050 -0.018 0.000 0.886 648 N CB 1.582 40.064 38.487 -0.008 0.000 1.185 648 N HN -0.013 nan 8.380 nan 0.000 0.487 649 E N 1.900 122.069 120.200 -0.051 0.000 2.072 649 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 649 E C 1.404 177.924 176.600 -0.134 0.000 0.985 649 E CA 1.153 57.502 56.400 -0.084 0.000 0.801 649 E CB -0.217 29.436 29.700 -0.078 0.000 0.750 649 E HN 0.817 nan 8.360 nan 0.000 0.452 650 G N 1.228 109.955 108.800 -0.122 0.000 2.404 650 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 650 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 650 G C 1.846 176.660 174.900 -0.142 0.000 1.174 650 G CA 0.912 45.891 45.100 -0.202 0.000 0.780 650 G HN 0.169 nan 8.290 nan 0.000 0.537 651 V N 1.625 121.529 119.914 -0.017 0.000 2.407 651 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 651 V C 3.265 179.346 176.094 -0.021 0.000 1.055 651 V CA 1.969 64.282 62.300 0.023 0.000 1.049 651 V CB -0.933 30.893 31.823 0.005 0.000 0.662 651 V HN 0.457 nan 8.190 nan 0.000 0.455 652 A N -0.099 122.678 122.820 -0.072 0.000 1.929 652 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 652 A C 2.399 179.911 177.584 -0.120 0.000 1.176 652 A CA 2.233 54.211 52.037 -0.097 0.000 0.628 652 A CB -0.821 18.114 19.000 -0.110 0.000 0.816 652 A HN 0.495 nan 8.150 nan 0.000 0.444 653 T N -1.094 113.350 114.554 -0.182 0.000 2.770 653 T HA -0.097 4.252 4.350 -0.000 0.000 0.263 653 T C 1.753 176.357 174.700 -0.161 0.000 1.039 653 T CA 1.659 63.618 62.100 -0.234 0.000 1.142 653 T CB -0.421 68.219 68.868 -0.380 0.000 0.868 653 T HN 0.508 nan 8.240 nan 0.000 0.435 654 Y N 1.527 121.784 120.300 -0.073 0.000 2.200 654 Y HA 0.164 4.714 4.550 -0.001 0.000 0.290 654 Y C 2.720 178.576 175.900 -0.074 0.000 1.137 654 Y CA 0.035 58.087 58.100 -0.080 0.000 1.163 654 Y CB -1.111 37.276 38.460 -0.122 0.000 0.988 654 Y HN 0.192 nan 8.280 nan 0.000 0.518 655 A N -0.096 122.772 122.820 0.081 0.000 1.972 655 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 655 A C 2.427 180.021 177.584 0.015 0.000 1.169 655 A CA 1.672 53.721 52.037 0.020 0.000 0.635 655 A CB -1.033 17.959 19.000 -0.013 0.000 0.810 655 A HN 0.374 nan 8.150 nan 0.000 0.446 656 A N -0.395 122.425 122.820 0.000 0.000 1.968 656 A HA 0.314 4.634 4.320 -0.000 0.000 0.217 656 A C 2.405 180.020 177.584 0.052 0.000 1.169 656 A CA 1.570 53.606 52.037 -0.002 0.000 0.638 656 A CB -0.733 18.231 19.000 -0.061 0.000 0.812 656 A HN 0.923 nan 8.150 nan 0.000 0.446 657 A N -0.376 122.481 122.820 0.061 0.000 1.929 657 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 657 A C 2.130 179.796 177.584 0.136 0.000 1.176 657 A CA 1.632 53.735 52.037 0.110 0.000 0.628 657 A CB -0.692 18.379 19.000 0.119 0.000 0.816 657 A HN 0.384 nan 8.150 nan 0.000 0.444 658 V N -0.165 119.801 119.914 0.087 0.000 2.453 658 V HA -0.175 3.944 4.120 -0.000 0.000 0.247 658 V C 2.435 178.565 176.094 0.060 0.000 1.048 658 V CA 1.558 63.890 62.300 0.054 0.000 1.049 658 V CB -0.793 31.037 31.823 0.011 0.000 0.672 658 V HN 0.528 nan 8.190 nan 0.000 0.457 659 L N -1.298 119.969 121.223 0.074 0.000 2.201 659 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 659 L C 2.263 179.195 176.870 0.103 0.000 1.105 659 L CA 1.553 56.436 54.840 0.070 0.000 0.775 659 L CB -0.351 41.747 42.059 0.065 0.000 0.913 659 L HN 0.342 nan 8.230 nan 0.000 0.440 660 F N 0.040 119.987 119.950 -0.006 0.000 2.293 660 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 660 F C 2.533 178.332 175.800 -0.003 0.000 1.089 660 F CA 0.875 58.872 58.000 -0.005 0.000 1.377 660 F CB 0.143 39.139 39.000 -0.006 0.000 1.051 660 F HN -0.174 nan 8.300 nan 0.000 0.511 661 R N -0.410 120.118 120.500 0.047 0.000 2.153 661 R HA 0.022 4.362 4.340 -0.000 0.000 0.218 661 R C 2.088 178.346 176.300 -0.070 0.000 1.072 661 R CA 1.158 57.243 56.100 -0.025 0.000 0.990 661 R CB -0.149 30.178 30.300 0.045 0.000 0.889 661 R HN 0.303 nan 8.270 nan 0.000 0.452 662 M N -0.588 118.982 119.600 -0.049 0.000 2.349 662 M HA -0.062 4.418 4.480 -0.000 0.000 0.266 662 M C 1.927 178.182 176.300 -0.074 0.000 1.076 662 M CA 1.467 56.739 55.300 -0.046 0.000 1.126 662 M CB 0.135 32.724 32.600 -0.019 0.000 1.392 662 M HN 0.191 nan 8.290 nan 0.000 0.440 663 S N -0.307 115.324 115.700 -0.115 0.000 2.398 663 S HA 0.117 4.587 4.470 -0.000 0.000 0.220 663 S C 1.170 175.657 174.600 -0.188 0.000 1.046 663 S CA 0.521 58.643 58.200 -0.131 0.000 0.953 663 S CB -0.616 62.514 63.200 -0.116 0.000 0.856 663 S HN 0.405 nan 8.310 nan 0.000 0.506 664 E N 0.000 120.001 120.200 -0.332 0.000 2.725 664 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 664 E CA 0.000 56.184 56.400 -0.361 0.000 0.976 664 E CB 0.000 29.284 29.700 -0.694 0.000 0.812 664 E HN 0.000 nan 8.360 nan 0.000 0.440