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 1t08_1_A 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 DTQRXXXXXX 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 0.000 177.585 177.584 0.002 0.000 1.274 146 A CA 0.000 52.037 52.037 0.000 0.000 0.836 146 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 147 E N -0.128 120.072 120.200 0.001 0.000 2.418 147 E HA -0.023 4.327 4.350 -0.000 0.000 0.197 147 E C 1.438 178.040 176.600 0.003 0.000 1.026 147 E CA 0.819 57.220 56.400 0.002 0.000 0.862 147 E CB -0.234 29.466 29.700 0.001 0.000 0.799 147 E HN 0.560 nan 8.360 nan 0.000 0.518 148 L N 0.335 121.560 121.223 0.003 0.000 1.989 148 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 148 L C 2.721 179.596 176.870 0.009 0.000 1.071 148 L CA 1.627 56.470 54.840 0.006 0.000 0.749 148 L CB -0.637 41.425 42.059 0.005 0.000 0.890 148 L HN 0.107 nan 8.230 nan 0.000 0.431 149 A N 0.079 122.905 122.820 0.009 0.000 1.873 149 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 149 A C 2.430 180.019 177.584 0.008 0.000 1.186 149 A CA 2.270 54.313 52.037 0.010 0.000 0.616 149 A CB -1.047 17.959 19.000 0.010 0.000 0.823 149 A HN 0.533 nan 8.150 nan 0.000 0.442 150 T N -3.377 111.181 114.554 0.006 0.000 2.904 150 T HA 0.010 4.360 4.350 -0.000 0.000 0.267 150 T C 1.849 176.552 174.700 0.005 0.000 1.059 150 T CA 1.122 63.225 62.100 0.005 0.000 1.137 150 T CB -0.035 68.835 68.868 0.004 0.000 0.879 150 T HN 0.393 nan 8.240 nan 0.000 0.467 151 R N 0.566 121.069 120.500 0.006 0.000 2.411 151 R HA 0.554 4.893 4.340 -0.000 0.000 0.176 151 R C 2.913 179.217 176.300 0.007 0.000 1.072 151 R CA 0.834 56.937 56.100 0.006 0.000 1.132 151 R CB -1.182 29.121 30.300 0.004 0.000 1.203 151 R HN 0.395 nan 8.270 nan 0.000 0.537 152 A N 3.009 125.834 122.820 0.007 0.000 1.848 152 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 152 A C 2.145 179.736 177.584 0.011 0.000 1.220 152 A CA 1.882 53.925 52.037 0.009 0.000 0.645 152 A CB -0.807 18.198 19.000 0.008 0.000 0.842 152 A HN 0.140 nan 8.150 nan 0.000 0.451 153 I N 0.995 121.573 120.570 0.013 0.000 2.087 153 I HA -0.203 3.967 4.170 -0.000 0.000 0.240 153 I C -0.148 175.977 176.117 0.013 0.000 1.054 153 I CA 2.053 63.362 61.300 0.015 0.000 1.311 153 I CB -2.764 35.246 38.000 0.017 0.000 1.024 153 I HN 0.299 nan 8.210 nan 0.000 0.402 154 P HA -0.177 nan 4.420 nan 0.000 0.216 154 P C 1.542 178.848 177.300 0.009 0.000 1.150 154 P CA 1.547 64.652 63.100 0.009 0.000 0.837 154 P CB -0.023 31.681 31.700 0.008 0.000 0.786 155 E N 0.031 120.236 120.200 0.009 0.000 2.047 155 E HA -0.085 4.264 4.350 -0.000 0.000 0.191 155 E C 2.352 178.958 176.600 0.010 0.000 0.987 155 E CA 0.851 57.257 56.400 0.009 0.000 0.799 155 E CB -0.896 28.808 29.700 0.008 0.000 0.752 155 E HN 0.289 nan 8.360 nan 0.000 0.449 156 L N 0.371 121.601 121.223 0.012 0.000 2.046 156 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 156 L C 2.744 179.622 176.870 0.014 0.000 1.077 156 L CA 1.733 56.582 54.840 0.015 0.000 0.747 156 L CB -0.748 41.322 42.059 0.018 0.000 0.896 156 L HN 0.193 nan 8.230 nan 0.000 0.432 157 T N -1.018 113.544 114.554 0.013 0.000 2.881 157 T HA -0.196 4.154 4.350 -0.000 0.000 0.270 157 T C 2.024 176.730 174.700 0.010 0.000 1.068 157 T CA 1.220 63.327 62.100 0.012 0.000 1.131 157 T CB -0.042 68.833 68.868 0.012 0.000 0.871 157 T HN 0.052 nan 8.240 nan 0.000 0.479 158 K N 0.647 121.052 120.400 0.009 0.000 2.116 158 K HA 0.166 4.486 4.320 -0.000 0.000 0.203 158 K C 2.309 178.914 176.600 0.008 0.000 1.052 158 K CA 0.803 57.095 56.287 0.008 0.000 0.952 158 K CB -0.619 31.885 32.500 0.007 0.000 0.729 158 K HN 0.441 nan 8.250 nan 0.000 0.446 159 L N 0.745 121.973 121.223 0.009 0.000 2.131 159 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 159 L C 2.253 179.129 176.870 0.010 0.000 1.092 159 L CA 0.757 55.603 54.840 0.010 0.000 0.759 159 L CB -0.309 41.757 42.059 0.011 0.000 0.903 159 L HN 0.079 nan 8.230 nan 0.000 0.435 160 L N -0.055 121.175 121.223 0.011 0.000 2.549 160 L HA -0.113 4.227 4.340 -0.000 0.000 0.229 160 L C 1.429 178.304 176.870 0.008 0.000 1.158 160 L CA 0.530 55.376 54.840 0.011 0.000 0.842 160 L CB -0.327 41.739 42.059 0.011 0.000 0.952 160 L HN 0.411 nan 8.230 nan 0.000 0.452 161 N N -1.461 117.243 118.700 0.007 0.000 2.205 161 N HA -0.002 4.737 4.740 -0.000 0.000 0.201 161 N C 0.281 175.795 175.510 0.006 0.000 1.128 161 N CA 0.043 53.097 53.050 0.006 0.000 0.867 161 N CB 0.402 38.892 38.487 0.005 0.000 0.996 161 N HN 0.234 nan 8.380 nan 0.000 0.503 162 D N 1.357 121.761 120.400 0.006 0.000 2.423 162 D HA -0.053 4.587 4.640 -0.000 0.000 0.238 162 D C 0.773 177.077 176.300 0.006 0.000 1.142 162 D CA 0.305 54.308 54.000 0.006 0.000 0.884 162 D CB 1.543 42.347 40.800 0.007 0.000 1.199 162 D HN -0.067 nan 8.370 nan 0.000 0.438 163 E N 1.222 121.425 120.200 0.005 0.000 2.051 163 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 163 E C 0.125 176.729 176.600 0.005 0.000 0.991 163 E CA 0.897 57.300 56.400 0.005 0.000 0.799 163 E CB -0.126 29.576 29.700 0.004 0.000 0.748 163 E HN 0.480 nan 8.360 nan 0.000 0.449 164 D N 0.422 120.826 120.400 0.006 0.000 2.429 164 D HA -0.058 4.581 4.640 -0.000 0.000 0.253 164 D C 0.760 177.064 176.300 0.007 0.000 1.294 164 D CA 0.158 54.161 54.000 0.006 0.000 1.063 164 D CB 0.150 40.954 40.800 0.006 0.000 1.096 164 D HN 0.049 nan 8.370 nan 0.000 0.516 165 Q N 2.293 122.097 119.800 0.007 0.000 2.389 165 Q HA -0.190 4.150 4.340 -0.000 0.000 0.213 165 Q C 1.423 177.429 176.000 0.010 0.000 0.989 165 Q CA 0.958 56.766 55.803 0.008 0.000 0.891 165 Q CB 0.247 28.990 28.738 0.008 0.000 0.923 165 Q HN 0.503 nan 8.270 nan 0.000 0.455 166 V N -0.450 119.469 119.914 0.009 0.000 2.407 166 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 166 V C 2.041 178.142 176.094 0.011 0.000 1.055 166 V CA 1.623 63.929 62.300 0.010 0.000 1.049 166 V CB -0.418 31.410 31.823 0.008 0.000 0.662 166 V HN 0.365 nan 8.190 nan 0.000 0.455 167 V N -0.592 119.328 119.914 0.010 0.000 3.217 167 V HA -0.079 4.041 4.120 -0.000 0.000 0.264 167 V C 2.058 178.159 176.094 0.012 0.000 1.135 167 V CA 1.301 63.607 62.300 0.011 0.000 1.142 167 V CB 0.474 32.302 31.823 0.009 0.000 0.754 167 V HN 0.373 nan 8.190 nan 0.000 0.484 168 V N 0.829 120.751 119.914 0.012 0.000 2.273 168 V HA -0.127 3.993 4.120 -0.000 0.000 0.242 168 V C 2.331 178.435 176.094 0.017 0.000 1.035 168 V CA 2.069 64.377 62.300 0.013 0.000 1.013 168 V CB -0.906 30.924 31.823 0.011 0.000 0.652 168 V HN 0.577 nan 8.190 nan 0.000 0.452 169 N N 0.730 119.440 118.700 0.017 0.000 2.184 169 N HA -0.256 4.484 4.740 -0.000 0.000 0.190 169 N C 1.773 177.298 175.510 0.026 0.000 1.011 169 N CA 1.727 54.790 53.050 0.021 0.000 0.867 169 N CB -0.332 38.167 38.487 0.020 0.000 0.993 169 N HN 0.548 nan 8.380 nan 0.000 0.433 170 K N 0.935 121.349 120.400 0.022 0.000 2.031 170 K HA 0.040 4.360 4.320 -0.000 0.000 0.205 170 K C 2.032 178.648 176.600 0.026 0.000 1.049 170 K CA 1.057 57.358 56.287 0.023 0.000 0.939 170 K CB -0.038 32.472 32.500 0.017 0.000 0.717 170 K HN 0.081 nan 8.250 nan 0.000 0.438 171 A N 1.238 124.072 122.820 0.023 0.000 1.898 171 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 171 A C 2.335 179.939 177.584 0.033 0.000 1.181 171 A CA 1.752 53.804 52.037 0.025 0.000 0.620 171 A CB -0.790 18.221 19.000 0.019 0.000 0.819 171 A HN 0.484 nan 8.150 nan 0.000 0.442 172 A N -0.326 122.513 122.820 0.032 0.000 1.873 172 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 172 A C 2.247 179.872 177.584 0.068 0.000 1.193 172 A CA 2.071 54.130 52.037 0.036 0.000 0.629 172 A CB -1.195 17.820 19.000 0.024 0.000 0.826 172 A HN 0.443 nan 8.150 nan 0.000 0.447 173 V N -0.305 119.651 119.914 0.071 0.000 2.252 173 V HA -0.352 3.768 4.120 -0.000 0.000 0.249 173 V C 2.667 178.814 176.094 0.089 0.000 1.056 173 V CA 2.277 64.636 62.300 0.098 0.000 1.022 173 V CB -0.687 31.174 31.823 0.064 0.000 0.641 173 V HN 0.559 nan 8.190 nan 0.000 0.445 174 M N -0.390 119.244 119.600 0.055 0.000 2.080 174 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 174 M C 2.218 178.549 176.300 0.052 0.000 1.068 174 M CA 1.880 57.204 55.300 0.040 0.000 1.109 174 M CB -0.905 31.712 32.600 0.028 0.000 1.342 174 M HN 0.299 nan 8.290 nan 0.000 0.405 175 V N -0.973 118.979 119.914 0.063 0.000 2.332 175 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 175 V C 2.401 178.564 176.094 0.115 0.000 1.055 175 V CA 2.155 64.496 62.300 0.069 0.000 1.038 175 V CB -1.200 30.656 31.823 0.054 0.000 0.651 175 V HN 0.572 nan 8.190 nan 0.000 0.450 176 H N -0.529 118.542 119.070 0.002 0.000 2.352 176 H HA -0.273 4.283 4.556 -0.000 0.000 0.299 176 H C 2.484 177.814 175.328 0.004 0.000 1.097 176 H CA 1.892 57.937 56.048 -0.005 0.000 1.311 176 H CB 0.331 30.088 29.762 -0.010 0.000 1.377 176 H HN 0.398 nan 8.280 nan 0.000 0.504 177 Q N 0.953 120.752 119.800 -0.002 0.000 2.050 177 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 177 Q C 2.501 178.486 176.000 -0.025 0.000 0.980 177 Q CA 1.446 57.201 55.803 -0.080 0.000 0.840 177 Q CB -0.344 28.364 28.738 -0.050 0.000 0.898 177 Q HN 0.567 nan 8.270 nan 0.000 0.424 178 L N 0.314 121.545 121.223 0.013 0.000 2.131 178 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 178 L C 2.404 179.294 176.870 0.033 0.000 1.092 178 L CA 1.343 56.194 54.840 0.018 0.000 0.759 178 L CB -0.692 41.382 42.059 0.024 0.000 0.903 178 L HN 0.339 nan 8.230 nan 0.000 0.435 179 S N -0.434 115.305 115.700 0.065 0.000 2.447 179 S HA -0.168 4.302 4.470 -0.000 0.000 0.233 179 S C 1.791 176.441 174.600 0.082 0.000 1.006 179 S CA 0.721 58.977 58.200 0.094 0.000 0.957 179 S CB -0.265 63.017 63.200 0.136 0.000 0.773 179 S HN 0.416 nan 8.310 nan 0.000 0.507 180 K N 0.860 121.284 120.400 0.040 0.000 2.365 180 K HA 0.117 4.437 4.320 -0.000 0.000 0.199 180 K C 0.801 177.408 176.600 0.012 0.000 1.045 180 K CA 0.595 56.893 56.287 0.017 0.000 0.962 180 K CB 0.022 32.497 32.500 -0.042 0.000 0.759 180 K HN 0.378 nan 8.250 nan 0.000 0.469 181 K N 1.331 121.734 120.400 0.005 0.000 2.244 181 K HA 0.029 4.349 4.320 -0.000 0.000 0.260 181 K C 0.523 177.102 176.600 -0.035 0.000 0.951 181 K CA -0.245 56.033 56.287 -0.015 0.000 0.826 181 K CB 1.607 34.092 32.500 -0.025 0.000 1.108 181 K HN -0.066 nan 8.250 nan 0.000 0.433 182 E N 3.487 123.646 120.200 -0.067 0.000 2.035 182 E HA -0.324 4.026 4.350 -0.000 0.000 0.204 182 E C 1.474 177.854 176.600 -0.365 0.000 1.025 182 E CA 2.251 58.531 56.400 -0.199 0.000 0.835 182 E CB -0.110 29.466 29.700 -0.208 0.000 0.764 182 E HN 0.780 nan 8.360 nan 0.000 0.457 183 A N 0.708 123.376 122.820 -0.254 0.000 1.881 183 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 183 A C 2.418 179.932 177.584 -0.117 0.000 1.215 183 A CA 3.289 55.207 52.037 -0.199 0.000 0.648 183 A CB -1.217 17.721 19.000 -0.102 0.000 0.832 183 A HN 0.536 nan 8.150 nan 0.000 0.455 184 S N -0.845 114.817 115.700 -0.063 0.000 2.481 184 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 184 S C 1.893 176.506 174.600 0.021 0.000 0.996 184 S CA 1.027 59.219 58.200 -0.012 0.000 0.942 184 S CB -0.338 62.860 63.200 -0.003 0.000 0.768 184 S HN 0.626 nan 8.310 nan 0.000 0.520 185 R N 0.865 121.377 120.500 0.019 0.000 2.090 185 R HA -0.037 4.302 4.340 -0.000 0.000 0.228 185 R C 2.116 178.515 176.300 0.165 0.000 1.110 185 R CA 1.388 57.550 56.100 0.103 0.000 0.973 185 R CB -0.373 30.020 30.300 0.156 0.000 0.869 185 R HN 0.655 nan 8.270 nan 0.000 0.440 186 H N -0.856 118.181 119.070 -0.056 0.000 2.389 186 H HA -0.019 4.536 4.556 -0.001 0.000 0.299 186 H C 1.999 177.303 175.328 -0.040 0.000 1.081 186 H CA 0.642 56.639 56.048 -0.085 0.000 1.345 186 H CB 0.169 29.865 29.762 -0.109 0.000 1.393 186 H HN 0.363 nan 8.280 nan 0.000 0.520 187 A N 1.178 124.061 122.820 0.106 0.000 1.933 187 A HA -0.117 4.202 4.320 -0.000 0.000 0.218 187 A C 2.372 179.984 177.584 0.046 0.000 1.175 187 A CA 1.033 53.103 52.037 0.056 0.000 0.628 187 A CB -0.532 18.488 19.000 0.035 0.000 0.814 187 A HN 0.275 nan 8.150 nan 0.000 0.444 188 I N 0.101 120.704 120.570 0.055 0.000 2.202 188 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 188 I C 2.792 178.936 176.117 0.045 0.000 1.091 188 I CA 1.868 63.197 61.300 0.049 0.000 1.368 188 I CB -0.402 37.633 38.000 0.059 0.000 1.058 188 I HN 0.547 nan 8.210 nan 0.000 0.410 189 M N -0.130 119.501 119.600 0.052 0.000 2.374 189 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 189 M C 1.781 178.089 176.300 0.013 0.000 1.067 189 M CA 1.636 56.957 55.300 0.035 0.000 1.103 189 M CB -0.550 32.068 32.600 0.029 0.000 1.402 189 M HN 0.002 nan 8.290 nan 0.000 0.444 190 R N 0.627 121.134 120.500 0.011 0.000 2.334 190 R HA 0.204 4.544 4.340 -0.000 0.000 0.220 190 R C 0.232 176.538 176.300 0.010 0.000 0.917 190 R CA -0.000 56.101 56.100 0.002 0.000 1.073 190 R CB 0.357 30.656 30.300 -0.002 0.000 1.056 190 R HN 0.308 nan 8.270 nan 0.000 0.506 191 S N 0.780 116.489 115.700 0.016 0.000 2.577 191 S HA 0.288 4.757 4.470 -0.000 0.000 0.294 191 S C -2.060 172.549 174.600 0.015 0.000 1.161 191 S CA -2.024 56.185 58.200 0.015 0.000 1.143 191 S CB 1.024 64.234 63.200 0.017 0.000 0.991 191 S HN -0.106 nan 8.310 nan 0.000 0.475 192 P HA -0.140 nan 4.420 nan 0.000 0.216 192 P C 1.135 178.441 177.300 0.010 0.000 1.150 192 P CA 1.150 64.257 63.100 0.012 0.000 0.843 192 P CB 0.206 31.911 31.700 0.009 0.000 0.787 193 Q N -1.748 118.057 119.800 0.009 0.000 2.079 193 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 193 Q C 2.152 178.158 176.000 0.010 0.000 0.974 193 Q CA 1.437 57.245 55.803 0.007 0.000 0.840 193 Q CB -1.039 27.703 28.738 0.007 0.000 0.898 193 Q HN 0.209 nan 8.270 nan 0.000 0.430 194 M N -0.204 119.404 119.600 0.013 0.000 2.059 194 M HA -0.127 4.352 4.480 -0.000 0.000 0.259 194 M C 1.795 178.105 176.300 0.017 0.000 1.072 194 M CA 1.501 56.810 55.300 0.016 0.000 1.117 194 M CB -0.496 32.117 32.600 0.021 0.000 1.320 194 M HN 0.047 nan 8.290 nan 0.000 0.408 195 V N -0.080 119.846 119.914 0.019 0.000 2.324 195 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 195 V C 2.377 178.480 176.094 0.014 0.000 1.060 195 V CA 2.171 64.484 62.300 0.021 0.000 1.042 195 V CB -1.363 30.475 31.823 0.026 0.000 0.650 195 V HN 0.586 nan 8.190 nan 0.000 0.450 196 S N 0.088 115.794 115.700 0.010 0.000 2.368 196 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 196 S C 2.230 176.833 174.600 0.004 0.000 1.029 196 S CA 1.347 59.549 58.200 0.004 0.000 0.988 196 S CB -0.490 62.710 63.200 0.000 0.000 0.838 196 S HN 0.668 nan 8.310 nan 0.000 0.462 197 A N 1.323 124.147 122.820 0.006 0.000 1.933 197 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 197 A C 2.040 179.628 177.584 0.006 0.000 1.175 197 A CA 1.084 53.125 52.037 0.006 0.000 0.628 197 A CB -0.663 18.341 19.000 0.008 0.000 0.814 197 A HN 0.492 nan 8.150 nan 0.000 0.444 198 I N -0.688 119.887 120.570 0.008 0.000 2.202 198 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 198 I C 2.357 178.475 176.117 0.003 0.000 1.091 198 I CA 1.037 62.340 61.300 0.005 0.000 1.368 198 I CB -0.370 37.633 38.000 0.006 0.000 1.058 198 I HN 0.151 nan 8.210 nan 0.000 0.410 199 V N 0.890 120.808 119.914 0.006 0.000 2.261 199 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 199 V C 2.649 178.746 176.094 0.005 0.000 1.047 199 V CA 2.082 64.386 62.300 0.007 0.000 1.015 199 V CB -0.788 31.038 31.823 0.005 0.000 0.642 199 V HN 0.407 nan 8.190 nan 0.000 0.446 200 R N -0.200 120.302 120.500 0.003 0.000 2.094 200 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 200 R C 2.396 178.698 176.300 0.004 0.000 1.137 200 R CA 2.420 58.521 56.100 0.002 0.000 0.943 200 R CB -0.652 29.649 30.300 0.001 0.000 0.850 200 R HN 0.568 nan 8.270 nan 0.000 0.433 201 T N 1.405 115.962 114.554 0.005 0.000 2.684 201 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 201 T C 1.723 176.427 174.700 0.006 0.000 1.036 201 T CA 1.753 63.856 62.100 0.005 0.000 1.148 201 T CB -0.256 68.615 68.868 0.005 0.000 0.863 201 T HN 0.346 nan 8.240 nan 0.000 0.436 202 M N 1.528 121.131 119.600 0.005 0.000 2.082 202 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 202 M C 2.324 178.633 176.300 0.015 0.000 1.069 202 M CA 1.851 57.156 55.300 0.008 0.000 1.102 202 M CB -0.301 32.304 32.600 0.008 0.000 1.336 202 M HN 0.350 nan 8.290 nan 0.000 0.404 203 Q N -1.386 118.422 119.800 0.013 0.000 2.415 203 Q HA 0.013 4.352 4.340 -0.000 0.000 0.206 203 Q C 0.315 176.322 176.000 0.011 0.000 0.946 203 Q CA 0.493 56.304 55.803 0.015 0.000 0.951 203 Q CB -0.015 28.731 28.738 0.013 0.000 1.026 203 Q HN 0.566 nan 8.270 nan 0.000 0.510 204 N N 0.249 118.955 118.700 0.010 0.000 2.297 204 N HA 0.060 4.800 4.740 -0.000 0.000 0.208 204 N C -0.137 175.378 175.510 0.009 0.000 1.176 204 N CA 0.329 53.384 53.050 0.008 0.000 0.882 204 N CB 0.693 39.184 38.487 0.006 0.000 1.134 204 N HN 0.087 nan 8.380 nan 0.000 0.489 205 T N 1.555 116.115 114.554 0.010 0.000 2.788 205 T HA 0.073 4.423 4.350 -0.000 0.000 0.333 205 T C 0.984 175.690 174.700 0.011 0.000 1.090 205 T CA 0.390 62.496 62.100 0.011 0.000 1.094 205 T CB 0.660 69.535 68.868 0.012 0.000 0.999 205 T HN 0.178 nan 8.240 nan 0.000 0.549 206 N N 0.169 118.876 118.700 0.011 0.000 2.116 206 N HA 0.040 4.780 4.740 -0.000 0.000 0.230 206 N C -0.880 174.636 175.510 0.011 0.000 1.326 206 N CA -0.096 52.961 53.050 0.010 0.000 0.867 206 N CB 0.863 39.355 38.487 0.008 0.000 1.174 206 N HN 0.599 nan 8.380 nan 0.000 0.506 207 D N 2.072 122.480 120.400 0.013 0.000 2.427 207 D HA 0.070 4.710 4.640 -0.000 0.000 0.226 207 D C 1.282 177.593 176.300 0.018 0.000 1.076 207 D CA -0.283 53.726 54.000 0.015 0.000 0.849 207 D CB 2.160 42.969 40.800 0.015 0.000 1.052 207 D HN -0.236 nan 8.370 nan 0.000 0.515 208 V N 4.669 124.594 119.914 0.018 0.000 2.250 208 V HA -0.309 3.811 4.120 -0.000 0.000 0.253 208 V C 2.116 178.230 176.094 0.032 0.000 1.065 208 V CA 2.697 65.011 62.300 0.023 0.000 1.039 208 V CB -0.236 31.597 31.823 0.017 0.000 0.647 208 V HN 0.602 nan 8.190 nan 0.000 0.446 209 E N -0.200 120.020 120.200 0.033 0.000 2.171 209 E HA -0.188 4.162 4.350 -0.000 0.000 0.197 209 E C 2.091 178.718 176.600 0.044 0.000 0.997 209 E CA 2.336 58.764 56.400 0.046 0.000 0.810 209 E CB -0.586 29.139 29.700 0.042 0.000 0.738 209 E HN 0.763 nan 8.360 nan 0.000 0.467 210 T N -0.308 114.264 114.554 0.030 0.000 2.809 210 T HA 0.045 4.395 4.350 -0.000 0.000 0.260 210 T C 1.836 176.541 174.700 0.008 0.000 1.039 210 T CA 1.155 63.267 62.100 0.020 0.000 1.141 210 T CB -0.474 68.404 68.868 0.017 0.000 0.869 210 T HN 0.323 nan 8.240 nan 0.000 0.437 211 A N 1.934 124.765 122.820 0.018 0.000 1.917 211 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 211 A C 2.304 179.906 177.584 0.030 0.000 1.182 211 A CA 1.881 53.932 52.037 0.023 0.000 0.633 211 A CB -0.607 18.413 19.000 0.032 0.000 0.819 211 A HN 0.388 nan 8.150 nan 0.000 0.448 212 R N -0.896 119.634 120.500 0.051 0.000 2.075 212 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 212 R C 2.195 178.457 176.300 -0.063 0.000 1.126 212 R CA 1.793 57.955 56.100 0.104 0.000 0.963 212 R CB -0.573 29.813 30.300 0.143 0.000 0.858 212 R HN 0.587 nan 8.270 nan 0.000 0.435 213 C N 0.007 119.235 119.300 -0.121 0.000 2.446 213 C HA -0.068 4.391 4.460 -0.000 0.000 0.277 213 C C 2.896 177.629 174.990 -0.429 0.000 1.275 213 C CA 1.455 60.249 59.018 -0.373 0.000 1.727 213 C CB -0.872 26.849 27.740 -0.031 0.000 2.010 213 C HN 0.714 nan 8.230 nan 0.000 0.486 214 T N 0.165 114.607 114.554 -0.186 0.000 2.777 214 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 214 T C 1.955 176.562 174.700 -0.157 0.000 1.040 214 T CA 1.558 63.580 62.100 -0.130 0.000 1.141 214 T CB -0.495 68.344 68.868 -0.049 0.000 0.868 214 T HN 0.484 nan 8.240 nan 0.000 0.444 215 A N 1.895 124.631 122.820 -0.140 0.000 1.898 215 A HA 0.270 4.590 4.320 -0.000 0.000 0.216 215 A C 2.742 180.124 177.584 -0.336 0.000 1.181 215 A CA 1.599 53.580 52.037 -0.092 0.000 0.620 215 A CB -1.601 17.448 19.000 0.081 0.000 0.819 215 A HN 0.611 nan 8.150 nan 0.000 0.442 216 G N -1.090 107.214 108.800 -0.827 0.000 2.432 216 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.219 216 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.219 216 G C 1.539 176.131 174.900 -0.515 0.000 1.135 216 G CA 1.645 45.900 45.100 -1.408 0.000 0.767 216 G HN 0.435 nan 8.290 nan 0.000 0.550 217 T N 1.532 115.859 114.554 -0.378 0.000 2.674 217 T HA -0.054 4.296 4.350 -0.000 0.000 0.265 217 T C 2.415 177.102 174.700 -0.023 0.000 1.039 217 T CA 0.978 63.024 62.100 -0.089 0.000 1.150 217 T CB -0.255 68.579 68.868 -0.057 0.000 0.864 217 T HN 0.164 nan 8.240 nan 0.000 0.427 218 L N 0.472 121.672 121.223 -0.037 0.000 2.079 218 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 218 L C 2.701 179.599 176.870 0.046 0.000 1.081 218 L CA 1.523 56.375 54.840 0.020 0.000 0.752 218 L CB -0.809 41.267 42.059 0.028 0.000 0.896 218 L HN 0.475 nan 8.230 nan 0.000 0.433 219 H N 0.975 120.017 119.070 -0.047 0.000 2.319 219 H HA -0.169 4.387 4.556 0.000 0.000 0.299 219 H C 1.859 177.219 175.328 0.052 0.000 1.092 219 H CA 1.978 58.040 56.048 0.024 0.000 1.302 219 H CB 0.107 29.884 29.762 0.025 0.000 1.373 219 H HN 0.343 nan 8.280 nan 0.000 0.497 220 N N 0.897 119.596 118.700 -0.001 0.000 2.223 220 N HA -0.098 4.641 4.740 -0.000 0.000 0.185 220 N C 2.372 177.896 175.510 0.023 0.000 1.016 220 N CA 0.783 53.829 53.050 -0.008 0.000 0.863 220 N CB -0.288 38.270 38.487 0.118 0.000 0.983 220 N HN 0.420 nan 8.380 nan 0.000 0.429 221 L N 0.818 122.079 121.223 0.063 0.000 2.156 221 L HA -0.065 4.274 4.340 -0.000 0.000 0.208 221 L C 2.210 179.125 176.870 0.075 0.000 1.095 221 L CA 0.971 55.888 54.840 0.128 0.000 0.770 221 L CB -0.610 41.509 42.059 0.100 0.000 0.914 221 L HN 0.189 nan 8.230 nan 0.000 0.439 222 S N -1.547 114.152 115.700 -0.002 0.000 2.500 222 S HA -0.252 4.218 4.470 -0.000 0.000 0.239 222 S C 1.767 176.322 174.600 -0.074 0.000 0.989 222 S CA 1.090 59.276 58.200 -0.023 0.000 0.951 222 S CB -0.639 62.548 63.200 -0.021 0.000 0.759 222 S HN 0.541 nan 8.310 nan 0.000 0.523 223 H N 1.489 120.405 119.070 -0.256 0.000 2.462 223 H HA 0.096 4.652 4.556 -0.000 0.000 0.292 223 H C 0.494 175.554 175.328 -0.446 0.000 1.049 223 H CA 1.305 57.122 56.048 -0.385 0.000 1.334 223 H CB -0.018 29.437 29.762 -0.511 0.000 1.404 223 H HN 0.528 nan 8.280 nan 0.000 0.544 224 H N -0.500 118.517 119.070 -0.088 0.000 2.479 224 H HA 0.179 4.735 4.556 -0.001 0.000 0.335 224 H C 1.226 176.469 175.328 -0.142 0.000 1.142 224 H CA -0.245 55.714 56.048 -0.147 0.000 1.234 224 H CB 1.641 31.354 29.762 -0.081 0.000 1.503 224 H HN 0.221 nan 8.280 nan 0.000 0.510 225 R N 1.796 122.275 120.500 -0.035 0.000 2.083 225 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 225 R C 1.274 177.556 176.300 -0.030 0.000 1.137 225 R CA 1.938 58.000 56.100 -0.063 0.000 0.951 225 R CB 0.001 30.253 30.300 -0.079 0.000 0.851 225 R HN 0.691 nan 8.270 nan 0.000 0.434 226 E N -0.790 119.391 120.200 -0.033 0.000 2.153 226 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 226 E C 1.899 178.503 176.600 0.007 0.000 0.988 226 E CA 1.051 57.431 56.400 -0.033 0.000 0.811 226 E CB -0.161 29.487 29.700 -0.086 0.000 0.746 226 E HN 0.673 nan 8.360 nan 0.000 0.466 227 G N 1.259 110.083 108.800 0.041 0.000 2.402 227 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 227 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 227 G C 1.590 176.524 174.900 0.058 0.000 1.162 227 G CA 0.257 45.398 45.100 0.068 0.000 0.777 227 G HN 0.073 nan 8.290 nan 0.000 0.539 228 L N -0.370 120.875 121.223 0.037 0.000 2.042 228 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 228 L C 2.708 179.621 176.870 0.072 0.000 1.076 228 L CA 0.602 55.465 54.840 0.037 0.000 0.749 228 L CB -0.396 41.660 42.059 -0.006 0.000 0.893 228 L HN 0.212 nan 8.230 nan 0.000 0.432 229 L N -0.107 121.148 121.223 0.053 0.000 2.056 229 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 229 L C 2.621 179.581 176.870 0.150 0.000 1.078 229 L CA 1.957 56.856 54.840 0.098 0.000 0.749 229 L CB -0.667 41.420 42.059 0.047 0.000 0.901 229 L HN 0.151 nan 8.230 nan 0.000 0.433 230 A N -0.378 122.497 122.820 0.092 0.000 1.902 230 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 230 A C 2.256 179.890 177.584 0.083 0.000 1.181 230 A CA 2.018 54.100 52.037 0.075 0.000 0.623 230 A CB -0.831 18.198 19.000 0.049 0.000 0.818 230 A HN 0.492 nan 8.150 nan 0.000 0.443 231 I N -1.975 118.654 120.570 0.099 0.000 2.179 231 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 231 I C 2.353 178.542 176.117 0.120 0.000 1.088 231 I CA 1.586 62.943 61.300 0.094 0.000 1.357 231 I CB -0.409 37.651 38.000 0.099 0.000 1.051 231 I HN 0.414 nan 8.210 nan 0.000 0.409 232 F N 2.221 122.177 119.950 0.011 0.000 2.069 232 F HA -0.258 4.269 4.527 0.000 0.000 0.298 232 F C 2.412 178.216 175.800 0.007 0.000 1.113 232 F CA 1.840 59.846 58.000 0.009 0.000 1.214 232 F CB -0.283 38.721 39.000 0.007 0.000 0.978 232 F HN -0.126 nan 8.300 nan 0.000 0.474 233 K N -0.654 119.767 120.400 0.036 0.000 2.217 233 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 233 K C 1.846 178.395 176.600 -0.085 0.000 1.051 233 K CA 1.222 57.470 56.287 -0.066 0.000 0.952 233 K CB -0.280 32.245 32.500 0.041 0.000 0.736 233 K HN 0.108 nan 8.250 nan 0.000 0.453 234 S N 0.180 115.854 115.700 -0.043 0.000 2.650 234 S HA 0.071 4.540 4.470 -0.000 0.000 0.219 234 S C 0.931 175.495 174.600 -0.059 0.000 0.960 234 S CA 0.588 58.766 58.200 -0.036 0.000 0.925 234 S CB 0.258 63.455 63.200 -0.004 0.000 0.775 234 S HN 0.597 nan 8.310 nan 0.000 0.525 235 G N 1.013 109.744 108.800 -0.115 0.000 2.198 235 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 235 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 235 G C 0.781 175.644 174.900 -0.062 0.000 1.042 235 G CA 0.201 45.230 45.100 -0.117 0.000 0.791 235 G HN 0.603 nan 8.290 nan 0.000 0.502 236 G N -0.104 108.675 108.800 -0.035 0.000 2.422 236 G HA2 0.018 3.977 3.960 -0.000 0.000 0.218 236 G HA3 0.018 3.977 3.960 -0.000 0.000 0.218 236 G C 1.779 176.695 174.900 0.027 0.000 1.140 236 G CA 1.189 46.297 45.100 0.012 0.000 0.775 236 G HN 0.610 nan 8.290 nan 0.000 0.545 237 I N 1.384 121.970 120.570 0.026 0.000 2.142 237 I HA -0.122 4.048 4.170 -0.000 0.000 0.240 237 I C -0.094 176.039 176.117 0.026 0.000 1.078 237 I CA 1.155 62.485 61.300 0.049 0.000 1.343 237 I CB -0.843 37.203 38.000 0.077 0.000 1.046 237 I HN 0.135 nan 8.210 nan 0.000 0.405 238 P HA -0.185 nan 4.420 nan 0.000 0.216 238 P C 1.426 178.732 177.300 0.011 0.000 1.150 238 P CA 1.867 64.967 63.100 0.001 0.000 0.837 238 P CB -0.023 31.666 31.700 -0.018 0.000 0.786 239 A N -0.648 122.178 122.820 0.010 0.000 1.855 239 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 239 A C 2.220 179.824 177.584 0.033 0.000 1.191 239 A CA 1.441 53.488 52.037 0.018 0.000 0.613 239 A CB -1.650 17.359 19.000 0.015 0.000 0.829 239 A HN 0.085 nan 8.150 nan 0.000 0.442 240 L N -0.409 120.839 121.223 0.043 0.000 2.012 240 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 240 L C 2.552 179.457 176.870 0.058 0.000 1.073 240 L CA 1.357 56.233 54.840 0.059 0.000 0.748 240 L CB -0.677 41.425 42.059 0.071 0.000 0.891 240 L HN 0.254 nan 8.230 nan 0.000 0.431 241 V N 0.055 119.997 119.914 0.048 0.000 2.332 241 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 241 V C 2.569 178.688 176.094 0.042 0.000 1.055 241 V CA 2.037 64.363 62.300 0.044 0.000 1.038 241 V CB -0.603 31.241 31.823 0.035 0.000 0.651 241 V HN 0.469 nan 8.190 nan 0.000 0.450 242 K N -0.515 119.906 120.400 0.035 0.000 2.147 242 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 242 K C 2.001 178.623 176.600 0.038 0.000 1.049 242 K CA 1.299 57.604 56.287 0.031 0.000 0.936 242 K CB -0.085 32.429 32.500 0.023 0.000 0.722 242 K HN 0.262 nan 8.250 nan 0.000 0.446 243 M N 0.925 120.553 119.600 0.047 0.000 2.549 243 M HA -0.047 4.433 4.480 -0.000 0.000 0.260 243 M C 1.517 177.857 176.300 0.066 0.000 1.076 243 M CA 0.945 56.279 55.300 0.056 0.000 1.090 243 M CB -0.501 32.140 32.600 0.069 0.000 1.418 243 M HN 0.158 nan 8.290 nan 0.000 0.486 244 L N -0.941 120.324 121.223 0.069 0.000 2.610 244 L HA 0.013 4.353 4.340 -0.000 0.000 0.232 244 L C 1.894 178.804 176.870 0.065 0.000 1.149 244 L CA 0.274 55.166 54.840 0.086 0.000 0.872 244 L CB -0.747 41.364 42.059 0.088 0.000 0.992 244 L HN 0.346 nan 8.230 nan 0.000 0.447 245 G N -1.337 107.491 108.800 0.046 0.000 3.126 245 G HA2 -0.042 3.917 3.960 -0.000 0.000 0.224 245 G HA3 -0.042 3.917 3.960 -0.000 0.000 0.224 245 G C 0.605 175.517 174.900 0.021 0.000 1.142 245 G CA -0.080 45.039 45.100 0.032 0.000 0.759 245 G HN 0.199 nan 8.290 nan 0.000 0.550 246 S N 0.739 116.453 115.700 0.024 0.000 2.562 246 S HA 0.276 4.746 4.470 -0.000 0.000 0.281 246 S C -1.147 173.450 174.600 -0.005 0.000 1.333 246 S CA -0.758 57.451 58.200 0.015 0.000 1.052 246 S CB 1.531 64.746 63.200 0.026 0.000 0.884 246 S HN 0.012 nan 8.310 nan 0.000 0.506 247 P HA 0.162 nan 4.420 nan 0.000 0.245 247 P C -0.733 176.545 177.300 -0.037 0.000 1.206 247 P CA 0.120 63.206 63.100 -0.024 0.000 0.781 247 P CB 0.194 31.885 31.700 -0.015 0.000 0.994 248 V N 1.697 121.594 119.914 -0.028 0.000 2.385 248 V HA 0.055 4.175 4.120 -0.000 0.000 0.269 248 V C 1.245 177.302 176.094 -0.060 0.000 1.043 248 V CA -0.018 62.261 62.300 -0.035 0.000 0.906 248 V CB 0.940 32.758 31.823 -0.009 0.000 0.995 248 V HN 0.032 nan 8.190 nan 0.000 0.467 249 D N 3.029 123.370 120.400 -0.099 0.000 2.123 249 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 249 D C 2.227 178.454 176.300 -0.123 0.000 0.992 249 D CA 1.947 55.857 54.000 -0.150 0.000 0.833 249 D CB 0.098 40.793 40.800 -0.176 0.000 0.954 249 D HN 0.734 nan 8.370 nan 0.000 0.455 250 S N 0.365 115.991 115.700 -0.123 0.000 2.399 250 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 250 S C 2.271 176.797 174.600 -0.123 0.000 1.022 250 S CA 0.873 58.959 58.200 -0.190 0.000 0.983 250 S CB -0.638 62.485 63.200 -0.128 0.000 0.803 250 S HN 0.085 nan 8.310 nan 0.000 0.480 251 V N 1.919 121.845 119.914 0.020 0.000 2.379 251 V HA -0.023 4.097 4.120 -0.000 0.000 0.245 251 V C 2.534 178.706 176.094 0.130 0.000 1.044 251 V CA 1.488 63.862 62.300 0.124 0.000 1.036 251 V CB -0.770 31.105 31.823 0.088 0.000 0.664 251 V HN 0.451 nan 8.190 nan 0.000 0.453 252 L N -1.422 119.844 121.223 0.072 0.000 2.083 252 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 252 L C 2.354 179.376 176.870 0.254 0.000 1.083 252 L CA 1.730 56.645 54.840 0.125 0.000 0.752 252 L CB -0.546 41.492 42.059 -0.035 0.000 0.899 252 L HN 0.305 nan 8.230 nan 0.000 0.433 253 F N -0.453 119.517 119.950 0.032 0.000 2.134 253 F HA -0.257 4.270 4.527 -0.000 0.000 0.299 253 F C 2.349 178.181 175.800 0.054 0.000 1.097 253 F CA 1.525 59.565 58.000 0.065 0.000 1.264 253 F CB -0.325 38.580 39.000 -0.159 0.000 1.001 253 F HN -0.054 nan 8.300 nan 0.000 0.479 254 Y N -0.699 119.718 120.300 0.195 0.000 2.145 254 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 254 Y C 2.581 178.546 175.900 0.109 0.000 1.145 254 Y CA 0.646 58.806 58.100 0.099 0.000 1.148 254 Y CB -0.701 37.801 38.460 0.069 0.000 0.981 254 Y HN 0.121 nan 8.280 nan 0.000 0.507 255 A N 0.123 123.102 122.820 0.265 0.000 1.858 255 A HA -0.230 4.089 4.320 -0.000 0.000 0.216 255 A C 2.109 179.767 177.584 0.125 0.000 1.190 255 A CA 1.844 53.987 52.037 0.177 0.000 0.617 255 A CB -0.993 18.096 19.000 0.147 0.000 0.827 255 A HN 0.454 nan 8.150 nan 0.000 0.443 256 I N 0.556 121.177 120.570 0.085 0.000 2.226 256 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 256 I C 2.704 178.794 176.117 -0.044 0.000 1.100 256 I CA 2.469 63.755 61.300 -0.024 0.000 1.374 256 I CB -0.418 37.490 38.000 -0.154 0.000 1.057 256 I HN 0.537 nan 8.210 nan 0.000 0.413 257 T N -3.588 110.935 114.554 -0.051 0.000 2.821 257 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 257 T C 1.876 176.689 174.700 0.189 0.000 1.046 257 T CA 1.817 63.948 62.100 0.052 0.000 1.139 257 T CB -1.145 67.786 68.868 0.106 0.000 0.871 257 T HN 0.294 nan 8.240 nan 0.000 0.454 258 T N 2.276 116.958 114.554 0.214 0.000 2.746 258 T HA 0.140 4.490 4.350 -0.000 0.000 0.267 258 T C 1.888 176.657 174.700 0.115 0.000 1.039 258 T CA 1.123 63.322 62.100 0.165 0.000 1.142 258 T CB -0.475 68.494 68.868 0.168 0.000 0.866 258 T HN 0.284 nan 8.240 nan 0.000 0.444 259 L N 0.009 121.296 121.223 0.107 0.000 2.093 259 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 259 L C 2.610 179.534 176.870 0.090 0.000 1.085 259 L CA 1.393 56.285 54.840 0.086 0.000 0.755 259 L CB -0.618 41.481 42.059 0.067 0.000 0.904 259 L HN 0.460 nan 8.230 nan 0.000 0.435 260 H N 0.307 119.366 119.070 -0.020 0.000 2.352 260 H HA -0.167 4.389 4.556 0.000 0.000 0.299 260 H C 1.926 177.239 175.328 -0.025 0.000 1.097 260 H CA 1.592 57.613 56.048 -0.044 0.000 1.311 260 H CB 0.354 30.078 29.762 -0.063 0.000 1.377 260 H HN 0.354 nan 8.280 nan 0.000 0.504 261 N N 0.715 119.408 118.700 -0.011 0.000 2.166 261 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 261 N C 2.293 177.801 175.510 -0.004 0.000 1.019 261 N CA 0.709 53.750 53.050 -0.015 0.000 0.856 261 N CB -0.296 38.225 38.487 0.056 0.000 0.993 261 N HN 0.375 nan 8.380 nan 0.000 0.426 262 L N 0.562 121.788 121.223 0.004 0.000 2.027 262 L HA -0.069 4.271 4.340 -0.000 0.000 0.206 262 L C 2.231 179.062 176.870 -0.065 0.000 1.074 262 L CA 0.735 55.573 54.840 -0.003 0.000 0.745 262 L CB -0.411 41.679 42.059 0.051 0.000 0.898 262 L HN 0.095 nan 8.230 nan 0.000 0.433 263 L N -0.684 120.497 121.223 -0.070 0.000 2.083 263 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 263 L C 2.437 179.189 176.870 -0.197 0.000 1.083 263 L CA 1.164 55.947 54.840 -0.095 0.000 0.752 263 L CB -0.368 41.665 42.059 -0.043 0.000 0.899 263 L HN 0.285 nan 8.230 nan 0.000 0.433 264 L N -1.499 119.518 121.223 -0.343 0.000 2.109 264 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 264 L C 1.944 178.404 176.870 -0.684 0.000 1.086 264 L CA 1.279 55.764 54.840 -0.591 0.000 0.760 264 L CB -0.254 41.266 42.059 -0.900 0.000 0.910 264 L HN 0.364 nan 8.230 nan 0.000 0.437 265 H N -3.732 115.253 119.070 -0.141 0.000 3.205 265 H HA 0.128 4.684 4.556 -0.000 0.000 0.252 265 H C 0.395 175.636 175.328 -0.145 0.000 1.015 265 H CA -0.370 55.600 56.048 -0.130 0.000 1.192 265 H CB 0.543 30.230 29.762 -0.126 0.000 1.474 265 H HN 0.003 nan 8.280 nan 0.000 0.484 266 Q N 2.506 122.260 119.800 -0.077 0.000 2.337 266 Q HA 0.078 4.418 4.340 -0.000 0.000 0.255 266 Q C -0.444 175.375 176.000 -0.302 0.000 0.997 266 Q CA -0.277 55.402 55.803 -0.207 0.000 0.925 266 Q CB 0.547 29.137 28.738 -0.246 0.000 1.212 266 Q HN 0.331 nan 8.270 nan 0.000 0.436 267 E N 2.776 122.799 120.200 -0.294 0.000 2.465 267 E HA 0.177 4.526 4.350 -0.000 0.000 0.260 267 E C 0.407 176.768 176.600 -0.397 0.000 0.980 267 E CA 1.102 57.349 56.400 -0.255 0.000 0.927 267 E CB 0.032 29.625 29.700 -0.179 0.000 0.934 267 E HN 0.942 nan 8.360 nan 0.000 0.459 268 G N 2.889 111.570 108.800 -0.198 0.000 2.217 268 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.246 268 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.246 268 G C 0.954 175.888 174.900 0.057 0.000 0.990 268 G CA 0.530 45.597 45.100 -0.054 0.000 0.627 268 G HN 0.782 nan 8.290 nan 0.000 0.522 269 A N 0.461 123.232 122.820 -0.082 0.000 1.877 269 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 269 A C 2.178 179.809 177.584 0.078 0.000 1.186 269 A CA 2.317 54.391 52.037 0.061 0.000 0.620 269 A CB -0.475 18.508 19.000 -0.029 0.000 0.822 269 A HN 0.527 nan 8.150 nan 0.000 0.443 270 K N -1.135 119.281 120.400 0.027 0.000 2.032 270 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 270 K C 2.187 178.814 176.600 0.044 0.000 1.048 270 K CA 1.840 58.143 56.287 0.028 0.000 0.927 270 K CB -0.311 32.195 32.500 0.010 0.000 0.712 270 K HN 0.638 nan 8.250 nan 0.000 0.441 271 M N 0.601 120.235 119.600 0.056 0.000 2.086 271 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 271 M C 2.187 178.527 176.300 0.067 0.000 1.067 271 M CA 1.809 57.142 55.300 0.056 0.000 1.116 271 M CB -0.126 32.512 32.600 0.063 0.000 1.348 271 M HN 0.176 nan 8.290 nan 0.000 0.407 272 A N -0.273 122.613 122.820 0.109 0.000 1.908 272 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 272 A C 2.038 179.660 177.584 0.064 0.000 1.181 272 A CA 2.068 54.162 52.037 0.094 0.000 0.627 272 A CB -1.212 17.887 19.000 0.165 0.000 0.818 272 A HN 0.445 nan 8.150 nan 0.000 0.445 273 V N -0.162 119.794 119.914 0.070 0.000 2.358 273 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 273 V C 2.621 178.735 176.094 0.033 0.000 1.047 273 V CA 2.200 64.529 62.300 0.049 0.000 1.035 273 V CB -0.843 31.007 31.823 0.045 0.000 0.658 273 V HN 0.524 nan 8.190 nan 0.000 0.452 274 R N -0.222 120.296 120.500 0.030 0.000 2.073 274 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 274 R C 2.300 178.611 176.300 0.017 0.000 1.134 274 R CA 1.450 57.562 56.100 0.020 0.000 0.952 274 R CB -0.463 29.848 30.300 0.017 0.000 0.850 274 R HN 0.400 nan 8.270 nan 0.000 0.433 275 L N 0.071 121.306 121.223 0.020 0.000 2.131 275 L HA -0.104 4.235 4.340 -0.000 0.000 0.210 275 L C 2.299 179.176 176.870 0.011 0.000 1.092 275 L CA 0.938 55.786 54.840 0.013 0.000 0.759 275 L CB -0.379 41.688 42.059 0.013 0.000 0.903 275 L HN 0.256 nan 8.230 nan 0.000 0.435 276 A N -0.427 122.402 122.820 0.015 0.000 2.238 276 A HA 0.271 4.590 4.320 -0.000 0.000 0.208 276 A C 1.638 179.231 177.584 0.015 0.000 1.177 276 A CA 0.688 52.733 52.037 0.013 0.000 0.804 276 A CB -0.456 18.553 19.000 0.016 0.000 0.823 276 A HN 0.510 nan 8.150 nan 0.000 0.482 277 G N -1.773 107.035 108.800 0.015 0.000 2.182 277 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.248 277 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.248 277 G C 1.079 175.989 174.900 0.017 0.000 1.042 277 G CA 0.495 45.603 45.100 0.014 0.000 0.775 277 G HN 1.195 nan 8.290 nan 0.000 0.501 278 G N -0.128 108.684 108.800 0.019 0.000 2.422 278 G HA2 0.042 4.002 3.960 -0.000 0.000 0.218 278 G HA3 0.042 4.002 3.960 -0.000 0.000 0.218 278 G C 1.812 176.721 174.900 0.014 0.000 1.140 278 G CA 1.175 46.287 45.100 0.020 0.000 0.775 278 G HN 0.613 nan 8.290 nan 0.000 0.545 279 L N -0.285 120.945 121.223 0.010 0.000 2.017 279 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 279 L C 3.163 180.037 176.870 0.007 0.000 1.073 279 L CA 1.309 56.152 54.840 0.005 0.000 0.745 279 L CB -0.368 41.693 42.059 0.003 0.000 0.894 279 L HN 0.194 nan 8.230 nan 0.000 0.432 280 Q N -0.325 119.482 119.800 0.011 0.000 2.119 280 Q HA -0.148 4.191 4.340 -0.000 0.000 0.201 280 Q C 2.225 178.237 176.000 0.021 0.000 0.972 280 Q CA 1.142 56.953 55.803 0.014 0.000 0.847 280 Q CB -0.065 28.681 28.738 0.014 0.000 0.903 280 Q HN 0.228 nan 8.270 nan 0.000 0.433 281 K N 0.101 120.516 120.400 0.024 0.000 2.057 281 K HA -0.029 4.291 4.320 -0.000 0.000 0.206 281 K C 2.037 178.662 176.600 0.042 0.000 1.050 281 K CA 1.269 57.577 56.287 0.035 0.000 0.935 281 K CB -0.253 32.270 32.500 0.038 0.000 0.715 281 K HN 0.335 nan 8.250 nan 0.000 0.439 282 M N 0.503 120.117 119.600 0.024 0.000 2.086 282 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 282 M C 2.281 178.589 176.300 0.013 0.000 1.067 282 M CA 1.240 56.544 55.300 0.008 0.000 1.116 282 M CB -0.366 32.219 32.600 -0.026 0.000 1.348 282 M HN -0.171 nan 8.290 nan 0.000 0.407 283 V N 0.431 120.352 119.914 0.012 0.000 2.407 283 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 283 V C 2.558 178.674 176.094 0.035 0.000 1.055 283 V CA 1.940 64.250 62.300 0.017 0.000 1.049 283 V CB -1.233 30.598 31.823 0.013 0.000 0.662 283 V HN 0.533 nan 8.190 nan 0.000 0.455 284 A N -0.616 122.228 122.820 0.040 0.000 2.067 284 A HA -0.031 4.288 4.320 -0.000 0.000 0.219 284 A C 2.092 179.719 177.584 0.071 0.000 1.158 284 A CA 1.203 53.269 52.037 0.048 0.000 0.661 284 A CB -0.416 18.609 19.000 0.041 0.000 0.801 284 A HN 0.538 nan 8.150 nan 0.000 0.452 285 L N -0.516 120.765 121.223 0.097 0.000 2.554 285 L HA 0.077 4.417 4.340 -0.000 0.000 0.226 285 L C 1.519 178.500 176.870 0.186 0.000 1.137 285 L CA 0.050 54.992 54.840 0.170 0.000 0.863 285 L CB -0.188 42.037 42.059 0.277 0.000 0.985 285 L HN 0.344 nan 8.230 nan 0.000 0.451 286 L N 0.443 121.734 121.223 0.112 0.000 2.633 286 L HA -0.134 4.206 4.340 -0.000 0.000 0.235 286 L C 1.675 178.619 176.870 0.122 0.000 1.163 286 L CA 0.900 55.800 54.840 0.100 0.000 0.859 286 L CB -0.736 41.360 42.059 0.062 0.000 0.973 286 L HN 0.589 nan 8.230 nan 0.000 0.451 287 N N -1.664 117.105 118.700 0.116 0.000 2.336 287 N HA 0.001 4.741 4.740 -0.000 0.000 0.189 287 N C 0.580 176.158 175.510 0.113 0.000 1.113 287 N CA -0.394 52.722 53.050 0.111 0.000 0.858 287 N CB 0.378 38.911 38.487 0.076 0.000 0.970 287 N HN 0.082 nan 8.380 nan 0.000 0.471 288 K N 1.073 121.543 120.400 0.116 0.000 2.149 288 K HA 0.043 4.363 4.320 -0.000 0.000 0.245 288 K C 1.210 177.864 176.600 0.089 0.000 1.024 288 K CA 0.417 56.745 56.287 0.069 0.000 0.899 288 K CB 1.028 33.548 32.500 0.033 0.000 1.038 288 K HN 0.225 nan 8.250 nan 0.000 0.496 289 T N -3.512 111.069 114.554 0.044 0.000 2.975 289 T HA 0.006 4.356 4.350 -0.000 0.000 0.257 289 T C 0.583 175.242 174.700 -0.069 0.000 1.003 289 T CA -0.319 61.812 62.100 0.051 0.000 0.932 289 T CB 0.041 68.993 68.868 0.139 0.000 1.087 289 T HN 0.389 nan 8.240 nan 0.000 0.512 290 N N 2.886 121.561 118.700 -0.042 0.000 2.427 290 N HA 0.025 4.764 4.740 -0.000 0.000 0.269 290 N C 1.637 177.112 175.510 -0.058 0.000 1.235 290 N CA 0.331 53.357 53.050 -0.040 0.000 0.934 290 N CB 1.676 40.169 38.487 0.010 0.000 1.121 290 N HN 0.300 nan 8.380 nan 0.000 0.480 291 V N 2.742 122.540 119.914 -0.194 0.000 2.626 291 V HA -0.117 4.003 4.120 -0.000 0.000 0.252 291 V C 1.960 177.983 176.094 -0.118 0.000 1.067 291 V CA 1.251 63.401 62.300 -0.250 0.000 1.081 291 V CB -0.429 31.197 31.823 -0.329 0.000 0.686 291 V HN 0.513 nan 8.190 nan 0.000 0.468 292 K N -0.252 120.089 120.400 -0.099 0.000 2.103 292 K HA 0.027 4.347 4.320 -0.000 0.000 0.204 292 K C 1.963 178.679 176.600 0.195 0.000 1.052 292 K CA 1.585 57.927 56.287 0.092 0.000 0.945 292 K CB -0.330 32.255 32.500 0.141 0.000 0.722 292 K HN 0.549 nan 8.250 nan 0.000 0.443 293 F N 1.860 121.901 119.950 0.151 0.000 2.134 293 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 293 F C 1.662 177.425 175.800 -0.061 0.000 1.097 293 F CA 1.267 59.311 58.000 0.073 0.000 1.264 293 F CB -0.142 38.940 39.000 0.137 0.000 1.001 293 F HN -0.124 nan 8.300 nan 0.000 0.479 294 L N -0.007 121.181 121.223 -0.058 0.000 2.093 294 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 294 L C 2.813 179.559 176.870 -0.207 0.000 1.085 294 L CA 1.061 55.796 54.840 -0.175 0.000 0.755 294 L CB -1.198 40.791 42.059 -0.117 0.000 0.904 294 L HN 0.271 nan 8.230 nan 0.000 0.435 295 A N 0.308 123.067 122.820 -0.102 0.000 1.933 295 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 295 A C 2.193 179.647 177.584 -0.217 0.000 1.175 295 A CA 1.503 53.502 52.037 -0.064 0.000 0.628 295 A CB -0.559 18.517 19.000 0.126 0.000 0.814 295 A HN 0.368 nan 8.150 nan 0.000 0.444 296 I N -0.791 119.577 120.570 -0.337 0.000 2.286 296 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 296 I C 2.562 178.351 176.117 -0.547 0.000 1.104 296 I CA 1.591 62.566 61.300 -0.542 0.000 1.397 296 I CB -0.660 36.995 38.000 -0.576 0.000 1.072 296 I HN 0.234 nan 8.210 nan 0.000 0.417 297 T N 0.312 114.525 114.554 -0.568 0.000 2.684 297 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 297 T C 1.986 176.515 174.700 -0.286 0.000 1.036 297 T CA 2.258 64.079 62.100 -0.465 0.000 1.148 297 T CB -0.642 67.878 68.868 -0.581 0.000 0.863 297 T HN 0.544 nan 8.240 nan 0.000 0.436 298 T N 0.545 114.948 114.554 -0.251 0.000 2.788 298 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 298 T C 1.737 176.326 174.700 -0.185 0.000 1.044 298 T CA 1.618 63.612 62.100 -0.177 0.000 1.139 298 T CB -0.568 68.212 68.868 -0.147 0.000 0.867 298 T HN 0.244 nan 8.240 nan 0.000 0.454 299 D N 0.348 120.606 120.400 -0.236 0.000 2.144 299 D HA -0.041 4.599 4.640 -0.000 0.000 0.200 299 D C 2.135 178.374 176.300 -0.101 0.000 0.978 299 D CA 0.614 54.496 54.000 -0.197 0.000 0.833 299 D CB -0.658 40.009 40.800 -0.221 0.000 0.961 299 D HN 0.478 nan 8.370 nan 0.000 0.470 300 C N -0.143 119.083 119.300 -0.124 0.000 2.413 300 C HA -0.082 4.377 4.460 -0.000 0.000 0.276 300 C C 2.832 177.801 174.990 -0.036 0.000 1.236 300 C CA 0.341 59.345 59.018 -0.023 0.000 1.735 300 C CB -1.149 26.554 27.740 -0.061 0.000 2.031 300 C HN 0.425 nan 8.230 nan 0.000 0.474 301 L N 0.423 121.606 121.223 -0.067 0.000 2.083 301 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 301 L C 2.912 179.761 176.870 -0.035 0.000 1.083 301 L CA 1.446 56.257 54.840 -0.047 0.000 0.752 301 L CB -0.808 41.217 42.059 -0.056 0.000 0.899 301 L HN 0.451 nan 8.230 nan 0.000 0.433 302 Q N 0.873 120.639 119.800 -0.057 0.000 2.050 302 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 302 Q C 2.248 178.246 176.000 -0.004 0.000 0.980 302 Q CA 1.832 57.606 55.803 -0.048 0.000 0.840 302 Q CB -0.175 28.493 28.738 -0.117 0.000 0.898 302 Q HN 0.547 nan 8.270 nan 0.000 0.424 303 I N 0.659 121.219 120.570 -0.017 0.000 2.208 303 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 303 I C 2.379 178.515 176.117 0.031 0.000 1.097 303 I CA 0.919 62.218 61.300 -0.002 0.000 1.363 303 I CB -0.231 37.758 38.000 -0.018 0.000 1.051 303 I HN 0.169 nan 8.210 nan 0.000 0.413 304 L N 0.133 121.367 121.223 0.018 0.000 2.156 304 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 304 L C 2.618 179.501 176.870 0.021 0.000 1.095 304 L CA 1.032 55.882 54.840 0.018 0.000 0.770 304 L CB -0.469 41.593 42.059 0.006 0.000 0.914 304 L HN 0.214 nan 8.230 nan 0.000 0.439 305 A N -1.341 121.495 122.820 0.026 0.000 2.030 305 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 305 A C 0.816 178.414 177.584 0.023 0.000 1.164 305 A CA -0.119 51.926 52.037 0.015 0.000 0.697 305 A CB -0.411 18.592 19.000 0.006 0.000 0.827 305 A HN 0.291 nan 8.150 nan 0.000 0.457 306 Y N 1.700 121.971 120.300 -0.049 0.000 2.804 306 Y HA 0.257 4.807 4.550 -0.000 0.000 0.338 306 Y C 1.402 177.276 175.900 -0.044 0.000 1.252 306 Y CA 0.623 58.693 58.100 -0.051 0.000 1.576 306 Y CB -0.301 38.124 38.460 -0.057 0.000 1.223 306 Y HN 0.536 nan 8.280 nan 0.000 0.536 307 G N 4.692 113.053 108.800 -0.732 0.000 2.258 307 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.274 307 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.274 307 G C 0.015 174.765 174.900 -0.250 0.000 1.021 307 G CA 0.430 45.196 45.100 -0.556 0.000 0.798 307 G HN 0.835 nan 8.290 nan 0.000 0.507 308 N N -0.225 118.377 118.700 -0.163 0.000 2.664 308 N HA 0.297 5.036 4.740 -0.000 0.000 0.257 308 N C 1.162 176.630 175.510 -0.070 0.000 1.108 308 N CA -0.310 52.686 53.050 -0.090 0.000 0.822 308 N CB 1.207 39.662 38.487 -0.053 0.000 1.199 308 N HN 0.161 nan 8.380 nan 0.000 0.529 309 Q N 1.911 121.670 119.800 -0.069 0.000 2.045 309 Q HA -0.211 4.128 4.340 -0.000 0.000 0.206 309 Q C 1.532 177.510 176.000 -0.035 0.000 0.991 309 Q CA 2.056 57.828 55.803 -0.052 0.000 0.851 309 Q CB -0.076 28.633 28.738 -0.048 0.000 0.911 309 Q HN 0.747 nan 8.270 nan 0.000 0.418 310 E N -1.011 119.171 120.200 -0.030 0.000 2.086 310 E HA -0.234 4.116 4.350 -0.000 0.000 0.200 310 E C 1.835 178.425 176.600 -0.017 0.000 1.012 310 E CA 1.651 58.039 56.400 -0.020 0.000 0.812 310 E CB -0.187 29.503 29.700 -0.017 0.000 0.743 310 E HN 0.387 nan 8.360 nan 0.000 0.453 311 S N 0.351 116.040 115.700 -0.019 0.000 2.383 311 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 311 S C 1.742 176.333 174.600 -0.014 0.000 1.026 311 S CA 1.146 59.337 58.200 -0.013 0.000 0.981 311 S CB -0.094 63.099 63.200 -0.012 0.000 0.818 311 S HN 0.263 nan 8.310 nan 0.000 0.472 312 K N 1.074 121.461 120.400 -0.021 0.000 2.097 312 K HA -0.010 4.310 4.320 -0.000 0.000 0.206 312 K C 1.920 178.511 176.600 -0.014 0.000 1.049 312 K CA 0.996 57.271 56.287 -0.020 0.000 0.933 312 K CB -0.378 32.105 32.500 -0.029 0.000 0.717 312 K HN 0.316 nan 8.250 nan 0.000 0.442 313 L N 0.698 121.913 121.223 -0.014 0.000 2.156 313 L HA -0.118 4.221 4.340 -0.000 0.000 0.208 313 L C 2.304 179.170 176.870 -0.006 0.000 1.095 313 L CA 0.877 55.711 54.840 -0.010 0.000 0.770 313 L CB -0.322 41.730 42.059 -0.011 0.000 0.914 313 L HN 0.160 nan 8.230 nan 0.000 0.439 314 I N -0.220 120.347 120.570 -0.006 0.000 2.353 314 I HA -0.269 3.900 4.170 -0.000 0.000 0.248 314 I C 2.380 178.497 176.117 -0.001 0.000 1.119 314 I CA 1.324 62.623 61.300 -0.002 0.000 1.417 314 I CB -0.101 37.898 38.000 -0.001 0.000 1.078 314 I HN 0.173 nan 8.210 nan 0.000 0.421 315 I N 0.248 120.817 120.570 -0.003 0.000 2.226 315 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 315 I C 2.514 178.631 176.117 0.001 0.000 1.100 315 I CA 1.080 62.379 61.300 -0.002 0.000 1.374 315 I CB -0.237 37.760 38.000 -0.005 0.000 1.057 315 I HN 0.239 nan 8.210 nan 0.000 0.413 316 L N 1.407 122.629 121.223 -0.001 0.000 2.017 316 L HA -0.148 4.191 4.340 -0.000 0.000 0.208 316 L C 2.536 179.407 176.870 0.003 0.000 1.073 316 L CA 2.243 57.084 54.840 0.001 0.000 0.745 316 L CB -0.851 41.207 42.059 -0.001 0.000 0.894 316 L HN 0.177 nan 8.230 nan 0.000 0.432 317 A N -1.656 121.165 122.820 0.002 0.000 2.070 317 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 317 A C 2.190 179.778 177.584 0.006 0.000 1.159 317 A CA 1.711 53.750 52.037 0.004 0.000 0.656 317 A CB -0.711 18.290 19.000 0.002 0.000 0.800 317 A HN 0.545 nan 8.150 nan 0.000 0.453 318 S N -1.462 114.243 115.700 0.007 0.000 2.631 318 S HA 0.373 4.842 4.470 -0.000 0.000 0.217 318 S C 1.271 175.878 174.600 0.013 0.000 0.958 318 S CA 0.648 58.854 58.200 0.010 0.000 0.920 318 S CB 0.038 63.245 63.200 0.010 0.000 0.776 318 S HN 1.586 nan 8.310 nan 0.000 0.517 319 G N 1.118 109.925 108.800 0.012 0.000 2.137 319 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.237 319 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.237 319 G C 0.855 175.765 174.900 0.016 0.000 1.002 319 G CA 0.214 45.323 45.100 0.014 0.000 0.702 319 G HN 0.587 nan 8.290 nan 0.000 0.515 320 G N 1.029 109.836 108.800 0.012 0.000 2.514 320 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.217 320 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.217 320 G C 0.167 175.075 174.900 0.014 0.000 1.198 320 G CA 1.853 46.959 45.100 0.011 0.000 0.780 320 G HN 0.534 nan 8.290 nan 0.000 0.565 321 P HA -0.188 nan 4.420 nan 0.000 0.215 321 P C 1.867 179.180 177.300 0.021 0.000 1.163 321 P CA 1.935 65.044 63.100 0.015 0.000 0.894 321 P CB -0.028 31.679 31.700 0.012 0.000 0.791 322 Q N -0.571 119.242 119.800 0.021 0.000 2.079 322 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 322 Q C 2.070 178.090 176.000 0.034 0.000 0.974 322 Q CA 1.989 57.807 55.803 0.025 0.000 0.840 322 Q CB -1.268 27.483 28.738 0.021 0.000 0.898 322 Q HN 0.112 nan 8.270 nan 0.000 0.430 323 A N -0.115 122.726 122.820 0.036 0.000 1.902 323 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 323 A C 2.055 179.675 177.584 0.059 0.000 1.181 323 A CA 1.373 53.440 52.037 0.050 0.000 0.623 323 A CB -0.684 18.343 19.000 0.045 0.000 0.818 323 A HN 0.438 nan 8.150 nan 0.000 0.443 324 L N -0.801 120.448 121.223 0.043 0.000 2.072 324 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 324 L C 2.490 179.395 176.870 0.058 0.000 1.079 324 L CA 0.817 55.683 54.840 0.043 0.000 0.752 324 L CB -0.515 41.556 42.059 0.021 0.000 0.906 324 L HN 0.221 nan 8.230 nan 0.000 0.436 325 V N 0.207 120.151 119.914 0.050 0.000 2.343 325 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 325 V C 2.235 178.367 176.094 0.064 0.000 1.051 325 V CA 1.714 64.047 62.300 0.055 0.000 1.036 325 V CB -0.671 31.176 31.823 0.040 0.000 0.654 325 V HN 0.472 nan 8.190 nan 0.000 0.451 326 N N 0.302 119.037 118.700 0.060 0.000 2.069 326 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 326 N C 1.737 177.294 175.510 0.078 0.000 1.031 326 N CA 1.625 54.708 53.050 0.054 0.000 0.852 326 N CB -0.421 38.099 38.487 0.056 0.000 1.018 326 N HN 0.425 nan 8.380 nan 0.000 0.423 327 I N 0.598 121.256 120.570 0.147 0.000 2.208 327 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 327 I C 1.893 178.142 176.117 0.220 0.000 1.097 327 I CA 0.946 62.409 61.300 0.272 0.000 1.363 327 I CB -0.152 37.993 38.000 0.241 0.000 1.051 327 I HN 0.108 nan 8.210 nan 0.000 0.413 328 M N -0.102 119.590 119.600 0.155 0.000 2.279 328 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 328 M C 2.079 178.534 176.300 0.258 0.000 1.062 328 M CA 1.666 57.082 55.300 0.193 0.000 1.099 328 M CB -1.155 31.550 32.600 0.176 0.000 1.394 328 M HN 0.234 nan 8.290 nan 0.000 0.426 329 R N -1.356 119.217 120.500 0.122 0.000 2.290 329 R HA 0.094 4.433 4.340 -0.000 0.000 0.197 329 R C 1.590 177.877 176.300 -0.021 0.000 0.913 329 R CA 0.652 56.784 56.100 0.054 0.000 1.040 329 R CB 0.147 30.455 30.300 0.014 0.000 0.992 329 R HN 0.300 nan 8.270 nan 0.000 0.500 330 T N -0.808 113.687 114.554 -0.098 0.000 3.038 330 T HA 0.134 4.484 4.350 -0.000 0.000 0.244 330 T C 0.009 174.426 174.700 -0.471 0.000 1.016 330 T CA 0.611 62.493 62.100 -0.363 0.000 1.098 330 T CB 0.113 68.582 68.868 -0.664 0.000 0.954 330 T HN -0.011 nan 8.240 nan 0.000 0.469 331 Y N 1.266 121.626 120.300 0.101 0.000 2.488 331 Y HA 0.453 5.003 4.550 -0.000 0.000 0.325 331 Y C 1.622 177.601 175.900 0.132 0.000 1.204 331 Y CA -0.792 57.374 58.100 0.109 0.000 1.229 331 Y CB 1.104 39.632 38.460 0.113 0.000 1.274 331 Y HN -0.026 nan 8.280 nan 0.000 0.493 332 T N -3.472 111.269 114.554 0.312 0.000 3.043 332 T HA 0.095 4.445 4.350 -0.000 0.000 0.272 332 T C -0.463 174.378 174.700 0.235 0.000 0.990 332 T CA -0.144 62.094 62.100 0.229 0.000 0.897 332 T CB -0.531 68.442 68.868 0.176 0.000 1.111 332 T HN 0.416 nan 8.240 nan 0.000 0.529 333 Y N 3.543 123.919 120.300 0.127 0.000 2.650 333 Y HA 0.261 4.811 4.550 -0.000 0.000 0.342 333 Y C 1.602 177.541 175.900 0.065 0.000 1.110 333 Y CA -1.385 56.764 58.100 0.080 0.000 1.438 333 Y CB 0.631 39.127 38.460 0.061 0.000 1.181 333 Y HN 0.127 nan 8.280 nan 0.000 0.526 334 E N 4.987 125.037 120.200 -0.250 0.000 2.070 334 E HA -0.306 4.044 4.350 -0.000 0.000 0.197 334 E C 1.659 178.106 176.600 -0.255 0.000 1.004 334 E CA 1.866 58.128 56.400 -0.230 0.000 0.805 334 E CB 0.091 29.670 29.700 -0.201 0.000 0.744 334 E HN 0.859 nan 8.360 nan 0.000 0.451 335 K N 0.063 120.117 120.400 -0.578 0.000 2.097 335 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 335 K C 2.398 179.001 176.600 0.004 0.000 1.049 335 K CA 1.137 57.284 56.287 -0.233 0.000 0.933 335 K CB -0.179 32.111 32.500 -0.350 0.000 0.717 335 K HN 0.106 nan 8.250 nan 0.000 0.442 336 L N 1.244 122.450 121.223 -0.029 0.000 2.072 336 L HA -0.071 4.268 4.340 -0.000 0.000 0.205 336 L C 1.818 178.708 176.870 0.034 0.000 1.079 336 L CA 1.396 56.293 54.840 0.095 0.000 0.752 336 L CB -0.273 41.913 42.059 0.213 0.000 0.906 336 L HN 0.172 nan 8.230 nan 0.000 0.436 337 L N -1.855 119.376 121.223 0.013 0.000 2.083 337 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 337 L C 2.394 179.259 176.870 -0.009 0.000 1.083 337 L CA 1.594 56.399 54.840 -0.059 0.000 0.752 337 L CB -0.785 41.154 42.059 -0.201 0.000 0.899 337 L HN 0.536 nan 8.230 nan 0.000 0.433 338 W N 1.403 122.626 121.300 -0.129 0.000 2.378 338 W HA -0.234 4.426 4.660 -0.001 0.000 0.313 338 W C 2.855 179.341 176.519 -0.054 0.000 1.197 338 W CA 2.275 59.566 57.345 -0.090 0.000 1.304 338 W CB -0.664 28.737 29.460 -0.097 0.000 1.148 338 W HN 0.248 nan 8.180 nan 0.000 0.494 339 T N -2.470 111.875 114.554 -0.349 0.000 2.788 339 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 339 T C 1.666 176.165 174.700 -0.335 0.000 1.044 339 T CA 2.220 63.991 62.100 -0.548 0.000 1.139 339 T CB -1.169 67.517 68.868 -0.303 0.000 0.867 339 T HN 0.139 nan 8.240 nan 0.000 0.454 340 T N 2.503 116.948 114.554 -0.181 0.000 2.821 340 T HA -0.093 4.256 4.350 -0.000 0.000 0.267 340 T C 2.484 177.123 174.700 -0.102 0.000 1.046 340 T CA 1.681 63.715 62.100 -0.109 0.000 1.139 340 T CB -0.638 68.207 68.868 -0.038 0.000 0.871 340 T HN 0.760 nan 8.240 nan 0.000 0.454 341 S N 1.849 117.483 115.700 -0.111 0.000 2.399 341 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 341 S C 2.046 176.599 174.600 -0.078 0.000 1.022 341 S CA 0.684 58.849 58.200 -0.058 0.000 0.983 341 S CB -0.341 62.851 63.200 -0.014 0.000 0.803 341 S HN 0.451 nan 8.310 nan 0.000 0.480 342 R N 0.474 120.851 120.500 -0.206 0.000 2.090 342 R HA 0.093 4.433 4.340 -0.000 0.000 0.228 342 R C 2.298 178.531 176.300 -0.112 0.000 1.110 342 R CA 1.219 57.206 56.100 -0.189 0.000 0.973 342 R CB -0.625 29.438 30.300 -0.395 0.000 0.869 342 R HN 0.350 nan 8.270 nan 0.000 0.440 343 V N 1.500 121.340 119.914 -0.123 0.000 2.343 343 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 343 V C 2.272 178.349 176.094 -0.029 0.000 1.051 343 V CA 1.615 63.873 62.300 -0.069 0.000 1.036 343 V CB -0.405 31.374 31.823 -0.073 0.000 0.654 343 V HN 0.278 nan 8.190 nan 0.000 0.451 344 L N -0.130 121.080 121.223 -0.023 0.000 2.083 344 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 344 L C 2.606 179.489 176.870 0.022 0.000 1.083 344 L CA 1.869 56.712 54.840 0.005 0.000 0.752 344 L CB -0.560 41.509 42.059 0.016 0.000 0.899 344 L HN 0.339 nan 8.230 nan 0.000 0.433 345 K N 0.099 120.517 120.400 0.030 0.000 2.026 345 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 345 K C 2.015 178.638 176.600 0.038 0.000 1.048 345 K CA 1.515 57.837 56.287 0.058 0.000 0.929 345 K CB -0.018 32.537 32.500 0.091 0.000 0.713 345 K HN 0.067 nan 8.250 nan 0.000 0.439 346 V N 1.876 121.810 119.914 0.034 0.000 2.343 346 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 346 V C 2.284 178.382 176.094 0.006 0.000 1.051 346 V CA 1.661 63.985 62.300 0.040 0.000 1.036 346 V CB -0.342 31.522 31.823 0.068 0.000 0.654 346 V HN 0.344 nan 8.190 nan 0.000 0.451 347 L N 0.776 122.001 121.223 0.004 0.000 2.217 347 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 347 L C 2.536 179.406 176.870 -0.000 0.000 1.107 347 L CA 1.452 56.291 54.840 -0.003 0.000 0.783 347 L CB -0.689 41.369 42.059 -0.001 0.000 0.919 347 L HN 0.544 nan 8.230 nan 0.000 0.442 348 S N -0.194 115.513 115.700 0.010 0.000 2.547 348 S HA -0.075 4.395 4.470 -0.000 0.000 0.235 348 S C 1.532 176.135 174.600 0.006 0.000 0.980 348 S CA 0.788 58.998 58.200 0.015 0.000 0.941 348 S CB -0.527 62.693 63.200 0.034 0.000 0.763 348 S HN 0.362 nan 8.310 nan 0.000 0.532 349 V N -1.762 118.148 119.914 -0.008 0.000 3.647 349 V HA 0.399 4.519 4.120 -0.000 0.000 0.279 349 V C 0.864 176.941 176.094 -0.027 0.000 1.314 349 V CA -0.526 61.761 62.300 -0.020 0.000 1.125 349 V CB -1.235 30.566 31.823 -0.036 0.000 0.907 349 V HN 0.626 nan 8.190 nan 0.000 0.434 350 C N 2.509 121.795 119.300 -0.023 0.000 2.285 350 C HA 0.578 5.038 4.460 -0.000 0.000 0.335 350 C C 2.307 177.288 174.990 -0.015 0.000 1.267 350 C CA 0.381 59.385 59.018 -0.024 0.000 1.762 350 C CB 0.472 28.198 27.740 -0.024 0.000 2.365 350 C HN 0.735 nan 8.230 nan 0.000 0.527 351 S N 3.768 119.458 115.700 -0.016 0.000 2.465 351 S HA -0.122 4.348 4.470 -0.000 0.000 0.241 351 S C 1.458 176.054 174.600 -0.008 0.000 1.000 351 S CA 1.761 59.955 58.200 -0.011 0.000 0.964 351 S CB -0.202 62.991 63.200 -0.012 0.000 0.763 351 S HN 0.838 nan 8.310 nan 0.000 0.512 352 S N 1.805 117.500 115.700 -0.009 0.000 2.427 352 S HA 0.162 4.631 4.470 -0.000 0.000 0.224 352 S C 1.787 176.385 174.600 -0.004 0.000 1.047 352 S CA 0.077 58.274 58.200 -0.006 0.000 0.953 352 S CB -0.325 62.870 63.200 -0.008 0.000 0.824 352 S HN 0.554 nan 8.310 nan 0.000 0.502 353 N N 1.639 120.336 118.700 -0.005 0.000 2.270 353 N HA -0.035 4.705 4.740 -0.000 0.000 0.181 353 N C 1.695 177.206 175.510 0.002 0.000 1.016 353 N CA 0.660 53.709 53.050 -0.001 0.000 0.870 353 N CB -0.105 38.380 38.487 -0.003 0.000 0.979 353 N HN 0.393 nan 8.380 nan 0.000 0.431 354 K N 1.404 121.805 120.400 0.002 0.000 2.001 354 K HA -0.141 4.178 4.320 -0.000 0.000 0.214 354 K C -0.903 175.701 176.600 0.007 0.000 1.050 354 K CA 1.599 57.889 56.287 0.006 0.000 0.934 354 K CB -0.640 31.863 32.500 0.004 0.000 0.718 354 K HN 0.057 nan 8.250 nan 0.000 0.443 355 P HA -0.098 nan 4.420 nan 0.000 0.217 355 P C 0.799 178.101 177.300 0.005 0.000 1.150 355 P CA 1.731 64.833 63.100 0.004 0.000 0.832 355 P CB -0.024 31.677 31.700 0.002 0.000 0.787 356 A N -0.551 122.272 122.820 0.005 0.000 1.898 356 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 356 A C 2.175 179.765 177.584 0.009 0.000 1.181 356 A CA 1.376 53.417 52.037 0.006 0.000 0.620 356 A CB -1.592 17.411 19.000 0.005 0.000 0.819 356 A HN 0.109 nan 8.150 nan 0.000 0.442 357 I N -0.388 120.188 120.570 0.011 0.000 2.226 357 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 357 I C 2.268 178.394 176.117 0.015 0.000 1.100 357 I CA 1.012 62.321 61.300 0.015 0.000 1.374 357 I CB -0.286 37.724 38.000 0.018 0.000 1.057 357 I HN 0.142 nan 8.210 nan 0.000 0.413 358 V N 0.368 120.289 119.914 0.012 0.000 2.427 358 V HA -0.205 3.914 4.120 -0.000 0.000 0.248 358 V C 2.454 178.552 176.094 0.006 0.000 1.051 358 V CA 1.599 63.905 62.300 0.010 0.000 1.048 358 V CB -0.574 31.253 31.823 0.007 0.000 0.666 358 V HN 0.378 nan 8.190 nan 0.000 0.456 359 E N 0.411 120.615 120.200 0.006 0.000 2.152 359 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 359 E C 2.208 178.812 176.600 0.006 0.000 0.983 359 E CA 1.266 57.669 56.400 0.004 0.000 0.818 359 E CB -0.318 29.384 29.700 0.004 0.000 0.758 359 E HN 0.566 nan 8.360 nan 0.000 0.467 360 A N -0.035 122.791 122.820 0.009 0.000 2.235 360 A HA 0.216 4.536 4.320 -0.000 0.000 0.208 360 A C 1.537 179.128 177.584 0.012 0.000 1.172 360 A CA 1.093 53.137 52.037 0.011 0.000 0.786 360 A CB -0.237 18.772 19.000 0.016 0.000 0.804 360 A HN 0.256 nan 8.150 nan 0.000 0.479 361 G N -2.255 106.551 108.800 0.010 0.000 2.140 361 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.211 361 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.211 361 G C 1.126 176.035 174.900 0.015 0.000 1.013 361 G CA 0.513 45.617 45.100 0.008 0.000 0.705 361 G HN 1.170 nan 8.290 nan 0.000 0.508 362 G N 0.143 108.955 108.800 0.020 0.000 2.440 362 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.218 362 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.218 362 G C 1.911 176.829 174.900 0.030 0.000 1.154 362 G CA 1.741 46.858 45.100 0.029 0.000 0.767 362 G HN 0.422 nan 8.290 nan 0.000 0.552 363 M N 0.277 119.890 119.600 0.021 0.000 2.073 363 M HA -0.136 4.344 4.480 -0.000 0.000 0.258 363 M C 2.684 178.991 176.300 0.012 0.000 1.070 363 M CA 1.553 56.863 55.300 0.018 0.000 1.103 363 M CB -1.316 31.290 32.600 0.009 0.000 1.321 363 M HN 0.233 nan 8.290 nan 0.000 0.405 364 Q N 0.022 119.824 119.800 0.003 0.000 2.079 364 Q HA 0.005 4.345 4.340 -0.000 0.000 0.200 364 Q C 2.260 178.253 176.000 -0.011 0.000 0.974 364 Q CA 1.974 57.771 55.803 -0.009 0.000 0.840 364 Q CB -0.705 28.025 28.738 -0.013 0.000 0.898 364 Q HN 0.601 nan 8.270 nan 0.000 0.430 365 A N 0.484 123.311 122.820 0.010 0.000 1.877 365 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 365 A C 2.055 179.678 177.584 0.065 0.000 1.186 365 A CA 1.287 53.342 52.037 0.030 0.000 0.620 365 A CB -0.766 18.269 19.000 0.058 0.000 0.822 365 A HN 0.344 nan 8.150 nan 0.000 0.443 366 L N -0.653 120.620 121.223 0.084 0.000 2.141 366 L HA -0.088 4.251 4.340 -0.000 0.000 0.209 366 L C 2.716 179.631 176.870 0.075 0.000 1.094 366 L CA 0.869 55.786 54.840 0.129 0.000 0.763 366 L CB -0.649 41.464 42.059 0.091 0.000 0.908 366 L HN 0.489 nan 8.230 nan 0.000 0.437 367 G N -0.008 108.799 108.800 0.012 0.000 2.470 367 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 367 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 367 G C 1.567 176.417 174.900 -0.084 0.000 1.121 367 G CA 0.261 45.348 45.100 -0.022 0.000 0.766 367 G HN 0.279 nan 8.290 nan 0.000 0.553 368 L N -0.100 121.013 121.223 -0.184 0.000 2.362 368 L HA 0.020 4.360 4.340 -0.000 0.000 0.219 368 L C 1.773 178.345 176.870 -0.497 0.000 1.134 368 L CA 0.633 55.252 54.840 -0.368 0.000 0.807 368 L CB -0.202 41.539 42.059 -0.529 0.000 0.927 368 L HN 0.291 nan 8.230 nan 0.000 0.447 369 H N -1.063 118.012 119.070 0.008 0.000 2.592 369 H HA 0.217 4.772 4.556 -0.000 0.000 0.279 369 H C 1.894 177.220 175.328 -0.005 0.000 1.089 369 H CA -0.052 56.002 56.048 0.008 0.000 1.150 369 H CB 0.575 30.350 29.762 0.022 0.000 1.575 369 H HN 0.304 nan 8.280 nan 0.000 0.547 370 L N 1.034 122.281 121.223 0.041 0.000 2.456 370 L HA -0.070 4.270 4.340 -0.000 0.000 0.224 370 L C 1.784 178.655 176.870 0.002 0.000 1.148 370 L CA 1.558 56.407 54.840 0.015 0.000 0.825 370 L CB -0.187 41.868 42.059 -0.007 0.000 0.937 370 L HN 0.246 nan 8.230 nan 0.000 0.450 371 T N -5.759 108.798 114.554 0.005 0.000 3.085 371 T HA 0.070 4.420 4.350 -0.000 0.000 0.264 371 T C 0.550 175.256 174.700 0.010 0.000 1.019 371 T CA -0.543 61.556 62.100 -0.002 0.000 0.910 371 T CB -0.029 68.834 68.868 -0.009 0.000 1.059 371 T HN 0.087 nan 8.240 nan 0.000 0.542 372 D N 2.449 122.870 120.400 0.034 0.000 2.423 372 D HA 0.078 4.718 4.640 -0.000 0.000 0.238 372 D C -1.448 174.856 176.300 0.006 0.000 1.142 372 D CA -1.307 52.717 54.000 0.041 0.000 0.884 372 D CB 1.717 42.565 40.800 0.079 0.000 1.199 372 D HN 0.016 nan 8.370 nan 0.000 0.438 373 P HA -0.056 nan 4.420 nan 0.000 0.221 373 P C 0.257 177.533 177.300 -0.040 0.000 1.150 373 P CA 0.473 63.561 63.100 -0.021 0.000 0.800 373 P CB 0.193 31.882 31.700 -0.018 0.000 0.787 374 S N 0.184 115.857 115.700 -0.045 0.000 2.443 374 S HA 0.003 4.473 4.470 -0.000 0.000 0.284 374 S C 1.241 175.795 174.600 -0.077 0.000 1.206 374 S CA -0.209 57.944 58.200 -0.079 0.000 1.074 374 S CB -0.090 63.055 63.200 -0.091 0.000 0.963 374 S HN 0.099 nan 8.310 nan 0.000 0.501 375 Q N 4.025 123.769 119.800 -0.093 0.000 2.119 375 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 375 Q C 2.309 178.245 176.000 -0.107 0.000 0.972 375 Q CA 1.495 57.241 55.803 -0.094 0.000 0.847 375 Q CB -0.138 28.546 28.738 -0.090 0.000 0.903 375 Q HN 0.902 nan 8.270 nan 0.000 0.433 376 R N 0.516 120.939 120.500 -0.128 0.000 2.092 376 R HA -0.128 4.212 4.340 -0.000 0.000 0.231 376 R C 2.135 178.468 176.300 0.054 0.000 1.119 376 R CA 1.182 57.227 56.100 -0.092 0.000 0.970 376 R CB -0.573 29.543 30.300 -0.307 0.000 0.864 376 R HN 0.163 nan 8.270 nan 0.000 0.440 377 L N 1.408 122.649 121.223 0.031 0.000 2.005 377 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 377 L C 2.235 179.132 176.870 0.046 0.000 1.072 377 L CA 1.427 56.338 54.840 0.119 0.000 0.744 377 L CB -0.416 41.672 42.059 0.050 0.000 0.895 377 L HN 0.052 nan 8.230 nan 0.000 0.433 378 V N -0.202 119.705 119.914 -0.013 0.000 2.287 378 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 378 V C 2.681 178.696 176.094 -0.132 0.000 1.053 378 V CA 1.993 64.267 62.300 -0.045 0.000 1.027 378 V CB -0.737 31.049 31.823 -0.061 0.000 0.646 378 V HN 0.595 nan 8.190 nan 0.000 0.447 379 Q N 0.430 120.092 119.800 -0.230 0.000 2.124 379 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 379 Q C 2.028 177.690 176.000 -0.564 0.000 0.977 379 Q CA 1.786 57.266 55.803 -0.539 0.000 0.850 379 Q CB -0.477 27.849 28.738 -0.687 0.000 0.901 379 Q HN 0.635 nan 8.270 nan 0.000 0.429 380 N N -0.956 117.656 118.700 -0.147 0.000 2.244 380 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 380 N C 1.621 177.200 175.510 0.115 0.000 1.016 380 N CA 1.262 54.399 53.050 0.145 0.000 0.866 380 N CB -0.201 38.423 38.487 0.227 0.000 0.980 380 N HN 0.318 nan 8.380 nan 0.000 0.430 381 C N 0.812 120.137 119.300 0.041 0.000 2.446 381 C HA 0.043 4.503 4.460 -0.000 0.000 0.277 381 C C 2.841 177.855 174.990 0.040 0.000 1.275 381 C CA 0.109 59.163 59.018 0.058 0.000 1.727 381 C CB -1.087 26.695 27.740 0.069 0.000 2.010 381 C HN 0.404 nan 8.230 nan 0.000 0.486 382 L N -0.685 120.511 121.223 -0.046 0.000 2.046 382 L HA -0.159 4.180 4.340 -0.000 0.000 0.208 382 L C 2.712 179.617 176.870 0.058 0.000 1.077 382 L CA 1.454 56.262 54.840 -0.054 0.000 0.747 382 L CB -0.555 41.397 42.059 -0.178 0.000 0.896 382 L HN 0.495 nan 8.230 nan 0.000 0.432 383 W N 0.359 121.679 121.300 0.034 0.000 2.358 383 W HA -0.129 4.531 4.660 -0.001 0.000 0.303 383 W C 2.698 179.231 176.519 0.024 0.000 1.208 383 W CA 1.469 58.831 57.345 0.029 0.000 1.274 383 W CB -1.384 28.096 29.460 0.032 0.000 1.138 383 W HN 0.162 nan 8.180 nan 0.000 0.515 384 T N 1.258 115.969 114.554 0.261 0.000 2.737 384 T HA -0.155 4.195 4.350 -0.000 0.000 0.265 384 T C 2.150 176.917 174.700 0.111 0.000 1.038 384 T CA 1.299 63.490 62.100 0.152 0.000 1.144 384 T CB -0.692 68.245 68.868 0.115 0.000 0.866 384 T HN -0.008 nan 8.240 nan 0.000 0.434 385 L N 0.453 121.736 121.223 0.100 0.000 2.042 385 L HA -0.146 4.193 4.340 -0.000 0.000 0.210 385 L C 2.898 179.812 176.870 0.073 0.000 1.076 385 L CA 1.505 56.388 54.840 0.071 0.000 0.749 385 L CB -0.410 41.681 42.059 0.053 0.000 0.893 385 L HN 0.163 nan 8.230 nan 0.000 0.432 386 R N -0.081 120.479 120.500 0.100 0.000 2.075 386 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 386 R C 2.140 178.488 176.300 0.080 0.000 1.126 386 R CA 1.531 57.688 56.100 0.095 0.000 0.963 386 R CB -0.066 30.314 30.300 0.134 0.000 0.858 386 R HN 0.389 nan 8.270 nan 0.000 0.435 387 N N 0.663 119.415 118.700 0.087 0.000 2.120 387 N HA -0.159 4.580 4.740 -0.000 0.000 0.188 387 N C 1.734 177.269 175.510 0.042 0.000 1.024 387 N CA 1.251 54.335 53.050 0.056 0.000 0.852 387 N CB -0.172 38.347 38.487 0.052 0.000 1.003 387 N HN 0.280 nan 8.380 nan 0.000 0.424 388 L N 0.752 122.003 121.223 0.045 0.000 2.313 388 L HA -0.003 4.337 4.340 -0.000 0.000 0.214 388 L C 2.311 179.198 176.870 0.029 0.000 1.119 388 L CA 0.558 55.417 54.840 0.033 0.000 0.809 388 L CB -0.496 41.583 42.059 0.034 0.000 0.933 388 L HN 0.176 nan 8.230 nan 0.000 0.449 389 S N 0.459 116.180 115.700 0.035 0.000 2.402 389 S HA -0.242 4.228 4.470 -0.000 0.000 0.233 389 S C 1.558 176.174 174.600 0.026 0.000 1.030 389 S CA 1.517 59.735 58.200 0.031 0.000 1.003 389 S CB -0.639 62.584 63.200 0.039 0.000 0.813 389 S HN 0.641 nan 8.310 nan 0.000 0.477 390 D N 1.593 122.009 120.400 0.027 0.000 2.378 390 D HA 0.192 4.832 4.640 -0.000 0.000 0.227 390 D C 0.950 177.259 176.300 0.014 0.000 1.012 390 D CA 0.764 54.778 54.000 0.023 0.000 0.905 390 D CB -0.215 40.599 40.800 0.024 0.000 0.895 390 D HN 0.624 nan 8.370 nan 0.000 0.532 391 A N -0.689 122.139 122.820 0.012 0.000 2.624 391 A HA 0.665 4.984 4.320 -0.000 0.000 0.287 391 A C 1.165 178.751 177.584 0.003 0.000 1.087 391 A CA 0.088 52.128 52.037 0.006 0.000 0.964 391 A CB 0.562 19.566 19.000 0.007 0.000 1.231 391 A HN 0.238 nan 8.150 nan 0.000 0.551 392 A N -0.216 122.606 122.820 0.002 0.000 2.571 392 A HA 0.331 4.650 4.320 -0.000 0.000 0.274 392 A C 1.496 179.072 177.584 -0.013 0.000 1.196 392 A CA 0.964 52.999 52.037 -0.003 0.000 0.957 392 A CB -0.850 18.151 19.000 0.001 0.000 1.150 392 A HN 0.672 nan 8.150 nan 0.000 0.539 393 T N -2.257 112.288 114.554 -0.015 0.000 3.320 393 T HA 0.038 4.388 4.350 -0.000 0.000 0.262 393 T C 0.857 175.532 174.700 -0.041 0.000 1.187 393 T CA 0.911 62.994 62.100 -0.029 0.000 1.038 393 T CB -0.245 68.606 68.868 -0.028 0.000 0.939 393 T HN 0.132 nan 8.240 nan 0.000 0.550 394 K N 0.160 120.540 120.400 -0.034 0.000 2.501 394 K HA 0.301 4.620 4.320 -0.000 0.000 0.204 394 K C 0.286 176.863 176.600 -0.038 0.000 1.067 394 K CA -0.165 56.099 56.287 -0.039 0.000 1.060 394 K CB 0.742 33.227 32.500 -0.025 0.000 0.873 394 K HN 0.400 nan 8.250 nan 0.000 0.540 395 Q N 0.821 120.599 119.800 -0.036 0.000 2.212 395 Q HA 0.310 4.649 4.340 -0.000 0.000 0.238 395 Q C -0.044 175.930 176.000 -0.043 0.000 0.955 395 Q CA 0.118 55.902 55.803 -0.031 0.000 0.906 395 Q CB 1.647 30.372 28.738 -0.021 0.000 1.215 395 Q HN 0.148 nan 8.270 nan 0.000 0.478 396 E N -1.228 118.950 120.200 -0.037 0.000 2.428 396 E HA 0.510 4.859 4.350 -0.000 0.000 0.259 396 E C -0.235 176.346 176.600 -0.031 0.000 0.930 396 E CA -0.727 55.648 56.400 -0.042 0.000 0.823 396 E CB 1.315 30.991 29.700 -0.041 0.000 1.403 396 E HN 0.774 nan 8.360 nan 0.000 0.415 397 G N 0.997 109.779 108.800 -0.031 0.000 2.221 397 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.265 397 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.265 397 G C 0.532 175.416 174.900 -0.026 0.000 1.041 397 G CA 0.413 45.498 45.100 -0.025 0.000 0.807 397 G HN 0.245 nan 8.290 nan 0.000 0.502 398 M N -0.648 118.934 119.600 -0.030 0.000 2.428 398 M HA 0.158 4.638 4.480 -0.000 0.000 0.239 398 M C 1.956 178.240 176.300 -0.027 0.000 1.121 398 M CA 0.796 56.079 55.300 -0.029 0.000 1.019 398 M CB -0.239 32.341 32.600 -0.034 0.000 1.485 398 M HN 0.300 nan 8.290 nan 0.000 0.484 399 E N 1.212 121.396 120.200 -0.026 0.000 2.065 399 E HA -0.153 4.196 4.350 -0.000 0.000 0.201 399 E C 2.164 178.752 176.600 -0.020 0.000 1.016 399 E CA 1.911 58.298 56.400 -0.022 0.000 0.818 399 E CB -1.059 28.630 29.700 -0.018 0.000 0.749 399 E HN 0.563 nan 8.360 nan 0.000 0.453 400 G N 0.851 109.638 108.800 -0.023 0.000 2.421 400 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 400 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 400 G C 1.525 176.409 174.900 -0.025 0.000 1.171 400 G CA 0.917 46.002 45.100 -0.025 0.000 0.775 400 G HN 0.230 nan 8.290 nan 0.000 0.543 401 L N 0.641 121.849 121.223 -0.025 0.000 2.012 401 L HA 0.020 4.360 4.340 -0.000 0.000 0.210 401 L C 2.707 179.567 176.870 -0.017 0.000 1.073 401 L CA 1.536 56.364 54.840 -0.020 0.000 0.748 401 L CB -0.646 41.403 42.059 -0.016 0.000 0.891 401 L HN 0.233 nan 8.230 nan 0.000 0.431 402 L N -0.598 120.615 121.223 -0.017 0.000 2.046 402 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 402 L C 2.574 179.436 176.870 -0.014 0.000 1.077 402 L CA 1.279 56.110 54.840 -0.015 0.000 0.747 402 L CB -1.499 40.549 42.059 -0.018 0.000 0.896 402 L HN 0.482 nan 8.230 nan 0.000 0.432 403 G N -0.631 108.160 108.800 -0.015 0.000 2.446 403 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 403 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 403 G C 1.581 176.472 174.900 -0.015 0.000 1.168 403 G CA 1.374 46.466 45.100 -0.014 0.000 0.771 403 G HN 0.294 nan 8.290 nan 0.000 0.551 404 T N 1.396 115.939 114.554 -0.018 0.000 2.708 404 T HA -0.035 4.314 4.350 -0.000 0.000 0.266 404 T C 2.447 177.137 174.700 -0.017 0.000 1.037 404 T CA 0.961 63.050 62.100 -0.019 0.000 1.146 404 T CB -0.240 68.615 68.868 -0.022 0.000 0.865 404 T HN 0.143 nan 8.240 nan 0.000 0.435 405 L N 0.746 121.960 121.223 -0.015 0.000 2.042 405 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 405 L C 2.674 179.536 176.870 -0.013 0.000 1.076 405 L CA 0.986 55.819 54.840 -0.013 0.000 0.749 405 L CB -0.742 41.313 42.059 -0.007 0.000 0.893 405 L HN 0.145 nan 8.230 nan 0.000 0.432 406 V N -0.600 119.306 119.914 -0.013 0.000 2.332 406 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 406 V C 2.468 178.551 176.094 -0.018 0.000 1.055 406 V CA 1.760 64.052 62.300 -0.014 0.000 1.038 406 V CB -0.518 31.297 31.823 -0.014 0.000 0.651 406 V HN 0.504 nan 8.190 nan 0.000 0.450 407 Q N -0.543 119.247 119.800 -0.018 0.000 2.084 407 Q HA -0.147 4.192 4.340 -0.000 0.000 0.202 407 Q C 2.257 178.245 176.000 -0.020 0.000 0.978 407 Q CA 1.462 57.253 55.803 -0.019 0.000 0.844 407 Q CB -0.224 28.503 28.738 -0.018 0.000 0.898 407 Q HN 0.565 nan 8.270 nan 0.000 0.426 408 L N 0.526 121.736 121.223 -0.021 0.000 2.265 408 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 408 L C 2.092 178.949 176.870 -0.022 0.000 1.117 408 L CA 0.576 55.402 54.840 -0.024 0.000 0.782 408 L CB -0.471 41.571 42.059 -0.028 0.000 0.914 408 L HN 0.298 nan 8.230 nan 0.000 0.441 409 L N -0.122 121.090 121.223 -0.019 0.000 2.265 409 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 409 L C 2.366 179.226 176.870 -0.017 0.000 1.117 409 L CA 1.071 55.901 54.840 -0.016 0.000 0.782 409 L CB -0.728 41.321 42.059 -0.015 0.000 0.914 409 L HN 0.322 nan 8.230 nan 0.000 0.441 410 G N -1.329 107.459 108.800 -0.019 0.000 2.880 410 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.209 410 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.209 410 G C 0.808 175.697 174.900 -0.018 0.000 1.157 410 G CA 0.080 45.169 45.100 -0.019 0.000 0.779 410 G HN 0.261 nan 8.290 nan 0.000 0.539 411 S N 0.049 115.736 115.700 -0.021 0.000 2.566 411 S HA 0.023 4.493 4.470 -0.000 0.000 0.280 411 S C 0.889 175.478 174.600 -0.019 0.000 1.343 411 S CA -0.096 58.091 58.200 -0.023 0.000 1.036 411 S CB 0.648 63.830 63.200 -0.029 0.000 0.866 411 S HN 0.232 nan 8.310 nan 0.000 0.526 412 D N 0.768 121.156 120.400 -0.020 0.000 2.339 412 D HA 0.075 4.715 4.640 -0.000 0.000 0.217 412 D C -0.248 176.042 176.300 -0.017 0.000 1.050 412 D CA 0.247 54.238 54.000 -0.016 0.000 0.856 412 D CB 0.007 40.798 40.800 -0.015 0.000 0.922 412 D HN 0.558 nan 8.370 nan 0.000 0.518 413 D N 1.580 121.967 120.400 -0.023 0.000 2.365 413 D HA 0.028 4.668 4.640 -0.000 0.000 0.237 413 D C 1.460 177.748 176.300 -0.021 0.000 1.190 413 D CA -0.282 53.703 54.000 -0.026 0.000 0.867 413 D CB 0.793 41.567 40.800 -0.043 0.000 1.050 413 D HN 0.049 nan 8.370 nan 0.000 0.491 414 I N 4.109 124.674 120.570 -0.008 0.000 2.248 414 I HA -0.370 3.800 4.170 -0.000 0.000 0.248 414 I C 1.083 177.204 176.117 0.007 0.000 1.107 414 I CA 1.383 62.685 61.300 0.003 0.000 1.373 414 I CB 0.200 38.207 38.000 0.013 0.000 1.055 414 I HN 0.312 nan 8.210 nan 0.000 0.418 415 N N -0.317 118.384 118.700 0.003 0.000 2.270 415 N HA -0.123 4.617 4.740 -0.000 0.000 0.181 415 N C 1.676 177.157 175.510 -0.048 0.000 1.016 415 N CA 1.233 54.287 53.050 0.006 0.000 0.870 415 N CB -0.053 38.437 38.487 0.005 0.000 0.979 415 N HN 0.196 nan 8.380 nan 0.000 0.431 416 V N -0.018 119.855 119.914 -0.069 0.000 2.307 416 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 416 V C 2.122 178.189 176.094 -0.044 0.000 1.045 416 V CA 1.203 63.454 62.300 -0.081 0.000 1.024 416 V CB -0.422 31.356 31.823 -0.075 0.000 0.651 416 V HN 0.123 nan 8.190 nan 0.000 0.449 417 V N -0.139 119.761 119.914 -0.025 0.000 2.295 417 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 417 V C 2.578 178.673 176.094 0.001 0.000 1.049 417 V CA 2.614 64.906 62.300 -0.012 0.000 1.024 417 V CB -1.100 30.719 31.823 -0.007 0.000 0.648 417 V HN 0.605 nan 8.190 nan 0.000 0.447 418 T N -0.915 113.646 114.554 0.012 0.000 2.684 418 T HA -0.254 4.095 4.350 -0.000 0.000 0.267 418 T C 1.975 176.698 174.700 0.038 0.000 1.036 418 T CA 2.063 64.181 62.100 0.030 0.000 1.148 418 T CB -0.553 68.345 68.868 0.050 0.000 0.863 418 T HN 0.530 nan 8.240 nan 0.000 0.436 419 C N 1.520 120.841 119.300 0.035 0.000 2.429 419 C HA 0.092 4.552 4.460 -0.000 0.000 0.277 419 C C 3.248 178.252 174.990 0.024 0.000 1.262 419 C CA 0.312 59.356 59.018 0.044 0.000 1.733 419 C CB -1.456 26.286 27.740 0.003 0.000 2.010 419 C HN 0.668 nan 8.230 nan 0.000 0.483 420 A N 0.493 123.314 122.820 0.002 0.000 1.902 420 A HA 0.025 4.344 4.320 -0.000 0.000 0.217 420 A C 2.345 179.934 177.584 0.008 0.000 1.181 420 A CA 2.162 54.199 52.037 0.000 0.000 0.623 420 A CB -0.847 18.146 19.000 -0.011 0.000 0.818 420 A HN 0.582 nan 8.150 nan 0.000 0.443 421 A N -0.507 122.319 122.820 0.010 0.000 1.873 421 A HA 0.158 4.478 4.320 -0.000 0.000 0.215 421 A C 2.443 180.037 177.584 0.016 0.000 1.186 421 A CA 1.875 53.917 52.037 0.009 0.000 0.616 421 A CB -1.433 17.572 19.000 0.008 0.000 0.823 421 A HN 0.731 nan 8.150 nan 0.000 0.442 422 G N 0.126 108.943 108.800 0.028 0.000 2.446 422 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.217 422 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.217 422 G C 1.526 176.452 174.900 0.043 0.000 1.168 422 G CA 1.218 46.342 45.100 0.039 0.000 0.771 422 G HN 0.482 nan 8.290 nan 0.000 0.551 423 I N 0.246 120.841 120.570 0.041 0.000 2.252 423 I HA -0.105 4.065 4.170 -0.000 0.000 0.245 423 I C 2.713 178.852 176.117 0.036 0.000 1.102 423 I CA 0.604 61.927 61.300 0.039 0.000 1.385 423 I CB -0.212 37.808 38.000 0.033 0.000 1.064 423 I HN 0.115 nan 8.210 nan 0.000 0.414 424 L N -0.226 121.014 121.223 0.028 0.000 2.083 424 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 424 L C 2.761 179.663 176.870 0.054 0.000 1.083 424 L CA 1.337 56.195 54.840 0.029 0.000 0.752 424 L CB -0.514 41.554 42.059 0.015 0.000 0.899 424 L HN 0.258 nan 8.230 nan 0.000 0.433 425 S N 0.108 115.836 115.700 0.046 0.000 2.356 425 S HA -0.181 4.289 4.470 -0.000 0.000 0.223 425 S C 1.819 176.532 174.600 0.189 0.000 1.032 425 S CA 1.705 59.942 58.200 0.061 0.000 1.005 425 S CB -0.159 63.038 63.200 -0.005 0.000 0.867 425 S HN 0.435 nan 8.310 nan 0.000 0.449 426 N N 1.299 120.071 118.700 0.120 0.000 2.216 426 N HA 0.087 4.826 4.740 -0.000 0.000 0.183 426 N C 1.625 177.178 175.510 0.072 0.000 1.017 426 N CA 0.952 54.064 53.050 0.105 0.000 0.861 426 N CB -0.511 38.016 38.487 0.066 0.000 0.986 426 N HN 0.413 nan 8.380 nan 0.000 0.428 427 L N 0.501 121.758 121.223 0.056 0.000 2.376 427 L HA -0.012 4.328 4.340 -0.000 0.000 0.219 427 L C 1.564 178.442 176.870 0.014 0.000 1.133 427 L CA 1.045 55.898 54.840 0.022 0.000 0.816 427 L CB -0.522 41.543 42.059 0.011 0.000 0.933 427 L HN 0.281 nan 8.230 nan 0.000 0.449 428 T N -4.689 109.906 114.554 0.070 0.000 3.060 428 T HA 0.002 4.352 4.350 -0.000 0.000 0.249 428 T C 0.844 175.533 174.700 -0.019 0.000 1.079 428 T CA -0.365 61.772 62.100 0.061 0.000 1.013 428 T CB -0.580 68.373 68.868 0.141 0.000 0.975 428 T HN 0.238 nan 8.240 nan 0.000 0.518 429 C N 3.810 123.064 119.300 -0.078 0.000 2.663 429 C HA 0.249 4.709 4.460 -0.000 0.000 0.398 429 C C 0.897 175.764 174.990 -0.205 0.000 1.356 429 C CA -0.446 58.350 59.018 -0.370 0.000 1.629 429 C CB -2.225 25.413 27.740 -0.170 0.000 2.402 429 C HN 0.706 nan 8.230 nan 0.000 0.598 430 N N 3.224 121.799 118.700 -0.209 0.000 2.721 430 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 430 N C -0.662 174.826 175.510 -0.037 0.000 1.072 430 N CA 1.231 54.232 53.050 -0.080 0.000 0.710 430 N CB -1.211 37.240 38.487 -0.059 0.000 0.993 430 N HN 0.917 nan 8.380 nan 0.000 0.547 431 N N 0.344 119.012 118.700 -0.054 0.000 2.617 431 N HA 0.073 4.813 4.740 -0.000 0.000 0.263 431 N C 0.954 176.405 175.510 -0.099 0.000 1.074 431 N CA -0.482 52.511 53.050 -0.095 0.000 0.841 431 N CB 0.418 38.836 38.487 -0.115 0.000 1.221 431 N HN 0.199 nan 8.380 nan 0.000 0.529 432 Y N 2.964 123.238 120.300 -0.042 0.000 2.274 432 Y HA 0.042 4.592 4.550 -0.000 0.000 0.290 432 Y C 1.544 177.401 175.900 -0.072 0.000 1.145 432 Y CA 1.158 59.229 58.100 -0.049 0.000 1.203 432 Y CB -0.081 38.396 38.460 0.029 0.000 0.984 432 Y HN 0.247 nan 8.280 nan 0.000 0.533 433 K N 0.399 120.458 120.400 -0.569 0.000 2.057 433 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 433 K C 1.695 178.196 176.600 -0.165 0.000 1.050 433 K CA 1.431 57.520 56.287 -0.330 0.000 0.935 433 K CB -0.212 32.035 32.500 -0.422 0.000 0.715 433 K HN 0.318 nan 8.250 nan 0.000 0.439 434 N N 1.191 119.789 118.700 -0.170 0.000 2.188 434 N HA -0.114 4.625 4.740 -0.000 0.000 0.184 434 N C 1.413 176.856 175.510 -0.111 0.000 1.018 434 N CA 1.123 54.108 53.050 -0.109 0.000 0.858 434 N CB -0.020 38.414 38.487 -0.087 0.000 0.989 434 N HN 0.188 nan 8.380 nan 0.000 0.426 435 K N 0.166 120.463 120.400 -0.172 0.000 2.026 435 K HA 0.001 4.321 4.320 -0.000 0.000 0.208 435 K C 1.958 178.373 176.600 -0.308 0.000 1.048 435 K CA 0.905 57.005 56.287 -0.311 0.000 0.929 435 K CB -0.073 32.068 32.500 -0.599 0.000 0.713 435 K HN 0.101 nan 8.250 nan 0.000 0.439 436 M N 0.389 119.870 119.600 -0.199 0.000 2.080 436 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 436 M C 2.264 178.570 176.300 0.010 0.000 1.068 436 M CA 1.802 57.101 55.300 -0.001 0.000 1.109 436 M CB -0.698 31.961 32.600 0.098 0.000 1.342 436 M HN 0.249 nan 8.290 nan 0.000 0.405 437 M N -0.819 118.770 119.600 -0.018 0.000 2.132 437 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 437 M C 2.185 178.482 176.300 -0.005 0.000 1.065 437 M CA 1.098 56.394 55.300 -0.008 0.000 1.122 437 M CB -0.529 32.058 32.600 -0.022 0.000 1.365 437 M HN 0.045 nan 8.290 nan 0.000 0.411 438 V N -0.258 119.645 119.914 -0.018 0.000 2.343 438 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 438 V C 2.353 178.456 176.094 0.014 0.000 1.051 438 V CA 1.645 63.941 62.300 -0.007 0.000 1.036 438 V CB -0.694 31.122 31.823 -0.011 0.000 0.654 438 V HN 0.591 nan 8.190 nan 0.000 0.451 439 C N -0.778 118.541 119.300 0.032 0.000 2.440 439 C HA -0.163 4.297 4.460 -0.000 0.000 0.278 439 C C 2.792 177.817 174.990 0.059 0.000 1.295 439 C CA 1.168 60.228 59.018 0.070 0.000 1.738 439 C CB -0.956 26.868 27.740 0.141 0.000 1.987 439 C HN 0.642 nan 8.230 nan 0.000 0.492 440 Q N 0.921 120.750 119.800 0.049 0.000 2.096 440 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 440 Q C 1.773 177.790 176.000 0.028 0.000 0.982 440 Q CA 2.041 57.868 55.803 0.041 0.000 0.850 440 Q CB 0.015 28.774 28.738 0.034 0.000 0.901 440 Q HN 0.667 nan 8.270 nan 0.000 0.422 441 V N -2.873 117.051 119.914 0.017 0.000 3.415 441 V HA 0.418 4.538 4.120 -0.000 0.000 0.325 441 V C 0.763 176.859 176.094 0.002 0.000 1.313 441 V CA 0.530 62.835 62.300 0.008 0.000 1.228 441 V CB -0.427 31.396 31.823 0.000 0.000 1.131 441 V HN 0.422 nan 8.190 nan 0.000 0.433 442 G N -0.309 108.496 108.800 0.008 0.000 2.147 442 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 442 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 442 G C 0.931 175.813 174.900 -0.029 0.000 1.005 442 G CA 0.262 45.355 45.100 -0.011 0.000 0.713 442 G HN 1.179 nan 8.290 nan 0.000 0.515 443 G N 0.284 109.081 108.800 -0.006 0.000 2.442 443 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.219 443 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.219 443 G C 1.736 176.630 174.900 -0.009 0.000 1.141 443 G CA 1.411 46.507 45.100 -0.007 0.000 0.763 443 G HN 0.491 nan 8.290 nan 0.000 0.554 444 I N 0.950 121.526 120.570 0.009 0.000 2.142 444 I HA -0.138 4.032 4.170 -0.000 0.000 0.240 444 I C 2.514 178.607 176.117 -0.039 0.000 1.078 444 I CA 1.443 62.759 61.300 0.026 0.000 1.343 444 I CB -1.155 36.900 38.000 0.093 0.000 1.046 444 I HN 0.361 nan 8.210 nan 0.000 0.405 445 E N 0.960 121.044 120.200 -0.194 0.000 2.051 445 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 445 E C 2.293 178.784 176.600 -0.181 0.000 0.991 445 E CA 1.517 57.660 56.400 -0.428 0.000 0.799 445 E CB 0.058 29.266 29.700 -0.820 0.000 0.748 445 E HN 0.428 nan 8.360 nan 0.000 0.449 446 A N 0.952 123.699 122.820 -0.121 0.000 1.908 446 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 446 A C 2.201 179.763 177.584 -0.036 0.000 1.181 446 A CA 1.241 53.239 52.037 -0.065 0.000 0.627 446 A CB -0.638 18.334 19.000 -0.047 0.000 0.818 446 A HN 0.304 nan 8.150 nan 0.000 0.445 447 L N -0.861 120.347 121.223 -0.025 0.000 2.093 447 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 447 L C 2.529 179.403 176.870 0.007 0.000 1.085 447 L CA 0.807 55.644 54.840 -0.005 0.000 0.755 447 L CB -0.428 41.633 42.059 0.003 0.000 0.904 447 L HN 0.243 nan 8.230 nan 0.000 0.435 448 V N -0.102 119.820 119.914 0.013 0.000 2.295 448 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 448 V C 2.622 178.736 176.094 0.034 0.000 1.049 448 V CA 1.766 64.091 62.300 0.041 0.000 1.024 448 V CB -0.564 31.308 31.823 0.082 0.000 0.648 448 V HN 0.405 nan 8.190 nan 0.000 0.447 449 R N -0.388 120.119 120.500 0.013 0.000 2.091 449 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 449 R C 2.387 178.691 176.300 0.007 0.000 1.136 449 R CA 1.987 58.092 56.100 0.009 0.000 0.959 449 R CB -0.779 29.514 30.300 -0.012 0.000 0.856 449 R HN 0.496 nan 8.270 nan 0.000 0.437 450 T N 0.607 115.162 114.554 0.002 0.000 2.720 450 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 450 T C 1.955 176.661 174.700 0.011 0.000 1.037 450 T CA 1.360 63.462 62.100 0.003 0.000 1.144 450 T CB -0.131 68.737 68.868 -0.000 0.000 0.864 450 T HN 0.011 nan 8.240 nan 0.000 0.444 451 V N 1.284 121.208 119.914 0.017 0.000 2.427 451 V HA -0.085 4.034 4.120 -0.000 0.000 0.248 451 V C 2.452 178.561 176.094 0.025 0.000 1.051 451 V CA 1.304 63.617 62.300 0.023 0.000 1.048 451 V CB -0.656 31.185 31.823 0.030 0.000 0.666 451 V HN 0.421 nan 8.190 nan 0.000 0.456 452 L N -0.509 120.730 121.223 0.028 0.000 2.017 452 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 452 L C 2.797 179.676 176.870 0.016 0.000 1.073 452 L CA 1.839 56.695 54.840 0.026 0.000 0.745 452 L CB -0.555 41.522 42.059 0.029 0.000 0.894 452 L HN 0.207 nan 8.230 nan 0.000 0.432 453 R N -0.388 120.118 120.500 0.011 0.000 2.115 453 R HA -0.106 4.234 4.340 -0.000 0.000 0.230 453 R C 2.359 178.663 176.300 0.008 0.000 1.111 453 R CA 1.156 57.259 56.100 0.006 0.000 0.976 453 R CB -0.425 29.875 30.300 0.002 0.000 0.870 453 R HN 0.361 nan 8.270 nan 0.000 0.445 454 A N 0.710 123.537 122.820 0.011 0.000 1.969 454 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 454 A C 1.559 179.152 177.584 0.015 0.000 1.169 454 A CA 1.373 53.417 52.037 0.013 0.000 0.635 454 A CB -0.734 18.275 19.000 0.015 0.000 0.810 454 A HN 0.486 nan 8.150 nan 0.000 0.445 455 G N 0.481 109.291 108.800 0.016 0.000 2.629 455 G HA2 -0.477 3.483 3.960 -0.000 0.000 0.313 455 G HA3 -0.477 3.483 3.960 -0.000 0.000 0.313 455 G C 0.424 175.337 174.900 0.022 0.000 1.217 455 G CA 1.220 46.331 45.100 0.017 0.000 0.994 455 G HN 0.980 nan 8.290 nan 0.000 0.549 456 D N 0.830 121.243 120.400 0.022 0.000 2.340 456 D HA 0.155 4.794 4.640 -0.000 0.000 0.220 456 D C 1.266 177.583 176.300 0.028 0.000 1.039 456 D CA 0.197 54.215 54.000 0.029 0.000 0.866 456 D CB -0.115 40.703 40.800 0.030 0.000 0.913 456 D HN 0.578 nan 8.370 nan 0.000 0.523 457 R N 1.304 121.816 120.500 0.021 0.000 2.387 457 R HA 0.108 4.448 4.340 -0.000 0.000 0.321 457 R C 0.330 176.639 176.300 0.015 0.000 1.174 457 R CA 0.057 56.166 56.100 0.015 0.000 1.002 457 R CB 0.229 30.537 30.300 0.014 0.000 1.028 457 R HN 0.358 nan 8.270 nan 0.000 0.482 458 E N 1.248 121.454 120.200 0.009 0.000 2.338 458 E HA -0.154 4.196 4.350 -0.000 0.000 0.197 458 E C 0.508 177.111 176.600 0.005 0.000 1.007 458 E CA 0.601 57.006 56.400 0.008 0.000 0.849 458 E CB 0.235 29.933 29.700 -0.004 0.000 0.774 458 E HN 0.503 nan 8.360 nan 0.000 0.506 459 D N 0.374 120.776 120.400 0.003 0.000 2.264 459 D HA -0.079 4.560 4.640 -0.000 0.000 0.208 459 D C 1.731 178.042 176.300 0.019 0.000 0.966 459 D CA 0.848 54.855 54.000 0.012 0.000 0.864 459 D CB 0.202 41.013 40.800 0.018 0.000 0.933 459 D HN 0.292 nan 8.370 nan 0.000 0.499 460 I N 0.362 120.943 120.570 0.017 0.000 2.947 460 I HA -0.133 4.037 4.170 -0.000 0.000 0.263 460 I C 2.505 178.631 176.117 0.014 0.000 1.130 460 I CA 0.861 62.171 61.300 0.016 0.000 1.448 460 I CB -0.258 37.751 38.000 0.015 0.000 1.222 460 I HN -0.043 nan 8.210 nan 0.000 0.453 461 T N -1.371 113.193 114.554 0.017 0.000 2.788 461 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 461 T C 1.660 176.370 174.700 0.018 0.000 1.044 461 T CA 1.447 63.558 62.100 0.019 0.000 1.139 461 T CB -0.381 68.504 68.868 0.027 0.000 0.867 461 T HN 0.349 nan 8.240 nan 0.000 0.454 462 E N 2.050 122.262 120.200 0.020 0.000 2.017 462 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 462 E C -0.281 176.320 176.600 0.003 0.000 0.997 462 E CA 1.366 57.779 56.400 0.021 0.000 0.804 462 E CB -0.591 29.127 29.700 0.028 0.000 0.757 462 E HN 0.449 nan 8.360 nan 0.000 0.448 463 P HA -0.134 nan 4.420 nan 0.000 0.217 463 P C 1.064 178.343 177.300 -0.035 0.000 1.150 463 P CA 1.794 64.886 63.100 -0.013 0.000 0.832 463 P CB -0.025 31.680 31.700 0.007 0.000 0.787 464 A N 0.316 123.126 122.820 -0.017 0.000 1.898 464 A HA -0.126 4.193 4.320 -0.000 0.000 0.216 464 A C 2.300 179.866 177.584 -0.030 0.000 1.181 464 A CA 1.295 53.321 52.037 -0.019 0.000 0.620 464 A CB -1.306 17.693 19.000 -0.002 0.000 0.819 464 A HN 0.031 nan 8.150 nan 0.000 0.442 465 I N -0.170 120.388 120.570 -0.021 0.000 2.315 465 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 465 I C 2.551 178.628 176.117 -0.067 0.000 1.117 465 I CA 0.956 62.246 61.300 -0.018 0.000 1.404 465 I CB -1.566 36.440 38.000 0.009 0.000 1.071 465 I HN 0.362 nan 8.210 nan 0.000 0.419 466 C N 0.874 120.105 119.300 -0.115 0.000 2.429 466 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 466 C C 3.158 177.823 174.990 -0.542 0.000 1.262 466 C CA 0.907 59.758 59.018 -0.277 0.000 1.733 466 C CB -1.198 26.399 27.740 -0.237 0.000 2.010 466 C HN 0.590 nan 8.230 nan 0.000 0.483 467 A N 0.287 122.917 122.820 -0.316 0.000 1.902 467 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 467 A C 2.121 179.650 177.584 -0.092 0.000 1.181 467 A CA 1.475 53.387 52.037 -0.209 0.000 0.623 467 A CB -0.629 18.331 19.000 -0.068 0.000 0.818 467 A HN 0.609 nan 8.150 nan 0.000 0.443 468 L N -1.139 120.051 121.223 -0.055 0.000 2.046 468 L HA -0.191 4.148 4.340 -0.000 0.000 0.208 468 L C 2.828 179.722 176.870 0.039 0.000 1.077 468 L CA 1.746 56.593 54.840 0.012 0.000 0.747 468 L CB -0.458 41.612 42.059 0.019 0.000 0.896 468 L HN 0.478 nan 8.230 nan 0.000 0.432 469 R N -0.440 120.060 120.500 0.000 0.000 2.073 469 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 469 R C 2.259 178.665 176.300 0.176 0.000 1.134 469 R CA 1.796 57.937 56.100 0.067 0.000 0.952 469 R CB -0.336 29.993 30.300 0.049 0.000 0.850 469 R HN 0.505 nan 8.270 nan 0.000 0.433 470 H N -0.079 119.033 119.070 0.070 0.000 2.353 470 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 470 H C 2.140 177.529 175.328 0.102 0.000 1.090 470 H CA 1.374 57.465 56.048 0.072 0.000 1.327 470 H CB -0.016 29.773 29.762 0.044 0.000 1.383 470 H HN 0.202 nan 8.280 nan 0.000 0.508 471 L N 0.679 122.039 121.223 0.228 0.000 2.376 471 L HA -0.070 4.270 4.340 -0.000 0.000 0.219 471 L C 1.717 178.787 176.870 0.333 0.000 1.133 471 L CA 1.090 56.067 54.840 0.228 0.000 0.816 471 L CB -0.137 42.008 42.059 0.143 0.000 0.933 471 L HN 0.390 nan 8.230 nan 0.000 0.449 472 T N -4.905 109.776 114.554 0.212 0.000 3.223 472 T HA 0.188 4.538 4.350 -0.000 0.000 0.259 472 T C 0.366 175.132 174.700 0.110 0.000 1.015 472 T CA -0.249 61.933 62.100 0.137 0.000 0.908 472 T CB 0.262 69.184 68.868 0.090 0.000 1.054 472 T HN 0.089 nan 8.240 nan 0.000 0.567 473 S N 0.980 116.789 115.700 0.181 0.000 2.536 473 S HA 0.493 4.963 4.470 -0.000 0.000 0.271 473 S C -0.525 174.192 174.600 0.195 0.000 1.134 473 S CA -0.827 57.456 58.200 0.139 0.000 0.897 473 S CB 0.962 64.240 63.200 0.129 0.000 1.094 473 S HN 0.422 nan 8.310 nan 0.000 0.473 474 R N 2.773 123.333 120.500 0.100 0.000 3.251 474 R HA -0.156 4.184 4.340 -0.000 0.000 0.249 474 R C -0.244 176.167 176.300 0.184 0.000 0.949 474 R CA 1.567 57.727 56.100 0.100 0.000 0.645 474 R CB -2.421 27.935 30.300 0.093 0.000 1.065 474 R HN 0.878 nan 8.270 nan 0.000 0.452 475 H N -3.072 116.012 119.070 0.023 0.000 3.024 475 H HA 0.067 4.623 4.556 -0.000 0.000 0.324 475 H C 0.154 175.488 175.328 0.010 0.000 1.347 475 H CA -0.724 55.339 56.048 0.025 0.000 1.182 475 H CB 0.972 30.799 29.762 0.107 0.000 1.889 475 H HN 0.045 nan 8.280 nan 0.000 0.528 476 Q N -0.105 119.719 119.800 0.041 0.000 2.197 476 Q HA -0.174 4.166 4.340 -0.000 0.000 0.211 476 Q C 0.320 176.259 176.000 -0.102 0.000 0.993 476 Q CA 2.296 58.085 55.803 -0.024 0.000 0.883 476 Q CB 0.236 29.001 28.738 0.045 0.000 0.916 476 Q HN 0.539 nan 8.270 nan 0.000 0.418 477 E N -1.207 118.907 120.200 -0.143 0.000 2.451 477 E HA 0.136 4.485 4.350 -0.000 0.000 0.194 477 E C 0.938 177.281 176.600 -0.429 0.000 1.027 477 E CA 0.475 56.784 56.400 -0.151 0.000 0.914 477 E CB 0.585 30.374 29.700 0.149 0.000 1.054 477 E HN 0.414 nan 8.360 nan 0.000 0.461 478 A N 1.099 123.413 122.820 -0.844 0.000 1.902 478 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 478 A C 2.040 179.515 177.584 -0.180 0.000 1.181 478 A CA 1.265 52.991 52.037 -0.519 0.000 0.623 478 A CB -0.180 18.592 19.000 -0.380 0.000 0.818 478 A HN 0.190 nan 8.150 nan 0.000 0.443 479 E N -0.953 119.156 120.200 -0.152 0.000 2.077 479 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 479 E C 2.026 178.593 176.600 -0.055 0.000 0.989 479 E CA 1.307 57.656 56.400 -0.084 0.000 0.800 479 E CB -0.224 29.431 29.700 -0.076 0.000 0.746 479 E HN 0.446 nan 8.360 nan 0.000 0.452 480 M N 0.206 119.777 119.600 -0.047 0.000 2.175 480 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 480 M C 2.367 178.673 176.300 0.011 0.000 1.063 480 M CA 1.084 56.376 55.300 -0.014 0.000 1.119 480 M CB -1.065 31.538 32.600 0.004 0.000 1.377 480 M HN 0.097 nan 8.290 nan 0.000 0.415 481 A N -0.133 122.702 122.820 0.024 0.000 1.877 481 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 481 A C 2.125 179.737 177.584 0.047 0.000 1.186 481 A CA 1.656 53.733 52.037 0.067 0.000 0.620 481 A CB -0.728 18.340 19.000 0.115 0.000 0.822 481 A HN 0.566 nan 8.150 nan 0.000 0.443 482 Q N -0.376 119.434 119.800 0.016 0.000 2.096 482 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 482 Q C 2.054 178.049 176.000 -0.009 0.000 0.982 482 Q CA 1.583 57.390 55.803 0.007 0.000 0.850 482 Q CB -0.200 28.530 28.738 -0.013 0.000 0.901 482 Q HN 0.645 nan 8.270 nan 0.000 0.422 483 N N -0.070 118.616 118.700 -0.025 0.000 2.142 483 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 483 N C 1.711 177.189 175.510 -0.052 0.000 1.023 483 N CA 1.192 54.212 53.050 -0.049 0.000 0.852 483 N CB -0.117 38.336 38.487 -0.057 0.000 0.998 483 N HN 0.223 nan 8.380 nan 0.000 0.424 484 A N 1.022 123.837 122.820 -0.009 0.000 1.940 484 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 484 A C 2.513 180.143 177.584 0.076 0.000 1.176 484 A CA 1.308 53.361 52.037 0.027 0.000 0.631 484 A CB -0.835 18.257 19.000 0.154 0.000 0.814 484 A HN 0.122 nan 8.150 nan 0.000 0.446 485 V N -0.015 119.944 119.914 0.076 0.000 2.332 485 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 485 V C 2.674 178.784 176.094 0.027 0.000 1.055 485 V CA 2.458 64.808 62.300 0.082 0.000 1.038 485 V CB -0.795 31.064 31.823 0.060 0.000 0.651 485 V HN 0.699 nan 8.190 nan 0.000 0.450 486 R N -0.224 120.251 120.500 -0.041 0.000 2.062 486 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 486 R C 2.301 178.460 176.300 -0.234 0.000 1.128 486 R CA 1.358 57.393 56.100 -0.107 0.000 0.960 486 R CB -0.255 29.980 30.300 -0.109 0.000 0.855 486 R HN 0.446 nan 8.270 nan 0.000 0.432 487 L N 0.143 121.203 121.223 -0.272 0.000 2.187 487 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 487 L C 1.300 177.862 176.870 -0.513 0.000 1.100 487 L CA 0.939 55.518 54.840 -0.434 0.000 0.765 487 L CB -0.403 41.395 42.059 -0.436 0.000 0.904 487 L HN 0.343 nan 8.230 nan 0.000 0.437 488 H N -1.176 117.863 119.070 -0.052 0.000 2.568 488 H HA 0.098 4.654 4.556 -0.000 0.000 0.302 488 H C -0.292 175.208 175.328 0.287 0.000 1.065 488 H CA -0.407 55.729 56.048 0.147 0.000 1.140 488 H CB -0.169 29.658 29.762 0.109 0.000 1.474 488 H HN 0.237 nan 8.280 nan 0.000 0.545 489 Y N -0.471 119.866 120.300 0.062 0.000 3.389 489 Y HA -0.248 4.302 4.550 -0.000 0.000 0.213 489 Y C 1.765 177.697 175.900 0.052 0.000 1.272 489 Y CA 0.573 58.700 58.100 0.045 0.000 1.444 489 Y CB -1.828 36.656 38.460 0.040 0.000 1.445 489 Y HN 0.406 nan 8.280 nan 0.000 0.583 490 G N -0.794 108.086 108.800 0.134 0.000 2.662 490 G HA2 0.051 4.011 3.960 -0.000 0.000 0.212 490 G HA3 0.051 4.011 3.960 -0.000 0.000 0.212 490 G C 1.439 176.385 174.900 0.076 0.000 1.141 490 G CA 0.463 45.628 45.100 0.109 0.000 0.797 490 G HN 0.438 nan 8.290 nan 0.000 0.531 491 L N 0.810 122.064 121.223 0.052 0.000 2.013 491 L HA -0.098 4.241 4.340 -0.000 0.000 0.212 491 L C 0.085 176.989 176.870 0.056 0.000 1.073 491 L CA 1.533 56.400 54.840 0.044 0.000 0.753 491 L CB -1.386 40.686 42.059 0.022 0.000 0.890 491 L HN 0.155 nan 8.230 nan 0.000 0.432 492 P HA -0.181 nan 4.420 nan 0.000 0.215 492 P C 1.984 179.320 177.300 0.060 0.000 1.157 492 P CA 1.254 64.390 63.100 0.060 0.000 0.868 492 P CB 0.044 31.783 31.700 0.066 0.000 0.788 493 V N -0.564 119.389 119.914 0.064 0.000 2.427 493 V HA -0.171 3.948 4.120 -0.000 0.000 0.248 493 V C 2.162 178.295 176.094 0.064 0.000 1.051 493 V CA 1.634 63.969 62.300 0.058 0.000 1.048 493 V CB -0.900 30.956 31.823 0.056 0.000 0.666 493 V HN -0.117 nan 8.190 nan 0.000 0.456 494 V N -0.008 119.945 119.914 0.065 0.000 2.255 494 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 494 V C 2.494 178.634 176.094 0.076 0.000 1.051 494 V CA 2.404 64.743 62.300 0.065 0.000 1.018 494 V CB -0.540 31.319 31.823 0.060 0.000 0.641 494 V HN 0.468 nan 8.190 nan 0.000 0.445 495 V N -0.309 119.656 119.914 0.085 0.000 2.490 495 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 495 V C 2.387 178.589 176.094 0.180 0.000 1.061 495 V CA 2.155 64.524 62.300 0.114 0.000 1.064 495 V CB -0.730 31.159 31.823 0.111 0.000 0.670 495 V HN 0.553 nan 8.190 nan 0.000 0.461 496 K N 0.178 120.661 120.400 0.139 0.000 2.103 496 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 496 K C 1.965 178.683 176.600 0.196 0.000 1.048 496 K CA 1.428 57.802 56.287 0.144 0.000 0.930 496 K CB -0.218 32.314 32.500 0.053 0.000 0.716 496 K HN 0.421 nan 8.250 nan 0.000 0.444 497 L N 1.175 122.471 121.223 0.122 0.000 2.549 497 L HA -0.127 4.213 4.340 -0.000 0.000 0.230 497 L C 1.882 178.789 176.870 0.061 0.000 1.162 497 L CA 0.356 55.247 54.840 0.085 0.000 0.834 497 L CB -0.217 41.880 42.059 0.062 0.000 0.947 497 L HN 0.235 nan 8.230 nan 0.000 0.452 498 L N -1.434 119.826 121.223 0.061 0.000 2.395 498 L HA -0.053 4.287 4.340 -0.000 0.000 0.218 498 L C 0.562 177.292 176.870 -0.234 0.000 1.130 498 L CA 0.202 54.984 54.840 -0.096 0.000 0.826 498 L CB -0.351 41.599 42.059 -0.181 0.000 0.941 498 L HN 0.317 nan 8.230 nan 0.000 0.451 499 H N -1.626 117.418 119.070 -0.044 0.000 2.544 499 H HA 0.338 4.894 4.556 -0.000 0.000 0.342 499 H C -2.171 173.099 175.328 -0.096 0.000 1.185 499 H CA -2.233 53.774 56.048 -0.068 0.000 1.264 499 H CB 0.032 29.769 29.762 -0.041 0.000 1.607 499 H HN -0.230 nan 8.280 nan 0.000 0.550 500 P HA -0.033 nan 4.420 nan 0.000 0.269 500 P C -1.635 175.656 177.300 -0.015 0.000 1.217 500 P CA -0.845 62.214 63.100 -0.069 0.000 0.783 500 P CB 0.320 31.971 31.700 -0.083 0.000 0.898 501 P HA 0.018 nan 4.420 nan 0.000 0.249 501 P C -0.369 176.890 177.300 -0.068 0.000 1.241 501 P CA 0.343 63.408 63.100 -0.059 0.000 0.781 501 P CB 0.170 31.872 31.700 0.003 0.000 1.088 502 S N 0.713 116.387 115.700 -0.043 0.000 2.558 502 S HA -0.006 4.464 4.470 -0.000 0.000 0.293 502 S C 0.323 174.844 174.600 -0.131 0.000 1.292 502 S CA 0.275 58.469 58.200 -0.010 0.000 1.063 502 S CB -0.182 63.004 63.200 -0.024 0.000 0.831 502 S HN 0.331 nan 8.310 nan 0.000 0.499 503 H N 0.179 119.185 119.070 -0.106 0.000 2.499 503 H HA 0.252 4.808 4.556 -0.000 0.000 0.352 503 H C 0.603 175.888 175.328 -0.072 0.000 1.237 503 H CA -0.733 55.239 56.048 -0.127 0.000 1.343 503 H CB 0.320 30.073 29.762 -0.015 0.000 1.578 503 H HN 0.784 nan 8.280 nan 0.000 0.577 504 W N 0.879 122.261 121.300 0.137 0.000 2.302 504 W HA -0.159 4.501 4.660 -0.000 0.000 0.320 504 W C -0.644 175.933 176.519 0.097 0.000 1.241 504 W CA 0.990 58.392 57.345 0.095 0.000 1.264 504 W CB -1.446 28.070 29.460 0.092 0.000 1.154 504 W HN 0.619 nan 8.180 nan 0.000 0.483 505 P HA -0.232 nan 4.420 nan 0.000 0.216 505 P C 1.666 179.073 177.300 0.177 0.000 1.153 505 P CA 1.482 64.716 63.100 0.224 0.000 0.858 505 P CB -0.296 31.499 31.700 0.160 0.000 0.789 506 L N -1.117 120.201 121.223 0.158 0.000 2.093 506 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 506 L C 2.022 178.960 176.870 0.113 0.000 1.085 506 L CA 1.784 56.690 54.840 0.110 0.000 0.755 506 L CB -1.137 40.975 42.059 0.089 0.000 0.904 506 L HN -0.142 nan 8.230 nan 0.000 0.435 507 I N -0.004 120.649 120.570 0.139 0.000 2.226 507 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 507 I C 2.485 178.714 176.117 0.186 0.000 1.100 507 I CA 1.437 62.820 61.300 0.139 0.000 1.374 507 I CB -1.213 36.884 38.000 0.161 0.000 1.057 507 I HN 0.432 nan 8.210 nan 0.000 0.413 508 K N 1.198 121.739 120.400 0.236 0.000 2.032 508 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 508 K C 2.193 178.870 176.600 0.129 0.000 1.048 508 K CA 1.763 58.160 56.287 0.184 0.000 0.927 508 K CB -0.015 32.590 32.500 0.176 0.000 0.712 508 K HN 0.253 nan 8.250 nan 0.000 0.441 509 A N 0.329 123.217 122.820 0.113 0.000 1.930 509 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 509 A C 2.136 179.763 177.584 0.071 0.000 1.175 509 A CA 2.009 54.095 52.037 0.081 0.000 0.627 509 A CB -0.846 18.189 19.000 0.058 0.000 0.815 509 A HN 0.432 nan 8.150 nan 0.000 0.443 510 T N -0.363 114.236 114.554 0.075 0.000 2.788 510 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 510 T C 1.851 176.592 174.700 0.068 0.000 1.044 510 T CA 1.531 63.669 62.100 0.065 0.000 1.139 510 T CB -0.346 68.559 68.868 0.061 0.000 0.867 510 T HN 0.150 nan 8.240 nan 0.000 0.454 511 V N 1.386 121.348 119.914 0.081 0.000 2.427 511 V HA -0.078 4.042 4.120 -0.000 0.000 0.248 511 V C 2.850 178.989 176.094 0.075 0.000 1.051 511 V CA 1.922 64.269 62.300 0.079 0.000 1.048 511 V CB -1.259 30.620 31.823 0.094 0.000 0.666 511 V HN 0.591 nan 8.190 nan 0.000 0.456 512 G N -0.204 108.644 108.800 0.080 0.000 2.422 512 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 512 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 512 G C 1.565 176.509 174.900 0.074 0.000 1.146 512 G CA 1.092 46.240 45.100 0.080 0.000 0.769 512 G HN 0.452 nan 8.290 nan 0.000 0.547 513 L N 0.749 122.012 121.223 0.067 0.000 2.027 513 L HA 0.150 4.490 4.340 -0.000 0.000 0.206 513 L C 2.624 179.529 176.870 0.059 0.000 1.074 513 L CA 1.272 56.148 54.840 0.061 0.000 0.745 513 L CB -0.460 41.629 42.059 0.051 0.000 0.898 513 L HN 0.244 nan 8.230 nan 0.000 0.433 514 I N -0.374 120.231 120.570 0.059 0.000 2.264 514 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 514 I C 2.744 178.895 176.117 0.056 0.000 1.111 514 I CA 1.356 62.691 61.300 0.058 0.000 1.382 514 I CB -0.506 37.529 38.000 0.058 0.000 1.060 514 I HN 0.373 nan 8.210 nan 0.000 0.418 515 R N 1.310 121.843 120.500 0.055 0.000 2.091 515 R HA -0.202 4.137 4.340 -0.000 0.000 0.238 515 R C 1.888 178.215 176.300 0.044 0.000 1.136 515 R CA 1.912 58.040 56.100 0.047 0.000 0.959 515 R CB -0.312 30.019 30.300 0.052 0.000 0.856 515 R HN 0.376 nan 8.270 nan 0.000 0.437 516 N N 0.858 119.589 118.700 0.052 0.000 2.171 516 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 516 N C 1.935 177.469 175.510 0.041 0.000 1.021 516 N CA 0.996 54.075 53.050 0.048 0.000 0.854 516 N CB -0.274 38.250 38.487 0.063 0.000 0.994 516 N HN 0.251 nan 8.380 nan 0.000 0.426 517 L N 0.504 121.754 121.223 0.046 0.000 2.131 517 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 517 L C 2.100 178.998 176.870 0.048 0.000 1.092 517 L CA 0.889 55.753 54.840 0.039 0.000 0.759 517 L CB -0.470 41.615 42.059 0.043 0.000 0.903 517 L HN 0.102 nan 8.230 nan 0.000 0.435 518 A N -0.185 122.681 122.820 0.076 0.000 2.172 518 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 518 A C 2.150 179.836 177.584 0.170 0.000 1.154 518 A CA 0.773 52.899 52.037 0.149 0.000 0.701 518 A CB -0.501 18.561 19.000 0.104 0.000 0.789 518 A HN 0.395 nan 8.150 nan 0.000 0.465 519 L N -1.091 120.174 121.223 0.070 0.000 2.376 519 L HA -0.051 4.289 4.340 -0.000 0.000 0.219 519 L C 1.224 178.086 176.870 -0.013 0.000 1.133 519 L CA 0.023 54.887 54.840 0.041 0.000 0.816 519 L CB -0.310 41.753 42.059 0.007 0.000 0.933 519 L HN 0.526 nan 8.230 nan 0.000 0.449 520 C N 1.361 120.625 119.300 -0.060 0.000 2.246 520 C HA 0.298 4.757 4.460 -0.000 0.000 0.329 520 C C -0.714 174.055 174.990 -0.369 0.000 1.221 520 C CA -1.899 57.032 59.018 -0.147 0.000 1.697 520 C CB 0.428 28.109 27.740 -0.098 0.000 2.312 520 C HN 0.112 nan 8.230 nan 0.000 0.509 521 P HA -0.132 nan 4.420 nan 0.000 0.217 521 P C 1.362 178.338 177.300 -0.539 0.000 1.148 521 P CA 2.105 64.701 63.100 -0.840 0.000 0.834 521 P CB 0.089 31.590 31.700 -0.333 0.000 0.783 522 A N -1.097 121.555 122.820 -0.280 0.000 2.216 522 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 522 A C 1.779 179.288 177.584 -0.126 0.000 1.160 522 A CA 1.253 53.195 52.037 -0.160 0.000 0.725 522 A CB -0.925 18.004 19.000 -0.118 0.000 0.784 522 A HN 0.144 nan 8.150 nan 0.000 0.472 523 N N -1.096 117.514 118.700 -0.150 0.000 2.254 523 N HA 0.067 4.807 4.740 -0.000 0.000 0.190 523 N C 1.032 176.580 175.510 0.064 0.000 1.107 523 N CA 0.279 53.304 53.050 -0.042 0.000 0.869 523 N CB -0.327 38.150 38.487 -0.018 0.000 0.983 523 N HN 0.734 nan 8.380 nan 0.000 0.487 524 H N 0.593 119.660 119.070 -0.005 0.000 2.293 524 H HA -0.034 4.522 4.556 -0.000 0.000 0.300 524 H C 1.929 177.263 175.328 0.009 0.000 1.082 524 H CA 1.418 57.470 56.048 0.007 0.000 1.308 524 H CB 0.321 30.092 29.762 0.016 0.000 1.375 524 H HN 0.206 nan 8.280 nan 0.000 0.495 525 A N 1.441 124.338 122.820 0.128 0.000 1.855 525 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 525 A C -0.109 177.494 177.584 0.030 0.000 1.191 525 A CA 1.300 53.368 52.037 0.051 0.000 0.613 525 A CB -1.267 17.735 19.000 0.003 0.000 0.829 525 A HN 0.347 nan 8.150 nan 0.000 0.442 526 P HA -0.137 nan 4.420 nan 0.000 0.217 526 P C 1.585 178.902 177.300 0.030 0.000 1.150 526 P CA 0.948 64.055 63.100 0.012 0.000 0.832 526 P CB -0.178 31.517 31.700 -0.009 0.000 0.787 527 L N -0.597 120.654 121.223 0.047 0.000 2.093 527 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 527 L C 3.173 180.076 176.870 0.054 0.000 1.085 527 L CA 1.296 56.169 54.840 0.056 0.000 0.755 527 L CB -0.635 41.467 42.059 0.072 0.000 0.904 527 L HN -0.081 nan 8.230 nan 0.000 0.435 528 R N 0.733 121.265 120.500 0.053 0.000 2.066 528 R HA -0.180 4.159 4.340 -0.000 0.000 0.232 528 R C 1.878 178.201 176.300 0.039 0.000 1.131 528 R CA 1.608 57.736 56.100 0.047 0.000 0.955 528 R CB -0.101 30.228 30.300 0.047 0.000 0.851 528 R HN 0.376 nan 8.270 nan 0.000 0.432 529 E N -0.066 120.152 120.200 0.029 0.000 2.472 529 E HA -0.134 4.216 4.350 -0.000 0.000 0.200 529 E C 1.338 177.954 176.600 0.027 0.000 1.046 529 E CA 0.356 56.768 56.400 0.021 0.000 0.871 529 E CB 0.229 29.934 29.700 0.008 0.000 0.806 529 E HN 0.334 nan 8.360 nan 0.000 0.533 530 Q N -0.696 119.127 119.800 0.038 0.000 2.319 530 Q HA 0.092 4.432 4.340 -0.000 0.000 0.202 530 Q C 0.992 177.029 176.000 0.061 0.000 0.896 530 Q CA 0.539 56.369 55.803 0.045 0.000 0.942 530 Q CB 1.305 30.075 28.738 0.053 0.000 1.083 530 Q HN 0.388 nan 8.270 nan 0.000 0.510 531 G N 0.681 109.518 108.800 0.061 0.000 2.147 531 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.244 531 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.244 531 G C 0.970 175.929 174.900 0.098 0.000 1.005 531 G CA 0.613 45.759 45.100 0.077 0.000 0.713 531 G HN 0.452 nan 8.290 nan 0.000 0.515 532 A N -0.118 122.752 122.820 0.084 0.000 1.902 532 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 532 A C 2.400 180.018 177.584 0.058 0.000 1.181 532 A CA 1.844 53.926 52.037 0.075 0.000 0.623 532 A CB -0.311 18.728 19.000 0.066 0.000 0.818 532 A HN 0.821 nan 8.150 nan 0.000 0.443 533 I N -0.120 120.484 120.570 0.056 0.000 2.127 533 I HA -0.190 3.980 4.170 -0.000 0.000 0.241 533 I C -0.526 175.621 176.117 0.050 0.000 1.075 533 I CA 1.566 62.898 61.300 0.053 0.000 1.334 533 I CB -1.356 36.674 38.000 0.051 0.000 1.040 533 I HN 0.205 nan 8.210 nan 0.000 0.405 534 P HA -0.167 nan 4.420 nan 0.000 0.216 534 P C 1.525 178.846 177.300 0.035 0.000 1.153 534 P CA 1.250 64.376 63.100 0.043 0.000 0.848 534 P CB -0.029 31.701 31.700 0.049 0.000 0.787 535 R N 0.120 120.640 120.500 0.034 0.000 2.081 535 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 535 R C 2.159 178.446 176.300 -0.023 0.000 1.131 535 R CA 1.518 57.601 56.100 -0.028 0.000 0.960 535 R CB -1.664 28.557 30.300 -0.132 0.000 0.856 535 R HN 0.129 nan 8.270 nan 0.000 0.436 536 L N -0.427 120.801 121.223 0.009 0.000 2.083 536 L HA -0.159 4.180 4.340 -0.000 0.000 0.209 536 L C 2.256 179.156 176.870 0.049 0.000 1.083 536 L CA 1.133 55.995 54.840 0.036 0.000 0.752 536 L CB -0.418 41.673 42.059 0.054 0.000 0.899 536 L HN 0.055 nan 8.230 nan 0.000 0.433 537 V N -0.436 119.502 119.914 0.041 0.000 2.358 537 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 537 V C 2.436 178.539 176.094 0.016 0.000 1.047 537 V CA 1.900 64.215 62.300 0.025 0.000 1.035 537 V CB -0.502 31.326 31.823 0.009 0.000 0.658 537 V HN 0.530 nan 8.190 nan 0.000 0.452 538 Q N -0.202 119.610 119.800 0.019 0.000 2.061 538 Q HA -0.221 4.118 4.340 -0.000 0.000 0.204 538 Q C 2.282 178.312 176.000 0.051 0.000 0.984 538 Q CA 2.002 57.820 55.803 0.025 0.000 0.846 538 Q CB -0.209 28.540 28.738 0.018 0.000 0.902 538 Q HN 0.601 nan 8.270 nan 0.000 0.421 539 L N 0.350 121.610 121.223 0.061 0.000 2.012 539 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 539 L C 2.555 179.498 176.870 0.123 0.000 1.073 539 L CA 0.855 55.772 54.840 0.129 0.000 0.748 539 L CB -0.601 41.542 42.059 0.140 0.000 0.891 539 L HN 0.376 nan 8.230 nan 0.000 0.431 540 L N -0.474 120.799 121.223 0.083 0.000 1.989 540 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 540 L C 2.391 179.300 176.870 0.065 0.000 1.071 540 L CA 1.785 56.666 54.840 0.068 0.000 0.749 540 L CB -0.608 41.483 42.059 0.052 0.000 0.890 540 L HN -0.077 nan 8.230 nan 0.000 0.431 541 V N 0.274 120.212 119.914 0.040 0.000 2.287 541 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 541 V C 2.888 179.029 176.094 0.079 0.000 1.053 541 V CA 1.917 64.245 62.300 0.048 0.000 1.027 541 V CB -0.845 30.985 31.823 0.012 0.000 0.646 541 V HN 0.458 nan 8.190 nan 0.000 0.447 542 R N 0.336 120.882 120.500 0.076 0.000 2.081 542 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 542 R C 2.365 178.706 176.300 0.068 0.000 1.131 542 R CA 1.597 57.744 56.100 0.080 0.000 0.960 542 R CB -1.398 28.970 30.300 0.112 0.000 0.856 542 R HN 0.543 nan 8.270 nan 0.000 0.436 543 A N 0.377 123.241 122.820 0.072 0.000 1.902 543 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 543 A C 2.113 179.706 177.584 0.016 0.000 1.181 543 A CA 1.881 53.919 52.037 0.002 0.000 0.623 543 A CB -0.716 18.265 19.000 -0.031 0.000 0.818 543 A HN 0.451 nan 8.150 nan 0.000 0.443 544 H N -0.050 119.003 119.070 -0.029 0.000 2.353 544 H HA -0.108 4.448 4.556 -0.000 0.000 0.300 544 H C 2.073 177.385 175.328 -0.028 0.000 1.090 544 H CA 2.219 58.250 56.048 -0.028 0.000 1.327 544 H CB -0.275 29.474 29.762 -0.020 0.000 1.383 544 H HN 0.587 nan 8.280 nan 0.000 0.508 545 Q N -0.273 119.467 119.800 -0.100 0.000 2.170 545 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 545 Q C 1.606 177.522 176.000 -0.140 0.000 0.976 545 Q CA 1.379 57.093 55.803 -0.149 0.000 0.858 545 Q CB 0.114 28.827 28.738 -0.041 0.000 0.907 545 Q HN 0.580 nan 8.270 nan 0.000 0.433 546 D N -0.034 120.308 120.400 -0.097 0.000 2.097 546 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 546 D C 2.108 178.337 176.300 -0.118 0.000 0.984 546 D CA 1.944 55.892 54.000 -0.087 0.000 0.826 546 D CB -0.450 40.305 40.800 -0.075 0.000 0.973 546 D HN 0.368 nan 8.370 nan 0.000 0.460 547 T N -1.334 113.135 114.554 -0.141 0.000 2.977 547 T HA -0.123 4.227 4.350 -0.000 0.000 0.271 547 T C 1.517 176.124 174.700 -0.154 0.000 1.105 547 T CA 0.839 62.858 62.100 -0.135 0.000 1.116 547 T CB 0.023 68.830 68.868 -0.103 0.000 0.878 547 T HN -0.011 nan 8.240 nan 0.000 0.509 548 Q N 0.831 120.504 119.800 -0.212 0.000 2.396 548 Q HA 0.201 4.541 4.340 -0.000 0.000 0.209 548 Q C 1.335 177.262 176.000 -0.121 0.000 0.906 548 Q CA 0.244 55.932 55.803 -0.192 0.000 0.927 548 Q CB 0.307 28.873 28.738 -0.286 0.000 1.069 548 Q HN 0.816 nan 8.270 nan 0.000 0.523 560 F N 3.221 123.148 119.950 -0.038 0.000 2.506 560 F HA 0.243 4.770 4.527 -0.000 0.000 0.369 560 F C -0.182 175.601 175.800 -0.029 0.000 1.114 560 F CA 0.213 58.189 58.000 -0.039 0.000 1.121 560 F CB 0.963 39.955 39.000 -0.014 0.000 1.104 560 F HN 0.009 nan 8.300 nan 0.000 0.564 561 V N 4.527 124.503 119.914 0.104 0.000 2.339 561 V HA 0.137 4.257 4.120 -0.000 0.000 0.261 561 V C 0.264 176.472 176.094 0.190 0.000 1.058 561 V CA -0.730 61.625 62.300 0.091 0.000 0.897 561 V CB 0.052 31.836 31.823 -0.064 0.000 1.052 561 V HN 0.847 nan 8.190 nan 0.000 0.480 562 E N 3.401 123.732 120.200 0.218 0.000 2.694 562 E HA -0.233 4.117 4.350 -0.000 0.000 0.272 562 E C 1.132 177.835 176.600 0.172 0.000 1.040 562 E CA 0.463 56.996 56.400 0.222 0.000 0.809 562 E CB -1.349 28.559 29.700 0.347 0.000 1.389 562 E HN 1.408 nan 8.360 nan 0.000 0.413 563 G N -1.166 107.722 108.800 0.147 0.000 2.147 563 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 563 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 563 G C 0.055 175.113 174.900 0.264 0.000 1.005 563 G CA 0.212 45.316 45.100 0.007 0.000 0.713 563 G HN 0.443 nan 8.290 nan 0.000 0.515 564 V N 0.243 120.404 119.914 0.411 0.000 2.569 564 V HA 0.513 4.632 4.120 -0.000 0.000 0.301 564 V C 0.502 176.617 176.094 0.036 0.000 1.044 564 V CA -1.109 61.348 62.300 0.262 0.000 0.874 564 V CB 1.707 33.580 31.823 0.084 0.000 1.002 564 V HN 0.387 nan 8.190 nan 0.000 0.424 565 R N 4.089 124.527 120.500 -0.104 0.000 2.390 565 R HA 0.376 4.716 4.340 -0.000 0.000 0.291 565 R C 1.010 177.143 176.300 -0.278 0.000 1.070 565 R CA -0.679 55.219 56.100 -0.337 0.000 1.014 565 R CB 0.792 30.813 30.300 -0.464 0.000 1.007 565 R HN 0.574 nan 8.270 nan 0.000 0.466 566 M N 1.633 121.047 119.600 -0.310 0.000 2.358 566 M HA -0.127 4.352 4.480 -0.000 0.000 0.264 566 M C 1.188 177.384 176.300 -0.174 0.000 1.064 566 M CA 1.581 56.701 55.300 -0.300 0.000 1.093 566 M CB -0.575 31.867 32.600 -0.263 0.000 1.401 566 M HN 0.558 nan 8.290 nan 0.000 0.440 567 E N 0.659 120.771 120.200 -0.146 0.000 2.118 567 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 567 E C 1.879 178.446 176.600 -0.056 0.000 0.992 567 E CA 1.264 57.616 56.400 -0.080 0.000 0.804 567 E CB -0.212 29.436 29.700 -0.086 0.000 0.741 567 E HN 0.583 nan 8.360 nan 0.000 0.458 568 E N -0.191 119.964 120.200 -0.075 0.000 2.152 568 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 568 E C 1.804 178.393 176.600 -0.018 0.000 0.983 568 E CA 0.573 56.955 56.400 -0.030 0.000 0.818 568 E CB 0.013 29.706 29.700 -0.012 0.000 0.758 568 E HN 0.222 nan 8.360 nan 0.000 0.467 569 I N 0.806 121.336 120.570 -0.067 0.000 2.286 569 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 569 I C 2.419 178.545 176.117 0.015 0.000 1.104 569 I CA 0.875 62.157 61.300 -0.030 0.000 1.397 569 I CB -0.983 36.935 38.000 -0.137 0.000 1.072 569 I HN -0.002 nan 8.210 nan 0.000 0.417 570 V N 1.032 120.947 119.914 0.002 0.000 2.287 570 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 570 V C 2.613 178.732 176.094 0.041 0.000 1.053 570 V CA 2.143 64.464 62.300 0.036 0.000 1.027 570 V CB -0.680 31.171 31.823 0.047 0.000 0.646 570 V HN 0.461 nan 8.190 nan 0.000 0.447 571 E N 0.165 120.383 120.200 0.029 0.000 2.051 571 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 571 E C 2.286 178.914 176.600 0.047 0.000 0.991 571 E CA 1.464 57.884 56.400 0.033 0.000 0.799 571 E CB -0.482 29.234 29.700 0.027 0.000 0.748 571 E HN 0.565 nan 8.360 nan 0.000 0.449 572 G N 0.576 109.407 108.800 0.052 0.000 2.433 572 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.216 572 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.216 572 G C 1.769 176.713 174.900 0.072 0.000 1.186 572 G CA 1.030 46.169 45.100 0.065 0.000 0.779 572 G HN 0.411 nan 8.290 nan 0.000 0.543 573 C N 0.534 119.881 119.300 0.078 0.000 2.429 573 C HA -0.003 4.457 4.460 -0.000 0.000 0.277 573 C C 3.245 178.293 174.990 0.096 0.000 1.262 573 C CA 1.495 60.565 59.018 0.087 0.000 1.733 573 C CB -1.045 26.751 27.740 0.093 0.000 2.010 573 C HN 0.439 nan 8.230 nan 0.000 0.483 574 T N 0.506 115.119 114.554 0.098 0.000 2.867 574 T HA -0.042 4.308 4.350 -0.000 0.000 0.268 574 T C 1.972 176.697 174.700 0.041 0.000 1.057 574 T CA 1.663 63.822 62.100 0.097 0.000 1.136 574 T CB -0.497 68.420 68.868 0.082 0.000 0.874 574 T HN 0.702 nan 8.240 nan 0.000 0.466 575 G N 0.966 109.800 108.800 0.057 0.000 2.408 575 G HA2 0.012 3.972 3.960 -0.000 0.000 0.217 575 G HA3 0.012 3.972 3.960 -0.000 0.000 0.217 575 G C 1.783 176.726 174.900 0.073 0.000 1.150 575 G CA 0.785 45.933 45.100 0.080 0.000 0.776 575 G HN 0.567 nan 8.290 nan 0.000 0.542 576 A N 0.530 123.386 122.820 0.060 0.000 1.897 576 A HA 0.189 4.509 4.320 -0.000 0.000 0.215 576 A C 2.391 179.993 177.584 0.030 0.000 1.181 576 A CA 0.959 53.023 52.037 0.044 0.000 0.620 576 A CB -0.344 18.689 19.000 0.054 0.000 0.821 576 A HN 0.334 nan 8.150 nan 0.000 0.443 577 L N -1.354 119.896 121.223 0.044 0.000 2.131 577 L HA -0.208 4.131 4.340 -0.000 0.000 0.210 577 L C 2.586 179.446 176.870 -0.017 0.000 1.092 577 L CA 1.631 56.488 54.840 0.028 0.000 0.759 577 L CB -0.730 41.382 42.059 0.089 0.000 0.903 577 L HN 0.667 nan 8.230 nan 0.000 0.435 578 H N 0.315 119.290 119.070 -0.158 0.000 2.352 578 H HA -0.186 4.370 4.556 -0.000 0.000 0.299 578 H C 2.229 177.459 175.328 -0.163 0.000 1.097 578 H CA 1.502 57.418 56.048 -0.219 0.000 1.311 578 H CB 0.402 30.031 29.762 -0.221 0.000 1.377 578 H HN 0.164 nan 8.280 nan 0.000 0.504 579 I N 0.899 121.370 120.570 -0.166 0.000 2.333 579 I HA -0.204 3.966 4.170 -0.000 0.000 0.246 579 I C 2.642 178.653 176.117 -0.176 0.000 1.106 579 I CA 0.706 61.880 61.300 -0.209 0.000 1.411 579 I CB -1.074 36.859 38.000 -0.110 0.000 1.082 579 I HN 0.350 nan 8.210 nan 0.000 0.420 580 L N 1.040 122.182 121.223 -0.136 0.000 2.131 580 L HA -0.132 4.207 4.340 -0.000 0.000 0.210 580 L C 2.520 179.246 176.870 -0.240 0.000 1.092 580 L CA 1.093 55.816 54.840 -0.197 0.000 0.759 580 L CB -0.592 41.419 42.059 -0.079 0.000 0.903 580 L HN 0.180 nan 8.230 nan 0.000 0.435 581 A N -0.229 122.499 122.820 -0.154 0.000 2.259 581 A HA -0.133 4.187 4.320 -0.000 0.000 0.212 581 A C 2.198 179.695 177.584 -0.145 0.000 1.178 581 A CA 0.800 52.762 52.037 -0.126 0.000 0.734 581 A CB -0.532 18.409 19.000 -0.097 0.000 0.774 581 A HN 0.360 nan 8.150 nan 0.000 0.481 582 R N -0.032 120.340 120.500 -0.212 0.000 2.189 582 R HA -0.026 4.313 4.340 -0.000 0.000 0.218 582 R C 0.292 176.513 176.300 -0.132 0.000 1.074 582 R CA 0.783 56.792 56.100 -0.152 0.000 0.991 582 R CB 0.016 30.252 30.300 -0.106 0.000 0.883 582 R HN 0.575 nan 8.270 nan 0.000 0.457 583 D N 0.318 120.577 120.400 -0.235 0.000 2.198 583 D HA 0.000 4.640 4.640 -0.000 0.000 0.245 583 D C 0.959 177.222 176.300 -0.062 0.000 1.079 583 D CA -0.141 53.804 54.000 -0.093 0.000 0.854 583 D CB 2.274 43.012 40.800 -0.104 0.000 1.148 583 D HN -0.202 nan 8.370 nan 0.000 0.456 584 V N 4.871 124.747 119.914 -0.062 0.000 2.332 584 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 584 V C 1.555 177.529 176.094 -0.201 0.000 1.055 584 V CA 2.021 64.226 62.300 -0.157 0.000 1.038 584 V CB -0.614 31.063 31.823 -0.244 0.000 0.651 584 V HN 0.621 nan 8.190 nan 0.000 0.450 585 H N 0.139 119.207 119.070 -0.004 0.000 2.423 585 H HA -0.037 4.519 4.556 -0.000 0.000 0.297 585 H C 2.236 177.561 175.328 -0.006 0.000 1.075 585 H CA 1.687 57.736 56.048 0.001 0.000 1.342 585 H CB -0.179 29.590 29.762 0.011 0.000 1.395 585 H HN 0.415 nan 8.280 nan 0.000 0.530 586 N N 0.585 119.331 118.700 0.076 0.000 2.188 586 N HA -0.084 4.656 4.740 -0.000 0.000 0.184 586 N C 1.694 177.208 175.510 0.008 0.000 1.018 586 N CA 0.754 53.819 53.050 0.025 0.000 0.858 586 N CB -0.083 38.381 38.487 -0.039 0.000 0.989 586 N HN 0.360 nan 8.380 nan 0.000 0.426 587 R N 0.486 120.974 120.500 -0.019 0.000 2.096 587 R HA 0.017 4.357 4.340 -0.000 0.000 0.235 587 R C 2.147 178.449 176.300 0.004 0.000 1.127 587 R CA 0.782 56.872 56.100 -0.017 0.000 0.968 587 R CB -0.331 29.944 30.300 -0.041 0.000 0.861 587 R HN 0.276 nan 8.270 nan 0.000 0.440 588 I N 0.182 120.751 120.570 -0.000 0.000 2.202 588 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 588 I C 2.291 178.427 176.117 0.031 0.000 1.091 588 I CA 1.107 62.414 61.300 0.012 0.000 1.368 588 I CB -0.254 37.753 38.000 0.012 0.000 1.058 588 I HN -0.051 nan 8.210 nan 0.000 0.410 589 V N 1.193 121.132 119.914 0.042 0.000 2.261 589 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 589 V C 2.338 178.459 176.094 0.046 0.000 1.047 589 V CA 1.943 64.270 62.300 0.045 0.000 1.015 589 V CB -0.473 31.380 31.823 0.049 0.000 0.642 589 V HN 0.319 nan 8.190 nan 0.000 0.446 590 I N -0.283 120.320 120.570 0.056 0.000 2.118 590 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 590 I C 2.792 178.960 176.117 0.086 0.000 1.070 590 I CA 2.144 63.496 61.300 0.088 0.000 1.327 590 I CB -0.438 37.630 38.000 0.113 0.000 1.034 590 I HN 0.233 nan 8.210 nan 0.000 0.405 591 R N 1.028 121.569 120.500 0.069 0.000 2.092 591 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 591 R C 2.264 178.582 176.300 0.029 0.000 1.119 591 R CA 1.519 57.652 56.100 0.055 0.000 0.970 591 R CB -0.482 29.842 30.300 0.040 0.000 0.864 591 R HN 0.426 nan 8.270 nan 0.000 0.440 592 G N 0.579 109.395 108.800 0.026 0.000 2.498 592 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 592 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 592 G C 1.210 176.115 174.900 0.010 0.000 1.119 592 G CA 0.245 45.355 45.100 0.017 0.000 0.766 592 G HN 0.264 nan 8.290 nan 0.000 0.552 593 L N -0.051 121.177 121.223 0.009 0.000 2.627 593 L HA 0.182 4.522 4.340 -0.000 0.000 0.233 593 L C 1.041 177.891 176.870 -0.033 0.000 1.144 593 L CA -0.114 54.722 54.840 -0.007 0.000 0.892 593 L CB -0.408 41.649 42.059 -0.003 0.000 1.039 593 L HN 0.249 nan 8.230 nan 0.000 0.442 594 N N 0.153 118.835 118.700 -0.029 0.000 2.714 594 N HA -0.213 4.526 4.740 -0.000 0.000 0.253 594 N C 0.935 176.379 175.510 -0.109 0.000 1.024 594 N CA 0.896 53.918 53.050 -0.047 0.000 0.726 594 N CB -0.611 37.853 38.487 -0.038 0.000 0.908 594 N HN 0.470 nan 8.380 nan 0.000 0.542 595 T N -3.388 111.075 114.554 -0.151 0.000 3.037 595 T HA 0.211 4.560 4.350 -0.000 0.000 0.251 595 T C 1.947 176.359 174.700 -0.481 0.000 1.079 595 T CA 0.479 62.334 62.100 -0.408 0.000 1.067 595 T CB -0.066 68.481 68.868 -0.535 0.000 0.948 595 T HN 0.342 nan 8.240 nan 0.000 0.496 596 I N 2.193 122.699 120.570 -0.107 0.000 2.151 596 I HA -0.100 4.069 4.170 -0.000 0.000 0.243 596 I C -0.625 175.480 176.117 -0.020 0.000 1.080 596 I CA 1.421 62.754 61.300 0.055 0.000 1.339 596 I CB -1.119 36.926 38.000 0.075 0.000 1.039 596 I HN 0.217 nan 8.210 nan 0.000 0.409 597 P HA -0.196 nan 4.420 nan 0.000 0.216 597 P C 1.981 179.235 177.300 -0.077 0.000 1.150 597 P CA 1.377 64.450 63.100 -0.045 0.000 0.837 597 P CB 0.038 31.712 31.700 -0.043 0.000 0.786 598 L N -1.998 119.108 121.223 -0.195 0.000 2.027 598 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 598 L C 2.142 178.887 176.870 -0.209 0.000 1.074 598 L CA 1.869 56.553 54.840 -0.259 0.000 0.745 598 L CB -0.687 41.125 42.059 -0.411 0.000 0.898 598 L HN -0.074 nan 8.230 nan 0.000 0.433 599 F N -0.380 119.512 119.950 -0.097 0.000 2.161 599 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 599 F C 2.500 178.235 175.800 -0.109 0.000 1.089 599 F CA 1.100 59.033 58.000 -0.112 0.000 1.282 599 F CB -1.345 37.594 39.000 -0.101 0.000 1.010 599 F HN -0.121 nan 8.300 nan 0.000 0.485 600 V N -0.393 119.575 119.914 0.089 0.000 2.343 600 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 600 V C 2.440 178.542 176.094 0.013 0.000 1.051 600 V CA 1.607 63.919 62.300 0.020 0.000 1.036 600 V CB -0.565 31.274 31.823 0.027 0.000 0.654 600 V HN 0.283 nan 8.190 nan 0.000 0.451 601 Q N -0.417 119.415 119.800 0.053 0.000 2.167 601 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 601 Q C 2.198 178.254 176.000 0.094 0.000 0.970 601 Q CA 1.283 57.172 55.803 0.144 0.000 0.855 601 Q CB -0.397 28.394 28.738 0.087 0.000 0.911 601 Q HN 0.548 nan 8.270 nan 0.000 0.438 602 L N -0.031 121.175 121.223 -0.029 0.000 2.362 602 L HA -0.153 4.186 4.340 -0.000 0.000 0.219 602 L C 1.854 178.713 176.870 -0.019 0.000 1.134 602 L CA 0.115 54.930 54.840 -0.040 0.000 0.807 602 L CB -0.308 41.725 42.059 -0.043 0.000 0.927 602 L HN 0.172 nan 8.230 nan 0.000 0.447 603 L N -1.235 119.944 121.223 -0.075 0.000 2.265 603 L HA -0.191 4.149 4.340 -0.000 0.000 0.215 603 L C 1.757 178.502 176.870 -0.208 0.000 1.117 603 L CA 1.732 56.462 54.840 -0.183 0.000 0.782 603 L CB -0.722 41.154 42.059 -0.304 0.000 0.914 603 L HN 0.222 nan 8.230 nan 0.000 0.441 604 Y N -2.034 118.263 120.300 -0.004 0.000 2.466 604 Y HA 0.170 4.720 4.550 -0.000 0.000 0.272 604 Y C 1.580 177.486 175.900 0.011 0.000 1.169 604 Y CA -0.261 57.840 58.100 0.003 0.000 1.285 604 Y CB 0.100 38.568 38.460 0.012 0.000 1.078 604 Y HN -0.015 nan 8.280 nan 0.000 0.523 605 S N 2.619 118.396 115.700 0.128 0.000 2.552 605 S HA -0.008 4.462 4.470 -0.000 0.000 0.289 605 S C -1.147 173.491 174.600 0.064 0.000 1.304 605 S CA -1.151 57.105 58.200 0.093 0.000 1.063 605 S CB 0.690 63.926 63.200 0.060 0.000 0.848 605 S HN 0.172 nan 8.310 nan 0.000 0.499 606 P HA 0.116 nan 4.420 nan 0.000 0.237 606 P C -0.040 177.272 177.300 0.021 0.000 1.178 606 P CA 0.514 63.636 63.100 0.036 0.000 0.766 606 P CB -0.044 31.673 31.700 0.029 0.000 0.876 607 I N 1.087 121.668 120.570 0.019 0.000 2.312 607 I HA 0.127 4.296 4.170 -0.000 0.000 0.291 607 I C 1.947 178.068 176.117 0.006 0.000 1.031 607 I CA -0.360 60.946 61.300 0.010 0.000 1.293 607 I CB 1.082 39.086 38.000 0.007 0.000 1.403 607 I HN -0.114 nan 8.210 nan 0.000 0.484 608 E N 5.302 125.503 120.200 0.003 0.000 2.097 608 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 608 E C 1.356 177.958 176.600 0.003 0.000 1.000 608 E CA 1.732 58.130 56.400 -0.003 0.000 0.804 608 E CB 0.219 29.918 29.700 -0.002 0.000 0.740 608 E HN 0.644 nan 8.360 nan 0.000 0.454 609 N N 0.365 119.071 118.700 0.010 0.000 2.244 609 N HA -0.119 4.620 4.740 -0.000 0.000 0.183 609 N C 1.968 177.486 175.510 0.013 0.000 1.016 609 N CA 1.032 54.093 53.050 0.019 0.000 0.866 609 N CB -0.128 38.373 38.487 0.024 0.000 0.980 609 N HN 0.341 nan 8.380 nan 0.000 0.430 610 I N 1.334 121.908 120.570 0.007 0.000 2.286 610 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 610 I C 2.238 178.344 176.117 -0.019 0.000 1.104 610 I CA 0.828 62.129 61.300 0.001 0.000 1.397 610 I CB -0.184 37.823 38.000 0.011 0.000 1.072 610 I HN 0.088 nan 8.210 nan 0.000 0.417 611 Q N 0.374 120.163 119.800 -0.020 0.000 2.061 611 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 611 Q C 2.331 178.304 176.000 -0.045 0.000 0.984 611 Q CA 1.682 57.461 55.803 -0.040 0.000 0.846 611 Q CB -0.240 28.474 28.738 -0.041 0.000 0.902 611 Q HN 0.372 nan 8.270 nan 0.000 0.421 612 R N 0.456 120.949 120.500 -0.012 0.000 2.080 612 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 612 R C 2.283 178.549 176.300 -0.057 0.000 1.137 612 R CA 1.917 58.039 56.100 0.036 0.000 0.943 612 R CB -0.279 30.066 30.300 0.075 0.000 0.846 612 R HN 0.327 nan 8.270 nan 0.000 0.431 613 V N -1.796 118.060 119.914 -0.098 0.000 2.548 613 V HA 0.017 4.137 4.120 -0.000 0.000 0.249 613 V C 2.277 178.148 176.094 -0.371 0.000 1.055 613 V CA 1.502 63.660 62.300 -0.238 0.000 1.065 613 V CB -0.944 30.831 31.823 -0.080 0.000 0.681 613 V HN 0.383 nan 8.190 nan 0.000 0.462 614 A N 0.969 123.653 122.820 -0.227 0.000 1.873 614 A HA 0.123 4.442 4.320 -0.000 0.000 0.215 614 A C 2.486 179.883 177.584 -0.311 0.000 1.186 614 A CA 2.191 54.094 52.037 -0.223 0.000 0.616 614 A CB -1.073 17.881 19.000 -0.076 0.000 0.823 614 A HN 0.879 nan 8.150 nan 0.000 0.442 615 A N -0.460 122.212 122.820 -0.246 0.000 1.930 615 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 615 A C 2.371 179.695 177.584 -0.433 0.000 1.175 615 A CA 1.858 53.765 52.037 -0.216 0.000 0.627 615 A CB -1.325 17.641 19.000 -0.056 0.000 0.815 615 A HN 0.692 nan 8.150 nan 0.000 0.443 616 G N -0.746 107.579 108.800 -0.791 0.000 2.433 616 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 616 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 616 G C 1.636 175.834 174.900 -1.170 0.000 1.186 616 G CA 1.232 45.334 45.100 -1.663 0.000 0.779 616 G HN 0.521 nan 8.290 nan 0.000 0.543 617 V N 0.598 119.961 119.914 -0.918 0.000 2.427 617 V HA -0.010 4.110 4.120 -0.000 0.000 0.248 617 V C 2.845 178.643 176.094 -0.493 0.000 1.051 617 V CA 1.541 63.471 62.300 -0.617 0.000 1.048 617 V CB -0.212 31.078 31.823 -0.889 0.000 0.666 617 V HN 0.402 nan 8.190 nan 0.000 0.456 618 L N -0.718 120.226 121.223 -0.465 0.000 2.093 618 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 618 L C 2.732 179.495 176.870 -0.178 0.000 1.085 618 L CA 1.687 56.374 54.840 -0.253 0.000 0.755 618 L CB -0.732 41.222 42.059 -0.175 0.000 0.904 618 L HN 0.544 nan 8.230 nan 0.000 0.435 619 C N 0.184 119.354 119.300 -0.217 0.000 2.432 619 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 619 C C 2.822 177.764 174.990 -0.080 0.000 1.249 619 C CA 0.868 59.817 59.018 -0.116 0.000 1.725 619 C CB -0.544 27.130 27.740 -0.110 0.000 2.028 619 C HN 0.479 nan 8.230 nan 0.000 0.477 620 E N 0.676 120.808 120.200 -0.114 0.000 2.051 620 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 620 E C 2.167 178.729 176.600 -0.063 0.000 0.991 620 E CA 1.180 57.541 56.400 -0.064 0.000 0.799 620 E CB -0.652 29.014 29.700 -0.057 0.000 0.748 620 E HN 0.687 nan 8.360 nan 0.000 0.449 621 L N 0.516 121.688 121.223 -0.086 0.000 2.131 621 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 621 L C 2.353 179.203 176.870 -0.034 0.000 1.092 621 L CA 1.049 55.856 54.840 -0.055 0.000 0.759 621 L CB -0.454 41.575 42.059 -0.050 0.000 0.903 621 L HN 0.043 nan 8.230 nan 0.000 0.435 622 A N 0.076 122.875 122.820 -0.036 0.000 2.209 622 A HA -0.174 4.146 4.320 -0.000 0.000 0.212 622 A C 2.191 179.772 177.584 -0.004 0.000 1.158 622 A CA 0.959 52.987 52.037 -0.015 0.000 0.742 622 A CB -0.466 18.528 19.000 -0.011 0.000 0.790 622 A HN 0.658 nan 8.150 nan 0.000 0.472 623 Q N -0.302 119.493 119.800 -0.009 0.000 2.437 623 Q HA -0.058 4.282 4.340 -0.000 0.000 0.210 623 Q C -0.772 175.223 176.000 -0.007 0.000 0.972 623 Q CA 0.734 56.535 55.803 -0.002 0.000 0.903 623 Q CB -0.186 28.549 28.738 -0.005 0.000 0.967 623 Q HN 0.432 nan 8.270 nan 0.000 0.486 624 D N 1.143 121.536 120.400 -0.012 0.000 2.193 624 D HA 0.121 4.761 4.640 -0.000 0.000 0.244 624 D C 0.471 176.767 176.300 -0.006 0.000 1.064 624 D CA -0.439 53.553 54.000 -0.014 0.000 0.845 624 D CB 1.788 42.574 40.800 -0.023 0.000 1.148 624 D HN -0.075 nan 8.370 nan 0.000 0.464 625 K N 1.815 122.213 120.400 -0.004 0.000 2.015 625 K HA -0.198 4.122 4.320 -0.000 0.000 0.216 625 K C 1.518 178.119 176.600 0.001 0.000 1.052 625 K CA 1.337 57.625 56.287 0.001 0.000 0.937 625 K CB -0.004 32.497 32.500 0.001 0.000 0.719 625 K HN 0.535 nan 8.250 nan 0.000 0.446 626 E N 0.233 120.432 120.200 -0.001 0.000 2.085 626 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 626 E C 2.003 178.605 176.600 0.002 0.000 0.994 626 E CA 1.232 57.632 56.400 0.001 0.000 0.801 626 E CB -0.105 29.594 29.700 -0.001 0.000 0.743 626 E HN 0.343 nan 8.360 nan 0.000 0.453 627 A N 1.368 124.188 122.820 0.001 0.000 1.930 627 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 627 A C 2.385 179.972 177.584 0.005 0.000 1.175 627 A CA 1.616 53.655 52.037 0.004 0.000 0.627 627 A CB -0.487 18.513 19.000 -0.000 0.000 0.815 627 A HN 0.293 nan 8.150 nan 0.000 0.443 628 A N -0.113 122.708 122.820 0.003 0.000 1.902 628 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 628 A C 1.910 179.497 177.584 0.006 0.000 1.181 628 A CA 1.733 53.772 52.037 0.004 0.000 0.623 628 A CB -0.526 18.479 19.000 0.009 0.000 0.818 628 A HN 0.636 nan 8.150 nan 0.000 0.443 629 E N -0.317 119.887 120.200 0.007 0.000 2.051 629 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 629 E C 2.324 178.928 176.600 0.007 0.000 0.991 629 E CA 1.003 57.407 56.400 0.007 0.000 0.799 629 E CB -0.299 29.405 29.700 0.007 0.000 0.748 629 E HN 0.617 nan 8.360 nan 0.000 0.449 630 A N 1.002 123.827 122.820 0.008 0.000 1.933 630 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 630 A C 2.154 179.745 177.584 0.013 0.000 1.175 630 A CA 1.115 53.159 52.037 0.011 0.000 0.628 630 A CB -0.574 18.434 19.000 0.013 0.000 0.814 630 A HN 0.157 nan 8.150 nan 0.000 0.444 631 I N -0.806 119.771 120.570 0.012 0.000 2.315 631 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 631 I C 2.540 178.659 176.117 0.004 0.000 1.117 631 I CA 1.692 62.999 61.300 0.012 0.000 1.404 631 I CB -0.272 37.730 38.000 0.004 0.000 1.071 631 I HN 0.524 nan 8.210 nan 0.000 0.419 632 E N 1.426 121.628 120.200 0.002 0.000 2.106 632 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 632 E C 2.229 178.832 176.600 0.005 0.000 0.984 632 E CA 1.121 57.521 56.400 -0.000 0.000 0.806 632 E CB -0.005 29.695 29.700 0.001 0.000 0.750 632 E HN 0.466 nan 8.360 nan 0.000 0.458 633 A N 0.911 123.735 122.820 0.007 0.000 2.121 633 A HA -0.115 4.204 4.320 -0.000 0.000 0.218 633 A C 1.582 179.173 177.584 0.012 0.000 1.154 633 A CA 0.949 52.991 52.037 0.009 0.000 0.679 633 A CB -0.149 18.856 19.000 0.008 0.000 0.795 633 A HN 0.174 nan 8.150 nan 0.000 0.458 634 E N -0.867 119.340 120.200 0.013 0.000 2.465 634 E HA 0.195 4.545 4.350 -0.000 0.000 0.191 634 E C 1.017 177.631 176.600 0.024 0.000 1.053 634 E CA 0.525 56.936 56.400 0.018 0.000 0.869 634 E CB -0.332 29.379 29.700 0.019 0.000 0.977 634 E HN 0.720 nan 8.360 nan 0.000 0.483 635 G N 1.443 110.255 108.800 0.020 0.000 2.225 635 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.264 635 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.264 635 G C 1.017 175.927 174.900 0.017 0.000 1.060 635 G CA 0.482 45.598 45.100 0.026 0.000 0.833 635 G HN 0.416 nan 8.290 nan 0.000 0.498 636 A N -0.907 121.909 122.820 -0.006 0.000 2.016 636 A HA 0.237 4.556 4.320 -0.000 0.000 0.217 636 A C 2.452 180.000 177.584 -0.060 0.000 1.162 636 A CA 2.382 54.395 52.037 -0.040 0.000 0.662 636 A CB -0.500 18.477 19.000 -0.039 0.000 0.812 636 A HN 0.796 nan 8.150 nan 0.000 0.450 637 T N 0.773 115.304 114.554 -0.039 0.000 2.653 637 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 637 T C 2.211 176.882 174.700 -0.047 0.000 1.035 637 T CA 1.943 64.016 62.100 -0.045 0.000 1.154 637 T CB -0.517 68.335 68.868 -0.028 0.000 0.862 637 T HN 0.619 nan 8.240 nan 0.000 0.441 638 A N 2.402 125.210 122.820 -0.020 0.000 1.845 638 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 638 A C 0.542 178.100 177.584 -0.043 0.000 1.195 638 A CA 1.502 53.540 52.037 0.001 0.000 0.616 638 A CB -1.628 17.408 19.000 0.061 0.000 0.832 638 A HN 0.441 nan 8.150 nan 0.000 0.443 639 P HA -0.140 nan 4.420 nan 0.000 0.218 639 P C 1.556 178.709 177.300 -0.245 0.000 1.148 639 P CA 1.040 63.931 63.100 -0.349 0.000 0.822 639 P CB -0.189 30.987 31.700 -0.874 0.000 0.784 640 L N -0.623 120.492 121.223 -0.179 0.000 2.027 640 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 640 L C 2.676 179.474 176.870 -0.121 0.000 1.074 640 L CA 1.921 56.674 54.840 -0.146 0.000 0.745 640 L CB -1.729 40.255 42.059 -0.124 0.000 0.898 640 L HN -0.007 nan 8.230 nan 0.000 0.433 641 T N -0.773 113.726 114.554 -0.093 0.000 2.759 641 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 641 T C 1.686 176.368 174.700 -0.031 0.000 1.042 641 T CA 1.176 63.239 62.100 -0.062 0.000 1.140 641 T CB -0.166 68.680 68.868 -0.037 0.000 0.864 641 T HN 0.300 nan 8.240 nan 0.000 0.455 642 E N 1.021 121.201 120.200 -0.034 0.000 2.268 642 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 642 E C 1.922 178.426 176.600 -0.160 0.000 0.995 642 E CA 0.573 56.972 56.400 -0.001 0.000 0.836 642 E CB -0.237 29.473 29.700 0.016 0.000 0.763 642 E HN 0.503 nan 8.360 nan 0.000 0.491 643 L N 0.139 121.252 121.223 -0.185 0.000 2.567 643 L HA 0.088 4.428 4.340 -0.000 0.000 0.225 643 L C 2.133 178.858 176.870 -0.242 0.000 1.119 643 L CA -0.062 54.629 54.840 -0.248 0.000 0.871 643 L CB -0.145 41.812 42.059 -0.170 0.000 1.036 643 L HN 0.046 nan 8.230 nan 0.000 0.459 644 L N 0.329 121.456 121.223 -0.160 0.000 2.187 644 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 644 L C 2.349 179.192 176.870 -0.045 0.000 1.100 644 L CA 1.085 55.874 54.840 -0.083 0.000 0.765 644 L CB -0.600 41.440 42.059 -0.032 0.000 0.904 644 L HN 0.543 nan 8.230 nan 0.000 0.437 645 H N -2.225 116.828 119.070 -0.028 0.000 2.519 645 H HA 0.188 4.744 4.556 -0.000 0.000 0.289 645 H C 0.829 176.147 175.328 -0.017 0.000 1.040 645 H CA -0.186 55.850 56.048 -0.020 0.000 1.165 645 H CB 0.020 29.773 29.762 -0.014 0.000 1.462 645 H HN 0.073 nan 8.280 nan 0.000 0.555 646 S N 1.050 116.626 115.700 -0.207 0.000 2.568 646 S HA 0.034 4.504 4.470 -0.000 0.000 0.282 646 S C 1.418 175.994 174.600 -0.039 0.000 1.338 646 S CA -0.612 57.508 58.200 -0.132 0.000 1.045 646 S CB 0.794 63.907 63.200 -0.145 0.000 0.873 646 S HN 0.440 nan 8.310 nan 0.000 0.516 647 R N 2.281 122.773 120.500 -0.014 0.000 2.189 647 R HA 0.038 4.378 4.340 -0.000 0.000 0.218 647 R C 0.527 176.817 176.300 -0.018 0.000 1.074 647 R CA 0.211 56.309 56.100 -0.003 0.000 0.991 647 R CB -0.815 29.490 30.300 0.008 0.000 0.883 647 R HN 0.593 nan 8.270 nan 0.000 0.457 648 N N 2.302 120.984 118.700 -0.030 0.000 2.399 648 N HA -0.045 4.695 4.740 -0.000 0.000 0.259 648 N C 0.545 176.020 175.510 -0.057 0.000 1.160 648 N CA 0.281 53.310 53.050 -0.035 0.000 0.946 648 N CB 0.876 39.345 38.487 -0.029 0.000 1.156 648 N HN 0.150 nan 8.380 nan 0.000 0.489 649 E N 2.515 122.678 120.200 -0.062 0.000 2.097 649 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 649 E C 1.598 178.099 176.600 -0.164 0.000 1.000 649 E CA 1.490 57.835 56.400 -0.092 0.000 0.804 649 E CB -0.002 29.649 29.700 -0.081 0.000 0.740 649 E HN 0.797 nan 8.360 nan 0.000 0.454 650 G N 0.916 109.610 108.800 -0.177 0.000 2.433 650 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.216 650 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.216 650 G C 1.750 176.493 174.900 -0.261 0.000 1.186 650 G CA 0.972 45.872 45.100 -0.332 0.000 0.779 650 G HN 0.144 nan 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-0.075 0.000 1.146 654 Y CA 0.092 58.160 58.100 -0.052 0.000 1.164 654 Y CB -1.300 37.101 38.460 -0.098 0.000 0.982 654 Y HN 0.198 nan 8.280 nan 0.000 0.515 655 A N 0.113 122.971 122.820 0.063 0.000 1.877 655 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 655 A C 2.523 180.061 177.584 -0.078 0.000 1.186 655 A CA 2.109 54.126 52.037 -0.034 0.000 0.620 655 A CB -1.272 17.684 19.000 -0.074 0.000 0.822 655 A HN 0.391 nan 8.150 nan 0.000 0.443 656 A N -0.165 122.605 122.820 -0.082 0.000 1.902 656 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 656 A C 2.527 180.026 177.584 -0.142 0.000 1.181 656 A CA 2.226 54.149 52.037 -0.189 0.000 0.623 656 A CB -1.087 17.867 19.000 -0.077 0.000 0.818 656 A HN 1.107 nan 8.150 nan 0.000 0.443 657 A N -0.462 122.408 122.820 0.083 0.000 1.908 657 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 657 A C 2.225 179.872 177.584 0.103 0.000 1.181 657 A CA 1.931 54.083 52.037 0.192 0.000 0.627 657 A CB -1.035 18.079 19.000 0.190 0.000 0.818 657 A HN 0.459 nan 8.150 nan 0.000 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661 R CA 1.075 57.235 56.100 0.100 0.000 0.980 661 R CB -0.236 30.106 30.300 0.071 0.000 0.875 661 R HN 0.343 nan 8.270 nan 0.000 0.445 662 M N 0.025 119.650 119.600 0.041 0.000 2.200 662 M HA -0.105 4.375 4.480 -0.000 0.000 0.265 662 M C 2.283 178.601 176.300 0.029 0.000 1.066 662 M CA 1.744 57.056 55.300 0.021 0.000 1.127 662 M CB -0.069 32.531 32.600 -0.000 0.000 1.379 662 M HN 0.162 nan 8.290 nan 0.000 0.420 663 S N -0.721 115.006 115.700 0.045 0.000 2.446 663 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 663 S C 0.869 175.504 174.600 0.058 0.000 1.016 663 S CA -0.092 58.138 58.200 0.050 0.000 0.943 663 S CB -0.262 62.974 63.200 0.060 0.000 0.786 663 S HN 0.496 nan 8.310 nan 0.000 0.508 664 E N 0.000 120.244 120.200 0.073 0.000 2.725 664 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 664 E CA 0.000 56.433 56.400 0.055 0.000 0.976 664 E CB 0.000 29.734 29.700 0.057 0.000 0.812 664 E HN 0.000 nan 8.360 nan 0.000 0.440