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 1jpw_1_B DATA FIRST_RESID 151 DATA SEQUENCE RAIPELTKLL NDEDQVVVNK AAVMVHQLSK KEASRHAIMR SPQMVSAIVR DATA SEQUENCE TMQNTNDVET ARCTAGTLHN LSHHREGLLA IFKSGGIPAL VKMLGSPVDS DATA SEQUENCE VLFYAITTLH NLLLHQEGAK MAVRLAGGLQ KMVALLNKTN VKFLAITTDC DATA SEQUENCE LQILAYGNQE SKLIILASGG PQALVNIMRT YTYEKLLWTT SRVLKVLSVC DATA SEQUENCE SSNKPAIVEA GGMQALGLHL TDPSQRLVQN CLWTLRNLSD AATKQEGMEG DATA SEQUENCE LLGTLVQLLG SDDINVVTCA AGILSNLTCN NYKNKMMVCQ VGGIEALVRT DATA SEQUENCE VLRAGDREDI TEPAICALRH LTSRHQEAEM AQNAVRLHYG LPVVVKLLHP DATA SEQUENCE PSHWPLIKAT VGLIRNLALC PANHAPLREQ GAIPRLVQLL VRAHQDTQRX DATA SEQUENCE XXXXXXXXXF VEGVRMEEIV EGCTGALHIL ARDVHNRIVI RGLNTIPLFV DATA SEQUENCE QLLYSPIENI QRVAAGVLCE LAQDKEAAEA IEAEGATAPL TELLHSRNEG DATA SEQUENCE VATYAAAVLF RM 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 151 R HA 0.000 nan 4.340 nan 0.000 0.208 151 R C 0.000 176.304 176.300 0.007 0.000 0.893 151 R CA 0.000 56.104 56.100 0.006 0.000 0.921 151 R CB 0.000 30.302 30.300 0.004 0.000 0.687 152 A N 1.859 124.683 122.820 0.007 0.000 1.930 152 A HA 0.052 4.372 4.320 0.000 0.000 0.215 152 A C 1.772 179.362 177.584 0.009 0.000 1.176 152 A CA 0.937 52.979 52.037 0.008 0.000 0.632 152 A CB -0.233 18.771 19.000 0.007 0.000 0.819 152 A HN 0.215 nan 8.150 nan 0.000 0.445 153 I N 0.527 121.103 120.570 0.010 0.000 2.091 153 I HA -0.215 3.955 4.170 0.000 0.000 0.240 153 I C -0.390 175.733 176.117 0.011 0.000 1.046 153 I CA 1.584 62.891 61.300 0.012 0.000 1.306 153 I CB -2.416 35.592 38.000 0.014 0.000 1.018 153 I HN 0.154 nan 8.210 nan 0.000 0.404 154 P HA -0.158 nan 4.420 nan 0.000 0.218 154 P C 1.605 178.910 177.300 0.008 0.000 1.146 154 P CA 1.359 64.464 63.100 0.008 0.000 0.813 154 P CB 0.009 31.714 31.700 0.007 0.000 0.778 155 E N -0.687 119.518 120.200 0.008 0.000 2.051 155 E HA -0.043 4.307 4.350 0.000 0.000 0.189 155 E C 2.122 178.727 176.600 0.008 0.000 0.979 155 E CA 0.923 57.327 56.400 0.007 0.000 0.803 155 E CB -0.855 28.850 29.700 0.007 0.000 0.761 155 E HN 0.299 nan 8.360 nan 0.000 0.451 156 L N 0.980 122.209 121.223 0.010 0.000 2.131 156 L HA -0.159 4.181 4.340 0.000 0.000 0.210 156 L C 2.530 179.407 176.870 0.011 0.000 1.092 156 L CA 1.194 56.041 54.840 0.012 0.000 0.759 156 L CB -0.699 41.368 42.059 0.014 0.000 0.903 156 L HN 0.123 nan 8.230 nan 0.000 0.435 157 T N 0.430 114.991 114.554 0.010 0.000 2.635 157 T HA -0.236 4.114 4.350 0.000 0.000 0.267 157 T C 1.798 176.502 174.700 0.008 0.000 1.040 157 T CA 2.019 64.124 62.100 0.009 0.000 1.156 157 T CB -0.201 68.672 68.868 0.009 0.000 0.863 157 T HN 0.492 nan 8.240 nan 0.000 0.430 158 K N 1.344 121.748 120.400 0.007 0.000 2.097 158 K HA 0.008 4.328 4.320 0.000 0.000 0.206 158 K C 2.257 178.860 176.600 0.006 0.000 1.049 158 K CA 1.245 57.535 56.287 0.006 0.000 0.933 158 K CB -0.613 31.890 32.500 0.005 0.000 0.717 158 K HN 0.290 nan 8.250 nan 0.000 0.442 159 L N 1.125 122.352 121.223 0.007 0.000 2.156 159 L HA -0.067 4.273 4.340 0.000 0.000 0.208 159 L C 2.560 179.434 176.870 0.007 0.000 1.095 159 L CA 0.621 55.466 54.840 0.007 0.000 0.770 159 L CB -0.448 41.615 42.059 0.008 0.000 0.914 159 L HN 0.196 nan 8.230 nan 0.000 0.439 160 L N 0.548 121.776 121.223 0.008 0.000 2.079 160 L HA -0.199 4.141 4.340 0.000 0.000 0.210 160 L C 0.996 177.869 176.870 0.006 0.000 1.081 160 L CA 1.484 56.329 54.840 0.008 0.000 0.752 160 L CB -0.390 41.675 42.059 0.010 0.000 0.896 160 L HN 0.602 nan 8.230 nan 0.000 0.433 161 N N -0.652 118.051 118.700 0.005 0.000 2.635 161 N HA 0.049 4.789 4.740 0.000 0.000 0.307 161 N C -0.091 175.421 175.510 0.003 0.000 1.433 161 N CA -0.216 52.836 53.050 0.003 0.000 0.973 161 N CB 0.647 39.136 38.487 0.002 0.000 1.304 161 N HN 0.283 nan 8.380 nan 0.000 0.507 162 D N 1.194 121.596 120.400 0.003 0.000 2.403 162 D HA 0.047 4.687 4.640 0.000 0.000 0.278 162 D C 0.348 176.649 176.300 0.002 0.000 1.230 162 D CA -0.076 53.926 54.000 0.003 0.000 1.062 162 D CB 1.685 42.487 40.800 0.003 0.000 1.119 162 D HN 0.147 nan 8.370 nan 0.000 0.557 163 E N -0.729 119.472 120.200 0.001 0.000 2.367 163 E HA -0.013 4.337 4.350 0.000 0.000 0.204 163 E C -0.323 176.277 176.600 0.001 0.000 0.840 163 E CA -0.236 56.165 56.400 0.001 0.000 1.051 163 E CB 0.385 30.086 29.700 0.000 0.000 1.051 163 E HN 0.395 nan 8.360 nan 0.000 0.509 164 D N 2.507 122.908 120.400 0.001 0.000 2.349 164 D HA -0.039 4.601 4.640 0.000 0.000 0.266 164 D C 0.733 177.034 176.300 0.001 0.000 1.293 164 D CA 0.106 54.107 54.000 0.001 0.000 0.926 164 D CB 1.151 41.952 40.800 0.001 0.000 1.090 164 D HN 0.144 nan 8.370 nan 0.000 0.502 165 Q N 2.006 121.806 119.800 0.000 0.000 2.443 165 Q HA -0.098 4.242 4.340 0.000 0.000 0.213 165 Q C 1.820 177.821 176.000 0.000 0.000 0.982 165 Q CA 0.518 56.321 55.803 -0.000 0.000 0.894 165 Q CB 0.225 28.963 28.738 -0.001 0.000 0.947 165 Q HN 0.458 nan 8.270 nan 0.000 0.480 166 V N -0.965 118.950 119.914 0.001 0.000 2.379 166 V HA -0.142 3.978 4.120 0.000 0.000 0.243 166 V C 2.302 178.398 176.094 0.004 0.000 1.035 166 V CA 0.984 63.285 62.300 0.002 0.000 1.035 166 V CB -0.501 31.323 31.823 0.002 0.000 0.673 166 V HN 0.056 nan 8.190 nan 0.000 0.457 167 V N 0.236 120.153 119.914 0.004 0.000 2.469 167 V HA -0.208 3.912 4.120 0.000 0.000 0.251 167 V C 2.395 178.493 176.094 0.006 0.000 1.064 167 V CA 1.827 64.130 62.300 0.005 0.000 1.066 167 V CB -0.469 31.357 31.823 0.004 0.000 0.667 167 V HN 0.429 nan 8.190 nan 0.000 0.461 168 V N 0.051 119.968 119.914 0.005 0.000 2.548 168 V HA -0.159 3.961 4.120 0.000 0.000 0.249 168 V C 2.219 178.317 176.094 0.006 0.000 1.055 168 V CA 1.890 64.193 62.300 0.006 0.000 1.065 168 V CB -0.827 30.998 31.823 0.004 0.000 0.681 168 V HN 0.511 nan 8.190 nan 0.000 0.462 169 N N 0.883 119.585 118.700 0.005 0.000 2.051 169 N HA -0.164 4.576 4.740 0.000 0.000 0.192 169 N C 1.955 177.470 175.510 0.009 0.000 1.049 169 N CA 1.633 54.686 53.050 0.004 0.000 0.845 169 N CB -0.389 38.099 38.487 0.001 0.000 1.031 169 N HN 0.444 nan 8.380 nan 0.000 0.425 170 K N 0.675 121.081 120.400 0.010 0.000 2.113 170 K HA -0.124 4.196 4.320 0.000 0.000 0.208 170 K C 1.712 178.323 176.600 0.019 0.000 1.047 170 K CA 1.567 57.863 56.287 0.014 0.000 0.928 170 K CB -0.272 32.235 32.500 0.012 0.000 0.716 170 K HN 0.161 nan 8.250 nan 0.000 0.446 171 A N 1.400 124.230 122.820 0.017 0.000 1.873 171 A HA -0.011 4.309 4.320 0.000 0.000 0.215 171 A C 2.487 180.087 177.584 0.027 0.000 1.186 171 A CA 1.870 53.919 52.037 0.019 0.000 0.616 171 A CB -0.876 18.133 19.000 0.015 0.000 0.823 171 A HN 0.526 nan 8.150 nan 0.000 0.442 172 A N -0.457 122.377 122.820 0.024 0.000 1.917 172 A HA -0.064 4.256 4.320 0.000 0.000 0.219 172 A C 2.244 179.858 177.584 0.050 0.000 1.182 172 A CA 2.008 54.063 52.037 0.029 0.000 0.633 172 A CB -1.019 17.990 19.000 0.015 0.000 0.819 172 A HN 0.415 nan 8.150 nan 0.000 0.448 173 V N 0.081 120.021 119.914 0.044 0.000 2.261 173 V HA -0.347 3.773 4.120 0.000 0.000 0.246 173 V C 2.671 178.823 176.094 0.096 0.000 1.047 173 V CA 2.310 64.650 62.300 0.067 0.000 1.015 173 V CB -0.793 31.057 31.823 0.045 0.000 0.642 173 V HN 0.594 nan 8.190 nan 0.000 0.446 174 M N -0.523 119.113 119.600 0.061 0.000 2.108 174 M HA -0.174 4.306 4.480 0.000 0.000 0.261 174 M C 2.245 178.575 176.300 0.049 0.000 1.066 174 M CA 1.619 56.948 55.300 0.049 0.000 1.107 174 M CB -0.715 31.903 32.600 0.031 0.000 1.356 174 M HN 0.257 nan 8.290 nan 0.000 0.406 175 V N -0.195 119.751 119.914 0.054 0.000 2.332 175 V HA -0.319 3.801 4.120 0.000 0.000 0.248 175 V C 2.479 178.607 176.094 0.057 0.000 1.055 175 V CA 2.151 64.479 62.300 0.046 0.000 1.038 175 V CB -1.166 30.684 31.823 0.046 0.000 0.651 175 V HN 0.554 nan 8.190 nan 0.000 0.450 176 H N -0.100 118.966 119.070 -0.007 0.000 2.290 176 H HA -0.244 4.312 4.556 0.000 0.000 0.298 176 H C 2.406 177.726 175.328 -0.012 0.000 1.087 176 H CA 2.281 58.320 56.048 -0.015 0.000 1.291 176 H CB 0.146 29.905 29.762 -0.004 0.000 1.369 176 H HN 0.378 nan 8.280 nan 0.000 0.492 177 Q N 0.520 120.281 119.800 -0.065 0.000 2.234 177 Q HA -0.092 4.248 4.340 0.000 0.000 0.206 177 Q C 2.274 178.203 176.000 -0.117 0.000 0.980 177 Q CA 0.806 56.538 55.803 -0.117 0.000 0.869 177 Q CB -0.260 28.477 28.738 -0.003 0.000 0.912 177 Q HN 0.390 nan 8.270 nan 0.000 0.436 178 L N -0.400 120.778 121.223 -0.074 0.000 2.291 178 L HA -0.040 4.300 4.340 0.000 0.000 0.214 178 L C 1.847 178.671 176.870 -0.077 0.000 1.120 178 L CA 1.526 56.335 54.840 -0.052 0.000 0.799 178 L CB -0.369 41.679 42.059 -0.018 0.000 0.925 178 L HN 0.282 nan 8.230 nan 0.000 0.446 179 S N -2.452 113.170 115.700 -0.130 0.000 2.603 179 S HA -0.016 4.454 4.470 0.000 0.000 0.220 179 S C 1.697 176.187 174.600 -0.184 0.000 0.967 179 S CA 0.080 58.195 58.200 -0.141 0.000 0.920 179 S CB -0.239 62.877 63.200 -0.141 0.000 0.773 179 S HN 0.389 nan 8.310 nan 0.000 0.529 180 K N 1.019 121.306 120.400 -0.189 0.000 2.314 180 K HA 0.131 4.451 4.320 0.000 0.000 0.198 180 K C 0.870 177.406 176.600 -0.108 0.000 1.045 180 K CA 0.765 56.952 56.287 -0.166 0.000 0.988 180 K CB -0.072 32.331 32.500 -0.160 0.000 0.783 180 K HN 0.442 nan 8.250 nan 0.000 0.484 181 K N 3.079 123.435 120.400 -0.075 0.000 2.315 181 K HA 0.001 4.321 4.320 0.000 0.000 0.291 181 K C 0.768 177.358 176.600 -0.016 0.000 1.074 181 K CA -0.141 56.124 56.287 -0.036 0.000 0.936 181 K CB -0.285 32.204 32.500 -0.019 0.000 1.049 181 K HN 0.357 nan 8.250 nan 0.000 0.471 182 E N 1.763 121.954 120.200 -0.016 0.000 2.187 182 E HA -0.284 4.066 4.350 0.000 0.000 0.199 182 E C 1.712 178.442 176.600 0.217 0.000 1.004 182 E CA 1.735 58.155 56.400 0.033 0.000 0.813 182 E CB -0.257 29.460 29.700 0.028 0.000 0.736 182 E HN 0.629 nan 8.360 nan 0.000 0.468 183 A N 0.912 123.815 122.820 0.139 0.000 1.975 183 A HA 0.030 4.351 4.320 0.000 0.000 0.215 183 A C 2.299 179.967 177.584 0.139 0.000 1.170 183 A CA 1.067 53.181 52.037 0.128 0.000 0.656 183 A CB -0.221 18.787 19.000 0.013 0.000 0.821 183 A HN 0.257 nan 8.150 nan 0.000 0.449 184 S N -0.972 114.778 115.700 0.084 0.000 2.436 184 S HA -0.075 4.395 4.470 0.000 0.000 0.228 184 S C 2.096 176.739 174.600 0.071 0.000 1.014 184 S CA 0.975 59.208 58.200 0.055 0.000 0.950 184 S CB -0.322 62.886 63.200 0.014 0.000 0.784 184 S HN 0.622 nan 8.310 nan 0.000 0.504 185 R N -0.100 120.447 120.500 0.079 0.000 2.083 185 R HA -0.164 4.176 4.340 0.000 0.000 0.237 185 R C 1.979 178.310 176.300 0.051 0.000 1.137 185 R CA 2.061 58.179 56.100 0.030 0.000 0.951 185 R CB -0.390 29.892 30.300 -0.029 0.000 0.851 185 R HN 0.477 nan 8.270 nan 0.000 0.434 186 H N -0.204 118.897 119.070 0.051 0.000 2.319 186 H HA -0.132 4.424 4.556 0.000 0.000 0.297 186 H C 1.965 177.298 175.328 0.008 0.000 1.097 186 H CA 2.028 58.090 56.048 0.023 0.000 1.285 186 H CB -0.394 29.368 29.762 0.001 0.000 1.368 186 H HN 0.436 nan 8.280 nan 0.000 0.495 187 A N 1.028 123.932 122.820 0.139 0.000 1.948 187 A HA -0.182 4.138 4.320 0.000 0.000 0.220 187 A C 2.396 180.008 177.584 0.046 0.000 1.177 187 A CA 1.700 53.780 52.037 0.072 0.000 0.636 187 A CB -0.693 18.337 19.000 0.050 0.000 0.815 187 A HN 0.346 nan 8.150 nan 0.000 0.449 188 I N 0.135 120.728 120.570 0.038 0.000 2.072 188 I HA -0.331 3.839 4.170 0.000 0.000 0.235 188 I C 2.901 179.028 176.117 0.017 0.000 1.058 188 I CA 2.240 63.552 61.300 0.021 0.000 1.320 188 I CB -0.893 37.112 38.000 0.009 0.000 1.047 188 I HN 0.589 nan 8.210 nan 0.000 0.397 189 M N 0.420 120.025 119.600 0.008 0.000 2.260 189 M HA -0.216 4.264 4.480 0.000 0.000 0.261 189 M C 2.195 178.503 176.300 0.013 0.000 1.066 189 M CA 1.808 57.112 55.300 0.006 0.000 1.082 189 M CB -0.818 31.773 32.600 -0.014 0.000 1.388 189 M HN 0.159 nan 8.290 nan 0.000 0.419 190 R N 1.267 121.779 120.500 0.019 0.000 2.313 190 R HA 0.096 4.436 4.340 0.000 0.000 0.199 190 R C -0.013 176.300 176.300 0.021 0.000 0.958 190 R CA 0.575 56.688 56.100 0.022 0.000 1.047 190 R CB 0.216 30.535 30.300 0.031 0.000 0.955 190 R HN 0.378 nan 8.270 nan 0.000 0.481 191 S N 1.056 116.768 115.700 0.020 0.000 2.577 191 S HA 0.350 4.820 4.470 0.000 0.000 0.294 191 S C -2.016 172.594 174.600 0.016 0.000 1.161 191 S CA -1.866 56.344 58.200 0.017 0.000 1.143 191 S CB 1.685 64.895 63.200 0.016 0.000 0.991 191 S HN 0.035 nan 8.310 nan 0.000 0.475 192 P HA -0.171 nan 4.420 nan 0.000 0.217 192 P C 1.164 178.470 177.300 0.010 0.000 1.151 192 P CA 1.254 64.362 63.100 0.014 0.000 0.849 192 P CB 0.114 31.821 31.700 0.013 0.000 0.787 193 Q N -1.710 118.096 119.800 0.009 0.000 2.181 193 Q HA -0.170 4.170 4.340 0.000 0.000 0.205 193 Q C 2.177 178.182 176.000 0.009 0.000 0.980 193 Q CA 1.644 57.451 55.803 0.008 0.000 0.862 193 Q CB -0.788 27.954 28.738 0.007 0.000 0.905 193 Q HN 0.293 nan 8.270 nan 0.000 0.429 194 M N -0.823 118.784 119.600 0.011 0.000 2.191 194 M HA -0.072 4.408 4.480 0.000 0.000 0.262 194 M C 1.712 178.020 176.300 0.013 0.000 1.083 194 M CA 1.074 56.381 55.300 0.012 0.000 1.154 194 M CB 0.003 32.611 32.600 0.014 0.000 1.344 194 M HN 0.034 nan 8.290 nan 0.000 0.431 195 V N -0.293 119.629 119.914 0.015 0.000 2.287 195 V HA -0.269 3.851 4.120 0.000 0.000 0.248 195 V C 2.498 178.599 176.094 0.012 0.000 1.053 195 V CA 2.169 64.479 62.300 0.016 0.000 1.027 195 V CB -1.305 30.531 31.823 0.021 0.000 0.646 195 V HN 0.619 nan 8.190 nan 0.000 0.447 196 S N -0.577 115.128 115.700 0.007 0.000 2.370 196 S HA -0.210 4.260 4.470 0.000 0.000 0.226 196 S C 2.171 176.772 174.600 0.002 0.000 1.033 196 S CA 1.582 59.782 58.200 0.001 0.000 1.011 196 S CB -0.407 62.792 63.200 -0.001 0.000 0.852 196 S HN 0.655 nan 8.310 nan 0.000 0.457 197 A N 1.203 124.026 122.820 0.005 0.000 1.902 197 A HA -0.035 4.285 4.320 0.000 0.000 0.217 197 A C 2.040 179.628 177.584 0.008 0.000 1.181 197 A CA 1.380 53.420 52.037 0.006 0.000 0.623 197 A CB -0.697 18.308 19.000 0.008 0.000 0.818 197 A HN 0.584 nan 8.150 nan 0.000 0.443 198 I N -0.373 120.204 120.570 0.011 0.000 2.179 198 I HA -0.224 3.946 4.170 0.000 0.000 0.242 198 I C 2.360 178.484 176.117 0.012 0.000 1.088 198 I CA 1.313 62.622 61.300 0.014 0.000 1.357 198 I CB -0.500 37.511 38.000 0.020 0.000 1.051 198 I HN 0.158 nan 8.210 nan 0.000 0.409 199 V N 1.122 121.042 119.914 0.010 0.000 2.295 199 V HA -0.320 3.800 4.120 0.000 0.000 0.246 199 V C 3.175 179.270 176.094 0.002 0.000 1.049 199 V CA 2.641 64.945 62.300 0.007 0.000 1.024 199 V CB -1.382 30.441 31.823 0.001 0.000 0.648 199 V HN 0.528 nan 8.190 nan 0.000 0.447 200 R N -0.089 120.410 120.500 -0.001 0.000 2.127 200 R HA -0.206 4.134 4.340 0.000 0.000 0.238 200 R C 2.208 178.507 176.300 -0.000 0.000 1.134 200 R CA 2.286 58.384 56.100 -0.003 0.000 0.975 200 R CB -1.876 28.422 30.300 -0.004 0.000 0.865 200 R HN 0.628 nan 8.270 nan 0.000 0.447 201 T N 0.269 114.825 114.554 0.002 0.000 2.809 201 T HA -0.039 4.311 4.350 0.000 0.000 0.260 201 T C 2.042 176.744 174.700 0.002 0.000 1.039 201 T CA 1.292 63.393 62.100 0.002 0.000 1.141 201 T CB -0.244 68.626 68.868 0.004 0.000 0.869 201 T HN 0.442 nan 8.240 nan 0.000 0.437 202 M N 1.057 120.660 119.600 0.005 0.000 2.149 202 M HA -0.184 4.296 4.480 0.000 0.000 0.261 202 M C 2.345 178.648 176.300 0.005 0.000 1.064 202 M CA 1.710 57.013 55.300 0.006 0.000 1.102 202 M CB -0.243 32.365 32.600 0.013 0.000 1.369 202 M HN 0.250 nan 8.290 nan 0.000 0.408 203 Q N -0.424 119.378 119.800 0.004 0.000 2.311 203 Q HA -0.116 4.224 4.340 0.000 0.000 0.203 203 Q C 1.032 177.032 176.000 -0.001 0.000 0.954 203 Q CA 1.179 56.983 55.803 0.002 0.000 0.885 203 Q CB 0.260 28.998 28.738 -0.000 0.000 0.963 203 Q HN 0.548 nan 8.270 nan 0.000 0.471 204 N N -0.236 118.464 118.700 -0.001 0.000 2.420 204 N HA -0.032 4.708 4.740 0.000 0.000 0.185 204 N C 0.306 175.814 175.510 -0.003 0.000 1.033 204 N CA 0.786 53.834 53.050 -0.003 0.000 0.879 204 N CB -0.610 37.875 38.487 -0.002 0.000 1.071 204 N HN 0.078 nan 8.380 nan 0.000 0.437 205 T N 0.737 115.289 114.554 -0.003 0.000 2.870 205 T HA -0.138 4.212 4.350 0.000 0.000 0.311 205 T C 0.868 175.564 174.700 -0.007 0.000 1.052 205 T CA 0.633 62.731 62.100 -0.005 0.000 1.131 205 T CB 0.117 68.982 68.868 -0.005 0.000 1.082 205 T HN 0.105 nan 8.240 nan 0.000 0.511 206 N N 1.717 120.412 118.700 -0.008 0.000 2.184 206 N HA 0.150 4.890 4.740 0.000 0.000 0.206 206 N C -0.554 174.949 175.510 -0.013 0.000 1.151 206 N CA -0.132 52.912 53.050 -0.010 0.000 0.878 206 N CB 0.349 38.831 38.487 -0.009 0.000 1.014 206 N HN 0.673 nan 8.380 nan 0.000 0.512 207 D N -0.385 120.007 120.400 -0.012 0.000 2.210 207 D HA 0.086 4.726 4.640 0.000 0.000 0.249 207 D C 1.487 177.776 176.300 -0.020 0.000 1.062 207 D CA -0.283 53.708 54.000 -0.015 0.000 0.891 207 D CB 1.836 42.628 40.800 -0.012 0.000 1.186 207 D HN -0.076 nan 8.370 nan 0.000 0.432 208 V N 0.750 120.649 119.914 -0.025 0.000 3.573 208 V HA 0.128 4.248 4.120 0.000 0.000 0.270 208 V C 1.365 177.438 176.094 -0.034 0.000 1.221 208 V CA 0.670 62.950 62.300 -0.033 0.000 1.163 208 V CB 0.013 31.811 31.823 -0.041 0.000 0.847 208 V HN 0.402 nan 8.190 nan 0.000 0.468 209 E N 1.697 121.880 120.200 -0.028 0.000 2.201 209 E HA 0.010 4.360 4.350 0.000 0.000 0.193 209 E C 2.063 178.642 176.600 -0.034 0.000 0.957 209 E CA 1.673 58.054 56.400 -0.030 0.000 0.858 209 E CB -0.451 29.236 29.700 -0.022 0.000 0.816 209 E HN 0.625 nan 8.360 nan 0.000 0.475 210 T N 0.465 115.005 114.554 -0.025 0.000 2.788 210 T HA -0.069 4.281 4.350 0.000 0.000 0.268 210 T C 1.864 176.550 174.700 -0.024 0.000 1.044 210 T CA 1.414 63.501 62.100 -0.021 0.000 1.139 210 T CB -0.417 68.444 68.868 -0.012 0.000 0.867 210 T HN 0.266 nan 8.240 nan 0.000 0.454 211 A N 2.137 124.946 122.820 -0.019 0.000 1.845 211 A HA -0.111 4.209 4.320 0.000 0.000 0.215 211 A C 2.321 179.908 177.584 0.005 0.000 1.195 211 A CA 1.846 53.879 52.037 -0.007 0.000 0.616 211 A CB -0.760 18.233 19.000 -0.012 0.000 0.832 211 A HN 0.437 nan 8.150 nan 0.000 0.443 212 R N -0.455 120.042 120.500 -0.005 0.000 2.122 212 R HA -0.238 4.102 4.340 0.000 0.000 0.236 212 R C 2.270 178.550 176.300 -0.034 0.000 1.129 212 R CA 2.495 58.614 56.100 0.032 0.000 0.925 212 R CB -1.078 29.212 30.300 -0.018 0.000 0.850 212 R HN 0.579 nan 8.270 nan 0.000 0.431 213 C N 0.154 119.348 119.300 -0.178 0.000 2.440 213 C HA -0.147 4.313 4.460 0.000 0.000 0.282 213 C C 2.983 177.858 174.990 -0.192 0.000 1.223 213 C CA 1.785 60.570 59.018 -0.388 0.000 1.744 213 C CB -1.428 26.181 27.740 -0.218 0.000 2.061 213 C HN 0.800 nan 8.230 nan 0.000 0.456 214 T N 0.438 114.955 114.554 -0.062 0.000 2.848 214 T HA -0.178 4.172 4.350 0.000 0.000 0.269 214 T C 1.612 176.307 174.700 -0.008 0.000 1.081 214 T CA 1.897 63.992 62.100 -0.009 0.000 1.125 214 T CB -0.417 68.452 68.868 0.002 0.000 0.848 214 T HN 0.613 nan 8.240 nan 0.000 0.503 215 A N 1.597 124.404 122.820 -0.022 0.000 1.878 215 A HA 0.452 4.772 4.320 0.000 0.000 0.213 215 A C 2.757 180.229 177.584 -0.187 0.000 1.192 215 A CA 1.080 53.113 52.037 -0.006 0.000 0.619 215 A CB -1.379 17.690 19.000 0.115 0.000 0.837 215 A HN 0.572 nan 8.150 nan 0.000 0.446 216 G N -0.726 107.800 108.800 -0.457 0.000 2.422 216 G HA2 -0.148 3.812 3.960 0.000 0.000 0.218 216 G HA3 -0.148 3.812 3.960 0.000 0.000 0.218 216 G C 1.533 176.333 174.900 -0.167 0.000 1.146 216 G CA 1.733 46.307 45.100 -0.876 0.000 0.769 216 G HN 0.419 nan 8.290 nan 0.000 0.547 217 T N 1.350 115.951 114.554 0.078 0.000 2.614 217 T HA -0.169 4.181 4.350 0.000 0.000 0.263 217 T C 2.182 176.887 174.700 0.008 0.000 1.055 217 T CA 1.345 63.491 62.100 0.077 0.000 1.162 217 T CB -0.393 68.534 68.868 0.098 0.000 0.863 217 T HN 0.193 nan 8.240 nan 0.000 0.414 218 L N 0.940 122.178 121.223 0.025 0.000 2.349 218 L HA -0.083 4.257 4.340 0.000 0.000 0.220 218 L C 2.028 178.965 176.870 0.112 0.000 1.130 218 L CA 1.762 56.634 54.840 0.053 0.000 0.791 218 L CB -0.992 41.098 42.059 0.051 0.000 0.918 218 L HN 0.507 nan 8.230 nan 0.000 0.444 219 H N -1.217 117.835 119.070 -0.030 0.000 2.384 219 H HA -0.043 4.513 4.556 0.000 0.000 0.300 219 H C 1.410 176.837 175.328 0.165 0.000 1.057 219 H CA 0.817 56.891 56.048 0.043 0.000 1.370 219 H CB 0.329 30.048 29.762 -0.073 0.000 1.417 219 H HN 0.355 nan 8.280 nan 0.000 0.527 220 N N 0.909 119.525 118.700 -0.139 0.000 2.443 220 N HA -0.089 4.651 4.740 0.000 0.000 0.184 220 N C 1.885 177.225 175.510 -0.284 0.000 1.037 220 N CA 0.589 53.438 53.050 -0.334 0.000 0.896 220 N CB 0.092 38.398 38.487 -0.302 0.000 0.959 220 N HN 0.477 nan 8.380 nan 0.000 0.442 221 L N 0.170 121.358 121.223 -0.059 0.000 2.298 221 L HA 0.016 4.356 4.340 0.000 0.000 0.209 221 L C 2.351 179.288 176.870 0.111 0.000 1.084 221 L CA 0.483 55.326 54.840 0.004 0.000 0.816 221 L CB -0.465 41.609 42.059 0.025 0.000 0.967 221 L HN 0.128 nan 8.230 nan 0.000 0.460 222 S N 0.119 115.943 115.700 0.206 0.000 2.374 222 S HA -0.268 4.202 4.470 0.000 0.000 0.227 222 S C 1.595 176.410 174.600 0.359 0.000 1.037 222 S CA 1.613 59.970 58.200 0.263 0.000 1.024 222 S CB -1.062 62.315 63.200 0.294 0.000 0.861 222 S HN 0.689 nan 8.310 nan 0.000 0.456 223 H N -0.866 118.277 119.070 0.121 0.000 2.547 223 H HA 0.382 4.938 4.556 0.000 0.000 0.274 223 H C 0.224 175.655 175.328 0.172 0.000 1.024 223 H CA -0.207 55.926 56.048 0.141 0.000 1.155 223 H CB -0.155 29.643 29.762 0.059 0.000 1.344 223 H HN 0.368 nan 8.280 nan 0.000 0.598 224 H N 0.591 119.698 119.070 0.063 0.000 2.679 224 H HA 0.205 4.761 4.556 0.000 0.000 0.367 224 H C 1.044 176.369 175.328 -0.005 0.000 1.162 224 H CA -1.305 54.717 56.048 -0.043 0.000 1.181 224 H CB 1.676 31.323 29.762 -0.192 0.000 1.693 224 H HN 0.123 nan 8.280 nan 0.000 0.538 225 R N 1.606 122.072 120.500 -0.057 0.000 2.410 225 R HA -0.236 4.104 4.340 0.000 0.000 0.207 225 R C 1.513 177.811 176.300 -0.004 0.000 1.020 225 R CA 2.453 58.527 56.100 -0.044 0.000 0.796 225 R CB -0.906 29.320 30.300 -0.123 0.000 0.771 225 R HN 0.660 nan 8.270 nan 0.000 0.435 226 E N -0.163 120.015 120.200 -0.036 0.000 2.187 226 E HA -0.097 4.253 4.350 0.000 0.000 0.199 226 E C 1.791 178.405 176.600 0.023 0.000 1.004 226 E CA 1.801 58.200 56.400 -0.002 0.000 0.813 226 E CB -1.036 28.656 29.700 -0.013 0.000 0.736 226 E HN 0.588 nan 8.360 nan 0.000 0.468 227 G N 1.119 109.931 108.800 0.021 0.000 2.802 227 G HA2 -0.353 3.607 3.960 0.000 0.000 0.222 227 G HA3 -0.353 3.607 3.960 0.000 0.000 0.222 227 G C 1.519 176.465 174.900 0.077 0.000 1.248 227 G CA 1.954 47.089 45.100 0.058 0.000 0.787 227 G HN 0.376 nan 8.290 nan 0.000 0.643 228 L N -0.538 120.734 121.223 0.081 0.000 1.970 228 L HA -0.038 4.302 4.340 0.000 0.000 0.212 228 L C 2.734 179.658 176.870 0.090 0.000 1.071 228 L CA 0.781 55.654 54.840 0.056 0.000 0.751 228 L CB -1.244 40.816 42.059 0.000 0.000 0.889 228 L HN 0.178 nan 8.230 nan 0.000 0.432 229 L N 0.710 121.974 121.223 0.070 0.000 1.976 229 L HA -0.287 4.053 4.340 0.000 0.000 0.223 229 L C 2.803 179.769 176.870 0.159 0.000 1.081 229 L CA 2.274 57.175 54.840 0.101 0.000 0.784 229 L CB -1.316 40.778 42.059 0.058 0.000 0.896 229 L HN 0.314 nan 8.230 nan 0.000 0.438 230 A N -0.308 122.571 122.820 0.099 0.000 1.852 230 A HA -0.290 4.030 4.320 0.000 0.000 0.217 230 A C 2.290 179.929 177.584 0.093 0.000 1.215 230 A CA 2.627 54.712 52.037 0.080 0.000 0.641 230 A CB -1.180 17.851 19.000 0.051 0.000 0.838 230 A HN 0.543 nan 8.150 nan 0.000 0.450 231 I N -1.825 118.801 120.570 0.094 0.000 2.229 231 I HA -0.312 3.858 4.170 0.000 0.000 0.250 231 I C 2.239 178.424 176.117 0.113 0.000 1.096 231 I CA 1.893 63.246 61.300 0.090 0.000 1.358 231 I CB -0.419 37.638 38.000 0.094 0.000 1.047 231 I HN 0.536 nan 8.210 nan 0.000 0.422 232 F N 2.230 122.180 119.950 -0.001 0.000 1.980 232 F HA -0.254 4.273 4.527 0.000 0.000 0.297 232 F C 2.313 178.113 175.800 -0.000 0.000 1.285 232 F CA 1.450 59.447 58.000 -0.005 0.000 1.168 232 F CB -0.303 38.691 39.000 -0.010 0.000 0.959 232 F HN -0.177 nan 8.300 nan 0.000 0.503 233 K N 0.335 120.717 120.400 -0.029 0.000 2.638 233 K HA -0.174 4.146 4.320 0.000 0.000 0.196 233 K C 0.838 177.370 176.600 -0.113 0.000 1.046 233 K CA 1.103 57.316 56.287 -0.122 0.000 0.925 233 K CB -1.037 31.513 32.500 0.084 0.000 0.773 233 K HN 0.323 nan 8.250 nan 0.000 0.499 234 S N -1.239 114.400 115.700 -0.102 0.000 2.730 234 S HA 0.344 4.814 4.470 0.000 0.000 0.244 234 S C 1.024 175.576 174.600 -0.080 0.000 1.022 234 S CA -0.277 57.884 58.200 -0.065 0.000 1.014 234 S CB 1.008 64.196 63.200 -0.019 0.000 0.963 234 S HN 0.457 nan 8.310 nan 0.000 0.540 235 G N 0.980 109.698 108.800 -0.137 0.000 2.132 235 G HA2 -0.192 3.768 3.960 0.000 0.000 0.234 235 G HA3 -0.192 3.768 3.960 0.000 0.000 0.234 235 G C 0.909 175.765 174.900 -0.074 0.000 0.989 235 G CA 0.074 45.105 45.100 -0.114 0.000 0.676 235 G HN 0.820 nan 8.290 nan 0.000 0.522 236 G N 0.234 108.997 108.800 -0.062 0.000 2.422 236 G HA2 -0.019 3.941 3.960 0.000 0.000 0.218 236 G HA3 -0.019 3.941 3.960 0.000 0.000 0.218 236 G C 1.740 176.643 174.900 0.005 0.000 1.146 236 G CA 1.397 46.492 45.100 -0.009 0.000 0.769 236 G HN 0.621 nan 8.290 nan 0.000 0.547 237 I N 1.179 121.745 120.570 -0.006 0.000 2.233 237 I HA -0.039 4.131 4.170 0.000 0.000 0.243 237 I C -0.167 175.955 176.117 0.008 0.000 1.093 237 I CA 0.596 61.907 61.300 0.020 0.000 1.380 237 I CB -0.587 37.437 38.000 0.041 0.000 1.067 237 I HN 0.118 nan 8.210 nan 0.000 0.413 238 P HA -0.212 nan 4.420 nan 0.000 0.215 238 P C 1.468 178.769 177.300 0.002 0.000 1.157 238 P CA 1.930 65.024 63.100 -0.010 0.000 0.874 238 P CB -0.031 31.652 31.700 -0.028 0.000 0.790 239 A N -0.974 121.846 122.820 -0.001 0.000 1.972 239 A HA -0.147 4.173 4.320 0.000 0.000 0.219 239 A C 2.170 179.767 177.584 0.022 0.000 1.169 239 A CA 1.359 53.401 52.037 0.007 0.000 0.635 239 A CB -1.566 17.436 19.000 0.004 0.000 0.810 239 A HN 0.127 nan 8.150 nan 0.000 0.446 240 L N -0.734 120.507 121.223 0.030 0.000 2.109 240 L HA -0.085 4.255 4.340 0.000 0.000 0.207 240 L C 2.298 179.199 176.870 0.051 0.000 1.086 240 L CA 0.636 55.504 54.840 0.047 0.000 0.760 240 L CB -0.391 41.702 42.059 0.056 0.000 0.910 240 L HN 0.215 nan 8.230 nan 0.000 0.437 241 V N -0.024 119.916 119.914 0.042 0.000 2.759 241 V HA -0.223 3.897 4.120 0.000 0.000 0.256 241 V C 2.512 178.630 176.094 0.040 0.000 1.080 241 V CA 1.354 63.681 62.300 0.045 0.000 1.101 241 V CB -0.521 31.324 31.823 0.036 0.000 0.698 241 V HN 0.407 nan 8.190 nan 0.000 0.477 242 K N 0.079 120.497 120.400 0.030 0.000 2.062 242 K HA -0.091 4.229 4.320 0.000 0.000 0.205 242 K C 1.997 178.612 176.600 0.025 0.000 1.051 242 K CA 1.135 57.435 56.287 0.023 0.000 0.941 242 K CB -0.091 32.418 32.500 0.014 0.000 0.719 242 K HN 0.277 nan 8.250 nan 0.000 0.440 243 M N 1.255 120.874 119.600 0.031 0.000 2.706 243 M HA -0.085 4.395 4.480 0.000 0.000 0.251 243 M C 1.618 177.940 176.300 0.037 0.000 1.070 243 M CA 0.908 56.226 55.300 0.030 0.000 1.073 243 M CB -0.577 32.048 32.600 0.043 0.000 1.449 243 M HN 0.138 nan 8.290 nan 0.000 0.531 244 L N -1.009 120.246 121.223 0.053 0.000 2.554 244 L HA 0.056 4.396 4.340 0.000 0.000 0.226 244 L C 1.936 178.834 176.870 0.046 0.000 1.137 244 L CA 0.159 55.045 54.840 0.076 0.000 0.863 244 L CB -0.413 41.707 42.059 0.102 0.000 0.985 244 L HN 0.328 nan 8.230 nan 0.000 0.451 245 G N -1.222 107.591 108.800 0.022 0.000 3.337 245 G HA2 -0.011 3.949 3.960 0.000 0.000 0.246 245 G HA3 -0.011 3.949 3.960 0.000 0.000 0.246 245 G C 0.462 175.352 174.900 -0.016 0.000 1.131 245 G CA -0.069 45.035 45.100 0.007 0.000 0.773 245 G HN 0.159 nan 8.290 nan 0.000 0.544 246 S N 1.095 116.778 115.700 -0.028 0.000 2.565 246 S HA 0.387 4.857 4.470 0.000 0.000 0.276 246 S C -0.618 173.928 174.600 -0.090 0.000 1.326 246 S CA -1.072 57.096 58.200 -0.054 0.000 1.045 246 S CB 1.759 64.924 63.200 -0.059 0.000 0.918 246 S HN 0.107 nan 8.310 nan 0.000 0.505 247 P HA 0.137 nan 4.420 nan 0.000 0.239 247 P C -0.203 177.006 177.300 -0.151 0.000 1.188 247 P CA 0.161 63.197 63.100 -0.108 0.000 0.794 247 P CB 0.040 31.694 31.700 -0.076 0.000 0.937 248 V N 3.332 123.151 119.914 -0.159 0.000 2.387 248 V HA 0.021 4.141 4.120 0.000 0.000 0.260 248 V C 1.533 177.425 176.094 -0.336 0.000 1.054 248 V CA 0.166 62.344 62.300 -0.203 0.000 0.967 248 V CB 0.167 31.896 31.823 -0.156 0.000 1.036 248 V HN 0.022 nan 8.190 nan 0.000 0.481 249 D N 3.166 123.294 120.400 -0.453 0.000 2.157 249 D HA -0.205 4.435 4.640 0.000 0.000 0.191 249 D C 2.126 177.676 176.300 -1.251 0.000 1.004 249 D CA 2.174 55.642 54.000 -0.888 0.000 0.854 249 D CB 0.094 40.417 40.800 -0.795 0.000 0.936 249 D HN 0.699 nan 8.370 nan 0.000 0.446 250 S N 0.595 115.833 115.700 -0.770 0.000 2.359 250 S HA -0.138 4.332 4.470 0.000 0.000 0.224 250 S C 2.398 176.706 174.600 -0.487 0.000 1.035 250 S CA 1.024 58.832 58.200 -0.654 0.000 1.018 250 S CB -0.765 62.196 63.200 -0.399 0.000 0.876 250 S HN 0.114 nan 8.310 nan 0.000 0.448 251 V N 2.079 121.829 119.914 -0.274 0.000 2.594 251 V HA -0.098 4.022 4.120 0.000 0.000 0.253 251 V C 2.258 178.317 176.094 -0.059 0.000 1.069 251 V CA 1.233 63.491 62.300 -0.070 0.000 1.082 251 V CB -0.887 30.903 31.823 -0.055 0.000 0.680 251 V HN 0.395 nan 8.190 nan 0.000 0.469 252 L N -1.045 120.047 121.223 -0.217 0.000 1.988 252 L HA -0.105 4.235 4.340 0.000 0.000 0.207 252 L C 2.466 179.463 176.870 0.212 0.000 1.071 252 L CA 1.955 56.752 54.840 -0.072 0.000 0.744 252 L CB -0.562 41.323 42.059 -0.290 0.000 0.893 252 L HN 0.266 nan 8.230 nan 0.000 0.433 253 F N -1.382 118.560 119.950 -0.012 0.000 2.126 253 F HA -0.331 4.196 4.527 0.000 0.000 0.299 253 F C 2.438 178.247 175.800 0.014 0.000 1.096 253 F CA 0.961 58.972 58.000 0.019 0.000 1.255 253 F CB -0.580 38.358 39.000 -0.102 0.000 0.997 253 F HN 0.092 nan 8.300 nan 0.000 0.479 254 Y N 0.257 120.623 120.300 0.110 0.000 2.224 254 Y HA -0.239 4.311 4.550 0.000 0.000 0.289 254 Y C 2.606 178.486 175.900 -0.034 0.000 1.146 254 Y CA 0.242 58.325 58.100 -0.028 0.000 1.182 254 Y CB -0.289 38.198 38.460 0.044 0.000 0.983 254 Y HN 0.061 nan 8.280 nan 0.000 0.524 255 A N 0.337 123.283 122.820 0.209 0.000 1.826 255 A HA -0.181 4.139 4.320 0.000 0.000 0.214 255 A C 2.016 179.675 177.584 0.125 0.000 1.212 255 A CA 1.348 53.471 52.037 0.145 0.000 0.605 255 A CB -1.003 18.077 19.000 0.133 0.000 0.861 255 A HN 0.316 nan 8.150 nan 0.000 0.447 256 I N 0.550 121.222 120.570 0.171 0.000 2.143 256 I HA -0.251 3.919 4.170 0.000 0.000 0.245 256 I C 2.515 178.666 176.117 0.057 0.000 1.068 256 I CA 2.335 63.708 61.300 0.121 0.000 1.326 256 I CB -1.195 36.906 38.000 0.169 0.000 1.028 256 I HN 0.363 nan 8.210 nan 0.000 0.412 257 T N -0.978 113.591 114.554 0.026 0.000 2.788 257 T HA -0.170 4.180 4.350 0.000 0.000 0.268 257 T C 1.858 176.564 174.700 0.011 0.000 1.044 257 T CA 1.924 64.001 62.100 -0.039 0.000 1.139 257 T CB -0.360 68.391 68.868 -0.194 0.000 0.867 257 T HN 0.343 nan 8.240 nan 0.000 0.454 258 T N 0.908 115.465 114.554 0.006 0.000 3.055 258 T HA 0.156 4.506 4.350 0.000 0.000 0.265 258 T C 1.678 176.425 174.700 0.079 0.000 1.111 258 T CA 0.375 62.529 62.100 0.090 0.000 1.118 258 T CB -0.174 68.766 68.868 0.120 0.000 0.909 258 T HN 0.118 nan 8.240 nan 0.000 0.501 259 L N -0.257 121.013 121.223 0.078 0.000 2.270 259 L HA 0.134 4.474 4.340 0.000 0.000 0.210 259 L C 2.310 179.221 176.870 0.069 0.000 1.104 259 L CA 0.991 55.871 54.840 0.065 0.000 0.804 259 L CB -0.331 41.770 42.059 0.069 0.000 0.937 259 L HN 0.380 nan 8.230 nan 0.000 0.450 260 H N -0.183 118.880 119.070 -0.012 0.000 2.357 260 H HA -0.139 4.417 4.556 0.000 0.000 0.301 260 H C 1.802 177.131 175.328 0.002 0.000 1.082 260 H CA 2.071 58.111 56.048 -0.014 0.000 1.342 260 H CB 0.312 30.062 29.762 -0.020 0.000 1.389 260 H HN 0.419 nan 8.280 nan 0.000 0.511 261 N N 0.234 118.956 118.700 0.037 0.000 2.058 261 N HA -0.138 4.602 4.740 0.000 0.000 0.191 261 N C 2.293 177.575 175.510 -0.382 0.000 1.037 261 N CA 1.185 54.226 53.050 -0.015 0.000 0.848 261 N CB -0.041 38.499 38.487 0.089 0.000 1.021 261 N HN 0.207 nan 8.380 nan 0.000 0.422 262 L N 0.794 121.863 121.223 -0.258 0.000 1.990 262 L HA -0.220 4.120 4.340 0.000 0.000 0.213 262 L C 2.155 178.883 176.870 -0.237 0.000 1.072 262 L CA 1.151 55.828 54.840 -0.272 0.000 0.755 262 L CB -0.597 41.422 42.059 -0.067 0.000 0.889 262 L HN 0.263 nan 8.230 nan 0.000 0.432 263 L N -0.861 120.276 121.223 -0.142 0.000 2.079 263 L HA -0.268 4.072 4.340 0.000 0.000 0.210 263 L C 2.585 179.383 176.870 -0.121 0.000 1.081 263 L CA 0.931 55.705 54.840 -0.110 0.000 0.752 263 L CB -0.480 41.527 42.059 -0.087 0.000 0.896 263 L HN 0.334 nan 8.230 nan 0.000 0.433 264 L N -0.615 120.529 121.223 -0.132 0.000 2.017 264 L HA -0.190 4.150 4.340 0.000 0.000 0.208 264 L C 2.522 179.505 176.870 0.189 0.000 1.073 264 L CA 1.788 56.646 54.840 0.030 0.000 0.745 264 L CB -1.059 41.084 42.059 0.140 0.000 0.894 264 L HN 0.507 nan 8.230 nan 0.000 0.432 265 H N -1.761 117.255 119.070 -0.089 0.000 2.917 265 H HA 0.123 4.679 4.556 0.000 0.000 0.247 265 H C 0.688 175.951 175.328 -0.107 0.000 1.237 265 H CA -0.753 55.248 56.048 -0.079 0.000 1.711 265 H CB -1.181 28.548 29.762 -0.054 0.000 1.466 265 H HN -0.094 nan 8.280 nan 0.000 0.560 266 Q N 3.248 122.964 119.800 -0.141 0.000 3.252 266 Q HA -0.156 4.184 4.340 0.000 0.000 0.402 266 Q C 0.652 176.468 176.000 -0.307 0.000 1.131 266 Q CA 0.605 56.250 55.803 -0.263 0.000 1.152 266 Q CB 0.292 28.829 28.738 -0.336 0.000 1.184 266 Q HN 0.663 nan 8.270 nan 0.000 0.516 267 E N 3.032 123.000 120.200 -0.386 0.000 4.503 267 E HA -0.099 4.251 4.350 0.000 0.000 0.581 267 E C 0.836 177.243 176.600 -0.322 0.000 1.030 267 E CA 0.228 56.440 56.400 -0.314 0.000 3.954 267 E CB -0.650 28.880 29.700 -0.282 0.000 1.941 267 E HN 0.820 nan 8.360 nan 0.000 0.309 268 G N 0.109 108.782 108.800 -0.210 0.000 2.941 268 G HA2 -0.080 3.880 3.960 0.000 0.000 0.223 268 G HA3 -0.080 3.880 3.960 0.000 0.000 0.223 268 G C 0.752 175.753 174.900 0.168 0.000 0.833 268 G CA 0.734 45.852 45.100 0.031 0.000 1.742 268 G HN 0.561 nan 8.290 nan 0.000 0.567 269 A N 0.217 123.052 122.820 0.025 0.000 1.887 269 A HA 0.191 4.511 4.320 0.000 0.000 0.212 269 A C 2.301 179.933 177.584 0.080 0.000 1.198 269 A CA 1.416 53.514 52.037 0.102 0.000 0.628 269 A CB -0.104 18.882 19.000 -0.022 0.000 0.847 269 A HN 0.413 nan 8.150 nan 0.000 0.449 270 K N -0.745 119.675 120.400 0.034 0.000 2.020 270 K HA -0.188 4.132 4.320 0.000 0.000 0.212 270 K C 2.163 178.792 176.600 0.047 0.000 1.050 270 K CA 1.955 58.262 56.287 0.032 0.000 0.929 270 K CB -0.301 32.212 32.500 0.021 0.000 0.714 270 K HN 0.576 nan 8.250 nan 0.000 0.443 271 M N 0.309 119.943 119.600 0.057 0.000 2.229 271 M HA -0.141 4.339 4.480 0.000 0.000 0.264 271 M C 2.055 178.395 176.300 0.066 0.000 1.063 271 M CA 1.556 56.891 55.300 0.057 0.000 1.114 271 M CB -0.038 32.598 32.600 0.061 0.000 1.387 271 M HN 0.179 nan 8.290 nan 0.000 0.420 272 A N -0.346 122.536 122.820 0.103 0.000 1.898 272 A HA -0.089 4.231 4.320 0.000 0.000 0.216 272 A C 2.003 179.622 177.584 0.058 0.000 1.181 272 A CA 1.670 53.762 52.037 0.091 0.000 0.620 272 A CB -1.020 18.081 19.000 0.167 0.000 0.819 272 A HN 0.396 nan 8.150 nan 0.000 0.442 273 V N -0.141 119.812 119.914 0.064 0.000 2.407 273 V HA -0.261 3.859 4.120 0.000 0.000 0.248 273 V C 2.621 178.736 176.094 0.035 0.000 1.055 273 V CA 2.244 64.572 62.300 0.046 0.000 1.049 273 V CB -0.812 31.037 31.823 0.044 0.000 0.662 273 V HN 0.518 nan 8.190 nan 0.000 0.455 274 R N -0.497 120.024 120.500 0.035 0.000 2.082 274 R HA -0.133 4.207 4.340 0.000 0.000 0.234 274 R C 2.361 178.674 176.300 0.022 0.000 1.136 274 R CA 1.731 57.847 56.100 0.027 0.000 0.935 274 R CB -0.470 29.845 30.300 0.026 0.000 0.842 274 R HN 0.381 nan 8.270 nan 0.000 0.430 275 L N -0.070 121.166 121.223 0.022 0.000 2.079 275 L HA -0.179 4.161 4.340 0.000 0.000 0.210 275 L C 2.291 179.167 176.870 0.010 0.000 1.081 275 L CA 1.239 56.087 54.840 0.014 0.000 0.752 275 L CB -0.415 41.650 42.059 0.010 0.000 0.896 275 L HN 0.325 nan 8.230 nan 0.000 0.433 276 A N -0.429 122.398 122.820 0.013 0.000 2.248 276 A HA 0.118 4.438 4.320 0.000 0.000 0.210 276 A C 1.564 179.158 177.584 0.016 0.000 1.174 276 A CA 0.812 52.856 52.037 0.011 0.000 0.750 276 A CB -0.749 18.259 19.000 0.013 0.000 0.780 276 A HN 0.579 nan 8.150 nan 0.000 0.478 277 G N -1.811 106.999 108.800 0.017 0.000 2.256 277 G HA2 -0.120 3.840 3.960 0.000 0.000 0.272 277 G HA3 -0.120 3.840 3.960 0.000 0.000 0.272 277 G C 1.006 175.920 174.900 0.025 0.000 1.076 277 G CA 0.520 45.631 45.100 0.019 0.000 0.882 277 G HN 1.198 nan 8.290 nan 0.000 0.497 278 G N -0.363 108.454 108.800 0.028 0.000 2.421 278 G HA2 0.078 4.038 3.960 0.000 0.000 0.217 278 G HA3 0.078 4.038 3.960 0.000 0.000 0.217 278 G C 1.819 176.738 174.900 0.032 0.000 1.143 278 G CA 1.095 46.215 45.100 0.033 0.000 0.784 278 G HN 0.613 nan 8.290 nan 0.000 0.541 279 L N -0.091 121.148 121.223 0.026 0.000 2.017 279 L HA -0.161 4.179 4.340 0.000 0.000 0.208 279 L C 3.172 180.058 176.870 0.027 0.000 1.073 279 L CA 1.282 56.136 54.840 0.023 0.000 0.745 279 L CB -0.475 41.595 42.059 0.019 0.000 0.894 279 L HN 0.171 nan 8.230 nan 0.000 0.432 280 Q N -0.046 119.770 119.800 0.026 0.000 2.061 280 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 280 Q C 2.249 178.271 176.000 0.037 0.000 0.984 280 Q CA 1.360 57.180 55.803 0.028 0.000 0.846 280 Q CB -0.237 28.515 28.738 0.024 0.000 0.902 280 Q HN 0.202 nan 8.270 nan 0.000 0.421 281 K N 0.228 120.652 120.400 0.041 0.000 2.009 281 K HA -0.092 4.228 4.320 0.000 0.000 0.210 281 K C 2.103 178.747 176.600 0.073 0.000 1.049 281 K CA 1.537 57.856 56.287 0.055 0.000 0.929 281 K CB -0.473 32.061 32.500 0.056 0.000 0.714 281 K HN 0.322 nan 8.250 nan 0.000 0.440 282 M N 0.424 120.061 119.600 0.063 0.000 2.080 282 M HA -0.180 4.300 4.480 0.000 0.000 0.260 282 M C 2.276 178.611 176.300 0.059 0.000 1.068 282 M CA 1.417 56.753 55.300 0.059 0.000 1.109 282 M CB -0.413 32.199 32.600 0.020 0.000 1.342 282 M HN -0.142 nan 8.290 nan 0.000 0.405 283 V N 0.302 120.243 119.914 0.046 0.000 2.490 283 V HA -0.241 3.879 4.120 0.000 0.000 0.250 283 V C 2.524 178.655 176.094 0.062 0.000 1.061 283 V CA 1.856 64.183 62.300 0.045 0.000 1.064 283 V CB -1.180 30.664 31.823 0.035 0.000 0.670 283 V HN 0.537 nan 8.190 nan 0.000 0.461 284 A N -0.516 122.343 122.820 0.066 0.000 2.067 284 A HA -0.018 4.302 4.320 0.000 0.000 0.219 284 A C 2.017 179.657 177.584 0.093 0.000 1.158 284 A CA 1.182 53.259 52.037 0.067 0.000 0.661 284 A CB -0.359 18.675 19.000 0.056 0.000 0.801 284 A HN 0.544 nan 8.150 nan 0.000 0.452 285 L N -0.392 120.913 121.223 0.137 0.000 2.591 285 L HA 0.145 4.485 4.340 0.000 0.000 0.228 285 L C 1.220 178.238 176.870 0.247 0.000 1.133 285 L CA -0.091 54.885 54.840 0.227 0.000 0.880 285 L CB -0.123 42.181 42.059 0.407 0.000 1.033 285 L HN 0.316 nan 8.230 nan 0.000 0.450 286 L N 0.890 122.203 121.223 0.150 0.000 2.675 286 L HA -0.100 4.240 4.340 0.000 0.000 0.238 286 L C 1.585 178.540 176.870 0.140 0.000 1.155 286 L CA 0.414 55.330 54.840 0.127 0.000 0.881 286 L CB -0.598 41.510 42.059 0.082 0.000 1.008 286 L HN 0.533 nan 8.230 nan 0.000 0.443 287 N N -1.676 117.106 118.700 0.137 0.000 2.356 287 N HA -0.038 4.702 4.740 0.000 0.000 0.178 287 N C 0.672 176.257 175.510 0.125 0.000 1.075 287 N CA -0.029 53.093 53.050 0.118 0.000 0.889 287 N CB 0.115 38.652 38.487 0.082 0.000 0.999 287 N HN -0.054 nan 8.380 nan 0.000 0.464 288 K N 0.334 120.818 120.400 0.140 0.000 2.344 288 K HA 0.003 4.323 4.320 0.000 0.000 0.260 288 K C 1.008 177.677 176.600 0.116 0.000 0.988 288 K CA 0.900 57.249 56.287 0.102 0.000 0.909 288 K CB 0.348 32.905 32.500 0.095 0.000 0.968 288 K HN 0.451 nan 8.250 nan 0.000 0.505 289 T N -3.036 111.561 114.554 0.072 0.000 3.023 289 T HA -0.002 4.348 4.350 0.000 0.000 0.253 289 T C 0.625 175.307 174.700 -0.031 0.000 1.038 289 T CA -0.269 61.873 62.100 0.071 0.000 0.962 289 T CB 0.073 68.996 68.868 0.091 0.000 1.018 289 T HN 0.359 nan 8.240 nan 0.000 0.521 290 N N 3.035 121.721 118.700 -0.024 0.000 2.448 290 N HA 0.072 4.812 4.740 0.000 0.000 0.250 290 N C 1.693 177.103 175.510 -0.167 0.000 1.136 290 N CA 0.126 53.121 53.050 -0.092 0.000 0.953 290 N CB 1.433 39.877 38.487 -0.073 0.000 1.251 290 N HN 0.279 nan 8.380 nan 0.000 0.502 291 V N 2.653 122.372 119.914 -0.325 0.000 2.439 291 V HA -0.253 3.867 4.120 0.000 0.000 0.253 291 V C 2.030 177.935 176.094 -0.315 0.000 1.074 291 V CA 1.462 63.510 62.300 -0.420 0.000 1.076 291 V CB -0.522 30.980 31.823 -0.534 0.000 0.664 291 V HN 0.492 nan 8.190 nan 0.000 0.461 292 K N -0.540 119.654 120.400 -0.345 0.000 2.097 292 K HA -0.048 4.272 4.320 0.000 0.000 0.205 292 K C 1.995 178.447 176.600 -0.247 0.000 1.050 292 K CA 1.706 57.825 56.287 -0.280 0.000 0.938 292 K CB -0.343 31.971 32.500 -0.310 0.000 0.718 292 K HN 0.586 nan 8.250 nan 0.000 0.442 293 F N 1.969 121.688 119.950 -0.385 0.000 2.102 293 F HA -0.154 4.373 4.527 0.000 0.000 0.298 293 F C 1.735 177.426 175.800 -0.181 0.000 1.105 293 F CA 1.260 59.067 58.000 -0.322 0.000 1.239 293 F CB -0.275 38.568 39.000 -0.262 0.000 0.991 293 F HN -0.117 nan 8.300 nan 0.000 0.474 294 L N 0.046 121.131 121.223 -0.229 0.000 2.079 294 L HA -0.214 4.126 4.340 0.000 0.000 0.210 294 L C 2.812 179.532 176.870 -0.250 0.000 1.081 294 L CA 1.154 55.846 54.840 -0.247 0.000 0.752 294 L CB -1.262 40.712 42.059 -0.143 0.000 0.896 294 L HN 0.279 nan 8.230 nan 0.000 0.433 295 A N 0.281 122.988 122.820 -0.187 0.000 1.902 295 A HA -0.186 4.134 4.320 0.000 0.000 0.217 295 A C 2.110 179.564 177.584 -0.216 0.000 1.181 295 A CA 1.513 53.482 52.037 -0.113 0.000 0.623 295 A CB -0.439 18.573 19.000 0.019 0.000 0.818 295 A HN 0.301 nan 8.150 nan 0.000 0.443 296 I N -0.123 120.245 120.570 -0.336 0.000 2.406 296 I HA -0.108 4.062 4.170 0.000 0.000 0.249 296 I C 2.380 178.275 176.117 -0.370 0.000 1.122 296 I CA 1.706 62.740 61.300 -0.444 0.000 1.431 296 I CB -2.066 35.658 38.000 -0.461 0.000 1.087 296 I HN 0.222 nan 8.210 nan 0.000 0.424 297 T N 0.959 115.241 114.554 -0.453 0.000 2.737 297 T HA -0.135 4.215 4.350 0.000 0.000 0.265 297 T C 1.988 176.573 174.700 -0.192 0.000 1.038 297 T CA 2.161 64.045 62.100 -0.362 0.000 1.144 297 T CB -0.529 68.022 68.868 -0.527 0.000 0.866 297 T HN 0.538 nan 8.240 nan 0.000 0.434 298 T N 0.642 115.089 114.554 -0.178 0.000 2.788 298 T HA -0.172 4.178 4.350 0.000 0.000 0.268 298 T C 1.739 176.380 174.700 -0.098 0.000 1.044 298 T CA 1.713 63.748 62.100 -0.109 0.000 1.139 298 T CB -0.590 68.222 68.868 -0.092 0.000 0.867 298 T HN 0.271 nan 8.240 nan 0.000 0.454 299 D N 0.042 120.376 120.400 -0.110 0.000 2.178 299 D HA -0.018 4.622 4.640 0.000 0.000 0.202 299 D C 2.071 178.382 176.300 0.018 0.000 0.974 299 D CA 0.581 54.545 54.000 -0.059 0.000 0.841 299 D CB -0.619 40.172 40.800 -0.014 0.000 0.953 299 D HN 0.485 nan 8.370 nan 0.000 0.478 300 C N -0.220 119.097 119.300 0.029 0.000 2.446 300 C HA -0.017 4.443 4.460 0.000 0.000 0.277 300 C C 2.726 177.724 174.990 0.012 0.000 1.275 300 C CA 0.254 59.306 59.018 0.057 0.000 1.727 300 C CB -1.082 26.681 27.740 0.038 0.000 2.010 300 C HN 0.433 nan 8.230 nan 0.000 0.486 301 L N 0.317 121.533 121.223 -0.012 0.000 2.083 301 L HA -0.207 4.133 4.340 0.000 0.000 0.209 301 L C 2.866 179.736 176.870 0.000 0.000 1.083 301 L CA 1.371 56.207 54.840 -0.006 0.000 0.752 301 L CB -0.876 41.174 42.059 -0.015 0.000 0.899 301 L HN 0.433 nan 8.230 nan 0.000 0.433 302 Q N 0.836 120.626 119.800 -0.016 0.000 2.079 302 Q HA -0.184 4.156 4.340 0.000 0.000 0.200 302 Q C 2.249 178.262 176.000 0.020 0.000 0.974 302 Q CA 1.689 57.484 55.803 -0.012 0.000 0.840 302 Q CB -0.066 28.628 28.738 -0.074 0.000 0.898 302 Q HN 0.565 nan 8.270 nan 0.000 0.430 303 I N 0.479 121.048 120.570 -0.002 0.000 2.394 303 I HA -0.262 3.908 4.170 0.000 0.000 0.251 303 I C 2.161 178.303 176.117 0.041 0.000 1.136 303 I CA 0.661 61.962 61.300 0.001 0.000 1.425 303 I CB -0.108 37.873 38.000 -0.032 0.000 1.079 303 I HN 0.162 nan 8.210 nan 0.000 0.425 304 L N 0.020 121.264 121.223 0.034 0.000 2.270 304 L HA 0.018 4.358 4.340 0.000 0.000 0.210 304 L C 2.610 179.505 176.870 0.041 0.000 1.104 304 L CA 0.716 55.577 54.840 0.035 0.000 0.804 304 L CB -0.301 41.773 42.059 0.024 0.000 0.937 304 L HN 0.169 nan 8.230 nan 0.000 0.450 305 A N -1.116 121.732 122.820 0.047 0.000 1.984 305 A HA -0.128 4.192 4.320 0.000 0.000 0.214 305 A C 0.794 178.404 177.584 0.042 0.000 1.173 305 A CA -0.054 52.003 52.037 0.034 0.000 0.673 305 A CB -0.448 18.567 19.000 0.024 0.000 0.830 305 A HN 0.284 nan 8.150 nan 0.000 0.453 306 Y N 1.829 122.108 120.300 -0.035 0.000 2.852 306 Y HA 0.232 4.782 4.550 -0.000 0.000 0.343 306 Y C 1.346 177.226 175.900 -0.033 0.000 1.280 306 Y CA 0.679 58.755 58.100 -0.040 0.000 1.604 306 Y CB -0.400 38.033 38.460 -0.045 0.000 1.216 306 Y HN 0.603 nan 8.280 nan 0.000 0.541 307 G N 4.966 113.440 108.800 -0.543 0.000 2.323 307 G HA2 -0.332 3.628 3.960 0.000 0.000 0.292 307 G HA3 -0.332 3.628 3.960 0.000 0.000 0.292 307 G C -0.200 174.602 174.900 -0.162 0.000 1.040 307 G CA 0.387 45.252 45.100 -0.392 0.000 0.942 307 G HN 0.886 nan 8.290 nan 0.000 0.506 308 N N -0.379 118.255 118.700 -0.110 0.000 2.701 308 N HA 0.210 4.950 4.740 0.000 0.000 0.258 308 N C 1.090 176.573 175.510 -0.045 0.000 1.262 308 N CA -0.173 52.843 53.050 -0.056 0.000 0.780 308 N CB 1.138 39.611 38.487 -0.023 0.000 1.380 308 N HN 0.174 nan 8.380 nan 0.000 0.548 309 Q N 1.838 121.610 119.800 -0.048 0.000 2.077 309 Q HA -0.176 4.164 4.340 0.000 0.000 0.206 309 Q C 1.065 177.052 176.000 -0.022 0.000 0.989 309 Q CA 1.996 57.778 55.803 -0.036 0.000 0.853 309 Q CB 0.246 28.963 28.738 -0.034 0.000 0.907 309 Q HN 0.532 nan 8.270 nan 0.000 0.418 310 E N -0.177 120.013 120.200 -0.017 0.000 2.038 310 E HA -0.165 4.185 4.350 0.000 0.000 0.195 310 E C 2.161 178.758 176.600 -0.005 0.000 1.000 310 E CA 1.560 57.955 56.400 -0.009 0.000 0.803 310 E CB -0.616 29.080 29.700 -0.006 0.000 0.750 310 E HN 0.317 nan 8.360 nan 0.000 0.448 311 S N 0.996 116.694 115.700 -0.004 0.000 2.400 311 S HA -0.135 4.335 4.470 0.000 0.000 0.232 311 S C 1.815 176.415 174.600 0.000 0.000 1.025 311 S CA 1.155 59.356 58.200 0.001 0.000 0.993 311 S CB -0.090 63.113 63.200 0.005 0.000 0.808 311 S HN 0.251 nan 8.310 nan 0.000 0.478 312 K N 0.677 121.073 120.400 -0.007 0.000 2.155 312 K HA 0.112 4.432 4.320 0.000 0.000 0.203 312 K C 1.883 178.482 176.600 -0.003 0.000 1.052 312 K CA 0.701 56.984 56.287 -0.007 0.000 0.948 312 K CB -0.226 32.265 32.500 -0.016 0.000 0.728 312 K HN 0.308 nan 8.250 nan 0.000 0.448 313 L N 0.791 122.012 121.223 -0.004 0.000 2.156 313 L HA -0.111 4.229 4.340 0.000 0.000 0.208 313 L C 2.231 179.103 176.870 0.003 0.000 1.095 313 L CA 0.910 55.750 54.840 -0.001 0.000 0.770 313 L CB -0.274 41.783 42.059 -0.003 0.000 0.914 313 L HN 0.141 nan 8.230 nan 0.000 0.439 314 I N -0.186 120.387 120.570 0.004 0.000 2.286 314 I HA -0.269 3.901 4.170 0.000 0.000 0.245 314 I C 2.350 178.473 176.117 0.010 0.000 1.104 314 I CA 1.373 62.678 61.300 0.008 0.000 1.397 314 I CB -0.176 37.830 38.000 0.009 0.000 1.072 314 I HN 0.167 nan 8.210 nan 0.000 0.417 315 I N 0.289 120.865 120.570 0.010 0.000 2.361 315 I HA -0.276 3.894 4.170 0.000 0.000 0.251 315 I C 2.470 178.594 176.117 0.013 0.000 1.133 315 I CA 1.014 62.322 61.300 0.012 0.000 1.413 315 I CB -0.244 37.762 38.000 0.011 0.000 1.073 315 I HN 0.256 nan 8.210 nan 0.000 0.424 316 L N 1.156 122.385 121.223 0.010 0.000 2.072 316 L HA -0.004 4.336 4.340 0.000 0.000 0.205 316 L C 2.500 179.376 176.870 0.011 0.000 1.079 316 L CA 1.937 56.783 54.840 0.010 0.000 0.752 316 L CB -0.779 41.284 42.059 0.006 0.000 0.906 316 L HN 0.149 nan 8.230 nan 0.000 0.436 317 A N -1.760 121.066 122.820 0.010 0.000 2.014 317 A HA -0.069 4.251 4.320 0.000 0.000 0.218 317 A C 2.181 179.772 177.584 0.013 0.000 1.163 317 A CA 1.439 53.482 52.037 0.010 0.000 0.652 317 A CB -0.579 18.426 19.000 0.008 0.000 0.808 317 A HN 0.481 nan 8.150 nan 0.000 0.449 318 S N -1.156 114.553 115.700 0.015 0.000 2.603 318 S HA 0.337 4.807 4.470 0.000 0.000 0.220 318 S C 1.351 175.964 174.600 0.021 0.000 0.967 318 S CA 0.678 58.889 58.200 0.018 0.000 0.920 318 S CB -0.069 63.144 63.200 0.021 0.000 0.773 318 S HN 1.586 nan 8.310 nan 0.000 0.529 319 G N 1.088 109.899 108.800 0.019 0.000 2.147 319 G HA2 -0.243 3.717 3.960 0.000 0.000 0.244 319 G HA3 -0.243 3.717 3.960 0.000 0.000 0.244 319 G C 0.819 175.734 174.900 0.025 0.000 1.005 319 G CA 0.231 45.343 45.100 0.021 0.000 0.713 319 G HN 0.609 nan 8.290 nan 0.000 0.515 320 G N 0.541 109.356 108.800 0.024 0.000 2.422 320 G HA2 0.042 4.002 3.960 0.000 0.000 0.218 320 G HA3 0.042 4.002 3.960 0.000 0.000 0.218 320 G C 0.150 175.066 174.900 0.028 0.000 1.146 320 G CA 1.670 46.785 45.100 0.026 0.000 0.769 320 G HN 0.543 nan 8.290 nan 0.000 0.547 321 P HA -0.183 nan 4.420 nan 0.000 0.213 321 P C 1.858 179.176 177.300 0.030 0.000 1.170 321 P CA 2.031 65.146 63.100 0.025 0.000 0.902 321 P CB -0.165 31.547 31.700 0.021 0.000 0.789 322 Q N -0.527 119.290 119.800 0.028 0.000 2.364 322 Q HA -0.068 4.272 4.340 0.000 0.000 0.209 322 Q C 1.799 177.822 176.000 0.038 0.000 0.977 322 Q CA 1.987 57.808 55.803 0.030 0.000 0.885 322 Q CB -1.354 27.399 28.738 0.025 0.000 0.941 322 Q HN 0.143 nan 8.270 nan 0.000 0.464 323 A N 0.859 123.705 122.820 0.043 0.000 1.878 323 A HA 0.093 4.413 4.320 0.000 0.000 0.213 323 A C 2.083 179.707 177.584 0.068 0.000 1.192 323 A CA 0.851 52.922 52.037 0.057 0.000 0.619 323 A CB -0.546 18.488 19.000 0.057 0.000 0.837 323 A HN 0.359 nan 8.150 nan 0.000 0.446 324 L N -0.362 120.895 121.223 0.056 0.000 2.017 324 L HA -0.163 4.177 4.340 0.000 0.000 0.208 324 L C 2.516 179.428 176.870 0.071 0.000 1.073 324 L CA 1.167 56.042 54.840 0.060 0.000 0.745 324 L CB -0.675 41.408 42.059 0.041 0.000 0.894 324 L HN 0.220 nan 8.230 nan 0.000 0.432 325 V N 0.416 120.365 119.914 0.059 0.000 2.380 325 V HA -0.337 3.783 4.120 0.000 0.000 0.251 325 V C 2.354 178.487 176.094 0.064 0.000 1.063 325 V CA 2.145 64.481 62.300 0.060 0.000 1.055 325 V CB -0.780 31.070 31.823 0.044 0.000 0.657 325 V HN 0.590 nan 8.190 nan 0.000 0.455 326 N N 0.040 118.776 118.700 0.060 0.000 2.309 326 N HA -0.096 4.644 4.740 0.000 0.000 0.182 326 N C 1.788 177.339 175.510 0.068 0.000 1.018 326 N CA 1.224 54.303 53.050 0.049 0.000 0.876 326 N CB 0.002 38.514 38.487 0.042 0.000 0.972 326 N HN 0.495 nan 8.380 nan 0.000 0.434 327 I N 0.863 121.511 120.570 0.130 0.000 2.202 327 I HA -0.250 3.920 4.170 0.000 0.000 0.242 327 I C 2.198 178.437 176.117 0.204 0.000 1.091 327 I CA 0.770 62.214 61.300 0.240 0.000 1.368 327 I CB -0.211 37.932 38.000 0.238 0.000 1.058 327 I HN 0.106 nan 8.210 nan 0.000 0.410 328 M N 0.195 119.892 119.600 0.160 0.000 2.195 328 M HA -0.200 4.280 4.480 0.000 0.000 0.260 328 M C 2.277 178.722 176.300 0.241 0.000 1.066 328 M CA 1.674 57.095 55.300 0.202 0.000 1.089 328 M CB -1.337 31.369 32.600 0.176 0.000 1.377 328 M HN 0.250 nan 8.290 nan 0.000 0.411 329 R N -0.928 119.639 120.500 0.111 0.000 2.062 329 R HA -0.035 4.305 4.340 0.000 0.000 0.226 329 R C 2.252 178.544 176.300 -0.013 0.000 1.125 329 R CA 1.709 57.834 56.100 0.041 0.000 0.966 329 R CB -0.476 29.823 30.300 -0.001 0.000 0.861 329 R HN 0.345 nan 8.270 nan 0.000 0.433 330 T N 0.101 114.581 114.554 -0.123 0.000 2.770 330 T HA -0.022 4.328 4.350 0.000 0.000 0.258 330 T C 0.234 174.723 174.700 -0.352 0.000 1.039 330 T CA 1.049 62.944 62.100 -0.341 0.000 1.143 330 T CB -0.177 68.277 68.868 -0.690 0.000 0.866 330 T HN 0.010 nan 8.240 nan 0.000 0.428 331 Y N 1.580 121.935 120.300 0.092 0.000 2.298 331 Y HA 0.360 4.910 4.550 0.000 0.000 0.329 331 Y C 1.713 177.679 175.900 0.110 0.000 1.293 331 Y CA -0.686 57.471 58.100 0.095 0.000 1.388 331 Y CB 0.437 38.952 38.460 0.093 0.000 1.309 331 Y HN 0.047 nan 8.280 nan 0.000 0.544 332 T N -3.218 111.510 114.554 0.291 0.000 3.170 332 T HA 0.100 4.450 4.350 0.000 0.000 0.288 332 T C -0.551 174.257 174.700 0.180 0.000 0.992 332 T CA -0.220 61.994 62.100 0.191 0.000 0.909 332 T CB -0.746 68.216 68.868 0.157 0.000 1.133 332 T HN 0.409 nan 8.240 nan 0.000 0.530 333 Y N 3.425 123.770 120.300 0.074 0.000 2.584 333 Y HA 0.294 4.844 4.550 0.000 0.000 0.351 333 Y C 1.592 177.492 175.900 0.001 0.000 1.030 333 Y CA -1.483 56.630 58.100 0.020 0.000 1.332 333 Y CB 0.554 39.008 38.460 -0.010 0.000 1.148 333 Y HN 0.148 nan 8.280 nan 0.000 0.528 334 E N 4.682 124.706 120.200 -0.293 0.000 2.108 334 E HA -0.298 4.052 4.350 0.000 0.000 0.203 334 E C 1.224 177.632 176.600 -0.319 0.000 1.022 334 E CA 1.979 58.205 56.400 -0.290 0.000 0.823 334 E CB 0.240 29.777 29.700 -0.271 0.000 0.744 334 E HN 0.808 nan 8.360 nan 0.000 0.456 335 K N -0.019 119.975 120.400 -0.677 0.000 2.147 335 K HA -0.159 4.161 4.320 0.000 0.000 0.205 335 K C 2.294 178.877 176.600 -0.029 0.000 1.049 335 K CA 0.979 57.066 56.287 -0.335 0.000 0.936 335 K CB -0.206 32.017 32.500 -0.462 0.000 0.722 335 K HN 0.111 nan 8.250 nan 0.000 0.446 336 L N 1.470 122.684 121.223 -0.016 0.000 2.007 336 L HA -0.094 4.246 4.340 0.000 0.000 0.205 336 L C 1.987 178.898 176.870 0.069 0.000 1.073 336 L CA 1.388 56.302 54.840 0.124 0.000 0.744 336 L CB -0.582 41.606 42.059 0.216 0.000 0.898 336 L HN 0.071 nan 8.230 nan 0.000 0.435 337 L N -1.492 119.756 121.223 0.042 0.000 2.051 337 L HA -0.301 4.039 4.340 0.000 0.000 0.214 337 L C 2.408 179.315 176.870 0.061 0.000 1.076 337 L CA 1.995 56.831 54.840 -0.007 0.000 0.758 337 L CB -0.771 41.190 42.059 -0.163 0.000 0.890 337 L HN 0.576 nan 8.230 nan 0.000 0.433 338 W N 1.190 122.422 121.300 -0.114 0.000 2.348 338 W HA -0.247 4.413 4.660 -0.000 0.000 0.324 338 W C 2.970 179.467 176.519 -0.037 0.000 1.209 338 W CA 2.425 59.723 57.345 -0.078 0.000 1.275 338 W CB -0.962 28.439 29.460 -0.099 0.000 1.175 338 W HN 0.296 nan 8.180 nan 0.000 0.461 339 T N -1.975 112.493 114.554 -0.143 0.000 2.699 339 T HA -0.281 4.069 4.350 0.000 0.000 0.268 339 T C 1.660 176.235 174.700 -0.208 0.000 1.036 339 T CA 2.569 64.464 62.100 -0.342 0.000 1.147 339 T CB -1.303 67.461 68.868 -0.173 0.000 0.862 339 T HN 0.189 nan 8.240 nan 0.000 0.446 340 T N 2.532 117.034 114.554 -0.087 0.000 2.708 340 T HA -0.122 4.228 4.350 0.000 0.000 0.266 340 T C 2.541 177.219 174.700 -0.037 0.000 1.037 340 T CA 1.922 63.998 62.100 -0.040 0.000 1.146 340 T CB -0.758 68.120 68.868 0.017 0.000 0.865 340 T HN 0.784 nan 8.240 nan 0.000 0.435 341 S N 2.193 117.877 115.700 -0.026 0.000 2.383 341 S HA -0.167 4.303 4.470 0.000 0.000 0.229 341 S C 2.045 176.630 174.600 -0.025 0.000 1.030 341 S CA 0.906 59.110 58.200 0.008 0.000 1.002 341 S CB -0.472 62.760 63.200 0.054 0.000 0.829 341 S HN 0.459 nan 8.310 nan 0.000 0.467 342 R N 0.502 120.920 120.500 -0.137 0.000 2.148 342 R HA 0.056 4.396 4.340 0.000 0.000 0.227 342 R C 2.211 178.466 176.300 -0.076 0.000 1.103 342 R CA 1.256 57.265 56.100 -0.151 0.000 0.983 342 R CB -0.585 29.496 30.300 -0.365 0.000 0.874 342 R HN 0.391 nan 8.270 nan 0.000 0.451 343 V N 1.134 121.005 119.914 -0.072 0.000 2.453 343 V HA -0.163 3.957 4.120 0.000 0.000 0.247 343 V C 2.198 178.291 176.094 -0.002 0.000 1.048 343 V CA 1.414 63.694 62.300 -0.033 0.000 1.049 343 V CB -0.313 31.489 31.823 -0.034 0.000 0.672 343 V HN 0.265 nan 8.190 nan 0.000 0.457 344 L N -0.036 121.192 121.223 0.008 0.000 2.109 344 L HA -0.127 4.213 4.340 0.000 0.000 0.207 344 L C 2.587 179.480 176.870 0.038 0.000 1.086 344 L CA 1.580 56.437 54.840 0.027 0.000 0.760 344 L CB -0.587 41.496 42.059 0.040 0.000 0.910 344 L HN 0.318 nan 8.230 nan 0.000 0.437 345 K N 0.455 120.884 120.400 0.048 0.000 2.044 345 K HA -0.190 4.130 4.320 0.000 0.000 0.210 345 K C 1.963 178.589 176.600 0.043 0.000 1.049 345 K CA 1.831 58.161 56.287 0.071 0.000 0.927 345 K CB -0.048 32.514 32.500 0.103 0.000 0.713 345 K HN 0.092 nan 8.250 nan 0.000 0.443 346 V N 1.830 121.765 119.914 0.034 0.000 2.307 346 V HA -0.234 3.886 4.120 0.000 0.000 0.245 346 V C 2.344 178.438 176.094 -0.000 0.000 1.045 346 V CA 1.606 63.920 62.300 0.022 0.000 1.024 346 V CB -0.384 31.471 31.823 0.052 0.000 0.651 346 V HN 0.336 nan 8.190 nan 0.000 0.449 347 L N 1.120 122.347 121.223 0.008 0.000 2.353 347 L HA -0.116 4.224 4.340 0.000 0.000 0.220 347 L C 2.494 179.367 176.870 0.005 0.000 1.133 347 L CA 1.454 56.295 54.840 0.003 0.000 0.798 347 L CB -0.660 41.405 42.059 0.009 0.000 0.922 347 L HN 0.552 nan 8.230 nan 0.000 0.445 348 S N -0.729 114.979 115.700 0.014 0.000 2.489 348 S HA -0.074 4.396 4.470 0.000 0.000 0.228 348 S C 1.716 176.320 174.600 0.008 0.000 0.995 348 S CA 0.684 58.895 58.200 0.019 0.000 0.934 348 S CB -0.450 62.773 63.200 0.038 0.000 0.771 348 S HN 0.366 nan 8.310 nan 0.000 0.522 349 V N -0.989 118.920 119.914 -0.007 0.000 3.406 349 V HA 0.267 4.387 4.120 0.000 0.000 0.263 349 V C 1.264 177.345 176.094 -0.023 0.000 1.172 349 V CA -0.226 62.062 62.300 -0.020 0.000 1.140 349 V CB -1.444 30.353 31.823 -0.043 0.000 0.784 349 V HN 0.654 nan 8.190 nan 0.000 0.467 350 C N 2.504 121.792 119.300 -0.020 0.000 2.585 350 C HA 0.500 4.960 4.460 0.000 0.000 0.406 350 C C 1.022 176.005 174.990 -0.011 0.000 1.312 350 C CA 0.058 59.064 59.018 -0.020 0.000 1.924 350 C CB -0.515 27.213 27.740 -0.019 0.000 2.578 350 C HN 0.602 nan 8.230 nan 0.000 0.580 351 S N 5.075 120.768 115.700 -0.011 0.000 2.494 351 S HA 0.398 4.868 4.470 0.000 0.000 0.312 351 S C 0.754 175.352 174.600 -0.004 0.000 1.121 351 S CA 0.166 58.363 58.200 -0.006 0.000 1.068 351 S CB 0.572 63.768 63.200 -0.007 0.000 1.141 351 S HN 1.023 nan 8.310 nan 0.000 0.527 352 S N 2.247 117.947 115.700 -0.001 0.000 1.907 352 S HA -0.100 4.370 4.470 0.000 0.000 0.234 352 S C 1.323 175.925 174.600 0.003 0.000 0.686 352 S CA -0.218 57.982 58.200 0.001 0.000 0.988 352 S CB -0.926 62.273 63.200 -0.001 0.000 0.890 352 S HN 0.571 nan 8.310 nan 0.000 0.523 353 N N 1.452 120.153 118.700 0.002 0.000 2.251 353 N HA 0.115 4.855 4.740 0.000 0.000 0.181 353 N C 1.483 176.999 175.510 0.009 0.000 1.019 353 N CA 1.073 54.127 53.050 0.005 0.000 0.862 353 N CB -0.089 38.400 38.487 0.003 0.000 0.992 353 N HN 0.492 nan 8.380 nan 0.000 0.429 354 K N 0.746 121.152 120.400 0.009 0.000 2.015 354 K HA -0.168 4.152 4.320 0.000 0.000 0.216 354 K C -0.686 175.922 176.600 0.013 0.000 1.052 354 K CA 1.797 58.092 56.287 0.013 0.000 0.937 354 K CB -1.190 31.317 32.500 0.013 0.000 0.719 354 K HN 0.189 nan 8.250 nan 0.000 0.446 355 P HA -0.237 nan 4.420 nan 0.000 0.216 355 P C 1.129 178.435 177.300 0.010 0.000 1.157 355 P CA 2.068 65.173 63.100 0.009 0.000 0.880 355 P CB -0.045 31.659 31.700 0.007 0.000 0.791 356 A N -0.945 121.881 122.820 0.010 0.000 1.940 356 A HA -0.193 4.127 4.320 0.000 0.000 0.219 356 A C 2.183 179.776 177.584 0.015 0.000 1.176 356 A CA 1.635 53.679 52.037 0.012 0.000 0.631 356 A CB -1.620 17.387 19.000 0.012 0.000 0.814 356 A HN 0.148 nan 8.150 nan 0.000 0.446 357 I N -0.741 119.839 120.570 0.017 0.000 2.439 357 I HA -0.142 4.028 4.170 0.000 0.000 0.251 357 I C 2.155 178.284 176.117 0.020 0.000 1.139 357 I CA 0.738 62.051 61.300 0.021 0.000 1.438 357 I CB -0.199 37.816 38.000 0.025 0.000 1.085 357 I HN 0.136 nan 8.210 nan 0.000 0.427 358 V N 0.246 120.170 119.914 0.017 0.000 2.407 358 V HA -0.159 3.961 4.120 0.000 0.000 0.245 358 V C 2.453 178.553 176.094 0.009 0.000 1.041 358 V CA 1.451 63.759 62.300 0.013 0.000 1.040 358 V CB -0.491 31.338 31.823 0.011 0.000 0.671 358 V HN 0.363 nan 8.190 nan 0.000 0.455 359 E N 0.357 120.562 120.200 0.008 0.000 2.204 359 E HA -0.131 4.219 4.350 0.000 0.000 0.194 359 E C 2.149 178.754 176.600 0.007 0.000 0.989 359 E CA 1.251 57.654 56.400 0.006 0.000 0.824 359 E CB -0.020 29.684 29.700 0.006 0.000 0.756 359 E HN 0.549 nan 8.360 nan 0.000 0.477 360 A N -0.234 122.593 122.820 0.011 0.000 2.208 360 A HA 0.192 4.512 4.320 0.000 0.000 0.209 360 A C 1.441 179.032 177.584 0.012 0.000 1.161 360 A CA 1.077 53.122 52.037 0.013 0.000 0.782 360 A CB 0.010 19.021 19.000 0.018 0.000 0.816 360 A HN 0.271 nan 8.150 nan 0.000 0.477 361 G N -2.003 106.803 108.800 0.010 0.000 2.215 361 G HA2 -0.034 3.926 3.960 0.000 0.000 0.198 361 G HA3 -0.034 3.926 3.960 0.000 0.000 0.198 361 G C 0.955 175.863 174.900 0.014 0.000 1.047 361 G CA 0.353 45.458 45.100 0.008 0.000 0.747 361 G HN 1.106 nan 8.290 nan 0.000 0.495 362 G N -0.163 108.649 108.800 0.020 0.000 2.403 362 G HA2 0.050 4.010 3.960 0.000 0.000 0.216 362 G HA3 0.050 4.010 3.960 0.000 0.000 0.216 362 G C 1.861 176.779 174.900 0.030 0.000 1.154 362 G CA 1.514 46.633 45.100 0.030 0.000 0.784 362 G HN 0.414 nan 8.290 nan 0.000 0.538 363 M N 0.389 120.001 119.600 0.021 0.000 2.086 363 M HA -0.082 4.398 4.480 0.000 0.000 0.261 363 M C 2.599 178.904 176.300 0.009 0.000 1.067 363 M CA 1.308 56.618 55.300 0.017 0.000 1.116 363 M CB -1.104 31.502 32.600 0.009 0.000 1.348 363 M HN 0.227 nan 8.290 nan 0.000 0.407 364 Q N -0.198 119.602 119.800 0.000 0.000 2.230 364 Q HA 0.055 4.395 4.340 0.000 0.000 0.202 364 Q C 2.098 178.086 176.000 -0.020 0.000 0.963 364 Q CA 1.624 57.419 55.803 -0.014 0.000 0.866 364 Q CB -0.422 28.306 28.738 -0.017 0.000 0.931 364 Q HN 0.578 nan 8.270 nan 0.000 0.452 365 A N -0.081 122.740 122.820 0.003 0.000 2.021 365 A HA 0.024 4.344 4.320 0.000 0.000 0.216 365 A C 1.856 179.471 177.584 0.051 0.000 1.163 365 A CA 0.584 52.631 52.037 0.017 0.000 0.676 365 A CB -0.227 18.802 19.000 0.049 0.000 0.818 365 A HN 0.299 nan 8.150 nan 0.000 0.453 366 L N -0.979 120.279 121.223 0.059 0.000 2.131 366 L HA 0.027 4.367 4.340 0.000 0.000 0.206 366 L C 2.436 179.340 176.870 0.056 0.000 1.087 366 L CA 0.902 55.798 54.840 0.093 0.000 0.767 366 L CB -0.354 41.751 42.059 0.077 0.000 0.917 366 L HN 0.456 nan 8.230 nan 0.000 0.441 367 G N -0.634 108.170 108.800 0.006 0.000 3.026 367 G HA2 -0.048 3.912 3.960 0.000 0.000 0.208 367 G HA3 -0.048 3.912 3.960 0.000 0.000 0.208 367 G C 1.363 176.220 174.900 -0.072 0.000 1.169 367 G CA -0.210 44.879 45.100 -0.017 0.000 0.788 367 G HN 0.181 nan 8.290 nan 0.000 0.533 368 L N -0.184 120.947 121.223 -0.152 0.000 2.418 368 L HA 0.181 4.521 4.340 0.000 0.000 0.218 368 L C 0.832 177.410 176.870 -0.487 0.000 1.125 368 L CA 0.845 55.485 54.840 -0.334 0.000 0.835 368 L CB -0.014 41.775 42.059 -0.451 0.000 0.953 368 L HN 0.284 nan 8.230 nan 0.000 0.454 369 H N -0.547 118.528 119.070 0.009 0.000 2.510 369 H HA 0.193 4.749 4.556 0.000 0.000 0.266 369 H C 1.607 176.933 175.328 -0.003 0.000 1.146 369 H CA -0.178 55.874 56.048 0.008 0.000 0.993 369 H CB 0.580 30.355 29.762 0.021 0.000 1.727 369 H HN 0.280 nan 8.280 nan 0.000 0.590 370 L N 0.670 121.919 121.223 0.043 0.000 2.395 370 L HA -0.053 4.287 4.340 0.000 0.000 0.218 370 L C 1.867 178.740 176.870 0.005 0.000 1.130 370 L CA 1.528 56.378 54.840 0.018 0.000 0.826 370 L CB 0.049 42.105 42.059 -0.005 0.000 0.941 370 L HN 0.250 nan 8.230 nan 0.000 0.451 371 T N -6.141 108.419 114.554 0.009 0.000 3.044 371 T HA 0.138 4.488 4.350 0.000 0.000 0.260 371 T C 0.438 175.145 174.700 0.011 0.000 1.019 371 T CA -0.585 61.515 62.100 0.001 0.000 0.921 371 T CB -0.039 68.824 68.868 -0.007 0.000 1.053 371 T HN -0.073 nan 8.240 nan 0.000 0.533 372 D N 3.250 123.673 120.400 0.039 0.000 2.419 372 D HA 0.181 4.821 4.640 0.000 0.000 0.236 372 D C -1.281 175.021 176.300 0.004 0.000 1.165 372 D CA -1.744 52.282 54.000 0.044 0.000 0.882 372 D CB 0.832 41.688 40.800 0.093 0.000 1.201 372 D HN 0.042 nan 8.370 nan 0.000 0.443 373 P HA -0.130 nan 4.420 nan 0.000 0.214 373 P C 0.265 177.533 177.300 -0.053 0.000 1.169 373 P CA 1.024 64.106 63.100 -0.031 0.000 0.908 373 P CB 0.080 31.760 31.700 -0.032 0.000 0.791 374 S N -0.852 114.806 115.700 -0.069 0.000 2.558 374 S HA -0.071 4.399 4.470 0.000 0.000 0.293 374 S C 1.203 175.750 174.600 -0.088 0.000 1.292 374 S CA -0.105 58.032 58.200 -0.105 0.000 1.063 374 S CB 0.120 63.238 63.200 -0.137 0.000 0.831 374 S HN -0.026 nan 8.310 nan 0.000 0.499 375 Q N 3.438 123.176 119.800 -0.105 0.000 2.226 375 Q HA 0.045 4.385 4.340 0.000 0.000 0.199 375 Q C 2.357 178.298 176.000 -0.097 0.000 0.945 375 Q CA 1.303 57.050 55.803 -0.094 0.000 0.861 375 Q CB -0.314 28.369 28.738 -0.090 0.000 0.953 375 Q HN 0.923 nan 8.270 nan 0.000 0.490 376 R N 0.053 120.487 120.500 -0.110 0.000 2.127 376 R HA -0.125 4.215 4.340 0.000 0.000 0.238 376 R C 2.010 178.350 176.300 0.067 0.000 1.134 376 R CA 1.385 57.460 56.100 -0.041 0.000 0.975 376 R CB -0.757 29.450 30.300 -0.154 0.000 0.865 376 R HN 0.141 nan 8.270 nan 0.000 0.447 377 L N 1.332 122.565 121.223 0.015 0.000 2.005 377 L HA -0.076 4.264 4.340 0.000 0.000 0.207 377 L C 2.299 179.199 176.870 0.049 0.000 1.072 377 L CA 1.423 56.322 54.840 0.098 0.000 0.744 377 L CB -0.446 41.624 42.059 0.017 0.000 0.895 377 L HN 0.052 nan 8.230 nan 0.000 0.433 378 V N -0.303 119.604 119.914 -0.011 0.000 2.287 378 V HA -0.347 3.773 4.120 0.000 0.000 0.248 378 V C 2.662 178.690 176.094 -0.110 0.000 1.053 378 V CA 1.982 64.260 62.300 -0.036 0.000 1.027 378 V CB -0.692 31.097 31.823 -0.056 0.000 0.646 378 V HN 0.586 nan 8.190 nan 0.000 0.447 379 Q N 0.732 120.412 119.800 -0.202 0.000 2.030 379 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 379 Q C 1.919 177.674 176.000 -0.409 0.000 0.986 379 Q CA 2.533 58.049 55.803 -0.479 0.000 0.843 379 Q CB -0.624 27.721 28.738 -0.656 0.000 0.904 379 Q HN 0.770 nan 8.270 nan 0.000 0.420 380 N N -1.371 117.284 118.700 -0.075 0.000 2.069 380 N HA -0.178 4.562 4.740 0.000 0.000 0.191 380 N C 1.807 177.400 175.510 0.138 0.000 1.031 380 N CA 1.567 54.728 53.050 0.184 0.000 0.852 380 N CB -0.296 38.329 38.487 0.231 0.000 1.018 380 N HN 0.275 nan 8.380 nan 0.000 0.423 381 C N 0.485 119.831 119.300 0.077 0.000 2.413 381 C HA -0.072 4.388 4.460 0.000 0.000 0.277 381 C C 2.535 177.561 174.990 0.059 0.000 1.265 381 C CA 0.470 59.536 59.018 0.080 0.000 1.752 381 C CB -1.209 26.580 27.740 0.081 0.000 1.998 381 C HN 0.443 nan 8.230 nan 0.000 0.489 382 L N -0.967 120.250 121.223 -0.010 0.000 2.005 382 L HA -0.125 4.215 4.340 0.000 0.000 0.207 382 L C 2.754 179.672 176.870 0.080 0.000 1.072 382 L CA 1.530 56.351 54.840 -0.031 0.000 0.744 382 L CB -0.626 41.332 42.059 -0.169 0.000 0.895 382 L HN 0.482 nan 8.230 nan 0.000 0.433 383 W N 0.460 121.786 121.300 0.043 0.000 2.338 383 W HA -0.153 4.507 4.660 0.000 0.000 0.304 383 W C 2.657 179.196 176.519 0.034 0.000 1.212 383 W CA 1.478 58.846 57.345 0.038 0.000 1.264 383 W CB -1.408 28.078 29.460 0.042 0.000 1.142 383 W HN 0.187 nan 8.180 nan 0.000 0.512 384 T N 1.115 115.831 114.554 0.271 0.000 2.737 384 T HA -0.140 4.210 4.350 0.000 0.000 0.265 384 T C 2.129 176.901 174.700 0.119 0.000 1.038 384 T CA 1.215 63.413 62.100 0.162 0.000 1.144 384 T CB -0.673 68.273 68.868 0.130 0.000 0.866 384 T HN 0.000 nan 8.240 nan 0.000 0.434 385 L N 0.579 121.866 121.223 0.106 0.000 2.127 385 L HA -0.127 4.213 4.340 0.000 0.000 0.211 385 L C 2.784 179.703 176.870 0.080 0.000 1.089 385 L CA 1.288 56.173 54.840 0.076 0.000 0.757 385 L CB -0.369 41.725 42.059 0.057 0.000 0.899 385 L HN 0.187 nan 8.230 nan 0.000 0.434 386 R N 0.002 120.568 120.500 0.111 0.000 2.073 386 R HA -0.104 4.236 4.340 0.000 0.000 0.229 386 R C 2.085 178.439 176.300 0.090 0.000 1.120 386 R CA 1.206 57.372 56.100 0.109 0.000 0.967 386 R CB -0.014 30.380 30.300 0.156 0.000 0.862 386 R HN 0.354 nan 8.270 nan 0.000 0.436 387 N N 0.544 119.300 118.700 0.092 0.000 2.244 387 N HA -0.123 4.617 4.740 0.000 0.000 0.183 387 N C 1.693 177.232 175.510 0.047 0.000 1.016 387 N CA 1.147 54.234 53.050 0.061 0.000 0.866 387 N CB 0.006 38.525 38.487 0.053 0.000 0.980 387 N HN 0.301 nan 8.380 nan 0.000 0.430 388 L N 1.007 122.261 121.223 0.051 0.000 2.270 388 L HA -0.039 4.301 4.340 0.000 0.000 0.210 388 L C 2.464 179.355 176.870 0.035 0.000 1.104 388 L CA 0.447 55.309 54.840 0.038 0.000 0.804 388 L CB -0.559 41.523 42.059 0.038 0.000 0.937 388 L HN 0.144 nan 8.230 nan 0.000 0.450 389 S N 1.230 116.955 115.700 0.042 0.000 2.390 389 S HA -0.320 4.150 4.470 0.000 0.000 0.234 389 S C 1.621 176.240 174.600 0.032 0.000 1.063 389 S CA 1.927 60.150 58.200 0.039 0.000 1.108 389 S CB -1.006 62.224 63.200 0.050 0.000 0.975 389 S HN 0.662 nan 8.310 nan 0.000 0.442 390 D N 2.352 122.773 120.400 0.035 0.000 2.351 390 D HA 0.073 4.713 4.640 0.000 0.000 0.216 390 D C 1.334 177.645 176.300 0.018 0.000 0.968 390 D CA 1.104 55.122 54.000 0.029 0.000 0.899 390 D CB -0.470 40.350 40.800 0.032 0.000 0.907 390 D HN 0.702 nan 8.370 nan 0.000 0.514 391 A N -0.618 122.212 122.820 0.017 0.000 2.470 391 A HA 0.660 4.980 4.320 0.000 0.000 0.251 391 A C 1.649 179.237 177.584 0.007 0.000 1.245 391 A CA 0.226 52.269 52.037 0.011 0.000 0.932 391 A CB 0.391 19.399 19.000 0.012 0.000 1.037 391 A HN 0.269 nan 8.150 nan 0.000 0.522 392 A N -0.243 122.581 122.820 0.006 0.000 2.503 392 A HA 0.306 4.626 4.320 0.000 0.000 0.263 392 A C 1.747 179.325 177.584 -0.010 0.000 1.258 392 A CA 0.958 52.995 52.037 -0.000 0.000 0.936 392 A CB -0.909 18.094 19.000 0.005 0.000 1.070 392 A HN 0.555 nan 8.150 nan 0.000 0.522 393 T N -1.711 112.836 114.554 -0.012 0.000 2.977 393 T HA -0.069 4.281 4.350 0.000 0.000 0.271 393 T C 0.885 175.563 174.700 -0.036 0.000 1.105 393 T CA 1.454 63.540 62.100 -0.025 0.000 1.116 393 T CB -0.390 68.462 68.868 -0.026 0.000 0.878 393 T HN 0.414 nan 8.240 nan 0.000 0.509 394 K N 1.065 121.448 120.400 -0.029 0.000 3.205 394 K HA 0.313 4.633 4.320 0.000 0.000 0.202 394 K C -0.594 175.988 176.600 -0.031 0.000 1.160 394 K CA -0.385 55.881 56.287 -0.034 0.000 0.995 394 K CB 0.746 33.233 32.500 -0.021 0.000 1.041 394 K HN 0.097 nan 8.250 nan 0.000 0.507 395 Q N 1.875 121.654 119.800 -0.036 0.000 2.325 395 Q HA 0.222 4.562 4.340 0.000 0.000 0.270 395 Q C -0.283 175.692 176.000 -0.042 0.000 1.020 395 Q CA -0.332 55.453 55.803 -0.030 0.000 0.785 395 Q CB 1.538 30.264 28.738 -0.020 0.000 1.259 395 Q HN 0.272 nan 8.270 nan 0.000 0.452 396 E N 0.117 120.293 120.200 -0.040 0.000 2.391 396 E HA 0.316 4.666 4.350 0.000 0.000 0.255 396 E C 0.560 177.137 176.600 -0.038 0.000 1.187 396 E CA 0.364 56.736 56.400 -0.047 0.000 0.941 396 E CB 0.510 30.187 29.700 -0.038 0.000 1.010 396 E HN 0.817 nan 8.360 nan 0.000 0.458 397 G N 1.124 109.900 108.800 -0.040 0.000 2.176 397 G HA2 -0.242 3.718 3.960 0.000 0.000 0.252 397 G HA3 -0.242 3.718 3.960 0.000 0.000 0.252 397 G C 0.594 175.475 174.900 -0.032 0.000 1.024 397 G CA 0.408 45.488 45.100 -0.032 0.000 0.755 397 G HN 0.300 nan 8.290 nan 0.000 0.507 398 M N -0.732 118.845 119.600 -0.038 0.000 2.495 398 M HA 0.170 4.650 4.480 0.000 0.000 0.237 398 M C 1.980 178.261 176.300 -0.033 0.000 1.131 398 M CA 0.597 55.877 55.300 -0.033 0.000 1.032 398 M CB -0.179 32.400 32.600 -0.036 0.000 1.513 398 M HN 0.237 nan 8.290 nan 0.000 0.488 399 E N 1.325 121.503 120.200 -0.036 0.000 2.026 399 E HA -0.168 4.182 4.350 0.000 0.000 0.206 399 E C 2.099 178.683 176.600 -0.026 0.000 1.028 399 E CA 2.133 58.514 56.400 -0.032 0.000 0.845 399 E CB -1.027 28.655 29.700 -0.029 0.000 0.772 399 E HN 0.543 nan 8.360 nan 0.000 0.462 400 G N 0.690 109.474 108.800 -0.026 0.000 2.529 400 G HA2 -0.296 3.664 3.960 0.000 0.000 0.219 400 G HA3 -0.296 3.664 3.960 0.000 0.000 0.219 400 G C 1.554 176.439 174.900 -0.024 0.000 1.177 400 G CA 1.169 46.254 45.100 -0.025 0.000 0.773 400 G HN 0.248 nan 8.290 nan 0.000 0.573 401 L N 0.580 121.789 121.223 -0.023 0.000 2.012 401 L HA -0.015 4.325 4.340 0.000 0.000 0.210 401 L C 2.782 179.643 176.870 -0.015 0.000 1.073 401 L CA 1.518 56.347 54.840 -0.019 0.000 0.748 401 L CB -0.540 41.510 42.059 -0.014 0.000 0.891 401 L HN 0.267 nan 8.230 nan 0.000 0.431 402 L N -0.779 120.434 121.223 -0.016 0.000 2.042 402 L HA -0.153 4.187 4.340 0.000 0.000 0.210 402 L C 2.525 179.387 176.870 -0.014 0.000 1.076 402 L CA 1.372 56.204 54.840 -0.014 0.000 0.749 402 L CB -1.434 40.614 42.059 -0.019 0.000 0.893 402 L HN 0.476 nan 8.230 nan 0.000 0.432 403 G N -1.089 107.701 108.800 -0.016 0.000 2.448 403 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 403 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 403 G C 1.550 176.441 174.900 -0.016 0.000 1.127 403 G CA 1.244 46.334 45.100 -0.016 0.000 0.766 403 G HN 0.321 nan 8.290 nan 0.000 0.552 404 T N 1.343 115.887 114.554 -0.017 0.000 2.770 404 T HA 0.043 4.393 4.350 0.000 0.000 0.258 404 T C 2.434 177.124 174.700 -0.016 0.000 1.039 404 T CA 0.606 62.696 62.100 -0.018 0.000 1.143 404 T CB -0.250 68.606 68.868 -0.020 0.000 0.866 404 T HN 0.145 nan 8.240 nan 0.000 0.428 405 L N 1.117 122.333 121.223 -0.013 0.000 2.089 405 L HA -0.152 4.188 4.340 0.000 0.000 0.213 405 L C 2.660 179.524 176.870 -0.010 0.000 1.079 405 L CA 1.012 55.846 54.840 -0.010 0.000 0.758 405 L CB -0.990 41.067 42.059 -0.003 0.000 0.891 405 L HN 0.145 nan 8.230 nan 0.000 0.433 406 V N -0.289 119.618 119.914 -0.011 0.000 2.261 406 V HA -0.358 3.762 4.120 0.000 0.000 0.246 406 V C 3.128 179.212 176.094 -0.017 0.000 1.047 406 V CA 2.467 64.760 62.300 -0.013 0.000 1.015 406 V CB -1.167 30.648 31.823 -0.014 0.000 0.642 406 V HN 0.629 nan 8.190 nan 0.000 0.446 407 Q N -0.582 119.208 119.800 -0.017 0.000 2.135 407 Q HA -0.188 4.152 4.340 0.000 0.000 0.204 407 Q C 2.065 178.054 176.000 -0.019 0.000 0.981 407 Q CA 2.310 58.102 55.803 -0.019 0.000 0.856 407 Q CB -0.968 27.760 28.738 -0.018 0.000 0.902 407 Q HN 0.723 nan 8.270 nan 0.000 0.425 408 L N 0.125 121.336 121.223 -0.019 0.000 2.622 408 L HA 0.024 4.364 4.340 0.000 0.000 0.233 408 L C 2.245 179.103 176.870 -0.021 0.000 1.156 408 L CA 0.186 55.013 54.840 -0.022 0.000 0.866 408 L CB -0.132 41.912 42.059 -0.025 0.000 0.980 408 L HN 0.391 nan 8.230 nan 0.000 0.448 409 L N -0.564 120.648 121.223 -0.017 0.000 2.291 409 L HA -0.041 4.299 4.340 0.000 0.000 0.214 409 L C 2.096 178.956 176.870 -0.016 0.000 1.120 409 L CA 0.842 55.673 54.840 -0.015 0.000 0.799 409 L CB -0.489 41.562 42.059 -0.014 0.000 0.925 409 L HN 0.299 nan 8.230 nan 0.000 0.446 410 G N -1.046 107.742 108.800 -0.019 0.000 3.314 410 G HA2 -0.010 3.950 3.960 0.000 0.000 0.238 410 G HA3 -0.010 3.950 3.960 0.000 0.000 0.238 410 G C 0.611 175.500 174.900 -0.019 0.000 1.184 410 G CA -0.066 45.023 45.100 -0.019 0.000 0.806 410 G HN 0.193 nan 8.290 nan 0.000 0.536 411 S N 0.297 115.984 115.700 -0.021 0.000 2.589 411 S HA 0.080 4.550 4.470 0.000 0.000 0.265 411 S C 1.542 176.129 174.600 -0.022 0.000 1.342 411 S CA 0.292 58.477 58.200 -0.024 0.000 1.005 411 S CB 0.836 64.018 63.200 -0.031 0.000 0.909 411 S HN 0.445 nan 8.310 nan 0.000 0.555 412 D N 0.509 120.895 120.400 -0.023 0.000 2.354 412 D HA -0.016 4.624 4.640 0.000 0.000 0.209 412 D C -0.260 176.028 176.300 -0.020 0.000 1.015 412 D CA 0.025 54.014 54.000 -0.019 0.000 0.867 412 D CB -0.170 40.618 40.800 -0.019 0.000 0.933 412 D HN 0.399 nan 8.370 nan 0.000 0.520 413 D N 1.468 121.853 120.400 -0.026 0.000 2.339 413 D HA 0.047 4.687 4.640 0.000 0.000 0.241 413 D C 1.880 178.167 176.300 -0.021 0.000 1.183 413 D CA -0.474 53.509 54.000 -0.028 0.000 0.859 413 D CB 1.140 41.911 40.800 -0.048 0.000 1.067 413 D HN -0.069 nan 8.370 nan 0.000 0.484 414 I N 2.850 123.415 120.570 -0.008 0.000 2.194 414 I HA -0.278 3.892 4.170 0.000 0.000 0.246 414 I C 1.638 177.758 176.117 0.005 0.000 1.093 414 I CA 0.938 62.240 61.300 0.002 0.000 1.355 414 I CB -1.416 36.592 38.000 0.014 0.000 1.046 414 I HN 0.294 nan 8.210 nan 0.000 0.413 415 N N 1.233 119.935 118.700 0.004 0.000 2.289 415 N HA -0.081 4.659 4.740 0.000 0.000 0.184 415 N C 2.046 177.530 175.510 -0.043 0.000 1.016 415 N CA 0.927 53.981 53.050 0.007 0.000 0.872 415 N CB -0.424 38.073 38.487 0.016 0.000 0.973 415 N HN 0.313 nan 8.380 nan 0.000 0.433 416 V N 0.304 120.179 119.914 -0.066 0.000 2.453 416 V HA -0.095 4.025 4.120 0.000 0.000 0.247 416 V C 2.306 178.374 176.094 -0.044 0.000 1.048 416 V CA 0.845 63.094 62.300 -0.085 0.000 1.049 416 V CB -0.243 31.532 31.823 -0.080 0.000 0.672 416 V HN 0.044 nan 8.190 nan 0.000 0.457 417 V N 0.009 119.908 119.914 -0.024 0.000 2.307 417 V HA -0.250 3.870 4.120 0.000 0.000 0.245 417 V C 2.578 178.675 176.094 0.005 0.000 1.045 417 V CA 2.622 64.916 62.300 -0.010 0.000 1.024 417 V CB -0.975 30.845 31.823 -0.005 0.000 0.651 417 V HN 0.607 nan 8.190 nan 0.000 0.449 418 T N -1.056 113.507 114.554 0.016 0.000 2.746 418 T HA -0.222 4.128 4.350 0.000 0.000 0.267 418 T C 1.972 176.701 174.700 0.049 0.000 1.039 418 T CA 1.916 64.039 62.100 0.039 0.000 1.142 418 T CB -0.507 68.397 68.868 0.061 0.000 0.866 418 T HN 0.519 nan 8.240 nan 0.000 0.444 419 C N 1.647 120.972 119.300 0.041 0.000 2.453 419 C HA 0.140 4.600 4.460 0.000 0.000 0.277 419 C C 3.276 178.287 174.990 0.035 0.000 1.262 419 C CA 0.296 59.346 59.018 0.054 0.000 1.718 419 C CB -1.426 26.318 27.740 0.007 0.000 2.031 419 C HN 0.657 nan 8.230 nan 0.000 0.480 420 A N 0.499 123.324 122.820 0.009 0.000 1.978 420 A HA 0.010 4.330 4.320 0.000 0.000 0.220 420 A C 2.303 179.897 177.584 0.017 0.000 1.170 420 A CA 2.161 54.203 52.037 0.007 0.000 0.636 420 A CB -0.746 18.250 19.000 -0.007 0.000 0.810 420 A HN 0.600 nan 8.150 nan 0.000 0.448 421 A N -0.543 122.289 122.820 0.020 0.000 1.873 421 A HA 0.191 4.511 4.320 0.000 0.000 0.215 421 A C 2.434 180.037 177.584 0.031 0.000 1.186 421 A CA 1.768 53.817 52.037 0.021 0.000 0.616 421 A CB -1.386 17.625 19.000 0.018 0.000 0.823 421 A HN 0.711 nan 8.150 nan 0.000 0.442 422 G N 0.168 108.994 108.800 0.044 0.000 2.418 422 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 422 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 422 G C 1.523 176.459 174.900 0.060 0.000 1.158 422 G CA 1.177 46.310 45.100 0.056 0.000 0.771 422 G HN 0.477 nan 8.290 nan 0.000 0.545 423 I N 0.327 120.930 120.570 0.055 0.000 2.179 423 I HA -0.144 4.026 4.170 0.000 0.000 0.242 423 I C 2.691 178.837 176.117 0.049 0.000 1.088 423 I CA 0.741 62.073 61.300 0.052 0.000 1.357 423 I CB -0.263 37.762 38.000 0.042 0.000 1.051 423 I HN 0.111 nan 8.210 nan 0.000 0.409 424 L N -0.123 121.125 121.223 0.041 0.000 2.131 424 L HA -0.217 4.123 4.340 0.000 0.000 0.210 424 L C 2.734 179.647 176.870 0.072 0.000 1.092 424 L CA 1.159 56.024 54.840 0.042 0.000 0.759 424 L CB -0.502 41.573 42.059 0.027 0.000 0.903 424 L HN 0.267 nan 8.230 nan 0.000 0.435 425 S N 0.109 115.854 115.700 0.074 0.000 2.348 425 S HA -0.161 4.309 4.470 0.000 0.000 0.221 425 S C 1.863 176.593 174.600 0.218 0.000 1.033 425 S CA 1.542 59.809 58.200 0.112 0.000 1.010 425 S CB -0.114 63.122 63.200 0.060 0.000 0.891 425 S HN 0.452 nan 8.310 nan 0.000 0.442 426 N N 1.345 120.127 118.700 0.137 0.000 2.171 426 N HA 0.073 4.813 4.740 0.000 0.000 0.184 426 N C 1.727 177.276 175.510 0.066 0.000 1.021 426 N CA 0.849 53.963 53.050 0.108 0.000 0.854 426 N CB -0.562 37.969 38.487 0.075 0.000 0.994 426 N HN 0.395 nan 8.380 nan 0.000 0.426 427 L N 1.164 122.422 121.223 0.057 0.000 2.450 427 L HA -0.072 4.268 4.340 0.000 0.000 0.224 427 L C 1.225 178.108 176.870 0.021 0.000 1.149 427 L CA 1.015 55.870 54.840 0.026 0.000 0.816 427 L CB -0.597 41.473 42.059 0.019 0.000 0.932 427 L HN 0.284 nan 8.230 nan 0.000 0.449 428 T N -5.356 109.240 114.554 0.070 0.000 3.134 428 T HA 0.136 4.486 4.350 0.000 0.000 0.260 428 T C 0.496 175.178 174.700 -0.030 0.000 1.027 428 T CA -0.438 61.703 62.100 0.069 0.000 0.913 428 T CB -0.641 68.327 68.868 0.167 0.000 1.046 428 T HN 0.080 nan 8.240 nan 0.000 0.553 429 C N 3.519 122.748 119.300 -0.119 0.000 2.464 429 C HA 0.361 4.821 4.460 0.000 0.000 0.370 429 C C 1.014 175.910 174.990 -0.157 0.000 1.267 429 C CA -0.653 58.186 59.018 -0.299 0.000 1.781 429 C CB -1.372 26.238 27.740 -0.216 0.000 2.431 429 C HN 0.695 nan 8.230 nan 0.000 0.556 430 N N 1.957 120.569 118.700 -0.146 0.000 2.681 430 N HA -0.191 4.549 4.740 0.000 0.000 0.250 430 N C -0.386 175.115 175.510 -0.014 0.000 1.133 430 N CA 0.952 53.973 53.050 -0.048 0.000 0.732 430 N CB -1.009 37.456 38.487 -0.038 0.000 1.107 430 N HN 0.819 nan 8.380 nan 0.000 0.559 431 N N 0.574 119.251 118.700 -0.038 0.000 2.626 431 N HA 0.086 4.826 4.740 0.000 0.000 0.242 431 N C 1.072 176.529 175.510 -0.087 0.000 1.005 431 N CA -0.432 52.570 53.050 -0.081 0.000 0.905 431 N CB 0.398 38.816 38.487 -0.115 0.000 1.128 431 N HN 0.219 nan 8.380 nan 0.000 0.512 432 Y N 3.303 123.582 120.300 -0.035 0.000 2.315 432 Y HA -0.018 4.532 4.550 0.000 0.000 0.288 432 Y C 1.517 177.352 175.900 -0.109 0.000 1.154 432 Y CA 1.196 59.259 58.100 -0.062 0.000 1.229 432 Y CB -0.019 38.445 38.460 0.007 0.000 0.980 432 Y HN 0.289 nan 8.280 nan 0.000 0.540 433 K N 0.314 120.308 120.400 -0.678 0.000 2.007 433 K HA -0.110 4.210 4.320 0.000 0.000 0.206 433 K C 1.775 178.243 176.600 -0.221 0.000 1.047 433 K CA 1.371 57.382 56.287 -0.461 0.000 0.937 433 K CB -0.194 31.994 32.500 -0.518 0.000 0.718 433 K HN 0.271 nan 8.250 nan 0.000 0.438 434 N N 1.153 119.736 118.700 -0.195 0.000 2.120 434 N HA -0.134 4.606 4.740 0.000 0.000 0.188 434 N C 1.433 176.884 175.510 -0.098 0.000 1.024 434 N CA 1.345 54.327 53.050 -0.114 0.000 0.852 434 N CB -0.003 38.433 38.487 -0.084 0.000 1.003 434 N HN 0.121 nan 8.380 nan 0.000 0.424 435 K N 0.066 120.392 120.400 -0.124 0.000 2.032 435 K HA -0.097 4.223 4.320 0.000 0.000 0.209 435 K C 2.049 178.528 176.600 -0.202 0.000 1.048 435 K CA 1.226 57.422 56.287 -0.153 0.000 0.927 435 K CB -0.195 32.159 32.500 -0.243 0.000 0.712 435 K HN 0.204 nan 8.250 nan 0.000 0.441 436 M N -0.017 119.435 119.600 -0.246 0.000 2.159 436 M HA -0.184 4.296 4.480 0.000 0.000 0.263 436 M C 2.357 178.624 176.300 -0.055 0.000 1.063 436 M CA 1.307 56.522 55.300 -0.143 0.000 1.110 436 M CB -0.084 32.480 32.600 -0.061 0.000 1.374 436 M HN 0.164 nan 8.290 nan 0.000 0.411 437 M N -0.099 119.467 119.600 -0.057 0.000 2.117 437 M HA -0.120 4.360 4.480 0.000 0.000 0.262 437 M C 1.720 178.007 176.300 -0.021 0.000 1.065 437 M CA 1.677 56.957 55.300 -0.034 0.000 1.114 437 M CB -0.422 32.153 32.600 -0.042 0.000 1.361 437 M HN 0.045 nan 8.290 nan 0.000 0.408 438 V N -0.872 119.027 119.914 -0.024 0.000 2.407 438 V HA -0.308 3.812 4.120 0.000 0.000 0.248 438 V C 2.407 178.505 176.094 0.007 0.000 1.055 438 V CA 1.825 64.121 62.300 -0.007 0.000 1.049 438 V CB -1.065 30.759 31.823 0.002 0.000 0.662 438 V HN 0.631 nan 8.190 nan 0.000 0.455 439 C N -0.988 118.320 119.300 0.013 0.000 2.457 439 C HA -0.116 4.344 4.460 0.000 0.000 0.278 439 C C 2.800 177.813 174.990 0.038 0.000 1.309 439 C CA 0.657 59.701 59.018 0.044 0.000 1.735 439 C CB -0.746 27.038 27.740 0.074 0.000 1.992 439 C HN 0.541 nan 8.230 nan 0.000 0.493 440 Q N 1.149 120.963 119.800 0.023 0.000 2.030 440 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 440 Q C 2.097 178.106 176.000 0.015 0.000 0.986 440 Q CA 2.257 58.073 55.803 0.021 0.000 0.843 440 Q CB -0.178 28.566 28.738 0.011 0.000 0.904 440 Q HN 0.664 nan 8.270 nan 0.000 0.420 441 V N -3.553 116.364 119.914 0.005 0.000 3.573 441 V HA 0.384 4.504 4.120 0.000 0.000 0.270 441 V C 0.900 176.989 176.094 -0.008 0.000 1.221 441 V CA 0.613 62.912 62.300 -0.002 0.000 1.163 441 V CB -0.510 31.308 31.823 -0.007 0.000 0.847 441 V HN 0.397 nan 8.190 nan 0.000 0.468 442 G N -0.334 108.463 108.800 -0.005 0.000 2.270 442 G HA2 -0.106 3.854 3.960 0.000 0.000 0.224 442 G HA3 -0.106 3.854 3.960 0.000 0.000 0.224 442 G C 0.699 175.574 174.900 -0.043 0.000 1.079 442 G CA 0.158 45.239 45.100 -0.031 0.000 0.807 442 G HN 0.999 nan 8.290 nan 0.000 0.492 443 G N 0.417 109.209 108.800 -0.014 0.000 2.414 443 G HA2 0.021 3.981 3.960 0.000 0.000 0.215 443 G HA3 0.021 3.981 3.960 0.000 0.000 0.215 443 G C 1.858 176.749 174.900 -0.014 0.000 1.188 443 G CA 1.349 46.443 45.100 -0.010 0.000 0.783 443 G HN 0.478 nan 8.290 nan 0.000 0.537 444 I N 1.422 121.998 120.570 0.011 0.000 2.093 444 I HA -0.296 3.874 4.170 0.000 0.000 0.239 444 I C 2.515 178.619 176.117 -0.021 0.000 1.026 444 I CA 2.088 63.408 61.300 0.033 0.000 1.295 444 I CB -1.393 36.677 38.000 0.118 0.000 1.007 444 I HN 0.407 nan 8.210 nan 0.000 0.401 445 E N 0.771 120.875 120.200 -0.159 0.000 2.049 445 E HA -0.262 4.088 4.350 0.000 0.000 0.198 445 E C 2.222 178.751 176.600 -0.119 0.000 1.007 445 E CA 1.959 58.188 56.400 -0.284 0.000 0.809 445 E CB -0.030 29.302 29.700 -0.612 0.000 0.749 445 E HN 0.495 nan 8.360 nan 0.000 0.450 446 A N 0.779 123.543 122.820 -0.093 0.000 1.933 446 A HA -0.127 4.193 4.320 0.000 0.000 0.218 446 A C 2.229 179.796 177.584 -0.027 0.000 1.175 446 A CA 1.140 53.146 52.037 -0.051 0.000 0.628 446 A CB -0.520 18.455 19.000 -0.042 0.000 0.814 446 A HN 0.325 nan 8.150 nan 0.000 0.444 447 L N -0.753 120.459 121.223 -0.019 0.000 2.179 447 L HA -0.080 4.260 4.340 0.000 0.000 0.208 447 L C 2.336 179.208 176.870 0.003 0.000 1.096 447 L CA 0.496 55.333 54.840 -0.005 0.000 0.779 447 L CB -0.232 41.827 42.059 0.000 0.000 0.922 447 L HN 0.228 nan 8.230 nan 0.000 0.443 448 V N -0.237 119.682 119.914 0.010 0.000 2.548 448 V HA -0.207 3.913 4.120 0.000 0.000 0.249 448 V C 2.484 178.592 176.094 0.023 0.000 1.055 448 V CA 1.446 63.764 62.300 0.029 0.000 1.065 448 V CB -0.538 31.324 31.823 0.064 0.000 0.681 448 V HN 0.422 nan 8.190 nan 0.000 0.462 449 R N -0.123 120.382 120.500 0.009 0.000 2.276 449 R HA -0.078 4.262 4.340 0.000 0.000 0.203 449 R C 1.987 178.286 176.300 -0.001 0.000 1.017 449 R CA 1.358 57.460 56.100 0.003 0.000 1.010 449 R CB -0.047 30.247 30.300 -0.010 0.000 0.900 449 R HN 0.588 nan 8.270 nan 0.000 0.469 450 T N -0.597 113.956 114.554 -0.001 0.000 2.894 450 T HA -0.008 4.342 4.350 0.000 0.000 0.258 450 T C 1.815 176.516 174.700 0.002 0.000 1.043 450 T CA 0.855 62.954 62.100 -0.001 0.000 1.141 450 T CB -0.061 68.806 68.868 -0.001 0.000 0.873 450 T HN -0.033 nan 8.240 nan 0.000 0.449 451 V N 2.158 122.074 119.914 0.003 0.000 2.287 451 V HA -0.164 3.956 4.120 0.000 0.000 0.248 451 V C 2.563 178.657 176.094 0.001 0.000 1.053 451 V CA 1.599 63.900 62.300 0.002 0.000 1.027 451 V CB -0.918 30.907 31.823 0.003 0.000 0.646 451 V HN 0.394 nan 8.190 nan 0.000 0.447 452 L N 0.137 121.362 121.223 0.003 0.000 2.012 452 L HA -0.214 4.126 4.340 0.000 0.000 0.210 452 L C 2.750 179.619 176.870 -0.002 0.000 1.073 452 L CA 2.325 57.166 54.840 0.001 0.000 0.748 452 L CB -0.674 41.388 42.059 0.006 0.000 0.891 452 L HN 0.379 nan 8.230 nan 0.000 0.431 453 R N 0.522 121.021 120.500 -0.002 0.000 2.280 453 R HA -0.032 4.308 4.340 0.000 0.000 0.207 453 R C 1.963 178.263 176.300 -0.000 0.000 1.043 453 R CA 0.987 57.085 56.100 -0.003 0.000 1.006 453 R CB -0.127 30.171 30.300 -0.004 0.000 0.885 453 R HN 0.275 nan 8.270 nan 0.000 0.467 454 A N 0.786 123.607 122.820 0.001 0.000 2.021 454 A HA 0.281 4.601 4.320 0.000 0.000 0.216 454 A C 1.537 179.122 177.584 0.002 0.000 1.163 454 A CA 0.879 52.918 52.037 0.004 0.000 0.676 454 A CB -0.488 18.516 19.000 0.007 0.000 0.818 454 A HN 0.638 nan 8.150 nan 0.000 0.453 455 G N 0.752 109.551 108.800 -0.003 0.000 2.596 455 G HA2 -0.478 3.482 3.960 0.000 0.000 0.304 455 G HA3 -0.478 3.482 3.960 0.000 0.000 0.304 455 G C 0.530 175.424 174.900 -0.009 0.000 1.189 455 G CA 1.314 46.410 45.100 -0.007 0.000 0.986 455 G HN 0.992 nan 8.290 nan 0.000 0.548 456 D N 0.917 121.312 120.400 -0.007 0.000 2.340 456 D HA 0.133 4.773 4.640 0.000 0.000 0.220 456 D C 1.323 177.626 176.300 0.005 0.000 1.039 456 D CA 0.278 54.271 54.000 -0.010 0.000 0.866 456 D CB -0.163 40.628 40.800 -0.014 0.000 0.913 456 D HN 0.627 nan 8.370 nan 0.000 0.523 457 R N 1.283 121.791 120.500 0.012 0.000 2.459 457 R HA 0.125 4.465 4.340 0.000 0.000 0.301 457 R C 0.203 176.521 176.300 0.030 0.000 1.286 457 R CA 0.050 56.165 56.100 0.025 0.000 1.046 457 R CB -0.006 30.308 30.300 0.024 0.000 1.071 457 R HN 0.354 nan 8.270 nan 0.000 0.512 458 E N 0.903 121.128 120.200 0.042 0.000 2.472 458 E HA -0.175 4.175 4.350 0.000 0.000 0.200 458 E C 0.921 177.553 176.600 0.054 0.000 1.046 458 E CA 0.347 56.778 56.400 0.051 0.000 0.871 458 E CB 0.140 29.889 29.700 0.082 0.000 0.806 458 E HN 0.496 nan 8.360 nan 0.000 0.533 459 D N 0.289 120.721 120.400 0.052 0.000 2.312 459 D HA -0.079 4.561 4.640 0.000 0.000 0.211 459 D C 1.504 177.833 176.300 0.049 0.000 0.964 459 D CA 0.850 54.883 54.000 0.054 0.000 0.877 459 D CB 0.354 41.188 40.800 0.057 0.000 0.924 459 D HN 0.275 nan 8.370 nan 0.000 0.515 460 I N -0.603 119.990 120.570 0.039 0.000 3.565 460 I HA -0.080 4.090 4.170 0.000 0.000 0.287 460 I C 2.499 178.629 176.117 0.023 0.000 1.193 460 I CA 0.564 61.883 61.300 0.031 0.000 1.402 460 I CB -0.310 37.705 38.000 0.025 0.000 1.284 460 I HN -0.125 nan 8.210 nan 0.000 0.454 461 T N -0.994 113.573 114.554 0.021 0.000 2.788 461 T HA -0.200 4.150 4.350 0.000 0.000 0.268 461 T C 1.647 176.355 174.700 0.014 0.000 1.044 461 T CA 1.635 63.743 62.100 0.013 0.000 1.139 461 T CB -0.314 68.560 68.868 0.010 0.000 0.867 461 T HN 0.387 nan 8.240 nan 0.000 0.454 462 E N 2.067 122.283 120.200 0.026 0.000 2.007 462 E HA -0.079 4.271 4.350 0.000 0.000 0.194 462 E C -0.255 176.353 176.600 0.013 0.000 0.999 462 E CA 1.202 57.619 56.400 0.030 0.000 0.811 462 E CB -0.550 29.180 29.700 0.050 0.000 0.762 462 E HN 0.441 nan 8.360 nan 0.000 0.450 463 P HA -0.171 nan 4.420 nan 0.000 0.215 463 P C 1.148 178.435 177.300 -0.022 0.000 1.153 463 P CA 1.971 65.075 63.100 0.007 0.000 0.853 463 P CB -0.102 31.616 31.700 0.030 0.000 0.788 464 A N 0.199 123.013 122.820 -0.009 0.000 1.940 464 A HA -0.147 4.173 4.320 0.000 0.000 0.219 464 A C 2.398 179.962 177.584 -0.034 0.000 1.176 464 A CA 1.395 53.422 52.037 -0.016 0.000 0.631 464 A CB -1.379 17.620 19.000 -0.003 0.000 0.814 464 A HN 0.107 nan 8.150 nan 0.000 0.446 465 I N -0.742 119.808 120.570 -0.032 0.000 2.353 465 I HA -0.229 3.941 4.170 0.000 0.000 0.248 465 I C 2.418 178.482 176.117 -0.089 0.000 1.119 465 I CA 0.950 62.228 61.300 -0.037 0.000 1.417 465 I CB -0.884 37.108 38.000 -0.013 0.000 1.078 465 I HN 0.364 nan 8.210 nan 0.000 0.421 466 C N 1.075 120.295 119.300 -0.134 0.000 2.425 466 C HA -0.118 4.342 4.460 0.000 0.000 0.277 466 C C 3.198 177.832 174.990 -0.593 0.000 1.280 466 C CA 0.973 59.801 59.018 -0.316 0.000 1.744 466 C CB -1.143 26.443 27.740 -0.257 0.000 1.989 466 C HN 0.590 nan 8.230 nan 0.000 0.491 467 A N 0.121 122.745 122.820 -0.325 0.000 1.940 467 A HA -0.131 4.189 4.320 0.000 0.000 0.219 467 A C 2.117 179.647 177.584 -0.090 0.000 1.176 467 A CA 1.509 53.433 52.037 -0.189 0.000 0.631 467 A CB -0.554 18.416 19.000 -0.051 0.000 0.814 467 A HN 0.633 nan 8.150 nan 0.000 0.446 468 L N -1.454 119.727 121.223 -0.070 0.000 2.109 468 L HA -0.110 4.230 4.340 0.000 0.000 0.207 468 L C 2.766 179.643 176.870 0.013 0.000 1.086 468 L CA 1.410 56.247 54.840 -0.004 0.000 0.760 468 L CB -0.393 41.668 42.059 0.002 0.000 0.910 468 L HN 0.465 nan 8.230 nan 0.000 0.437 469 R N -0.388 120.088 120.500 -0.041 0.000 2.083 469 R HA -0.200 4.140 4.340 0.000 0.000 0.237 469 R C 2.237 178.618 176.300 0.134 0.000 1.137 469 R CA 1.858 57.970 56.100 0.019 0.000 0.951 469 R CB -0.316 29.975 30.300 -0.015 0.000 0.851 469 R HN 0.488 nan 8.270 nan 0.000 0.434 470 H N -0.131 118.979 119.070 0.067 0.000 2.353 470 H HA -0.104 4.452 4.556 0.000 0.000 0.300 470 H C 2.208 177.604 175.328 0.112 0.000 1.090 470 H CA 1.388 57.483 56.048 0.077 0.000 1.327 470 H CB -0.010 29.787 29.762 0.059 0.000 1.383 470 H HN 0.196 nan 8.280 nan 0.000 0.508 471 L N 0.539 121.901 121.223 0.231 0.000 2.083 471 L HA -0.114 4.226 4.340 0.000 0.000 0.209 471 L C 2.104 179.145 176.870 0.285 0.000 1.083 471 L CA 1.444 56.424 54.840 0.233 0.000 0.752 471 L CB -0.533 41.621 42.059 0.159 0.000 0.899 471 L HN 0.417 nan 8.230 nan 0.000 0.433 472 T N -3.353 111.300 114.554 0.164 0.000 3.317 472 T HA 0.115 4.465 4.350 0.000 0.000 0.250 472 T C 0.477 175.201 174.700 0.040 0.000 1.106 472 T CA 0.151 62.300 62.100 0.082 0.000 0.986 472 T CB -0.401 68.499 68.868 0.054 0.000 1.010 472 T HN 0.329 nan 8.240 nan 0.000 0.560 473 S N 0.430 116.186 115.700 0.094 0.000 2.537 473 S HA 0.570 5.040 4.470 0.000 0.000 0.270 473 S C -0.515 174.149 174.600 0.106 0.000 1.142 473 S CA -1.197 57.037 58.200 0.056 0.000 0.870 473 S CB 1.505 64.749 63.200 0.074 0.000 1.112 473 S HN 0.327 nan 8.310 nan 0.000 0.466 474 R N 0.715 121.242 120.500 0.045 0.000 3.261 474 R HA -0.180 4.160 4.340 0.000 0.000 0.257 474 R C -0.834 175.567 176.300 0.169 0.000 1.014 474 R CA 1.491 57.638 56.100 0.078 0.000 0.681 474 R CB -2.881 27.473 30.300 0.091 0.000 1.155 474 R HN 1.210 nan 8.270 nan 0.000 0.424 475 H N -4.232 114.854 119.070 0.027 0.000 3.139 475 H HA 0.160 4.716 4.556 0.000 0.000 0.325 475 H C 0.519 175.850 175.328 0.004 0.000 1.146 475 H CA -0.457 55.606 56.048 0.024 0.000 1.351 475 H CB 0.604 30.424 29.762 0.096 0.000 2.005 475 H HN -0.015 nan 8.280 nan 0.000 0.517 476 Q N 0.333 120.192 119.800 0.098 0.000 2.208 476 Q HA -0.253 4.087 4.340 0.000 0.000 0.219 476 Q C 0.391 176.389 176.000 -0.005 0.000 1.027 476 Q CA 2.419 58.246 55.803 0.039 0.000 0.925 476 Q CB 0.010 28.788 28.738 0.068 0.000 1.006 476 Q HN 0.658 nan 8.270 nan 0.000 0.415 477 E N -1.577 118.674 120.200 0.085 0.000 2.423 477 E HA 0.180 4.530 4.350 0.000 0.000 0.198 477 E C 0.764 177.179 176.600 -0.308 0.000 1.038 477 E CA 0.390 56.791 56.400 0.001 0.000 1.011 477 E CB 0.485 30.326 29.700 0.235 0.000 1.118 477 E HN 0.367 nan 8.360 nan 0.000 0.451 478 A N 1.663 124.029 122.820 -0.758 0.000 1.845 478 A HA -0.268 4.052 4.320 0.000 0.000 0.215 478 A C 2.109 179.567 177.584 -0.210 0.000 1.195 478 A CA 1.894 53.583 52.037 -0.580 0.000 0.616 478 A CB -0.415 18.321 19.000 -0.441 0.000 0.832 478 A HN 0.344 nan 8.150 nan 0.000 0.443 479 E N -0.564 119.539 120.200 -0.161 0.000 2.147 479 E HA -0.291 4.059 4.350 0.000 0.000 0.199 479 E C 1.928 178.486 176.600 -0.069 0.000 1.005 479 E CA 1.852 58.195 56.400 -0.095 0.000 0.810 479 E CB -0.504 29.148 29.700 -0.080 0.000 0.736 479 E HN 0.646 nan 8.360 nan 0.000 0.460 480 M N 0.474 120.040 119.600 -0.058 0.000 2.156 480 M HA -0.021 4.459 4.480 0.000 0.000 0.264 480 M C 2.359 178.661 176.300 0.003 0.000 1.067 480 M CA 1.737 57.026 55.300 -0.019 0.000 1.131 480 M CB -0.111 32.497 32.600 0.014 0.000 1.368 480 M HN 0.326 nan 8.290 nan 0.000 0.416 481 A N 0.146 122.982 122.820 0.026 0.000 1.933 481 A HA -0.225 4.095 4.320 0.000 0.000 0.218 481 A C 1.856 179.455 177.584 0.026 0.000 1.175 481 A CA 1.691 53.767 52.037 0.064 0.000 0.628 481 A CB -0.831 18.245 19.000 0.127 0.000 0.814 481 A HN 0.699 nan 8.150 nan 0.000 0.444 482 Q N -0.587 119.208 119.800 -0.008 0.000 2.234 482 Q HA -0.193 4.147 4.340 0.000 0.000 0.206 482 Q C 1.951 177.929 176.000 -0.038 0.000 0.980 482 Q CA 1.434 57.225 55.803 -0.021 0.000 0.869 482 Q CB -0.296 28.418 28.738 -0.041 0.000 0.912 482 Q HN 0.813 nan 8.270 nan 0.000 0.436 483 N N -0.154 118.517 118.700 -0.048 0.000 2.251 483 N HA -0.051 4.689 4.740 0.000 0.000 0.181 483 N C 1.793 177.244 175.510 -0.097 0.000 1.019 483 N CA 0.687 53.691 53.050 -0.077 0.000 0.862 483 N CB 0.095 38.536 38.487 -0.077 0.000 0.992 483 N HN 0.171 nan 8.380 nan 0.000 0.429 484 A N 1.211 123.996 122.820 -0.059 0.000 1.892 484 A HA -0.132 4.188 4.320 0.000 0.000 0.218 484 A C 2.348 179.923 177.584 -0.015 0.000 1.188 484 A CA 1.525 53.527 52.037 -0.058 0.000 0.631 484 A CB -1.025 18.041 19.000 0.110 0.000 0.822 484 A HN 0.175 nan 8.150 nan 0.000 0.447 485 V N 0.165 120.098 119.914 0.032 0.000 2.278 485 V HA -0.347 3.773 4.120 0.000 0.000 0.251 485 V C 2.686 178.772 176.094 -0.015 0.000 1.062 485 V CA 2.642 64.967 62.300 0.041 0.000 1.038 485 V CB -0.894 30.944 31.823 0.025 0.000 0.646 485 V HN 0.706 nan 8.190 nan 0.000 0.447 486 R N -0.194 120.258 120.500 -0.081 0.000 2.062 486 R HA -0.021 4.319 4.340 0.000 0.000 0.229 486 R C 2.238 178.366 176.300 -0.287 0.000 1.128 486 R CA 1.265 57.281 56.100 -0.140 0.000 0.960 486 R CB -0.233 29.989 30.300 -0.129 0.000 0.855 486 R HN 0.466 nan 8.270 nan 0.000 0.432 487 L N -0.010 121.009 121.223 -0.339 0.000 2.450 487 L HA -0.113 4.227 4.340 0.000 0.000 0.224 487 L C 0.716 177.205 176.870 -0.635 0.000 1.149 487 L CA 1.046 55.574 54.840 -0.520 0.000 0.816 487 L CB -0.216 41.564 42.059 -0.466 0.000 0.932 487 L HN 0.348 nan 8.230 nan 0.000 0.449 488 H N -2.088 116.857 119.070 -0.208 0.000 2.472 488 H HA 0.142 4.698 4.556 0.000 0.000 0.287 488 H C -0.641 174.777 175.328 0.150 0.000 1.112 488 H CA -0.661 55.396 56.048 0.015 0.000 1.021 488 H CB 0.113 29.903 29.762 0.047 0.000 1.635 488 H HN 0.057 nan 8.280 nan 0.000 0.559 489 Y N -0.391 119.953 120.300 0.073 0.000 2.981 489 Y HA -0.277 4.273 4.550 -0.000 0.000 0.204 489 Y C 1.476 177.399 175.900 0.039 0.000 1.265 489 Y CA 0.577 58.702 58.100 0.041 0.000 0.941 489 Y CB -1.649 36.832 38.460 0.035 0.000 1.254 489 Y HN 0.552 nan 8.280 nan 0.000 0.469 490 G N -1.047 107.815 108.800 0.104 0.000 2.781 490 G HA2 0.120 4.080 3.960 0.000 0.000 0.208 490 G HA3 0.120 4.080 3.960 0.000 0.000 0.208 490 G C 1.300 176.224 174.900 0.039 0.000 1.099 490 G CA 0.230 45.375 45.100 0.076 0.000 0.776 490 G HN 0.440 nan 8.290 nan 0.000 0.532 491 L N 0.867 122.103 121.223 0.022 0.000 2.021 491 L HA -0.107 4.233 4.340 0.000 0.000 0.215 491 L C 0.014 176.889 176.870 0.009 0.000 1.074 491 L CA 1.709 56.556 54.840 0.010 0.000 0.760 491 L CB -1.168 40.891 42.059 -0.000 0.000 0.889 491 L HN 0.153 nan 8.230 nan 0.000 0.433 492 P HA -0.191 nan 4.420 nan 0.000 0.215 492 P C 1.921 179.207 177.300 -0.024 0.000 1.157 492 P CA 1.263 64.365 63.100 0.004 0.000 0.868 492 P CB 0.031 31.746 31.700 0.026 0.000 0.788 493 V N -0.562 119.346 119.914 -0.011 0.000 2.759 493 V HA -0.151 3.969 4.120 0.000 0.000 0.256 493 V C 2.031 178.098 176.094 -0.046 0.000 1.080 493 V CA 1.544 63.826 62.300 -0.031 0.000 1.101 493 V CB -0.784 31.034 31.823 -0.009 0.000 0.698 493 V HN -0.107 nan 8.190 nan 0.000 0.477 494 V N -0.442 119.455 119.914 -0.028 0.000 2.358 494 V HA -0.156 3.964 4.120 0.000 0.000 0.246 494 V C 2.428 178.493 176.094 -0.048 0.000 1.047 494 V CA 2.002 64.288 62.300 -0.024 0.000 1.035 494 V CB -0.234 31.588 31.823 -0.002 0.000 0.658 494 V HN 0.448 nan 8.190 nan 0.000 0.452 495 V N 0.210 120.084 119.914 -0.066 0.000 2.453 495 V HA -0.229 3.891 4.120 0.000 0.000 0.247 495 V C 2.396 178.306 176.094 -0.306 0.000 1.048 495 V CA 2.159 64.402 62.300 -0.096 0.000 1.049 495 V CB -0.664 31.129 31.823 -0.049 0.000 0.672 495 V HN 0.590 nan 8.190 nan 0.000 0.457 496 K N 0.483 120.661 120.400 -0.369 0.000 2.063 496 K HA -0.183 4.137 4.320 0.000 0.000 0.208 496 K C 2.037 178.398 176.600 -0.399 0.000 1.048 496 K CA 1.702 57.641 56.287 -0.581 0.000 0.928 496 K CB -0.377 31.957 32.500 -0.276 0.000 0.713 496 K HN 0.389 nan 8.250 nan 0.000 0.442 497 L N 1.138 122.247 121.223 -0.190 0.000 2.351 497 L HA -0.175 4.165 4.340 0.000 0.000 0.220 497 L C 2.074 178.905 176.870 -0.064 0.000 1.127 497 L CA 0.696 55.477 54.840 -0.099 0.000 0.786 497 L CB -0.274 41.752 42.059 -0.055 0.000 0.914 497 L HN 0.285 nan 8.230 nan 0.000 0.443 498 L N -1.561 119.631 121.223 -0.051 0.000 2.291 498 L HA -0.086 4.254 4.340 0.000 0.000 0.214 498 L C 0.879 177.864 176.870 0.191 0.000 1.120 498 L CA 0.127 55.015 54.840 0.080 0.000 0.799 498 L CB -0.497 41.656 42.059 0.157 0.000 0.925 498 L HN 0.313 nan 8.230 nan 0.000 0.446 499 H N -1.020 118.011 119.070 -0.065 0.000 2.509 499 H HA 0.307 4.863 4.556 0.000 0.000 0.359 499 H C -1.997 173.264 175.328 -0.112 0.000 1.253 499 H CA -3.006 52.995 56.048 -0.077 0.000 1.373 499 H CB -0.584 29.148 29.762 -0.050 0.000 1.555 499 H HN -0.213 nan 8.280 nan 0.000 0.586 500 P HA -0.011 nan 4.420 nan 0.000 0.269 500 P C -1.694 175.567 177.300 -0.064 0.000 1.217 500 P CA -0.629 62.424 63.100 -0.077 0.000 0.783 500 P CB 0.250 31.906 31.700 -0.072 0.000 0.898 501 P HA 0.105 nan 4.420 nan 0.000 0.263 501 P C -0.600 176.508 177.300 -0.320 0.000 1.448 501 P CA 0.083 63.064 63.100 -0.199 0.000 0.983 501 P CB 0.213 31.812 31.700 -0.168 0.000 1.481 502 S N 1.081 116.643 115.700 -0.230 0.000 2.558 502 S HA 0.014 4.484 4.470 0.000 0.000 0.293 502 S C 0.628 175.033 174.600 -0.326 0.000 1.292 502 S CA 0.164 58.232 58.200 -0.220 0.000 1.063 502 S CB 0.020 63.145 63.200 -0.125 0.000 0.831 502 S HN 0.296 nan 8.310 nan 0.000 0.499 503 H N 0.562 119.556 119.070 -0.126 0.000 2.490 503 H HA 0.127 4.683 4.556 -0.000 0.000 0.354 503 H C 0.757 175.991 175.328 -0.158 0.000 1.365 503 H CA -0.562 55.392 56.048 -0.157 0.000 1.413 503 H CB 0.281 30.029 29.762 -0.023 0.000 1.631 503 H HN 0.805 nan 8.280 nan 0.000 0.607 504 W N 0.262 121.683 121.300 0.202 0.000 2.388 504 W HA -0.059 4.601 4.660 -0.000 0.000 0.294 504 W C -0.651 175.924 176.519 0.093 0.000 1.212 504 W CA 0.430 57.844 57.345 0.115 0.000 1.271 504 W CB -1.211 28.304 29.460 0.092 0.000 1.126 504 W HN 0.593 nan 8.180 nan 0.000 0.535 505 P HA -0.189 nan 4.420 nan 0.000 0.218 505 P C 1.604 179.005 177.300 0.169 0.000 1.149 505 P CA 1.267 64.494 63.100 0.212 0.000 0.817 505 P CB -0.124 31.671 31.700 0.158 0.000 0.785 506 L N -0.985 120.330 121.223 0.152 0.000 2.084 506 L HA 0.007 4.347 4.340 0.000 0.000 0.202 506 L C 2.153 179.080 176.870 0.096 0.000 1.074 506 L CA 1.515 56.414 54.840 0.098 0.000 0.757 506 L CB -1.142 40.956 42.059 0.065 0.000 0.918 506 L HN -0.173 nan 8.230 nan 0.000 0.444 507 I N -0.215 120.414 120.570 0.099 0.000 2.194 507 I HA -0.355 3.815 4.170 0.000 0.000 0.246 507 I C 2.591 178.825 176.117 0.195 0.000 1.093 507 I CA 1.521 62.887 61.300 0.109 0.000 1.355 507 I CB -0.459 37.560 38.000 0.033 0.000 1.046 507 I HN 0.340 nan 8.210 nan 0.000 0.413 508 K N 1.089 121.645 120.400 0.259 0.000 2.001 508 K HA -0.247 4.073 4.320 0.000 0.000 0.214 508 K C 2.221 178.902 176.600 0.135 0.000 1.050 508 K CA 1.906 58.318 56.287 0.208 0.000 0.934 508 K CB -0.224 32.388 32.500 0.186 0.000 0.718 508 K HN 0.321 nan 8.250 nan 0.000 0.443 509 A N 0.361 123.248 122.820 0.112 0.000 1.978 509 A HA -0.138 4.182 4.320 0.000 0.000 0.220 509 A C 2.094 179.714 177.584 0.061 0.000 1.170 509 A CA 2.183 54.265 52.037 0.074 0.000 0.636 509 A CB -0.788 18.243 19.000 0.053 0.000 0.810 509 A HN 0.455 nan 8.150 nan 0.000 0.448 510 T N -0.631 113.964 114.554 0.067 0.000 2.904 510 T HA -0.049 4.301 4.350 0.000 0.000 0.267 510 T C 1.796 176.534 174.700 0.064 0.000 1.059 510 T CA 1.343 63.475 62.100 0.052 0.000 1.137 510 T CB -0.203 68.691 68.868 0.043 0.000 0.879 510 T HN 0.185 nan 8.240 nan 0.000 0.467 511 V N 1.441 121.408 119.914 0.089 0.000 2.453 511 V HA -0.015 4.105 4.120 0.000 0.000 0.247 511 V C 2.871 179.011 176.094 0.075 0.000 1.048 511 V CA 1.767 64.122 62.300 0.091 0.000 1.049 511 V CB -1.296 30.597 31.823 0.116 0.000 0.672 511 V HN 0.554 nan 8.190 nan 0.000 0.457 512 G N 0.198 109.043 108.800 0.075 0.000 2.440 512 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 512 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 512 G C 1.573 176.508 174.900 0.058 0.000 1.154 512 G CA 1.262 46.403 45.100 0.069 0.000 0.767 512 G HN 0.422 nan 8.290 nan 0.000 0.552 513 L N 0.971 122.223 121.223 0.049 0.000 1.994 513 L HA 0.046 4.386 4.340 0.000 0.000 0.208 513 L C 2.734 179.628 176.870 0.040 0.000 1.071 513 L CA 1.408 56.272 54.840 0.039 0.000 0.745 513 L CB -0.639 41.436 42.059 0.027 0.000 0.892 513 L HN 0.292 nan 8.230 nan 0.000 0.431 514 I N -0.691 119.905 120.570 0.044 0.000 2.208 514 I HA -0.331 3.839 4.170 0.000 0.000 0.245 514 I C 2.757 178.901 176.117 0.046 0.000 1.097 514 I CA 1.448 62.775 61.300 0.046 0.000 1.363 514 I CB -0.499 37.533 38.000 0.053 0.000 1.051 514 I HN 0.345 nan 8.210 nan 0.000 0.413 515 R N 1.146 121.674 120.500 0.047 0.000 2.083 515 R HA -0.203 4.137 4.340 0.000 0.000 0.237 515 R C 2.137 178.455 176.300 0.031 0.000 1.137 515 R CA 2.049 58.172 56.100 0.038 0.000 0.951 515 R CB -0.231 30.094 30.300 0.042 0.000 0.851 515 R HN 0.416 nan 8.270 nan 0.000 0.434 516 N N 0.835 119.555 118.700 0.034 0.000 2.084 516 N HA -0.160 4.580 4.740 0.000 0.000 0.190 516 N C 1.990 177.510 175.510 0.018 0.000 1.030 516 N CA 1.243 54.308 53.050 0.026 0.000 0.849 516 N CB -0.465 38.043 38.487 0.035 0.000 1.012 516 N HN 0.246 nan 8.380 nan 0.000 0.423 517 L N 0.876 122.113 121.223 0.023 0.000 2.042 517 L HA -0.117 4.223 4.340 0.000 0.000 0.210 517 L C 2.287 179.172 176.870 0.026 0.000 1.076 517 L CA 1.188 56.038 54.840 0.015 0.000 0.749 517 L CB -0.615 41.456 42.059 0.020 0.000 0.893 517 L HN 0.125 nan 8.230 nan 0.000 0.432 518 A N -0.167 122.689 122.820 0.061 0.000 2.178 518 A HA -0.112 4.208 4.320 0.000 0.000 0.218 518 A C 2.227 179.907 177.584 0.160 0.000 1.157 518 A CA 1.060 53.180 52.037 0.138 0.000 0.689 518 A CB -0.605 18.455 19.000 0.099 0.000 0.787 518 A HN 0.406 nan 8.150 nan 0.000 0.465 519 L N -1.136 120.120 121.223 0.056 0.000 2.201 519 L HA -0.097 4.243 4.340 0.000 0.000 0.212 519 L C 1.386 178.241 176.870 -0.024 0.000 1.105 519 L CA 0.153 55.010 54.840 0.028 0.000 0.775 519 L CB -0.390 41.664 42.059 -0.008 0.000 0.913 519 L HN 0.518 nan 8.230 nan 0.000 0.440 520 C N 2.625 121.877 119.300 -0.080 0.000 2.416 520 C HA 0.190 4.650 4.460 0.000 0.000 0.355 520 C C -0.237 174.514 174.990 -0.399 0.000 1.211 520 C CA -1.970 56.949 59.018 -0.165 0.000 1.699 520 C CB 0.180 27.847 27.740 -0.122 0.000 2.310 520 C HN 0.169 nan 8.230 nan 0.000 0.539 521 P HA -0.166 nan 4.420 nan 0.000 0.217 521 P C 1.147 178.112 177.300 -0.557 0.000 1.151 521 P CA 2.319 64.964 63.100 -0.758 0.000 0.849 521 P CB 0.013 31.555 31.700 -0.263 0.000 0.787 522 A N -1.092 121.556 122.820 -0.287 0.000 2.264 522 A HA -0.067 4.253 4.320 0.000 0.000 0.207 522 A C 1.724 179.220 177.584 -0.147 0.000 1.196 522 A CA 0.935 52.871 52.037 -0.169 0.000 0.778 522 A CB -1.169 17.759 19.000 -0.121 0.000 0.779 522 A HN 0.139 nan 8.150 nan 0.000 0.483 523 N N -1.374 117.204 118.700 -0.204 0.000 2.227 523 N HA 0.122 4.862 4.740 0.000 0.000 0.196 523 N C 1.104 176.633 175.510 0.032 0.000 1.142 523 N CA 0.234 53.233 53.050 -0.085 0.000 0.887 523 N CB -0.188 38.258 38.487 -0.068 0.000 1.022 523 N HN 0.724 nan 8.380 nan 0.000 0.500 524 H N -0.112 118.957 119.070 -0.002 0.000 2.293 524 H HA -0.027 4.529 4.556 0.000 0.000 0.300 524 H C 1.864 177.205 175.328 0.021 0.000 1.082 524 H CA 1.381 57.435 56.048 0.011 0.000 1.308 524 H CB 0.244 30.015 29.762 0.014 0.000 1.375 524 H HN 0.203 nan 8.280 nan 0.000 0.495 525 A N 1.289 124.201 122.820 0.152 0.000 1.845 525 A HA -0.100 4.220 4.320 0.000 0.000 0.215 525 A C -0.193 177.423 177.584 0.055 0.000 1.195 525 A CA 1.436 53.525 52.037 0.088 0.000 0.616 525 A CB -1.391 17.644 19.000 0.058 0.000 0.832 525 A HN 0.284 nan 8.150 nan 0.000 0.443 526 P HA -0.179 nan 4.420 nan 0.000 0.216 526 P C 1.452 178.771 177.300 0.032 0.000 1.157 526 P CA 1.079 64.191 63.100 0.020 0.000 0.880 526 P CB -0.164 31.534 31.700 -0.003 0.000 0.791 527 L N -1.453 119.798 121.223 0.047 0.000 2.141 527 L HA -0.142 4.198 4.340 0.000 0.000 0.209 527 L C 2.811 179.713 176.870 0.054 0.000 1.094 527 L CA 1.281 56.152 54.840 0.052 0.000 0.763 527 L CB -0.535 41.564 42.059 0.067 0.000 0.908 527 L HN -0.066 nan 8.230 nan 0.000 0.437 528 R N 0.780 121.315 120.500 0.057 0.000 2.061 528 R HA -0.171 4.169 4.340 0.000 0.000 0.230 528 R C 1.960 178.285 176.300 0.042 0.000 1.140 528 R CA 1.581 57.711 56.100 0.051 0.000 0.940 528 R CB -0.126 30.206 30.300 0.054 0.000 0.839 528 R HN 0.331 nan 8.270 nan 0.000 0.429 529 E N -0.091 120.129 120.200 0.033 0.000 2.455 529 E HA -0.170 4.180 4.350 0.000 0.000 0.202 529 E C 1.560 178.178 176.600 0.031 0.000 1.045 529 E CA 0.484 56.899 56.400 0.025 0.000 0.872 529 E CB 0.197 29.906 29.700 0.016 0.000 0.792 529 E HN 0.324 nan 8.360 nan 0.000 0.542 530 Q N -0.854 118.968 119.800 0.037 0.000 2.356 530 Q HA 0.078 4.418 4.340 0.000 0.000 0.205 530 Q C 0.919 176.956 176.000 0.061 0.000 0.901 530 Q CA 0.595 56.422 55.803 0.040 0.000 0.938 530 Q CB 1.373 30.129 28.738 0.030 0.000 1.081 530 Q HN 0.370 nan 8.270 nan 0.000 0.517 531 G N 0.481 109.320 108.800 0.064 0.000 2.165 531 G HA2 -0.282 3.678 3.960 0.000 0.000 0.226 531 G HA3 -0.282 3.678 3.960 0.000 0.000 0.226 531 G C 0.826 175.788 174.900 0.104 0.000 1.035 531 G CA 0.534 45.684 45.100 0.083 0.000 0.744 531 G HN 0.428 nan 8.290 nan 0.000 0.501 532 A N -0.174 122.697 122.820 0.085 0.000 1.872 532 A HA 0.309 4.629 4.320 0.000 0.000 0.214 532 A C 2.399 180.033 177.584 0.084 0.000 1.187 532 A CA 1.711 53.803 52.037 0.091 0.000 0.614 532 A CB -0.309 18.733 19.000 0.071 0.000 0.826 532 A HN 0.787 nan 8.150 nan 0.000 0.442 533 I N 0.340 120.951 120.570 0.069 0.000 2.068 533 I HA -0.243 3.927 4.170 0.000 0.000 0.238 533 I C -0.461 175.693 176.117 0.061 0.000 1.046 533 I CA 2.029 63.367 61.300 0.065 0.000 1.306 533 I CB -1.571 36.462 38.000 0.056 0.000 1.023 533 I HN 0.207 nan 8.210 nan 0.000 0.399 534 P HA -0.212 nan 4.420 nan 0.000 0.216 534 P C 1.535 178.847 177.300 0.020 0.000 1.154 534 P CA 1.537 64.653 63.100 0.026 0.000 0.865 534 P CB -0.085 31.622 31.700 0.012 0.000 0.789 535 R N -0.255 120.264 120.500 0.032 0.000 2.115 535 R HA 0.024 4.364 4.340 0.000 0.000 0.226 535 R C 2.198 178.538 176.300 0.067 0.000 1.100 535 R CA 1.214 57.328 56.100 0.023 0.000 0.980 535 R CB -1.544 28.799 30.300 0.072 0.000 0.875 535 R HN 0.150 nan 8.270 nan 0.000 0.445 536 L N -0.569 120.706 121.223 0.087 0.000 2.056 536 L HA -0.134 4.206 4.340 0.000 0.000 0.207 536 L C 2.177 179.106 176.870 0.099 0.000 1.078 536 L CA 1.044 55.946 54.840 0.103 0.000 0.749 536 L CB -0.423 41.697 42.059 0.102 0.000 0.901 536 L HN 0.020 nan 8.230 nan 0.000 0.433 537 V N -0.828 119.133 119.914 0.079 0.000 2.295 537 V HA -0.277 3.843 4.120 0.000 0.000 0.246 537 V C 2.533 178.652 176.094 0.042 0.000 1.049 537 V CA 1.490 63.824 62.300 0.056 0.000 1.024 537 V CB -0.511 31.329 31.823 0.028 0.000 0.648 537 V HN 0.455 nan 8.190 nan 0.000 0.447 538 Q N -0.421 119.402 119.800 0.037 0.000 2.170 538 Q HA -0.058 4.282 4.340 0.000 0.000 0.203 538 Q C 2.197 178.245 176.000 0.080 0.000 0.976 538 Q CA 1.438 57.262 55.803 0.036 0.000 0.858 538 Q CB -0.345 28.397 28.738 0.006 0.000 0.907 538 Q HN 0.573 nan 8.270 nan 0.000 0.433 539 L N -0.053 121.237 121.223 0.113 0.000 2.156 539 L HA -0.143 4.197 4.340 0.000 0.000 0.208 539 L C 2.228 179.216 176.870 0.196 0.000 1.095 539 L CA 0.275 55.238 54.840 0.205 0.000 0.770 539 L CB -0.427 41.775 42.059 0.237 0.000 0.914 539 L HN 0.211 nan 8.230 nan 0.000 0.439 540 L N -0.240 121.064 121.223 0.135 0.000 1.994 540 L HA -0.148 4.192 4.340 0.000 0.000 0.208 540 L C 2.392 179.323 176.870 0.102 0.000 1.071 540 L CA 1.757 56.662 54.840 0.110 0.000 0.745 540 L CB -0.581 41.532 42.059 0.091 0.000 0.892 540 L HN -0.100 nan 8.230 nan 0.000 0.431 541 V N 0.323 120.284 119.914 0.079 0.000 2.219 541 V HA -0.349 3.771 4.120 0.000 0.000 0.248 541 V C 2.819 178.976 176.094 0.105 0.000 1.053 541 V CA 2.282 64.629 62.300 0.080 0.000 1.009 541 V CB -0.915 30.934 31.823 0.043 0.000 0.636 541 V HN 0.580 nan 8.190 nan 0.000 0.445 542 R N 1.035 121.603 120.500 0.112 0.000 2.119 542 R HA -0.198 4.142 4.340 0.000 0.000 0.246 542 R C 2.085 178.446 176.300 0.103 0.000 1.146 542 R CA 2.204 58.380 56.100 0.128 0.000 0.962 542 R CB -1.101 29.322 30.300 0.205 0.000 0.863 542 R HN 0.501 nan 8.270 nan 0.000 0.442 543 A N -0.865 122.013 122.820 0.097 0.000 1.898 543 A HA -0.176 4.144 4.320 0.000 0.000 0.216 543 A C 2.157 179.762 177.584 0.034 0.000 1.181 543 A CA 1.779 53.815 52.037 -0.002 0.000 0.620 543 A CB -0.922 18.062 19.000 -0.025 0.000 0.819 543 A HN 0.636 nan 8.150 nan 0.000 0.442 544 H N 0.074 119.134 119.070 -0.016 0.000 2.353 544 H HA -0.090 4.466 4.556 0.000 0.000 0.300 544 H C 2.084 177.401 175.328 -0.018 0.000 1.090 544 H CA 2.183 58.221 56.048 -0.015 0.000 1.327 544 H CB -0.252 29.507 29.762 -0.005 0.000 1.383 544 H HN 0.598 nan 8.280 nan 0.000 0.508 545 Q N -0.438 119.304 119.800 -0.096 0.000 2.170 545 Q HA -0.128 4.212 4.340 0.000 0.000 0.203 545 Q C 1.702 177.632 176.000 -0.116 0.000 0.976 545 Q CA 1.275 56.992 55.803 -0.144 0.000 0.858 545 Q CB 0.086 28.797 28.738 -0.046 0.000 0.907 545 Q HN 0.489 nan 8.270 nan 0.000 0.433 546 D N 0.056 120.411 120.400 -0.075 0.000 2.117 546 D HA -0.100 4.540 4.640 0.000 0.000 0.197 546 D C 1.388 177.637 176.300 -0.085 0.000 0.987 546 D CA 1.273 55.232 54.000 -0.067 0.000 0.829 546 D CB 0.029 40.781 40.800 -0.081 0.000 0.961 546 D HN 0.156 nan 8.370 nan 0.000 0.460 547 T N -0.167 114.325 114.554 -0.104 0.000 3.148 547 T HA -0.032 4.318 4.350 0.000 0.000 0.253 547 T C 1.523 176.158 174.700 -0.109 0.000 1.134 547 T CA 0.216 62.263 62.100 -0.089 0.000 1.051 547 T CB 0.312 69.144 68.868 -0.060 0.000 0.959 547 T HN -0.014 nan 8.240 nan 0.000 0.525 548 Q N 1.507 121.209 119.800 -0.162 0.000 2.008 548 Q HA 0.136 4.476 4.340 0.000 0.000 0.196 548 Q C 1.276 177.219 176.000 -0.094 0.000 0.973 548 Q CA 1.243 56.945 55.803 -0.169 0.000 0.826 548 Q CB 0.189 28.785 28.738 -0.236 0.000 0.894 548 Q HN 0.405 nan 8.270 nan 0.000 0.439 561 V N 3.557 123.528 119.914 0.095 0.000 2.439 561 V HA 0.409 4.529 4.120 0.000 0.000 0.271 561 V C 0.921 177.104 176.094 0.148 0.000 1.040 561 V CA 0.423 62.779 62.300 0.094 0.000 1.002 561 V CB 0.203 32.035 31.823 0.016 0.000 1.000 561 V HN 0.739 nan 8.190 nan 0.000 0.477 562 E N 3.854 124.167 120.200 0.188 0.000 2.637 562 E HA -0.242 4.108 4.350 0.000 0.000 0.265 562 E C 1.049 177.763 176.600 0.189 0.000 1.073 562 E CA 0.802 57.311 56.400 0.181 0.000 0.778 562 E CB -1.770 28.087 29.700 0.261 0.000 1.362 562 E HN 2.410 nan 8.360 nan 0.000 0.413 563 G N -0.962 107.993 108.800 0.258 0.000 2.168 563 G HA2 -0.330 3.630 3.960 0.000 0.000 0.257 563 G HA3 -0.330 3.630 3.960 0.000 0.000 0.257 563 G C 0.186 175.291 174.900 0.342 0.000 0.997 563 G CA 0.410 45.721 45.100 0.352 0.000 0.708 563 G HN 0.437 nan 8.290 nan 0.000 0.520 564 V N 1.284 121.303 119.914 0.175 0.000 2.447 564 V HA 0.436 4.556 4.120 0.000 0.000 0.292 564 V C 0.625 176.499 176.094 -0.366 0.000 1.021 564 V CA -0.997 61.256 62.300 -0.077 0.000 0.850 564 V CB 1.450 33.271 31.823 -0.003 0.000 1.005 564 V HN 0.573 nan 8.190 nan 0.000 0.426 565 R N 5.125 125.235 120.500 -0.650 0.000 2.401 565 R HA 0.339 4.679 4.340 0.000 0.000 0.299 565 R C 0.761 176.799 176.300 -0.436 0.000 1.064 565 R CA -0.578 55.107 56.100 -0.691 0.000 1.000 565 R CB 0.458 30.273 30.300 -0.807 0.000 0.973 565 R HN 0.481 nan 8.270 nan 0.000 0.438 566 M N 1.860 121.216 119.600 -0.406 0.000 2.629 566 M HA -0.108 4.372 4.480 0.000 0.000 0.257 566 M C 0.701 176.861 176.300 -0.234 0.000 1.071 566 M CA 1.449 56.515 55.300 -0.390 0.000 1.077 566 M CB -0.814 31.576 32.600 -0.349 0.000 1.423 566 M HN 0.711 nan 8.290 nan 0.000 0.508 567 E N 0.241 120.326 120.200 -0.193 0.000 2.358 567 E HA -0.091 4.259 4.350 0.000 0.000 0.195 567 E C 1.742 178.290 176.600 -0.086 0.000 1.010 567 E CA 0.540 56.878 56.400 -0.104 0.000 0.856 567 E CB 0.110 29.758 29.700 -0.088 0.000 0.795 567 E HN 0.574 nan 8.360 nan 0.000 0.504 568 E N 0.352 120.479 120.200 -0.122 0.000 2.112 568 E HA -0.111 4.239 4.350 0.000 0.000 0.190 568 E C 1.804 178.380 176.600 -0.040 0.000 0.979 568 E CA 0.526 56.882 56.400 -0.073 0.000 0.814 568 E CB 0.110 29.760 29.700 -0.084 0.000 0.762 568 E HN 0.215 nan 8.360 nan 0.000 0.460 569 I N 1.064 121.586 120.570 -0.080 0.000 2.202 569 I HA -0.195 3.975 4.170 0.000 0.000 0.242 569 I C 2.499 178.627 176.117 0.019 0.000 1.091 569 I CA 0.965 62.252 61.300 -0.022 0.000 1.368 569 I CB -1.149 36.776 38.000 -0.126 0.000 1.058 569 I HN -0.016 nan 8.210 nan 0.000 0.410 570 V N 0.939 120.849 119.914 -0.006 0.000 2.332 570 V HA -0.291 3.829 4.120 0.000 0.000 0.248 570 V C 2.580 178.701 176.094 0.044 0.000 1.055 570 V CA 2.068 64.389 62.300 0.035 0.000 1.038 570 V CB -0.734 31.112 31.823 0.038 0.000 0.651 570 V HN 0.467 nan 8.190 nan 0.000 0.450 571 E N -0.028 120.187 120.200 0.026 0.000 2.106 571 E HA -0.132 4.218 4.350 0.000 0.000 0.192 571 E C 2.244 178.872 176.600 0.047 0.000 0.984 571 E CA 1.124 57.543 56.400 0.032 0.000 0.806 571 E CB -0.288 29.424 29.700 0.020 0.000 0.750 571 E HN 0.606 nan 8.360 nan 0.000 0.458 572 G N 0.631 109.462 108.800 0.051 0.000 2.464 572 G HA2 -0.268 3.692 3.960 0.000 0.000 0.214 572 G HA3 -0.268 3.692 3.960 0.000 0.000 0.214 572 G C 1.732 176.680 174.900 0.080 0.000 1.218 572 G CA 0.893 46.033 45.100 0.067 0.000 0.794 572 G HN 0.376 nan 8.290 nan 0.000 0.542 573 C N 0.599 119.956 119.300 0.096 0.000 2.386 573 C HA -0.085 4.375 4.460 0.000 0.000 0.279 573 C C 3.233 178.289 174.990 0.111 0.000 1.208 573 C CA 1.672 60.757 59.018 0.112 0.000 1.747 573 C CB -1.315 26.503 27.740 0.130 0.000 2.046 573 C HN 0.465 nan 8.230 nan 0.000 0.453 574 T N 0.623 115.249 114.554 0.120 0.000 2.624 574 T HA -0.155 4.195 4.350 0.000 0.000 0.268 574 T C 1.946 176.669 174.700 0.040 0.000 1.041 574 T CA 2.141 64.299 62.100 0.097 0.000 1.159 574 T CB -0.954 67.961 68.868 0.079 0.000 0.863 574 T HN 0.735 nan 8.240 nan 0.000 0.434 575 G N 0.944 109.780 108.800 0.060 0.000 2.442 575 G HA2 -0.093 3.867 3.960 0.000 0.000 0.219 575 G HA3 -0.093 3.867 3.960 0.000 0.000 0.219 575 G C 1.808 176.745 174.900 0.061 0.000 1.141 575 G CA 1.052 46.204 45.100 0.086 0.000 0.763 575 G HN 0.628 nan 8.290 nan 0.000 0.554 576 A N 0.349 123.202 122.820 0.054 0.000 1.930 576 A HA 0.164 4.484 4.320 0.000 0.000 0.217 576 A C 2.443 180.042 177.584 0.026 0.000 1.175 576 A CA 1.177 53.238 52.037 0.040 0.000 0.627 576 A CB -0.324 18.711 19.000 0.059 0.000 0.815 576 A HN 0.359 nan 8.150 nan 0.000 0.443 577 L N -1.506 119.743 121.223 0.043 0.000 2.027 577 L HA -0.212 4.128 4.340 0.000 0.000 0.206 577 L C 2.610 179.474 176.870 -0.011 0.000 1.074 577 L CA 1.781 56.639 54.840 0.029 0.000 0.745 577 L CB -0.909 41.197 42.059 0.077 0.000 0.898 577 L HN 0.682 nan 8.230 nan 0.000 0.433 578 H N 0.559 119.536 119.070 -0.156 0.000 2.325 578 H HA -0.251 4.305 4.556 0.000 0.000 0.293 578 H C 2.270 177.513 175.328 -0.142 0.000 1.106 578 H CA 2.119 58.046 56.048 -0.202 0.000 1.247 578 H CB 0.179 29.828 29.762 -0.188 0.000 1.359 578 H HN 0.231 nan 8.280 nan 0.000 0.488 579 I N 0.744 121.185 120.570 -0.215 0.000 2.252 579 I HA -0.242 3.928 4.170 0.000 0.000 0.245 579 I C 2.664 178.651 176.117 -0.216 0.000 1.102 579 I CA 0.798 61.947 61.300 -0.252 0.000 1.385 579 I CB -0.649 37.262 38.000 -0.149 0.000 1.064 579 I HN 0.369 nan 8.210 nan 0.000 0.414 580 L N 1.026 122.146 121.223 -0.172 0.000 2.201 580 L HA -0.106 4.234 4.340 0.000 0.000 0.212 580 L C 2.468 179.178 176.870 -0.266 0.000 1.105 580 L CA 0.809 55.497 54.840 -0.253 0.000 0.775 580 L CB -0.536 41.465 42.059 -0.096 0.000 0.913 580 L HN 0.183 nan 8.230 nan 0.000 0.440 581 A N -0.203 122.524 122.820 -0.156 0.000 2.263 581 A HA -0.091 4.229 4.320 0.000 0.000 0.205 581 A C 2.079 179.587 177.584 -0.127 0.000 1.226 581 A CA 0.614 52.584 52.037 -0.112 0.000 0.810 581 A CB -0.573 18.383 19.000 -0.074 0.000 0.784 581 A HN 0.363 nan 8.150 nan 0.000 0.486 582 R N -0.417 119.959 120.500 -0.207 0.000 2.240 582 R HA 0.010 4.350 4.340 0.000 0.000 0.203 582 R C -0.176 176.054 176.300 -0.117 0.000 1.011 582 R CA 0.395 56.409 56.100 -0.143 0.000 1.007 582 R CB 0.104 30.332 30.300 -0.120 0.000 0.911 582 R HN 0.440 nan 8.270 nan 0.000 0.468 583 D N 0.195 120.488 120.400 -0.177 0.000 2.198 583 D HA -0.002 4.638 4.640 0.000 0.000 0.245 583 D C 0.985 177.228 176.300 -0.094 0.000 1.079 583 D CA -0.226 53.726 54.000 -0.081 0.000 0.854 583 D CB 2.084 42.859 40.800 -0.042 0.000 1.148 583 D HN -0.234 nan 8.370 nan 0.000 0.456 584 V N 5.610 125.435 119.914 -0.148 0.000 2.392 584 V HA -0.238 3.882 4.120 0.000 0.000 0.249 584 V C 1.671 177.646 176.094 -0.199 0.000 1.059 584 V CA 1.834 64.010 62.300 -0.206 0.000 1.051 584 V CB -0.591 31.050 31.823 -0.303 0.000 0.658 584 V HN 0.629 nan 8.190 nan 0.000 0.455 585 H N 0.015 119.086 119.070 0.000 0.000 2.423 585 H HA -0.026 4.530 4.556 0.000 0.000 0.297 585 H C 2.258 177.586 175.328 -0.000 0.000 1.075 585 H CA 1.608 57.659 56.048 0.004 0.000 1.342 585 H CB -0.351 29.418 29.762 0.012 0.000 1.395 585 H HN 0.456 nan 8.280 nan 0.000 0.530 586 N N 0.988 119.737 118.700 0.082 0.000 2.142 586 N HA -0.077 4.663 4.740 0.000 0.000 0.186 586 N C 2.040 177.563 175.510 0.021 0.000 1.023 586 N CA 0.549 53.621 53.050 0.036 0.000 0.852 586 N CB -0.169 38.301 38.487 -0.027 0.000 0.998 586 N HN 0.316 nan 8.380 nan 0.000 0.424 587 R N 0.475 120.973 120.500 -0.004 0.000 2.091 587 R HA -0.018 4.322 4.340 0.000 0.000 0.238 587 R C 2.139 178.452 176.300 0.021 0.000 1.136 587 R CA 0.960 57.059 56.100 -0.001 0.000 0.959 587 R CB -0.456 29.828 30.300 -0.026 0.000 0.856 587 R HN 0.285 nan 8.270 nan 0.000 0.437 588 I N 0.295 120.881 120.570 0.026 0.000 2.286 588 I HA -0.259 3.911 4.170 0.000 0.000 0.248 588 I C 2.262 178.404 176.117 0.041 0.000 1.115 588 I CA 1.091 62.413 61.300 0.036 0.000 1.392 588 I CB -0.235 37.798 38.000 0.055 0.000 1.065 588 I HN -0.021 nan 8.210 nan 0.000 0.418 589 V N 1.088 121.030 119.914 0.048 0.000 2.323 589 V HA -0.243 3.877 4.120 0.000 0.000 0.244 589 V C 2.320 178.440 176.094 0.044 0.000 1.041 589 V CA 1.756 64.082 62.300 0.044 0.000 1.025 589 V CB -0.355 31.496 31.823 0.047 0.000 0.656 589 V HN 0.307 nan 8.190 nan 0.000 0.451 590 I N -0.369 120.236 120.570 0.058 0.000 2.208 590 I HA -0.300 3.870 4.170 0.000 0.000 0.245 590 I C 2.768 178.928 176.117 0.072 0.000 1.097 590 I CA 1.784 63.136 61.300 0.086 0.000 1.363 590 I CB -0.474 37.603 38.000 0.130 0.000 1.051 590 I HN 0.213 nan 8.210 nan 0.000 0.413 591 R N 0.943 121.479 120.500 0.061 0.000 2.081 591 R HA -0.136 4.204 4.340 0.000 0.000 0.235 591 R C 2.237 178.549 176.300 0.020 0.000 1.131 591 R CA 1.551 57.676 56.100 0.042 0.000 0.960 591 R CB -0.552 29.768 30.300 0.033 0.000 0.856 591 R HN 0.441 nan 8.270 nan 0.000 0.436 592 G N 0.050 108.863 108.800 0.021 0.000 2.653 592 G HA2 -0.105 3.855 3.960 0.000 0.000 0.212 592 G HA3 -0.105 3.855 3.960 0.000 0.000 0.212 592 G C 0.922 175.823 174.900 0.002 0.000 1.138 592 G CA 0.250 45.357 45.100 0.012 0.000 0.782 592 G HN 0.241 nan 8.290 nan 0.000 0.535 593 L N -0.238 120.983 121.223 -0.003 0.000 3.110 593 L HA 0.275 4.615 4.340 0.000 0.000 0.266 593 L C 0.703 177.545 176.870 -0.048 0.000 1.257 593 L CA -0.535 54.293 54.840 -0.019 0.000 1.038 593 L CB -0.189 41.862 42.059 -0.013 0.000 1.395 593 L HN 0.138 nan 8.230 nan 0.000 0.566 594 N N 1.406 120.080 118.700 -0.044 0.000 2.699 594 N HA -0.227 4.513 4.740 0.000 0.000 0.256 594 N C 1.076 176.504 175.510 -0.137 0.000 0.993 594 N CA 1.034 54.044 53.050 -0.066 0.000 0.759 594 N CB -0.347 38.107 38.487 -0.054 0.000 0.906 594 N HN 0.585 nan 8.380 nan 0.000 0.541 595 T N -3.380 111.062 114.554 -0.186 0.000 3.044 595 T HA 0.153 4.503 4.350 0.000 0.000 0.255 595 T C 1.968 176.333 174.700 -0.560 0.000 1.073 595 T CA 0.618 62.427 62.100 -0.485 0.000 1.125 595 T CB -0.142 68.366 68.868 -0.599 0.000 0.908 595 T HN 0.346 nan 8.240 nan 0.000 0.480 596 I N 2.289 122.770 120.570 -0.148 0.000 2.236 596 I HA -0.107 4.063 4.170 0.000 0.000 0.249 596 I C -0.668 175.427 176.117 -0.038 0.000 1.102 596 I CA 1.392 62.709 61.300 0.028 0.000 1.365 596 I CB -1.216 36.817 38.000 0.055 0.000 1.051 596 I HN 0.270 nan 8.210 nan 0.000 0.420 597 P HA -0.131 nan 4.420 nan 0.000 0.221 597 P C 1.665 178.909 177.300 -0.092 0.000 1.150 597 P CA 0.982 64.046 63.100 -0.061 0.000 0.800 597 P CB 0.098 31.762 31.700 -0.060 0.000 0.787 598 L N -1.610 119.476 121.223 -0.228 0.000 2.071 598 L HA 0.029 4.369 4.340 0.000 0.000 0.201 598 L C 2.073 178.825 176.870 -0.198 0.000 1.076 598 L CA 1.723 56.397 54.840 -0.276 0.000 0.755 598 L CB -1.418 40.375 42.059 -0.444 0.000 0.915 598 L HN -0.211 nan 8.230 nan 0.000 0.445 599 F N -0.367 119.540 119.950 -0.070 0.000 2.063 599 F HA -0.249 4.278 4.527 0.000 0.000 0.298 599 F C 2.576 178.349 175.800 -0.044 0.000 1.109 599 F CA 1.707 59.661 58.000 -0.076 0.000 1.212 599 F CB -1.725 37.230 39.000 -0.074 0.000 0.973 599 F HN -0.097 nan 8.300 nan 0.000 0.480 600 V N -0.323 119.696 119.914 0.175 0.000 2.278 600 V HA -0.372 3.748 4.120 0.000 0.000 0.251 600 V C 2.460 178.681 176.094 0.210 0.000 1.062 600 V CA 2.292 64.676 62.300 0.140 0.000 1.038 600 V CB -0.889 31.006 31.823 0.121 0.000 0.646 600 V HN 0.273 nan 8.190 nan 0.000 0.447 601 Q N -0.485 119.417 119.800 0.170 0.000 2.096 601 Q HA -0.168 4.172 4.340 0.000 0.000 0.204 601 Q C 2.088 178.237 176.000 0.247 0.000 0.982 601 Q CA 1.776 57.703 55.803 0.207 0.000 0.850 601 Q CB -0.550 28.225 28.738 0.060 0.000 0.901 601 Q HN 0.639 nan 8.270 nan 0.000 0.422 602 L N -0.375 120.894 121.223 0.077 0.000 2.079 602 L HA -0.225 4.115 4.340 0.000 0.000 0.210 602 L C 2.034 178.962 176.870 0.098 0.000 1.081 602 L CA 0.916 55.781 54.840 0.043 0.000 0.752 602 L CB -0.571 41.499 42.059 0.019 0.000 0.896 602 L HN 0.300 nan 8.230 nan 0.000 0.433 603 L N -1.351 119.915 121.223 0.071 0.000 2.270 603 L HA -0.263 4.077 4.340 0.000 0.000 0.217 603 L C 1.525 178.330 176.870 -0.109 0.000 1.107 603 L CA 1.226 56.030 54.840 -0.059 0.000 0.772 603 L CB -0.718 41.243 42.059 -0.164 0.000 0.902 603 L HN 0.295 nan 8.230 nan 0.000 0.439 604 Y N -0.501 119.813 120.300 0.023 0.000 2.470 604 Y HA 0.103 4.653 4.550 0.000 0.000 0.302 604 Y C 1.517 177.440 175.900 0.038 0.000 1.194 604 Y CA -0.329 57.790 58.100 0.031 0.000 1.271 604 Y CB -0.187 38.296 38.460 0.039 0.000 1.092 604 Y HN 0.034 nan 8.280 nan 0.000 0.513 605 S N 1.820 117.603 115.700 0.138 0.000 2.601 605 S HA 0.180 4.650 4.470 0.000 0.000 0.271 605 S C -1.280 173.361 174.600 0.068 0.000 1.305 605 S CA -1.261 57.001 58.200 0.103 0.000 1.022 605 S CB 1.176 64.421 63.200 0.075 0.000 0.940 605 S HN 0.155 nan 8.310 nan 0.000 0.525 606 P HA 0.266 nan 4.420 nan 0.000 0.251 606 P C -0.110 177.208 177.300 0.030 0.000 1.223 606 P CA 0.204 63.330 63.100 0.043 0.000 0.796 606 P CB -0.014 31.712 31.700 0.042 0.000 1.068 607 I N 0.720 121.308 120.570 0.029 0.000 2.342 607 I HA 0.137 4.307 4.170 0.000 0.000 0.291 607 I C 1.631 177.759 176.117 0.018 0.000 1.010 607 I CA -0.476 60.837 61.300 0.021 0.000 1.308 607 I CB 1.138 39.149 38.000 0.018 0.000 1.400 607 I HN -0.205 nan 8.210 nan 0.000 0.488 608 E N 3.901 124.110 120.200 0.015 0.000 2.031 608 E HA -0.197 4.153 4.350 0.000 0.000 0.193 608 E C 1.446 178.054 176.600 0.014 0.000 0.994 608 E CA 1.150 57.558 56.400 0.012 0.000 0.800 608 E CB -0.026 29.681 29.700 0.011 0.000 0.752 608 E HN 0.608 nan 8.360 nan 0.000 0.447 609 N N 1.037 119.748 118.700 0.019 0.000 2.061 609 N HA -0.183 4.557 4.740 0.000 0.000 0.193 609 N C 1.990 177.513 175.510 0.021 0.000 1.030 609 N CA 1.118 54.183 53.050 0.025 0.000 0.856 609 N CB -0.271 38.232 38.487 0.027 0.000 1.023 609 N HN 0.192 nan 8.380 nan 0.000 0.424 610 I N 1.742 122.322 120.570 0.016 0.000 2.208 610 I HA -0.303 3.867 4.170 0.000 0.000 0.245 610 I C 2.362 178.476 176.117 -0.005 0.000 1.097 610 I CA 1.130 62.437 61.300 0.012 0.000 1.363 610 I CB -0.299 37.714 38.000 0.022 0.000 1.051 610 I HN 0.224 nan 8.210 nan 0.000 0.413 611 Q N 0.289 120.087 119.800 -0.002 0.000 2.002 611 Q HA -0.264 4.076 4.340 0.000 0.000 0.204 611 Q C 2.317 178.299 176.000 -0.030 0.000 0.988 611 Q CA 1.573 57.365 55.803 -0.019 0.000 0.843 611 Q CB -0.376 28.353 28.738 -0.015 0.000 0.908 611 Q HN 0.419 nan 8.270 nan 0.000 0.420 612 R N 0.626 121.127 120.500 0.001 0.000 2.171 612 R HA -0.219 4.121 4.340 0.000 0.000 0.232 612 R C 2.427 178.702 176.300 -0.042 0.000 1.116 612 R CA 2.472 58.597 56.100 0.042 0.000 0.901 612 R CB -0.713 29.633 30.300 0.075 0.000 0.850 612 R HN 0.350 nan 8.270 nan 0.000 0.431 613 V N -1.515 118.362 119.914 -0.062 0.000 2.546 613 V HA -0.158 3.962 4.120 0.000 0.000 0.254 613 V C 2.215 178.074 176.094 -0.392 0.000 1.076 613 V CA 1.906 64.080 62.300 -0.209 0.000 1.087 613 V CB -1.194 30.620 31.823 -0.014 0.000 0.674 613 V HN 0.489 nan 8.190 nan 0.000 0.470 614 A N 0.592 123.264 122.820 -0.247 0.000 1.929 614 A HA 0.253 4.573 4.320 0.000 0.000 0.216 614 A C 2.402 179.794 177.584 -0.319 0.000 1.176 614 A CA 1.852 53.736 52.037 -0.255 0.000 0.628 614 A CB -0.829 18.118 19.000 -0.089 0.000 0.816 614 A HN 0.955 nan 8.150 nan 0.000 0.444 615 A N -0.828 121.826 122.820 -0.277 0.000 2.123 615 A HA 0.327 4.647 4.320 0.000 0.000 0.214 615 A C 2.170 179.420 177.584 -0.557 0.000 1.152 615 A CA 1.355 53.234 52.037 -0.262 0.000 0.728 615 A CB -0.801 18.148 19.000 -0.084 0.000 0.814 615 A HN 0.586 nan 8.150 nan 0.000 0.464 616 G N -0.813 107.416 108.800 -0.952 0.000 2.395 616 G HA2 -0.040 3.920 3.960 0.000 0.000 0.214 616 G HA3 -0.040 3.920 3.960 0.000 0.000 0.214 616 G C 1.543 175.812 174.900 -1.052 0.000 1.177 616 G CA 0.993 45.045 45.100 -1.746 0.000 0.794 616 G HN 0.381 nan 8.290 nan 0.000 0.532 617 V N 0.626 120.020 119.914 -0.866 0.000 2.490 617 V HA -0.017 4.103 4.120 0.000 0.000 0.250 617 V C 2.746 178.576 176.094 -0.440 0.000 1.061 617 V CA 1.499 63.441 62.300 -0.596 0.000 1.064 617 V CB -0.186 31.095 31.823 -0.904 0.000 0.670 617 V HN 0.380 nan 8.190 nan 0.000 0.461 618 L N -0.809 120.169 121.223 -0.409 0.000 2.179 618 L HA -0.123 4.217 4.340 0.000 0.000 0.208 618 L C 2.698 179.459 176.870 -0.183 0.000 1.096 618 L CA 1.488 56.202 54.840 -0.211 0.000 0.779 618 L CB -0.613 41.360 42.059 -0.143 0.000 0.922 618 L HN 0.557 nan 8.230 nan 0.000 0.443 619 C N 0.014 119.150 119.300 -0.273 0.000 2.440 619 C HA -0.105 4.355 4.460 0.000 0.000 0.278 619 C C 2.739 177.649 174.990 -0.133 0.000 1.295 619 C CA 0.665 59.575 59.018 -0.181 0.000 1.738 619 C CB -0.463 27.126 27.740 -0.252 0.000 1.987 619 C HN 0.456 nan 8.230 nan 0.000 0.492 620 E N 0.790 120.878 120.200 -0.187 0.000 2.047 620 E HA -0.086 4.264 4.350 0.000 0.000 0.191 620 E C 2.212 178.767 176.600 -0.075 0.000 0.987 620 E CA 1.261 57.599 56.400 -0.104 0.000 0.799 620 E CB -0.567 29.076 29.700 -0.095 0.000 0.752 620 E HN 0.694 nan 8.360 nan 0.000 0.449 621 L N 0.437 121.610 121.223 -0.083 0.000 2.093 621 L HA -0.067 4.273 4.340 0.000 0.000 0.208 621 L C 2.320 179.170 176.870 -0.033 0.000 1.085 621 L CA 0.919 55.734 54.840 -0.042 0.000 0.755 621 L CB -0.489 41.563 42.059 -0.012 0.000 0.904 621 L HN 0.014 nan 8.230 nan 0.000 0.435 622 A N -0.366 122.428 122.820 -0.042 0.000 2.259 622 A HA -0.161 4.159 4.320 0.000 0.000 0.212 622 A C 2.079 179.640 177.584 -0.038 0.000 1.178 622 A CA 0.797 52.812 52.037 -0.036 0.000 0.734 622 A CB -0.415 18.563 19.000 -0.037 0.000 0.774 622 A HN 0.533 nan 8.150 nan 0.000 0.481 623 Q N -0.002 119.778 119.800 -0.034 0.000 2.167 623 Q HA -0.078 4.262 4.340 0.000 0.000 0.202 623 Q C 0.318 176.296 176.000 -0.038 0.000 0.970 623 Q CA 0.602 56.386 55.803 -0.032 0.000 0.855 623 Q CB -0.099 28.625 28.738 -0.023 0.000 0.911 623 Q HN 0.607 nan 8.270 nan 0.000 0.438 624 D N -0.263 120.117 120.400 -0.034 0.000 2.369 624 D HA 0.038 4.678 4.640 0.000 0.000 0.241 624 D C 1.069 177.347 176.300 -0.036 0.000 1.271 624 D CA 0.616 54.597 54.000 -0.031 0.000 0.942 624 D CB 0.868 41.654 40.800 -0.023 0.000 1.129 624 D HN 0.086 nan 8.370 nan 0.000 0.476 625 K N 0.625 121.006 120.400 -0.032 0.000 2.202 625 K HA -0.011 4.309 4.320 0.000 0.000 0.201 625 K C 1.899 178.483 176.600 -0.027 0.000 1.051 625 K CA 0.898 57.164 56.287 -0.035 0.000 0.977 625 K CB -0.405 32.076 32.500 -0.032 0.000 0.792 625 K HN 0.498 nan 8.250 nan 0.000 0.469 626 E N -0.141 120.048 120.200 -0.019 0.000 2.028 626 E HA 0.007 4.357 4.350 0.000 0.000 0.190 626 E C 2.472 179.066 176.600 -0.010 0.000 0.984 626 E CA 0.845 57.237 56.400 -0.013 0.000 0.800 626 E CB -0.075 29.620 29.700 -0.008 0.000 0.758 626 E HN 0.531 nan 8.360 nan 0.000 0.448 627 A N 1.461 124.275 122.820 -0.009 0.000 1.883 627 A HA -0.176 4.144 4.320 0.000 0.000 0.217 627 A C 2.374 179.954 177.584 -0.006 0.000 1.186 627 A CA 1.903 53.938 52.037 -0.003 0.000 0.624 627 A CB -0.727 18.273 19.000 -0.001 0.000 0.822 627 A HN 0.326 nan 8.150 nan 0.000 0.444 628 A N -0.391 122.418 122.820 -0.018 0.000 1.940 628 A HA -0.189 4.131 4.320 0.000 0.000 0.219 628 A C 1.905 179.477 177.584 -0.020 0.000 1.176 628 A CA 1.696 53.718 52.037 -0.025 0.000 0.631 628 A CB -0.485 18.489 19.000 -0.043 0.000 0.814 628 A HN 0.656 nan 8.150 nan 0.000 0.446 629 E N -0.703 119.485 120.200 -0.019 0.000 2.358 629 E HA 0.080 4.431 4.350 0.000 0.000 0.195 629 E C 2.076 178.672 176.600 -0.006 0.000 1.010 629 E CA 0.523 56.914 56.400 -0.015 0.000 0.856 629 E CB -0.108 29.582 29.700 -0.017 0.000 0.795 629 E HN 0.635 nan 8.360 nan 0.000 0.504 630 A N 0.946 123.764 122.820 -0.002 0.000 1.975 630 A HA -0.040 4.280 4.320 0.000 0.000 0.215 630 A C 2.063 179.653 177.584 0.009 0.000 1.170 630 A CA 0.456 52.495 52.037 0.003 0.000 0.656 630 A CB -0.255 18.748 19.000 0.004 0.000 0.821 630 A HN 0.095 nan 8.150 nan 0.000 0.449 631 I N -0.528 120.048 120.570 0.011 0.000 2.252 631 I HA -0.186 3.984 4.170 0.000 0.000 0.245 631 I C 2.586 178.713 176.117 0.017 0.000 1.102 631 I CA 1.381 62.693 61.300 0.019 0.000 1.385 631 I CB -0.304 37.704 38.000 0.015 0.000 1.064 631 I HN 0.338 nan 8.210 nan 0.000 0.414 632 E N 2.001 122.206 120.200 0.008 0.000 2.038 632 E HA -0.236 4.114 4.350 0.000 0.000 0.195 632 E C 2.176 178.784 176.600 0.014 0.000 1.000 632 E CA 1.893 58.297 56.400 0.008 0.000 0.803 632 E CB -0.135 29.565 29.700 -0.001 0.000 0.750 632 E HN 0.418 nan 8.360 nan 0.000 0.448 633 A N 0.606 123.432 122.820 0.010 0.000 2.178 633 A HA -0.151 4.169 4.320 0.000 0.000 0.218 633 A C 1.890 179.485 177.584 0.017 0.000 1.157 633 A CA 1.645 53.689 52.037 0.011 0.000 0.689 633 A CB -0.353 18.651 19.000 0.006 0.000 0.787 633 A HN 0.178 nan 8.150 nan 0.000 0.465 634 E N -1.074 119.140 120.200 0.024 0.000 2.400 634 E HA 0.247 4.597 4.350 0.000 0.000 0.195 634 E C 1.090 177.722 176.600 0.053 0.000 1.012 634 E CA 0.799 57.219 56.400 0.033 0.000 0.875 634 E CB -0.116 29.605 29.700 0.035 0.000 0.859 634 E HN 0.767 nan 8.360 nan 0.000 0.498 635 G N -0.248 108.583 108.800 0.053 0.000 2.140 635 G HA2 -0.221 3.739 3.960 0.000 0.000 0.211 635 G HA3 -0.221 3.739 3.960 0.000 0.000 0.211 635 G C 0.805 175.757 174.900 0.087 0.000 1.013 635 G CA 0.402 45.546 45.100 0.073 0.000 0.705 635 G HN 0.481 nan 8.290 nan 0.000 0.508 636 A N -0.598 122.254 122.820 0.054 0.000 2.238 636 A HA 0.461 4.781 4.320 0.000 0.000 0.208 636 A C 2.153 179.731 177.584 -0.010 0.000 1.177 636 A CA 2.137 54.188 52.037 0.024 0.000 0.804 636 A CB -0.307 18.704 19.000 0.020 0.000 0.823 636 A HN 0.582 nan 8.150 nan 0.000 0.482 637 T N 0.171 114.728 114.554 0.005 0.000 2.770 637 T HA 0.053 4.403 4.350 0.000 0.000 0.258 637 T C 2.373 177.064 174.700 -0.015 0.000 1.039 637 T CA 1.303 63.400 62.100 -0.004 0.000 1.143 637 T CB -0.417 68.457 68.868 0.009 0.000 0.866 637 T HN 0.564 nan 8.240 nan 0.000 0.428 638 A N 2.970 125.793 122.820 0.005 0.000 1.852 638 A HA -0.120 4.200 4.320 0.000 0.000 0.217 638 A C 0.500 178.049 177.584 -0.059 0.000 1.215 638 A CA 1.967 54.007 52.037 0.005 0.000 0.641 638 A CB -1.830 17.204 19.000 0.058 0.000 0.838 638 A HN 0.430 nan 8.150 nan 0.000 0.450 639 P HA -0.171 nan 4.420 nan 0.000 0.216 639 P C 1.630 178.802 177.300 -0.214 0.000 1.150 639 P CA 1.315 64.213 63.100 -0.336 0.000 0.843 639 P CB -0.231 31.043 31.700 -0.709 0.000 0.787 640 L N -0.745 120.391 121.223 -0.144 0.000 2.056 640 L HA -0.122 4.218 4.340 0.000 0.000 0.207 640 L C 2.747 179.545 176.870 -0.121 0.000 1.078 640 L CA 1.948 56.720 54.840 -0.113 0.000 0.749 640 L CB -1.697 40.319 42.059 -0.072 0.000 0.901 640 L HN 0.015 nan 8.230 nan 0.000 0.433 641 T N -0.257 114.241 114.554 -0.094 0.000 2.653 641 T HA -0.304 4.046 4.350 0.000 0.000 0.268 641 T C 2.115 176.729 174.700 -0.143 0.000 1.035 641 T CA 2.187 64.232 62.100 -0.091 0.000 1.154 641 T CB -0.349 68.511 68.868 -0.014 0.000 0.862 641 T HN 0.630 nan 8.240 nan 0.000 0.441 642 E N 0.890 121.047 120.200 -0.072 0.000 2.072 642 E HA 0.072 4.422 4.350 0.000 0.000 0.190 642 E C 2.100 178.653 176.600 -0.078 0.000 0.982 642 E CA 0.916 57.314 56.400 -0.002 0.000 0.803 642 E CB -0.978 28.725 29.700 0.005 0.000 0.755 642 E HN 0.592 nan 8.360 nan 0.000 0.453 643 L N 0.007 121.157 121.223 -0.121 0.000 2.456 643 L HA 0.002 4.342 4.340 0.000 0.000 0.224 643 L C 2.685 179.460 176.870 -0.158 0.000 1.148 643 L CA 0.377 55.151 54.840 -0.109 0.000 0.825 643 L CB -0.199 41.799 42.059 -0.101 0.000 0.937 643 L HN 0.302 nan 8.230 nan 0.000 0.450 644 L N -0.616 120.427 121.223 -0.302 0.000 2.191 644 L HA -0.208 4.132 4.340 0.000 0.000 0.212 644 L C 1.928 178.571 176.870 -0.377 0.000 1.103 644 L CA 0.882 55.490 54.840 -0.387 0.000 0.769 644 L CB -0.360 41.364 42.059 -0.558 0.000 0.908 644 L HN 0.465 nan 8.230 nan 0.000 0.438 645 H N -1.963 117.096 119.070 -0.018 0.000 2.517 645 H HA 0.173 4.729 4.556 0.000 0.000 0.282 645 H C 0.956 176.274 175.328 -0.016 0.000 1.023 645 H CA -0.102 55.937 56.048 -0.016 0.000 1.169 645 H CB 0.108 29.863 29.762 -0.013 0.000 1.454 645 H HN 0.092 nan 8.280 nan 0.000 0.556 646 S N 1.314 117.033 115.700 0.031 0.000 2.560 646 S HA 0.002 4.472 4.470 0.000 0.000 0.284 646 S C 1.488 176.098 174.600 0.017 0.000 1.327 646 S CA -0.567 57.644 58.200 0.020 0.000 1.055 646 S CB 0.825 64.020 63.200 -0.008 0.000 0.868 646 S HN 0.265 nan 8.310 nan 0.000 0.506 647 R N 2.466 122.975 120.500 0.016 0.000 2.280 647 R HA 0.065 4.405 4.340 0.000 0.000 0.207 647 R C 0.455 176.754 176.300 -0.002 0.000 1.043 647 R CA 0.161 56.266 56.100 0.009 0.000 1.006 647 R CB -1.069 29.236 30.300 0.009 0.000 0.885 647 R HN 0.587 nan 8.270 nan 0.000 0.467 648 N N 1.961 120.658 118.700 -0.005 0.000 2.415 648 N HA -0.013 4.727 4.740 0.000 0.000 0.250 648 N C 1.029 176.524 175.510 -0.026 0.000 1.127 648 N CA 0.655 53.698 53.050 -0.012 0.000 0.945 648 N CB 1.055 39.538 38.487 -0.007 0.000 1.196 648 N HN 0.272 nan 8.380 nan 0.000 0.499 649 E N 3.311 123.490 120.200 -0.034 0.000 2.114 649 E HA -0.203 4.147 4.350 0.000 0.000 0.199 649 E C 1.759 178.309 176.600 -0.082 0.000 1.008 649 E CA 1.849 58.216 56.400 -0.055 0.000 0.810 649 E CB -1.322 28.344 29.700 -0.057 0.000 0.739 649 E HN 0.758 nan 8.360 nan 0.000 0.456 650 G N 0.310 109.062 108.800 -0.079 0.000 2.480 650 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 650 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 650 G C 2.004 176.859 174.900 -0.075 0.000 1.200 650 G CA 2.125 47.158 45.100 -0.111 0.000 0.782 650 G HN 0.562 nan 8.290 nan 0.000 0.554 651 V N 1.814 121.716 119.914 -0.020 0.000 2.255 651 V HA -0.192 3.928 4.120 0.000 0.000 0.247 651 V C 3.365 179.450 176.094 -0.015 0.000 1.051 651 V CA 2.264 64.566 62.300 0.003 0.000 1.018 651 V CB -1.229 30.588 31.823 -0.009 0.000 0.641 651 V HN 0.512 nan 8.190 nan 0.000 0.445 652 A N -0.116 122.679 122.820 -0.043 0.000 1.883 652 A HA -0.262 4.058 4.320 0.000 0.000 0.217 652 A C 2.405 179.951 177.584 -0.063 0.000 1.186 652 A CA 2.736 54.738 52.037 -0.059 0.000 0.624 652 A CB -1.181 17.785 19.000 -0.056 0.000 0.822 652 A HN 0.523 nan 8.150 nan 0.000 0.444 653 T N -1.173 113.322 114.554 -0.099 0.000 2.635 653 T HA -0.188 4.162 4.350 0.000 0.000 0.267 653 T C 1.805 176.458 174.700 -0.079 0.000 1.040 653 T CA 1.960 63.974 62.100 -0.144 0.000 1.156 653 T CB -0.465 68.240 68.868 -0.272 0.000 0.863 653 T HN 0.500 nan 8.240 nan 0.000 0.430 654 Y N 1.317 121.584 120.300 -0.056 0.000 2.263 654 Y HA 0.170 4.720 4.550 0.000 0.000 0.292 654 Y C 2.662 178.523 175.900 -0.065 0.000 1.130 654 Y CA -0.139 57.922 58.100 -0.065 0.000 1.179 654 Y CB -1.200 37.200 38.460 -0.100 0.000 0.998 654 Y HN 0.200 nan 8.280 nan 0.000 0.532 655 A N 0.230 123.102 122.820 0.087 0.000 1.865 655 A HA -0.203 4.117 4.320 0.000 0.000 0.217 655 A C 2.551 180.141 177.584 0.010 0.000 1.191 655 A CA 2.343 54.385 52.037 0.008 0.000 0.623 655 A CB -1.356 17.616 19.000 -0.048 0.000 0.826 655 A HN 0.384 nan 8.150 nan 0.000 0.444 656 A N -0.211 122.608 122.820 -0.003 0.000 1.892 656 A HA 0.036 4.356 4.320 0.000 0.000 0.218 656 A C 2.553 180.175 177.584 0.065 0.000 1.188 656 A CA 2.732 54.770 52.037 0.000 0.000 0.631 656 A CB -1.241 17.736 19.000 -0.037 0.000 0.822 656 A HN 1.221 nan 8.150 nan 0.000 0.447 657 A N -0.535 122.341 122.820 0.092 0.000 1.859 657 A HA -0.087 4.233 4.320 0.000 0.000 0.217 657 A C 2.249 179.933 177.584 0.166 0.000 1.198 657 A CA 2.215 54.350 52.037 0.164 0.000 0.629 657 A CB -1.304 17.822 19.000 0.210 0.000 0.830 657 A HN 0.559 nan 8.150 nan 0.000 0.446 658 V N 0.292 120.260 119.914 0.089 0.000 2.250 658 V HA -0.342 3.779 4.120 0.000 0.000 0.250 658 V C 2.604 178.726 176.094 0.048 0.000 1.060 658 V CA 2.255 64.576 62.300 0.035 0.000 1.030 658 V CB -1.004 30.812 31.823 -0.012 0.000 0.643 658 V HN 0.578 nan 8.190 nan 0.000 0.445 659 L N -1.395 119.863 121.223 0.058 0.000 2.043 659 L HA -0.226 4.114 4.340 0.000 0.000 0.212 659 L C 2.379 179.311 176.870 0.104 0.000 1.075 659 L CA 2.006 56.881 54.840 0.058 0.000 0.752 659 L CB -0.674 41.414 42.059 0.049 0.000 0.891 659 L HN 0.383 nan 8.230 nan 0.000 0.432 660 F N 1.358 121.301 119.950 -0.011 0.000 1.997 660 F HA -0.202 4.325 4.527 0.000 0.000 0.296 660 F C 2.581 178.377 175.800 -0.006 0.000 1.160 660 F CA 1.518 59.514 58.000 -0.006 0.000 1.176 660 F CB -0.479 38.520 39.000 -0.002 0.000 0.964 660 F HN -0.115 nan 8.300 nan 0.000 0.484 661 R N 0.308 120.716 120.500 -0.154 0.000 2.421 661 R HA -0.099 4.241 4.340 0.000 0.000 0.208 661 R C 0.754 176.951 176.300 -0.172 0.000 1.103 661 R CA 0.352 56.296 56.100 -0.261 0.000 1.065 661 R CB -0.902 29.356 30.300 -0.071 0.000 0.839 661 R HN 0.409 nan 8.270 nan 0.000 0.480 662 M N 0.000 119.526 119.600 -0.123 0.000 2.572 662 M HA 0.000 4.480 4.480 0.000 0.000 0.227 662 M CA 0.000 55.254 55.300 -0.076 0.000 0.988 662 M CB 0.000 32.582 32.600 -0.031 0.000 1.302 662 M HN 0.000 nan 8.290 nan 0.000 0.411