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 2gl7_1_A DATA FIRST_RESID 142 DATA SEQUENCE EQDDAELATR AIPELTKLLN DEDQVVVNKA AVMVHQLSKK EASRHAIMRS DATA SEQUENCE PQMVSAIVRT MQNTNDVETA RCTAGTLHNL SHHREGLLAI FKSGGIPALV DATA SEQUENCE KMLGSPVDSV LFYAITTLHN LLLHQEGAKM AVRLAGGLQK MVALLNKTNV DATA SEQUENCE KFLAITTDCL QILAYGNQES KLIILASGGP QALVNIMRTY TYEKLLWTTS DATA SEQUENCE RVLKVLSVCS SNKPAIVEAG GMQALGLHLT DPSQRLVQNC LWTLRNLSDA DATA SEQUENCE ATKQEGMEGL LGTLVQLLGS DDINVVTCAA GILSNLTCNN YKNKMMVCQV DATA SEQUENCE GGIEALVRTV LRAGDREDIT EPAICALRHL TSRHQEAEMA QNAVRLHYGL DATA SEQUENCE PVVVKLLHPP SHWPLIKATV GLIRNLALCP ANHAPLREQG AIPRLVQLLV DATA SEQUENCE RAHQDTQRXX XXXXXXXXFV EGVRMEEIVE GCTGALHILA RDVHNRIVIR DATA SEQUENCE GLNTIPLFVQ LLYSPIENIQ RVAAGVLCEL AQDKEAAEAI EAEGATAPLT DATA SEQUENCE ELLHSRNEGV ATYAAAVLFR MS 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 142 E HA 0.000 nan 4.350 nan 0.000 0.291 142 E C 0.000 176.609 176.600 0.016 0.000 1.382 142 E CA 0.000 56.410 56.400 0.017 0.000 0.976 142 E CB 0.000 29.709 29.700 0.016 0.000 0.812 143 Q N 0.111 119.915 119.800 0.008 0.000 2.137 143 Q HA 0.115 4.460 4.340 0.008 0.000 0.198 143 Q C 2.197 178.202 176.000 0.007 0.000 0.960 143 Q CA 2.880 58.686 55.803 0.004 0.000 0.847 143 Q CB -1.409 27.329 28.738 -0.001 0.000 0.915 143 Q HN 1.134 nan 8.270 nan 0.000 0.448 144 D N 0.925 121.330 120.400 0.008 0.000 2.219 144 D HA -0.181 4.464 4.640 0.008 0.000 0.205 144 D C 1.757 178.064 176.300 0.013 0.000 0.970 144 D CA 1.001 55.006 54.000 0.009 0.000 0.851 144 D CB -0.476 40.328 40.800 0.008 0.000 0.943 144 D HN 0.654 nan 8.370 nan 0.000 0.488 145 D N -0.149 120.261 120.400 0.017 0.000 2.117 145 D HA -0.058 4.587 4.640 0.008 0.000 0.197 145 D C 2.634 178.950 176.300 0.026 0.000 0.987 145 D CA 1.434 55.447 54.000 0.021 0.000 0.829 145 D CB -0.118 40.698 40.800 0.026 0.000 0.961 145 D HN 0.437 nan 8.370 nan 0.000 0.460 146 A N 1.140 123.977 122.820 0.028 0.000 1.933 146 A HA -0.188 4.137 4.320 0.008 0.000 0.218 146 A C 2.050 179.648 177.584 0.023 0.000 1.175 146 A CA 1.271 53.327 52.037 0.032 0.000 0.628 146 A CB -0.395 18.620 19.000 0.026 0.000 0.814 146 A HN 0.187 nan 8.150 nan 0.000 0.444 147 E N -0.439 119.771 120.200 0.016 0.000 2.072 147 E HA -0.120 4.234 4.350 0.008 0.000 0.191 147 E C 1.915 178.523 176.600 0.014 0.000 0.985 147 E CA 0.774 57.182 56.400 0.012 0.000 0.801 147 E CB -0.166 29.539 29.700 0.008 0.000 0.750 147 E HN 0.409 nan 8.360 nan 0.000 0.452 148 L N 0.575 121.807 121.223 0.014 0.000 2.017 148 L HA -0.177 4.168 4.340 0.008 0.000 0.208 148 L C 2.466 179.346 176.870 0.016 0.000 1.073 148 L CA 1.697 56.545 54.840 0.014 0.000 0.745 148 L CB -1.269 40.798 42.059 0.013 0.000 0.894 148 L HN 0.120 nan 8.230 nan 0.000 0.432 149 A N -0.785 122.047 122.820 0.021 0.000 1.877 149 A HA -0.199 4.125 4.320 0.008 0.000 0.216 149 A C 2.309 179.908 177.584 0.024 0.000 1.186 149 A CA 2.244 54.296 52.037 0.024 0.000 0.620 149 A CB -0.923 18.096 19.000 0.032 0.000 0.822 149 A HN 0.414 nan 8.150 nan 0.000 0.443 150 T N -0.161 114.408 114.554 0.024 0.000 2.699 150 T HA -0.192 4.163 4.350 0.008 0.000 0.268 150 T C 2.013 176.724 174.700 0.017 0.000 1.036 150 T CA 1.833 63.946 62.100 0.021 0.000 1.147 150 T CB -0.265 68.614 68.868 0.019 0.000 0.862 150 T HN 0.525 nan 8.240 nan 0.000 0.446 151 R N 0.592 121.100 120.500 0.014 0.000 2.119 151 R HA 0.189 4.533 4.340 0.008 0.000 0.222 151 R C 2.760 179.067 176.300 0.012 0.000 1.088 151 R CA 0.974 57.081 56.100 0.012 0.000 0.984 151 R CB -0.273 30.033 30.300 0.010 0.000 0.884 151 R HN 0.343 nan 8.270 nan 0.000 0.447 152 A N 1.018 123.846 122.820 0.013 0.000 1.968 152 A HA -0.062 4.263 4.320 0.008 0.000 0.217 152 A C 2.050 179.643 177.584 0.014 0.000 1.169 152 A CA 0.844 52.889 52.037 0.013 0.000 0.638 152 A CB -0.292 18.716 19.000 0.014 0.000 0.812 152 A HN 0.146 nan 8.150 nan 0.000 0.446 153 I N 0.072 120.652 120.570 0.016 0.000 2.179 153 I HA -0.161 4.013 4.170 0.008 0.000 0.242 153 I C -0.598 175.528 176.117 0.014 0.000 1.088 153 I CA 1.291 62.601 61.300 0.017 0.000 1.357 153 I CB -0.859 37.153 38.000 0.021 0.000 1.051 153 I HN 0.211 nan 8.210 nan 0.000 0.409 154 P HA -0.215 nan 4.420 nan 0.000 0.215 154 P C 1.435 178.740 177.300 0.009 0.000 1.157 154 P CA 1.487 64.593 63.100 0.010 0.000 0.868 154 P CB 0.048 31.753 31.700 0.009 0.000 0.788 155 E N -0.656 119.549 120.200 0.009 0.000 2.150 155 E HA -0.098 4.257 4.350 0.008 0.000 0.193 155 E C 1.910 178.516 176.600 0.009 0.000 0.985 155 E CA 0.643 57.048 56.400 0.008 0.000 0.814 155 E CB -0.745 28.960 29.700 0.008 0.000 0.752 155 E HN 0.097 nan 8.360 nan 0.000 0.466 156 L N -0.014 121.215 121.223 0.010 0.000 2.201 156 L HA -0.129 4.216 4.340 0.008 0.000 0.212 156 L C 2.218 179.094 176.870 0.010 0.000 1.105 156 L CA 1.139 55.985 54.840 0.011 0.000 0.775 156 L CB -0.165 41.903 42.059 0.014 0.000 0.913 156 L HN 0.227 nan 8.230 nan 0.000 0.440 157 T N -0.637 113.923 114.554 0.010 0.000 2.851 157 T HA -0.133 4.222 4.350 0.008 0.000 0.262 157 T C 2.334 177.038 174.700 0.006 0.000 1.043 157 T CA 1.628 63.733 62.100 0.008 0.000 1.140 157 T CB -0.076 68.797 68.868 0.008 0.000 0.872 157 T HN 0.406 nan 8.240 nan 0.000 0.446 158 K N 1.283 121.687 120.400 0.006 0.000 2.057 158 K HA 0.065 4.389 4.320 0.008 0.000 0.207 158 K C 2.197 178.799 176.600 0.004 0.000 1.049 158 K CA 1.314 57.603 56.287 0.004 0.000 0.931 158 K CB -1.313 31.189 32.500 0.004 0.000 0.714 158 K HN 0.416 nan 8.250 nan 0.000 0.440 159 L N -0.535 120.691 121.223 0.005 0.000 2.093 159 L HA -0.021 4.324 4.340 0.008 0.000 0.208 159 L C 2.631 179.504 176.870 0.005 0.000 1.085 159 L CA 0.637 55.480 54.840 0.005 0.000 0.755 159 L CB -0.179 41.884 42.059 0.007 0.000 0.904 159 L HN 0.336 nan 8.230 nan 0.000 0.435 160 L N 0.491 121.717 121.223 0.005 0.000 2.217 160 L HA -0.118 4.227 4.340 0.008 0.000 0.211 160 L C 1.463 178.333 176.870 0.001 0.000 1.107 160 L CA 1.429 56.272 54.840 0.004 0.000 0.783 160 L CB -0.502 41.559 42.059 0.005 0.000 0.919 160 L HN 0.450 nan 8.230 nan 0.000 0.442 161 N N -1.090 117.610 118.700 0.001 0.000 2.761 161 N HA 0.080 4.824 4.740 0.008 0.000 0.317 161 N C -0.744 174.765 175.510 -0.000 0.000 1.546 161 N CA -0.329 52.720 53.050 -0.001 0.000 1.015 161 N CB 0.242 38.728 38.487 -0.001 0.000 1.343 161 N HN 0.173 nan 8.380 nan 0.000 0.504 162 D N 0.385 120.785 120.400 0.000 0.000 2.272 162 D HA 0.152 4.797 4.640 0.008 0.000 0.247 162 D C 0.921 177.221 176.300 -0.001 0.000 0.990 162 D CA -0.456 53.544 54.000 0.000 0.000 0.931 162 D CB 2.021 42.822 40.800 0.001 0.000 1.195 162 D HN -0.059 nan 8.370 nan 0.000 0.477 163 E N 0.140 120.339 120.200 -0.001 0.000 2.077 163 E HA -0.090 4.265 4.350 0.008 0.000 0.193 163 E C -0.072 176.528 176.600 -0.001 0.000 0.989 163 E CA 0.861 57.260 56.400 -0.001 0.000 0.800 163 E CB 0.014 29.713 29.700 -0.001 0.000 0.746 163 E HN 0.416 nan 8.360 nan 0.000 0.452 164 D N 0.301 120.700 120.400 -0.000 0.000 2.339 164 D HA -0.044 4.600 4.640 0.008 0.000 0.256 164 D C 0.385 176.685 176.300 -0.000 0.000 1.214 164 D CA -0.069 53.931 54.000 -0.000 0.000 0.877 164 D CB 0.750 41.550 40.800 0.001 0.000 1.111 164 D HN 0.047 nan 8.370 nan 0.000 0.478 165 Q N 2.649 122.448 119.800 -0.001 0.000 2.369 165 Q HA -0.050 4.295 4.340 0.008 0.000 0.206 165 Q C 1.988 177.988 176.000 0.000 0.000 0.963 165 Q CA 0.484 56.286 55.803 -0.001 0.000 0.894 165 Q CB 0.079 28.815 28.738 -0.002 0.000 0.965 165 Q HN 0.459 nan 8.270 nan 0.000 0.475 166 V N 0.010 119.925 119.914 0.001 0.000 2.453 166 V HA -0.162 3.962 4.120 0.008 0.000 0.247 166 V C 2.365 178.462 176.094 0.004 0.000 1.048 166 V CA 1.044 63.345 62.300 0.002 0.000 1.049 166 V CB -0.501 31.324 31.823 0.002 0.000 0.672 166 V HN 0.083 nan 8.190 nan 0.000 0.457 167 V N -0.100 119.816 119.914 0.003 0.000 2.295 167 V HA -0.208 3.917 4.120 0.008 0.000 0.246 167 V C 2.432 178.529 176.094 0.005 0.000 1.049 167 V CA 1.910 64.212 62.300 0.004 0.000 1.024 167 V CB -0.436 31.389 31.823 0.003 0.000 0.648 167 V HN 0.415 nan 8.190 nan 0.000 0.447 168 V N 0.838 120.753 119.914 0.003 0.000 2.427 168 V HA -0.260 3.865 4.120 0.008 0.000 0.248 168 V C 2.301 178.398 176.094 0.004 0.000 1.051 168 V CA 2.372 64.674 62.300 0.003 0.000 1.048 168 V CB -1.078 30.745 31.823 -0.000 0.000 0.666 168 V HN 0.722 nan 8.190 nan 0.000 0.456 169 N N 1.137 119.839 118.700 0.004 0.000 2.084 169 N HA -0.200 4.544 4.740 0.008 0.000 0.190 169 N C 1.833 177.350 175.510 0.012 0.000 1.030 169 N CA 2.334 55.387 53.050 0.006 0.000 0.849 169 N CB -0.337 38.153 38.487 0.005 0.000 1.012 169 N HN 0.404 nan 8.380 nan 0.000 0.423 170 K N 0.244 120.651 120.400 0.012 0.000 2.057 170 K HA 0.168 4.493 4.320 0.008 0.000 0.207 170 K C 2.276 178.887 176.600 0.019 0.000 1.049 170 K CA 1.500 57.796 56.287 0.016 0.000 0.931 170 K CB -1.502 31.005 32.500 0.012 0.000 0.714 170 K HN 0.478 nan 8.250 nan 0.000 0.440 171 A N 0.836 123.665 122.820 0.015 0.000 1.972 171 A HA 0.284 4.608 4.320 0.008 0.000 0.219 171 A C 2.713 180.310 177.584 0.022 0.000 1.169 171 A CA 1.977 54.024 52.037 0.016 0.000 0.635 171 A CB -0.604 18.403 19.000 0.012 0.000 0.810 171 A HN 0.870 nan 8.150 nan 0.000 0.446 172 A N -0.816 122.016 122.820 0.020 0.000 1.975 172 A HA 0.179 4.503 4.320 0.008 0.000 0.215 172 A C 2.119 179.732 177.584 0.049 0.000 1.170 172 A CA 1.264 53.314 52.037 0.022 0.000 0.656 172 A CB -0.572 18.430 19.000 0.004 0.000 0.821 172 A HN 0.310 nan 8.150 nan 0.000 0.449 173 V N -0.260 119.685 119.914 0.051 0.000 2.358 173 V HA -0.280 3.844 4.120 0.008 0.000 0.246 173 V C 2.541 178.685 176.094 0.084 0.000 1.047 173 V CA 2.244 64.593 62.300 0.081 0.000 1.035 173 V CB -0.606 31.252 31.823 0.058 0.000 0.658 173 V HN 0.684 nan 8.190 nan 0.000 0.452 174 M N -0.516 119.115 119.600 0.052 0.000 2.200 174 M HA -0.106 4.379 4.480 0.008 0.000 0.265 174 M C 2.072 178.397 176.300 0.043 0.000 1.066 174 M CA 1.525 56.847 55.300 0.037 0.000 1.127 174 M CB -0.017 32.598 32.600 0.025 0.000 1.379 174 M HN 0.215 nan 8.290 nan 0.000 0.420 175 V N -0.433 119.513 119.914 0.053 0.000 2.490 175 V HA -0.314 3.811 4.120 0.008 0.000 0.250 175 V C 2.327 178.476 176.094 0.092 0.000 1.061 175 V CA 2.086 64.419 62.300 0.055 0.000 1.064 175 V CB -1.191 30.657 31.823 0.041 0.000 0.670 175 V HN 0.612 nan 8.190 nan 0.000 0.461 176 H N -0.687 118.377 119.070 -0.009 0.000 2.363 176 H HA -0.172 4.390 4.556 0.010 0.000 0.301 176 H C 2.464 177.792 175.328 0.001 0.000 1.074 176 H CA 1.562 57.601 56.048 -0.015 0.000 1.354 176 H CB 0.408 30.159 29.762 -0.019 0.000 1.397 176 H HN 0.332 nan 8.280 nan 0.000 0.516 177 Q N 0.897 120.644 119.800 -0.088 0.000 2.084 177 Q HA -0.095 4.249 4.340 0.008 0.000 0.202 177 Q C 2.632 178.587 176.000 -0.074 0.000 0.978 177 Q CA 1.148 56.870 55.803 -0.135 0.000 0.844 177 Q CB -0.240 28.463 28.738 -0.058 0.000 0.898 177 Q HN 0.494 nan 8.270 nan 0.000 0.426 178 L N -0.126 121.083 121.223 -0.022 0.000 2.042 178 L HA -0.216 4.129 4.340 0.008 0.000 0.210 178 L C 2.254 179.122 176.870 -0.002 0.000 1.076 178 L CA 1.581 56.419 54.840 -0.003 0.000 0.749 178 L CB -0.621 41.447 42.059 0.015 0.000 0.893 178 L HN 0.307 nan 8.230 nan 0.000 0.432 179 S N -0.966 114.737 115.700 0.005 0.000 2.507 179 S HA -0.129 4.346 4.470 0.008 0.000 0.235 179 S C 1.774 176.380 174.600 0.010 0.000 0.988 179 S CA 0.597 58.810 58.200 0.022 0.000 0.944 179 S CB -0.186 63.053 63.200 0.065 0.000 0.762 179 S HN 0.385 nan 8.310 nan 0.000 0.526 180 K N 0.698 121.079 120.400 -0.032 0.000 2.116 180 K HA 0.127 4.452 4.320 0.008 0.000 0.203 180 K C 0.258 176.859 176.600 0.002 0.000 1.052 180 K CA 0.672 56.946 56.287 -0.022 0.000 0.952 180 K CB 0.015 32.472 32.500 -0.072 0.000 0.729 180 K HN 0.261 nan 8.250 nan 0.000 0.446 181 K N 1.303 121.702 120.400 -0.001 0.000 2.249 181 K HA 0.034 4.359 4.320 0.008 0.000 0.280 181 K C 0.768 177.379 176.600 0.018 0.000 1.033 181 K CA -0.117 56.177 56.287 0.012 0.000 0.946 181 K CB 1.143 33.650 32.500 0.011 0.000 1.005 181 K HN -0.080 nan 8.250 nan 0.000 0.469 182 E N 2.022 122.239 120.200 0.030 0.000 2.077 182 E HA -0.210 4.145 4.350 0.008 0.000 0.193 182 E C 1.595 178.227 176.600 0.054 0.000 0.989 182 E CA 1.593 58.008 56.400 0.025 0.000 0.800 182 E CB 0.070 29.810 29.700 0.066 0.000 0.746 182 E HN 0.722 nan 8.360 nan 0.000 0.452 183 A N 0.856 123.730 122.820 0.090 0.000 1.898 183 A HA -0.137 4.187 4.320 0.008 0.000 0.216 183 A C 2.333 179.980 177.584 0.105 0.000 1.181 183 A CA 2.039 54.151 52.037 0.125 0.000 0.620 183 A CB -0.460 18.586 19.000 0.076 0.000 0.819 183 A HN 0.341 nan 8.150 nan 0.000 0.442 184 S N 0.137 115.873 115.700 0.059 0.000 2.489 184 S HA -0.104 4.371 4.470 0.008 0.000 0.228 184 S C 1.815 176.440 174.600 0.042 0.000 0.995 184 S CA 0.845 59.074 58.200 0.048 0.000 0.934 184 S CB -0.299 62.919 63.200 0.030 0.000 0.771 184 S HN 0.764 nan 8.310 nan 0.000 0.522 185 R N 0.558 121.068 120.500 0.017 0.000 2.161 185 R HA 0.121 4.465 4.340 0.008 0.000 0.213 185 R C 2.003 178.300 176.300 -0.004 0.000 1.055 185 R CA 0.946 57.044 56.100 -0.004 0.000 0.996 185 R CB -0.704 29.581 30.300 -0.025 0.000 0.901 185 R HN 0.340 nan 8.270 nan 0.000 0.456 186 H N 0.690 119.793 119.070 0.055 0.000 2.389 186 H HA 0.095 4.653 4.556 0.003 0.000 0.299 186 H C 2.012 177.355 175.328 0.025 0.000 1.081 186 H CA 1.664 57.731 56.048 0.031 0.000 1.345 186 H CB -0.028 29.733 29.762 -0.001 0.000 1.393 186 H HN 0.459 nan 8.280 nan 0.000 0.520 187 A N 0.724 123.630 122.820 0.144 0.000 1.930 187 A HA -0.079 4.246 4.320 0.008 0.000 0.217 187 A C 2.637 180.260 177.584 0.065 0.000 1.175 187 A CA 0.942 53.030 52.037 0.085 0.000 0.627 187 A CB -0.617 18.421 19.000 0.062 0.000 0.815 187 A HN 0.280 nan 8.150 nan 0.000 0.443 188 I N 0.231 120.837 120.570 0.060 0.000 2.252 188 I HA -0.265 3.909 4.170 0.008 0.000 0.245 188 I C 2.707 178.853 176.117 0.049 0.000 1.102 188 I CA 1.732 63.059 61.300 0.045 0.000 1.385 188 I CB -0.246 37.776 38.000 0.036 0.000 1.064 188 I HN 0.532 nan 8.210 nan 0.000 0.414 189 M N -0.642 118.997 119.600 0.065 0.000 2.562 189 M HA -0.007 4.477 4.480 0.008 0.000 0.257 189 M C 1.713 178.055 176.300 0.070 0.000 1.099 189 M CA 1.402 56.744 55.300 0.070 0.000 1.099 189 M CB -0.390 32.264 32.600 0.090 0.000 1.427 189 M HN 0.032 nan 8.290 nan 0.000 0.489 190 R N 0.745 121.286 120.500 0.069 0.000 2.317 190 R HA 0.196 4.541 4.340 0.008 0.000 0.208 190 R C 0.363 176.686 176.300 0.039 0.000 0.914 190 R CA 0.013 56.146 56.100 0.054 0.000 1.060 190 R CB 0.445 30.776 30.300 0.053 0.000 1.015 190 R HN 0.306 nan 8.270 nan 0.000 0.498 191 S N 1.291 117.013 115.700 0.038 0.000 2.474 191 S HA 0.264 4.739 4.470 0.008 0.000 0.320 191 S C -1.976 172.639 174.600 0.025 0.000 1.067 191 S CA -1.981 56.236 58.200 0.028 0.000 1.127 191 S CB 1.102 64.317 63.200 0.026 0.000 0.971 191 S HN -0.099 nan 8.310 nan 0.000 0.472 192 P HA -0.091 nan 4.420 nan 0.000 0.218 192 P C 1.008 178.315 177.300 0.012 0.000 1.148 192 P CA 1.074 64.185 63.100 0.019 0.000 0.822 192 P CB 0.168 31.878 31.700 0.017 0.000 0.784 193 Q N -1.721 118.085 119.800 0.011 0.000 2.123 193 Q HA -0.081 4.264 4.340 0.008 0.000 0.199 193 Q C 2.144 178.149 176.000 0.007 0.000 0.966 193 Q CA 1.180 56.987 55.803 0.007 0.000 0.845 193 Q CB -0.697 28.045 28.738 0.007 0.000 0.907 193 Q HN 0.133 nan 8.270 nan 0.000 0.439 194 M N 0.016 119.623 119.600 0.011 0.000 2.099 194 M HA -0.095 4.390 4.480 0.008 0.000 0.262 194 M C 1.745 178.051 176.300 0.010 0.000 1.067 194 M CA 1.463 56.770 55.300 0.012 0.000 1.124 194 M CB -0.344 32.266 32.600 0.017 0.000 1.353 194 M HN 0.045 nan 8.290 nan 0.000 0.410 195 V N -0.485 119.437 119.914 0.013 0.000 2.407 195 V HA -0.217 3.908 4.120 0.008 0.000 0.248 195 V C 2.404 178.499 176.094 0.003 0.000 1.055 195 V CA 1.924 64.230 62.300 0.011 0.000 1.049 195 V CB -1.075 30.759 31.823 0.018 0.000 0.662 195 V HN 0.528 nan 8.190 nan 0.000 0.455 196 S N 0.008 115.709 115.700 0.001 0.000 2.368 196 S HA -0.137 4.338 4.470 0.008 0.000 0.224 196 S C 2.233 176.830 174.600 -0.006 0.000 1.029 196 S CA 1.371 59.568 58.200 -0.006 0.000 0.988 196 S CB -0.401 62.795 63.200 -0.007 0.000 0.838 196 S HN 0.650 nan 8.310 nan 0.000 0.462 197 A N 1.225 124.043 122.820 -0.003 0.000 1.933 197 A HA -0.053 4.272 4.320 0.008 0.000 0.218 197 A C 2.028 179.609 177.584 -0.006 0.000 1.175 197 A CA 1.195 53.230 52.037 -0.003 0.000 0.628 197 A CB -0.664 18.336 19.000 0.000 0.000 0.814 197 A HN 0.500 nan 8.150 nan 0.000 0.444 198 I N -0.710 119.857 120.570 -0.005 0.000 2.226 198 I HA -0.203 3.971 4.170 0.008 0.000 0.245 198 I C 2.343 178.451 176.117 -0.015 0.000 1.100 198 I CA 1.022 62.315 61.300 -0.011 0.000 1.374 198 I CB -0.230 37.763 38.000 -0.011 0.000 1.057 198 I HN 0.159 nan 8.210 nan 0.000 0.413 199 V N 0.468 120.374 119.914 -0.012 0.000 2.270 199 V HA -0.262 3.863 4.120 0.008 0.000 0.245 199 V C 2.603 178.689 176.094 -0.013 0.000 1.043 199 V CA 1.781 64.073 62.300 -0.013 0.000 1.014 199 V CB -0.682 31.133 31.823 -0.013 0.000 0.645 199 V HN 0.352 nan 8.190 nan 0.000 0.447 200 R N -0.336 120.157 120.500 -0.013 0.000 2.103 200 R HA -0.195 4.150 4.340 0.008 0.000 0.242 200 R C 2.373 178.666 176.300 -0.011 0.000 1.142 200 R CA 2.205 58.298 56.100 -0.012 0.000 0.960 200 R CB -0.473 29.821 30.300 -0.011 0.000 0.858 200 R HN 0.517 nan 8.270 nan 0.000 0.439 201 T N 0.665 115.212 114.554 -0.011 0.000 2.821 201 T HA -0.139 4.216 4.350 0.008 0.000 0.267 201 T C 1.616 176.307 174.700 -0.014 0.000 1.046 201 T CA 1.347 63.440 62.100 -0.012 0.000 1.139 201 T CB -0.063 68.798 68.868 -0.012 0.000 0.871 201 T HN 0.279 nan 8.240 nan 0.000 0.454 202 M N 0.676 120.266 119.600 -0.017 0.000 2.132 202 M HA -0.113 4.372 4.480 0.008 0.000 0.263 202 M C 2.426 178.719 176.300 -0.011 0.000 1.065 202 M CA 1.526 56.816 55.300 -0.017 0.000 1.122 202 M CB -0.157 32.432 32.600 -0.019 0.000 1.365 202 M HN 0.176 nan 8.290 nan 0.000 0.411 203 Q N -0.030 119.764 119.800 -0.009 0.000 2.084 203 Q HA -0.171 4.174 4.340 0.008 0.000 0.202 203 Q C 1.260 177.255 176.000 -0.008 0.000 0.978 203 Q CA 1.430 57.229 55.803 -0.007 0.000 0.844 203 Q CB -0.101 28.632 28.738 -0.008 0.000 0.898 203 Q HN 0.587 nan 8.270 nan 0.000 0.426 204 N N -0.557 118.138 118.700 -0.009 0.000 2.356 204 N HA -0.011 4.733 4.740 0.008 0.000 0.178 204 N C 0.230 175.735 175.510 -0.009 0.000 1.075 204 N CA 0.263 53.308 53.050 -0.009 0.000 0.889 204 N CB 0.405 38.887 38.487 -0.008 0.000 0.999 204 N HN 0.010 nan 8.380 nan 0.000 0.464 205 T N 0.494 115.042 114.554 -0.010 0.000 2.907 205 T HA 0.151 4.505 4.350 0.008 0.000 0.298 205 T C 0.897 175.590 174.700 -0.012 0.000 1.017 205 T CA -0.141 61.953 62.100 -0.011 0.000 1.118 205 T CB 0.425 69.285 68.868 -0.012 0.000 0.948 205 T HN 0.064 nan 8.240 nan 0.000 0.531 206 N N 2.757 121.450 118.700 -0.011 0.000 2.236 206 N HA 0.074 4.819 4.740 0.008 0.000 0.196 206 N C -0.314 175.188 175.510 -0.013 0.000 1.114 206 N CA 0.010 53.052 53.050 -0.012 0.000 0.859 206 N CB 0.359 38.840 38.487 -0.010 0.000 0.982 206 N HN 0.676 nan 8.380 nan 0.000 0.493 207 D N -0.231 120.162 120.400 -0.012 0.000 2.256 207 D HA 0.137 4.782 4.640 0.008 0.000 0.250 207 D C 1.277 177.568 176.300 -0.015 0.000 1.093 207 D CA -0.264 53.729 54.000 -0.012 0.000 0.882 207 D CB 1.864 42.658 40.800 -0.009 0.000 1.185 207 D HN -0.314 nan 8.370 nan 0.000 0.437 208 V N 3.335 123.240 119.914 -0.017 0.000 2.407 208 V HA -0.114 4.011 4.120 0.008 0.000 0.245 208 V C 2.122 178.206 176.094 -0.017 0.000 1.041 208 V CA 1.530 63.817 62.300 -0.021 0.000 1.040 208 V CB -0.557 31.250 31.823 -0.026 0.000 0.671 208 V HN 0.747 nan 8.190 nan 0.000 0.455 209 E N -0.120 120.075 120.200 -0.010 0.000 2.153 209 E HA -0.223 4.132 4.350 0.008 0.000 0.194 209 E C 2.070 178.664 176.600 -0.010 0.000 0.988 209 E CA 1.794 58.192 56.400 -0.002 0.000 0.811 209 E CB -0.015 29.689 29.700 0.007 0.000 0.746 209 E HN 0.588 nan 8.360 nan 0.000 0.466 210 T N 0.089 114.635 114.554 -0.013 0.000 2.942 210 T HA 0.044 4.398 4.350 0.008 0.000 0.265 210 T C 1.727 176.407 174.700 -0.033 0.000 1.062 210 T CA 0.802 62.890 62.100 -0.020 0.000 1.139 210 T CB -0.027 68.833 68.868 -0.013 0.000 0.883 210 T HN 0.301 nan 8.240 nan 0.000 0.468 211 A N 1.856 124.660 122.820 -0.027 0.000 1.898 211 A HA -0.047 4.277 4.320 0.008 0.000 0.216 211 A C 2.299 179.865 177.584 -0.031 0.000 1.181 211 A CA 1.350 53.371 52.037 -0.027 0.000 0.620 211 A CB -0.496 18.492 19.000 -0.020 0.000 0.819 211 A HN 0.352 nan 8.150 nan 0.000 0.442 212 R N -0.650 119.837 120.500 -0.022 0.000 2.075 212 R HA -0.140 4.205 4.340 0.008 0.000 0.232 212 R C 2.130 178.347 176.300 -0.138 0.000 1.126 212 R CA 1.911 58.018 56.100 0.010 0.000 0.963 212 R CB -0.571 29.748 30.300 0.031 0.000 0.858 212 R HN 0.575 nan 8.270 nan 0.000 0.435 213 C N -0.077 119.109 119.300 -0.191 0.000 2.476 213 C HA -0.043 4.422 4.460 0.008 0.000 0.278 213 C C 2.881 177.648 174.990 -0.372 0.000 1.274 213 C CA 1.357 60.148 59.018 -0.380 0.000 1.713 213 C CB -0.837 26.832 27.740 -0.118 0.000 2.039 213 C HN 0.700 nan 8.230 nan 0.000 0.484 214 T N 0.375 114.814 114.554 -0.192 0.000 2.821 214 T HA -0.070 4.285 4.350 0.008 0.000 0.267 214 T C 1.916 176.503 174.700 -0.188 0.000 1.046 214 T CA 1.568 63.583 62.100 -0.142 0.000 1.139 214 T CB -0.473 68.351 68.868 -0.074 0.000 0.871 214 T HN 0.495 nan 8.240 nan 0.000 0.454 215 A N 1.652 124.346 122.820 -0.211 0.000 1.969 215 A HA 0.330 4.655 4.320 0.008 0.000 0.218 215 A C 2.659 179.896 177.584 -0.579 0.000 1.169 215 A CA 1.397 53.306 52.037 -0.214 0.000 0.635 215 A CB -1.413 17.570 19.000 -0.028 0.000 0.810 215 A HN 0.599 nan 8.150 nan 0.000 0.445 216 G N -1.178 107.032 108.800 -0.984 0.000 2.403 216 G HA2 -0.062 3.903 3.960 0.008 0.000 0.216 216 G HA3 -0.062 3.903 3.960 0.008 0.000 0.216 216 G C 1.536 176.158 174.900 -0.462 0.000 1.154 216 G CA 1.508 45.784 45.100 -1.373 0.000 0.784 216 G HN 0.407 nan 8.290 nan 0.000 0.538 217 T N 1.730 116.109 114.554 -0.292 0.000 2.622 217 T HA -0.087 4.268 4.350 0.008 0.000 0.266 217 T C 2.419 177.080 174.700 -0.066 0.000 1.047 217 T CA 1.074 63.147 62.100 -0.046 0.000 1.159 217 T CB -0.314 68.536 68.868 -0.032 0.000 0.863 217 T HN 0.144 nan 8.240 nan 0.000 0.422 218 L N 0.174 121.339 121.223 -0.097 0.000 2.079 218 L HA -0.163 4.181 4.340 0.008 0.000 0.210 218 L C 2.548 179.373 176.870 -0.076 0.000 1.081 218 L CA 1.757 56.559 54.840 -0.064 0.000 0.752 218 L CB -0.646 41.388 42.059 -0.043 0.000 0.896 218 L HN 0.431 nan 8.230 nan 0.000 0.433 219 H N 0.299 119.248 119.070 -0.202 0.000 2.357 219 H HA -0.117 4.443 4.556 0.006 0.000 0.301 219 H C 2.148 177.298 175.328 -0.297 0.000 1.082 219 H CA 1.758 57.688 56.048 -0.197 0.000 1.342 219 H CB 0.177 29.862 29.762 -0.128 0.000 1.389 219 H HN 0.225 nan 8.280 nan 0.000 0.511 220 N N 0.548 119.185 118.700 -0.105 0.000 2.120 220 N HA -0.123 4.621 4.740 0.008 0.000 0.188 220 N C 1.979 177.369 175.510 -0.199 0.000 1.024 220 N CA 1.298 54.295 53.050 -0.088 0.000 0.852 220 N CB -0.296 38.236 38.487 0.075 0.000 1.003 220 N HN 0.420 nan 8.380 nan 0.000 0.424 221 L N 0.796 121.931 121.223 -0.147 0.000 2.191 221 L HA -0.063 4.282 4.340 0.008 0.000 0.212 221 L C 1.965 178.735 176.870 -0.167 0.000 1.103 221 L CA 1.004 55.782 54.840 -0.102 0.000 0.769 221 L CB -0.585 41.453 42.059 -0.036 0.000 0.908 221 L HN 0.210 nan 8.230 nan 0.000 0.438 222 S N -2.107 113.413 115.700 -0.299 0.000 2.607 222 S HA -0.096 4.379 4.470 0.008 0.000 0.224 222 S C 1.253 175.671 174.600 -0.303 0.000 0.969 222 S CA 0.193 58.231 58.200 -0.271 0.000 0.927 222 S CB -0.617 62.416 63.200 -0.278 0.000 0.772 222 S HN 0.546 nan 8.310 nan 0.000 0.533 223 H N -0.045 118.856 119.070 -0.281 0.000 2.539 223 H HA 0.276 4.839 4.556 0.013 0.000 0.269 223 H C -0.109 175.039 175.328 -0.300 0.000 0.980 223 H CA 0.192 56.045 56.048 -0.325 0.000 1.152 223 H CB 0.255 29.734 29.762 -0.472 0.000 1.407 223 H HN 0.444 nan 8.280 nan 0.000 0.564 224 H N -0.421 118.699 119.070 0.083 0.000 2.600 224 H HA 0.192 4.750 4.556 0.003 0.000 0.357 224 H C 0.851 176.206 175.328 0.044 0.000 1.106 224 H CA -0.668 55.417 56.048 0.062 0.000 1.193 224 H CB 1.621 31.416 29.762 0.055 0.000 1.594 224 H HN 0.102 nan 8.280 nan 0.000 0.526 225 R N 1.873 122.470 120.500 0.162 0.000 2.113 225 R HA -0.170 4.175 4.340 0.008 0.000 0.244 225 R C 1.443 177.794 176.300 0.085 0.000 1.142 225 R CA 2.228 58.376 56.100 0.081 0.000 0.953 225 R CB 0.207 30.529 30.300 0.037 0.000 0.860 225 R HN 0.723 nan 8.270 nan 0.000 0.438 226 E N -0.960 119.305 120.200 0.108 0.000 2.152 226 E HA -0.097 4.258 4.350 0.008 0.000 0.192 226 E C 1.902 178.564 176.600 0.104 0.000 0.983 226 E CA 1.312 57.770 56.400 0.096 0.000 0.818 226 E CB -0.413 29.346 29.700 0.098 0.000 0.758 226 E HN 0.532 nan 8.360 nan 0.000 0.467 227 G N 1.956 110.832 108.800 0.126 0.000 2.403 227 G HA2 -0.134 3.830 3.960 0.008 0.000 0.216 227 G HA3 -0.134 3.830 3.960 0.008 0.000 0.216 227 G C 1.788 176.726 174.900 0.065 0.000 1.154 227 G CA 0.539 45.692 45.100 0.089 0.000 0.784 227 G HN 0.147 nan 8.290 nan 0.000 0.538 228 L N -0.337 120.925 121.223 0.065 0.000 2.042 228 L HA -0.062 4.283 4.340 0.008 0.000 0.210 228 L C 2.684 179.610 176.870 0.093 0.000 1.076 228 L CA 0.619 55.496 54.840 0.061 0.000 0.749 228 L CB -0.365 41.727 42.059 0.054 0.000 0.893 228 L HN 0.220 nan 8.230 nan 0.000 0.432 229 L N -0.195 121.081 121.223 0.088 0.000 2.093 229 L HA -0.111 4.234 4.340 0.008 0.000 0.208 229 L C 2.581 179.542 176.870 0.152 0.000 1.085 229 L CA 1.860 56.771 54.840 0.119 0.000 0.755 229 L CB -0.617 41.490 42.059 0.081 0.000 0.904 229 L HN 0.147 nan 8.230 nan 0.000 0.435 230 A N -0.315 122.568 122.820 0.106 0.000 1.898 230 A HA -0.168 4.157 4.320 0.008 0.000 0.216 230 A C 2.248 179.881 177.584 0.081 0.000 1.181 230 A CA 1.994 54.081 52.037 0.084 0.000 0.620 230 A CB -0.828 18.210 19.000 0.064 0.000 0.819 230 A HN 0.470 nan 8.150 nan 0.000 0.442 231 I N -1.844 118.778 120.570 0.088 0.000 2.226 231 I HA -0.240 3.935 4.170 0.008 0.000 0.245 231 I C 2.334 178.517 176.117 0.110 0.000 1.100 231 I CA 1.575 62.921 61.300 0.077 0.000 1.374 231 I CB -0.321 37.720 38.000 0.067 0.000 1.057 231 I HN 0.447 nan 8.210 nan 0.000 0.413 232 F N 1.896 121.850 119.950 0.006 0.000 2.075 232 F HA -0.209 4.322 4.527 0.007 0.000 0.297 232 F C 2.388 178.192 175.800 0.006 0.000 1.113 232 F CA 1.746 59.750 58.000 0.006 0.000 1.218 232 F CB -0.273 38.732 39.000 0.009 0.000 0.984 232 F HN -0.207 nan 8.300 nan 0.000 0.472 233 K N -0.362 120.067 120.400 0.048 0.000 2.360 233 K HA -0.049 4.275 4.320 0.008 0.000 0.201 233 K C 1.445 177.991 176.600 -0.090 0.000 1.046 233 K CA 1.213 57.467 56.287 -0.054 0.000 0.945 233 K CB -0.149 32.386 32.500 0.058 0.000 0.750 233 K HN 0.146 nan 8.250 nan 0.000 0.464 234 S N -0.352 115.312 115.700 -0.060 0.000 2.582 234 S HA 0.159 4.634 4.470 0.008 0.000 0.234 234 S C 0.620 175.178 174.600 -0.071 0.000 0.961 234 S CA 0.266 58.436 58.200 -0.051 0.000 0.953 234 S CB 1.006 64.197 63.200 -0.016 0.000 0.800 234 S HN 0.511 nan 8.310 nan 0.000 0.471 235 G N 1.307 110.031 108.800 -0.126 0.000 2.221 235 G HA2 -0.243 3.721 3.960 0.008 0.000 0.265 235 G HA3 -0.243 3.721 3.960 0.008 0.000 0.265 235 G C 0.753 175.613 174.900 -0.066 0.000 1.041 235 G CA 0.149 45.179 45.100 -0.117 0.000 0.807 235 G HN 0.631 nan 8.290 nan 0.000 0.502 236 G N -0.489 108.284 108.800 -0.046 0.000 2.551 236 G HA2 0.211 4.176 3.960 0.008 0.000 0.216 236 G HA3 0.211 4.176 3.960 0.008 0.000 0.216 236 G C 1.715 176.624 174.900 0.015 0.000 1.137 236 G CA 0.989 46.086 45.100 -0.005 0.000 0.798 236 G HN 0.577 nan 8.290 nan 0.000 0.536 237 I N 1.301 121.883 120.570 0.019 0.000 2.163 237 I HA -0.080 4.095 4.170 0.008 0.000 0.240 237 I C -0.169 175.962 176.117 0.024 0.000 1.081 237 I CA 0.942 62.268 61.300 0.045 0.000 1.353 237 I CB -0.740 37.312 38.000 0.086 0.000 1.054 237 I HN 0.085 nan 8.210 nan 0.000 0.407 238 P HA -0.192 nan 4.420 nan 0.000 0.217 238 P C 1.354 178.657 177.300 0.005 0.000 1.148 238 P CA 1.784 64.884 63.100 -0.000 0.000 0.828 238 P CB -0.032 31.657 31.700 -0.018 0.000 0.783 239 A N -0.824 121.998 122.820 0.003 0.000 1.897 239 A HA -0.122 4.202 4.320 0.008 0.000 0.215 239 A C 2.179 179.774 177.584 0.019 0.000 1.181 239 A CA 1.253 53.293 52.037 0.006 0.000 0.620 239 A CB -1.555 17.445 19.000 -0.000 0.000 0.821 239 A HN 0.112 nan 8.150 nan 0.000 0.443 240 L N -0.502 120.739 121.223 0.030 0.000 2.131 240 L HA -0.138 4.206 4.340 0.008 0.000 0.210 240 L C 2.453 179.355 176.870 0.053 0.000 1.092 240 L CA 0.764 55.633 54.840 0.048 0.000 0.759 240 L CB -0.408 41.688 42.059 0.060 0.000 0.903 240 L HN 0.234 nan 8.230 nan 0.000 0.435 241 V N -0.109 119.831 119.914 0.043 0.000 2.427 241 V HA -0.285 3.840 4.120 0.008 0.000 0.248 241 V C 2.598 178.715 176.094 0.038 0.000 1.051 241 V CA 1.600 63.926 62.300 0.043 0.000 1.048 241 V CB -0.503 31.340 31.823 0.034 0.000 0.666 241 V HN 0.429 nan 8.190 nan 0.000 0.456 242 K N -0.350 120.066 120.400 0.027 0.000 2.097 242 K HA -0.178 4.146 4.320 0.008 0.000 0.206 242 K C 2.040 178.654 176.600 0.024 0.000 1.049 242 K CA 1.433 57.732 56.287 0.021 0.000 0.933 242 K CB -0.122 32.385 32.500 0.012 0.000 0.717 242 K HN 0.278 nan 8.250 nan 0.000 0.442 243 M N 0.936 120.554 119.600 0.031 0.000 2.549 243 M HA -0.054 4.431 4.480 0.008 0.000 0.260 243 M C 1.788 178.115 176.300 0.044 0.000 1.076 243 M CA 0.878 56.197 55.300 0.032 0.000 1.090 243 M CB -0.596 32.029 32.600 0.041 0.000 1.418 243 M HN 0.120 nan 8.290 nan 0.000 0.486 244 L N -0.820 120.441 121.223 0.064 0.000 2.549 244 L HA -0.045 4.299 4.340 0.008 0.000 0.229 244 L C 1.903 178.810 176.870 0.062 0.000 1.158 244 L CA 0.482 55.376 54.840 0.089 0.000 0.842 244 L CB -0.805 41.316 42.059 0.104 0.000 0.952 244 L HN 0.353 nan 8.230 nan 0.000 0.452 245 G N -1.447 107.372 108.800 0.033 0.000 3.393 245 G HA2 -0.004 3.961 3.960 0.008 0.000 0.255 245 G HA3 -0.004 3.961 3.960 0.008 0.000 0.255 245 G C 0.481 175.375 174.900 -0.009 0.000 1.097 245 G CA -0.120 44.989 45.100 0.015 0.000 0.780 245 G HN 0.155 nan 8.290 nan 0.000 0.540 246 S N 1.292 116.980 115.700 -0.020 0.000 2.549 246 S HA 0.339 4.814 4.470 0.008 0.000 0.279 246 S C -0.614 173.938 174.600 -0.080 0.000 1.321 246 S CA -0.996 57.176 58.200 -0.046 0.000 1.054 246 S CB 1.475 64.645 63.200 -0.051 0.000 0.899 246 S HN 0.123 nan 8.310 nan 0.000 0.497 247 P HA 0.112 nan 4.420 nan 0.000 0.245 247 P C -0.340 176.877 177.300 -0.139 0.000 1.206 247 P CA 0.173 63.213 63.100 -0.099 0.000 0.781 247 P CB -0.013 31.645 31.700 -0.070 0.000 0.994 248 V N 2.102 121.930 119.914 -0.144 0.000 2.389 248 V HA 0.069 4.193 4.120 0.008 0.000 0.264 248 V C 1.353 177.266 176.094 -0.302 0.000 1.049 248 V CA 0.092 62.285 62.300 -0.179 0.000 0.932 248 V CB 0.570 32.319 31.823 -0.124 0.000 1.011 248 V HN -0.107 nan 8.190 nan 0.000 0.475 249 D N 2.909 123.052 120.400 -0.428 0.000 2.182 249 D HA -0.149 4.495 4.640 0.008 0.000 0.201 249 D C 2.280 177.934 176.300 -1.077 0.000 0.986 249 D CA 1.908 55.403 54.000 -0.841 0.000 0.847 249 D CB 0.119 40.405 40.800 -0.856 0.000 0.942 249 D HN 0.724 nan 8.370 nan 0.000 0.467 250 S N -0.508 114.832 115.700 -0.600 0.000 2.383 250 S HA -0.097 4.378 4.470 0.008 0.000 0.227 250 S C 2.185 176.605 174.600 -0.299 0.000 1.026 250 S CA 0.776 58.708 58.200 -0.447 0.000 0.981 250 S CB -0.539 62.513 63.200 -0.246 0.000 0.818 250 S HN 0.091 nan 8.310 nan 0.000 0.472 251 V N 1.857 121.674 119.914 -0.162 0.000 2.427 251 V HA -0.041 4.083 4.120 0.008 0.000 0.248 251 V C 2.499 178.591 176.094 -0.002 0.000 1.051 251 V CA 1.577 63.877 62.300 0.001 0.000 1.048 251 V CB -0.768 31.043 31.823 -0.020 0.000 0.666 251 V HN 0.483 nan 8.190 nan 0.000 0.456 252 L N -1.126 120.008 121.223 -0.148 0.000 2.046 252 L HA -0.154 4.191 4.340 0.008 0.000 0.208 252 L C 2.479 179.467 176.870 0.196 0.000 1.077 252 L CA 1.888 56.698 54.840 -0.050 0.000 0.747 252 L CB -0.308 41.586 42.059 -0.275 0.000 0.896 252 L HN 0.258 nan 8.230 nan 0.000 0.432 253 F N -0.818 119.117 119.950 -0.026 0.000 2.146 253 F HA -0.194 4.338 4.527 0.007 0.000 0.298 253 F C 2.418 178.217 175.800 -0.002 0.000 1.096 253 F CA 0.609 58.606 58.000 -0.005 0.000 1.275 253 F CB -1.457 37.438 39.000 -0.175 0.000 1.008 253 F HN 0.084 nan 8.300 nan 0.000 0.480 254 Y N -0.120 120.273 120.300 0.156 0.000 2.224 254 Y HA -0.193 4.361 4.550 0.006 0.000 0.289 254 Y C 2.543 178.524 175.900 0.135 0.000 1.146 254 Y CA 0.775 58.905 58.100 0.051 0.000 1.182 254 Y CB -0.396 38.051 38.460 -0.023 0.000 0.983 254 Y HN 0.028 nan 8.280 nan 0.000 0.524 255 A N -0.306 122.688 122.820 0.290 0.000 1.897 255 A HA -0.151 4.174 4.320 0.008 0.000 0.215 255 A C 2.058 179.767 177.584 0.208 0.000 1.181 255 A CA 1.406 53.569 52.037 0.211 0.000 0.620 255 A CB -0.756 18.339 19.000 0.158 0.000 0.821 255 A HN 0.438 nan 8.150 nan 0.000 0.443 256 I N 0.531 121.250 120.570 0.247 0.000 2.286 256 I HA -0.172 4.002 4.170 0.008 0.000 0.245 256 I C 2.685 178.915 176.117 0.189 0.000 1.104 256 I CA 2.305 63.724 61.300 0.198 0.000 1.397 256 I CB -0.333 37.787 38.000 0.201 0.000 1.072 256 I HN 0.495 nan 8.210 nan 0.000 0.417 257 T N -3.257 111.435 114.554 0.230 0.000 2.821 257 T HA -0.150 4.205 4.350 0.008 0.000 0.267 257 T C 1.874 176.719 174.700 0.241 0.000 1.046 257 T CA 1.883 64.128 62.100 0.242 0.000 1.139 257 T CB -1.216 67.849 68.868 0.328 0.000 0.871 257 T HN 0.277 nan 8.240 nan 0.000 0.454 258 T N 2.200 116.908 114.554 0.256 0.000 2.746 258 T HA 0.129 4.484 4.350 0.008 0.000 0.267 258 T C 1.891 176.645 174.700 0.090 0.000 1.039 258 T CA 1.045 63.222 62.100 0.129 0.000 1.142 258 T CB -0.472 68.476 68.868 0.135 0.000 0.866 258 T HN 0.262 nan 8.240 nan 0.000 0.444 259 L N -0.002 121.288 121.223 0.113 0.000 2.093 259 L HA -0.091 4.254 4.340 0.008 0.000 0.208 259 L C 2.694 179.589 176.870 0.042 0.000 1.085 259 L CA 1.160 56.043 54.840 0.073 0.000 0.755 259 L CB -0.519 41.587 42.059 0.077 0.000 0.904 259 L HN 0.402 nan 8.230 nan 0.000 0.435 260 H N 0.529 119.597 119.070 -0.002 0.000 2.353 260 H HA -0.155 4.406 4.556 0.007 0.000 0.300 260 H C 1.891 177.172 175.328 -0.078 0.000 1.090 260 H CA 1.680 57.703 56.048 -0.040 0.000 1.327 260 H CB 0.263 30.009 29.762 -0.028 0.000 1.383 260 H HN 0.344 nan 8.280 nan 0.000 0.508 261 N N 0.624 119.362 118.700 0.063 0.000 2.188 261 N HA -0.101 4.644 4.740 0.008 0.000 0.184 261 N C 2.355 177.814 175.510 -0.085 0.000 1.018 261 N CA 0.584 53.622 53.050 -0.019 0.000 0.858 261 N CB -0.396 38.093 38.487 0.003 0.000 0.989 261 N HN 0.339 nan 8.380 nan 0.000 0.426 262 L N 0.357 121.551 121.223 -0.048 0.000 2.093 262 L HA -0.029 4.316 4.340 0.008 0.000 0.208 262 L C 2.069 178.881 176.870 -0.097 0.000 1.085 262 L CA 0.627 55.443 54.840 -0.039 0.000 0.755 262 L CB -0.230 41.836 42.059 0.011 0.000 0.904 262 L HN 0.108 nan 8.230 nan 0.000 0.435 263 L N -0.994 120.138 121.223 -0.150 0.000 2.217 263 L HA -0.171 4.173 4.340 0.008 0.000 0.211 263 L C 2.307 179.033 176.870 -0.240 0.000 1.107 263 L CA 0.831 55.559 54.840 -0.187 0.000 0.783 263 L CB -0.219 41.703 42.059 -0.228 0.000 0.919 263 L HN 0.263 nan 8.230 nan 0.000 0.442 264 L N -1.334 119.681 121.223 -0.345 0.000 2.095 264 L HA -0.124 4.221 4.340 0.008 0.000 0.204 264 L C 2.033 178.751 176.870 -0.254 0.000 1.080 264 L CA 0.853 55.437 54.840 -0.426 0.000 0.759 264 L CB -0.234 41.375 42.059 -0.750 0.000 0.914 264 L HN 0.352 nan 8.230 nan 0.000 0.439 265 H N -2.540 116.488 119.070 -0.071 0.000 3.170 265 H HA 0.234 4.794 4.556 0.007 0.000 0.264 265 H C -0.093 175.186 175.328 -0.082 0.000 1.113 265 H CA -0.081 55.934 56.048 -0.056 0.000 1.194 265 H CB 0.611 30.359 29.762 -0.024 0.000 1.553 265 H HN 0.106 nan 8.280 nan 0.000 0.538 266 Q N 1.896 121.684 119.800 -0.019 0.000 2.381 266 Q HA 0.221 4.566 4.340 0.008 0.000 0.263 266 Q C -0.771 175.092 176.000 -0.228 0.000 1.030 266 Q CA -0.681 55.042 55.803 -0.133 0.000 0.772 266 Q CB 1.218 29.859 28.738 -0.161 0.000 1.232 266 Q HN 0.008 nan 8.270 nan 0.000 0.476 267 E N 2.690 122.757 120.200 -0.222 0.000 2.558 267 E HA 0.280 4.635 4.350 0.008 0.000 0.255 267 E C 0.852 177.208 176.600 -0.407 0.000 0.968 267 E CA 1.949 58.212 56.400 -0.227 0.000 0.939 267 E CB -0.064 29.540 29.700 -0.159 0.000 0.921 267 E HN 0.819 nan 8.360 nan 0.000 0.477 268 G N 2.948 111.593 108.800 -0.260 0.000 2.234 268 G HA2 -0.336 3.629 3.960 0.008 0.000 0.235 268 G HA3 -0.336 3.629 3.960 0.008 0.000 0.235 268 G C 1.108 175.970 174.900 -0.064 0.000 0.997 268 G CA 0.403 45.391 45.100 -0.187 0.000 0.623 268 G HN 0.888 nan 8.290 nan 0.000 0.514 269 A N 0.437 123.156 122.820 -0.167 0.000 1.972 269 A HA 0.147 4.472 4.320 0.008 0.000 0.219 269 A C 2.170 179.776 177.584 0.037 0.000 1.169 269 A CA 2.219 54.259 52.037 0.005 0.000 0.635 269 A CB -0.383 18.584 19.000 -0.056 0.000 0.810 269 A HN 0.531 nan 8.150 nan 0.000 0.446 270 K N -1.116 119.280 120.400 -0.005 0.000 2.001 270 K HA -0.080 4.244 4.320 0.008 0.000 0.208 270 K C 1.986 178.603 176.600 0.028 0.000 1.048 270 K CA 1.426 57.713 56.287 0.000 0.000 0.932 270 K CB -0.291 32.200 32.500 -0.016 0.000 0.715 270 K HN 0.302 nan 8.250 nan 0.000 0.437 271 M N 0.659 120.285 119.600 0.043 0.000 2.159 271 M HA -0.084 4.400 4.480 0.008 0.000 0.263 271 M C 2.318 178.658 176.300 0.066 0.000 1.063 271 M CA 1.308 56.639 55.300 0.051 0.000 1.110 271 M CB -1.070 31.564 32.600 0.057 0.000 1.374 271 M HN 0.179 nan 8.290 nan 0.000 0.411 272 A N -0.603 122.283 122.820 0.110 0.000 1.873 272 A HA -0.080 4.244 4.320 0.008 0.000 0.215 272 A C 2.403 180.027 177.584 0.066 0.000 1.186 272 A CA 1.668 53.768 52.037 0.106 0.000 0.616 272 A CB -0.953 18.166 19.000 0.198 0.000 0.823 272 A HN 0.274 nan 8.150 nan 0.000 0.442 273 V N 0.169 120.121 119.914 0.063 0.000 2.332 273 V HA -0.292 3.832 4.120 0.008 0.000 0.248 273 V C 2.674 178.785 176.094 0.028 0.000 1.055 273 V CA 2.317 64.641 62.300 0.041 0.000 1.038 273 V CB -0.835 31.006 31.823 0.030 0.000 0.651 273 V HN 0.523 nan 8.190 nan 0.000 0.450 274 R N -0.742 119.773 120.500 0.025 0.000 2.083 274 R HA -0.153 4.192 4.340 0.008 0.000 0.237 274 R C 2.190 178.500 176.300 0.018 0.000 1.137 274 R CA 1.291 57.402 56.100 0.018 0.000 0.951 274 R CB -0.532 29.777 30.300 0.015 0.000 0.851 274 R HN 0.293 nan 8.270 nan 0.000 0.434 275 L N 0.353 121.589 121.223 0.022 0.000 2.131 275 L HA -0.098 4.246 4.340 0.008 0.000 0.210 275 L C 2.103 178.981 176.870 0.013 0.000 1.092 275 L CA 1.643 56.493 54.840 0.017 0.000 0.759 275 L CB -0.815 41.255 42.059 0.019 0.000 0.903 275 L HN 0.177 nan 8.230 nan 0.000 0.435 276 A N -1.611 121.219 122.820 0.016 0.000 2.251 276 A HA 0.428 4.752 4.320 0.008 0.000 0.209 276 A C 1.559 179.152 177.584 0.014 0.000 1.187 276 A CA 0.626 52.671 52.037 0.013 0.000 0.823 276 A CB -0.503 18.507 19.000 0.016 0.000 0.846 276 A HN 0.527 nan 8.150 nan 0.000 0.486 277 G N -1.518 107.291 108.800 0.015 0.000 2.212 277 G HA2 -0.115 3.850 3.960 0.008 0.000 0.255 277 G HA3 -0.115 3.850 3.960 0.008 0.000 0.255 277 G C 0.991 175.903 174.900 0.019 0.000 1.062 277 G CA 0.428 45.537 45.100 0.015 0.000 0.815 277 G HN 1.174 nan 8.290 nan 0.000 0.497 278 G N -0.463 108.350 108.800 0.021 0.000 2.464 278 G HA2 0.177 4.142 3.960 0.008 0.000 0.217 278 G HA3 0.177 4.142 3.960 0.008 0.000 0.217 278 G C 1.755 176.669 174.900 0.023 0.000 1.138 278 G CA 1.100 46.215 45.100 0.026 0.000 0.793 278 G HN 0.580 nan 8.290 nan 0.000 0.539 279 L N -0.143 121.090 121.223 0.016 0.000 2.027 279 L HA -0.082 4.263 4.340 0.008 0.000 0.206 279 L C 2.932 179.812 176.870 0.017 0.000 1.074 279 L CA 1.604 56.451 54.840 0.012 0.000 0.745 279 L CB -0.434 41.629 42.059 0.006 0.000 0.898 279 L HN 0.304 nan 8.230 nan 0.000 0.433 280 Q N 0.516 120.327 119.800 0.018 0.000 2.061 280 Q HA -0.261 4.083 4.340 0.008 0.000 0.204 280 Q C 2.158 178.176 176.000 0.030 0.000 0.984 280 Q CA 1.829 57.645 55.803 0.021 0.000 0.846 280 Q CB 0.046 28.796 28.738 0.019 0.000 0.902 280 Q HN 0.364 nan 8.270 nan 0.000 0.421 281 K N -0.214 120.207 120.400 0.035 0.000 2.057 281 K HA -0.131 4.193 4.320 0.008 0.000 0.207 281 K C 2.146 178.783 176.600 0.063 0.000 1.049 281 K CA 1.706 58.022 56.287 0.049 0.000 0.931 281 K CB -0.136 32.394 32.500 0.051 0.000 0.714 281 K HN 0.366 nan 8.250 nan 0.000 0.440 282 M N 0.429 120.057 119.600 0.048 0.000 2.175 282 M HA -0.131 4.353 4.480 0.008 0.000 0.264 282 M C 2.183 178.505 176.300 0.037 0.000 1.063 282 M CA 1.081 56.405 55.300 0.039 0.000 1.119 282 M CB -0.077 32.527 32.600 0.006 0.000 1.377 282 M HN -0.091 nan 8.290 nan 0.000 0.415 283 V N 0.241 120.174 119.914 0.032 0.000 2.427 283 V HA -0.212 3.912 4.120 0.008 0.000 0.248 283 V C 2.573 178.699 176.094 0.052 0.000 1.051 283 V CA 1.900 64.220 62.300 0.033 0.000 1.048 283 V CB -1.101 30.736 31.823 0.025 0.000 0.666 283 V HN 0.509 nan 8.190 nan 0.000 0.456 284 A N -0.308 122.547 122.820 0.058 0.000 2.019 284 A HA -0.096 4.229 4.320 0.008 0.000 0.219 284 A C 2.072 179.715 177.584 0.098 0.000 1.164 284 A CA 1.409 53.486 52.037 0.067 0.000 0.644 284 A CB -0.480 18.554 19.000 0.057 0.000 0.805 284 A HN 0.539 nan 8.150 nan 0.000 0.449 285 L N -0.380 120.924 121.223 0.135 0.000 2.610 285 L HA 0.046 4.391 4.340 0.008 0.000 0.232 285 L C 1.678 178.695 176.870 0.245 0.000 1.149 285 L CA 0.038 55.020 54.840 0.237 0.000 0.872 285 L CB -0.218 42.071 42.059 0.384 0.000 0.992 285 L HN 0.347 nan 8.230 nan 0.000 0.447 286 L N -0.145 121.161 121.223 0.139 0.000 2.551 286 L HA -0.069 4.275 4.340 0.008 0.000 0.228 286 L C 1.367 178.320 176.870 0.139 0.000 1.153 286 L CA 0.471 55.380 54.840 0.115 0.000 0.851 286 L CB -0.370 41.731 42.059 0.070 0.000 0.959 286 L HN 0.415 nan 8.230 nan 0.000 0.451 287 N N -0.480 118.301 118.700 0.136 0.000 2.336 287 N HA 0.030 4.775 4.740 0.008 0.000 0.189 287 N C 0.395 175.987 175.510 0.136 0.000 1.113 287 N CA 0.203 53.329 53.050 0.126 0.000 0.858 287 N CB 0.390 38.931 38.487 0.090 0.000 0.970 287 N HN 0.198 nan 8.380 nan 0.000 0.471 288 K N 0.723 121.225 120.400 0.170 0.000 2.149 288 K HA 0.117 4.441 4.320 0.008 0.000 0.245 288 K C 1.439 178.141 176.600 0.171 0.000 1.024 288 K CA 0.267 56.643 56.287 0.149 0.000 0.899 288 K CB 0.372 32.972 32.500 0.167 0.000 1.038 288 K HN 0.125 nan 8.250 nan 0.000 0.496 289 T N -3.599 111.035 114.554 0.134 0.000 3.043 289 T HA 0.031 4.386 4.350 0.008 0.000 0.272 289 T C 0.482 175.224 174.700 0.070 0.000 0.990 289 T CA -0.410 61.784 62.100 0.158 0.000 0.897 289 T CB 0.024 68.991 68.868 0.166 0.000 1.111 289 T HN 0.364 nan 8.240 nan 0.000 0.529 290 N N 2.944 121.676 118.700 0.053 0.000 2.405 290 N HA 0.064 4.808 4.740 0.008 0.000 0.260 290 N C 1.670 177.138 175.510 -0.071 0.000 1.152 290 N CA 0.205 53.248 53.050 -0.011 0.000 0.948 290 N CB 1.712 40.199 38.487 -0.000 0.000 1.111 290 N HN 0.259 nan 8.380 nan 0.000 0.485 291 V N 3.025 122.813 119.914 -0.210 0.000 2.490 291 V HA -0.171 3.954 4.120 0.008 0.000 0.250 291 V C 1.961 177.954 176.094 -0.170 0.000 1.061 291 V CA 1.310 63.429 62.300 -0.302 0.000 1.064 291 V CB -0.455 31.126 31.823 -0.403 0.000 0.670 291 V HN 0.513 nan 8.190 nan 0.000 0.461 292 K N 0.071 120.345 120.400 -0.209 0.000 2.025 292 K HA -0.053 4.271 4.320 0.008 0.000 0.207 292 K C 2.052 178.600 176.600 -0.086 0.000 1.049 292 K CA 1.833 58.058 56.287 -0.104 0.000 0.933 292 K CB -0.467 31.928 32.500 -0.174 0.000 0.714 292 K HN 0.558 nan 8.250 nan 0.000 0.438 293 F N 2.026 121.817 119.950 -0.265 0.000 2.171 293 F HA -0.152 4.379 4.527 0.007 0.000 0.300 293 F C 1.695 177.440 175.800 -0.092 0.000 1.090 293 F CA 1.244 59.119 58.000 -0.208 0.000 1.293 293 F CB -0.128 38.758 39.000 -0.190 0.000 1.013 293 F HN -0.105 nan 8.300 nan 0.000 0.486 294 L N -0.065 121.079 121.223 -0.131 0.000 2.141 294 L HA -0.144 4.201 4.340 0.008 0.000 0.209 294 L C 2.808 179.556 176.870 -0.203 0.000 1.094 294 L CA 0.996 55.711 54.840 -0.209 0.000 0.763 294 L CB -1.134 40.850 42.059 -0.126 0.000 0.908 294 L HN 0.283 nan 8.230 nan 0.000 0.437 295 A N 0.277 123.025 122.820 -0.121 0.000 1.930 295 A HA -0.148 4.177 4.320 0.008 0.000 0.217 295 A C 2.151 179.652 177.584 -0.137 0.000 1.175 295 A CA 1.410 53.403 52.037 -0.074 0.000 0.627 295 A CB -0.495 18.533 19.000 0.046 0.000 0.815 295 A HN 0.370 nan 8.150 nan 0.000 0.443 296 I N -0.910 119.539 120.570 -0.202 0.000 2.500 296 I HA -0.136 4.039 4.170 0.008 0.000 0.252 296 I C 2.437 178.447 176.117 -0.177 0.000 1.142 296 I CA 1.365 62.533 61.300 -0.221 0.000 1.451 296 I CB -0.397 37.457 38.000 -0.243 0.000 1.093 296 I HN 0.197 nan 8.210 nan 0.000 0.430 297 T N 0.213 114.561 114.554 -0.344 0.000 2.708 297 T HA -0.163 4.191 4.350 0.008 0.000 0.266 297 T C 2.013 176.615 174.700 -0.163 0.000 1.037 297 T CA 2.172 64.081 62.100 -0.318 0.000 1.146 297 T CB -0.474 68.072 68.868 -0.537 0.000 0.865 297 T HN 0.520 nan 8.240 nan 0.000 0.435 298 T N 0.257 114.718 114.554 -0.155 0.000 2.867 298 T HA -0.102 4.253 4.350 0.008 0.000 0.268 298 T C 1.682 176.320 174.700 -0.104 0.000 1.057 298 T CA 1.441 63.475 62.100 -0.111 0.000 1.136 298 T CB -0.481 68.323 68.868 -0.107 0.000 0.874 298 T HN 0.241 nan 8.240 nan 0.000 0.466 299 D N 0.267 120.615 120.400 -0.088 0.000 2.178 299 D HA -0.030 4.615 4.640 0.008 0.000 0.202 299 D C 1.984 178.270 176.300 -0.023 0.000 0.974 299 D CA 0.638 54.609 54.000 -0.048 0.000 0.841 299 D CB -0.498 40.346 40.800 0.073 0.000 0.953 299 D HN 0.467 nan 8.370 nan 0.000 0.478 300 C N -0.194 119.112 119.300 0.010 0.000 2.440 300 C HA -0.020 4.444 4.460 0.008 0.000 0.278 300 C C 2.720 177.674 174.990 -0.060 0.000 1.295 300 C CA 0.177 59.168 59.018 -0.044 0.000 1.738 300 C CB -1.077 26.656 27.740 -0.012 0.000 1.987 300 C HN 0.428 nan 8.230 nan 0.000 0.492 301 L N 0.611 121.802 121.223 -0.054 0.000 2.083 301 L HA -0.187 4.157 4.340 0.008 0.000 0.209 301 L C 2.927 179.771 176.870 -0.044 0.000 1.083 301 L CA 1.399 56.212 54.840 -0.045 0.000 0.752 301 L CB -0.751 41.282 42.059 -0.044 0.000 0.899 301 L HN 0.442 nan 8.230 nan 0.000 0.433 302 Q N 0.867 120.629 119.800 -0.064 0.000 2.083 302 Q HA -0.155 4.190 4.340 0.008 0.000 0.198 302 Q C 2.232 178.210 176.000 -0.036 0.000 0.969 302 Q CA 1.526 57.294 55.803 -0.058 0.000 0.838 302 Q CB -0.046 28.623 28.738 -0.114 0.000 0.900 302 Q HN 0.530 nan 8.270 nan 0.000 0.436 303 I N 0.751 121.274 120.570 -0.078 0.000 2.226 303 I HA -0.299 3.875 4.170 0.008 0.000 0.245 303 I C 2.259 178.357 176.117 -0.031 0.000 1.100 303 I CA 0.941 62.189 61.300 -0.086 0.000 1.374 303 I CB -0.138 37.766 38.000 -0.160 0.000 1.057 303 I HN 0.155 nan 8.210 nan 0.000 0.413 304 L N -0.092 121.113 121.223 -0.030 0.000 2.270 304 L HA -0.019 4.326 4.340 0.008 0.000 0.210 304 L C 2.557 179.433 176.870 0.009 0.000 1.104 304 L CA 0.796 55.629 54.840 -0.011 0.000 0.804 304 L CB -0.412 41.635 42.059 -0.019 0.000 0.937 304 L HN 0.182 nan 8.230 nan 0.000 0.450 305 A N -1.177 121.652 122.820 0.014 0.000 2.030 305 A HA -0.113 4.211 4.320 0.008 0.000 0.215 305 A C 0.862 178.454 177.584 0.012 0.000 1.164 305 A CA -0.084 51.956 52.037 0.004 0.000 0.697 305 A CB -0.422 18.573 19.000 -0.008 0.000 0.827 305 A HN 0.304 nan 8.150 nan 0.000 0.457 306 Y N 1.484 121.747 120.300 -0.060 0.000 2.745 306 Y HA 0.272 4.828 4.550 0.009 0.000 0.335 306 Y C 1.398 177.266 175.900 -0.053 0.000 1.212 306 Y CA 0.711 58.773 58.100 -0.062 0.000 1.535 306 Y CB -0.127 38.290 38.460 -0.071 0.000 1.220 306 Y HN 0.525 nan 8.280 nan 0.000 0.531 307 G N 4.237 112.741 108.800 -0.494 0.000 2.179 307 G HA2 -0.382 3.582 3.960 0.008 0.000 0.257 307 G HA3 -0.382 3.582 3.960 0.008 0.000 0.257 307 G C -0.252 174.573 174.900 -0.124 0.000 1.010 307 G CA 0.386 45.293 45.100 -0.322 0.000 0.736 307 G HN 0.826 nan 8.290 nan 0.000 0.513 308 N N -0.468 118.175 118.700 -0.095 0.000 2.576 308 N HA 0.417 5.162 4.740 0.008 0.000 0.269 308 N C 0.961 176.440 175.510 -0.051 0.000 1.058 308 N CA -0.307 52.713 53.050 -0.050 0.000 0.860 308 N CB 0.737 39.214 38.487 -0.018 0.000 1.249 308 N HN 0.179 nan 8.380 nan 0.000 0.525 309 Q N 1.323 121.093 119.800 -0.050 0.000 2.135 309 Q HA -0.195 4.149 4.340 0.008 0.000 0.204 309 Q C 0.410 176.393 176.000 -0.029 0.000 0.981 309 Q CA 1.741 57.519 55.803 -0.043 0.000 0.856 309 Q CB 0.321 29.035 28.738 -0.039 0.000 0.902 309 Q HN 0.620 nan 8.270 nan 0.000 0.425 310 E N -0.277 119.910 120.200 -0.022 0.000 2.106 310 E HA -0.100 4.254 4.350 0.008 0.000 0.192 310 E C 1.986 178.579 176.600 -0.011 0.000 0.984 310 E CA 1.453 57.845 56.400 -0.013 0.000 0.806 310 E CB -0.020 29.675 29.700 -0.009 0.000 0.750 310 E HN 0.186 nan 8.360 nan 0.000 0.458 311 S N 0.262 115.954 115.700 -0.013 0.000 2.414 311 S HA -0.026 4.449 4.470 0.008 0.000 0.227 311 S C 1.595 176.187 174.600 -0.013 0.000 1.022 311 S CA 0.625 58.819 58.200 -0.010 0.000 0.958 311 S CB -0.006 63.188 63.200 -0.009 0.000 0.797 311 S HN 0.170 nan 8.310 nan 0.000 0.493 312 K N 1.160 121.547 120.400 -0.021 0.000 2.097 312 K HA 0.042 4.367 4.320 0.008 0.000 0.206 312 K C 1.834 178.425 176.600 -0.015 0.000 1.049 312 K CA 0.958 57.232 56.287 -0.022 0.000 0.933 312 K CB -0.300 32.180 32.500 -0.034 0.000 0.717 312 K HN 0.299 nan 8.250 nan 0.000 0.442 313 L N 0.518 121.733 121.223 -0.013 0.000 2.109 313 L HA -0.105 4.240 4.340 0.008 0.000 0.207 313 L C 2.266 179.134 176.870 -0.004 0.000 1.086 313 L CA 0.784 55.619 54.840 -0.009 0.000 0.760 313 L CB -0.299 41.755 42.059 -0.009 0.000 0.910 313 L HN 0.129 nan 8.230 nan 0.000 0.437 314 I N 0.007 120.575 120.570 -0.003 0.000 2.179 314 I HA -0.313 3.862 4.170 0.008 0.000 0.242 314 I C 2.426 178.544 176.117 0.003 0.000 1.088 314 I CA 1.521 62.822 61.300 0.001 0.000 1.357 314 I CB -0.164 37.837 38.000 0.002 0.000 1.051 314 I HN 0.135 nan 8.210 nan 0.000 0.409 315 I N 0.117 120.687 120.570 0.000 0.000 2.163 315 I HA -0.322 3.853 4.170 0.008 0.000 0.243 315 I C 2.488 178.608 176.117 0.004 0.000 1.085 315 I CA 1.312 62.613 61.300 0.002 0.000 1.347 315 I CB -0.309 37.689 38.000 -0.003 0.000 1.044 315 I HN 0.264 nan 8.210 nan 0.000 0.408 316 L N 1.059 122.283 121.223 0.002 0.000 2.093 316 L HA -0.094 4.250 4.340 0.008 0.000 0.208 316 L C 2.396 179.270 176.870 0.006 0.000 1.085 316 L CA 2.034 56.877 54.840 0.004 0.000 0.755 316 L CB -0.696 41.363 42.059 0.001 0.000 0.904 316 L HN 0.168 nan 8.230 nan 0.000 0.435 317 A N -1.851 120.973 122.820 0.005 0.000 2.119 317 A HA -0.010 4.315 4.320 0.008 0.000 0.217 317 A C 2.054 179.644 177.584 0.010 0.000 1.153 317 A CA 1.264 53.305 52.037 0.007 0.000 0.692 317 A CB -0.460 18.543 19.000 0.005 0.000 0.799 317 A HN 0.499 nan 8.150 nan 0.000 0.458 318 S N -1.193 114.514 115.700 0.012 0.000 2.577 318 S HA 0.406 4.880 4.470 0.008 0.000 0.219 318 S C 1.127 175.738 174.600 0.019 0.000 0.962 318 S CA 0.450 58.659 58.200 0.016 0.000 0.921 318 S CB 0.230 63.440 63.200 0.017 0.000 0.789 318 S HN 1.560 nan 8.310 nan 0.000 0.497 319 G N 1.308 110.119 108.800 0.017 0.000 2.149 319 G HA2 -0.209 3.755 3.960 0.008 0.000 0.235 319 G HA3 -0.209 3.755 3.960 0.008 0.000 0.235 319 G C 0.790 175.704 174.900 0.023 0.000 1.018 319 G CA 0.112 45.224 45.100 0.020 0.000 0.728 319 G HN 0.592 nan 8.290 nan 0.000 0.508 320 G N 0.680 109.491 108.800 0.019 0.000 2.433 320 G HA2 0.040 4.005 3.960 0.008 0.000 0.216 320 G HA3 0.040 4.005 3.960 0.008 0.000 0.216 320 G C 0.163 175.075 174.900 0.020 0.000 1.186 320 G CA 1.694 46.804 45.100 0.018 0.000 0.779 320 G HN 0.518 nan 8.290 nan 0.000 0.543 321 P HA -0.175 nan 4.420 nan 0.000 0.215 321 P C 1.855 179.172 177.300 0.028 0.000 1.163 321 P CA 1.798 64.911 63.100 0.021 0.000 0.894 321 P CB -0.004 31.706 31.700 0.017 0.000 0.791 322 Q N -0.554 119.262 119.800 0.028 0.000 2.124 322 Q HA -0.115 4.230 4.340 0.008 0.000 0.202 322 Q C 2.030 178.055 176.000 0.042 0.000 0.977 322 Q CA 2.041 57.863 55.803 0.032 0.000 0.850 322 Q CB -1.252 27.503 28.738 0.028 0.000 0.901 322 Q HN 0.129 nan 8.270 nan 0.000 0.429 323 A N -0.419 122.427 122.820 0.044 0.000 1.929 323 A HA -0.062 4.262 4.320 0.008 0.000 0.216 323 A C 2.029 179.653 177.584 0.067 0.000 1.176 323 A CA 1.082 53.154 52.037 0.059 0.000 0.628 323 A CB -0.536 18.498 19.000 0.056 0.000 0.816 323 A HN 0.419 nan 8.150 nan 0.000 0.444 324 L N -0.670 120.584 121.223 0.050 0.000 2.044 324 L HA -0.113 4.232 4.340 0.008 0.000 0.205 324 L C 2.474 179.381 176.870 0.062 0.000 1.075 324 L CA 0.877 55.746 54.840 0.048 0.000 0.747 324 L CB -0.525 41.550 42.059 0.026 0.000 0.903 324 L HN 0.216 nan 8.230 nan 0.000 0.435 325 V N 0.218 120.165 119.914 0.056 0.000 2.407 325 V HA -0.283 3.842 4.120 0.008 0.000 0.248 325 V C 2.017 178.155 176.094 0.073 0.000 1.055 325 V CA 1.996 64.333 62.300 0.062 0.000 1.049 325 V CB -0.821 31.030 31.823 0.048 0.000 0.662 325 V HN 0.511 nan 8.190 nan 0.000 0.455 326 N N -0.037 118.705 118.700 0.070 0.000 2.188 326 N HA -0.101 4.643 4.740 0.008 0.000 0.184 326 N C 1.881 177.451 175.510 0.101 0.000 1.018 326 N CA 1.273 54.364 53.050 0.068 0.000 0.858 326 N CB -0.166 38.358 38.487 0.062 0.000 0.989 326 N HN 0.399 nan 8.380 nan 0.000 0.426 327 I N 1.116 121.781 120.570 0.159 0.000 2.163 327 I HA -0.276 3.899 4.170 0.008 0.000 0.243 327 I C 2.156 178.419 176.117 0.244 0.000 1.085 327 I CA 0.978 62.447 61.300 0.282 0.000 1.347 327 I CB -0.118 38.019 38.000 0.228 0.000 1.044 327 I HN 0.198 nan 8.210 nan 0.000 0.408 328 M N -0.330 119.367 119.600 0.161 0.000 2.213 328 M HA -0.190 4.294 4.480 0.008 0.000 0.263 328 M C 2.164 178.620 176.300 0.259 0.000 1.062 328 M CA 1.589 56.996 55.300 0.179 0.000 1.105 328 M CB -1.291 31.398 32.600 0.148 0.000 1.385 328 M HN 0.150 nan 8.290 nan 0.000 0.417 329 R N -0.901 119.686 120.500 0.146 0.000 2.313 329 R HA 0.023 4.368 4.340 0.008 0.000 0.199 329 R C 1.307 177.617 176.300 0.017 0.000 0.958 329 R CA 0.773 56.921 56.100 0.080 0.000 1.047 329 R CB 0.256 30.579 30.300 0.040 0.000 0.955 329 R HN 0.277 nan 8.270 nan 0.000 0.481 330 T N -1.674 112.871 114.554 -0.016 0.000 3.115 330 T HA 0.187 4.542 4.350 0.008 0.000 0.256 330 T C -0.586 173.946 174.700 -0.280 0.000 0.970 330 T CA 0.243 62.201 62.100 -0.237 0.000 1.010 330 T CB 0.212 68.790 68.868 -0.483 0.000 1.151 330 T HN -0.110 nan 8.240 nan 0.000 0.479 331 Y N 1.530 121.895 120.300 0.108 0.000 2.488 331 Y HA 0.463 5.018 4.550 0.009 0.000 0.325 331 Y C 1.555 177.542 175.900 0.145 0.000 1.204 331 Y CA -0.758 57.411 58.100 0.115 0.000 1.229 331 Y CB 1.134 39.665 38.460 0.118 0.000 1.274 331 Y HN 0.024 nan 8.280 nan 0.000 0.493 332 T N -3.348 111.403 114.554 0.328 0.000 3.043 332 T HA 0.100 4.455 4.350 0.008 0.000 0.272 332 T C -0.419 174.429 174.700 0.247 0.000 0.990 332 T CA -0.129 62.118 62.100 0.244 0.000 0.897 332 T CB -0.542 68.432 68.868 0.177 0.000 1.111 332 T HN 0.386 nan 8.240 nan 0.000 0.529 333 Y N 3.458 123.832 120.300 0.122 0.000 2.537 333 Y HA 0.280 4.834 4.550 0.006 0.000 0.339 333 Y C 1.511 177.444 175.900 0.055 0.000 1.066 333 Y CA -1.409 56.730 58.100 0.064 0.000 1.357 333 Y CB 0.774 39.249 38.460 0.026 0.000 1.175 333 Y HN 0.113 nan 8.280 nan 0.000 0.525 334 E N 4.396 124.469 120.200 -0.211 0.000 2.150 334 E HA -0.196 4.159 4.350 0.008 0.000 0.193 334 E C 1.266 177.721 176.600 -0.242 0.000 0.985 334 E CA 1.165 57.456 56.400 -0.182 0.000 0.814 334 E CB 0.302 29.915 29.700 -0.145 0.000 0.752 334 E HN 0.788 nan 8.360 nan 0.000 0.466 335 K N 0.246 120.297 120.400 -0.580 0.000 2.057 335 K HA -0.140 4.184 4.320 0.008 0.000 0.207 335 K C 2.141 178.692 176.600 -0.082 0.000 1.049 335 K CA 1.077 57.176 56.287 -0.313 0.000 0.931 335 K CB -0.241 31.957 32.500 -0.505 0.000 0.714 335 K HN 0.066 nan 8.250 nan 0.000 0.440 336 L N 0.729 121.861 121.223 -0.151 0.000 2.072 336 L HA -0.054 4.291 4.340 0.008 0.000 0.205 336 L C 1.631 178.503 176.870 0.003 0.000 1.079 336 L CA 1.491 56.337 54.840 0.010 0.000 0.752 336 L CB -0.264 41.860 42.059 0.108 0.000 0.906 336 L HN 0.143 nan 8.230 nan 0.000 0.436 337 L N -1.864 119.360 121.223 0.002 0.000 2.083 337 L HA -0.231 4.114 4.340 0.008 0.000 0.209 337 L C 2.385 179.260 176.870 0.008 0.000 1.083 337 L CA 1.612 56.426 54.840 -0.044 0.000 0.752 337 L CB -0.787 41.191 42.059 -0.136 0.000 0.899 337 L HN 0.532 nan 8.230 nan 0.000 0.433 338 W N 1.391 122.615 121.300 -0.128 0.000 2.354 338 W HA -0.246 4.418 4.660 0.007 0.000 0.315 338 W C 2.859 179.347 176.519 -0.053 0.000 1.206 338 W CA 2.361 59.654 57.345 -0.088 0.000 1.290 338 W CB -0.751 28.652 29.460 -0.096 0.000 1.152 338 W HN 0.263 nan 8.180 nan 0.000 0.489 339 T N -2.543 111.823 114.554 -0.312 0.000 2.788 339 T HA -0.206 4.148 4.350 0.008 0.000 0.268 339 T C 1.693 176.232 174.700 -0.267 0.000 1.044 339 T CA 2.217 64.032 62.100 -0.474 0.000 1.139 339 T CB -1.190 67.499 68.868 -0.297 0.000 0.867 339 T HN 0.138 nan 8.240 nan 0.000 0.454 340 T N 2.570 117.037 114.554 -0.144 0.000 2.777 340 T HA -0.103 4.251 4.350 0.008 0.000 0.266 340 T C 2.490 177.146 174.700 -0.073 0.000 1.040 340 T CA 1.767 63.817 62.100 -0.084 0.000 1.141 340 T CB -0.666 68.182 68.868 -0.033 0.000 0.868 340 T HN 0.759 nan 8.240 nan 0.000 0.444 341 S N 1.899 117.556 115.700 -0.072 0.000 2.419 341 S HA -0.097 4.378 4.470 0.008 0.000 0.233 341 S C 2.044 176.623 174.600 -0.035 0.000 1.016 341 S CA 0.655 58.838 58.200 -0.028 0.000 0.974 341 S CB -0.373 62.832 63.200 0.008 0.000 0.786 341 S HN 0.413 nan 8.310 nan 0.000 0.492 342 R N 0.494 120.914 120.500 -0.132 0.000 2.115 342 R HA 0.072 4.417 4.340 0.008 0.000 0.226 342 R C 2.277 178.531 176.300 -0.076 0.000 1.100 342 R CA 1.227 57.251 56.100 -0.128 0.000 0.980 342 R CB -0.679 29.438 30.300 -0.305 0.000 0.875 342 R HN 0.408 nan 8.270 nan 0.000 0.445 343 V N 1.629 121.491 119.914 -0.085 0.000 2.307 343 V HA -0.210 3.914 4.120 0.008 0.000 0.245 343 V C 2.383 178.465 176.094 -0.021 0.000 1.045 343 V CA 1.527 63.797 62.300 -0.050 0.000 1.024 343 V CB -0.428 31.363 31.823 -0.053 0.000 0.651 343 V HN 0.235 nan 8.190 nan 0.000 0.449 344 L N -0.204 121.012 121.223 -0.011 0.000 2.083 344 L HA -0.195 4.150 4.340 0.008 0.000 0.209 344 L C 2.661 179.544 176.870 0.021 0.000 1.083 344 L CA 1.617 56.463 54.840 0.009 0.000 0.752 344 L CB -0.622 41.450 42.059 0.021 0.000 0.899 344 L HN 0.283 nan 8.230 nan 0.000 0.433 345 K N 0.095 120.515 120.400 0.032 0.000 2.063 345 K HA -0.170 4.154 4.320 0.008 0.000 0.208 345 K C 1.976 178.584 176.600 0.014 0.000 1.048 345 K CA 1.499 57.816 56.287 0.051 0.000 0.928 345 K CB -0.039 32.514 32.500 0.088 0.000 0.713 345 K HN 0.156 nan 8.250 nan 0.000 0.442 346 V N 1.467 121.381 119.914 0.001 0.000 2.548 346 V HA -0.189 3.936 4.120 0.008 0.000 0.249 346 V C 2.175 178.243 176.094 -0.043 0.000 1.055 346 V CA 1.219 63.503 62.300 -0.026 0.000 1.065 346 V CB -0.209 31.614 31.823 -0.001 0.000 0.681 346 V HN 0.272 nan 8.190 nan 0.000 0.462 347 L N 0.591 121.800 121.223 -0.023 0.000 2.395 347 L HA -0.044 4.300 4.340 0.008 0.000 0.218 347 L C 2.461 179.321 176.870 -0.016 0.000 1.130 347 L CA 1.235 56.062 54.840 -0.021 0.000 0.826 347 L CB -0.506 41.547 42.059 -0.010 0.000 0.941 347 L HN 0.491 nan 8.230 nan 0.000 0.451 348 S N -0.588 115.108 115.700 -0.007 0.000 2.522 348 S HA -0.070 4.405 4.470 0.008 0.000 0.227 348 S C 1.690 176.286 174.600 -0.008 0.000 0.986 348 S CA 0.655 58.857 58.200 0.004 0.000 0.929 348 S CB -0.419 62.796 63.200 0.025 0.000 0.769 348 S HN 0.338 nan 8.310 nan 0.000 0.529 349 V N -1.059 118.837 119.914 -0.030 0.000 3.506 349 V HA 0.312 4.437 4.120 0.008 0.000 0.263 349 V C 1.121 177.189 176.094 -0.044 0.000 1.203 349 V CA -0.224 62.050 62.300 -0.043 0.000 1.133 349 V CB -1.259 30.519 31.823 -0.075 0.000 0.802 349 V HN 0.661 nan 8.190 nan 0.000 0.459 350 C N 2.378 121.654 119.300 -0.040 0.000 2.452 350 C HA 0.616 5.081 4.460 0.008 0.000 0.379 350 C C 2.236 177.213 174.990 -0.021 0.000 1.275 350 C CA 0.387 59.384 59.018 -0.035 0.000 2.056 350 C CB 0.819 28.538 27.740 -0.036 0.000 2.506 350 C HN 0.722 nan 8.230 nan 0.000 0.560 351 S N 3.241 118.929 115.700 -0.019 0.000 2.558 351 S HA -0.015 4.460 4.470 0.008 0.000 0.217 351 S C 1.303 175.898 174.600 -0.007 0.000 0.975 351 S CA 0.937 59.130 58.200 -0.011 0.000 0.912 351 S CB -0.085 63.108 63.200 -0.011 0.000 0.776 351 S HN 0.824 nan 8.310 nan 0.000 0.526 352 S N 2.227 117.921 115.700 -0.009 0.000 2.427 352 S HA 0.143 4.618 4.470 0.008 0.000 0.224 352 S C 1.782 176.380 174.600 -0.003 0.000 1.047 352 S CA 0.182 58.379 58.200 -0.005 0.000 0.953 352 S CB -0.363 62.834 63.200 -0.006 0.000 0.824 352 S HN 0.578 nan 8.310 nan 0.000 0.502 353 N N 1.591 120.288 118.700 -0.005 0.000 2.270 353 N HA -0.063 4.682 4.740 0.008 0.000 0.181 353 N C 1.742 177.254 175.510 0.002 0.000 1.016 353 N CA 0.804 53.853 53.050 -0.002 0.000 0.870 353 N CB -0.095 38.389 38.487 -0.007 0.000 0.979 353 N HN 0.422 nan 8.380 nan 0.000 0.431 354 K N 1.568 121.969 120.400 0.002 0.000 2.002 354 K HA -0.078 4.247 4.320 0.008 0.000 0.209 354 K C -0.930 175.676 176.600 0.011 0.000 1.048 354 K CA 1.244 57.535 56.287 0.007 0.000 0.930 354 K CB -0.639 31.865 32.500 0.006 0.000 0.714 354 K HN 0.017 nan 8.250 nan 0.000 0.438 355 P HA -0.123 nan 4.420 nan 0.000 0.218 355 P C 0.849 178.155 177.300 0.011 0.000 1.148 355 P CA 1.813 64.919 63.100 0.010 0.000 0.822 355 P CB -0.078 31.627 31.700 0.008 0.000 0.784 356 A N -0.810 122.016 122.820 0.010 0.000 1.930 356 A HA -0.135 4.190 4.320 0.008 0.000 0.217 356 A C 2.200 179.792 177.584 0.015 0.000 1.175 356 A CA 1.234 53.278 52.037 0.011 0.000 0.627 356 A CB -1.526 17.479 19.000 0.010 0.000 0.815 356 A HN 0.119 nan 8.150 nan 0.000 0.443 357 I N -0.548 120.031 120.570 0.016 0.000 2.252 357 I HA -0.191 3.983 4.170 0.008 0.000 0.245 357 I C 2.313 178.443 176.117 0.022 0.000 1.102 357 I CA 0.947 62.260 61.300 0.020 0.000 1.385 357 I CB -0.224 37.789 38.000 0.022 0.000 1.064 357 I HN 0.141 nan 8.210 nan 0.000 0.414 358 V N 0.497 120.423 119.914 0.020 0.000 2.343 358 V HA -0.240 3.885 4.120 0.008 0.000 0.247 358 V C 2.464 178.568 176.094 0.016 0.000 1.051 358 V CA 1.668 63.980 62.300 0.019 0.000 1.036 358 V CB -0.612 31.222 31.823 0.018 0.000 0.654 358 V HN 0.388 nan 8.190 nan 0.000 0.451 359 E N 0.427 120.636 120.200 0.015 0.000 2.150 359 E HA -0.107 4.247 4.350 0.008 0.000 0.193 359 E C 2.200 178.809 176.600 0.014 0.000 0.985 359 E CA 1.379 57.787 56.400 0.013 0.000 0.814 359 E CB -0.482 29.225 29.700 0.012 0.000 0.752 359 E HN 0.588 nan 8.360 nan 0.000 0.466 360 A N -0.153 122.678 122.820 0.017 0.000 2.206 360 A HA 0.262 4.586 4.320 0.008 0.000 0.211 360 A C 1.553 179.150 177.584 0.021 0.000 1.158 360 A CA 1.065 53.113 52.037 0.020 0.000 0.761 360 A CB -0.209 18.805 19.000 0.023 0.000 0.801 360 A HN 0.254 nan 8.150 nan 0.000 0.473 361 G N -2.087 106.725 108.800 0.020 0.000 2.142 361 G HA2 -0.096 3.869 3.960 0.008 0.000 0.225 361 G HA3 -0.096 3.869 3.960 0.008 0.000 0.225 361 G C 1.037 175.955 174.900 0.029 0.000 1.015 361 G CA 0.419 45.531 45.100 0.020 0.000 0.716 361 G HN 1.188 nan 8.290 nan 0.000 0.508 362 G N -0.489 108.331 108.800 0.033 0.000 2.471 362 G HA2 0.094 4.059 3.960 0.008 0.000 0.219 362 G HA3 0.094 4.059 3.960 0.008 0.000 0.219 362 G C 1.569 176.497 174.900 0.046 0.000 1.125 362 G CA 1.756 46.882 45.100 0.043 0.000 0.775 362 G HN 0.521 nan 8.290 nan 0.000 0.548 363 M N 0.104 119.725 119.600 0.035 0.000 2.099 363 M HA 0.021 4.505 4.480 0.008 0.000 0.262 363 M C 2.609 178.927 176.300 0.030 0.000 1.067 363 M CA 1.499 56.819 55.300 0.033 0.000 1.124 363 M CB -0.167 32.447 32.600 0.024 0.000 1.353 363 M HN 0.182 nan 8.290 nan 0.000 0.410 364 Q N -0.803 119.011 119.800 0.023 0.000 2.172 364 Q HA 0.101 4.446 4.340 0.008 0.000 0.200 364 Q C 2.067 178.077 176.000 0.018 0.000 0.964 364 Q CA 1.684 57.494 55.803 0.012 0.000 0.855 364 Q CB -0.516 28.224 28.738 0.004 0.000 0.918 364 Q HN 0.603 nan 8.270 nan 0.000 0.444 365 A N 0.272 123.117 122.820 0.041 0.000 1.929 365 A HA -0.087 4.237 4.320 0.008 0.000 0.216 365 A C 1.965 179.630 177.584 0.136 0.000 1.176 365 A CA 0.945 53.025 52.037 0.072 0.000 0.628 365 A CB -0.546 18.506 19.000 0.088 0.000 0.816 365 A HN 0.325 nan 8.150 nan 0.000 0.444 366 L N -0.670 120.629 121.223 0.126 0.000 2.156 366 L HA -0.059 4.286 4.340 0.008 0.000 0.208 366 L C 2.730 179.681 176.870 0.135 0.000 1.095 366 L CA 0.836 55.775 54.840 0.165 0.000 0.770 366 L CB -0.551 41.571 42.059 0.104 0.000 0.914 366 L HN 0.478 nan 8.230 nan 0.000 0.439 367 G N -0.147 108.689 108.800 0.060 0.000 2.432 367 G HA2 -0.225 3.740 3.960 0.008 0.000 0.219 367 G HA3 -0.225 3.740 3.960 0.008 0.000 0.219 367 G C 1.464 176.345 174.900 -0.031 0.000 1.135 367 G CA 0.199 45.309 45.100 0.017 0.000 0.767 367 G HN 0.133 nan 8.290 nan 0.000 0.550 368 L N 0.336 121.500 121.223 -0.099 0.000 2.263 368 L HA -0.040 4.304 4.340 0.008 0.000 0.216 368 L C 1.712 178.337 176.870 -0.409 0.000 1.111 368 L CA 1.366 56.037 54.840 -0.282 0.000 0.773 368 L CB -0.619 41.188 42.059 -0.421 0.000 0.906 368 L HN 0.405 nan 8.230 nan 0.000 0.439 369 H N -3.307 115.772 119.070 0.014 0.000 2.592 369 H HA 0.173 4.733 4.556 0.008 0.000 0.279 369 H C 1.410 176.740 175.328 0.002 0.000 1.089 369 H CA -0.353 55.703 56.048 0.015 0.000 1.150 369 H CB 0.430 30.210 29.762 0.029 0.000 1.575 369 H HN -0.017 nan 8.280 nan 0.000 0.547 370 L N 0.913 122.172 121.223 0.060 0.000 2.465 370 L HA -0.027 4.318 4.340 0.008 0.000 0.224 370 L C 1.666 178.540 176.870 0.008 0.000 1.145 370 L CA 1.513 56.370 54.840 0.028 0.000 0.834 370 L CB -0.484 41.579 42.059 0.006 0.000 0.944 370 L HN 0.384 nan 8.230 nan 0.000 0.451 371 T N -5.180 109.378 114.554 0.007 0.000 3.228 371 T HA 0.145 4.500 4.350 0.008 0.000 0.278 371 T C 0.516 175.221 174.700 0.009 0.000 1.014 371 T CA -0.612 61.487 62.100 -0.002 0.000 0.904 371 T CB -0.188 68.672 68.868 -0.012 0.000 1.110 371 T HN 0.016 nan 8.240 nan 0.000 0.541 372 D N 3.110 123.529 120.400 0.033 0.000 2.414 372 D HA 0.121 4.766 4.640 0.008 0.000 0.242 372 D C -0.962 175.342 176.300 0.007 0.000 1.129 372 D CA -1.419 52.605 54.000 0.040 0.000 0.885 372 D CB 1.965 42.815 40.800 0.084 0.000 1.198 372 D HN 0.084 nan 8.370 nan 0.000 0.437 373 P HA -0.098 nan 4.420 nan 0.000 0.219 373 P C 0.509 177.786 177.300 -0.039 0.000 1.146 373 P CA 0.504 63.592 63.100 -0.021 0.000 0.808 373 P CB 0.181 31.869 31.700 -0.019 0.000 0.779 374 S N 0.346 116.019 115.700 -0.044 0.000 2.455 374 S HA 0.065 4.540 4.470 0.008 0.000 0.278 374 S C 1.316 175.872 174.600 -0.074 0.000 1.216 374 S CA -0.486 57.666 58.200 -0.080 0.000 1.055 374 S CB 0.283 63.422 63.200 -0.103 0.000 0.939 374 S HN -0.085 nan 8.310 nan 0.000 0.494 375 Q N 4.619 124.365 119.800 -0.089 0.000 2.123 375 Q HA -0.108 4.236 4.340 0.008 0.000 0.199 375 Q C 2.317 178.266 176.000 -0.085 0.000 0.966 375 Q CA 1.626 57.378 55.803 -0.085 0.000 0.845 375 Q CB -0.335 28.353 28.738 -0.084 0.000 0.907 375 Q HN 0.949 nan 8.270 nan 0.000 0.439 376 R N 0.045 120.484 120.500 -0.102 0.000 2.120 376 R HA -0.101 4.243 4.340 0.008 0.000 0.234 376 R C 2.120 178.480 176.300 0.101 0.000 1.123 376 R CA 1.137 57.217 56.100 -0.034 0.000 0.975 376 R CB -0.709 29.477 30.300 -0.189 0.000 0.866 376 R HN 0.129 nan 8.270 nan 0.000 0.446 377 L N 1.400 122.653 121.223 0.049 0.000 2.027 377 L HA -0.085 4.259 4.340 0.008 0.000 0.206 377 L C 2.261 179.164 176.870 0.053 0.000 1.074 377 L CA 1.397 56.303 54.840 0.110 0.000 0.745 377 L CB -0.317 41.772 42.059 0.050 0.000 0.898 377 L HN 0.046 nan 8.230 nan 0.000 0.433 378 V N -0.567 119.345 119.914 -0.003 0.000 2.295 378 V HA -0.308 3.817 4.120 0.008 0.000 0.246 378 V C 2.617 178.647 176.094 -0.107 0.000 1.049 378 V CA 1.875 64.155 62.300 -0.034 0.000 1.024 378 V CB -0.655 31.135 31.823 -0.055 0.000 0.648 378 V HN 0.529 nan 8.190 nan 0.000 0.447 379 Q N 0.416 120.101 119.800 -0.192 0.000 2.170 379 Q HA -0.160 4.185 4.340 0.008 0.000 0.203 379 Q C 1.869 177.636 176.000 -0.388 0.000 0.976 379 Q CA 2.064 57.584 55.803 -0.473 0.000 0.858 379 Q CB -0.552 27.807 28.738 -0.631 0.000 0.907 379 Q HN 0.767 nan 8.270 nan 0.000 0.433 380 N N -1.790 116.907 118.700 -0.006 0.000 2.216 380 N HA -0.086 4.658 4.740 0.008 0.000 0.183 380 N C 1.577 177.181 175.510 0.158 0.000 1.017 380 N CA 1.220 54.408 53.050 0.230 0.000 0.861 380 N CB -0.109 38.528 38.487 0.251 0.000 0.986 380 N HN 0.223 nan 8.380 nan 0.000 0.428 381 C N 0.378 119.724 119.300 0.077 0.000 2.429 381 C HA -0.026 4.439 4.460 0.008 0.000 0.277 381 C C 2.496 177.521 174.990 0.059 0.000 1.262 381 C CA 0.481 59.543 59.018 0.072 0.000 1.733 381 C CB -1.149 26.633 27.740 0.071 0.000 2.010 381 C HN 0.449 nan 8.230 nan 0.000 0.483 382 L N -0.854 120.363 121.223 -0.009 0.000 2.027 382 L HA -0.150 4.194 4.340 0.008 0.000 0.206 382 L C 2.748 179.653 176.870 0.058 0.000 1.074 382 L CA 1.467 56.286 54.840 -0.034 0.000 0.745 382 L CB -0.644 41.318 42.059 -0.161 0.000 0.898 382 L HN 0.481 nan 8.230 nan 0.000 0.433 383 W N 0.538 121.858 121.300 0.035 0.000 2.342 383 W HA -0.165 4.500 4.660 0.007 0.000 0.297 383 W C 2.661 179.195 176.519 0.025 0.000 1.213 383 W CA 1.603 58.966 57.345 0.030 0.000 1.251 383 W CB -1.293 28.188 29.460 0.035 0.000 1.136 383 W HN 0.187 nan 8.180 nan 0.000 0.526 384 T N 0.928 115.633 114.554 0.252 0.000 2.770 384 T HA -0.114 4.241 4.350 0.008 0.000 0.263 384 T C 2.134 176.898 174.700 0.108 0.000 1.039 384 T CA 1.198 63.387 62.100 0.149 0.000 1.142 384 T CB -0.633 68.305 68.868 0.118 0.000 0.868 384 T HN -0.022 nan 8.240 nan 0.000 0.435 385 L N 0.627 121.908 121.223 0.096 0.000 2.079 385 L HA -0.111 4.234 4.340 0.008 0.000 0.210 385 L C 2.828 179.741 176.870 0.072 0.000 1.081 385 L CA 1.357 56.240 54.840 0.071 0.000 0.752 385 L CB -0.443 41.649 42.059 0.055 0.000 0.896 385 L HN 0.154 nan 8.230 nan 0.000 0.433 386 R N 0.115 120.672 120.500 0.094 0.000 2.081 386 R HA -0.154 4.191 4.340 0.008 0.000 0.235 386 R C 2.140 178.487 176.300 0.079 0.000 1.131 386 R CA 1.571 57.726 56.100 0.092 0.000 0.960 386 R CB -0.085 30.292 30.300 0.129 0.000 0.856 386 R HN 0.401 nan 8.270 nan 0.000 0.436 387 N N 0.638 119.388 118.700 0.083 0.000 2.166 387 N HA -0.155 4.590 4.740 0.008 0.000 0.186 387 N C 1.697 177.232 175.510 0.041 0.000 1.019 387 N CA 1.172 54.254 53.050 0.053 0.000 0.856 387 N CB -0.107 38.406 38.487 0.044 0.000 0.993 387 N HN 0.303 nan 8.380 nan 0.000 0.426 388 L N 0.826 122.076 121.223 0.046 0.000 2.418 388 L HA 0.027 4.372 4.340 0.008 0.000 0.218 388 L C 2.248 179.140 176.870 0.037 0.000 1.125 388 L CA 0.327 55.189 54.840 0.037 0.000 0.835 388 L CB -0.352 41.730 42.059 0.038 0.000 0.953 388 L HN 0.155 nan 8.230 nan 0.000 0.454 389 S N 0.207 115.933 115.700 0.043 0.000 2.400 389 S HA -0.220 4.254 4.470 0.008 0.000 0.232 389 S C 1.569 176.194 174.600 0.041 0.000 1.025 389 S CA 1.403 59.628 58.200 0.042 0.000 0.993 389 S CB -0.519 62.710 63.200 0.048 0.000 0.808 389 S HN 0.619 nan 8.310 nan 0.000 0.478 390 D N 1.724 122.148 120.400 0.040 0.000 2.363 390 D HA 0.189 4.833 4.640 0.008 0.000 0.226 390 D C 1.068 177.387 176.300 0.032 0.000 1.020 390 D CA 0.778 54.801 54.000 0.040 0.000 0.892 390 D CB -0.210 40.614 40.800 0.039 0.000 0.900 390 D HN 0.598 nan 8.370 nan 0.000 0.531 391 A N -0.451 122.386 122.820 0.028 0.000 2.606 391 A HA 0.678 5.002 4.320 0.008 0.000 0.290 391 A C 1.216 178.812 177.584 0.021 0.000 1.174 391 A CA 0.071 52.121 52.037 0.022 0.000 0.958 391 A CB 0.418 19.429 19.000 0.019 0.000 1.194 391 A HN 0.237 nan 8.150 nan 0.000 0.526 392 A N -0.318 122.516 122.820 0.023 0.000 2.589 392 A HA 0.341 4.665 4.320 0.008 0.000 0.283 392 A C 1.515 179.108 177.584 0.015 0.000 1.187 392 A CA 0.908 52.957 52.037 0.019 0.000 0.957 392 A CB -0.734 18.279 19.000 0.021 0.000 1.175 392 A HN 0.546 nan 8.150 nan 0.000 0.532 393 T N -4.099 110.465 114.554 0.017 0.000 3.113 393 T HA 0.192 4.546 4.350 0.008 0.000 0.256 393 T C 1.287 175.991 174.700 0.006 0.000 1.131 393 T CA 1.291 63.400 62.100 0.014 0.000 1.074 393 T CB -0.185 68.695 68.868 0.021 0.000 0.944 393 T HN 0.400 nan 8.240 nan 0.000 0.516 394 K N 0.066 120.470 120.400 0.007 0.000 2.437 394 K HA 0.451 4.775 4.320 0.008 0.000 0.205 394 K C 0.600 177.198 176.600 -0.003 0.000 1.026 394 K CA -0.320 55.969 56.287 0.004 0.000 1.153 394 K CB -0.031 32.475 32.500 0.010 0.000 0.863 394 K HN 0.503 nan 8.250 nan 0.000 0.502 395 Q N 0.721 120.517 119.800 -0.007 0.000 2.214 395 Q HA 0.438 4.782 4.340 0.008 0.000 0.251 395 Q C -0.718 175.270 176.000 -0.021 0.000 0.936 395 Q CA -0.256 55.542 55.803 -0.008 0.000 0.894 395 Q CB 1.172 29.909 28.738 -0.001 0.000 1.252 395 Q HN 0.550 nan 8.270 nan 0.000 0.448 396 E N 0.366 120.554 120.200 -0.020 0.000 2.393 396 E HA 0.575 4.930 4.350 0.008 0.000 0.265 396 E C -0.506 176.080 176.600 -0.023 0.000 0.941 396 E CA -0.752 55.631 56.400 -0.029 0.000 0.801 396 E CB 1.421 31.103 29.700 -0.029 0.000 1.313 396 E HN 0.821 nan 8.360 nan 0.000 0.435 397 G N 1.148 109.931 108.800 -0.027 0.000 2.246 397 G HA2 -0.239 3.725 3.960 0.008 0.000 0.273 397 G HA3 -0.239 3.725 3.960 0.008 0.000 0.273 397 G C 0.453 175.339 174.900 -0.023 0.000 1.055 397 G CA 0.299 45.385 45.100 -0.024 0.000 0.851 397 G HN 0.279 nan 8.290 nan 0.000 0.500 398 M N -0.569 119.014 119.600 -0.028 0.000 2.383 398 M HA 0.212 4.696 4.480 0.008 0.000 0.247 398 M C 2.203 178.487 176.300 -0.027 0.000 1.117 398 M CA 1.070 56.355 55.300 -0.024 0.000 0.995 398 M CB -0.602 31.983 32.600 -0.024 0.000 1.480 398 M HN 0.586 nan 8.290 nan 0.000 0.485 399 E N 1.426 121.608 120.200 -0.031 0.000 2.058 399 E HA -0.104 4.251 4.350 0.008 0.000 0.194 399 E C 2.129 178.713 176.600 -0.027 0.000 0.997 399 E CA 1.846 58.227 56.400 -0.032 0.000 0.801 399 E CB -1.379 28.302 29.700 -0.032 0.000 0.746 399 E HN 0.605 nan 8.360 nan 0.000 0.450 400 G N 0.162 108.946 108.800 -0.026 0.000 2.418 400 G HA2 -0.037 3.927 3.960 0.008 0.000 0.217 400 G HA3 -0.037 3.927 3.960 0.008 0.000 0.217 400 G C 1.779 176.665 174.900 -0.024 0.000 1.158 400 G CA 1.262 46.346 45.100 -0.026 0.000 0.771 400 G HN 0.530 nan 8.290 nan 0.000 0.545 401 L N 0.465 121.676 121.223 -0.020 0.000 2.017 401 L HA 0.103 4.448 4.340 0.008 0.000 0.208 401 L C 2.655 179.517 176.870 -0.013 0.000 1.073 401 L CA 1.436 56.268 54.840 -0.014 0.000 0.745 401 L CB -0.478 41.578 42.059 -0.006 0.000 0.894 401 L HN 0.211 nan 8.230 nan 0.000 0.432 402 L N -0.580 120.634 121.223 -0.015 0.000 2.093 402 L HA -0.086 4.259 4.340 0.008 0.000 0.208 402 L C 2.569 179.428 176.870 -0.018 0.000 1.085 402 L CA 1.174 56.005 54.840 -0.015 0.000 0.755 402 L CB -1.450 40.598 42.059 -0.019 0.000 0.904 402 L HN 0.463 nan 8.230 nan 0.000 0.435 403 G N -0.684 108.103 108.800 -0.022 0.000 2.418 403 G HA2 -0.235 3.729 3.960 0.008 0.000 0.217 403 G HA3 -0.235 3.729 3.960 0.008 0.000 0.217 403 G C 1.594 176.481 174.900 -0.023 0.000 1.158 403 G CA 1.357 46.443 45.100 -0.023 0.000 0.771 403 G HN 0.289 nan 8.290 nan 0.000 0.545 404 T N 1.247 115.789 114.554 -0.021 0.000 2.857 404 T HA 0.045 4.399 4.350 0.008 0.000 0.266 404 T C 2.436 177.124 174.700 -0.020 0.000 1.048 404 T CA 0.598 62.685 62.100 -0.021 0.000 1.139 404 T CB -0.138 68.718 68.868 -0.021 0.000 0.874 404 T HN 0.145 nan 8.240 nan 0.000 0.455 405 L N 0.754 121.967 121.223 -0.017 0.000 2.083 405 L HA -0.084 4.261 4.340 0.008 0.000 0.209 405 L C 2.599 179.457 176.870 -0.019 0.000 1.083 405 L CA 0.843 55.674 54.840 -0.016 0.000 0.752 405 L CB -0.671 41.382 42.059 -0.009 0.000 0.899 405 L HN 0.144 nan 8.230 nan 0.000 0.433 406 V N -0.636 119.265 119.914 -0.021 0.000 2.427 406 V HA -0.279 3.846 4.120 0.008 0.000 0.248 406 V C 2.407 178.484 176.094 -0.029 0.000 1.051 406 V CA 1.594 63.879 62.300 -0.025 0.000 1.048 406 V CB -0.452 31.354 31.823 -0.027 0.000 0.666 406 V HN 0.493 nan 8.190 nan 0.000 0.456 407 Q N -0.617 119.166 119.800 -0.027 0.000 2.224 407 Q HA -0.078 4.266 4.340 0.008 0.000 0.203 407 Q C 2.181 178.165 176.000 -0.027 0.000 0.970 407 Q CA 1.172 56.959 55.803 -0.027 0.000 0.865 407 Q CB -0.105 28.618 28.738 -0.025 0.000 0.922 407 Q HN 0.550 nan 8.270 nan 0.000 0.445 408 L N 0.188 121.395 121.223 -0.027 0.000 2.395 408 L HA -0.091 4.254 4.340 0.008 0.000 0.218 408 L C 1.944 178.797 176.870 -0.029 0.000 1.130 408 L CA 0.265 55.087 54.840 -0.030 0.000 0.826 408 L CB -0.128 41.911 42.059 -0.033 0.000 0.941 408 L HN 0.250 nan 8.230 nan 0.000 0.451 409 L N -0.203 121.004 121.223 -0.026 0.000 2.261 409 L HA -0.134 4.211 4.340 0.008 0.000 0.216 409 L C 2.051 178.908 176.870 -0.022 0.000 1.114 409 L CA 1.104 55.931 54.840 -0.023 0.000 0.777 409 L CB -0.638 41.407 42.059 -0.024 0.000 0.910 409 L HN 0.320 nan 8.230 nan 0.000 0.440 410 G N -1.268 107.518 108.800 -0.024 0.000 3.383 410 G HA2 0.015 3.980 3.960 0.008 0.000 0.251 410 G HA3 0.015 3.980 3.960 0.008 0.000 0.251 410 G C 0.513 175.401 174.900 -0.019 0.000 1.203 410 G CA -0.118 44.970 45.100 -0.020 0.000 0.852 410 G HN 0.164 nan 8.290 nan 0.000 0.531 411 S N -0.442 115.244 115.700 -0.023 0.000 2.593 411 S HA 0.128 4.603 4.470 0.008 0.000 0.269 411 S C 0.798 175.386 174.600 -0.020 0.000 1.334 411 S CA -0.416 57.769 58.200 -0.025 0.000 1.015 411 S CB 0.909 64.088 63.200 -0.035 0.000 0.912 411 S HN 0.209 nan 8.310 nan 0.000 0.541 412 D N 0.889 121.277 120.400 -0.020 0.000 2.339 412 D HA 0.094 4.739 4.640 0.008 0.000 0.217 412 D C -0.290 176.000 176.300 -0.017 0.000 1.050 412 D CA 0.266 54.257 54.000 -0.015 0.000 0.856 412 D CB 0.108 40.900 40.800 -0.012 0.000 0.922 412 D HN 0.526 nan 8.370 nan 0.000 0.518 413 D N 1.475 121.860 120.400 -0.026 0.000 2.313 413 D HA 0.023 4.667 4.640 0.008 0.000 0.239 413 D C 1.338 177.621 176.300 -0.028 0.000 1.142 413 D CA -0.354 53.627 54.000 -0.031 0.000 0.847 413 D CB 1.145 41.914 40.800 -0.050 0.000 1.082 413 D HN 0.008 nan 8.370 nan 0.000 0.480 414 I N 4.312 124.875 120.570 -0.012 0.000 2.394 414 I HA -0.231 3.944 4.170 0.008 0.000 0.251 414 I C 1.341 177.459 176.117 0.001 0.000 1.136 414 I CA 0.648 61.948 61.300 -0.000 0.000 1.425 414 I CB 0.164 38.173 38.000 0.015 0.000 1.079 414 I HN 0.373 nan 8.210 nan 0.000 0.425 415 N N 0.365 119.059 118.700 -0.011 0.000 2.270 415 N HA -0.112 4.633 4.740 0.008 0.000 0.181 415 N C 1.841 177.290 175.510 -0.102 0.000 1.016 415 N CA 1.107 54.140 53.050 -0.028 0.000 0.870 415 N CB -0.016 38.439 38.487 -0.053 0.000 0.979 415 N HN 0.253 nan 8.380 nan 0.000 0.431 416 V N 1.073 120.921 119.914 -0.110 0.000 2.270 416 V HA -0.151 3.974 4.120 0.008 0.000 0.245 416 V C 2.515 178.571 176.094 -0.065 0.000 1.043 416 V CA 1.113 63.345 62.300 -0.113 0.000 1.014 416 V CB -0.500 31.265 31.823 -0.096 0.000 0.645 416 V HN 0.019 nan 8.190 nan 0.000 0.447 417 V N 0.021 119.911 119.914 -0.040 0.000 2.332 417 V HA -0.297 3.827 4.120 0.008 0.000 0.248 417 V C 2.589 178.678 176.094 -0.010 0.000 1.055 417 V CA 2.679 64.966 62.300 -0.021 0.000 1.038 417 V CB -1.120 30.696 31.823 -0.011 0.000 0.651 417 V HN 0.622 nan 8.190 nan 0.000 0.450 418 T N -1.149 113.405 114.554 -0.000 0.000 2.684 418 T HA -0.242 4.112 4.350 0.008 0.000 0.267 418 T C 1.932 176.648 174.700 0.026 0.000 1.036 418 T CA 2.043 64.157 62.100 0.023 0.000 1.148 418 T CB -0.496 68.402 68.868 0.050 0.000 0.863 418 T HN 0.542 nan 8.240 nan 0.000 0.436 419 C N 1.400 120.705 119.300 0.008 0.000 2.457 419 C HA 0.233 4.697 4.460 0.008 0.000 0.278 419 C C 3.228 178.222 174.990 0.006 0.000 1.309 419 C CA 0.089 59.117 59.018 0.017 0.000 1.735 419 C CB -1.388 26.332 27.740 -0.034 0.000 1.992 419 C HN 0.658 nan 8.230 nan 0.000 0.493 420 A N 0.695 123.507 122.820 -0.013 0.000 1.940 420 A HA -0.001 4.324 4.320 0.008 0.000 0.219 420 A C 2.336 179.919 177.584 -0.001 0.000 1.176 420 A CA 2.174 54.204 52.037 -0.010 0.000 0.631 420 A CB -0.810 18.178 19.000 -0.020 0.000 0.814 420 A HN 0.571 nan 8.150 nan 0.000 0.446 421 A N -0.618 122.203 122.820 0.001 0.000 1.873 421 A HA 0.183 4.507 4.320 0.008 0.000 0.215 421 A C 2.424 180.011 177.584 0.006 0.000 1.186 421 A CA 1.800 53.838 52.037 0.001 0.000 0.616 421 A CB -1.357 17.644 19.000 0.001 0.000 0.823 421 A HN 0.724 nan 8.150 nan 0.000 0.442 422 G N -0.090 108.722 108.800 0.020 0.000 2.422 422 G HA2 -0.152 3.813 3.960 0.008 0.000 0.218 422 G HA3 -0.152 3.813 3.960 0.008 0.000 0.218 422 G C 1.511 176.431 174.900 0.034 0.000 1.146 422 G CA 1.113 46.231 45.100 0.030 0.000 0.769 422 G HN 0.464 nan 8.290 nan 0.000 0.547 423 I N 0.171 120.761 120.570 0.033 0.000 2.202 423 I HA -0.083 4.092 4.170 0.008 0.000 0.242 423 I C 2.652 178.789 176.117 0.033 0.000 1.091 423 I CA 0.630 61.951 61.300 0.036 0.000 1.368 423 I CB -0.150 37.868 38.000 0.030 0.000 1.058 423 I HN 0.099 nan 8.210 nan 0.000 0.410 424 L N -0.247 120.990 121.223 0.022 0.000 2.131 424 L HA -0.209 4.135 4.340 0.008 0.000 0.210 424 L C 2.698 179.588 176.870 0.035 0.000 1.092 424 L CA 1.286 56.140 54.840 0.023 0.000 0.759 424 L CB -0.463 41.601 42.059 0.009 0.000 0.903 424 L HN 0.266 nan 8.230 nan 0.000 0.435 425 S N -0.079 115.629 115.700 0.013 0.000 2.383 425 S HA -0.137 4.338 4.470 0.008 0.000 0.227 425 S C 1.828 176.491 174.600 0.105 0.000 1.026 425 S CA 1.346 59.534 58.200 -0.019 0.000 0.981 425 S CB -0.115 63.043 63.200 -0.070 0.000 0.818 425 S HN 0.432 nan 8.310 nan 0.000 0.472 426 N N 1.268 120.025 118.700 0.095 0.000 2.250 426 N HA 0.141 4.886 4.740 0.008 0.000 0.181 426 N C 1.601 177.175 175.510 0.107 0.000 1.017 426 N CA 0.855 53.974 53.050 0.114 0.000 0.866 426 N CB -0.445 38.088 38.487 0.076 0.000 0.985 426 N HN 0.406 nan 8.380 nan 0.000 0.429 427 L N 0.635 121.907 121.223 0.083 0.000 2.395 427 L HA -0.008 4.336 4.340 0.008 0.000 0.218 427 L C 1.759 178.674 176.870 0.074 0.000 1.130 427 L CA 0.979 55.855 54.840 0.061 0.000 0.826 427 L CB -0.413 41.668 42.059 0.037 0.000 0.941 427 L HN 0.268 nan 8.230 nan 0.000 0.451 428 T N -4.602 110.032 114.554 0.134 0.000 3.057 428 T HA -0.028 4.327 4.350 0.008 0.000 0.254 428 T C 0.977 175.776 174.700 0.166 0.000 1.094 428 T CA -0.324 61.876 62.100 0.167 0.000 1.088 428 T CB -0.591 68.408 68.868 0.218 0.000 0.934 428 T HN 0.231 nan 8.240 nan 0.000 0.497 429 C N 3.350 122.755 119.300 0.175 0.000 2.616 429 C HA 0.221 4.686 4.460 0.008 0.000 0.402 429 C C 1.133 176.069 174.990 -0.090 0.000 1.436 429 C CA -0.022 58.927 59.018 -0.114 0.000 1.521 429 C CB -2.667 25.098 27.740 0.042 0.000 2.413 429 C HN 0.850 nan 8.230 nan 0.000 0.617 430 N N 2.737 121.352 118.700 -0.142 0.000 2.708 430 N HA -0.218 4.527 4.740 0.008 0.000 0.249 430 N C -0.657 174.879 175.510 0.043 0.000 1.097 430 N CA 0.853 53.883 53.050 -0.034 0.000 0.710 430 N CB -0.825 37.644 38.487 -0.030 0.000 1.032 430 N HN 0.839 nan 8.380 nan 0.000 0.551 431 N N 0.426 119.159 118.700 0.055 0.000 2.716 431 N HA 0.093 4.838 4.740 0.008 0.000 0.253 431 N C 0.587 176.125 175.510 0.046 0.000 1.170 431 N CA -0.602 52.474 53.050 0.042 0.000 0.807 431 N CB 0.338 38.822 38.487 -0.004 0.000 1.183 431 N HN 0.302 nan 8.380 nan 0.000 0.524 432 Y N 2.307 122.637 120.300 0.050 0.000 2.207 432 Y HA -0.095 4.459 4.550 0.008 0.000 0.287 432 Y C 2.144 178.060 175.900 0.027 0.000 1.156 432 Y CA 1.949 60.097 58.100 0.080 0.000 1.182 432 Y CB -0.583 37.927 38.460 0.084 0.000 0.979 432 Y HN 0.296 nan 8.280 nan 0.000 0.521 433 K N 1.477 121.398 120.400 -0.798 0.000 2.032 433 K HA -0.228 4.097 4.320 0.008 0.000 0.209 433 K C 1.716 178.174 176.600 -0.235 0.000 1.048 433 K CA 1.960 57.920 56.287 -0.545 0.000 0.927 433 K CB -1.661 30.504 32.500 -0.558 0.000 0.712 433 K HN 0.785 nan 8.250 nan 0.000 0.441 434 N N -0.150 118.449 118.700 -0.167 0.000 2.223 434 N HA -0.122 4.622 4.740 0.008 0.000 0.185 434 N C 2.025 177.505 175.510 -0.050 0.000 1.016 434 N CA 1.186 54.187 53.050 -0.081 0.000 0.863 434 N CB -0.020 38.442 38.487 -0.040 0.000 0.983 434 N HN 0.477 nan 8.380 nan 0.000 0.429 435 K N 0.437 120.822 120.400 -0.026 0.000 2.057 435 K HA -0.021 4.304 4.320 0.008 0.000 0.207 435 K C 1.994 178.478 176.600 -0.192 0.000 1.049 435 K CA 0.964 57.246 56.287 -0.008 0.000 0.931 435 K CB 0.016 32.638 32.500 0.203 0.000 0.714 435 K HN 0.181 nan 8.250 nan 0.000 0.440 436 M N 0.182 119.634 119.600 -0.246 0.000 2.132 436 M HA -0.105 4.380 4.480 0.008 0.000 0.263 436 M C 2.211 178.426 176.300 -0.141 0.000 1.065 436 M CA 1.619 56.766 55.300 -0.255 0.000 1.122 436 M CB -0.511 31.992 32.600 -0.160 0.000 1.365 436 M HN 0.239 nan 8.290 nan 0.000 0.411 437 M N -0.761 118.777 119.600 -0.104 0.000 2.229 437 M HA -0.142 4.343 4.480 0.008 0.000 0.264 437 M C 2.161 178.429 176.300 -0.054 0.000 1.063 437 M CA 1.033 56.291 55.300 -0.070 0.000 1.114 437 M CB -0.299 32.263 32.600 -0.063 0.000 1.387 437 M HN 0.049 nan 8.290 nan 0.000 0.420 438 V N -0.624 119.261 119.914 -0.049 0.000 2.323 438 V HA -0.248 3.877 4.120 0.008 0.000 0.244 438 V C 2.305 178.384 176.094 -0.025 0.000 1.041 438 V CA 1.497 63.781 62.300 -0.026 0.000 1.025 438 V CB -0.350 31.471 31.823 -0.002 0.000 0.656 438 V HN 0.565 nan 8.190 nan 0.000 0.451 439 C N -0.529 118.750 119.300 -0.034 0.000 2.413 439 C HA -0.209 4.256 4.460 0.008 0.000 0.276 439 C C 2.792 177.768 174.990 -0.024 0.000 1.248 439 C CA 1.034 60.040 59.018 -0.020 0.000 1.742 439 C CB -1.077 26.646 27.740 -0.029 0.000 2.017 439 C HN 0.589 nan 8.230 nan 0.000 0.481 440 Q N 0.251 120.027 119.800 -0.039 0.000 2.224 440 Q HA -0.101 4.244 4.340 0.008 0.000 0.203 440 Q C 1.729 177.715 176.000 -0.024 0.000 0.970 440 Q CA 1.451 57.237 55.803 -0.030 0.000 0.865 440 Q CB -0.006 28.710 28.738 -0.036 0.000 0.922 440 Q HN 0.767 nan 8.270 nan 0.000 0.445 441 V N -3.692 116.206 119.914 -0.028 0.000 3.170 441 V HA 0.494 4.618 4.120 0.008 0.000 0.354 441 V C 0.711 176.785 176.094 -0.034 0.000 1.350 441 V CA 0.288 62.572 62.300 -0.028 0.000 1.244 441 V CB -0.333 31.473 31.823 -0.028 0.000 1.222 441 V HN 0.301 nan 8.190 nan 0.000 0.478 442 G N -0.051 108.728 108.800 -0.034 0.000 2.182 442 G HA2 -0.197 3.768 3.960 0.008 0.000 0.248 442 G HA3 -0.197 3.768 3.960 0.008 0.000 0.248 442 G C 0.884 175.741 174.900 -0.072 0.000 1.042 442 G CA 0.274 45.339 45.100 -0.057 0.000 0.775 442 G HN 1.203 nan 8.290 nan 0.000 0.501 443 G N -0.132 108.642 108.800 -0.043 0.000 2.422 443 G HA2 0.023 3.988 3.960 0.008 0.000 0.218 443 G HA3 0.023 3.988 3.960 0.008 0.000 0.218 443 G C 1.718 176.595 174.900 -0.037 0.000 1.140 443 G CA 1.305 46.384 45.100 -0.035 0.000 0.775 443 G HN 0.481 nan 8.290 nan 0.000 0.545 444 I N 0.947 121.500 120.570 -0.029 0.000 2.163 444 I HA -0.116 4.059 4.170 0.008 0.000 0.240 444 I C 2.499 178.568 176.117 -0.081 0.000 1.081 444 I CA 1.334 62.627 61.300 -0.012 0.000 1.353 444 I CB -1.141 36.888 38.000 0.048 0.000 1.054 444 I HN 0.350 nan 8.210 nan 0.000 0.407 445 E N 1.127 121.182 120.200 -0.241 0.000 2.049 445 E HA -0.256 4.099 4.350 0.008 0.000 0.198 445 E C 2.270 178.739 176.600 -0.218 0.000 1.007 445 E CA 1.815 57.933 56.400 -0.470 0.000 0.809 445 E CB 0.027 29.228 29.700 -0.832 0.000 0.749 445 E HN 0.434 nan 8.360 nan 0.000 0.450 446 A N 0.758 123.487 122.820 -0.151 0.000 1.908 446 A HA -0.166 4.159 4.320 0.008 0.000 0.218 446 A C 2.210 179.763 177.584 -0.052 0.000 1.181 446 A CA 1.273 53.258 52.037 -0.086 0.000 0.627 446 A CB -0.604 18.356 19.000 -0.066 0.000 0.818 446 A HN 0.323 nan 8.150 nan 0.000 0.445 447 L N -0.885 120.312 121.223 -0.043 0.000 2.109 447 L HA -0.110 4.235 4.340 0.008 0.000 0.207 447 L C 2.520 179.385 176.870 -0.007 0.000 1.086 447 L CA 0.725 55.553 54.840 -0.020 0.000 0.760 447 L CB -0.342 41.710 42.059 -0.012 0.000 0.910 447 L HN 0.240 nan 8.230 nan 0.000 0.437 448 V N -0.160 119.750 119.914 -0.008 0.000 2.295 448 V HA -0.281 3.844 4.120 0.008 0.000 0.246 448 V C 2.570 178.680 176.094 0.028 0.000 1.049 448 V CA 1.707 64.020 62.300 0.021 0.000 1.024 448 V CB -0.580 31.269 31.823 0.042 0.000 0.648 448 V HN 0.405 nan 8.190 nan 0.000 0.447 449 R N -0.519 119.985 120.500 0.007 0.000 2.127 449 R HA -0.156 4.189 4.340 0.008 0.000 0.238 449 R C 2.335 178.645 176.300 0.017 0.000 1.134 449 R CA 1.862 57.973 56.100 0.019 0.000 0.975 449 R CB -0.553 29.744 30.300 -0.005 0.000 0.865 449 R HN 0.487 nan 8.270 nan 0.000 0.447 450 T N 0.283 114.840 114.554 0.006 0.000 2.851 450 T HA -0.041 4.314 4.350 0.008 0.000 0.262 450 T C 1.915 176.625 174.700 0.016 0.000 1.043 450 T CA 0.928 63.032 62.100 0.007 0.000 1.140 450 T CB 0.029 68.897 68.868 -0.001 0.000 0.872 450 T HN -0.012 nan 8.240 nan 0.000 0.446 451 V N 1.622 121.548 119.914 0.020 0.000 2.407 451 V HA -0.108 4.016 4.120 0.008 0.000 0.248 451 V C 2.391 178.505 176.094 0.033 0.000 1.055 451 V CA 1.427 63.742 62.300 0.026 0.000 1.049 451 V CB -0.614 31.227 31.823 0.029 0.000 0.662 451 V HN 0.427 nan 8.190 nan 0.000 0.455 452 L N -0.540 120.707 121.223 0.039 0.000 2.056 452 L HA -0.126 4.218 4.340 0.008 0.000 0.207 452 L C 2.686 179.576 176.870 0.033 0.000 1.078 452 L CA 1.665 56.531 54.840 0.044 0.000 0.749 452 L CB -0.510 41.586 42.059 0.062 0.000 0.901 452 L HN 0.209 nan 8.230 nan 0.000 0.433 453 R N 0.138 120.655 120.500 0.028 0.000 2.115 453 R HA -0.107 4.238 4.340 0.008 0.000 0.230 453 R C 2.263 178.575 176.300 0.019 0.000 1.111 453 R CA 1.165 57.277 56.100 0.021 0.000 0.976 453 R CB -0.131 30.178 30.300 0.016 0.000 0.870 453 R HN 0.326 nan 8.270 nan 0.000 0.445 454 A N 0.143 122.976 122.820 0.021 0.000 1.968 454 A HA 0.163 4.488 4.320 0.008 0.000 0.217 454 A C 1.452 179.050 177.584 0.023 0.000 1.169 454 A CA 1.311 53.361 52.037 0.021 0.000 0.638 454 A CB -0.758 18.255 19.000 0.021 0.000 0.812 454 A HN 0.623 nan 8.150 nan 0.000 0.446 455 G N 0.488 109.303 108.800 0.024 0.000 2.561 455 G HA2 -0.390 3.575 3.960 0.008 0.000 0.289 455 G HA3 -0.390 3.575 3.960 0.008 0.000 0.289 455 G C 0.319 175.235 174.900 0.027 0.000 1.169 455 G CA 0.868 45.982 45.100 0.024 0.000 0.980 455 G HN 1.021 nan 8.290 nan 0.000 0.550 456 D N 1.159 121.576 120.400 0.027 0.000 2.336 456 D HA 0.149 4.794 4.640 0.008 0.000 0.228 456 D C 1.033 177.358 176.300 0.041 0.000 1.120 456 D CA -0.045 53.976 54.000 0.034 0.000 0.839 456 D CB -0.279 40.540 40.800 0.033 0.000 0.932 456 D HN 0.585 nan 8.370 nan 0.000 0.509 457 R N 1.191 121.711 120.500 0.034 0.000 2.351 457 R HA 0.146 4.491 4.340 0.008 0.000 0.321 457 R C 0.707 177.027 176.300 0.034 0.000 1.182 457 R CA -0.024 56.095 56.100 0.032 0.000 1.011 457 R CB 0.351 30.668 30.300 0.028 0.000 1.048 457 R HN 0.270 nan 8.270 nan 0.000 0.490 458 E N 1.321 121.544 120.200 0.037 0.000 2.274 458 E HA -0.168 4.186 4.350 0.008 0.000 0.194 458 E C 0.500 177.117 176.600 0.027 0.000 0.996 458 E CA 0.617 57.040 56.400 0.038 0.000 0.840 458 E CB 0.206 29.935 29.700 0.048 0.000 0.772 458 E HN 0.525 nan 8.360 nan 0.000 0.491 459 D N 0.834 121.248 120.400 0.023 0.000 2.182 459 D HA -0.123 4.521 4.640 0.008 0.000 0.201 459 D C 1.845 178.163 176.300 0.031 0.000 0.986 459 D CA 0.979 54.995 54.000 0.028 0.000 0.847 459 D CB 0.052 40.872 40.800 0.033 0.000 0.942 459 D HN 0.278 nan 8.370 nan 0.000 0.467 460 I N 0.236 120.823 120.570 0.028 0.000 2.810 460 I HA -0.126 4.049 4.170 0.008 0.000 0.262 460 I C 2.461 178.589 176.117 0.019 0.000 1.131 460 I CA 0.936 62.250 61.300 0.023 0.000 1.453 460 I CB -0.165 37.847 38.000 0.021 0.000 1.161 460 I HN -0.017 nan 8.210 nan 0.000 0.444 461 T N -1.598 112.969 114.554 0.023 0.000 2.812 461 T HA -0.171 4.183 4.350 0.008 0.000 0.264 461 T C 1.704 176.416 174.700 0.019 0.000 1.042 461 T CA 1.169 63.282 62.100 0.022 0.000 1.140 461 T CB -0.391 68.494 68.868 0.027 0.000 0.870 461 T HN 0.331 nan 8.240 nan 0.000 0.445 462 E N 2.149 122.365 120.200 0.026 0.000 2.049 462 E HA -0.146 4.209 4.350 0.008 0.000 0.198 462 E C -0.371 176.233 176.600 0.007 0.000 1.007 462 E CA 1.710 58.126 56.400 0.026 0.000 0.809 462 E CB -0.673 29.049 29.700 0.037 0.000 0.749 462 E HN 0.461 nan 8.360 nan 0.000 0.450 463 P HA -0.078 nan 4.420 nan 0.000 0.217 463 P C 1.060 178.336 177.300 -0.039 0.000 1.151 463 P CA 1.740 64.829 63.100 -0.017 0.000 0.828 463 P CB -0.056 31.645 31.700 0.002 0.000 0.788 464 A N 0.420 123.228 122.820 -0.020 0.000 1.898 464 A HA -0.126 4.198 4.320 0.008 0.000 0.216 464 A C 2.260 179.825 177.584 -0.032 0.000 1.181 464 A CA 1.333 53.356 52.037 -0.022 0.000 0.620 464 A CB -1.382 17.615 19.000 -0.005 0.000 0.819 464 A HN 0.014 nan 8.150 nan 0.000 0.442 465 I N -0.030 120.527 120.570 -0.021 0.000 2.286 465 I HA -0.247 3.927 4.170 0.008 0.000 0.248 465 I C 2.555 178.638 176.117 -0.057 0.000 1.115 465 I CA 1.019 62.308 61.300 -0.017 0.000 1.392 465 I CB -1.655 36.349 38.000 0.006 0.000 1.065 465 I HN 0.363 nan 8.210 nan 0.000 0.418 466 C N 0.858 120.096 119.300 -0.102 0.000 2.425 466 C HA -0.087 4.378 4.460 0.008 0.000 0.277 466 C C 3.147 177.820 174.990 -0.528 0.000 1.280 466 C CA 0.886 59.758 59.018 -0.243 0.000 1.744 466 C CB -1.200 26.414 27.740 -0.209 0.000 1.989 466 C HN 0.591 nan 8.230 nan 0.000 0.491 467 A N 0.232 122.860 122.820 -0.320 0.000 1.898 467 A HA -0.047 4.277 4.320 0.008 0.000 0.216 467 A C 2.101 179.636 177.584 -0.082 0.000 1.181 467 A CA 1.264 53.163 52.037 -0.230 0.000 0.620 467 A CB -0.548 18.398 19.000 -0.090 0.000 0.819 467 A HN 0.596 nan 8.150 nan 0.000 0.442 468 L N -0.984 120.211 121.223 -0.047 0.000 2.083 468 L HA -0.172 4.172 4.340 0.008 0.000 0.209 468 L C 2.773 179.668 176.870 0.041 0.000 1.083 468 L CA 1.643 56.491 54.840 0.013 0.000 0.752 468 L CB -0.468 41.599 42.059 0.014 0.000 0.899 468 L HN 0.473 nan 8.230 nan 0.000 0.433 469 R N -0.361 120.154 120.500 0.024 0.000 2.091 469 R HA -0.197 4.148 4.340 0.008 0.000 0.238 469 R C 2.240 178.659 176.300 0.198 0.000 1.136 469 R CA 1.837 57.994 56.100 0.095 0.000 0.959 469 R CB -0.327 30.038 30.300 0.108 0.000 0.856 469 R HN 0.516 nan 8.270 nan 0.000 0.437 470 H N -0.266 118.830 119.070 0.043 0.000 2.357 470 H HA -0.075 4.485 4.556 0.008 0.000 0.301 470 H C 2.094 177.463 175.328 0.068 0.000 1.082 470 H CA 1.270 57.350 56.048 0.052 0.000 1.342 470 H CB 0.037 29.837 29.762 0.064 0.000 1.389 470 H HN 0.199 nan 8.280 nan 0.000 0.511 471 L N 0.780 122.138 121.223 0.226 0.000 2.465 471 L HA -0.058 4.286 4.340 0.008 0.000 0.224 471 L C 1.652 178.614 176.870 0.153 0.000 1.145 471 L CA 0.959 55.953 54.840 0.255 0.000 0.834 471 L CB -0.033 42.141 42.059 0.191 0.000 0.944 471 L HN 0.346 nan 8.230 nan 0.000 0.451 472 T N -4.139 110.444 114.554 0.048 0.000 3.214 472 T HA 0.246 4.600 4.350 0.008 0.000 0.264 472 T C 0.341 174.985 174.700 -0.094 0.000 1.012 472 T CA -0.087 62.003 62.100 -0.017 0.000 0.901 472 T CB -0.111 68.769 68.868 0.020 0.000 1.070 472 T HN 0.205 nan 8.240 nan 0.000 0.561 473 S N 0.630 116.219 115.700 -0.185 0.000 2.533 473 S HA 0.591 5.066 4.470 0.008 0.000 0.271 473 S C -0.392 174.048 174.600 -0.267 0.000 1.143 473 S CA -1.169 56.923 58.200 -0.179 0.000 0.891 473 S CB 1.538 64.699 63.200 -0.065 0.000 1.105 473 S HN 0.343 nan 8.310 nan 0.000 0.468 474 R N 0.887 121.266 120.500 -0.201 0.000 3.332 474 R HA -0.183 4.162 4.340 0.008 0.000 0.263 474 R C -0.681 175.588 176.300 -0.052 0.000 1.053 474 R CA 1.560 57.593 56.100 -0.111 0.000 0.705 474 R CB -2.829 27.440 30.300 -0.052 0.000 1.166 474 R HN 1.111 nan 8.270 nan 0.000 0.427 475 H N -4.779 114.315 119.070 0.039 0.000 2.981 475 H HA 0.240 4.801 4.556 0.008 0.000 0.327 475 H C 0.529 175.882 175.328 0.041 0.000 1.342 475 H CA -0.763 55.321 56.048 0.060 0.000 1.123 475 H CB 0.299 30.136 29.762 0.124 0.000 1.851 475 H HN -0.099 nan 8.280 nan 0.000 0.531 476 Q N -0.668 119.314 119.800 0.303 0.000 2.133 476 Q HA -0.143 4.202 4.340 0.008 0.000 0.208 476 Q C 0.426 176.558 176.000 0.221 0.000 0.991 476 Q CA 2.046 57.957 55.803 0.180 0.000 0.867 476 Q CB 0.117 28.917 28.738 0.104 0.000 0.911 476 Q HN 0.570 nan 8.270 nan 0.000 0.417 477 E N -1.194 119.218 120.200 0.353 0.000 2.394 477 E HA 0.118 4.473 4.350 0.008 0.000 0.191 477 E C 0.872 177.694 176.600 0.370 0.000 1.044 477 E CA 0.231 56.777 56.400 0.243 0.000 0.939 477 E CB 0.623 30.361 29.700 0.063 0.000 1.089 477 E HN 0.327 nan 8.360 nan 0.000 0.456 478 A N 0.990 123.981 122.820 0.285 0.000 1.969 478 A HA -0.169 4.155 4.320 0.008 0.000 0.218 478 A C 2.108 179.704 177.584 0.020 0.000 1.169 478 A CA 1.107 53.129 52.037 -0.024 0.000 0.635 478 A CB -0.141 18.660 19.000 -0.331 0.000 0.810 478 A HN 0.199 nan 8.150 nan 0.000 0.445 479 E N -0.506 119.711 120.200 0.030 0.000 2.077 479 E HA -0.235 4.120 4.350 0.008 0.000 0.193 479 E C 2.412 179.027 176.600 0.025 0.000 0.989 479 E CA 1.891 58.299 56.400 0.013 0.000 0.800 479 E CB -0.250 29.455 29.700 0.008 0.000 0.746 479 E HN 0.567 nan 8.360 nan 0.000 0.452 480 M N 0.680 120.310 119.600 0.050 0.000 2.159 480 M HA 0.055 4.540 4.480 0.008 0.000 0.263 480 M C 2.506 178.838 176.300 0.053 0.000 1.063 480 M CA 2.145 57.472 55.300 0.044 0.000 1.110 480 M CB -1.572 31.059 32.600 0.051 0.000 1.374 480 M HN 0.333 nan 8.290 nan 0.000 0.411 481 A N -0.475 122.395 122.820 0.084 0.000 1.898 481 A HA -0.186 4.139 4.320 0.008 0.000 0.216 481 A C 2.034 179.651 177.584 0.054 0.000 1.181 481 A CA 1.752 53.842 52.037 0.088 0.000 0.620 481 A CB -0.769 18.313 19.000 0.136 0.000 0.819 481 A HN 0.793 nan 8.150 nan 0.000 0.442 482 Q N -0.161 119.657 119.800 0.030 0.000 2.135 482 Q HA -0.146 4.199 4.340 0.008 0.000 0.204 482 Q C 1.883 177.881 176.000 -0.003 0.000 0.981 482 Q CA 1.520 57.327 55.803 0.007 0.000 0.856 482 Q CB -0.187 28.543 28.738 -0.014 0.000 0.902 482 Q HN 0.643 nan 8.270 nan 0.000 0.425 483 N N -0.048 118.648 118.700 -0.008 0.000 2.216 483 N HA -0.081 4.664 4.740 0.008 0.000 0.183 483 N C 1.614 177.105 175.510 -0.031 0.000 1.017 483 N CA 1.150 54.185 53.050 -0.025 0.000 0.861 483 N CB -0.023 38.447 38.487 -0.029 0.000 0.986 483 N HN 0.210 nan 8.380 nan 0.000 0.428 484 A N 0.857 123.678 122.820 0.001 0.000 1.969 484 A HA -0.031 4.293 4.320 0.008 0.000 0.218 484 A C 2.462 180.085 177.584 0.066 0.000 1.169 484 A CA 0.818 52.870 52.037 0.026 0.000 0.635 484 A CB -0.537 18.532 19.000 0.115 0.000 0.810 484 A HN 0.078 nan 8.150 nan 0.000 0.445 485 V N 0.065 120.013 119.914 0.056 0.000 2.407 485 V HA -0.267 3.858 4.120 0.008 0.000 0.248 485 V C 2.617 178.730 176.094 0.033 0.000 1.055 485 V CA 2.316 64.651 62.300 0.058 0.000 1.049 485 V CB -0.811 31.040 31.823 0.046 0.000 0.662 485 V HN 0.659 nan 8.190 nan 0.000 0.455 486 R N -0.153 120.347 120.500 0.000 0.000 2.066 486 R HA -0.085 4.259 4.340 0.008 0.000 0.232 486 R C 2.274 178.538 176.300 -0.060 0.000 1.131 486 R CA 1.525 57.621 56.100 -0.008 0.000 0.955 486 R CB -0.256 30.035 30.300 -0.015 0.000 0.851 486 R HN 0.440 nan 8.270 nan 0.000 0.432 487 L N -0.575 120.546 121.223 -0.170 0.000 2.275 487 L HA -0.120 4.225 4.340 0.008 0.000 0.215 487 L C 1.076 177.587 176.870 -0.599 0.000 1.119 487 L CA 1.151 55.791 54.840 -0.333 0.000 0.790 487 L CB -0.185 41.632 42.059 -0.403 0.000 0.919 487 L HN 0.334 nan 8.230 nan 0.000 0.443 488 H N -1.862 117.027 119.070 -0.302 0.000 2.537 488 H HA 0.132 4.693 4.556 0.008 0.000 0.295 488 H C -0.560 174.545 175.328 -0.372 0.000 1.054 488 H CA -0.155 55.596 56.048 -0.494 0.000 1.156 488 H CB -0.000 29.617 29.762 -0.241 0.000 1.468 488 H HN 0.159 nan 8.280 nan 0.000 0.551 489 Y N -2.244 118.100 120.300 0.073 0.000 4.234 489 Y HA -0.254 4.301 4.550 0.008 0.000 0.239 489 Y C 1.752 177.683 175.900 0.051 0.000 1.197 489 Y CA -0.104 58.027 58.100 0.051 0.000 2.027 489 Y CB -1.550 36.941 38.460 0.052 0.000 1.619 489 Y HN 0.505 nan 8.280 nan 0.000 0.704 490 G N -0.189 108.704 108.800 0.156 0.000 2.744 490 G HA2 0.112 4.077 3.960 0.008 0.000 0.211 490 G HA3 0.112 4.077 3.960 0.008 0.000 0.211 490 G C 1.269 176.220 174.900 0.086 0.000 1.146 490 G CA 0.535 45.700 45.100 0.109 0.000 0.787 490 G HN 0.378 nan 8.290 nan 0.000 0.534 491 L N 0.582 121.855 121.223 0.084 0.000 2.044 491 L HA 0.018 4.363 4.340 0.008 0.000 0.205 491 L C -0.004 176.905 176.870 0.064 0.000 1.075 491 L CA 1.009 55.889 54.840 0.065 0.000 0.747 491 L CB -1.092 41.002 42.059 0.059 0.000 0.903 491 L HN 0.096 nan 8.230 nan 0.000 0.435 492 P HA -0.185 nan 4.420 nan 0.000 0.215 492 P C 1.956 179.292 177.300 0.061 0.000 1.157 492 P CA 1.230 64.366 63.100 0.060 0.000 0.868 492 P CB 0.032 31.764 31.700 0.053 0.000 0.788 493 V N -0.542 119.410 119.914 0.064 0.000 2.515 493 V HA -0.167 3.957 4.120 0.008 0.000 0.250 493 V C 2.151 178.276 176.094 0.051 0.000 1.058 493 V CA 1.684 64.019 62.300 0.057 0.000 1.064 493 V CB -0.782 31.078 31.823 0.061 0.000 0.675 493 V HN -0.098 nan 8.190 nan 0.000 0.461 494 V N -0.536 119.407 119.914 0.050 0.000 2.379 494 V HA -0.148 3.976 4.120 0.008 0.000 0.245 494 V C 2.443 178.554 176.094 0.028 0.000 1.044 494 V CA 1.930 64.253 62.300 0.038 0.000 1.036 494 V CB -0.030 31.817 31.823 0.039 0.000 0.664 494 V HN 0.442 nan 8.190 nan 0.000 0.453 495 V N 1.049 120.983 119.914 0.034 0.000 2.427 495 V HA -0.258 3.867 4.120 0.008 0.000 0.248 495 V C 2.481 178.590 176.094 0.025 0.000 1.051 495 V CA 2.240 64.550 62.300 0.018 0.000 1.048 495 V CB -0.786 31.061 31.823 0.040 0.000 0.666 495 V HN 0.749 nan 8.190 nan 0.000 0.456 496 K N 0.876 121.325 120.400 0.083 0.000 2.147 496 K HA -0.126 4.198 4.320 0.008 0.000 0.205 496 K C 1.833 178.488 176.600 0.091 0.000 1.049 496 K CA 1.807 58.181 56.287 0.144 0.000 0.936 496 K CB -0.543 32.017 32.500 0.101 0.000 0.722 496 K HN 0.407 nan 8.250 nan 0.000 0.446 497 L N 0.334 121.578 121.223 0.035 0.000 2.275 497 L HA -0.058 4.286 4.340 0.008 0.000 0.215 497 L C 1.883 178.734 176.870 -0.031 0.000 1.119 497 L CA 0.066 54.913 54.840 0.013 0.000 0.790 497 L CB -0.314 41.755 42.059 0.017 0.000 0.919 497 L HN 0.188 nan 8.230 nan 0.000 0.443 498 L N -1.064 120.107 121.223 -0.086 0.000 2.191 498 L HA -0.089 4.256 4.340 0.008 0.000 0.212 498 L C 1.475 178.208 176.870 -0.228 0.000 1.103 498 L CA 1.289 56.025 54.840 -0.173 0.000 0.769 498 L CB -0.740 41.169 42.059 -0.250 0.000 0.908 498 L HN 0.216 nan 8.230 nan 0.000 0.438 499 H N -1.012 118.027 119.070 -0.052 0.000 2.509 499 H HA 0.299 4.859 4.556 0.008 0.000 0.359 499 H C -1.907 173.358 175.328 -0.105 0.000 1.253 499 H CA -2.295 53.711 56.048 -0.070 0.000 1.373 499 H CB 0.066 29.802 29.762 -0.044 0.000 1.555 499 H HN -0.121 nan 8.280 nan 0.000 0.586 500 P HA 0.044 nan 4.420 nan 0.000 0.272 500 P C -1.826 175.447 177.300 -0.045 0.000 1.230 500 P CA -0.965 62.090 63.100 -0.076 0.000 0.788 500 P CB 0.138 31.787 31.700 -0.084 0.000 0.949 501 P HA 0.143 nan 4.420 nan 0.000 0.249 501 P C -0.485 176.676 177.300 -0.232 0.000 1.583 501 P CA -0.029 62.980 63.100 -0.151 0.000 0.988 501 P CB 0.078 31.726 31.700 -0.087 0.000 1.530 502 S N 0.667 116.272 115.700 -0.158 0.000 2.558 502 S HA 0.009 4.484 4.470 0.008 0.000 0.291 502 S C 0.303 174.711 174.600 -0.321 0.000 1.306 502 S CA 0.408 58.527 58.200 -0.135 0.000 1.056 502 S CB -0.068 63.074 63.200 -0.097 0.000 0.836 502 S HN 0.366 nan 8.310 nan 0.000 0.504 503 H N -0.156 118.829 119.070 -0.142 0.000 2.570 503 H HA 0.285 4.846 4.556 0.008 0.000 0.342 503 H C 0.304 175.553 175.328 -0.132 0.000 1.245 503 H CA -0.701 55.242 56.048 -0.175 0.000 1.318 503 H CB 0.381 30.120 29.762 -0.038 0.000 1.694 503 H HN 0.764 nan 8.280 nan 0.000 0.592 504 W N 0.392 121.794 121.300 0.170 0.000 2.374 504 W HA -0.048 4.617 4.660 0.008 0.000 0.288 504 W C -0.824 175.754 176.519 0.099 0.000 1.218 504 W CA 0.515 57.925 57.345 0.108 0.000 1.245 504 W CB -1.090 28.432 29.460 0.102 0.000 1.126 504 W HN 0.601 nan 8.180 nan 0.000 0.545 505 P HA -0.209 nan 4.420 nan 0.000 0.215 505 P C 1.690 179.086 177.300 0.159 0.000 1.153 505 P CA 1.309 64.533 63.100 0.208 0.000 0.853 505 P CB -0.232 31.559 31.700 0.151 0.000 0.788 506 L N -1.101 120.202 121.223 0.133 0.000 2.156 506 L HA -0.019 4.326 4.340 0.008 0.000 0.208 506 L C 2.096 179.016 176.870 0.082 0.000 1.095 506 L CA 1.540 56.434 54.840 0.089 0.000 0.770 506 L CB -1.018 41.083 42.059 0.071 0.000 0.914 506 L HN -0.138 nan 8.230 nan 0.000 0.439 507 I N -0.456 120.169 120.570 0.093 0.000 2.315 507 I HA -0.264 3.911 4.170 0.008 0.000 0.248 507 I C 2.510 178.724 176.117 0.162 0.000 1.117 507 I CA 1.247 62.601 61.300 0.090 0.000 1.404 507 I CB -0.397 37.618 38.000 0.025 0.000 1.071 507 I HN 0.315 nan 8.210 nan 0.000 0.419 508 K N 1.567 122.099 120.400 0.219 0.000 2.057 508 K HA -0.183 4.142 4.320 0.008 0.000 0.207 508 K C 2.116 178.793 176.600 0.129 0.000 1.049 508 K CA 1.631 58.031 56.287 0.188 0.000 0.931 508 K CB -0.032 32.581 32.500 0.189 0.000 0.714 508 K HN 0.292 nan 8.250 nan 0.000 0.440 509 A N 0.264 123.150 122.820 0.111 0.000 1.970 509 A HA -0.036 4.289 4.320 0.008 0.000 0.216 509 A C 2.067 179.691 177.584 0.067 0.000 1.170 509 A CA 1.572 53.660 52.037 0.084 0.000 0.645 509 A CB -0.538 18.502 19.000 0.066 0.000 0.816 509 A HN 0.385 nan 8.150 nan 0.000 0.447 510 T N -0.304 114.287 114.554 0.062 0.000 2.812 510 T HA -0.091 4.263 4.350 0.008 0.000 0.264 510 T C 1.886 176.615 174.700 0.048 0.000 1.042 510 T CA 1.424 63.551 62.100 0.045 0.000 1.140 510 T CB -0.376 68.510 68.868 0.030 0.000 0.870 510 T HN 0.117 nan 8.240 nan 0.000 0.445 511 V N 1.621 121.572 119.914 0.062 0.000 2.282 511 V HA -0.190 3.934 4.120 0.008 0.000 0.249 511 V C 2.846 178.978 176.094 0.064 0.000 1.057 511 V CA 2.153 64.492 62.300 0.066 0.000 1.032 511 V CB -1.342 30.535 31.823 0.090 0.000 0.645 511 V HN 0.617 nan 8.190 nan 0.000 0.447 512 G N -0.494 108.349 108.800 0.071 0.000 2.418 512 G HA2 -0.261 3.704 3.960 0.008 0.000 0.217 512 G HA3 -0.261 3.704 3.960 0.008 0.000 0.217 512 G C 1.564 176.501 174.900 0.062 0.000 1.158 512 G CA 1.136 46.278 45.100 0.070 0.000 0.771 512 G HN 0.450 nan 8.290 nan 0.000 0.545 513 L N 0.727 121.984 121.223 0.056 0.000 2.046 513 L HA 0.102 4.447 4.340 0.008 0.000 0.208 513 L C 2.632 179.527 176.870 0.042 0.000 1.077 513 L CA 1.335 56.204 54.840 0.048 0.000 0.747 513 L CB -0.455 41.627 42.059 0.039 0.000 0.896 513 L HN 0.263 nan 8.230 nan 0.000 0.432 514 I N -0.656 119.939 120.570 0.042 0.000 2.286 514 I HA -0.290 3.885 4.170 0.008 0.000 0.248 514 I C 2.725 178.868 176.117 0.043 0.000 1.115 514 I CA 1.332 62.656 61.300 0.041 0.000 1.392 514 I CB -0.370 37.654 38.000 0.040 0.000 1.065 514 I HN 0.315 nan 8.210 nan 0.000 0.418 515 R N 1.066 121.592 120.500 0.044 0.000 2.091 515 R HA -0.197 4.147 4.340 0.008 0.000 0.238 515 R C 2.093 178.410 176.300 0.029 0.000 1.136 515 R CA 1.882 58.005 56.100 0.039 0.000 0.959 515 R CB -0.147 30.179 30.300 0.043 0.000 0.856 515 R HN 0.342 nan 8.270 nan 0.000 0.437 516 N N 0.742 119.459 118.700 0.028 0.000 2.142 516 N HA -0.132 4.613 4.740 0.008 0.000 0.186 516 N C 1.861 177.374 175.510 0.006 0.000 1.023 516 N CA 1.197 54.255 53.050 0.014 0.000 0.852 516 N CB -0.278 38.220 38.487 0.018 0.000 0.998 516 N HN 0.248 nan 8.380 nan 0.000 0.424 517 L N 0.524 121.755 121.223 0.014 0.000 2.191 517 L HA -0.067 4.277 4.340 0.008 0.000 0.212 517 L C 2.110 178.974 176.870 -0.010 0.000 1.103 517 L CA 0.884 55.727 54.840 0.004 0.000 0.769 517 L CB -0.403 41.666 42.059 0.017 0.000 0.908 517 L HN 0.116 nan 8.230 nan 0.000 0.438 518 A N -0.269 122.566 122.820 0.025 0.000 2.168 518 A HA -0.011 4.314 4.320 0.008 0.000 0.215 518 A C 2.136 179.753 177.584 0.055 0.000 1.152 518 A CA 0.645 52.729 52.037 0.078 0.000 0.716 518 A CB -0.466 18.607 19.000 0.122 0.000 0.794 518 A HN 0.388 nan 8.150 nan 0.000 0.465 519 L N -0.851 120.371 121.223 -0.002 0.000 2.456 519 L HA -0.073 4.272 4.340 0.008 0.000 0.224 519 L C 1.183 178.004 176.870 -0.082 0.000 1.148 519 L CA 0.082 54.910 54.840 -0.020 0.000 0.825 519 L CB -0.430 41.614 42.059 -0.024 0.000 0.937 519 L HN 0.571 nan 8.230 nan 0.000 0.450 520 C N 0.606 119.814 119.300 -0.153 0.000 2.264 520 C HA 0.369 4.834 4.460 0.008 0.000 0.324 520 C C -0.892 173.848 174.990 -0.417 0.000 1.267 520 C CA -1.907 56.996 59.018 -0.192 0.000 1.618 520 C CB 0.851 28.519 27.740 -0.119 0.000 2.278 520 C HN 0.058 nan 8.230 nan 0.000 0.499 521 P HA -0.099 nan 4.420 nan 0.000 0.217 521 P C 1.440 178.551 177.300 -0.316 0.000 1.148 521 P CA 2.171 64.968 63.100 -0.505 0.000 0.828 521 P CB 0.069 31.694 31.700 -0.125 0.000 0.783 522 A N -0.931 121.782 122.820 -0.177 0.000 2.121 522 A HA -0.159 4.166 4.320 0.008 0.000 0.218 522 A C 1.827 179.370 177.584 -0.068 0.000 1.154 522 A CA 1.514 53.501 52.037 -0.083 0.000 0.679 522 A CB -1.421 17.545 19.000 -0.056 0.000 0.795 522 A HN 0.279 nan 8.150 nan 0.000 0.458 523 N N -1.678 116.948 118.700 -0.124 0.000 2.392 523 N HA 0.026 4.771 4.740 0.008 0.000 0.177 523 N C 1.260 176.785 175.510 0.026 0.000 1.066 523 N CA 0.258 53.277 53.050 -0.052 0.000 0.895 523 N CB -0.193 38.261 38.487 -0.056 0.000 0.988 523 N HN 0.695 nan 8.380 nan 0.000 0.457 524 H N 0.843 119.925 119.070 0.020 0.000 2.289 524 H HA -0.158 4.403 4.556 0.008 0.000 0.296 524 H C 2.227 177.579 175.328 0.041 0.000 1.091 524 H CA 1.369 57.433 56.048 0.026 0.000 1.274 524 H CB 0.074 29.849 29.762 0.022 0.000 1.364 524 H HN 0.274 nan 8.280 nan 0.000 0.490 525 A N 1.171 124.099 122.820 0.180 0.000 1.845 525 A HA -0.104 4.221 4.320 0.008 0.000 0.215 525 A C -0.146 177.489 177.584 0.084 0.000 1.195 525 A CA 1.463 53.575 52.037 0.125 0.000 0.616 525 A CB -1.385 17.680 19.000 0.108 0.000 0.832 525 A HN 0.331 nan 8.150 nan 0.000 0.443 526 P HA -0.163 nan 4.420 nan 0.000 0.216 526 P C 1.558 178.894 177.300 0.059 0.000 1.150 526 P CA 1.051 64.183 63.100 0.054 0.000 0.843 526 P CB -0.244 31.483 31.700 0.046 0.000 0.787 527 L N -0.756 120.509 121.223 0.069 0.000 2.083 527 L HA -0.121 4.223 4.340 0.008 0.000 0.209 527 L C 3.085 179.994 176.870 0.066 0.000 1.083 527 L CA 1.361 56.242 54.840 0.068 0.000 0.752 527 L CB -0.644 41.463 42.059 0.080 0.000 0.899 527 L HN -0.081 nan 8.230 nan 0.000 0.433 528 R N 0.498 121.041 120.500 0.072 0.000 2.073 528 R HA -0.215 4.129 4.340 0.008 0.000 0.234 528 R C 2.089 178.418 176.300 0.049 0.000 1.134 528 R CA 1.773 57.910 56.100 0.061 0.000 0.952 528 R CB -0.125 30.214 30.300 0.066 0.000 0.850 528 R HN 0.352 nan 8.270 nan 0.000 0.433 529 E N -0.390 119.837 120.200 0.046 0.000 2.153 529 E HA -0.168 4.187 4.350 0.008 0.000 0.194 529 E C 1.853 178.477 176.600 0.040 0.000 0.988 529 E CA 0.886 57.307 56.400 0.035 0.000 0.811 529 E CB 0.215 29.933 29.700 0.031 0.000 0.746 529 E HN 0.341 nan 8.360 nan 0.000 0.466 530 Q N -1.050 118.780 119.800 0.049 0.000 2.451 530 Q HA 0.042 4.387 4.340 0.008 0.000 0.206 530 Q C 1.088 177.135 176.000 0.078 0.000 0.947 530 Q CA 0.894 56.731 55.803 0.058 0.000 0.937 530 Q CB 1.121 29.895 28.738 0.059 0.000 1.025 530 Q HN 0.401 nan 8.270 nan 0.000 0.511 531 G N 0.043 108.886 108.800 0.071 0.000 2.130 531 G HA2 -0.293 3.672 3.960 0.008 0.000 0.216 531 G HA3 -0.293 3.672 3.960 0.008 0.000 0.216 531 G C 0.956 175.900 174.900 0.074 0.000 0.999 531 G CA 0.567 45.718 45.100 0.086 0.000 0.686 531 G HN 0.447 nan 8.290 nan 0.000 0.515 532 A N -0.138 122.712 122.820 0.050 0.000 1.908 532 A HA 0.121 4.446 4.320 0.008 0.000 0.218 532 A C 2.378 179.979 177.584 0.029 0.000 1.181 532 A CA 1.922 53.974 52.037 0.024 0.000 0.627 532 A CB -0.299 18.722 19.000 0.034 0.000 0.818 532 A HN 0.802 nan 8.150 nan 0.000 0.445 533 I N 0.259 120.855 120.570 0.045 0.000 2.163 533 I HA -0.139 4.036 4.170 0.008 0.000 0.240 533 I C -0.369 175.778 176.117 0.049 0.000 1.081 533 I CA 1.383 62.713 61.300 0.050 0.000 1.353 533 I CB -1.187 36.845 38.000 0.053 0.000 1.054 533 I HN 0.248 nan 8.210 nan 0.000 0.407 534 P HA -0.191 nan 4.420 nan 0.000 0.218 534 P C 1.416 178.745 177.300 0.049 0.000 1.148 534 P CA 1.545 64.674 63.100 0.049 0.000 0.822 534 P CB -0.097 31.637 31.700 0.057 0.000 0.784 535 R N 0.205 120.727 120.500 0.037 0.000 2.093 535 R HA 0.073 4.418 4.340 0.008 0.000 0.224 535 R C 2.490 178.789 176.300 -0.002 0.000 1.101 535 R CA 1.008 57.105 56.100 -0.004 0.000 0.979 535 R CB -1.618 28.586 30.300 -0.160 0.000 0.877 535 R HN 0.114 nan 8.270 nan 0.000 0.441 536 L N -0.364 120.866 121.223 0.013 0.000 2.042 536 L HA -0.168 4.176 4.340 0.008 0.000 0.210 536 L C 2.227 179.136 176.870 0.066 0.000 1.076 536 L CA 1.224 56.091 54.840 0.046 0.000 0.749 536 L CB -0.487 41.606 42.059 0.057 0.000 0.893 536 L HN 0.027 nan 8.230 nan 0.000 0.432 537 V N -0.426 119.522 119.914 0.057 0.000 2.407 537 V HA -0.325 3.800 4.120 0.008 0.000 0.248 537 V C 2.435 178.551 176.094 0.036 0.000 1.055 537 V CA 1.953 64.277 62.300 0.041 0.000 1.049 537 V CB -0.492 31.343 31.823 0.020 0.000 0.662 537 V HN 0.548 nan 8.190 nan 0.000 0.455 538 Q N -0.464 119.364 119.800 0.046 0.000 2.167 538 Q HA -0.139 4.205 4.340 0.008 0.000 0.202 538 Q C 2.166 178.218 176.000 0.088 0.000 0.970 538 Q CA 1.445 57.282 55.803 0.056 0.000 0.855 538 Q CB -0.051 28.721 28.738 0.057 0.000 0.911 538 Q HN 0.612 nan 8.270 nan 0.000 0.438 539 L N 0.388 121.675 121.223 0.107 0.000 2.240 539 L HA -0.105 4.239 4.340 0.008 0.000 0.211 539 L C 2.358 179.331 176.870 0.172 0.000 1.106 539 L CA 0.350 55.302 54.840 0.188 0.000 0.793 539 L CB -0.246 41.938 42.059 0.208 0.000 0.927 539 L HN 0.345 nan 8.230 nan 0.000 0.446 540 L N -0.555 120.737 121.223 0.114 0.000 2.072 540 L HA -0.145 4.200 4.340 0.008 0.000 0.205 540 L C 2.475 179.400 176.870 0.092 0.000 1.079 540 L CA 1.108 56.002 54.840 0.090 0.000 0.752 540 L CB 0.028 42.128 42.059 0.068 0.000 0.906 540 L HN 0.045 nan 8.230 nan 0.000 0.436 541 V N 0.074 120.034 119.914 0.075 0.000 2.343 541 V HA -0.290 3.835 4.120 0.008 0.000 0.247 541 V C 2.645 178.800 176.094 0.101 0.000 1.051 541 V CA 1.991 64.341 62.300 0.083 0.000 1.036 541 V CB -0.655 31.195 31.823 0.046 0.000 0.654 541 V HN 0.459 nan 8.190 nan 0.000 0.451 542 R N 0.080 120.647 120.500 0.112 0.000 2.075 542 R HA -0.084 4.261 4.340 0.008 0.000 0.232 542 R C 2.198 178.550 176.300 0.087 0.000 1.126 542 R CA 1.579 57.753 56.100 0.123 0.000 0.963 542 R CB -0.445 29.978 30.300 0.205 0.000 0.858 542 R HN 0.499 nan 8.270 nan 0.000 0.435 543 A N -0.977 121.886 122.820 0.073 0.000 2.016 543 A HA -0.120 4.205 4.320 0.008 0.000 0.217 543 A C 1.815 179.412 177.584 0.022 0.000 1.162 543 A CA 1.357 53.377 52.037 -0.030 0.000 0.662 543 A CB -0.526 18.427 19.000 -0.077 0.000 0.812 543 A HN 0.486 nan 8.150 nan 0.000 0.450 544 H N -0.155 118.899 119.070 -0.026 0.000 2.372 544 H HA 0.039 4.600 4.556 0.008 0.000 0.301 544 H C 2.005 177.319 175.328 -0.022 0.000 1.065 544 H CA 1.948 57.982 56.048 -0.022 0.000 1.364 544 H CB -0.182 29.576 29.762 -0.008 0.000 1.406 544 H HN 0.516 nan 8.280 nan 0.000 0.521 545 Q N -0.357 119.381 119.800 -0.102 0.000 2.170 545 Q HA -0.146 4.199 4.340 0.008 0.000 0.203 545 Q C 1.668 177.596 176.000 -0.121 0.000 0.976 545 Q CA 1.643 57.358 55.803 -0.146 0.000 0.858 545 Q CB 0.025 28.735 28.738 -0.046 0.000 0.907 545 Q HN 0.560 nan 8.270 nan 0.000 0.433 546 D N -0.559 119.793 120.400 -0.081 0.000 2.117 546 D HA -0.107 4.537 4.640 0.008 0.000 0.198 546 D C 1.439 177.680 176.300 -0.098 0.000 0.982 546 D CA 1.268 55.222 54.000 -0.076 0.000 0.828 546 D CB 0.226 40.979 40.800 -0.078 0.000 0.967 546 D HN 0.090 nan 8.370 nan 0.000 0.464 547 T N 0.359 114.845 114.554 -0.113 0.000 3.007 547 T HA -0.101 4.253 4.350 0.008 0.000 0.270 547 T C 1.503 176.135 174.700 -0.114 0.000 1.107 547 T CA 0.693 62.733 62.100 -0.100 0.000 1.118 547 T CB 0.035 68.874 68.868 -0.049 0.000 0.889 547 T HN 0.245 nan 8.240 nan 0.000 0.506 548 Q N 0.794 120.500 119.800 -0.158 0.000 2.240 548 Q HA 0.253 4.598 4.340 0.008 0.000 0.194 548 Q C 1.876 177.822 176.000 -0.089 0.000 0.982 548 Q CA 0.493 56.217 55.803 -0.131 0.000 0.842 548 Q CB -0.604 28.031 28.738 -0.172 0.000 0.941 548 Q HN 0.515 nan 8.270 nan 0.000 0.516 561 V N 3.056 123.033 119.914 0.104 0.000 2.334 561 V HA 0.469 4.593 4.120 0.008 0.000 0.281 561 V C 0.542 176.740 176.094 0.172 0.000 1.016 561 V CA -0.640 61.715 62.300 0.090 0.000 0.832 561 V CB 1.360 33.169 31.823 -0.022 0.000 0.999 561 V HN 0.799 nan 8.190 nan 0.000 0.439 562 E N 3.758 124.090 120.200 0.219 0.000 2.868 562 E HA -0.245 4.110 4.350 0.008 0.000 0.278 562 E C 1.204 177.928 176.600 0.207 0.000 1.009 562 E CA 1.064 57.617 56.400 0.253 0.000 0.856 562 E CB -1.203 28.766 29.700 0.448 0.000 1.428 562 E HN 1.514 nan 8.360 nan 0.000 0.423 563 G N -2.147 106.754 108.800 0.169 0.000 2.241 563 G HA2 -0.308 3.656 3.960 0.008 0.000 0.244 563 G HA3 -0.308 3.656 3.960 0.008 0.000 0.244 563 G C 0.213 175.284 174.900 0.285 0.000 0.998 563 G CA 0.098 45.272 45.100 0.124 0.000 0.621 563 G HN 0.568 nan 8.290 nan 0.000 0.519 564 V N 1.167 121.253 119.914 0.287 0.000 2.513 564 V HA 0.836 4.960 4.120 0.008 0.000 0.299 564 V C 0.888 177.019 176.094 0.062 0.000 1.035 564 V CA -0.135 62.289 62.300 0.207 0.000 0.889 564 V CB 1.388 33.291 31.823 0.134 0.000 0.988 564 V HN 0.897 nan 8.190 nan 0.000 0.440 565 R N 3.166 123.637 120.500 -0.049 0.000 2.438 565 R HA 0.388 4.733 4.340 0.008 0.000 0.287 565 R C 0.541 176.699 176.300 -0.236 0.000 1.077 565 R CA -0.238 55.693 56.100 -0.281 0.000 1.034 565 R CB -0.127 29.952 30.300 -0.367 0.000 0.993 565 R HN 0.750 nan 8.270 nan 0.000 0.459 566 M N 1.088 120.523 119.600 -0.275 0.000 2.476 566 M HA 0.023 4.507 4.480 0.008 0.000 0.262 566 M C 1.424 177.617 176.300 -0.178 0.000 1.079 566 M CA 1.416 56.541 55.300 -0.292 0.000 1.104 566 M CB -0.145 32.291 32.600 -0.272 0.000 1.409 566 M HN 0.905 nan 8.290 nan 0.000 0.467 567 E N -0.406 119.711 120.200 -0.138 0.000 2.152 567 E HA -0.133 4.221 4.350 0.008 0.000 0.192 567 E C 1.775 178.343 176.600 -0.053 0.000 0.983 567 E CA 1.043 57.398 56.400 -0.076 0.000 0.818 567 E CB -0.084 29.572 29.700 -0.075 0.000 0.758 567 E HN 0.560 nan 8.360 nan 0.000 0.467 568 E N 0.148 120.310 120.200 -0.063 0.000 2.204 568 E HA -0.137 4.217 4.350 0.008 0.000 0.194 568 E C 1.635 178.233 176.600 -0.004 0.000 0.989 568 E CA 0.555 56.941 56.400 -0.022 0.000 0.824 568 E CB 0.063 29.759 29.700 -0.006 0.000 0.756 568 E HN 0.244 nan 8.360 nan 0.000 0.477 569 I N 0.551 121.097 120.570 -0.040 0.000 2.500 569 I HA -0.148 4.027 4.170 0.008 0.000 0.252 569 I C 2.296 178.427 176.117 0.024 0.000 1.142 569 I CA 0.795 62.094 61.300 -0.003 0.000 1.451 569 I CB -0.752 37.186 38.000 -0.103 0.000 1.093 569 I HN 0.000 nan 8.210 nan 0.000 0.430 570 V N 0.752 120.668 119.914 0.003 0.000 2.358 570 V HA -0.194 3.931 4.120 0.008 0.000 0.246 570 V C 2.626 178.739 176.094 0.030 0.000 1.047 570 V CA 1.589 63.904 62.300 0.026 0.000 1.035 570 V CB -0.511 31.328 31.823 0.026 0.000 0.658 570 V HN 0.385 nan 8.190 nan 0.000 0.452 571 E N 0.685 120.896 120.200 0.019 0.000 2.072 571 E HA -0.156 4.199 4.350 0.008 0.000 0.191 571 E C 2.248 178.869 176.600 0.035 0.000 0.985 571 E CA 1.532 57.943 56.400 0.019 0.000 0.801 571 E CB -0.326 29.382 29.700 0.013 0.000 0.750 571 E HN 0.554 nan 8.360 nan 0.000 0.452 572 G N 0.402 109.229 108.800 0.046 0.000 2.404 572 G HA2 -0.238 3.727 3.960 0.008 0.000 0.215 572 G HA3 -0.238 3.727 3.960 0.008 0.000 0.215 572 G C 1.967 176.909 174.900 0.069 0.000 1.174 572 G CA 0.909 46.046 45.100 0.061 0.000 0.780 572 G HN 0.357 nan 8.290 nan 0.000 0.537 573 C N 0.583 119.930 119.300 0.079 0.000 2.446 573 C HA 0.028 4.493 4.460 0.008 0.000 0.277 573 C C 3.271 178.321 174.990 0.099 0.000 1.275 573 C CA 1.545 60.617 59.018 0.092 0.000 1.727 573 C CB -0.861 26.942 27.740 0.104 0.000 2.010 573 C HN 0.434 nan 8.230 nan 0.000 0.486 574 T N 0.404 115.017 114.554 0.098 0.000 2.821 574 T HA -0.039 4.315 4.350 0.008 0.000 0.267 574 T C 1.976 176.694 174.700 0.030 0.000 1.046 574 T CA 1.609 63.764 62.100 0.092 0.000 1.139 574 T CB -0.549 68.365 68.868 0.077 0.000 0.871 574 T HN 0.682 nan 8.240 nan 0.000 0.454 575 G N 1.146 109.972 108.800 0.043 0.000 2.422 575 G HA2 -0.052 3.913 3.960 0.008 0.000 0.218 575 G HA3 -0.052 3.913 3.960 0.008 0.000 0.218 575 G C 1.788 176.733 174.900 0.075 0.000 1.146 575 G CA 0.850 45.991 45.100 0.068 0.000 0.769 575 G HN 0.579 nan 8.290 nan 0.000 0.547 576 A N 0.343 123.200 122.820 0.061 0.000 1.929 576 A HA 0.216 4.541 4.320 0.008 0.000 0.216 576 A C 2.388 179.998 177.584 0.043 0.000 1.176 576 A CA 0.958 53.025 52.037 0.050 0.000 0.628 576 A CB -0.300 18.734 19.000 0.056 0.000 0.816 576 A HN 0.341 nan 8.150 nan 0.000 0.444 577 L N -1.290 119.967 121.223 0.057 0.000 2.141 577 L HA -0.162 4.183 4.340 0.008 0.000 0.209 577 L C 2.598 179.470 176.870 0.003 0.000 1.094 577 L CA 1.359 56.230 54.840 0.050 0.000 0.763 577 L CB -0.588 41.546 42.059 0.124 0.000 0.908 577 L HN 0.598 nan 8.230 nan 0.000 0.437 578 H N 0.617 119.603 119.070 -0.140 0.000 2.352 578 H HA -0.163 4.397 4.556 0.008 0.000 0.299 578 H C 2.022 177.269 175.328 -0.134 0.000 1.097 578 H CA 1.897 57.825 56.048 -0.199 0.000 1.311 578 H CB -0.026 29.608 29.762 -0.214 0.000 1.377 578 H HN 0.260 nan 8.280 nan 0.000 0.504 579 I N -0.613 119.842 120.570 -0.193 0.000 2.703 579 I HA -0.113 4.061 4.170 0.008 0.000 0.259 579 I C 2.164 178.210 176.117 -0.118 0.000 1.151 579 I CA 0.288 61.457 61.300 -0.219 0.000 1.470 579 I CB 0.048 37.971 38.000 -0.129 0.000 1.112 579 I HN 0.159 nan 8.210 nan 0.000 0.437 580 L N 0.660 121.836 121.223 -0.078 0.000 2.201 580 L HA -0.122 4.223 4.340 0.008 0.000 0.212 580 L C 2.536 179.279 176.870 -0.212 0.000 1.105 580 L CA 0.964 55.732 54.840 -0.120 0.000 0.775 580 L CB -0.531 41.515 42.059 -0.022 0.000 0.913 580 L HN 0.213 nan 8.230 nan 0.000 0.440 581 A N -0.199 122.539 122.820 -0.138 0.000 2.248 581 A HA -0.109 4.216 4.320 0.008 0.000 0.210 581 A C 2.168 179.662 177.584 -0.151 0.000 1.174 581 A CA 0.662 52.629 52.037 -0.116 0.000 0.750 581 A CB -0.523 18.435 19.000 -0.070 0.000 0.780 581 A HN 0.349 nan 8.150 nan 0.000 0.478 582 R N -0.313 120.052 120.500 -0.224 0.000 2.235 582 R HA -0.042 4.302 4.340 0.008 0.000 0.213 582 R C -0.214 175.949 176.300 -0.228 0.000 1.059 582 R CA 0.740 56.722 56.100 -0.197 0.000 0.997 582 R CB -0.113 30.094 30.300 -0.155 0.000 0.884 582 R HN 0.481 nan 8.270 nan 0.000 0.462 583 D N -0.542 119.655 120.400 -0.338 0.000 2.198 583 D HA 0.022 4.666 4.640 0.008 0.000 0.245 583 D C 0.877 177.084 176.300 -0.155 0.000 1.079 583 D CA -0.163 53.691 54.000 -0.243 0.000 0.854 583 D CB 1.946 42.587 40.800 -0.264 0.000 1.148 583 D HN -0.270 nan 8.370 nan 0.000 0.456 584 V N 4.519 124.329 119.914 -0.173 0.000 2.332 584 V HA -0.259 3.866 4.120 0.008 0.000 0.248 584 V C 1.434 177.480 176.094 -0.080 0.000 1.055 584 V CA 2.031 64.241 62.300 -0.150 0.000 1.038 584 V CB -0.588 31.114 31.823 -0.202 0.000 0.651 584 V HN 0.713 nan 8.190 nan 0.000 0.450 585 H N -0.107 118.953 119.070 -0.017 0.000 2.389 585 H HA -0.100 4.461 4.556 0.008 0.000 0.299 585 H C 2.237 177.559 175.328 -0.010 0.000 1.081 585 H CA 1.816 57.861 56.048 -0.006 0.000 1.345 585 H CB -0.093 29.672 29.762 0.005 0.000 1.393 585 H HN 0.549 nan 8.280 nan 0.000 0.520 586 N N 0.526 119.273 118.700 0.079 0.000 2.244 586 N HA -0.098 4.647 4.740 0.008 0.000 0.183 586 N C 1.658 177.183 175.510 0.025 0.000 1.016 586 N CA 0.337 53.406 53.050 0.031 0.000 0.866 586 N CB 0.068 38.533 38.487 -0.037 0.000 0.980 586 N HN 0.303 nan 8.380 nan 0.000 0.430 587 R N 0.648 121.154 120.500 0.009 0.000 2.115 587 R HA -0.011 4.334 4.340 0.008 0.000 0.230 587 R C 1.940 178.263 176.300 0.038 0.000 1.111 587 R CA 0.825 56.935 56.100 0.017 0.000 0.976 587 R CB -0.222 30.075 30.300 -0.004 0.000 0.870 587 R HN 0.295 nan 8.270 nan 0.000 0.445 588 I N 0.111 120.710 120.570 0.049 0.000 2.353 588 I HA -0.216 3.959 4.170 0.008 0.000 0.248 588 I C 2.135 178.280 176.117 0.047 0.000 1.119 588 I CA 0.884 62.214 61.300 0.051 0.000 1.417 588 I CB -0.073 37.966 38.000 0.065 0.000 1.078 588 I HN -0.061 nan 8.210 nan 0.000 0.421 589 V N 0.982 120.926 119.914 0.050 0.000 2.255 589 V HA -0.251 3.874 4.120 0.008 0.000 0.243 589 V C 2.323 178.446 176.094 0.048 0.000 1.038 589 V CA 1.806 64.132 62.300 0.044 0.000 1.008 589 V CB -0.411 31.439 31.823 0.046 0.000 0.645 589 V HN 0.273 nan 8.190 nan 0.000 0.449 590 I N 0.414 121.021 120.570 0.062 0.000 2.145 590 I HA -0.350 3.824 4.170 0.008 0.000 0.244 590 I C 3.048 179.214 176.117 0.081 0.000 1.075 590 I CA 2.380 63.734 61.300 0.089 0.000 1.332 590 I CB -0.564 37.513 38.000 0.128 0.000 1.033 590 I HN 0.371 nan 8.210 nan 0.000 0.410 591 R N 0.808 121.350 120.500 0.071 0.000 2.090 591 R HA 0.023 4.368 4.340 0.008 0.000 0.228 591 R C 2.251 178.569 176.300 0.030 0.000 1.110 591 R CA 1.330 57.464 56.100 0.058 0.000 0.973 591 R CB -2.125 28.206 30.300 0.052 0.000 0.869 591 R HN 0.538 nan 8.270 nan 0.000 0.440 592 G N -0.364 108.453 108.800 0.028 0.000 2.679 592 G HA2 0.136 4.101 3.960 0.008 0.000 0.212 592 G HA3 0.136 4.101 3.960 0.008 0.000 0.212 592 G C 0.903 175.809 174.900 0.009 0.000 1.137 592 G CA 0.182 45.293 45.100 0.018 0.000 0.787 592 G HN 0.354 nan 8.290 nan 0.000 0.534 593 L N 0.181 121.408 121.223 0.006 0.000 2.653 593 L HA 0.342 4.687 4.340 0.008 0.000 0.231 593 L C 0.763 177.613 176.870 -0.033 0.000 1.153 593 L CA -0.837 53.998 54.840 -0.008 0.000 0.933 593 L CB -1.211 40.846 42.059 -0.002 0.000 1.175 593 L HN 0.251 nan 8.230 nan 0.000 0.473 594 N N -0.421 118.260 118.700 -0.032 0.000 2.671 594 N HA -0.231 4.514 4.740 0.008 0.000 0.261 594 N C 1.047 176.487 175.510 -0.117 0.000 1.053 594 N CA 0.913 53.932 53.050 -0.052 0.000 0.732 594 N CB -0.466 37.998 38.487 -0.038 0.000 0.887 594 N HN 0.502 nan 8.380 nan 0.000 0.546 595 T N -3.369 111.087 114.554 -0.164 0.000 3.037 595 T HA 0.215 4.569 4.350 0.008 0.000 0.252 595 T C 1.929 176.341 174.700 -0.480 0.000 1.073 595 T CA 0.446 62.287 62.100 -0.431 0.000 1.091 595 T CB -0.017 68.544 68.868 -0.512 0.000 0.935 595 T HN 0.324 nan 8.240 nan 0.000 0.488 596 I N 2.238 122.736 120.570 -0.119 0.000 2.208 596 I HA -0.062 4.113 4.170 0.008 0.000 0.245 596 I C -0.648 175.472 176.117 0.004 0.000 1.097 596 I CA 1.137 62.465 61.300 0.046 0.000 1.363 596 I CB -1.020 37.028 38.000 0.079 0.000 1.051 596 I HN 0.191 nan 8.210 nan 0.000 0.413 597 P HA -0.223 nan 4.420 nan 0.000 0.215 597 P C 1.812 179.092 177.300 -0.032 0.000 1.157 597 P CA 1.362 64.451 63.100 -0.019 0.000 0.874 597 P CB -0.031 31.651 31.700 -0.029 0.000 0.790 598 L N -2.156 118.983 121.223 -0.141 0.000 2.156 598 L HA -0.021 4.323 4.340 0.008 0.000 0.208 598 L C 2.008 178.807 176.870 -0.118 0.000 1.095 598 L CA 1.756 56.495 54.840 -0.169 0.000 0.770 598 L CB -1.364 40.529 42.059 -0.277 0.000 0.914 598 L HN -0.196 nan 8.230 nan 0.000 0.439 599 F N -0.822 119.096 119.950 -0.053 0.000 2.186 599 F HA -0.092 4.440 4.527 0.008 0.000 0.299 599 F C 2.471 178.240 175.800 -0.051 0.000 1.090 599 F CA 1.183 59.141 58.000 -0.069 0.000 1.307 599 F CB -1.232 37.731 39.000 -0.062 0.000 1.019 599 F HN -0.093 nan 8.300 nan 0.000 0.489 600 V N -0.541 119.472 119.914 0.165 0.000 2.453 600 V HA -0.244 3.881 4.120 0.008 0.000 0.247 600 V C 2.342 178.537 176.094 0.170 0.000 1.048 600 V CA 1.661 64.031 62.300 0.118 0.000 1.049 600 V CB -0.620 31.271 31.823 0.114 0.000 0.672 600 V HN 0.335 nan 8.190 nan 0.000 0.457 601 Q N -0.536 119.373 119.800 0.181 0.000 2.291 601 Q HA -0.084 4.260 4.340 0.008 0.000 0.205 601 Q C 2.043 178.185 176.000 0.235 0.000 0.970 601 Q CA 1.042 57.004 55.803 0.265 0.000 0.876 601 Q CB 0.012 28.842 28.738 0.153 0.000 0.935 601 Q HN 0.578 nan 8.270 nan 0.000 0.455 602 L N 0.107 121.381 121.223 0.085 0.000 2.492 602 L HA -0.050 4.295 4.340 0.008 0.000 0.223 602 L C 1.790 178.673 176.870 0.021 0.000 1.132 602 L CA 0.105 54.959 54.840 0.023 0.000 0.850 602 L CB 0.053 42.099 42.059 -0.023 0.000 0.966 602 L HN 0.256 nan 8.230 nan 0.000 0.454 603 L N -1.578 119.629 121.223 -0.027 0.000 2.275 603 L HA -0.178 4.166 4.340 0.008 0.000 0.215 603 L C 1.542 178.274 176.870 -0.229 0.000 1.119 603 L CA 1.019 55.758 54.840 -0.168 0.000 0.790 603 L CB -0.413 41.477 42.059 -0.283 0.000 0.919 603 L HN 0.267 nan 8.230 nan 0.000 0.443 604 Y N -0.881 119.429 120.300 0.017 0.000 2.471 604 Y HA 0.087 4.641 4.550 0.008 0.000 0.286 604 Y C 1.620 177.534 175.900 0.023 0.000 1.188 604 Y CA -0.253 57.859 58.100 0.021 0.000 1.286 604 Y CB -0.011 38.466 38.460 0.028 0.000 1.072 604 Y HN -0.025 nan 8.280 nan 0.000 0.517 605 S N 2.308 118.082 115.700 0.123 0.000 2.531 605 S HA 0.054 4.529 4.470 0.008 0.000 0.279 605 S C -1.137 173.496 174.600 0.055 0.000 1.305 605 S CA -1.393 56.860 58.200 0.089 0.000 1.058 605 S CB 0.825 64.059 63.200 0.057 0.000 0.899 605 S HN 0.099 nan 8.310 nan 0.000 0.493 606 P HA -0.019 nan 4.420 nan 0.000 0.216 606 P C 0.240 177.550 177.300 0.015 0.000 1.153 606 P CA 0.699 63.817 63.100 0.030 0.000 0.844 606 P CB -0.218 31.497 31.700 0.025 0.000 0.787 607 I N 1.236 121.814 120.570 0.012 0.000 2.662 607 I HA -0.059 4.115 4.170 0.008 0.000 0.285 607 I C 1.918 178.036 176.117 0.002 0.000 1.161 607 I CA 0.580 61.882 61.300 0.004 0.000 1.415 607 I CB -0.060 37.940 38.000 -0.001 0.000 1.385 607 I HN -0.073 nan 8.210 nan 0.000 0.552 608 E N 3.843 124.044 120.200 0.001 0.000 2.072 608 E HA -0.202 4.153 4.350 0.008 0.000 0.191 608 E C 1.426 178.026 176.600 -0.000 0.000 0.985 608 E CA 1.074 57.474 56.400 -0.001 0.000 0.801 608 E CB 0.007 29.707 29.700 0.000 0.000 0.750 608 E HN 0.619 nan 8.360 nan 0.000 0.452 609 N N 0.729 119.430 118.700 0.002 0.000 2.272 609 N HA -0.136 4.608 4.740 0.008 0.000 0.185 609 N C 1.709 177.215 175.510 -0.005 0.000 1.014 609 N CA 0.872 53.925 53.050 0.005 0.000 0.870 609 N CB -0.097 38.395 38.487 0.009 0.000 0.975 609 N HN 0.220 nan 8.380 nan 0.000 0.433 610 I N 0.728 121.293 120.570 -0.009 0.000 2.406 610 I HA -0.200 3.975 4.170 0.008 0.000 0.249 610 I C 2.107 178.202 176.117 -0.037 0.000 1.122 610 I CA 0.680 61.969 61.300 -0.019 0.000 1.431 610 I CB -0.098 37.899 38.000 -0.005 0.000 1.087 610 I HN 0.103 nan 8.210 nan 0.000 0.424 611 Q N 0.362 120.145 119.800 -0.029 0.000 2.061 611 Q HA -0.268 4.076 4.340 0.008 0.000 0.204 611 Q C 2.304 178.271 176.000 -0.055 0.000 0.984 611 Q CA 1.740 57.517 55.803 -0.043 0.000 0.846 611 Q CB -0.257 28.462 28.738 -0.031 0.000 0.902 611 Q HN 0.360 nan 8.270 nan 0.000 0.421 612 R N 0.008 120.492 120.500 -0.026 0.000 2.081 612 R HA -0.136 4.209 4.340 0.008 0.000 0.235 612 R C 2.056 178.282 176.300 -0.124 0.000 1.131 612 R CA 1.208 57.314 56.100 0.011 0.000 0.960 612 R CB -0.154 30.180 30.300 0.056 0.000 0.856 612 R HN 0.137 nan 8.270 nan 0.000 0.436 613 V N 0.342 120.159 119.914 -0.162 0.000 2.535 613 V HA -0.031 4.093 4.120 0.008 0.000 0.246 613 V C 2.201 178.052 176.094 -0.404 0.000 1.045 613 V CA 1.561 63.688 62.300 -0.288 0.000 1.058 613 V CB 0.217 31.968 31.823 -0.121 0.000 0.689 613 V HN 0.552 nan 8.190 nan 0.000 0.461 614 A N -0.159 122.503 122.820 -0.263 0.000 1.898 614 A HA -0.063 4.261 4.320 0.008 0.000 0.216 614 A C 2.357 179.742 177.584 -0.331 0.000 1.181 614 A CA 1.892 53.768 52.037 -0.268 0.000 0.620 614 A CB -0.753 18.189 19.000 -0.097 0.000 0.819 614 A HN 0.602 nan 8.150 nan 0.000 0.442 615 A N -0.529 122.130 122.820 -0.268 0.000 1.969 615 A HA 0.157 4.482 4.320 0.008 0.000 0.218 615 A C 2.315 179.641 177.584 -0.431 0.000 1.169 615 A CA 1.809 53.708 52.037 -0.231 0.000 0.635 615 A CB -1.161 17.790 19.000 -0.080 0.000 0.810 615 A HN 0.664 nan 8.150 nan 0.000 0.445 616 G N -1.007 107.295 108.800 -0.830 0.000 2.394 616 G HA2 -0.070 3.895 3.960 0.008 0.000 0.214 616 G HA3 -0.070 3.895 3.960 0.008 0.000 0.214 616 G C 1.588 175.918 174.900 -0.950 0.000 1.176 616 G CA 1.060 45.248 45.100 -1.521 0.000 0.786 616 G HN 0.415 nan 8.290 nan 0.000 0.533 617 V N 0.607 120.054 119.914 -0.777 0.000 2.453 617 V HA 0.025 4.150 4.120 0.008 0.000 0.247 617 V C 2.844 178.700 176.094 -0.396 0.000 1.048 617 V CA 1.301 63.320 62.300 -0.468 0.000 1.049 617 V CB -0.204 31.192 31.823 -0.712 0.000 0.672 617 V HN 0.388 nan 8.190 nan 0.000 0.457 618 L N -0.692 120.290 121.223 -0.401 0.000 2.083 618 L HA -0.224 4.121 4.340 0.008 0.000 0.209 618 L C 2.711 179.507 176.870 -0.123 0.000 1.083 618 L CA 1.839 56.559 54.840 -0.199 0.000 0.752 618 L CB -0.717 41.260 42.059 -0.137 0.000 0.899 618 L HN 0.529 nan 8.230 nan 0.000 0.433 619 C N 0.084 119.292 119.300 -0.153 0.000 2.440 619 C HA -0.159 4.306 4.460 0.008 0.000 0.278 619 C C 2.716 177.692 174.990 -0.024 0.000 1.295 619 C CA 1.140 60.124 59.018 -0.056 0.000 1.738 619 C CB -0.334 27.384 27.740 -0.037 0.000 1.987 619 C HN 0.509 nan 8.230 nan 0.000 0.492 620 E N 0.249 120.418 120.200 -0.052 0.000 2.107 620 E HA -0.036 4.319 4.350 0.008 0.000 0.191 620 E C 2.029 178.613 176.600 -0.026 0.000 0.982 620 E CA 1.010 57.397 56.400 -0.022 0.000 0.809 620 E CB -0.228 29.459 29.700 -0.021 0.000 0.756 620 E HN 0.676 nan 8.360 nan 0.000 0.459 621 L N -0.478 120.722 121.223 -0.038 0.000 2.217 621 L HA -0.012 4.333 4.340 0.008 0.000 0.211 621 L C 2.209 179.077 176.870 -0.003 0.000 1.107 621 L CA 0.846 55.678 54.840 -0.014 0.000 0.783 621 L CB -0.289 41.772 42.059 0.003 0.000 0.919 621 L HN 0.150 nan 8.230 nan 0.000 0.442 622 A N 0.143 122.960 122.820 -0.005 0.000 2.119 622 A HA -0.187 4.138 4.320 0.008 0.000 0.217 622 A C 2.261 179.847 177.584 0.002 0.000 1.153 622 A CA 1.028 53.065 52.037 0.001 0.000 0.692 622 A CB -0.433 18.570 19.000 0.004 0.000 0.799 622 A HN 0.610 nan 8.150 nan 0.000 0.458 623 Q N 0.106 119.910 119.800 0.007 0.000 2.291 623 Q HA -0.130 4.215 4.340 0.008 0.000 0.206 623 Q C -0.661 175.338 176.000 -0.001 0.000 0.976 623 Q CA 1.110 56.919 55.803 0.010 0.000 0.875 623 Q CB -0.379 28.367 28.738 0.013 0.000 0.927 623 Q HN 0.497 nan 8.270 nan 0.000 0.450 624 D N 0.777 121.174 120.400 -0.004 0.000 2.175 624 D HA 0.191 4.836 4.640 0.008 0.000 0.248 624 D C 0.821 177.117 176.300 -0.007 0.000 1.047 624 D CA 0.498 54.495 54.000 -0.005 0.000 0.883 624 D CB 1.730 42.529 40.800 -0.003 0.000 1.180 624 D HN 0.227 nan 8.370 nan 0.000 0.438 625 K N 1.442 121.837 120.400 -0.010 0.000 2.025 625 K HA -0.108 4.217 4.320 0.008 0.000 0.207 625 K C 2.029 178.624 176.600 -0.009 0.000 1.049 625 K CA 1.965 58.244 56.287 -0.015 0.000 0.933 625 K CB -1.480 31.010 32.500 -0.017 0.000 0.714 625 K HN 0.596 nan 8.250 nan 0.000 0.438 626 E N 0.558 120.756 120.200 -0.003 0.000 2.204 626 E HA 0.172 4.526 4.350 0.008 0.000 0.195 626 E C 2.372 178.975 176.600 0.006 0.000 0.990 626 E CA 1.606 58.007 56.400 0.001 0.000 0.821 626 E CB -0.815 28.888 29.700 0.005 0.000 0.750 626 E HN 0.828 nan 8.360 nan 0.000 0.477 627 A N 0.542 123.367 122.820 0.008 0.000 1.930 627 A HA 0.414 4.739 4.320 0.008 0.000 0.215 627 A C 2.794 180.385 177.584 0.012 0.000 1.176 627 A CA 1.734 53.780 52.037 0.016 0.000 0.632 627 A CB -0.458 18.554 19.000 0.019 0.000 0.819 627 A HN 0.941 nan 8.150 nan 0.000 0.445 628 A N 0.100 122.921 122.820 0.002 0.000 1.972 628 A HA -0.170 4.154 4.320 0.008 0.000 0.219 628 A C 1.860 179.442 177.584 -0.004 0.000 1.169 628 A CA 1.717 53.752 52.037 -0.005 0.000 0.635 628 A CB -0.429 18.559 19.000 -0.020 0.000 0.810 628 A HN 0.641 nan 8.150 nan 0.000 0.446 629 E N -0.374 119.824 120.200 -0.003 0.000 2.112 629 E HA 0.028 4.382 4.350 0.008 0.000 0.190 629 E C 2.222 178.825 176.600 0.006 0.000 0.979 629 E CA 0.767 57.166 56.400 -0.002 0.000 0.814 629 E CB -0.233 29.465 29.700 -0.004 0.000 0.762 629 E HN 0.604 nan 8.360 nan 0.000 0.460 630 A N 0.838 123.665 122.820 0.012 0.000 2.015 630 A HA -0.114 4.211 4.320 0.008 0.000 0.219 630 A C 2.084 179.683 177.584 0.025 0.000 1.163 630 A CA 0.841 52.889 52.037 0.018 0.000 0.646 630 A CB -0.416 18.597 19.000 0.021 0.000 0.806 630 A HN 0.130 nan 8.150 nan 0.000 0.448 631 I N -0.980 119.605 120.570 0.026 0.000 2.286 631 I HA -0.173 4.001 4.170 0.008 0.000 0.245 631 I C 2.507 178.639 176.117 0.025 0.000 1.104 631 I CA 1.154 62.472 61.300 0.031 0.000 1.397 631 I CB -0.240 37.776 38.000 0.027 0.000 1.072 631 I HN 0.378 nan 8.210 nan 0.000 0.417 632 E N 1.000 121.209 120.200 0.016 0.000 2.077 632 E HA -0.217 4.138 4.350 0.008 0.000 0.193 632 E C 2.282 178.893 176.600 0.018 0.000 0.989 632 E CA 1.307 57.715 56.400 0.013 0.000 0.800 632 E CB -0.033 29.669 29.700 0.004 0.000 0.746 632 E HN 0.490 nan 8.360 nan 0.000 0.452 633 A N 0.896 123.726 122.820 0.017 0.000 2.067 633 A HA -0.116 4.208 4.320 0.008 0.000 0.219 633 A C 1.772 179.370 177.584 0.024 0.000 1.158 633 A CA 0.840 52.888 52.037 0.017 0.000 0.661 633 A CB -0.065 18.943 19.000 0.013 0.000 0.801 633 A HN 0.068 nan 8.150 nan 0.000 0.452 634 E N -0.813 119.406 120.200 0.032 0.000 2.489 634 E HA 0.145 4.499 4.350 0.008 0.000 0.193 634 E C 0.943 177.577 176.600 0.058 0.000 1.057 634 E CA 0.597 57.022 56.400 0.042 0.000 0.866 634 E CB -0.214 29.514 29.700 0.047 0.000 0.916 634 E HN 0.725 nan 8.360 nan 0.000 0.500 635 G N 1.079 109.910 108.800 0.052 0.000 2.248 635 G HA2 -0.292 3.672 3.960 0.008 0.000 0.263 635 G HA3 -0.292 3.672 3.960 0.008 0.000 0.263 635 G C 0.835 175.782 174.900 0.078 0.000 1.082 635 G CA 0.421 45.560 45.100 0.065 0.000 0.863 635 G HN 0.365 nan 8.290 nan 0.000 0.495 636 A N -1.016 121.834 122.820 0.051 0.000 2.132 636 A HA 0.375 4.700 4.320 0.008 0.000 0.213 636 A C 2.308 179.895 177.584 0.004 0.000 1.154 636 A CA 2.169 54.223 52.037 0.028 0.000 0.753 636 A CB -0.205 18.808 19.000 0.022 0.000 0.826 636 A HN 0.681 nan 8.150 nan 0.000 0.469 637 T N 0.413 114.976 114.554 0.015 0.000 2.777 637 T HA -0.031 4.324 4.350 0.008 0.000 0.266 637 T C 2.263 176.965 174.700 0.004 0.000 1.040 637 T CA 1.479 63.584 62.100 0.009 0.000 1.141 637 T CB -0.326 68.550 68.868 0.014 0.000 0.868 637 T HN 0.565 nan 8.240 nan 0.000 0.444 638 A N 2.459 125.290 122.820 0.019 0.000 1.845 638 A HA -0.032 4.293 4.320 0.008 0.000 0.215 638 A C 0.394 177.967 177.584 -0.017 0.000 1.195 638 A CA 1.315 53.366 52.037 0.023 0.000 0.616 638 A CB -1.606 17.435 19.000 0.067 0.000 0.832 638 A HN 0.410 nan 8.150 nan 0.000 0.443 639 P HA -0.099 nan 4.420 nan 0.000 0.220 639 P C 1.474 178.672 177.300 -0.171 0.000 1.148 639 P CA 0.880 63.834 63.100 -0.243 0.000 0.803 639 P CB -0.172 31.127 31.700 -0.669 0.000 0.782 640 L N -0.861 120.296 121.223 -0.110 0.000 2.156 640 L HA -0.080 4.264 4.340 0.008 0.000 0.208 640 L C 2.496 179.343 176.870 -0.039 0.000 1.095 640 L CA 1.497 56.296 54.840 -0.068 0.000 0.770 640 L CB -1.317 40.718 42.059 -0.038 0.000 0.914 640 L HN 0.001 nan 8.230 nan 0.000 0.439 641 T N -0.661 113.875 114.554 -0.029 0.000 2.821 641 T HA -0.149 4.206 4.350 0.008 0.000 0.267 641 T C 2.125 176.814 174.700 -0.017 0.000 1.046 641 T CA 1.536 63.628 62.100 -0.013 0.000 1.139 641 T CB -0.161 68.705 68.868 -0.002 0.000 0.871 641 T HN 0.560 nan 8.240 nan 0.000 0.454 642 E N 0.763 120.947 120.200 -0.027 0.000 2.347 642 E HA 0.088 4.443 4.350 0.008 0.000 0.196 642 E C 1.838 178.420 176.600 -0.031 0.000 1.008 642 E CA 0.513 56.900 56.400 -0.023 0.000 0.852 642 E CB -0.629 29.059 29.700 -0.020 0.000 0.783 642 E HN 0.269 nan 8.360 nan 0.000 0.505 643 L N -0.074 121.122 121.223 -0.045 0.000 2.509 643 L HA 0.232 4.577 4.340 0.008 0.000 0.222 643 L C 2.296 179.150 176.870 -0.027 0.000 1.123 643 L CA 0.539 55.354 54.840 -0.041 0.000 0.856 643 L CB -0.201 41.824 42.059 -0.056 0.000 0.985 643 L HN 0.316 nan 8.230 nan 0.000 0.456 644 L N -0.504 120.706 121.223 -0.022 0.000 2.131 644 L HA -0.180 4.165 4.340 0.008 0.000 0.210 644 L C 1.845 178.705 176.870 -0.018 0.000 1.092 644 L CA 1.323 56.153 54.840 -0.017 0.000 0.759 644 L CB -0.795 41.258 42.059 -0.011 0.000 0.903 644 L HN 0.560 nan 8.230 nan 0.000 0.435 645 H N -0.652 118.409 119.070 -0.016 0.000 2.672 645 H HA 0.500 5.061 4.556 0.008 0.000 0.262 645 H C 0.345 175.664 175.328 -0.014 0.000 1.577 645 H CA 0.156 56.196 56.048 -0.014 0.000 1.183 645 H CB 0.150 29.907 29.762 -0.009 0.000 1.546 645 H HN 0.118 nan 8.280 nan 0.000 0.502 646 S N -0.301 115.388 115.700 -0.018 0.000 2.549 646 S HA 0.536 5.011 4.470 0.008 0.000 0.297 646 S C 1.897 176.486 174.600 -0.018 0.000 1.115 646 S CA 0.234 58.423 58.200 -0.017 0.000 1.059 646 S CB 1.013 64.202 63.200 -0.019 0.000 1.046 646 S HN 0.942 nan 8.310 nan 0.000 0.506 647 R N 3.353 123.845 120.500 -0.014 0.000 2.148 647 R HA 0.104 4.448 4.340 0.008 0.000 0.227 647 R C 0.785 177.075 176.300 -0.017 0.000 1.103 647 R CA 1.584 57.675 56.100 -0.014 0.000 0.983 647 R CB -1.664 28.630 30.300 -0.010 0.000 0.874 647 R HN 0.792 nan 8.270 nan 0.000 0.451 648 N N 0.189 118.879 118.700 -0.016 0.000 2.475 648 N HA 0.068 4.813 4.740 0.008 0.000 0.267 648 N C 0.495 175.986 175.510 -0.031 0.000 1.169 648 N CA -0.049 52.990 53.050 -0.018 0.000 0.947 648 N CB 1.233 39.714 38.487 -0.010 0.000 1.061 648 N HN 0.356 nan 8.380 nan 0.000 0.466 649 E N 1.923 122.098 120.200 -0.041 0.000 2.112 649 E HA 0.042 4.397 4.350 0.008 0.000 0.190 649 E C 1.737 178.277 176.600 -0.100 0.000 0.979 649 E CA 1.181 57.543 56.400 -0.063 0.000 0.814 649 E CB -0.215 29.448 29.700 -0.061 0.000 0.762 649 E HN 0.807 nan 8.360 nan 0.000 0.460 650 G N -0.219 108.522 108.800 -0.099 0.000 2.408 650 G HA2 -0.195 3.770 3.960 0.008 0.000 0.217 650 G HA3 -0.195 3.770 3.960 0.008 0.000 0.217 650 G C 1.660 176.494 174.900 -0.109 0.000 1.150 650 G CA 0.872 45.870 45.100 -0.170 0.000 0.776 650 G HN 0.206 nan 8.290 nan 0.000 0.542 651 V N 1.485 121.392 119.914 -0.013 0.000 2.343 651 V HA -0.119 4.006 4.120 0.008 0.000 0.247 651 V C 3.293 179.388 176.094 0.001 0.000 1.051 651 V CA 2.013 64.330 62.300 0.028 0.000 1.036 651 V CB -0.744 31.082 31.823 0.006 0.000 0.654 651 V HN 0.455 nan 8.190 nan 0.000 0.451 652 A N -0.430 122.368 122.820 -0.036 0.000 1.969 652 A HA -0.167 4.157 4.320 0.008 0.000 0.218 652 A C 2.369 179.918 177.584 -0.059 0.000 1.169 652 A CA 2.214 54.227 52.037 -0.040 0.000 0.635 652 A CB -0.743 18.231 19.000 -0.044 0.000 0.810 652 A HN 0.519 nan 8.150 nan 0.000 0.445 653 T N -1.211 113.268 114.554 -0.124 0.000 2.732 653 T HA -0.118 4.237 4.350 0.008 0.000 0.261 653 T C 1.731 176.354 174.700 -0.128 0.000 1.040 653 T CA 1.629 63.619 62.100 -0.182 0.000 1.145 653 T CB -0.495 68.171 68.868 -0.337 0.000 0.866 653 T HN 0.599 nan 8.240 nan 0.000 0.427 654 Y N 1.341 121.620 120.300 -0.037 0.000 2.224 654 Y HA -0.035 4.520 4.550 0.008 0.000 0.289 654 Y C 2.846 178.721 175.900 -0.040 0.000 1.146 654 Y CA 0.421 58.495 58.100 -0.043 0.000 1.182 654 Y CB -0.355 38.055 38.460 -0.083 0.000 0.983 654 Y HN 0.199 nan 8.280 nan 0.000 0.524 655 A N 0.265 123.146 122.820 0.102 0.000 1.933 655 A HA -0.187 4.137 4.320 0.008 0.000 0.218 655 A C 2.373 179.981 177.584 0.041 0.000 1.175 655 A CA 1.747 53.810 52.037 0.043 0.000 0.628 655 A CB -1.053 17.953 19.000 0.009 0.000 0.814 655 A HN 0.428 nan 8.150 nan 0.000 0.444 656 A N -0.344 122.495 122.820 0.033 0.000 1.929 656 A HA 0.265 4.589 4.320 0.008 0.000 0.216 656 A C 2.441 180.074 177.584 0.081 0.000 1.176 656 A CA 1.726 53.786 52.037 0.037 0.000 0.628 656 A CB -0.849 18.151 19.000 -0.001 0.000 0.816 656 A HN 1.013 nan 8.150 nan 0.000 0.444 657 A N -0.560 122.313 122.820 0.087 0.000 2.015 657 A HA 0.094 4.418 4.320 0.008 0.000 0.219 657 A C 2.146 179.820 177.584 0.149 0.000 1.163 657 A CA 1.586 53.702 52.037 0.132 0.000 0.646 657 A CB -0.627 18.454 19.000 0.135 0.000 0.806 657 A HN 0.332 nan 8.150 nan 0.000 0.448 658 V N -0.031 119.945 119.914 0.104 0.000 2.323 658 V HA -0.205 3.920 4.120 0.008 0.000 0.244 658 V C 2.500 178.633 176.094 0.065 0.000 1.041 658 V CA 1.754 64.093 62.300 0.066 0.000 1.025 658 V CB -0.767 31.073 31.823 0.029 0.000 0.656 658 V HN 0.564 nan 8.190 nan 0.000 0.451 659 L N -1.021 120.247 121.223 0.075 0.000 2.083 659 L HA -0.198 4.146 4.340 0.008 0.000 0.209 659 L C 2.337 179.265 176.870 0.097 0.000 1.083 659 L CA 1.865 56.746 54.840 0.068 0.000 0.752 659 L CB -0.565 41.533 42.059 0.066 0.000 0.899 659 L HN 0.359 nan 8.230 nan 0.000 0.433 660 F N 0.590 120.542 119.950 0.003 0.000 2.163 660 F HA -0.132 4.399 4.527 0.008 0.000 0.297 660 F C 2.545 178.348 175.800 0.004 0.000 1.094 660 F CA 1.248 59.250 58.000 0.003 0.000 1.290 660 F CB 0.003 39.005 39.000 0.003 0.000 1.017 660 F HN -0.162 nan 8.300 nan 0.000 0.483 661 R N -0.001 120.470 120.500 -0.047 0.000 2.323 661 R HA 0.049 4.394 4.340 0.008 0.000 0.198 661 R C 0.539 176.760 176.300 -0.132 0.000 0.988 661 R CA 0.366 56.386 56.100 -0.133 0.000 1.041 661 R CB -0.283 30.023 30.300 0.010 0.000 0.926 661 R HN 0.353 nan 8.270 nan 0.000 0.476 662 M N 1.055 120.590 119.600 -0.108 0.000 3.443 662 M HA 0.098 4.582 4.480 0.008 0.000 0.228 662 M C -0.607 175.623 176.300 -0.118 0.000 1.227 662 M CA -0.045 55.204 55.300 -0.085 0.000 1.321 662 M CB 0.377 32.954 32.600 -0.037 0.000 1.134 662 M HN 0.013 nan 8.290 nan 0.000 0.567 663 S N 0.000 115.585 115.700 -0.191 0.000 2.498 663 S HA 0.000 4.475 4.470 0.008 0.000 0.327 663 S CA 0.000 58.087 58.200 -0.188 0.000 1.107 663 S CB 0.000 63.089 63.200 -0.185 0.000 0.593 663 S HN 0.000 nan 8.310 nan 0.000 0.517