REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jpw_1_A DATA FIRST_RESID 151 DATA SEQUENCE RAIPELTKLL NDEDQVVVNK AAVMVHQLSK KEASRHAIMR SPQMVSAIVR DATA SEQUENCE TMQNTNDVET ARCTAGTLHN LSHHREGLLA IFKSGGIPAL VKMLGSPVDS DATA SEQUENCE VLFYAITTLH NLLLHQEGAK MAVRLAGGLQ KMVALLNKTN VKFLAITTDC DATA SEQUENCE LQILAYGNQE SKLIILASGG PQALVNIMRT YTYEKLLWTT SRVLKVLSVC DATA SEQUENCE SSNKPAIVEA GGMQALGLHL TDPSQRLVQN CLWTLRNLSD AATKQEGMEG DATA SEQUENCE LLGTLVQLLG SDDINVVTCA AGILSNLTCN NYKNKMMVCQ VGGIEALVRT DATA SEQUENCE VLRAGDREDI TEPAICALRH LTSRHQEAEM AQNAVRLHYG LPVVVKLLHP DATA SEQUENCE PSHWPLIKAT VGLIRNLALC PANHAPLREQ GAIPRLVQLL VRAHQDTQRX DATA SEQUENCE XXXXXXXXXF VEGVRMEEIV EGCTGALHIL ARDVHNRIVI RGLNTIPLFV DATA SEQUENCE QLLYSPIENI QRVAAGVLCE LAQDKEAAEA IEAEGATAPL TELLHSRNEG DATA SEQUENCE VATYAAAVLF RM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 151 R HA 0.000 nan 4.340 nan 0.000 0.208 151 R C 0.000 176.304 176.300 0.007 0.000 0.893 151 R CA 0.000 56.104 56.100 0.006 0.000 0.921 151 R CB 0.000 30.303 30.300 0.005 0.000 0.687 152 A N 2.066 124.891 122.820 0.008 0.000 1.972 152 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 152 A C 1.815 179.405 177.584 0.010 0.000 1.169 152 A CA 1.254 53.296 52.037 0.009 0.000 0.635 152 A CB -0.357 18.648 19.000 0.009 0.000 0.810 152 A HN 0.242 nan 8.150 nan 0.000 0.446 153 I N 0.220 120.797 120.570 0.010 0.000 2.087 153 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 153 I C -0.307 175.816 176.117 0.010 0.000 1.054 153 I CA 1.811 63.118 61.300 0.011 0.000 1.311 153 I CB -2.596 35.411 38.000 0.013 0.000 1.024 153 I HN 0.160 nan 8.210 nan 0.000 0.402 154 P HA -0.145 nan 4.420 nan 0.000 0.218 154 P C 1.603 178.908 177.300 0.008 0.000 1.146 154 P CA 1.340 64.445 63.100 0.008 0.000 0.813 154 P CB 0.005 31.709 31.700 0.007 0.000 0.778 155 E N -0.535 119.669 120.200 0.008 0.000 2.021 155 E HA -0.060 4.290 4.350 -0.000 0.000 0.189 155 E C 2.145 178.751 176.600 0.009 0.000 0.980 155 E CA 0.991 57.396 56.400 0.008 0.000 0.803 155 E CB -0.943 28.762 29.700 0.008 0.000 0.766 155 E HN 0.271 nan 8.360 nan 0.000 0.449 156 L N 1.072 122.301 121.223 0.011 0.000 2.043 156 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 156 L C 2.649 179.526 176.870 0.011 0.000 1.075 156 L CA 1.529 56.376 54.840 0.012 0.000 0.752 156 L CB -1.097 40.971 42.059 0.015 0.000 0.891 156 L HN 0.117 nan 8.230 nan 0.000 0.432 157 T N 0.006 114.566 114.554 0.010 0.000 2.653 157 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 157 T C 1.870 176.574 174.700 0.008 0.000 1.035 157 T CA 1.778 63.883 62.100 0.009 0.000 1.154 157 T CB -0.193 68.680 68.868 0.008 0.000 0.862 157 T HN 0.369 nan 8.240 nan 0.000 0.441 158 K N 0.840 121.244 120.400 0.007 0.000 2.009 158 K HA -0.015 4.304 4.320 -0.000 0.000 0.210 158 K C 2.340 178.943 176.600 0.007 0.000 1.049 158 K CA 1.211 57.502 56.287 0.006 0.000 0.929 158 K CB -0.526 31.977 32.500 0.006 0.000 0.714 158 K HN 0.279 nan 8.250 nan 0.000 0.440 159 L N 1.071 122.298 121.223 0.008 0.000 2.079 159 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 159 L C 2.392 179.267 176.870 0.008 0.000 1.081 159 L CA 1.017 55.862 54.840 0.008 0.000 0.752 159 L CB -0.490 41.575 42.059 0.010 0.000 0.896 159 L HN 0.181 nan 8.230 nan 0.000 0.433 160 L N -0.239 120.990 121.223 0.010 0.000 2.201 160 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 160 L C 1.315 178.189 176.870 0.007 0.000 1.105 160 L CA 0.714 55.560 54.840 0.009 0.000 0.775 160 L CB -0.362 41.704 42.059 0.011 0.000 0.913 160 L HN 0.366 nan 8.230 nan 0.000 0.440 161 N N -0.295 118.409 118.700 0.006 0.000 2.346 161 N HA 0.008 4.748 4.740 -0.000 0.000 0.225 161 N C -0.003 175.509 175.510 0.003 0.000 1.144 161 N CA 0.190 53.243 53.050 0.004 0.000 0.837 161 N CB -0.082 38.407 38.487 0.003 0.000 1.069 161 N HN 0.303 nan 8.380 nan 0.000 0.487 162 D N 0.569 120.971 120.400 0.004 0.000 2.383 162 D HA 0.026 4.666 4.640 -0.000 0.000 0.248 162 D C 0.740 177.042 176.300 0.003 0.000 1.170 162 D CA -0.130 53.872 54.000 0.004 0.000 0.977 162 D CB 1.995 42.797 40.800 0.004 0.000 1.120 162 D HN 0.092 nan 8.370 nan 0.000 0.481 163 E N 0.141 120.342 120.200 0.002 0.000 2.075 163 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 163 E C -0.292 176.309 176.600 0.001 0.000 0.969 163 E CA -0.054 56.346 56.400 0.001 0.000 0.815 163 E CB 0.165 29.866 29.700 0.001 0.000 0.776 163 E HN 0.378 nan 8.360 nan 0.000 0.457 164 D N 2.576 122.977 120.400 0.002 0.000 2.389 164 D HA -0.072 4.568 4.640 -0.000 0.000 0.278 164 D C 0.859 177.160 176.300 0.002 0.000 1.398 164 D CA 0.218 54.220 54.000 0.002 0.000 1.090 164 D CB 0.862 41.663 40.800 0.003 0.000 1.108 164 D HN 0.200 nan 8.370 nan 0.000 0.532 165 Q N 1.504 121.305 119.800 0.002 0.000 2.197 165 Q HA -0.131 4.209 4.340 -0.000 0.000 0.207 165 Q C 2.159 178.161 176.000 0.002 0.000 0.984 165 Q CA 0.644 56.448 55.803 0.002 0.000 0.869 165 Q CB -0.347 28.391 28.738 0.000 0.000 0.906 165 Q HN 0.389 nan 8.270 nan 0.000 0.426 166 V N 0.062 119.977 119.914 0.002 0.000 2.282 166 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 166 V C 2.406 178.503 176.094 0.005 0.000 1.057 166 V CA 1.672 63.974 62.300 0.003 0.000 1.032 166 V CB -0.760 31.065 31.823 0.003 0.000 0.645 166 V HN 0.135 nan 8.190 nan 0.000 0.447 167 V N -0.295 119.622 119.914 0.005 0.000 2.594 167 V HA -0.200 3.920 4.120 -0.000 0.000 0.253 167 V C 2.283 178.382 176.094 0.008 0.000 1.069 167 V CA 1.731 64.035 62.300 0.007 0.000 1.082 167 V CB -0.212 31.615 31.823 0.006 0.000 0.680 167 V HN 0.431 nan 8.190 nan 0.000 0.469 168 V N 0.299 120.217 119.914 0.007 0.000 2.255 168 V HA -0.204 3.916 4.120 -0.000 0.000 0.243 168 V C 2.309 178.409 176.094 0.011 0.000 1.038 168 V CA 2.223 64.528 62.300 0.009 0.000 1.008 168 V CB -0.994 30.833 31.823 0.007 0.000 0.645 168 V HN 0.604 nan 8.190 nan 0.000 0.449 169 N N 0.547 119.252 118.700 0.008 0.000 2.258 169 N HA -0.236 4.504 4.740 -0.000 0.000 0.187 169 N C 1.787 177.305 175.510 0.013 0.000 1.012 169 N CA 1.664 54.719 53.050 0.008 0.000 0.870 169 N CB -0.316 38.173 38.487 0.004 0.000 0.977 169 N HN 0.486 nan 8.380 nan 0.000 0.434 170 K N -0.447 119.961 120.400 0.013 0.000 2.057 170 K HA -0.065 4.254 4.320 -0.000 0.000 0.207 170 K C 1.754 178.368 176.600 0.023 0.000 1.049 170 K CA 1.328 57.625 56.287 0.017 0.000 0.931 170 K CB -0.231 32.278 32.500 0.014 0.000 0.714 170 K HN 0.253 nan 8.250 nan 0.000 0.440 171 A N 0.655 123.488 122.820 0.021 0.000 1.968 171 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 171 A C 2.198 179.803 177.584 0.035 0.000 1.169 171 A CA 1.444 53.496 52.037 0.025 0.000 0.638 171 A CB -0.477 18.535 19.000 0.019 0.000 0.812 171 A HN 0.438 nan 8.150 nan 0.000 0.446 172 A N -0.563 122.277 122.820 0.034 0.000 2.015 172 A HA 0.119 4.439 4.320 -0.000 0.000 0.219 172 A C 2.132 179.760 177.584 0.073 0.000 1.163 172 A CA 1.489 53.553 52.037 0.046 0.000 0.646 172 A CB -0.583 18.434 19.000 0.029 0.000 0.806 172 A HN 0.301 nan 8.150 nan 0.000 0.448 173 V N -0.171 119.779 119.914 0.060 0.000 2.283 173 V HA -0.293 3.827 4.120 -0.000 0.000 0.243 173 V C 2.612 178.774 176.094 0.113 0.000 1.039 173 V CA 2.216 64.566 62.300 0.084 0.000 1.016 173 V CB -0.691 31.165 31.823 0.054 0.000 0.650 173 V HN 0.576 nan 8.190 nan 0.000 0.449 174 M N -0.490 119.152 119.600 0.071 0.000 2.065 174 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 174 M C 2.246 178.577 176.300 0.051 0.000 1.069 174 M CA 1.844 57.176 55.300 0.054 0.000 1.110 174 M CB -0.614 32.008 32.600 0.035 0.000 1.328 174 M HN 0.231 nan 8.290 nan 0.000 0.405 175 V N -0.223 119.723 119.914 0.054 0.000 2.282 175 V HA -0.338 3.782 4.120 -0.000 0.000 0.249 175 V C 2.476 178.597 176.094 0.044 0.000 1.057 175 V CA 2.244 64.570 62.300 0.042 0.000 1.032 175 V CB -1.251 30.599 31.823 0.044 0.000 0.645 175 V HN 0.566 nan 8.190 nan 0.000 0.447 176 H N -0.386 118.683 119.070 -0.001 0.000 2.546 176 H HA -0.116 4.440 4.556 -0.000 0.000 0.277 176 H C 2.135 177.462 175.328 -0.002 0.000 1.004 176 H CA 1.547 57.590 56.048 -0.009 0.000 1.231 176 H CB 0.328 30.088 29.762 -0.002 0.000 1.382 176 H HN 0.474 nan 8.280 nan 0.000 0.580 177 Q N 0.201 119.960 119.800 -0.069 0.000 2.376 177 Q HA 0.052 4.392 4.340 -0.000 0.000 0.206 177 Q C 1.796 177.740 176.000 -0.092 0.000 0.921 177 Q CA 0.307 56.055 55.803 -0.091 0.000 0.911 177 Q CB 0.080 28.829 28.738 0.019 0.000 1.032 177 Q HN 0.353 nan 8.270 nan 0.000 0.510 178 L N 0.158 121.344 121.223 -0.062 0.000 2.240 178 L HA 0.028 4.368 4.340 -0.000 0.000 0.211 178 L C 1.903 178.739 176.870 -0.057 0.000 1.106 178 L CA 1.469 56.285 54.840 -0.040 0.000 0.793 178 L CB -0.511 41.539 42.059 -0.014 0.000 0.927 178 L HN 0.219 nan 8.230 nan 0.000 0.446 179 S N -2.009 113.628 115.700 -0.105 0.000 2.603 179 S HA 0.013 4.483 4.470 -0.000 0.000 0.220 179 S C 1.710 176.238 174.600 -0.119 0.000 0.967 179 S CA 0.023 58.160 58.200 -0.104 0.000 0.920 179 S CB -0.209 62.917 63.200 -0.124 0.000 0.773 179 S HN 0.267 nan 8.310 nan 0.000 0.529 180 K N 1.347 121.669 120.400 -0.130 0.000 2.167 180 K HA 0.086 4.405 4.320 -0.000 0.000 0.203 180 K C 0.950 177.533 176.600 -0.029 0.000 1.052 180 K CA 0.961 57.190 56.287 -0.097 0.000 0.956 180 K CB -0.276 32.165 32.500 -0.098 0.000 0.735 180 K HN 0.569 nan 8.250 nan 0.000 0.451 181 K N 2.356 122.748 120.400 -0.013 0.000 2.240 181 K HA 0.111 4.431 4.320 -0.000 0.000 0.271 181 K C 0.796 177.430 176.600 0.057 0.000 1.018 181 K CA -0.300 55.999 56.287 0.019 0.000 0.874 181 K CB 0.399 32.906 32.500 0.011 0.000 1.098 181 K HN 0.302 nan 8.250 nan 0.000 0.458 182 E N 1.818 122.076 120.200 0.095 0.000 2.187 182 E HA -0.283 4.067 4.350 -0.000 0.000 0.199 182 E C 1.920 178.647 176.600 0.212 0.000 1.004 182 E CA 1.525 58.042 56.400 0.194 0.000 0.813 182 E CB -0.385 29.447 29.700 0.220 0.000 0.736 182 E HN 0.655 nan 8.360 nan 0.000 0.468 183 A N 1.735 124.599 122.820 0.073 0.000 1.849 183 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 183 A C 2.470 180.091 177.584 0.061 0.000 1.202 183 A CA 2.287 54.335 52.037 0.018 0.000 0.629 183 A CB -0.917 18.081 19.000 -0.004 0.000 0.834 183 A HN 0.321 nan 8.150 nan 0.000 0.447 184 S N -1.154 114.578 115.700 0.053 0.000 2.453 184 S HA -0.066 4.404 4.470 -0.000 0.000 0.231 184 S C 1.929 176.567 174.600 0.064 0.000 1.005 184 S CA 0.954 59.181 58.200 0.045 0.000 0.949 184 S CB -0.280 62.931 63.200 0.019 0.000 0.774 184 S HN 0.591 nan 8.310 nan 0.000 0.510 185 R N 0.824 121.378 120.500 0.090 0.000 2.082 185 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 185 R C 2.064 178.394 176.300 0.050 0.000 1.136 185 R CA 1.851 57.984 56.100 0.054 0.000 0.935 185 R CB -0.370 29.964 30.300 0.056 0.000 0.842 185 R HN 0.410 nan 8.270 nan 0.000 0.430 186 H N -0.037 119.033 119.070 0.001 0.000 2.319 186 H HA -0.115 4.441 4.556 -0.000 0.000 0.297 186 H C 1.953 177.278 175.328 -0.004 0.000 1.097 186 H CA 1.834 57.878 56.048 -0.007 0.000 1.285 186 H CB -0.523 29.224 29.762 -0.024 0.000 1.368 186 H HN 0.461 nan 8.280 nan 0.000 0.495 187 A N 0.938 123.836 122.820 0.129 0.000 1.903 187 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 187 A C 2.468 180.077 177.584 0.041 0.000 1.191 187 A CA 2.108 54.184 52.037 0.065 0.000 0.638 187 A CB -0.935 18.091 19.000 0.044 0.000 0.823 187 A HN 0.397 nan 8.150 nan 0.000 0.451 188 I N -0.809 119.779 120.570 0.031 0.000 2.113 188 I HA -0.333 3.837 4.170 -0.000 0.000 0.238 188 I C 2.804 178.925 176.117 0.007 0.000 1.070 188 I CA 1.920 63.228 61.300 0.013 0.000 1.332 188 I CB -0.566 37.435 38.000 0.002 0.000 1.044 188 I HN 0.383 nan 8.210 nan 0.000 0.402 189 M N 0.259 119.855 119.600 -0.006 0.000 2.089 189 M HA -0.230 4.250 4.480 -0.000 0.000 0.257 189 M C 2.061 178.366 176.300 0.007 0.000 1.071 189 M CA 1.721 57.014 55.300 -0.011 0.000 1.096 189 M CB -0.762 31.809 32.600 -0.048 0.000 1.330 189 M HN 0.170 nan 8.290 nan 0.000 0.403 190 R N 0.231 120.742 120.500 0.018 0.000 2.377 190 R HA 0.071 4.411 4.340 -0.000 0.000 0.207 190 R C 0.549 176.862 176.300 0.021 0.000 1.075 190 R CA 0.376 56.491 56.100 0.026 0.000 1.035 190 R CB -0.569 29.754 30.300 0.039 0.000 0.857 190 R HN 0.208 nan 8.270 nan 0.000 0.475 191 S N 0.718 116.429 115.700 0.018 0.000 2.667 191 S HA 0.335 4.805 4.470 -0.000 0.000 0.304 191 S C -2.003 172.605 174.600 0.013 0.000 1.135 191 S CA -1.821 56.388 58.200 0.015 0.000 1.125 191 S CB 1.521 64.729 63.200 0.014 0.000 0.996 191 S HN -0.144 nan 8.310 nan 0.000 0.474 192 P HA -0.157 nan 4.420 nan 0.000 0.217 192 P C 1.000 178.305 177.300 0.008 0.000 1.151 192 P CA 1.272 64.380 63.100 0.012 0.000 0.849 192 P CB 0.164 31.871 31.700 0.012 0.000 0.787 193 Q N -2.136 117.669 119.800 0.008 0.000 2.291 193 Q HA -0.097 4.243 4.340 -0.000 0.000 0.205 193 Q C 2.039 178.043 176.000 0.007 0.000 0.970 193 Q CA 1.164 56.971 55.803 0.006 0.000 0.876 193 Q CB -0.635 28.107 28.738 0.006 0.000 0.935 193 Q HN 0.233 nan 8.270 nan 0.000 0.455 194 M N -0.801 118.804 119.600 0.009 0.000 2.287 194 M HA -0.026 4.454 4.480 -0.000 0.000 0.266 194 M C 1.517 177.822 176.300 0.009 0.000 1.079 194 M CA 1.133 56.439 55.300 0.009 0.000 1.146 194 M CB 0.139 32.745 32.600 0.010 0.000 1.374 194 M HN 0.023 nan 8.290 nan 0.000 0.435 195 V N -0.629 119.290 119.914 0.009 0.000 2.323 195 V HA -0.174 3.946 4.120 -0.000 0.000 0.244 195 V C 2.294 178.392 176.094 0.007 0.000 1.041 195 V CA 1.920 64.225 62.300 0.009 0.000 1.025 195 V CB -1.190 30.641 31.823 0.012 0.000 0.656 195 V HN 0.488 nan 8.190 nan 0.000 0.451 196 S N 0.418 116.120 115.700 0.004 0.000 2.353 196 S HA -0.233 4.237 4.470 -0.000 0.000 0.222 196 S C 2.286 176.887 174.600 0.001 0.000 1.035 196 S CA 1.599 59.798 58.200 -0.001 0.000 1.025 196 S CB -0.729 62.469 63.200 -0.003 0.000 0.902 196 S HN 0.651 nan 8.310 nan 0.000 0.440 197 A N 1.984 124.806 122.820 0.004 0.000 1.873 197 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 197 A C 2.070 179.659 177.584 0.007 0.000 1.269 197 A CA 2.109 54.150 52.037 0.005 0.000 0.671 197 A CB -1.229 17.776 19.000 0.008 0.000 0.842 197 A HN 0.490 nan 8.150 nan 0.000 0.460 198 I N -0.696 119.880 120.570 0.010 0.000 2.091 198 I HA -0.283 3.887 4.170 -0.000 0.000 0.239 198 I C 2.393 178.517 176.117 0.012 0.000 1.061 198 I CA 1.777 63.085 61.300 0.013 0.000 1.317 198 I CB -0.687 37.323 38.000 0.015 0.000 1.031 198 I HN 0.208 nan 8.210 nan 0.000 0.401 199 V N 1.006 120.925 119.914 0.009 0.000 2.380 199 V HA -0.358 3.762 4.120 -0.000 0.000 0.251 199 V C 3.122 179.218 176.094 0.003 0.000 1.063 199 V CA 2.687 64.991 62.300 0.007 0.000 1.055 199 V CB -1.293 30.531 31.823 0.001 0.000 0.657 199 V HN 0.584 nan 8.190 nan 0.000 0.455 200 R N -0.410 120.091 120.500 0.001 0.000 2.115 200 R HA -0.126 4.214 4.340 -0.000 0.000 0.226 200 R C 2.185 178.486 176.300 0.002 0.000 1.100 200 R CA 1.864 57.964 56.100 -0.001 0.000 0.980 200 R CB -1.652 28.647 30.300 -0.002 0.000 0.875 200 R HN 0.631 nan 8.270 nan 0.000 0.445 201 T N 0.477 115.034 114.554 0.005 0.000 2.732 201 T HA -0.081 4.269 4.350 -0.000 0.000 0.261 201 T C 2.073 176.778 174.700 0.007 0.000 1.040 201 T CA 1.348 63.452 62.100 0.006 0.000 1.145 201 T CB -0.312 68.562 68.868 0.009 0.000 0.866 201 T HN 0.392 nan 8.240 nan 0.000 0.427 202 M N 1.116 120.722 119.600 0.011 0.000 2.082 202 M HA -0.243 4.237 4.480 -0.000 0.000 0.258 202 M C 2.480 178.785 176.300 0.009 0.000 1.069 202 M CA 1.869 57.177 55.300 0.013 0.000 1.102 202 M CB -0.371 32.242 32.600 0.021 0.000 1.336 202 M HN 0.310 nan 8.290 nan 0.000 0.404 203 Q N 0.304 120.108 119.800 0.007 0.000 1.975 203 Q HA -0.211 4.129 4.340 -0.000 0.000 0.205 203 Q C 1.601 177.601 176.000 0.001 0.000 0.990 203 Q CA 2.264 58.069 55.803 0.004 0.000 0.845 203 Q CB -0.100 28.638 28.738 0.000 0.000 0.913 203 Q HN 0.610 nan 8.270 nan 0.000 0.420 204 N N 0.277 118.977 118.700 -0.000 0.000 2.270 204 N HA -0.085 4.655 4.740 -0.000 0.000 0.181 204 N C 0.781 176.290 175.510 -0.002 0.000 1.016 204 N CA 0.862 53.911 53.050 -0.002 0.000 0.870 204 N CB -0.569 37.916 38.487 -0.002 0.000 0.979 204 N HN 0.271 nan 8.380 nan 0.000 0.431 205 T N 0.752 115.306 114.554 -0.001 0.000 2.854 205 T HA -0.111 4.239 4.350 -0.000 0.000 0.336 205 T C 0.731 175.428 174.700 -0.005 0.000 1.095 205 T CA 0.522 62.621 62.100 -0.002 0.000 1.118 205 T CB 0.297 69.165 68.868 -0.000 0.000 1.025 205 T HN 0.196 nan 8.240 nan 0.000 0.549 206 N N 1.076 119.772 118.700 -0.006 0.000 2.301 206 N HA 0.179 4.919 4.740 -0.000 0.000 0.247 206 N C -1.553 173.950 175.510 -0.012 0.000 1.347 206 N CA -0.382 52.662 53.050 -0.009 0.000 0.844 206 N CB 0.550 39.032 38.487 -0.009 0.000 1.332 206 N HN 0.606 nan 8.380 nan 0.000 0.494 207 D N 0.041 120.435 120.400 -0.011 0.000 2.303 207 D HA 0.114 4.754 4.640 -0.000 0.000 0.236 207 D C 0.559 176.849 176.300 -0.017 0.000 1.068 207 D CA -0.651 53.341 54.000 -0.013 0.000 0.830 207 D CB 1.558 42.353 40.800 -0.009 0.000 1.109 207 D HN 0.041 nan 8.370 nan 0.000 0.496 208 V N 1.992 121.892 119.914 -0.023 0.000 3.070 208 V HA 0.300 4.420 4.120 -0.000 0.000 0.359 208 V C 0.519 176.594 176.094 -0.031 0.000 1.438 208 V CA 0.353 62.634 62.300 -0.031 0.000 1.571 208 V CB -0.579 31.220 31.823 -0.040 0.000 1.246 208 V HN 0.623 nan 8.190 nan 0.000 0.463 209 E N -0.157 120.028 120.200 -0.025 0.000 2.090 209 E HA 0.036 4.386 4.350 -0.000 0.000 0.208 209 E C 1.587 178.171 176.600 -0.027 0.000 1.032 209 E CA 1.014 57.397 56.400 -0.028 0.000 1.430 209 E CB -0.274 29.411 29.700 -0.025 0.000 3.680 209 E HN 0.418 nan 8.360 nan 0.000 1.007 210 T N 0.234 114.779 114.554 -0.016 0.000 2.951 210 T HA 0.082 4.432 4.350 -0.000 0.000 0.268 210 T C 1.663 176.360 174.700 -0.004 0.000 1.073 210 T CA 1.273 63.367 62.100 -0.009 0.000 1.134 210 T CB -0.143 68.724 68.868 -0.002 0.000 0.884 210 T HN 0.300 nan 8.240 nan 0.000 0.479 211 A N 1.957 124.776 122.820 -0.002 0.000 1.872 211 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 211 A C 2.271 179.874 177.584 0.032 0.000 1.187 211 A CA 1.523 53.567 52.037 0.011 0.000 0.614 211 A CB -0.549 18.452 19.000 0.001 0.000 0.826 211 A HN 0.427 nan 8.150 nan 0.000 0.442 212 R N -0.398 120.115 120.500 0.022 0.000 2.097 212 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 212 R C 2.127 178.455 176.300 0.046 0.000 1.135 212 R CA 2.384 58.528 56.100 0.073 0.000 0.934 212 R CB -0.949 29.358 30.300 0.012 0.000 0.846 212 R HN 0.500 nan 8.270 nan 0.000 0.431 213 C N 0.454 119.693 119.300 -0.101 0.000 2.422 213 C HA -0.066 4.394 4.460 -0.000 0.000 0.279 213 C C 2.901 177.877 174.990 -0.023 0.000 1.305 213 C CA 1.367 60.240 59.018 -0.241 0.000 1.757 213 C CB -1.005 26.633 27.740 -0.169 0.000 1.962 213 C HN 0.786 nan 8.230 nan 0.000 0.499 214 T N 0.027 114.587 114.554 0.011 0.000 2.770 214 T HA 0.001 4.351 4.350 -0.000 0.000 0.263 214 T C 2.051 176.771 174.700 0.034 0.000 1.039 214 T CA 1.400 63.520 62.100 0.033 0.000 1.142 214 T CB -0.563 68.320 68.868 0.026 0.000 0.868 214 T HN 0.465 nan 8.240 nan 0.000 0.435 215 A N 1.981 124.830 122.820 0.049 0.000 1.902 215 A HA 0.222 4.542 4.320 -0.000 0.000 0.217 215 A C 2.714 180.278 177.584 -0.033 0.000 1.181 215 A CA 1.757 53.836 52.037 0.070 0.000 0.623 215 A CB -1.660 17.438 19.000 0.163 0.000 0.818 215 A HN 0.610 nan 8.150 nan 0.000 0.443 216 G N -1.100 107.614 108.800 -0.144 0.000 2.418 216 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.217 216 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.217 216 G C 1.588 176.408 174.900 -0.134 0.000 1.158 216 G CA 1.688 46.471 45.100 -0.528 0.000 0.771 216 G HN 0.430 nan 8.290 nan 0.000 0.545 217 T N 1.962 116.553 114.554 0.060 0.000 2.643 217 T HA -0.157 4.193 4.350 -0.000 0.000 0.264 217 T C 2.342 177.012 174.700 -0.051 0.000 1.045 217 T CA 1.703 63.812 62.100 0.015 0.000 1.155 217 T CB -0.421 68.480 68.868 0.055 0.000 0.863 217 T HN 0.324 nan 8.240 nan 0.000 0.420 218 L N 0.404 121.615 121.223 -0.019 0.000 2.353 218 L HA 0.024 4.364 4.340 -0.000 0.000 0.220 218 L C 2.151 179.008 176.870 -0.021 0.000 1.133 218 L CA 1.710 56.540 54.840 -0.018 0.000 0.798 218 L CB -1.582 40.484 42.059 0.012 0.000 0.922 218 L HN 0.434 nan 8.230 nan 0.000 0.445 219 H N 0.610 119.582 119.070 -0.163 0.000 2.276 219 H HA -0.122 4.434 4.556 -0.000 0.000 0.301 219 H C 1.410 176.511 175.328 -0.377 0.000 1.073 219 H CA 1.406 57.332 56.048 -0.203 0.000 1.311 219 H CB 0.211 29.832 29.762 -0.235 0.000 1.379 219 H HN 0.382 nan 8.280 nan 0.000 0.494 220 N N 0.859 119.258 118.700 -0.501 0.000 2.585 220 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 220 N C 1.803 177.042 175.510 -0.452 0.000 1.102 220 N CA 0.530 53.217 53.050 -0.605 0.000 0.920 220 N CB 0.021 38.309 38.487 -0.330 0.000 0.963 220 N HN 0.493 nan 8.380 nan 0.000 0.447 221 L N 0.107 121.152 121.223 -0.296 0.000 2.416 221 L HA 0.041 4.381 4.340 -0.000 0.000 0.216 221 L C 1.662 178.436 176.870 -0.159 0.000 1.098 221 L CA 0.494 55.232 54.840 -0.169 0.000 0.840 221 L CB -0.184 41.824 42.059 -0.085 0.000 0.981 221 L HN 0.104 nan 8.230 nan 0.000 0.462 222 S N -2.571 113.001 115.700 -0.214 0.000 2.650 222 S HA -0.054 4.416 4.470 -0.000 0.000 0.219 222 S C 1.200 175.772 174.600 -0.047 0.000 0.960 222 S CA 0.031 58.179 58.200 -0.086 0.000 0.925 222 S CB -0.659 62.549 63.200 0.012 0.000 0.775 222 S HN 0.518 nan 8.310 nan 0.000 0.525 223 H N 0.051 119.040 119.070 -0.135 0.000 2.548 223 H HA 0.228 4.784 4.556 -0.000 0.000 0.268 223 H C 0.369 175.447 175.328 -0.416 0.000 0.975 223 H CA 0.392 56.275 56.048 -0.275 0.000 1.195 223 H CB 0.258 29.758 29.762 -0.436 0.000 1.397 223 H HN 0.447 nan 8.280 nan 0.000 0.572 224 H N -0.915 118.200 119.070 0.075 0.000 2.797 224 H HA 0.201 4.757 4.556 -0.000 0.000 0.362 224 H C 0.819 176.145 175.328 -0.004 0.000 1.183 224 H CA -0.718 55.336 56.048 0.011 0.000 1.197 224 H CB 1.886 31.620 29.762 -0.046 0.000 1.835 224 H HN -0.018 nan 8.280 nan 0.000 0.567 225 R N 1.007 121.584 120.500 0.127 0.000 2.062 225 R HA -0.121 4.219 4.340 -0.000 0.000 0.231 225 R C 1.770 178.096 176.300 0.043 0.000 1.136 225 R CA 1.634 57.765 56.100 0.052 0.000 0.948 225 R CB -0.335 29.976 30.300 0.019 0.000 0.845 225 R HN 0.583 nan 8.270 nan 0.000 0.430 226 E N -0.533 119.688 120.200 0.034 0.000 2.268 226 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 226 E C 1.642 178.255 176.600 0.023 0.000 0.995 226 E CA 1.448 57.860 56.400 0.019 0.000 0.836 226 E CB -0.634 29.065 29.700 -0.001 0.000 0.763 226 E HN 0.408 nan 8.360 nan 0.000 0.491 227 G N 0.722 109.541 108.800 0.031 0.000 2.434 227 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.214 227 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.214 227 G C 1.568 176.493 174.900 0.042 0.000 1.202 227 G CA 0.833 45.945 45.100 0.021 0.000 0.788 227 G HN 0.324 nan 8.290 nan 0.000 0.539 228 L N 0.438 121.694 121.223 0.055 0.000 2.081 228 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 228 L C 2.905 179.836 176.870 0.102 0.000 1.080 228 L CA 0.856 55.740 54.840 0.073 0.000 0.754 228 L CB -0.500 41.597 42.059 0.063 0.000 0.893 228 L HN 0.228 nan 8.230 nan 0.000 0.433 229 L N -0.824 120.447 121.223 0.080 0.000 2.056 229 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 229 L C 2.899 179.863 176.870 0.157 0.000 1.078 229 L CA 1.098 56.010 54.840 0.120 0.000 0.749 229 L CB -1.036 41.066 42.059 0.071 0.000 0.901 229 L HN 0.198 nan 8.230 nan 0.000 0.433 230 A N 0.739 123.617 122.820 0.095 0.000 1.902 230 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 230 A C 2.242 179.872 177.584 0.078 0.000 1.181 230 A CA 1.475 53.555 52.037 0.072 0.000 0.623 230 A CB -0.669 18.355 19.000 0.039 0.000 0.818 230 A HN 0.386 nan 8.150 nan 0.000 0.443 231 I N -2.078 118.547 120.570 0.092 0.000 2.676 231 I HA -0.148 4.022 4.170 -0.000 0.000 0.259 231 I C 2.207 178.397 176.117 0.121 0.000 1.194 231 I CA 1.053 62.405 61.300 0.086 0.000 1.473 231 I CB -0.178 37.873 38.000 0.084 0.000 1.096 231 I HN 0.478 nan 8.210 nan 0.000 0.443 232 F N 1.771 121.727 119.950 0.011 0.000 2.262 232 F HA -0.012 4.515 4.527 -0.000 0.000 0.292 232 F C 2.239 178.045 175.800 0.009 0.000 1.081 232 F CA 1.163 59.169 58.000 0.011 0.000 1.355 232 F CB 0.026 39.034 39.000 0.013 0.000 1.069 232 F HN -0.243 nan 8.300 nan 0.000 0.506 233 K N -0.301 120.139 120.400 0.068 0.000 2.439 233 K HA 0.019 4.339 4.320 -0.000 0.000 0.197 233 K C 0.990 177.543 176.600 -0.078 0.000 1.041 233 K CA 0.930 57.200 56.287 -0.029 0.000 0.970 233 K CB -0.102 32.445 32.500 0.079 0.000 0.773 233 K HN 0.109 nan 8.250 nan 0.000 0.479 234 S N 0.272 115.933 115.700 -0.064 0.000 2.561 234 S HA 0.159 4.629 4.470 -0.000 0.000 0.245 234 S C 0.439 174.992 174.600 -0.077 0.000 1.001 234 S CA 0.019 58.187 58.200 -0.053 0.000 1.002 234 S CB 1.064 64.254 63.200 -0.017 0.000 0.805 234 S HN 0.511 nan 8.310 nan 0.000 0.458 235 G N 1.420 110.134 108.800 -0.145 0.000 2.371 235 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.299 235 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.299 235 G C 0.735 175.589 174.900 -0.078 0.000 1.014 235 G CA 0.192 45.208 45.100 -0.141 0.000 1.097 235 G HN 0.639 nan 8.290 nan 0.000 0.512 236 G N -0.849 107.917 108.800 -0.056 0.000 2.683 236 G HA2 0.240 4.200 3.960 -0.000 0.000 0.213 236 G HA3 0.240 4.200 3.960 -0.000 0.000 0.213 236 G C 1.692 176.596 174.900 0.007 0.000 1.142 236 G CA 0.774 45.869 45.100 -0.008 0.000 0.793 236 G HN 0.574 nan 8.290 nan 0.000 0.534 237 I N 1.291 121.862 120.570 0.001 0.000 2.163 237 I HA -0.081 4.089 4.170 -0.000 0.000 0.240 237 I C -0.183 175.942 176.117 0.014 0.000 1.081 237 I CA 1.014 62.331 61.300 0.029 0.000 1.353 237 I CB -0.579 37.452 38.000 0.051 0.000 1.054 237 I HN 0.084 nan 8.210 nan 0.000 0.407 238 P HA -0.204 nan 4.420 nan 0.000 0.216 238 P C 1.372 178.674 177.300 0.003 0.000 1.150 238 P CA 1.891 64.988 63.100 -0.006 0.000 0.843 238 P CB -0.042 31.645 31.700 -0.023 0.000 0.787 239 A N -0.870 121.951 122.820 0.002 0.000 1.930 239 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 239 A C 2.200 179.797 177.584 0.022 0.000 1.175 239 A CA 1.250 53.292 52.037 0.009 0.000 0.627 239 A CB -1.545 17.459 19.000 0.006 0.000 0.815 239 A HN 0.114 nan 8.150 nan 0.000 0.443 240 L N -0.500 120.742 121.223 0.031 0.000 2.093 240 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 240 L C 2.456 179.354 176.870 0.047 0.000 1.085 240 L CA 0.862 55.730 54.840 0.046 0.000 0.755 240 L CB -0.506 41.586 42.059 0.056 0.000 0.904 240 L HN 0.238 nan 8.230 nan 0.000 0.435 241 V N 0.265 120.202 119.914 0.039 0.000 2.490 241 V HA -0.302 3.818 4.120 -0.000 0.000 0.250 241 V C 2.539 178.652 176.094 0.033 0.000 1.061 241 V CA 1.842 64.166 62.300 0.039 0.000 1.064 241 V CB -0.555 31.286 31.823 0.031 0.000 0.670 241 V HN 0.468 nan 8.190 nan 0.000 0.461 242 K N -0.348 120.066 120.400 0.024 0.000 2.148 242 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 242 K C 1.975 178.585 176.600 0.017 0.000 1.050 242 K CA 1.228 57.525 56.287 0.017 0.000 0.942 242 K CB -0.063 32.443 32.500 0.010 0.000 0.724 242 K HN 0.260 nan 8.250 nan 0.000 0.446 243 M N 0.964 120.579 119.600 0.025 0.000 2.619 243 M HA -0.019 4.461 4.480 -0.000 0.000 0.251 243 M C 1.562 177.876 176.300 0.024 0.000 1.106 243 M CA 0.816 56.129 55.300 0.022 0.000 1.086 243 M CB -0.365 32.258 32.600 0.038 0.000 1.465 243 M HN 0.189 nan 8.290 nan 0.000 0.506 244 L N -0.740 120.507 121.223 0.041 0.000 2.549 244 L HA -0.048 4.292 4.340 -0.000 0.000 0.229 244 L C 1.967 178.853 176.870 0.026 0.000 1.158 244 L CA 0.626 55.502 54.840 0.060 0.000 0.842 244 L CB -0.759 41.351 42.059 0.085 0.000 0.952 244 L HN 0.357 nan 8.230 nan 0.000 0.452 245 G N -1.279 107.524 108.800 0.005 0.000 3.126 245 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.224 245 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.224 245 G C 0.653 175.530 174.900 -0.038 0.000 1.142 245 G CA -0.056 45.037 45.100 -0.012 0.000 0.759 245 G HN 0.218 nan 8.290 nan 0.000 0.550 246 S N 1.262 116.931 115.700 -0.050 0.000 2.568 246 S HA 0.262 4.732 4.470 -0.000 0.000 0.282 246 S C -0.851 173.683 174.600 -0.110 0.000 1.338 246 S CA -0.737 57.418 58.200 -0.074 0.000 1.045 246 S CB 1.489 64.639 63.200 -0.083 0.000 0.873 246 S HN 0.115 nan 8.310 nan 0.000 0.516 247 P HA 0.177 nan 4.420 nan 0.000 0.261 247 P C -0.607 176.594 177.300 -0.164 0.000 1.268 247 P CA 0.047 63.073 63.100 -0.122 0.000 0.833 247 P CB 0.037 31.684 31.700 -0.087 0.000 1.231 248 V N 1.859 121.663 119.914 -0.182 0.000 2.318 248 V HA 0.119 4.239 4.120 -0.000 0.000 0.271 248 V C 1.356 177.227 176.094 -0.371 0.000 1.030 248 V CA -0.289 61.875 62.300 -0.226 0.000 0.844 248 V CB 0.839 32.563 31.823 -0.165 0.000 1.015 248 V HN -0.085 nan 8.190 nan 0.000 0.460 249 D N 2.672 122.761 120.400 -0.518 0.000 2.154 249 D HA -0.194 4.446 4.640 -0.000 0.000 0.190 249 D C 2.123 177.706 176.300 -1.196 0.000 1.003 249 D CA 2.171 55.552 54.000 -1.031 0.000 0.849 249 D CB 0.062 40.227 40.800 -1.057 0.000 0.942 249 D HN 0.593 nan 8.370 nan 0.000 0.446 250 S N 0.256 115.538 115.700 -0.697 0.000 2.369 250 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 250 S C 2.412 176.735 174.600 -0.462 0.000 1.043 250 S CA 1.302 59.169 58.200 -0.555 0.000 1.074 250 S CB -0.637 62.333 63.200 -0.383 0.000 0.962 250 S HN 0.114 nan 8.310 nan 0.000 0.433 251 V N 2.157 121.917 119.914 -0.257 0.000 2.282 251 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 251 V C 2.279 178.336 176.094 -0.061 0.000 1.057 251 V CA 1.721 63.984 62.300 -0.062 0.000 1.032 251 V CB -0.788 30.998 31.823 -0.062 0.000 0.645 251 V HN 0.393 nan 8.190 nan 0.000 0.447 252 L N -1.227 119.867 121.223 -0.214 0.000 1.989 252 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 252 L C 2.460 179.399 176.870 0.116 0.000 1.071 252 L CA 2.122 56.886 54.840 -0.126 0.000 0.749 252 L CB -0.572 41.267 42.059 -0.367 0.000 0.890 252 L HN 0.292 nan 8.230 nan 0.000 0.431 253 F N -1.260 118.684 119.950 -0.010 0.000 2.069 253 F HA -0.347 4.180 4.527 -0.000 0.000 0.298 253 F C 2.476 178.309 175.800 0.056 0.000 1.113 253 F CA 1.168 59.192 58.000 0.040 0.000 1.214 253 F CB -0.674 38.269 39.000 -0.094 0.000 0.978 253 F HN 0.044 nan 8.300 nan 0.000 0.474 254 Y N 0.028 120.414 120.300 0.143 0.000 2.256 254 Y HA -0.301 4.249 4.550 -0.000 0.000 0.288 254 Y C 2.531 178.394 175.900 -0.063 0.000 1.155 254 Y CA 0.188 58.266 58.100 -0.038 0.000 1.203 254 Y CB -0.365 38.132 38.460 0.060 0.000 0.980 254 Y HN 0.099 nan 8.280 nan 0.000 0.530 255 A N -0.098 122.841 122.820 0.198 0.000 1.874 255 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 255 A C 1.996 179.650 177.584 0.117 0.000 1.189 255 A CA 1.227 53.345 52.037 0.134 0.000 0.615 255 A CB -0.720 18.354 19.000 0.124 0.000 0.830 255 A HN 0.386 nan 8.150 nan 0.000 0.443 256 I N -0.157 120.509 120.570 0.161 0.000 2.493 256 I HA -0.113 4.057 4.170 -0.000 0.000 0.254 256 I C 2.214 178.362 176.117 0.051 0.000 1.160 256 I CA 1.754 63.115 61.300 0.102 0.000 1.445 256 I CB -0.300 37.745 38.000 0.074 0.000 1.086 256 I HN 0.266 nan 8.210 nan 0.000 0.433 257 T N -0.460 114.107 114.554 0.022 0.000 2.812 257 T HA -0.104 4.246 4.350 -0.000 0.000 0.264 257 T C 1.765 176.491 174.700 0.044 0.000 1.042 257 T CA 1.936 64.025 62.100 -0.018 0.000 1.140 257 T CB -0.269 68.497 68.868 -0.170 0.000 0.870 257 T HN 0.348 nan 8.240 nan 0.000 0.445 258 T N 2.463 117.022 114.554 0.009 0.000 2.777 258 T HA 0.114 4.464 4.350 -0.000 0.000 0.266 258 T C 1.992 176.742 174.700 0.083 0.000 1.040 258 T CA 0.718 62.862 62.100 0.073 0.000 1.141 258 T CB -0.355 68.551 68.868 0.063 0.000 0.868 258 T HN 0.221 nan 8.240 nan 0.000 0.444 259 L N 0.197 121.466 121.223 0.078 0.000 2.046 259 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 259 L C 2.709 179.617 176.870 0.064 0.000 1.077 259 L CA 1.397 56.279 54.840 0.070 0.000 0.747 259 L CB -0.655 41.445 42.059 0.068 0.000 0.896 259 L HN 0.427 nan 8.230 nan 0.000 0.432 260 H N 0.769 119.826 119.070 -0.022 0.000 2.352 260 H HA -0.169 4.387 4.556 -0.000 0.000 0.299 260 H C 1.919 177.200 175.328 -0.078 0.000 1.097 260 H CA 2.143 58.159 56.048 -0.053 0.000 1.311 260 H CB 0.087 29.819 29.762 -0.050 0.000 1.377 260 H HN 0.470 nan 8.280 nan 0.000 0.504 261 N N 0.044 118.782 118.700 0.063 0.000 2.120 261 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 261 N C 2.221 177.676 175.510 -0.092 0.000 1.024 261 N CA 0.896 53.943 53.050 -0.005 0.000 0.852 261 N CB 0.050 38.625 38.487 0.146 0.000 1.003 261 N HN 0.242 nan 8.380 nan 0.000 0.424 262 L N 0.814 122.022 121.223 -0.025 0.000 2.093 262 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 262 L C 2.154 178.968 176.870 -0.093 0.000 1.085 262 L CA 0.739 55.568 54.840 -0.018 0.000 0.755 262 L CB -0.296 41.793 42.059 0.050 0.000 0.904 262 L HN 0.195 nan 8.230 nan 0.000 0.435 263 L N -0.739 120.404 121.223 -0.133 0.000 2.017 263 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 263 L C 2.476 179.194 176.870 -0.253 0.000 1.073 263 L CA 1.297 56.035 54.840 -0.169 0.000 0.745 263 L CB -0.435 41.513 42.059 -0.184 0.000 0.894 263 L HN 0.233 nan 8.230 nan 0.000 0.432 264 L N -1.129 119.839 121.223 -0.425 0.000 2.083 264 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 264 L C 2.235 178.833 176.870 -0.453 0.000 1.083 264 L CA 1.061 55.563 54.840 -0.563 0.000 0.752 264 L CB -0.418 41.087 42.059 -0.923 0.000 0.899 264 L HN 0.476 nan 8.230 nan 0.000 0.433 265 H N -2.992 116.029 119.070 -0.080 0.000 3.255 265 H HA 0.171 4.727 4.556 -0.000 0.000 0.256 265 H C 0.332 175.603 175.328 -0.095 0.000 1.049 265 H CA -0.182 55.825 56.048 -0.068 0.000 1.202 265 H CB 0.365 30.105 29.762 -0.037 0.000 1.497 265 H HN 0.139 nan 8.280 nan 0.000 0.503 266 Q N 3.169 122.947 119.800 -0.036 0.000 2.322 266 Q HA 0.125 4.465 4.340 -0.000 0.000 0.256 266 Q C -0.154 175.698 176.000 -0.247 0.000 0.960 266 Q CA -0.480 55.225 55.803 -0.164 0.000 0.934 266 Q CB 0.728 29.345 28.738 -0.202 0.000 1.200 266 Q HN 0.447 nan 8.270 nan 0.000 0.435 267 E N 2.970 123.011 120.200 -0.264 0.000 2.392 267 E HA 0.327 4.677 4.350 -0.000 0.000 0.264 267 E C 0.416 176.783 176.600 -0.389 0.000 1.024 267 E CA 0.273 56.535 56.400 -0.229 0.000 0.903 267 E CB 0.429 30.034 29.700 -0.160 0.000 0.963 267 E HN 0.855 nan 8.360 nan 0.000 0.432 268 G N 2.378 111.070 108.800 -0.180 0.000 2.241 268 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.244 268 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.244 268 G C 1.014 176.001 174.900 0.145 0.000 0.998 268 G CA 0.500 45.588 45.100 -0.019 0.000 0.621 268 G HN 0.913 nan 8.290 nan 0.000 0.519 269 A N 0.525 123.336 122.820 -0.015 0.000 1.845 269 A HA 0.074 4.394 4.320 -0.000 0.000 0.215 269 A C 2.144 179.784 177.584 0.093 0.000 1.195 269 A CA 2.427 54.533 52.037 0.115 0.000 0.616 269 A CB -0.571 18.432 19.000 0.005 0.000 0.832 269 A HN 0.505 nan 8.150 nan 0.000 0.443 270 K N -1.308 119.109 120.400 0.030 0.000 2.034 270 K HA -0.232 4.087 4.320 -0.000 0.000 0.214 270 K C 2.189 178.816 176.600 0.045 0.000 1.051 270 K CA 2.062 58.364 56.287 0.024 0.000 0.931 270 K CB -0.303 32.201 32.500 0.007 0.000 0.715 270 K HN 0.596 nan 8.250 nan 0.000 0.446 271 M N 0.027 119.663 119.600 0.060 0.000 2.229 271 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 271 M C 2.055 178.397 176.300 0.070 0.000 1.063 271 M CA 1.478 56.815 55.300 0.060 0.000 1.114 271 M CB -0.033 32.607 32.600 0.066 0.000 1.387 271 M HN 0.213 nan 8.290 nan 0.000 0.420 272 A N -0.508 122.379 122.820 0.112 0.000 1.873 272 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 272 A C 1.979 179.598 177.584 0.059 0.000 1.186 272 A CA 1.609 53.701 52.037 0.092 0.000 0.616 272 A CB -1.006 18.089 19.000 0.158 0.000 0.823 272 A HN 0.373 nan 8.150 nan 0.000 0.442 273 V N 0.127 120.080 119.914 0.065 0.000 2.407 273 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 273 V C 2.631 178.745 176.094 0.032 0.000 1.055 273 V CA 2.239 64.567 62.300 0.045 0.000 1.049 273 V CB -0.848 31.000 31.823 0.041 0.000 0.662 273 V HN 0.515 nan 8.190 nan 0.000 0.455 274 R N -0.644 119.875 120.500 0.031 0.000 2.092 274 R HA -0.029 4.311 4.340 -0.000 0.000 0.231 274 R C 2.323 178.634 176.300 0.019 0.000 1.119 274 R CA 1.124 57.237 56.100 0.022 0.000 0.970 274 R CB -0.321 29.991 30.300 0.020 0.000 0.864 274 R HN 0.389 nan 8.270 nan 0.000 0.440 275 L N 0.282 121.517 121.223 0.020 0.000 2.093 275 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 275 L C 1.992 178.867 176.870 0.009 0.000 1.085 275 L CA 1.113 55.960 54.840 0.012 0.000 0.755 275 L CB -0.325 41.740 42.059 0.010 0.000 0.904 275 L HN 0.232 nan 8.230 nan 0.000 0.435 276 A N -0.640 122.187 122.820 0.012 0.000 2.235 276 A HA 0.186 4.506 4.320 -0.000 0.000 0.208 276 A C 1.458 179.050 177.584 0.014 0.000 1.172 276 A CA 0.702 52.745 52.037 0.010 0.000 0.786 276 A CB -0.647 18.360 19.000 0.012 0.000 0.804 276 A HN 0.582 nan 8.150 nan 0.000 0.479 277 G N -1.595 107.214 108.800 0.015 0.000 2.225 277 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.264 277 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.264 277 G C 1.037 175.950 174.900 0.021 0.000 1.060 277 G CA 0.514 45.623 45.100 0.016 0.000 0.833 277 G HN 1.178 nan 8.290 nan 0.000 0.498 278 G N -0.266 108.549 108.800 0.024 0.000 2.408 278 G HA2 0.043 4.003 3.960 -0.000 0.000 0.217 278 G HA3 0.043 4.003 3.960 -0.000 0.000 0.217 278 G C 1.829 176.746 174.900 0.030 0.000 1.150 278 G CA 1.163 46.281 45.100 0.030 0.000 0.776 278 G HN 0.616 nan 8.290 nan 0.000 0.542 279 L N -0.008 121.229 121.223 0.024 0.000 1.994 279 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 279 L C 3.203 180.088 176.870 0.026 0.000 1.071 279 L CA 1.428 56.282 54.840 0.022 0.000 0.745 279 L CB -0.629 41.440 42.059 0.016 0.000 0.892 279 L HN 0.164 nan 8.230 nan 0.000 0.431 280 Q N 0.353 120.168 119.800 0.024 0.000 2.077 280 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 280 Q C 2.154 178.174 176.000 0.033 0.000 0.989 280 Q CA 1.628 57.446 55.803 0.025 0.000 0.853 280 Q CB -0.331 28.420 28.738 0.020 0.000 0.907 280 Q HN 0.364 nan 8.270 nan 0.000 0.418 281 K N -0.117 120.304 120.400 0.036 0.000 2.025 281 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 281 K C 2.189 178.828 176.600 0.065 0.000 1.049 281 K CA 1.343 57.658 56.287 0.046 0.000 0.933 281 K CB -0.229 32.298 32.500 0.045 0.000 0.714 281 K HN 0.214 nan 8.250 nan 0.000 0.438 282 M N 0.620 120.256 119.600 0.060 0.000 2.106 282 M HA -0.213 4.267 4.480 -0.000 0.000 0.259 282 M C 2.127 178.469 176.300 0.069 0.000 1.068 282 M CA 1.487 56.826 55.300 0.066 0.000 1.100 282 M CB -0.176 32.445 32.600 0.035 0.000 1.351 282 M HN -0.064 nan 8.290 nan 0.000 0.404 283 V N -0.303 119.643 119.914 0.053 0.000 2.626 283 V HA -0.193 3.927 4.120 -0.000 0.000 0.252 283 V C 2.407 178.540 176.094 0.065 0.000 1.067 283 V CA 1.666 63.997 62.300 0.052 0.000 1.081 283 V CB -1.087 30.759 31.823 0.038 0.000 0.686 283 V HN 0.540 nan 8.190 nan 0.000 0.468 284 A N -0.302 122.557 122.820 0.064 0.000 2.015 284 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 284 A C 2.017 179.651 177.584 0.084 0.000 1.163 284 A CA 1.202 53.275 52.037 0.061 0.000 0.646 284 A CB -0.407 18.621 19.000 0.047 0.000 0.806 284 A HN 0.526 nan 8.150 nan 0.000 0.448 285 L N -0.188 121.112 121.223 0.128 0.000 2.610 285 L HA 0.076 4.416 4.340 -0.000 0.000 0.232 285 L C 1.443 178.466 176.870 0.254 0.000 1.149 285 L CA -0.029 54.939 54.840 0.214 0.000 0.872 285 L CB -0.178 42.115 42.059 0.390 0.000 0.992 285 L HN 0.356 nan 8.230 nan 0.000 0.447 286 L N 0.381 121.700 121.223 0.160 0.000 2.610 286 L HA -0.087 4.253 4.340 -0.000 0.000 0.232 286 L C 1.517 178.473 176.870 0.144 0.000 1.149 286 L CA 0.442 55.368 54.840 0.142 0.000 0.872 286 L CB -0.419 41.700 42.059 0.100 0.000 0.992 286 L HN 0.530 nan 8.230 nan 0.000 0.447 287 N N -1.577 117.198 118.700 0.126 0.000 2.336 287 N HA -0.029 4.711 4.740 -0.000 0.000 0.189 287 N C 0.409 175.984 175.510 0.109 0.000 1.113 287 N CA -0.012 53.104 53.050 0.110 0.000 0.858 287 N CB 0.103 38.634 38.487 0.073 0.000 0.970 287 N HN -0.058 nan 8.380 nan 0.000 0.471 288 K N 0.514 120.985 120.400 0.119 0.000 2.295 288 K HA 0.063 4.383 4.320 -0.000 0.000 0.270 288 K C 0.935 177.595 176.600 0.099 0.000 1.011 288 K CA 0.333 56.665 56.287 0.076 0.000 0.953 288 K CB 0.874 33.390 32.500 0.028 0.000 0.956 288 K HN 0.370 nan 8.250 nan 0.000 0.477 289 T N -2.191 112.404 114.554 0.070 0.000 3.107 289 T HA 0.001 4.351 4.350 -0.000 0.000 0.249 289 T C 0.564 175.266 174.700 0.003 0.000 1.096 289 T CA -0.214 61.934 62.100 0.079 0.000 1.012 289 T CB -0.054 68.872 68.868 0.096 0.000 0.977 289 T HN 0.301 nan 8.240 nan 0.000 0.527 290 N N 2.535 121.244 118.700 0.015 0.000 2.558 290 N HA 0.120 4.860 4.740 -0.000 0.000 0.233 290 N C 1.608 177.075 175.510 -0.072 0.000 1.038 290 N CA -0.045 52.998 53.050 -0.012 0.000 0.934 290 N CB 1.534 40.070 38.487 0.081 0.000 1.175 290 N HN 0.233 nan 8.380 nan 0.000 0.512 291 V N 2.582 122.354 119.914 -0.237 0.000 2.439 291 V HA -0.244 3.876 4.120 -0.000 0.000 0.253 291 V C 1.970 177.963 176.094 -0.169 0.000 1.074 291 V CA 1.524 63.642 62.300 -0.303 0.000 1.076 291 V CB -0.494 31.098 31.823 -0.385 0.000 0.664 291 V HN 0.454 nan 8.190 nan 0.000 0.461 292 K N -0.467 119.805 120.400 -0.213 0.000 2.097 292 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 292 K C 1.940 178.468 176.600 -0.120 0.000 1.050 292 K CA 1.652 57.857 56.287 -0.136 0.000 0.938 292 K CB -0.355 32.020 32.500 -0.209 0.000 0.718 292 K HN 0.602 nan 8.250 nan 0.000 0.442 293 F N 1.682 121.508 119.950 -0.207 0.000 2.102 293 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 293 F C 1.632 177.397 175.800 -0.058 0.000 1.105 293 F CA 1.301 59.228 58.000 -0.122 0.000 1.239 293 F CB -0.212 38.796 39.000 0.013 0.000 0.991 293 F HN -0.101 nan 8.300 nan 0.000 0.474 294 L N 0.045 121.201 121.223 -0.113 0.000 2.079 294 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 294 L C 2.803 179.562 176.870 -0.185 0.000 1.081 294 L CA 1.180 55.928 54.840 -0.153 0.000 0.752 294 L CB -1.231 40.781 42.059 -0.079 0.000 0.896 294 L HN 0.333 nan 8.230 nan 0.000 0.433 295 A N 0.369 123.116 122.820 -0.122 0.000 1.877 295 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 295 A C 2.056 179.539 177.584 -0.169 0.000 1.186 295 A CA 1.469 53.463 52.037 -0.072 0.000 0.620 295 A CB -0.439 18.594 19.000 0.056 0.000 0.822 295 A HN 0.287 nan 8.150 nan 0.000 0.443 296 I N 0.110 120.516 120.570 -0.273 0.000 2.439 296 I HA -0.130 4.040 4.170 -0.000 0.000 0.251 296 I C 2.419 178.360 176.117 -0.294 0.000 1.139 296 I CA 1.743 62.829 61.300 -0.357 0.000 1.438 296 I CB -2.153 35.602 38.000 -0.408 0.000 1.085 296 I HN 0.222 nan 8.210 nan 0.000 0.427 297 T N 1.105 115.405 114.554 -0.425 0.000 2.674 297 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 297 T C 2.006 176.611 174.700 -0.158 0.000 1.039 297 T CA 2.383 64.275 62.100 -0.347 0.000 1.150 297 T CB -0.543 68.006 68.868 -0.532 0.000 0.864 297 T HN 0.559 nan 8.240 nan 0.000 0.427 298 T N 0.638 115.107 114.554 -0.140 0.000 2.720 298 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 298 T C 1.721 176.378 174.700 -0.072 0.000 1.037 298 T CA 1.798 63.849 62.100 -0.081 0.000 1.144 298 T CB -0.682 68.143 68.868 -0.071 0.000 0.864 298 T HN 0.282 nan 8.240 nan 0.000 0.444 299 D N 0.022 120.379 120.400 -0.071 0.000 2.263 299 D HA -0.029 4.611 4.640 -0.000 0.000 0.208 299 D C 1.945 178.252 176.300 0.012 0.000 0.971 299 D CA 0.625 54.606 54.000 -0.032 0.000 0.867 299 D CB -0.535 40.302 40.800 0.061 0.000 0.929 299 D HN 0.524 nan 8.370 nan 0.000 0.492 300 C N -0.428 118.890 119.300 0.030 0.000 2.466 300 C HA 0.036 4.496 4.460 -0.000 0.000 0.278 300 C C 2.688 177.671 174.990 -0.012 0.000 1.288 300 C CA 0.091 59.121 59.018 0.020 0.000 1.722 300 C CB -1.022 26.733 27.740 0.025 0.000 2.017 300 C HN 0.424 nan 8.230 nan 0.000 0.488 301 L N 0.571 121.784 121.223 -0.017 0.000 2.131 301 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 301 L C 2.875 179.738 176.870 -0.011 0.000 1.092 301 L CA 1.253 56.086 54.840 -0.011 0.000 0.759 301 L CB -0.740 41.312 42.059 -0.011 0.000 0.903 301 L HN 0.437 nan 8.230 nan 0.000 0.435 302 Q N 0.634 120.417 119.800 -0.029 0.000 2.172 302 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 302 Q C 2.166 178.163 176.000 -0.005 0.000 0.964 302 Q CA 1.399 57.185 55.803 -0.029 0.000 0.855 302 Q CB 0.133 28.817 28.738 -0.090 0.000 0.918 302 Q HN 0.570 nan 8.270 nan 0.000 0.444 303 I N 0.237 120.785 120.570 -0.037 0.000 2.500 303 I HA -0.211 3.958 4.170 -0.000 0.000 0.252 303 I C 2.070 178.191 176.117 0.007 0.000 1.142 303 I CA 0.404 61.678 61.300 -0.043 0.000 1.451 303 I CB -0.039 37.896 38.000 -0.109 0.000 1.093 303 I HN 0.121 nan 8.210 nan 0.000 0.430 304 L N 0.414 121.640 121.223 0.005 0.000 2.095 304 L HA -0.034 4.306 4.340 -0.000 0.000 0.204 304 L C 2.777 179.663 176.870 0.028 0.000 1.080 304 L CA 1.108 55.956 54.840 0.014 0.000 0.759 304 L CB -0.542 41.521 42.059 0.007 0.000 0.914 304 L HN 0.165 nan 8.230 nan 0.000 0.439 305 A N -0.864 121.974 122.820 0.030 0.000 1.929 305 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 305 A C 0.947 178.546 177.584 0.025 0.000 1.176 305 A CA 0.188 52.237 52.037 0.020 0.000 0.628 305 A CB -0.689 18.318 19.000 0.012 0.000 0.816 305 A HN 0.321 nan 8.150 nan 0.000 0.444 306 Y N 1.464 121.736 120.300 -0.047 0.000 2.916 306 Y HA 0.204 4.754 4.550 -0.000 0.000 0.344 306 Y C 1.372 177.247 175.900 -0.042 0.000 1.282 306 Y CA 0.686 58.757 58.100 -0.050 0.000 1.604 306 Y CB -0.276 38.148 38.460 -0.058 0.000 1.207 306 Y HN 0.626 nan 8.280 nan 0.000 0.561 307 G N 4.767 113.197 108.800 -0.616 0.000 2.305 307 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.287 307 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.287 307 G C -0.206 174.594 174.900 -0.165 0.000 1.036 307 G CA 0.386 45.239 45.100 -0.411 0.000 0.887 307 G HN 0.853 nan 8.290 nan 0.000 0.505 308 N N -0.503 118.124 118.700 -0.121 0.000 2.594 308 N HA 0.265 5.004 4.740 -0.000 0.000 0.280 308 N C 0.968 176.444 175.510 -0.056 0.000 1.156 308 N CA -0.306 52.707 53.050 -0.063 0.000 0.831 308 N CB 1.416 39.886 38.487 -0.028 0.000 1.379 308 N HN 0.174 nan 8.380 nan 0.000 0.536 309 Q N 2.182 121.949 119.800 -0.055 0.000 2.079 309 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 309 Q C 1.095 177.078 176.000 -0.028 0.000 0.974 309 Q CA 1.757 57.533 55.803 -0.044 0.000 0.840 309 Q CB 0.261 28.974 28.738 -0.042 0.000 0.898 309 Q HN 0.533 nan 8.270 nan 0.000 0.430 310 E N 0.071 120.258 120.200 -0.022 0.000 2.021 310 E HA -0.173 4.177 4.350 -0.000 0.000 0.200 310 E C 2.125 178.719 176.600 -0.010 0.000 1.015 310 E CA 1.654 58.046 56.400 -0.013 0.000 0.824 310 E CB -0.730 28.964 29.700 -0.010 0.000 0.762 310 E HN 0.300 nan 8.360 nan 0.000 0.454 311 S N 1.009 116.704 115.700 -0.009 0.000 2.420 311 S HA -0.155 4.315 4.470 -0.000 0.000 0.237 311 S C 1.797 176.394 174.600 -0.005 0.000 1.023 311 S CA 1.145 59.343 58.200 -0.003 0.000 0.991 311 S CB -0.105 63.094 63.200 -0.001 0.000 0.792 311 S HN 0.226 nan 8.310 nan 0.000 0.488 312 K N 0.645 121.037 120.400 -0.013 0.000 2.062 312 K HA 0.097 4.417 4.320 -0.000 0.000 0.205 312 K C 1.954 178.550 176.600 -0.008 0.000 1.051 312 K CA 0.810 57.089 56.287 -0.013 0.000 0.941 312 K CB -0.269 32.215 32.500 -0.026 0.000 0.719 312 K HN 0.316 nan 8.250 nan 0.000 0.440 313 L N 0.800 122.018 121.223 -0.009 0.000 2.141 313 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 313 L C 2.279 179.149 176.870 -0.000 0.000 1.094 313 L CA 0.859 55.696 54.840 -0.005 0.000 0.763 313 L CB -0.239 41.816 42.059 -0.006 0.000 0.908 313 L HN 0.151 nan 8.230 nan 0.000 0.437 314 I N -0.314 120.256 120.570 0.001 0.000 2.353 314 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 314 I C 2.344 178.465 176.117 0.008 0.000 1.119 314 I CA 1.271 62.574 61.300 0.005 0.000 1.417 314 I CB -0.022 37.981 38.000 0.006 0.000 1.078 314 I HN 0.165 nan 8.210 nan 0.000 0.421 315 I N 0.048 120.623 120.570 0.007 0.000 2.142 315 I HA -0.319 3.851 4.170 -0.000 0.000 0.240 315 I C 2.498 178.622 176.117 0.012 0.000 1.078 315 I CA 1.128 62.434 61.300 0.011 0.000 1.343 315 I CB -0.383 37.623 38.000 0.009 0.000 1.046 315 I HN 0.216 nan 8.210 nan 0.000 0.405 316 L N 1.458 122.686 121.223 0.008 0.000 2.013 316 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 316 L C 2.481 179.357 176.870 0.010 0.000 1.073 316 L CA 2.288 57.134 54.840 0.009 0.000 0.753 316 L CB -0.934 41.127 42.059 0.005 0.000 0.890 316 L HN 0.229 nan 8.230 nan 0.000 0.432 317 A N -2.095 120.730 122.820 0.008 0.000 2.121 317 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 317 A C 2.106 179.697 177.584 0.011 0.000 1.154 317 A CA 1.470 53.512 52.037 0.008 0.000 0.679 317 A CB -0.573 18.431 19.000 0.006 0.000 0.795 317 A HN 0.522 nan 8.150 nan 0.000 0.458 318 S N -1.362 114.346 115.700 0.014 0.000 2.597 318 S HA 0.385 4.855 4.470 -0.000 0.000 0.224 318 S C 1.308 175.920 174.600 0.020 0.000 0.955 318 S CA 0.556 58.766 58.200 0.017 0.000 0.933 318 S CB 0.091 63.303 63.200 0.020 0.000 0.788 318 S HN 1.511 nan 8.310 nan 0.000 0.488 319 G N 1.234 110.046 108.800 0.019 0.000 2.148 319 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.254 319 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.254 319 G C 0.936 175.851 174.900 0.026 0.000 0.981 319 G CA 0.280 45.393 45.100 0.022 0.000 0.670 319 G HN 0.607 nan 8.290 nan 0.000 0.528 320 G N 1.162 109.977 108.800 0.025 0.000 2.529 320 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.219 320 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.219 320 G C 0.171 175.089 174.900 0.030 0.000 1.177 320 G CA 1.903 47.020 45.100 0.028 0.000 0.773 320 G HN 0.548 nan 8.290 nan 0.000 0.573 321 P HA -0.200 nan 4.420 nan 0.000 0.213 321 P C 1.884 179.204 177.300 0.033 0.000 1.176 321 P CA 2.228 65.344 63.100 0.027 0.000 0.919 321 P CB -0.267 31.446 31.700 0.022 0.000 0.791 322 Q N -0.391 119.427 119.800 0.031 0.000 2.368 322 Q HA -0.123 4.217 4.340 -0.000 0.000 0.210 322 Q C 1.774 177.799 176.000 0.042 0.000 0.982 322 Q CA 2.194 58.017 55.803 0.033 0.000 0.884 322 Q CB -1.411 27.343 28.738 0.027 0.000 0.933 322 Q HN 0.181 nan 8.270 nan 0.000 0.460 323 A N 0.768 123.617 122.820 0.047 0.000 1.878 323 A HA 0.108 4.428 4.320 -0.000 0.000 0.213 323 A C 2.090 179.719 177.584 0.075 0.000 1.192 323 A CA 0.871 52.946 52.037 0.062 0.000 0.619 323 A CB -0.541 18.496 19.000 0.061 0.000 0.837 323 A HN 0.353 nan 8.150 nan 0.000 0.446 324 L N -0.208 121.053 121.223 0.063 0.000 2.046 324 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 324 L C 2.418 179.335 176.870 0.078 0.000 1.077 324 L CA 0.987 55.868 54.840 0.068 0.000 0.747 324 L CB -0.592 41.495 42.059 0.047 0.000 0.896 324 L HN 0.212 nan 8.230 nan 0.000 0.432 325 V N 0.400 120.353 119.914 0.064 0.000 2.568 325 V HA -0.290 3.830 4.120 -0.000 0.000 0.253 325 V C 2.249 178.385 176.094 0.070 0.000 1.072 325 V CA 1.986 64.325 62.300 0.065 0.000 1.084 325 V CB -0.794 31.058 31.823 0.048 0.000 0.676 325 V HN 0.606 nan 8.190 nan 0.000 0.469 326 N N 0.030 118.772 118.700 0.070 0.000 2.416 326 N HA -0.026 4.714 4.740 -0.000 0.000 0.177 326 N C 1.786 177.345 175.510 0.081 0.000 1.036 326 N CA 0.716 53.801 53.050 0.059 0.000 0.901 326 N CB 0.130 38.648 38.487 0.052 0.000 0.976 326 N HN 0.469 nan 8.380 nan 0.000 0.444 327 I N 0.943 121.600 120.570 0.145 0.000 2.252 327 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 327 I C 1.957 178.201 176.117 0.211 0.000 1.102 327 I CA 0.749 62.206 61.300 0.262 0.000 1.385 327 I CB -0.104 38.044 38.000 0.246 0.000 1.064 327 I HN 0.124 nan 8.210 nan 0.000 0.414 328 M N 0.109 119.806 119.600 0.161 0.000 2.460 328 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 328 M C 2.100 178.551 176.300 0.251 0.000 1.071 328 M CA 1.452 56.878 55.300 0.210 0.000 1.096 328 M CB -1.164 31.553 32.600 0.195 0.000 1.408 328 M HN 0.260 nan 8.290 nan 0.000 0.463 329 R N -1.025 119.540 120.500 0.109 0.000 2.090 329 R HA 0.051 4.391 4.340 -0.000 0.000 0.219 329 R C 2.090 178.376 176.300 -0.024 0.000 1.100 329 R CA 1.303 57.427 56.100 0.039 0.000 0.991 329 R CB -0.295 30.005 30.300 -0.001 0.000 0.893 329 R HN 0.279 nan 8.270 nan 0.000 0.443 330 T N -0.028 114.441 114.554 -0.142 0.000 2.901 330 T HA 0.036 4.386 4.350 -0.000 0.000 0.252 330 T C 0.019 174.457 174.700 -0.438 0.000 1.035 330 T CA 0.873 62.744 62.100 -0.381 0.000 1.142 330 T CB -0.069 68.360 68.868 -0.731 0.000 0.869 330 T HN -0.023 nan 8.240 nan 0.000 0.442 331 Y N 1.849 122.208 120.300 0.098 0.000 2.301 331 Y HA 0.335 4.885 4.550 -0.000 0.000 0.325 331 Y C 1.724 177.691 175.900 0.110 0.000 1.203 331 Y CA -0.858 57.302 58.100 0.099 0.000 1.255 331 Y CB 0.567 39.088 38.460 0.101 0.000 1.232 331 Y HN 0.046 nan 8.280 nan 0.000 0.501 332 T N -2.304 112.423 114.554 0.288 0.000 3.044 332 T HA 0.078 4.428 4.350 -0.000 0.000 0.260 332 T C -0.285 174.543 174.700 0.213 0.000 1.019 332 T CA -0.164 62.058 62.100 0.203 0.000 0.921 332 T CB -0.575 68.389 68.868 0.160 0.000 1.053 332 T HN 0.401 nan 8.240 nan 0.000 0.533 333 Y N 3.366 123.724 120.300 0.096 0.000 2.531 333 Y HA 0.285 4.835 4.550 -0.000 0.000 0.347 333 Y C 1.522 177.434 175.900 0.020 0.000 1.024 333 Y CA -1.627 56.498 58.100 0.041 0.000 1.306 333 Y CB 0.569 39.038 38.460 0.016 0.000 1.149 333 Y HN 0.128 nan 8.280 nan 0.000 0.527 334 E N 4.863 124.958 120.200 -0.174 0.000 2.086 334 E HA -0.276 4.074 4.350 -0.000 0.000 0.200 334 E C 1.259 177.672 176.600 -0.311 0.000 1.012 334 E CA 1.877 58.141 56.400 -0.227 0.000 0.812 334 E CB 0.242 29.824 29.700 -0.196 0.000 0.743 334 E HN 0.814 nan 8.360 nan 0.000 0.453 335 K N 0.094 120.085 120.400 -0.682 0.000 2.147 335 K HA -0.168 4.152 4.320 -0.000 0.000 0.205 335 K C 2.248 178.753 176.600 -0.159 0.000 1.049 335 K CA 0.842 56.874 56.287 -0.425 0.000 0.936 335 K CB -0.201 31.933 32.500 -0.609 0.000 0.722 335 K HN 0.107 nan 8.250 nan 0.000 0.446 336 L N 1.613 122.711 121.223 -0.208 0.000 1.973 336 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 336 L C 2.004 178.891 176.870 0.028 0.000 1.073 336 L CA 1.433 56.295 54.840 0.037 0.000 0.746 336 L CB -0.793 41.373 42.059 0.178 0.000 0.891 336 L HN 0.078 nan 8.230 nan 0.000 0.433 337 L N -1.551 119.677 121.223 0.008 0.000 2.085 337 L HA -0.324 4.016 4.340 -0.000 0.000 0.218 337 L C 2.418 179.314 176.870 0.043 0.000 1.080 337 L CA 2.089 56.908 54.840 -0.035 0.000 0.776 337 L CB -0.884 41.060 42.059 -0.192 0.000 0.891 337 L HN 0.559 nan 8.230 nan 0.000 0.437 338 W N 1.198 122.421 121.300 -0.128 0.000 2.353 338 W HA -0.240 4.420 4.660 -0.000 0.000 0.319 338 W C 2.981 179.472 176.519 -0.047 0.000 1.207 338 W CA 2.432 59.724 57.345 -0.087 0.000 1.291 338 W CB -0.880 28.516 29.460 -0.107 0.000 1.159 338 W HN 0.301 nan 8.180 nan 0.000 0.478 339 T N -2.183 112.291 114.554 -0.133 0.000 2.720 339 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 339 T C 1.660 176.240 174.700 -0.200 0.000 1.037 339 T CA 2.435 64.342 62.100 -0.322 0.000 1.144 339 T CB -1.252 67.518 68.868 -0.163 0.000 0.864 339 T HN 0.163 nan 8.240 nan 0.000 0.444 340 T N 2.695 117.198 114.554 -0.085 0.000 2.674 340 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 340 T C 2.526 177.202 174.700 -0.040 0.000 1.039 340 T CA 2.034 64.110 62.100 -0.040 0.000 1.150 340 T CB -0.870 68.008 68.868 0.016 0.000 0.864 340 T HN 0.748 nan 8.240 nan 0.000 0.427 341 S N 2.268 117.953 115.700 -0.025 0.000 2.392 341 S HA -0.238 4.232 4.470 -0.000 0.000 0.232 341 S C 2.052 176.639 174.600 -0.023 0.000 1.041 341 S CA 1.179 59.384 58.200 0.008 0.000 1.026 341 S CB -0.525 62.705 63.200 0.050 0.000 0.845 341 S HN 0.467 nan 8.310 nan 0.000 0.465 342 R N 0.254 120.672 120.500 -0.136 0.000 2.115 342 R HA 0.086 4.426 4.340 -0.000 0.000 0.230 342 R C 2.249 178.503 176.300 -0.077 0.000 1.111 342 R CA 1.244 57.252 56.100 -0.153 0.000 0.976 342 R CB -0.500 29.571 30.300 -0.382 0.000 0.870 342 R HN 0.399 nan 8.270 nan 0.000 0.445 343 V N 1.151 121.021 119.914 -0.073 0.000 2.488 343 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 343 V C 2.162 178.255 176.094 -0.002 0.000 1.046 343 V CA 1.327 63.607 62.300 -0.033 0.000 1.053 343 V CB -0.263 31.540 31.823 -0.034 0.000 0.679 343 V HN 0.272 nan 8.190 nan 0.000 0.458 344 L N -0.012 121.216 121.223 0.008 0.000 2.156 344 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 344 L C 2.537 179.430 176.870 0.038 0.000 1.095 344 L CA 1.589 56.446 54.840 0.028 0.000 0.770 344 L CB -0.513 41.571 42.059 0.042 0.000 0.914 344 L HN 0.330 nan 8.230 nan 0.000 0.439 345 K N 0.377 120.806 120.400 0.048 0.000 2.002 345 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 345 K C 1.980 178.603 176.600 0.039 0.000 1.048 345 K CA 1.587 57.916 56.287 0.070 0.000 0.930 345 K CB -0.057 32.507 32.500 0.105 0.000 0.714 345 K HN 0.047 nan 8.250 nan 0.000 0.438 346 V N 1.696 121.629 119.914 0.032 0.000 2.490 346 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 346 V C 2.161 178.247 176.094 -0.013 0.000 1.061 346 V CA 1.548 63.857 62.300 0.015 0.000 1.064 346 V CB -0.339 31.513 31.823 0.049 0.000 0.670 346 V HN 0.332 nan 8.190 nan 0.000 0.461 347 L N 0.459 121.682 121.223 -0.000 0.000 2.418 347 L HA -0.012 4.328 4.340 -0.000 0.000 0.218 347 L C 2.395 179.263 176.870 -0.002 0.000 1.125 347 L CA 1.067 55.904 54.840 -0.005 0.000 0.835 347 L CB -0.457 41.605 42.059 0.004 0.000 0.953 347 L HN 0.472 nan 8.230 nan 0.000 0.454 348 S N -0.531 115.174 115.700 0.008 0.000 2.555 348 S HA -0.064 4.405 4.470 -0.000 0.000 0.230 348 S C 1.621 176.222 174.600 0.003 0.000 0.978 348 S CA 0.664 58.873 58.200 0.014 0.000 0.934 348 S CB -0.430 62.790 63.200 0.034 0.000 0.766 348 S HN 0.354 nan 8.310 nan 0.000 0.533 349 V N -1.397 118.508 119.914 -0.015 0.000 3.590 349 V HA 0.311 4.431 4.120 -0.000 0.000 0.265 349 V C 1.189 177.263 176.094 -0.032 0.000 1.239 349 V CA -0.276 62.006 62.300 -0.029 0.000 1.117 349 V CB -1.129 30.662 31.823 -0.054 0.000 0.818 349 V HN 0.640 nan 8.190 nan 0.000 0.451 350 C N 2.220 121.503 119.300 -0.029 0.000 2.644 350 C HA 0.492 4.952 4.460 -0.000 0.000 0.417 350 C C 1.252 176.232 174.990 -0.017 0.000 1.304 350 C CA 0.471 59.473 59.018 -0.028 0.000 2.035 350 C CB 0.186 27.911 27.740 -0.025 0.000 2.673 350 C HN 0.609 nan 8.230 nan 0.000 0.602 351 S N 4.392 120.082 115.700 -0.017 0.000 3.266 351 S HA 0.295 4.765 4.470 -0.000 0.000 0.209 351 S C 0.696 175.291 174.600 -0.007 0.000 1.409 351 S CA -0.108 58.085 58.200 -0.010 0.000 1.179 351 S CB 0.177 63.370 63.200 -0.011 0.000 1.218 351 S HN 0.906 nan 8.310 nan 0.000 0.514 352 S N 0.811 116.508 115.700 -0.005 0.000 1.946 352 S HA 0.063 4.533 4.470 -0.000 0.000 0.223 352 S C 1.342 175.942 174.600 0.000 0.000 0.832 352 S CA -0.338 57.860 58.200 -0.003 0.000 1.453 352 S CB -0.191 63.006 63.200 -0.004 0.000 0.947 352 S HN 0.438 nan 8.310 nan 0.000 0.408 353 N N 1.997 120.697 118.700 -0.001 0.000 2.207 353 N HA 0.074 4.814 4.740 -0.000 0.000 0.182 353 N C 1.461 176.976 175.510 0.007 0.000 1.020 353 N CA 0.856 53.908 53.050 0.003 0.000 0.858 353 N CB -0.102 38.386 38.487 0.002 0.000 0.991 353 N HN 0.402 nan 8.380 nan 0.000 0.427 354 K N 0.914 121.318 120.400 0.007 0.000 2.013 354 K HA -0.184 4.136 4.320 -0.000 0.000 0.225 354 K C -0.789 175.818 176.600 0.012 0.000 1.056 354 K CA 2.068 58.362 56.287 0.011 0.000 0.971 354 K CB -1.226 31.280 32.500 0.010 0.000 0.731 354 K HN 0.231 nan 8.250 nan 0.000 0.450 355 P HA -0.199 nan 4.420 nan 0.000 0.217 355 P C 1.038 178.344 177.300 0.009 0.000 1.148 355 P CA 1.915 65.020 63.100 0.008 0.000 0.828 355 P CB -0.060 31.643 31.700 0.006 0.000 0.783 356 A N 0.039 122.864 122.820 0.010 0.000 1.902 356 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 356 A C 2.344 179.937 177.584 0.015 0.000 1.181 356 A CA 1.537 53.581 52.037 0.012 0.000 0.623 356 A CB -1.512 17.494 19.000 0.011 0.000 0.818 356 A HN 0.157 nan 8.150 nan 0.000 0.443 357 I N -0.775 119.805 120.570 0.017 0.000 2.353 357 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 357 I C 2.270 178.400 176.117 0.020 0.000 1.119 357 I CA 0.781 62.094 61.300 0.022 0.000 1.417 357 I CB -0.310 37.705 38.000 0.025 0.000 1.078 357 I HN 0.132 nan 8.210 nan 0.000 0.421 358 V N 0.501 120.424 119.914 0.016 0.000 2.307 358 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 358 V C 2.488 178.588 176.094 0.009 0.000 1.045 358 V CA 1.720 64.028 62.300 0.013 0.000 1.024 358 V CB -0.513 31.316 31.823 0.010 0.000 0.651 358 V HN 0.393 nan 8.190 nan 0.000 0.449 359 E N -0.033 120.172 120.200 0.008 0.000 2.204 359 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 359 E C 2.154 178.759 176.600 0.008 0.000 0.989 359 E CA 1.178 57.582 56.400 0.006 0.000 0.824 359 E CB -0.077 29.626 29.700 0.006 0.000 0.756 359 E HN 0.559 nan 8.360 nan 0.000 0.477 360 A N -0.108 122.719 122.820 0.012 0.000 2.206 360 A HA 0.142 4.462 4.320 -0.000 0.000 0.211 360 A C 1.538 179.130 177.584 0.014 0.000 1.158 360 A CA 1.127 53.173 52.037 0.015 0.000 0.761 360 A CB -0.082 18.930 19.000 0.020 0.000 0.801 360 A HN 0.302 nan 8.150 nan 0.000 0.473 361 G N -2.357 106.451 108.800 0.012 0.000 2.131 361 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.201 361 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.201 361 G C 1.103 176.013 174.900 0.017 0.000 1.000 361 G CA 0.458 45.564 45.100 0.010 0.000 0.680 361 G HN 1.150 nan 8.290 nan 0.000 0.514 362 G N 0.092 108.905 108.800 0.023 0.000 2.422 362 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.218 362 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.218 362 G C 1.877 176.796 174.900 0.031 0.000 1.146 362 G CA 1.769 46.889 45.100 0.033 0.000 0.769 362 G HN 0.407 nan 8.290 nan 0.000 0.547 363 M N 0.324 119.937 119.600 0.021 0.000 2.065 363 M HA -0.105 4.375 4.480 -0.000 0.000 0.259 363 M C 2.658 178.964 176.300 0.010 0.000 1.069 363 M CA 1.415 56.726 55.300 0.018 0.000 1.110 363 M CB -1.359 31.247 32.600 0.009 0.000 1.328 363 M HN 0.214 nan 8.290 nan 0.000 0.405 364 Q N -0.159 119.642 119.800 0.001 0.000 2.226 364 Q HA 0.012 4.352 4.340 -0.000 0.000 0.204 364 Q C 2.072 178.061 176.000 -0.018 0.000 0.975 364 Q CA 1.820 57.615 55.803 -0.012 0.000 0.866 364 Q CB -0.554 28.174 28.738 -0.016 0.000 0.915 364 Q HN 0.607 nan 8.270 nan 0.000 0.440 365 A N -0.331 122.492 122.820 0.005 0.000 2.072 365 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 365 A C 1.785 179.406 177.584 0.061 0.000 1.156 365 A CA 0.508 52.558 52.037 0.021 0.000 0.701 365 A CB -0.171 18.860 19.000 0.052 0.000 0.816 365 A HN 0.314 nan 8.150 nan 0.000 0.458 366 L N -1.078 120.185 121.223 0.065 0.000 2.270 366 L HA 0.072 4.412 4.340 -0.000 0.000 0.210 366 L C 2.487 179.392 176.870 0.058 0.000 1.104 366 L CA 0.790 55.692 54.840 0.103 0.000 0.804 366 L CB -0.222 41.887 42.059 0.083 0.000 0.937 366 L HN 0.431 nan 8.230 nan 0.000 0.450 367 G N -0.625 108.177 108.800 0.004 0.000 2.744 367 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.211 367 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.211 367 G C 1.544 176.390 174.900 -0.090 0.000 1.143 367 G CA -0.068 45.017 45.100 -0.026 0.000 0.788 367 G HN 0.189 nan 8.290 nan 0.000 0.534 368 L N -0.130 120.981 121.223 -0.187 0.000 2.217 368 L HA 0.045 4.385 4.340 -0.000 0.000 0.211 368 L C 1.695 178.265 176.870 -0.501 0.000 1.107 368 L CA 0.778 55.395 54.840 -0.372 0.000 0.783 368 L CB -0.049 41.679 42.059 -0.552 0.000 0.919 368 L HN 0.313 nan 8.230 nan 0.000 0.442 369 H N -1.038 118.039 119.070 0.012 0.000 2.505 369 H HA 0.145 4.701 4.556 -0.000 0.000 0.286 369 H C 1.946 177.273 175.328 -0.001 0.000 1.072 369 H CA -0.094 55.960 56.048 0.010 0.000 1.141 369 H CB 0.452 30.228 29.762 0.024 0.000 1.550 369 H HN 0.313 nan 8.280 nan 0.000 0.547 370 L N 0.921 122.161 121.223 0.028 0.000 2.187 370 L HA -0.117 4.223 4.340 -0.000 0.000 0.213 370 L C 1.887 178.759 176.870 0.003 0.000 1.100 370 L CA 1.891 56.738 54.840 0.012 0.000 0.765 370 L CB -0.157 41.896 42.059 -0.009 0.000 0.904 370 L HN 0.284 nan 8.230 nan 0.000 0.437 371 T N -5.387 109.169 114.554 0.003 0.000 3.215 371 T HA 0.167 4.517 4.350 -0.000 0.000 0.271 371 T C 0.263 174.970 174.700 0.012 0.000 1.012 371 T CA -0.693 61.407 62.100 -0.001 0.000 0.899 371 T CB -0.156 68.707 68.868 -0.009 0.000 1.089 371 T HN -0.077 nan 8.240 nan 0.000 0.552 372 D N 3.044 123.469 120.400 0.041 0.000 2.361 372 D HA 0.212 4.852 4.640 -0.000 0.000 0.239 372 D C -1.260 175.047 176.300 0.012 0.000 1.200 372 D CA -1.837 52.194 54.000 0.051 0.000 0.915 372 D CB 0.959 41.822 40.800 0.106 0.000 1.170 372 D HN 0.066 nan 8.370 nan 0.000 0.444 373 P HA -0.056 nan 4.420 nan 0.000 0.217 373 P C 0.147 177.423 177.300 -0.041 0.000 1.150 373 P CA 0.683 63.770 63.100 -0.021 0.000 0.832 373 P CB 0.217 31.904 31.700 -0.022 0.000 0.787 374 S N 0.534 116.203 115.700 -0.051 0.000 2.506 374 S HA -0.043 4.427 4.470 -0.000 0.000 0.291 374 S C 1.394 175.944 174.600 -0.083 0.000 1.230 374 S CA -0.283 57.864 58.200 -0.088 0.000 1.107 374 S CB -0.170 62.962 63.200 -0.114 0.000 0.942 374 S HN -0.006 nan 8.310 nan 0.000 0.502 375 Q N 4.996 124.739 119.800 -0.096 0.000 2.050 375 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 375 Q C 2.359 178.297 176.000 -0.103 0.000 0.980 375 Q CA 1.913 57.659 55.803 -0.095 0.000 0.840 375 Q CB -0.422 28.261 28.738 -0.092 0.000 0.898 375 Q HN 0.950 nan 8.270 nan 0.000 0.424 376 R N 0.311 120.740 120.500 -0.118 0.000 2.105 376 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 376 R C 2.206 178.536 176.300 0.050 0.000 1.135 376 R CA 1.461 57.526 56.100 -0.059 0.000 0.967 376 R CB -0.768 29.412 30.300 -0.200 0.000 0.861 376 R HN 0.157 nan 8.270 nan 0.000 0.442 377 L N 1.282 122.509 121.223 0.007 0.000 2.027 377 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 377 L C 2.331 179.225 176.870 0.040 0.000 1.074 377 L CA 1.383 56.272 54.840 0.083 0.000 0.745 377 L CB -0.377 41.694 42.059 0.020 0.000 0.898 377 L HN 0.065 nan 8.230 nan 0.000 0.433 378 V N -0.421 119.484 119.914 -0.015 0.000 2.255 378 V HA -0.355 3.765 4.120 -0.000 0.000 0.247 378 V C 2.654 178.676 176.094 -0.120 0.000 1.051 378 V CA 2.046 64.320 62.300 -0.043 0.000 1.018 378 V CB -0.611 31.176 31.823 -0.061 0.000 0.641 378 V HN 0.588 nan 8.190 nan 0.000 0.445 379 Q N 0.580 120.248 119.800 -0.219 0.000 2.061 379 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 379 Q C 1.896 177.615 176.000 -0.469 0.000 0.984 379 Q CA 2.567 58.068 55.803 -0.504 0.000 0.846 379 Q CB -0.621 27.713 28.738 -0.673 0.000 0.902 379 Q HN 0.760 nan 8.270 nan 0.000 0.421 380 N N -1.469 117.155 118.700 -0.128 0.000 2.104 380 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 380 N C 1.713 177.296 175.510 0.122 0.000 1.024 380 N CA 1.547 54.682 53.050 0.142 0.000 0.853 380 N CB -0.246 38.371 38.487 0.216 0.000 1.008 380 N HN 0.284 nan 8.380 nan 0.000 0.424 381 C N 0.276 119.614 119.300 0.063 0.000 2.422 381 C HA -0.027 4.433 4.460 -0.000 0.000 0.279 381 C C 2.466 177.490 174.990 0.057 0.000 1.305 381 C CA 0.412 59.476 59.018 0.076 0.000 1.757 381 C CB -1.168 26.621 27.740 0.081 0.000 1.962 381 C HN 0.448 nan 8.230 nan 0.000 0.499 382 L N -1.052 120.163 121.223 -0.013 0.000 2.044 382 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 382 L C 2.722 179.653 176.870 0.103 0.000 1.075 382 L CA 1.327 56.157 54.840 -0.017 0.000 0.747 382 L CB -0.586 41.392 42.059 -0.135 0.000 0.903 382 L HN 0.463 nan 8.230 nan 0.000 0.435 383 W N 0.513 121.838 121.300 0.043 0.000 2.358 383 W HA -0.147 4.513 4.660 -0.000 0.000 0.303 383 W C 2.653 179.192 176.519 0.033 0.000 1.208 383 W CA 1.417 58.785 57.345 0.038 0.000 1.274 383 W CB -1.451 28.034 29.460 0.042 0.000 1.138 383 W HN 0.167 nan 8.180 nan 0.000 0.515 384 T N 1.285 116.006 114.554 0.278 0.000 2.746 384 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 384 T C 2.120 176.893 174.700 0.121 0.000 1.039 384 T CA 1.317 63.516 62.100 0.165 0.000 1.142 384 T CB -0.623 68.325 68.868 0.133 0.000 0.866 384 T HN 0.003 nan 8.240 nan 0.000 0.444 385 L N 0.300 121.590 121.223 0.111 0.000 2.131 385 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 385 L C 2.819 179.739 176.870 0.083 0.000 1.092 385 L CA 1.217 56.105 54.840 0.080 0.000 0.759 385 L CB -0.362 41.733 42.059 0.061 0.000 0.903 385 L HN 0.145 nan 8.230 nan 0.000 0.435 386 R N -0.004 120.565 120.500 0.115 0.000 2.062 386 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 386 R C 2.192 178.544 176.300 0.087 0.000 1.136 386 R CA 1.438 57.604 56.100 0.109 0.000 0.948 386 R CB -0.066 30.324 30.300 0.151 0.000 0.845 386 R HN 0.376 nan 8.270 nan 0.000 0.430 387 N N 0.757 119.511 118.700 0.090 0.000 2.149 387 N HA -0.182 4.558 4.740 -0.000 0.000 0.188 387 N C 1.775 177.312 175.510 0.045 0.000 1.019 387 N CA 1.257 54.341 53.050 0.056 0.000 0.857 387 N CB -0.174 38.341 38.487 0.047 0.000 0.997 387 N HN 0.290 nan 8.380 nan 0.000 0.426 388 L N 1.050 122.304 121.223 0.050 0.000 2.313 388 L HA -0.042 4.298 4.340 -0.000 0.000 0.214 388 L C 2.412 179.302 176.870 0.034 0.000 1.119 388 L CA 0.553 55.416 54.840 0.038 0.000 0.809 388 L CB -0.484 41.598 42.059 0.038 0.000 0.933 388 L HN 0.190 nan 8.230 nan 0.000 0.449 389 S N 0.477 116.201 115.700 0.041 0.000 2.387 389 S HA -0.238 4.232 4.470 -0.000 0.000 0.230 389 S C 1.586 176.204 174.600 0.031 0.000 1.035 389 S CA 1.509 59.731 58.200 0.037 0.000 1.014 389 S CB -0.594 62.634 63.200 0.047 0.000 0.836 389 S HN 0.636 nan 8.310 nan 0.000 0.466 390 D N 1.833 122.252 120.400 0.032 0.000 2.371 390 D HA 0.165 4.805 4.640 -0.000 0.000 0.221 390 D C 1.301 177.611 176.300 0.016 0.000 0.986 390 D CA 0.870 54.886 54.000 0.026 0.000 0.899 390 D CB -0.325 40.492 40.800 0.028 0.000 0.902 390 D HN 0.616 nan 8.370 nan 0.000 0.530 391 A N -0.465 122.365 122.820 0.016 0.000 2.430 391 A HA 0.658 4.978 4.320 -0.000 0.000 0.243 391 A C 1.689 179.277 177.584 0.007 0.000 1.254 391 A CA 0.242 52.285 52.037 0.010 0.000 0.914 391 A CB 0.303 19.310 19.000 0.011 0.000 0.998 391 A HN 0.264 nan 8.150 nan 0.000 0.515 392 A N -0.316 122.508 122.820 0.008 0.000 2.470 392 A HA 0.277 4.597 4.320 -0.000 0.000 0.251 392 A C 1.793 179.373 177.584 -0.006 0.000 1.245 392 A CA 1.012 53.051 52.037 0.002 0.000 0.932 392 A CB -0.883 18.122 19.000 0.008 0.000 1.037 392 A HN 0.571 nan 8.150 nan 0.000 0.522 393 T N -1.995 112.554 114.554 -0.008 0.000 3.025 393 T HA -0.075 4.275 4.350 -0.000 0.000 0.270 393 T C 1.129 175.811 174.700 -0.030 0.000 1.126 393 T CA 1.691 63.780 62.100 -0.019 0.000 1.105 393 T CB -0.322 68.534 68.868 -0.020 0.000 0.884 393 T HN 0.421 nan 8.240 nan 0.000 0.522 394 K N 0.345 120.730 120.400 -0.025 0.000 2.478 394 K HA 0.254 4.574 4.320 -0.000 0.000 0.205 394 K C 0.102 176.681 176.600 -0.034 0.000 1.033 394 K CA -0.288 55.981 56.287 -0.031 0.000 1.091 394 K CB 0.695 33.183 32.500 -0.019 0.000 0.844 394 K HN 0.256 nan 8.250 nan 0.000 0.507 395 Q N 1.661 121.442 119.800 -0.032 0.000 2.256 395 Q HA 0.148 4.487 4.340 -0.000 0.000 0.254 395 Q C 0.158 176.132 176.000 -0.043 0.000 0.916 395 Q CA 0.064 55.850 55.803 -0.029 0.000 0.932 395 Q CB 1.307 30.033 28.738 -0.019 0.000 1.207 395 Q HN 0.176 nan 8.270 nan 0.000 0.426 396 E N 0.230 120.405 120.200 -0.042 0.000 2.816 396 E HA 0.113 4.463 4.350 -0.000 0.000 0.260 396 E C 0.504 177.079 176.600 -0.041 0.000 1.414 396 E CA 0.310 56.680 56.400 -0.051 0.000 1.074 396 E CB 0.243 29.917 29.700 -0.043 0.000 1.123 396 E HN 0.864 nan 8.360 nan 0.000 0.664 397 G N 0.781 109.556 108.800 -0.041 0.000 2.341 397 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.292 397 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.292 397 G C 0.602 175.484 174.900 -0.031 0.000 1.021 397 G CA 0.731 45.811 45.100 -0.033 0.000 0.905 397 G HN 0.198 nan 8.290 nan 0.000 0.508 398 M N -1.042 118.535 119.600 -0.037 0.000 2.371 398 M HA 0.157 4.637 4.480 -0.000 0.000 0.246 398 M C 1.943 178.225 176.300 -0.030 0.000 1.103 398 M CA 0.544 55.825 55.300 -0.031 0.000 1.010 398 M CB -0.064 32.516 32.600 -0.032 0.000 1.457 398 M HN 0.251 nan 8.290 nan 0.000 0.486 399 E N 1.121 121.301 120.200 -0.034 0.000 2.114 399 E HA -0.158 4.192 4.350 -0.000 0.000 0.199 399 E C 2.108 178.694 176.600 -0.023 0.000 1.008 399 E CA 1.908 58.291 56.400 -0.030 0.000 0.810 399 E CB -0.681 29.002 29.700 -0.028 0.000 0.739 399 E HN 0.597 nan 8.360 nan 0.000 0.456 400 G N 0.101 108.887 108.800 -0.024 0.000 2.426 400 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 400 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 400 G C 1.445 176.331 174.900 -0.022 0.000 1.156 400 G CA 0.427 45.514 45.100 -0.023 0.000 0.802 400 G HN 0.260 nan 8.290 nan 0.000 0.534 401 L N 0.453 121.663 121.223 -0.022 0.000 2.275 401 L HA 0.215 4.555 4.340 -0.000 0.000 0.215 401 L C 2.354 179.216 176.870 -0.013 0.000 1.119 401 L CA 1.123 55.952 54.840 -0.018 0.000 0.790 401 L CB -0.183 41.868 42.059 -0.013 0.000 0.919 401 L HN 0.163 nan 8.230 nan 0.000 0.443 402 L N -1.057 120.156 121.223 -0.015 0.000 2.068 402 L HA 0.020 4.360 4.340 -0.000 0.000 0.204 402 L C 2.527 179.389 176.870 -0.012 0.000 1.076 402 L CA 1.039 55.872 54.840 -0.012 0.000 0.753 402 L CB -1.305 40.744 42.059 -0.017 0.000 0.910 402 L HN 0.402 nan 8.230 nan 0.000 0.439 403 G N -0.530 108.261 108.800 -0.014 0.000 2.418 403 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 403 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 403 G C 1.569 176.461 174.900 -0.013 0.000 1.158 403 G CA 1.347 46.439 45.100 -0.013 0.000 0.771 403 G HN 0.276 nan 8.290 nan 0.000 0.545 404 T N 1.439 115.983 114.554 -0.015 0.000 2.737 404 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 404 T C 2.445 177.137 174.700 -0.014 0.000 1.038 404 T CA 0.906 62.996 62.100 -0.016 0.000 1.144 404 T CB -0.224 68.632 68.868 -0.020 0.000 0.866 404 T HN 0.158 nan 8.240 nan 0.000 0.434 405 L N 0.745 121.962 121.223 -0.011 0.000 2.012 405 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 405 L C 2.687 179.552 176.870 -0.008 0.000 1.073 405 L CA 0.987 55.822 54.840 -0.007 0.000 0.748 405 L CB -0.909 41.150 42.059 -0.001 0.000 0.891 405 L HN 0.136 nan 8.230 nan 0.000 0.431 406 V N -0.178 119.731 119.914 -0.009 0.000 2.233 406 V HA -0.393 3.727 4.120 -0.000 0.000 0.247 406 V C 3.137 179.222 176.094 -0.014 0.000 1.050 406 V CA 2.622 64.916 62.300 -0.011 0.000 1.010 406 V CB -1.265 30.551 31.823 -0.011 0.000 0.637 406 V HN 0.634 nan 8.190 nan 0.000 0.444 407 Q N -0.564 119.227 119.800 -0.015 0.000 2.133 407 Q HA -0.264 4.076 4.340 -0.000 0.000 0.208 407 Q C 2.096 178.086 176.000 -0.017 0.000 0.991 407 Q CA 2.574 58.367 55.803 -0.016 0.000 0.867 407 Q CB -1.105 27.624 28.738 -0.015 0.000 0.911 407 Q HN 0.737 nan 8.270 nan 0.000 0.417 408 L N -0.066 121.147 121.223 -0.016 0.000 2.353 408 L HA -0.080 4.260 4.340 -0.000 0.000 0.220 408 L C 2.557 179.417 176.870 -0.017 0.000 1.133 408 L CA 0.526 55.355 54.840 -0.018 0.000 0.798 408 L CB -0.351 41.695 42.059 -0.021 0.000 0.922 408 L HN 0.401 nan 8.230 nan 0.000 0.445 409 L N -0.245 120.970 121.223 -0.013 0.000 2.191 409 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 409 L C 2.190 179.052 176.870 -0.013 0.000 1.103 409 L CA 1.152 55.985 54.840 -0.011 0.000 0.769 409 L CB -0.661 41.391 42.059 -0.010 0.000 0.908 409 L HN 0.332 nan 8.230 nan 0.000 0.438 410 G N -1.198 107.593 108.800 -0.015 0.000 3.233 410 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.227 410 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.227 410 G C 0.710 175.600 174.900 -0.016 0.000 1.175 410 G CA 0.094 45.185 45.100 -0.016 0.000 0.781 410 G HN 0.262 nan 8.290 nan 0.000 0.542 411 S N 0.323 116.013 115.700 -0.017 0.000 2.596 411 S HA 0.044 4.514 4.470 -0.000 0.000 0.260 411 S C 1.516 176.106 174.600 -0.018 0.000 1.336 411 S CA 0.422 58.610 58.200 -0.020 0.000 0.993 411 S CB 0.835 64.019 63.200 -0.026 0.000 0.923 411 S HN 0.425 nan 8.310 nan 0.000 0.567 412 D N 0.047 120.436 120.400 -0.019 0.000 2.349 412 D HA -0.003 4.637 4.640 -0.000 0.000 0.215 412 D C -0.307 175.984 176.300 -0.015 0.000 1.016 412 D CA -0.000 53.990 54.000 -0.016 0.000 0.870 412 D CB -0.126 40.664 40.800 -0.016 0.000 0.917 412 D HN 0.403 nan 8.370 nan 0.000 0.524 413 D N 1.593 121.980 120.400 -0.021 0.000 2.373 413 D HA 0.077 4.717 4.640 -0.000 0.000 0.227 413 D C 2.048 178.340 176.300 -0.013 0.000 1.091 413 D CA -0.602 53.385 54.000 -0.021 0.000 0.840 413 D CB 1.092 41.869 40.800 -0.038 0.000 1.060 413 D HN -0.074 nan 8.370 nan 0.000 0.502 414 I N 2.239 122.808 120.570 -0.000 0.000 2.194 414 I HA -0.294 3.876 4.170 -0.000 0.000 0.246 414 I C 1.412 177.538 176.117 0.015 0.000 1.093 414 I CA 0.970 62.276 61.300 0.010 0.000 1.355 414 I CB -1.125 36.887 38.000 0.020 0.000 1.046 414 I HN 0.292 nan 8.210 nan 0.000 0.413 415 N N 1.560 120.270 118.700 0.017 0.000 2.149 415 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 415 N C 2.111 177.612 175.510 -0.015 0.000 1.019 415 N CA 1.169 54.235 53.050 0.028 0.000 0.857 415 N CB -0.631 37.876 38.487 0.034 0.000 0.997 415 N HN 0.321 nan 8.380 nan 0.000 0.426 416 V N 0.754 120.640 119.914 -0.048 0.000 2.358 416 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 416 V C 2.399 178.475 176.094 -0.031 0.000 1.047 416 V CA 1.015 63.275 62.300 -0.068 0.000 1.035 416 V CB -0.344 31.437 31.823 -0.070 0.000 0.658 416 V HN 0.052 nan 8.190 nan 0.000 0.452 417 V N -0.008 119.898 119.914 -0.014 0.000 2.343 417 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 417 V C 2.556 178.657 176.094 0.013 0.000 1.051 417 V CA 2.616 64.915 62.300 -0.002 0.000 1.036 417 V CB -1.169 30.654 31.823 0.001 0.000 0.654 417 V HN 0.637 nan 8.190 nan 0.000 0.451 418 T N -1.009 113.561 114.554 0.026 0.000 2.652 418 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 418 T C 1.986 176.721 174.700 0.057 0.000 1.039 418 T CA 1.981 64.109 62.100 0.047 0.000 1.153 418 T CB -0.646 68.263 68.868 0.068 0.000 0.863 418 T HN 0.513 nan 8.240 nan 0.000 0.428 419 C N 1.589 120.924 119.300 0.058 0.000 2.413 419 C HA 0.031 4.491 4.460 -0.000 0.000 0.276 419 C C 3.300 178.318 174.990 0.048 0.000 1.236 419 C CA 0.477 59.538 59.018 0.072 0.000 1.735 419 C CB -1.479 26.280 27.740 0.032 0.000 2.031 419 C HN 0.681 nan 8.230 nan 0.000 0.474 420 A N 0.308 123.140 122.820 0.021 0.000 1.908 420 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 420 A C 2.330 179.927 177.584 0.023 0.000 1.181 420 A CA 2.126 54.173 52.037 0.016 0.000 0.627 420 A CB -0.868 18.133 19.000 0.001 0.000 0.818 420 A HN 0.618 nan 8.150 nan 0.000 0.445 421 A N -0.615 122.220 122.820 0.024 0.000 2.015 421 A HA 0.170 4.490 4.320 -0.000 0.000 0.219 421 A C 2.298 179.902 177.584 0.033 0.000 1.163 421 A CA 1.767 53.817 52.037 0.023 0.000 0.646 421 A CB -1.136 17.876 19.000 0.020 0.000 0.806 421 A HN 0.668 nan 8.150 nan 0.000 0.448 422 G N 0.263 109.091 108.800 0.047 0.000 2.414 422 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.215 422 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.215 422 G C 1.468 176.404 174.900 0.061 0.000 1.188 422 G CA 1.088 46.223 45.100 0.059 0.000 0.783 422 G HN 0.462 nan 8.290 nan 0.000 0.537 423 I N 0.598 121.201 120.570 0.056 0.000 2.286 423 I HA -0.118 4.052 4.170 -0.000 0.000 0.248 423 I C 2.586 178.732 176.117 0.048 0.000 1.115 423 I CA 0.684 62.014 61.300 0.051 0.000 1.392 423 I CB -0.146 37.880 38.000 0.043 0.000 1.065 423 I HN 0.105 nan 8.210 nan 0.000 0.418 424 L N -0.628 120.620 121.223 0.042 0.000 2.156 424 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 424 L C 2.676 179.588 176.870 0.071 0.000 1.095 424 L CA 1.001 55.866 54.840 0.041 0.000 0.770 424 L CB -0.587 41.487 42.059 0.025 0.000 0.914 424 L HN 0.226 nan 8.230 nan 0.000 0.439 425 S N 0.324 116.066 115.700 0.071 0.000 2.348 425 S HA -0.161 4.309 4.470 -0.000 0.000 0.221 425 S C 1.890 176.617 174.600 0.211 0.000 1.033 425 S CA 1.615 59.878 58.200 0.104 0.000 1.010 425 S CB -0.123 63.113 63.200 0.060 0.000 0.891 425 S HN 0.434 nan 8.310 nan 0.000 0.442 426 N N 1.170 119.949 118.700 0.132 0.000 2.250 426 N HA 0.110 4.850 4.740 -0.000 0.000 0.181 426 N C 1.674 177.224 175.510 0.066 0.000 1.017 426 N CA 0.691 53.803 53.050 0.103 0.000 0.866 426 N CB -0.505 38.024 38.487 0.071 0.000 0.985 426 N HN 0.380 nan 8.380 nan 0.000 0.429 427 L N 1.190 122.448 121.223 0.058 0.000 2.456 427 L HA -0.062 4.278 4.340 -0.000 0.000 0.224 427 L C 1.489 178.374 176.870 0.026 0.000 1.148 427 L CA 1.034 55.892 54.840 0.029 0.000 0.825 427 L CB -0.481 41.590 42.059 0.020 0.000 0.937 427 L HN 0.308 nan 8.230 nan 0.000 0.450 428 T N -5.396 109.203 114.554 0.075 0.000 3.069 428 T HA 0.072 4.422 4.350 -0.000 0.000 0.252 428 T C 0.782 175.482 174.700 0.000 0.000 1.053 428 T CA -0.400 61.746 62.100 0.077 0.000 0.964 428 T CB -0.604 68.365 68.868 0.168 0.000 1.005 428 T HN 0.099 nan 8.240 nan 0.000 0.532 429 C N 3.636 122.877 119.300 -0.099 0.000 2.633 429 C HA 0.205 4.665 4.460 -0.000 0.000 0.415 429 C C 1.240 176.148 174.990 -0.137 0.000 1.393 429 C CA -0.461 58.386 59.018 -0.284 0.000 1.700 429 C CB -1.270 26.337 27.740 -0.222 0.000 2.541 429 C HN 0.699 nan 8.230 nan 0.000 0.603 430 N N 1.761 120.387 118.700 -0.123 0.000 2.644 430 N HA -0.217 4.523 4.740 -0.000 0.000 0.248 430 N C -0.337 175.177 175.510 0.007 0.000 1.150 430 N CA 1.011 54.042 53.050 -0.031 0.000 0.727 430 N CB -0.974 37.495 38.487 -0.030 0.000 1.091 430 N HN 0.823 nan 8.380 nan 0.000 0.556 431 N N 0.358 119.052 118.700 -0.010 0.000 2.696 431 N HA 0.072 4.812 4.740 -0.000 0.000 0.246 431 N C 1.035 176.521 175.510 -0.041 0.000 1.057 431 N CA -0.538 52.489 53.050 -0.039 0.000 0.867 431 N CB 0.397 38.837 38.487 -0.078 0.000 1.141 431 N HN 0.200 nan 8.380 nan 0.000 0.517 432 Y N 3.390 123.673 120.300 -0.029 0.000 2.193 432 Y HA -0.132 4.418 4.550 -0.000 0.000 0.285 432 Y C 1.511 177.363 175.900 -0.079 0.000 1.166 432 Y CA 1.427 59.499 58.100 -0.047 0.000 1.181 432 Y CB -0.160 38.315 38.460 0.026 0.000 0.976 432 Y HN 0.260 nan 8.280 nan 0.000 0.520 433 K N 0.277 120.342 120.400 -0.559 0.000 2.026 433 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 433 K C 1.731 178.226 176.600 -0.175 0.000 1.048 433 K CA 1.598 57.660 56.287 -0.375 0.000 0.929 433 K CB -0.281 31.955 32.500 -0.440 0.000 0.713 433 K HN 0.364 nan 8.250 nan 0.000 0.439 434 N N 1.140 119.743 118.700 -0.161 0.000 2.188 434 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 434 N C 1.485 176.938 175.510 -0.094 0.000 1.018 434 N CA 1.104 54.094 53.050 -0.099 0.000 0.858 434 N CB -0.062 38.381 38.487 -0.074 0.000 0.989 434 N HN 0.167 nan 8.380 nan 0.000 0.426 435 K N 0.412 120.730 120.400 -0.137 0.000 2.032 435 K HA -0.036 4.284 4.320 -0.000 0.000 0.209 435 K C 2.033 178.490 176.600 -0.239 0.000 1.048 435 K CA 1.264 57.414 56.287 -0.228 0.000 0.927 435 K CB -0.137 32.079 32.500 -0.474 0.000 0.712 435 K HN 0.185 nan 8.250 nan 0.000 0.441 436 M N -0.241 119.229 119.600 -0.217 0.000 2.159 436 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 436 M C 2.359 178.643 176.300 -0.027 0.000 1.063 436 M CA 1.216 56.468 55.300 -0.079 0.000 1.110 436 M CB -0.250 32.359 32.600 0.015 0.000 1.374 436 M HN 0.180 nan 8.290 nan 0.000 0.411 437 M N 0.551 120.128 119.600 -0.038 0.000 2.132 437 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 437 M C 1.877 178.168 176.300 -0.015 0.000 1.065 437 M CA 1.666 56.953 55.300 -0.022 0.000 1.122 437 M CB -0.464 32.117 32.600 -0.032 0.000 1.365 437 M HN -0.001 nan 8.290 nan 0.000 0.411 438 V N -0.712 119.189 119.914 -0.022 0.000 2.295 438 V HA -0.346 3.774 4.120 -0.000 0.000 0.246 438 V C 2.467 178.565 176.094 0.007 0.000 1.049 438 V CA 2.043 64.339 62.300 -0.007 0.000 1.024 438 V CB -1.149 30.672 31.823 -0.004 0.000 0.648 438 V HN 0.646 nan 8.190 nan 0.000 0.447 439 C N -0.843 118.464 119.300 0.012 0.000 2.411 439 C HA -0.186 4.274 4.460 -0.000 0.000 0.279 439 C C 2.846 177.862 174.990 0.044 0.000 1.288 439 C CA 1.089 60.133 59.018 0.044 0.000 1.764 439 C CB -0.982 26.801 27.740 0.071 0.000 1.974 439 C HN 0.586 nan 8.230 nan 0.000 0.498 440 Q N 0.391 120.209 119.800 0.030 0.000 2.083 440 Q HA -0.074 4.266 4.340 -0.000 0.000 0.198 440 Q C 1.860 177.873 176.000 0.023 0.000 0.969 440 Q CA 1.423 57.244 55.803 0.030 0.000 0.838 440 Q CB -0.007 28.744 28.738 0.022 0.000 0.900 440 Q HN 0.678 nan 8.270 nan 0.000 0.436 441 V N -2.998 116.924 119.914 0.012 0.000 3.416 441 V HA 0.468 4.588 4.120 -0.000 0.000 0.334 441 V C 0.790 176.884 176.094 -0.000 0.000 1.271 441 V CA 0.575 62.879 62.300 0.006 0.000 1.274 441 V CB -0.536 31.286 31.823 -0.001 0.000 1.153 441 V HN 0.390 nan 8.190 nan 0.000 0.433 442 G N -0.721 108.081 108.800 0.004 0.000 2.141 442 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.231 442 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.231 442 G C 0.955 175.836 174.900 -0.032 0.000 0.984 442 G CA 0.119 45.206 45.100 -0.021 0.000 0.660 442 G HN 1.162 nan 8.290 nan 0.000 0.525 443 G N 0.909 109.705 108.800 -0.006 0.000 2.529 443 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 443 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 443 G C 1.762 176.660 174.900 -0.004 0.000 1.177 443 G CA 1.564 46.662 45.100 -0.003 0.000 0.773 443 G HN 0.503 nan 8.290 nan 0.000 0.573 444 I N 1.104 121.686 120.570 0.019 0.000 2.099 444 I HA -0.178 3.992 4.170 -0.000 0.000 0.239 444 I C 2.583 178.689 176.117 -0.019 0.000 1.066 444 I CA 1.789 63.113 61.300 0.040 0.000 1.324 444 I CB -1.289 36.789 38.000 0.131 0.000 1.037 444 I HN 0.409 nan 8.210 nan 0.000 0.401 445 E N 1.069 121.164 120.200 -0.174 0.000 2.097 445 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 445 E C 2.207 178.728 176.600 -0.132 0.000 1.000 445 E CA 1.787 57.995 56.400 -0.319 0.000 0.804 445 E CB 0.069 29.354 29.700 -0.692 0.000 0.740 445 E HN 0.467 nan 8.360 nan 0.000 0.454 446 A N 0.836 123.597 122.820 -0.098 0.000 1.898 446 A HA -0.096 4.223 4.320 -0.000 0.000 0.216 446 A C 2.225 179.793 177.584 -0.027 0.000 1.181 446 A CA 0.953 52.958 52.037 -0.053 0.000 0.620 446 A CB -0.515 18.459 19.000 -0.043 0.000 0.819 446 A HN 0.293 nan 8.150 nan 0.000 0.442 447 L N -0.692 120.520 121.223 -0.018 0.000 2.056 447 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 447 L C 2.535 179.406 176.870 0.002 0.000 1.078 447 L CA 0.942 55.779 54.840 -0.005 0.000 0.749 447 L CB -0.508 41.551 42.059 -0.001 0.000 0.901 447 L HN 0.230 nan 8.230 nan 0.000 0.433 448 V N -0.070 119.848 119.914 0.008 0.000 2.332 448 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 448 V C 2.652 178.759 176.094 0.023 0.000 1.055 448 V CA 1.970 64.286 62.300 0.026 0.000 1.038 448 V CB -0.614 31.243 31.823 0.055 0.000 0.651 448 V HN 0.440 nan 8.190 nan 0.000 0.450 449 R N -0.450 120.055 120.500 0.008 0.000 2.152 449 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 449 R C 2.206 178.508 176.300 0.004 0.000 1.117 449 R CA 1.840 57.942 56.100 0.004 0.000 0.981 449 R CB -0.275 30.017 30.300 -0.013 0.000 0.870 449 R HN 0.554 nan 8.270 nan 0.000 0.451 450 T N -0.209 114.346 114.554 0.002 0.000 2.857 450 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 450 T C 1.743 176.448 174.700 0.009 0.000 1.048 450 T CA 1.120 63.222 62.100 0.004 0.000 1.139 450 T CB 0.032 68.901 68.868 0.003 0.000 0.874 450 T HN 0.011 nan 8.240 nan 0.000 0.455 451 V N 1.646 121.567 119.914 0.011 0.000 2.261 451 V HA -0.116 4.004 4.120 -0.000 0.000 0.246 451 V C 2.488 178.591 176.094 0.015 0.000 1.047 451 V CA 1.461 63.769 62.300 0.014 0.000 1.015 451 V CB -0.704 31.128 31.823 0.015 0.000 0.642 451 V HN 0.412 nan 8.190 nan 0.000 0.446 452 L N -0.243 120.991 121.223 0.018 0.000 1.970 452 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 452 L C 2.767 179.645 176.870 0.012 0.000 1.071 452 L CA 2.295 57.146 54.840 0.017 0.000 0.751 452 L CB -0.675 41.396 42.059 0.020 0.000 0.889 452 L HN 0.265 nan 8.230 nan 0.000 0.432 453 R N 0.167 120.673 120.500 0.009 0.000 2.159 453 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 453 R C 2.093 178.399 176.300 0.010 0.000 1.131 453 R CA 1.401 57.505 56.100 0.007 0.000 0.982 453 R CB -0.153 30.149 30.300 0.004 0.000 0.868 453 R HN 0.396 nan 8.270 nan 0.000 0.453 454 A N -0.052 122.776 122.820 0.012 0.000 2.021 454 A HA 0.209 4.529 4.320 -0.000 0.000 0.216 454 A C 1.473 179.067 177.584 0.016 0.000 1.163 454 A CA 1.095 53.141 52.037 0.016 0.000 0.676 454 A CB -0.494 18.517 19.000 0.018 0.000 0.818 454 A HN 0.634 nan 8.150 nan 0.000 0.453 455 G N 0.668 109.477 108.800 0.015 0.000 2.596 455 G HA2 -0.504 3.456 3.960 -0.000 0.000 0.304 455 G HA3 -0.504 3.456 3.960 -0.000 0.000 0.304 455 G C 0.630 175.539 174.900 0.015 0.000 1.189 455 G CA 1.424 46.533 45.100 0.014 0.000 0.986 455 G HN 0.994 nan 8.290 nan 0.000 0.548 456 D N 0.833 121.242 120.400 0.015 0.000 2.347 456 D HA 0.114 4.754 4.640 -0.000 0.000 0.213 456 D C 1.427 177.744 176.300 0.028 0.000 0.985 456 D CA 0.520 54.529 54.000 0.016 0.000 0.879 456 D CB -0.128 40.679 40.800 0.012 0.000 0.919 456 D HN 0.603 nan 8.370 nan 0.000 0.526 457 R N 1.336 121.853 120.500 0.029 0.000 2.540 457 R HA 0.042 4.382 4.340 -0.000 0.000 0.317 457 R C 0.609 176.934 176.300 0.042 0.000 1.233 457 R CA 0.140 56.263 56.100 0.037 0.000 1.003 457 R CB 0.047 30.367 30.300 0.034 0.000 1.034 457 R HN 0.395 nan 8.270 nan 0.000 0.483 458 E N 1.301 121.534 120.200 0.055 0.000 2.268 458 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 458 E C 0.841 177.473 176.600 0.054 0.000 0.995 458 E CA 0.598 57.034 56.400 0.060 0.000 0.836 458 E CB 0.102 29.855 29.700 0.090 0.000 0.763 458 E HN 0.587 nan 8.360 nan 0.000 0.491 459 D N 0.516 120.947 120.400 0.053 0.000 2.265 459 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 459 D C 1.678 178.007 176.300 0.049 0.000 0.977 459 D CA 0.911 54.943 54.000 0.053 0.000 0.871 459 D CB 0.245 41.078 40.800 0.055 0.000 0.925 459 D HN 0.260 nan 8.370 nan 0.000 0.485 460 I N -0.499 120.096 120.570 0.042 0.000 3.345 460 I HA -0.117 4.052 4.170 -0.000 0.000 0.258 460 I C 2.629 178.763 176.117 0.027 0.000 1.134 460 I CA 0.678 61.998 61.300 0.035 0.000 1.457 460 I CB -0.819 37.199 38.000 0.030 0.000 1.425 460 I HN -0.121 nan 8.210 nan 0.000 0.461 461 T N -0.519 114.051 114.554 0.026 0.000 2.680 461 T HA -0.318 4.032 4.350 -0.000 0.000 0.268 461 T C 1.640 176.351 174.700 0.018 0.000 1.033 461 T CA 2.141 64.253 62.100 0.020 0.000 1.152 461 T CB -0.618 68.262 68.868 0.020 0.000 0.859 461 T HN 0.423 nan 8.240 nan 0.000 0.452 462 E N 1.883 122.100 120.200 0.028 0.000 2.017 462 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 462 E C -0.288 176.321 176.600 0.015 0.000 0.997 462 E CA 1.256 57.674 56.400 0.030 0.000 0.804 462 E CB -0.557 29.172 29.700 0.049 0.000 0.757 462 E HN 0.458 nan 8.360 nan 0.000 0.448 463 P HA -0.168 nan 4.420 nan 0.000 0.215 463 P C 1.059 178.349 177.300 -0.017 0.000 1.153 463 P CA 1.934 65.042 63.100 0.014 0.000 0.853 463 P CB -0.079 31.641 31.700 0.034 0.000 0.788 464 A N 0.139 122.954 122.820 -0.008 0.000 1.898 464 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 464 A C 2.310 179.870 177.584 -0.039 0.000 1.181 464 A CA 1.246 53.273 52.037 -0.018 0.000 0.620 464 A CB -1.338 17.661 19.000 -0.002 0.000 0.819 464 A HN 0.040 nan 8.150 nan 0.000 0.442 465 I N -0.262 120.289 120.570 -0.032 0.000 2.394 465 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 465 I C 2.431 178.490 176.117 -0.096 0.000 1.136 465 I CA 0.952 62.229 61.300 -0.039 0.000 1.425 465 I CB -1.290 36.701 38.000 -0.014 0.000 1.079 465 I HN 0.370 nan 8.210 nan 0.000 0.425 466 C N 0.715 119.933 119.300 -0.136 0.000 2.440 466 C HA -0.081 4.379 4.460 -0.000 0.000 0.278 466 C C 3.130 177.718 174.990 -0.670 0.000 1.295 466 C CA 0.881 59.712 59.018 -0.310 0.000 1.738 466 C CB -1.115 26.505 27.740 -0.201 0.000 1.987 466 C HN 0.581 nan 8.230 nan 0.000 0.492 467 A N 0.385 122.978 122.820 -0.379 0.000 1.902 467 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 467 A C 2.106 179.602 177.584 -0.147 0.000 1.181 467 A CA 1.442 53.326 52.037 -0.256 0.000 0.623 467 A CB -0.637 18.318 19.000 -0.075 0.000 0.818 467 A HN 0.606 nan 8.150 nan 0.000 0.443 468 L N -1.123 120.043 121.223 -0.096 0.000 2.083 468 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 468 L C 2.792 179.656 176.870 -0.010 0.000 1.083 468 L CA 1.684 56.510 54.840 -0.024 0.000 0.752 468 L CB -0.445 41.608 42.059 -0.010 0.000 0.899 468 L HN 0.491 nan 8.230 nan 0.000 0.433 469 R N -0.394 120.064 120.500 -0.070 0.000 2.081 469 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 469 R C 2.236 178.612 176.300 0.127 0.000 1.131 469 R CA 1.684 57.787 56.100 0.004 0.000 0.960 469 R CB -0.268 30.022 30.300 -0.016 0.000 0.856 469 R HN 0.493 nan 8.270 nan 0.000 0.436 470 H N -0.163 118.946 119.070 0.064 0.000 2.357 470 H HA -0.070 4.486 4.556 -0.000 0.000 0.301 470 H C 2.069 177.461 175.328 0.106 0.000 1.082 470 H CA 1.279 57.371 56.048 0.073 0.000 1.342 470 H CB 0.022 29.815 29.762 0.051 0.000 1.389 470 H HN 0.187 nan 8.280 nan 0.000 0.511 471 L N 0.765 122.117 121.223 0.214 0.000 2.376 471 L HA -0.068 4.272 4.340 -0.000 0.000 0.219 471 L C 1.718 178.770 176.870 0.304 0.000 1.133 471 L CA 1.076 56.041 54.840 0.207 0.000 0.816 471 L CB -0.244 41.890 42.059 0.125 0.000 0.933 471 L HN 0.382 nan 8.230 nan 0.000 0.449 472 T N -3.667 111.002 114.554 0.192 0.000 3.244 472 T HA 0.250 4.600 4.350 -0.000 0.000 0.254 472 T C 0.366 175.112 174.700 0.077 0.000 1.024 472 T CA -0.018 62.153 62.100 0.118 0.000 0.920 472 T CB -0.226 68.683 68.868 0.068 0.000 1.042 472 T HN 0.281 nan 8.240 nan 0.000 0.572 473 S N 0.283 116.065 115.700 0.137 0.000 2.587 473 S HA 0.566 5.036 4.470 -0.000 0.000 0.269 473 S C -0.608 174.074 174.600 0.136 0.000 1.154 473 S CA -1.388 56.857 58.200 0.076 0.000 0.824 473 S CB 1.221 64.470 63.200 0.082 0.000 1.118 473 S HN 0.333 nan 8.310 nan 0.000 0.462 474 R N 0.461 120.990 120.500 0.048 0.000 3.251 474 R HA -0.209 4.131 4.340 -0.000 0.000 0.249 474 R C -0.556 175.840 176.300 0.159 0.000 0.949 474 R CA 1.631 57.774 56.100 0.072 0.000 0.645 474 R CB -2.855 27.497 30.300 0.087 0.000 1.065 474 R HN 1.140 nan 8.270 nan 0.000 0.452 475 H N -4.724 114.355 119.070 0.016 0.000 3.081 475 H HA 0.162 4.718 4.556 -0.000 0.000 0.322 475 H C 0.460 175.783 175.328 -0.008 0.000 1.266 475 H CA -0.722 55.332 56.048 0.010 0.000 1.279 475 H CB 0.548 30.361 29.762 0.084 0.000 1.954 475 H HN -0.037 nan 8.280 nan 0.000 0.530 476 Q N 0.151 119.968 119.800 0.029 0.000 2.250 476 Q HA -0.191 4.149 4.340 -0.000 0.000 0.215 476 Q C 0.102 176.063 176.000 -0.064 0.000 1.002 476 Q CA 2.036 57.827 55.803 -0.020 0.000 0.910 476 Q CB 0.022 28.773 28.738 0.022 0.000 0.939 476 Q HN 0.567 nan 8.270 nan 0.000 0.416 477 E N -1.405 118.768 120.200 -0.045 0.000 3.105 477 E HA 0.250 4.600 4.350 -0.000 0.000 0.219 477 E C 0.222 176.647 176.600 -0.292 0.000 1.064 477 E CA 0.011 56.377 56.400 -0.058 0.000 1.342 477 E CB 0.824 30.609 29.700 0.142 0.000 1.295 477 E HN 0.285 nan 8.360 nan 0.000 0.438 478 A N 1.084 123.548 122.820 -0.593 0.000 1.929 478 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 478 A C 2.071 179.555 177.584 -0.167 0.000 1.176 478 A CA 1.414 53.166 52.037 -0.474 0.000 0.628 478 A CB -0.130 18.636 19.000 -0.390 0.000 0.816 478 A HN 0.372 nan 8.150 nan 0.000 0.444 479 E N -0.693 119.424 120.200 -0.138 0.000 2.072 479 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 479 E C 1.976 178.542 176.600 -0.056 0.000 0.985 479 E CA 1.482 57.833 56.400 -0.083 0.000 0.801 479 E CB -0.493 29.161 29.700 -0.076 0.000 0.750 479 E HN 0.526 nan 8.360 nan 0.000 0.452 480 M N 0.957 120.532 119.600 -0.042 0.000 2.202 480 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 480 M C 2.178 178.483 176.300 0.009 0.000 1.063 480 M CA 1.904 57.197 55.300 -0.012 0.000 1.097 480 M CB -0.057 32.553 32.600 0.016 0.000 1.382 480 M HN 0.326 nan 8.290 nan 0.000 0.413 481 A N -0.232 122.606 122.820 0.030 0.000 1.843 481 A HA -0.167 4.153 4.320 -0.000 0.000 0.213 481 A C 1.881 179.481 177.584 0.027 0.000 1.202 481 A CA 1.504 53.579 52.037 0.063 0.000 0.607 481 A CB -0.840 18.238 19.000 0.129 0.000 0.847 481 A HN 0.622 nan 8.150 nan 0.000 0.445 482 Q N -0.122 119.681 119.800 0.004 0.000 2.118 482 Q HA -0.270 4.070 4.340 -0.000 0.000 0.211 482 Q C 2.149 178.130 176.000 -0.031 0.000 0.998 482 Q CA 1.801 57.597 55.803 -0.012 0.000 0.872 482 Q CB -0.409 28.310 28.738 -0.032 0.000 0.925 482 Q HN 0.759 nan 8.270 nan 0.000 0.414 483 N N 0.297 118.969 118.700 -0.046 0.000 2.120 483 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 483 N C 1.673 177.132 175.510 -0.085 0.000 1.024 483 N CA 1.452 54.459 53.050 -0.071 0.000 0.852 483 N CB -0.072 38.372 38.487 -0.073 0.000 1.003 483 N HN 0.260 nan 8.380 nan 0.000 0.424 484 A N 0.631 123.416 122.820 -0.058 0.000 2.015 484 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 484 A C 2.375 179.934 177.584 -0.042 0.000 1.163 484 A CA 0.995 52.983 52.037 -0.081 0.000 0.646 484 A CB -0.530 18.478 19.000 0.013 0.000 0.806 484 A HN 0.199 nan 8.150 nan 0.000 0.448 485 V N -0.196 119.721 119.914 0.006 0.000 2.913 485 V HA -0.193 3.927 4.120 -0.000 0.000 0.260 485 V C 2.472 178.552 176.094 -0.023 0.000 1.098 485 V CA 2.063 64.383 62.300 0.033 0.000 1.121 485 V CB -0.881 30.960 31.823 0.029 0.000 0.714 485 V HN 0.679 nan 8.190 nan 0.000 0.487 486 R N 0.177 120.619 120.500 -0.098 0.000 2.057 486 R HA 0.052 4.392 4.340 -0.000 0.000 0.224 486 R C 2.177 178.275 176.300 -0.337 0.000 1.136 486 R CA 0.909 56.908 56.100 -0.167 0.000 0.968 486 R CB -0.188 30.023 30.300 -0.149 0.000 0.863 486 R HN 0.408 nan 8.270 nan 0.000 0.433 487 L N 0.115 121.130 121.223 -0.347 0.000 2.447 487 L HA -0.149 4.191 4.340 -0.000 0.000 0.225 487 L C 0.954 177.503 176.870 -0.535 0.000 1.148 487 L CA 1.218 55.771 54.840 -0.477 0.000 0.808 487 L CB -0.303 41.506 42.059 -0.416 0.000 0.928 487 L HN 0.401 nan 8.230 nan 0.000 0.448 488 H N -2.592 116.348 119.070 -0.217 0.000 2.674 488 H HA 0.115 4.671 4.556 -0.000 0.000 0.274 488 H C -0.560 174.874 175.328 0.178 0.000 1.121 488 H CA -0.459 55.607 56.048 0.030 0.000 1.132 488 H CB 0.467 30.259 29.762 0.051 0.000 1.606 488 H HN 0.085 nan 8.280 nan 0.000 0.558 489 Y N -0.966 119.389 120.300 0.092 0.000 3.305 489 Y HA -0.252 4.298 4.550 -0.000 0.000 0.209 489 Y C 1.646 177.575 175.900 0.049 0.000 1.354 489 Y CA 0.386 58.519 58.100 0.055 0.000 1.392 489 Y CB -1.804 36.685 38.460 0.049 0.000 1.446 489 Y HN 0.460 nan 8.280 nan 0.000 0.553 490 G N -0.374 108.484 108.800 0.096 0.000 2.459 490 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.213 490 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.213 490 G C 1.483 176.414 174.900 0.050 0.000 1.155 490 G CA 0.608 45.754 45.100 0.077 0.000 0.811 490 G HN 0.437 nan 8.290 nan 0.000 0.534 491 L N 0.981 122.221 121.223 0.029 0.000 2.010 491 L HA -0.156 4.184 4.340 -0.000 0.000 0.219 491 L C 0.185 177.072 176.870 0.028 0.000 1.077 491 L CA 1.740 56.591 54.840 0.019 0.000 0.773 491 L CB -1.608 40.455 42.059 0.007 0.000 0.892 491 L HN 0.175 nan 8.230 nan 0.000 0.436 492 P HA -0.211 nan 4.420 nan 0.000 0.216 492 P C 1.928 179.248 177.300 0.033 0.000 1.157 492 P CA 1.491 64.621 63.100 0.048 0.000 0.880 492 P CB 0.015 31.758 31.700 0.072 0.000 0.791 493 V N -1.144 118.791 119.914 0.036 0.000 2.951 493 V HA -0.099 4.021 4.120 -0.000 0.000 0.255 493 V C 1.971 178.067 176.094 0.002 0.000 1.088 493 V CA 1.191 63.505 62.300 0.023 0.000 1.109 493 V CB -0.616 31.225 31.823 0.030 0.000 0.724 493 V HN -0.124 nan 8.190 nan 0.000 0.471 494 V N -0.316 119.599 119.914 0.001 0.000 2.239 494 V HA -0.162 3.958 4.120 -0.000 0.000 0.242 494 V C 2.474 178.540 176.094 -0.047 0.000 1.038 494 V CA 2.161 64.454 62.300 -0.013 0.000 1.002 494 V CB -0.426 31.396 31.823 -0.002 0.000 0.641 494 V HN 0.390 nan 8.190 nan 0.000 0.449 495 V N 0.345 120.228 119.914 -0.051 0.000 2.453 495 V HA -0.332 3.788 4.120 -0.000 0.000 0.252 495 V C 2.440 178.396 176.094 -0.231 0.000 1.068 495 V CA 2.470 64.706 62.300 -0.107 0.000 1.070 495 V CB -0.745 31.042 31.823 -0.060 0.000 0.664 495 V HN 0.608 nan 8.190 nan 0.000 0.461 496 K N -0.088 120.230 120.400 -0.137 0.000 2.211 496 K HA -0.103 4.217 4.320 -0.000 0.000 0.203 496 K C 1.902 178.419 176.600 -0.139 0.000 1.050 496 K CA 1.220 57.439 56.287 -0.113 0.000 0.945 496 K CB -0.177 32.341 32.500 0.029 0.000 0.732 496 K HN 0.439 nan 8.250 nan 0.000 0.451 497 L N 1.104 122.261 121.223 -0.109 0.000 2.549 497 L HA -0.077 4.263 4.340 -0.000 0.000 0.229 497 L C 1.661 178.463 176.870 -0.114 0.000 1.158 497 L CA 0.370 55.164 54.840 -0.077 0.000 0.842 497 L CB -0.091 41.942 42.059 -0.043 0.000 0.952 497 L HN 0.219 nan 8.230 nan 0.000 0.452 498 L N -1.810 119.287 121.223 -0.210 0.000 2.418 498 L HA 0.025 4.365 4.340 -0.000 0.000 0.218 498 L C 0.913 177.696 176.870 -0.146 0.000 1.125 498 L CA -0.102 54.627 54.840 -0.186 0.000 0.835 498 L CB -0.427 41.515 42.059 -0.194 0.000 0.953 498 L HN 0.259 nan 8.230 nan 0.000 0.454 499 H N -0.212 118.815 119.070 -0.073 0.000 2.544 499 H HA 0.297 4.853 4.556 -0.000 0.000 0.365 499 H C -2.025 173.233 175.328 -0.118 0.000 1.268 499 H CA -2.565 53.432 56.048 -0.084 0.000 1.400 499 H CB -0.103 29.626 29.762 -0.054 0.000 1.538 499 H HN -0.211 nan 8.280 nan 0.000 0.597 500 P HA 0.053 nan 4.420 nan 0.000 0.272 500 P C -1.747 175.521 177.300 -0.054 0.000 1.223 500 P CA -0.911 62.141 63.100 -0.080 0.000 0.784 500 P CB 0.265 31.912 31.700 -0.089 0.000 0.923 501 P HA 0.135 nan 4.420 nan 0.000 0.243 501 P C -0.592 176.557 177.300 -0.251 0.000 1.672 501 P CA 0.023 63.019 63.100 -0.174 0.000 1.000 501 P CB 0.151 31.767 31.700 -0.141 0.000 1.562 502 S N 0.826 116.412 115.700 -0.189 0.000 2.549 502 S HA 0.083 4.553 4.470 -0.000 0.000 0.286 502 S C 0.540 174.966 174.600 -0.291 0.000 1.314 502 S CA -0.028 58.068 58.200 -0.175 0.000 1.062 502 S CB 0.127 63.258 63.200 -0.116 0.000 0.865 502 S HN 0.312 nan 8.310 nan 0.000 0.498 503 H N 0.897 119.901 119.070 -0.108 0.000 2.509 503 H HA 0.110 4.666 4.556 -0.000 0.000 0.360 503 H C 0.710 175.961 175.328 -0.129 0.000 1.398 503 H CA -0.354 55.620 56.048 -0.122 0.000 1.429 503 H CB 0.354 30.116 29.762 0.001 0.000 1.611 503 H HN 0.802 nan 8.280 nan 0.000 0.606 504 W N 0.442 121.864 121.300 0.203 0.000 2.355 504 W HA -0.077 4.583 4.660 -0.000 0.000 0.309 504 W C -0.615 175.962 176.519 0.097 0.000 1.206 504 W CA 0.570 57.986 57.345 0.118 0.000 1.284 504 W CB -1.402 28.120 29.460 0.105 0.000 1.145 504 W HN 0.609 nan 8.180 nan 0.000 0.502 505 P HA -0.254 nan 4.420 nan 0.000 0.216 505 P C 1.698 179.101 177.300 0.173 0.000 1.154 505 P CA 1.605 64.836 63.100 0.218 0.000 0.865 505 P CB -0.269 31.527 31.700 0.161 0.000 0.789 506 L N -1.136 120.175 121.223 0.148 0.000 2.072 506 L HA -0.048 4.292 4.340 -0.000 0.000 0.205 506 L C 2.157 179.077 176.870 0.083 0.000 1.079 506 L CA 1.606 56.502 54.840 0.094 0.000 0.752 506 L CB -1.108 40.991 42.059 0.066 0.000 0.906 506 L HN -0.127 nan 8.230 nan 0.000 0.436 507 I N -0.246 120.374 120.570 0.084 0.000 2.335 507 I HA -0.307 3.863 4.170 -0.000 0.000 0.251 507 I C 2.563 178.778 176.117 0.164 0.000 1.129 507 I CA 1.450 62.791 61.300 0.069 0.000 1.402 507 I CB -0.399 37.572 38.000 -0.049 0.000 1.069 507 I HN 0.384 nan 8.210 nan 0.000 0.424 508 K N 1.513 122.054 120.400 0.236 0.000 1.984 508 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 508 K C 2.258 178.932 176.600 0.125 0.000 1.046 508 K CA 1.608 58.015 56.287 0.200 0.000 0.934 508 K CB -0.181 32.434 32.500 0.191 0.000 0.717 508 K HN 0.233 nan 8.250 nan 0.000 0.438 509 A N 0.662 123.546 122.820 0.107 0.000 1.948 509 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 509 A C 2.157 179.773 177.584 0.053 0.000 1.177 509 A CA 2.336 54.417 52.037 0.073 0.000 0.636 509 A CB -1.026 18.009 19.000 0.058 0.000 0.815 509 A HN 0.509 nan 8.150 nan 0.000 0.449 510 T N -0.809 113.776 114.554 0.050 0.000 2.951 510 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 510 T C 1.757 176.478 174.700 0.035 0.000 1.073 510 T CA 1.185 63.302 62.100 0.028 0.000 1.134 510 T CB -0.163 68.709 68.868 0.007 0.000 0.884 510 T HN 0.161 nan 8.240 nan 0.000 0.479 511 V N 1.302 121.252 119.914 0.059 0.000 2.515 511 V HA -0.041 4.078 4.120 -0.000 0.000 0.250 511 V C 2.732 178.861 176.094 0.058 0.000 1.058 511 V CA 1.867 64.206 62.300 0.065 0.000 1.064 511 V CB -1.006 30.875 31.823 0.097 0.000 0.675 511 V HN 0.567 nan 8.190 nan 0.000 0.461 512 G N -0.313 108.524 108.800 0.061 0.000 2.394 512 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.215 512 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.215 512 G C 1.529 176.459 174.900 0.049 0.000 1.165 512 G CA 0.929 46.064 45.100 0.059 0.000 0.784 512 G HN 0.417 nan 8.290 nan 0.000 0.535 513 L N 1.181 122.427 121.223 0.039 0.000 1.994 513 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 513 L C 2.704 179.591 176.870 0.029 0.000 1.071 513 L CA 1.430 56.288 54.840 0.029 0.000 0.745 513 L CB -0.738 41.330 42.059 0.016 0.000 0.892 513 L HN 0.282 nan 8.230 nan 0.000 0.431 514 I N -0.562 120.024 120.570 0.027 0.000 2.151 514 I HA -0.365 3.805 4.170 -0.000 0.000 0.243 514 I C 2.748 178.885 176.117 0.033 0.000 1.080 514 I CA 1.709 63.025 61.300 0.027 0.000 1.339 514 I CB -0.512 37.503 38.000 0.025 0.000 1.039 514 I HN 0.354 nan 8.210 nan 0.000 0.409 515 R N 1.205 121.726 120.500 0.036 0.000 2.097 515 R HA -0.233 4.107 4.340 -0.000 0.000 0.236 515 R C 2.199 178.515 176.300 0.027 0.000 1.135 515 R CA 2.371 58.490 56.100 0.032 0.000 0.934 515 R CB -0.231 30.091 30.300 0.036 0.000 0.846 515 R HN 0.327 nan 8.270 nan 0.000 0.431 516 N N 0.551 119.269 118.700 0.031 0.000 2.069 516 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 516 N C 1.754 177.274 175.510 0.017 0.000 1.031 516 N CA 1.338 54.403 53.050 0.025 0.000 0.852 516 N CB -0.291 38.219 38.487 0.038 0.000 1.018 516 N HN 0.256 nan 8.380 nan 0.000 0.423 517 L N -0.021 121.214 121.223 0.020 0.000 2.362 517 L HA -0.023 4.317 4.340 -0.000 0.000 0.219 517 L C 1.958 178.837 176.870 0.015 0.000 1.134 517 L CA 0.664 55.509 54.840 0.010 0.000 0.807 517 L CB -0.291 41.775 42.059 0.010 0.000 0.927 517 L HN 0.145 nan 8.230 nan 0.000 0.447 518 A N -0.482 122.367 122.820 0.048 0.000 2.123 518 A HA 0.014 4.334 4.320 -0.000 0.000 0.214 518 A C 2.163 179.828 177.584 0.135 0.000 1.152 518 A CA 0.423 52.534 52.037 0.125 0.000 0.728 518 A CB -0.332 18.741 19.000 0.121 0.000 0.814 518 A HN 0.342 nan 8.150 nan 0.000 0.464 519 L N -0.758 120.492 121.223 0.045 0.000 2.191 519 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 519 L C 1.297 178.150 176.870 -0.029 0.000 1.103 519 L CA 0.335 55.186 54.840 0.019 0.000 0.769 519 L CB -0.375 41.676 42.059 -0.012 0.000 0.908 519 L HN 0.528 nan 8.230 nan 0.000 0.438 520 C N 2.297 121.544 119.300 -0.088 0.000 2.322 520 C HA 0.216 4.676 4.460 -0.000 0.000 0.343 520 C C -0.266 174.494 174.990 -0.384 0.000 1.190 520 C CA -2.101 56.817 59.018 -0.166 0.000 1.704 520 C CB 0.161 27.825 27.740 -0.126 0.000 2.293 520 C HN 0.168 nan 8.230 nan 0.000 0.523 521 P HA -0.197 nan 4.420 nan 0.000 0.218 521 P C 1.220 178.205 177.300 -0.526 0.000 1.152 521 P CA 2.504 65.199 63.100 -0.675 0.000 0.857 521 P CB 0.011 31.582 31.700 -0.216 0.000 0.787 522 A N -1.170 121.483 122.820 -0.278 0.000 2.248 522 A HA -0.092 4.228 4.320 -0.000 0.000 0.210 522 A C 1.864 179.353 177.584 -0.158 0.000 1.174 522 A CA 1.048 52.984 52.037 -0.168 0.000 0.750 522 A CB -1.093 17.836 19.000 -0.119 0.000 0.780 522 A HN 0.136 nan 8.150 nan 0.000 0.478 523 N N -1.089 117.472 118.700 -0.232 0.000 2.282 523 N HA 0.089 4.829 4.740 -0.000 0.000 0.185 523 N C 1.142 176.654 175.510 0.003 0.000 1.099 523 N CA 0.358 53.341 53.050 -0.111 0.000 0.878 523 N CB -0.278 38.154 38.487 -0.091 0.000 0.993 523 N HN 0.743 nan 8.380 nan 0.000 0.481 524 H N 0.207 119.275 119.070 -0.003 0.000 2.267 524 H HA -0.068 4.488 4.556 -0.000 0.000 0.297 524 H C 1.919 177.259 175.328 0.021 0.000 1.080 524 H CA 1.482 57.537 56.048 0.010 0.000 1.278 524 H CB 0.149 29.921 29.762 0.016 0.000 1.365 524 H HN 0.197 nan 8.280 nan 0.000 0.489 525 A N 1.210 124.124 122.820 0.156 0.000 1.865 525 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 525 A C -0.162 177.453 177.584 0.053 0.000 1.191 525 A CA 1.741 53.832 52.037 0.089 0.000 0.623 525 A CB -1.382 17.652 19.000 0.058 0.000 0.826 525 A HN 0.312 nan 8.150 nan 0.000 0.444 526 P HA -0.135 nan 4.420 nan 0.000 0.215 526 P C 1.489 178.807 177.300 0.029 0.000 1.157 526 P CA 0.886 63.997 63.100 0.018 0.000 0.868 526 P CB -0.141 31.555 31.700 -0.007 0.000 0.788 527 L N -1.197 120.052 121.223 0.043 0.000 2.131 527 L HA -0.148 4.191 4.340 -0.000 0.000 0.210 527 L C 2.784 179.681 176.870 0.045 0.000 1.092 527 L CA 1.306 56.172 54.840 0.044 0.000 0.759 527 L CB -0.462 41.634 42.059 0.062 0.000 0.903 527 L HN -0.066 nan 8.230 nan 0.000 0.435 528 R N 0.556 121.088 120.500 0.053 0.000 2.057 528 R HA -0.137 4.203 4.340 -0.000 0.000 0.229 528 R C 1.924 178.247 176.300 0.039 0.000 1.136 528 R CA 1.312 57.441 56.100 0.048 0.000 0.952 528 R CB -0.073 30.261 30.300 0.056 0.000 0.848 528 R HN 0.341 nan 8.270 nan 0.000 0.430 529 E N 0.041 120.261 120.200 0.032 0.000 2.409 529 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 529 E C 1.434 178.053 176.600 0.032 0.000 1.024 529 E CA 0.409 56.824 56.400 0.025 0.000 0.861 529 E CB 0.221 29.931 29.700 0.017 0.000 0.788 529 E HN 0.347 nan 8.360 nan 0.000 0.521 530 Q N -0.515 119.307 119.800 0.036 0.000 2.360 530 Q HA 0.075 4.415 4.340 -0.000 0.000 0.202 530 Q C 0.734 176.766 176.000 0.053 0.000 0.915 530 Q CA 0.450 56.278 55.803 0.041 0.000 0.943 530 Q CB 1.163 29.921 28.738 0.034 0.000 1.064 530 Q HN 0.361 nan 8.270 nan 0.000 0.511 531 G N 0.799 109.630 108.800 0.051 0.000 2.291 531 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.271 531 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.271 531 G C 0.719 175.656 174.900 0.062 0.000 1.099 531 G CA 0.445 45.584 45.100 0.065 0.000 0.919 531 G HN 0.428 nan 8.290 nan 0.000 0.496 532 A N -0.265 122.579 122.820 0.041 0.000 1.861 532 A HA 0.407 4.727 4.320 -0.000 0.000 0.212 532 A C 2.399 180.008 177.584 0.042 0.000 1.199 532 A CA 1.522 53.575 52.037 0.027 0.000 0.613 532 A CB -0.256 18.758 19.000 0.023 0.000 0.846 532 A HN 0.802 nan 8.150 nan 0.000 0.446 533 I N 0.462 121.061 120.570 0.048 0.000 2.113 533 I HA -0.239 3.930 4.170 -0.000 0.000 0.242 533 I C -0.554 175.600 176.117 0.062 0.000 1.064 533 I CA 1.907 63.241 61.300 0.056 0.000 1.320 533 I CB -1.590 36.442 38.000 0.054 0.000 1.028 533 I HN 0.205 nan 8.210 nan 0.000 0.406 534 P HA -0.190 nan 4.420 nan 0.000 0.216 534 P C 1.590 178.932 177.300 0.070 0.000 1.153 534 P CA 1.445 64.581 63.100 0.059 0.000 0.858 534 P CB -0.036 31.698 31.700 0.057 0.000 0.789 535 R N -0.422 120.130 120.500 0.087 0.000 2.119 535 R HA 0.069 4.408 4.340 -0.000 0.000 0.222 535 R C 2.198 178.541 176.300 0.072 0.000 1.088 535 R CA 1.129 57.288 56.100 0.098 0.000 0.984 535 R CB -1.534 28.842 30.300 0.127 0.000 0.884 535 R HN 0.134 nan 8.270 nan 0.000 0.447 536 L N -0.490 120.771 121.223 0.063 0.000 2.083 536 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 536 L C 2.076 179.001 176.870 0.092 0.000 1.083 536 L CA 0.998 55.883 54.840 0.074 0.000 0.752 536 L CB -0.308 41.794 42.059 0.070 0.000 0.899 536 L HN 0.033 nan 8.230 nan 0.000 0.433 537 V N -0.848 119.116 119.914 0.083 0.000 2.407 537 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 537 V C 2.419 178.547 176.094 0.056 0.000 1.055 537 V CA 1.404 63.745 62.300 0.068 0.000 1.049 537 V CB -0.393 31.458 31.823 0.047 0.000 0.662 537 V HN 0.470 nan 8.190 nan 0.000 0.455 538 Q N -0.727 119.112 119.800 0.065 0.000 2.245 538 Q HA 0.073 4.413 4.340 -0.000 0.000 0.201 538 Q C 2.195 178.257 176.000 0.104 0.000 0.955 538 Q CA 1.035 56.879 55.803 0.068 0.000 0.870 538 Q CB -0.157 28.617 28.738 0.059 0.000 0.945 538 Q HN 0.541 nan 8.270 nan 0.000 0.461 539 L N 0.088 121.387 121.223 0.128 0.000 2.056 539 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 539 L C 2.258 179.261 176.870 0.222 0.000 1.078 539 L CA 0.631 55.597 54.840 0.209 0.000 0.749 539 L CB -0.501 41.686 42.059 0.214 0.000 0.901 539 L HN 0.217 nan 8.230 nan 0.000 0.433 540 L N -0.394 120.923 121.223 0.157 0.000 2.042 540 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 540 L C 2.343 179.287 176.870 0.123 0.000 1.076 540 L CA 1.754 56.670 54.840 0.127 0.000 0.749 540 L CB -0.513 41.608 42.059 0.103 0.000 0.893 540 L HN -0.067 nan 8.230 nan 0.000 0.432 541 V N 0.028 120.003 119.914 0.102 0.000 2.295 541 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 541 V C 2.824 178.997 176.094 0.131 0.000 1.049 541 V CA 2.034 64.396 62.300 0.104 0.000 1.024 541 V CB -0.851 31.009 31.823 0.061 0.000 0.648 541 V HN 0.529 nan 8.190 nan 0.000 0.447 542 R N 0.963 121.550 120.500 0.144 0.000 2.120 542 R HA -0.070 4.270 4.340 -0.000 0.000 0.234 542 R C 2.070 178.452 176.300 0.136 0.000 1.123 542 R CA 1.834 58.030 56.100 0.161 0.000 0.975 542 R CB -0.877 29.569 30.300 0.243 0.000 0.866 542 R HN 0.468 nan 8.270 nan 0.000 0.446 543 A N -0.762 122.136 122.820 0.130 0.000 1.872 543 A HA -0.149 4.171 4.320 -0.000 0.000 0.214 543 A C 2.099 179.711 177.584 0.047 0.000 1.187 543 A CA 1.653 53.701 52.037 0.018 0.000 0.614 543 A CB -0.933 18.067 19.000 -0.001 0.000 0.826 543 A HN 0.593 nan 8.150 nan 0.000 0.442 544 H N -0.225 118.843 119.070 -0.003 0.000 2.319 544 H HA -0.124 4.432 4.556 -0.000 0.000 0.299 544 H C 2.119 177.443 175.328 -0.008 0.000 1.092 544 H CA 2.307 58.352 56.048 -0.005 0.000 1.302 544 H CB -0.300 29.465 29.762 0.005 0.000 1.373 544 H HN 0.558 nan 8.280 nan 0.000 0.497 545 Q N -0.261 119.505 119.800 -0.057 0.000 2.135 545 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 545 Q C 1.852 177.794 176.000 -0.097 0.000 0.981 545 Q CA 1.466 57.200 55.803 -0.115 0.000 0.856 545 Q CB 0.086 28.811 28.738 -0.021 0.000 0.902 545 Q HN 0.596 nan 8.270 nan 0.000 0.425 546 D N -0.278 120.089 120.400 -0.055 0.000 2.104 546 D HA -0.119 4.521 4.640 -0.000 0.000 0.194 546 D C 1.543 177.797 176.300 -0.076 0.000 0.994 546 D CA 1.552 55.521 54.000 -0.052 0.000 0.830 546 D CB -0.190 40.574 40.800 -0.061 0.000 0.959 546 D HN 0.231 nan 8.370 nan 0.000 0.452 547 T N 0.984 115.481 114.554 -0.095 0.000 3.139 547 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 547 T C 1.402 176.038 174.700 -0.107 0.000 1.164 547 T CA 0.731 62.778 62.100 -0.088 0.000 1.075 547 T CB 0.156 68.987 68.868 -0.062 0.000 0.904 547 T HN 0.150 nan 8.240 nan 0.000 0.540 548 Q N -0.781 118.937 119.800 -0.136 0.000 2.254 548 Q HA 0.280 4.620 4.340 -0.000 0.000 0.259 548 Q C 1.106 177.056 176.000 -0.082 0.000 0.815 548 Q CA -0.051 55.674 55.803 -0.130 0.000 0.961 548 Q CB 0.504 29.117 28.738 -0.209 0.000 1.140 548 Q HN 0.272 nan 8.270 nan 0.000 0.502 561 V N 1.810 121.788 119.914 0.107 0.000 2.508 561 V HA 0.442 4.562 4.120 -0.000 0.000 0.281 561 V C 1.066 177.251 176.094 0.152 0.000 1.041 561 V CA 0.585 62.942 62.300 0.096 0.000 1.016 561 V CB 0.287 32.111 31.823 0.003 0.000 0.984 561 V HN 0.600 nan 8.190 nan 0.000 0.478 562 E N 3.721 124.028 120.200 0.180 0.000 2.883 562 E HA -0.267 4.083 4.350 -0.000 0.000 0.271 562 E C 1.149 177.859 176.600 0.183 0.000 1.049 562 E CA 0.927 57.428 56.400 0.169 0.000 0.817 562 E CB -1.523 28.313 29.700 0.226 0.000 1.407 562 E HN 2.330 nan 8.360 nan 0.000 0.434 563 G N -1.420 107.545 108.800 0.275 0.000 2.175 563 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.244 563 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.244 563 G C 0.176 175.327 174.900 0.418 0.000 0.982 563 G CA 0.099 45.423 45.100 0.373 0.000 0.641 563 G HN 0.371 nan 8.290 nan 0.000 0.527 564 V N 2.106 122.142 119.914 0.203 0.000 2.378 564 V HA 0.504 4.624 4.120 -0.000 0.000 0.288 564 V C 0.693 176.595 176.094 -0.319 0.000 1.016 564 V CA -1.052 61.218 62.300 -0.050 0.000 0.840 564 V CB 1.385 33.204 31.823 -0.008 0.000 0.994 564 V HN 0.387 nan 8.190 nan 0.000 0.431 565 R N 4.856 125.024 120.500 -0.553 0.000 2.438 565 R HA 0.322 4.662 4.340 -0.000 0.000 0.287 565 R C 0.782 176.835 176.300 -0.411 0.000 1.077 565 R CA -0.623 55.106 56.100 -0.619 0.000 1.034 565 R CB 0.599 30.495 30.300 -0.674 0.000 0.993 565 R HN 0.525 nan 8.270 nan 0.000 0.459 566 M N 1.962 121.335 119.600 -0.379 0.000 2.460 566 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 566 M C 0.977 177.150 176.300 -0.213 0.000 1.071 566 M CA 1.540 56.625 55.300 -0.359 0.000 1.096 566 M CB -0.639 31.780 32.600 -0.302 0.000 1.408 566 M HN 0.532 nan 8.290 nan 0.000 0.463 567 E N 0.429 120.524 120.200 -0.175 0.000 2.152 567 E HA -0.116 4.233 4.350 -0.000 0.000 0.192 567 E C 1.810 178.361 176.600 -0.081 0.000 0.983 567 E CA 0.871 57.213 56.400 -0.096 0.000 0.818 567 E CB -0.285 29.364 29.700 -0.085 0.000 0.758 567 E HN 0.559 nan 8.360 nan 0.000 0.467 568 E N 0.283 120.413 120.200 -0.117 0.000 2.106 568 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 568 E C 1.747 178.325 176.600 -0.037 0.000 0.984 568 E CA 0.641 56.999 56.400 -0.071 0.000 0.806 568 E CB -0.009 29.641 29.700 -0.083 0.000 0.750 568 E HN 0.211 nan 8.360 nan 0.000 0.458 569 I N 0.666 121.193 120.570 -0.072 0.000 2.286 569 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 569 I C 2.405 178.537 176.117 0.026 0.000 1.104 569 I CA 0.859 62.152 61.300 -0.012 0.000 1.397 569 I CB -0.986 36.949 38.000 -0.109 0.000 1.072 569 I HN 0.001 nan 8.210 nan 0.000 0.417 570 V N 0.950 120.864 119.914 0.000 0.000 2.392 570 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 570 V C 2.590 178.711 176.094 0.045 0.000 1.059 570 V CA 1.972 64.295 62.300 0.038 0.000 1.051 570 V CB -0.610 31.237 31.823 0.041 0.000 0.658 570 V HN 0.471 nan 8.190 nan 0.000 0.455 571 E N -0.023 120.193 120.200 0.028 0.000 2.072 571 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 571 E C 2.279 178.905 176.600 0.045 0.000 0.982 571 E CA 1.155 57.574 56.400 0.032 0.000 0.803 571 E CB -0.296 29.416 29.700 0.020 0.000 0.755 571 E HN 0.576 nan 8.360 nan 0.000 0.453 572 G N 0.935 109.764 108.800 0.049 0.000 2.453 572 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.215 572 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.215 572 G C 1.787 176.728 174.900 0.069 0.000 1.201 572 G CA 1.019 46.155 45.100 0.060 0.000 0.784 572 G HN 0.380 nan 8.290 nan 0.000 0.545 573 C N 0.731 120.082 119.300 0.085 0.000 2.386 573 C HA -0.106 4.354 4.460 -0.000 0.000 0.279 573 C C 3.258 178.305 174.990 0.095 0.000 1.208 573 C CA 1.776 60.853 59.018 0.097 0.000 1.747 573 C CB -1.307 26.504 27.740 0.119 0.000 2.046 573 C HN 0.482 nan 8.230 nan 0.000 0.453 574 T N 0.353 114.969 114.554 0.103 0.000 2.849 574 T HA -0.072 4.278 4.350 -0.000 0.000 0.270 574 T C 1.824 176.541 174.700 0.029 0.000 1.066 574 T CA 1.618 63.770 62.100 0.086 0.000 1.130 574 T CB -0.569 68.347 68.868 0.080 0.000 0.864 574 T HN 0.755 nan 8.240 nan 0.000 0.481 575 G N 1.022 109.852 108.800 0.051 0.000 2.394 575 G HA2 0.066 4.026 3.960 -0.000 0.000 0.215 575 G HA3 0.066 4.026 3.960 -0.000 0.000 0.215 575 G C 1.829 176.754 174.900 0.043 0.000 1.165 575 G CA 0.660 45.797 45.100 0.061 0.000 0.784 575 G HN 0.577 nan 8.290 nan 0.000 0.535 576 A N 0.606 123.450 122.820 0.040 0.000 1.930 576 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 576 A C 2.421 180.013 177.584 0.014 0.000 1.175 576 A CA 1.170 53.224 52.037 0.027 0.000 0.627 576 A CB -0.373 18.652 19.000 0.041 0.000 0.815 576 A HN 0.346 nan 8.150 nan 0.000 0.443 577 L N -1.505 119.734 121.223 0.027 0.000 2.056 577 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 577 L C 2.596 179.442 176.870 -0.041 0.000 1.078 577 L CA 1.705 56.548 54.840 0.005 0.000 0.749 577 L CB -0.890 41.203 42.059 0.058 0.000 0.901 577 L HN 0.664 nan 8.230 nan 0.000 0.433 578 H N 0.537 119.496 119.070 -0.185 0.000 2.353 578 H HA -0.207 4.349 4.556 -0.000 0.000 0.298 578 H C 2.260 177.491 175.328 -0.162 0.000 1.103 578 H CA 1.699 57.608 56.048 -0.231 0.000 1.293 578 H CB 0.309 29.940 29.762 -0.218 0.000 1.372 578 H HN 0.208 nan 8.280 nan 0.000 0.501 579 I N 0.704 121.183 120.570 -0.152 0.000 2.286 579 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 579 I C 2.579 178.580 176.117 -0.194 0.000 1.104 579 I CA 0.710 61.891 61.300 -0.198 0.000 1.397 579 I CB -0.774 37.157 38.000 -0.115 0.000 1.072 579 I HN 0.353 nan 8.210 nan 0.000 0.417 580 L N 1.118 122.246 121.223 -0.158 0.000 2.131 580 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 580 L C 2.456 179.159 176.870 -0.277 0.000 1.092 580 L CA 0.905 55.598 54.840 -0.246 0.000 0.759 580 L CB -0.576 41.428 42.059 -0.093 0.000 0.903 580 L HN 0.173 nan 8.230 nan 0.000 0.435 581 A N -0.257 122.462 122.820 -0.167 0.000 2.263 581 A HA -0.097 4.223 4.320 -0.000 0.000 0.205 581 A C 2.077 179.574 177.584 -0.145 0.000 1.226 581 A CA 0.637 52.597 52.037 -0.129 0.000 0.810 581 A CB -0.617 18.327 19.000 -0.094 0.000 0.784 581 A HN 0.346 nan 8.150 nan 0.000 0.486 582 R N -0.454 119.908 120.500 -0.231 0.000 2.299 582 R HA 0.021 4.361 4.340 -0.000 0.000 0.197 582 R C -0.278 175.935 176.300 -0.145 0.000 0.971 582 R CA 0.328 56.327 56.100 -0.168 0.000 1.030 582 R CB 0.146 30.359 30.300 -0.145 0.000 0.932 582 R HN 0.441 nan 8.270 nan 0.000 0.477 583 D N -0.618 119.663 120.400 -0.199 0.000 2.248 583 D HA 0.017 4.657 4.640 -0.000 0.000 0.246 583 D C 0.784 177.008 176.300 -0.127 0.000 1.027 583 D CA -0.359 53.574 54.000 -0.111 0.000 0.853 583 D CB 2.287 43.053 40.800 -0.057 0.000 1.243 583 D HN -0.230 nan 8.370 nan 0.000 0.462 584 V N 5.008 124.803 119.914 -0.198 0.000 2.358 584 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 584 V C 1.792 177.768 176.094 -0.196 0.000 1.047 584 V CA 1.710 63.877 62.300 -0.223 0.000 1.035 584 V CB -0.602 31.047 31.823 -0.290 0.000 0.658 584 V HN 0.599 nan 8.190 nan 0.000 0.452 585 H N 0.475 119.544 119.070 -0.002 0.000 2.319 585 H HA -0.120 4.435 4.556 -0.000 0.000 0.299 585 H C 2.340 177.667 175.328 -0.002 0.000 1.092 585 H CA 1.902 57.952 56.048 0.003 0.000 1.302 585 H CB -0.774 28.995 29.762 0.011 0.000 1.373 585 H HN 0.436 nan 8.280 nan 0.000 0.497 586 N N 1.151 119.902 118.700 0.085 0.000 2.094 586 N HA -0.131 4.609 4.740 -0.000 0.000 0.191 586 N C 2.083 177.601 175.510 0.015 0.000 1.023 586 N CA 0.774 53.843 53.050 0.031 0.000 0.857 586 N CB -0.300 38.165 38.487 -0.038 0.000 1.013 586 N HN 0.384 nan 8.380 nan 0.000 0.426 587 R N 0.495 120.987 120.500 -0.012 0.000 2.083 587 R HA -0.041 4.299 4.340 -0.000 0.000 0.237 587 R C 2.311 178.622 176.300 0.019 0.000 1.137 587 R CA 1.044 57.139 56.100 -0.008 0.000 0.951 587 R CB -0.489 29.791 30.300 -0.033 0.000 0.851 587 R HN 0.270 nan 8.270 nan 0.000 0.434 588 I N 0.370 120.954 120.570 0.024 0.000 2.151 588 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 588 I C 2.358 178.500 176.117 0.041 0.000 1.080 588 I CA 1.390 62.711 61.300 0.035 0.000 1.339 588 I CB -0.375 37.656 38.000 0.052 0.000 1.039 588 I HN 0.011 nan 8.210 nan 0.000 0.409 589 V N 1.224 121.167 119.914 0.048 0.000 2.237 589 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 589 V C 2.327 178.452 176.094 0.051 0.000 1.046 589 V CA 2.056 64.384 62.300 0.046 0.000 1.007 589 V CB -0.455 31.398 31.823 0.049 0.000 0.638 589 V HN 0.318 nan 8.190 nan 0.000 0.445 590 I N -0.548 120.060 120.570 0.064 0.000 2.113 590 I HA -0.358 3.812 4.170 -0.000 0.000 0.242 590 I C 2.801 178.972 176.117 0.091 0.000 1.064 590 I CA 1.986 63.346 61.300 0.101 0.000 1.320 590 I CB -0.541 37.540 38.000 0.135 0.000 1.028 590 I HN 0.225 nan 8.210 nan 0.000 0.406 591 R N 0.611 121.155 120.500 0.073 0.000 2.083 591 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 591 R C 2.381 178.698 176.300 0.027 0.000 1.137 591 R CA 1.559 57.691 56.100 0.052 0.000 0.951 591 R CB -0.739 29.584 30.300 0.038 0.000 0.851 591 R HN 0.495 nan 8.270 nan 0.000 0.434 592 G N 0.398 109.215 108.800 0.027 0.000 2.516 592 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.221 592 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.221 592 G C 1.049 175.955 174.900 0.009 0.000 1.107 592 G CA 0.417 45.527 45.100 0.018 0.000 0.747 592 G HN 0.188 nan 8.290 nan 0.000 0.567 593 L N 0.295 121.522 121.223 0.006 0.000 2.848 593 L HA 0.210 4.550 4.340 -0.000 0.000 0.240 593 L C 0.691 177.538 176.870 -0.038 0.000 1.232 593 L CA -0.381 54.453 54.840 -0.010 0.000 1.031 593 L CB -0.806 41.251 42.059 -0.003 0.000 1.338 593 L HN 0.239 nan 8.230 nan 0.000 0.509 594 N N 1.440 120.119 118.700 -0.033 0.000 2.691 594 N HA -0.232 4.508 4.740 -0.000 0.000 0.277 594 N C 1.099 176.539 175.510 -0.117 0.000 1.029 594 N CA 0.924 53.942 53.050 -0.053 0.000 0.798 594 N CB -0.004 38.458 38.487 -0.042 0.000 0.922 594 N HN 0.540 nan 8.380 nan 0.000 0.562 595 T N -2.484 111.971 114.554 -0.165 0.000 3.015 595 T HA 0.172 4.522 4.350 -0.000 0.000 0.250 595 T C 1.837 176.225 174.700 -0.520 0.000 1.057 595 T CA 0.399 62.244 62.100 -0.425 0.000 1.066 595 T CB -0.071 68.491 68.868 -0.510 0.000 0.959 595 T HN 0.335 nan 8.240 nan 0.000 0.488 596 I N 2.336 122.812 120.570 -0.156 0.000 2.185 596 I HA -0.100 4.070 4.170 -0.000 0.000 0.246 596 I C -0.728 175.358 176.117 -0.052 0.000 1.088 596 I CA 1.402 62.706 61.300 0.007 0.000 1.347 596 I CB -0.797 37.236 38.000 0.054 0.000 1.041 596 I HN 0.233 nan 8.210 nan 0.000 0.415 597 P HA -0.151 nan 4.420 nan 0.000 0.221 597 P C 1.646 178.890 177.300 -0.094 0.000 1.150 597 P CA 0.974 64.038 63.100 -0.059 0.000 0.800 597 P CB 0.102 31.771 31.700 -0.051 0.000 0.787 598 L N -1.849 119.235 121.223 -0.231 0.000 2.131 598 L HA 0.005 4.345 4.340 -0.000 0.000 0.206 598 L C 1.839 178.571 176.870 -0.229 0.000 1.087 598 L CA 1.788 56.460 54.840 -0.281 0.000 0.767 598 L CB -1.282 40.534 42.059 -0.404 0.000 0.917 598 L HN -0.163 nan 8.230 nan 0.000 0.441 599 F N -1.006 118.895 119.950 -0.082 0.000 2.186 599 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 599 F C 2.490 178.254 175.800 -0.060 0.000 1.090 599 F CA 1.194 59.140 58.000 -0.091 0.000 1.307 599 F CB -1.455 37.493 39.000 -0.087 0.000 1.019 599 F HN -0.137 nan 8.300 nan 0.000 0.489 600 V N -0.315 119.685 119.914 0.143 0.000 2.332 600 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 600 V C 2.422 178.616 176.094 0.167 0.000 1.055 600 V CA 1.996 64.366 62.300 0.116 0.000 1.038 600 V CB -0.690 31.193 31.823 0.100 0.000 0.651 600 V HN 0.247 nan 8.190 nan 0.000 0.450 601 Q N -0.373 119.511 119.800 0.140 0.000 2.291 601 Q HA -0.030 4.310 4.340 -0.000 0.000 0.205 601 Q C 1.834 177.958 176.000 0.208 0.000 0.970 601 Q CA 1.299 57.225 55.803 0.204 0.000 0.876 601 Q CB -0.410 28.391 28.738 0.106 0.000 0.935 601 Q HN 0.638 nan 8.270 nan 0.000 0.455 602 L N -0.392 120.879 121.223 0.080 0.000 2.552 602 L HA -0.027 4.313 4.340 -0.000 0.000 0.227 602 L C 1.544 178.450 176.870 0.059 0.000 1.146 602 L CA 0.153 55.021 54.840 0.047 0.000 0.858 602 L CB -0.119 41.951 42.059 0.019 0.000 0.969 602 L HN 0.259 nan 8.230 nan 0.000 0.451 603 L N -1.580 119.673 121.223 0.049 0.000 2.156 603 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 603 L C 1.241 178.015 176.870 -0.161 0.000 1.095 603 L CA 0.932 55.709 54.840 -0.104 0.000 0.770 603 L CB -0.307 41.616 42.059 -0.226 0.000 0.914 603 L HN 0.245 nan 8.230 nan 0.000 0.439 604 Y N -0.364 119.951 120.300 0.026 0.000 2.506 604 Y HA 0.086 4.636 4.550 -0.000 0.000 0.333 604 Y C 1.301 177.223 175.900 0.037 0.000 1.177 604 Y CA -0.239 57.880 58.100 0.032 0.000 1.292 604 Y CB -0.337 38.146 38.460 0.037 0.000 1.124 604 Y HN -0.038 nan 8.280 nan 0.000 0.507 605 S N 1.927 117.699 115.700 0.120 0.000 2.565 605 S HA 0.174 4.643 4.470 -0.000 0.000 0.274 605 S C -1.216 173.421 174.600 0.061 0.000 1.309 605 S CA -1.465 56.791 58.200 0.093 0.000 1.043 605 S CB 0.910 64.150 63.200 0.067 0.000 0.939 605 S HN 0.169 nan 8.310 nan 0.000 0.504 606 P HA 0.178 nan 4.420 nan 0.000 0.241 606 P C -0.199 177.117 177.300 0.027 0.000 1.191 606 P CA 0.349 63.473 63.100 0.040 0.000 0.771 606 P CB -0.026 31.697 31.700 0.038 0.000 0.929 607 I N 0.386 120.972 120.570 0.025 0.000 2.353 607 I HA 0.145 4.315 4.170 -0.000 0.000 0.293 607 I C 1.651 177.777 176.117 0.015 0.000 0.992 607 I CA -0.554 60.756 61.300 0.017 0.000 1.268 607 I CB 1.383 39.391 38.000 0.014 0.000 1.387 607 I HN -0.241 nan 8.210 nan 0.000 0.478 608 E N 3.511 123.719 120.200 0.013 0.000 2.047 608 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 608 E C 1.293 177.903 176.600 0.016 0.000 0.987 608 E CA 1.053 57.460 56.400 0.012 0.000 0.799 608 E CB -0.039 29.669 29.700 0.012 0.000 0.752 608 E HN 0.600 nan 8.360 nan 0.000 0.449 609 N N 1.229 119.940 118.700 0.019 0.000 2.091 609 N HA -0.182 4.558 4.740 -0.000 0.000 0.193 609 N C 1.901 177.423 175.510 0.020 0.000 1.021 609 N CA 1.079 54.145 53.050 0.026 0.000 0.862 609 N CB -0.310 38.192 38.487 0.025 0.000 1.018 609 N HN 0.210 nan 8.380 nan 0.000 0.429 610 I N 1.279 121.857 120.570 0.014 0.000 2.202 610 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 610 I C 2.154 178.267 176.117 -0.007 0.000 1.091 610 I CA 1.100 62.406 61.300 0.009 0.000 1.368 610 I CB -0.290 37.722 38.000 0.020 0.000 1.058 610 I HN 0.190 nan 8.210 nan 0.000 0.410 611 Q N 0.267 120.063 119.800 -0.006 0.000 2.084 611 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 611 Q C 2.269 178.248 176.000 -0.035 0.000 0.978 611 Q CA 1.401 57.188 55.803 -0.026 0.000 0.844 611 Q CB -0.344 28.379 28.738 -0.025 0.000 0.898 611 Q HN 0.415 nan 8.270 nan 0.000 0.426 612 R N 0.901 121.400 120.500 -0.001 0.000 2.080 612 R HA -0.163 4.177 4.340 -0.000 0.000 0.236 612 R C 2.251 178.509 176.300 -0.069 0.000 1.137 612 R CA 1.968 58.094 56.100 0.044 0.000 0.943 612 R CB -0.266 30.090 30.300 0.094 0.000 0.846 612 R HN 0.333 nan 8.270 nan 0.000 0.431 613 V N -1.849 118.009 119.914 -0.095 0.000 2.809 613 V HA 0.076 4.196 4.120 -0.000 0.000 0.256 613 V C 2.157 178.020 176.094 -0.386 0.000 1.080 613 V CA 1.354 63.514 62.300 -0.234 0.000 1.102 613 V CB -0.647 31.146 31.823 -0.050 0.000 0.705 613 V HN 0.395 nan 8.190 nan 0.000 0.475 614 A N 1.019 123.691 122.820 -0.248 0.000 1.854 614 A HA 0.216 4.536 4.320 -0.000 0.000 0.214 614 A C 2.494 179.882 177.584 -0.325 0.000 1.192 614 A CA 1.895 53.791 52.037 -0.234 0.000 0.611 614 A CB -1.083 17.873 19.000 -0.073 0.000 0.832 614 A HN 0.787 nan 8.150 nan 0.000 0.442 615 A N -0.306 122.355 122.820 -0.264 0.000 1.883 615 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 615 A C 2.432 179.669 177.584 -0.579 0.000 1.186 615 A CA 2.096 53.978 52.037 -0.259 0.000 0.624 615 A CB -1.516 17.435 19.000 -0.081 0.000 0.822 615 A HN 0.790 nan 8.150 nan 0.000 0.444 616 G N -0.968 107.243 108.800 -0.981 0.000 2.442 616 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 616 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 616 G C 1.624 175.718 174.900 -1.342 0.000 1.141 616 G CA 1.277 45.203 45.100 -1.956 0.000 0.763 616 G HN 0.512 nan 8.290 nan 0.000 0.554 617 V N 0.506 119.854 119.914 -0.944 0.000 2.379 617 V HA 0.045 4.165 4.120 -0.000 0.000 0.245 617 V C 2.813 178.609 176.094 -0.496 0.000 1.044 617 V CA 1.372 63.265 62.300 -0.677 0.000 1.036 617 V CB -0.177 31.029 31.823 -1.028 0.000 0.664 617 V HN 0.393 nan 8.190 nan 0.000 0.453 618 L N -0.533 120.423 121.223 -0.445 0.000 2.265 618 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 618 L C 2.645 179.409 176.870 -0.178 0.000 1.117 618 L CA 1.463 56.166 54.840 -0.228 0.000 0.782 618 L CB -0.636 41.335 42.059 -0.147 0.000 0.914 618 L HN 0.563 nan 8.230 nan 0.000 0.441 619 C N -0.166 118.985 119.300 -0.249 0.000 2.500 619 C HA -0.074 4.386 4.460 -0.000 0.000 0.279 619 C C 2.781 177.719 174.990 -0.086 0.000 1.288 619 C CA 0.450 59.391 59.018 -0.128 0.000 1.710 619 C CB -0.384 27.289 27.740 -0.112 0.000 2.052 619 C HN 0.466 nan 8.230 nan 0.000 0.488 620 E N 1.082 121.207 120.200 -0.126 0.000 2.023 620 E HA -0.173 4.176 4.350 -0.000 0.000 0.196 620 E C 2.169 178.732 176.600 -0.062 0.000 1.003 620 E CA 1.412 57.771 56.400 -0.070 0.000 0.809 620 E CB -0.859 28.797 29.700 -0.074 0.000 0.755 620 E HN 0.675 nan 8.360 nan 0.000 0.449 621 L N 0.460 121.635 121.223 -0.080 0.000 2.013 621 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 621 L C 2.482 179.333 176.870 -0.031 0.000 1.073 621 L CA 1.397 56.211 54.840 -0.043 0.000 0.753 621 L CB -0.626 41.419 42.059 -0.023 0.000 0.890 621 L HN 0.087 nan 8.230 nan 0.000 0.432 622 A N 0.179 122.977 122.820 -0.036 0.000 2.125 622 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 622 A C 2.147 179.711 177.584 -0.034 0.000 1.156 622 A CA 1.398 53.417 52.037 -0.030 0.000 0.671 622 A CB -0.601 18.380 19.000 -0.030 0.000 0.794 622 A HN 0.699 nan 8.150 nan 0.000 0.459 623 Q N -0.550 119.233 119.800 -0.029 0.000 2.541 623 Q HA -0.083 4.257 4.340 -0.000 0.000 0.215 623 Q C -0.214 175.767 176.000 -0.032 0.000 0.977 623 Q CA 0.879 56.666 55.803 -0.028 0.000 0.934 623 Q CB -0.265 28.465 28.738 -0.014 0.000 0.988 623 Q HN 0.511 nan 8.270 nan 0.000 0.521 624 D N 0.441 120.823 120.400 -0.030 0.000 2.329 624 D HA 0.196 4.836 4.640 -0.000 0.000 0.232 624 D C 0.844 177.127 176.300 -0.028 0.000 1.088 624 D CA 0.438 54.422 54.000 -0.027 0.000 0.835 624 D CB 1.631 42.419 40.800 -0.020 0.000 1.078 624 D HN 0.159 nan 8.370 nan 0.000 0.495 625 K N 3.857 124.238 120.400 -0.031 0.000 2.001 625 K HA -0.264 4.056 4.320 -0.000 0.000 0.223 625 K C 1.778 178.363 176.600 -0.025 0.000 1.055 625 K CA 2.168 58.435 56.287 -0.033 0.000 0.965 625 K CB -1.085 31.397 32.500 -0.031 0.000 0.730 625 K HN 0.734 nan 8.250 nan 0.000 0.449 626 E N -0.547 119.642 120.200 -0.017 0.000 2.049 626 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 626 E C 2.390 178.985 176.600 -0.008 0.000 1.007 626 E CA 1.218 57.611 56.400 -0.011 0.000 0.809 626 E CB -0.297 29.399 29.700 -0.007 0.000 0.749 626 E HN 0.580 nan 8.360 nan 0.000 0.450 627 A N 0.919 123.735 122.820 -0.006 0.000 1.986 627 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 627 A C 2.297 179.879 177.584 -0.003 0.000 1.171 627 A CA 1.925 53.962 52.037 0.000 0.000 0.640 627 A CB -0.656 18.346 19.000 0.003 0.000 0.811 627 A HN 0.417 nan 8.150 nan 0.000 0.451 628 A N -0.215 122.596 122.820 -0.015 0.000 1.898 628 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 628 A C 1.914 179.488 177.584 -0.016 0.000 1.181 628 A CA 1.476 53.500 52.037 -0.021 0.000 0.620 628 A CB -0.436 18.541 19.000 -0.039 0.000 0.819 628 A HN 0.633 nan 8.150 nan 0.000 0.442 629 E N -0.171 120.021 120.200 -0.015 0.000 2.208 629 E HA -0.030 4.320 4.350 -0.000 0.000 0.193 629 E C 2.246 178.844 176.600 -0.002 0.000 0.988 629 E CA 0.651 57.045 56.400 -0.010 0.000 0.828 629 E CB -0.239 29.454 29.700 -0.011 0.000 0.763 629 E HN 0.619 nan 8.360 nan 0.000 0.478 630 A N 1.584 124.405 122.820 0.001 0.000 1.877 630 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 630 A C 2.188 179.779 177.584 0.012 0.000 1.186 630 A CA 1.103 53.144 52.037 0.006 0.000 0.620 630 A CB -0.557 18.448 19.000 0.009 0.000 0.822 630 A HN 0.115 nan 8.150 nan 0.000 0.443 631 I N -0.806 119.772 120.570 0.014 0.000 2.202 631 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 631 I C 2.653 178.780 176.117 0.017 0.000 1.091 631 I CA 1.442 62.755 61.300 0.021 0.000 1.368 631 I CB -0.313 37.698 38.000 0.018 0.000 1.058 631 I HN 0.329 nan 8.210 nan 0.000 0.410 632 E N 1.684 121.889 120.200 0.008 0.000 2.023 632 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 632 E C 2.195 178.802 176.600 0.013 0.000 1.003 632 E CA 1.861 58.266 56.400 0.008 0.000 0.809 632 E CB -0.261 29.438 29.700 -0.001 0.000 0.755 632 E HN 0.414 nan 8.360 nan 0.000 0.449 633 A N 0.663 123.488 122.820 0.009 0.000 2.234 633 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 633 A C 1.865 179.458 177.584 0.015 0.000 1.167 633 A CA 1.769 53.812 52.037 0.010 0.000 0.698 633 A CB -0.426 18.578 19.000 0.006 0.000 0.779 633 A HN 0.224 nan 8.150 nan 0.000 0.475 634 E N -1.388 118.825 120.200 0.021 0.000 2.472 634 E HA 0.284 4.634 4.350 -0.000 0.000 0.196 634 E C 1.123 177.749 176.600 0.045 0.000 1.033 634 E CA 0.932 57.350 56.400 0.029 0.000 0.886 634 E CB -0.115 29.604 29.700 0.032 0.000 0.944 634 E HN 0.720 nan 8.360 nan 0.000 0.492 635 G N -0.392 108.435 108.800 0.046 0.000 2.179 635 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 635 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 635 G C 1.266 176.214 174.900 0.079 0.000 0.990 635 G CA 0.388 45.527 45.100 0.064 0.000 0.646 635 G HN 0.556 nan 8.290 nan 0.000 0.517 636 A N 0.203 123.059 122.820 0.059 0.000 1.896 636 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 636 A C 2.531 180.124 177.584 0.015 0.000 1.206 636 A CA 3.282 55.341 52.037 0.038 0.000 0.647 636 A CB -1.355 17.657 19.000 0.020 0.000 0.828 636 A HN 1.093 nan 8.150 nan 0.000 0.455 637 T N 0.278 114.842 114.554 0.016 0.000 2.624 637 T HA -0.247 4.103 4.350 -0.000 0.000 0.266 637 T C 2.085 176.788 174.700 0.005 0.000 1.050 637 T CA 2.483 64.587 62.100 0.007 0.000 1.163 637 T CB -0.796 68.080 68.868 0.014 0.000 0.861 637 T HN 0.774 nan 8.240 nan 0.000 0.443 638 A N 2.597 125.436 122.820 0.030 0.000 1.836 638 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 638 A C 0.553 178.130 177.584 -0.011 0.000 1.214 638 A CA 1.892 53.952 52.037 0.039 0.000 0.636 638 A CB -1.792 17.265 19.000 0.095 0.000 0.847 638 A HN 0.450 nan 8.150 nan 0.000 0.451 639 P HA -0.194 nan 4.420 nan 0.000 0.217 639 P C 1.585 178.756 177.300 -0.214 0.000 1.151 639 P CA 1.481 64.413 63.100 -0.280 0.000 0.849 639 P CB -0.257 30.985 31.700 -0.764 0.000 0.787 640 L N -0.844 120.293 121.223 -0.143 0.000 2.083 640 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 640 L C 2.711 179.502 176.870 -0.132 0.000 1.083 640 L CA 1.858 56.626 54.840 -0.120 0.000 0.752 640 L CB -1.554 40.461 42.059 -0.073 0.000 0.899 640 L HN 0.024 nan 8.230 nan 0.000 0.433 641 T N -0.440 114.050 114.554 -0.107 0.000 2.737 641 T HA -0.245 4.105 4.350 -0.000 0.000 0.269 641 T C 2.134 176.695 174.700 -0.232 0.000 1.040 641 T CA 1.867 63.890 62.100 -0.129 0.000 1.142 641 T CB -0.252 68.594 68.868 -0.036 0.000 0.861 641 T HN 0.627 nan 8.240 nan 0.000 0.456 642 E N 1.050 121.174 120.200 -0.126 0.000 2.046 642 E HA 0.098 4.448 4.350 -0.000 0.000 0.190 642 E C 2.108 178.628 176.600 -0.133 0.000 0.982 642 E CA 0.758 57.126 56.400 -0.053 0.000 0.800 642 E CB -0.981 28.716 29.700 -0.005 0.000 0.756 642 E HN 0.542 nan 8.360 nan 0.000 0.449 643 L N 0.036 121.169 121.223 -0.150 0.000 2.261 643 L HA -0.107 4.233 4.340 -0.000 0.000 0.216 643 L C 2.821 179.596 176.870 -0.158 0.000 1.114 643 L CA 0.682 55.447 54.840 -0.125 0.000 0.777 643 L CB -0.284 41.704 42.059 -0.118 0.000 0.910 643 L HN 0.345 nan 8.230 nan 0.000 0.440 644 L N -0.536 120.513 121.223 -0.289 0.000 2.043 644 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 644 L C 2.294 179.006 176.870 -0.264 0.000 1.075 644 L CA 1.225 55.866 54.840 -0.331 0.000 0.752 644 L CB -0.509 41.246 42.059 -0.506 0.000 0.891 644 L HN 0.489 nan 8.230 nan 0.000 0.432 645 H N -1.749 117.310 119.070 -0.018 0.000 2.533 645 H HA 0.120 4.676 4.556 -0.000 0.000 0.271 645 H C 1.246 176.565 175.328 -0.016 0.000 1.000 645 H CA 0.069 56.107 56.048 -0.016 0.000 1.149 645 H CB -0.142 29.612 29.762 -0.012 0.000 1.375 645 H HN 0.166 nan 8.280 nan 0.000 0.582 646 S N 1.059 116.790 115.700 0.052 0.000 2.569 646 S HA -0.019 4.451 4.470 -0.000 0.000 0.274 646 S C 1.545 176.159 174.600 0.023 0.000 1.353 646 S CA -0.460 57.758 58.200 0.030 0.000 1.023 646 S CB 0.933 64.135 63.200 0.002 0.000 0.876 646 S HN 0.281 nan 8.310 nan 0.000 0.540 647 R N 1.806 122.316 120.500 0.017 0.000 2.246 647 R HA 0.116 4.456 4.340 -0.000 0.000 0.199 647 R C 0.374 176.674 176.300 -0.000 0.000 0.984 647 R CA 0.063 56.168 56.100 0.009 0.000 1.015 647 R CB -0.982 29.323 30.300 0.008 0.000 0.930 647 R HN 0.579 nan 8.270 nan 0.000 0.475 648 N N 2.443 121.142 118.700 -0.001 0.000 2.421 648 N HA -0.039 4.701 4.740 -0.000 0.000 0.260 648 N C 1.035 176.534 175.510 -0.018 0.000 1.173 648 N CA 0.614 53.661 53.050 -0.006 0.000 0.960 648 N CB 0.894 39.382 38.487 0.000 0.000 1.273 648 N HN 0.309 nan 8.380 nan 0.000 0.497 649 E N 2.858 123.042 120.200 -0.027 0.000 2.147 649 E HA -0.201 4.149 4.350 -0.000 0.000 0.199 649 E C 1.780 178.335 176.600 -0.075 0.000 1.005 649 E CA 1.747 58.118 56.400 -0.048 0.000 0.810 649 E CB -1.129 28.541 29.700 -0.050 0.000 0.736 649 E HN 0.727 nan 8.360 nan 0.000 0.460 650 G N 0.171 108.933 108.800 -0.063 0.000 2.433 650 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 650 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 650 G C 1.979 176.848 174.900 -0.051 0.000 1.186 650 G CA 1.596 46.645 45.100 -0.086 0.000 0.779 650 G HN 0.540 nan 8.290 nan 0.000 0.543 651 V N 1.506 121.419 119.914 -0.003 0.000 2.407 651 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 651 V C 3.268 179.359 176.094 -0.006 0.000 1.055 651 V CA 1.980 64.291 62.300 0.019 0.000 1.049 651 V CB -0.827 30.998 31.823 0.003 0.000 0.662 651 V HN 0.477 nan 8.190 nan 0.000 0.455 652 A N -0.279 122.521 122.820 -0.035 0.000 1.929 652 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 652 A C 2.393 179.940 177.584 -0.063 0.000 1.176 652 A CA 2.136 54.144 52.037 -0.049 0.000 0.628 652 A CB -0.837 18.137 19.000 -0.043 0.000 0.816 652 A HN 0.482 nan 8.150 nan 0.000 0.444 653 T N -1.039 113.451 114.554 -0.107 0.000 2.674 653 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 653 T C 1.718 176.345 174.700 -0.122 0.000 1.039 653 T CA 1.800 63.801 62.100 -0.165 0.000 1.150 653 T CB -0.435 68.263 68.868 -0.284 0.000 0.864 653 T HN 0.500 nan 8.240 nan 0.000 0.427 654 Y N 1.314 121.585 120.300 -0.049 0.000 2.373 654 Y HA 0.211 4.761 4.550 -0.000 0.000 0.293 654 Y C 2.534 178.393 175.900 -0.068 0.000 1.129 654 Y CA -0.295 57.767 58.100 -0.063 0.000 1.226 654 Y CB -1.052 37.347 38.460 -0.101 0.000 1.000 654 Y HN 0.199 nan 8.280 nan 0.000 0.549 655 A N 0.173 123.037 122.820 0.073 0.000 1.845 655 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 655 A C 2.525 180.112 177.584 0.006 0.000 1.195 655 A CA 2.017 54.056 52.037 0.002 0.000 0.616 655 A CB -1.294 17.675 19.000 -0.053 0.000 0.832 655 A HN 0.346 nan 8.150 nan 0.000 0.443 656 A N -0.361 122.455 122.820 -0.006 0.000 1.978 656 A HA 0.105 4.425 4.320 -0.000 0.000 0.220 656 A C 2.431 180.054 177.584 0.066 0.000 1.170 656 A CA 2.254 54.292 52.037 0.002 0.000 0.636 656 A CB -0.903 18.076 19.000 -0.035 0.000 0.810 656 A HN 1.061 nan 8.150 nan 0.000 0.448 657 A N -0.563 122.314 122.820 0.095 0.000 1.854 657 A HA 0.053 4.373 4.320 -0.000 0.000 0.214 657 A C 2.216 179.899 177.584 0.165 0.000 1.192 657 A CA 1.618 53.755 52.037 0.167 0.000 0.611 657 A CB -1.001 18.116 19.000 0.195 0.000 0.832 657 A HN 0.396 nan 8.150 nan 0.000 0.442 658 V N 0.386 120.356 119.914 0.093 0.000 2.252 658 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 658 V C 2.599 178.722 176.094 0.048 0.000 1.056 658 V CA 2.194 64.519 62.300 0.042 0.000 1.022 658 V CB -1.023 30.799 31.823 -0.001 0.000 0.641 658 V HN 0.569 nan 8.190 nan 0.000 0.445 659 L N -1.222 120.035 121.223 0.057 0.000 2.013 659 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 659 L C 2.395 179.324 176.870 0.099 0.000 1.073 659 L CA 2.125 56.999 54.840 0.057 0.000 0.753 659 L CB -0.717 41.373 42.059 0.050 0.000 0.890 659 L HN 0.369 nan 8.230 nan 0.000 0.432 660 F N 1.056 121.000 119.950 -0.009 0.000 2.046 660 F HA -0.226 4.301 4.527 -0.000 0.000 0.297 660 F C 2.775 178.573 175.800 -0.004 0.000 1.123 660 F CA 1.632 59.629 58.000 -0.006 0.000 1.199 660 F CB -0.358 38.640 39.000 -0.003 0.000 0.972 660 F HN -0.068 nan 8.300 nan 0.000 0.474 661 R N -0.061 120.342 120.500 -0.162 0.000 2.148 661 R HA -0.095 4.245 4.340 -0.000 0.000 0.227 661 R C 1.487 177.679 176.300 -0.180 0.000 1.103 661 R CA 0.702 56.647 56.100 -0.257 0.000 0.983 661 R CB -0.866 29.384 30.300 -0.084 0.000 0.874 661 R HN 0.370 nan 8.270 nan 0.000 0.451 662 M N 0.000 119.542 119.600 -0.096 0.000 2.572 662 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 662 M CA 0.000 55.261 55.300 -0.065 0.000 0.988 662 M CB 0.000 32.584 32.600 -0.026 0.000 1.302 662 M HN 0.000 nan 8.290 nan 0.000 0.411