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 3nr9_1_C DATA FIRST_RESID 137 DATA SEQUENCE SRRAKSVEDD AEGHLIYHVG DWLQERYEIV STLGEGTFGR VVQCVDHRRG DATA SEQUENCE GARVALKIIK NVEKYKEAAR LEINVLEKIN EKDPDNKNLC VQMFDWFDYH DATA SEQUENCE GHMCISFELL GLSTFDFLKD NNYLPYPIHQ VRHMAFQLCQ AVKFLHDNKL DATA SEQUENCE THTDLKPENI LFVNSDYELT YNLEKKRDER SVKSTAVRVV DFGSATFDHE DATA SEQUENCE HHSTIVSTRH YRAPEVILEL GWSQPCDVWS IGCIIFEYYV GFTLFQTHDN DATA SEQUENCE REHLAMMERI LGPIPSRMIR KTRKQKYFYR GRLDWDENTS AGRYVRENCK DATA SEQUENCE PLRRYLTSEA EEHHQLFDLI ESMLEYEPAK RLTLGEALQH PFFARLR 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 137 S HA 0.000 nan 4.470 nan 0.000 0.327 137 S C 0.000 174.601 174.600 0.001 0.000 1.055 137 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 137 S CB 0.000 63.201 63.200 0.002 0.000 0.593 138 R N 1.191 121.693 120.500 0.003 0.000 2.905 138 R HA 0.178 4.518 4.340 0.001 0.000 0.273 138 R C 0.482 176.790 176.300 0.013 0.000 1.033 138 R CA -0.046 56.060 56.100 0.010 0.000 1.182 138 R CB 0.323 30.633 30.300 0.016 0.000 1.097 138 R HN 0.547 nan 8.270 nan 0.000 0.504 139 R N 0.636 121.143 120.500 0.013 0.000 2.255 139 R HA 0.273 4.614 4.340 0.001 0.000 0.326 139 R C -0.849 175.460 176.300 0.015 0.000 0.986 139 R CA -0.352 55.757 56.100 0.013 0.000 0.847 139 R CB 1.304 31.611 30.300 0.011 0.000 1.111 139 R HN 0.716 nan 8.270 nan 0.000 0.452 140 A N 3.717 126.547 122.820 0.017 0.000 2.580 140 A HA 0.128 4.448 4.320 0.001 0.000 0.244 140 A C 1.246 178.838 177.584 0.013 0.000 1.045 140 A CA 0.919 52.966 52.037 0.017 0.000 0.761 140 A CB 0.144 19.154 19.000 0.018 0.000 0.962 140 A HN 1.077 nan 8.150 nan 0.000 0.512 141 K N 1.995 122.403 120.400 0.013 0.000 2.007 141 K HA 0.205 4.526 4.320 0.001 0.000 0.206 141 K C 1.404 178.009 176.600 0.008 0.000 1.047 141 K CA 2.047 58.340 56.287 0.010 0.000 0.937 141 K CB -0.482 32.024 32.500 0.009 0.000 0.718 141 K HN 1.483 nan 8.250 nan 0.000 0.438 142 S N -2.759 112.947 115.700 0.010 0.000 2.880 142 S HA 0.393 4.864 4.470 0.001 0.000 0.308 142 S C 1.311 175.917 174.600 0.011 0.000 1.195 142 S CA 0.150 58.355 58.200 0.009 0.000 0.866 142 S CB 1.061 64.265 63.200 0.007 0.000 1.254 142 S HN 0.239 nan 8.310 nan 0.000 0.571 143 V N 1.614 121.534 119.914 0.010 0.000 2.231 143 V HA -0.084 4.037 4.120 0.001 0.000 0.248 143 V C 0.967 177.069 176.094 0.013 0.000 1.054 143 V CA 1.893 64.199 62.300 0.011 0.000 1.015 143 V CB -1.055 30.773 31.823 0.008 0.000 0.638 143 V HN 0.709 nan 8.190 nan 0.000 0.444 144 E N 1.496 121.704 120.200 0.013 0.000 2.338 144 E HA 0.327 4.678 4.350 0.001 0.000 0.272 144 E C -0.711 175.901 176.600 0.020 0.000 1.029 144 E CA -0.050 56.361 56.400 0.017 0.000 0.872 144 E CB 0.700 30.409 29.700 0.015 0.000 1.015 144 E HN 0.646 nan 8.360 nan 0.000 0.417 145 D N 1.327 121.742 120.400 0.026 0.000 2.661 145 D HA 0.046 4.686 4.640 0.001 0.000 0.228 145 D C -0.267 176.048 176.300 0.025 0.000 1.210 145 D CA -0.683 53.332 54.000 0.024 0.000 0.826 145 D CB 1.011 41.824 40.800 0.021 0.000 1.542 145 D HN 0.219 nan 8.370 nan 0.000 0.447 146 D N 0.835 121.247 120.400 0.021 0.000 2.363 146 D HA 0.031 4.671 4.640 0.001 0.000 0.220 146 D C 1.386 177.663 176.300 -0.038 0.000 0.994 146 D CA 0.536 54.538 54.000 0.004 0.000 0.890 146 D CB -0.023 40.783 40.800 0.011 0.000 0.906 146 D HN 0.485 nan 8.370 nan 0.000 0.530 147 A N 0.551 123.372 122.820 0.003 0.000 2.275 147 A HA 0.031 4.351 4.320 0.001 0.000 0.212 147 A C 0.982 178.567 177.584 0.002 0.000 1.201 147 A CA -0.163 51.910 52.037 0.061 0.000 0.843 147 A CB -0.107 18.942 19.000 0.082 0.000 0.873 147 A HN 0.131 nan 8.150 nan 0.000 0.492 148 E N -1.344 118.821 120.200 -0.060 0.000 2.319 148 E HA 0.434 4.784 4.350 0.001 0.000 0.268 148 E C 1.133 177.678 176.600 -0.091 0.000 1.050 148 E CA 0.388 56.772 56.400 -0.028 0.000 0.878 148 E CB 0.515 30.221 29.700 0.011 0.000 1.066 148 E HN 0.511 nan 8.360 nan 0.000 0.406 149 G N 2.536 111.343 108.800 0.011 0.000 2.225 149 G HA2 -0.242 3.718 3.960 0.001 0.000 0.254 149 G HA3 -0.242 3.718 3.960 0.001 0.000 0.254 149 G C 0.017 175.031 174.900 0.189 0.000 0.988 149 G CA 0.204 45.336 45.100 0.053 0.000 0.625 149 G HN 0.666 nan 8.290 nan 0.000 0.527 150 H N -0.015 119.148 119.070 0.156 0.000 2.928 150 H HA 0.290 4.846 4.556 0.001 0.000 0.338 150 H C 0.775 176.216 175.328 0.188 0.000 1.047 150 H CA 0.154 56.293 56.048 0.152 0.000 1.435 150 H CB 1.124 30.911 29.762 0.042 0.000 1.428 150 H HN 0.347 nan 8.280 nan 0.000 0.590 151 L N 5.003 126.313 121.223 0.145 0.000 2.418 151 L HA 0.136 4.477 4.340 0.001 0.000 0.274 151 L C -0.183 176.730 176.870 0.071 0.000 1.135 151 L CA 0.105 54.844 54.840 -0.168 0.000 0.870 151 L CB -0.198 41.567 42.059 -0.489 0.000 1.154 151 L HN 0.405 nan 8.230 nan 0.000 0.462 152 I N 7.694 128.298 120.570 0.056 0.000 2.436 152 I HA 0.207 4.378 4.170 0.001 0.000 0.289 152 I C -0.391 175.730 176.117 0.006 0.000 1.083 152 I CA -0.038 61.232 61.300 -0.051 0.000 1.372 152 I CB -0.252 37.739 38.000 -0.015 0.000 1.408 152 I HN 0.682 nan 8.210 nan 0.000 0.516 153 Y N 4.315 124.517 120.300 -0.164 0.000 2.644 153 Y HA 0.661 5.211 4.550 0.001 0.000 0.338 153 Y C -0.974 174.746 175.900 -0.301 0.000 1.119 153 Y CA -1.204 56.833 58.100 -0.106 0.000 1.060 153 Y CB 1.384 39.821 38.460 -0.038 0.000 1.294 153 Y HN 0.332 nan 8.280 nan 0.000 0.472 154 H N 0.001 119.227 119.070 0.260 0.000 2.821 154 H HA 0.461 5.018 4.556 0.001 0.000 0.373 154 H C -0.947 174.555 175.328 0.290 0.000 1.165 154 H CA -0.966 55.179 56.048 0.163 0.000 1.154 154 H CB 2.658 32.467 29.762 0.079 0.000 1.765 154 H HN 0.662 nan 8.280 nan 0.000 0.549 155 V N 1.231 121.349 119.914 0.340 0.000 2.788 155 V HA 0.104 4.225 4.120 0.001 0.000 0.307 155 V C 1.422 177.643 176.094 0.212 0.000 1.069 155 V CA 1.993 64.437 62.300 0.240 0.000 1.173 155 V CB 0.679 32.602 31.823 0.166 0.000 0.925 155 V HN 1.205 nan 8.190 nan 0.000 0.492 156 G N 3.145 112.049 108.800 0.174 0.000 2.232 156 G HA2 -0.180 3.781 3.960 0.001 0.000 0.226 156 G HA3 -0.180 3.781 3.960 0.001 0.000 0.226 156 G C 0.026 175.116 174.900 0.316 0.000 0.996 156 G CA 0.049 45.275 45.100 0.209 0.000 0.626 156 G HN 0.660 nan 8.290 nan 0.000 0.509 157 D N -0.091 120.485 120.400 0.293 0.000 2.382 157 D HA 0.414 5.054 4.640 0.001 0.000 0.240 157 D C -0.155 176.359 176.300 0.356 0.000 1.146 157 D CA 0.546 54.757 54.000 0.351 0.000 0.897 157 D CB 0.536 41.516 40.800 0.300 0.000 1.197 157 D HN 0.239 nan 8.370 nan 0.000 0.432 158 W N 1.114 122.459 121.300 0.076 0.000 2.702 158 W HA 0.436 5.097 4.660 0.001 0.000 0.331 158 W C -0.316 176.221 176.519 0.029 0.000 1.049 158 W CA -0.593 56.788 57.345 0.060 0.000 1.230 158 W CB 0.683 30.174 29.460 0.052 0.000 1.408 158 W HN 0.043 nan 8.180 nan 0.000 0.492 159 L N 2.918 124.256 121.223 0.193 0.000 2.334 159 L HA 0.320 4.660 4.340 0.001 0.000 0.275 159 L C 0.880 177.811 176.870 0.102 0.000 1.036 159 L CA -0.864 53.975 54.840 -0.002 0.000 0.807 159 L CB 1.094 43.057 42.059 -0.160 0.000 1.231 159 L HN 0.527 nan 8.230 nan 0.000 0.438 160 Q N 1.445 121.300 119.800 0.092 0.000 2.461 160 Q HA -0.264 4.076 4.340 0.001 0.000 0.264 160 Q C 0.042 176.062 176.000 0.033 0.000 1.085 160 Q CA 1.086 56.894 55.803 0.010 0.000 1.006 160 Q CB -1.167 27.400 28.738 -0.285 0.000 1.437 160 Q HN 0.855 nan 8.270 nan 0.000 0.514 161 E N -2.113 118.172 120.200 0.141 0.000 2.885 161 E HA -0.348 4.003 4.350 0.001 0.000 0.267 161 E C 0.987 177.744 176.600 0.262 0.000 1.100 161 E CA 1.502 57.994 56.400 0.153 0.000 0.779 161 E CB -0.657 29.052 29.700 0.015 0.000 1.383 161 E HN 0.650 nan 8.360 nan 0.000 0.443 162 R N -0.475 120.132 120.500 0.178 0.000 2.320 162 R HA 0.092 4.433 4.340 0.001 0.000 0.193 162 R C -0.197 176.015 176.300 -0.147 0.000 0.885 162 R CA 0.169 56.237 56.100 -0.053 0.000 1.085 162 R CB 0.709 30.732 30.300 -0.462 0.000 1.253 162 R HN 0.051 nan 8.270 nan 0.000 0.636 163 Y N 1.851 122.167 120.300 0.027 0.000 2.335 163 Y HA 0.326 4.876 4.550 0.001 0.000 0.339 163 Y C -0.587 175.116 175.900 -0.328 0.000 0.987 163 Y CA -0.838 57.189 58.100 -0.122 0.000 1.140 163 Y CB 1.488 39.914 38.460 -0.056 0.000 1.173 163 Y HN 0.062 nan 8.280 nan 0.000 0.486 164 E N 4.157 124.092 120.200 -0.441 0.000 2.134 164 E HA 0.392 4.743 4.350 0.001 0.000 0.278 164 E C -1.036 175.363 176.600 -0.336 0.000 0.959 164 E CA -0.583 55.344 56.400 -0.788 0.000 0.783 164 E CB 0.716 29.799 29.700 -1.029 0.000 1.095 164 E HN 0.649 nan 8.360 nan 0.000 0.399 165 I N 5.867 126.304 120.570 -0.222 0.000 2.347 165 I HA -0.015 4.155 4.170 0.001 0.000 0.294 165 I C 1.069 177.150 176.117 -0.060 0.000 1.090 165 I CA -0.260 60.961 61.300 -0.132 0.000 1.314 165 I CB 0.967 38.879 38.000 -0.147 0.000 1.423 165 I HN 0.561 nan 8.210 nan 0.000 0.503 166 V N 4.440 124.320 119.914 -0.057 0.000 2.407 166 V HA -0.065 4.055 4.120 0.001 0.000 0.245 166 V C 0.890 177.001 176.094 0.028 0.000 1.041 166 V CA 1.440 63.732 62.300 -0.012 0.000 1.040 166 V CB -0.324 31.488 31.823 -0.019 0.000 0.671 166 V HN 0.913 nan 8.190 nan 0.000 0.455 167 S N -2.587 113.129 115.700 0.027 0.000 2.627 167 S HA 0.313 4.783 4.470 0.001 0.000 0.268 167 S C -0.748 173.891 174.600 0.066 0.000 1.130 167 S CA -0.653 57.584 58.200 0.062 0.000 0.819 167 S CB 1.585 64.814 63.200 0.049 0.000 1.100 167 S HN 0.059 nan 8.310 nan 0.000 0.465 168 T N 1.744 116.358 114.554 0.099 0.000 2.909 168 T HA 0.558 4.908 4.350 0.001 0.000 0.289 168 T C 0.728 175.468 174.700 0.065 0.000 1.005 168 T CA -0.587 61.575 62.100 0.103 0.000 1.084 168 T CB 0.733 69.676 68.868 0.125 0.000 0.975 168 T HN 0.564 nan 8.240 nan 0.000 0.509 169 L N 1.095 122.355 121.223 0.062 0.000 2.749 169 L HA 0.468 4.808 4.340 0.001 0.000 0.242 169 L C 1.087 177.994 176.870 0.062 0.000 1.103 169 L CA -0.149 54.726 54.840 0.059 0.000 0.906 169 L CB 0.533 42.627 42.059 0.058 0.000 1.228 169 L HN 0.887 nan 8.230 nan 0.000 0.517 170 G N 0.126 108.960 108.800 0.056 0.000 2.339 170 G HA2 0.119 4.079 3.960 0.001 0.000 0.302 170 G HA3 0.119 4.079 3.960 0.001 0.000 0.302 170 G C -1.981 172.916 174.900 -0.005 0.000 1.425 170 G CA -0.635 44.486 45.100 0.035 0.000 0.899 170 G HN -0.131 nan 8.290 nan 0.000 0.619 171 E N -0.336 119.826 120.200 -0.063 0.000 2.224 171 E HA 0.639 4.989 4.350 0.001 0.000 0.265 171 E C 0.173 176.629 176.600 -0.241 0.000 0.878 171 E CA -0.529 55.777 56.400 -0.157 0.000 0.759 171 E CB 1.670 31.290 29.700 -0.134 0.000 1.164 171 E HN 0.946 nan 8.360 nan 0.000 0.414 172 G N 0.806 109.271 108.800 -0.558 0.000 3.013 172 G HA2 0.240 4.200 3.960 0.001 0.000 0.278 172 G HA3 0.240 4.200 3.960 0.001 0.000 0.278 172 G C 0.907 175.454 174.900 -0.589 0.000 1.353 172 G CA 0.142 44.880 45.100 -0.602 0.000 1.043 172 G HN 0.571 nan 8.290 nan 0.000 0.523 173 T N -1.337 112.998 114.554 -0.365 0.000 2.653 173 T HA -0.279 4.071 4.350 0.001 0.000 0.268 173 T C 2.145 176.476 174.700 -0.614 0.000 1.035 173 T CA 2.537 64.480 62.100 -0.261 0.000 1.154 173 T CB -0.789 68.124 68.868 0.075 0.000 0.862 173 T HN 0.755 nan 8.240 nan 0.000 0.441 174 F N 1.995 121.789 119.950 -0.261 0.000 2.250 174 F HA 0.405 4.933 4.527 0.001 0.000 0.301 174 F C 1.318 176.921 175.800 -0.328 0.000 1.077 174 F CA 0.160 57.955 58.000 -0.342 0.000 1.348 174 F CB -0.841 38.140 39.000 -0.031 0.000 1.040 174 F HN 0.681 nan 8.300 nan 0.000 0.509 175 G N -0.036 108.606 108.800 -0.264 0.000 2.403 175 G HA2 0.329 4.290 3.960 0.001 0.000 0.223 175 G HA3 0.329 4.290 3.960 0.001 0.000 0.223 175 G C -1.394 173.549 174.900 0.072 0.000 1.287 175 G CA -1.035 44.178 45.100 0.189 0.000 0.982 175 G HN 0.252 nan 8.290 nan 0.000 0.471 176 R N -1.268 119.374 120.500 0.237 0.000 2.837 176 R HA 0.704 5.045 4.340 0.001 0.000 0.271 176 R C -1.373 175.092 176.300 0.275 0.000 0.993 176 R CA -0.791 55.391 56.100 0.136 0.000 0.931 176 R CB 2.577 32.911 30.300 0.057 0.000 1.206 176 R HN 0.364 nan 8.270 nan 0.000 0.474 177 V N 2.809 122.849 119.914 0.210 0.000 2.384 177 V HA 0.343 4.464 4.120 0.001 0.000 0.287 177 V C -0.141 175.994 176.094 0.067 0.000 1.020 177 V CA -0.627 61.769 62.300 0.160 0.000 0.850 177 V CB 1.670 33.605 31.823 0.185 0.000 0.987 177 V HN 0.569 nan 8.190 nan 0.000 0.436 178 V N 2.895 122.803 119.914 -0.010 0.000 2.919 178 V HA 0.704 4.825 4.120 0.001 0.000 0.316 178 V C -0.477 175.583 176.094 -0.056 0.000 1.077 178 V CA -0.840 61.420 62.300 -0.067 0.000 0.977 178 V CB 1.766 33.438 31.823 -0.251 0.000 1.039 178 V HN 0.900 nan 8.190 nan 0.000 0.441 179 Q N 1.330 121.106 119.800 -0.039 0.000 2.257 179 Q HA 0.640 4.981 4.340 0.001 0.000 0.255 179 Q C -1.316 174.653 176.000 -0.052 0.000 0.920 179 Q CA -0.379 55.409 55.803 -0.025 0.000 0.927 179 Q CB 1.576 30.316 28.738 0.002 0.000 1.229 179 Q HN 1.002 nan 8.270 nan 0.000 0.433 180 C N 2.552 121.826 119.300 -0.044 0.000 2.898 180 C HA 0.585 5.045 4.460 0.001 0.000 0.304 180 C C -0.602 174.354 174.990 -0.056 0.000 1.237 180 C CA -0.888 58.094 59.018 -0.060 0.000 1.529 180 C CB 1.734 29.454 27.740 -0.033 0.000 2.021 180 C HN 0.702 nan 8.230 nan 0.000 0.474 181 V N 1.912 121.736 119.914 -0.151 0.000 2.509 181 V HA 0.339 4.460 4.120 0.001 0.000 0.284 181 V C -0.230 175.683 176.094 -0.301 0.000 1.047 181 V CA 0.231 62.372 62.300 -0.265 0.000 0.952 181 V CB 1.468 33.028 31.823 -0.437 0.000 0.988 181 V HN 0.878 nan 8.190 nan 0.000 0.469 182 D N 2.259 122.515 120.400 -0.241 0.000 2.472 182 D HA 0.240 4.880 4.640 0.001 0.000 0.234 182 D C 0.870 177.012 176.300 -0.264 0.000 1.088 182 D CA -0.333 53.566 54.000 -0.169 0.000 0.882 182 D CB 0.524 41.360 40.800 0.060 0.000 1.037 182 D HN 0.631 nan 8.370 nan 0.000 0.520 183 H N 2.352 121.336 119.070 -0.143 0.000 2.547 183 H HA 0.028 4.585 4.556 0.001 0.000 0.272 183 H C 1.498 176.777 175.328 -0.082 0.000 0.989 183 H CA 0.583 56.588 56.048 -0.071 0.000 1.214 183 H CB 0.380 30.150 29.762 0.014 0.000 1.389 183 H HN 0.402 nan 8.280 nan 0.000 0.577 184 R N 1.540 122.010 120.500 -0.050 0.000 2.423 184 R HA 0.183 4.524 4.340 0.001 0.000 0.248 184 R C 1.119 177.360 176.300 -0.097 0.000 1.019 184 R CA -0.002 56.049 56.100 -0.083 0.000 1.119 184 R CB -0.677 29.539 30.300 -0.140 0.000 1.176 184 R HN 0.258 nan 8.270 nan 0.000 0.526 185 R N -1.262 119.183 120.500 -0.091 0.000 2.433 185 R HA 0.182 4.523 4.340 0.001 0.000 0.274 185 R C 0.445 176.690 176.300 -0.092 0.000 1.189 185 R CA 0.505 56.539 56.100 -0.110 0.000 1.307 185 R CB 0.010 30.225 30.300 -0.142 0.000 1.385 185 R HN 0.579 nan 8.270 nan 0.000 0.752 186 G N -0.333 108.431 108.800 -0.061 0.000 2.175 186 G HA2 -0.339 3.622 3.960 0.001 0.000 0.265 186 G HA3 -0.339 3.622 3.960 0.001 0.000 0.265 186 G C 0.765 175.632 174.900 -0.054 0.000 0.979 186 G CA 0.564 45.638 45.100 -0.044 0.000 0.663 186 G HN 1.085 nan 8.290 nan 0.000 0.533 187 G N -1.288 107.446 108.800 -0.110 0.000 2.176 187 G HA2 0.222 4.182 3.960 0.001 0.000 0.232 187 G HA3 0.222 4.182 3.960 0.001 0.000 0.232 187 G C 1.015 175.829 174.900 -0.143 0.000 0.986 187 G CA 1.034 46.023 45.100 -0.184 0.000 0.643 187 G HN 2.341 nan 8.290 nan 0.000 0.522 188 A N 0.468 123.237 122.820 -0.085 0.000 2.616 188 A HA 0.368 4.688 4.320 0.001 0.000 0.234 188 A C 0.927 178.504 177.584 -0.012 0.000 1.024 188 A CA 0.980 53.002 52.037 -0.026 0.000 0.758 188 A CB 0.052 19.050 19.000 -0.004 0.000 0.939 188 A HN 0.642 nan 8.150 nan 0.000 0.510 189 R N 0.570 121.083 120.500 0.022 0.000 2.389 189 R HA 0.428 4.768 4.340 0.001 0.000 0.295 189 R C -0.011 176.348 176.300 0.099 0.000 1.075 189 R CA 0.082 56.201 56.100 0.032 0.000 1.005 189 R CB 0.806 31.122 30.300 0.028 0.000 0.987 189 R HN 0.778 nan 8.270 nan 0.000 0.452 190 V N -1.077 118.895 119.914 0.097 0.000 3.130 190 V HA 0.864 4.984 4.120 0.001 0.000 0.310 190 V C -0.816 175.316 176.094 0.062 0.000 1.158 190 V CA -1.192 61.188 62.300 0.134 0.000 1.029 190 V CB 2.090 34.053 31.823 0.233 0.000 1.057 190 V HN 0.790 nan 8.190 nan 0.000 0.436 191 A N 2.708 125.568 122.820 0.067 0.000 2.292 191 A HA 0.857 5.178 4.320 0.001 0.000 0.319 191 A C -0.927 176.677 177.584 0.034 0.000 1.206 191 A CA -0.496 51.581 52.037 0.066 0.000 0.835 191 A CB 0.917 19.984 19.000 0.112 0.000 1.164 191 A HN 1.218 nan 8.150 nan 0.000 0.505 192 L N 2.026 123.224 121.223 -0.042 0.000 2.313 192 L HA 0.484 4.824 4.340 0.001 0.000 0.283 192 L C 0.082 176.926 176.870 -0.045 0.000 1.013 192 L CA -0.132 54.626 54.840 -0.137 0.000 0.816 192 L CB 1.570 43.472 42.059 -0.261 0.000 1.236 192 L HN 0.687 nan 8.230 nan 0.000 0.419 193 K N 6.055 126.437 120.400 -0.030 0.000 2.347 193 K HA 0.469 4.789 4.320 0.001 0.000 0.262 193 K C -1.081 175.522 176.600 0.005 0.000 1.052 193 K CA -0.359 55.960 56.287 0.054 0.000 0.946 193 K CB 0.372 32.936 32.500 0.106 0.000 1.220 193 K HN 0.596 nan 8.250 nan 0.000 0.450 194 I N 6.352 126.964 120.570 0.071 0.000 2.291 194 I HA 0.153 4.324 4.170 0.001 0.000 0.292 194 I C 0.146 176.398 176.117 0.225 0.000 1.064 194 I CA -0.743 60.605 61.300 0.080 0.000 1.269 194 I CB 0.531 38.551 38.000 0.034 0.000 1.418 194 I HN 0.394 nan 8.210 nan 0.000 0.485 195 I N 6.166 126.860 120.570 0.208 0.000 2.638 195 I HA 0.149 4.320 4.170 0.001 0.000 0.286 195 I C 0.897 177.186 176.117 0.287 0.000 1.088 195 I CA -0.467 60.979 61.300 0.243 0.000 1.397 195 I CB 0.273 38.363 38.000 0.150 0.000 1.414 195 I HN 0.512 nan 8.210 nan 0.000 0.566 196 K N 3.198 123.699 120.400 0.169 0.000 2.440 196 K HA -0.088 4.232 4.320 0.001 0.000 0.270 196 K C 0.670 177.307 176.600 0.061 0.000 0.980 196 K CA 0.038 56.389 56.287 0.107 0.000 0.953 196 K CB 0.279 32.694 32.500 -0.143 0.000 0.925 196 K HN 0.355 nan 8.250 nan 0.000 0.497 197 N N 2.262 120.904 118.700 -0.097 0.000 3.091 197 N HA 0.067 4.807 4.740 0.001 0.000 0.301 197 N C -1.578 173.902 175.510 -0.050 0.000 1.325 197 N CA -0.068 52.824 53.050 -0.263 0.000 1.143 197 N CB -0.147 38.028 38.487 -0.520 0.000 1.450 197 N HN 0.200 nan 8.380 nan 0.000 0.542 198 V N 0.399 120.349 119.914 0.059 0.000 2.876 198 V HA 0.243 4.363 4.120 0.001 0.000 0.312 198 V C 1.198 177.340 176.094 0.079 0.000 1.085 198 V CA -0.823 61.537 62.300 0.100 0.000 0.945 198 V CB 2.174 34.130 31.823 0.220 0.000 1.017 198 V HN 0.125 nan 8.190 nan 0.000 0.428 199 E N 2.747 122.962 120.200 0.025 0.000 2.021 199 E HA -0.259 4.091 4.350 0.001 0.000 0.200 199 E C 2.381 178.966 176.600 -0.026 0.000 1.015 199 E CA 2.166 58.565 56.400 -0.001 0.000 0.824 199 E CB -0.223 29.468 29.700 -0.016 0.000 0.762 199 E HN 0.806 nan 8.360 nan 0.000 0.454 200 K N 0.654 120.990 120.400 -0.107 0.000 2.034 200 K HA -0.226 4.094 4.320 0.001 0.000 0.214 200 K C 2.264 178.773 176.600 -0.152 0.000 1.051 200 K CA 2.183 58.342 56.287 -0.214 0.000 0.931 200 K CB -1.542 30.686 32.500 -0.453 0.000 0.715 200 K HN 0.216 nan 8.250 nan 0.000 0.446 201 Y N 0.407 120.719 120.300 0.020 0.000 2.314 201 Y HA 0.054 4.604 4.550 0.001 0.000 0.293 201 Y C 2.547 178.465 175.900 0.029 0.000 1.129 201 Y CA 1.411 59.535 58.100 0.041 0.000 1.201 201 Y CB -0.080 38.414 38.460 0.057 0.000 0.999 201 Y HN 0.314 nan 8.280 nan 0.000 0.541 202 K N 0.170 120.665 120.400 0.159 0.000 2.097 202 K HA -0.172 4.148 4.320 0.001 0.000 0.205 202 K C 2.022 178.645 176.600 0.038 0.000 1.050 202 K CA 1.193 57.529 56.287 0.081 0.000 0.938 202 K CB 0.069 32.599 32.500 0.050 0.000 0.718 202 K HN 0.056 nan 8.250 nan 0.000 0.442 203 E N 0.502 120.718 120.200 0.027 0.000 2.077 203 E HA -0.142 4.208 4.350 0.001 0.000 0.193 203 E C 1.789 178.392 176.600 0.004 0.000 0.989 203 E CA 1.300 57.704 56.400 0.006 0.000 0.800 203 E CB -0.208 29.492 29.700 -0.001 0.000 0.746 203 E HN 0.400 nan 8.360 nan 0.000 0.452 204 A N 0.757 123.591 122.820 0.023 0.000 2.015 204 A HA -0.039 4.281 4.320 0.001 0.000 0.219 204 A C 2.317 179.902 177.584 0.003 0.000 1.163 204 A CA 1.758 53.808 52.037 0.022 0.000 0.646 204 A CB -0.376 18.658 19.000 0.056 0.000 0.806 204 A HN 0.261 nan 8.150 nan 0.000 0.448 205 A N -0.020 122.803 122.820 0.004 0.000 1.929 205 A HA -0.098 4.223 4.320 0.001 0.000 0.216 205 A C 2.224 179.739 177.584 -0.115 0.000 1.176 205 A CA 1.198 53.208 52.037 -0.044 0.000 0.628 205 A CB -0.381 18.604 19.000 -0.024 0.000 0.816 205 A HN 0.543 nan 8.150 nan 0.000 0.444 206 R N -0.976 119.458 120.500 -0.110 0.000 2.075 206 R HA -0.061 4.280 4.340 0.001 0.000 0.232 206 R C 1.734 177.952 176.300 -0.137 0.000 1.126 206 R CA 1.228 57.226 56.100 -0.169 0.000 0.963 206 R CB -0.478 29.756 30.300 -0.110 0.000 0.858 206 R HN 0.373 nan 8.270 nan 0.000 0.435 207 L N 0.991 122.175 121.223 -0.066 0.000 2.109 207 L HA -0.098 4.242 4.340 0.001 0.000 0.207 207 L C 2.365 179.214 176.870 -0.036 0.000 1.086 207 L CA 1.583 56.409 54.840 -0.023 0.000 0.760 207 L CB -0.727 41.333 42.059 0.002 0.000 0.910 207 L HN 0.203 nan 8.230 nan 0.000 0.437 208 E N 0.003 120.174 120.200 -0.049 0.000 2.077 208 E HA -0.214 4.136 4.350 0.001 0.000 0.193 208 E C 2.310 178.871 176.600 -0.065 0.000 0.989 208 E CA 1.257 57.642 56.400 -0.025 0.000 0.800 208 E CB -0.055 29.636 29.700 -0.016 0.000 0.746 208 E HN 0.457 nan 8.360 nan 0.000 0.452 209 I N 0.848 121.317 120.570 -0.168 0.000 2.163 209 I HA -0.246 3.924 4.170 0.001 0.000 0.240 209 I C 2.401 178.403 176.117 -0.191 0.000 1.081 209 I CA 1.232 62.360 61.300 -0.286 0.000 1.353 209 I CB -0.452 37.151 38.000 -0.661 0.000 1.054 209 I HN 0.218 nan 8.210 nan 0.000 0.407 210 N N 0.535 119.146 118.700 -0.148 0.000 2.192 210 N HA -0.167 4.574 4.740 0.001 0.000 0.188 210 N C 1.653 177.193 175.510 0.050 0.000 1.013 210 N CA 1.169 54.200 53.050 -0.032 0.000 0.863 210 N CB 0.001 38.496 38.487 0.014 0.000 0.990 210 N HN 0.086 nan 8.380 nan 0.000 0.430 211 V N 0.300 120.222 119.914 0.015 0.000 2.323 211 V HA -0.117 4.004 4.120 0.001 0.000 0.244 211 V C 2.176 178.198 176.094 -0.121 0.000 1.041 211 V CA 1.127 63.407 62.300 -0.032 0.000 1.025 211 V CB -0.432 31.293 31.823 -0.164 0.000 0.656 211 V HN 0.343 nan 8.190 nan 0.000 0.451 212 L N -0.213 120.925 121.223 -0.142 0.000 2.191 212 L HA -0.180 4.160 4.340 0.001 0.000 0.212 212 L C 2.572 179.434 176.870 -0.013 0.000 1.103 212 L CA 1.471 56.240 54.840 -0.118 0.000 0.769 212 L CB -0.564 41.483 42.059 -0.021 0.000 0.908 212 L HN 0.463 nan 8.230 nan 0.000 0.438 213 E N 0.461 120.673 120.200 0.021 0.000 2.028 213 E HA -0.214 4.137 4.350 0.001 0.000 0.191 213 E C 2.515 179.160 176.600 0.075 0.000 0.988 213 E CA 1.474 57.919 56.400 0.075 0.000 0.799 213 E CB -0.165 29.590 29.700 0.092 0.000 0.755 213 E HN 0.487 nan 8.360 nan 0.000 0.447 214 K N 1.340 121.788 120.400 0.079 0.000 2.280 214 K HA -0.099 4.221 4.320 0.001 0.000 0.202 214 K C 1.786 178.450 176.600 0.106 0.000 1.047 214 K CA 1.130 57.476 56.287 0.099 0.000 0.942 214 K CB -0.843 31.752 32.500 0.158 0.000 0.739 214 K HN 0.105 nan 8.250 nan 0.000 0.457 215 I N 1.018 121.636 120.570 0.080 0.000 2.233 215 I HA -0.239 3.931 4.170 0.001 0.000 0.243 215 I C 1.974 178.175 176.117 0.140 0.000 1.093 215 I CA 0.927 62.313 61.300 0.143 0.000 1.380 215 I CB -0.101 37.904 38.000 0.009 0.000 1.067 215 I HN 0.400 nan 8.210 nan 0.000 0.413 216 N N 0.523 119.273 118.700 0.084 0.000 2.244 216 N HA -0.214 4.527 4.740 0.001 0.000 0.183 216 N C 1.711 177.274 175.510 0.088 0.000 1.016 216 N CA 1.026 54.123 53.050 0.079 0.000 0.866 216 N CB -0.203 38.335 38.487 0.085 0.000 0.980 216 N HN 0.435 nan 8.380 nan 0.000 0.430 217 E N 0.765 121.022 120.200 0.095 0.000 2.204 217 E HA -0.106 4.244 4.350 0.001 0.000 0.195 217 E C 0.886 177.546 176.600 0.100 0.000 0.990 217 E CA 0.915 57.367 56.400 0.086 0.000 0.821 217 E CB 0.287 30.032 29.700 0.076 0.000 0.750 217 E HN 0.129 nan 8.360 nan 0.000 0.477 218 K N 0.136 120.627 120.400 0.151 0.000 2.355 218 K HA 0.069 4.389 4.320 0.001 0.000 0.198 218 K C -0.445 176.294 176.600 0.232 0.000 1.039 218 K CA 0.229 56.637 56.287 0.201 0.000 1.075 218 K CB 0.721 33.367 32.500 0.243 0.000 0.870 218 K HN 0.016 nan 8.250 nan 0.000 0.540 219 D N 0.342 120.829 120.400 0.145 0.000 2.337 219 D HA 0.170 4.810 4.640 0.001 0.000 0.238 219 D C -2.268 174.039 176.300 0.012 0.000 1.331 219 D CA -1.389 52.626 54.000 0.024 0.000 0.967 219 D CB 1.556 42.252 40.800 -0.173 0.000 1.382 219 D HN -0.241 nan 8.370 nan 0.000 0.549 220 P HA 0.047 nan 4.420 nan 0.000 0.217 220 P C 0.843 178.156 177.300 0.022 0.000 1.151 220 P CA 1.166 64.285 63.100 0.032 0.000 0.828 220 P CB 0.138 31.859 31.700 0.034 0.000 0.788 221 D N -2.007 118.396 120.400 0.004 0.000 2.325 221 D HA 0.170 4.810 4.640 0.001 0.000 0.234 221 D C 0.901 177.194 176.300 -0.012 0.000 1.122 221 D CA 0.649 54.651 54.000 0.003 0.000 0.850 221 D CB -1.764 39.035 40.800 -0.001 0.000 0.921 221 D HN 0.284 nan 8.370 nan 0.000 0.513 222 N N -2.005 116.677 118.700 -0.029 0.000 2.696 222 N HA -0.196 4.545 4.740 0.001 0.000 0.249 222 N C 1.493 176.948 175.510 -0.092 0.000 1.090 222 N CA 2.277 55.293 53.050 -0.057 0.000 0.716 222 N CB -2.626 35.857 38.487 -0.006 0.000 1.020 222 N HN 1.276 nan 8.380 nan 0.000 0.548 223 K N 0.630 120.961 120.400 -0.116 0.000 2.366 223 K HA 0.010 4.330 4.320 0.001 0.000 0.198 223 K C 1.751 178.229 176.600 -0.203 0.000 1.044 223 K CA 1.481 57.695 56.287 -0.121 0.000 0.973 223 K CB -0.512 31.935 32.500 -0.088 0.000 0.767 223 K HN 1.080 nan 8.250 nan 0.000 0.475 224 N N 0.942 119.434 118.700 -0.346 0.000 2.520 224 N HA -0.107 4.633 4.740 0.001 0.000 0.185 224 N C 0.774 176.072 175.510 -0.353 0.000 1.068 224 N CA 1.111 53.821 53.050 -0.567 0.000 0.911 224 N CB -0.317 37.420 38.487 -1.251 0.000 0.961 224 N HN 0.500 nan 8.380 nan 0.000 0.446 225 L N -1.872 119.219 121.223 -0.220 0.000 4.937 225 L HA -0.222 4.119 4.340 0.001 0.000 0.422 225 L C -0.579 176.236 176.870 -0.093 0.000 1.059 225 L CA 0.106 54.861 54.840 -0.143 0.000 1.111 225 L CB -2.578 39.390 42.059 -0.150 0.000 2.033 225 L HN 0.262 nan 8.230 nan 0.000 0.708 226 C N 0.028 119.283 119.300 -0.076 0.000 2.398 226 C HA 0.544 5.005 4.460 0.001 0.000 0.364 226 C C 1.260 176.263 174.990 0.022 0.000 1.219 226 C CA -0.554 58.499 59.018 0.059 0.000 2.312 226 C CB 1.795 29.613 27.740 0.129 0.000 2.428 226 C HN 0.177 nan 8.230 nan 0.000 0.564 227 V N 2.758 122.712 119.914 0.068 0.000 2.999 227 V HA 0.077 4.198 4.120 0.001 0.000 0.307 227 V C 0.237 176.359 176.094 0.047 0.000 1.084 227 V CA 0.478 62.775 62.300 -0.005 0.000 1.155 227 V CB 1.064 32.806 31.823 -0.135 0.000 0.975 227 V HN 0.903 nan 8.190 nan 0.000 0.490 228 Q N 5.435 125.245 119.800 0.017 0.000 2.303 228 Q HA 0.354 4.694 4.340 0.001 0.000 0.257 228 Q C -0.382 175.640 176.000 0.037 0.000 0.941 228 Q CA -0.456 55.359 55.803 0.019 0.000 0.931 228 Q CB 1.341 30.064 28.738 -0.026 0.000 1.215 228 Q HN 0.857 nan 8.270 nan 0.000 0.437 229 M N 3.944 123.613 119.600 0.116 0.000 2.162 229 M HA 0.145 4.625 4.480 0.001 0.000 0.356 229 M C -0.800 175.548 176.300 0.081 0.000 1.303 229 M CA -0.120 55.168 55.300 -0.020 0.000 1.116 229 M CB 0.479 33.081 32.600 0.003 0.000 1.632 229 M HN 0.672 nan 8.290 nan 0.000 0.469 230 F N 2.571 122.512 119.950 -0.016 0.000 2.179 230 F HA 0.137 4.664 4.527 0.001 0.000 0.292 230 F C 0.784 176.605 175.800 0.035 0.000 1.089 230 F CA 0.506 58.523 58.000 0.028 0.000 1.295 230 F CB -0.327 38.702 39.000 0.049 0.000 1.041 230 F HN 0.718 nan 8.300 nan 0.000 0.487 231 D N -3.465 117.065 120.400 0.216 0.000 2.992 231 D HA 0.261 4.902 4.640 0.001 0.000 0.349 231 D C -1.238 175.168 176.300 0.177 0.000 1.393 231 D CA -0.940 53.145 54.000 0.142 0.000 0.887 231 D CB 0.840 41.672 40.800 0.053 0.000 1.447 231 D HN 0.014 nan 8.370 nan 0.000 0.524 232 W N -0.674 120.677 121.300 0.084 0.000 3.042 232 W HA 0.766 5.427 4.660 0.001 0.000 0.342 232 W C -1.933 174.714 176.519 0.213 0.000 1.240 232 W CA -1.455 55.886 57.345 -0.005 0.000 1.166 232 W CB 0.646 30.049 29.460 -0.095 0.000 1.469 232 W HN 0.602 nan 8.180 nan 0.000 0.579 233 F N -0.794 119.372 119.950 0.360 0.000 2.719 233 F HA 0.388 4.915 4.527 0.001 0.000 0.309 233 F C -1.453 174.546 175.800 0.331 0.000 1.138 233 F CA -1.172 56.982 58.000 0.257 0.000 0.943 233 F CB 1.223 40.292 39.000 0.116 0.000 1.304 233 F HN 0.209 nan 8.300 nan 0.000 0.445 234 D N 1.636 122.303 120.400 0.445 0.000 2.359 234 D HA 0.133 4.773 4.640 0.001 0.000 0.230 234 D C -1.679 174.849 176.300 0.379 0.000 1.118 234 D CA 0.002 54.190 54.000 0.313 0.000 0.844 234 D CB 0.987 41.931 40.800 0.240 0.000 1.059 234 D HN 0.716 nan 8.370 nan 0.000 0.493 235 Y N 4.239 124.704 120.300 0.276 0.000 2.841 235 Y HA 0.159 4.709 4.550 0.001 0.000 0.329 235 Y C -0.143 175.919 175.900 0.270 0.000 1.062 235 Y CA -0.379 57.879 58.100 0.263 0.000 1.281 235 Y CB -0.352 38.383 38.460 0.459 0.000 1.147 235 Y HN 0.608 nan 8.280 nan 0.000 0.521 236 H N 3.130 122.192 119.070 -0.014 0.000 2.692 236 H HA -0.222 4.335 4.556 0.001 0.000 0.316 236 H C 1.325 176.713 175.328 0.100 0.000 1.176 236 H CA 1.125 57.164 56.048 -0.015 0.000 1.142 236 H CB -1.138 28.532 29.762 -0.152 0.000 1.475 236 H HN 1.035 nan 8.280 nan 0.000 0.423 237 G N -1.197 107.696 108.800 0.155 0.000 2.345 237 G HA2 -0.298 3.662 3.960 0.001 0.000 0.218 237 G HA3 -0.298 3.662 3.960 0.001 0.000 0.218 237 G C -0.085 174.809 174.900 -0.011 0.000 1.058 237 G CA 0.083 45.202 45.100 0.031 0.000 0.632 237 G HN 0.657 nan 8.290 nan 0.000 0.508 238 H N 1.942 121.123 119.070 0.185 0.000 2.819 238 H HA 0.600 5.157 4.556 0.001 0.000 0.303 238 H C 1.010 176.414 175.328 0.126 0.000 1.058 238 H CA -0.099 56.052 56.048 0.172 0.000 1.471 238 H CB 0.568 30.470 29.762 0.232 0.000 1.480 238 H HN 0.181 nan 8.280 nan 0.000 0.517 239 M N 2.876 122.563 119.600 0.146 0.000 2.200 239 M HA 0.134 4.615 4.480 0.001 0.000 0.355 239 M C -0.355 175.901 176.300 -0.072 0.000 1.283 239 M CA -0.077 55.246 55.300 0.038 0.000 1.124 239 M CB 0.590 33.193 32.600 0.005 0.000 1.625 239 M HN 0.616 nan 8.290 nan 0.000 0.463 240 C N 5.249 124.346 119.300 -0.339 0.000 2.382 240 C HA 0.737 5.198 4.460 0.001 0.000 0.327 240 C C 0.254 174.946 174.990 -0.496 0.000 1.250 240 C CA -0.785 57.903 59.018 -0.550 0.000 1.707 240 C CB 0.644 27.695 27.740 -1.148 0.000 2.272 240 C HN 0.763 nan 8.230 nan 0.000 0.506 241 I N 2.102 122.453 120.570 -0.365 0.000 2.498 241 I HA 0.361 4.532 4.170 0.001 0.000 0.290 241 I C -0.030 175.751 176.117 -0.561 0.000 1.032 241 I CA 0.061 61.116 61.300 -0.408 0.000 1.073 241 I CB 1.803 39.548 38.000 -0.425 0.000 1.251 241 I HN 0.555 nan 8.210 nan 0.000 0.426 242 S N 5.659 121.040 115.700 -0.530 0.000 2.442 242 S HA 0.719 5.189 4.470 0.001 0.000 0.297 242 S C -0.998 173.265 174.600 -0.561 0.000 1.131 242 S CA -0.284 57.684 58.200 -0.387 0.000 1.092 242 S CB 0.237 63.392 63.200 -0.075 0.000 0.998 242 S HN 0.321 nan 8.310 nan 0.000 0.478 243 F N 2.160 122.019 119.950 -0.151 0.000 2.577 243 F HA 0.368 4.895 4.527 0.001 0.000 0.318 243 F C 0.328 175.837 175.800 -0.485 0.000 1.065 243 F CA -1.247 56.550 58.000 -0.338 0.000 0.929 243 F CB 1.207 40.082 39.000 -0.208 0.000 1.237 243 F HN 0.617 nan 8.300 nan 0.000 0.468 244 E N 1.392 121.196 120.200 -0.661 0.000 2.568 244 E HA 0.088 4.438 4.350 0.001 0.000 0.262 244 E C -0.761 175.799 176.600 -0.067 0.000 0.961 244 E CA -0.438 55.724 56.400 -0.395 0.000 0.945 244 E CB 0.601 30.116 29.700 -0.309 0.000 0.924 244 E HN 0.460 nan 8.360 nan 0.000 0.467 245 L N 4.511 125.753 121.223 0.031 0.000 2.361 245 L HA 0.184 4.525 4.340 0.001 0.000 0.278 245 L C -0.702 176.187 176.870 0.031 0.000 1.113 245 L CA 0.428 55.293 54.840 0.042 0.000 0.849 245 L CB 0.115 42.211 42.059 0.062 0.000 1.155 245 L HN 0.657 nan 8.230 nan 0.000 0.452 246 L N 3.687 124.921 121.223 0.019 0.000 2.849 246 L HA 0.780 5.120 4.340 0.001 0.000 0.230 246 L C 0.902 177.807 176.870 0.059 0.000 1.589 246 L CA -0.438 54.419 54.840 0.028 0.000 1.664 246 L CB 0.326 42.382 42.059 -0.005 0.000 2.392 246 L HN 0.677 nan 8.230 nan 0.000 0.586 247 G N -0.858 107.996 108.800 0.091 0.000 3.107 247 G HA2 0.557 4.518 3.960 0.001 0.000 0.232 247 G HA3 0.557 4.518 3.960 0.001 0.000 0.232 247 G C -0.828 174.167 174.900 0.158 0.000 1.339 247 G CA -0.894 44.288 45.100 0.137 0.000 1.033 247 G HN 0.236 nan 8.290 nan 0.000 0.567 248 L N 1.025 122.386 121.223 0.230 0.000 2.467 248 L HA 0.238 4.579 4.340 0.001 0.000 0.270 248 L C 1.482 178.483 176.870 0.219 0.000 1.205 248 L CA -0.360 54.619 54.840 0.232 0.000 0.828 248 L CB 0.999 43.238 42.059 0.300 0.000 1.101 248 L HN 0.663 nan 8.230 nan 0.000 0.479 249 S N -0.541 115.244 115.700 0.142 0.000 2.584 249 S HA 0.027 4.498 4.470 0.001 0.000 0.270 249 S C 1.223 175.859 174.600 0.060 0.000 1.346 249 S CA -0.140 58.092 58.200 0.054 0.000 1.018 249 S CB 1.221 64.483 63.200 0.103 0.000 0.899 249 S HN 0.788 nan 8.310 nan 0.000 0.542 250 T N -0.364 114.106 114.554 -0.140 0.000 2.881 250 T HA -0.129 4.222 4.350 0.001 0.000 0.270 250 T C 1.326 176.206 174.700 0.300 0.000 1.068 250 T CA 1.168 63.193 62.100 -0.125 0.000 1.131 250 T CB -0.722 67.968 68.868 -0.296 0.000 0.871 250 T HN 0.627 nan 8.240 nan 0.000 0.479 251 F N 2.833 122.873 119.950 0.150 0.000 2.084 251 F HA -0.010 4.517 4.527 0.001 0.000 0.296 251 F C 1.943 177.809 175.800 0.111 0.000 1.111 251 F CA 1.516 59.612 58.000 0.160 0.000 1.224 251 F CB -0.492 38.574 39.000 0.109 0.000 0.991 251 F HN 0.054 nan 8.300 nan 0.000 0.471 252 D N -0.317 120.096 120.400 0.023 0.000 2.219 252 D HA -0.203 4.437 4.640 0.001 0.000 0.205 252 D C 2.163 178.385 176.300 -0.130 0.000 0.970 252 D CA 1.199 55.117 54.000 -0.136 0.000 0.851 252 D CB -0.524 40.322 40.800 0.078 0.000 0.943 252 D HN 0.370 nan 8.370 nan 0.000 0.488 253 F N 1.485 121.402 119.950 -0.055 0.000 2.113 253 F HA -0.189 4.338 4.527 0.001 0.000 0.297 253 F C 2.163 177.817 175.800 -0.243 0.000 1.103 253 F CA 0.754 58.728 58.000 -0.044 0.000 1.248 253 F CB -0.169 38.982 39.000 0.252 0.000 0.999 253 F HN -0.128 nan 8.300 nan 0.000 0.475 254 L N 1.309 122.528 121.223 -0.007 0.000 1.989 254 L HA -0.237 4.104 4.340 0.001 0.000 0.211 254 L C 2.460 178.915 176.870 -0.693 0.000 1.071 254 L CA 2.226 56.879 54.840 -0.312 0.000 0.749 254 L CB -1.278 40.683 42.059 -0.163 0.000 0.890 254 L HN 0.224 nan 8.230 nan 0.000 0.431 255 K N -0.631 119.184 120.400 -0.975 0.000 2.020 255 K HA -0.241 4.080 4.320 0.001 0.000 0.212 255 K C 1.624 177.768 176.600 -0.760 0.000 1.050 255 K CA 2.145 57.670 56.287 -1.270 0.000 0.929 255 K CB -0.404 31.430 32.500 -1.110 0.000 0.714 255 K HN 0.411 nan 8.250 nan 0.000 0.443 256 D N 0.376 120.434 120.400 -0.571 0.000 2.351 256 D HA -0.114 4.526 4.640 0.001 0.000 0.216 256 D C 0.789 176.777 176.300 -0.521 0.000 0.968 256 D CA 0.793 54.516 54.000 -0.462 0.000 0.899 256 D CB -0.244 40.301 40.800 -0.424 0.000 0.907 256 D HN 0.240 nan 8.370 nan 0.000 0.514 257 N N 0.659 119.007 118.700 -0.588 0.000 2.380 257 N HA -0.016 4.724 4.740 0.001 0.000 0.255 257 N C -0.600 174.705 175.510 -0.341 0.000 1.158 257 N CA -0.232 52.517 53.050 -0.502 0.000 0.878 257 N CB -0.389 37.753 38.487 -0.575 0.000 1.138 257 N HN -0.169 nan 8.380 nan 0.000 0.509 258 N N 0.831 119.348 118.700 -0.304 0.000 2.725 258 N HA -0.265 4.476 4.740 0.001 0.000 0.249 258 N C -0.730 174.793 175.510 0.023 0.000 1.103 258 N CA 1.006 53.989 53.050 -0.111 0.000 0.707 258 N CB -1.606 36.847 38.487 -0.057 0.000 1.043 258 N HN 0.509 nan 8.380 nan 0.000 0.553 259 Y N -3.002 117.215 120.300 -0.140 0.000 4.324 259 Y HA -0.281 4.269 4.550 0.001 0.000 0.224 259 Y C 0.774 176.619 175.900 -0.091 0.000 1.113 259 Y CA 0.512 58.555 58.100 -0.095 0.000 1.887 259 Y CB -1.844 36.606 38.460 -0.015 0.000 1.602 259 Y HN 0.319 nan 8.280 nan 0.000 0.654 260 L N 3.579 124.767 121.223 -0.059 0.000 2.418 260 L HA 0.176 4.516 4.340 0.001 0.000 0.274 260 L C -1.530 175.236 176.870 -0.175 0.000 1.135 260 L CA -1.728 53.057 54.840 -0.092 0.000 0.870 260 L CB 0.334 42.325 42.059 -0.113 0.000 1.154 260 L HN -0.142 nan 8.230 nan 0.000 0.462 261 P HA 0.015 nan 4.420 nan 0.000 0.272 261 P C -1.018 176.164 177.300 -0.196 0.000 1.230 261 P CA -0.200 62.796 63.100 -0.173 0.000 0.788 261 P CB 0.377 31.967 31.700 -0.183 0.000 0.949 262 Y N 0.792 121.061 120.300 -0.050 0.000 2.411 262 Y HA 0.177 4.727 4.550 0.001 0.000 0.333 262 Y C -1.372 174.473 175.900 -0.092 0.000 1.186 262 Y CA -1.491 56.563 58.100 -0.078 0.000 1.381 262 Y CB -1.007 37.382 38.460 -0.117 0.000 1.273 262 Y HN 0.313 nan 8.280 nan 0.000 0.546 263 P HA -0.019 nan 4.420 nan 0.000 0.269 263 P C 0.994 178.297 177.300 0.005 0.000 1.217 263 P CA 0.091 63.198 63.100 0.012 0.000 0.783 263 P CB 0.743 32.444 31.700 0.003 0.000 0.898 264 I N 1.944 122.576 120.570 0.103 0.000 2.361 264 I HA -0.270 3.900 4.170 0.001 0.000 0.251 264 I C 2.261 178.446 176.117 0.114 0.000 1.133 264 I CA 1.315 62.701 61.300 0.144 0.000 1.413 264 I CB -0.286 37.776 38.000 0.104 0.000 1.073 264 I HN 0.477 nan 8.210 nan 0.000 0.424 265 H N 0.340 119.458 119.070 0.079 0.000 2.389 265 H HA -0.154 4.403 4.556 0.001 0.000 0.299 265 H C 1.674 177.032 175.328 0.051 0.000 1.081 265 H CA 1.234 57.299 56.048 0.029 0.000 1.345 265 H CB -0.675 29.089 29.762 0.004 0.000 1.393 265 H HN 0.505 nan 8.280 nan 0.000 0.520 266 Q N 0.801 120.262 119.800 -0.566 0.000 2.079 266 Q HA -0.038 4.303 4.340 0.001 0.000 0.200 266 Q C 2.813 178.741 176.000 -0.121 0.000 0.974 266 Q CA 1.323 56.942 55.803 -0.307 0.000 0.840 266 Q CB 0.047 28.580 28.738 -0.342 0.000 0.898 266 Q HN 0.295 nan 8.270 nan 0.000 0.430 267 V N 1.391 121.277 119.914 -0.046 0.000 2.332 267 V HA -0.312 3.808 4.120 0.001 0.000 0.248 267 V C 2.427 178.638 176.094 0.196 0.000 1.055 267 V CA 2.218 64.558 62.300 0.068 0.000 1.038 267 V CB -0.649 31.291 31.823 0.195 0.000 0.651 267 V HN 0.328 nan 8.190 nan 0.000 0.450 268 R N -0.803 119.821 120.500 0.208 0.000 2.073 268 R HA -0.211 4.130 4.340 0.001 0.000 0.234 268 R C 2.509 178.988 176.300 0.299 0.000 1.134 268 R CA 2.019 58.224 56.100 0.174 0.000 0.952 268 R CB -0.525 29.615 30.300 -0.266 0.000 0.850 268 R HN 0.715 nan 8.270 nan 0.000 0.433 269 H N -0.241 118.882 119.070 0.088 0.000 2.353 269 H HA -0.113 4.443 4.556 0.001 0.000 0.300 269 H C 2.061 177.466 175.328 0.127 0.000 1.090 269 H CA 1.990 58.103 56.048 0.108 0.000 1.327 269 H CB 0.070 29.855 29.762 0.039 0.000 1.383 269 H HN 0.243 nan 8.280 nan 0.000 0.508 270 M N 0.272 119.854 119.600 -0.029 0.000 2.067 270 M HA -0.149 4.331 4.480 0.001 0.000 0.260 270 M C 2.907 179.218 176.300 0.019 0.000 1.069 270 M CA 1.599 56.808 55.300 -0.152 0.000 1.117 270 M CB -0.253 32.137 32.600 -0.349 0.000 1.334 270 M HN 0.337 nan 8.290 nan 0.000 0.407 271 A N 0.125 123.072 122.820 0.212 0.000 1.917 271 A HA -0.229 4.091 4.320 0.001 0.000 0.219 271 A C 2.040 179.772 177.584 0.247 0.000 1.182 271 A CA 1.738 53.964 52.037 0.316 0.000 0.633 271 A CB -1.139 18.164 19.000 0.505 0.000 0.819 271 A HN 0.512 nan 8.150 nan 0.000 0.448 272 F N 0.807 120.810 119.950 0.089 0.000 2.069 272 F HA -0.235 4.293 4.527 0.001 0.000 0.298 272 F C 2.597 178.219 175.800 -0.297 0.000 1.113 272 F CA 2.286 60.043 58.000 -0.405 0.000 1.214 272 F CB -0.593 38.256 39.000 -0.252 0.000 0.978 272 F HN 0.366 nan 8.300 nan 0.000 0.474 273 Q N -0.410 119.258 119.800 -0.220 0.000 2.046 273 Q HA -0.203 4.137 4.340 0.001 0.000 0.200 273 Q C 2.202 178.035 176.000 -0.279 0.000 0.975 273 Q CA 1.599 57.213 55.803 -0.314 0.000 0.836 273 Q CB -0.701 27.868 28.738 -0.283 0.000 0.896 273 Q HN 0.444 nan 8.270 nan 0.000 0.428 274 L N 0.895 122.000 121.223 -0.196 0.000 2.021 274 L HA -0.236 4.104 4.340 0.001 0.000 0.215 274 L C 2.204 178.963 176.870 -0.185 0.000 1.074 274 L CA 1.846 56.587 54.840 -0.166 0.000 0.760 274 L CB -0.880 41.118 42.059 -0.102 0.000 0.889 274 L HN 0.290 nan 8.230 nan 0.000 0.433 275 C N -0.681 118.492 119.300 -0.211 0.000 2.432 275 C HA -0.167 4.294 4.460 0.001 0.000 0.277 275 C C 2.669 177.509 174.990 -0.251 0.000 1.249 275 C CA 0.971 59.863 59.018 -0.211 0.000 1.725 275 C CB -0.935 26.661 27.740 -0.239 0.000 2.028 275 C HN 0.642 nan 8.230 nan 0.000 0.477 276 Q N 0.949 120.513 119.800 -0.393 0.000 2.002 276 Q HA -0.209 4.132 4.340 0.001 0.000 0.204 276 Q C 2.579 178.485 176.000 -0.156 0.000 0.988 276 Q CA 1.990 57.601 55.803 -0.320 0.000 0.843 276 Q CB -0.502 27.981 28.738 -0.425 0.000 0.908 276 Q HN 0.724 nan 8.270 nan 0.000 0.420 277 A N 0.495 123.217 122.820 -0.163 0.000 1.903 277 A HA -0.208 4.112 4.320 0.001 0.000 0.219 277 A C 2.329 179.910 177.584 -0.006 0.000 1.191 277 A CA 2.084 54.075 52.037 -0.077 0.000 0.638 277 A CB -0.872 18.064 19.000 -0.105 0.000 0.823 277 A HN 0.254 nan 8.150 nan 0.000 0.451 278 V N -0.150 119.700 119.914 -0.106 0.000 2.788 278 V HA -0.146 3.974 4.120 0.001 0.000 0.251 278 V C 2.407 178.329 176.094 -0.286 0.000 1.068 278 V CA 1.971 64.144 62.300 -0.212 0.000 1.090 278 V CB -0.594 31.055 31.823 -0.289 0.000 0.710 278 V HN 0.713 nan 8.190 nan 0.000 0.467 279 K N 0.320 120.652 120.400 -0.113 0.000 2.057 279 K HA -0.241 4.079 4.320 0.001 0.000 0.207 279 K C 2.120 178.752 176.600 0.053 0.000 1.049 279 K CA 1.858 58.148 56.287 0.005 0.000 0.931 279 K CB -0.354 32.158 32.500 0.020 0.000 0.714 279 K HN 0.350 nan 8.250 nan 0.000 0.440 280 F N 1.934 121.843 119.950 -0.069 0.000 2.091 280 F HA -0.243 4.284 4.527 0.001 0.000 0.299 280 F C 1.627 177.421 175.800 -0.011 0.000 1.103 280 F CA 1.642 59.621 58.000 -0.035 0.000 1.228 280 F CB -0.324 38.647 39.000 -0.048 0.000 0.984 280 F HN -0.012 nan 8.300 nan 0.000 0.477 281 L N -0.742 120.428 121.223 -0.088 0.000 2.012 281 L HA -0.283 4.058 4.340 0.001 0.000 0.210 281 L C 2.689 179.508 176.870 -0.086 0.000 1.073 281 L CA 1.535 56.282 54.840 -0.156 0.000 0.748 281 L CB -1.294 40.739 42.059 -0.043 0.000 0.891 281 L HN 0.201 nan 8.230 nan 0.000 0.431 282 H N 0.105 119.154 119.070 -0.034 0.000 2.352 282 H HA -0.167 4.390 4.556 0.001 0.000 0.299 282 H C 2.000 177.306 175.328 -0.036 0.000 1.097 282 H CA 1.467 57.508 56.048 -0.012 0.000 1.311 282 H CB -0.451 29.322 29.762 0.018 0.000 1.377 282 H HN 0.328 nan 8.280 nan 0.000 0.504 283 D N 0.519 120.950 120.400 0.052 0.000 2.149 283 D HA -0.110 4.530 4.640 0.001 0.000 0.198 283 D C 0.874 177.141 176.300 -0.054 0.000 0.990 283 D CA 0.853 54.845 54.000 -0.012 0.000 0.839 283 D CB -0.283 40.493 40.800 -0.040 0.000 0.948 283 D HN 0.363 nan 8.370 nan 0.000 0.460 284 N N 0.591 119.205 118.700 -0.144 0.000 2.466 284 N HA 0.055 4.796 4.740 0.001 0.000 0.251 284 N C 0.256 175.810 175.510 0.073 0.000 1.164 284 N CA 0.455 53.450 53.050 -0.092 0.000 0.888 284 N CB 0.468 38.808 38.487 -0.245 0.000 1.177 284 N HN 0.189 nan 8.380 nan 0.000 0.498 285 K N 0.098 120.555 120.400 0.095 0.000 3.077 285 K HA -0.185 4.135 4.320 0.001 0.000 0.264 285 K C -0.355 176.367 176.600 0.202 0.000 1.008 285 K CA 1.064 57.454 56.287 0.171 0.000 0.740 285 K CB -2.513 30.114 32.500 0.211 0.000 1.273 285 K HN 0.419 nan 8.250 nan 0.000 0.477 286 L N -0.221 121.056 121.223 0.090 0.000 2.341 286 L HA 0.754 5.094 4.340 0.001 0.000 0.267 286 L C 0.324 177.265 176.870 0.117 0.000 1.009 286 L CA -1.114 53.698 54.840 -0.048 0.000 0.819 286 L CB 2.739 44.682 42.059 -0.193 0.000 1.323 286 L HN 0.324 nan 8.230 nan 0.000 0.425 287 T N 0.037 114.635 114.554 0.074 0.000 2.881 287 T HA 0.196 4.547 4.350 0.001 0.000 0.291 287 T C 0.558 175.318 174.700 0.100 0.000 0.990 287 T CA -0.414 61.810 62.100 0.207 0.000 0.976 287 T CB 1.228 70.280 68.868 0.305 0.000 0.970 287 T HN 0.552 nan 8.240 nan 0.000 0.438 288 H N 3.503 122.575 119.070 0.003 0.000 2.321 288 H HA -0.165 4.391 4.556 0.001 0.000 0.300 288 H C 1.926 177.182 175.328 -0.121 0.000 1.087 288 H CA 3.017 59.026 56.048 -0.065 0.000 1.319 288 H CB 0.104 29.794 29.762 -0.119 0.000 1.379 288 H HN 0.991 nan 8.280 nan 0.000 0.501 289 T N -2.318 112.279 114.554 0.072 0.000 8.466 289 T HA -0.279 4.071 4.350 0.001 0.000 0.319 289 T C 0.402 175.068 174.700 -0.057 0.000 2.022 289 T CA 1.914 63.936 62.100 -0.130 0.000 3.147 289 T CB -1.967 66.685 68.868 -0.359 0.000 2.153 289 T HN 0.467 nan 8.240 nan 0.000 1.109 290 D N 0.792 121.293 120.400 0.170 0.000 2.945 290 D HA 0.491 5.131 4.640 0.001 0.000 0.366 290 D C 0.023 176.301 176.300 -0.036 0.000 1.352 290 D CA -0.540 53.501 54.000 0.068 0.000 0.810 290 D CB -0.108 40.712 40.800 0.032 0.000 1.170 290 D HN 0.711 nan 8.370 nan 0.000 0.461 291 L N 1.697 122.787 121.223 -0.222 0.000 2.367 291 L HA 0.383 4.723 4.340 0.001 0.000 0.275 291 L C 0.381 176.959 176.870 -0.486 0.000 1.129 291 L CA 0.221 54.778 54.840 -0.471 0.000 0.839 291 L CB 0.526 42.323 42.059 -0.436 0.000 1.133 291 L HN 0.119 nan 8.230 nan 0.000 0.453 292 K N 1.828 121.904 120.400 -0.540 0.000 2.642 292 K HA 0.364 4.684 4.320 0.001 0.000 0.290 292 K C -2.751 173.587 176.600 -0.436 0.000 1.006 292 K CA -1.423 54.421 56.287 -0.740 0.000 0.869 292 K CB 0.918 33.010 32.500 -0.680 0.000 1.499 292 K HN -0.086 nan 8.250 nan 0.000 0.403 293 P HA -0.146 nan 4.420 nan 0.000 0.218 293 P C 0.327 177.629 177.300 0.003 0.000 1.149 293 P CA 1.262 64.326 63.100 -0.059 0.000 0.817 293 P CB 0.142 31.949 31.700 0.177 0.000 0.785 294 E N -0.686 119.485 120.200 -0.048 0.000 2.204 294 E HA -0.110 4.240 4.350 0.001 0.000 0.195 294 E C 1.097 177.662 176.600 -0.059 0.000 0.990 294 E CA 0.810 57.207 56.400 -0.006 0.000 0.821 294 E CB -0.667 28.997 29.700 -0.060 0.000 0.750 294 E HN 0.238 nan 8.360 nan 0.000 0.477 295 N N 0.101 118.716 118.700 -0.140 0.000 2.313 295 N HA 0.144 4.884 4.740 0.001 0.000 0.207 295 N C -0.677 174.694 175.510 -0.232 0.000 1.141 295 N CA 0.280 53.218 53.050 -0.187 0.000 0.830 295 N CB 0.537 38.891 38.487 -0.222 0.000 1.008 295 N HN 0.138 nan 8.380 nan 0.000 0.481 296 I N 1.421 121.872 120.570 -0.198 0.000 2.439 296 I HA 0.276 4.446 4.170 0.001 0.000 0.283 296 I C -0.678 175.288 176.117 -0.251 0.000 1.023 296 I CA -0.421 60.744 61.300 -0.225 0.000 1.100 296 I CB 1.709 39.589 38.000 -0.200 0.000 1.238 296 I HN -0.314 nan 8.210 nan 0.000 0.445 297 L N 5.601 126.683 121.223 -0.234 0.000 2.317 297 L HA 0.521 4.862 4.340 0.001 0.000 0.281 297 L C -0.499 176.252 176.870 -0.198 0.000 1.024 297 L CA -0.801 53.923 54.840 -0.193 0.000 0.810 297 L CB 1.450 43.446 42.059 -0.104 0.000 1.240 297 L HN 0.334 nan 8.230 nan 0.000 0.427 298 F N 1.581 121.492 119.950 -0.065 0.000 2.529 298 F HA 0.011 4.539 4.527 0.001 0.000 0.365 298 F C 1.470 177.240 175.800 -0.050 0.000 1.102 298 F CA 0.052 58.003 58.000 -0.081 0.000 1.271 298 F CB 0.577 39.527 39.000 -0.083 0.000 1.120 298 F HN 0.175 nan 8.300 nan 0.000 0.579 299 V N 1.545 121.555 119.914 0.159 0.000 2.287 299 V HA -0.248 3.872 4.120 0.001 0.000 0.248 299 V C 0.809 176.957 176.094 0.089 0.000 1.053 299 V CA 1.884 64.235 62.300 0.084 0.000 1.027 299 V CB -0.553 31.305 31.823 0.058 0.000 0.646 299 V HN 0.771 nan 8.190 nan 0.000 0.447 300 N N -0.909 117.846 118.700 0.091 0.000 2.500 300 N HA 0.093 4.833 4.740 0.001 0.000 0.291 300 N C 0.171 175.685 175.510 0.008 0.000 1.092 300 N CA 0.409 53.493 53.050 0.056 0.000 0.890 300 N CB 2.020 40.521 38.487 0.024 0.000 1.466 300 N HN 0.147 nan 8.380 nan 0.000 0.507 301 S N 1.116 116.858 115.700 0.070 0.000 2.679 301 S HA 0.150 4.621 4.470 0.001 0.000 0.233 301 S C -0.025 174.669 174.600 0.157 0.000 0.951 301 S CA -0.481 57.749 58.200 0.050 0.000 0.973 301 S CB -0.269 63.109 63.200 0.296 0.000 0.778 301 S HN 0.423 nan 8.310 nan 0.000 0.477 302 D N 2.777 123.213 120.400 0.059 0.000 2.506 302 D HA 0.272 4.912 4.640 0.001 0.000 0.234 302 D C -0.111 176.235 176.300 0.077 0.000 1.143 302 D CA 0.663 54.674 54.000 0.019 0.000 0.871 302 D CB 0.181 40.954 40.800 -0.045 0.000 1.190 302 D HN 0.659 nan 8.370 nan 0.000 0.459 303 Y N -1.731 118.600 120.300 0.052 0.000 2.588 303 Y HA 0.572 5.123 4.550 0.001 0.000 0.343 303 Y C -0.665 175.264 175.900 0.048 0.000 1.065 303 Y CA -1.199 56.951 58.100 0.082 0.000 1.038 303 Y CB 1.095 39.709 38.460 0.258 0.000 1.297 303 Y HN 0.182 nan 8.280 nan 0.000 0.467 304 E N 2.277 122.622 120.200 0.241 0.000 2.221 304 E HA 0.509 4.859 4.350 0.001 0.000 0.268 304 E C -1.412 175.357 176.600 0.282 0.000 0.933 304 E CA -1.102 55.391 56.400 0.156 0.000 0.809 304 E CB 2.725 32.477 29.700 0.086 0.000 1.190 304 E HN 0.590 nan 8.360 nan 0.000 0.406 305 L N 1.997 123.345 121.223 0.208 0.000 2.290 305 L HA 0.318 4.658 4.340 0.001 0.000 0.284 305 L C -0.045 176.892 176.870 0.112 0.000 1.078 305 L CA 0.135 55.070 54.840 0.157 0.000 0.815 305 L CB 0.717 42.853 42.059 0.129 0.000 1.162 305 L HN 0.651 nan 8.230 nan 0.000 0.435 306 T N -0.714 113.903 114.554 0.106 0.000 2.982 306 T HA 0.247 4.597 4.350 0.001 0.000 0.321 306 T C -0.858 173.925 174.700 0.139 0.000 1.229 306 T CA -0.740 61.429 62.100 0.115 0.000 1.044 306 T CB 0.747 69.673 68.868 0.098 0.000 1.184 306 T HN 0.306 nan 8.240 nan 0.000 0.477 307 Y N 3.002 123.315 120.300 0.021 0.000 2.544 307 Y HA 0.244 4.795 4.550 0.001 0.000 0.330 307 Y C 0.670 176.582 175.900 0.020 0.000 1.136 307 Y CA -0.072 58.037 58.100 0.015 0.000 1.417 307 Y CB 0.534 39.001 38.460 0.011 0.000 1.229 307 Y HN 0.755 nan 8.280 nan 0.000 0.532 308 N N 7.019 125.451 118.700 -0.446 0.000 2.485 308 N HA 0.005 4.745 4.740 0.001 0.000 0.243 308 N C 0.206 175.344 175.510 -0.621 0.000 0.987 308 N CA -0.278 52.552 53.050 -0.367 0.000 0.940 308 N CB 1.252 39.614 38.487 -0.208 0.000 1.122 308 N HN 0.861 nan 8.380 nan 0.000 0.509 309 L N 4.467 125.457 121.223 -0.388 0.000 2.109 309 L HA 0.057 4.397 4.340 0.001 0.000 0.207 309 L C 2.061 178.833 176.870 -0.163 0.000 1.086 309 L CA 1.755 56.430 54.840 -0.276 0.000 0.760 309 L CB -0.648 41.397 42.059 -0.024 0.000 0.910 309 L HN 0.674 nan 8.230 nan 0.000 0.437 310 E N -0.640 119.493 120.200 -0.113 0.000 2.118 310 E HA -0.205 4.145 4.350 0.001 0.000 0.195 310 E C 1.124 177.675 176.600 -0.083 0.000 0.992 310 E CA 1.018 57.379 56.400 -0.065 0.000 0.804 310 E CB 0.185 29.869 29.700 -0.027 0.000 0.741 310 E HN 0.336 nan 8.360 nan 0.000 0.458 311 K N -0.252 120.071 120.400 -0.129 0.000 2.387 311 K HA 0.031 4.352 4.320 0.001 0.000 0.198 311 K C 0.448 176.970 176.600 -0.131 0.000 1.022 311 K CA 0.695 56.914 56.287 -0.114 0.000 1.128 311 K CB 0.702 33.134 32.500 -0.113 0.000 0.853 311 K HN 0.067 nan 8.250 nan 0.000 0.523 312 K N 2.291 122.579 120.400 -0.185 0.000 3.356 312 K HA -0.241 4.080 4.320 0.001 0.000 0.270 312 K C 0.029 176.597 176.600 -0.054 0.000 0.901 312 K CA 1.910 58.128 56.287 -0.116 0.000 0.688 312 K CB -2.170 30.360 32.500 0.051 0.000 1.460 312 K HN 0.705 nan 8.250 nan 0.000 0.458 313 R N -0.755 119.596 120.500 -0.248 0.000 2.663 313 R HA 0.503 4.843 4.340 0.001 0.000 0.267 313 R C -1.905 174.367 176.300 -0.047 0.000 1.038 313 R CA -0.848 55.232 56.100 -0.034 0.000 0.886 313 R CB 1.218 31.497 30.300 -0.035 0.000 1.249 313 R HN 0.090 nan 8.270 nan 0.000 0.463 314 D N 2.183 122.651 120.400 0.114 0.000 2.399 314 D HA 0.130 4.771 4.640 0.001 0.000 0.241 314 D C -0.062 176.242 176.300 0.008 0.000 1.133 314 D CA 0.745 54.805 54.000 0.101 0.000 0.890 314 D CB 0.972 41.829 40.800 0.094 0.000 1.201 314 D HN 0.547 nan 8.370 nan 0.000 0.432 315 E N -0.263 119.939 120.200 0.004 0.000 2.423 315 E HA 0.457 4.807 4.350 0.001 0.000 0.280 315 E C -0.997 175.596 176.600 -0.011 0.000 1.030 315 E CA -1.060 55.318 56.400 -0.036 0.000 0.812 315 E CB 1.388 31.051 29.700 -0.061 0.000 1.313 315 E HN 0.091 nan 8.360 nan 0.000 0.456 316 R N 0.819 121.279 120.500 -0.067 0.000 2.221 316 R HA 0.358 4.699 4.340 0.001 0.000 0.327 316 R C -0.716 175.664 176.300 0.134 0.000 1.033 316 R CA -0.268 55.810 56.100 -0.036 0.000 0.887 316 R CB 1.285 31.314 30.300 -0.451 0.000 1.057 316 R HN 0.588 nan 8.270 nan 0.000 0.455 317 S N 1.453 117.275 115.700 0.202 0.000 2.530 317 S HA 0.200 4.670 4.470 0.001 0.000 0.322 317 S C -0.003 174.696 174.600 0.165 0.000 1.085 317 S CA -0.959 57.339 58.200 0.163 0.000 1.096 317 S CB 1.726 64.991 63.200 0.108 0.000 0.988 317 S HN 0.368 nan 8.310 nan 0.000 0.466 318 V N 4.318 124.213 119.914 -0.032 0.000 2.694 318 V HA 0.097 4.218 4.120 0.001 0.000 0.306 318 V C 1.139 177.143 176.094 -0.151 0.000 1.054 318 V CA 0.451 62.596 62.300 -0.259 0.000 1.161 318 V CB 0.392 31.594 31.823 -1.036 0.000 0.916 318 V HN 1.044 nan 8.190 nan 0.000 0.490 319 K N 3.530 123.874 120.400 -0.094 0.000 2.288 319 K HA 0.052 4.372 4.320 0.001 0.000 0.201 319 K C 0.486 177.038 176.600 -0.080 0.000 1.048 319 K CA 1.024 57.277 56.287 -0.057 0.000 0.956 319 K CB 0.180 32.658 32.500 -0.037 0.000 0.746 319 K HN 0.657 nan 8.250 nan 0.000 0.461 320 S N 0.086 115.696 115.700 -0.149 0.000 2.689 320 S HA 0.087 4.557 4.470 0.001 0.000 0.274 320 S C 0.159 174.687 174.600 -0.121 0.000 1.176 320 S CA -0.835 57.312 58.200 -0.089 0.000 1.014 320 S CB 1.365 64.539 63.200 -0.043 0.000 1.071 320 S HN 0.194 nan 8.310 nan 0.000 0.478 321 T N 1.833 116.401 114.554 0.023 0.000 3.219 321 T HA 0.431 4.782 4.350 0.001 0.000 0.249 321 T C 0.850 175.670 174.700 0.201 0.000 1.099 321 T CA 0.243 62.420 62.100 0.128 0.000 0.988 321 T CB -0.321 68.661 68.868 0.190 0.000 0.999 321 T HN 1.013 nan 8.240 nan 0.000 0.550 322 A N 1.768 124.702 122.820 0.190 0.000 2.548 322 A HA 0.529 4.850 4.320 0.001 0.000 0.247 322 A C 0.595 178.233 177.584 0.090 0.000 1.067 322 A CA -0.299 51.803 52.037 0.107 0.000 0.757 322 A CB -0.280 18.785 19.000 0.108 0.000 0.996 322 A HN 1.024 nan 8.150 nan 0.000 0.504 323 V N 0.668 120.552 119.914 -0.049 0.000 3.158 323 V HA 0.963 5.083 4.120 0.001 0.000 0.311 323 V C -0.608 175.414 176.094 -0.121 0.000 1.181 323 V CA -1.326 60.907 62.300 -0.112 0.000 1.054 323 V CB 2.088 33.754 31.823 -0.261 0.000 1.085 323 V HN 0.904 nan 8.190 nan 0.000 0.446 324 R N 0.329 120.745 120.500 -0.139 0.000 2.740 324 R HA 0.738 5.079 4.340 0.001 0.000 0.273 324 R C -1.567 174.646 176.300 -0.146 0.000 0.998 324 R CA -0.694 55.334 56.100 -0.120 0.000 0.900 324 R CB 2.161 32.406 30.300 -0.092 0.000 1.223 324 R HN 0.690 nan 8.270 nan 0.000 0.466 325 V N 2.470 122.317 119.914 -0.112 0.000 2.481 325 V HA 0.468 4.588 4.120 0.001 0.000 0.286 325 V C 0.405 176.409 176.094 -0.151 0.000 1.042 325 V CA -0.561 61.644 62.300 -0.158 0.000 0.928 325 V CB 1.586 33.324 31.823 -0.142 0.000 0.986 325 V HN 0.608 nan 8.190 nan 0.000 0.462 326 V N 1.073 120.804 119.914 -0.306 0.000 3.155 326 V HA 0.801 4.921 4.120 0.001 0.000 0.313 326 V C -0.340 175.412 176.094 -0.569 0.000 1.162 326 V CA -0.864 61.207 62.300 -0.380 0.000 1.048 326 V CB 1.848 33.464 31.823 -0.345 0.000 1.092 326 V HN 0.851 nan 8.190 nan 0.000 0.447 327 D N 0.091 120.183 120.400 -0.512 0.000 3.916 327 D HA -0.174 4.467 4.640 0.001 0.000 0.250 327 D C -0.709 175.191 176.300 -0.667 0.000 1.058 327 D CA 0.649 54.398 54.000 -0.419 0.000 1.130 327 D CB -1.056 39.601 40.800 -0.239 0.000 0.913 327 D HN 0.683 nan 8.370 nan 0.000 0.418 328 F N 0.312 120.122 119.950 -0.233 0.000 2.750 328 F HA 0.358 4.886 4.527 0.001 0.000 0.297 328 F C 2.213 177.856 175.800 -0.262 0.000 1.138 328 F CA 0.089 57.890 58.000 -0.332 0.000 1.346 328 F CB 0.711 39.579 39.000 -0.220 0.000 0.965 328 F HN 0.332 nan 8.300 nan 0.000 0.514 329 G N -0.292 108.435 108.800 -0.122 0.000 2.432 329 G HA2 -0.191 3.769 3.960 0.001 0.000 0.219 329 G HA3 -0.191 3.769 3.960 0.001 0.000 0.219 329 G C 1.532 176.388 174.900 -0.073 0.000 1.135 329 G CA 1.047 46.107 45.100 -0.067 0.000 0.767 329 G HN 0.357 nan 8.290 nan 0.000 0.550 330 S N 0.022 115.637 115.700 -0.142 0.000 2.539 330 S HA 0.564 5.034 4.470 0.001 0.000 0.221 330 S C 1.070 175.572 174.600 -0.164 0.000 0.987 330 S CA -0.008 58.115 58.200 -0.128 0.000 0.929 330 S CB 0.637 63.762 63.200 -0.126 0.000 0.832 330 S HN 0.616 nan 8.310 nan 0.000 0.492 331 A N 1.910 124.596 122.820 -0.223 0.000 2.531 331 A HA 0.488 4.808 4.320 0.001 0.000 0.236 331 A C 0.260 177.711 177.584 -0.222 0.000 1.062 331 A CA 0.465 52.368 52.037 -0.222 0.000 0.760 331 A CB 0.090 18.995 19.000 -0.158 0.000 0.995 331 A HN 0.210 nan 8.150 nan 0.000 0.501 332 T N 2.262 116.673 114.554 -0.240 0.000 2.971 332 T HA 0.512 4.863 4.350 0.001 0.000 0.304 332 T C -0.690 173.822 174.700 -0.314 0.000 1.038 332 T CA -0.172 61.778 62.100 -0.250 0.000 1.007 332 T CB 0.481 69.257 68.868 -0.153 0.000 1.055 332 T HN 0.365 nan 8.240 nan 0.000 0.451 333 F N 1.551 121.401 119.950 -0.167 0.000 2.406 333 F HA 0.263 4.791 4.527 0.001 0.000 0.327 333 F C 1.700 177.386 175.800 -0.190 0.000 1.153 333 F CA -0.556 57.333 58.000 -0.186 0.000 1.218 333 F CB 0.541 39.335 39.000 -0.342 0.000 1.215 333 F HN 0.528 nan 8.300 nan 0.000 0.570 334 D N -0.505 120.004 120.400 0.181 0.000 2.178 334 D HA -0.171 4.469 4.640 0.001 0.000 0.201 334 D C 2.080 178.475 176.300 0.159 0.000 0.980 334 D CA 1.541 55.647 54.000 0.176 0.000 0.842 334 D CB -0.421 40.475 40.800 0.160 0.000 0.948 334 D HN 0.616 nan 8.370 nan 0.000 0.472 335 H N -0.017 119.141 119.070 0.147 0.000 2.502 335 H HA 0.189 4.745 4.556 0.001 0.000 0.283 335 H C 0.485 175.880 175.328 0.112 0.000 1.015 335 H CA 0.275 56.373 56.048 0.083 0.000 1.298 335 H CB -0.130 29.650 29.762 0.030 0.000 1.411 335 H HN 0.115 nan 8.280 nan 0.000 0.556 336 E N 0.952 121.033 120.200 -0.200 0.000 2.369 336 E HA 0.028 4.379 4.350 0.001 0.000 0.255 336 E C -0.465 176.224 176.600 0.149 0.000 1.172 336 E CA -0.537 55.846 56.400 -0.028 0.000 0.932 336 E CB 0.833 30.485 29.700 -0.080 0.000 1.040 336 E HN 0.370 nan 8.360 nan 0.000 0.454 337 H N 0.674 119.788 119.070 0.074 0.000 2.886 337 H HA 0.037 4.593 4.556 0.001 0.000 0.329 337 H C -0.976 174.447 175.328 0.158 0.000 1.044 337 H CA 0.142 56.251 56.048 0.100 0.000 1.456 337 H CB 0.214 30.008 29.762 0.053 0.000 1.464 337 H HN 0.290 nan 8.280 nan 0.000 0.573 338 H N 2.720 121.373 119.070 -0.695 0.000 2.552 338 H HA 0.251 4.808 4.556 0.001 0.000 0.311 338 H C 0.149 175.163 175.328 -0.523 0.000 1.071 338 H CA -0.487 55.234 56.048 -0.545 0.000 1.307 338 H CB 0.915 30.157 29.762 -0.867 0.000 1.416 338 H HN 0.634 nan 8.280 nan 0.000 0.464 339 S N 1.769 117.487 115.700 0.029 0.000 2.566 339 S HA -0.039 4.432 4.470 0.001 0.000 0.280 339 S C 1.229 176.003 174.600 0.288 0.000 1.343 339 S CA 0.053 58.327 58.200 0.124 0.000 1.036 339 S CB 0.723 64.011 63.200 0.146 0.000 0.866 339 S HN 0.734 nan 8.310 nan 0.000 0.526 340 T N 2.326 116.996 114.554 0.194 0.000 2.639 340 T HA 0.027 4.377 4.350 0.001 0.000 0.261 340 T C 0.802 175.620 174.700 0.196 0.000 1.053 340 T CA 1.003 63.231 62.100 0.212 0.000 1.158 340 T CB -0.173 68.770 68.868 0.125 0.000 0.863 340 T HN 0.460 nan 8.240 nan 0.000 0.413 341 I N 2.146 122.765 120.570 0.083 0.000 2.353 341 I HA 0.227 4.397 4.170 0.001 0.000 0.293 341 I C 0.795 176.857 176.117 -0.090 0.000 0.992 341 I CA -0.389 60.901 61.300 -0.016 0.000 1.268 341 I CB 1.920 39.914 38.000 -0.010 0.000 1.387 341 I HN 0.040 nan 8.210 nan 0.000 0.478 342 V N 0.479 120.249 119.914 -0.239 0.000 3.408 342 V HA 0.272 4.393 4.120 0.001 0.000 0.263 342 V C 0.569 176.502 176.094 -0.268 0.000 1.503 342 V CA -0.001 62.097 62.300 -0.338 0.000 1.046 342 V CB 0.278 31.624 31.823 -0.794 0.000 0.851 342 V HN 0.576 nan 8.190 nan 0.000 0.435 343 S N 0.889 116.459 115.700 -0.217 0.000 2.718 343 S HA 0.577 5.047 4.470 0.001 0.000 0.300 343 S C 0.109 174.689 174.600 -0.033 0.000 1.117 343 S CA -0.232 57.903 58.200 -0.108 0.000 1.002 343 S CB 1.598 64.754 63.200 -0.074 0.000 1.092 343 S HN 0.426 nan 8.310 nan 0.000 0.542 344 T N 2.371 116.952 114.554 0.045 0.000 2.916 344 T HA 0.094 4.444 4.350 0.001 0.000 0.303 344 T C 1.462 176.178 174.700 0.028 0.000 1.025 344 T CA -0.207 61.937 62.100 0.073 0.000 1.142 344 T CB 0.515 69.486 68.868 0.172 0.000 0.947 344 T HN 0.620 nan 8.240 nan 0.000 0.544 345 R N 2.349 122.775 120.500 -0.124 0.000 2.196 345 R HA -0.254 4.087 4.340 0.001 0.000 0.244 345 R C 1.923 178.028 176.300 -0.325 0.000 1.121 345 R CA 2.201 58.138 56.100 -0.272 0.000 0.930 345 R CB -1.080 28.931 30.300 -0.482 0.000 0.890 345 R HN 0.789 nan 8.270 nan 0.000 0.435 346 H N -1.708 117.189 119.070 -0.289 0.000 2.518 346 H HA -0.125 4.431 4.556 0.001 0.000 0.289 346 H C 0.715 175.685 175.328 -0.597 0.000 1.051 346 H CA 1.568 57.277 56.048 -0.566 0.000 1.280 346 H CB -0.046 29.191 29.762 -0.874 0.000 1.380 346 H HN 0.430 nan 8.280 nan 0.000 0.566 347 Y N -0.415 119.998 120.300 0.189 0.000 2.612 347 Y HA 0.268 4.819 4.550 0.001 0.000 0.250 347 Y C 0.995 177.003 175.900 0.181 0.000 1.175 347 Y CA -0.529 57.697 58.100 0.211 0.000 1.205 347 Y CB 0.534 39.051 38.460 0.096 0.000 1.201 347 Y HN -0.164 nan 8.280 nan 0.000 0.532 348 R N 1.851 122.430 120.500 0.132 0.000 2.389 348 R HA 0.569 4.910 4.340 0.001 0.000 0.295 348 R C -0.020 176.035 176.300 -0.407 0.000 1.075 348 R CA -0.163 55.880 56.100 -0.094 0.000 1.005 348 R CB 0.596 30.822 30.300 -0.124 0.000 0.987 348 R HN 0.263 nan 8.270 nan 0.000 0.452 349 A N 5.911 128.365 122.820 -0.610 0.000 2.316 349 A HA 0.327 4.648 4.320 0.001 0.000 0.284 349 A C -1.614 175.420 177.584 -0.917 0.000 1.115 349 A CA -1.547 49.769 52.037 -1.202 0.000 0.812 349 A CB 0.556 19.171 19.000 -0.641 0.000 1.064 349 A HN 0.613 nan 8.150 nan 0.000 0.489 350 P HA -0.233 nan 4.420 nan 0.000 0.216 350 P C 1.051 178.157 177.300 -0.324 0.000 1.150 350 P CA 1.638 64.376 63.100 -0.604 0.000 0.837 350 P CB 0.082 31.524 31.700 -0.431 0.000 0.786 351 E N 0.405 120.451 120.200 -0.257 0.000 2.204 351 E HA -0.088 4.262 4.350 0.001 0.000 0.195 351 E C 1.877 178.448 176.600 -0.049 0.000 0.990 351 E CA 1.040 57.381 56.400 -0.098 0.000 0.821 351 E CB -1.378 28.306 29.700 -0.027 0.000 0.750 351 E HN 0.113 nan 8.360 nan 0.000 0.477 352 V N 2.055 121.896 119.914 -0.123 0.000 2.283 352 V HA -0.216 3.905 4.120 0.001 0.000 0.243 352 V C 2.693 178.733 176.094 -0.090 0.000 1.039 352 V CA 1.612 63.858 62.300 -0.089 0.000 1.016 352 V CB -0.499 31.183 31.823 -0.234 0.000 0.650 352 V HN 0.178 nan 8.190 nan 0.000 0.449 353 I N -0.022 120.437 120.570 -0.184 0.000 2.248 353 I HA -0.278 3.892 4.170 0.001 0.000 0.248 353 I C 1.833 177.934 176.117 -0.027 0.000 1.107 353 I CA 1.793 63.002 61.300 -0.151 0.000 1.373 353 I CB -0.273 37.552 38.000 -0.292 0.000 1.055 353 I HN 0.275 nan 8.210 nan 0.000 0.418 354 L N 0.100 121.315 121.223 -0.013 0.000 2.653 354 L HA 0.144 4.484 4.340 0.001 0.000 0.231 354 L C 0.136 177.042 176.870 0.060 0.000 1.153 354 L CA 0.019 54.902 54.840 0.072 0.000 0.933 354 L CB -0.425 41.673 42.059 0.065 0.000 1.175 354 L HN 0.187 nan 8.230 nan 0.000 0.473 355 E N 0.562 120.794 120.200 0.053 0.000 2.228 355 E HA -0.238 4.113 4.350 0.001 0.000 0.213 355 E C 0.532 177.158 176.600 0.044 0.000 1.282 355 E CA 0.114 56.554 56.400 0.067 0.000 0.707 355 E CB -1.386 28.353 29.700 0.065 0.000 1.150 355 E HN 0.537 nan 8.360 nan 0.000 0.362 356 L N -0.237 121.007 121.223 0.036 0.000 2.667 356 L HA 0.262 4.602 4.340 0.001 0.000 0.232 356 L C 1.102 177.971 176.870 -0.002 0.000 1.138 356 L CA 0.389 55.234 54.840 0.007 0.000 0.921 356 L CB 0.343 42.398 42.059 -0.006 0.000 1.180 356 L HN 0.479 nan 8.230 nan 0.000 0.487 357 G N 0.105 108.917 108.800 0.020 0.000 2.692 357 G HA2 -0.147 3.814 3.960 0.001 0.000 0.686 357 G HA3 -0.147 3.814 3.960 0.001 0.000 0.686 357 G C -1.233 173.716 174.900 0.081 0.000 1.243 357 G CA -0.328 44.741 45.100 -0.052 0.000 0.782 357 G HN 0.245 nan 8.290 nan 0.000 0.625 358 W N 0.167 121.465 121.300 -0.004 0.000 3.075 358 W HA 0.835 5.495 4.660 0.001 0.000 0.334 358 W C 0.122 176.692 176.519 0.085 0.000 1.243 358 W CA -0.516 56.841 57.345 0.020 0.000 1.170 358 W CB 0.950 30.416 29.460 0.009 0.000 1.452 358 W HN 1.793 nan 8.180 nan 0.000 0.572 359 S N -0.119 115.834 115.700 0.422 0.000 3.407 359 S HA 0.143 4.613 4.470 0.001 0.000 0.315 359 S C 0.608 175.378 174.600 0.283 0.000 1.211 359 S CA -0.326 58.073 58.200 0.331 0.000 1.148 359 S CB 1.307 64.569 63.200 0.103 0.000 1.511 359 S HN 0.370 nan 8.310 nan 0.000 0.604 360 Q N 1.615 121.462 119.800 0.078 0.000 2.156 360 Q HA 0.025 4.365 4.340 0.001 0.000 0.211 360 Q C -1.097 174.849 176.000 -0.090 0.000 0.995 360 Q CA 2.823 58.523 55.803 -0.172 0.000 0.877 360 Q CB -2.103 26.265 28.738 -0.617 0.000 0.920 360 Q HN 0.589 nan 8.270 nan 0.000 0.416 361 P HA -0.172 nan 4.420 nan 0.000 0.218 361 P C 1.203 178.583 177.300 0.134 0.000 1.146 361 P CA 1.522 64.657 63.100 0.059 0.000 0.813 361 P CB -0.356 31.386 31.700 0.069 0.000 0.778 362 C N -2.197 117.186 119.300 0.139 0.000 2.432 362 C HA -0.059 4.401 4.460 0.001 0.000 0.280 362 C C 2.182 177.257 174.990 0.142 0.000 1.353 362 C CA 0.431 59.514 59.018 0.107 0.000 1.766 362 C CB -1.726 26.016 27.740 0.004 0.000 1.924 362 C HN 0.121 nan 8.230 nan 0.000 0.509 363 D N 1.428 121.926 120.400 0.162 0.000 2.104 363 D HA -0.099 4.541 4.640 0.001 0.000 0.194 363 D C 2.410 178.809 176.300 0.164 0.000 0.994 363 D CA 1.622 55.722 54.000 0.166 0.000 0.830 363 D CB -0.322 40.646 40.800 0.279 0.000 0.959 363 D HN 0.447 nan 8.370 nan 0.000 0.452 364 V N 0.892 120.927 119.914 0.202 0.000 2.407 364 V HA -0.205 3.915 4.120 0.001 0.000 0.248 364 V C 2.170 178.344 176.094 0.133 0.000 1.055 364 V CA 1.276 63.666 62.300 0.150 0.000 1.049 364 V CB -0.474 31.433 31.823 0.139 0.000 0.662 364 V HN 0.400 nan 8.190 nan 0.000 0.455 365 W N 1.202 122.508 121.300 0.010 0.000 2.333 365 W HA -0.224 4.436 4.660 0.000 0.000 0.316 365 W C 2.560 179.089 176.519 0.016 0.000 1.215 365 W CA 2.230 59.573 57.345 -0.004 0.000 1.278 365 W CB -0.586 28.862 29.460 -0.021 0.000 1.154 365 W HN 0.336 nan 8.180 nan 0.000 0.486 366 S N 1.290 117.174 115.700 0.306 0.000 2.359 366 S HA -0.242 4.228 4.470 0.001 0.000 0.224 366 S C 1.834 176.447 174.600 0.023 0.000 1.035 366 S CA 1.987 60.317 58.200 0.218 0.000 1.018 366 S CB -0.691 62.578 63.200 0.114 0.000 0.876 366 S HN 0.276 nan 8.310 nan 0.000 0.448 367 I N 1.570 122.119 120.570 -0.035 0.000 2.208 367 I HA -0.183 3.988 4.170 0.001 0.000 0.245 367 I C 2.678 178.710 176.117 -0.141 0.000 1.097 367 I CA 1.202 62.439 61.300 -0.104 0.000 1.363 367 I CB -0.896 37.066 38.000 -0.064 0.000 1.051 367 I HN 0.377 nan 8.210 nan 0.000 0.413 368 G N 0.077 108.775 108.800 -0.170 0.000 2.459 368 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 368 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 368 G C 1.706 176.453 174.900 -0.256 0.000 1.183 368 G CA 1.146 46.088 45.100 -0.263 0.000 0.776 368 G HN 0.446 nan 8.290 nan 0.000 0.552 369 C N 0.392 119.555 119.300 -0.229 0.000 2.403 369 C HA -0.036 4.425 4.460 0.001 0.000 0.277 369 C C 2.849 177.844 174.990 0.009 0.000 1.248 369 C CA 0.621 59.584 59.018 -0.090 0.000 1.762 369 C CB -1.079 26.748 27.740 0.145 0.000 2.014 369 C HN 0.473 nan 8.230 nan 0.000 0.486 370 I N 0.621 121.138 120.570 -0.087 0.000 2.193 370 I HA -0.156 4.015 4.170 0.001 0.000 0.240 370 I C 2.357 178.170 176.117 -0.506 0.000 1.084 370 I CA 1.241 62.333 61.300 -0.348 0.000 1.365 370 I CB -0.453 37.238 38.000 -0.515 0.000 1.064 370 I HN 0.185 nan 8.210 nan 0.000 0.410 371 I N 0.725 121.099 120.570 -0.327 0.000 2.151 371 I HA -0.343 3.827 4.170 0.001 0.000 0.243 371 I C 2.592 178.617 176.117 -0.153 0.000 1.080 371 I CA 1.914 63.100 61.300 -0.191 0.000 1.339 371 I CB -1.591 36.297 38.000 -0.188 0.000 1.039 371 I HN 0.209 nan 8.210 nan 0.000 0.409 372 F N 1.849 121.593 119.950 -0.343 0.000 2.095 372 F HA -0.274 4.253 4.527 0.001 0.000 0.298 372 F C 2.699 178.357 175.800 -0.236 0.000 1.104 372 F CA 2.295 60.082 58.000 -0.355 0.000 1.232 372 F CB -0.263 38.470 39.000 -0.445 0.000 0.987 372 F HN 0.128 nan 8.300 nan 0.000 0.475 373 E N -0.923 119.259 120.200 -0.029 0.000 2.085 373 E HA -0.264 4.087 4.350 0.001 0.000 0.194 373 E C 2.186 178.814 176.600 0.046 0.000 0.994 373 E CA 1.610 57.981 56.400 -0.048 0.000 0.801 373 E CB -0.388 29.344 29.700 0.053 0.000 0.743 373 E HN 0.514 nan 8.360 nan 0.000 0.453 374 Y N -1.039 119.281 120.300 0.033 0.000 2.274 374 Y HA -0.193 4.357 4.550 0.001 0.000 0.290 374 Y C 2.005 177.975 175.900 0.117 0.000 1.145 374 Y CA 1.037 59.232 58.100 0.159 0.000 1.203 374 Y CB -0.866 37.638 38.460 0.074 0.000 0.984 374 Y HN 0.287 nan 8.280 nan 0.000 0.533 375 Y N -0.060 120.209 120.300 -0.053 0.000 2.314 375 Y HA -0.020 4.530 4.550 0.001 0.000 0.294 375 Y C 2.161 177.913 175.900 -0.246 0.000 1.119 375 Y CA 1.393 59.397 58.100 -0.161 0.000 1.179 375 Y CB 0.008 38.299 38.460 -0.281 0.000 1.025 375 Y HN -0.094 nan 8.280 nan 0.000 0.541 376 V N -3.709 115.910 119.914 -0.492 0.000 3.621 376 V HA 0.508 4.628 4.120 0.001 0.000 0.263 376 V C 1.600 177.444 176.094 -0.417 0.000 1.272 376 V CA 0.814 62.749 62.300 -0.608 0.000 1.080 376 V CB -0.067 31.112 31.823 -1.072 0.000 0.816 376 V HN 0.492 nan 8.190 nan 0.000 0.451 377 G N 1.017 109.642 108.800 -0.292 0.000 2.175 377 G HA2 -0.238 3.722 3.960 0.001 0.000 0.244 377 G HA3 -0.238 3.722 3.960 0.001 0.000 0.244 377 G C -0.155 174.840 174.900 0.158 0.000 0.982 377 G CA 0.344 45.444 45.100 -0.000 0.000 0.641 377 G HN 1.366 nan 8.290 nan 0.000 0.527 378 F N -0.139 119.847 119.950 0.059 0.000 2.629 378 F HA 0.805 5.333 4.527 0.001 0.000 0.316 378 F C 0.311 176.148 175.800 0.061 0.000 1.081 378 F CA -0.967 57.056 58.000 0.038 0.000 0.954 378 F CB 0.477 39.453 39.000 -0.039 0.000 1.337 378 F HN 0.343 nan 8.300 nan 0.000 0.474 379 T N 0.193 114.865 114.554 0.196 0.000 2.930 379 T HA 0.186 4.536 4.350 0.001 0.000 0.306 379 T C 0.701 175.408 174.700 0.011 0.000 1.045 379 T CA -0.479 61.629 62.100 0.012 0.000 1.134 379 T CB 1.237 69.944 68.868 -0.268 0.000 0.961 379 T HN 0.831 nan 8.240 nan 0.000 0.545 380 L N 1.074 122.151 121.223 -0.244 0.000 2.072 380 L HA 0.331 4.671 4.340 0.001 0.000 0.205 380 L C 0.310 176.724 176.870 -0.759 0.000 1.079 380 L CA 1.342 55.714 54.840 -0.780 0.000 0.752 380 L CB -0.454 40.806 42.059 -1.332 0.000 0.906 380 L HN 0.748 nan 8.230 nan 0.000 0.436 381 F N 0.326 120.157 119.950 -0.198 0.000 2.363 381 F HA 0.421 4.949 4.527 0.001 0.000 0.366 381 F C 0.119 175.838 175.800 -0.136 0.000 1.083 381 F CA -0.792 57.100 58.000 -0.178 0.000 1.176 381 F CB 0.365 39.225 39.000 -0.234 0.000 1.432 381 F HN -0.071 nan 8.300 nan 0.000 0.482 382 Q N 2.786 122.609 119.800 0.037 0.000 2.441 382 Q HA 0.461 4.801 4.340 0.001 0.000 0.234 382 Q C -0.302 175.696 176.000 -0.004 0.000 1.078 382 Q CA 0.187 56.008 55.803 0.030 0.000 0.907 382 Q CB 0.766 29.517 28.738 0.021 0.000 1.269 382 Q HN 0.600 nan 8.270 nan 0.000 0.502 383 T N 1.869 116.305 114.554 -0.196 0.000 2.786 383 T HA 0.350 4.701 4.350 0.001 0.000 0.316 383 T C -0.863 173.466 174.700 -0.618 0.000 1.503 383 T CA -0.501 61.443 62.100 -0.260 0.000 1.019 383 T CB 0.680 69.434 68.868 -0.189 0.000 1.415 383 T HN 0.667 nan 8.240 nan 0.000 0.496 384 H N 0.827 119.844 119.070 -0.089 0.000 3.230 384 H HA 0.294 4.850 4.556 0.001 0.000 0.259 384 H C -0.806 174.481 175.328 -0.067 0.000 1.195 384 H CA -0.271 55.714 56.048 -0.105 0.000 1.112 384 H CB 0.860 30.581 29.762 -0.068 0.000 1.638 384 H HN 0.577 nan 8.280 nan 0.000 0.624 385 D N -0.022 120.388 120.400 0.017 0.000 2.505 385 D HA 0.134 4.774 4.640 0.001 0.000 0.249 385 D C 0.939 177.219 176.300 -0.034 0.000 1.082 385 D CA -0.459 53.551 54.000 0.017 0.000 0.839 385 D CB 1.263 42.089 40.800 0.043 0.000 1.317 385 D HN -0.257 nan 8.370 nan 0.000 0.497 386 N N 2.282 120.932 118.700 -0.084 0.000 2.036 386 N HA -0.204 4.536 4.740 0.001 0.000 0.195 386 N C 1.549 176.793 175.510 -0.443 0.000 1.037 386 N CA 1.212 54.100 53.050 -0.270 0.000 0.855 386 N CB -0.188 38.078 38.487 -0.369 0.000 1.033 386 N HN 0.525 nan 8.380 nan 0.000 0.423 387 R N 1.084 121.333 120.500 -0.419 0.000 2.081 387 R HA -0.056 4.285 4.340 0.001 0.000 0.235 387 R C 2.036 178.187 176.300 -0.249 0.000 1.131 387 R CA 1.503 57.395 56.100 -0.346 0.000 0.960 387 R CB -0.205 30.100 30.300 0.010 0.000 0.856 387 R HN 0.341 nan 8.270 nan 0.000 0.436 388 E N -0.804 119.328 120.200 -0.113 0.000 2.110 388 E HA -0.281 4.069 4.350 0.001 0.000 0.193 388 E C 1.770 178.250 176.600 -0.200 0.000 0.988 388 E CA 1.522 57.809 56.400 -0.188 0.000 0.804 388 E CB -0.159 29.562 29.700 0.035 0.000 0.745 388 E HN 0.631 nan 8.360 nan 0.000 0.458 389 H N -0.105 118.820 119.070 -0.243 0.000 2.321 389 H HA -0.087 4.469 4.556 0.001 0.000 0.300 389 H C 2.265 177.437 175.328 -0.259 0.000 1.087 389 H CA 1.316 57.228 56.048 -0.226 0.000 1.319 389 H CB 0.120 29.718 29.762 -0.273 0.000 1.379 389 H HN 0.163 nan 8.280 nan 0.000 0.501 390 L N 0.105 121.194 121.223 -0.223 0.000 2.046 390 L HA -0.149 4.191 4.340 0.001 0.000 0.208 390 L C 3.019 179.749 176.870 -0.234 0.000 1.077 390 L CA 0.814 55.508 54.840 -0.243 0.000 0.747 390 L CB -0.537 41.341 42.059 -0.303 0.000 0.896 390 L HN 0.386 nan 8.230 nan 0.000 0.432 391 A N -0.145 122.384 122.820 -0.485 0.000 1.917 391 A HA -0.281 4.039 4.320 0.001 0.000 0.219 391 A C 2.305 179.661 177.584 -0.379 0.000 1.182 391 A CA 2.110 53.671 52.037 -0.792 0.000 0.633 391 A CB -0.523 17.216 19.000 -2.101 0.000 0.819 391 A HN 0.366 nan 8.150 nan 0.000 0.448 392 M N -1.505 117.990 119.600 -0.176 0.000 2.132 392 M HA -0.103 4.378 4.480 0.001 0.000 0.263 392 M C 2.398 178.842 176.300 0.241 0.000 1.065 392 M CA 1.574 56.919 55.300 0.075 0.000 1.122 392 M CB -0.364 32.373 32.600 0.229 0.000 1.365 392 M HN 0.427 nan 8.290 nan 0.000 0.411 393 M N -0.366 119.415 119.600 0.301 0.000 2.149 393 M HA -0.237 4.244 4.480 0.001 0.000 0.261 393 M C 1.868 178.369 176.300 0.335 0.000 1.064 393 M CA 1.599 57.143 55.300 0.407 0.000 1.102 393 M CB -0.512 32.290 32.600 0.338 0.000 1.369 393 M HN 0.239 nan 8.290 nan 0.000 0.408 394 E N -0.324 120.000 120.200 0.207 0.000 2.107 394 E HA -0.191 4.159 4.350 0.001 0.000 0.191 394 E C 2.049 178.733 176.600 0.140 0.000 0.982 394 E CA 0.946 57.453 56.400 0.178 0.000 0.809 394 E CB -0.192 29.553 29.700 0.074 0.000 0.756 394 E HN 0.476 nan 8.360 nan 0.000 0.459 395 R N 0.927 121.485 120.500 0.098 0.000 2.073 395 R HA -0.049 4.291 4.340 0.001 0.000 0.229 395 R C 2.328 178.689 176.300 0.102 0.000 1.120 395 R CA 0.865 57.019 56.100 0.090 0.000 0.967 395 R CB -0.047 30.295 30.300 0.070 0.000 0.862 395 R HN 0.085 nan 8.270 nan 0.000 0.436 396 I N 0.188 120.828 120.570 0.116 0.000 2.286 396 I HA -0.209 3.962 4.170 0.001 0.000 0.245 396 I C 1.591 177.761 176.117 0.088 0.000 1.104 396 I CA 1.169 62.523 61.300 0.089 0.000 1.397 396 I CB 0.048 38.047 38.000 -0.002 0.000 1.072 396 I HN 0.216 nan 8.210 nan 0.000 0.417 397 L N -0.470 120.826 121.223 0.121 0.000 2.701 397 L HA 0.434 4.775 4.340 0.001 0.000 0.238 397 L C 0.881 177.857 176.870 0.177 0.000 1.106 397 L CA 0.051 54.948 54.840 0.094 0.000 0.898 397 L CB 0.196 42.242 42.059 -0.022 0.000 1.188 397 L HN 0.374 nan 8.230 nan 0.000 0.508 398 G N 0.517 109.445 108.800 0.214 0.000 2.655 398 G HA2 -0.127 3.834 3.960 0.001 0.000 0.680 398 G HA3 -0.127 3.834 3.960 0.001 0.000 0.680 398 G C -3.015 172.055 174.900 0.284 0.000 1.302 398 G CA -1.170 44.058 45.100 0.214 0.000 0.872 398 G HN -0.114 nan 8.290 nan 0.000 0.540 399 P HA 0.460 nan 4.420 nan 0.000 0.272 399 P C 0.227 177.427 177.300 -0.166 0.000 1.223 399 P CA -0.330 62.797 63.100 0.045 0.000 0.784 399 P CB 0.462 32.181 31.700 0.032 0.000 0.923 400 I N 3.844 124.173 120.570 -0.401 0.000 2.471 400 I HA 0.141 4.311 4.170 0.001 0.000 0.286 400 I C -1.809 174.067 176.117 -0.402 0.000 1.079 400 I CA -1.937 58.885 61.300 -0.798 0.000 1.398 400 I CB 0.107 37.768 38.000 -0.565 0.000 1.403 400 I HN 0.198 nan 8.210 nan 0.000 0.530 401 P HA -0.038 nan 4.420 nan 0.000 0.261 401 P C 0.724 177.924 177.300 -0.167 0.000 1.183 401 P CA 0.359 63.363 63.100 -0.159 0.000 0.761 401 P CB 0.784 32.436 31.700 -0.080 0.000 0.785 402 S N 3.857 119.480 115.700 -0.128 0.000 2.372 402 S HA -0.284 4.186 4.470 0.001 0.000 0.227 402 S C 1.960 176.469 174.600 -0.151 0.000 1.044 402 S CA 1.434 59.550 58.200 -0.141 0.000 1.050 402 S CB -0.441 62.702 63.200 -0.095 0.000 0.901 402 S HN 0.447 nan 8.310 nan 0.000 0.447 403 R N 0.030 120.465 120.500 -0.108 0.000 2.134 403 R HA -0.187 4.153 4.340 0.001 0.000 0.248 403 R C 2.413 178.641 176.300 -0.121 0.000 1.143 403 R CA 2.272 58.315 56.100 -0.094 0.000 0.957 403 R CB -0.498 29.766 30.300 -0.060 0.000 0.867 403 R HN 0.510 nan 8.270 nan 0.000 0.441 404 M N -0.008 119.510 119.600 -0.137 0.000 2.080 404 M HA -0.190 4.290 4.480 0.001 0.000 0.260 404 M C 2.309 178.465 176.300 -0.240 0.000 1.068 404 M CA 1.702 56.910 55.300 -0.152 0.000 1.109 404 M CB -0.303 32.211 32.600 -0.142 0.000 1.342 404 M HN 0.186 nan 8.290 nan 0.000 0.405 405 I N -0.432 119.912 120.570 -0.376 0.000 2.335 405 I HA -0.301 3.869 4.170 0.001 0.000 0.251 405 I C 2.444 178.306 176.117 -0.425 0.000 1.129 405 I CA 1.379 62.275 61.300 -0.673 0.000 1.402 405 I CB -0.490 37.013 38.000 -0.829 0.000 1.069 405 I HN 0.312 nan 8.210 nan 0.000 0.424 406 R N 0.944 121.294 120.500 -0.251 0.000 2.080 406 R HA -0.062 4.278 4.340 0.001 0.000 0.222 406 R C 2.693 178.928 176.300 -0.108 0.000 1.107 406 R CA 1.363 57.371 56.100 -0.153 0.000 0.980 406 R CB -0.358 29.873 30.300 -0.115 0.000 0.879 406 R HN 0.283 nan 8.270 nan 0.000 0.439 407 K N 0.806 121.145 120.400 -0.102 0.000 2.283 407 K HA -0.047 4.273 4.320 0.001 0.000 0.202 407 K C 1.169 177.736 176.600 -0.054 0.000 1.048 407 K CA 1.379 57.626 56.287 -0.068 0.000 0.948 407 K CB -0.781 31.683 32.500 -0.060 0.000 0.742 407 K HN 0.160 nan 8.250 nan 0.000 0.458 408 T N -0.647 113.868 114.554 -0.066 0.000 2.932 408 T HA 0.376 4.726 4.350 0.001 0.000 0.312 408 T C 1.684 176.388 174.700 0.006 0.000 1.071 408 T CA 0.589 62.680 62.100 -0.016 0.000 1.128 408 T CB 1.127 70.006 68.868 0.020 0.000 0.984 408 T HN 0.554 nan 8.240 nan 0.000 0.549 409 R N 2.917 123.432 120.500 0.024 0.000 2.173 409 R HA 0.182 4.522 4.340 0.001 0.000 0.208 409 R C 1.462 177.782 176.300 0.033 0.000 1.035 409 R CA 0.824 56.936 56.100 0.021 0.000 1.004 409 R CB -0.460 29.849 30.300 0.015 0.000 0.917 409 R HN 0.544 nan 8.270 nan 0.000 0.462 410 K N 1.792 122.237 120.400 0.074 0.000 2.715 410 K HA 0.027 4.347 4.320 0.001 0.000 0.248 410 K C 0.540 177.194 176.600 0.090 0.000 1.276 410 K CA -0.022 56.298 56.287 0.054 0.000 1.209 410 K CB 0.929 33.535 32.500 0.175 0.000 1.509 410 K HN 0.274 nan 8.250 nan 0.000 0.261 411 Q N 1.558 121.394 119.800 0.060 0.000 2.224 411 Q HA -0.149 4.191 4.340 0.001 0.000 0.203 411 Q C 1.521 177.578 176.000 0.095 0.000 0.970 411 Q CA 1.475 57.373 55.803 0.158 0.000 0.865 411 Q CB 0.104 28.890 28.738 0.080 0.000 0.922 411 Q HN 0.474 nan 8.270 nan 0.000 0.445 412 K N -1.238 119.069 120.400 -0.156 0.000 2.218 412 K HA -0.204 4.117 4.320 0.001 0.000 0.205 412 K C 0.736 177.175 176.600 -0.268 0.000 1.046 412 K CA 1.628 57.767 56.287 -0.247 0.000 0.933 412 K CB -0.528 31.751 32.500 -0.369 0.000 0.728 412 K HN 0.236 nan 8.250 nan 0.000 0.454 413 Y N 0.223 120.384 120.300 -0.231 0.000 2.471 413 Y HA 0.264 4.815 4.550 0.001 0.000 0.286 413 Y C -0.142 175.269 175.900 -0.816 0.000 1.188 413 Y CA -0.643 57.125 58.100 -0.555 0.000 1.286 413 Y CB -0.176 37.805 38.460 -0.798 0.000 1.072 413 Y HN -0.104 nan 8.280 nan 0.000 0.517 414 F N -1.183 118.876 119.950 0.182 0.000 2.565 414 F HA 0.455 4.982 4.527 0.000 0.000 0.313 414 F C -0.896 175.023 175.800 0.199 0.000 1.091 414 F CA -1.964 56.136 58.000 0.165 0.000 0.915 414 F CB 1.468 40.530 39.000 0.103 0.000 1.208 414 F HN -0.261 nan 8.300 nan 0.000 0.453 415 Y N 2.736 123.171 120.300 0.225 0.000 2.442 415 Y HA 0.522 5.072 4.550 0.000 0.000 0.344 415 Y C 0.569 176.540 175.900 0.117 0.000 0.976 415 Y CA -1.629 56.550 58.100 0.131 0.000 1.040 415 Y CB 1.228 39.741 38.460 0.089 0.000 1.228 415 Y HN 0.639 nan 8.280 nan 0.000 0.451 416 R N 3.786 124.044 120.500 -0.403 0.000 3.863 416 R HA -0.231 4.109 4.340 0.001 0.000 0.313 416 R C 1.008 177.237 176.300 -0.117 0.000 1.202 416 R CA 1.352 57.241 56.100 -0.353 0.000 0.852 416 R CB -1.864 28.151 30.300 -0.474 0.000 1.292 416 R HN 1.647 nan 8.270 nan 0.000 0.519 417 G N -2.806 105.976 108.800 -0.030 0.000 2.253 417 G HA2 -0.378 3.582 3.960 0.001 0.000 0.251 417 G HA3 -0.378 3.582 3.960 0.001 0.000 0.251 417 G C 0.243 175.143 174.900 -0.000 0.000 0.998 417 G CA 1.067 46.145 45.100 -0.037 0.000 0.621 417 G HN 0.903 nan 8.290 nan 0.000 0.524 418 R N -0.253 120.297 120.500 0.082 0.000 2.604 418 R HA 0.884 5.224 4.340 0.001 0.000 0.287 418 R C 0.411 176.906 176.300 0.324 0.000 0.970 418 R CA -0.257 55.932 56.100 0.148 0.000 0.946 418 R CB 0.775 31.137 30.300 0.103 0.000 1.127 418 R HN 1.438 nan 8.270 nan 0.000 0.473 419 L N 1.415 122.879 121.223 0.401 0.000 2.720 419 L HA -0.052 4.288 4.340 0.001 0.000 0.289 419 L C 0.177 177.219 176.870 0.287 0.000 1.232 419 L CA 0.681 55.751 54.840 0.383 0.000 0.915 419 L CB 0.436 42.637 42.059 0.236 0.000 1.184 419 L HN 0.835 nan 8.230 nan 0.000 0.491 420 D N 6.405 126.934 120.400 0.214 0.000 2.551 420 D HA 0.088 4.729 4.640 0.001 0.000 0.223 420 D C -1.021 175.433 176.300 0.256 0.000 1.144 420 D CA 0.068 54.198 54.000 0.216 0.000 1.025 420 D CB -0.188 40.705 40.800 0.155 0.000 1.085 420 D HN 0.467 nan 8.370 nan 0.000 0.506 421 W N 2.527 123.856 121.300 0.048 0.000 2.864 421 W HA 0.369 5.029 4.660 0.001 0.000 0.343 421 W C -1.420 175.126 176.519 0.045 0.000 1.109 421 W CA -0.864 56.502 57.345 0.035 0.000 1.192 421 W CB 2.082 31.566 29.460 0.041 0.000 1.426 421 W HN 0.044 nan 8.180 nan 0.000 0.529 422 D N 2.950 123.035 120.400 -0.525 0.000 2.440 422 D HA 0.132 4.773 4.640 0.001 0.000 0.252 422 D C 0.721 176.793 176.300 -0.380 0.000 1.180 422 D CA -0.052 53.761 54.000 -0.312 0.000 0.894 422 D CB 1.124 41.772 40.800 -0.254 0.000 1.111 422 D HN 0.504 nan 8.370 nan 0.000 0.544 423 E N 1.735 121.921 120.200 -0.023 0.000 2.233 423 E HA -0.218 4.133 4.350 0.001 0.000 0.199 423 E C 0.277 176.891 176.600 0.024 0.000 1.004 423 E CA 1.032 57.504 56.400 0.119 0.000 0.819 423 E CB 0.171 29.979 29.700 0.178 0.000 0.738 423 E HN 0.339 nan 8.360 nan 0.000 0.478 424 N N 0.210 118.887 118.700 -0.038 0.000 2.273 424 N HA 0.004 4.744 4.740 0.001 0.000 0.231 424 N C -0.277 175.194 175.510 -0.064 0.000 1.134 424 N CA 0.168 53.202 53.050 -0.027 0.000 0.856 424 N CB 0.753 39.234 38.487 -0.010 0.000 1.068 424 N HN 0.136 nan 8.380 nan 0.000 0.510 425 T N -4.131 110.347 114.554 -0.127 0.000 2.867 425 T HA 0.227 4.577 4.350 0.001 0.000 0.286 425 T C 1.488 176.143 174.700 -0.074 0.000 1.022 425 T CA -0.500 61.521 62.100 -0.131 0.000 0.933 425 T CB 1.003 69.734 68.868 -0.228 0.000 1.280 425 T HN -0.095 nan 8.240 nan 0.000 0.566 426 S N -0.185 115.478 115.700 -0.062 0.000 2.355 426 S HA -0.060 4.410 4.470 0.001 0.000 0.222 426 S C 2.344 176.963 174.600 0.031 0.000 1.031 426 S CA 1.346 59.541 58.200 -0.007 0.000 0.993 426 S CB -1.320 61.873 63.200 -0.013 0.000 0.859 426 S HN 0.866 nan 8.310 nan 0.000 0.453 427 A N 0.941 123.737 122.820 -0.040 0.000 1.865 427 A HA 0.091 4.412 4.320 0.001 0.000 0.217 427 A C 2.396 180.106 177.584 0.209 0.000 1.191 427 A CA 1.902 53.959 52.037 0.034 0.000 0.623 427 A CB -1.741 17.179 19.000 -0.133 0.000 0.826 427 A HN 0.645 nan 8.150 nan 0.000 0.444 428 G N -0.934 107.843 108.800 -0.038 0.000 2.432 428 G HA2 -0.248 3.712 3.960 0.001 0.000 0.219 428 G HA3 -0.248 3.712 3.960 0.001 0.000 0.219 428 G C 1.706 176.784 174.900 0.296 0.000 1.135 428 G CA 1.031 46.288 45.100 0.262 0.000 0.767 428 G HN 0.567 nan 8.290 nan 0.000 0.550 429 R N -1.073 119.525 120.500 0.164 0.000 2.148 429 R HA -0.055 4.285 4.340 0.001 0.000 0.227 429 R C 2.097 178.497 176.300 0.167 0.000 1.103 429 R CA 0.922 57.104 56.100 0.137 0.000 0.983 429 R CB -0.365 29.986 30.300 0.086 0.000 0.874 429 R HN 0.482 nan 8.270 nan 0.000 0.451 430 Y N 0.315 120.685 120.300 0.117 0.000 2.133 430 Y HA -0.181 4.369 4.550 0.000 0.000 0.287 430 Y C 1.927 177.905 175.900 0.130 0.000 1.134 430 Y CA 1.692 59.858 58.100 0.111 0.000 1.133 430 Y CB -0.248 38.282 38.460 0.116 0.000 0.987 430 Y HN -0.173 nan 8.280 nan 0.000 0.502 431 V N 1.114 121.229 119.914 0.334 0.000 2.332 431 V HA -0.341 3.780 4.120 0.001 0.000 0.248 431 V C 2.528 178.664 176.094 0.069 0.000 1.055 431 V CA 2.358 64.778 62.300 0.201 0.000 1.038 431 V CB -0.775 31.219 31.823 0.286 0.000 0.651 431 V HN 0.350 nan 8.190 nan 0.000 0.450 432 R N -0.200 120.365 120.500 0.109 0.000 2.081 432 R HA -0.166 4.174 4.340 0.001 0.000 0.235 432 R C 2.236 178.533 176.300 -0.005 0.000 1.131 432 R CA 1.757 57.897 56.100 0.066 0.000 0.960 432 R CB -0.114 30.241 30.300 0.092 0.000 0.856 432 R HN 0.630 nan 8.270 nan 0.000 0.436 433 E N -0.898 119.268 120.200 -0.056 0.000 2.435 433 E HA -0.057 4.294 4.350 0.001 0.000 0.195 433 E C 0.475 176.974 176.600 -0.169 0.000 1.029 433 E CA 0.591 56.929 56.400 -0.102 0.000 0.865 433 E CB 0.222 29.862 29.700 -0.100 0.000 0.833 433 E HN 0.379 nan 8.360 nan 0.000 0.510 434 N N -0.596 117.964 118.700 -0.233 0.000 2.177 434 N HA 0.099 4.839 4.740 0.001 0.000 0.218 434 N C -0.878 174.585 175.510 -0.080 0.000 1.182 434 N CA -0.168 52.732 53.050 -0.249 0.000 0.882 434 N CB 0.922 39.088 38.487 -0.535 0.000 1.052 434 N HN 0.129 nan 8.380 nan 0.000 0.519 435 C N -0.816 118.481 119.300 -0.005 0.000 3.312 435 C HA 0.696 5.156 4.460 0.001 0.000 0.332 435 C C -1.623 173.416 174.990 0.083 0.000 1.340 435 C CA -1.452 57.638 59.018 0.120 0.000 1.265 435 C CB 1.514 29.317 27.740 0.104 0.000 1.563 435 C HN 0.240 nan 8.230 nan 0.000 0.471 436 K N -0.797 119.670 120.400 0.112 0.000 2.522 436 K HA 0.766 5.086 4.320 0.001 0.000 0.275 436 K C -3.398 173.229 176.600 0.045 0.000 1.006 436 K CA -1.416 54.865 56.287 -0.010 0.000 0.890 436 K CB 0.980 33.382 32.500 -0.163 0.000 1.475 436 K HN 0.374 nan 8.250 nan 0.000 0.441 437 P HA -0.048 nan 4.420 nan 0.000 0.267 437 P C 0.761 178.127 177.300 0.110 0.000 1.200 437 P CA -0.362 62.776 63.100 0.064 0.000 0.772 437 P CB 0.391 32.113 31.700 0.037 0.000 0.855 438 L N 4.315 125.647 121.223 0.182 0.000 1.997 438 L HA -0.226 4.114 4.340 0.001 0.000 0.216 438 L C 2.046 179.153 176.870 0.394 0.000 1.074 438 L CA 1.988 57.039 54.840 0.350 0.000 0.763 438 L CB -0.593 41.600 42.059 0.224 0.000 0.890 438 L HN 0.312 nan 8.230 nan 0.000 0.434 439 R N -0.865 119.714 120.500 0.131 0.000 2.328 439 R HA -0.069 4.272 4.340 0.001 0.000 0.207 439 R C 1.953 178.105 176.300 -0.248 0.000 1.056 439 R CA 0.553 56.561 56.100 -0.154 0.000 1.016 439 R CB -0.297 29.958 30.300 -0.075 0.000 0.872 439 R HN 0.439 nan 8.270 nan 0.000 0.471 440 R N -0.551 119.863 120.500 -0.143 0.000 2.299 440 R HA -0.029 4.312 4.340 0.001 0.000 0.197 440 R C 0.663 176.795 176.300 -0.280 0.000 0.971 440 R CA 0.607 56.567 56.100 -0.232 0.000 1.030 440 R CB 0.171 30.313 30.300 -0.264 0.000 0.932 440 R HN 0.260 nan 8.270 nan 0.000 0.477 441 Y N 0.416 120.732 120.300 0.027 0.000 2.490 441 Y HA 0.095 4.646 4.550 0.001 0.000 0.281 441 Y C 0.575 176.518 175.900 0.072 0.000 1.174 441 Y CA -0.171 58.020 58.100 0.152 0.000 1.295 441 Y CB 0.052 38.775 38.460 0.439 0.000 1.062 441 Y HN -0.077 nan 8.280 nan 0.000 0.522 442 L N 0.603 121.727 121.223 -0.165 0.000 2.584 442 L HA -0.099 4.242 4.340 0.001 0.000 0.272 442 L C 1.449 178.357 176.870 0.063 0.000 1.195 442 L CA 0.377 55.133 54.840 -0.140 0.000 0.920 442 L CB 0.499 42.292 42.059 -0.443 0.000 1.173 442 L HN 0.173 nan 8.230 nan 0.000 0.489 443 T N 0.468 115.171 114.554 0.247 0.000 2.904 443 T HA -0.076 4.275 4.350 0.001 0.000 0.267 443 T C 0.804 175.474 174.700 -0.050 0.000 1.059 443 T CA 1.183 63.332 62.100 0.080 0.000 1.137 443 T CB 0.087 68.997 68.868 0.070 0.000 0.879 443 T HN 0.652 nan 8.240 nan 0.000 0.467 444 S N -0.716 114.882 115.700 -0.170 0.000 2.704 444 S HA 0.406 4.876 4.470 0.001 0.000 0.296 444 S C -0.306 174.114 174.600 -0.300 0.000 1.138 444 S CA -0.704 57.273 58.200 -0.371 0.000 0.875 444 S CB 1.614 64.290 63.200 -0.874 0.000 1.151 444 S HN -0.081 nan 8.310 nan 0.000 0.500 445 E N 0.643 120.730 120.200 -0.188 0.000 2.489 445 E HA 0.361 4.712 4.350 0.001 0.000 0.204 445 E C 0.626 177.278 176.600 0.085 0.000 1.006 445 E CA 0.100 56.484 56.400 -0.027 0.000 0.936 445 E CB 0.575 30.299 29.700 0.040 0.000 1.002 445 E HN 0.660 nan 8.360 nan 0.000 0.488 446 A N 1.455 124.265 122.820 -0.017 0.000 2.507 446 A HA -0.026 4.294 4.320 0.001 0.000 0.235 446 A C 1.378 179.100 177.584 0.231 0.000 1.070 446 A CA -0.030 52.061 52.037 0.090 0.000 0.768 446 A CB 0.463 19.502 19.000 0.064 0.000 1.011 446 A HN -0.069 nan 8.150 nan 0.000 0.502 447 E N 0.701 121.026 120.200 0.209 0.000 2.085 447 E HA -0.231 4.119 4.350 0.001 0.000 0.194 447 E C 1.973 178.732 176.600 0.265 0.000 0.994 447 E CA 1.796 58.333 56.400 0.229 0.000 0.801 447 E CB -0.172 29.609 29.700 0.135 0.000 0.743 447 E HN 0.943 nan 8.360 nan 0.000 0.453 448 E N -0.328 120.026 120.200 0.258 0.000 2.160 448 E HA -0.219 4.132 4.350 0.001 0.000 0.195 448 E C 1.868 178.662 176.600 0.322 0.000 0.991 448 E CA 1.193 57.767 56.400 0.291 0.000 0.810 448 E CB -0.465 29.384 29.700 0.248 0.000 0.742 448 E HN 0.468 nan 8.360 nan 0.000 0.466 449 H N -0.045 119.115 119.070 0.149 0.000 2.333 449 H HA -0.050 4.506 4.556 0.001 0.000 0.302 449 H C 2.139 177.461 175.328 -0.010 0.000 1.075 449 H CA 1.464 57.539 56.048 0.045 0.000 1.348 449 H CB -0.071 29.685 29.762 -0.011 0.000 1.393 449 H HN 0.358 nan 8.280 nan 0.000 0.509 450 H N 1.170 120.345 119.070 0.175 0.000 2.387 450 H HA -0.099 4.458 4.556 0.001 0.000 0.299 450 H C 2.197 177.581 175.328 0.094 0.000 1.090 450 H CA 1.031 57.140 56.048 0.101 0.000 1.332 450 H CB 0.183 29.986 29.762 0.068 0.000 1.386 450 H HN 0.542 nan 8.280 nan 0.000 0.516 451 Q N 0.058 119.994 119.800 0.227 0.000 2.050 451 Q HA -0.142 4.198 4.340 0.001 0.000 0.202 451 Q C 2.496 178.446 176.000 -0.083 0.000 0.980 451 Q CA 1.052 56.973 55.803 0.197 0.000 0.840 451 Q CB -0.264 28.666 28.738 0.319 0.000 0.898 451 Q HN 0.208 nan 8.270 nan 0.000 0.424 452 L N 0.247 121.187 121.223 -0.471 0.000 2.021 452 L HA -0.201 4.139 4.340 0.001 0.000 0.215 452 L C 1.929 178.385 176.870 -0.690 0.000 1.074 452 L CA 1.842 55.977 54.840 -1.175 0.000 0.760 452 L CB -0.658 40.701 42.059 -1.168 0.000 0.889 452 L HN 0.110 nan 8.230 nan 0.000 0.433 453 F N -0.297 119.400 119.950 -0.423 0.000 2.407 453 F HA -0.133 4.394 4.527 0.001 0.000 0.299 453 F C 2.160 177.864 175.800 -0.161 0.000 1.097 453 F CA 0.998 58.838 58.000 -0.267 0.000 1.422 453 F CB -0.299 38.599 39.000 -0.170 0.000 1.067 453 F HN 0.202 nan 8.300 nan 0.000 0.539 454 D N 0.145 120.574 120.400 0.048 0.000 2.097 454 D HA -0.171 4.469 4.640 0.001 0.000 0.195 454 D C 2.263 178.545 176.300 -0.030 0.000 0.989 454 D CA 0.928 54.978 54.000 0.083 0.000 0.827 454 D CB -0.724 40.204 40.800 0.213 0.000 0.966 454 D HN 0.148 nan 8.370 nan 0.000 0.456 455 L N 1.140 122.180 121.223 -0.305 0.000 1.971 455 L HA -0.174 4.166 4.340 0.001 0.000 0.215 455 L C 2.264 178.926 176.870 -0.346 0.000 1.072 455 L CA 1.495 55.999 54.840 -0.560 0.000 0.758 455 L CB -0.716 40.789 42.059 -0.923 0.000 0.889 455 L HN 0.019 nan 8.230 nan 0.000 0.433 456 I N -0.665 119.654 120.570 -0.419 0.000 2.118 456 I HA -0.357 3.814 4.170 0.001 0.000 0.241 456 I C 2.546 178.496 176.117 -0.279 0.000 1.070 456 I CA 1.829 62.894 61.300 -0.391 0.000 1.327 456 I CB -0.422 37.246 38.000 -0.554 0.000 1.034 456 I HN 0.419 nan 8.210 nan 0.000 0.405 457 E N 0.403 120.491 120.200 -0.186 0.000 2.118 457 E HA -0.207 4.143 4.350 0.001 0.000 0.195 457 E C 2.244 178.788 176.600 -0.092 0.000 0.992 457 E CA 1.666 58.003 56.400 -0.104 0.000 0.804 457 E CB 0.099 29.796 29.700 -0.005 0.000 0.741 457 E HN 0.432 nan 8.360 nan 0.000 0.458 458 S N 0.085 115.746 115.700 -0.066 0.000 2.387 458 S HA -0.071 4.399 4.470 0.001 0.000 0.226 458 S C 1.865 176.444 174.600 -0.034 0.000 1.026 458 S CA 0.780 58.971 58.200 -0.015 0.000 0.972 458 S CB -0.051 63.173 63.200 0.040 0.000 0.814 458 S HN 0.257 nan 8.310 nan 0.000 0.477 459 M N 0.887 120.430 119.600 -0.095 0.000 2.296 459 M HA 0.060 4.540 4.480 0.001 0.000 0.265 459 M C 0.586 176.784 176.300 -0.169 0.000 1.064 459 M CA 1.122 56.363 55.300 -0.099 0.000 1.109 459 M CB -0.366 32.146 32.600 -0.146 0.000 1.396 459 M HN 0.185 nan 8.290 nan 0.000 0.430 460 L N 0.597 121.628 121.223 -0.320 0.000 2.928 460 L HA 0.156 4.497 4.340 0.001 0.000 0.236 460 L C 0.250 177.012 176.870 -0.179 0.000 1.290 460 L CA -0.519 53.982 54.840 -0.566 0.000 1.099 460 L CB -0.706 40.861 42.059 -0.819 0.000 1.437 460 L HN 0.059 nan 8.230 nan 0.000 0.493 461 E N -0.183 120.027 120.200 0.017 0.000 2.324 461 E HA -0.040 4.310 4.350 0.001 0.000 0.271 461 E C 0.579 177.318 176.600 0.231 0.000 1.028 461 E CA 0.102 56.557 56.400 0.093 0.000 0.890 461 E CB 0.540 30.301 29.700 0.103 0.000 1.004 461 E HN 0.144 nan 8.360 nan 0.000 0.431 462 Y N 2.640 123.083 120.300 0.239 0.000 2.114 462 Y HA -0.143 4.408 4.550 0.001 0.000 0.282 462 Y C 0.955 176.898 175.900 0.072 0.000 1.165 462 Y CA 1.834 60.032 58.100 0.163 0.000 1.148 462 Y CB -0.240 38.274 38.460 0.089 0.000 0.972 462 Y HN 0.543 nan 8.280 nan 0.000 0.504 463 E N 0.748 121.089 120.200 0.235 0.000 2.180 463 E HA 0.080 4.431 4.350 0.001 0.000 0.283 463 E C -1.946 174.718 176.600 0.106 0.000 1.061 463 E CA -1.959 54.518 56.400 0.128 0.000 0.861 463 E CB 1.024 30.783 29.700 0.098 0.000 1.056 463 E HN -0.004 nan 8.360 nan 0.000 0.407 464 P HA -0.206 nan 4.420 nan 0.000 0.215 464 P C 0.658 177.996 177.300 0.063 0.000 1.153 464 P CA 1.667 64.812 63.100 0.075 0.000 0.853 464 P CB 0.190 31.923 31.700 0.056 0.000 0.788 465 A N -0.238 122.610 122.820 0.047 0.000 1.972 465 A HA -0.193 4.127 4.320 0.001 0.000 0.219 465 A C 2.010 179.621 177.584 0.045 0.000 1.169 465 A CA 1.603 53.662 52.037 0.037 0.000 0.635 465 A CB -0.934 18.081 19.000 0.025 0.000 0.810 465 A HN 0.188 nan 8.150 nan 0.000 0.446 466 K N -0.863 119.572 120.400 0.058 0.000 2.361 466 K HA 0.048 4.369 4.320 0.001 0.000 0.196 466 K C 1.051 177.695 176.600 0.074 0.000 1.039 466 K CA -0.190 56.135 56.287 0.064 0.000 1.001 466 K CB 0.101 32.643 32.500 0.071 0.000 0.795 466 K HN 0.381 nan 8.250 nan 0.000 0.495 467 R N 1.739 122.290 120.500 0.085 0.000 2.679 467 R HA 0.005 4.345 4.340 0.001 0.000 0.268 467 R C -0.273 176.074 176.300 0.079 0.000 1.044 467 R CA -0.299 55.858 56.100 0.094 0.000 1.105 467 R CB 0.253 30.628 30.300 0.124 0.000 0.989 467 R HN -0.055 nan 8.270 nan 0.000 0.447 468 L N 3.763 125.033 121.223 0.078 0.000 2.640 468 L HA -0.059 4.282 4.340 0.001 0.000 0.280 468 L C 0.323 177.242 176.870 0.083 0.000 1.229 468 L CA 1.109 55.999 54.840 0.083 0.000 0.919 468 L CB 0.574 42.684 42.059 0.084 0.000 1.168 468 L HN 0.817 nan 8.230 nan 0.000 0.496 469 T N 1.934 116.536 114.554 0.080 0.000 2.849 469 T HA 0.264 4.614 4.350 0.001 0.000 0.284 469 T C 1.365 176.127 174.700 0.104 0.000 1.004 469 T CA -0.708 61.438 62.100 0.076 0.000 1.021 469 T CB 0.639 69.542 68.868 0.058 0.000 1.013 469 T HN 0.557 nan 8.240 nan 0.000 0.527 470 L N 1.017 122.314 121.223 0.123 0.000 2.313 470 L HA 0.147 4.487 4.340 0.001 0.000 0.214 470 L C 2.881 179.806 176.870 0.092 0.000 1.119 470 L CA 1.092 56.005 54.840 0.120 0.000 0.809 470 L CB -0.972 41.179 42.059 0.153 0.000 0.933 470 L HN 1.032 nan 8.230 nan 0.000 0.449 471 G N 0.093 108.948 108.800 0.091 0.000 2.421 471 G HA2 -0.250 3.710 3.960 0.001 0.000 0.216 471 G HA3 -0.250 3.710 3.960 0.001 0.000 0.216 471 G C 1.375 176.337 174.900 0.103 0.000 1.171 471 G CA 0.542 45.690 45.100 0.080 0.000 0.775 471 G HN 0.375 nan 8.290 nan 0.000 0.543 472 E N 0.586 120.853 120.200 0.113 0.000 2.085 472 E HA -0.069 4.281 4.350 0.001 0.000 0.194 472 E C 2.933 179.656 176.600 0.205 0.000 0.994 472 E CA 0.847 57.331 56.400 0.140 0.000 0.801 472 E CB -0.242 29.533 29.700 0.125 0.000 0.743 472 E HN 0.395 nan 8.360 nan 0.000 0.453 473 A N 1.246 124.189 122.820 0.204 0.000 1.892 473 A HA -0.210 4.110 4.320 0.001 0.000 0.218 473 A C 2.199 180.019 177.584 0.393 0.000 1.188 473 A CA 1.348 53.561 52.037 0.293 0.000 0.631 473 A CB -0.790 18.338 19.000 0.214 0.000 0.822 473 A HN 0.174 nan 8.150 nan 0.000 0.447 474 L N -0.807 120.538 121.223 0.203 0.000 2.191 474 L HA -0.171 4.170 4.340 0.001 0.000 0.212 474 L C 2.267 179.337 176.870 0.334 0.000 1.103 474 L CA 0.805 55.749 54.840 0.173 0.000 0.769 474 L CB -0.369 41.702 42.059 0.020 0.000 0.908 474 L HN 0.377 nan 8.230 nan 0.000 0.438 475 Q N -1.345 118.627 119.800 0.287 0.000 2.444 475 Q HA 0.016 4.356 4.340 0.001 0.000 0.206 475 Q C 0.600 176.769 176.000 0.281 0.000 0.948 475 Q CA 0.293 56.242 55.803 0.244 0.000 0.946 475 Q CB -0.315 28.517 28.738 0.157 0.000 1.027 475 Q HN 0.420 nan 8.270 nan 0.000 0.513 476 H N 1.712 120.971 119.070 0.315 0.000 2.815 476 H HA 0.001 4.557 4.556 0.001 0.000 0.350 476 H C -1.535 173.907 175.328 0.191 0.000 1.080 476 H CA -1.326 54.868 56.048 0.243 0.000 1.433 476 H CB 1.335 31.252 29.762 0.257 0.000 1.432 476 H HN -0.157 nan 8.280 nan 0.000 0.592 477 P HA -0.222 nan 4.420 nan 0.000 0.217 477 P C 1.431 178.838 177.300 0.178 0.000 1.148 477 P CA 1.161 64.274 63.100 0.022 0.000 0.834 477 P CB -0.204 31.431 31.700 -0.109 0.000 0.783 478 F N -0.785 119.286 119.950 0.201 0.000 2.216 478 F HA -0.129 4.399 4.527 0.001 0.000 0.300 478 F C 1.513 177.172 175.800 -0.234 0.000 1.085 478 F CA 1.313 59.250 58.000 -0.104 0.000 1.326 478 F CB -0.660 38.108 39.000 -0.387 0.000 1.027 478 F HN -0.196 nan 8.300 nan 0.000 0.497 479 F N -0.087 119.877 119.950 0.024 0.000 2.732 479 F HA 0.354 4.882 4.527 0.001 0.000 0.303 479 F C 2.114 177.789 175.800 -0.207 0.000 1.110 479 F CA 0.141 58.019 58.000 -0.202 0.000 1.355 479 F CB -1.481 37.506 39.000 -0.022 0.000 1.081 479 F HN 0.046 nan 8.300 nan 0.000 0.565 480 A N 1.766 124.598 122.820 0.020 0.000 1.894 480 A HA -0.297 4.024 4.320 0.001 0.000 0.220 480 A C 2.268 179.818 177.584 -0.057 0.000 1.237 480 A CA 2.241 54.277 52.037 -0.001 0.000 0.660 480 A CB -0.909 18.087 19.000 -0.006 0.000 0.835 480 A HN 0.522 nan 8.150 nan 0.000 0.461 481 R N -0.171 120.267 120.500 -0.104 0.000 2.526 481 R HA 0.260 4.601 4.340 0.001 0.000 0.223 481 R C 0.563 176.768 176.300 -0.157 0.000 1.250 481 R CA 0.841 56.875 56.100 -0.110 0.000 1.227 481 R CB -0.462 29.774 30.300 -0.106 0.000 1.109 481 R HN 0.575 nan 8.270 nan 0.000 0.499 482 L N -0.995 120.099 121.223 -0.215 0.000 2.769 482 L HA 0.270 4.611 4.340 0.001 0.000 0.175 482 L C 1.671 178.448 176.870 -0.155 0.000 1.099 482 L CA 0.013 54.676 54.840 -0.295 0.000 0.876 482 L CB -1.021 40.581 42.059 -0.763 0.000 1.498 482 L HN 0.205 nan 8.230 nan 0.000 0.499 483 R N 0.000 120.427 120.500 -0.122 0.000 2.786 483 R HA 0.000 4.340 4.340 0.001 0.000 0.208 483 R CA 0.000 56.137 56.100 0.062 0.000 0.921 483 R CB 0.000 30.369 30.300 0.115 0.000 0.687 483 R HN 0.000 nan 8.270 nan 0.000 0.535