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 1i7w_1_C DATA FIRST_RESID 143 DATA SEQUENCE QDDAELATRA IPELTKLLND EDQVVVNKAA VMVHQLSKKE ASRHAIMRSP DATA SEQUENCE QMVSAIVRTM QNTNDVETAR CTAGTLHNLS HHREGLLAIF KSGGIPALVK DATA SEQUENCE MLGSPVDSVL FYAITTLHNL LLHQEGAKMA VRLAGGLQKM VALLNKTNVK DATA SEQUENCE FLAITTDCLQ ILAYGNQESK LIILASGGPQ ALVNIMRTYT YEKLLWTTSR DATA SEQUENCE VLKVLSVCSS NKPAIVEAGG MQALGLHLTD PSQRLVQNCL WTLRNLSDAA DATA SEQUENCE TKQEGMEGLL GTLVQLLGSD DINVVTCAAG ILSNLTCNNY KNKMMVCQVG DATA SEQUENCE GIEALVRTVL RAGDREDITE PAICALRHLT SRHQEAEMAQ NAVRLHYGLP DATA SEQUENCE VVVKLLHPPS HWPLIKATVG LIRNLALCPA NHAPLREQGA IPRLVQLLVR DATA SEQUENCE AHQDTQRRTX XXXXXXXXXX XVRMEEIVEG CTGALHILAR DVHNRIVIRG DATA SEQUENCE LNTIPLFVQL LYSPIENIQR VAAGVLCELA QDKEAAEAIE AEGATAPLTE DATA SEQUENCE LLHSRNEGVA TYAAAVLFRM S 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 143 Q HA 0.000 nan 4.340 nan 0.000 0.214 143 Q C 0.000 176.000 176.000 0.001 0.000 1.003 143 Q CA 0.000 55.804 55.803 0.001 0.000 1.022 143 Q CB 0.000 28.739 28.738 0.002 0.000 1.108 144 D N 0.104 120.503 120.400 -0.002 0.000 2.346 144 D HA 0.087 4.727 4.640 -0.000 0.000 0.206 144 D C 0.450 176.748 176.300 -0.003 0.000 1.001 144 D CA 0.951 54.950 54.000 -0.002 0.000 0.871 144 D CB 0.369 41.167 40.800 -0.002 0.000 0.943 144 D HN 0.335 nan 8.370 nan 0.000 0.518 145 D N 0.364 120.760 120.400 -0.007 0.000 2.137 145 D HA 0.025 4.665 4.640 -0.000 0.000 0.202 145 D C 2.057 178.352 176.300 -0.008 0.000 0.970 145 D CA 1.038 55.032 54.000 -0.011 0.000 0.837 145 D CB -0.161 40.627 40.800 -0.020 0.000 0.981 145 D HN 0.114 nan 8.370 nan 0.000 0.475 146 A N 0.890 123.707 122.820 -0.005 0.000 1.902 146 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 146 A C 2.273 179.862 177.584 0.008 0.000 1.181 146 A CA 2.482 54.523 52.037 0.006 0.000 0.623 146 A CB -1.249 17.762 19.000 0.018 0.000 0.818 146 A HN 0.284 nan 8.150 nan 0.000 0.443 147 E N -0.492 119.711 120.200 0.006 0.000 2.085 147 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 147 E C 1.975 178.577 176.600 0.004 0.000 0.994 147 E CA 1.646 58.050 56.400 0.005 0.000 0.801 147 E CB -0.889 28.813 29.700 0.004 0.000 0.743 147 E HN 0.584 nan 8.360 nan 0.000 0.453 148 L N 0.320 121.544 121.223 0.002 0.000 2.093 148 L HA 0.185 4.525 4.340 -0.000 0.000 0.208 148 L C 2.781 179.654 176.870 0.004 0.000 1.085 148 L CA 2.093 56.935 54.840 0.002 0.000 0.755 148 L CB -0.679 41.379 42.059 -0.000 0.000 0.904 148 L HN 0.344 nan 8.230 nan 0.000 0.435 149 A N -1.096 121.726 122.820 0.004 0.000 1.940 149 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 149 A C 2.372 179.963 177.584 0.011 0.000 1.176 149 A CA 2.280 54.321 52.037 0.007 0.000 0.631 149 A CB -1.372 17.632 19.000 0.006 0.000 0.814 149 A HN 0.630 nan 8.150 nan 0.000 0.446 150 T N -0.622 113.939 114.554 0.011 0.000 2.833 150 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 150 T C 1.743 176.448 174.700 0.009 0.000 1.054 150 T CA 1.513 63.620 62.100 0.012 0.000 1.135 150 T CB -0.399 68.476 68.868 0.010 0.000 0.869 150 T HN 0.753 nan 8.240 nan 0.000 0.466 151 R N 0.500 121.005 120.500 0.008 0.000 2.312 151 R HA 0.632 4.972 4.340 -0.000 0.000 0.205 151 R C 2.400 178.705 176.300 0.007 0.000 0.904 151 R CA 0.511 56.615 56.100 0.007 0.000 1.052 151 R CB -0.265 30.038 30.300 0.005 0.000 1.014 151 R HN 0.373 nan 8.270 nan 0.000 0.503 152 A N 1.735 124.560 122.820 0.008 0.000 1.935 152 A HA 0.082 4.402 4.320 -0.000 0.000 0.214 152 A C 2.024 179.614 177.584 0.011 0.000 1.178 152 A CA 0.492 52.535 52.037 0.009 0.000 0.640 152 A CB -0.137 18.868 19.000 0.008 0.000 0.825 152 A HN 0.154 nan 8.150 nan 0.000 0.447 153 I N 0.382 120.960 120.570 0.013 0.000 2.142 153 I HA -0.135 4.035 4.170 -0.000 0.000 0.240 153 I C -0.493 175.632 176.117 0.013 0.000 1.078 153 I CA 1.442 62.751 61.300 0.015 0.000 1.343 153 I CB -2.308 35.703 38.000 0.018 0.000 1.046 153 I HN 0.146 nan 8.210 nan 0.000 0.405 154 P HA -0.159 nan 4.420 nan 0.000 0.216 154 P C 1.610 178.915 177.300 0.008 0.000 1.150 154 P CA 1.278 64.383 63.100 0.009 0.000 0.837 154 P CB 0.122 31.826 31.700 0.008 0.000 0.786 155 E N -0.229 119.976 120.200 0.009 0.000 2.047 155 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 155 E C 1.822 178.427 176.600 0.009 0.000 0.987 155 E CA 1.166 57.571 56.400 0.008 0.000 0.799 155 E CB -1.151 28.553 29.700 0.008 0.000 0.752 155 E HN 0.124 nan 8.360 nan 0.000 0.449 156 L N -0.149 121.080 121.223 0.011 0.000 2.217 156 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 156 L C 2.277 179.154 176.870 0.012 0.000 1.107 156 L CA 1.257 56.104 54.840 0.013 0.000 0.783 156 L CB -0.326 41.743 42.059 0.017 0.000 0.919 156 L HN 0.156 nan 8.230 nan 0.000 0.442 157 T N -0.355 114.206 114.554 0.011 0.000 2.708 157 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 157 T C 1.892 176.596 174.700 0.007 0.000 1.037 157 T CA 1.210 63.315 62.100 0.010 0.000 1.146 157 T CB -0.041 68.832 68.868 0.009 0.000 0.865 157 T HN 0.297 nan 8.240 nan 0.000 0.435 158 K N 0.868 121.272 120.400 0.007 0.000 2.063 158 K HA -0.012 4.308 4.320 -0.000 0.000 0.208 158 K C 2.274 178.878 176.600 0.006 0.000 1.048 158 K CA 1.110 57.400 56.287 0.005 0.000 0.928 158 K CB -0.451 32.052 32.500 0.005 0.000 0.713 158 K HN 0.316 nan 8.250 nan 0.000 0.442 159 L N 0.899 122.126 121.223 0.007 0.000 2.083 159 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 159 L C 2.362 179.236 176.870 0.007 0.000 1.083 159 L CA 0.945 55.789 54.840 0.007 0.000 0.752 159 L CB -0.458 41.607 42.059 0.009 0.000 0.899 159 L HN 0.167 nan 8.230 nan 0.000 0.433 160 L N -0.318 120.910 121.223 0.008 0.000 2.201 160 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 160 L C 1.962 178.835 176.870 0.004 0.000 1.105 160 L CA 0.864 55.708 54.840 0.006 0.000 0.775 160 L CB -0.416 41.648 42.059 0.007 0.000 0.913 160 L HN 0.370 nan 8.230 nan 0.000 0.440 161 N N -0.514 118.188 118.700 0.004 0.000 2.461 161 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 161 N C 0.369 175.880 175.510 0.002 0.000 1.134 161 N CA 0.210 53.262 53.050 0.002 0.000 0.878 161 N CB 0.037 38.525 38.487 0.002 0.000 0.972 161 N HN 0.346 nan 8.380 nan 0.000 0.456 162 D N 1.629 122.031 120.400 0.003 0.000 2.382 162 D HA -0.063 4.577 4.640 -0.000 0.000 0.240 162 D C 1.116 177.417 176.300 0.002 0.000 1.146 162 D CA 0.110 54.112 54.000 0.002 0.000 0.897 162 D CB 1.137 41.939 40.800 0.003 0.000 1.197 162 D HN 0.168 nan 8.370 nan 0.000 0.432 163 E N 1.874 122.075 120.200 0.001 0.000 2.442 163 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 163 E C 0.022 176.623 176.600 0.001 0.000 1.030 163 E CA 0.050 56.450 56.400 0.001 0.000 0.869 163 E CB -0.187 29.513 29.700 0.000 0.000 0.857 163 E HN 0.317 nan 8.360 nan 0.000 0.505 164 D N 1.471 121.872 120.400 0.002 0.000 2.365 164 D HA 0.018 4.658 4.640 -0.000 0.000 0.237 164 D C 0.814 177.115 176.300 0.002 0.000 1.190 164 D CA -0.224 53.777 54.000 0.002 0.000 0.867 164 D CB 0.913 41.714 40.800 0.003 0.000 1.050 164 D HN -0.270 nan 8.370 nan 0.000 0.491 165 Q N 2.617 122.418 119.800 0.002 0.000 2.248 165 Q HA -0.105 4.235 4.340 -0.000 0.000 0.208 165 Q C 1.906 177.908 176.000 0.003 0.000 0.984 165 Q CA 0.751 56.555 55.803 0.002 0.000 0.875 165 Q CB -0.280 28.458 28.738 0.001 0.000 0.910 165 Q HN 0.496 nan 8.270 nan 0.000 0.433 166 V N -0.097 119.819 119.914 0.004 0.000 2.343 166 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 166 V C 2.395 178.492 176.094 0.006 0.000 1.051 166 V CA 1.374 63.677 62.300 0.005 0.000 1.036 166 V CB -0.629 31.197 31.823 0.004 0.000 0.654 166 V HN 0.111 nan 8.190 nan 0.000 0.451 167 V N -0.341 119.577 119.914 0.006 0.000 2.307 167 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 167 V C 2.422 178.521 176.094 0.008 0.000 1.045 167 V CA 1.816 64.120 62.300 0.007 0.000 1.024 167 V CB -0.483 31.343 31.823 0.006 0.000 0.651 167 V HN 0.386 nan 8.190 nan 0.000 0.449 168 V N 0.927 120.844 119.914 0.006 0.000 2.231 168 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 168 V C 2.387 178.485 176.094 0.008 0.000 1.054 168 V CA 2.495 64.799 62.300 0.006 0.000 1.015 168 V CB -1.004 30.821 31.823 0.003 0.000 0.638 168 V HN 0.569 nan 8.190 nan 0.000 0.444 169 N N 0.299 119.003 118.700 0.007 0.000 2.094 169 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 169 N C 1.771 177.290 175.510 0.015 0.000 1.023 169 N CA 1.580 54.635 53.050 0.009 0.000 0.857 169 N CB -0.400 38.092 38.487 0.008 0.000 1.013 169 N HN 0.547 nan 8.380 nan 0.000 0.426 170 K N 0.412 120.821 120.400 0.015 0.000 2.097 170 K HA 0.085 4.405 4.320 -0.000 0.000 0.205 170 K C 2.039 178.652 176.600 0.022 0.000 1.050 170 K CA 1.062 57.360 56.287 0.019 0.000 0.938 170 K CB -0.066 32.443 32.500 0.015 0.000 0.718 170 K HN 0.152 nan 8.250 nan 0.000 0.442 171 A N 1.487 124.318 122.820 0.019 0.000 1.929 171 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 171 A C 2.371 179.971 177.584 0.028 0.000 1.176 171 A CA 1.537 53.587 52.037 0.021 0.000 0.628 171 A CB -0.621 18.388 19.000 0.016 0.000 0.816 171 A HN 0.295 nan 8.150 nan 0.000 0.444 172 A N -0.262 122.573 122.820 0.024 0.000 1.892 172 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 172 A C 2.239 179.856 177.584 0.056 0.000 1.188 172 A CA 2.043 54.095 52.037 0.026 0.000 0.631 172 A CB -1.081 17.924 19.000 0.008 0.000 0.822 172 A HN 0.412 nan 8.150 nan 0.000 0.447 173 V N -0.392 119.558 119.914 0.059 0.000 2.255 173 V HA -0.348 3.772 4.120 -0.000 0.000 0.247 173 V C 2.605 178.753 176.094 0.090 0.000 1.051 173 V CA 2.482 64.835 62.300 0.089 0.000 1.018 173 V CB -0.684 31.177 31.823 0.063 0.000 0.641 173 V HN 0.724 nan 8.190 nan 0.000 0.445 174 M N -0.461 119.173 119.600 0.057 0.000 2.117 174 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 174 M C 2.094 178.424 176.300 0.051 0.000 1.065 174 M CA 1.806 57.132 55.300 0.043 0.000 1.114 174 M CB -0.137 32.480 32.600 0.029 0.000 1.361 174 M HN 0.208 nan 8.290 nan 0.000 0.408 175 V N -0.256 119.695 119.914 0.062 0.000 2.343 175 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 175 V C 2.381 178.541 176.094 0.111 0.000 1.051 175 V CA 2.355 64.695 62.300 0.067 0.000 1.036 175 V CB -1.165 30.690 31.823 0.054 0.000 0.654 175 V HN 0.629 nan 8.190 nan 0.000 0.451 176 H N -0.385 118.688 119.070 0.005 0.000 2.319 176 H HA -0.256 4.300 4.556 -0.000 0.000 0.299 176 H C 2.489 177.826 175.328 0.015 0.000 1.092 176 H CA 2.088 58.138 56.048 0.002 0.000 1.302 176 H CB 0.202 29.964 29.762 0.001 0.000 1.373 176 H HN 0.482 nan 8.280 nan 0.000 0.497 177 Q N 0.488 120.271 119.800 -0.028 0.000 2.096 177 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 177 Q C 2.525 178.491 176.000 -0.056 0.000 0.982 177 Q CA 1.413 57.156 55.803 -0.100 0.000 0.850 177 Q CB 0.050 28.765 28.738 -0.039 0.000 0.901 177 Q HN 0.535 nan 8.270 nan 0.000 0.422 178 L N 0.479 121.697 121.223 -0.010 0.000 2.141 178 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 178 L C 2.542 179.412 176.870 0.001 0.000 1.094 178 L CA 1.185 56.023 54.840 -0.004 0.000 0.763 178 L CB -0.389 41.676 42.059 0.011 0.000 0.908 178 L HN 0.327 nan 8.230 nan 0.000 0.437 179 S N -0.763 114.952 115.700 0.024 0.000 2.547 179 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 179 S C 1.661 176.284 174.600 0.038 0.000 0.980 179 S CA 0.594 58.825 58.200 0.052 0.000 0.941 179 S CB -0.251 63.012 63.200 0.105 0.000 0.763 179 S HN 0.410 nan 8.310 nan 0.000 0.532 180 K N 0.826 121.218 120.400 -0.014 0.000 2.459 180 K HA 0.160 4.480 4.320 -0.000 0.000 0.193 180 K C 0.672 177.262 176.600 -0.018 0.000 1.030 180 K CA 0.793 57.068 56.287 -0.019 0.000 1.026 180 K CB 0.054 32.512 32.500 -0.070 0.000 0.809 180 K HN 0.523 nan 8.250 nan 0.000 0.504 181 K N 1.423 121.805 120.400 -0.029 0.000 2.270 181 K HA 0.152 4.472 4.320 -0.000 0.000 0.255 181 K C 0.423 176.965 176.600 -0.097 0.000 0.936 181 K CA -0.595 55.661 56.287 -0.052 0.000 0.809 181 K CB 1.407 33.877 32.500 -0.050 0.000 1.131 181 K HN 0.089 nan 8.250 nan 0.000 0.427 182 E N 1.516 121.626 120.200 -0.150 0.000 2.021 182 E HA -0.259 4.091 4.350 -0.000 0.000 0.200 182 E C 2.131 178.429 176.600 -0.503 0.000 1.015 182 E CA 2.281 58.468 56.400 -0.354 0.000 0.824 182 E CB -0.123 29.375 29.700 -0.337 0.000 0.762 182 E HN 0.816 nan 8.360 nan 0.000 0.454 183 A N 0.678 123.321 122.820 -0.295 0.000 1.884 183 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 183 A C 2.391 179.912 177.584 -0.104 0.000 1.197 183 A CA 3.154 55.085 52.037 -0.177 0.000 0.637 183 A CB -1.114 17.837 19.000 -0.081 0.000 0.827 183 A HN 0.515 nan 8.150 nan 0.000 0.450 184 S N -0.867 114.785 115.700 -0.079 0.000 2.428 184 S HA -0.104 4.366 4.470 -0.000 0.000 0.230 184 S C 1.959 176.552 174.600 -0.012 0.000 1.014 184 S CA 0.995 59.178 58.200 -0.028 0.000 0.957 184 S CB -0.381 62.807 63.200 -0.019 0.000 0.784 184 S HN 0.623 nan 8.310 nan 0.000 0.499 185 R N 0.784 121.254 120.500 -0.051 0.000 2.092 185 R HA -0.090 4.250 4.340 -0.000 0.000 0.231 185 R C 2.149 178.496 176.300 0.079 0.000 1.119 185 R CA 1.576 57.681 56.100 0.009 0.000 0.970 185 R CB -0.435 29.867 30.300 0.003 0.000 0.864 185 R HN 0.668 nan 8.270 nan 0.000 0.440 186 H N -0.934 118.103 119.070 -0.055 0.000 2.387 186 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 186 H C 1.994 177.303 175.328 -0.032 0.000 1.090 186 H CA 0.778 56.785 56.048 -0.069 0.000 1.332 186 H CB 0.124 29.835 29.762 -0.085 0.000 1.386 186 H HN 0.379 nan 8.280 nan 0.000 0.516 187 A N 0.926 123.812 122.820 0.110 0.000 1.969 187 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 187 A C 2.329 179.942 177.584 0.047 0.000 1.169 187 A CA 0.910 52.983 52.037 0.059 0.000 0.635 187 A CB -0.446 18.577 19.000 0.039 0.000 0.810 187 A HN 0.290 nan 8.150 nan 0.000 0.445 188 I N 0.037 120.639 120.570 0.054 0.000 2.193 188 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 188 I C 2.683 178.829 176.117 0.050 0.000 1.084 188 I CA 1.814 63.143 61.300 0.049 0.000 1.365 188 I CB -0.487 37.546 38.000 0.055 0.000 1.064 188 I HN 0.428 nan 8.210 nan 0.000 0.410 189 M N -0.016 119.622 119.600 0.063 0.000 2.460 189 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 189 M C 1.765 178.084 176.300 0.032 0.000 1.071 189 M CA 1.556 56.889 55.300 0.055 0.000 1.096 189 M CB -0.725 31.918 32.600 0.072 0.000 1.408 189 M HN 0.079 nan 8.290 nan 0.000 0.463 190 R N 0.658 121.173 120.500 0.024 0.000 2.320 190 R HA 0.179 4.519 4.340 -0.000 0.000 0.211 190 R C 0.351 176.658 176.300 0.013 0.000 0.931 190 R CA -0.021 56.085 56.100 0.009 0.000 1.071 190 R CB 0.314 30.613 30.300 -0.003 0.000 1.025 190 R HN 0.221 nan 8.270 nan 0.000 0.495 191 S N 0.758 116.469 115.700 0.018 0.000 2.601 191 S HA 0.292 4.762 4.470 -0.000 0.000 0.312 191 S C -2.050 172.559 174.600 0.015 0.000 1.107 191 S CA -2.020 56.189 58.200 0.015 0.000 1.129 191 S CB 1.162 64.372 63.200 0.017 0.000 0.982 191 S HN -0.127 nan 8.310 nan 0.000 0.469 192 P HA -0.142 nan 4.420 nan 0.000 0.216 192 P C 1.183 178.488 177.300 0.007 0.000 1.150 192 P CA 1.267 64.374 63.100 0.010 0.000 0.843 192 P CB 0.170 31.874 31.700 0.007 0.000 0.787 193 Q N -1.882 117.922 119.800 0.007 0.000 2.123 193 Q HA -0.126 4.214 4.340 -0.000 0.000 0.199 193 Q C 2.123 178.128 176.000 0.007 0.000 0.966 193 Q CA 1.141 56.947 55.803 0.005 0.000 0.845 193 Q CB -0.537 28.204 28.738 0.004 0.000 0.907 193 Q HN 0.173 nan 8.270 nan 0.000 0.439 194 M N 0.352 119.959 119.600 0.011 0.000 2.067 194 M HA -0.126 4.354 4.480 -0.000 0.000 0.260 194 M C 1.882 178.190 176.300 0.015 0.000 1.069 194 M CA 1.606 56.915 55.300 0.014 0.000 1.117 194 M CB -0.376 32.235 32.600 0.019 0.000 1.334 194 M HN 0.002 nan 8.290 nan 0.000 0.407 195 V N -0.403 119.521 119.914 0.017 0.000 2.407 195 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 195 V C 2.572 178.671 176.094 0.009 0.000 1.055 195 V CA 1.916 64.227 62.300 0.017 0.000 1.049 195 V CB -1.384 30.454 31.823 0.024 0.000 0.662 195 V HN 0.717 nan 8.190 nan 0.000 0.455 196 S N 0.163 115.865 115.700 0.004 0.000 2.382 196 S HA -0.161 4.309 4.470 -0.000 0.000 0.228 196 S C 2.120 176.719 174.600 -0.002 0.000 1.027 196 S CA 1.570 59.768 58.200 -0.003 0.000 0.991 196 S CB -0.275 62.921 63.200 -0.007 0.000 0.823 196 S HN 0.606 nan 8.310 nan 0.000 0.469 197 A N 1.302 124.122 122.820 0.001 0.000 1.898 197 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 197 A C 2.111 179.696 177.584 0.001 0.000 1.181 197 A CA 1.385 53.422 52.037 0.001 0.000 0.620 197 A CB -0.735 18.268 19.000 0.004 0.000 0.819 197 A HN 0.621 nan 8.150 nan 0.000 0.442 198 I N -0.469 120.102 120.570 0.003 0.000 2.142 198 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 198 I C 2.380 178.495 176.117 -0.004 0.000 1.078 198 I CA 1.258 62.558 61.300 -0.000 0.000 1.343 198 I CB -0.402 37.600 38.000 0.004 0.000 1.046 198 I HN 0.154 nan 8.210 nan 0.000 0.405 199 V N 0.867 120.780 119.914 -0.001 0.000 2.287 199 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 199 V C 2.581 178.672 176.094 -0.004 0.000 1.053 199 V CA 1.932 64.231 62.300 -0.002 0.000 1.027 199 V CB -0.801 31.020 31.823 -0.004 0.000 0.646 199 V HN 0.371 nan 8.190 nan 0.000 0.447 200 R N -0.404 120.093 120.500 -0.006 0.000 2.081 200 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 200 R C 2.408 178.706 176.300 -0.005 0.000 1.131 200 R CA 1.879 57.976 56.100 -0.006 0.000 0.960 200 R CB -0.785 29.511 30.300 -0.006 0.000 0.856 200 R HN 0.510 nan 8.270 nan 0.000 0.436 201 T N 1.673 116.224 114.554 -0.004 0.000 2.708 201 T HA -0.191 4.159 4.350 -0.000 0.000 0.266 201 T C 1.754 176.450 174.700 -0.006 0.000 1.037 201 T CA 1.482 63.579 62.100 -0.005 0.000 1.146 201 T CB -0.144 68.721 68.868 -0.005 0.000 0.865 201 T HN 0.249 nan 8.240 nan 0.000 0.435 202 M N 1.435 121.030 119.600 -0.008 0.000 2.080 202 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 202 M C 2.471 178.770 176.300 -0.001 0.000 1.068 202 M CA 1.821 57.117 55.300 -0.008 0.000 1.109 202 M CB -0.268 32.328 32.600 -0.007 0.000 1.342 202 M HN 0.320 nan 8.290 nan 0.000 0.405 203 Q N -1.281 118.520 119.800 0.001 0.000 2.451 203 Q HA -0.057 4.283 4.340 -0.000 0.000 0.206 203 Q C 0.429 176.430 176.000 0.000 0.000 0.947 203 Q CA 0.839 56.644 55.803 0.003 0.000 0.937 203 Q CB -0.036 28.704 28.738 0.003 0.000 1.025 203 Q HN 0.550 nan 8.270 nan 0.000 0.511 204 N N 0.256 118.955 118.700 -0.002 0.000 2.317 204 N HA 0.020 4.760 4.740 -0.000 0.000 0.199 204 N C 0.109 175.617 175.510 -0.003 0.000 1.145 204 N CA 0.398 53.447 53.050 -0.002 0.000 0.882 204 N CB 0.771 39.256 38.487 -0.003 0.000 1.113 204 N HN 0.141 nan 8.380 nan 0.000 0.486 205 T N 0.715 115.267 114.554 -0.003 0.000 2.855 205 T HA 0.087 4.437 4.350 -0.000 0.000 0.314 205 T C 0.817 175.515 174.700 -0.004 0.000 1.077 205 T CA 0.251 62.348 62.100 -0.004 0.000 1.095 205 T CB 0.437 69.301 68.868 -0.005 0.000 0.987 205 T HN 0.054 nan 8.240 nan 0.000 0.546 206 N N 1.834 120.531 118.700 -0.005 0.000 2.177 206 N HA 0.095 4.835 4.740 -0.000 0.000 0.218 206 N C -0.678 174.828 175.510 -0.007 0.000 1.182 206 N CA -0.140 52.907 53.050 -0.006 0.000 0.882 206 N CB 0.496 38.980 38.487 -0.005 0.000 1.052 206 N HN 0.666 nan 8.380 nan 0.000 0.519 207 D N 1.371 121.767 120.400 -0.006 0.000 2.373 207 D HA 0.107 4.747 4.640 -0.000 0.000 0.227 207 D C 1.368 177.663 176.300 -0.007 0.000 1.091 207 D CA -0.376 53.621 54.000 -0.005 0.000 0.840 207 D CB 2.002 42.800 40.800 -0.003 0.000 1.060 207 D HN -0.265 nan 8.370 nan 0.000 0.502 208 V N 4.388 124.296 119.914 -0.009 0.000 2.324 208 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 208 V C 2.387 178.477 176.094 -0.006 0.000 1.060 208 V CA 2.032 64.325 62.300 -0.012 0.000 1.042 208 V CB -0.511 31.300 31.823 -0.019 0.000 0.650 208 V HN 0.693 nan 8.190 nan 0.000 0.450 209 E N -0.300 119.900 120.200 -0.001 0.000 2.106 209 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 209 E C 2.183 178.782 176.600 -0.002 0.000 0.984 209 E CA 1.704 58.108 56.400 0.008 0.000 0.806 209 E CB -0.061 29.648 29.700 0.015 0.000 0.750 209 E HN 0.643 nan 8.360 nan 0.000 0.458 210 T N 0.349 114.899 114.554 -0.006 0.000 2.812 210 T HA -0.030 4.320 4.350 -0.000 0.000 0.264 210 T C 1.825 176.508 174.700 -0.028 0.000 1.042 210 T CA 1.042 63.133 62.100 -0.015 0.000 1.140 210 T CB -0.169 68.694 68.868 -0.008 0.000 0.870 210 T HN 0.308 nan 8.240 nan 0.000 0.445 211 A N 1.652 124.461 122.820 -0.017 0.000 1.933 211 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 211 A C 2.294 179.870 177.584 -0.013 0.000 1.175 211 A CA 1.597 53.626 52.037 -0.013 0.000 0.628 211 A CB -0.513 18.484 19.000 -0.004 0.000 0.814 211 A HN 0.387 nan 8.150 nan 0.000 0.444 212 R N -0.794 119.703 120.500 -0.004 0.000 2.062 212 R HA -0.121 4.219 4.340 -0.000 0.000 0.229 212 R C 2.151 178.366 176.300 -0.141 0.000 1.128 212 R CA 1.835 57.956 56.100 0.035 0.000 0.960 212 R CB -0.587 29.753 30.300 0.067 0.000 0.855 212 R HN 0.553 nan 8.270 nan 0.000 0.432 213 C N 0.186 119.364 119.300 -0.203 0.000 2.440 213 C HA -0.066 4.394 4.460 -0.000 0.000 0.278 213 C C 2.865 177.590 174.990 -0.441 0.000 1.295 213 C CA 1.415 60.158 59.018 -0.458 0.000 1.738 213 C CB -0.897 26.759 27.740 -0.142 0.000 1.987 213 C HN 0.724 nan 8.230 nan 0.000 0.492 214 T N 0.059 114.487 114.554 -0.210 0.000 2.770 214 T HA -0.016 4.334 4.350 -0.000 0.000 0.263 214 T C 2.011 176.613 174.700 -0.164 0.000 1.039 214 T CA 1.451 63.468 62.100 -0.138 0.000 1.142 214 T CB -0.535 68.295 68.868 -0.063 0.000 0.868 214 T HN 0.463 nan 8.240 nan 0.000 0.435 215 A N 1.795 124.520 122.820 -0.159 0.000 1.933 215 A HA 0.251 4.571 4.320 -0.000 0.000 0.218 215 A C 2.679 180.018 177.584 -0.408 0.000 1.175 215 A CA 1.615 53.574 52.037 -0.129 0.000 0.628 215 A CB -1.549 17.473 19.000 0.037 0.000 0.814 215 A HN 0.623 nan 8.150 nan 0.000 0.444 216 G N -1.301 107.004 108.800 -0.825 0.000 2.422 216 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.218 216 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.218 216 G C 1.515 176.209 174.900 -0.344 0.000 1.140 216 G CA 1.532 45.891 45.100 -1.235 0.000 0.775 216 G HN 0.433 nan 8.290 nan 0.000 0.545 217 T N 1.518 115.944 114.554 -0.213 0.000 2.737 217 T HA -0.018 4.332 4.350 -0.000 0.000 0.265 217 T C 2.416 177.122 174.700 0.010 0.000 1.038 217 T CA 0.769 62.888 62.100 0.032 0.000 1.144 217 T CB -0.214 68.667 68.868 0.021 0.000 0.866 217 T HN 0.138 nan 8.240 nan 0.000 0.434 218 L N 0.432 121.636 121.223 -0.032 0.000 2.046 218 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 218 L C 2.713 179.583 176.870 0.001 0.000 1.077 218 L CA 1.610 56.449 54.840 -0.001 0.000 0.747 218 L CB -0.776 41.287 42.059 0.007 0.000 0.896 218 L HN 0.478 nan 8.230 nan 0.000 0.432 219 H N 0.669 119.685 119.070 -0.089 0.000 2.319 219 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 219 H C 1.930 177.197 175.328 -0.102 0.000 1.092 219 H CA 1.867 57.876 56.048 -0.066 0.000 1.302 219 H CB 0.150 29.926 29.762 0.022 0.000 1.373 219 H HN 0.333 nan 8.280 nan 0.000 0.497 220 N N 0.915 119.593 118.700 -0.037 0.000 2.149 220 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 220 N C 2.319 177.872 175.510 0.072 0.000 1.019 220 N CA 0.935 54.041 53.050 0.093 0.000 0.857 220 N CB -0.320 38.282 38.487 0.191 0.000 0.997 220 N HN 0.432 nan 8.380 nan 0.000 0.426 221 L N 0.714 121.952 121.223 0.026 0.000 2.217 221 L HA -0.040 4.300 4.340 -0.000 0.000 0.211 221 L C 2.059 178.923 176.870 -0.010 0.000 1.107 221 L CA 0.823 55.715 54.840 0.087 0.000 0.783 221 L CB -0.564 41.541 42.059 0.077 0.000 0.919 221 L HN 0.170 nan 8.230 nan 0.000 0.442 222 S N -1.735 113.849 115.700 -0.194 0.000 2.547 222 S HA -0.158 4.312 4.470 -0.000 0.000 0.235 222 S C 1.365 175.772 174.600 -0.322 0.000 0.980 222 S CA 0.592 58.653 58.200 -0.231 0.000 0.941 222 S CB -0.670 62.387 63.200 -0.239 0.000 0.763 222 S HN 0.541 nan 8.310 nan 0.000 0.532 223 H N 0.363 119.276 119.070 -0.260 0.000 2.551 223 H HA 0.237 4.793 4.556 -0.000 0.000 0.266 223 H C 0.237 175.255 175.328 -0.516 0.000 0.977 223 H CA 0.737 56.539 56.048 -0.409 0.000 1.163 223 H CB 0.148 29.581 29.762 -0.549 0.000 1.381 223 H HN 0.511 nan 8.280 nan 0.000 0.581 224 H N -0.527 118.580 119.070 0.062 0.000 2.572 224 H HA 0.208 4.764 4.556 -0.000 0.000 0.359 224 H C 0.848 176.174 175.328 -0.002 0.000 1.134 224 H CA -0.580 55.489 56.048 0.035 0.000 1.187 224 H CB 1.892 31.699 29.762 0.075 0.000 1.597 224 H HN 0.115 nan 8.280 nan 0.000 0.524 225 R N 1.561 122.117 120.500 0.094 0.000 2.113 225 R HA -0.173 4.167 4.340 -0.000 0.000 0.244 225 R C 0.999 177.325 176.300 0.044 0.000 1.142 225 R CA 1.980 58.100 56.100 0.033 0.000 0.953 225 R CB 0.151 30.453 30.300 0.004 0.000 0.860 225 R HN 0.693 nan 8.270 nan 0.000 0.438 226 E N -1.368 118.861 120.200 0.049 0.000 2.152 226 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 226 E C 1.835 178.473 176.600 0.063 0.000 0.983 226 E CA 0.854 57.274 56.400 0.033 0.000 0.818 226 E CB -0.067 29.624 29.700 -0.015 0.000 0.758 226 E HN 0.590 nan 8.360 nan 0.000 0.467 227 G N 1.202 110.066 108.800 0.107 0.000 2.404 227 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 227 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 227 G C 1.566 176.512 174.900 0.077 0.000 1.174 227 G CA 0.282 45.446 45.100 0.106 0.000 0.780 227 G HN 0.079 nan 8.290 nan 0.000 0.537 228 L N -0.301 120.962 121.223 0.066 0.000 2.042 228 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 228 L C 2.705 179.632 176.870 0.094 0.000 1.076 228 L CA 0.640 55.516 54.840 0.060 0.000 0.749 228 L CB -0.406 41.676 42.059 0.039 0.000 0.893 228 L HN 0.238 nan 8.230 nan 0.000 0.432 229 L N 0.123 121.396 121.223 0.083 0.000 2.017 229 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 229 L C 2.651 179.611 176.870 0.151 0.000 1.073 229 L CA 2.083 56.994 54.840 0.118 0.000 0.745 229 L CB -0.827 41.276 42.059 0.074 0.000 0.894 229 L HN 0.142 nan 8.230 nan 0.000 0.432 230 A N -0.261 122.618 122.820 0.098 0.000 1.940 230 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 230 A C 2.283 179.914 177.584 0.078 0.000 1.176 230 A CA 2.218 54.301 52.037 0.077 0.000 0.631 230 A CB -0.951 18.083 19.000 0.056 0.000 0.814 230 A HN 0.549 nan 8.150 nan 0.000 0.446 231 I N -2.045 118.582 120.570 0.094 0.000 2.179 231 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 231 I C 2.352 178.533 176.117 0.107 0.000 1.088 231 I CA 1.662 63.014 61.300 0.086 0.000 1.357 231 I CB -0.370 37.683 38.000 0.088 0.000 1.051 231 I HN 0.445 nan 8.210 nan 0.000 0.409 232 F N 2.115 122.071 119.950 0.011 0.000 2.134 232 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 232 F C 2.315 178.120 175.800 0.008 0.000 1.097 232 F CA 1.690 59.696 58.000 0.010 0.000 1.264 232 F CB -0.251 38.754 39.000 0.009 0.000 1.001 232 F HN -0.145 nan 8.300 nan 0.000 0.479 233 K N -0.516 119.879 120.400 -0.008 0.000 2.439 233 K HA 0.024 4.344 4.320 -0.000 0.000 0.197 233 K C 1.296 177.832 176.600 -0.107 0.000 1.041 233 K CA 0.978 57.207 56.287 -0.097 0.000 0.970 233 K CB -0.128 32.394 32.500 0.036 0.000 0.773 233 K HN 0.137 nan 8.250 nan 0.000 0.479 234 S N 0.075 115.731 115.700 -0.074 0.000 2.582 234 S HA 0.159 4.629 4.470 -0.000 0.000 0.234 234 S C 0.867 175.424 174.600 -0.071 0.000 0.961 234 S CA 0.229 58.396 58.200 -0.054 0.000 0.953 234 S CB 0.909 64.100 63.200 -0.016 0.000 0.800 234 S HN 0.541 nan 8.310 nan 0.000 0.471 235 G N 1.316 110.041 108.800 -0.126 0.000 2.153 235 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 235 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 235 G C 0.902 175.765 174.900 -0.062 0.000 0.994 235 G CA 0.225 45.260 45.100 -0.109 0.000 0.698 235 G HN 0.634 nan 8.290 nan 0.000 0.521 236 G N 0.172 108.947 108.800 -0.043 0.000 2.432 236 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.219 236 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.219 236 G C 1.770 176.683 174.900 0.022 0.000 1.135 236 G CA 1.225 46.327 45.100 0.003 0.000 0.767 236 G HN 0.604 nan 8.290 nan 0.000 0.550 237 I N 1.357 121.940 120.570 0.021 0.000 2.142 237 I HA -0.119 4.051 4.170 -0.000 0.000 0.240 237 I C -0.137 175.999 176.117 0.032 0.000 1.078 237 I CA 1.151 62.482 61.300 0.052 0.000 1.343 237 I CB -0.846 37.208 38.000 0.090 0.000 1.046 237 I HN 0.151 nan 8.210 nan 0.000 0.405 238 P HA -0.123 nan 4.420 nan 0.000 0.217 238 P C 1.447 178.756 177.300 0.013 0.000 1.150 238 P CA 1.602 64.706 63.100 0.006 0.000 0.832 238 P CB 0.003 31.695 31.700 -0.013 0.000 0.787 239 A N -0.511 122.315 122.820 0.010 0.000 1.877 239 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 239 A C 2.181 179.784 177.584 0.032 0.000 1.186 239 A CA 1.433 53.480 52.037 0.015 0.000 0.620 239 A CB -1.653 17.352 19.000 0.009 0.000 0.822 239 A HN 0.101 nan 8.150 nan 0.000 0.443 240 L N -0.559 120.690 121.223 0.043 0.000 2.083 240 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 240 L C 2.459 179.370 176.870 0.067 0.000 1.083 240 L CA 0.855 55.733 54.840 0.063 0.000 0.752 240 L CB -0.497 41.608 42.059 0.077 0.000 0.899 240 L HN 0.230 nan 8.230 nan 0.000 0.433 241 V N 0.172 120.120 119.914 0.057 0.000 2.490 241 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 241 V C 2.579 178.703 176.094 0.050 0.000 1.061 241 V CA 1.786 64.120 62.300 0.056 0.000 1.064 241 V CB -0.517 31.334 31.823 0.046 0.000 0.670 241 V HN 0.459 nan 8.190 nan 0.000 0.461 242 K N -0.314 120.110 120.400 0.040 0.000 2.062 242 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 242 K C 2.046 178.669 176.600 0.038 0.000 1.051 242 K CA 1.275 57.581 56.287 0.033 0.000 0.941 242 K CB -0.098 32.415 32.500 0.022 0.000 0.719 242 K HN 0.244 nan 8.250 nan 0.000 0.440 243 M N 1.270 120.897 119.600 0.045 0.000 2.539 243 M HA -0.079 4.401 4.480 -0.000 0.000 0.261 243 M C 1.760 178.099 176.300 0.063 0.000 1.069 243 M CA 0.962 56.292 55.300 0.050 0.000 1.081 243 M CB -0.718 31.918 32.600 0.061 0.000 1.412 243 M HN 0.195 nan 8.290 nan 0.000 0.482 244 L N -0.809 120.460 121.223 0.077 0.000 2.362 244 L HA -0.078 4.262 4.340 -0.000 0.000 0.219 244 L C 2.145 179.058 176.870 0.072 0.000 1.134 244 L CA 0.809 55.711 54.840 0.102 0.000 0.807 244 L CB -0.841 41.285 42.059 0.111 0.000 0.927 244 L HN 0.380 nan 8.230 nan 0.000 0.447 245 G N -1.280 107.547 108.800 0.045 0.000 3.042 245 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.212 245 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.212 245 G C 0.696 175.598 174.900 0.003 0.000 1.166 245 G CA -0.086 45.029 45.100 0.025 0.000 0.767 245 G HN 0.208 nan 8.290 nan 0.000 0.546 246 S N 1.412 117.112 115.700 -0.000 0.000 2.552 246 S HA 0.205 4.675 4.470 -0.000 0.000 0.289 246 S C -0.377 174.188 174.600 -0.059 0.000 1.304 246 S CA -0.756 57.429 58.200 -0.025 0.000 1.063 246 S CB 1.348 64.533 63.200 -0.025 0.000 0.848 246 S HN 0.168 nan 8.310 nan 0.000 0.499 247 P HA 0.108 nan 4.420 nan 0.000 0.245 247 P C -0.357 176.870 177.300 -0.121 0.000 1.206 247 P CA 0.196 63.247 63.100 -0.082 0.000 0.781 247 P CB 0.061 31.726 31.700 -0.058 0.000 0.994 248 V N 1.983 121.819 119.914 -0.131 0.000 2.334 248 V HA 0.085 4.205 4.120 -0.000 0.000 0.267 248 V C 1.293 177.209 176.094 -0.298 0.000 1.040 248 V CA -0.062 62.133 62.300 -0.176 0.000 0.866 248 V CB 0.679 32.429 31.823 -0.121 0.000 1.019 248 V HN -0.144 nan 8.190 nan 0.000 0.468 249 D N 3.058 123.192 120.400 -0.443 0.000 2.154 249 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 249 D C 2.307 177.985 176.300 -1.036 0.000 1.003 249 D CA 2.247 55.711 54.000 -0.893 0.000 0.849 249 D CB -0.037 40.187 40.800 -0.960 0.000 0.942 249 D HN 0.736 nan 8.370 nan 0.000 0.446 250 S N -0.379 114.944 115.700 -0.629 0.000 2.383 250 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 250 S C 2.204 176.617 174.600 -0.312 0.000 1.030 250 S CA 1.333 59.248 58.200 -0.475 0.000 1.002 250 S CB -0.717 62.320 63.200 -0.272 0.000 0.829 250 S HN 0.145 nan 8.310 nan 0.000 0.467 251 V N 1.746 121.569 119.914 -0.152 0.000 2.323 251 V HA -0.029 4.091 4.120 -0.000 0.000 0.244 251 V C 2.457 178.583 176.094 0.054 0.000 1.041 251 V CA 1.517 63.838 62.300 0.036 0.000 1.025 251 V CB -0.890 30.938 31.823 0.009 0.000 0.656 251 V HN 0.491 nan 8.190 nan 0.000 0.451 252 L N -0.387 120.806 121.223 -0.050 0.000 2.042 252 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 252 L C 2.249 179.303 176.870 0.307 0.000 1.076 252 L CA 2.181 57.065 54.840 0.072 0.000 0.749 252 L CB -0.734 41.290 42.059 -0.058 0.000 0.893 252 L HN 0.201 nan 8.230 nan 0.000 0.432 253 F N -0.962 118.983 119.950 -0.008 0.000 2.146 253 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 253 F C 2.475 178.284 175.800 0.016 0.000 1.096 253 F CA 0.963 58.967 58.000 0.006 0.000 1.275 253 F CB -1.519 37.388 39.000 -0.154 0.000 1.008 253 F HN 0.156 nan 8.300 nan 0.000 0.480 254 Y N -0.123 120.282 120.300 0.175 0.000 2.181 254 Y HA -0.195 4.355 4.550 -0.000 0.000 0.288 254 Y C 2.577 178.549 175.900 0.120 0.000 1.146 254 Y CA 0.753 58.891 58.100 0.062 0.000 1.164 254 Y CB -0.421 38.063 38.460 0.041 0.000 0.982 254 Y HN 0.019 nan 8.280 nan 0.000 0.515 255 A N 0.119 123.120 122.820 0.302 0.000 1.858 255 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 255 A C 2.094 179.802 177.584 0.206 0.000 1.190 255 A CA 1.816 53.984 52.037 0.219 0.000 0.617 255 A CB -0.992 18.114 19.000 0.177 0.000 0.827 255 A HN 0.448 nan 8.150 nan 0.000 0.443 256 I N 0.584 121.293 120.570 0.232 0.000 2.286 256 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 256 I C 2.643 178.845 176.117 0.141 0.000 1.115 256 I CA 2.378 63.776 61.300 0.164 0.000 1.392 256 I CB -0.310 37.773 38.000 0.139 0.000 1.065 256 I HN 0.539 nan 8.210 nan 0.000 0.418 257 T N -3.844 110.818 114.554 0.180 0.000 2.857 257 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 257 T C 1.867 176.734 174.700 0.277 0.000 1.048 257 T CA 1.644 63.873 62.100 0.215 0.000 1.139 257 T CB -1.063 67.932 68.868 0.211 0.000 0.874 257 T HN 0.264 nan 8.240 nan 0.000 0.455 258 T N 2.461 117.182 114.554 0.279 0.000 2.746 258 T HA 0.119 4.469 4.350 -0.000 0.000 0.267 258 T C 1.900 176.674 174.700 0.124 0.000 1.039 258 T CA 1.151 63.365 62.100 0.191 0.000 1.142 258 T CB -0.525 68.446 68.868 0.171 0.000 0.866 258 T HN 0.270 nan 8.240 nan 0.000 0.444 259 L N 0.102 121.404 121.223 0.132 0.000 2.083 259 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 259 L C 2.646 179.567 176.870 0.084 0.000 1.083 259 L CA 1.443 56.342 54.840 0.099 0.000 0.752 259 L CB -0.645 41.473 42.059 0.098 0.000 0.899 259 L HN 0.457 nan 8.230 nan 0.000 0.433 260 H N 0.428 119.505 119.070 0.012 0.000 2.352 260 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 260 H C 1.938 177.238 175.328 -0.046 0.000 1.097 260 H CA 1.747 57.779 56.048 -0.027 0.000 1.311 260 H CB 0.304 30.054 29.762 -0.021 0.000 1.377 260 H HN 0.365 nan 8.280 nan 0.000 0.504 261 N N 0.743 119.428 118.700 -0.024 0.000 2.166 261 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 261 N C 2.328 177.788 175.510 -0.083 0.000 1.019 261 N CA 0.676 53.691 53.050 -0.060 0.000 0.856 261 N CB -0.359 38.135 38.487 0.011 0.000 0.993 261 N HN 0.378 nan 8.380 nan 0.000 0.426 262 L N 0.530 121.726 121.223 -0.045 0.000 2.027 262 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 262 L C 2.209 179.016 176.870 -0.105 0.000 1.074 262 L CA 0.728 55.547 54.840 -0.035 0.000 0.745 262 L CB -0.403 41.672 42.059 0.027 0.000 0.898 262 L HN 0.104 nan 8.230 nan 0.000 0.433 263 L N -0.682 120.463 121.223 -0.131 0.000 2.083 263 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 263 L C 2.441 179.155 176.870 -0.260 0.000 1.083 263 L CA 1.176 55.920 54.840 -0.159 0.000 0.752 263 L CB -0.381 41.602 42.059 -0.128 0.000 0.899 263 L HN 0.285 nan 8.230 nan 0.000 0.433 264 L N -1.372 119.592 121.223 -0.432 0.000 2.068 264 L HA -0.168 4.172 4.340 -0.000 0.000 0.204 264 L C 2.000 178.526 176.870 -0.573 0.000 1.076 264 L CA 1.370 55.834 54.840 -0.628 0.000 0.753 264 L CB -0.328 41.105 42.059 -1.044 0.000 0.910 264 L HN 0.333 nan 8.230 nan 0.000 0.439 265 H N -3.296 115.698 119.070 -0.126 0.000 2.874 265 H HA 0.139 4.695 4.556 -0.000 0.000 0.264 265 H C 0.281 175.543 175.328 -0.111 0.000 1.007 265 H CA -0.352 55.636 56.048 -0.100 0.000 1.207 265 H CB 0.621 30.336 29.762 -0.079 0.000 1.487 265 H HN 0.046 nan 8.280 nan 0.000 0.505 266 Q N 2.495 122.262 119.800 -0.054 0.000 2.368 266 Q HA 0.108 4.448 4.340 -0.000 0.000 0.256 266 Q C -0.717 175.128 176.000 -0.259 0.000 0.980 266 Q CA -0.590 55.123 55.803 -0.150 0.000 0.887 266 Q CB 0.561 29.204 28.738 -0.159 0.000 1.221 266 Q HN 0.122 nan 8.270 nan 0.000 0.458 267 E N 2.519 122.562 120.200 -0.262 0.000 2.465 267 E HA 0.215 4.565 4.350 -0.000 0.000 0.260 267 E C 0.834 177.146 176.600 -0.479 0.000 0.980 267 E CA 1.223 57.463 56.400 -0.267 0.000 0.927 267 E CB 0.551 30.141 29.700 -0.184 0.000 0.934 267 E HN 0.911 nan 8.360 nan 0.000 0.459 268 G N 2.449 111.067 108.800 -0.305 0.000 2.225 268 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.254 268 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.254 268 G C 1.124 175.948 174.900 -0.127 0.000 0.988 268 G CA 0.837 45.790 45.100 -0.245 0.000 0.625 268 G HN 0.650 nan 8.290 nan 0.000 0.527 269 A N 0.296 122.982 122.820 -0.223 0.000 1.969 269 A HA 0.173 4.493 4.320 -0.000 0.000 0.218 269 A C 2.160 179.765 177.584 0.035 0.000 1.169 269 A CA 2.209 54.241 52.037 -0.008 0.000 0.635 269 A CB -0.382 18.585 19.000 -0.054 0.000 0.810 269 A HN 0.523 nan 8.150 nan 0.000 0.445 270 K N -1.483 118.910 120.400 -0.011 0.000 2.026 270 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 270 K C 2.050 178.668 176.600 0.030 0.000 1.048 270 K CA 1.676 57.965 56.287 0.004 0.000 0.929 270 K CB -0.257 32.237 32.500 -0.011 0.000 0.713 270 K HN 0.437 nan 8.250 nan 0.000 0.439 271 M N 1.065 120.689 119.600 0.040 0.000 2.132 271 M HA -0.032 4.448 4.480 -0.000 0.000 0.263 271 M C 1.999 178.345 176.300 0.076 0.000 1.065 271 M CA 1.423 56.754 55.300 0.052 0.000 1.122 271 M CB -0.371 32.261 32.600 0.053 0.000 1.365 271 M HN 0.127 nan 8.290 nan 0.000 0.411 272 A N -0.901 121.996 122.820 0.128 0.000 1.908 272 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 272 A C 2.176 179.810 177.584 0.085 0.000 1.181 272 A CA 2.095 54.212 52.037 0.132 0.000 0.627 272 A CB -1.272 17.872 19.000 0.242 0.000 0.818 272 A HN 0.374 nan 8.150 nan 0.000 0.445 273 V N -0.052 119.911 119.914 0.081 0.000 2.358 273 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 273 V C 2.615 178.734 176.094 0.042 0.000 1.047 273 V CA 2.180 64.514 62.300 0.058 0.000 1.035 273 V CB -0.842 31.011 31.823 0.051 0.000 0.658 273 V HN 0.529 nan 8.190 nan 0.000 0.452 274 R N -0.175 120.347 120.500 0.037 0.000 2.091 274 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 274 R C 2.261 178.576 176.300 0.025 0.000 1.136 274 R CA 1.469 57.585 56.100 0.027 0.000 0.959 274 R CB -0.470 29.844 30.300 0.022 0.000 0.856 274 R HN 0.416 nan 8.270 nan 0.000 0.437 275 L N -0.034 121.207 121.223 0.030 0.000 2.201 275 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 275 L C 2.148 179.031 176.870 0.021 0.000 1.105 275 L CA 0.777 55.631 54.840 0.024 0.000 0.775 275 L CB -0.283 41.791 42.059 0.026 0.000 0.913 275 L HN 0.205 nan 8.230 nan 0.000 0.440 276 A N -0.323 122.513 122.820 0.025 0.000 2.302 276 A HA 0.365 4.685 4.320 -0.000 0.000 0.219 276 A C 1.618 179.216 177.584 0.023 0.000 1.243 276 A CA 0.555 52.606 52.037 0.022 0.000 0.856 276 A CB -0.503 18.512 19.000 0.025 0.000 0.893 276 A HN 0.482 nan 8.150 nan 0.000 0.491 277 G N -1.675 107.138 108.800 0.023 0.000 2.147 277 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 277 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 277 G C 1.136 176.053 174.900 0.028 0.000 1.005 277 G CA 0.518 45.632 45.100 0.023 0.000 0.713 277 G HN 1.215 nan 8.290 nan 0.000 0.515 278 G N -0.042 108.777 108.800 0.031 0.000 2.422 278 G HA2 0.036 3.996 3.960 -0.000 0.000 0.218 278 G HA3 0.036 3.996 3.960 -0.000 0.000 0.218 278 G C 1.814 176.733 174.900 0.031 0.000 1.140 278 G CA 1.203 46.324 45.100 0.036 0.000 0.775 278 G HN 0.594 nan 8.290 nan 0.000 0.545 279 L N -0.264 120.973 121.223 0.024 0.000 1.970 279 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 279 L C 3.200 180.082 176.870 0.021 0.000 1.071 279 L CA 1.532 56.383 54.840 0.018 0.000 0.751 279 L CB -0.510 41.558 42.059 0.014 0.000 0.889 279 L HN 0.190 nan 8.230 nan 0.000 0.432 280 Q N 0.064 119.877 119.800 0.022 0.000 2.135 280 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 280 Q C 2.140 178.160 176.000 0.033 0.000 0.981 280 Q CA 1.548 57.366 55.803 0.024 0.000 0.856 280 Q CB -0.137 28.614 28.738 0.022 0.000 0.902 280 Q HN 0.409 nan 8.270 nan 0.000 0.425 281 K N -0.223 120.200 120.400 0.038 0.000 2.062 281 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 281 K C 2.089 178.727 176.600 0.064 0.000 1.051 281 K CA 1.245 57.563 56.287 0.052 0.000 0.941 281 K CB -0.126 32.407 32.500 0.055 0.000 0.719 281 K HN 0.241 nan 8.250 nan 0.000 0.440 282 M N 0.703 120.334 119.600 0.051 0.000 2.132 282 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 282 M C 2.255 178.578 176.300 0.040 0.000 1.065 282 M CA 1.253 56.578 55.300 0.042 0.000 1.122 282 M CB -0.256 32.349 32.600 0.009 0.000 1.365 282 M HN -0.088 nan 8.290 nan 0.000 0.411 283 V N 0.428 120.361 119.914 0.032 0.000 2.407 283 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 283 V C 2.601 178.725 176.094 0.050 0.000 1.055 283 V CA 2.001 64.320 62.300 0.031 0.000 1.049 283 V CB -1.169 30.669 31.823 0.024 0.000 0.662 283 V HN 0.529 nan 8.190 nan 0.000 0.455 284 A N -0.471 122.382 122.820 0.055 0.000 1.969 284 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 284 A C 2.099 179.737 177.584 0.089 0.000 1.169 284 A CA 1.405 53.479 52.037 0.062 0.000 0.635 284 A CB -0.487 18.545 19.000 0.054 0.000 0.810 284 A HN 0.526 nan 8.150 nan 0.000 0.445 285 L N -0.281 121.016 121.223 0.124 0.000 2.551 285 L HA 0.004 4.344 4.340 -0.000 0.000 0.228 285 L C 1.568 178.578 176.870 0.233 0.000 1.153 285 L CA 0.106 55.072 54.840 0.210 0.000 0.851 285 L CB -0.273 41.989 42.059 0.339 0.000 0.959 285 L HN 0.365 nan 8.230 nan 0.000 0.451 286 L N 0.158 121.464 121.223 0.138 0.000 2.622 286 L HA -0.117 4.223 4.340 -0.000 0.000 0.233 286 L C 1.837 178.785 176.870 0.130 0.000 1.156 286 L CA 0.706 55.616 54.840 0.117 0.000 0.866 286 L CB -0.618 41.483 42.059 0.069 0.000 0.980 286 L HN 0.529 nan 8.230 nan 0.000 0.448 287 N N -1.280 117.494 118.700 0.124 0.000 2.412 287 N HA -0.052 4.688 4.740 -0.000 0.000 0.184 287 N C 0.727 176.305 175.510 0.112 0.000 1.101 287 N CA 0.027 53.141 53.050 0.106 0.000 0.881 287 N CB 0.288 38.820 38.487 0.075 0.000 0.969 287 N HN 0.007 nan 8.380 nan 0.000 0.459 288 K N 0.144 120.625 120.400 0.135 0.000 2.149 288 K HA 0.066 4.386 4.320 -0.000 0.000 0.245 288 K C 0.893 177.569 176.600 0.126 0.000 1.024 288 K CA 0.517 56.863 56.287 0.099 0.000 0.899 288 K CB 0.978 33.518 32.500 0.067 0.000 1.038 288 K HN 0.336 nan 8.250 nan 0.000 0.496 289 T N -3.404 111.205 114.554 0.092 0.000 3.043 289 T HA 0.014 4.364 4.350 -0.000 0.000 0.272 289 T C 0.426 175.135 174.700 0.014 0.000 0.990 289 T CA -0.395 61.772 62.100 0.112 0.000 0.897 289 T CB 0.008 68.977 68.868 0.168 0.000 1.111 289 T HN 0.375 nan 8.240 nan 0.000 0.529 290 N N 2.922 121.630 118.700 0.013 0.000 2.416 290 N HA 0.056 4.796 4.740 -0.000 0.000 0.265 290 N C 1.650 177.096 175.510 -0.106 0.000 1.195 290 N CA 0.254 53.283 53.050 -0.035 0.000 0.943 290 N CB 1.673 40.160 38.487 -0.001 0.000 1.115 290 N HN 0.263 nan 8.380 nan 0.000 0.481 291 V N 2.886 122.653 119.914 -0.245 0.000 2.490 291 V HA -0.157 3.963 4.120 -0.000 0.000 0.250 291 V C 1.962 177.933 176.094 -0.204 0.000 1.061 291 V CA 1.340 63.449 62.300 -0.319 0.000 1.064 291 V CB -0.509 31.080 31.823 -0.390 0.000 0.670 291 V HN 0.516 nan 8.190 nan 0.000 0.461 292 K N -0.279 119.966 120.400 -0.259 0.000 2.103 292 K HA -0.003 4.317 4.320 -0.000 0.000 0.204 292 K C 1.976 178.474 176.600 -0.170 0.000 1.052 292 K CA 1.642 57.836 56.287 -0.155 0.000 0.945 292 K CB -0.341 32.039 32.500 -0.200 0.000 0.722 292 K HN 0.567 nan 8.250 nan 0.000 0.443 293 F N 1.797 121.538 119.950 -0.348 0.000 2.146 293 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 293 F C 1.653 177.328 175.800 -0.207 0.000 1.096 293 F CA 1.240 59.024 58.000 -0.361 0.000 1.275 293 F CB -0.151 38.613 39.000 -0.394 0.000 1.008 293 F HN -0.129 nan 8.300 nan 0.000 0.480 294 L N -0.054 121.042 121.223 -0.211 0.000 2.141 294 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 294 L C 2.787 179.499 176.870 -0.263 0.000 1.094 294 L CA 0.973 55.658 54.840 -0.258 0.000 0.763 294 L CB -1.145 40.814 42.059 -0.166 0.000 0.908 294 L HN 0.276 nan 8.230 nan 0.000 0.437 295 A N 0.454 123.166 122.820 -0.179 0.000 1.877 295 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 295 A C 2.200 179.631 177.584 -0.255 0.000 1.186 295 A CA 1.455 53.414 52.037 -0.130 0.000 0.620 295 A CB -0.581 18.431 19.000 0.019 0.000 0.822 295 A HN 0.332 nan 8.150 nan 0.000 0.443 296 I N -0.471 119.887 120.570 -0.353 0.000 2.252 296 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 296 I C 2.524 178.364 176.117 -0.462 0.000 1.102 296 I CA 1.692 62.688 61.300 -0.505 0.000 1.385 296 I CB -0.508 37.212 38.000 -0.468 0.000 1.064 296 I HN 0.250 nan 8.210 nan 0.000 0.414 297 T N -0.061 114.184 114.554 -0.515 0.000 2.777 297 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 297 T C 1.970 176.522 174.700 -0.248 0.000 1.040 297 T CA 2.037 63.882 62.100 -0.424 0.000 1.141 297 T CB -0.476 68.020 68.868 -0.620 0.000 0.868 297 T HN 0.544 nan 8.240 nan 0.000 0.444 298 T N 0.398 114.812 114.554 -0.234 0.000 2.821 298 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 298 T C 1.723 176.327 174.700 -0.160 0.000 1.046 298 T CA 1.459 63.461 62.100 -0.165 0.000 1.139 298 T CB -0.506 68.271 68.868 -0.152 0.000 0.871 298 T HN 0.233 nan 8.240 nan 0.000 0.454 299 D N 0.289 120.575 120.400 -0.190 0.000 2.178 299 D HA -0.035 4.605 4.640 -0.000 0.000 0.202 299 D C 2.052 178.339 176.300 -0.022 0.000 0.974 299 D CA 0.561 54.481 54.000 -0.134 0.000 0.841 299 D CB -0.608 40.128 40.800 -0.106 0.000 0.953 299 D HN 0.464 nan 8.370 nan 0.000 0.478 300 C N -0.205 119.093 119.300 -0.004 0.000 2.432 300 C HA -0.063 4.397 4.460 -0.000 0.000 0.277 300 C C 2.767 177.752 174.990 -0.008 0.000 1.249 300 C CA 0.339 59.387 59.018 0.050 0.000 1.725 300 C CB -1.121 26.634 27.740 0.025 0.000 2.028 300 C HN 0.429 nan 8.230 nan 0.000 0.477 301 L N 0.487 121.687 121.223 -0.039 0.000 2.131 301 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 301 L C 2.883 179.735 176.870 -0.030 0.000 1.092 301 L CA 1.310 56.130 54.840 -0.033 0.000 0.759 301 L CB -0.817 41.217 42.059 -0.042 0.000 0.903 301 L HN 0.450 nan 8.230 nan 0.000 0.435 302 Q N 1.021 120.788 119.800 -0.055 0.000 2.046 302 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 302 Q C 2.251 178.241 176.000 -0.018 0.000 0.975 302 Q CA 1.788 57.558 55.803 -0.056 0.000 0.836 302 Q CB -0.136 28.523 28.738 -0.132 0.000 0.896 302 Q HN 0.542 nan 8.270 nan 0.000 0.428 303 I N 0.766 121.314 120.570 -0.037 0.000 2.226 303 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 303 I C 2.424 178.549 176.117 0.015 0.000 1.100 303 I CA 0.915 62.195 61.300 -0.034 0.000 1.374 303 I CB -0.276 37.681 38.000 -0.072 0.000 1.057 303 I HN 0.156 nan 8.210 nan 0.000 0.413 304 L N 0.313 121.540 121.223 0.008 0.000 2.093 304 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 304 L C 2.717 179.602 176.870 0.024 0.000 1.085 304 L CA 1.249 56.098 54.840 0.015 0.000 0.755 304 L CB -0.603 41.461 42.059 0.008 0.000 0.904 304 L HN 0.220 nan 8.230 nan 0.000 0.435 305 A N -1.194 121.642 122.820 0.027 0.000 2.016 305 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 305 A C 0.924 178.524 177.584 0.027 0.000 1.162 305 A CA 0.012 52.059 52.037 0.017 0.000 0.662 305 A CB -0.539 18.465 19.000 0.005 0.000 0.812 305 A HN 0.316 nan 8.150 nan 0.000 0.450 306 Y N 1.270 121.537 120.300 -0.054 0.000 2.805 306 Y HA 0.256 4.806 4.550 -0.000 0.000 0.331 306 Y C 1.444 177.315 175.900 -0.049 0.000 1.241 306 Y CA 0.661 58.726 58.100 -0.058 0.000 1.546 306 Y CB -0.026 38.394 38.460 -0.066 0.000 1.248 306 Y HN 0.519 nan 8.280 nan 0.000 0.559 307 G N 4.495 112.879 108.800 -0.693 0.000 2.212 307 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.267 307 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.267 307 G C 0.121 174.893 174.900 -0.213 0.000 1.002 307 G CA 0.490 45.293 45.100 -0.496 0.000 0.729 307 G HN 0.822 nan 8.290 nan 0.000 0.517 308 N N -0.047 118.569 118.700 -0.140 0.000 2.682 308 N HA 0.298 5.038 4.740 -0.000 0.000 0.252 308 N C 1.228 176.701 175.510 -0.061 0.000 1.081 308 N CA -0.144 52.861 53.050 -0.075 0.000 0.844 308 N CB 1.150 39.614 38.487 -0.038 0.000 1.167 308 N HN 0.204 nan 8.380 nan 0.000 0.523 309 Q N 2.275 122.037 119.800 -0.063 0.000 2.112 309 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 309 Q C 0.706 176.688 176.000 -0.031 0.000 0.987 309 Q CA 2.159 57.934 55.803 -0.048 0.000 0.858 309 Q CB 0.253 28.963 28.738 -0.045 0.000 0.905 309 Q HN 0.535 nan 8.270 nan 0.000 0.420 310 E N -0.352 119.833 120.200 -0.025 0.000 2.058 310 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 310 E C 2.141 178.734 176.600 -0.012 0.000 0.997 310 E CA 1.561 57.952 56.400 -0.015 0.000 0.801 310 E CB -0.497 29.196 29.700 -0.011 0.000 0.746 310 E HN 0.285 nan 8.360 nan 0.000 0.450 311 S N 0.565 116.257 115.700 -0.012 0.000 2.359 311 S HA -0.191 4.279 4.470 -0.000 0.000 0.224 311 S C 1.726 176.321 174.600 -0.009 0.000 1.035 311 S CA 1.413 59.609 58.200 -0.007 0.000 1.018 311 S CB -0.219 62.978 63.200 -0.006 0.000 0.876 311 S HN 0.215 nan 8.310 nan 0.000 0.448 312 K N 0.926 121.317 120.400 -0.016 0.000 2.063 312 K HA -0.065 4.255 4.320 -0.000 0.000 0.208 312 K C 2.010 178.604 176.600 -0.010 0.000 1.048 312 K CA 1.146 57.423 56.287 -0.016 0.000 0.928 312 K CB -0.429 32.056 32.500 -0.025 0.000 0.713 312 K HN 0.321 nan 8.250 nan 0.000 0.442 313 L N 0.630 121.847 121.223 -0.011 0.000 2.093 313 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 313 L C 2.366 179.235 176.870 -0.002 0.000 1.085 313 L CA 1.045 55.881 54.840 -0.007 0.000 0.755 313 L CB -0.422 41.632 42.059 -0.007 0.000 0.904 313 L HN 0.177 nan 8.230 nan 0.000 0.435 314 I N -0.118 120.452 120.570 -0.001 0.000 2.252 314 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 314 I C 2.451 178.571 176.117 0.004 0.000 1.102 314 I CA 1.402 62.704 61.300 0.003 0.000 1.385 314 I CB -0.147 37.855 38.000 0.004 0.000 1.064 314 I HN 0.156 nan 8.210 nan 0.000 0.414 315 I N 0.291 120.862 120.570 0.003 0.000 2.208 315 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 315 I C 2.533 178.653 176.117 0.005 0.000 1.097 315 I CA 1.286 62.588 61.300 0.004 0.000 1.363 315 I CB -0.269 37.731 38.000 -0.000 0.000 1.051 315 I HN 0.254 nan 8.210 nan 0.000 0.413 316 L N 1.192 122.417 121.223 0.003 0.000 2.046 316 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 316 L C 2.557 179.431 176.870 0.007 0.000 1.077 316 L CA 2.167 57.010 54.840 0.005 0.000 0.747 316 L CB -0.766 41.294 42.059 0.002 0.000 0.896 316 L HN 0.181 nan 8.230 nan 0.000 0.432 317 A N -1.271 121.553 122.820 0.006 0.000 1.940 317 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 317 A C 2.210 179.800 177.584 0.010 0.000 1.176 317 A CA 1.968 54.009 52.037 0.007 0.000 0.631 317 A CB -0.870 18.134 19.000 0.006 0.000 0.814 317 A HN 0.568 nan 8.150 nan 0.000 0.446 318 S N -1.356 114.351 115.700 0.012 0.000 2.631 318 S HA 0.370 4.840 4.470 -0.000 0.000 0.217 318 S C 1.251 175.862 174.600 0.018 0.000 0.958 318 S CA 0.673 58.883 58.200 0.016 0.000 0.920 318 S CB -0.057 63.153 63.200 0.017 0.000 0.776 318 S HN 1.678 nan 8.310 nan 0.000 0.517 319 G N 1.146 109.955 108.800 0.016 0.000 2.149 319 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.235 319 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.235 319 G C 0.815 175.727 174.900 0.020 0.000 1.018 319 G CA 0.168 45.279 45.100 0.018 0.000 0.728 319 G HN 0.597 nan 8.290 nan 0.000 0.508 320 G N 0.680 109.490 108.800 0.017 0.000 2.446 320 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.217 320 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.217 320 G C 0.154 175.065 174.900 0.017 0.000 1.168 320 G CA 1.764 46.874 45.100 0.016 0.000 0.771 320 G HN 0.536 nan 8.290 nan 0.000 0.551 321 P HA -0.153 nan 4.420 nan 0.000 0.214 321 P C 1.842 179.156 177.300 0.024 0.000 1.163 321 P CA 1.743 64.854 63.100 0.018 0.000 0.889 321 P CB -0.002 31.707 31.700 0.015 0.000 0.790 322 Q N -0.128 119.686 119.800 0.024 0.000 2.084 322 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 322 Q C 2.025 178.048 176.000 0.037 0.000 0.978 322 Q CA 2.183 58.002 55.803 0.028 0.000 0.844 322 Q CB -1.336 27.417 28.738 0.025 0.000 0.898 322 Q HN 0.110 nan 8.270 nan 0.000 0.426 323 A N -0.108 122.736 122.820 0.039 0.000 1.898 323 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 323 A C 2.094 179.713 177.584 0.059 0.000 1.181 323 A CA 1.420 53.489 52.037 0.052 0.000 0.620 323 A CB -0.688 18.342 19.000 0.049 0.000 0.819 323 A HN 0.441 nan 8.150 nan 0.000 0.442 324 L N -0.703 120.546 121.223 0.043 0.000 2.109 324 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 324 L C 2.452 179.354 176.870 0.054 0.000 1.086 324 L CA 0.738 55.602 54.840 0.040 0.000 0.760 324 L CB -0.506 41.563 42.059 0.017 0.000 0.910 324 L HN 0.215 nan 8.230 nan 0.000 0.437 325 V N 0.160 120.104 119.914 0.050 0.000 2.407 325 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 325 V C 2.216 178.352 176.094 0.069 0.000 1.055 325 V CA 1.623 63.957 62.300 0.056 0.000 1.049 325 V CB -0.670 31.179 31.823 0.044 0.000 0.662 325 V HN 0.481 nan 8.190 nan 0.000 0.455 326 N N 0.244 118.984 118.700 0.067 0.000 2.149 326 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 326 N C 1.705 177.277 175.510 0.103 0.000 1.019 326 N CA 1.336 54.427 53.050 0.068 0.000 0.857 326 N CB -0.281 38.246 38.487 0.066 0.000 0.997 326 N HN 0.315 nan 8.380 nan 0.000 0.426 327 I N 0.984 121.648 120.570 0.156 0.000 2.179 327 I HA -0.164 4.006 4.170 -0.000 0.000 0.242 327 I C 2.001 178.259 176.117 0.235 0.000 1.088 327 I CA 0.964 62.429 61.300 0.274 0.000 1.357 327 I CB -0.717 37.406 38.000 0.205 0.000 1.051 327 I HN 0.114 nan 8.210 nan 0.000 0.409 328 M N 0.040 119.732 119.600 0.154 0.000 2.213 328 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 328 M C 2.239 178.705 176.300 0.277 0.000 1.062 328 M CA 1.504 56.909 55.300 0.174 0.000 1.105 328 M CB -1.273 31.414 32.600 0.144 0.000 1.385 328 M HN 0.232 nan 8.290 nan 0.000 0.417 329 R N -1.034 119.557 120.500 0.152 0.000 2.200 329 R HA 0.008 4.348 4.340 -0.000 0.000 0.208 329 R C 1.953 178.271 176.300 0.031 0.000 1.033 329 R CA 1.183 57.335 56.100 0.087 0.000 1.000 329 R CB -0.017 30.306 30.300 0.039 0.000 0.906 329 R HN 0.366 nan 8.270 nan 0.000 0.462 330 T N -0.699 113.847 114.554 -0.013 0.000 2.980 330 T HA 0.067 4.417 4.350 -0.000 0.000 0.239 330 T C 0.258 174.817 174.700 -0.236 0.000 1.011 330 T CA 0.612 62.590 62.100 -0.203 0.000 1.171 330 T CB -0.141 68.455 68.868 -0.454 0.000 0.873 330 T HN -0.023 nan 8.240 nan 0.000 0.431 331 Y N 1.935 122.295 120.300 0.100 0.000 2.314 331 Y HA 0.313 4.863 4.550 -0.000 0.000 0.334 331 Y C 1.874 177.858 175.900 0.141 0.000 1.266 331 Y CA -0.211 57.955 58.100 0.110 0.000 1.391 331 Y CB 0.577 39.103 38.460 0.110 0.000 1.306 331 Y HN 0.131 nan 8.280 nan 0.000 0.558 332 T N -2.976 111.772 114.554 0.322 0.000 3.043 332 T HA 0.075 4.425 4.350 -0.000 0.000 0.272 332 T C -0.448 174.404 174.700 0.253 0.000 0.990 332 T CA -0.197 62.049 62.100 0.245 0.000 0.897 332 T CB -0.525 68.449 68.868 0.177 0.000 1.111 332 T HN 0.420 nan 8.240 nan 0.000 0.529 333 Y N 3.409 123.785 120.300 0.127 0.000 2.587 333 Y HA 0.303 4.853 4.550 -0.000 0.000 0.344 333 Y C 1.547 177.478 175.900 0.052 0.000 1.061 333 Y CA -1.525 56.615 58.100 0.067 0.000 1.370 333 Y CB 0.740 39.220 38.460 0.033 0.000 1.163 333 Y HN 0.099 nan 8.280 nan 0.000 0.527 334 E N 4.896 124.976 120.200 -0.199 0.000 2.097 334 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 334 E C 1.266 177.689 176.600 -0.295 0.000 1.000 334 E CA 1.775 58.047 56.400 -0.213 0.000 0.804 334 E CB 0.221 29.819 29.700 -0.170 0.000 0.740 334 E HN 0.846 nan 8.360 nan 0.000 0.454 335 K N 0.105 120.106 120.400 -0.664 0.000 2.097 335 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 335 K C 2.270 178.798 176.600 -0.119 0.000 1.049 335 K CA 1.112 57.182 56.287 -0.362 0.000 0.933 335 K CB -0.195 32.002 32.500 -0.504 0.000 0.717 335 K HN 0.093 nan 8.250 nan 0.000 0.442 336 L N 1.154 122.266 121.223 -0.185 0.000 2.109 336 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 336 L C 1.782 178.646 176.870 -0.010 0.000 1.086 336 L CA 1.361 56.207 54.840 0.010 0.000 0.760 336 L CB -0.192 41.951 42.059 0.140 0.000 0.910 336 L HN 0.082 nan 8.230 nan 0.000 0.437 337 L N -1.903 119.308 121.223 -0.020 0.000 2.083 337 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 337 L C 2.353 179.215 176.870 -0.013 0.000 1.083 337 L CA 1.569 56.366 54.840 -0.072 0.000 0.752 337 L CB -0.768 41.175 42.059 -0.194 0.000 0.899 337 L HN 0.525 nan 8.230 nan 0.000 0.433 338 W N 1.358 122.568 121.300 -0.150 0.000 2.408 338 W HA -0.210 4.450 4.660 -0.000 0.000 0.311 338 W C 2.852 179.325 176.519 -0.077 0.000 1.190 338 W CA 2.144 59.424 57.345 -0.107 0.000 1.321 338 W CB -0.665 28.728 29.460 -0.112 0.000 1.143 338 W HN 0.231 nan 8.180 nan 0.000 0.501 339 T N -2.134 112.251 114.554 -0.281 0.000 2.720 339 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 339 T C 1.652 176.141 174.700 -0.353 0.000 1.037 339 T CA 2.333 64.115 62.100 -0.531 0.000 1.144 339 T CB -1.249 67.446 68.868 -0.289 0.000 0.864 339 T HN 0.157 nan 8.240 nan 0.000 0.444 340 T N 2.495 116.931 114.554 -0.196 0.000 2.777 340 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 340 T C 2.507 177.136 174.700 -0.118 0.000 1.040 340 T CA 1.723 63.747 62.100 -0.127 0.000 1.141 340 T CB -0.645 68.188 68.868 -0.060 0.000 0.868 340 T HN 0.774 nan 8.240 nan 0.000 0.444 341 S N 1.997 117.624 115.700 -0.121 0.000 2.399 341 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 341 S C 2.035 176.581 174.600 -0.090 0.000 1.022 341 S CA 0.582 58.742 58.200 -0.067 0.000 0.983 341 S CB -0.375 62.817 63.200 -0.013 0.000 0.803 341 S HN 0.439 nan 8.310 nan 0.000 0.480 342 R N 0.688 121.054 120.500 -0.222 0.000 2.092 342 R HA 0.045 4.385 4.340 -0.000 0.000 0.231 342 R C 2.310 178.538 176.300 -0.120 0.000 1.119 342 R CA 1.314 57.290 56.100 -0.206 0.000 0.970 342 R CB -0.820 29.232 30.300 -0.412 0.000 0.864 342 R HN 0.390 nan 8.270 nan 0.000 0.440 343 V N 1.825 121.661 119.914 -0.129 0.000 2.295 343 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 343 V C 2.413 178.486 176.094 -0.034 0.000 1.049 343 V CA 1.633 63.889 62.300 -0.073 0.000 1.024 343 V CB -0.483 31.295 31.823 -0.074 0.000 0.648 343 V HN 0.250 nan 8.190 nan 0.000 0.447 344 L N -0.124 121.082 121.223 -0.028 0.000 2.083 344 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 344 L C 2.611 179.491 176.870 0.016 0.000 1.083 344 L CA 1.966 56.807 54.840 0.001 0.000 0.752 344 L CB -0.623 41.444 42.059 0.013 0.000 0.899 344 L HN 0.339 nan 8.230 nan 0.000 0.433 345 K N 0.193 120.605 120.400 0.022 0.000 2.009 345 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 345 K C 2.030 178.645 176.600 0.024 0.000 1.049 345 K CA 1.736 58.051 56.287 0.048 0.000 0.929 345 K CB -0.096 32.444 32.500 0.068 0.000 0.714 345 K HN 0.060 nan 8.250 nan 0.000 0.440 346 V N 1.770 121.694 119.914 0.017 0.000 2.332 346 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 346 V C 2.294 178.383 176.094 -0.009 0.000 1.055 346 V CA 1.703 64.014 62.300 0.017 0.000 1.038 346 V CB -0.339 31.514 31.823 0.049 0.000 0.651 346 V HN 0.338 nan 8.190 nan 0.000 0.450 347 L N 0.640 121.860 121.223 -0.005 0.000 2.156 347 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 347 L C 2.633 179.500 176.870 -0.004 0.000 1.095 347 L CA 1.504 56.339 54.840 -0.008 0.000 0.770 347 L CB -0.719 41.338 42.059 -0.004 0.000 0.914 347 L HN 0.535 nan 8.230 nan 0.000 0.439 348 S N -0.081 115.623 115.700 0.006 0.000 2.469 348 S HA -0.125 4.345 4.470 -0.000 0.000 0.238 348 S C 1.784 176.387 174.600 0.005 0.000 0.998 348 S CA 1.068 59.277 58.200 0.014 0.000 0.957 348 S CB -0.882 62.339 63.200 0.035 0.000 0.764 348 S HN 0.381 nan 8.310 nan 0.000 0.514 349 V N -1.033 118.874 119.914 -0.011 0.000 3.306 349 V HA 0.235 4.355 4.120 -0.000 0.000 0.264 349 V C 1.314 177.391 176.094 -0.027 0.000 1.149 349 V CA -0.036 62.249 62.300 -0.024 0.000 1.143 349 V CB -1.603 30.190 31.823 -0.050 0.000 0.767 349 V HN 0.704 nan 8.190 nan 0.000 0.476 350 C N 2.795 122.080 119.300 -0.025 0.000 2.394 350 C HA 0.554 5.014 4.460 -0.000 0.000 0.362 350 C C 2.435 177.417 174.990 -0.013 0.000 1.268 350 C CA 0.248 59.252 59.018 -0.024 0.000 1.828 350 C CB 0.272 27.997 27.740 -0.025 0.000 2.442 350 C HN 0.731 nan 8.230 nan 0.000 0.549 351 S N 3.869 119.562 115.700 -0.012 0.000 2.419 351 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 351 S C 1.575 176.173 174.600 -0.003 0.000 1.019 351 S CA 1.829 60.026 58.200 -0.006 0.000 0.982 351 S CB -0.308 62.889 63.200 -0.006 0.000 0.789 351 S HN 0.858 nan 8.310 nan 0.000 0.490 352 S N 1.985 117.682 115.700 -0.005 0.000 2.425 352 S HA 0.127 4.597 4.470 -0.000 0.000 0.225 352 S C 1.788 176.388 174.600 -0.001 0.000 1.024 352 S CA 0.332 58.530 58.200 -0.003 0.000 0.951 352 S CB -0.364 62.834 63.200 -0.004 0.000 0.796 352 S HN 0.591 nan 8.310 nan 0.000 0.498 353 N N 1.355 120.054 118.700 -0.002 0.000 2.300 353 N HA 0.040 4.780 4.740 -0.000 0.000 0.179 353 N C 1.537 177.050 175.510 0.005 0.000 1.016 353 N CA 0.584 53.635 53.050 0.001 0.000 0.876 353 N CB 0.002 38.488 38.487 -0.002 0.000 0.979 353 N HN 0.394 nan 8.380 nan 0.000 0.432 354 K N 0.865 121.269 120.400 0.006 0.000 2.001 354 K HA -0.150 4.170 4.320 -0.000 0.000 0.214 354 K C -0.716 175.890 176.600 0.010 0.000 1.050 354 K CA 1.562 57.855 56.287 0.010 0.000 0.934 354 K CB -1.059 31.448 32.500 0.010 0.000 0.718 354 K HN 0.140 nan 8.250 nan 0.000 0.443 355 P HA -0.186 nan 4.420 nan 0.000 0.216 355 P C 1.022 178.327 177.300 0.008 0.000 1.153 355 P CA 1.780 64.884 63.100 0.007 0.000 0.858 355 P CB -0.012 31.692 31.700 0.005 0.000 0.789 356 A N -0.673 122.152 122.820 0.008 0.000 1.877 356 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 356 A C 2.220 179.812 177.584 0.012 0.000 1.186 356 A CA 1.494 53.537 52.037 0.009 0.000 0.620 356 A CB -1.612 17.393 19.000 0.009 0.000 0.822 356 A HN 0.103 nan 8.150 nan 0.000 0.443 357 I N -0.452 120.126 120.570 0.014 0.000 2.179 357 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 357 I C 2.337 178.465 176.117 0.018 0.000 1.088 357 I CA 1.173 62.484 61.300 0.018 0.000 1.357 357 I CB -0.422 37.591 38.000 0.020 0.000 1.051 357 I HN 0.145 nan 8.210 nan 0.000 0.409 358 V N 0.708 120.632 119.914 0.016 0.000 2.343 358 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 358 V C 2.497 178.597 176.094 0.010 0.000 1.051 358 V CA 1.709 64.017 62.300 0.013 0.000 1.036 358 V CB -0.618 31.211 31.823 0.010 0.000 0.654 358 V HN 0.407 nan 8.190 nan 0.000 0.451 359 E N 0.525 120.730 120.200 0.009 0.000 2.150 359 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 359 E C 2.174 178.780 176.600 0.009 0.000 0.985 359 E CA 1.360 57.764 56.400 0.007 0.000 0.814 359 E CB -0.410 29.294 29.700 0.007 0.000 0.752 359 E HN 0.577 nan 8.360 nan 0.000 0.466 360 A N 0.325 123.152 122.820 0.013 0.000 2.239 360 A HA 0.224 4.544 4.320 -0.000 0.000 0.209 360 A C 1.549 179.143 177.584 0.017 0.000 1.171 360 A CA 0.997 53.044 52.037 0.016 0.000 0.768 360 A CB -0.433 18.579 19.000 0.020 0.000 0.790 360 A HN 0.271 nan 8.150 nan 0.000 0.478 361 G N -2.121 106.687 108.800 0.014 0.000 2.149 361 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.235 361 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.235 361 G C 1.107 176.020 174.900 0.022 0.000 1.018 361 G CA 0.510 45.619 45.100 0.014 0.000 0.728 361 G HN 1.202 nan 8.290 nan 0.000 0.508 362 G N -0.105 108.711 108.800 0.026 0.000 2.422 362 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.218 362 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.218 362 G C 1.882 176.804 174.900 0.038 0.000 1.146 362 G CA 1.648 46.769 45.100 0.035 0.000 0.769 362 G HN 0.439 nan 8.290 nan 0.000 0.547 363 M N 0.280 119.897 119.600 0.027 0.000 2.080 363 M HA -0.102 4.378 4.480 -0.000 0.000 0.260 363 M C 2.662 178.975 176.300 0.022 0.000 1.068 363 M CA 1.404 56.719 55.300 0.025 0.000 1.109 363 M CB -1.270 31.338 32.600 0.014 0.000 1.342 363 M HN 0.218 nan 8.290 nan 0.000 0.405 364 Q N 0.262 120.070 119.800 0.013 0.000 2.084 364 Q HA -0.003 4.337 4.340 -0.000 0.000 0.202 364 Q C 2.275 178.280 176.000 0.009 0.000 0.978 364 Q CA 2.035 57.840 55.803 0.004 0.000 0.844 364 Q CB -0.750 27.986 28.738 -0.003 0.000 0.898 364 Q HN 0.601 nan 8.270 nan 0.000 0.426 365 A N 0.373 123.211 122.820 0.030 0.000 1.933 365 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 365 A C 2.047 179.699 177.584 0.113 0.000 1.175 365 A CA 1.177 53.248 52.037 0.057 0.000 0.628 365 A CB -0.677 18.370 19.000 0.078 0.000 0.814 365 A HN 0.338 nan 8.150 nan 0.000 0.444 366 L N -0.804 120.484 121.223 0.109 0.000 2.093 366 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 366 L C 2.738 179.673 176.870 0.110 0.000 1.085 366 L CA 0.889 55.818 54.840 0.147 0.000 0.755 366 L CB -0.667 41.449 42.059 0.095 0.000 0.904 366 L HN 0.480 nan 8.230 nan 0.000 0.435 367 G N 0.006 108.832 108.800 0.043 0.000 2.498 367 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 367 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 367 G C 1.571 176.448 174.900 -0.039 0.000 1.119 367 G CA 0.296 45.400 45.100 0.006 0.000 0.766 367 G HN 0.269 nan 8.290 nan 0.000 0.552 368 L N -0.243 120.917 121.223 -0.105 0.000 2.275 368 L HA 0.019 4.359 4.340 -0.000 0.000 0.215 368 L C 1.798 178.421 176.870 -0.411 0.000 1.119 368 L CA 0.673 55.340 54.840 -0.289 0.000 0.790 368 L CB -0.208 41.583 42.059 -0.447 0.000 0.919 368 L HN 0.301 nan 8.230 nan 0.000 0.443 369 H N -0.960 118.119 119.070 0.015 0.000 2.592 369 H HA 0.214 4.770 4.556 -0.000 0.000 0.279 369 H C 1.869 177.201 175.328 0.006 0.000 1.089 369 H CA -0.050 56.008 56.048 0.017 0.000 1.150 369 H CB 0.628 30.409 29.762 0.032 0.000 1.575 369 H HN 0.305 nan 8.280 nan 0.000 0.547 370 L N 1.018 122.278 121.223 0.062 0.000 2.456 370 L HA -0.064 4.276 4.340 -0.000 0.000 0.224 370 L C 1.555 178.431 176.870 0.011 0.000 1.148 370 L CA 1.503 56.360 54.840 0.029 0.000 0.825 370 L CB -0.116 41.944 42.059 0.003 0.000 0.937 370 L HN 0.234 nan 8.230 nan 0.000 0.450 371 T N -5.755 108.806 114.554 0.012 0.000 3.252 371 T HA 0.105 4.455 4.350 -0.000 0.000 0.286 371 T C 0.388 175.096 174.700 0.013 0.000 1.013 371 T CA -0.601 61.501 62.100 0.002 0.000 0.914 371 T CB -0.031 68.832 68.868 -0.008 0.000 1.131 371 T HN 0.050 nan 8.240 nan 0.000 0.529 372 D N 2.314 122.737 120.400 0.037 0.000 2.400 372 D HA 0.096 4.736 4.640 -0.000 0.000 0.238 372 D C -1.462 174.847 176.300 0.014 0.000 1.157 372 D CA -1.307 52.721 54.000 0.045 0.000 0.889 372 D CB 1.763 42.615 40.800 0.087 0.000 1.199 372 D HN 0.021 nan 8.370 nan 0.000 0.436 373 P HA -0.021 nan 4.420 nan 0.000 0.229 373 P C 0.169 177.451 177.300 -0.030 0.000 1.160 373 P CA 0.364 63.455 63.100 -0.013 0.000 0.777 373 P CB 0.251 31.943 31.700 -0.013 0.000 0.814 374 S N 0.343 116.023 115.700 -0.033 0.000 2.414 374 S HA 0.051 4.521 4.470 -0.000 0.000 0.290 374 S C 1.304 175.870 174.600 -0.055 0.000 1.160 374 S CA -0.426 57.734 58.200 -0.067 0.000 1.069 374 S CB 0.205 63.353 63.200 -0.086 0.000 1.012 374 S HN -0.124 nan 8.310 nan 0.000 0.510 375 Q N 5.187 124.948 119.800 -0.065 0.000 2.167 375 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 375 Q C 2.162 178.139 176.000 -0.038 0.000 0.970 375 Q CA 1.860 57.633 55.803 -0.050 0.000 0.855 375 Q CB -0.116 28.591 28.738 -0.051 0.000 0.911 375 Q HN 0.901 nan 8.270 nan 0.000 0.438 376 R N -0.706 119.750 120.500 -0.072 0.000 2.115 376 R HA -0.091 4.249 4.340 -0.000 0.000 0.230 376 R C 1.917 178.296 176.300 0.131 0.000 1.111 376 R CA 1.313 57.404 56.100 -0.017 0.000 0.976 376 R CB -0.709 29.433 30.300 -0.264 0.000 0.870 376 R HN 0.293 nan 8.270 nan 0.000 0.445 377 L N 1.367 122.632 121.223 0.071 0.000 2.044 377 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 377 L C 2.186 179.113 176.870 0.094 0.000 1.075 377 L CA 1.328 56.253 54.840 0.142 0.000 0.747 377 L CB -0.344 41.754 42.059 0.065 0.000 0.903 377 L HN 0.034 nan 8.230 nan 0.000 0.435 378 V N -0.250 119.689 119.914 0.042 0.000 2.255 378 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 378 V C 2.660 178.728 176.094 -0.043 0.000 1.051 378 V CA 2.003 64.308 62.300 0.009 0.000 1.018 378 V CB -0.779 31.032 31.823 -0.020 0.000 0.641 378 V HN 0.559 nan 8.190 nan 0.000 0.445 379 Q N 0.582 120.339 119.800 -0.073 0.000 2.096 379 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 379 Q C 2.050 177.946 176.000 -0.173 0.000 0.982 379 Q CA 2.006 57.674 55.803 -0.226 0.000 0.850 379 Q CB -0.550 28.088 28.738 -0.167 0.000 0.901 379 Q HN 0.639 nan 8.270 nan 0.000 0.422 380 N N -0.984 117.778 118.700 0.105 0.000 2.188 380 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 380 N C 1.669 177.273 175.510 0.156 0.000 1.018 380 N CA 1.365 54.559 53.050 0.241 0.000 0.858 380 N CB -0.270 38.369 38.487 0.254 0.000 0.989 380 N HN 0.331 nan 8.380 nan 0.000 0.426 381 C N 0.787 120.139 119.300 0.087 0.000 2.435 381 C HA 0.037 4.497 4.460 -0.000 0.000 0.279 381 C C 2.818 177.839 174.990 0.051 0.000 1.321 381 C CA 0.108 59.171 59.018 0.076 0.000 1.752 381 C CB -1.112 26.677 27.740 0.082 0.000 1.959 381 C HN 0.401 nan 8.230 nan 0.000 0.500 382 L N -1.201 120.004 121.223 -0.030 0.000 2.056 382 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 382 L C 2.575 179.454 176.870 0.015 0.000 1.078 382 L CA 1.699 56.487 54.840 -0.088 0.000 0.749 382 L CB -0.536 41.366 42.059 -0.262 0.000 0.901 382 L HN 0.524 nan 8.230 nan 0.000 0.433 383 W N 0.219 121.542 121.300 0.038 0.000 2.335 383 W HA -0.236 4.424 4.660 0.000 0.000 0.311 383 W C 2.688 179.223 176.519 0.028 0.000 1.213 383 W CA 1.124 58.489 57.345 0.033 0.000 1.274 383 W CB -0.571 28.912 29.460 0.038 0.000 1.148 383 W HN 0.070 nan 8.180 nan 0.000 0.498 384 T N 1.151 115.872 114.554 0.278 0.000 2.708 384 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 384 T C 1.802 176.572 174.700 0.118 0.000 1.037 384 T CA 1.390 63.586 62.100 0.160 0.000 1.146 384 T CB -0.731 68.207 68.868 0.116 0.000 0.865 384 T HN 0.051 nan 8.240 nan 0.000 0.435 385 L N 0.520 121.803 121.223 0.100 0.000 2.042 385 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 385 L C 2.884 179.799 176.870 0.076 0.000 1.076 385 L CA 1.456 56.339 54.840 0.070 0.000 0.749 385 L CB -0.451 41.637 42.059 0.048 0.000 0.893 385 L HN 0.167 nan 8.230 nan 0.000 0.432 386 R N 0.021 120.584 120.500 0.105 0.000 2.081 386 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 386 R C 2.133 178.493 176.300 0.101 0.000 1.131 386 R CA 1.582 57.748 56.100 0.110 0.000 0.960 386 R CB -0.086 30.312 30.300 0.163 0.000 0.856 386 R HN 0.389 nan 8.270 nan 0.000 0.436 387 N N 0.653 119.419 118.700 0.110 0.000 2.166 387 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 387 N C 1.766 177.308 175.510 0.054 0.000 1.019 387 N CA 1.187 54.282 53.050 0.076 0.000 0.856 387 N CB -0.132 38.395 38.487 0.067 0.000 0.993 387 N HN 0.282 nan 8.380 nan 0.000 0.426 388 L N 0.878 122.133 121.223 0.054 0.000 2.240 388 L HA -0.026 4.314 4.340 -0.000 0.000 0.211 388 L C 2.354 179.244 176.870 0.034 0.000 1.106 388 L CA 0.543 55.407 54.840 0.039 0.000 0.793 388 L CB -0.493 41.589 42.059 0.039 0.000 0.927 388 L HN 0.166 nan 8.230 nan 0.000 0.446 389 S N 0.368 116.093 115.700 0.041 0.000 2.380 389 S HA -0.288 4.182 4.470 -0.000 0.000 0.229 389 S C 1.673 176.291 174.600 0.029 0.000 1.043 389 S CA 1.615 59.836 58.200 0.035 0.000 1.038 389 S CB -0.757 62.469 63.200 0.043 0.000 0.872 389 S HN 0.677 nan 8.310 nan 0.000 0.456 390 D N 2.029 122.449 120.400 0.033 0.000 2.309 390 D HA -0.022 4.618 4.640 -0.000 0.000 0.212 390 D C 1.530 177.840 176.300 0.016 0.000 0.968 390 D CA 1.127 55.143 54.000 0.027 0.000 0.882 390 D CB -0.248 40.571 40.800 0.031 0.000 0.918 390 D HN 0.663 nan 8.370 nan 0.000 0.503 391 A N -0.079 122.750 122.820 0.016 0.000 2.387 391 A HA 0.586 4.906 4.320 -0.000 0.000 0.234 391 A C 1.670 179.258 177.584 0.005 0.000 1.253 391 A CA 0.278 52.321 52.037 0.010 0.000 0.894 391 A CB 0.365 19.372 19.000 0.011 0.000 0.963 391 A HN 0.287 nan 8.150 nan 0.000 0.508 392 A N -0.255 122.568 122.820 0.005 0.000 2.564 392 A HA 0.319 4.639 4.320 -0.000 0.000 0.279 392 A C 1.583 179.160 177.584 -0.012 0.000 1.232 392 A CA 0.834 52.871 52.037 -0.001 0.000 0.950 392 A CB -0.920 18.082 19.000 0.004 0.000 1.138 392 A HN 0.530 nan 8.150 nan 0.000 0.526 393 T N -2.466 112.079 114.554 -0.015 0.000 3.155 393 T HA 0.003 4.353 4.350 -0.000 0.000 0.264 393 T C 1.048 175.723 174.700 -0.041 0.000 1.160 393 T CA 0.989 63.072 62.100 -0.030 0.000 1.075 393 T CB -0.183 68.665 68.868 -0.033 0.000 0.921 393 T HN 0.165 nan 8.240 nan 0.000 0.533 394 K N 0.376 120.756 120.400 -0.033 0.000 2.374 394 K HA 0.303 4.623 4.320 -0.000 0.000 0.202 394 K C 0.562 177.139 176.600 -0.039 0.000 1.040 394 K CA -0.071 56.193 56.287 -0.039 0.000 1.085 394 K CB 0.425 32.909 32.500 -0.026 0.000 0.873 394 K HN 0.427 nan 8.250 nan 0.000 0.539 395 Q N 1.184 120.963 119.800 -0.034 0.000 2.394 395 Q HA 0.162 4.502 4.340 -0.000 0.000 0.248 395 Q C 0.108 176.083 176.000 -0.042 0.000 0.992 395 Q CA 0.493 56.278 55.803 -0.030 0.000 0.888 395 Q CB 1.153 29.879 28.738 -0.020 0.000 1.257 395 Q HN 0.183 nan 8.270 nan 0.000 0.462 396 E N -0.936 119.242 120.200 -0.036 0.000 2.396 396 E HA 0.475 4.825 4.350 -0.000 0.000 0.251 396 E C 0.036 176.618 176.600 -0.031 0.000 0.949 396 E CA -0.621 55.754 56.400 -0.041 0.000 0.834 396 E CB 1.045 30.723 29.700 -0.037 0.000 1.309 396 E HN 0.789 nan 8.360 nan 0.000 0.405 397 G N 0.963 109.745 108.800 -0.030 0.000 2.225 397 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.267 397 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.267 397 G C 0.533 175.418 174.900 -0.024 0.000 1.024 397 G CA 0.479 45.565 45.100 -0.024 0.000 0.784 397 G HN 0.244 nan 8.290 nan 0.000 0.507 398 M N -0.853 118.729 119.600 -0.030 0.000 2.371 398 M HA 0.195 4.675 4.480 -0.000 0.000 0.246 398 M C 1.865 178.148 176.300 -0.028 0.000 1.103 398 M CA 0.532 55.815 55.300 -0.028 0.000 1.010 398 M CB -0.042 32.539 32.600 -0.032 0.000 1.457 398 M HN 0.274 nan 8.290 nan 0.000 0.486 399 E N 1.115 121.298 120.200 -0.029 0.000 2.058 399 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 399 E C 2.165 178.751 176.600 -0.022 0.000 0.997 399 E CA 1.811 58.195 56.400 -0.026 0.000 0.801 399 E CB -0.600 29.087 29.700 -0.023 0.000 0.746 399 E HN 0.579 nan 8.360 nan 0.000 0.450 400 G N 0.800 109.586 108.800 -0.023 0.000 2.404 400 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.215 400 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.215 400 G C 1.513 176.399 174.900 -0.023 0.000 1.174 400 G CA 0.802 45.888 45.100 -0.023 0.000 0.780 400 G HN 0.211 nan 8.290 nan 0.000 0.537 401 L N 0.721 121.931 121.223 -0.021 0.000 1.990 401 L HA -0.027 4.313 4.340 -0.000 0.000 0.213 401 L C 2.743 179.604 176.870 -0.016 0.000 1.072 401 L CA 1.605 56.435 54.840 -0.017 0.000 0.755 401 L CB -0.705 41.346 42.059 -0.012 0.000 0.889 401 L HN 0.231 nan 8.230 nan 0.000 0.432 402 L N -0.603 120.609 121.223 -0.018 0.000 2.042 402 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 402 L C 2.554 179.414 176.870 -0.017 0.000 1.076 402 L CA 1.390 56.219 54.840 -0.018 0.000 0.749 402 L CB -1.471 40.574 42.059 -0.023 0.000 0.893 402 L HN 0.509 nan 8.230 nan 0.000 0.432 403 G N -0.885 107.904 108.800 -0.018 0.000 2.418 403 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 403 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 403 G C 1.574 176.463 174.900 -0.018 0.000 1.158 403 G CA 1.287 46.377 45.100 -0.017 0.000 0.771 403 G HN 0.302 nan 8.290 nan 0.000 0.545 404 T N 1.461 116.003 114.554 -0.019 0.000 2.777 404 T HA -0.019 4.331 4.350 -0.000 0.000 0.266 404 T C 2.431 177.118 174.700 -0.021 0.000 1.040 404 T CA 0.848 62.936 62.100 -0.020 0.000 1.141 404 T CB -0.193 68.662 68.868 -0.021 0.000 0.868 404 T HN 0.159 nan 8.240 nan 0.000 0.444 405 L N 0.756 121.967 121.223 -0.020 0.000 2.046 405 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 405 L C 2.656 179.513 176.870 -0.021 0.000 1.077 405 L CA 0.873 55.701 54.840 -0.021 0.000 0.747 405 L CB -0.782 41.268 42.059 -0.015 0.000 0.896 405 L HN 0.143 nan 8.230 nan 0.000 0.432 406 V N -0.658 119.245 119.914 -0.019 0.000 2.407 406 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 406 V C 2.576 178.656 176.094 -0.023 0.000 1.055 406 V CA 1.513 63.801 62.300 -0.020 0.000 1.049 406 V CB -0.476 31.336 31.823 -0.018 0.000 0.662 406 V HN 0.485 nan 8.190 nan 0.000 0.455 407 Q N -0.477 119.309 119.800 -0.023 0.000 2.119 407 Q HA -0.042 4.298 4.340 -0.000 0.000 0.201 407 Q C 2.250 178.235 176.000 -0.026 0.000 0.972 407 Q CA 1.279 57.068 55.803 -0.023 0.000 0.847 407 Q CB -0.303 28.422 28.738 -0.021 0.000 0.903 407 Q HN 0.550 nan 8.270 nan 0.000 0.433 408 L N 0.412 121.618 121.223 -0.029 0.000 2.275 408 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 408 L C 2.204 179.053 176.870 -0.035 0.000 1.119 408 L CA 0.379 55.198 54.840 -0.036 0.000 0.790 408 L CB -0.405 41.628 42.059 -0.044 0.000 0.919 408 L HN 0.174 nan 8.230 nan 0.000 0.443 409 L N -0.289 120.916 121.223 -0.030 0.000 2.353 409 L HA -0.133 4.207 4.340 -0.000 0.000 0.220 409 L C 2.177 179.032 176.870 -0.025 0.000 1.133 409 L CA 1.013 55.837 54.840 -0.026 0.000 0.798 409 L CB -0.645 41.400 42.059 -0.023 0.000 0.922 409 L HN 0.324 nan 8.230 nan 0.000 0.445 410 G N -1.465 107.319 108.800 -0.025 0.000 3.141 410 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.218 410 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.218 410 G C 0.663 175.550 174.900 -0.022 0.000 1.170 410 G CA -0.087 44.999 45.100 -0.022 0.000 0.769 410 G HN 0.201 nan 8.290 nan 0.000 0.546 411 S N 0.688 116.372 115.700 -0.027 0.000 2.573 411 S HA 0.122 4.592 4.470 -0.000 0.000 0.277 411 S C 1.322 175.907 174.600 -0.024 0.000 1.346 411 S CA 0.285 58.468 58.200 -0.029 0.000 1.034 411 S CB 0.806 63.981 63.200 -0.041 0.000 0.879 411 S HN 0.399 nan 8.310 nan 0.000 0.528 412 D N 1.206 121.593 120.400 -0.022 0.000 2.328 412 D HA 0.102 4.742 4.640 -0.000 0.000 0.221 412 D C -0.147 176.142 176.300 -0.018 0.000 1.072 412 D CA -0.096 53.893 54.000 -0.017 0.000 0.850 412 D CB -0.087 40.704 40.800 -0.014 0.000 0.922 412 D HN 0.365 nan 8.370 nan 0.000 0.516 413 D N 0.879 121.262 120.400 -0.028 0.000 2.373 413 D HA 0.090 4.730 4.640 -0.000 0.000 0.227 413 D C 1.179 177.458 176.300 -0.034 0.000 1.091 413 D CA -0.588 53.393 54.000 -0.031 0.000 0.840 413 D CB 1.168 41.940 40.800 -0.048 0.000 1.060 413 D HN 0.049 nan 8.370 nan 0.000 0.502 414 I N 4.186 124.747 120.570 -0.015 0.000 2.194 414 I HA -0.341 3.829 4.170 -0.000 0.000 0.246 414 I C 1.320 177.425 176.117 -0.021 0.000 1.093 414 I CA 1.455 62.752 61.300 -0.005 0.000 1.355 414 I CB 0.144 38.156 38.000 0.021 0.000 1.046 414 I HN 0.409 nan 8.210 nan 0.000 0.413 415 N N -0.625 118.051 118.700 -0.040 0.000 2.270 415 N HA -0.128 4.612 4.740 -0.000 0.000 0.181 415 N C 1.714 177.065 175.510 -0.266 0.000 1.016 415 N CA 1.077 54.049 53.050 -0.130 0.000 0.870 415 N CB 0.105 38.514 38.487 -0.130 0.000 0.979 415 N HN 0.187 nan 8.380 nan 0.000 0.431 416 V N 0.372 120.172 119.914 -0.191 0.000 2.307 416 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 416 V C 2.174 178.191 176.094 -0.129 0.000 1.045 416 V CA 1.255 63.444 62.300 -0.184 0.000 1.024 416 V CB -0.371 31.378 31.823 -0.123 0.000 0.651 416 V HN 0.130 nan 8.190 nan 0.000 0.449 417 V N -0.016 119.849 119.914 -0.081 0.000 2.343 417 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 417 V C 2.579 178.650 176.094 -0.038 0.000 1.051 417 V CA 2.617 64.888 62.300 -0.049 0.000 1.036 417 V CB -1.124 30.682 31.823 -0.027 0.000 0.654 417 V HN 0.622 nan 8.190 nan 0.000 0.451 418 T N -1.055 113.479 114.554 -0.034 0.000 2.684 418 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 418 T C 1.972 176.673 174.700 0.001 0.000 1.036 418 T CA 2.013 64.116 62.100 0.005 0.000 1.148 418 T CB -0.562 68.335 68.868 0.048 0.000 0.863 418 T HN 0.523 nan 8.240 nan 0.000 0.436 419 C N 1.477 120.737 119.300 -0.066 0.000 2.432 419 C HA 0.107 4.567 4.460 -0.000 0.000 0.277 419 C C 3.260 178.231 174.990 -0.032 0.000 1.249 419 C CA 0.331 59.314 59.018 -0.058 0.000 1.725 419 C CB -1.441 26.175 27.740 -0.206 0.000 2.028 419 C HN 0.670 nan 8.230 nan 0.000 0.477 420 A N 0.544 123.333 122.820 -0.053 0.000 1.908 420 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 420 A C 2.358 179.937 177.584 -0.008 0.000 1.181 420 A CA 2.285 54.303 52.037 -0.031 0.000 0.627 420 A CB -0.963 18.014 19.000 -0.039 0.000 0.818 420 A HN 0.595 nan 8.150 nan 0.000 0.445 421 A N -0.632 122.186 122.820 -0.004 0.000 1.902 421 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 421 A C 2.416 180.013 177.584 0.021 0.000 1.181 421 A CA 1.956 53.998 52.037 0.007 0.000 0.623 421 A CB -1.360 17.645 19.000 0.008 0.000 0.818 421 A HN 0.731 nan 8.150 nan 0.000 0.443 422 G N -0.004 108.816 108.800 0.033 0.000 2.404 422 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.215 422 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.215 422 G C 1.527 176.459 174.900 0.053 0.000 1.174 422 G CA 1.088 46.219 45.100 0.051 0.000 0.780 422 G HN 0.468 nan 8.290 nan 0.000 0.537 423 I N 0.375 120.970 120.570 0.043 0.000 2.179 423 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 423 I C 2.706 178.846 176.117 0.038 0.000 1.088 423 I CA 0.714 62.038 61.300 0.039 0.000 1.357 423 I CB -0.206 37.809 38.000 0.025 0.000 1.051 423 I HN 0.113 nan 8.210 nan 0.000 0.409 424 L N -0.320 120.921 121.223 0.031 0.000 2.083 424 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 424 L C 2.746 179.656 176.870 0.067 0.000 1.083 424 L CA 1.283 56.143 54.840 0.034 0.000 0.752 424 L CB -0.525 41.545 42.059 0.019 0.000 0.899 424 L HN 0.254 nan 8.230 nan 0.000 0.433 425 S N 0.105 115.848 115.700 0.071 0.000 2.356 425 S HA -0.176 4.294 4.470 -0.000 0.000 0.223 425 S C 1.843 176.571 174.600 0.213 0.000 1.032 425 S CA 1.656 59.925 58.200 0.115 0.000 1.005 425 S CB -0.150 63.082 63.200 0.053 0.000 0.867 425 S HN 0.434 nan 8.310 nan 0.000 0.449 426 N N 1.327 120.104 118.700 0.128 0.000 2.142 426 N HA 0.074 4.814 4.740 -0.000 0.000 0.186 426 N C 1.664 177.206 175.510 0.054 0.000 1.023 426 N CA 0.982 54.090 53.050 0.098 0.000 0.852 426 N CB -0.571 37.956 38.487 0.067 0.000 0.998 426 N HN 0.408 nan 8.380 nan 0.000 0.424 427 L N 0.640 121.890 121.223 0.045 0.000 2.376 427 L HA -0.039 4.301 4.340 -0.000 0.000 0.219 427 L C 1.656 178.523 176.870 -0.004 0.000 1.133 427 L CA 1.056 55.902 54.840 0.010 0.000 0.816 427 L CB -0.547 41.514 42.059 0.004 0.000 0.933 427 L HN 0.281 nan 8.230 nan 0.000 0.449 428 T N -4.792 109.786 114.554 0.040 0.000 3.086 428 T HA 0.010 4.360 4.350 -0.000 0.000 0.250 428 T C 0.766 175.404 174.700 -0.105 0.000 1.074 428 T CA -0.397 61.716 62.100 0.023 0.000 0.988 428 T CB -0.604 68.334 68.868 0.117 0.000 0.988 428 T HN 0.237 nan 8.240 nan 0.000 0.530 429 C N 3.608 122.782 119.300 -0.210 0.000 2.619 429 C HA 0.277 4.737 4.460 -0.000 0.000 0.389 429 C C 0.961 175.813 174.990 -0.229 0.000 1.314 429 C CA -0.416 58.322 59.018 -0.468 0.000 1.678 429 C CB -2.078 25.485 27.740 -0.295 0.000 2.398 429 C HN 0.728 nan 8.230 nan 0.000 0.582 430 N N 3.062 121.641 118.700 -0.201 0.000 2.693 430 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 430 N C -0.653 174.836 175.510 -0.034 0.000 1.119 430 N CA 1.226 54.233 53.050 -0.072 0.000 0.717 430 N CB -1.240 37.215 38.487 -0.053 0.000 1.071 430 N HN 0.906 nan 8.380 nan 0.000 0.555 431 N N 0.417 119.084 118.700 -0.055 0.000 2.623 431 N HA 0.092 4.832 4.740 -0.000 0.000 0.256 431 N C 0.938 176.393 175.510 -0.091 0.000 1.045 431 N CA -0.492 52.501 53.050 -0.096 0.000 0.863 431 N CB 0.450 38.864 38.487 -0.122 0.000 1.182 431 N HN 0.201 nan 8.380 nan 0.000 0.523 432 Y N 3.049 123.332 120.300 -0.029 0.000 2.352 432 Y HA 0.124 4.674 4.550 -0.000 0.000 0.292 432 Y C 1.534 177.401 175.900 -0.054 0.000 1.136 432 Y CA 0.896 58.981 58.100 -0.025 0.000 1.227 432 Y CB -0.004 38.480 38.460 0.040 0.000 0.991 432 Y HN 0.147 nan 8.280 nan 0.000 0.545 433 K N 0.985 121.032 120.400 -0.588 0.000 2.057 433 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 433 K C 1.515 178.013 176.600 -0.169 0.000 1.050 433 K CA 1.214 57.296 56.287 -0.341 0.000 0.935 433 K CB -0.516 31.731 32.500 -0.421 0.000 0.715 433 K HN 0.424 nan 8.250 nan 0.000 0.439 434 N N 1.203 119.800 118.700 -0.171 0.000 2.188 434 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 434 N C 1.619 177.060 175.510 -0.116 0.000 1.018 434 N CA 1.013 53.995 53.050 -0.112 0.000 0.858 434 N CB -0.087 38.345 38.487 -0.092 0.000 0.989 434 N HN 0.251 nan 8.380 nan 0.000 0.426 435 K N 0.158 120.458 120.400 -0.167 0.000 2.026 435 K HA -0.012 4.308 4.320 -0.000 0.000 0.208 435 K C 1.926 178.322 176.600 -0.340 0.000 1.048 435 K CA 0.929 57.037 56.287 -0.298 0.000 0.929 435 K CB -0.078 32.108 32.500 -0.523 0.000 0.713 435 K HN 0.121 nan 8.250 nan 0.000 0.439 436 M N 0.158 119.618 119.600 -0.234 0.000 2.086 436 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 436 M C 2.374 178.660 176.300 -0.023 0.000 1.067 436 M CA 1.454 56.722 55.300 -0.053 0.000 1.116 436 M CB -0.664 31.981 32.600 0.074 0.000 1.348 436 M HN 0.201 nan 8.290 nan 0.000 0.407 437 M N 0.454 120.031 119.600 -0.039 0.000 2.065 437 M HA -0.115 4.365 4.480 -0.000 0.000 0.259 437 M C 2.005 178.293 176.300 -0.021 0.000 1.069 437 M CA 1.748 57.033 55.300 -0.025 0.000 1.110 437 M CB -0.807 31.771 32.600 -0.036 0.000 1.328 437 M HN 0.029 nan 8.290 nan 0.000 0.405 438 V N -0.740 119.152 119.914 -0.036 0.000 2.343 438 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 438 V C 2.514 178.605 176.094 -0.004 0.000 1.051 438 V CA 1.934 64.221 62.300 -0.022 0.000 1.036 438 V CB -1.106 30.702 31.823 -0.025 0.000 0.654 438 V HN 0.666 nan 8.190 nan 0.000 0.451 439 C N -0.808 118.494 119.300 0.003 0.000 2.446 439 C HA -0.169 4.291 4.460 -0.000 0.000 0.277 439 C C 2.840 177.856 174.990 0.044 0.000 1.275 439 C CA 1.318 60.365 59.018 0.048 0.000 1.727 439 C CB -0.905 26.906 27.740 0.117 0.000 2.010 439 C HN 0.661 nan 8.230 nan 0.000 0.486 440 Q N 0.914 120.736 119.800 0.037 0.000 2.112 440 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 440 Q C 1.810 177.822 176.000 0.020 0.000 0.987 440 Q CA 2.378 58.201 55.803 0.032 0.000 0.858 440 Q CB -0.043 28.711 28.738 0.026 0.000 0.905 440 Q HN 0.665 nan 8.270 nan 0.000 0.420 441 V N -3.023 116.896 119.914 0.010 0.000 3.620 441 V HA 0.384 4.504 4.120 -0.000 0.000 0.286 441 V C 0.835 176.928 176.094 -0.003 0.000 1.288 441 V CA 0.620 62.922 62.300 0.002 0.000 1.178 441 V CB -0.373 31.447 31.823 -0.005 0.000 0.986 441 V HN 0.447 nan 8.190 nan 0.000 0.431 442 G N -0.390 108.412 108.800 0.003 0.000 2.142 442 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.225 442 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.225 442 G C 0.858 175.742 174.900 -0.026 0.000 1.015 442 G CA 0.189 45.282 45.100 -0.011 0.000 0.716 442 G HN 1.120 nan 8.290 nan 0.000 0.508 443 G N 0.302 109.098 108.800 -0.008 0.000 2.440 443 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.218 443 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.218 443 G C 1.768 176.662 174.900 -0.010 0.000 1.154 443 G CA 1.428 46.523 45.100 -0.010 0.000 0.767 443 G HN 0.490 nan 8.290 nan 0.000 0.552 444 I N 1.155 121.730 120.570 0.008 0.000 2.127 444 I HA -0.171 3.999 4.170 -0.000 0.000 0.241 444 I C 2.546 178.646 176.117 -0.028 0.000 1.075 444 I CA 1.693 63.007 61.300 0.022 0.000 1.334 444 I CB -1.210 36.833 38.000 0.071 0.000 1.040 444 I HN 0.398 nan 8.210 nan 0.000 0.405 445 E N 1.014 121.135 120.200 -0.131 0.000 2.085 445 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 445 E C 2.253 178.740 176.600 -0.188 0.000 0.994 445 E CA 1.598 57.774 56.400 -0.373 0.000 0.801 445 E CB 0.047 29.309 29.700 -0.730 0.000 0.743 445 E HN 0.447 nan 8.360 nan 0.000 0.453 446 A N 0.861 123.612 122.820 -0.114 0.000 1.898 446 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 446 A C 2.200 179.762 177.584 -0.037 0.000 1.181 446 A CA 1.028 53.025 52.037 -0.067 0.000 0.620 446 A CB -0.577 18.394 19.000 -0.049 0.000 0.819 446 A HN 0.316 nan 8.150 nan 0.000 0.442 447 L N -0.637 120.571 121.223 -0.025 0.000 2.093 447 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 447 L C 2.527 179.399 176.870 0.004 0.000 1.085 447 L CA 0.913 55.749 54.840 -0.007 0.000 0.755 447 L CB -0.452 41.607 42.059 0.001 0.000 0.904 447 L HN 0.244 nan 8.230 nan 0.000 0.435 448 V N -0.226 119.693 119.914 0.008 0.000 2.295 448 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 448 V C 2.685 178.799 176.094 0.034 0.000 1.049 448 V CA 1.789 64.111 62.300 0.035 0.000 1.024 448 V CB -0.532 31.333 31.823 0.070 0.000 0.648 448 V HN 0.404 nan 8.190 nan 0.000 0.447 449 R N 0.440 120.948 120.500 0.013 0.000 2.096 449 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 449 R C 2.282 178.589 176.300 0.011 0.000 1.127 449 R CA 2.310 58.419 56.100 0.016 0.000 0.968 449 R CB -1.276 29.021 30.300 -0.005 0.000 0.861 449 R HN 0.514 nan 8.270 nan 0.000 0.440 450 T N -0.105 114.451 114.554 0.004 0.000 2.684 450 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 450 T C 1.774 176.481 174.700 0.013 0.000 1.036 450 T CA 1.747 63.849 62.100 0.004 0.000 1.148 450 T CB -0.322 68.546 68.868 -0.000 0.000 0.863 450 T HN 0.036 nan 8.240 nan 0.000 0.436 451 V N 1.426 121.351 119.914 0.018 0.000 2.343 451 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 451 V C 2.481 178.592 176.094 0.027 0.000 1.051 451 V CA 1.497 63.812 62.300 0.025 0.000 1.036 451 V CB -0.693 31.148 31.823 0.030 0.000 0.654 451 V HN 0.434 nan 8.190 nan 0.000 0.451 452 L N -0.638 120.604 121.223 0.032 0.000 2.046 452 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 452 L C 2.737 179.619 176.870 0.020 0.000 1.077 452 L CA 1.647 56.506 54.840 0.031 0.000 0.747 452 L CB -0.547 41.536 42.059 0.042 0.000 0.896 452 L HN 0.218 nan 8.230 nan 0.000 0.432 453 R N -0.312 120.198 120.500 0.016 0.000 2.148 453 R HA -0.022 4.318 4.340 -0.000 0.000 0.223 453 R C 2.374 178.680 176.300 0.011 0.000 1.088 453 R CA 0.973 57.079 56.100 0.010 0.000 0.985 453 R CB -0.307 29.996 30.300 0.006 0.000 0.880 453 R HN 0.320 nan 8.270 nan 0.000 0.451 454 A N 0.855 123.684 122.820 0.015 0.000 1.968 454 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 454 A C 1.467 179.062 177.584 0.019 0.000 1.169 454 A CA 1.276 53.324 52.037 0.017 0.000 0.638 454 A CB -0.604 18.408 19.000 0.020 0.000 0.812 454 A HN 0.459 nan 8.150 nan 0.000 0.446 455 G N -0.210 108.601 108.800 0.018 0.000 2.561 455 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.289 455 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.289 455 G C 0.228 175.141 174.900 0.022 0.000 1.169 455 G CA 0.444 45.554 45.100 0.017 0.000 0.980 455 G HN 0.376 nan 8.290 nan 0.000 0.550 456 D N 1.717 122.130 120.400 0.022 0.000 2.319 456 D HA 0.095 4.735 4.640 -0.000 0.000 0.230 456 D C 1.179 177.503 176.300 0.041 0.000 1.094 456 D CA 0.157 54.175 54.000 0.030 0.000 0.856 456 D CB 0.023 40.839 40.800 0.026 0.000 0.915 456 D HN 0.348 nan 8.370 nan 0.000 0.517 457 R N 1.402 121.924 120.500 0.036 0.000 2.351 457 R HA 0.106 4.446 4.340 -0.000 0.000 0.321 457 R C 0.891 177.217 176.300 0.043 0.000 1.182 457 R CA 0.055 56.178 56.100 0.039 0.000 1.011 457 R CB 0.348 30.668 30.300 0.034 0.000 1.048 457 R HN 0.185 nan 8.270 nan 0.000 0.490 458 E N 1.127 121.358 120.200 0.052 0.000 2.268 458 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 458 E C 0.502 177.129 176.600 0.045 0.000 0.995 458 E CA 0.732 57.164 56.400 0.054 0.000 0.836 458 E CB 0.222 29.967 29.700 0.075 0.000 0.763 458 E HN 0.487 nan 8.360 nan 0.000 0.491 459 D N 0.214 120.639 120.400 0.043 0.000 2.310 459 D HA -0.067 4.573 4.640 -0.000 0.000 0.212 459 D C 1.648 177.977 176.300 0.049 0.000 0.965 459 D CA 0.796 54.824 54.000 0.048 0.000 0.879 459 D CB 0.185 41.019 40.800 0.056 0.000 0.921 459 D HN 0.279 nan 8.370 nan 0.000 0.510 460 I N 0.062 120.657 120.570 0.041 0.000 2.899 460 I HA -0.121 4.049 4.170 -0.000 0.000 0.257 460 I C 2.396 178.529 176.117 0.028 0.000 1.115 460 I CA 0.863 62.182 61.300 0.032 0.000 1.451 460 I CB -0.283 37.733 38.000 0.027 0.000 1.251 460 I HN -0.037 nan 8.210 nan 0.000 0.456 461 T N -1.335 113.237 114.554 0.030 0.000 2.788 461 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 461 T C 1.646 176.361 174.700 0.025 0.000 1.044 461 T CA 1.479 63.595 62.100 0.028 0.000 1.139 461 T CB -0.387 68.500 68.868 0.032 0.000 0.867 461 T HN 0.370 nan 8.240 nan 0.000 0.454 462 E N 2.246 122.465 120.200 0.032 0.000 2.031 462 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 462 E C -0.284 176.324 176.600 0.013 0.000 0.994 462 E CA 1.304 57.723 56.400 0.031 0.000 0.800 462 E CB -0.562 29.164 29.700 0.043 0.000 0.752 462 E HN 0.469 nan 8.360 nan 0.000 0.447 463 P HA -0.062 nan 4.420 nan 0.000 0.220 463 P C 1.080 178.369 177.300 -0.017 0.000 1.152 463 P CA 1.602 64.705 63.100 0.005 0.000 0.812 463 P CB 0.046 31.762 31.700 0.027 0.000 0.792 464 A N 0.810 123.627 122.820 -0.005 0.000 1.858 464 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 464 A C 2.300 179.870 177.584 -0.024 0.000 1.190 464 A CA 1.483 53.514 52.037 -0.009 0.000 0.617 464 A CB -1.470 17.532 19.000 0.004 0.000 0.827 464 A HN 0.021 nan 8.150 nan 0.000 0.443 465 I N -0.062 120.497 120.570 -0.018 0.000 2.286 465 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 465 I C 2.586 178.658 176.117 -0.076 0.000 1.115 465 I CA 1.074 62.360 61.300 -0.023 0.000 1.392 465 I CB -1.534 36.467 38.000 0.002 0.000 1.065 465 I HN 0.384 nan 8.210 nan 0.000 0.418 466 C N 0.732 119.962 119.300 -0.117 0.000 2.429 466 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 466 C C 3.150 177.831 174.990 -0.515 0.000 1.262 466 C CA 0.824 59.671 59.018 -0.284 0.000 1.733 466 C CB -1.194 26.408 27.740 -0.231 0.000 2.010 466 C HN 0.591 nan 8.230 nan 0.000 0.483 467 A N 0.455 123.115 122.820 -0.267 0.000 1.883 467 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 467 A C 2.105 179.645 177.584 -0.073 0.000 1.186 467 A CA 1.567 53.517 52.037 -0.144 0.000 0.624 467 A CB -0.664 18.319 19.000 -0.029 0.000 0.822 467 A HN 0.609 nan 8.150 nan 0.000 0.444 468 L N -1.135 120.057 121.223 -0.052 0.000 2.083 468 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 468 L C 2.814 179.694 176.870 0.017 0.000 1.083 468 L CA 1.759 56.601 54.840 0.003 0.000 0.752 468 L CB -0.442 41.623 42.059 0.009 0.000 0.899 468 L HN 0.472 nan 8.230 nan 0.000 0.433 469 R N -0.413 120.065 120.500 -0.036 0.000 2.073 469 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 469 R C 2.281 178.647 176.300 0.111 0.000 1.134 469 R CA 1.843 57.951 56.100 0.013 0.000 0.952 469 R CB -0.357 29.927 30.300 -0.027 0.000 0.850 469 R HN 0.487 nan 8.270 nan 0.000 0.433 470 H N -0.148 118.960 119.070 0.063 0.000 2.387 470 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 470 H C 1.972 177.356 175.328 0.094 0.000 1.099 470 H CA 1.291 57.379 56.048 0.067 0.000 1.315 470 H CB 0.018 29.805 29.762 0.043 0.000 1.380 470 H HN 0.204 nan 8.280 nan 0.000 0.513 471 L N 0.703 122.050 121.223 0.207 0.000 2.552 471 L HA -0.031 4.309 4.340 -0.000 0.000 0.227 471 L C 1.383 178.433 176.870 0.301 0.000 1.146 471 L CA 0.779 55.741 54.840 0.204 0.000 0.858 471 L CB 0.041 42.174 42.059 0.124 0.000 0.969 471 L HN 0.357 nan 8.230 nan 0.000 0.451 472 T N -4.093 110.581 114.554 0.199 0.000 3.214 472 T HA 0.263 4.613 4.350 -0.000 0.000 0.264 472 T C 0.323 175.081 174.700 0.096 0.000 1.012 472 T CA -0.082 62.096 62.100 0.129 0.000 0.901 472 T CB -0.031 68.886 68.868 0.082 0.000 1.070 472 T HN 0.212 nan 8.240 nan 0.000 0.561 473 S N 0.566 116.358 115.700 0.154 0.000 2.552 473 S HA 0.568 5.038 4.470 -0.000 0.000 0.272 473 S C -0.473 174.224 174.600 0.161 0.000 1.150 473 S CA -1.181 57.082 58.200 0.104 0.000 0.849 473 S CB 1.410 64.668 63.200 0.096 0.000 1.113 473 S HN 0.318 nan 8.310 nan 0.000 0.458 474 R N 1.327 121.876 120.500 0.081 0.000 3.423 474 R HA -0.155 4.185 4.340 -0.000 0.000 0.271 474 R C -0.179 176.227 176.300 0.177 0.000 1.093 474 R CA 1.556 57.713 56.100 0.095 0.000 0.730 474 R CB -2.734 27.628 30.300 0.103 0.000 1.190 474 R HN 1.068 nan 8.270 nan 0.000 0.437 475 H N -3.063 116.023 119.070 0.027 0.000 3.037 475 H HA 0.106 4.662 4.556 -0.000 0.000 0.336 475 H C 0.173 175.508 175.328 0.011 0.000 1.323 475 H CA -0.657 55.410 56.048 0.032 0.000 1.159 475 H CB 1.003 30.831 29.762 0.110 0.000 1.882 475 H HN 0.009 nan 8.280 nan 0.000 0.535 476 Q N -0.198 119.633 119.800 0.052 0.000 2.156 476 Q HA -0.174 4.166 4.340 -0.000 0.000 0.211 476 Q C 0.257 176.190 176.000 -0.111 0.000 0.995 476 Q CA 2.222 58.012 55.803 -0.021 0.000 0.877 476 Q CB 0.194 28.968 28.738 0.059 0.000 0.920 476 Q HN 0.542 nan 8.270 nan 0.000 0.416 477 E N -1.047 119.086 120.200 -0.112 0.000 2.423 477 E HA 0.135 4.485 4.350 -0.000 0.000 0.198 477 E C 0.787 177.175 176.600 -0.352 0.000 1.038 477 E CA 0.383 56.713 56.400 -0.116 0.000 1.011 477 E CB 0.619 30.408 29.700 0.147 0.000 1.118 477 E HN 0.395 nan 8.360 nan 0.000 0.451 478 A N 0.983 123.339 122.820 -0.773 0.000 1.902 478 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 478 A C 2.149 179.633 177.584 -0.166 0.000 1.181 478 A CA 1.645 53.390 52.037 -0.486 0.000 0.623 478 A CB -0.237 18.526 19.000 -0.395 0.000 0.818 478 A HN 0.327 nan 8.150 nan 0.000 0.443 479 E N -0.627 119.486 120.200 -0.145 0.000 2.077 479 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 479 E C 2.012 178.581 176.600 -0.053 0.000 0.989 479 E CA 1.543 57.895 56.400 -0.080 0.000 0.800 479 E CB -0.243 29.413 29.700 -0.073 0.000 0.746 479 E HN 0.645 nan 8.360 nan 0.000 0.452 480 M N 0.248 119.821 119.600 -0.045 0.000 2.159 480 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 480 M C 2.194 178.500 176.300 0.010 0.000 1.063 480 M CA 1.817 57.109 55.300 -0.013 0.000 1.110 480 M CB -0.078 32.526 32.600 0.007 0.000 1.374 480 M HN 0.235 nan 8.290 nan 0.000 0.411 481 A N 0.152 122.988 122.820 0.026 0.000 1.877 481 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 481 A C 1.895 179.502 177.584 0.039 0.000 1.186 481 A CA 1.941 54.016 52.037 0.064 0.000 0.620 481 A CB -0.839 18.235 19.000 0.123 0.000 0.822 481 A HN 0.709 nan 8.150 nan 0.000 0.443 482 Q N -0.219 119.588 119.800 0.013 0.000 2.124 482 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 482 Q C 1.910 177.902 176.000 -0.013 0.000 0.977 482 Q CA 1.476 57.281 55.803 0.004 0.000 0.850 482 Q CB -0.194 28.538 28.738 -0.011 0.000 0.901 482 Q HN 0.634 nan 8.270 nan 0.000 0.429 483 N N 0.201 118.885 118.700 -0.027 0.000 2.171 483 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 483 N C 1.713 177.187 175.510 -0.059 0.000 1.021 483 N CA 1.209 54.229 53.050 -0.051 0.000 0.854 483 N CB -0.153 38.301 38.487 -0.055 0.000 0.994 483 N HN 0.226 nan 8.380 nan 0.000 0.426 484 A N 1.045 123.853 122.820 -0.019 0.000 1.940 484 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 484 A C 2.517 180.123 177.584 0.036 0.000 1.176 484 A CA 1.154 53.198 52.037 0.012 0.000 0.631 484 A CB -0.749 18.320 19.000 0.114 0.000 0.814 484 A HN 0.102 nan 8.150 nan 0.000 0.446 485 V N -0.039 119.896 119.914 0.037 0.000 2.332 485 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 485 V C 2.662 178.744 176.094 -0.020 0.000 1.055 485 V CA 2.392 64.717 62.300 0.042 0.000 1.038 485 V CB -0.770 31.075 31.823 0.037 0.000 0.651 485 V HN 0.681 nan 8.190 nan 0.000 0.450 486 R N -0.165 120.293 120.500 -0.070 0.000 2.066 486 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 486 R C 2.301 178.433 176.300 -0.280 0.000 1.131 486 R CA 1.498 57.524 56.100 -0.123 0.000 0.955 486 R CB -0.287 29.952 30.300 -0.101 0.000 0.851 486 R HN 0.451 nan 8.270 nan 0.000 0.432 487 L N -0.006 121.012 121.223 -0.341 0.000 2.187 487 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 487 L C 1.339 177.694 176.870 -0.859 0.000 1.100 487 L CA 0.976 55.475 54.840 -0.569 0.000 0.765 487 L CB -0.451 41.281 42.059 -0.545 0.000 0.904 487 L HN 0.341 nan 8.230 nan 0.000 0.437 488 H N -1.179 117.695 119.070 -0.326 0.000 2.524 488 H HA 0.116 4.672 4.556 -0.000 0.000 0.299 488 H C -0.250 175.028 175.328 -0.082 0.000 1.074 488 H CA -0.429 55.492 56.048 -0.212 0.000 1.115 488 H CB -0.171 29.570 29.762 -0.036 0.000 1.522 488 H HN 0.276 nan 8.280 nan 0.000 0.543 489 Y N -0.797 119.538 120.300 0.057 0.000 3.589 489 Y HA -0.259 4.290 4.550 -0.000 0.000 0.218 489 Y C 1.817 177.746 175.900 0.049 0.000 1.234 489 Y CA 0.438 58.563 58.100 0.042 0.000 1.576 489 Y CB -1.751 36.732 38.460 0.039 0.000 1.487 489 Y HN 0.398 nan 8.280 nan 0.000 0.616 490 G N -0.445 108.416 108.800 0.102 0.000 2.603 490 G HA2 0.014 3.974 3.960 -0.000 0.000 0.214 490 G HA3 0.014 3.974 3.960 -0.000 0.000 0.214 490 G C 1.412 176.355 174.900 0.072 0.000 1.140 490 G CA 0.603 45.758 45.100 0.091 0.000 0.800 490 G HN 0.441 nan 8.290 nan 0.000 0.533 491 L N 0.770 122.027 121.223 0.057 0.000 2.012 491 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 491 L C 0.044 176.952 176.870 0.064 0.000 1.073 491 L CA 1.362 56.234 54.840 0.053 0.000 0.748 491 L CB -1.287 40.796 42.059 0.040 0.000 0.891 491 L HN 0.158 nan 8.230 nan 0.000 0.431 492 P HA -0.159 nan 4.420 nan 0.000 0.216 492 P C 1.974 179.309 177.300 0.058 0.000 1.153 492 P CA 1.122 64.260 63.100 0.063 0.000 0.848 492 P CB 0.066 31.805 31.700 0.065 0.000 0.787 493 V N -0.457 119.494 119.914 0.063 0.000 2.427 493 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 493 V C 2.147 178.277 176.094 0.059 0.000 1.051 493 V CA 1.655 63.988 62.300 0.054 0.000 1.048 493 V CB -0.867 30.989 31.823 0.055 0.000 0.666 493 V HN -0.113 nan 8.190 nan 0.000 0.456 494 V N -0.101 119.849 119.914 0.061 0.000 2.287 494 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 494 V C 2.483 178.620 176.094 0.071 0.000 1.053 494 V CA 2.265 64.600 62.300 0.059 0.000 1.027 494 V CB -0.518 31.337 31.823 0.054 0.000 0.646 494 V HN 0.460 nan 8.190 nan 0.000 0.447 495 V N -0.039 119.924 119.914 0.081 0.000 2.515 495 V HA -0.256 3.864 4.120 -0.000 0.000 0.250 495 V C 2.389 178.592 176.094 0.181 0.000 1.058 495 V CA 2.178 64.545 62.300 0.111 0.000 1.064 495 V CB -0.713 31.175 31.823 0.108 0.000 0.675 495 V HN 0.586 nan 8.190 nan 0.000 0.461 496 K N 0.328 120.808 120.400 0.133 0.000 2.097 496 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 496 K C 1.951 178.668 176.600 0.196 0.000 1.049 496 K CA 1.417 57.783 56.287 0.132 0.000 0.933 496 K CB -0.225 32.294 32.500 0.032 0.000 0.717 496 K HN 0.416 nan 8.250 nan 0.000 0.442 497 L N 1.292 122.584 121.223 0.114 0.000 2.549 497 L HA -0.107 4.233 4.340 -0.000 0.000 0.230 497 L C 1.769 178.666 176.870 0.046 0.000 1.162 497 L CA 0.336 55.219 54.840 0.073 0.000 0.834 497 L CB -0.186 41.903 42.059 0.049 0.000 0.947 497 L HN 0.263 nan 8.230 nan 0.000 0.452 498 L N -1.475 119.780 121.223 0.054 0.000 2.492 498 L HA -0.014 4.326 4.340 -0.000 0.000 0.223 498 L C 0.479 177.193 176.870 -0.261 0.000 1.132 498 L CA 0.045 54.815 54.840 -0.117 0.000 0.850 498 L CB -0.326 41.617 42.059 -0.193 0.000 0.966 498 L HN 0.319 nan 8.230 nan 0.000 0.454 499 H N -1.636 117.392 119.070 -0.070 0.000 2.544 499 H HA 0.356 4.912 4.556 -0.000 0.000 0.342 499 H C -2.192 173.060 175.328 -0.127 0.000 1.185 499 H CA -2.233 53.759 56.048 -0.092 0.000 1.264 499 H CB 0.073 29.799 29.762 -0.060 0.000 1.607 499 H HN -0.231 nan 8.280 nan 0.000 0.550 500 P HA -0.010 nan 4.420 nan 0.000 0.269 500 P C -1.788 175.478 177.300 -0.056 0.000 1.217 500 P CA -0.884 62.154 63.100 -0.105 0.000 0.783 500 P CB 0.234 31.873 31.700 -0.102 0.000 0.898 501 P HA 0.044 nan 4.420 nan 0.000 0.249 501 P C -0.392 176.751 177.300 -0.262 0.000 1.241 501 P CA 0.395 63.398 63.100 -0.161 0.000 0.781 501 P CB -0.047 31.605 31.700 -0.080 0.000 1.088 502 S N 0.469 116.063 115.700 -0.176 0.000 2.558 502 S HA -0.001 4.469 4.470 -0.000 0.000 0.293 502 S C 0.339 174.741 174.600 -0.331 0.000 1.292 502 S CA 0.252 58.361 58.200 -0.153 0.000 1.063 502 S CB -0.196 62.947 63.200 -0.095 0.000 0.831 502 S HN 0.324 nan 8.310 nan 0.000 0.499 503 H N 0.007 119.002 119.070 -0.125 0.000 2.523 503 H HA 0.264 4.820 4.556 -0.000 0.000 0.345 503 H C 0.513 175.761 175.328 -0.133 0.000 1.261 503 H CA -0.648 55.303 56.048 -0.162 0.000 1.343 503 H CB 0.329 30.070 29.762 -0.035 0.000 1.650 503 H HN 0.757 nan 8.280 nan 0.000 0.591 504 W N 0.404 121.793 121.300 0.148 0.000 2.321 504 W HA -0.114 4.546 4.660 -0.000 0.000 0.306 504 W C -0.749 175.813 176.519 0.072 0.000 1.217 504 W CA 0.878 58.273 57.345 0.082 0.000 1.257 504 W CB -1.362 28.140 29.460 0.069 0.000 1.145 504 W HN 0.599 nan 8.180 nan 0.000 0.509 505 P HA -0.226 nan 4.420 nan 0.000 0.215 505 P C 1.722 179.112 177.300 0.150 0.000 1.157 505 P CA 1.409 64.624 63.100 0.192 0.000 0.868 505 P CB -0.295 31.489 31.700 0.139 0.000 0.788 506 L N -0.762 120.539 121.223 0.130 0.000 2.056 506 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 506 L C 2.164 179.082 176.870 0.081 0.000 1.078 506 L CA 1.699 56.592 54.840 0.088 0.000 0.749 506 L CB -1.211 40.893 42.059 0.074 0.000 0.901 506 L HN -0.119 nan 8.230 nan 0.000 0.433 507 I N -0.342 120.280 120.570 0.086 0.000 2.208 507 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 507 I C 2.578 178.780 176.117 0.141 0.000 1.097 507 I CA 1.687 63.034 61.300 0.079 0.000 1.363 507 I CB -0.470 37.550 38.000 0.032 0.000 1.051 507 I HN 0.357 nan 8.210 nan 0.000 0.413 508 K N 1.416 121.933 120.400 0.195 0.000 2.057 508 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 508 K C 2.206 178.869 176.600 0.106 0.000 1.049 508 K CA 1.560 57.944 56.287 0.162 0.000 0.931 508 K CB -0.092 32.503 32.500 0.159 0.000 0.714 508 K HN 0.286 nan 8.250 nan 0.000 0.440 509 A N 0.540 123.413 122.820 0.088 0.000 1.898 509 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 509 A C 2.170 179.782 177.584 0.047 0.000 1.181 509 A CA 2.078 54.148 52.037 0.055 0.000 0.620 509 A CB -0.961 18.060 19.000 0.035 0.000 0.819 509 A HN 0.436 nan 8.150 nan 0.000 0.442 510 T N -0.241 114.344 114.554 0.052 0.000 2.746 510 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 510 T C 1.878 176.609 174.700 0.051 0.000 1.039 510 T CA 1.567 63.694 62.100 0.046 0.000 1.142 510 T CB -0.415 68.478 68.868 0.042 0.000 0.866 510 T HN 0.157 nan 8.240 nan 0.000 0.444 511 V N 1.450 121.402 119.914 0.064 0.000 2.343 511 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 511 V C 2.871 179.002 176.094 0.062 0.000 1.051 511 V CA 1.988 64.328 62.300 0.066 0.000 1.036 511 V CB -1.394 30.480 31.823 0.085 0.000 0.654 511 V HN 0.593 nan 8.190 nan 0.000 0.451 512 G N -0.019 108.820 108.800 0.064 0.000 2.446 512 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 512 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 512 G C 1.584 176.517 174.900 0.055 0.000 1.168 512 G CA 1.229 46.366 45.100 0.062 0.000 0.771 512 G HN 0.443 nan 8.290 nan 0.000 0.551 513 L N 0.839 122.090 121.223 0.046 0.000 2.017 513 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 513 L C 2.668 179.566 176.870 0.046 0.000 1.073 513 L CA 1.387 56.252 54.840 0.042 0.000 0.745 513 L CB -0.526 41.552 42.059 0.032 0.000 0.894 513 L HN 0.283 nan 8.230 nan 0.000 0.432 514 I N -0.640 119.958 120.570 0.047 0.000 2.208 514 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 514 I C 2.638 178.782 176.117 0.046 0.000 1.097 514 I CA 1.325 62.653 61.300 0.048 0.000 1.363 514 I CB -0.316 37.714 38.000 0.049 0.000 1.051 514 I HN 0.285 nan 8.210 nan 0.000 0.413 515 R N 0.551 121.077 120.500 0.044 0.000 2.103 515 R HA -0.191 4.149 4.340 -0.000 0.000 0.242 515 R C 2.066 178.385 176.300 0.032 0.000 1.142 515 R CA 1.728 57.849 56.100 0.034 0.000 0.960 515 R CB -0.511 29.813 30.300 0.040 0.000 0.858 515 R HN 0.421 nan 8.270 nan 0.000 0.439 516 N N 0.640 119.364 118.700 0.041 0.000 2.171 516 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 516 N C 1.872 177.404 175.510 0.036 0.000 1.021 516 N CA 0.976 54.050 53.050 0.040 0.000 0.854 516 N CB -0.181 38.338 38.487 0.053 0.000 0.994 516 N HN 0.177 nan 8.380 nan 0.000 0.426 517 L N 0.590 121.838 121.223 0.041 0.000 2.131 517 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 517 L C 2.110 179.012 176.870 0.053 0.000 1.092 517 L CA 0.943 55.806 54.840 0.039 0.000 0.759 517 L CB -0.476 41.608 42.059 0.041 0.000 0.903 517 L HN 0.106 nan 8.230 nan 0.000 0.435 518 A N -0.207 122.659 122.820 0.077 0.000 2.216 518 A HA -0.055 4.265 4.320 -0.000 0.000 0.214 518 A C 2.168 179.862 177.584 0.184 0.000 1.160 518 A CA 0.810 52.937 52.037 0.149 0.000 0.725 518 A CB -0.527 18.522 19.000 0.082 0.000 0.784 518 A HN 0.398 nan 8.150 nan 0.000 0.472 519 L N -1.088 120.183 121.223 0.080 0.000 2.291 519 L HA -0.069 4.271 4.340 -0.000 0.000 0.214 519 L C 1.325 178.202 176.870 0.012 0.000 1.120 519 L CA 0.095 54.968 54.840 0.054 0.000 0.799 519 L CB -0.419 41.647 42.059 0.012 0.000 0.925 519 L HN 0.536 nan 8.230 nan 0.000 0.446 520 C N 1.319 120.595 119.300 -0.039 0.000 2.281 520 C HA 0.277 4.737 4.460 -0.000 0.000 0.336 520 C C -0.672 174.107 174.990 -0.352 0.000 1.217 520 C CA -1.840 57.100 59.018 -0.131 0.000 1.730 520 C CB 0.543 28.230 27.740 -0.089 0.000 2.338 520 C HN 0.102 nan 8.230 nan 0.000 0.521 521 P HA -0.148 nan 4.420 nan 0.000 0.217 521 P C 1.377 178.354 177.300 -0.538 0.000 1.151 521 P CA 2.316 64.931 63.100 -0.809 0.000 0.849 521 P CB 0.078 31.585 31.700 -0.322 0.000 0.787 522 A N -1.230 121.429 122.820 -0.269 0.000 2.216 522 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 522 A C 1.772 179.291 177.584 -0.108 0.000 1.160 522 A CA 1.331 53.281 52.037 -0.146 0.000 0.725 522 A CB -0.948 17.990 19.000 -0.104 0.000 0.784 522 A HN 0.153 nan 8.150 nan 0.000 0.472 523 N N -1.156 117.464 118.700 -0.132 0.000 2.282 523 N HA 0.068 4.808 4.740 -0.000 0.000 0.185 523 N C 1.086 176.650 175.510 0.090 0.000 1.099 523 N CA 0.320 53.358 53.050 -0.019 0.000 0.878 523 N CB -0.340 38.147 38.487 -0.000 0.000 0.993 523 N HN 0.735 nan 8.380 nan 0.000 0.481 524 H N 0.621 119.697 119.070 0.010 0.000 2.290 524 H HA -0.063 4.493 4.556 -0.000 0.000 0.298 524 H C 1.879 177.226 175.328 0.032 0.000 1.087 524 H CA 1.470 57.531 56.048 0.022 0.000 1.291 524 H CB 0.279 30.057 29.762 0.026 0.000 1.369 524 H HN 0.211 nan 8.280 nan 0.000 0.492 525 A N 1.045 123.964 122.820 0.164 0.000 1.898 525 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 525 A C -0.235 177.385 177.584 0.062 0.000 1.181 525 A CA 1.082 53.175 52.037 0.094 0.000 0.620 525 A CB -1.168 17.868 19.000 0.059 0.000 0.819 525 A HN 0.297 nan 8.150 nan 0.000 0.442 526 P HA -0.126 nan 4.420 nan 0.000 0.215 526 P C 1.470 178.800 177.300 0.050 0.000 1.153 526 P CA 0.824 63.947 63.100 0.039 0.000 0.853 526 P CB -0.122 31.592 31.700 0.024 0.000 0.788 527 L N -1.075 120.187 121.223 0.065 0.000 2.083 527 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 527 L C 2.820 179.727 176.870 0.063 0.000 1.083 527 L CA 1.420 56.300 54.840 0.067 0.000 0.752 527 L CB -0.537 41.569 42.059 0.078 0.000 0.899 527 L HN -0.093 nan 8.230 nan 0.000 0.433 528 R N 0.520 121.059 120.500 0.065 0.000 2.062 528 R HA -0.194 4.146 4.340 -0.000 0.000 0.231 528 R C 2.411 178.738 176.300 0.046 0.000 1.136 528 R CA 1.871 58.005 56.100 0.056 0.000 0.948 528 R CB -0.308 30.029 30.300 0.062 0.000 0.845 528 R HN 0.348 nan 8.270 nan 0.000 0.430 529 E N 0.887 121.111 120.200 0.039 0.000 2.171 529 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 529 E C 1.838 178.457 176.600 0.033 0.000 0.997 529 E CA 1.449 57.866 56.400 0.029 0.000 0.810 529 E CB -0.526 29.187 29.700 0.021 0.000 0.738 529 E HN 0.430 nan 8.360 nan 0.000 0.467 530 Q N -1.551 118.274 119.800 0.043 0.000 2.435 530 Q HA 0.154 4.494 4.340 -0.000 0.000 0.207 530 Q C 1.526 177.561 176.000 0.059 0.000 0.956 530 Q CA 0.848 56.679 55.803 0.047 0.000 0.917 530 Q CB 0.599 29.370 28.738 0.056 0.000 0.997 530 Q HN 0.884 nan 8.270 nan 0.000 0.497 531 G N -0.042 108.794 108.800 0.061 0.000 2.142 531 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.225 531 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.225 531 G C 0.916 175.870 174.900 0.089 0.000 1.015 531 G CA 0.583 45.728 45.100 0.074 0.000 0.716 531 G HN 0.453 nan 8.290 nan 0.000 0.508 532 A N -0.145 122.721 122.820 0.076 0.000 1.902 532 A HA 0.166 4.486 4.320 -0.000 0.000 0.217 532 A C 2.395 180.011 177.584 0.052 0.000 1.181 532 A CA 1.867 53.944 52.037 0.067 0.000 0.623 532 A CB -0.306 18.730 19.000 0.061 0.000 0.818 532 A HN 0.810 nan 8.150 nan 0.000 0.443 533 I N -0.025 120.576 120.570 0.053 0.000 2.099 533 I HA -0.193 3.977 4.170 -0.000 0.000 0.239 533 I C -0.458 175.686 176.117 0.045 0.000 1.066 533 I CA 1.668 62.998 61.300 0.051 0.000 1.324 533 I CB -1.397 36.634 38.000 0.051 0.000 1.037 533 I HN 0.200 nan 8.210 nan 0.000 0.401 534 P HA -0.210 nan 4.420 nan 0.000 0.215 534 P C 1.538 178.853 177.300 0.024 0.000 1.157 534 P CA 1.481 64.602 63.100 0.035 0.000 0.874 534 P CB -0.057 31.670 31.700 0.046 0.000 0.790 535 R N -0.144 120.368 120.500 0.019 0.000 2.075 535 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 535 R C 2.208 178.483 176.300 -0.042 0.000 1.126 535 R CA 1.433 57.503 56.100 -0.051 0.000 0.963 535 R CB -1.593 28.608 30.300 -0.166 0.000 0.858 535 R HN 0.132 nan 8.270 nan 0.000 0.435 536 L N -0.584 120.638 121.223 -0.002 0.000 2.046 536 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 536 L C 2.288 179.185 176.870 0.044 0.000 1.077 536 L CA 1.114 55.971 54.840 0.029 0.000 0.747 536 L CB -0.469 41.620 42.059 0.051 0.000 0.896 536 L HN 0.030 nan 8.230 nan 0.000 0.432 537 V N -0.281 119.655 119.914 0.036 0.000 2.287 537 V HA -0.361 3.759 4.120 -0.000 0.000 0.248 537 V C 2.492 178.592 176.094 0.011 0.000 1.053 537 V CA 2.115 64.426 62.300 0.018 0.000 1.027 537 V CB -0.536 31.285 31.823 -0.003 0.000 0.646 537 V HN 0.563 nan 8.190 nan 0.000 0.447 538 Q N -0.504 119.302 119.800 0.011 0.000 2.084 538 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 538 Q C 2.277 178.304 176.000 0.045 0.000 0.978 538 Q CA 1.829 57.642 55.803 0.016 0.000 0.844 538 Q CB -0.146 28.594 28.738 0.003 0.000 0.898 538 Q HN 0.610 nan 8.270 nan 0.000 0.426 539 L N 0.351 121.605 121.223 0.053 0.000 2.046 539 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 539 L C 2.504 179.463 176.870 0.148 0.000 1.077 539 L CA 0.548 55.464 54.840 0.126 0.000 0.747 539 L CB -0.456 41.678 42.059 0.124 0.000 0.896 539 L HN 0.348 nan 8.230 nan 0.000 0.432 540 L N -0.493 120.791 121.223 0.102 0.000 1.994 540 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 540 L C 2.401 179.328 176.870 0.094 0.000 1.071 540 L CA 1.696 56.592 54.840 0.094 0.000 0.745 540 L CB -0.569 41.534 42.059 0.073 0.000 0.892 540 L HN -0.095 nan 8.230 nan 0.000 0.431 541 V N 0.216 120.167 119.914 0.062 0.000 2.252 541 V HA -0.341 3.779 4.120 -0.000 0.000 0.249 541 V C 2.860 179.017 176.094 0.106 0.000 1.056 541 V CA 2.244 64.585 62.300 0.069 0.000 1.022 541 V CB -0.774 31.067 31.823 0.029 0.000 0.641 541 V HN 0.565 nan 8.190 nan 0.000 0.445 542 R N 0.849 121.411 120.500 0.102 0.000 2.073 542 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 542 R C 2.146 178.506 176.300 0.100 0.000 1.134 542 R CA 2.070 58.236 56.100 0.111 0.000 0.952 542 R CB -1.030 29.362 30.300 0.154 0.000 0.850 542 R HN 0.451 nan 8.270 nan 0.000 0.433 543 A N -0.590 122.293 122.820 0.106 0.000 1.902 543 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 543 A C 2.138 179.739 177.584 0.029 0.000 1.181 543 A CA 1.871 53.914 52.037 0.010 0.000 0.623 543 A CB -0.959 18.028 19.000 -0.022 0.000 0.818 543 A HN 0.673 nan 8.150 nan 0.000 0.443 544 H N -0.105 118.962 119.070 -0.005 0.000 2.321 544 H HA -0.113 4.443 4.556 -0.000 0.000 0.300 544 H C 2.099 177.423 175.328 -0.007 0.000 1.087 544 H CA 2.234 58.280 56.048 -0.003 0.000 1.319 544 H CB -0.259 29.508 29.762 0.009 0.000 1.379 544 H HN 0.583 nan 8.280 nan 0.000 0.501 545 Q N -0.323 119.428 119.800 -0.082 0.000 2.135 545 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 545 Q C 1.696 177.618 176.000 -0.130 0.000 0.981 545 Q CA 1.655 57.379 55.803 -0.131 0.000 0.856 545 Q CB 0.015 28.742 28.738 -0.019 0.000 0.902 545 Q HN 0.586 nan 8.270 nan 0.000 0.425 546 D N -0.335 120.013 120.400 -0.086 0.000 2.178 546 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 546 D C 2.018 178.255 176.300 -0.104 0.000 0.974 546 D CA 1.719 55.672 54.000 -0.079 0.000 0.841 546 D CB -0.101 40.657 40.800 -0.071 0.000 0.953 546 D HN 0.384 nan 8.370 nan 0.000 0.478 547 T N -1.934 112.540 114.554 -0.133 0.000 2.951 547 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 547 T C 1.499 176.118 174.700 -0.135 0.000 1.073 547 T CA 0.595 62.623 62.100 -0.120 0.000 1.134 547 T CB -0.069 68.740 68.868 -0.097 0.000 0.884 547 T HN -0.067 nan 8.240 nan 0.000 0.479 548 Q N 1.141 120.820 119.800 -0.201 0.000 2.329 548 Q HA 0.242 4.582 4.340 -0.000 0.000 0.208 548 Q C 0.090 176.028 176.000 -0.103 0.000 0.934 548 Q CA 0.210 55.910 55.803 -0.172 0.000 0.951 548 Q CB -0.066 28.523 28.738 -0.248 0.000 1.017 548 Q HN 0.634 nan 8.270 nan 0.000 0.490 549 R N 0.188 120.638 120.500 -0.083 0.000 2.393 549 R HA 0.632 4.972 4.340 -0.000 0.000 0.310 549 R C 0.419 176.693 176.300 -0.044 0.000 0.968 549 R CA -0.256 55.811 56.100 -0.055 0.000 0.867 549 R CB 0.950 31.222 30.300 -0.047 0.000 1.124 549 R HN 0.002 nan 8.270 nan 0.000 0.450 550 R N 1.017 121.496 120.500 -0.034 0.000 2.608 550 R HA 0.749 5.089 4.340 -0.000 0.000 0.255 550 R C -0.109 176.178 176.300 -0.021 0.000 1.086 550 R CA -0.266 55.818 56.100 -0.027 0.000 1.125 550 R CB 0.979 31.265 30.300 -0.023 0.000 1.193 550 R HN 0.722 nan 8.270 nan 0.000 0.553 565 R N 5.115 125.548 120.500 -0.112 0.000 2.308 565 R HA 0.542 4.882 4.340 -0.000 0.000 0.305 565 R C 0.914 177.099 176.300 -0.191 0.000 1.053 565 R CA -0.783 55.235 56.100 -0.137 0.000 0.957 565 R CB 0.668 30.922 30.300 -0.076 0.000 1.022 565 R HN 0.537 nan 8.270 nan 0.000 0.461 566 M N 1.551 121.002 119.600 -0.248 0.000 2.337 566 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 566 M C 1.006 177.226 176.300 -0.134 0.000 1.067 566 M CA 1.546 56.684 55.300 -0.271 0.000 1.074 566 M CB -0.903 31.545 32.600 -0.253 0.000 1.395 566 M HN 0.698 nan 8.290 nan 0.000 0.431 567 E N 0.665 120.817 120.200 -0.080 0.000 2.085 567 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 567 E C 1.906 178.497 176.600 -0.014 0.000 0.994 567 E CA 1.262 57.647 56.400 -0.024 0.000 0.801 567 E CB -0.290 29.402 29.700 -0.012 0.000 0.743 567 E HN 0.577 nan 8.360 nan 0.000 0.453 568 E N -0.053 120.128 120.200 -0.031 0.000 2.110 568 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 568 E C 1.861 178.465 176.600 0.006 0.000 0.988 568 E CA 0.756 57.152 56.400 -0.006 0.000 0.804 568 E CB -0.082 29.613 29.700 -0.008 0.000 0.745 568 E HN 0.222 nan 8.360 nan 0.000 0.458 569 I N 0.795 121.346 120.570 -0.032 0.000 2.315 569 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 569 I C 2.401 178.545 176.117 0.045 0.000 1.117 569 I CA 0.867 62.173 61.300 0.010 0.000 1.404 569 I CB -0.935 37.020 38.000 -0.075 0.000 1.071 569 I HN -0.001 nan 8.210 nan 0.000 0.419 570 V N 0.801 120.734 119.914 0.032 0.000 2.261 570 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 570 V C 2.576 178.708 176.094 0.064 0.000 1.047 570 V CA 1.929 64.269 62.300 0.066 0.000 1.015 570 V CB -0.645 31.229 31.823 0.085 0.000 0.642 570 V HN 0.421 nan 8.190 nan 0.000 0.446 571 E N 0.157 120.387 120.200 0.050 0.000 2.058 571 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 571 E C 2.266 178.899 176.600 0.054 0.000 0.997 571 E CA 1.544 57.972 56.400 0.046 0.000 0.801 571 E CB -0.469 29.255 29.700 0.040 0.000 0.746 571 E HN 0.586 nan 8.360 nan 0.000 0.450 572 G N 0.394 109.230 108.800 0.060 0.000 2.433 572 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 572 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 572 G C 1.775 176.720 174.900 0.075 0.000 1.186 572 G CA 0.961 46.102 45.100 0.069 0.000 0.779 572 G HN 0.393 nan 8.290 nan 0.000 0.543 573 C N 0.677 120.028 119.300 0.085 0.000 2.413 573 C HA -0.029 4.431 4.460 -0.000 0.000 0.276 573 C C 3.274 178.324 174.990 0.100 0.000 1.248 573 C CA 1.619 60.693 59.018 0.093 0.000 1.742 573 C CB -1.040 26.762 27.740 0.104 0.000 2.017 573 C HN 0.456 nan 8.230 nan 0.000 0.481 574 T N 0.303 114.917 114.554 0.100 0.000 2.821 574 T HA -0.031 4.319 4.350 -0.000 0.000 0.267 574 T C 1.982 176.703 174.700 0.035 0.000 1.046 574 T CA 1.599 63.753 62.100 0.089 0.000 1.139 574 T CB -0.528 68.379 68.868 0.065 0.000 0.871 574 T HN 0.689 nan 8.240 nan 0.000 0.454 575 G N 1.122 109.953 108.800 0.053 0.000 2.408 575 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.217 575 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.217 575 G C 1.809 176.749 174.900 0.067 0.000 1.150 575 G CA 0.816 45.964 45.100 0.079 0.000 0.776 575 G HN 0.570 nan 8.290 nan 0.000 0.542 576 A N 0.655 123.508 122.820 0.055 0.000 1.873 576 A HA 0.126 4.446 4.320 -0.000 0.000 0.215 576 A C 2.416 180.016 177.584 0.026 0.000 1.186 576 A CA 1.164 53.224 52.037 0.038 0.000 0.616 576 A CB -0.421 18.608 19.000 0.049 0.000 0.823 576 A HN 0.337 nan 8.150 nan 0.000 0.442 577 L N -1.319 119.933 121.223 0.049 0.000 2.131 577 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 577 L C 2.606 179.476 176.870 -0.001 0.000 1.092 577 L CA 1.681 56.547 54.840 0.045 0.000 0.759 577 L CB -0.784 41.350 42.059 0.125 0.000 0.903 577 L HN 0.677 nan 8.230 nan 0.000 0.435 578 H N 0.400 119.381 119.070 -0.149 0.000 2.290 578 H HA -0.201 4.356 4.556 -0.000 0.000 0.298 578 H C 2.296 177.527 175.328 -0.162 0.000 1.087 578 H CA 1.700 57.620 56.048 -0.213 0.000 1.291 578 H CB 0.355 29.980 29.762 -0.228 0.000 1.369 578 H HN 0.140 nan 8.280 nan 0.000 0.492 579 I N 1.096 121.533 120.570 -0.223 0.000 2.252 579 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 579 I C 2.708 178.694 176.117 -0.219 0.000 1.102 579 I CA 0.823 61.963 61.300 -0.267 0.000 1.385 579 I CB -1.119 36.789 38.000 -0.153 0.000 1.064 579 I HN 0.374 nan 8.210 nan 0.000 0.414 580 L N 0.864 121.991 121.223 -0.160 0.000 2.191 580 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 580 L C 2.514 179.244 176.870 -0.233 0.000 1.103 580 L CA 0.992 55.708 54.840 -0.208 0.000 0.769 580 L CB -0.561 41.450 42.059 -0.080 0.000 0.908 580 L HN 0.182 nan 8.230 nan 0.000 0.438 581 A N -0.170 122.559 122.820 -0.151 0.000 2.216 581 A HA -0.123 4.197 4.320 -0.000 0.000 0.214 581 A C 2.177 179.678 177.584 -0.138 0.000 1.160 581 A CA 0.710 52.679 52.037 -0.113 0.000 0.725 581 A CB -0.474 18.484 19.000 -0.071 0.000 0.784 581 A HN 0.354 nan 8.150 nan 0.000 0.472 582 R N 0.074 120.445 120.500 -0.214 0.000 2.285 582 R HA -0.035 4.305 4.340 -0.000 0.000 0.213 582 R C 0.164 176.382 176.300 -0.137 0.000 1.068 582 R CA 0.828 56.833 56.100 -0.158 0.000 1.004 582 R CB -0.006 30.213 30.300 -0.136 0.000 0.873 582 R HN 0.557 nan 8.270 nan 0.000 0.467 583 D N 0.242 120.513 120.400 -0.214 0.000 2.256 583 D HA 0.011 4.651 4.640 -0.000 0.000 0.240 583 D C 0.996 177.240 176.300 -0.094 0.000 1.062 583 D CA -0.199 53.744 54.000 -0.094 0.000 0.832 583 D CB 2.220 42.985 40.800 -0.059 0.000 1.135 583 D HN -0.212 nan 8.370 nan 0.000 0.484 584 V N 5.722 125.550 119.914 -0.144 0.000 2.282 584 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 584 V C 1.903 177.860 176.094 -0.228 0.000 1.057 584 V CA 1.873 64.039 62.300 -0.223 0.000 1.032 584 V CB -0.623 31.001 31.823 -0.331 0.000 0.645 584 V HN 0.655 nan 8.190 nan 0.000 0.447 585 H N -0.029 119.046 119.070 0.010 0.000 2.389 585 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 585 H C 2.255 177.587 175.328 0.007 0.000 1.081 585 H CA 1.684 57.739 56.048 0.012 0.000 1.345 585 H CB -0.481 29.293 29.762 0.020 0.000 1.393 585 H HN 0.469 nan 8.280 nan 0.000 0.520 586 N N 1.134 119.885 118.700 0.084 0.000 2.188 586 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 586 N C 2.041 177.565 175.510 0.023 0.000 1.018 586 N CA 0.556 53.630 53.050 0.040 0.000 0.858 586 N CB -0.214 38.262 38.487 -0.019 0.000 0.989 586 N HN 0.372 nan 8.380 nan 0.000 0.426 587 R N 0.550 121.049 120.500 -0.003 0.000 2.081 587 R HA -0.002 4.338 4.340 -0.000 0.000 0.235 587 R C 2.210 178.524 176.300 0.024 0.000 1.131 587 R CA 0.897 56.998 56.100 0.003 0.000 0.960 587 R CB -0.445 29.841 30.300 -0.024 0.000 0.856 587 R HN 0.277 nan 8.270 nan 0.000 0.436 588 I N 0.383 120.968 120.570 0.024 0.000 2.163 588 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 588 I C 2.368 178.511 176.117 0.043 0.000 1.085 588 I CA 1.297 62.618 61.300 0.035 0.000 1.347 588 I CB -0.384 37.646 38.000 0.051 0.000 1.044 588 I HN -0.023 nan 8.210 nan 0.000 0.408 589 V N 1.179 121.124 119.914 0.052 0.000 2.343 589 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 589 V C 2.332 178.454 176.094 0.047 0.000 1.051 589 V CA 1.823 64.151 62.300 0.048 0.000 1.036 589 V CB -0.401 31.453 31.823 0.052 0.000 0.654 589 V HN 0.322 nan 8.190 nan 0.000 0.451 590 I N -0.320 120.286 120.570 0.060 0.000 2.127 590 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 590 I C 2.773 178.938 176.117 0.080 0.000 1.075 590 I CA 2.049 63.403 61.300 0.089 0.000 1.334 590 I CB -0.460 37.616 38.000 0.126 0.000 1.040 590 I HN 0.222 nan 8.210 nan 0.000 0.405 591 R N 1.127 121.670 120.500 0.072 0.000 2.081 591 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 591 R C 2.292 178.605 176.300 0.022 0.000 1.131 591 R CA 1.638 57.770 56.100 0.053 0.000 0.960 591 R CB -0.624 29.703 30.300 0.046 0.000 0.856 591 R HN 0.429 nan 8.270 nan 0.000 0.436 592 G N 0.745 109.559 108.800 0.023 0.000 2.516 592 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.221 592 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.221 592 G C 1.141 176.042 174.900 0.002 0.000 1.107 592 G CA 0.465 45.573 45.100 0.013 0.000 0.747 592 G HN 0.293 nan 8.290 nan 0.000 0.567 593 L N -0.153 121.067 121.223 -0.006 0.000 2.685 593 L HA 0.230 4.570 4.340 -0.000 0.000 0.233 593 L C 0.940 177.776 176.870 -0.056 0.000 1.173 593 L CA -0.298 54.528 54.840 -0.024 0.000 0.961 593 L CB -0.363 41.683 42.059 -0.022 0.000 1.217 593 L HN 0.183 nan 8.230 nan 0.000 0.478 594 N N 0.664 119.333 118.700 -0.052 0.000 2.714 594 N HA -0.212 4.528 4.740 -0.000 0.000 0.253 594 N C 1.033 176.457 175.510 -0.144 0.000 1.024 594 N CA 0.952 53.959 53.050 -0.070 0.000 0.726 594 N CB -0.562 37.893 38.487 -0.053 0.000 0.908 594 N HN 0.528 nan 8.380 nan 0.000 0.542 595 T N -3.437 110.995 114.554 -0.204 0.000 3.044 595 T HA 0.172 4.522 4.350 -0.000 0.000 0.255 595 T C 1.995 176.359 174.700 -0.560 0.000 1.073 595 T CA 0.625 62.421 62.100 -0.507 0.000 1.125 595 T CB -0.134 68.343 68.868 -0.652 0.000 0.908 595 T HN 0.333 nan 8.240 nan 0.000 0.480 596 I N 2.274 122.751 120.570 -0.156 0.000 2.185 596 I HA -0.120 4.050 4.170 -0.000 0.000 0.246 596 I C -0.615 175.494 176.117 -0.012 0.000 1.088 596 I CA 1.486 62.807 61.300 0.035 0.000 1.347 596 I CB -1.173 36.866 38.000 0.065 0.000 1.041 596 I HN 0.243 nan 8.210 nan 0.000 0.415 597 P HA -0.178 nan 4.420 nan 0.000 0.216 597 P C 1.800 179.066 177.300 -0.058 0.000 1.153 597 P CA 1.123 64.201 63.100 -0.036 0.000 0.848 597 P CB 0.024 31.698 31.700 -0.042 0.000 0.787 598 L N -1.626 119.492 121.223 -0.175 0.000 2.056 598 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 598 L C 2.029 178.823 176.870 -0.126 0.000 1.078 598 L CA 1.883 56.594 54.840 -0.215 0.000 0.749 598 L CB -1.496 40.356 42.059 -0.345 0.000 0.901 598 L HN -0.171 nan 8.230 nan 0.000 0.433 599 F N -0.691 119.212 119.950 -0.078 0.000 2.126 599 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 599 F C 2.557 178.317 175.800 -0.068 0.000 1.096 599 F CA 1.451 59.400 58.000 -0.084 0.000 1.255 599 F CB -1.466 37.489 39.000 -0.074 0.000 0.997 599 F HN -0.084 nan 8.300 nan 0.000 0.479 600 V N -0.470 119.539 119.914 0.157 0.000 2.343 600 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 600 V C 2.426 178.596 176.094 0.127 0.000 1.051 600 V CA 1.901 64.257 62.300 0.093 0.000 1.036 600 V CB -0.698 31.181 31.823 0.093 0.000 0.654 600 V HN 0.242 nan 8.190 nan 0.000 0.451 601 Q N 0.120 120.010 119.800 0.151 0.000 2.135 601 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 601 Q C 1.927 178.059 176.000 0.220 0.000 0.981 601 Q CA 1.770 57.715 55.803 0.236 0.000 0.856 601 Q CB -0.530 28.271 28.738 0.106 0.000 0.902 601 Q HN 0.639 nan 8.270 nan 0.000 0.425 602 L N -0.310 120.956 121.223 0.072 0.000 2.362 602 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 602 L C 1.832 178.728 176.870 0.043 0.000 1.134 602 L CA 0.319 55.188 54.840 0.049 0.000 0.807 602 L CB -0.320 41.748 42.059 0.015 0.000 0.927 602 L HN 0.263 nan 8.230 nan 0.000 0.447 603 L N -1.524 119.689 121.223 -0.017 0.000 2.362 603 L HA -0.189 4.151 4.340 -0.000 0.000 0.219 603 L C 1.703 178.453 176.870 -0.199 0.000 1.134 603 L CA 1.062 55.812 54.840 -0.150 0.000 0.807 603 L CB -0.352 41.544 42.059 -0.272 0.000 0.927 603 L HN 0.266 nan 8.230 nan 0.000 0.447 604 Y N -1.258 119.061 120.300 0.032 0.000 2.466 604 Y HA 0.111 4.661 4.550 0.000 0.000 0.272 604 Y C 1.743 177.668 175.900 0.042 0.000 1.169 604 Y CA -0.301 57.820 58.100 0.036 0.000 1.285 604 Y CB 0.145 38.629 38.460 0.040 0.000 1.078 604 Y HN -0.027 nan 8.280 nan 0.000 0.523 605 S N 2.477 118.274 115.700 0.163 0.000 2.558 605 S HA -0.031 4.439 4.470 -0.000 0.000 0.291 605 S C -1.084 173.571 174.600 0.091 0.000 1.306 605 S CA -0.997 57.278 58.200 0.124 0.000 1.056 605 S CB 0.648 63.905 63.200 0.095 0.000 0.836 605 S HN 0.180 nan 8.310 nan 0.000 0.504 606 P HA 0.143 nan 4.420 nan 0.000 0.231 606 P C 0.041 177.368 177.300 0.044 0.000 1.168 606 P CA 0.498 63.633 63.100 0.058 0.000 0.779 606 P CB 0.017 31.747 31.700 0.049 0.000 0.844 607 I N 1.032 121.629 120.570 0.045 0.000 2.352 607 I HA 0.092 4.262 4.170 -0.000 0.000 0.290 607 I C 1.622 177.760 176.117 0.033 0.000 1.036 607 I CA -0.352 60.970 61.300 0.036 0.000 1.336 607 I CB 0.959 38.980 38.000 0.036 0.000 1.407 607 I HN -0.149 nan 8.210 nan 0.000 0.497 608 E N 4.060 124.278 120.200 0.029 0.000 2.038 608 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 608 E C 1.411 178.027 176.600 0.028 0.000 1.000 608 E CA 1.306 57.722 56.400 0.027 0.000 0.803 608 E CB -0.032 29.683 29.700 0.025 0.000 0.750 608 E HN 0.620 nan 8.360 nan 0.000 0.448 609 N N 0.935 119.653 118.700 0.031 0.000 2.137 609 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 609 N C 1.921 177.447 175.510 0.026 0.000 1.017 609 N CA 1.052 54.123 53.050 0.035 0.000 0.859 609 N CB -0.267 38.242 38.487 0.037 0.000 1.002 609 N HN 0.228 nan 8.380 nan 0.000 0.428 610 I N 1.547 122.132 120.570 0.025 0.000 2.202 610 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 610 I C 2.276 178.391 176.117 -0.003 0.000 1.091 610 I CA 1.031 62.342 61.300 0.019 0.000 1.368 610 I CB -0.317 37.707 38.000 0.039 0.000 1.058 610 I HN 0.166 nan 8.210 nan 0.000 0.410 611 Q N 0.314 120.116 119.800 0.003 0.000 2.112 611 Q HA -0.277 4.063 4.340 -0.000 0.000 0.206 611 Q C 2.332 178.312 176.000 -0.032 0.000 0.987 611 Q CA 1.605 57.398 55.803 -0.016 0.000 0.858 611 Q CB -0.360 28.375 28.738 -0.004 0.000 0.905 611 Q HN 0.433 nan 8.270 nan 0.000 0.420 612 R N 0.582 121.082 120.500 -0.001 0.000 2.080 612 R HA -0.162 4.178 4.340 -0.000 0.000 0.236 612 R C 2.444 178.672 176.300 -0.120 0.000 1.137 612 R CA 1.896 58.015 56.100 0.031 0.000 0.943 612 R CB -0.322 30.032 30.300 0.090 0.000 0.846 612 R HN 0.345 nan 8.270 nan 0.000 0.431 613 V N -1.972 117.861 119.914 -0.135 0.000 2.626 613 V HA -0.039 4.081 4.120 -0.000 0.000 0.252 613 V C 2.181 178.039 176.094 -0.393 0.000 1.067 613 V CA 1.602 63.739 62.300 -0.272 0.000 1.081 613 V CB -0.912 30.856 31.823 -0.092 0.000 0.686 613 V HN 0.362 nan 8.190 nan 0.000 0.468 614 A N 1.009 123.679 122.820 -0.249 0.000 1.855 614 A HA 0.109 4.429 4.320 -0.000 0.000 0.215 614 A C 2.521 179.899 177.584 -0.343 0.000 1.191 614 A CA 2.309 54.193 52.037 -0.254 0.000 0.613 614 A CB -1.168 17.774 19.000 -0.095 0.000 0.829 614 A HN 0.905 nan 8.150 nan 0.000 0.442 615 A N -0.449 122.211 122.820 -0.267 0.000 1.902 615 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 615 A C 2.410 179.724 177.584 -0.450 0.000 1.181 615 A CA 1.993 53.892 52.037 -0.230 0.000 0.623 615 A CB -1.434 17.531 19.000 -0.058 0.000 0.818 615 A HN 0.734 nan 8.150 nan 0.000 0.443 616 G N -0.772 107.512 108.800 -0.861 0.000 2.459 616 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 616 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 616 G C 1.645 175.908 174.900 -1.061 0.000 1.183 616 G CA 1.273 45.401 45.100 -1.621 0.000 0.776 616 G HN 0.516 nan 8.290 nan 0.000 0.552 617 V N 0.656 120.037 119.914 -0.889 0.000 2.407 617 V HA -0.040 4.080 4.120 -0.000 0.000 0.248 617 V C 2.884 178.710 176.094 -0.446 0.000 1.055 617 V CA 1.620 63.582 62.300 -0.564 0.000 1.049 617 V CB -0.232 31.098 31.823 -0.821 0.000 0.662 617 V HN 0.413 nan 8.190 nan 0.000 0.455 618 L N -0.652 120.308 121.223 -0.439 0.000 2.083 618 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 618 L C 2.765 179.546 176.870 -0.148 0.000 1.083 618 L CA 1.781 56.485 54.840 -0.227 0.000 0.752 618 L CB -0.808 41.159 42.059 -0.155 0.000 0.899 618 L HN 0.575 nan 8.230 nan 0.000 0.433 619 C N 0.402 119.597 119.300 -0.175 0.000 2.413 619 C HA -0.169 4.291 4.460 -0.000 0.000 0.277 619 C C 2.812 177.776 174.990 -0.043 0.000 1.228 619 C CA 1.080 60.056 59.018 -0.070 0.000 1.731 619 C CB -0.604 27.112 27.740 -0.040 0.000 2.042 619 C HN 0.495 nan 8.230 nan 0.000 0.468 620 E N 0.460 120.617 120.200 -0.071 0.000 2.058 620 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 620 E C 2.035 178.612 176.600 -0.038 0.000 0.997 620 E CA 1.193 57.573 56.400 -0.033 0.000 0.801 620 E CB -0.620 29.062 29.700 -0.029 0.000 0.746 620 E HN 0.540 nan 8.360 nan 0.000 0.450 621 L N 0.807 121.995 121.223 -0.058 0.000 2.083 621 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 621 L C 2.311 179.169 176.870 -0.020 0.000 1.083 621 L CA 1.629 56.450 54.840 -0.031 0.000 0.752 621 L CB -1.036 41.013 42.059 -0.017 0.000 0.899 621 L HN 0.039 nan 8.230 nan 0.000 0.433 622 A N -0.498 122.307 122.820 -0.024 0.000 2.209 622 A HA -0.167 4.153 4.320 -0.000 0.000 0.212 622 A C 2.102 179.676 177.584 -0.016 0.000 1.158 622 A CA 0.905 52.931 52.037 -0.018 0.000 0.742 622 A CB -0.644 18.346 19.000 -0.017 0.000 0.790 622 A HN 0.676 nan 8.150 nan 0.000 0.472 623 Q N -0.385 119.409 119.800 -0.009 0.000 2.436 623 Q HA -0.050 4.290 4.340 -0.000 0.000 0.209 623 Q C -0.856 175.134 176.000 -0.016 0.000 0.965 623 Q CA 0.719 56.520 55.803 -0.003 0.000 0.910 623 Q CB -0.128 28.614 28.738 0.006 0.000 0.980 623 Q HN 0.403 nan 8.270 nan 0.000 0.491 624 D N 1.207 121.595 120.400 -0.021 0.000 2.349 624 D HA 0.136 4.776 4.640 -0.000 0.000 0.232 624 D C 0.378 176.663 176.300 -0.024 0.000 1.071 624 D CA -0.446 53.540 54.000 -0.023 0.000 0.832 624 D CB 1.774 42.561 40.800 -0.022 0.000 1.086 624 D HN -0.073 nan 8.370 nan 0.000 0.504 625 K N 2.198 122.581 120.400 -0.028 0.000 2.032 625 K HA -0.262 4.058 4.320 -0.000 0.000 0.218 625 K C 1.994 178.579 176.600 -0.024 0.000 1.054 625 K CA 1.992 58.259 56.287 -0.033 0.000 0.941 625 K CB -0.517 31.963 32.500 -0.033 0.000 0.720 625 K HN 0.660 nan 8.250 nan 0.000 0.449 626 E N 0.938 121.128 120.200 -0.017 0.000 2.130 626 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 626 E C 2.063 178.659 176.600 -0.007 0.000 0.998 626 E CA 1.822 58.215 56.400 -0.011 0.000 0.806 626 E CB -0.671 29.026 29.700 -0.006 0.000 0.738 626 E HN 0.469 nan 8.360 nan 0.000 0.459 627 A N 0.669 123.485 122.820 -0.007 0.000 1.872 627 A HA 0.351 4.671 4.320 -0.000 0.000 0.214 627 A C 2.879 180.461 177.584 -0.003 0.000 1.187 627 A CA 2.257 54.294 52.037 0.001 0.000 0.614 627 A CB -0.785 18.216 19.000 0.002 0.000 0.826 627 A HN 1.060 nan 8.150 nan 0.000 0.442 628 A N -0.250 122.561 122.820 -0.015 0.000 1.917 628 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 628 A C 1.962 179.535 177.584 -0.019 0.000 1.182 628 A CA 2.350 54.373 52.037 -0.022 0.000 0.633 628 A CB -0.563 18.412 19.000 -0.042 0.000 0.819 628 A HN 0.518 nan 8.150 nan 0.000 0.448 629 E N -0.144 120.044 120.200 -0.019 0.000 2.110 629 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 629 E C 2.030 178.627 176.600 -0.005 0.000 0.988 629 E CA 1.362 57.753 56.400 -0.016 0.000 0.804 629 E CB -0.416 29.275 29.700 -0.016 0.000 0.745 629 E HN 0.515 nan 8.360 nan 0.000 0.458 630 A N 0.186 123.006 122.820 -0.000 0.000 1.969 630 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 630 A C 2.236 179.828 177.584 0.013 0.000 1.169 630 A CA 1.197 53.238 52.037 0.007 0.000 0.635 630 A CB -0.545 18.462 19.000 0.011 0.000 0.810 630 A HN 0.316 nan 8.150 nan 0.000 0.445 631 I N -0.791 119.787 120.570 0.013 0.000 2.252 631 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 631 I C 2.538 178.663 176.117 0.013 0.000 1.102 631 I CA 1.713 63.024 61.300 0.019 0.000 1.385 631 I CB -0.345 37.663 38.000 0.013 0.000 1.064 631 I HN 0.501 nan 8.210 nan 0.000 0.414 632 E N 1.355 121.557 120.200 0.004 0.000 2.077 632 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 632 E C 2.278 178.883 176.600 0.009 0.000 0.989 632 E CA 1.371 57.772 56.400 0.002 0.000 0.800 632 E CB -0.030 29.666 29.700 -0.007 0.000 0.746 632 E HN 0.472 nan 8.360 nan 0.000 0.452 633 A N 0.861 123.686 122.820 0.008 0.000 1.972 633 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 633 A C 1.993 179.588 177.584 0.018 0.000 1.169 633 A CA 1.674 53.718 52.037 0.011 0.000 0.635 633 A CB -0.460 18.545 19.000 0.008 0.000 0.810 633 A HN 0.250 nan 8.150 nan 0.000 0.446 634 E N -0.552 119.661 120.200 0.022 0.000 2.478 634 E HA 0.144 4.494 4.350 -0.000 0.000 0.198 634 E C 1.050 177.677 176.600 0.044 0.000 1.046 634 E CA 0.749 57.167 56.400 0.031 0.000 0.870 634 E CB -0.570 29.151 29.700 0.034 0.000 0.818 634 E HN 0.856 nan 8.360 nan 0.000 0.527 635 G N -0.826 107.997 108.800 0.039 0.000 2.165 635 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.226 635 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.226 635 G C 0.867 175.799 174.900 0.055 0.000 1.035 635 G CA 0.544 45.675 45.100 0.051 0.000 0.744 635 G HN 0.494 nan 8.290 nan 0.000 0.501 636 A N -0.720 122.118 122.820 0.029 0.000 2.016 636 A HA 0.247 4.567 4.320 -0.000 0.000 0.217 636 A C 2.473 180.046 177.584 -0.017 0.000 1.162 636 A CA 2.469 54.507 52.037 0.001 0.000 0.662 636 A CB -0.578 18.420 19.000 -0.003 0.000 0.812 636 A HN 0.867 nan 8.150 nan 0.000 0.450 637 T N 0.966 115.519 114.554 -0.001 0.000 2.592 637 T HA -0.254 4.096 4.350 -0.000 0.000 0.267 637 T C 2.227 176.924 174.700 -0.005 0.000 1.060 637 T CA 2.269 64.368 62.100 -0.003 0.000 1.167 637 T CB -0.725 68.147 68.868 0.007 0.000 0.863 637 T HN 0.649 nan 8.240 nan 0.000 0.431 638 A N 2.571 125.400 122.820 0.014 0.000 1.859 638 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 638 A C 0.619 178.195 177.584 -0.013 0.000 1.198 638 A CA 1.927 53.979 52.037 0.026 0.000 0.629 638 A CB -1.727 17.315 19.000 0.070 0.000 0.830 638 A HN 0.483 nan 8.150 nan 0.000 0.446 639 P HA -0.122 nan 4.420 nan 0.000 0.218 639 P C 1.631 178.818 177.300 -0.187 0.000 1.149 639 P CA 0.977 63.914 63.100 -0.272 0.000 0.817 639 P CB -0.173 31.070 31.700 -0.761 0.000 0.785 640 L N -0.487 120.661 121.223 -0.125 0.000 2.017 640 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 640 L C 2.655 179.490 176.870 -0.059 0.000 1.073 640 L CA 2.018 56.808 54.840 -0.084 0.000 0.745 640 L CB -1.617 40.410 42.059 -0.052 0.000 0.894 640 L HN 0.005 nan 8.230 nan 0.000 0.432 641 T N -0.916 113.615 114.554 -0.038 0.000 2.737 641 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 641 T C 1.739 176.427 174.700 -0.020 0.000 1.040 641 T CA 1.231 63.317 62.100 -0.025 0.000 1.142 641 T CB -0.162 68.707 68.868 0.002 0.000 0.861 641 T HN 0.291 nan 8.240 nan 0.000 0.456 642 E N 0.862 121.058 120.200 -0.007 0.000 2.204 642 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 642 E C 1.897 178.504 176.600 0.012 0.000 0.989 642 E CA 0.534 56.953 56.400 0.031 0.000 0.824 642 E CB -0.229 29.486 29.700 0.025 0.000 0.756 642 E HN 0.485 nan 8.360 nan 0.000 0.477 643 L N 0.787 121.988 121.223 -0.037 0.000 2.650 643 L HA 0.024 4.364 4.340 -0.000 0.000 0.235 643 L C 1.913 178.747 176.870 -0.060 0.000 1.149 643 L CA -0.048 54.769 54.840 -0.038 0.000 0.887 643 L CB -0.089 41.939 42.059 -0.052 0.000 1.021 643 L HN 0.039 nan 8.230 nan 0.000 0.441 644 L N -1.180 119.971 121.223 -0.119 0.000 2.418 644 L HA -0.042 4.298 4.340 -0.000 0.000 0.218 644 L C 1.380 178.071 176.870 -0.298 0.000 1.125 644 L CA 0.362 55.067 54.840 -0.225 0.000 0.835 644 L CB -0.197 41.673 42.059 -0.315 0.000 0.953 644 L HN 0.377 nan 8.230 nan 0.000 0.454 645 H N -0.895 118.168 119.070 -0.011 0.000 2.550 645 H HA 0.242 4.798 4.556 -0.000 0.000 0.304 645 H C 0.382 175.706 175.328 -0.008 0.000 1.086 645 H CA -0.068 55.975 56.048 -0.009 0.000 1.089 645 H CB 0.547 30.307 29.762 -0.004 0.000 1.528 645 H HN 0.022 nan 8.280 nan 0.000 0.539 646 S N 0.969 116.701 115.700 0.053 0.000 2.586 646 S HA 0.128 4.598 4.470 -0.000 0.000 0.274 646 S C 1.522 176.136 174.600 0.025 0.000 1.281 646 S CA -0.836 57.386 58.200 0.035 0.000 1.035 646 S CB 0.957 64.164 63.200 0.011 0.000 0.962 646 S HN 0.649 nan 8.310 nan 0.000 0.512 647 R N 2.828 123.342 120.500 0.024 0.000 2.339 647 R HA 0.093 4.433 4.340 -0.000 0.000 0.199 647 R C 0.202 176.505 176.300 0.004 0.000 1.018 647 R CA 0.249 56.359 56.100 0.015 0.000 1.036 647 R CB -0.403 29.906 30.300 0.016 0.000 0.899 647 R HN 0.380 nan 8.270 nan 0.000 0.473 648 N N 2.397 121.097 118.700 0.000 0.000 2.546 648 N HA -0.018 4.722 4.740 -0.000 0.000 0.238 648 N C 0.339 175.831 175.510 -0.030 0.000 0.984 648 N CA -0.230 52.815 53.050 -0.008 0.000 0.935 648 N CB 1.246 39.735 38.487 0.003 0.000 1.122 648 N HN 0.404 nan 8.380 nan 0.000 0.510 649 E N 1.841 122.016 120.200 -0.043 0.000 2.267 649 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 649 E C 1.435 177.963 176.600 -0.122 0.000 0.998 649 E CA 1.138 57.494 56.400 -0.073 0.000 0.830 649 E CB -0.089 29.570 29.700 -0.069 0.000 0.751 649 E HN 0.603 nan 8.360 nan 0.000 0.491 650 G N 2.100 110.832 108.800 -0.114 0.000 2.414 650 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.215 650 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.215 650 G C 1.835 176.616 174.900 -0.197 0.000 1.188 650 G CA 1.542 46.523 45.100 -0.199 0.000 0.783 650 G HN 0.318 nan 8.290 nan 0.000 0.537 651 V N -0.476 119.418 119.914 -0.034 0.000 2.343 651 V HA 0.018 4.138 4.120 -0.000 0.000 0.247 651 V C 2.934 179.018 176.094 -0.016 0.000 1.051 651 V CA 2.102 64.423 62.300 0.036 0.000 1.036 651 V CB -1.138 30.700 31.823 0.025 0.000 0.654 651 V HN 0.409 nan 8.190 nan 0.000 0.451 652 A N 0.642 123.425 122.820 -0.063 0.000 1.902 652 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 652 A C 2.355 179.879 177.584 -0.101 0.000 1.181 652 A CA 2.606 54.596 52.037 -0.078 0.000 0.623 652 A CB -1.334 17.616 19.000 -0.084 0.000 0.818 652 A HN 0.592 nan 8.150 nan 0.000 0.443 653 T N -0.996 113.455 114.554 -0.172 0.000 2.708 653 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 653 T C 1.768 176.373 174.700 -0.158 0.000 1.037 653 T CA 1.810 63.778 62.100 -0.221 0.000 1.146 653 T CB -0.462 68.185 68.868 -0.368 0.000 0.865 653 T HN 0.519 nan 8.240 nan 0.000 0.435 654 Y N 1.579 121.851 120.300 -0.046 0.000 2.181 654 Y HA 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19.000 0.155 0.000 0.826 657 A HN 0.481 nan 8.150 nan 0.000 0.444 658 V N 0.223 120.192 119.914 0.092 0.000 2.332 658 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 658 V C 2.582 178.701 176.094 0.041 0.000 1.055 658 V CA 2.042 64.368 62.300 0.045 0.000 1.038 658 V CB -0.911 30.916 31.823 0.006 0.000 0.651 658 V HN 0.557 nan 8.190 nan 0.000 0.450 659 L N -1.224 120.032 121.223 0.055 0.000 1.994 659 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 659 L C 2.425 179.339 176.870 0.074 0.000 1.071 659 L CA 2.062 56.931 54.840 0.048 0.000 0.745 659 L CB -0.711 41.376 42.059 0.047 0.000 0.892 659 L HN 0.372 nan 8.230 nan 0.000 0.431 660 F N 1.211 121.153 119.950 -0.013 0.000 2.043 660 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 660 F C 2.721 178.517 175.800 -0.007 0.000 1.121 660 F CA 1.672 59.666 58.000 -0.010 0.000 1.199 660 F CB -0.375 38.619 39.000 -0.009 0.000 0.968 660 F HN -0.137 nan 8.300 nan 0.000 0.478 661 R N -0.270 120.148 120.500 -0.137 0.000 2.159 661 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 661 R C 1.937 178.111 176.300 -0.209 0.000 1.131 661 R CA 1.487 57.441 56.100 -0.242 0.000 0.982 661 R CB -0.465 29.811 30.300 -0.040 0.000 0.868 661 R HN 0.370 nan 8.270 nan 0.000 0.453 662 M N 0.980 120.502 119.600 -0.130 0.000 2.752 662 M HA -0.014 4.466 4.480 -0.000 0.000 0.214 662 M C -0.185 176.043 176.300 -0.121 0.000 1.123 662 M CA 0.333 55.575 55.300 -0.096 0.000 1.017 662 M CB -0.200 32.371 32.600 -0.049 0.000 1.785 662 M HN 0.121 nan 8.290 nan 0.000 0.499 663 S N 0.000 115.575 115.700 -0.209 0.000 2.498 663 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 663 S CA 0.000 58.083 58.200 -0.194 0.000 1.107 663 S CB 0.000 63.122 63.200 -0.130 0.000 0.593 663 S HN 0.000 nan 8.310 nan 0.000 0.517