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 3ifg_1_A DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 3 G C 0.000 174.875 174.900 -0.041 0.000 0.946 3 G CA 0.000 45.067 45.100 -0.055 0.000 0.502 4 S N 0.737 116.414 115.700 -0.039 0.000 2.514 4 S HA 0.762 5.232 4.470 0.000 0.000 0.179 4 S C -0.126 174.459 174.600 -0.025 0.000 1.409 4 S CA -0.350 57.834 58.200 -0.027 0.000 1.138 4 S CB -0.294 62.893 63.200 -0.022 0.000 1.217 4 S HN 0.406 nan 8.310 nan 0.000 0.493 5 M N 1.004 120.589 119.600 -0.026 0.000 2.550 5 M HA 0.469 4.949 4.480 0.000 0.000 0.292 5 M C 0.360 176.652 176.300 -0.012 0.000 1.221 5 M CA -0.870 54.419 55.300 -0.020 0.000 0.873 5 M CB 2.133 34.718 32.600 -0.026 0.000 1.727 5 M HN 0.014 nan 8.290 nan 0.000 0.459 6 K N 0.204 120.601 120.400 -0.006 0.000 2.063 6 K HA -0.114 4.206 4.320 0.000 0.000 0.208 6 K C 0.292 176.894 176.600 0.004 0.000 1.048 6 K CA 1.288 57.574 56.287 -0.001 0.000 0.928 6 K CB 0.009 32.510 32.500 0.001 0.000 0.713 6 K HN 0.433 nan 8.250 nan 0.000 0.442 7 D N -0.476 119.930 120.400 0.010 0.000 2.434 7 D HA 0.129 4.769 4.640 0.000 0.000 0.275 7 D C -2.003 174.304 176.300 0.011 0.000 1.172 7 D CA -2.397 51.618 54.000 0.025 0.000 0.916 7 D CB 0.963 41.795 40.800 0.053 0.000 1.041 7 D HN -0.115 nan 8.370 nan 0.000 0.501 8 P HA -0.170 nan 4.420 nan 0.000 0.218 8 P C 1.170 178.431 177.300 -0.065 0.000 1.146 8 P CA 0.820 63.896 63.100 -0.040 0.000 0.813 8 P CB 0.083 31.759 31.700 -0.040 0.000 0.778 9 S N -1.306 114.364 115.700 -0.050 0.000 2.603 9 S HA -0.003 4.467 4.470 0.000 0.000 0.229 9 S C 1.908 176.388 174.600 -0.200 0.000 0.972 9 S CA 0.153 58.270 58.200 -0.138 0.000 0.935 9 S CB -1.411 61.734 63.200 -0.091 0.000 0.769 9 S HN 0.085 nan 8.310 nan 0.000 0.536 10 L N -0.034 121.171 121.223 -0.030 0.000 2.141 10 L HA 0.194 4.534 4.340 0.000 0.000 0.209 10 L C 1.033 177.840 176.870 -0.106 0.000 1.094 10 L CA 0.357 55.216 54.840 0.032 0.000 0.763 10 L CB -0.282 41.832 42.059 0.091 0.000 0.908 10 L HN 0.362 nan 8.230 nan 0.000 0.437 11 L N 1.309 122.425 121.223 -0.178 0.000 2.410 11 L HA 0.098 4.438 4.340 0.000 0.000 0.273 11 L C -0.027 176.643 176.870 -0.334 0.000 1.144 11 L CA 0.468 55.138 54.840 -0.284 0.000 0.863 11 L CB 0.118 41.972 42.059 -0.342 0.000 1.140 11 L HN 0.022 nan 8.230 nan 0.000 0.463 12 R N 4.517 124.847 120.500 -0.283 0.000 2.637 12 R HA 0.394 4.734 4.340 0.000 0.000 0.291 12 R C -0.272 175.862 176.300 -0.278 0.000 0.963 12 R CA -0.552 55.374 56.100 -0.289 0.000 0.901 12 R CB 1.232 31.407 30.300 -0.207 0.000 1.160 12 R HN 0.660 nan 8.270 nan 0.000 0.457 13 H N 0.639 119.710 119.070 0.002 0.000 2.767 13 H HA 0.298 4.854 4.556 0.000 0.000 0.260 13 H C -0.341 175.006 175.328 0.031 0.000 1.172 13 H CA -0.022 56.049 56.048 0.038 0.000 1.048 13 H CB 1.585 31.343 29.762 -0.006 0.000 1.697 13 H HN 0.410 nan 8.280 nan 0.000 0.606 14 Q N 0.129 120.032 119.800 0.172 0.000 2.423 14 Q HA 0.682 5.022 4.340 0.000 0.000 0.278 14 Q C -0.632 175.606 176.000 0.396 0.000 1.097 14 Q CA -0.881 55.074 55.803 0.254 0.000 0.809 14 Q CB 3.196 32.113 28.738 0.298 0.000 1.391 14 Q HN 0.235 nan 8.270 nan 0.000 0.428 15 A N 0.706 123.683 122.820 0.263 0.000 2.259 15 A HA 0.361 4.681 4.320 0.000 0.000 0.278 15 A C -1.383 176.257 177.584 0.094 0.000 1.107 15 A CA -0.002 52.145 52.037 0.183 0.000 0.828 15 A CB 0.319 19.369 19.000 0.083 0.000 1.111 15 A HN 0.688 nan 8.150 nan 0.000 0.498 16 Y N 1.399 121.514 120.300 -0.309 0.000 2.919 16 Y HA 0.391 4.941 4.550 0.000 0.000 0.341 16 Y C -0.708 174.973 175.900 -0.364 0.000 1.045 16 Y CA -1.537 56.177 58.100 -0.643 0.000 1.218 16 Y CB 0.332 38.241 38.460 -0.919 0.000 1.137 16 Y HN 0.349 nan 8.280 nan 0.000 0.577 17 I N 3.834 124.177 120.570 -0.378 0.000 2.297 17 I HA 0.291 4.462 4.170 0.000 0.000 0.291 17 I C 1.233 177.103 176.117 -0.412 0.000 1.033 17 I CA -0.252 60.867 61.300 -0.302 0.000 1.253 17 I CB 0.477 38.383 38.000 -0.157 0.000 1.396 17 I HN 0.827 nan 8.210 nan 0.000 0.476 18 G N 5.018 113.570 108.800 -0.413 0.000 2.225 18 G HA2 -0.154 3.806 3.960 0.000 0.000 0.267 18 G HA3 -0.154 3.806 3.960 0.000 0.000 0.267 18 G C 0.988 175.600 174.900 -0.481 0.000 1.024 18 G CA 0.681 45.564 45.100 -0.363 0.000 0.784 18 G HN 1.591 nan 8.290 nan 0.000 0.507 19 G N -1.853 106.399 108.800 -0.914 0.000 2.141 19 G HA2 -0.088 3.872 3.960 0.000 0.000 0.231 19 G HA3 -0.088 3.872 3.960 0.000 0.000 0.231 19 G C -0.138 174.341 174.900 -0.702 0.000 0.984 19 G CA 0.866 45.393 45.100 -0.954 0.000 0.660 19 G HN 1.188 nan 8.290 nan 0.000 0.525 20 E N -1.329 118.454 120.200 -0.696 0.000 2.292 20 E HA 0.506 4.856 4.350 0.000 0.000 0.272 20 E C -0.779 175.684 176.600 -0.228 0.000 0.881 20 E CA -1.003 55.234 56.400 -0.272 0.000 0.754 20 E CB 1.189 30.824 29.700 -0.108 0.000 1.201 20 E HN 0.268 nan 8.360 nan 0.000 0.425 21 W N 2.618 123.988 121.300 0.117 0.000 2.356 21 W HA 0.251 4.911 4.660 0.000 0.000 0.311 21 W C 0.206 176.757 176.519 0.053 0.000 1.328 21 W CA -0.077 57.347 57.345 0.132 0.000 1.251 21 W CB 0.607 30.142 29.460 0.125 0.000 1.280 21 W HN 0.224 nan 8.180 nan 0.000 0.524 22 Q N 2.124 122.062 119.800 0.231 0.000 2.416 22 Q HA 0.710 5.050 4.340 0.000 0.000 0.281 22 Q C -0.444 175.625 176.000 0.116 0.000 1.067 22 Q CA -1.068 54.809 55.803 0.124 0.000 0.809 22 Q CB 2.452 31.216 28.738 0.044 0.000 1.418 22 Q HN 0.543 nan 8.270 nan 0.000 0.411 23 A N 0.936 123.805 122.820 0.082 0.000 2.240 23 A HA 0.813 5.133 4.320 0.000 0.000 0.292 23 A C -0.210 177.401 177.584 0.046 0.000 1.121 23 A CA -0.059 52.015 52.037 0.062 0.000 0.851 23 A CB 0.281 19.309 19.000 0.047 0.000 1.167 23 A HN 0.772 nan 8.150 nan 0.000 0.503 24 A N -0.477 122.368 122.820 0.042 0.000 2.466 24 A HA 0.318 4.638 4.320 0.000 0.000 0.238 24 A C 0.631 178.232 177.584 0.029 0.000 1.074 24 A CA 0.234 52.294 52.037 0.038 0.000 0.774 24 A CB -0.211 18.817 19.000 0.047 0.000 1.015 24 A HN 0.766 nan 8.150 nan 0.000 0.498 25 D N 0.573 120.987 120.400 0.022 0.000 2.228 25 D HA -0.116 4.524 4.640 0.000 0.000 0.203 25 D C 1.458 177.768 176.300 0.017 0.000 0.988 25 D CA 2.238 56.247 54.000 0.016 0.000 0.864 25 D CB -0.002 40.805 40.800 0.011 0.000 0.928 25 D HN 0.586 nan 8.370 nan 0.000 0.469 26 S N -0.859 114.854 115.700 0.022 0.000 2.661 26 S HA 0.218 4.688 4.470 0.000 0.000 0.245 26 S C -0.016 174.599 174.600 0.025 0.000 1.117 26 S CA -0.520 57.693 58.200 0.021 0.000 1.091 26 S CB 0.615 63.827 63.200 0.021 0.000 0.887 26 S HN -0.134 nan 8.310 nan 0.000 0.491 27 D N 0.701 121.116 120.400 0.025 0.000 3.041 27 D HA -0.191 4.449 4.640 0.000 0.000 0.214 27 D C 0.552 176.869 176.300 0.028 0.000 1.153 27 D CA 1.552 55.566 54.000 0.024 0.000 0.972 27 D CB -1.557 39.254 40.800 0.018 0.000 1.126 27 D HN 0.905 nan 8.370 nan 0.000 0.400 28 A N 0.060 122.903 122.820 0.038 0.000 2.462 28 A HA 0.521 4.841 4.320 0.000 0.000 0.243 28 A C 1.068 178.689 177.584 0.062 0.000 1.076 28 A CA 0.953 53.022 52.037 0.053 0.000 0.773 28 A CB 0.573 19.612 19.000 0.064 0.000 1.010 28 A HN 0.358 nan 8.150 nan 0.000 0.493 29 T N -1.115 113.480 114.554 0.067 0.000 2.804 29 T HA 0.836 5.186 4.350 0.000 0.000 0.290 29 T C -0.529 174.259 174.700 0.148 0.000 1.099 29 T CA -0.253 61.869 62.100 0.036 0.000 1.011 29 T CB 1.171 70.008 68.868 -0.052 0.000 1.291 29 T HN 1.576 nan 8.240 nan 0.000 0.523 30 F N -1.450 118.498 119.950 -0.002 0.000 2.685 30 F HA 0.873 5.400 4.527 0.000 0.000 0.315 30 F C -0.730 175.042 175.800 -0.047 0.000 1.126 30 F CA -1.251 56.745 58.000 -0.006 0.000 0.950 30 F CB 1.228 40.229 39.000 0.001 0.000 1.360 30 F HN 0.787 nan 8.300 nan 0.000 0.469 31 E N 0.687 120.932 120.200 0.076 0.000 2.248 31 E HA 0.699 5.049 4.350 0.000 0.000 0.272 31 E C -1.583 174.851 176.600 -0.276 0.000 1.008 31 E CA -1.037 55.220 56.400 -0.238 0.000 0.856 31 E CB 2.081 31.571 29.700 -0.350 0.000 1.120 31 E HN 0.583 nan 8.360 nan 0.000 0.397 32 V N 3.671 123.306 119.914 -0.465 0.000 2.540 32 V HA 0.435 4.555 4.120 0.000 0.000 0.302 32 V C -1.020 174.843 176.094 -0.384 0.000 1.035 32 V CA -0.691 61.454 62.300 -0.258 0.000 0.873 32 V CB 0.936 32.681 31.823 -0.131 0.000 0.992 32 V HN 0.519 nan 8.190 nan 0.000 0.428 33 F N 1.445 121.467 119.950 0.120 0.000 2.522 33 F HA 0.445 4.973 4.527 0.000 0.000 0.324 33 F C 0.403 176.238 175.800 0.058 0.000 1.077 33 F CA -0.886 57.165 58.000 0.084 0.000 0.944 33 F CB 1.278 40.315 39.000 0.061 0.000 1.175 33 F HN 0.446 nan 8.300 nan 0.000 0.468 34 D N 4.294 124.826 120.400 0.220 0.000 2.401 34 D HA 0.066 4.706 4.640 0.000 0.000 0.254 34 D C -1.611 174.711 176.300 0.037 0.000 1.192 34 D CA -1.533 52.525 54.000 0.098 0.000 0.885 34 D CB 1.462 42.295 40.800 0.055 0.000 1.147 34 D HN 0.199 nan 8.370 nan 0.000 0.478 35 P HA 0.017 nan 4.420 nan 0.000 0.236 35 P C 0.523 177.739 177.300 -0.140 0.000 1.177 35 P CA 0.350 63.411 63.100 -0.066 0.000 0.773 35 P CB 0.425 32.068 31.700 -0.095 0.000 0.878 36 A N 0.067 122.813 122.820 -0.124 0.000 2.063 36 A HA 0.101 4.421 4.320 0.000 0.000 0.211 36 A C 1.771 179.307 177.584 -0.079 0.000 1.177 36 A CA 1.562 53.587 52.037 -0.020 0.000 0.759 36 A CB -0.694 18.377 19.000 0.118 0.000 0.857 36 A HN 0.304 nan 8.150 nan 0.000 0.468 37 T N -6.296 108.080 114.554 -0.296 0.000 3.087 37 T HA 0.435 4.785 4.350 0.000 0.000 0.283 37 T C 1.315 175.742 174.700 -0.455 0.000 0.956 37 T CA 0.992 62.852 62.100 -0.400 0.000 0.894 37 T CB 0.375 69.196 68.868 -0.079 0.000 1.160 37 T HN 1.626 nan 8.240 nan 0.000 0.532 38 G N 2.702 111.274 108.800 -0.379 0.000 2.184 38 G HA2 -0.313 3.647 3.960 0.000 0.000 0.264 38 G HA3 -0.313 3.647 3.960 0.000 0.000 0.264 38 G C -0.045 174.936 174.900 0.135 0.000 0.975 38 G CA 0.419 45.477 45.100 -0.070 0.000 0.642 38 G HN 1.080 nan 8.290 nan 0.000 0.536 39 E N 0.516 120.795 120.200 0.133 0.000 2.383 39 E HA 0.482 4.832 4.350 0.000 0.000 0.264 39 E C 0.308 177.100 176.600 0.320 0.000 1.050 39 E CA 0.099 56.617 56.400 0.196 0.000 0.896 39 E CB 0.988 30.747 29.700 0.100 0.000 0.982 39 E HN 0.251 nan 8.360 nan 0.000 0.424 40 S N 1.339 117.222 115.700 0.305 0.000 2.498 40 S HA 0.113 4.583 4.470 0.000 0.000 0.281 40 S C 0.815 175.424 174.600 0.014 0.000 1.265 40 S CA 0.069 58.328 58.200 0.098 0.000 1.071 40 S CB 0.001 63.252 63.200 0.084 0.000 0.894 40 S HN 0.590 nan 8.310 nan 0.000 0.491 41 L N 3.837 125.042 121.223 -0.029 0.000 2.567 41 L HA 0.623 4.963 4.340 0.000 0.000 0.225 41 L C 1.387 178.300 176.870 0.072 0.000 1.119 41 L CA 0.923 55.774 54.840 0.017 0.000 0.871 41 L CB -1.812 40.299 42.059 0.086 0.000 1.036 41 L HN 1.221 nan 8.230 nan 0.000 0.459 42 G N -1.550 107.288 108.800 0.063 0.000 2.316 42 G HA2 0.405 4.365 3.960 0.000 0.000 0.349 42 G HA3 0.405 4.365 3.960 0.000 0.000 0.349 42 G C -0.206 174.748 174.900 0.090 0.000 1.274 42 G CA 0.416 45.590 45.100 0.123 0.000 1.018 42 G HN 1.394 nan 8.290 nan 0.000 0.486 43 T N -2.248 112.381 114.554 0.125 0.000 2.924 43 T HA 0.918 5.268 4.350 0.000 0.000 0.291 43 T C -0.070 174.640 174.700 0.016 0.000 1.045 43 T CA -0.118 61.964 62.100 -0.030 0.000 1.015 43 T CB 1.745 70.560 68.868 -0.089 0.000 1.103 43 T HN 2.163 nan 8.240 nan 0.000 0.496 44 V N -2.219 117.494 119.914 -0.335 0.000 3.049 44 V HA 0.744 4.864 4.120 0.000 0.000 0.309 44 V C -3.190 172.678 176.094 -0.376 0.000 1.148 44 V CA -3.151 58.936 62.300 -0.356 0.000 0.990 44 V CB 1.416 32.898 31.823 -0.568 0.000 1.039 44 V HN 0.695 nan 8.190 nan 0.000 0.430 45 P HA 0.170 nan 4.420 nan 0.000 0.269 45 P C -0.922 176.438 177.300 0.099 0.000 1.217 45 P CA -0.005 63.087 63.100 -0.013 0.000 0.783 45 P CB 0.391 32.114 31.700 0.039 0.000 0.898 46 K N 2.837 123.335 120.400 0.163 0.000 2.562 46 K HA 0.328 4.648 4.320 0.000 0.000 0.206 46 K C -0.410 176.268 176.600 0.129 0.000 1.033 46 K CA -0.177 56.260 56.287 0.249 0.000 1.029 46 K CB -0.064 32.599 32.500 0.271 0.000 1.393 46 K HN 0.418 nan 8.250 nan 0.000 0.539 47 M N 0.415 120.081 119.600 0.110 0.000 2.527 47 M HA 0.552 5.032 4.480 0.000 0.000 0.283 47 M C 0.733 177.057 176.300 0.041 0.000 1.188 47 M CA -0.591 54.745 55.300 0.061 0.000 0.941 47 M CB 1.593 34.223 32.600 0.049 0.000 1.498 47 M HN 0.605 nan 8.290 nan 0.000 0.510 48 G N -1.006 107.808 108.800 0.022 0.000 2.772 48 G HA2 0.534 4.494 3.960 0.000 0.000 0.284 48 G HA3 0.534 4.494 3.960 0.000 0.000 0.284 48 G C 0.196 175.097 174.900 0.000 0.000 1.217 48 G CA -0.000 45.105 45.100 0.009 0.000 0.831 48 G HN 0.729 nan 8.290 nan 0.000 0.523 49 A N -0.318 122.499 122.820 -0.005 0.000 1.915 49 A HA 0.056 4.376 4.320 0.000 0.000 0.220 49 A C 2.763 180.341 177.584 -0.010 0.000 1.198 49 A CA 3.602 55.633 52.037 -0.010 0.000 0.647 49 A CB -1.200 17.794 19.000 -0.011 0.000 0.825 49 A HN 1.800 nan 8.150 nan 0.000 0.456 50 A N -0.499 122.317 122.820 -0.007 0.000 1.851 50 A HA -0.177 4.143 4.320 0.000 0.000 0.216 50 A C 1.904 179.480 177.584 -0.012 0.000 1.195 50 A CA 2.050 54.082 52.037 -0.008 0.000 0.622 50 A CB -0.654 18.344 19.000 -0.004 0.000 0.831 50 A HN 0.552 nan 8.150 nan 0.000 0.444 51 E N -0.559 119.636 120.200 -0.009 0.000 2.077 51 E HA -0.092 4.258 4.350 0.000 0.000 0.193 51 E C 2.079 178.663 176.600 -0.026 0.000 0.989 51 E CA 1.702 58.093 56.400 -0.016 0.000 0.800 51 E CB -0.550 29.148 29.700 -0.004 0.000 0.746 51 E HN 0.593 nan 8.360 nan 0.000 0.452 52 T N 0.432 114.974 114.554 -0.020 0.000 2.788 52 T HA -0.152 4.198 4.350 0.000 0.000 0.268 52 T C 1.923 176.603 174.700 -0.033 0.000 1.044 52 T CA 1.219 63.303 62.100 -0.026 0.000 1.139 52 T CB -0.290 68.567 68.868 -0.019 0.000 0.867 52 T HN 0.288 nan 8.240 nan 0.000 0.454 53 A N 1.609 124.413 122.820 -0.028 0.000 1.930 53 A HA -0.044 4.276 4.320 0.000 0.000 0.217 53 A C 2.397 179.961 177.584 -0.033 0.000 1.175 53 A CA 1.002 53.022 52.037 -0.028 0.000 0.627 53 A CB -0.378 18.609 19.000 -0.021 0.000 0.815 53 A HN 0.356 nan 8.150 nan 0.000 0.443 54 R N -0.534 119.943 120.500 -0.038 0.000 2.075 54 R HA -0.066 4.274 4.340 0.000 0.000 0.232 54 R C 2.537 178.797 176.300 -0.066 0.000 1.126 54 R CA 1.152 57.224 56.100 -0.047 0.000 0.963 54 R CB -0.470 29.800 30.300 -0.049 0.000 0.858 54 R HN 0.510 nan 8.270 nan 0.000 0.435 55 A N 1.531 124.306 122.820 -0.075 0.000 1.865 55 A HA -0.181 4.139 4.320 0.000 0.000 0.217 55 A C 2.180 179.713 177.584 -0.085 0.000 1.191 55 A CA 1.375 53.353 52.037 -0.098 0.000 0.623 55 A CB -0.610 18.335 19.000 -0.093 0.000 0.826 55 A HN 0.181 nan 8.150 nan 0.000 0.444 56 I N -0.498 120.034 120.570 -0.064 0.000 2.151 56 I HA -0.304 3.866 4.170 0.000 0.000 0.243 56 I C 2.526 178.615 176.117 -0.046 0.000 1.080 56 I CA 1.918 63.184 61.300 -0.057 0.000 1.339 56 I CB -0.416 37.557 38.000 -0.046 0.000 1.039 56 I HN 0.437 nan 8.210 nan 0.000 0.409 57 E N 0.470 120.648 120.200 -0.037 0.000 2.204 57 E HA -0.175 4.175 4.350 0.000 0.000 0.194 57 E C 2.272 178.858 176.600 -0.022 0.000 0.989 57 E CA 1.045 57.432 56.400 -0.021 0.000 0.824 57 E CB -0.115 29.573 29.700 -0.019 0.000 0.756 57 E HN 0.532 nan 8.360 nan 0.000 0.477 58 A N 1.168 123.959 122.820 -0.048 0.000 1.929 58 A HA -0.017 4.303 4.320 0.000 0.000 0.216 58 A C 2.334 179.889 177.584 -0.048 0.000 1.176 58 A CA 1.345 53.346 52.037 -0.061 0.000 0.628 58 A CB -0.400 18.535 19.000 -0.108 0.000 0.816 58 A HN 0.284 nan 8.150 nan 0.000 0.444 59 A N -0.813 121.973 122.820 -0.057 0.000 1.969 59 A HA -0.187 4.133 4.320 0.000 0.000 0.218 59 A C 2.165 179.767 177.584 0.029 0.000 1.169 59 A CA 1.669 53.675 52.037 -0.052 0.000 0.635 59 A CB -0.476 18.469 19.000 -0.092 0.000 0.810 59 A HN 0.644 nan 8.150 nan 0.000 0.445 60 Q N -0.664 119.164 119.800 0.048 0.000 2.123 60 Q HA -0.052 4.288 4.340 0.000 0.000 0.199 60 Q C 2.139 178.246 176.000 0.179 0.000 0.966 60 Q CA 1.199 57.089 55.803 0.146 0.000 0.845 60 Q CB -0.263 28.537 28.738 0.103 0.000 0.907 60 Q HN 0.601 nan 8.270 nan 0.000 0.439 61 A N 0.342 123.219 122.820 0.096 0.000 2.015 61 A HA 0.008 4.328 4.320 0.000 0.000 0.219 61 A C 2.068 179.707 177.584 0.093 0.000 1.163 61 A CA 1.358 53.441 52.037 0.076 0.000 0.646 61 A CB -0.464 18.556 19.000 0.032 0.000 0.806 61 A HN 0.483 nan 8.150 nan 0.000 0.448 62 A N -2.177 120.705 122.820 0.103 0.000 2.123 62 A HA 0.082 4.402 4.320 0.000 0.000 0.214 62 A C 1.743 179.478 177.584 0.252 0.000 1.152 62 A CA 0.941 53.048 52.037 0.116 0.000 0.728 62 A CB -0.583 18.433 19.000 0.025 0.000 0.814 62 A HN 0.775 nan 8.150 nan 0.000 0.464 63 W N 1.172 122.514 121.300 0.070 0.000 2.379 63 W HA -0.075 4.585 4.660 0.000 0.000 0.307 63 W C 2.302 178.903 176.519 0.138 0.000 1.200 63 W CA 1.405 58.826 57.345 0.127 0.000 1.297 63 W CB -0.694 28.818 29.460 0.087 0.000 1.140 63 W HN 0.332 nan 8.180 nan 0.000 0.507 64 A N 0.720 123.540 122.820 0.000 0.000 1.892 64 A HA -0.144 4.176 4.320 0.000 0.000 0.218 64 A C 2.292 179.848 177.584 -0.048 0.000 1.188 64 A CA 2.539 54.481 52.037 -0.159 0.000 0.631 64 A CB -1.620 17.318 19.000 -0.104 0.000 0.822 64 A HN 0.429 nan 8.150 nan 0.000 0.447 65 G N -2.481 106.358 108.800 0.065 0.000 2.464 65 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 65 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 65 G C 1.470 176.477 174.900 0.178 0.000 1.138 65 G CA 0.711 45.867 45.100 0.093 0.000 0.793 65 G HN 0.694 nan 8.290 nan 0.000 0.539 66 W N 2.496 123.823 121.300 0.044 0.000 2.441 66 W HA -0.055 4.605 4.660 0.000 0.000 0.302 66 W C 2.643 179.204 176.519 0.069 0.000 1.191 66 W CA 0.978 58.369 57.345 0.077 0.000 1.327 66 W CB 0.095 29.637 29.460 0.136 0.000 1.128 66 W HN 0.290 nan 8.180 nan 0.000 0.522 67 R N 0.335 120.870 120.500 0.058 0.000 2.189 67 R HA -0.153 4.187 4.340 0.000 0.000 0.223 67 R C 2.098 178.304 176.300 -0.156 0.000 1.092 67 R CA 1.484 57.530 56.100 -0.091 0.000 0.989 67 R CB -1.051 29.183 30.300 -0.110 0.000 0.876 67 R HN 0.229 nan 8.270 nan 0.000 0.457 68 M N 1.240 120.764 119.600 -0.127 0.000 2.319 68 M HA 0.028 4.508 4.480 0.000 0.000 0.265 68 M C 0.081 176.310 176.300 -0.119 0.000 1.068 68 M CA 1.068 56.302 55.300 -0.110 0.000 1.118 68 M CB 0.244 32.799 32.600 -0.076 0.000 1.395 68 M HN 0.037 nan 8.290 nan 0.000 0.435 69 K N 1.518 121.821 120.400 -0.161 0.000 2.440 69 K HA 0.005 4.325 4.320 0.000 0.000 0.270 69 K C 0.435 176.916 176.600 -0.198 0.000 0.980 69 K CA 0.342 56.514 56.287 -0.191 0.000 0.953 69 K CB 0.231 32.548 32.500 -0.303 0.000 0.925 69 K HN 0.285 nan 8.250 nan 0.000 0.497 70 T N -1.404 113.059 114.554 -0.151 0.000 2.868 70 T HA 0.206 4.556 4.350 0.000 0.000 0.292 70 T C 1.378 175.982 174.700 -0.159 0.000 1.028 70 T CA -0.309 61.714 62.100 -0.128 0.000 1.059 70 T CB 1.398 70.214 68.868 -0.086 0.000 0.991 70 T HN 0.562 nan 8.240 nan 0.000 0.531 71 A N 1.296 124.041 122.820 -0.125 0.000 1.908 71 A HA -0.113 4.207 4.320 0.000 0.000 0.218 71 A C 2.385 179.914 177.584 -0.092 0.000 1.181 71 A CA 2.059 54.028 52.037 -0.113 0.000 0.627 71 A CB -0.990 17.965 19.000 -0.075 0.000 0.818 71 A HN 0.990 nan 8.150 nan 0.000 0.445 72 K N -0.359 119.996 120.400 -0.076 0.000 2.001 72 K HA -0.240 4.080 4.320 0.000 0.000 0.214 72 K C 2.024 178.594 176.600 -0.050 0.000 1.050 72 K CA 2.074 58.328 56.287 -0.055 0.000 0.934 72 K CB -0.225 32.247 32.500 -0.047 0.000 0.718 72 K HN 0.654 nan 8.250 nan 0.000 0.443 73 E N -0.208 119.951 120.200 -0.069 0.000 2.038 73 E HA -0.216 4.134 4.350 0.000 0.000 0.195 73 E C 2.151 178.714 176.600 -0.062 0.000 1.000 73 E CA 1.485 57.849 56.400 -0.060 0.000 0.803 73 E CB -0.026 29.625 29.700 -0.081 0.000 0.750 73 E HN 0.250 nan 8.360 nan 0.000 0.448 74 R N 0.300 120.699 120.500 -0.168 0.000 2.096 74 R HA -0.097 4.243 4.340 0.000 0.000 0.235 74 R C 2.395 178.728 176.300 0.056 0.000 1.127 74 R CA 0.991 56.989 56.100 -0.170 0.000 0.968 74 R CB -0.348 29.684 30.300 -0.448 0.000 0.861 74 R HN 0.128 nan 8.270 nan 0.000 0.440 75 A N 1.513 124.344 122.820 0.018 0.000 1.908 75 A HA -0.156 4.164 4.320 0.000 0.000 0.218 75 A C 2.404 180.037 177.584 0.082 0.000 1.181 75 A CA 1.791 53.858 52.037 0.050 0.000 0.627 75 A CB -0.599 18.399 19.000 -0.004 0.000 0.818 75 A HN 0.404 nan 8.150 nan 0.000 0.445 76 A N -0.067 122.794 122.820 0.068 0.000 1.877 76 A HA -0.068 4.252 4.320 0.000 0.000 0.216 76 A C 2.111 179.780 177.584 0.142 0.000 1.186 76 A CA 1.518 53.607 52.037 0.086 0.000 0.620 76 A CB -0.618 18.417 19.000 0.059 0.000 0.822 76 A HN 0.498 nan 8.150 nan 0.000 0.443 77 I N -0.380 120.296 120.570 0.176 0.000 2.226 77 I HA -0.254 3.916 4.170 0.000 0.000 0.245 77 I C 2.307 178.604 176.117 0.300 0.000 1.100 77 I CA 1.072 62.512 61.300 0.233 0.000 1.374 77 I CB -0.303 37.880 38.000 0.306 0.000 1.057 77 I HN 0.270 nan 8.210 nan 0.000 0.413 78 L N 0.102 121.526 121.223 0.334 0.000 2.141 78 L HA -0.155 4.185 4.340 0.000 0.000 0.209 78 L C 2.728 179.822 176.870 0.374 0.000 1.094 78 L CA 1.063 56.162 54.840 0.431 0.000 0.763 78 L CB -0.457 41.831 42.059 0.381 0.000 0.908 78 L HN 0.187 nan 8.230 nan 0.000 0.437 79 R N 0.176 120.828 120.500 0.253 0.000 2.092 79 R HA -0.108 4.232 4.340 0.000 0.000 0.231 79 R C 2.443 178.923 176.300 0.300 0.000 1.119 79 R CA 1.086 57.326 56.100 0.232 0.000 0.970 79 R CB -0.016 30.358 30.300 0.123 0.000 0.864 79 R HN 0.204 nan 8.270 nan 0.000 0.440 80 R N -0.837 119.815 120.500 0.254 0.000 2.120 80 R HA -0.187 4.154 4.340 0.000 0.000 0.234 80 R C 1.852 178.322 176.300 0.282 0.000 1.123 80 R CA 1.508 57.740 56.100 0.221 0.000 0.975 80 R CB -0.372 30.029 30.300 0.169 0.000 0.866 80 R HN 0.363 nan 8.270 nan 0.000 0.446 81 W N 0.929 122.304 121.300 0.125 0.000 2.381 81 W HA -0.183 4.477 4.660 0.000 0.000 0.301 81 W C 1.798 178.396 176.519 0.132 0.000 1.205 81 W CA 0.631 58.039 57.345 0.105 0.000 1.285 81 W CB -0.801 28.727 29.460 0.114 0.000 1.133 81 W HN -0.013 nan 8.180 nan 0.000 0.521 82 F N 2.054 122.012 119.950 0.014 0.000 2.069 82 F HA -0.279 4.248 4.527 0.000 0.000 0.298 82 F C 2.083 177.851 175.800 -0.053 0.000 1.113 82 F CA 2.707 60.635 58.000 -0.120 0.000 1.214 82 F CB -0.797 38.172 39.000 -0.051 0.000 0.978 82 F HN -0.246 nan 8.300 nan 0.000 0.474 83 D N 0.792 121.154 120.400 -0.063 0.000 2.104 83 D HA -0.205 4.435 4.640 0.000 0.000 0.194 83 D C 2.451 178.661 176.300 -0.150 0.000 0.994 83 D CA 1.809 55.719 54.000 -0.150 0.000 0.830 83 D CB -0.643 40.186 40.800 0.049 0.000 0.959 83 D HN 0.368 nan 8.370 nan 0.000 0.452 84 L N 0.280 121.480 121.223 -0.039 0.000 2.093 84 L HA -0.124 4.216 4.340 0.000 0.000 0.208 84 L C 2.518 179.354 176.870 -0.056 0.000 1.085 84 L CA 0.423 55.255 54.840 -0.013 0.000 0.755 84 L CB -0.140 41.963 42.059 0.074 0.000 0.904 84 L HN -0.067 nan 8.230 nan 0.000 0.435 85 V N -0.124 119.714 119.914 -0.126 0.000 2.407 85 V HA -0.274 3.846 4.120 0.000 0.000 0.248 85 V C 2.343 178.316 176.094 -0.201 0.000 1.055 85 V CA 1.329 63.529 62.300 -0.165 0.000 1.049 85 V CB -0.293 31.356 31.823 -0.289 0.000 0.662 85 V HN 0.296 nan 8.190 nan 0.000 0.455 86 I N 0.465 120.836 120.570 -0.331 0.000 2.233 86 I HA -0.146 4.024 4.170 0.000 0.000 0.243 86 I C 2.732 178.752 176.117 -0.162 0.000 1.093 86 I CA 1.777 62.897 61.300 -0.301 0.000 1.380 86 I CB -1.490 36.224 38.000 -0.477 0.000 1.067 86 I HN 0.309 nan 8.210 nan 0.000 0.413 87 A N 1.102 123.841 122.820 -0.134 0.000 1.908 87 A HA -0.175 4.146 4.320 0.000 0.000 0.218 87 A C 1.760 179.316 177.584 -0.046 0.000 1.181 87 A CA 1.570 53.564 52.037 -0.072 0.000 0.627 87 A CB -0.667 18.301 19.000 -0.052 0.000 0.818 87 A HN 0.505 nan 8.150 nan 0.000 0.445 88 N N -0.010 118.667 118.700 -0.040 0.000 2.295 88 N HA 0.013 4.753 4.740 0.000 0.000 0.221 88 N C 1.304 176.808 175.510 -0.009 0.000 1.129 88 N CA 0.680 53.723 53.050 -0.012 0.000 0.836 88 N CB 0.404 38.897 38.487 0.012 0.000 1.040 88 N HN 0.530 nan 8.380 nan 0.000 0.494 89 S N 1.606 117.289 115.700 -0.029 0.000 2.374 89 S HA -0.178 4.292 4.470 0.000 0.000 0.227 89 S C 1.355 175.954 174.600 -0.001 0.000 1.037 89 S CA 1.346 59.533 58.200 -0.021 0.000 1.024 89 S CB 0.069 63.248 63.200 -0.036 0.000 0.861 89 S HN 0.195 nan 8.310 nan 0.000 0.456 90 D N 1.283 121.681 120.400 -0.003 0.000 2.117 90 D HA -0.059 4.581 4.640 0.000 0.000 0.198 90 D C 1.745 178.049 176.300 0.006 0.000 0.982 90 D CA 1.275 55.277 54.000 0.002 0.000 0.828 90 D CB -0.528 40.271 40.800 -0.001 0.000 0.967 90 D HN 0.542 nan 8.370 nan 0.000 0.464 91 D N 0.644 121.048 120.400 0.007 0.000 2.117 91 D HA -0.081 4.559 4.640 0.000 0.000 0.198 91 D C 2.412 178.722 176.300 0.017 0.000 0.982 91 D CA 0.390 54.394 54.000 0.008 0.000 0.828 91 D CB -0.165 40.642 40.800 0.013 0.000 0.967 91 D HN 0.234 nan 8.370 nan 0.000 0.464 92 L N 0.967 122.208 121.223 0.030 0.000 2.131 92 L HA -0.132 4.208 4.340 0.000 0.000 0.210 92 L C 2.636 179.534 176.870 0.047 0.000 1.092 92 L CA 0.740 55.609 54.840 0.049 0.000 0.759 92 L CB -0.387 41.707 42.059 0.059 0.000 0.903 92 L HN -0.031 nan 8.230 nan 0.000 0.435 93 A N 0.233 123.074 122.820 0.034 0.000 1.858 93 A HA -0.242 4.078 4.320 0.000 0.000 0.216 93 A C 2.228 179.827 177.584 0.026 0.000 1.190 93 A CA 1.765 53.822 52.037 0.032 0.000 0.617 93 A CB -0.734 18.280 19.000 0.024 0.000 0.827 93 A HN 0.318 nan 8.150 nan 0.000 0.443 94 L N -0.055 121.176 121.223 0.014 0.000 2.046 94 L HA -0.106 4.234 4.340 0.000 0.000 0.208 94 L C 2.298 179.167 176.870 -0.000 0.000 1.077 94 L CA 1.543 56.385 54.840 0.004 0.000 0.747 94 L CB -0.288 41.767 42.059 -0.007 0.000 0.896 94 L HN 0.459 nan 8.230 nan 0.000 0.432 95 I N -1.012 119.557 120.570 -0.002 0.000 2.208 95 I HA -0.349 3.821 4.170 0.000 0.000 0.245 95 I C 2.457 178.605 176.117 0.053 0.000 1.097 95 I CA 1.681 62.977 61.300 -0.006 0.000 1.363 95 I CB -0.387 37.615 38.000 0.003 0.000 1.051 95 I HN 0.338 nan 8.210 nan 0.000 0.413 96 L N 0.136 121.398 121.223 0.064 0.000 2.027 96 L HA -0.208 4.132 4.340 0.000 0.000 0.206 96 L C 2.610 179.513 176.870 0.055 0.000 1.074 96 L CA 1.693 56.579 54.840 0.077 0.000 0.745 96 L CB -0.313 41.788 42.059 0.069 0.000 0.898 96 L HN 0.194 nan 8.230 nan 0.000 0.433 97 T N -0.999 113.575 114.554 0.035 0.000 2.777 97 T HA -0.165 4.185 4.350 0.000 0.000 0.266 97 T C 1.710 176.426 174.700 0.028 0.000 1.040 97 T CA 1.894 64.009 62.100 0.024 0.000 1.141 97 T CB -0.293 68.587 68.868 0.019 0.000 0.868 97 T HN 0.443 nan 8.240 nan 0.000 0.444 98 T N 2.142 116.712 114.554 0.027 0.000 2.788 98 T HA -0.133 4.217 4.350 0.000 0.000 0.268 98 T C 1.940 176.674 174.700 0.057 0.000 1.044 98 T CA 1.597 63.712 62.100 0.024 0.000 1.139 98 T CB -0.234 68.628 68.868 -0.009 0.000 0.867 98 T HN 0.757 nan 8.240 nan 0.000 0.454 99 E N -0.158 120.100 120.200 0.096 0.000 2.415 99 E HA 0.066 4.416 4.350 0.000 0.000 0.197 99 E C 2.166 178.833 176.600 0.112 0.000 1.007 99 E CA 0.215 56.710 56.400 0.158 0.000 0.890 99 E CB 0.058 29.943 29.700 0.308 0.000 0.891 99 E HN 0.266 nan 8.360 nan 0.000 0.496 100 Q N -0.129 119.720 119.800 0.081 0.000 2.477 100 Q HA 0.132 4.472 4.340 0.000 0.000 0.252 100 Q C 1.218 177.226 176.000 0.014 0.000 0.869 100 Q CA 1.424 57.267 55.803 0.067 0.000 0.969 100 Q CB 1.294 30.087 28.738 0.093 0.000 1.144 100 Q HN 0.417 nan 8.270 nan 0.000 0.577 101 G N 1.805 110.603 108.800 -0.003 0.000 2.391 101 G HA2 -0.244 3.716 3.960 0.000 0.000 0.204 101 G HA3 -0.244 3.716 3.960 0.000 0.000 0.204 101 G C -0.014 174.865 174.900 -0.036 0.000 1.012 101 G CA 0.091 45.164 45.100 -0.045 0.000 0.651 101 G HN 0.384 nan 8.290 nan 0.000 0.494 102 K N 1.795 122.177 120.400 -0.029 0.000 2.469 102 K HA 0.410 4.730 4.320 0.000 0.000 0.274 102 K C -2.431 174.166 176.600 -0.005 0.000 0.983 102 K CA -0.759 55.511 56.287 -0.029 0.000 0.974 102 K CB 0.277 32.736 32.500 -0.069 0.000 0.913 102 K HN 0.158 nan 8.250 nan 0.000 0.493 103 P HA -0.112 nan 4.420 nan 0.000 0.270 103 P C 0.845 178.153 177.300 0.014 0.000 1.221 103 P CA -0.180 62.932 63.100 0.020 0.000 0.788 103 P CB 0.430 32.144 31.700 0.023 0.000 0.904 104 L N 1.263 122.496 121.223 0.018 0.000 1.989 104 L HA -0.283 4.057 4.340 0.000 0.000 0.211 104 L C 2.335 179.215 176.870 0.017 0.000 1.071 104 L CA 2.367 57.217 54.840 0.016 0.000 0.749 104 L CB -1.091 40.977 42.059 0.015 0.000 0.890 104 L HN 0.448 nan 8.230 nan 0.000 0.431 105 A N -0.311 122.518 122.820 0.016 0.000 1.927 105 A HA -0.277 4.043 4.320 0.000 0.000 0.220 105 A C 2.083 179.679 177.584 0.020 0.000 1.185 105 A CA 2.091 54.138 52.037 0.017 0.000 0.639 105 A CB -0.532 18.478 19.000 0.015 0.000 0.820 105 A HN 0.535 nan 8.150 nan 0.000 0.451 106 E N -0.657 119.553 120.200 0.017 0.000 2.072 106 E HA -0.062 4.288 4.350 0.000 0.000 0.190 106 E C 2.385 178.998 176.600 0.021 0.000 0.982 106 E CA 0.846 57.255 56.400 0.015 0.000 0.803 106 E CB -0.279 29.419 29.700 -0.003 0.000 0.755 106 E HN 0.630 nan 8.360 nan 0.000 0.453 107 A N 1.853 124.682 122.820 0.016 0.000 1.933 107 A HA -0.200 4.120 4.320 0.000 0.000 0.218 107 A C 1.985 179.599 177.584 0.050 0.000 1.175 107 A CA 1.320 53.374 52.037 0.028 0.000 0.628 107 A CB -0.247 18.767 19.000 0.022 0.000 0.814 107 A HN 0.039 nan 8.150 nan 0.000 0.444 108 K N -0.799 119.624 120.400 0.039 0.000 2.026 108 K HA -0.103 4.217 4.320 0.000 0.000 0.208 108 K C 2.178 178.811 176.600 0.055 0.000 1.048 108 K CA 1.102 57.412 56.287 0.039 0.000 0.929 108 K CB -0.538 31.976 32.500 0.025 0.000 0.713 108 K HN 0.461 nan 8.250 nan 0.000 0.439 109 G N 1.530 110.363 108.800 0.055 0.000 2.469 109 G HA2 -0.336 3.624 3.960 0.000 0.000 0.219 109 G HA3 -0.336 3.624 3.960 0.000 0.000 0.219 109 G C 1.367 176.341 174.900 0.124 0.000 1.150 109 G CA 1.142 46.282 45.100 0.067 0.000 0.763 109 G HN 0.446 nan 8.290 nan 0.000 0.561 110 E N -0.079 120.214 120.200 0.155 0.000 2.106 110 E HA -0.086 4.264 4.350 0.000 0.000 0.192 110 E C 2.457 179.210 176.600 0.256 0.000 0.984 110 E CA 0.467 57.033 56.400 0.277 0.000 0.806 110 E CB -0.075 29.793 29.700 0.279 0.000 0.750 110 E HN 0.334 nan 8.360 nan 0.000 0.458 111 I N 1.384 122.044 120.570 0.151 0.000 2.286 111 I HA -0.211 3.959 4.170 0.000 0.000 0.248 111 I C 2.514 178.680 176.117 0.082 0.000 1.115 111 I CA 1.249 62.608 61.300 0.100 0.000 1.392 111 I CB -1.546 36.484 38.000 0.050 0.000 1.065 111 I HN 0.167 nan 8.210 nan 0.000 0.418 112 A N 0.316 123.192 122.820 0.094 0.000 1.855 112 A HA -0.267 4.053 4.320 0.000 0.000 0.215 112 A C 2.356 180.015 177.584 0.125 0.000 1.191 112 A CA 1.260 53.345 52.037 0.080 0.000 0.613 112 A CB -1.215 17.827 19.000 0.069 0.000 0.829 112 A HN 0.386 nan 8.150 nan 0.000 0.442 113 Y N 0.849 121.158 120.300 0.015 0.000 2.030 113 Y HA -0.325 4.225 4.550 0.000 0.000 0.272 113 Y C 2.765 178.719 175.900 0.089 0.000 1.185 113 Y CA 1.738 59.835 58.100 -0.005 0.000 1.120 113 Y CB -0.912 37.582 38.460 0.057 0.000 0.955 113 Y HN 0.324 nan 8.280 nan 0.000 0.495 114 A N 0.040 122.967 122.820 0.179 0.000 1.908 114 A HA -0.166 4.154 4.320 0.000 0.000 0.218 114 A C 2.470 180.090 177.584 0.061 0.000 1.181 114 A CA 2.483 54.593 52.037 0.122 0.000 0.627 114 A CB -1.571 17.495 19.000 0.110 0.000 0.818 114 A HN 0.653 nan 8.150 nan 0.000 0.445 115 A N 0.161 123.003 122.820 0.037 0.000 1.898 115 A HA -0.066 4.254 4.320 0.000 0.000 0.216 115 A C 2.506 180.234 177.584 0.239 0.000 1.181 115 A CA 2.270 54.359 52.037 0.087 0.000 0.620 115 A CB -1.038 17.945 19.000 -0.027 0.000 0.819 115 A HN 1.104 nan 8.150 nan 0.000 0.442 116 S N -1.023 114.730 115.700 0.088 0.000 2.419 116 S HA -0.155 4.315 4.470 0.000 0.000 0.235 116 S C 1.665 176.142 174.600 -0.205 0.000 1.019 116 S CA 1.497 59.658 58.200 -0.065 0.000 0.982 116 S CB -0.728 62.352 63.200 -0.200 0.000 0.789 116 S HN 0.343 nan 8.310 nan 0.000 0.490 117 F N 1.668 121.536 119.950 -0.137 0.000 2.163 117 F HA 0.241 4.768 4.527 0.000 0.000 0.297 117 F C 2.196 178.006 175.800 0.017 0.000 1.094 117 F CA 0.337 58.252 58.000 -0.142 0.000 1.290 117 F CB -0.520 38.390 39.000 -0.149 0.000 1.017 117 F HN 0.180 nan 8.300 nan 0.000 0.483 118 I N -0.189 120.491 120.570 0.183 0.000 2.142 118 I HA -0.304 3.866 4.170 0.000 0.000 0.240 118 I C 2.524 178.691 176.117 0.083 0.000 1.078 118 I CA 1.697 63.071 61.300 0.123 0.000 1.343 118 I CB -0.573 37.362 38.000 -0.108 0.000 1.046 118 I HN 0.166 nan 8.210 nan 0.000 0.405 119 E N 0.905 121.048 120.200 -0.095 0.000 2.049 119 E HA -0.302 4.049 4.350 0.000 0.000 0.198 119 E C 2.196 178.700 176.600 -0.159 0.000 1.007 119 E CA 1.859 58.049 56.400 -0.351 0.000 0.809 119 E CB -0.328 28.930 29.700 -0.738 0.000 0.749 119 E HN 0.603 nan 8.360 nan 0.000 0.450 120 W N 0.302 121.421 121.300 -0.302 0.000 2.338 120 W HA -0.250 4.410 4.660 0.000 0.000 0.304 120 W C 1.508 177.852 176.519 -0.291 0.000 1.212 120 W CA 1.247 58.374 57.345 -0.363 0.000 1.264 120 W CB -0.362 28.762 29.460 -0.560 0.000 1.142 120 W HN 0.155 nan 8.180 nan 0.000 0.512 121 F N 0.633 120.659 119.950 0.127 0.000 2.416 121 F HA 0.069 4.596 4.527 0.000 0.000 0.296 121 F C 2.665 178.451 175.800 -0.024 0.000 1.099 121 F CA 1.320 59.351 58.000 0.052 0.000 1.427 121 F CB -1.473 37.614 39.000 0.145 0.000 1.079 121 F HN -0.134 nan 8.300 nan 0.000 0.536 122 A N 0.453 123.354 122.820 0.135 0.000 1.892 122 A HA -0.253 4.067 4.320 0.000 0.000 0.218 122 A C 2.136 179.689 177.584 -0.050 0.000 1.188 122 A CA 2.174 54.245 52.037 0.055 0.000 0.631 122 A CB -0.810 18.201 19.000 0.018 0.000 0.822 122 A HN 0.448 nan 8.150 nan 0.000 0.447 123 E N -0.773 119.324 120.200 -0.171 0.000 2.107 123 E HA -0.129 4.221 4.350 0.000 0.000 0.191 123 E C 1.950 178.390 176.600 -0.267 0.000 0.982 123 E CA 0.901 57.148 56.400 -0.256 0.000 0.809 123 E CB -0.094 29.367 29.700 -0.399 0.000 0.756 123 E HN 0.530 nan 8.360 nan 0.000 0.459 124 E N 0.337 120.365 120.200 -0.287 0.000 2.208 124 E HA -0.079 4.271 4.350 0.000 0.000 0.193 124 E C 2.201 178.790 176.600 -0.019 0.000 0.988 124 E CA 0.734 57.033 56.400 -0.167 0.000 0.828 124 E CB -0.226 29.450 29.700 -0.039 0.000 0.763 124 E HN 0.339 nan 8.360 nan 0.000 0.478 125 G N 1.758 110.570 108.800 0.020 0.000 2.469 125 G HA2 -0.279 3.681 3.960 0.000 0.000 0.220 125 G HA3 -0.279 3.681 3.960 0.000 0.000 0.220 125 G C 1.504 176.393 174.900 -0.018 0.000 1.136 125 G CA 0.632 45.747 45.100 0.025 0.000 0.759 125 G HN 0.235 nan 8.290 nan 0.000 0.562 126 K N -0.301 120.069 120.400 -0.051 0.000 2.525 126 K HA 0.138 4.458 4.320 0.000 0.000 0.192 126 K C 1.709 178.272 176.600 -0.061 0.000 1.029 126 K CA 0.176 56.426 56.287 -0.061 0.000 1.029 126 K CB 0.226 32.681 32.500 -0.075 0.000 0.814 126 K HN 0.174 nan 8.250 nan 0.000 0.503 127 R N 0.220 120.685 120.500 -0.058 0.000 2.549 127 R HA 0.132 4.472 4.340 0.000 0.000 0.344 127 R C -0.504 175.777 176.300 -0.031 0.000 0.979 127 R CA -0.167 55.896 56.100 -0.061 0.000 1.140 127 R CB 1.150 31.390 30.300 -0.099 0.000 1.377 127 R HN -0.130 nan 8.270 nan 0.000 0.541 128 V N 2.105 122.018 119.914 -0.003 0.000 2.425 128 V HA 0.214 4.334 4.120 0.000 0.000 0.276 128 V C 0.387 176.488 176.094 0.011 0.000 1.017 128 V CA -0.026 62.289 62.300 0.025 0.000 1.062 128 V CB 0.557 32.409 31.823 0.048 0.000 0.997 128 V HN 0.212 nan 8.190 nan 0.000 0.476 129 A N 4.560 127.385 122.820 0.008 0.000 2.365 129 A HA 0.900 5.220 4.320 0.000 0.000 0.318 129 A C 0.424 178.016 177.584 0.012 0.000 1.091 129 A CA 0.038 52.074 52.037 -0.001 0.000 0.763 129 A CB 1.632 20.619 19.000 -0.022 0.000 1.248 129 A HN 0.872 nan 8.150 nan 0.000 0.442 130 G N -0.117 108.692 108.800 0.014 0.000 2.695 130 G HA2 0.605 4.565 3.960 0.000 0.000 0.213 130 G HA3 0.605 4.565 3.960 0.000 0.000 0.213 130 G C -0.960 173.949 174.900 0.015 0.000 1.406 130 G CA -0.329 44.785 45.100 0.023 0.000 1.049 130 G HN 0.651 nan 8.290 nan 0.000 0.573 131 D N -0.662 119.751 120.400 0.022 0.000 2.756 131 D HA 0.466 5.106 4.640 0.000 0.000 0.226 131 D C -0.770 175.543 176.300 0.022 0.000 1.186 131 D CA -0.145 53.865 54.000 0.015 0.000 0.845 131 D CB 2.170 42.977 40.800 0.011 0.000 1.610 131 D HN 0.507 nan 8.370 nan 0.000 0.465 132 T N -0.565 113.998 114.554 0.014 0.000 2.792 132 T HA 0.728 5.078 4.350 0.000 0.000 0.280 132 T C -0.320 174.387 174.700 0.011 0.000 0.990 132 T CA -0.678 61.434 62.100 0.019 0.000 0.960 132 T CB 0.839 69.717 68.868 0.015 0.000 0.939 132 T HN 0.197 nan 8.240 nan 0.000 0.439 133 L N 3.429 124.660 121.223 0.013 0.000 2.354 133 L HA 0.591 4.931 4.340 0.000 0.000 0.269 133 L C -2.333 174.539 176.870 0.005 0.000 1.005 133 L CA -2.671 52.169 54.840 0.001 0.000 0.819 133 L CB 2.066 44.115 42.059 -0.017 0.000 1.311 133 L HN 0.476 nan 8.230 nan 0.000 0.423 134 P HA 0.068 nan 4.420 nan 0.000 0.271 134 P C -0.347 176.955 177.300 0.003 0.000 1.226 134 P CA -0.120 62.981 63.100 0.002 0.000 0.765 134 P CB 0.707 32.406 31.700 -0.001 0.000 0.835 135 T N 3.793 118.354 114.554 0.011 0.000 2.913 135 T HA 0.265 4.615 4.350 0.000 0.000 0.297 135 T C -1.141 173.566 174.700 0.011 0.000 1.029 135 T CA -1.304 60.806 62.100 0.017 0.000 1.104 135 T CB 0.031 68.916 68.868 0.028 0.000 0.964 135 T HN 0.336 nan 8.240 nan 0.000 0.532 136 P HA 0.281 nan 4.420 nan 0.000 0.261 136 P C -0.561 176.747 177.300 0.014 0.000 1.268 136 P CA 0.144 63.249 63.100 0.008 0.000 0.833 136 P CB 0.392 32.094 31.700 0.003 0.000 1.231 137 D N 0.105 120.517 120.400 0.020 0.000 2.575 137 D HA 0.348 4.988 4.640 0.000 0.000 0.250 137 D C 0.782 177.094 176.300 0.019 0.000 1.279 137 D CA -0.606 53.407 54.000 0.020 0.000 0.925 137 D CB 2.045 42.861 40.800 0.026 0.000 1.261 137 D HN -0.143 nan 8.370 nan 0.000 0.567 138 A N 4.083 126.912 122.820 0.014 0.000 2.076 138 A HA -0.184 4.137 4.320 0.000 0.000 0.220 138 A C 1.358 178.950 177.584 0.013 0.000 1.160 138 A CA 0.993 53.038 52.037 0.012 0.000 0.653 138 A CB -0.215 18.790 19.000 0.009 0.000 0.801 138 A HN 0.590 nan 8.150 nan 0.000 0.455 139 N N -0.197 118.511 118.700 0.013 0.000 2.370 139 N HA 0.122 4.862 4.740 0.000 0.000 0.198 139 N C -0.181 175.338 175.510 0.015 0.000 1.156 139 N CA 0.493 53.550 53.050 0.012 0.000 0.839 139 N CB 0.271 38.764 38.487 0.009 0.000 0.989 139 N HN 0.534 nan 8.380 nan 0.000 0.468 140 K N -0.103 120.311 120.400 0.023 0.000 2.480 140 K HA 0.528 4.848 4.320 0.000 0.000 0.258 140 K C -0.825 175.797 176.600 0.037 0.000 0.990 140 K CA -0.720 55.586 56.287 0.031 0.000 0.857 140 K CB 1.829 34.356 32.500 0.045 0.000 1.384 140 K HN -0.260 nan 8.250 nan 0.000 0.446 141 R N 1.055 121.583 120.500 0.046 0.000 2.621 141 R HA 0.519 4.859 4.340 0.000 0.000 0.284 141 R C -1.317 175.037 176.300 0.090 0.000 0.998 141 R CA -0.537 55.594 56.100 0.052 0.000 0.895 141 R CB 1.103 31.422 30.300 0.033 0.000 1.195 141 R HN 0.523 nan 8.270 nan 0.000 0.450 142 I N 2.882 123.515 120.570 0.105 0.000 2.339 142 I HA 0.443 4.614 4.170 0.000 0.000 0.290 142 I C -0.585 175.610 176.117 0.130 0.000 0.994 142 I CA -0.920 60.487 61.300 0.178 0.000 1.191 142 I CB 1.680 39.757 38.000 0.128 0.000 1.343 142 I HN 0.085 nan 8.210 nan 0.000 0.458 143 V N 7.236 127.245 119.914 0.160 0.000 2.531 143 V HA 0.423 4.543 4.120 0.000 0.000 0.301 143 V C -0.158 176.024 176.094 0.148 0.000 1.034 143 V CA -0.707 61.658 62.300 0.107 0.000 0.865 143 V CB 2.219 34.078 31.823 0.061 0.000 0.995 143 V HN 0.366 nan 8.190 nan 0.000 0.424 144 V N 5.598 125.577 119.914 0.108 0.000 2.483 144 V HA 0.739 4.859 4.120 0.000 0.000 0.295 144 V C -0.062 176.074 176.094 0.070 0.000 1.035 144 V CA -0.473 61.892 62.300 0.109 0.000 0.896 144 V CB 1.840 33.710 31.823 0.078 0.000 0.986 144 V HN 0.786 nan 8.190 nan 0.000 0.447 145 V N 2.149 122.105 119.914 0.069 0.000 3.141 145 V HA 0.771 4.891 4.120 0.000 0.000 0.312 145 V C -0.849 175.280 176.094 0.058 0.000 1.157 145 V CA -1.067 61.263 62.300 0.050 0.000 1.041 145 V CB 2.351 34.196 31.823 0.036 0.000 1.071 145 V HN 0.788 nan 8.190 nan 0.000 0.441 146 K N 1.102 121.533 120.400 0.053 0.000 2.397 146 K HA 0.698 5.018 4.320 0.000 0.000 0.253 146 K C -1.175 175.468 176.600 0.071 0.000 0.932 146 K CA -0.518 55.809 56.287 0.066 0.000 0.795 146 K CB 2.437 34.977 32.500 0.066 0.000 1.159 146 K HN 0.912 nan 8.250 nan 0.000 0.424 147 E N 2.542 122.798 120.200 0.093 0.000 2.369 147 E HA 0.370 4.720 4.350 0.000 0.000 0.270 147 E C -2.641 174.064 176.600 0.175 0.000 0.909 147 E CA -2.461 54.010 56.400 0.118 0.000 0.775 147 E CB 1.820 31.586 29.700 0.110 0.000 1.270 147 E HN 0.277 nan 8.360 nan 0.000 0.445 148 P HA -0.039 nan 4.420 nan 0.000 0.266 148 P C 0.421 177.900 177.300 0.299 0.000 1.193 148 P CA 0.287 63.569 63.100 0.303 0.000 0.770 148 P CB 0.963 32.956 31.700 0.489 0.000 0.836 149 I N 0.657 121.317 120.570 0.150 0.000 2.252 149 I HA 0.017 4.187 4.170 0.000 0.000 0.245 149 I C 0.999 177.065 176.117 -0.084 0.000 1.102 149 I CA 2.020 63.354 61.300 0.057 0.000 1.385 149 I CB -0.406 37.588 38.000 -0.009 0.000 1.064 149 I HN 0.724 nan 8.210 nan 0.000 0.414 150 G N -0.894 107.632 108.800 -0.456 0.000 2.325 150 G HA2 -0.031 3.929 3.960 0.000 0.000 0.285 150 G HA3 -0.031 3.929 3.960 0.000 0.000 0.285 150 G C -0.962 173.422 174.900 -0.860 0.000 1.303 150 G CA -0.432 43.933 45.100 -1.226 0.000 0.970 150 G HN 0.003 nan 8.290 nan 0.000 0.490 151 V N 0.186 119.663 119.914 -0.729 0.000 2.557 151 V HA 0.263 4.383 4.120 0.000 0.000 0.301 151 V C 0.994 176.948 176.094 -0.232 0.000 1.026 151 V CA 0.244 62.309 62.300 -0.392 0.000 1.137 151 V CB -0.195 31.480 31.823 -0.247 0.000 0.917 151 V HN 0.864 nan 8.190 nan 0.000 0.484 152 C N 4.360 123.571 119.300 -0.148 0.000 2.401 152 C HA 0.948 5.408 4.460 0.000 0.000 0.356 152 C C 0.575 175.543 174.990 -0.037 0.000 1.192 152 C CA -0.566 58.419 59.018 -0.055 0.000 2.028 152 C CB 1.157 28.936 27.740 0.066 0.000 2.344 152 C HN 1.049 nan 8.230 nan 0.000 0.525 153 A N 0.677 123.491 122.820 -0.010 0.000 2.454 153 A HA 0.947 5.267 4.320 0.000 0.000 0.302 153 A C -0.968 176.641 177.584 0.042 0.000 1.079 153 A CA -0.313 51.726 52.037 0.003 0.000 0.731 153 A CB 1.216 20.208 19.000 -0.013 0.000 1.299 153 A HN 1.543 nan 8.150 nan 0.000 0.413 154 A N 1.155 124.008 122.820 0.054 0.000 2.422 154 A HA 0.765 5.085 4.320 0.000 0.000 0.302 154 A C -1.128 176.518 177.584 0.102 0.000 1.041 154 A CA -0.304 51.784 52.037 0.085 0.000 0.708 154 A CB 0.792 19.840 19.000 0.080 0.000 1.257 154 A HN 0.759 nan 8.150 nan 0.000 0.414 155 I N 2.614 123.283 120.570 0.165 0.000 2.411 155 I HA 0.399 4.569 4.170 0.000 0.000 0.284 155 I C 0.263 176.496 176.117 0.193 0.000 1.012 155 I CA -0.256 61.176 61.300 0.220 0.000 1.119 155 I CB 2.262 40.458 38.000 0.327 0.000 1.261 155 I HN 0.753 nan 8.210 nan 0.000 0.448 156 T N 3.942 118.567 114.554 0.118 0.000 2.918 156 T HA 0.684 5.034 4.350 0.000 0.000 0.286 156 T C -2.618 172.108 174.700 0.044 0.000 1.026 156 T CA -2.037 60.088 62.100 0.043 0.000 1.031 156 T CB 2.142 71.041 68.868 0.052 0.000 1.046 156 T HN 0.193 nan 8.240 nan 0.000 0.479 157 P HA 0.275 nan 4.420 nan 0.000 0.297 157 P C 0.725 178.030 177.300 0.009 0.000 1.307 157 P CA -0.786 62.262 63.100 -0.087 0.000 0.773 157 P CB 0.866 32.389 31.700 -0.295 0.000 1.265 158 W N 0.288 121.637 121.300 0.082 0.000 2.872 158 W HA 0.037 4.697 4.660 -0.000 0.000 0.266 158 W C 1.010 177.564 176.519 0.058 0.000 1.276 158 W CA 0.287 57.674 57.345 0.070 0.000 1.471 158 W CB -1.607 27.886 29.460 0.054 0.000 1.071 158 W HN 0.204 nan 8.180 nan 0.000 0.619 159 N N 1.383 119.893 118.700 -0.317 0.000 2.331 159 N HA -0.161 4.579 4.740 0.000 0.000 0.180 159 N C -0.175 175.179 175.510 -0.259 0.000 1.019 159 N CA 0.762 53.676 53.050 -0.228 0.000 0.881 159 N CB -0.928 37.278 38.487 -0.469 0.000 0.972 159 N HN 0.084 nan 8.380 nan 0.000 0.435 160 F N 0.605 120.538 119.950 -0.028 0.000 2.622 160 F HA 0.390 4.917 4.527 -0.000 0.000 0.338 160 F C -1.885 173.951 175.800 0.059 0.000 1.334 160 F CA -1.992 56.028 58.000 0.034 0.000 1.179 160 F CB 2.005 41.021 39.000 0.026 0.000 1.471 160 F HN -0.125 nan 8.300 nan 0.000 0.576 161 P HA -0.014 nan 4.420 nan 0.000 0.233 161 P C 1.132 178.534 177.300 0.171 0.000 1.167 161 P CA 0.807 64.009 63.100 0.170 0.000 0.770 161 P CB 0.416 32.216 31.700 0.167 0.000 0.837 162 A N 0.354 123.287 122.820 0.189 0.000 1.887 162 A HA 0.331 4.651 4.320 0.000 0.000 0.210 162 A C 2.333 180.021 177.584 0.174 0.000 1.221 162 A CA 1.058 53.202 52.037 0.179 0.000 0.635 162 A CB -1.351 17.750 19.000 0.169 0.000 0.881 162 A HN 0.124 nan 8.150 nan 0.000 0.456 163 A N -0.359 122.605 122.820 0.239 0.000 1.908 163 A HA -0.159 4.161 4.320 0.000 0.000 0.218 163 A C 2.141 179.721 177.584 -0.007 0.000 1.181 163 A CA 2.054 54.192 52.037 0.168 0.000 0.627 163 A CB -0.564 18.645 19.000 0.349 0.000 0.818 163 A HN 0.428 nan 8.150 nan 0.000 0.445 164 M N -0.560 119.066 119.600 0.044 0.000 2.296 164 M HA -0.039 4.441 4.480 0.000 0.000 0.265 164 M C 1.760 178.054 176.300 -0.009 0.000 1.064 164 M CA 0.979 56.259 55.300 -0.032 0.000 1.109 164 M CB -0.954 31.655 32.600 0.016 0.000 1.396 164 M HN 0.303 nan 8.290 nan 0.000 0.430 165 I N 0.104 120.712 120.570 0.063 0.000 2.500 165 I HA -0.093 4.077 4.170 0.000 0.000 0.252 165 I C 2.551 178.747 176.117 0.131 0.000 1.142 165 I CA 0.995 62.365 61.300 0.116 0.000 1.451 165 I CB -1.644 36.464 38.000 0.180 0.000 1.093 165 I HN 0.130 nan 8.210 nan 0.000 0.430 166 A N 0.785 123.644 122.820 0.065 0.000 1.930 166 A HA -0.106 4.214 4.320 0.000 0.000 0.215 166 A C 2.391 179.961 177.584 -0.024 0.000 1.176 166 A CA 0.802 52.862 52.037 0.038 0.000 0.632 166 A CB -0.414 18.587 19.000 0.001 0.000 0.819 166 A HN 0.286 nan 8.150 nan 0.000 0.445 167 R N -0.650 119.708 120.500 -0.236 0.000 2.276 167 R HA 0.049 4.389 4.340 0.000 0.000 0.203 167 R C 1.534 177.702 176.300 -0.220 0.000 1.017 167 R CA 1.103 56.951 56.100 -0.419 0.000 1.010 167 R CB 0.007 29.891 30.300 -0.694 0.000 0.900 167 R HN 0.445 nan 8.270 nan 0.000 0.469 168 K N -0.863 119.464 120.400 -0.122 0.000 2.403 168 K HA 0.119 4.439 4.320 0.000 0.000 0.199 168 K C 1.767 178.298 176.600 -0.114 0.000 1.199 168 K CA 0.169 56.409 56.287 -0.078 0.000 0.924 168 K CB 0.570 33.078 32.500 0.013 0.000 1.137 168 K HN -0.102 nan 8.250 nan 0.000 0.510 169 V N 1.280 121.190 119.914 -0.006 0.000 2.379 169 V HA -0.125 3.995 4.120 0.000 0.000 0.245 169 V C 2.278 178.396 176.094 0.040 0.000 1.044 169 V CA 2.226 64.555 62.300 0.047 0.000 1.036 169 V CB -0.737 31.208 31.823 0.203 0.000 0.664 169 V HN 0.458 nan 8.190 nan 0.000 0.453 170 G N 1.670 110.532 108.800 0.103 0.000 2.628 170 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 170 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 170 G C 0.065 174.860 174.900 -0.174 0.000 1.240 170 G CA 1.430 46.627 45.100 0.162 0.000 0.792 170 G HN 0.555 nan 8.290 nan 0.000 0.593 171 P HA 0.028 nan 4.420 nan 0.000 0.221 171 P C 1.902 178.680 177.300 -0.871 0.000 1.150 171 P CA 1.802 64.163 63.100 -1.231 0.000 0.800 171 P CB -0.067 30.539 31.700 -1.824 0.000 0.787 172 A N 0.440 122.731 122.820 -0.882 0.000 1.825 172 A HA -0.143 4.177 4.320 0.000 0.000 0.214 172 A C 2.252 179.810 177.584 -0.044 0.000 1.206 172 A CA 1.507 53.265 52.037 -0.465 0.000 0.609 172 A CB -1.675 17.179 19.000 -0.243 0.000 0.851 172 A HN 0.068 nan 8.150 nan 0.000 0.445 173 L N -0.080 121.179 121.223 0.059 0.000 2.043 173 L HA -0.224 4.116 4.340 0.000 0.000 0.212 173 L C 3.018 180.174 176.870 0.476 0.000 1.075 173 L CA 2.008 57.073 54.840 0.375 0.000 0.752 173 L CB -0.773 41.453 42.059 0.279 0.000 0.891 173 L HN 0.438 nan 8.230 nan 0.000 0.432 174 A N -0.709 122.248 122.820 0.229 0.000 1.908 174 A HA -0.186 4.134 4.320 0.000 0.000 0.218 174 A C 2.368 180.011 177.584 0.099 0.000 1.181 174 A CA 1.829 53.961 52.037 0.159 0.000 0.627 174 A CB -0.938 18.151 19.000 0.148 0.000 0.818 174 A HN 0.401 nan 8.150 nan 0.000 0.445 175 A N -2.057 120.815 122.820 0.087 0.000 2.209 175 A HA 0.386 4.706 4.320 0.000 0.000 0.212 175 A C 1.730 179.400 177.584 0.143 0.000 1.158 175 A CA 1.348 53.449 52.037 0.106 0.000 0.742 175 A CB -0.880 18.198 19.000 0.130 0.000 0.790 175 A HN 1.982 nan 8.150 nan 0.000 0.472 176 G N -2.599 106.309 108.800 0.181 0.000 2.138 176 G HA2 -0.181 3.779 3.960 0.000 0.000 0.193 176 G HA3 -0.181 3.779 3.960 0.000 0.000 0.193 176 G C -0.071 175.162 174.900 0.555 0.000 0.998 176 G CA -0.152 45.066 45.100 0.195 0.000 0.668 176 G HN 0.583 nan 8.290 nan 0.000 0.516 177 C N 2.177 121.777 119.300 0.500 0.000 2.382 177 C HA 0.788 5.248 4.460 0.000 0.000 0.327 177 C C -1.466 173.606 174.990 0.137 0.000 1.250 177 C CA -1.414 57.753 59.018 0.249 0.000 1.707 177 C CB 1.874 29.680 27.740 0.110 0.000 2.272 177 C HN 0.426 nan 8.230 nan 0.000 0.506 178 P HA 0.569 nan 4.420 nan 0.000 0.278 178 P C -1.043 176.171 177.300 -0.143 0.000 1.258 178 P CA -0.255 62.747 63.100 -0.163 0.000 0.811 178 P CB 1.447 33.064 31.700 -0.138 0.000 1.063 179 I N -0.129 120.355 120.570 -0.144 0.000 2.692 179 I HA 0.276 4.446 4.170 0.000 0.000 0.293 179 I C -1.515 174.550 176.117 -0.087 0.000 1.200 179 I CA -1.145 60.101 61.300 -0.090 0.000 1.036 179 I CB 2.342 40.308 38.000 -0.056 0.000 1.258 179 I HN -0.054 nan 8.210 nan 0.000 0.421 180 V N 7.413 127.292 119.914 -0.060 0.000 2.384 180 V HA 0.446 4.566 4.120 0.000 0.000 0.287 180 V C -0.345 175.740 176.094 -0.015 0.000 1.020 180 V CA -0.549 61.720 62.300 -0.050 0.000 0.850 180 V CB 1.668 33.457 31.823 -0.056 0.000 0.987 180 V HN 0.414 nan 8.190 nan 0.000 0.436 181 V N 4.826 124.739 119.914 -0.002 0.000 2.513 181 V HA 0.514 4.634 4.120 0.000 0.000 0.299 181 V C 0.021 176.138 176.094 0.039 0.000 1.035 181 V CA -0.866 61.452 62.300 0.030 0.000 0.889 181 V CB 1.852 33.701 31.823 0.044 0.000 0.988 181 V HN 0.798 nan 8.190 nan 0.000 0.440 182 K N 6.564 126.998 120.400 0.056 0.000 2.464 182 K HA 0.442 4.762 4.320 0.000 0.000 0.252 182 K C -2.713 173.942 176.600 0.090 0.000 1.000 182 K CA -1.755 54.572 56.287 0.066 0.000 0.951 182 K CB 2.098 34.632 32.500 0.057 0.000 1.183 182 K HN 0.431 nan 8.250 nan 0.000 0.445 183 P HA 0.090 nan 4.420 nan 0.000 0.274 183 P C -0.722 176.652 177.300 0.124 0.000 1.246 183 P CA -0.449 62.716 63.100 0.109 0.000 0.795 183 P CB 0.790 32.552 31.700 0.103 0.000 1.006 184 A N 2.308 125.219 122.820 0.151 0.000 2.522 184 A HA 0.060 4.380 4.320 0.000 0.000 0.256 184 A C 1.492 179.170 177.584 0.157 0.000 1.086 184 A CA -0.292 51.858 52.037 0.187 0.000 0.763 184 A CB -0.301 18.877 19.000 0.297 0.000 1.024 184 A HN 0.613 nan 8.150 nan 0.000 0.502 185 E N 2.589 122.858 120.200 0.115 0.000 2.515 185 E HA -0.103 4.247 4.350 0.000 0.000 0.201 185 E C 1.250 177.936 176.600 0.144 0.000 1.071 185 E CA 1.136 57.608 56.400 0.121 0.000 0.880 185 E CB -0.373 29.276 29.700 -0.085 0.000 0.828 185 E HN 0.488 nan 8.360 nan 0.000 0.540 186 S N 0.599 116.362 115.700 0.104 0.000 2.470 186 S HA -0.015 4.455 4.470 0.000 0.000 0.225 186 S C 0.885 175.535 174.600 0.084 0.000 1.006 186 S CA 1.109 59.350 58.200 0.069 0.000 0.934 186 S CB 0.131 63.306 63.200 -0.042 0.000 0.778 186 S HN 0.522 nan 8.310 nan 0.000 0.517 187 T N -0.420 114.200 114.554 0.111 0.000 3.734 187 T HA 0.366 4.716 4.350 0.000 0.000 0.238 187 T C -2.452 172.277 174.700 0.048 0.000 1.205 187 T CA -0.996 61.165 62.100 0.102 0.000 1.606 187 T CB 1.413 70.390 68.868 0.182 0.000 0.832 187 T HN 0.061 nan 8.240 nan 0.000 0.655 188 P HA 0.187 nan 4.420 nan 0.000 0.239 188 P C 1.000 178.235 177.300 -0.109 0.000 1.188 188 P CA -0.050 62.979 63.100 -0.119 0.000 0.794 188 P CB -0.108 31.472 31.700 -0.201 0.000 0.937 189 F N 1.117 121.083 119.950 0.027 0.000 2.171 189 F HA -0.099 4.428 4.527 0.000 0.000 0.300 189 F C 2.528 178.353 175.800 0.041 0.000 1.090 189 F CA 1.354 59.347 58.000 -0.012 0.000 1.293 189 F CB -1.597 37.368 39.000 -0.059 0.000 1.013 189 F HN -0.097 nan 8.300 nan 0.000 0.486 190 S N -0.040 115.808 115.700 0.247 0.000 2.399 190 S HA -0.155 4.315 4.470 0.000 0.000 0.231 190 S C 2.335 177.051 174.600 0.192 0.000 1.022 190 S CA 1.003 59.322 58.200 0.197 0.000 0.983 190 S CB -0.637 62.667 63.200 0.174 0.000 0.803 190 S HN 0.372 nan 8.310 nan 0.000 0.480 191 A N 1.281 124.205 122.820 0.173 0.000 1.897 191 A HA 0.122 4.442 4.320 0.000 0.000 0.215 191 A C 2.072 179.769 177.584 0.188 0.000 1.181 191 A CA 0.839 52.978 52.037 0.171 0.000 0.620 191 A CB -0.573 18.508 19.000 0.135 0.000 0.821 191 A HN 0.436 nan 8.150 nan 0.000 0.443 192 L N -0.652 120.691 121.223 0.200 0.000 2.093 192 L HA -0.158 4.182 4.340 0.000 0.000 0.208 192 L C 3.081 180.146 176.870 0.326 0.000 1.085 192 L CA 0.953 55.960 54.840 0.279 0.000 0.755 192 L CB -0.573 41.657 42.059 0.286 0.000 0.904 192 L HN 0.421 nan 8.230 nan 0.000 0.435 193 A N -0.066 122.908 122.820 0.257 0.000 1.883 193 A HA -0.238 4.082 4.320 0.000 0.000 0.217 193 A C 2.360 180.136 177.584 0.319 0.000 1.186 193 A CA 1.701 53.900 52.037 0.269 0.000 0.624 193 A CB -0.442 18.680 19.000 0.202 0.000 0.822 193 A HN 0.262 nan 8.150 nan 0.000 0.444 194 M N -0.427 119.358 119.600 0.308 0.000 2.082 194 M HA -0.203 4.277 4.480 0.000 0.000 0.258 194 M C 2.536 179.011 176.300 0.292 0.000 1.069 194 M CA 1.818 57.374 55.300 0.426 0.000 1.102 194 M CB -1.466 31.408 32.600 0.457 0.000 1.336 194 M HN 0.514 nan 8.290 nan 0.000 0.404 195 A N -0.291 122.609 122.820 0.133 0.000 1.933 195 A HA -0.197 4.123 4.320 0.000 0.000 0.218 195 A C 2.045 179.543 177.584 -0.144 0.000 1.175 195 A CA 1.320 53.268 52.037 -0.148 0.000 0.628 195 A CB -0.989 17.867 19.000 -0.240 0.000 0.814 195 A HN 0.434 nan 8.150 nan 0.000 0.444 196 F N 0.862 120.832 119.950 0.034 0.000 2.102 196 F HA -0.122 4.405 4.527 0.000 0.000 0.298 196 F C 1.874 177.689 175.800 0.025 0.000 1.105 196 F CA 1.501 59.577 58.000 0.126 0.000 1.239 196 F CB -0.522 38.526 39.000 0.081 0.000 0.991 196 F HN 0.144 nan 8.300 nan 0.000 0.474 197 L N -0.256 120.939 121.223 -0.047 0.000 2.201 197 L HA -0.141 4.199 4.340 0.000 0.000 0.212 197 L C 2.683 179.467 176.870 -0.143 0.000 1.105 197 L CA 0.992 55.790 54.840 -0.070 0.000 0.775 197 L CB -1.256 40.943 42.059 0.233 0.000 0.913 197 L HN 0.214 nan 8.230 nan 0.000 0.440 198 A N 0.006 122.553 122.820 -0.455 0.000 1.969 198 A HA -0.225 4.095 4.320 0.000 0.000 0.218 198 A C 2.269 179.647 177.584 -0.343 0.000 1.169 198 A CA 1.585 53.164 52.037 -0.763 0.000 0.635 198 A CB -0.360 17.941 19.000 -1.164 0.000 0.810 198 A HN 0.475 nan 8.150 nan 0.000 0.445 199 E N -0.057 120.006 120.200 -0.229 0.000 2.051 199 E HA -0.193 4.157 4.350 0.000 0.000 0.192 199 E C 2.209 178.767 176.600 -0.069 0.000 0.991 199 E CA 1.075 57.435 56.400 -0.067 0.000 0.799 199 E CB -0.126 29.620 29.700 0.076 0.000 0.748 199 E HN 0.563 nan 8.360 nan 0.000 0.449 200 R N -0.127 120.280 120.500 -0.154 0.000 2.120 200 R HA -0.096 4.244 4.340 0.000 0.000 0.234 200 R C 2.327 178.604 176.300 -0.038 0.000 1.123 200 R CA 1.017 57.041 56.100 -0.126 0.000 0.975 200 R CB -0.256 29.914 30.300 -0.217 0.000 0.866 200 R HN 0.199 nan 8.270 nan 0.000 0.446 201 A N 0.000 122.808 122.820 -0.019 0.000 2.014 201 A HA 0.073 4.393 4.320 0.000 0.000 0.218 201 A C 1.421 179.039 177.584 0.056 0.000 1.163 201 A CA 1.333 53.406 52.037 0.059 0.000 0.652 201 A CB -0.088 18.990 19.000 0.130 0.000 0.808 201 A HN 0.477 nan 8.150 nan 0.000 0.449 202 G N -1.701 107.109 108.800 0.017 0.000 2.181 202 G HA2 -0.081 3.879 3.960 0.000 0.000 0.152 202 G HA3 -0.081 3.879 3.960 0.000 0.000 0.152 202 G C -0.094 174.834 174.900 0.046 0.000 1.026 202 G CA -0.178 44.948 45.100 0.043 0.000 0.699 202 G HN 0.745 nan 8.290 nan 0.000 0.497 203 V N 2.746 122.636 119.914 -0.039 0.000 2.446 203 V HA 0.299 4.419 4.120 0.000 0.000 0.276 203 V C -0.887 175.140 176.094 -0.112 0.000 1.030 203 V CA -0.873 61.343 62.300 -0.140 0.000 1.033 203 V CB 0.730 32.368 31.823 -0.307 0.000 0.993 203 V HN 0.359 nan 8.190 nan 0.000 0.477 204 P HA 0.175 nan 4.420 nan 0.000 0.267 204 P C 0.017 177.261 177.300 -0.092 0.000 1.205 204 P CA -0.122 62.961 63.100 -0.027 0.000 0.765 204 P CB 0.236 31.973 31.700 0.062 0.000 0.828 205 K N 2.031 122.393 120.400 -0.063 0.000 2.477 205 K HA 0.242 4.562 4.320 0.000 0.000 0.275 205 K C 1.416 177.926 176.600 -0.150 0.000 1.054 205 K CA 0.567 56.781 56.287 -0.122 0.000 1.135 205 K CB -1.528 30.916 32.500 -0.094 0.000 0.854 205 K HN 0.927 nan 8.250 nan 0.000 0.484 206 G N 0.297 108.962 108.800 -0.226 0.000 2.284 206 G HA2 -0.270 3.690 3.960 0.000 0.000 0.216 206 G HA3 -0.270 3.690 3.960 0.000 0.000 0.216 206 G C 1.429 176.209 174.900 -0.201 0.000 1.009 206 G CA 0.530 45.514 45.100 -0.193 0.000 0.625 206 G HN 1.140 nan 8.290 nan 0.000 0.501 207 V N 0.443 120.203 119.914 -0.257 0.000 2.427 207 V HA 0.246 4.366 4.120 0.000 0.000 0.248 207 V C 1.239 177.127 176.094 -0.344 0.000 1.051 207 V CA 2.014 64.079 62.300 -0.390 0.000 1.048 207 V CB -0.133 31.237 31.823 -0.754 0.000 0.666 207 V HN 0.532 nan 8.190 nan 0.000 0.456 208 L N -0.530 120.528 121.223 -0.275 0.000 2.346 208 L HA 0.667 5.007 4.340 0.000 0.000 0.276 208 L C -0.558 176.230 176.870 -0.137 0.000 1.006 208 L CA 0.211 54.942 54.840 -0.182 0.000 0.817 208 L CB 2.052 44.008 42.059 -0.172 0.000 1.272 208 L HN -0.017 nan 8.230 nan 0.000 0.421 209 S N 3.284 118.921 115.700 -0.105 0.000 2.619 209 S HA 0.675 5.145 4.470 0.000 0.000 0.280 209 S C -1.255 173.326 174.600 -0.032 0.000 1.150 209 S CA -0.535 57.596 58.200 -0.114 0.000 0.978 209 S CB 1.901 65.004 63.200 -0.163 0.000 1.041 209 S HN 0.377 nan 8.310 nan 0.000 0.485 210 V N 3.961 123.880 119.914 0.007 0.000 2.313 210 V HA 0.409 4.529 4.120 0.000 0.000 0.278 210 V C -0.360 175.745 176.094 0.019 0.000 1.017 210 V CA -0.591 61.726 62.300 0.028 0.000 0.823 210 V CB 1.349 33.206 31.823 0.057 0.000 1.010 210 V HN 0.701 nan 8.190 nan 0.000 0.443 211 V N 6.909 126.834 119.914 0.019 0.000 2.439 211 V HA 0.544 4.664 4.120 0.000 0.000 0.282 211 V C -0.068 176.060 176.094 0.056 0.000 1.039 211 V CA -0.357 61.957 62.300 0.023 0.000 0.913 211 V CB 1.597 33.425 31.823 0.008 0.000 0.983 211 V HN 0.659 nan 8.190 nan 0.000 0.460 212 I N 3.438 124.053 120.570 0.076 0.000 2.608 212 I HA 0.890 5.060 4.170 0.000 0.000 0.295 212 I C 0.649 176.870 176.117 0.175 0.000 1.049 212 I CA -0.021 61.356 61.300 0.128 0.000 1.063 212 I CB 2.092 40.163 38.000 0.120 0.000 1.248 212 I HN 0.871 nan 8.210 nan 0.000 0.424 213 G N 4.275 113.207 108.800 0.219 0.000 2.480 213 G HA2 -0.077 3.883 3.960 0.000 0.000 0.109 213 G HA3 -0.077 3.883 3.960 0.000 0.000 0.109 213 G C -1.468 173.432 174.900 0.001 0.000 1.172 213 G CA -0.674 44.543 45.100 0.195 0.000 1.091 213 G HN 0.529 nan 8.290 nan 0.000 0.464 214 D N 2.301 122.693 120.400 -0.012 0.000 2.363 214 D HA 0.273 4.913 4.640 0.000 0.000 0.263 214 D C -0.848 175.426 176.300 -0.044 0.000 1.258 214 D CA -1.143 52.824 54.000 -0.056 0.000 0.907 214 D CB 1.663 42.445 40.800 -0.030 0.000 1.107 214 D HN -0.061 nan 8.370 nan 0.000 0.495 215 P HA -0.185 nan 4.420 nan 0.000 0.215 215 P C 1.187 178.467 177.300 -0.035 0.000 1.157 215 P CA 2.012 65.092 63.100 -0.035 0.000 0.874 215 P CB 0.140 31.818 31.700 -0.036 0.000 0.790 216 K N -0.223 120.152 120.400 -0.042 0.000 2.103 216 K HA 0.129 4.449 4.320 0.000 0.000 0.204 216 K C 2.254 178.832 176.600 -0.037 0.000 1.052 216 K CA 1.596 57.858 56.287 -0.043 0.000 0.945 216 K CB -1.544 30.931 32.500 -0.040 0.000 0.722 216 K HN 0.210 nan 8.250 nan 0.000 0.443 217 A N 0.867 123.670 122.820 -0.029 0.000 1.897 217 A HA 0.120 4.440 4.320 0.000 0.000 0.215 217 A C 2.424 179.996 177.584 -0.020 0.000 1.181 217 A CA 1.346 53.370 52.037 -0.022 0.000 0.620 217 A CB -0.243 18.748 19.000 -0.014 0.000 0.821 217 A HN 0.447 nan 8.150 nan 0.000 0.443 218 I N -0.064 120.497 120.570 -0.016 0.000 2.226 218 I HA -0.174 3.996 4.170 0.000 0.000 0.245 218 I C 2.709 178.812 176.117 -0.023 0.000 1.100 218 I CA 1.109 62.402 61.300 -0.012 0.000 1.374 218 I CB -0.685 37.316 38.000 0.002 0.000 1.057 218 I HN 0.370 nan 8.210 nan 0.000 0.413 219 G N 0.453 109.234 108.800 -0.032 0.000 2.459 219 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 219 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 219 G C 1.662 176.528 174.900 -0.057 0.000 1.183 219 G CA 1.544 46.612 45.100 -0.054 0.000 0.776 219 G HN 0.310 nan 8.290 nan 0.000 0.552 220 T N 0.464 114.989 114.554 -0.050 0.000 2.915 220 T HA -0.029 4.321 4.350 0.000 0.000 0.269 220 T C 2.163 176.840 174.700 -0.037 0.000 1.071 220 T CA 1.552 63.625 62.100 -0.045 0.000 1.132 220 T CB -0.004 68.841 68.868 -0.039 0.000 0.878 220 T HN 0.424 nan 8.240 nan 0.000 0.479 221 E N 1.300 121.481 120.200 -0.032 0.000 2.076 221 E HA 0.041 4.391 4.350 0.000 0.000 0.190 221 E C 1.974 178.555 176.600 -0.031 0.000 0.979 221 E CA 0.771 57.155 56.400 -0.028 0.000 0.807 221 E CB -0.552 29.134 29.700 -0.023 0.000 0.761 221 E HN 0.475 nan 8.360 nan 0.000 0.454 222 I N 0.900 121.450 120.570 -0.033 0.000 2.151 222 I HA -0.332 3.838 4.170 0.000 0.000 0.243 222 I C 2.379 178.472 176.117 -0.041 0.000 1.080 222 I CA 2.044 63.323 61.300 -0.036 0.000 1.339 222 I CB -0.556 37.424 38.000 -0.033 0.000 1.039 222 I HN 0.339 nan 8.210 nan 0.000 0.409 223 T N -2.648 111.878 114.554 -0.047 0.000 2.985 223 T HA -0.068 4.282 4.350 0.000 0.000 0.266 223 T C 1.834 176.510 174.700 -0.040 0.000 1.076 223 T CA 1.022 63.093 62.100 -0.049 0.000 1.135 223 T CB -0.390 68.441 68.868 -0.061 0.000 0.890 223 T HN 0.446 nan 8.240 nan 0.000 0.480 224 S N 0.885 116.564 115.700 -0.035 0.000 2.458 224 S HA 0.099 4.569 4.470 0.000 0.000 0.223 224 S C 1.008 175.592 174.600 -0.025 0.000 1.019 224 S CA -0.366 57.817 58.200 -0.029 0.000 0.937 224 S CB -0.659 62.526 63.200 -0.026 0.000 0.788 224 S HN 0.443 nan 8.310 nan 0.000 0.511 225 N N 3.659 122.342 118.700 -0.027 0.000 2.452 225 N HA 0.188 4.928 4.740 0.000 0.000 0.266 225 N C -1.867 173.627 175.510 -0.026 0.000 1.175 225 N CA -1.448 51.587 53.050 -0.025 0.000 0.945 225 N CB 1.471 39.941 38.487 -0.028 0.000 1.063 225 N HN 0.161 nan 8.380 nan 0.000 0.472 226 P HA -0.006 nan 4.420 nan 0.000 0.237 226 P C 1.292 178.581 177.300 -0.019 0.000 1.178 226 P CA 0.672 63.763 63.100 -0.016 0.000 0.766 226 P CB 0.442 32.137 31.700 -0.007 0.000 0.876 227 I N -0.782 119.774 120.570 -0.023 0.000 2.406 227 I HA -0.065 4.105 4.170 0.000 0.000 0.249 227 I C 0.884 176.961 176.117 -0.066 0.000 1.122 227 I CA 0.436 61.717 61.300 -0.031 0.000 1.431 227 I CB -0.253 37.734 38.000 -0.022 0.000 1.087 227 I HN -0.299 nan 8.210 nan 0.000 0.424 228 V N 3.076 122.952 119.914 -0.063 0.000 2.400 228 V HA -0.037 4.083 4.120 0.000 0.000 0.263 228 V C 1.343 177.392 176.094 -0.074 0.000 1.026 228 V CA 0.721 62.975 62.300 -0.076 0.000 1.077 228 V CB -0.066 31.721 31.823 -0.058 0.000 1.054 228 V HN 0.319 nan 8.190 nan 0.000 0.477 229 R N 3.089 123.529 120.500 -0.100 0.000 2.254 229 R HA 0.131 4.471 4.340 0.000 0.000 0.195 229 R C 0.517 176.768 176.300 -0.082 0.000 0.957 229 R CA 0.330 56.380 56.100 -0.084 0.000 1.024 229 R CB 0.335 30.577 30.300 -0.097 0.000 0.952 229 R HN 0.758 nan 8.270 nan 0.000 0.484 230 K N 0.046 120.389 120.400 -0.095 0.000 2.523 230 K HA 0.384 4.704 4.320 0.000 0.000 0.257 230 K C -1.745 174.806 176.600 -0.081 0.000 0.932 230 K CA -0.955 55.271 56.287 -0.101 0.000 0.812 230 K CB 1.883 34.293 32.500 -0.150 0.000 1.326 230 K HN -0.106 nan 8.250 nan 0.000 0.433 231 L N 1.038 122.219 121.223 -0.069 0.000 2.381 231 L HA 0.665 5.005 4.340 0.000 0.000 0.268 231 L C -1.430 175.432 176.870 -0.014 0.000 0.997 231 L CA -0.077 54.747 54.840 -0.028 0.000 0.818 231 L CB 2.542 44.591 42.059 -0.017 0.000 1.310 231 L HN 0.792 nan 8.230 nan 0.000 0.416 232 S N 3.617 119.341 115.700 0.040 0.000 2.552 232 S HA 0.693 5.163 4.470 0.000 0.000 0.314 232 S C -1.447 173.254 174.600 0.168 0.000 1.099 232 S CA -0.379 57.861 58.200 0.068 0.000 1.070 232 S CB 0.428 63.671 63.200 0.070 0.000 0.998 232 S HN 0.504 nan 8.310 nan 0.000 0.474 233 F N 3.696 123.642 119.950 -0.006 0.000 2.520 233 F HA 0.675 5.202 4.527 0.000 0.000 0.322 233 F C -0.491 175.315 175.800 0.010 0.000 1.103 233 F CA -0.397 57.604 58.000 0.001 0.000 0.926 233 F CB 2.101 41.099 39.000 -0.004 0.000 1.154 233 F HN 0.428 nan 8.300 nan 0.000 0.453 234 T N 4.583 118.628 114.554 -0.848 0.000 2.906 234 T HA 0.763 5.113 4.350 0.000 0.000 0.302 234 T C -0.136 173.941 174.700 -1.039 0.000 1.002 234 T CA -0.346 61.318 62.100 -0.726 0.000 0.988 234 T CB 0.970 69.655 68.868 -0.304 0.000 0.972 234 T HN 1.081 nan 8.240 nan 0.000 0.447 235 G N 1.899 110.141 108.800 -0.929 0.000 2.392 235 G HA2 0.485 4.445 3.960 0.000 0.000 0.260 235 G HA3 0.485 4.445 3.960 0.000 0.000 0.260 235 G C -0.666 174.109 174.900 -0.207 0.000 1.226 235 G CA -0.299 44.474 45.100 -0.545 0.000 0.913 235 G HN 0.891 nan 8.290 nan 0.000 0.483 236 S N -0.455 115.250 115.700 0.007 0.000 2.585 236 S HA 0.440 4.911 4.470 0.000 0.000 0.273 236 S C 1.375 176.055 174.600 0.134 0.000 1.339 236 S CA 1.026 59.235 58.200 0.016 0.000 1.028 236 S CB 1.302 64.504 63.200 0.002 0.000 0.906 236 S HN 0.826 nan 8.310 nan 0.000 0.528 237 T N 2.742 117.347 114.554 0.085 0.000 2.746 237 T HA -0.105 4.245 4.350 0.000 0.000 0.267 237 T C 2.239 177.026 174.700 0.144 0.000 1.039 237 T CA 1.553 63.745 62.100 0.153 0.000 1.142 237 T CB -1.022 67.993 68.868 0.244 0.000 0.866 237 T HN 0.869 nan 8.240 nan 0.000 0.444 238 A N 1.256 124.145 122.820 0.115 0.000 1.870 238 A HA -0.179 4.141 4.320 0.000 0.000 0.219 238 A C 2.598 180.217 177.584 0.059 0.000 1.224 238 A CA 2.282 54.366 52.037 0.079 0.000 0.650 238 A CB -1.287 17.748 19.000 0.059 0.000 0.836 238 A HN 0.374 nan 8.150 nan 0.000 0.454 239 V N -0.275 119.687 119.914 0.079 0.000 2.548 239 V HA -0.093 4.027 4.120 0.000 0.000 0.249 239 V C 2.779 178.813 176.094 -0.101 0.000 1.055 239 V CA 1.658 63.947 62.300 -0.018 0.000 1.065 239 V CB -1.446 30.373 31.823 -0.006 0.000 0.681 239 V HN 0.681 nan 8.190 nan 0.000 0.462 240 G N 0.261 109.151 108.800 0.150 0.000 2.440 240 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 240 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 240 G C 1.759 176.683 174.900 0.040 0.000 1.154 240 G CA 0.864 46.068 45.100 0.174 0.000 0.767 240 G HN 0.436 nan 8.290 nan 0.000 0.552 241 R N -0.265 120.260 120.500 0.042 0.000 2.081 241 R HA 0.078 4.418 4.340 0.000 0.000 0.235 241 R C 2.655 178.942 176.300 -0.022 0.000 1.131 241 R CA 0.926 57.035 56.100 0.015 0.000 0.960 241 R CB -0.453 29.863 30.300 0.026 0.000 0.856 241 R HN 0.334 nan 8.270 nan 0.000 0.436 242 L N 0.444 121.640 121.223 -0.045 0.000 1.994 242 L HA -0.212 4.128 4.340 0.000 0.000 0.208 242 L C 2.354 179.168 176.870 -0.094 0.000 1.071 242 L CA 1.362 56.161 54.840 -0.068 0.000 0.745 242 L CB -0.502 41.508 42.059 -0.080 0.000 0.892 242 L HN 0.187 nan 8.230 nan 0.000 0.431 243 L N -1.029 120.103 121.223 -0.153 0.000 2.079 243 L HA -0.265 4.076 4.340 0.000 0.000 0.210 243 L C 2.660 179.472 176.870 -0.096 0.000 1.081 243 L CA 1.284 56.021 54.840 -0.172 0.000 0.752 243 L CB -0.384 41.485 42.059 -0.317 0.000 0.896 243 L HN 0.365 nan 8.230 nan 0.000 0.433 244 M N -0.364 119.199 119.600 -0.062 0.000 2.117 244 M HA -0.226 4.254 4.480 0.000 0.000 0.262 244 M C 2.355 178.634 176.300 -0.035 0.000 1.065 244 M CA 2.052 57.331 55.300 -0.034 0.000 1.114 244 M CB -0.081 32.511 32.600 -0.014 0.000 1.361 244 M HN 0.266 nan 8.290 nan 0.000 0.408 245 A N -0.019 122.779 122.820 -0.037 0.000 1.858 245 A HA -0.230 4.090 4.320 0.000 0.000 0.216 245 A C 1.900 179.462 177.584 -0.037 0.000 1.190 245 A CA 1.872 53.890 52.037 -0.033 0.000 0.617 245 A CB -0.936 18.045 19.000 -0.031 0.000 0.827 245 A HN 0.690 nan 8.150 nan 0.000 0.443 246 Q N -0.083 119.688 119.800 -0.048 0.000 2.234 246 Q HA -0.114 4.226 4.340 0.000 0.000 0.206 246 Q C 1.964 177.938 176.000 -0.045 0.000 0.980 246 Q CA 1.647 57.420 55.803 -0.049 0.000 0.869 246 Q CB -0.160 28.540 28.738 -0.064 0.000 0.912 246 Q HN 0.620 nan 8.270 nan 0.000 0.436 247 S N -0.139 115.534 115.700 -0.046 0.000 2.558 247 S HA 0.133 4.603 4.470 0.000 0.000 0.217 247 S C 1.726 176.307 174.600 -0.031 0.000 0.975 247 S CA 0.348 58.524 58.200 -0.040 0.000 0.912 247 S CB 0.258 63.432 63.200 -0.043 0.000 0.776 247 S HN 0.432 nan 8.310 nan 0.000 0.526 248 A N 2.849 125.652 122.820 -0.028 0.000 1.933 248 A HA 0.015 4.335 4.320 0.000 0.000 0.218 248 A C -0.223 177.350 177.584 -0.019 0.000 1.175 248 A CA 1.155 53.179 52.037 -0.022 0.000 0.628 248 A CB -1.724 17.264 19.000 -0.020 0.000 0.814 248 A HN 0.365 nan 8.150 nan 0.000 0.444 249 P HA -0.069 nan 4.420 nan 0.000 0.225 249 P C 1.055 178.346 177.300 -0.015 0.000 1.148 249 P CA 1.818 64.908 63.100 -0.016 0.000 0.779 249 P CB -0.081 31.608 31.700 -0.017 0.000 0.780 250 T N -6.230 108.314 114.554 -0.018 0.000 3.040 250 T HA 0.177 4.527 4.350 0.000 0.000 0.266 250 T C 0.510 175.200 174.700 -0.016 0.000 1.005 250 T CA -0.267 61.823 62.100 -0.016 0.000 0.906 250 T CB -0.661 68.195 68.868 -0.019 0.000 1.082 250 T HN -0.181 nan 8.240 nan 0.000 0.531 251 V N 1.588 121.492 119.914 -0.017 0.000 5.820 251 V HA -0.230 3.890 4.120 0.000 0.000 0.300 251 V C 0.405 176.486 176.094 -0.021 0.000 0.585 251 V CA 0.693 62.983 62.300 -0.017 0.000 0.629 251 V CB -2.207 29.610 31.823 -0.010 0.000 0.291 251 V HN 0.672 nan 8.190 nan 0.000 0.887 252 K N 0.301 120.684 120.400 -0.028 0.000 2.276 252 K HA 0.364 4.684 4.320 0.000 0.000 0.259 252 K C 0.335 176.911 176.600 -0.041 0.000 1.001 252 K CA -0.665 55.600 56.287 -0.038 0.000 0.927 252 K CB 0.620 33.094 32.500 -0.042 0.000 0.969 252 K HN 0.275 nan 8.250 nan 0.000 0.490 253 K N 1.976 122.342 120.400 -0.056 0.000 2.276 253 K HA 0.185 4.505 4.320 0.000 0.000 0.283 253 K C -1.257 175.295 176.600 -0.080 0.000 1.044 253 K CA -0.137 56.109 56.287 -0.069 0.000 0.944 253 K CB 0.347 32.792 32.500 -0.091 0.000 1.012 253 K HN 0.276 nan 8.250 nan 0.000 0.472 254 L N 3.496 124.679 121.223 -0.066 0.000 2.381 254 L HA 0.398 4.738 4.340 0.000 0.000 0.274 254 L C -0.703 176.136 176.870 -0.052 0.000 0.988 254 L CA -0.126 54.685 54.840 -0.049 0.000 0.824 254 L CB 2.195 44.243 42.059 -0.018 0.000 1.263 254 L HN 0.658 nan 8.230 nan 0.000 0.410 255 T N 4.980 119.501 114.554 -0.054 0.000 2.749 255 T HA 0.647 4.997 4.350 0.000 0.000 0.287 255 T C -0.297 174.424 174.700 0.035 0.000 0.970 255 T CA -0.234 61.849 62.100 -0.028 0.000 0.980 255 T CB 0.407 69.242 68.868 -0.055 0.000 0.924 255 T HN 0.259 nan 8.240 nan 0.000 0.456 256 L N 3.813 125.061 121.223 0.042 0.000 2.342 256 L HA 0.419 4.759 4.340 0.000 0.000 0.276 256 L C 0.073 176.959 176.870 0.027 0.000 0.997 256 L CA -0.703 54.183 54.840 0.077 0.000 0.838 256 L CB 1.456 43.577 42.059 0.102 0.000 1.224 256 L HN 0.500 nan 8.230 nan 0.000 0.416 257 E N 5.885 126.071 120.200 -0.024 0.000 2.063 257 E HA 0.442 4.792 4.350 0.000 0.000 0.265 257 E C -0.513 176.035 176.600 -0.087 0.000 0.919 257 E CA -0.236 56.145 56.400 -0.032 0.000 0.756 257 E CB 2.019 31.724 29.700 0.007 0.000 1.120 257 E HN 0.507 nan 8.360 nan 0.000 0.414 258 L N 0.263 121.467 121.223 -0.032 0.000 2.693 258 L HA 0.570 4.910 4.340 0.000 0.000 0.253 258 L C 1.147 177.989 176.870 -0.047 0.000 1.155 258 L CA -1.225 53.600 54.840 -0.025 0.000 1.026 258 L CB 0.316 42.409 42.059 0.058 0.000 1.817 258 L HN 0.407 nan 8.230 nan 0.000 0.556 259 G N -1.253 107.488 108.800 -0.099 0.000 2.569 259 G HA2 0.472 4.432 3.960 0.000 0.000 0.249 259 G HA3 0.472 4.432 3.960 0.000 0.000 0.249 259 G C -0.289 174.418 174.900 -0.321 0.000 1.216 259 G CA 0.250 45.203 45.100 -0.245 0.000 0.845 259 G HN 0.729 nan 8.290 nan 0.000 0.568 260 G N -0.957 107.682 108.800 -0.268 0.000 3.175 260 G HA2 0.465 4.425 3.960 0.000 0.000 0.255 260 G HA3 0.465 4.425 3.960 0.000 0.000 0.255 260 G C -0.617 174.231 174.900 -0.087 0.000 1.352 260 G CA -0.564 44.477 45.100 -0.099 0.000 1.037 260 G HN 0.680 nan 8.290 nan 0.000 0.556 261 N N -0.891 117.915 118.700 0.177 0.000 2.635 261 N HA 0.316 5.056 4.740 0.000 0.000 0.252 261 N C -0.070 175.562 175.510 0.203 0.000 1.589 261 N CA -0.134 53.047 53.050 0.219 0.000 0.828 261 N CB 0.535 39.255 38.487 0.389 0.000 1.403 261 N HN 0.723 nan 8.380 nan 0.000 0.518 262 A N 2.033 124.918 122.820 0.108 0.000 2.537 262 A HA 0.305 4.625 4.320 0.000 0.000 0.260 262 A C -2.171 175.411 177.584 -0.004 0.000 1.082 262 A CA -0.306 51.739 52.037 0.013 0.000 0.765 262 A CB -0.310 18.730 19.000 0.066 0.000 1.019 262 A HN 0.334 nan 8.150 nan 0.000 0.507 263 P HA 0.326 nan 4.420 nan 0.000 0.285 263 P C -0.952 176.396 177.300 0.081 0.000 1.259 263 P CA -0.182 62.949 63.100 0.051 0.000 0.794 263 P CB 0.686 32.413 31.700 0.044 0.000 0.940 264 F N 3.954 123.882 119.950 -0.036 0.000 2.361 264 F HA 0.467 4.994 4.527 -0.000 0.000 0.364 264 F C -0.263 175.643 175.800 0.178 0.000 1.117 264 F CA -0.814 57.213 58.000 0.045 0.000 1.071 264 F CB 0.467 39.283 39.000 -0.306 0.000 1.188 264 F HN 0.116 nan 8.300 nan 0.000 0.464 265 I N 7.027 127.658 120.570 0.101 0.000 2.312 265 I HA 0.287 4.458 4.170 0.000 0.000 0.290 265 I C -0.886 175.378 176.117 0.244 0.000 1.008 265 I CA -0.748 60.654 61.300 0.169 0.000 1.226 265 I CB 1.324 39.349 38.000 0.042 0.000 1.371 265 I HN 0.187 nan 8.210 nan 0.000 0.468 266 V N 7.269 127.339 119.914 0.260 0.000 2.328 266 V HA 0.346 4.467 4.120 0.000 0.000 0.278 266 V C -0.058 176.181 176.094 0.240 0.000 1.021 266 V CA -0.475 61.947 62.300 0.202 0.000 0.838 266 V CB 0.872 32.599 31.823 -0.161 0.000 0.999 266 V HN 0.385 nan 8.190 nan 0.000 0.447 267 F N 2.104 122.232 119.950 0.297 0.000 2.370 267 F HA 0.255 4.782 4.527 -0.000 0.000 0.319 267 F C 1.663 177.552 175.800 0.148 0.000 1.129 267 F CA 0.048 58.240 58.000 0.320 0.000 1.109 267 F CB 0.840 40.006 39.000 0.276 0.000 1.262 267 F HN 0.583 nan 8.300 nan 0.000 0.534 268 D N 0.765 121.326 120.400 0.268 0.000 2.192 268 D HA -0.277 4.363 4.640 0.000 0.000 0.189 268 D C 1.233 177.559 176.300 0.043 0.000 1.007 268 D CA 2.215 56.161 54.000 -0.089 0.000 0.859 268 D CB -0.164 40.493 40.800 -0.238 0.000 0.936 268 D HN 0.570 nan 8.370 nan 0.000 0.447 269 D N -0.874 119.605 120.400 0.132 0.000 2.427 269 D HA 0.236 4.876 4.640 0.000 0.000 0.224 269 D C -0.062 176.320 176.300 0.136 0.000 1.157 269 D CA -0.246 53.814 54.000 0.100 0.000 0.828 269 D CB -0.448 40.394 40.800 0.070 0.000 0.974 269 D HN 0.218 nan 8.370 nan 0.000 0.498 270 A N 0.344 123.277 122.820 0.189 0.000 2.366 270 A HA 0.200 4.520 4.320 0.000 0.000 0.249 270 A C 0.312 178.006 177.584 0.183 0.000 1.084 270 A CA -0.444 51.728 52.037 0.225 0.000 0.794 270 A CB 0.324 19.501 19.000 0.296 0.000 1.034 270 A HN 0.180 nan 8.150 nan 0.000 0.491 271 D N 2.163 122.687 120.400 0.206 0.000 2.367 271 D HA 0.047 4.687 4.640 0.000 0.000 0.255 271 D C 1.007 177.408 176.300 0.169 0.000 1.300 271 D CA -0.335 53.768 54.000 0.172 0.000 0.959 271 D CB 0.291 41.199 40.800 0.179 0.000 1.064 271 D HN 0.291 nan 8.370 nan 0.000 0.509 272 L N 3.634 124.942 121.223 0.142 0.000 2.079 272 L HA -0.172 4.168 4.340 0.000 0.000 0.210 272 L C 1.739 178.681 176.870 0.121 0.000 1.081 272 L CA 1.490 56.426 54.840 0.160 0.000 0.752 272 L CB -0.672 41.473 42.059 0.143 0.000 0.896 272 L HN 0.493 nan 8.230 nan 0.000 0.433 273 D N -0.702 119.747 120.400 0.081 0.000 2.224 273 D HA -0.080 4.560 4.640 0.000 0.000 0.205 273 D C 2.068 178.403 176.300 0.058 0.000 0.965 273 D CA 1.258 55.285 54.000 0.046 0.000 0.852 273 D CB 0.439 41.262 40.800 0.038 0.000 0.947 273 D HN 0.312 nan 8.370 nan 0.000 0.494 274 A N 1.091 123.973 122.820 0.104 0.000 1.975 274 A HA 0.153 4.473 4.320 0.000 0.000 0.215 274 A C 2.302 179.914 177.584 0.047 0.000 1.170 274 A CA 1.278 53.408 52.037 0.155 0.000 0.656 274 A CB -0.278 18.888 19.000 0.277 0.000 0.821 274 A HN 0.194 nan 8.150 nan 0.000 0.449 275 A N -0.409 122.321 122.820 -0.151 0.000 1.933 275 A HA 0.017 4.337 4.320 0.000 0.000 0.218 275 A C 2.165 179.764 177.584 0.024 0.000 1.175 275 A CA 1.749 53.503 52.037 -0.471 0.000 0.628 275 A CB -0.723 18.146 19.000 -0.219 0.000 0.814 275 A HN 0.331 nan 8.150 nan 0.000 0.444 276 V N -0.066 119.881 119.914 0.056 0.000 2.379 276 V HA -0.160 3.960 4.120 0.000 0.000 0.245 276 V C 3.105 179.166 176.094 -0.054 0.000 1.044 276 V CA 2.426 64.674 62.300 -0.086 0.000 1.036 276 V CB -1.166 30.522 31.823 -0.226 0.000 0.664 276 V HN 0.777 nan 8.190 nan 0.000 0.453 277 E N 0.543 120.744 120.200 0.003 0.000 2.085 277 E HA -0.223 4.127 4.350 0.000 0.000 0.194 277 E C 2.310 178.962 176.600 0.087 0.000 0.994 277 E CA 1.717 58.142 56.400 0.041 0.000 0.801 277 E CB -1.415 28.327 29.700 0.070 0.000 0.743 277 E HN 0.660 nan 8.360 nan 0.000 0.453 278 G N 0.351 109.245 108.800 0.157 0.000 2.418 278 G HA2 0.022 3.982 3.960 0.000 0.000 0.217 278 G HA3 0.022 3.982 3.960 0.000 0.000 0.217 278 G C 2.045 177.038 174.900 0.154 0.000 1.158 278 G CA 1.994 47.285 45.100 0.318 0.000 0.771 278 G HN 0.917 nan 8.290 nan 0.000 0.545 279 A N 1.136 123.890 122.820 -0.109 0.000 1.883 279 A HA -0.014 4.306 4.320 0.000 0.000 0.217 279 A C 2.357 179.936 177.584 -0.008 0.000 1.186 279 A CA 1.514 53.380 52.037 -0.285 0.000 0.624 279 A CB -0.330 18.534 19.000 -0.227 0.000 0.822 279 A HN 0.270 nan 8.150 nan 0.000 0.444 280 I N 0.043 120.639 120.570 0.044 0.000 2.127 280 I HA -0.277 3.893 4.170 0.000 0.000 0.241 280 I C 2.930 179.126 176.117 0.131 0.000 1.075 280 I CA 1.723 63.110 61.300 0.145 0.000 1.334 280 I CB -1.710 36.317 38.000 0.046 0.000 1.040 280 I HN 0.374 nan 8.210 nan 0.000 0.405 281 A N 0.774 123.635 122.820 0.068 0.000 1.898 281 A HA -0.157 4.163 4.320 0.000 0.000 0.216 281 A C 2.500 180.087 177.584 0.006 0.000 1.181 281 A CA 2.076 54.143 52.037 0.050 0.000 0.620 281 A CB -0.725 18.309 19.000 0.057 0.000 0.819 281 A HN 0.555 nan 8.150 nan 0.000 0.442 282 S N -1.133 114.535 115.700 -0.052 0.000 2.470 282 S HA -0.018 4.453 4.470 0.000 0.000 0.225 282 S C 1.757 176.253 174.600 -0.173 0.000 1.006 282 S CA 1.414 59.511 58.200 -0.171 0.000 0.934 282 S CB 0.001 62.943 63.200 -0.431 0.000 0.778 282 S HN 0.383 nan 8.310 nan 0.000 0.517 283 K N 0.349 120.655 120.400 -0.157 0.000 2.214 283 K HA 0.299 4.619 4.320 0.000 0.000 0.201 283 K C 0.863 177.221 176.600 -0.404 0.000 1.049 283 K CA 0.807 56.907 56.287 -0.312 0.000 0.978 283 K CB -0.337 31.956 32.500 -0.344 0.000 0.842 283 K HN 0.476 nan 8.250 nan 0.000 0.474 284 Y N 0.685 120.981 120.300 -0.007 0.000 2.467 284 Y HA 0.268 4.818 4.550 0.000 0.000 0.250 284 Y C 0.049 175.947 175.900 -0.004 0.000 1.155 284 Y CA -0.484 57.616 58.100 -0.001 0.000 1.249 284 Y CB 0.193 38.654 38.460 0.001 0.000 1.146 284 Y HN -0.075 nan 8.280 nan 0.000 0.524 285 R N 0.939 121.495 120.500 0.093 0.000 2.543 285 R HA 0.063 4.403 4.340 0.000 0.000 0.277 285 R C 0.380 176.697 176.300 0.028 0.000 1.074 285 R CA -0.017 56.120 56.100 0.061 0.000 1.076 285 R CB 0.076 30.407 30.300 0.051 0.000 0.993 285 R HN 0.151 nan 8.270 nan 0.000 0.459 286 N N 1.887 120.592 118.700 0.008 0.000 2.708 286 N HA -0.295 4.445 4.740 0.000 0.000 0.251 286 N C -0.806 174.705 175.510 0.003 0.000 1.017 286 N CA 1.348 54.377 53.050 -0.034 0.000 0.742 286 N CB -1.192 37.219 38.487 -0.127 0.000 0.943 286 N HN 0.945 nan 8.380 nan 0.000 0.539 287 N N -0.841 117.884 118.700 0.042 0.000 2.696 287 N HA -0.203 4.537 4.740 0.000 0.000 0.249 287 N C 0.835 176.356 175.510 0.020 0.000 1.090 287 N CA 2.485 55.578 53.050 0.071 0.000 0.716 287 N CB -1.426 37.099 38.487 0.064 0.000 1.020 287 N HN 1.216 nan 8.380 nan 0.000 0.548 288 G N -1.366 107.403 108.800 -0.051 0.000 2.143 288 G HA2 -0.339 3.621 3.960 0.000 0.000 0.248 288 G HA3 -0.339 3.621 3.960 0.000 0.000 0.248 288 G C 0.265 175.033 174.900 -0.219 0.000 0.991 288 G CA 0.542 45.548 45.100 -0.156 0.000 0.689 288 G HN 0.597 nan 8.290 nan 0.000 0.522 289 Q N 0.559 120.275 119.800 -0.139 0.000 2.211 289 Q HA 0.257 4.597 4.340 0.000 0.000 0.231 289 Q C 0.935 176.783 176.000 -0.254 0.000 0.865 289 Q CA 0.610 56.328 55.803 -0.142 0.000 0.997 289 Q CB 0.577 29.440 28.738 0.208 0.000 1.101 289 Q HN 0.678 nan 8.270 nan 0.000 0.468 290 T N -4.254 110.133 114.554 -0.278 0.000 2.925 290 T HA 0.184 4.534 4.350 0.000 0.000 0.285 290 T C 1.244 175.790 174.700 -0.256 0.000 1.021 290 T CA -0.876 61.174 62.100 -0.083 0.000 1.042 290 T CB 1.463 70.417 68.868 0.142 0.000 1.037 290 T HN 0.251 nan 8.240 nan 0.000 0.481 291 C N 1.532 120.801 119.300 -0.052 0.000 2.419 291 C HA 0.021 4.481 4.460 0.000 0.000 0.281 291 C C 2.589 177.581 174.990 0.004 0.000 1.336 291 C CA 0.427 59.451 59.018 0.010 0.000 1.770 291 C CB -1.769 26.040 27.740 0.116 0.000 1.929 291 C HN 0.872 nan 8.230 nan 0.000 0.509 292 V N -2.681 117.265 119.914 0.053 0.000 3.647 292 V HA 0.260 4.380 4.120 0.000 0.000 0.279 292 V C 0.885 177.046 176.094 0.112 0.000 1.314 292 V CA -0.422 61.937 62.300 0.098 0.000 1.125 292 V CB -1.688 30.253 31.823 0.197 0.000 0.907 292 V HN 0.524 nan 8.190 nan 0.000 0.434 293 C N 2.753 122.035 119.300 -0.031 0.000 2.596 293 C HA 0.204 4.664 4.460 0.000 0.000 0.414 293 C C 1.487 176.436 174.990 -0.067 0.000 1.396 293 C CA 0.595 59.559 59.018 -0.090 0.000 1.698 293 C CB -0.829 26.775 27.740 -0.226 0.000 2.572 293 C HN 0.674 nan 8.230 nan 0.000 0.604 294 T N 4.758 119.262 114.554 -0.082 0.000 2.891 294 T HA -0.097 4.253 4.350 0.000 0.000 0.296 294 T C 1.039 175.625 174.700 -0.190 0.000 1.025 294 T CA 0.891 62.900 62.100 -0.152 0.000 1.149 294 T CB 0.066 68.653 68.868 -0.468 0.000 1.007 294 T HN 0.843 nan 8.240 nan 0.000 0.528 295 N N 2.353 120.984 118.700 -0.114 0.000 2.407 295 N HA 0.104 4.844 4.740 0.000 0.000 0.182 295 N C -0.169 175.331 175.510 -0.016 0.000 1.079 295 N CA 0.177 53.205 53.050 -0.038 0.000 0.882 295 N CB 0.594 39.109 38.487 0.046 0.000 1.106 295 N HN 0.484 nan 8.380 nan 0.000 0.461 296 R N -0.233 120.196 120.500 -0.118 0.000 2.533 296 R HA 0.290 4.630 4.340 0.000 0.000 0.288 296 R C -1.541 174.591 176.300 -0.280 0.000 1.039 296 R CA -0.605 55.394 56.100 -0.168 0.000 0.909 296 R CB 1.225 31.230 30.300 -0.493 0.000 1.195 296 R HN -0.058 nan 8.270 nan 0.000 0.438 297 F N 2.483 122.418 119.950 -0.026 0.000 2.404 297 F HA 0.411 4.938 4.527 0.000 0.000 0.345 297 F C -0.112 175.599 175.800 -0.148 0.000 1.110 297 F CA -0.353 57.667 58.000 0.033 0.000 1.130 297 F CB 0.828 39.881 39.000 0.088 0.000 1.129 297 F HN 0.328 nan 8.300 nan 0.000 0.500 298 F N 3.171 123.327 119.950 0.344 0.000 2.375 298 F HA 0.538 5.065 4.527 -0.000 0.000 0.361 298 F C -0.521 175.521 175.800 0.403 0.000 1.117 298 F CA -1.001 57.194 58.000 0.324 0.000 1.037 298 F CB 1.227 40.232 39.000 0.008 0.000 1.192 298 F HN -0.005 nan 8.300 nan 0.000 0.452 299 V N 3.064 123.291 119.914 0.522 0.000 2.459 299 V HA 0.237 4.357 4.120 0.000 0.000 0.295 299 V C 0.185 176.304 176.094 0.041 0.000 1.029 299 V CA -0.990 61.444 62.300 0.223 0.000 0.874 299 V CB 1.204 32.980 31.823 -0.079 0.000 0.985 299 V HN 0.593 nan 8.190 nan 0.000 0.438 300 H N 2.794 121.566 119.070 -0.496 0.000 3.001 300 H HA -0.006 4.550 4.556 0.000 0.000 0.334 300 H C 1.267 176.384 175.328 -0.351 0.000 1.034 300 H CA 1.106 56.549 56.048 -1.008 0.000 1.420 300 H CB 0.822 30.179 29.762 -0.675 0.000 1.405 300 H HN 0.921 nan 8.280 nan 0.000 0.593 301 E N 4.042 124.137 120.200 -0.174 0.000 2.136 301 E HA -0.289 4.061 4.350 0.000 0.000 0.208 301 E C 1.908 178.602 176.600 0.156 0.000 1.035 301 E CA 1.919 58.341 56.400 0.037 0.000 0.838 301 E CB 0.162 29.848 29.700 -0.024 0.000 0.748 301 E HN 0.655 nan 8.360 nan 0.000 0.459 302 R N -0.495 120.141 120.500 0.227 0.000 2.193 302 R HA -0.100 4.240 4.340 0.000 0.000 0.229 302 R C 1.953 178.288 176.300 0.058 0.000 1.110 302 R CA 1.441 57.579 56.100 0.063 0.000 0.988 302 R CB 0.007 30.252 30.300 -0.092 0.000 0.871 302 R HN 0.267 nan 8.270 nan 0.000 0.458 303 V N -4.348 115.619 119.914 0.087 0.000 3.253 303 V HA 0.124 4.245 4.120 0.000 0.000 0.320 303 V C 1.369 177.559 176.094 0.160 0.000 1.442 303 V CA -0.616 61.745 62.300 0.101 0.000 1.097 303 V CB -0.707 31.160 31.823 0.074 0.000 1.008 303 V HN 0.020 nan 8.190 nan 0.000 0.463 304 Y N 2.214 122.553 120.300 0.065 0.000 2.014 304 Y HA -0.258 4.292 4.550 -0.000 0.000 0.270 304 Y C 2.396 178.364 175.900 0.112 0.000 1.145 304 Y CA 2.721 60.875 58.100 0.090 0.000 1.106 304 Y CB -0.135 38.356 38.460 0.051 0.000 0.968 304 Y HN 0.291 nan 8.280 nan 0.000 0.484 305 D N -0.165 120.421 120.400 0.309 0.000 2.106 305 D HA -0.262 4.378 4.640 0.000 0.000 0.191 305 D C 2.228 178.569 176.300 0.068 0.000 0.997 305 D CA 1.653 55.759 54.000 0.176 0.000 0.834 305 D CB -0.601 40.285 40.800 0.143 0.000 0.956 305 D HN 0.504 nan 8.370 nan 0.000 0.448 306 A N 0.586 123.454 122.820 0.080 0.000 1.948 306 A HA -0.212 4.108 4.320 0.000 0.000 0.220 306 A C 2.076 179.679 177.584 0.031 0.000 1.177 306 A CA 1.274 53.341 52.037 0.049 0.000 0.636 306 A CB -0.930 18.110 19.000 0.067 0.000 0.815 306 A HN 0.282 nan 8.150 nan 0.000 0.449 307 F N 0.560 120.453 119.950 -0.095 0.000 2.128 307 F HA 0.107 4.634 4.527 0.000 0.000 0.295 307 F C 2.527 178.196 175.800 -0.219 0.000 1.100 307 F CA 1.015 58.923 58.000 -0.152 0.000 1.260 307 F CB -0.468 38.433 39.000 -0.164 0.000 1.009 307 F HN 0.244 nan 8.300 nan 0.000 0.476 308 A N 0.306 122.993 122.820 -0.222 0.000 1.883 308 A HA -0.235 4.085 4.320 0.000 0.000 0.217 308 A C 2.002 179.415 177.584 -0.286 0.000 1.186 308 A CA 2.183 54.034 52.037 -0.310 0.000 0.624 308 A CB -1.157 17.718 19.000 -0.208 0.000 0.822 308 A HN 0.453 nan 8.150 nan 0.000 0.444 309 D N -0.203 120.087 120.400 -0.184 0.000 2.092 309 D HA -0.146 4.494 4.640 0.000 0.000 0.193 309 D C 1.962 178.140 176.300 -0.203 0.000 0.994 309 D CA 1.617 55.528 54.000 -0.148 0.000 0.828 309 D CB -0.313 40.437 40.800 -0.084 0.000 0.963 309 D HN 0.527 nan 8.370 nan 0.000 0.450 310 K N -0.057 120.191 120.400 -0.253 0.000 2.147 310 K HA -0.105 4.215 4.320 0.000 0.000 0.205 310 K C 2.084 178.461 176.600 -0.372 0.000 1.049 310 K CA 0.335 56.459 56.287 -0.273 0.000 0.936 310 K CB -0.133 32.216 32.500 -0.252 0.000 0.722 310 K HN 0.064 nan 8.250 nan 0.000 0.446 311 L N 1.161 122.043 121.223 -0.568 0.000 2.056 311 L HA -0.071 4.269 4.340 0.000 0.000 0.207 311 L C 2.250 178.909 176.870 -0.352 0.000 1.078 311 L CA 1.632 56.125 54.840 -0.578 0.000 0.749 311 L CB -0.639 40.898 42.059 -0.870 0.000 0.901 311 L HN 0.099 nan 8.230 nan 0.000 0.433 312 A N -0.178 122.469 122.820 -0.289 0.000 1.883 312 A HA -0.194 4.126 4.320 0.000 0.000 0.217 312 A C 2.482 179.962 177.584 -0.172 0.000 1.186 312 A CA 2.192 54.113 52.037 -0.194 0.000 0.624 312 A CB -1.352 17.560 19.000 -0.147 0.000 0.822 312 A HN 0.596 nan 8.150 nan 0.000 0.444 313 A N -0.342 122.377 122.820 -0.168 0.000 1.883 313 A HA 0.097 4.417 4.320 0.000 0.000 0.217 313 A C 2.495 179.993 177.584 -0.144 0.000 1.186 313 A CA 2.422 54.377 52.037 -0.137 0.000 0.624 313 A CB -1.004 17.923 19.000 -0.123 0.000 0.822 313 A HN 1.156 nan 8.150 nan 0.000 0.444 314 A N -0.996 121.719 122.820 -0.176 0.000 1.970 314 A HA 0.155 4.475 4.320 0.000 0.000 0.216 314 A C 2.185 179.651 177.584 -0.196 0.000 1.170 314 A CA 1.368 53.305 52.037 -0.166 0.000 0.645 314 A CB -0.678 18.220 19.000 -0.171 0.000 0.816 314 A HN 0.334 nan 8.150 nan 0.000 0.447 315 V N 0.967 120.733 119.914 -0.246 0.000 2.295 315 V HA -0.246 3.874 4.120 0.000 0.000 0.246 315 V C 3.011 178.968 176.094 -0.229 0.000 1.049 315 V CA 2.406 64.509 62.300 -0.328 0.000 1.024 315 V CB -0.791 30.823 31.823 -0.348 0.000 0.648 315 V HN 0.818 nan 8.190 nan 0.000 0.447 316 S N 0.808 116.410 115.700 -0.163 0.000 2.442 316 S HA -0.169 4.301 4.470 0.000 0.000 0.236 316 S C 1.901 176.442 174.600 -0.098 0.000 1.007 316 S CA 1.549 59.682 58.200 -0.112 0.000 0.965 316 S CB -0.535 62.611 63.200 -0.090 0.000 0.773 316 S HN 0.642 nan 8.310 nan 0.000 0.504 317 K N 0.880 121.215 120.400 -0.109 0.000 2.525 317 K HA 0.480 4.800 4.320 0.000 0.000 0.192 317 K C 0.651 177.201 176.600 -0.083 0.000 1.029 317 K CA 0.492 56.728 56.287 -0.085 0.000 1.029 317 K CB -0.823 31.628 32.500 -0.081 0.000 0.814 317 K HN 0.654 nan 8.250 nan 0.000 0.503 318 L N 0.366 121.526 121.223 -0.105 0.000 2.343 318 L HA 0.415 4.755 4.340 0.000 0.000 0.275 318 L C 0.194 177.025 176.870 -0.065 0.000 1.056 318 L CA -0.947 53.837 54.840 -0.093 0.000 0.804 318 L CB 1.935 43.908 42.059 -0.143 0.000 1.203 318 L HN 0.084 nan 8.230 nan 0.000 0.440 319 K N 1.880 122.254 120.400 -0.043 0.000 2.293 319 K HA 0.460 4.780 4.320 0.000 0.000 0.267 319 K C -1.040 175.540 176.600 -0.033 0.000 1.010 319 K CA -0.581 55.685 56.287 -0.034 0.000 0.875 319 K CB 1.432 33.917 32.500 -0.025 0.000 1.106 319 K HN 0.352 nan 8.250 nan 0.000 0.450 320 V N 2.913 122.788 119.914 -0.066 0.000 2.583 320 V HA 0.684 4.804 4.120 0.000 0.000 0.287 320 V C 0.771 176.766 176.094 -0.165 0.000 1.051 320 V CA -0.062 62.167 62.300 -0.119 0.000 1.010 320 V CB 0.942 32.558 31.823 -0.346 0.000 0.988 320 V HN 1.034 nan 8.190 nan 0.000 0.478 321 G N 2.154 110.925 108.800 -0.047 0.000 2.320 321 G HA2 0.571 4.531 3.960 0.000 0.000 0.297 321 G HA3 0.571 4.531 3.960 0.000 0.000 0.297 321 G C -0.672 174.351 174.900 0.204 0.000 1.344 321 G CA -0.461 44.567 45.100 -0.119 0.000 0.851 321 G HN 0.907 nan 8.290 nan 0.000 0.567 322 R N -0.574 120.017 120.500 0.152 0.000 2.623 322 R HA 0.591 4.931 4.340 0.000 0.000 0.271 322 R C 1.787 178.171 176.300 0.139 0.000 1.043 322 R CA 1.232 57.488 56.100 0.260 0.000 1.083 322 R CB -0.140 30.256 30.300 0.160 0.000 0.974 322 R HN 2.306 nan 8.270 nan 0.000 0.436 323 G N -0.001 108.868 108.800 0.115 0.000 2.442 323 G HA2 -0.293 3.668 3.960 0.000 0.000 0.219 323 G HA3 -0.293 3.668 3.960 0.000 0.000 0.219 323 G C 1.686 176.611 174.900 0.043 0.000 1.141 323 G CA 1.711 46.848 45.100 0.063 0.000 0.763 323 G HN 0.961 nan 8.290 nan 0.000 0.554 324 T N -1.183 113.396 114.554 0.041 0.000 2.951 324 T HA 0.042 4.392 4.350 0.000 0.000 0.268 324 T C 1.058 175.770 174.700 0.021 0.000 1.073 324 T CA 0.747 62.863 62.100 0.026 0.000 1.134 324 T CB -0.039 68.842 68.868 0.022 0.000 0.884 324 T HN 0.446 nan 8.240 nan 0.000 0.479 325 E N 1.671 121.886 120.200 0.025 0.000 2.373 325 E HA 0.205 4.555 4.350 0.000 0.000 0.267 325 E C -0.789 175.819 176.600 0.012 0.000 1.032 325 E CA -0.349 56.060 56.400 0.014 0.000 0.889 325 E CB 0.554 30.260 29.700 0.010 0.000 0.984 325 E HN 0.242 nan 8.360 nan 0.000 0.425 326 S N 2.016 117.720 115.700 0.006 0.000 2.528 326 S HA 0.409 4.879 4.470 0.000 0.000 0.277 326 S C 0.781 175.383 174.600 0.002 0.000 1.297 326 S CA 0.232 58.435 58.200 0.005 0.000 1.052 326 S CB 1.202 64.403 63.200 0.002 0.000 0.917 326 S HN 0.848 nan 8.310 nan 0.000 0.492 327 G N 1.865 110.667 108.800 0.003 0.000 2.213 327 G HA2 -0.186 3.774 3.960 0.000 0.000 0.236 327 G HA3 -0.186 3.774 3.960 0.000 0.000 0.236 327 G C 0.238 175.139 174.900 0.001 0.000 0.991 327 G CA -0.224 44.876 45.100 -0.000 0.000 0.629 327 G HN 1.203 nan 8.290 nan 0.000 0.517 328 A N 0.955 123.780 122.820 0.008 0.000 2.491 328 A HA 0.601 4.921 4.320 0.000 0.000 0.261 328 A C 1.410 179.007 177.584 0.021 0.000 1.101 328 A CA 1.689 53.735 52.037 0.015 0.000 0.772 328 A CB 0.160 19.179 19.000 0.032 0.000 1.043 328 A HN 1.449 nan 8.150 nan 0.000 0.501 329 T N 0.204 114.769 114.554 0.017 0.000 3.044 329 T HA 0.456 4.806 4.350 0.000 0.000 0.260 329 T C 0.066 174.787 174.700 0.035 0.000 1.019 329 T CA 0.086 62.197 62.100 0.018 0.000 0.921 329 T CB -0.379 68.489 68.868 0.000 0.000 1.053 329 T HN 0.383 nan 8.240 nan 0.000 0.533 330 L N 1.620 122.875 121.223 0.052 0.000 2.491 330 L HA 0.662 5.002 4.340 0.000 0.000 0.267 330 L C 0.608 177.555 176.870 0.129 0.000 0.971 330 L CA -1.082 53.806 54.840 0.079 0.000 0.857 330 L CB 1.871 43.975 42.059 0.076 0.000 1.226 330 L HN 0.286 nan 8.230 nan 0.000 0.408 331 G N 3.095 111.935 108.800 0.065 0.000 2.508 331 G HA2 0.587 4.547 3.960 0.000 0.000 0.278 331 G HA3 0.587 4.547 3.960 0.000 0.000 0.278 331 G C -2.667 172.054 174.900 -0.299 0.000 1.389 331 G CA -0.828 44.256 45.100 -0.028 0.000 1.050 331 G HN 0.302 nan 8.290 nan 0.000 0.522 332 P HA 0.345 nan 4.420 nan 0.000 0.281 332 P C -0.864 176.261 177.300 -0.291 0.000 1.281 332 P CA -0.713 61.904 63.100 -0.805 0.000 0.811 332 P CB 1.152 32.197 31.700 -1.093 0.000 1.154 333 L N 1.716 122.840 121.223 -0.165 0.000 2.331 333 L HA 0.186 4.526 4.340 0.000 0.000 0.278 333 L C 2.026 178.804 176.870 -0.153 0.000 1.106 333 L CA -0.167 54.624 54.840 -0.083 0.000 0.824 333 L CB -0.615 41.431 42.059 -0.021 0.000 1.142 333 L HN 0.422 nan 8.230 nan 0.000 0.443 334 I N 2.536 122.969 120.570 -0.228 0.000 2.479 334 I HA -0.297 3.874 4.170 0.000 0.000 0.258 334 I C 0.396 176.334 176.117 -0.299 0.000 1.165 334 I CA 1.067 62.156 61.300 -0.351 0.000 1.422 334 I CB -0.011 37.527 38.000 -0.771 0.000 1.087 334 I HN 0.956 nan 8.210 nan 0.000 0.441 335 N N -2.217 116.333 118.700 -0.250 0.000 3.106 335 N HA 0.038 4.778 4.740 0.000 0.000 0.253 335 N C 0.199 175.656 175.510 -0.088 0.000 1.506 335 N CA -0.622 52.334 53.050 -0.157 0.000 0.876 335 N CB 0.450 38.821 38.487 -0.193 0.000 1.452 335 N HN -0.259 nan 8.380 nan 0.000 0.542 336 E N -0.116 120.053 120.200 -0.052 0.000 2.072 336 E HA -0.019 4.331 4.350 0.000 0.000 0.191 336 E C 1.594 178.181 176.600 -0.020 0.000 0.985 336 E CA 1.406 57.795 56.400 -0.018 0.000 0.801 336 E CB -0.363 29.328 29.700 -0.016 0.000 0.750 336 E HN 0.660 nan 8.360 nan 0.000 0.452 337 A N 1.075 123.869 122.820 -0.042 0.000 1.978 337 A HA -0.113 4.207 4.320 0.000 0.000 0.220 337 A C 2.340 179.899 177.584 -0.042 0.000 1.170 337 A CA 1.901 53.915 52.037 -0.038 0.000 0.636 337 A CB -0.441 18.531 19.000 -0.047 0.000 0.810 337 A HN 0.296 nan 8.150 nan 0.000 0.448 338 A N -0.591 122.193 122.820 -0.060 0.000 1.929 338 A HA 0.084 4.404 4.320 0.000 0.000 0.216 338 A C 2.159 179.716 177.584 -0.045 0.000 1.176 338 A CA 1.518 53.526 52.037 -0.048 0.000 0.628 338 A CB -0.736 18.227 19.000 -0.063 0.000 0.816 338 A HN 0.383 nan 8.150 nan 0.000 0.444 339 V N 0.344 120.250 119.914 -0.014 0.000 2.407 339 V HA -0.213 3.907 4.120 0.000 0.000 0.248 339 V C 3.126 179.234 176.094 0.023 0.000 1.055 339 V CA 2.513 64.836 62.300 0.039 0.000 1.049 339 V CB -1.238 30.662 31.823 0.128 0.000 0.662 339 V HN 0.701 nan 8.190 nan 0.000 0.455 340 K N 0.382 120.791 120.400 0.016 0.000 2.217 340 K HA -0.151 4.169 4.320 0.000 0.000 0.202 340 K C 2.057 178.651 176.600 -0.010 0.000 1.051 340 K CA 1.742 58.042 56.287 0.021 0.000 0.952 340 K CB -0.449 32.062 32.500 0.018 0.000 0.736 340 K HN 0.495 nan 8.250 nan 0.000 0.453 341 K N 0.348 120.715 120.400 -0.054 0.000 2.001 341 K HA -0.035 4.285 4.320 0.000 0.000 0.208 341 K C 2.030 178.526 176.600 -0.173 0.000 1.048 341 K CA 1.464 57.685 56.287 -0.110 0.000 0.932 341 K CB -0.397 32.020 32.500 -0.139 0.000 0.715 341 K HN 0.129 nan 8.250 nan 0.000 0.437 342 V N 1.437 121.225 119.914 -0.210 0.000 2.332 342 V HA -0.281 3.839 4.120 0.000 0.000 0.248 342 V C 2.079 178.069 176.094 -0.173 0.000 1.055 342 V CA 2.200 64.321 62.300 -0.299 0.000 1.038 342 V CB -0.553 30.892 31.823 -0.630 0.000 0.651 342 V HN 0.399 nan 8.190 nan 0.000 0.450 343 E N 0.047 120.201 120.200 -0.076 0.000 2.051 343 E HA -0.222 4.128 4.350 0.000 0.000 0.192 343 E C 2.453 179.115 176.600 0.105 0.000 0.991 343 E CA 1.542 58.003 56.400 0.101 0.000 0.799 343 E CB -0.308 29.490 29.700 0.163 0.000 0.748 343 E HN 0.531 nan 8.360 nan 0.000 0.449 344 S N -0.298 115.455 115.700 0.087 0.000 2.383 344 S HA -0.220 4.250 4.470 0.000 0.000 0.229 344 S C 1.792 176.513 174.600 0.201 0.000 1.030 344 S CA 1.275 59.550 58.200 0.126 0.000 1.002 344 S CB -0.241 63.028 63.200 0.116 0.000 0.829 344 S HN 0.387 nan 8.310 nan 0.000 0.467 345 H N -0.465 118.621 119.070 0.027 0.000 2.403 345 H HA 0.110 4.666 4.556 0.000 0.000 0.298 345 H C 2.117 177.469 175.328 0.040 0.000 1.059 345 H CA 1.351 57.420 56.048 0.035 0.000 1.363 345 H CB 0.051 29.830 29.762 0.029 0.000 1.410 345 H HN 0.390 nan 8.280 nan 0.000 0.528 346 I N 0.647 121.317 120.570 0.167 0.000 2.163 346 I HA -0.220 3.950 4.170 0.000 0.000 0.240 346 I C 2.857 179.034 176.117 0.099 0.000 1.081 346 I CA 0.877 62.254 61.300 0.127 0.000 1.353 346 I CB -0.256 37.842 38.000 0.163 0.000 1.054 346 I HN 0.196 nan 8.210 nan 0.000 0.407 347 A N 0.331 123.214 122.820 0.104 0.000 1.948 347 A HA -0.344 3.976 4.320 0.000 0.000 0.220 347 A C 1.964 179.581 177.584 0.056 0.000 1.177 347 A CA 2.594 54.678 52.037 0.078 0.000 0.636 347 A CB -0.859 18.189 19.000 0.080 0.000 0.815 347 A HN 0.520 nan 8.150 nan 0.000 0.449 348 D N -0.865 119.567 120.400 0.054 0.000 2.149 348 D HA 0.071 4.711 4.640 0.000 0.000 0.201 348 D C 2.027 178.331 176.300 0.007 0.000 0.972 348 D CA 1.333 55.349 54.000 0.026 0.000 0.835 348 D CB -0.158 40.648 40.800 0.011 0.000 0.966 348 D HN 0.349 nan 8.370 nan 0.000 0.476 349 A N 0.533 123.356 122.820 0.006 0.000 1.855 349 A HA -0.096 4.224 4.320 0.000 0.000 0.215 349 A C 2.176 179.758 177.584 -0.004 0.000 1.191 349 A CA 0.826 52.855 52.037 -0.013 0.000 0.613 349 A CB -0.866 18.127 19.000 -0.011 0.000 0.829 349 A HN 0.307 nan 8.150 nan 0.000 0.442 350 L N -0.374 120.858 121.223 0.016 0.000 1.997 350 L HA -0.271 4.069 4.340 0.000 0.000 0.216 350 L C 3.064 179.941 176.870 0.012 0.000 1.074 350 L CA 2.381 57.232 54.840 0.017 0.000 0.763 350 L CB -1.649 40.429 42.059 0.031 0.000 0.890 350 L HN 0.484 nan 8.230 nan 0.000 0.434 351 A N -0.702 122.128 122.820 0.016 0.000 1.986 351 A HA -0.226 4.094 4.320 0.000 0.000 0.220 351 A C 2.091 179.680 177.584 0.008 0.000 1.171 351 A CA 1.664 53.709 52.037 0.014 0.000 0.640 351 A CB -0.345 18.667 19.000 0.019 0.000 0.811 351 A HN 0.450 nan 8.150 nan 0.000 0.451 352 K N -1.885 118.517 120.400 0.002 0.000 2.372 352 K HA 0.296 4.616 4.320 0.000 0.000 0.200 352 K C 0.790 177.384 176.600 -0.010 0.000 1.022 352 K CA 0.474 56.760 56.287 -0.002 0.000 1.125 352 K CB 0.305 32.802 32.500 -0.004 0.000 0.855 352 K HN 0.631 nan 8.250 nan 0.000 0.524 353 G N 0.937 109.731 108.800 -0.009 0.000 2.175 353 G HA2 -0.197 3.763 3.960 0.000 0.000 0.182 353 G HA3 -0.197 3.763 3.960 0.000 0.000 0.182 353 G C 0.122 175.011 174.900 -0.019 0.000 1.003 353 G CA -0.155 44.938 45.100 -0.013 0.000 0.666 353 G HN 0.379 nan 8.290 nan 0.000 0.506 354 A N 0.202 123.008 122.820 -0.023 0.000 2.371 354 A HA 0.761 5.081 4.320 0.000 0.000 0.257 354 A C 0.651 178.233 177.584 -0.003 0.000 1.089 354 A CA 0.739 52.761 52.037 -0.025 0.000 0.794 354 A CB 0.645 19.622 19.000 -0.038 0.000 1.029 354 A HN 0.998 nan 8.150 nan 0.000 0.488 355 S N 0.826 116.529 115.700 0.004 0.000 2.462 355 S HA 0.447 4.917 4.470 0.000 0.000 0.294 355 S C -0.340 174.273 174.600 0.023 0.000 1.144 355 S CA -0.515 57.694 58.200 0.015 0.000 1.088 355 S CB 1.036 64.246 63.200 0.017 0.000 1.009 355 S HN 0.630 nan 8.310 nan 0.000 0.484 356 L N 3.356 124.594 121.223 0.026 0.000 2.426 356 L HA 0.363 4.703 4.340 0.000 0.000 0.271 356 L C 0.645 177.528 176.870 0.023 0.000 1.169 356 L CA 0.708 55.569 54.840 0.033 0.000 0.836 356 L CB 0.407 42.489 42.059 0.039 0.000 1.112 356 L HN 0.874 nan 8.230 nan 0.000 0.465 357 M N 1.583 121.196 119.600 0.021 0.000 2.329 357 M HA 0.160 4.640 4.480 0.000 0.000 0.281 357 M C -0.291 176.005 176.300 -0.006 0.000 1.088 357 M CA 0.237 55.538 55.300 0.002 0.000 1.108 357 M CB 0.697 33.290 32.600 -0.011 0.000 1.657 357 M HN 0.727 nan 8.290 nan 0.000 0.579 358 T N -0.703 113.858 114.554 0.012 0.000 2.977 358 T HA 0.517 4.867 4.350 0.000 0.000 0.345 358 T C -0.104 174.624 174.700 0.047 0.000 1.562 358 T CA 0.438 62.543 62.100 0.009 0.000 1.090 358 T CB 1.190 70.046 68.868 -0.020 0.000 1.383 358 T HN 0.654 nan 8.240 nan 0.000 0.484 359 G N 2.494 111.317 108.800 0.038 0.000 2.556 359 G HA2 0.221 4.181 3.960 0.000 0.000 0.283 359 G HA3 0.221 4.181 3.960 0.000 0.000 0.283 359 G C 1.124 176.065 174.900 0.069 0.000 1.177 359 G CA 1.511 46.646 45.100 0.058 0.000 0.978 359 G HN 2.460 nan 8.290 nan 0.000 0.554 360 G N -3.399 105.494 108.800 0.155 0.000 2.218 360 G HA2 0.488 4.448 3.960 0.000 0.000 0.216 360 G HA3 0.488 4.448 3.960 0.000 0.000 0.216 360 G C 0.648 175.633 174.900 0.141 0.000 0.994 360 G CA 1.650 46.870 45.100 0.200 0.000 0.637 360 G HN 2.497 nan 8.290 nan 0.000 0.505 361 K N 0.017 120.311 120.400 -0.177 0.000 2.409 361 K HA 0.919 5.239 4.320 0.000 0.000 0.252 361 K C 0.288 176.233 176.600 -1.093 0.000 1.036 361 K CA -0.236 55.809 56.287 -0.404 0.000 0.871 361 K CB 0.641 33.028 32.500 -0.189 0.000 1.374 361 K HN 0.581 nan 8.250 nan 0.000 0.459 362 R N 1.215 121.251 120.500 -0.773 0.000 2.694 362 R HA 0.174 4.514 4.340 0.000 0.000 0.268 362 R C 0.364 176.491 176.300 -0.289 0.000 1.061 362 R CA -0.548 55.197 56.100 -0.591 0.000 1.133 362 R CB 0.309 30.520 30.300 -0.149 0.000 1.020 362 R HN 0.732 nan 8.270 nan 0.000 0.475 363 H N 0.618 119.580 119.070 -0.179 0.000 2.547 363 H HA 0.109 4.665 4.556 -0.000 0.000 0.362 363 H C 0.686 175.980 175.328 -0.056 0.000 1.181 363 H CA 0.319 56.319 56.048 -0.080 0.000 1.376 363 H CB 1.542 31.323 29.762 0.033 0.000 1.488 363 H HN 0.724 nan 8.280 nan 0.000 0.583 364 A N 4.232 126.699 122.820 -0.589 0.000 1.940 364 A HA -0.173 4.147 4.320 0.000 0.000 0.219 364 A C 2.837 180.372 177.584 -0.080 0.000 1.176 364 A CA 1.943 53.788 52.037 -0.320 0.000 0.631 364 A CB -1.288 17.465 19.000 -0.412 0.000 0.814 364 A HN 0.669 nan 8.150 nan 0.000 0.446 365 L N -1.545 119.735 121.223 0.095 0.000 2.450 365 L HA 0.349 4.689 4.340 0.000 0.000 0.224 365 L C 1.963 178.931 176.870 0.164 0.000 1.149 365 L CA 1.723 56.568 54.840 0.008 0.000 0.816 365 L CB -2.285 39.496 42.059 -0.463 0.000 0.932 365 L HN 1.802 nan 8.230 nan 0.000 0.449 366 G N -2.469 106.452 108.800 0.201 0.000 2.562 366 G HA2 -0.206 3.754 3.960 0.000 0.000 0.250 366 G HA3 -0.206 3.754 3.960 0.000 0.000 0.250 366 G C 0.362 175.468 174.900 0.342 0.000 1.269 366 G CA 0.729 45.931 45.100 0.170 0.000 0.919 366 G HN 1.696 nan 8.290 nan 0.000 0.574 367 H N -1.785 117.387 119.070 0.170 0.000 1.452 367 H HA -0.263 4.293 4.556 0.000 0.000 0.090 367 H C 2.213 177.609 175.328 0.113 0.000 0.988 367 H CA 3.281 59.407 56.048 0.130 0.000 1.901 367 H CB -1.221 28.626 29.762 0.142 0.000 2.257 367 H HN 1.690 nan 8.280 nan 0.000 0.961 368 G N -0.157 108.759 108.800 0.194 0.000 2.985 368 G HA2 0.151 4.111 3.960 0.000 0.000 0.209 368 G HA3 0.151 4.111 3.960 0.000 0.000 0.209 368 G C -0.317 174.596 174.900 0.023 0.000 1.165 368 G CA -0.112 45.004 45.100 0.027 0.000 0.776 368 G HN 0.195 nan 8.290 nan 0.000 0.541 369 F N 0.562 120.609 119.950 0.161 0.000 2.506 369 F HA 0.474 5.001 4.527 0.000 0.000 0.371 369 F C -0.028 175.905 175.800 0.221 0.000 1.078 369 F CA -0.614 57.473 58.000 0.145 0.000 1.195 369 F CB 0.499 39.560 39.000 0.102 0.000 1.099 369 F HN -0.041 nan 8.300 nan 0.000 0.548 370 F N 2.509 122.600 119.950 0.235 0.000 2.546 370 F HA 0.380 4.907 4.527 0.000 0.000 0.320 370 F C 0.016 175.936 175.800 0.200 0.000 1.076 370 F CA -0.949 57.171 58.000 0.200 0.000 0.928 370 F CB 1.231 40.310 39.000 0.131 0.000 1.189 370 F HN 0.387 nan 8.300 nan 0.000 0.465 371 E N 4.653 124.915 120.200 0.104 0.000 2.360 371 E HA 0.168 4.518 4.350 0.000 0.000 0.269 371 E C -2.343 174.459 176.600 0.337 0.000 1.022 371 E CA -1.674 54.840 56.400 0.190 0.000 0.887 371 E CB 0.454 30.173 29.700 0.032 0.000 0.990 371 E HN 0.212 nan 8.360 nan 0.000 0.426 372 P HA -0.046 nan 4.420 nan 0.000 0.261 372 P C -1.086 176.330 177.300 0.193 0.000 1.183 372 P CA 0.522 63.728 63.100 0.176 0.000 0.761 372 P CB 0.507 32.163 31.700 -0.074 0.000 0.785 373 T N 2.848 117.587 114.554 0.309 0.000 2.848 373 T HA 0.478 4.828 4.350 0.000 0.000 0.285 373 T C -0.461 174.372 174.700 0.223 0.000 0.995 373 T CA -0.455 61.794 62.100 0.248 0.000 0.970 373 T CB 1.168 70.216 68.868 0.300 0.000 0.976 373 T HN -0.046 nan 8.240 nan 0.000 0.441 374 V N 4.242 124.231 119.914 0.126 0.000 2.604 374 V HA 0.597 4.717 4.120 0.000 0.000 0.305 374 V C -0.642 175.483 176.094 0.052 0.000 1.043 374 V CA -0.815 61.529 62.300 0.075 0.000 0.888 374 V CB 1.831 33.649 31.823 -0.009 0.000 0.995 374 V HN 0.719 nan 8.190 nan 0.000 0.429 375 L N 3.995 125.244 121.223 0.045 0.000 2.362 375 L HA 0.782 5.122 4.340 0.000 0.000 0.271 375 L C 0.193 177.077 176.870 0.025 0.000 1.002 375 L CA -0.325 54.535 54.840 0.032 0.000 0.818 375 L CB 2.671 44.748 42.059 0.029 0.000 1.298 375 L HN 0.846 nan 8.230 nan 0.000 0.420 376 T N -2.420 112.160 114.554 0.044 0.000 2.927 376 T HA 0.602 4.952 4.350 0.000 0.000 0.286 376 T C 0.771 175.508 174.700 0.062 0.000 1.040 376 T CA -0.144 62.030 62.100 0.122 0.000 1.010 376 T CB 1.688 70.673 68.868 0.194 0.000 1.177 376 T HN 0.931 nan 8.240 nan 0.000 0.546 377 G N 0.017 108.863 108.800 0.076 0.000 2.283 377 G HA2 -0.179 3.781 3.960 0.000 0.000 0.280 377 G HA3 -0.179 3.781 3.960 0.000 0.000 0.280 377 G C 0.019 174.851 174.900 -0.112 0.000 1.029 377 G CA 0.134 45.206 45.100 -0.047 0.000 0.840 377 G HN 1.051 nan 8.290 nan 0.000 0.505 378 V N -0.449 119.339 119.914 -0.209 0.000 2.583 378 V HA 0.781 4.901 4.120 0.000 0.000 0.287 378 V C 0.667 176.423 176.094 -0.563 0.000 1.051 378 V CA 0.610 62.632 62.300 -0.463 0.000 1.010 378 V CB 1.097 32.475 31.823 -0.743 0.000 0.988 378 V HN 0.938 nan 8.190 nan 0.000 0.478 379 K N 4.742 124.933 120.400 -0.348 0.000 2.433 379 K HA 0.710 5.030 4.320 0.000 0.000 0.252 379 K C -2.583 174.134 176.600 0.194 0.000 1.015 379 K CA -1.506 54.765 56.287 -0.027 0.000 0.860 379 K CB 0.700 33.208 32.500 0.013 0.000 1.359 379 K HN 0.422 nan 8.250 nan 0.000 0.452 380 P HA -0.105 nan 4.420 nan 0.000 0.225 380 P C 0.436 177.841 177.300 0.174 0.000 1.148 380 P CA 1.206 64.489 63.100 0.305 0.000 0.779 380 P CB 0.280 32.122 31.700 0.237 0.000 0.780 381 D N -1.677 118.792 120.400 0.114 0.000 2.371 381 D HA -0.083 4.557 4.640 0.000 0.000 0.221 381 D C 0.651 176.983 176.300 0.054 0.000 0.986 381 D CA 0.447 54.489 54.000 0.070 0.000 0.899 381 D CB -0.617 40.212 40.800 0.047 0.000 0.902 381 D HN 0.182 nan 8.370 nan 0.000 0.530 382 M N 0.704 120.340 119.600 0.060 0.000 2.255 382 M HA 0.074 4.554 4.480 0.000 0.000 0.336 382 M C 0.854 177.157 176.300 0.006 0.000 1.135 382 M CA -0.562 54.748 55.300 0.016 0.000 1.145 382 M CB 1.052 33.639 32.600 -0.021 0.000 1.473 382 M HN -0.339 nan 8.290 nan 0.000 0.462 383 D N 0.847 121.199 120.400 -0.079 0.000 2.144 383 D HA -0.137 4.503 4.640 0.000 0.000 0.199 383 D C 1.779 177.924 176.300 -0.258 0.000 0.984 383 D CA 1.085 54.993 54.000 -0.153 0.000 0.834 383 D CB -0.045 40.622 40.800 -0.222 0.000 0.955 383 D HN 0.410 nan 8.370 nan 0.000 0.465 384 V N 0.668 120.370 119.914 -0.352 0.000 2.720 384 V HA -0.183 3.937 4.120 0.000 0.000 0.256 384 V C 2.085 178.269 176.094 0.150 0.000 1.082 384 V CA 1.769 63.975 62.300 -0.156 0.000 1.101 384 V CB -0.429 31.387 31.823 -0.012 0.000 0.693 384 V HN 0.191 nan 8.190 nan 0.000 0.479 385 A N -0.464 122.482 122.820 0.209 0.000 2.019 385 A HA -0.090 4.230 4.320 0.000 0.000 0.219 385 A C 2.231 179.920 177.584 0.175 0.000 1.164 385 A CA 2.319 54.512 52.037 0.259 0.000 0.644 385 A CB -0.438 18.742 19.000 0.300 0.000 0.805 385 A HN 0.657 nan 8.150 nan 0.000 0.449 386 K N -0.518 119.979 120.400 0.161 0.000 2.474 386 K HA 0.345 4.665 4.320 0.000 0.000 0.204 386 K C 0.363 177.131 176.600 0.281 0.000 1.220 386 K CA 0.586 56.986 56.287 0.189 0.000 0.966 386 K CB 0.207 32.785 32.500 0.129 0.000 1.049 386 K HN 0.641 nan 8.250 nan 0.000 0.554 387 E N 0.399 120.755 120.200 0.261 0.000 2.221 387 E HA 0.334 4.684 4.350 0.000 0.000 0.268 387 E C -1.243 175.569 176.600 0.354 0.000 0.933 387 E CA -0.800 55.793 56.400 0.322 0.000 0.809 387 E CB 2.099 32.030 29.700 0.385 0.000 1.190 387 E HN 0.352 nan 8.360 nan 0.000 0.406 388 E N 0.940 121.284 120.200 0.239 0.000 2.223 388 E HA 0.051 4.402 4.350 0.000 0.000 0.282 388 E C 0.212 176.960 176.600 0.247 0.000 1.046 388 E CA 0.002 56.558 56.400 0.260 0.000 0.857 388 E CB 0.885 30.769 29.700 0.306 0.000 1.055 388 E HN 0.478 nan 8.360 nan 0.000 0.409 389 T N 3.320 117.989 114.554 0.191 0.000 2.777 389 T HA -0.150 4.200 4.350 0.000 0.000 0.266 389 T C 0.321 175.084 174.700 0.105 0.000 1.040 389 T CA 0.494 62.561 62.100 -0.055 0.000 1.141 389 T CB -0.201 68.695 68.868 0.046 0.000 0.868 389 T HN 0.603 nan 8.240 nan 0.000 0.444 390 F N 0.996 120.904 119.950 -0.070 0.000 3.039 390 F HA -0.027 4.500 4.527 0.000 0.000 0.287 390 F C 0.786 176.573 175.800 -0.022 0.000 0.956 390 F CA 0.662 58.651 58.000 -0.018 0.000 0.971 390 F CB -1.522 37.502 39.000 0.040 0.000 0.943 390 F HN 0.401 nan 8.300 nan 0.000 0.766 391 G N -0.813 107.985 108.800 -0.004 0.000 2.559 391 G HA2 0.586 4.546 3.960 0.000 0.000 0.291 391 G HA3 0.586 4.546 3.960 0.000 0.000 0.291 391 G C -3.108 171.750 174.900 -0.069 0.000 1.424 391 G CA -0.827 44.249 45.100 -0.039 0.000 0.786 391 G HN -0.195 nan 8.290 nan 0.000 0.485 392 P HA 0.243 nan 4.420 nan 0.000 0.232 392 P C -0.633 176.739 177.300 0.121 0.000 1.738 392 P CA -0.073 63.075 63.100 0.079 0.000 0.948 392 P CB 0.126 32.039 31.700 0.355 0.000 1.943 393 L N 1.021 122.231 121.223 -0.021 0.000 2.325 393 L HA 0.682 5.022 4.340 0.000 0.000 0.281 393 L C -0.477 176.436 176.870 0.071 0.000 1.004 393 L CA -0.955 53.926 54.840 0.068 0.000 0.823 393 L CB 1.662 43.759 42.059 0.063 0.000 1.236 393 L HN 0.053 nan 8.230 nan 0.000 0.415 394 A N 7.030 129.947 122.820 0.161 0.000 2.540 394 A HA 0.749 5.069 4.320 0.000 0.000 0.340 394 A C -2.579 175.143 177.584 0.231 0.000 1.424 394 A CA -1.276 50.913 52.037 0.253 0.000 0.940 394 A CB -0.315 18.786 19.000 0.170 0.000 1.149 394 A HN 0.536 nan 8.150 nan 0.000 0.505 395 P HA 0.369 nan 4.420 nan 0.000 0.291 395 P C -0.706 176.748 177.300 0.255 0.000 1.340 395 P CA -0.030 63.179 63.100 0.183 0.000 0.799 395 P CB 0.840 32.653 31.700 0.189 0.000 0.917 396 L N 4.734 126.018 121.223 0.101 0.000 2.257 396 L HA 0.445 4.785 4.340 0.000 0.000 0.290 396 L C 0.169 177.132 176.870 0.154 0.000 1.044 396 L CA -0.487 54.456 54.840 0.173 0.000 0.810 396 L CB 0.014 42.070 42.059 -0.005 0.000 1.193 396 L HN 0.242 nan 8.230 nan 0.000 0.425 397 F N 2.030 122.046 119.950 0.110 0.000 2.432 397 F HA 0.564 5.091 4.527 0.000 0.000 0.329 397 F C 0.598 176.638 175.800 0.399 0.000 1.076 397 F CA -0.687 57.397 58.000 0.139 0.000 1.018 397 F CB 1.480 40.355 39.000 -0.208 0.000 1.201 397 F HN 0.414 nan 8.300 nan 0.000 0.489 398 R N 1.849 122.650 120.500 0.501 0.000 2.598 398 R HA 0.684 5.024 4.340 0.000 0.000 0.279 398 R C -1.566 174.983 176.300 0.415 0.000 0.984 398 R CA -0.604 55.700 56.100 0.339 0.000 0.999 398 R CB 1.412 31.698 30.300 -0.023 0.000 1.114 398 R HN 0.650 nan 8.270 nan 0.000 0.493 399 F N -0.368 119.630 119.950 0.079 0.000 2.678 399 F HA 0.626 5.154 4.527 0.000 0.000 0.308 399 F C -0.914 174.715 175.800 -0.284 0.000 1.118 399 F CA -0.759 57.203 58.000 -0.062 0.000 0.959 399 F CB 1.567 40.524 39.000 -0.070 0.000 1.305 399 F HN 0.476 nan 8.300 nan 0.000 0.443 400 A N 1.079 123.818 122.820 -0.135 0.000 2.324 400 A HA 0.668 4.988 4.320 0.000 0.000 0.220 400 A C 0.219 177.734 177.584 -0.115 0.000 1.209 400 A CA 0.684 52.577 52.037 -0.241 0.000 0.918 400 A CB -0.468 18.503 19.000 -0.049 0.000 0.959 400 A HN 1.408 nan 8.150 nan 0.000 0.507 401 S N -1.969 113.793 115.700 0.104 0.000 2.615 401 S HA 0.408 4.878 4.470 0.000 0.000 0.269 401 S C 0.345 175.158 174.600 0.355 0.000 1.161 401 S CA 0.167 58.506 58.200 0.233 0.000 0.817 401 S CB 1.046 64.339 63.200 0.156 0.000 1.131 401 S HN 0.170 nan 8.310 nan 0.000 0.467 402 E N 0.750 121.176 120.200 0.377 0.000 2.031 402 E HA -0.221 4.129 4.350 0.000 0.000 0.193 402 E C 1.708 178.392 176.600 0.140 0.000 0.994 402 E CA 1.566 58.175 56.400 0.349 0.000 0.800 402 E CB -0.295 29.569 29.700 0.272 0.000 0.752 402 E HN 0.788 nan 8.360 nan 0.000 0.447 403 E N 0.430 120.689 120.200 0.099 0.000 2.097 403 E HA -0.290 4.060 4.350 0.000 0.000 0.196 403 E C 2.085 178.683 176.600 -0.003 0.000 1.000 403 E CA 1.519 57.942 56.400 0.039 0.000 0.804 403 E CB -0.082 29.642 29.700 0.040 0.000 0.740 403 E HN 0.296 nan 8.360 nan 0.000 0.454 404 E N 0.142 120.350 120.200 0.014 0.000 2.106 404 E HA -0.188 4.162 4.350 0.000 0.000 0.192 404 E C 2.342 178.843 176.600 -0.164 0.000 0.984 404 E CA 0.821 57.205 56.400 -0.026 0.000 0.806 404 E CB -0.064 29.665 29.700 0.047 0.000 0.750 404 E HN 0.292 nan 8.360 nan 0.000 0.458 405 L N 0.428 121.481 121.223 -0.283 0.000 2.017 405 L HA -0.170 4.170 4.340 0.000 0.000 0.208 405 L C 2.314 178.900 176.870 -0.474 0.000 1.073 405 L CA 1.248 55.694 54.840 -0.656 0.000 0.745 405 L CB -0.370 41.104 42.059 -0.975 0.000 0.894 405 L HN -0.045 nan 8.230 nan 0.000 0.432 406 V N 0.139 119.904 119.914 -0.248 0.000 2.287 406 V HA -0.343 3.777 4.120 0.000 0.000 0.248 406 V C 2.814 178.801 176.094 -0.178 0.000 1.053 406 V CA 2.330 64.529 62.300 -0.170 0.000 1.027 406 V CB -0.778 30.998 31.823 -0.078 0.000 0.646 406 V HN 0.517 nan 8.190 nan 0.000 0.447 407 R N -0.828 119.579 120.500 -0.155 0.000 2.091 407 R HA -0.180 4.160 4.340 0.000 0.000 0.238 407 R C 2.199 178.393 176.300 -0.176 0.000 1.136 407 R CA 1.577 57.599 56.100 -0.130 0.000 0.959 407 R CB -0.257 29.991 30.300 -0.087 0.000 0.856 407 R HN 0.329 nan 8.270 nan 0.000 0.437 408 L N 0.023 121.070 121.223 -0.294 0.000 2.072 408 L HA -0.023 4.317 4.340 0.000 0.000 0.205 408 L C 2.381 178.955 176.870 -0.494 0.000 1.079 408 L CA 1.881 56.481 54.840 -0.400 0.000 0.752 408 L CB -0.995 40.687 42.059 -0.629 0.000 0.906 408 L HN 0.188 nan 8.230 nan 0.000 0.436 409 A N -0.814 121.660 122.820 -0.576 0.000 1.968 409 A HA -0.129 4.191 4.320 0.000 0.000 0.217 409 A C 1.931 179.497 177.584 -0.031 0.000 1.169 409 A CA 1.421 53.247 52.037 -0.352 0.000 0.638 409 A CB -0.379 18.418 19.000 -0.339 0.000 0.812 409 A HN 0.472 nan 8.150 nan 0.000 0.446 410 N N -0.014 118.641 118.700 -0.076 0.000 2.373 410 N HA -0.011 4.729 4.740 0.000 0.000 0.181 410 N C -0.097 175.368 175.510 -0.075 0.000 1.082 410 N CA 0.326 53.346 53.050 -0.050 0.000 0.885 410 N CB -0.081 38.363 38.487 -0.071 0.000 0.977 410 N HN 0.284 nan 8.380 nan 0.000 0.462 411 D N 1.115 121.473 120.400 -0.070 0.000 2.848 411 D HA 0.014 4.654 4.640 0.000 0.000 0.232 411 D C -0.539 175.738 176.300 -0.039 0.000 1.107 411 D CA 0.423 54.391 54.000 -0.054 0.000 1.020 411 D CB -0.380 40.397 40.800 -0.038 0.000 1.148 411 D HN -0.009 nan 8.370 nan 0.000 0.453 412 T N -1.948 112.561 114.554 -0.075 0.000 2.889 412 T HA 0.469 4.819 4.350 0.000 0.000 0.315 412 T C 0.900 175.455 174.700 -0.241 0.000 1.291 412 T CA 0.089 62.127 62.100 -0.103 0.000 1.028 412 T CB 1.315 70.201 68.868 0.030 0.000 1.235 412 T HN -0.007 nan 8.240 nan 0.000 0.491 413 E N 2.345 122.274 120.200 -0.453 0.000 2.274 413 E HA 0.228 4.578 4.350 0.000 0.000 0.194 413 E C 0.168 176.425 176.600 -0.571 0.000 0.996 413 E CA 0.960 57.009 56.400 -0.586 0.000 0.840 413 E CB -0.380 28.842 29.700 -0.796 0.000 0.772 413 E HN 0.556 nan 8.360 nan 0.000 0.491 414 F N -1.106 118.794 119.950 -0.083 0.000 2.408 414 F HA 0.644 5.171 4.527 0.000 0.000 0.325 414 F C 1.274 176.913 175.800 -0.267 0.000 1.082 414 F CA -0.856 57.082 58.000 -0.103 0.000 1.032 414 F CB 2.187 41.181 39.000 -0.010 0.000 1.259 414 F HN -0.028 nan 8.300 nan 0.000 0.503 415 G N 1.208 109.962 108.800 -0.077 0.000 4.775 415 G HA2 0.353 4.313 3.960 0.000 0.000 0.222 415 G HA3 0.353 4.313 3.960 0.000 0.000 0.222 415 G C -0.531 174.300 174.900 -0.115 0.000 0.974 415 G CA -0.121 44.695 45.100 -0.472 0.000 0.614 415 G HN 0.534 nan 8.290 nan 0.000 0.427 416 L N 1.147 122.434 121.223 0.108 0.000 2.334 416 L HA 0.878 5.218 4.340 0.000 0.000 0.195 416 L C 1.351 178.234 176.870 0.022 0.000 1.281 416 L CA 1.274 56.119 54.840 0.009 0.000 1.004 416 L CB -0.326 41.708 42.059 -0.041 0.000 1.119 416 L HN 0.331 nan 8.230 nan 0.000 0.575 417 A N -0.990 121.797 122.820 -0.054 0.000 2.311 417 A HA 0.849 5.169 4.320 0.000 0.000 0.334 417 A C -0.955 176.293 177.584 -0.560 0.000 1.139 417 A CA 0.079 51.931 52.037 -0.308 0.000 0.830 417 A CB 0.881 19.690 19.000 -0.317 0.000 1.234 417 A HN 0.692 nan 8.150 nan 0.000 0.483 418 A N 0.077 122.351 122.820 -0.910 0.000 2.594 418 A HA 0.743 5.063 4.320 0.000 0.000 0.295 418 A C -1.847 175.092 177.584 -1.074 0.000 1.071 418 A CA -0.435 51.009 52.037 -0.988 0.000 0.685 418 A CB 0.936 19.273 19.000 -1.105 0.000 1.285 418 A HN 0.909 nan 8.150 nan 0.000 0.405 419 Y N -0.011 120.071 120.300 -0.363 0.000 2.442 419 Y HA 0.693 5.243 4.550 0.000 0.000 0.344 419 Y C -0.587 175.055 175.900 -0.430 0.000 0.976 419 Y CA -0.827 57.017 58.100 -0.427 0.000 1.040 419 Y CB 2.359 40.453 38.460 -0.610 0.000 1.228 419 Y HN 0.671 nan 8.280 nan 0.000 0.451 420 L N 3.539 124.627 121.223 -0.225 0.000 2.439 420 L HA 0.580 4.920 4.340 0.000 0.000 0.270 420 L C -2.241 174.539 176.870 -0.150 0.000 0.972 420 L CA -0.870 53.904 54.840 -0.110 0.000 0.836 420 L CB 1.087 43.081 42.059 -0.108 0.000 1.255 420 L HN 0.588 nan 8.230 nan 0.000 0.404 421 Y N 3.865 124.184 120.300 0.031 0.000 2.345 421 Y HA 0.751 5.301 4.550 0.000 0.000 0.331 421 Y C 0.319 176.333 175.900 0.191 0.000 0.959 421 Y CA 0.023 58.182 58.100 0.098 0.000 1.204 421 Y CB 1.943 40.478 38.460 0.126 0.000 1.135 421 Y HN 0.723 nan 8.280 nan 0.000 0.477 422 S N 1.909 117.712 115.700 0.171 0.000 2.615 422 S HA 0.540 5.010 4.470 0.000 0.000 0.269 422 S C -0.039 174.597 174.600 0.060 0.000 1.161 422 S CA -0.732 57.545 58.200 0.128 0.000 0.817 422 S CB 1.298 64.483 63.200 -0.025 0.000 1.131 422 S HN 0.627 nan 8.310 nan 0.000 0.467 423 R N 0.819 121.348 120.500 0.048 0.000 2.287 423 R HA 0.259 4.599 4.340 0.000 0.000 0.197 423 R C -0.461 175.850 176.300 0.019 0.000 0.900 423 R CA 0.086 56.210 56.100 0.041 0.000 1.052 423 R CB -0.747 29.587 30.300 0.056 0.000 1.117 423 R HN 0.680 nan 8.270 nan 0.000 0.568 424 D N 2.002 122.399 120.400 -0.005 0.000 2.359 424 D HA 0.029 4.669 4.640 0.000 0.000 0.250 424 D C 1.561 177.860 176.300 -0.001 0.000 1.264 424 D CA -0.088 53.904 54.000 -0.013 0.000 0.911 424 D CB 0.340 41.119 40.800 -0.035 0.000 1.056 424 D HN -0.177 nan 8.370 nan 0.000 0.499 425 I N 4.077 124.661 120.570 0.023 0.000 2.161 425 I HA -0.292 3.878 4.170 0.000 0.000 0.246 425 I C 1.906 178.067 176.117 0.074 0.000 1.048 425 I CA 1.940 63.277 61.300 0.061 0.000 1.314 425 I CB -0.957 37.042 38.000 -0.001 0.000 1.014 425 I HN 0.663 nan 8.210 nan 0.000 0.418 426 G N -0.530 108.272 108.800 0.004 0.000 2.403 426 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 426 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 426 G C 1.877 176.787 174.900 0.016 0.000 1.154 426 G CA 0.670 45.769 45.100 -0.002 0.000 0.784 426 G HN 0.389 nan 8.290 nan 0.000 0.538 427 R N 0.022 120.499 120.500 -0.038 0.000 2.115 427 R HA 0.034 4.374 4.340 0.000 0.000 0.226 427 R C 2.534 178.767 176.300 -0.112 0.000 1.100 427 R CA 0.931 56.957 56.100 -0.124 0.000 0.980 427 R CB -0.188 29.947 30.300 -0.274 0.000 0.875 427 R HN 0.247 nan 8.270 nan 0.000 0.445 428 V N -0.020 119.873 119.914 -0.034 0.000 2.255 428 V HA -0.262 3.858 4.120 0.000 0.000 0.247 428 V C 1.876 177.970 176.094 -0.000 0.000 1.051 428 V CA 1.947 64.232 62.300 -0.025 0.000 1.018 428 V CB -0.717 31.127 31.823 0.035 0.000 0.641 428 V HN 0.427 nan 8.190 nan 0.000 0.445 429 W N 0.331 121.579 121.300 -0.087 0.000 2.358 429 W HA -0.061 4.599 4.660 -0.000 0.000 0.303 429 W C 2.811 179.292 176.519 -0.064 0.000 1.208 429 W CA 1.404 58.708 57.345 -0.067 0.000 1.274 429 W CB -0.530 28.898 29.460 -0.054 0.000 1.138 429 W HN 0.045 nan 8.180 nan 0.000 0.515 430 R N -0.339 120.249 120.500 0.147 0.000 2.083 430 R HA -0.167 4.173 4.340 0.000 0.000 0.237 430 R C 1.927 178.232 176.300 0.008 0.000 1.137 430 R CA 2.032 58.168 56.100 0.061 0.000 0.951 430 R CB -1.082 29.235 30.300 0.029 0.000 0.851 430 R HN 0.106 nan 8.270 nan 0.000 0.434 431 V N 0.602 120.500 119.914 -0.026 0.000 2.323 431 V HA -0.174 3.946 4.120 0.000 0.000 0.244 431 V C 2.413 178.465 176.094 -0.070 0.000 1.041 431 V CA 1.761 64.037 62.300 -0.040 0.000 1.025 431 V CB -0.622 31.183 31.823 -0.029 0.000 0.656 431 V HN 0.406 nan 8.190 nan 0.000 0.451 432 A N -0.307 122.443 122.820 -0.116 0.000 1.908 432 A HA -0.280 4.040 4.320 0.000 0.000 0.218 432 A C 2.173 179.673 177.584 -0.140 0.000 1.181 432 A CA 2.140 54.072 52.037 -0.176 0.000 0.627 432 A CB -0.469 18.349 19.000 -0.304 0.000 0.818 432 A HN 0.636 nan 8.150 nan 0.000 0.445 433 E N -0.585 119.556 120.200 -0.098 0.000 2.072 433 E HA -0.041 4.309 4.350 0.000 0.000 0.190 433 E C 2.239 178.815 176.600 -0.040 0.000 0.982 433 E CA 0.804 57.169 56.400 -0.058 0.000 0.803 433 E CB -0.248 29.454 29.700 0.003 0.000 0.755 433 E HN 0.611 nan 8.360 nan 0.000 0.453 434 A N 1.031 123.832 122.820 -0.030 0.000 2.121 434 A HA -0.046 4.274 4.320 0.000 0.000 0.218 434 A C 1.145 178.715 177.584 -0.023 0.000 1.154 434 A CA 0.401 52.422 52.037 -0.027 0.000 0.679 434 A CB -0.348 18.638 19.000 -0.023 0.000 0.795 434 A HN 0.089 nan 8.150 nan 0.000 0.458 435 L N 1.190 122.407 121.223 -0.011 0.000 2.361 435 L HA 0.097 4.437 4.340 0.000 0.000 0.278 435 L C 0.088 177.010 176.870 0.086 0.000 1.113 435 L CA -0.161 54.724 54.840 0.075 0.000 0.849 435 L CB 0.724 42.814 42.059 0.053 0.000 1.155 435 L HN 0.310 nan 8.230 nan 0.000 0.452 436 E N 4.682 124.894 120.200 0.021 0.000 2.110 436 E HA 0.166 4.516 4.350 0.000 0.000 0.300 436 E C -1.376 174.947 176.600 -0.461 0.000 1.278 436 E CA -0.023 56.259 56.400 -0.197 0.000 1.365 436 E CB 0.072 29.623 29.700 -0.248 0.000 1.283 436 E HN 0.369 nan 8.360 nan 0.000 0.490 437 Y N -1.492 118.728 120.300 -0.133 0.000 2.524 437 Y HA 0.311 4.861 4.550 0.000 0.000 0.347 437 Y C 1.363 177.158 175.900 -0.176 0.000 1.005 437 Y CA -0.988 57.019 58.100 -0.155 0.000 1.025 437 Y CB 1.781 40.129 38.460 -0.186 0.000 1.275 437 Y HN 0.225 nan 8.280 nan 0.000 0.460 438 G N 1.470 110.234 108.800 -0.059 0.000 2.448 438 G HA2 0.028 3.988 3.960 0.000 0.000 0.218 438 G HA3 0.028 3.988 3.960 0.000 0.000 0.218 438 G C 0.102 174.904 174.900 -0.164 0.000 1.135 438 G CA 0.540 45.558 45.100 -0.137 0.000 0.784 438 G HN 0.444 nan 8.290 nan 0.000 0.543 439 M N 0.083 119.581 119.600 -0.170 0.000 2.324 439 M HA 0.463 4.943 4.480 0.000 0.000 0.288 439 M C -1.841 174.294 176.300 -0.275 0.000 1.097 439 M CA -0.521 54.645 55.300 -0.222 0.000 0.928 439 M CB 3.405 35.840 32.600 -0.275 0.000 1.648 439 M HN -0.264 nan 8.290 nan 0.000 0.460 440 V N 1.543 121.294 119.914 -0.272 0.000 2.483 440 V HA 0.686 4.806 4.120 0.000 0.000 0.297 440 V C 0.207 176.128 176.094 -0.290 0.000 1.027 440 V CA -0.740 61.359 62.300 -0.335 0.000 0.855 440 V CB 1.889 33.543 31.823 -0.281 0.000 0.995 440 V HN 1.012 nan 8.190 nan 0.000 0.424 441 G N 4.759 113.366 108.800 -0.323 0.000 2.339 441 G HA2 0.652 4.612 3.960 0.000 0.000 0.287 441 G HA3 0.652 4.612 3.960 0.000 0.000 0.287 441 G C -0.632 174.152 174.900 -0.193 0.000 1.163 441 G CA -0.335 44.680 45.100 -0.140 0.000 0.872 441 G HN 0.644 nan 8.290 nan 0.000 0.464 442 I N 2.653 123.097 120.570 -0.210 0.000 2.328 442 I HA 0.153 4.323 4.170 0.000 0.000 0.287 442 I C 0.057 175.962 176.117 -0.354 0.000 1.012 442 I CA -0.710 60.425 61.300 -0.275 0.000 1.195 442 I CB 1.298 39.166 38.000 -0.219 0.000 1.350 442 I HN 0.510 nan 8.210 nan 0.000 0.464 443 N N 2.275 120.555 118.700 -0.699 0.000 2.714 443 N HA -0.189 4.551 4.740 0.000 0.000 0.250 443 N C -0.094 175.087 175.510 -0.548 0.000 1.117 443 N CA 1.352 53.804 53.050 -0.997 0.000 0.719 443 N CB -0.891 37.379 38.487 -0.360 0.000 1.081 443 N HN 0.733 nan 8.380 nan 0.000 0.557 444 T N -2.892 111.443 114.554 -0.364 0.000 2.883 444 T HA 0.628 4.978 4.350 0.000 0.000 0.301 444 T C 0.879 175.714 174.700 0.225 0.000 1.158 444 T CA 0.125 62.263 62.100 0.064 0.000 1.007 444 T CB 1.712 70.608 68.868 0.046 0.000 1.186 444 T HN 0.055 nan 8.240 nan 0.000 0.499 445 G N 1.664 110.634 108.800 0.284 0.000 3.192 445 G HA2 0.398 4.358 3.960 0.000 0.000 0.239 445 G HA3 0.398 4.358 3.960 0.000 0.000 0.239 445 G C -0.145 174.809 174.900 0.089 0.000 1.084 445 G CA -0.100 45.100 45.100 0.168 0.000 0.784 445 G HN 0.568 nan 8.290 nan 0.000 0.540 446 L N 1.218 122.528 121.223 0.144 0.000 2.376 446 L HA 0.532 4.872 4.340 0.000 0.000 0.275 446 L C 0.476 177.418 176.870 0.120 0.000 0.987 446 L CA -0.734 54.176 54.840 0.117 0.000 0.828 446 L CB 2.029 44.126 42.059 0.063 0.000 1.249 446 L HN 0.254 nan 8.230 nan 0.000 0.409 447 I N -2.414 118.238 120.570 0.136 0.000 4.670 447 I HA 0.274 4.444 4.170 0.000 0.000 0.339 447 I C 0.236 176.421 176.117 0.113 0.000 1.310 447 I CA -0.060 61.305 61.300 0.109 0.000 1.288 447 I CB 1.150 39.215 38.000 0.107 0.000 1.427 447 I HN 0.310 nan 8.210 nan 0.000 0.494 448 S N 3.417 119.186 115.700 0.115 0.000 2.510 448 S HA 0.470 4.940 4.470 0.000 0.000 0.279 448 S C -0.334 174.328 174.600 0.104 0.000 1.284 448 S CA -0.158 58.121 58.200 0.131 0.000 1.059 448 S CB 0.195 63.374 63.200 -0.035 0.000 0.901 448 S HN 0.801 nan 8.310 nan 0.000 0.491 449 N N 0.392 119.181 118.700 0.148 0.000 3.227 449 N HA 0.159 4.899 4.740 0.000 0.000 0.241 449 N C 0.161 175.513 175.510 -0.264 0.000 1.480 449 N CA -0.858 52.189 53.050 -0.005 0.000 0.886 449 N CB 0.456 38.889 38.487 -0.089 0.000 1.406 449 N HN 0.322 nan 8.380 nan 0.000 0.514 450 E N -0.174 119.622 120.200 -0.673 0.000 2.285 450 E HA -0.080 4.270 4.350 0.000 0.000 0.194 450 E C 1.190 177.112 176.600 -1.131 0.000 0.997 450 E CA 1.377 57.118 56.400 -1.098 0.000 0.845 450 E CB -0.227 28.635 29.700 -1.397 0.000 0.782 450 E HN 0.474 nan 8.360 nan 0.000 0.491 451 V N 0.110 119.476 119.914 -0.914 0.000 3.406 451 V HA 0.363 4.483 4.120 0.000 0.000 0.263 451 V C 0.901 176.772 176.094 -0.372 0.000 1.172 451 V CA 0.550 62.301 62.300 -0.914 0.000 1.140 451 V CB -0.317 31.149 31.823 -0.594 0.000 0.784 451 V HN 0.316 nan 8.190 nan 0.000 0.467 452 A N 2.131 124.821 122.820 -0.217 0.000 2.306 452 A HA 0.792 5.112 4.320 0.000 0.000 0.314 452 A C -2.657 174.957 177.584 0.049 0.000 1.164 452 A CA -1.929 50.082 52.037 -0.043 0.000 0.822 452 A CB 0.580 19.575 19.000 -0.009 0.000 1.130 452 A HN 0.366 nan 8.150 nan 0.000 0.496 453 P HA 0.160 nan 4.420 nan 0.000 0.275 453 P C -1.087 176.266 177.300 0.089 0.000 1.276 453 P CA 0.397 63.553 63.100 0.094 0.000 0.782 453 P CB 0.041 31.718 31.700 -0.037 0.000 0.851 454 F N 4.238 124.193 119.950 0.009 0.000 2.404 454 F HA 0.653 5.180 4.527 -0.000 0.000 0.354 454 F C 0.488 176.276 175.800 -0.020 0.000 1.122 454 F CA 0.676 58.673 58.000 -0.004 0.000 1.080 454 F CB 1.229 40.245 39.000 0.027 0.000 1.131 454 F HN 0.577 nan 8.300 nan 0.000 0.471 455 G N 2.776 111.326 108.800 -0.416 0.000 2.325 455 G HA2 0.453 4.413 3.960 0.000 0.000 0.297 455 G HA3 0.453 4.413 3.960 0.000 0.000 0.297 455 G C -1.509 173.217 174.900 -0.290 0.000 1.448 455 G CA -0.258 44.695 45.100 -0.244 0.000 0.838 455 G HN 0.990 nan 8.290 nan 0.000 0.579 456 G N -1.749 106.942 108.800 -0.182 0.000 0.000 456 G HA2 0.983 4.943 3.960 0.000 0.000 0.000 456 G HA3 0.983 4.943 3.960 0.000 0.000 0.000 456 G C -0.086 174.745 174.900 -0.115 0.000 0.000 456 G CA 0.182 45.193 45.100 -0.150 0.000 0.000 456 G HN 1.891 nan 8.290 nan 0.000 0.000 457 V N -3.106 116.736 119.914 -0.120 0.000 3.229 457 V HA 0.834 4.955 4.120 0.000 0.000 0.310 457 V C 0.806 176.836 176.094 -0.106 0.000 1.206 457 V CA -0.312 61.918 62.300 -0.117 0.000 1.051 457 V CB 0.940 32.678 31.823 -0.142 0.000 1.183 457 V HN 1.068 nan 8.190 nan 0.000 0.466 458 K N -1.171 119.166 120.400 -0.105 0.000 1.779 458 K HA -0.240 4.080 4.320 0.000 0.000 0.128 458 K C 1.027 177.597 176.600 -0.049 0.000 1.288 458 K CA 1.955 58.182 56.287 -0.100 0.000 0.398 458 K CB -1.264 31.143 32.500 -0.155 0.000 0.609 458 K HN 0.814 nan 8.250 nan 0.000 0.874 459 Q N 0.560 120.344 119.800 -0.027 0.000 2.322 459 Q HA 0.150 4.490 4.340 0.000 0.000 0.203 459 Q C 0.879 176.992 176.000 0.188 0.000 0.923 459 Q CA 0.726 56.567 55.803 0.063 0.000 0.949 459 Q CB 0.760 29.500 28.738 0.004 0.000 1.039 459 Q HN 0.367 nan 8.270 nan 0.000 0.496 460 S N -0.643 115.125 115.700 0.113 0.000 2.524 460 S HA 0.353 4.823 4.470 0.000 0.000 0.216 460 S C 0.941 175.557 174.600 0.027 0.000 0.987 460 S CA 0.432 58.680 58.200 0.081 0.000 0.909 460 S CB 0.664 63.882 63.200 0.030 0.000 0.781 460 S HN 0.606 nan 8.310 nan 0.000 0.521 461 G N 0.794 109.605 108.800 0.018 0.000 2.297 461 G HA2 0.044 4.004 3.960 0.000 0.000 0.209 461 G HA3 0.044 4.004 3.960 0.000 0.000 0.209 461 G C -1.859 173.035 174.900 -0.011 0.000 1.267 461 G CA -0.888 44.221 45.100 0.015 0.000 1.127 461 G HN 0.282 nan 8.290 nan 0.000 0.498 462 L N -0.037 121.182 121.223 -0.007 0.000 2.415 462 L HA 0.803 5.143 4.340 0.000 0.000 0.256 462 L C 0.794 177.655 176.870 -0.016 0.000 1.010 462 L CA -0.208 54.621 54.840 -0.018 0.000 0.826 462 L CB 1.726 43.777 42.059 -0.013 0.000 1.405 462 L HN 2.662 nan 8.230 nan 0.000 0.410 463 G N 1.053 109.840 108.800 -0.022 0.000 2.829 463 G HA2 -0.065 3.895 3.960 0.000 0.000 0.628 463 G HA3 -0.065 3.895 3.960 0.000 0.000 0.628 463 G C -1.300 173.603 174.900 0.006 0.000 1.412 463 G CA -0.864 44.232 45.100 -0.007 0.000 0.864 463 G HN 0.544 nan 8.290 nan 0.000 0.544 464 R N 0.348 120.879 120.500 0.050 0.000 2.574 464 R HA 0.464 4.804 4.340 0.000 0.000 0.288 464 R C -0.375 176.036 176.300 0.184 0.000 1.004 464 R CA -0.747 55.407 56.100 0.090 0.000 0.895 464 R CB 1.901 32.223 30.300 0.036 0.000 1.191 464 R HN 0.740 nan 8.270 nan 0.000 0.444 465 E N 0.338 120.672 120.200 0.224 0.000 2.242 465 E HA 0.567 4.917 4.350 0.000 0.000 0.275 465 E C 0.223 177.019 176.600 0.327 0.000 1.002 465 E CA -0.072 56.479 56.400 0.251 0.000 0.841 465 E CB 1.512 31.284 29.700 0.120 0.000 1.109 465 E HN 0.770 nan 8.360 nan 0.000 0.394 466 G N 1.977 111.089 108.800 0.519 0.000 2.782 466 G HA2 -0.140 3.820 3.960 0.000 0.000 0.228 466 G HA3 -0.140 3.820 3.960 0.000 0.000 0.228 466 G C 0.017 175.082 174.900 0.275 0.000 1.372 466 G CA -0.180 45.159 45.100 0.399 0.000 0.862 466 G HN 1.546 nan 8.290 nan 0.000 0.547 467 S N -3.030 112.644 115.700 -0.044 0.000 3.513 467 S HA -0.222 4.248 4.470 0.000 0.000 0.636 467 S C 0.962 175.854 174.600 0.487 0.000 2.452 467 S CA 2.052 60.301 58.200 0.083 0.000 2.644 467 S CB -1.171 62.078 63.200 0.081 0.000 0.331 467 S HN 2.853 nan 8.310 nan 0.000 1.787 468 H N -0.292 118.988 119.070 0.351 0.000 2.548 468 H HA 0.320 4.876 4.556 0.000 0.000 0.268 468 H C 1.471 176.868 175.328 0.115 0.000 0.975 468 H CA 1.285 57.448 56.048 0.193 0.000 1.195 468 H CB -0.672 29.082 29.762 -0.013 0.000 1.397 468 H HN 0.578 nan 8.280 nan 0.000 0.572 469 Y N 1.050 121.370 120.300 0.034 0.000 2.439 469 Y HA 0.114 4.664 4.550 0.000 0.000 0.292 469 Y C 2.721 178.754 175.900 0.221 0.000 1.130 469 Y CA 0.843 59.013 58.100 0.118 0.000 1.254 469 Y CB -0.303 38.157 38.460 -0.000 0.000 1.000 469 Y HN 0.473 nan 8.280 nan 0.000 0.554 470 G N -0.029 109.053 108.800 0.470 0.000 2.432 470 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 470 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 470 G C 1.612 176.753 174.900 0.402 0.000 1.135 470 G CA 0.856 46.250 45.100 0.490 0.000 0.767 470 G HN 0.499 nan 8.290 nan 0.000 0.550 471 I N -0.184 120.628 120.570 0.405 0.000 3.251 471 I HA 0.053 4.223 4.170 0.000 0.000 0.277 471 I C 1.545 177.840 176.117 0.297 0.000 1.268 471 I CA 0.447 61.915 61.300 0.280 0.000 1.449 471 I CB 0.127 38.280 38.000 0.255 0.000 1.083 471 I HN -0.041 nan 8.210 nan 0.000 0.464 472 D N 0.984 121.548 120.400 0.272 0.000 2.224 472 D HA -0.152 4.488 4.640 0.000 0.000 0.205 472 D C 1.330 177.716 176.300 0.143 0.000 0.965 472 D CA 1.012 55.135 54.000 0.204 0.000 0.852 472 D CB -0.024 40.905 40.800 0.216 0.000 0.947 472 D HN 0.411 nan 8.370 nan 0.000 0.494 473 D N -0.635 119.831 120.400 0.110 0.000 2.363 473 D HA -0.075 4.565 4.640 0.000 0.000 0.220 473 D C 0.835 177.011 176.300 -0.207 0.000 0.994 473 D CA 0.337 54.297 54.000 -0.068 0.000 0.890 473 D CB 0.183 40.888 40.800 -0.157 0.000 0.906 473 D HN 0.378 nan 8.370 nan 0.000 0.530 474 Y N 0.100 120.413 120.300 0.021 0.000 2.458 474 Y HA 0.085 4.635 4.550 0.000 0.000 0.256 474 Y C 0.775 176.696 175.900 0.035 0.000 1.159 474 Y CA -0.350 57.754 58.100 0.006 0.000 1.261 474 Y CB 0.659 39.106 38.460 -0.023 0.000 1.119 474 Y HN -0.226 nan 8.280 nan 0.000 0.524 475 V N -2.692 117.316 119.914 0.155 0.000 2.914 475 V HA 0.730 4.851 4.120 0.000 0.000 0.314 475 V C -0.775 175.375 176.094 0.094 0.000 1.084 475 V CA -1.281 61.099 62.300 0.132 0.000 0.963 475 V CB 1.904 33.806 31.823 0.133 0.000 1.025 475 V HN -0.282 nan 8.190 nan 0.000 0.432 476 V N 4.488 124.461 119.914 0.098 0.000 2.667 476 V HA 0.658 4.778 4.120 0.000 0.000 0.308 476 V C -0.180 175.964 176.094 0.084 0.000 1.048 476 V CA -0.676 61.673 62.300 0.081 0.000 0.928 476 V CB 1.809 33.682 31.823 0.083 0.000 1.004 476 V HN 1.079 nan 8.190 nan 0.000 0.444 477 I N 3.941 124.556 120.570 0.076 0.000 2.392 477 I HA 0.620 4.790 4.170 0.000 0.000 0.295 477 I C -0.571 175.599 176.117 0.089 0.000 0.985 477 I CA -0.306 61.042 61.300 0.079 0.000 1.221 477 I CB 1.109 39.152 38.000 0.072 0.000 1.366 477 I HN 0.667 nan 8.210 nan 0.000 0.467 478 K N 6.142 126.598 120.400 0.093 0.000 2.323 478 K HA 0.293 4.613 4.320 0.000 0.000 0.259 478 K C -1.847 174.840 176.600 0.146 0.000 0.947 478 K CA -0.743 55.603 56.287 0.099 0.000 0.819 478 K CB 1.365 33.903 32.500 0.063 0.000 1.109 478 K HN 0.707 nan 8.250 nan 0.000 0.429 479 Y N 5.920 126.231 120.300 0.018 0.000 2.335 479 Y HA 0.360 4.910 4.550 0.000 0.000 0.339 479 Y C -1.529 174.377 175.900 0.010 0.000 0.987 479 Y CA -1.049 57.059 58.100 0.014 0.000 1.140 479 Y CB 0.647 39.115 38.460 0.014 0.000 1.173 479 Y HN 0.450 nan 8.280 nan 0.000 0.486 480 L N 7.777 128.966 121.223 -0.056 0.000 2.276 480 L HA 0.358 4.698 4.340 0.000 0.000 0.286 480 L C -0.511 176.211 176.870 -0.245 0.000 1.024 480 L CA -0.704 54.015 54.840 -0.201 0.000 0.826 480 L CB 1.073 43.100 42.059 -0.053 0.000 1.211 480 L HN 0.740 nan 8.230 nan 0.000 0.422 481 C N 5.282 124.316 119.300 -0.444 0.000 2.265 481 C HA 0.620 5.080 4.460 0.000 0.000 0.332 481 C C 0.193 175.124 174.990 -0.099 0.000 1.248 481 C CA -0.329 58.556 59.018 -0.222 0.000 1.727 481 C CB 0.228 27.793 27.740 -0.291 0.000 2.348 481 C HN 0.578 nan 8.230 nan 0.000 0.519 482 V N 7.046 126.945 119.914 -0.024 0.000 2.378 482 V HA 0.561 4.681 4.120 0.000 0.000 0.288 482 V C 0.732 176.824 176.094 -0.004 0.000 1.016 482 V CA -0.436 61.852 62.300 -0.019 0.000 0.840 482 V CB 1.137 32.955 31.823 -0.008 0.000 0.994 482 V HN 1.096 nan 8.190 nan 0.000 0.431 483 A N 4.612 127.425 122.820 -0.010 0.000 2.477 483 A HA 0.515 4.835 4.320 0.000 0.000 0.246 483 A C 0.277 177.860 177.584 -0.001 0.000 1.078 483 A CA 0.181 52.216 52.037 -0.003 0.000 0.770 483 A CB 0.731 19.727 19.000 -0.007 0.000 1.011 483 A HN 0.838 nan 8.150 nan 0.000 0.494 484 V N 0.000 119.916 119.914 0.003 0.000 2.409 484 V HA 0.000 4.120 4.120 0.000 0.000 0.244 484 V CA 0.000 62.302 62.300 0.003 0.000 1.235 484 V CB 0.000 31.826 31.823 0.006 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556