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 3ifh_1_W 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 0.000 174.867 174.900 -0.054 0.000 0.946 3 G CA 0.000 45.060 45.100 -0.066 0.000 0.502 4 S N 0.816 116.482 115.700 -0.057 0.000 2.561 4 S HA 0.628 5.098 4.470 0.000 0.000 0.245 4 S C 0.373 174.945 174.600 -0.045 0.000 1.001 4 S CA -0.256 57.917 58.200 -0.044 0.000 1.002 4 S CB -0.523 62.655 63.200 -0.037 0.000 0.805 4 S HN 0.290 nan 8.310 nan 0.000 0.458 5 M N 0.454 120.022 119.600 -0.054 0.000 2.662 5 M HA 0.452 4.932 4.480 0.000 0.000 0.310 5 M C 0.509 176.785 176.300 -0.041 0.000 1.204 5 M CA -0.622 54.647 55.300 -0.051 0.000 0.891 5 M CB 1.938 34.494 32.600 -0.073 0.000 1.732 5 M HN -0.154 nan 8.290 nan 0.000 0.467 6 K N 0.156 120.537 120.400 -0.031 0.000 2.366 6 K HA -0.029 4.291 4.320 0.000 0.000 0.198 6 K C -0.177 176.411 176.600 -0.021 0.000 1.044 6 K CA 0.892 57.166 56.287 -0.021 0.000 0.973 6 K CB 0.143 32.635 32.500 -0.012 0.000 0.767 6 K HN 0.369 nan 8.250 nan 0.000 0.475 7 D N -0.989 119.393 120.400 -0.030 0.000 2.621 7 D HA 0.173 4.813 4.640 0.000 0.000 0.274 7 D C -2.357 173.898 176.300 -0.076 0.000 1.215 7 D CA -2.042 51.941 54.000 -0.028 0.000 0.810 7 D CB 0.849 41.654 40.800 0.009 0.000 1.248 7 D HN -0.213 nan 8.370 nan 0.000 0.517 8 P HA -0.084 nan 4.420 nan 0.000 0.222 8 P C 1.149 178.318 177.300 -0.219 0.000 1.142 8 P CA 0.742 63.757 63.100 -0.142 0.000 0.788 8 P CB 0.325 31.958 31.700 -0.112 0.000 0.767 9 S N -1.138 114.424 115.700 -0.230 0.000 2.537 9 S HA -0.039 4.431 4.470 0.000 0.000 0.240 9 S C 1.587 175.739 174.600 -0.746 0.000 0.981 9 S CA 0.662 58.603 58.200 -0.433 0.000 0.948 9 S CB -0.852 62.183 63.200 -0.275 0.000 0.759 9 S HN 0.207 nan 8.310 nan 0.000 0.531 10 L N 0.316 121.280 121.223 -0.432 0.000 2.156 10 L HA 0.104 4.444 4.340 0.000 0.000 0.208 10 L C 0.735 177.375 176.870 -0.384 0.000 1.095 10 L CA 0.367 54.993 54.840 -0.357 0.000 0.770 10 L CB -0.134 41.846 42.059 -0.131 0.000 0.914 10 L HN 0.258 nan 8.230 nan 0.000 0.439 11 L N 1.840 122.819 121.223 -0.406 0.000 2.363 11 L HA 0.165 4.505 4.340 0.000 0.000 0.286 11 L C 0.021 176.567 176.870 -0.539 0.000 1.106 11 L CA 0.136 54.679 54.840 -0.494 0.000 0.859 11 L CB -0.172 41.564 42.059 -0.539 0.000 1.223 11 L HN 0.004 nan 8.230 nan 0.000 0.446 12 R N 3.815 124.044 120.500 -0.452 0.000 2.404 12 R HA 0.296 4.636 4.340 0.000 0.000 0.291 12 R C 0.116 176.240 176.300 -0.293 0.000 1.025 12 R CA -0.384 55.458 56.100 -0.429 0.000 0.991 12 R CB 0.666 30.691 30.300 -0.458 0.000 1.053 12 R HN 0.585 nan 8.270 nan 0.000 0.479 13 H N 0.827 119.862 119.070 -0.059 0.000 2.528 13 H HA 0.277 4.833 4.556 0.000 0.000 0.282 13 H C -0.114 175.229 175.328 0.026 0.000 1.097 13 H CA 0.052 56.120 56.048 0.033 0.000 1.121 13 H CB 1.251 31.001 29.762 -0.020 0.000 1.590 13 H HN 0.402 nan 8.280 nan 0.000 0.553 14 Q N -0.156 119.732 119.800 0.147 0.000 2.495 14 Q HA 0.678 5.018 4.340 0.000 0.000 0.287 14 Q C -0.782 175.449 176.000 0.385 0.000 1.078 14 Q CA -1.006 54.941 55.803 0.239 0.000 0.793 14 Q CB 3.122 32.043 28.738 0.304 0.000 1.459 14 Q HN 0.218 nan 8.270 nan 0.000 0.422 15 A N 0.479 123.485 122.820 0.311 0.000 2.264 15 A HA 0.430 4.750 4.320 0.000 0.000 0.304 15 A C -1.573 176.155 177.584 0.240 0.000 1.100 15 A CA -0.122 52.071 52.037 0.261 0.000 0.839 15 A CB 0.393 19.465 19.000 0.119 0.000 1.121 15 A HN 0.641 nan 8.150 nan 0.000 0.496 16 Y N 2.268 122.472 120.300 -0.161 0.000 2.593 16 Y HA 0.429 4.979 4.550 0.000 0.000 0.331 16 Y C -0.719 174.989 175.900 -0.320 0.000 0.986 16 Y CA -1.408 56.363 58.100 -0.549 0.000 1.262 16 Y CB 0.516 38.509 38.460 -0.779 0.000 1.098 16 Y HN 0.366 nan 8.280 nan 0.000 0.506 17 I N 5.056 125.377 120.570 -0.414 0.000 2.330 17 I HA 0.293 4.463 4.170 0.000 0.000 0.286 17 I C 1.112 176.966 176.117 -0.437 0.000 1.025 17 I CA -0.484 60.623 61.300 -0.322 0.000 1.197 17 I CB 0.590 38.492 38.000 -0.163 0.000 1.358 17 I HN 0.861 nan 8.210 nan 0.000 0.467 18 G N 4.876 113.411 108.800 -0.441 0.000 2.203 18 G HA2 -0.162 3.799 3.960 0.000 0.000 0.263 18 G HA3 -0.162 3.799 3.960 0.000 0.000 0.263 18 G C 0.998 175.591 174.900 -0.512 0.000 1.012 18 G CA 0.656 45.526 45.100 -0.384 0.000 0.749 18 G HN 1.544 nan 8.290 nan 0.000 0.512 19 G N -1.745 106.469 108.800 -0.976 0.000 2.176 19 G HA2 -0.163 3.797 3.960 0.000 0.000 0.232 19 G HA3 -0.163 3.797 3.960 0.000 0.000 0.232 19 G C -0.042 174.368 174.900 -0.816 0.000 0.986 19 G CA 0.782 45.286 45.100 -0.995 0.000 0.643 19 G HN 0.985 nan 8.290 nan 0.000 0.522 20 E N -0.971 118.773 120.200 -0.761 0.000 2.195 20 E HA 0.501 4.851 4.350 0.000 0.000 0.271 20 E C -0.762 175.618 176.600 -0.367 0.000 0.923 20 E CA -1.107 55.067 56.400 -0.376 0.000 0.790 20 E CB 1.015 30.604 29.700 -0.185 0.000 1.155 20 E HN 0.281 nan 8.360 nan 0.000 0.402 21 W N 2.827 124.192 121.300 0.108 0.000 2.416 21 W HA 0.204 4.864 4.660 0.000 0.000 0.318 21 W C 0.231 176.792 176.519 0.070 0.000 1.150 21 W CA -0.312 57.123 57.345 0.151 0.000 1.392 21 W CB 0.523 30.093 29.460 0.183 0.000 1.311 21 W HN 0.236 nan 8.180 nan 0.000 0.436 22 Q N 2.008 121.942 119.800 0.224 0.000 2.351 22 Q HA 0.792 5.132 4.340 0.000 0.000 0.273 22 Q C -0.063 176.011 176.000 0.123 0.000 1.077 22 Q CA -0.987 54.891 55.803 0.125 0.000 0.843 22 Q CB 2.322 31.084 28.738 0.040 0.000 1.367 22 Q HN 0.537 nan 8.270 nan 0.000 0.449 23 A N 0.696 123.565 122.820 0.081 0.000 2.336 23 A HA 0.821 5.141 4.320 0.000 0.000 0.291 23 A C -0.611 176.997 177.584 0.041 0.000 1.266 23 A CA -0.240 51.833 52.037 0.059 0.000 0.891 23 A CB 0.276 19.303 19.000 0.044 0.000 1.366 23 A HN 0.735 nan 8.150 nan 0.000 0.507 24 A N -0.738 122.100 122.820 0.030 0.000 2.354 24 A HA 0.437 4.757 4.320 0.000 0.000 0.269 24 A C 0.288 177.886 177.584 0.024 0.000 1.109 24 A CA -0.195 51.859 52.037 0.028 0.000 0.800 24 A CB -0.072 18.947 19.000 0.031 0.000 1.045 24 A HN 0.682 nan 8.150 nan 0.000 0.489 25 D N 1.016 121.429 120.400 0.021 0.000 2.265 25 D HA -0.123 4.518 4.640 0.000 0.000 0.208 25 D C 1.947 178.257 176.300 0.017 0.000 0.977 25 D CA 2.036 56.045 54.000 0.017 0.000 0.871 25 D CB 0.046 40.853 40.800 0.013 0.000 0.925 25 D HN 0.613 nan 8.370 nan 0.000 0.485 26 S N -1.013 114.700 115.700 0.021 0.000 2.511 26 S HA 0.049 4.519 4.470 0.000 0.000 0.214 26 S C 0.726 175.339 174.600 0.021 0.000 0.997 26 S CA 0.406 58.619 58.200 0.021 0.000 0.908 26 S CB 0.748 63.964 63.200 0.026 0.000 0.803 26 S HN 0.010 nan 8.310 nan 0.000 0.504 27 D N 0.537 120.950 120.400 0.021 0.000 3.077 27 D HA -0.155 4.485 4.640 0.000 0.000 0.212 27 D C 0.171 176.482 176.300 0.019 0.000 1.125 27 D CA 0.848 54.859 54.000 0.017 0.000 0.970 27 D CB -1.579 39.229 40.800 0.013 0.000 1.110 27 D HN 0.819 nan 8.370 nan 0.000 0.419 28 A N 0.087 122.924 122.820 0.030 0.000 2.477 28 A HA 0.532 4.852 4.320 0.000 0.000 0.246 28 A C 0.878 178.481 177.584 0.033 0.000 1.078 28 A CA 0.973 53.036 52.037 0.044 0.000 0.770 28 A CB 0.430 19.468 19.000 0.064 0.000 1.011 28 A HN 0.582 nan 8.150 nan 0.000 0.494 29 T N -0.684 113.889 114.554 0.032 0.000 2.883 29 T HA 0.764 5.114 4.350 0.000 0.000 0.296 29 T C -0.552 174.187 174.700 0.064 0.000 1.117 29 T CA -0.591 61.487 62.100 -0.037 0.000 1.006 29 T CB 1.311 70.134 68.868 -0.074 0.000 1.191 29 T HN 1.146 nan 8.240 nan 0.000 0.508 30 F N -1.118 118.835 119.950 0.004 0.000 2.563 30 F HA 0.806 5.333 4.527 0.000 0.000 0.316 30 F C -0.156 175.625 175.800 -0.032 0.000 1.076 30 F CA -1.393 56.611 58.000 0.005 0.000 0.921 30 F CB 1.342 40.352 39.000 0.016 0.000 1.209 30 F HN 0.726 nan 8.300 nan 0.000 0.462 31 E N 1.640 121.922 120.200 0.137 0.000 2.289 31 E HA 0.453 4.803 4.350 0.000 0.000 0.278 31 E C -1.198 175.295 176.600 -0.179 0.000 1.032 31 E CA -0.617 55.697 56.400 -0.143 0.000 0.854 31 E CB 1.379 30.907 29.700 -0.286 0.000 1.046 31 E HN 0.615 nan 8.360 nan 0.000 0.409 32 V N 5.526 125.277 119.914 -0.271 0.000 2.427 32 V HA 0.334 4.454 4.120 0.000 0.000 0.286 32 V C -0.478 175.451 176.094 -0.276 0.000 1.034 32 V CA -0.410 61.810 62.300 -0.134 0.000 0.893 32 V CB 0.479 32.236 31.823 -0.110 0.000 0.982 32 V HN 0.520 nan 8.190 nan 0.000 0.452 33 F N 1.613 121.609 119.950 0.077 0.000 2.507 33 F HA 0.454 4.981 4.527 0.000 0.000 0.327 33 F C 0.335 176.143 175.800 0.013 0.000 1.068 33 F CA -0.877 57.146 58.000 0.038 0.000 0.965 33 F CB 1.294 40.294 39.000 0.000 0.000 1.192 33 F HN 0.405 nan 8.300 nan 0.000 0.476 34 D N 3.644 124.150 120.400 0.177 0.000 2.325 34 D HA 0.179 4.819 4.640 0.000 0.000 0.251 34 D C -1.611 174.681 176.300 -0.014 0.000 1.196 34 D CA -2.426 51.611 54.000 0.062 0.000 0.866 34 D CB 1.425 42.243 40.800 0.030 0.000 1.101 34 D HN 0.104 nan 8.370 nan 0.000 0.476 35 P HA -0.150 nan 4.420 nan 0.000 0.216 35 P C 0.986 178.144 177.300 -0.237 0.000 1.150 35 P CA 1.071 64.084 63.100 -0.144 0.000 0.837 35 P CB 0.193 31.796 31.700 -0.162 0.000 0.786 36 A N 0.091 122.788 122.820 -0.205 0.000 1.898 36 A HA -0.123 4.197 4.320 0.000 0.000 0.216 36 A C 2.223 179.801 177.584 -0.009 0.000 1.181 36 A CA 2.760 54.728 52.037 -0.116 0.000 0.620 36 A CB -1.574 17.483 19.000 0.094 0.000 0.819 36 A HN 0.403 nan 8.150 nan 0.000 0.442 37 T N -6.044 108.411 114.554 -0.165 0.000 2.978 37 T HA 0.431 4.781 4.350 0.000 0.000 0.248 37 T C 1.498 175.866 174.700 -0.553 0.000 1.018 37 T CA 1.110 63.061 62.100 -0.248 0.000 1.026 37 T CB 0.323 69.173 68.868 -0.030 0.000 1.032 37 T HN 1.724 nan 8.240 nan 0.000 0.485 38 G N 2.445 111.009 108.800 -0.393 0.000 2.179 38 G HA2 -0.262 3.698 3.960 0.000 0.000 0.260 38 G HA3 -0.262 3.698 3.960 0.000 0.000 0.260 38 G C -0.087 174.858 174.900 0.075 0.000 0.977 38 G CA 0.327 45.303 45.100 -0.206 0.000 0.641 38 G HN 1.046 nan 8.290 nan 0.000 0.533 39 E N 0.275 120.517 120.200 0.071 0.000 2.345 39 E HA 0.593 4.943 4.350 0.000 0.000 0.259 39 E C 0.129 176.823 176.600 0.157 0.000 1.117 39 E CA -0.061 56.412 56.400 0.122 0.000 0.913 39 E CB 1.178 30.912 29.700 0.057 0.000 1.057 39 E HN 0.195 nan 8.360 nan 0.000 0.432 40 S N -0.196 115.557 115.700 0.088 0.000 2.565 40 S HA 0.308 4.778 4.470 0.000 0.000 0.276 40 S C 0.345 174.909 174.600 -0.060 0.000 1.326 40 S CA -0.066 58.089 58.200 -0.075 0.000 1.045 40 S CB 0.462 63.607 63.200 -0.092 0.000 0.918 40 S HN 0.601 nan 8.310 nan 0.000 0.505 41 L N 3.034 124.210 121.223 -0.079 0.000 2.965 41 L HA 0.706 5.046 4.340 0.000 0.000 0.254 41 L C 1.141 178.086 176.870 0.125 0.000 1.220 41 L CA 0.313 55.164 54.840 0.018 0.000 1.023 41 L CB -1.349 40.770 42.059 0.100 0.000 1.355 41 L HN 1.347 nan 8.230 nan 0.000 0.545 42 G N -0.520 108.300 108.800 0.032 0.000 2.725 42 G HA2 0.175 4.135 3.960 0.000 0.000 0.220 42 G HA3 0.175 4.135 3.960 0.000 0.000 0.220 42 G C 0.074 175.033 174.900 0.099 0.000 1.357 42 G CA 0.318 45.459 45.100 0.068 0.000 0.866 42 G HN 2.042 nan 8.290 nan 0.000 0.548 43 T N -2.558 112.050 114.554 0.091 0.000 2.940 43 T HA 0.894 5.244 4.350 0.000 0.000 0.288 43 T C 0.312 175.021 174.700 0.015 0.000 1.033 43 T CA 0.144 62.229 62.100 -0.025 0.000 1.033 43 T CB 1.760 70.576 68.868 -0.086 0.000 1.079 43 T HN 2.216 nan 8.240 nan 0.000 0.496 44 V N -1.800 117.928 119.914 -0.310 0.000 3.001 44 V HA 0.785 4.905 4.120 0.000 0.000 0.314 44 V C -3.084 172.748 176.094 -0.438 0.000 1.099 44 V CA -3.313 58.778 62.300 -0.349 0.000 0.989 44 V CB 1.223 32.735 31.823 -0.519 0.000 1.040 44 V HN 0.721 nan 8.190 nan 0.000 0.434 45 P HA 0.191 nan 4.420 nan 0.000 0.268 45 P C -0.913 176.312 177.300 -0.124 0.000 1.208 45 P CA -0.032 62.993 63.100 -0.124 0.000 0.777 45 P CB 0.364 32.053 31.700 -0.017 0.000 0.875 46 K N 3.246 123.657 120.400 0.018 0.000 2.533 46 K HA 0.294 4.614 4.320 0.000 0.000 0.207 46 K C -0.179 176.495 176.600 0.123 0.000 1.052 46 K CA -0.169 56.227 56.287 0.182 0.000 1.030 46 K CB -0.142 32.522 32.500 0.272 0.000 1.522 46 K HN 0.441 nan 8.250 nan 0.000 0.543 47 M N 0.111 119.774 119.600 0.105 0.000 2.219 47 M HA 0.438 4.918 4.480 0.000 0.000 0.280 47 M C 0.887 177.226 176.300 0.066 0.000 1.189 47 M CA -0.428 54.913 55.300 0.069 0.000 1.010 47 M CB 1.130 33.762 32.600 0.052 0.000 1.422 47 M HN 0.545 nan 8.290 nan 0.000 0.504 48 G N -0.869 107.956 108.800 0.043 0.000 3.039 48 G HA2 0.544 4.504 3.960 0.000 0.000 0.202 48 G HA3 0.544 4.504 3.960 0.000 0.000 0.202 48 G C 0.330 175.242 174.900 0.020 0.000 1.151 48 G CA 0.134 45.253 45.100 0.033 0.000 0.836 48 G HN 0.700 nan 8.290 nan 0.000 0.598 49 A N -0.287 122.541 122.820 0.013 0.000 1.908 49 A HA 0.242 4.562 4.320 0.000 0.000 0.218 49 A C 2.678 180.263 177.584 0.001 0.000 1.181 49 A CA 3.146 55.186 52.037 0.005 0.000 0.627 49 A CB -1.038 17.964 19.000 0.003 0.000 0.818 49 A HN 1.510 nan 8.150 nan 0.000 0.445 50 A N -0.365 122.457 122.820 0.003 0.000 1.897 50 A HA -0.053 4.267 4.320 0.000 0.000 0.215 50 A C 1.876 179.456 177.584 -0.006 0.000 1.181 50 A CA 1.757 53.793 52.037 -0.001 0.000 0.620 50 A CB -0.437 18.563 19.000 0.001 0.000 0.821 50 A HN 0.504 nan 8.150 nan 0.000 0.443 51 E N -0.336 119.863 120.200 -0.002 0.000 2.106 51 E HA -0.075 4.275 4.350 0.000 0.000 0.192 51 E C 2.022 178.613 176.600 -0.016 0.000 0.984 51 E CA 1.678 58.072 56.400 -0.009 0.000 0.806 51 E CB -0.539 29.163 29.700 0.002 0.000 0.750 51 E HN 0.564 nan 8.360 nan 0.000 0.458 52 T N 0.549 115.099 114.554 -0.008 0.000 2.777 52 T HA -0.124 4.226 4.350 0.000 0.000 0.266 52 T C 1.998 176.685 174.700 -0.021 0.000 1.040 52 T CA 1.231 63.324 62.100 -0.012 0.000 1.141 52 T CB -0.372 68.496 68.868 -0.001 0.000 0.868 52 T HN 0.282 nan 8.240 nan 0.000 0.444 53 A N 1.979 124.788 122.820 -0.018 0.000 1.908 53 A HA -0.143 4.177 4.320 0.000 0.000 0.218 53 A C 2.403 179.970 177.584 -0.028 0.000 1.181 53 A CA 1.349 53.374 52.037 -0.021 0.000 0.627 53 A CB -0.501 18.491 19.000 -0.015 0.000 0.818 53 A HN 0.369 nan 8.150 nan 0.000 0.445 54 R N -0.665 119.816 120.500 -0.031 0.000 2.083 54 R HA -0.130 4.210 4.340 0.000 0.000 0.237 54 R C 2.543 178.807 176.300 -0.060 0.000 1.137 54 R CA 1.310 57.384 56.100 -0.042 0.000 0.951 54 R CB -0.559 29.715 30.300 -0.044 0.000 0.851 54 R HN 0.529 nan 8.270 nan 0.000 0.434 55 A N 1.378 124.158 122.820 -0.067 0.000 1.883 55 A HA -0.166 4.154 4.320 0.000 0.000 0.217 55 A C 2.184 179.723 177.584 -0.076 0.000 1.186 55 A CA 1.373 53.357 52.037 -0.087 0.000 0.624 55 A CB -0.564 18.388 19.000 -0.081 0.000 0.822 55 A HN 0.203 nan 8.150 nan 0.000 0.444 56 I N -0.848 119.688 120.570 -0.056 0.000 2.335 56 I HA -0.255 3.915 4.170 0.000 0.000 0.251 56 I C 2.484 178.574 176.117 -0.045 0.000 1.129 56 I CA 1.752 63.021 61.300 -0.052 0.000 1.402 56 I CB -0.242 37.734 38.000 -0.040 0.000 1.069 56 I HN 0.385 nan 8.210 nan 0.000 0.424 57 E N 0.751 120.928 120.200 -0.038 0.000 2.107 57 E HA -0.132 4.218 4.350 0.000 0.000 0.191 57 E C 2.235 178.819 176.600 -0.028 0.000 0.982 57 E CA 1.215 57.600 56.400 -0.025 0.000 0.809 57 E CB -0.080 29.605 29.700 -0.024 0.000 0.756 57 E HN 0.455 nan 8.360 nan 0.000 0.459 58 A N 0.380 123.168 122.820 -0.053 0.000 2.014 58 A HA 0.035 4.355 4.320 0.000 0.000 0.218 58 A C 2.257 179.806 177.584 -0.058 0.000 1.163 58 A CA 1.411 53.409 52.037 -0.066 0.000 0.652 58 A CB -0.503 18.430 19.000 -0.112 0.000 0.808 58 A HN 0.327 nan 8.150 nan 0.000 0.449 59 A N -0.720 122.062 122.820 -0.063 0.000 1.897 59 A HA -0.158 4.162 4.320 0.000 0.000 0.215 59 A C 2.173 179.763 177.584 0.011 0.000 1.181 59 A CA 1.598 53.599 52.037 -0.060 0.000 0.620 59 A CB -0.512 18.430 19.000 -0.096 0.000 0.821 59 A HN 0.624 nan 8.150 nan 0.000 0.443 60 Q N -0.402 119.412 119.800 0.024 0.000 1.993 60 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 60 Q C 2.267 178.368 176.000 0.170 0.000 0.984 60 Q CA 1.731 57.599 55.803 0.109 0.000 0.837 60 Q CB -0.373 28.407 28.738 0.070 0.000 0.902 60 Q HN 0.575 nan 8.270 nan 0.000 0.423 61 A N 0.686 123.560 122.820 0.091 0.000 1.948 61 A HA -0.181 4.139 4.320 0.000 0.000 0.220 61 A C 2.165 179.807 177.584 0.097 0.000 1.177 61 A CA 1.929 54.012 52.037 0.077 0.000 0.636 61 A CB -0.868 18.151 19.000 0.030 0.000 0.815 61 A HN 0.563 nan 8.150 nan 0.000 0.449 62 A N -2.501 120.378 122.820 0.098 0.000 2.167 62 A HA 0.053 4.373 4.320 0.000 0.000 0.214 62 A C 1.731 179.461 177.584 0.244 0.000 1.151 62 A CA 1.071 53.175 52.037 0.111 0.000 0.735 62 A CB -0.613 18.401 19.000 0.024 0.000 0.802 62 A HN 0.798 nan 8.150 nan 0.000 0.467 63 W N 1.096 122.433 121.300 0.061 0.000 2.378 63 W HA -0.120 4.540 4.660 0.000 0.000 0.313 63 W C 2.374 178.975 176.519 0.135 0.000 1.197 63 W CA 1.498 58.913 57.345 0.116 0.000 1.304 63 W CB -0.760 28.748 29.460 0.081 0.000 1.148 63 W HN 0.346 nan 8.180 nan 0.000 0.494 64 A N 0.806 123.636 122.820 0.017 0.000 1.884 64 A HA -0.180 4.140 4.320 0.000 0.000 0.219 64 A C 2.323 179.869 177.584 -0.062 0.000 1.197 64 A CA 2.840 54.783 52.037 -0.157 0.000 0.637 64 A CB -1.698 17.250 19.000 -0.088 0.000 0.827 64 A HN 0.434 nan 8.150 nan 0.000 0.450 65 G N -2.105 106.725 108.800 0.050 0.000 2.418 65 G HA2 -0.287 3.673 3.960 0.000 0.000 0.217 65 G HA3 -0.287 3.673 3.960 0.000 0.000 0.217 65 G C 1.543 176.525 174.900 0.137 0.000 1.158 65 G CA 0.919 46.066 45.100 0.079 0.000 0.771 65 G HN 0.711 nan 8.290 nan 0.000 0.545 66 W N 2.464 123.774 121.300 0.018 0.000 2.476 66 W HA -0.036 4.624 4.660 0.000 0.000 0.281 66 W C 2.634 179.176 176.519 0.039 0.000 1.230 66 W CA 0.980 58.356 57.345 0.053 0.000 1.287 66 W CB 0.120 29.654 29.460 0.123 0.000 1.108 66 W HN 0.340 nan 8.180 nan 0.000 0.567 67 R N -0.054 120.441 120.500 -0.009 0.000 2.193 67 R HA -0.065 4.275 4.340 0.000 0.000 0.213 67 R C 2.045 178.227 176.300 -0.197 0.000 1.055 67 R CA 1.064 57.072 56.100 -0.154 0.000 0.995 67 R CB -0.893 29.234 30.300 -0.288 0.000 0.893 67 R HN 0.166 nan 8.270 nan 0.000 0.459 68 M N 1.347 120.845 119.600 -0.170 0.000 2.132 68 M HA -0.011 4.469 4.480 0.000 0.000 0.263 68 M C 0.442 176.648 176.300 -0.156 0.000 1.065 68 M CA 1.263 56.477 55.300 -0.143 0.000 1.122 68 M CB 0.004 32.542 32.600 -0.103 0.000 1.365 68 M HN 0.055 nan 8.290 nan 0.000 0.411 69 K N 1.536 121.812 120.400 -0.207 0.000 2.559 69 K HA -0.045 4.275 4.320 0.000 0.000 0.279 69 K C 0.473 176.939 176.600 -0.222 0.000 0.967 69 K CA 0.285 56.431 56.287 -0.235 0.000 1.000 69 K CB 0.089 32.361 32.500 -0.379 0.000 0.890 69 K HN 0.310 nan 8.250 nan 0.000 0.501 70 T N -0.835 113.622 114.554 -0.162 0.000 2.802 70 T HA 0.163 4.513 4.350 0.000 0.000 0.305 70 T C 1.381 175.989 174.700 -0.153 0.000 1.053 70 T CA -0.236 61.786 62.100 -0.130 0.000 1.058 70 T CB 1.316 70.131 68.868 -0.088 0.000 0.988 70 T HN 0.562 nan 8.240 nan 0.000 0.539 71 A N 1.059 123.812 122.820 -0.113 0.000 1.972 71 A HA -0.063 4.257 4.320 0.000 0.000 0.219 71 A C 2.402 179.940 177.584 -0.077 0.000 1.169 71 A CA 1.694 53.674 52.037 -0.095 0.000 0.635 71 A CB -0.855 18.111 19.000 -0.056 0.000 0.810 71 A HN 0.954 nan 8.150 nan 0.000 0.446 72 K N -0.333 120.027 120.400 -0.067 0.000 2.026 72 K HA -0.189 4.131 4.320 0.000 0.000 0.208 72 K C 1.965 178.537 176.600 -0.046 0.000 1.048 72 K CA 1.744 58.002 56.287 -0.049 0.000 0.929 72 K CB -0.171 32.303 32.500 -0.043 0.000 0.713 72 K HN 0.655 nan 8.250 nan 0.000 0.439 73 E N -0.091 120.064 120.200 -0.074 0.000 2.077 73 E HA -0.181 4.169 4.350 0.000 0.000 0.193 73 E C 2.161 178.714 176.600 -0.077 0.000 0.989 73 E CA 1.114 57.470 56.400 -0.073 0.000 0.800 73 E CB 0.051 29.689 29.700 -0.103 0.000 0.746 73 E HN 0.248 nan 8.360 nan 0.000 0.452 74 R N 0.313 120.716 120.500 -0.160 0.000 2.092 74 R HA -0.060 4.280 4.340 0.000 0.000 0.231 74 R C 2.361 178.701 176.300 0.067 0.000 1.119 74 R CA 0.979 56.995 56.100 -0.140 0.000 0.970 74 R CB -0.273 29.837 30.300 -0.316 0.000 0.864 74 R HN 0.093 nan 8.270 nan 0.000 0.440 75 A N 1.332 124.171 122.820 0.032 0.000 1.972 75 A HA -0.110 4.210 4.320 0.000 0.000 0.219 75 A C 2.323 179.962 177.584 0.092 0.000 1.169 75 A CA 1.656 53.731 52.037 0.063 0.000 0.635 75 A CB -0.446 18.560 19.000 0.010 0.000 0.810 75 A HN 0.400 nan 8.150 nan 0.000 0.446 76 A N 0.190 123.057 122.820 0.078 0.000 1.854 76 A HA -0.028 4.293 4.320 0.000 0.000 0.214 76 A C 2.078 179.750 177.584 0.147 0.000 1.192 76 A CA 1.381 53.474 52.037 0.094 0.000 0.611 76 A CB -0.639 18.398 19.000 0.062 0.000 0.832 76 A HN 0.461 nan 8.150 nan 0.000 0.442 77 I N -0.259 120.411 120.570 0.166 0.000 2.151 77 I HA -0.311 3.859 4.170 0.000 0.000 0.243 77 I C 2.416 178.706 176.117 0.289 0.000 1.080 77 I CA 1.406 62.837 61.300 0.219 0.000 1.339 77 I CB -0.409 37.764 38.000 0.289 0.000 1.039 77 I HN 0.278 nan 8.210 nan 0.000 0.409 78 L N -0.115 121.304 121.223 0.327 0.000 2.093 78 L HA -0.171 4.169 4.340 0.000 0.000 0.208 78 L C 2.719 179.825 176.870 0.393 0.000 1.085 78 L CA 1.268 56.361 54.840 0.423 0.000 0.755 78 L CB -0.435 41.850 42.059 0.376 0.000 0.904 78 L HN 0.118 nan 8.230 nan 0.000 0.435 79 R N -0.408 120.262 120.500 0.282 0.000 2.115 79 R HA -0.059 4.281 4.340 0.000 0.000 0.226 79 R C 2.440 178.954 176.300 0.356 0.000 1.100 79 R CA 0.853 57.132 56.100 0.298 0.000 0.980 79 R CB 0.040 30.448 30.300 0.179 0.000 0.875 79 R HN 0.247 nan 8.270 nan 0.000 0.445 80 R N -1.055 119.613 120.500 0.280 0.000 2.092 80 R HA -0.169 4.171 4.340 0.000 0.000 0.231 80 R C 1.797 178.271 176.300 0.290 0.000 1.119 80 R CA 1.259 57.498 56.100 0.232 0.000 0.970 80 R CB -0.316 30.087 30.300 0.173 0.000 0.864 80 R HN 0.311 nan 8.270 nan 0.000 0.440 81 W N 1.357 122.735 121.300 0.130 0.000 2.358 81 W HA -0.218 4.442 4.660 0.000 0.000 0.303 81 W C 1.885 178.486 176.519 0.137 0.000 1.208 81 W CA 0.781 58.194 57.345 0.113 0.000 1.274 81 W CB -0.864 28.669 29.460 0.122 0.000 1.138 81 W HN -0.004 nan 8.180 nan 0.000 0.515 82 F N 2.068 122.069 119.950 0.085 0.000 2.065 82 F HA -0.283 4.244 4.527 0.000 0.000 0.298 82 F C 2.059 177.856 175.800 -0.004 0.000 1.112 82 F CA 2.699 60.666 58.000 -0.054 0.000 1.212 82 F CB -0.870 38.129 39.000 -0.000 0.000 0.975 82 F HN -0.235 nan 8.300 nan 0.000 0.476 83 D N 0.794 121.048 120.400 -0.244 0.000 2.117 83 D HA -0.176 4.464 4.640 0.000 0.000 0.197 83 D C 2.452 178.633 176.300 -0.199 0.000 0.987 83 D CA 1.606 55.410 54.000 -0.328 0.000 0.829 83 D CB -0.559 40.215 40.800 -0.043 0.000 0.961 83 D HN 0.377 nan 8.370 nan 0.000 0.460 84 L N 0.278 121.477 121.223 -0.040 0.000 2.201 84 L HA -0.123 4.217 4.340 0.000 0.000 0.212 84 L C 2.430 179.293 176.870 -0.012 0.000 1.105 84 L CA 0.343 55.197 54.840 0.024 0.000 0.775 84 L CB -0.035 42.109 42.059 0.142 0.000 0.913 84 L HN -0.063 nan 8.230 nan 0.000 0.440 85 V N -0.401 119.457 119.914 -0.093 0.000 2.302 85 V HA -0.239 3.881 4.120 0.000 0.000 0.243 85 V C 2.369 178.378 176.094 -0.141 0.000 1.036 85 V CA 1.176 63.410 62.300 -0.110 0.000 1.020 85 V CB -0.213 31.498 31.823 -0.187 0.000 0.657 85 V HN 0.221 nan 8.190 nan 0.000 0.453 86 I N 0.923 121.330 120.570 -0.273 0.000 2.151 86 I HA -0.302 3.868 4.170 0.000 0.000 0.243 86 I C 2.689 178.723 176.117 -0.138 0.000 1.080 86 I CA 2.238 63.392 61.300 -0.244 0.000 1.339 86 I CB -1.574 36.171 38.000 -0.425 0.000 1.039 86 I HN 0.337 nan 8.210 nan 0.000 0.409 87 A N 0.500 123.245 122.820 -0.125 0.000 1.933 87 A HA -0.149 4.171 4.320 0.000 0.000 0.218 87 A C 1.754 179.319 177.584 -0.032 0.000 1.175 87 A CA 1.431 53.430 52.037 -0.063 0.000 0.628 87 A CB -0.499 18.474 19.000 -0.044 0.000 0.814 87 A HN 0.492 nan 8.150 nan 0.000 0.444 88 N N -0.297 118.389 118.700 -0.023 0.000 2.320 88 N HA 0.069 4.809 4.740 0.000 0.000 0.237 88 N C 1.117 176.624 175.510 -0.005 0.000 1.129 88 N CA 0.564 53.614 53.050 0.000 0.000 0.854 88 N CB 0.559 39.065 38.487 0.032 0.000 1.083 88 N HN 0.420 nan 8.380 nan 0.000 0.504 89 S N 1.640 117.329 115.700 -0.019 0.000 2.359 89 S HA -0.167 4.303 4.470 0.000 0.000 0.223 89 S C 1.321 175.918 174.600 -0.006 0.000 1.039 89 S CA 1.426 59.618 58.200 -0.014 0.000 1.042 89 S CB 0.080 63.268 63.200 -0.019 0.000 0.915 89 S HN 0.256 nan 8.310 nan 0.000 0.439 90 D N 1.152 121.548 120.400 -0.008 0.000 2.104 90 D HA -0.099 4.542 4.640 0.000 0.000 0.194 90 D C 1.738 178.031 176.300 -0.011 0.000 0.994 90 D CA 1.364 55.360 54.000 -0.007 0.000 0.830 90 D CB -0.778 40.017 40.800 -0.008 0.000 0.959 90 D HN 0.426 nan 8.370 nan 0.000 0.452 91 D N 0.466 120.859 120.400 -0.013 0.000 2.104 91 D HA -0.101 4.539 4.640 0.000 0.000 0.194 91 D C 2.425 178.713 176.300 -0.019 0.000 0.994 91 D CA 0.374 54.361 54.000 -0.022 0.000 0.830 91 D CB -0.478 40.308 40.800 -0.023 0.000 0.959 91 D HN 0.193 nan 8.370 nan 0.000 0.452 92 L N 0.577 121.798 121.223 -0.003 0.000 2.012 92 L HA -0.217 4.123 4.340 0.000 0.000 0.210 92 L C 2.489 179.363 176.870 0.006 0.000 1.073 92 L CA 1.401 56.247 54.840 0.009 0.000 0.748 92 L CB -0.445 41.627 42.059 0.021 0.000 0.891 92 L HN 0.007 nan 8.230 nan 0.000 0.431 93 A N -0.531 122.290 122.820 0.002 0.000 1.972 93 A HA -0.204 4.116 4.320 0.000 0.000 0.219 93 A C 2.145 179.726 177.584 -0.004 0.000 1.169 93 A CA 1.426 53.462 52.037 -0.001 0.000 0.635 93 A CB -0.544 18.456 19.000 -0.000 0.000 0.810 93 A HN 0.338 nan 8.150 nan 0.000 0.446 94 L N -0.122 121.094 121.223 -0.011 0.000 2.109 94 L HA -0.015 4.325 4.340 0.000 0.000 0.207 94 L C 2.136 178.992 176.870 -0.024 0.000 1.086 94 L CA 1.415 56.245 54.840 -0.017 0.000 0.760 94 L CB -0.459 41.584 42.059 -0.025 0.000 0.910 94 L HN 0.427 nan 8.230 nan 0.000 0.437 95 I N -1.213 119.338 120.570 -0.031 0.000 2.142 95 I HA -0.341 3.829 4.170 0.000 0.000 0.240 95 I C 2.448 178.577 176.117 0.020 0.000 1.078 95 I CA 1.445 62.724 61.300 -0.035 0.000 1.343 95 I CB -0.376 37.601 38.000 -0.038 0.000 1.046 95 I HN 0.276 nan 8.210 nan 0.000 0.405 96 L N 0.303 121.542 121.223 0.027 0.000 1.951 96 L HA -0.327 4.013 4.340 0.000 0.000 0.222 96 L C 2.698 179.585 176.870 0.029 0.000 1.078 96 L CA 2.267 57.127 54.840 0.034 0.000 0.778 96 L CB -0.573 41.489 42.059 0.005 0.000 0.893 96 L HN 0.255 nan 8.230 nan 0.000 0.436 97 T N -1.141 113.420 114.554 0.012 0.000 2.653 97 T HA -0.254 4.096 4.350 0.000 0.000 0.268 97 T C 1.660 176.374 174.700 0.024 0.000 1.035 97 T CA 2.156 64.265 62.100 0.016 0.000 1.154 97 T CB -0.534 68.342 68.868 0.013 0.000 0.862 97 T HN 0.501 nan 8.240 nan 0.000 0.441 98 T N 1.922 116.489 114.554 0.021 0.000 2.867 98 T HA -0.105 4.245 4.350 0.000 0.000 0.268 98 T C 2.020 176.752 174.700 0.055 0.000 1.057 98 T CA 1.543 63.657 62.100 0.023 0.000 1.136 98 T CB -0.215 68.649 68.868 -0.007 0.000 0.874 98 T HN 0.793 nan 8.240 nan 0.000 0.466 99 E N 0.272 120.526 120.200 0.091 0.000 2.166 99 E HA 0.038 4.388 4.350 0.000 0.000 0.192 99 E C 2.282 178.934 176.600 0.086 0.000 0.967 99 E CA 0.246 56.728 56.400 0.135 0.000 0.840 99 E CB -0.139 29.710 29.700 0.248 0.000 0.795 99 E HN 0.200 nan 8.360 nan 0.000 0.470 100 Q N 0.307 120.151 119.800 0.074 0.000 2.259 100 Q HA 0.053 4.393 4.340 0.000 0.000 0.201 100 Q C 1.321 177.343 176.000 0.036 0.000 0.938 100 Q CA 1.563 57.411 55.803 0.075 0.000 0.872 100 Q CB 0.903 29.694 28.738 0.090 0.000 0.971 100 Q HN 0.511 nan 8.270 nan 0.000 0.494 101 G N 1.518 110.328 108.800 0.017 0.000 2.313 101 G HA2 -0.283 3.677 3.960 0.000 0.000 0.215 101 G HA3 -0.283 3.677 3.960 0.000 0.000 0.215 101 G C 0.069 174.979 174.900 0.017 0.000 1.023 101 G CA 0.192 45.286 45.100 -0.010 0.000 0.626 101 G HN 0.436 nan 8.290 nan 0.000 0.503 102 K N 2.492 122.907 120.400 0.026 0.000 2.485 102 K HA 0.391 4.711 4.320 0.000 0.000 0.277 102 K C -2.131 174.485 176.600 0.027 0.000 0.990 102 K CA -0.483 55.821 56.287 0.028 0.000 0.994 102 K CB 0.538 33.033 32.500 -0.008 0.000 0.906 102 K HN 0.244 nan 8.250 nan 0.000 0.488 103 P HA -0.116 nan 4.420 nan 0.000 0.268 103 P C 0.906 178.218 177.300 0.021 0.000 1.208 103 P CA -0.101 63.023 63.100 0.041 0.000 0.777 103 P CB 0.562 32.290 31.700 0.046 0.000 0.875 104 L N 1.487 122.723 121.223 0.020 0.000 2.081 104 L HA -0.273 4.067 4.340 0.000 0.000 0.212 104 L C 2.479 179.354 176.870 0.009 0.000 1.080 104 L CA 2.326 57.173 54.840 0.011 0.000 0.754 104 L CB -0.951 41.114 42.059 0.011 0.000 0.893 104 L HN 0.440 nan 8.230 nan 0.000 0.433 105 A N -0.425 122.403 122.820 0.013 0.000 1.902 105 A HA -0.236 4.084 4.320 0.000 0.000 0.217 105 A C 2.111 179.702 177.584 0.011 0.000 1.181 105 A CA 1.689 53.735 52.037 0.014 0.000 0.623 105 A CB -0.407 18.604 19.000 0.018 0.000 0.818 105 A HN 0.463 nan 8.150 nan 0.000 0.443 106 E N -0.464 119.740 120.200 0.007 0.000 2.072 106 E HA -0.064 4.286 4.350 0.000 0.000 0.191 106 E C 2.371 178.944 176.600 -0.044 0.000 0.985 106 E CA 0.773 57.168 56.400 -0.008 0.000 0.801 106 E CB -0.260 29.438 29.700 -0.004 0.000 0.750 106 E HN 0.608 nan 8.360 nan 0.000 0.452 107 A N 1.791 124.586 122.820 -0.041 0.000 1.883 107 A HA -0.249 4.071 4.320 0.000 0.000 0.217 107 A C 1.988 179.562 177.584 -0.016 0.000 1.186 107 A CA 1.639 53.647 52.037 -0.048 0.000 0.624 107 A CB -0.342 18.642 19.000 -0.027 0.000 0.822 107 A HN 0.046 nan 8.150 nan 0.000 0.444 108 K N -0.854 119.547 120.400 0.001 0.000 2.057 108 K HA -0.103 4.217 4.320 0.000 0.000 0.207 108 K C 2.133 178.755 176.600 0.036 0.000 1.049 108 K CA 1.082 57.378 56.287 0.017 0.000 0.931 108 K CB -0.524 31.985 32.500 0.015 0.000 0.714 108 K HN 0.483 nan 8.250 nan 0.000 0.440 109 G N 1.218 110.037 108.800 0.033 0.000 2.469 109 G HA2 -0.337 3.623 3.960 0.000 0.000 0.219 109 G HA3 -0.337 3.623 3.960 0.000 0.000 0.219 109 G C 1.360 176.327 174.900 0.112 0.000 1.150 109 G CA 1.045 46.177 45.100 0.054 0.000 0.763 109 G HN 0.400 nan 8.290 nan 0.000 0.561 110 E N -0.231 120.020 120.200 0.085 0.000 2.106 110 E HA -0.083 4.267 4.350 0.000 0.000 0.192 110 E C 2.514 179.240 176.600 0.211 0.000 0.984 110 E CA 0.408 56.917 56.400 0.182 0.000 0.806 110 E CB -0.052 29.609 29.700 -0.065 0.000 0.750 110 E HN 0.330 nan 8.360 nan 0.000 0.458 111 I N 1.250 121.884 120.570 0.107 0.000 2.179 111 I HA -0.220 3.950 4.170 0.000 0.000 0.242 111 I C 2.589 178.768 176.117 0.103 0.000 1.088 111 I CA 1.298 62.646 61.300 0.080 0.000 1.357 111 I CB -1.520 36.502 38.000 0.035 0.000 1.051 111 I HN 0.123 nan 8.210 nan 0.000 0.409 112 A N 0.021 122.911 122.820 0.116 0.000 1.940 112 A HA -0.291 4.029 4.320 0.000 0.000 0.219 112 A C 2.349 180.051 177.584 0.196 0.000 1.176 112 A CA 1.612 53.727 52.037 0.130 0.000 0.631 112 A CB -1.106 17.960 19.000 0.110 0.000 0.814 112 A HN 0.488 nan 8.150 nan 0.000 0.446 113 Y N 0.632 120.986 120.300 0.091 0.000 2.181 113 Y HA -0.056 4.494 4.550 0.000 0.000 0.288 113 Y C 2.640 178.667 175.900 0.213 0.000 1.146 113 Y CA 1.007 59.180 58.100 0.121 0.000 1.164 113 Y CB -0.762 37.812 38.460 0.191 0.000 0.982 113 Y HN 0.302 nan 8.280 nan 0.000 0.515 114 A N 0.555 123.467 122.820 0.153 0.000 1.877 114 A HA -0.081 4.239 4.320 0.000 0.000 0.216 114 A C 2.481 180.112 177.584 0.079 0.000 1.186 114 A CA 1.986 54.072 52.037 0.082 0.000 0.620 114 A CB -1.539 17.487 19.000 0.044 0.000 0.822 114 A HN 0.583 nan 8.150 nan 0.000 0.443 115 A N 0.471 123.343 122.820 0.087 0.000 1.948 115 A HA -0.156 4.164 4.320 0.000 0.000 0.220 115 A C 2.494 180.232 177.584 0.257 0.000 1.177 115 A CA 2.546 54.689 52.037 0.177 0.000 0.636 115 A CB -1.008 18.096 19.000 0.174 0.000 0.815 115 A HN 1.034 nan 8.150 nan 0.000 0.449 116 S N -1.241 114.530 115.700 0.117 0.000 2.402 116 S HA -0.094 4.376 4.470 0.000 0.000 0.229 116 S C 1.684 176.220 174.600 -0.106 0.000 1.021 116 S CA 1.281 59.461 58.200 -0.033 0.000 0.974 116 S CB -0.734 62.387 63.200 -0.132 0.000 0.800 116 S HN 0.366 nan 8.310 nan 0.000 0.484 117 F N 1.989 121.932 119.950 -0.012 0.000 2.186 117 F HA 0.197 4.724 4.527 0.000 0.000 0.299 117 F C 2.175 178.092 175.800 0.195 0.000 1.090 117 F CA 0.571 58.618 58.000 0.079 0.000 1.307 117 F CB -0.506 38.510 39.000 0.027 0.000 1.019 117 F HN 0.172 nan 8.300 nan 0.000 0.489 118 I N -0.281 120.428 120.570 0.232 0.000 2.202 118 I HA -0.271 3.899 4.170 0.000 0.000 0.242 118 I C 2.479 178.656 176.117 0.100 0.000 1.091 118 I CA 1.660 63.042 61.300 0.137 0.000 1.368 118 I CB -0.666 37.278 38.000 -0.094 0.000 1.058 118 I HN 0.146 nan 8.210 nan 0.000 0.410 119 E N 1.056 121.208 120.200 -0.080 0.000 2.058 119 E HA -0.283 4.067 4.350 0.000 0.000 0.194 119 E C 2.192 178.701 176.600 -0.151 0.000 0.997 119 E CA 1.644 57.825 56.400 -0.365 0.000 0.801 119 E CB -0.260 28.948 29.700 -0.819 0.000 0.746 119 E HN 0.600 nan 8.360 nan 0.000 0.450 120 W N 0.263 121.421 121.300 -0.236 0.000 2.353 120 W HA -0.234 4.426 4.660 0.000 0.000 0.319 120 W C 1.626 177.991 176.519 -0.257 0.000 1.207 120 W CA 1.240 58.403 57.345 -0.304 0.000 1.291 120 W CB -0.502 28.679 29.460 -0.465 0.000 1.159 120 W HN 0.125 nan 8.180 nan 0.000 0.478 121 F N 0.977 121.014 119.950 0.145 0.000 2.325 121 F HA -0.035 4.492 4.527 0.000 0.000 0.299 121 F C 2.673 178.468 175.800 -0.008 0.000 1.090 121 F CA 1.558 59.601 58.000 0.071 0.000 1.392 121 F CB -1.357 37.744 39.000 0.168 0.000 1.053 121 F HN -0.111 nan 8.300 nan 0.000 0.521 122 A N 0.365 123.272 122.820 0.144 0.000 1.892 122 A HA -0.259 4.061 4.320 0.000 0.000 0.218 122 A C 2.132 179.690 177.584 -0.044 0.000 1.188 122 A CA 2.163 54.242 52.037 0.070 0.000 0.631 122 A CB -0.814 18.213 19.000 0.045 0.000 0.822 122 A HN 0.446 nan 8.150 nan 0.000 0.447 123 E N -0.751 119.342 120.200 -0.179 0.000 2.150 123 E HA -0.135 4.215 4.350 0.000 0.000 0.193 123 E C 1.949 178.373 176.600 -0.292 0.000 0.985 123 E CA 0.879 57.114 56.400 -0.276 0.000 0.814 123 E CB -0.082 29.359 29.700 -0.432 0.000 0.752 123 E HN 0.521 nan 8.360 nan 0.000 0.466 124 E N 0.242 120.249 120.200 -0.321 0.000 2.152 124 E HA -0.089 4.261 4.350 0.000 0.000 0.192 124 E C 2.186 178.778 176.600 -0.014 0.000 0.983 124 E CA 0.806 57.085 56.400 -0.202 0.000 0.818 124 E CB -0.258 29.363 29.700 -0.130 0.000 0.758 124 E HN 0.345 nan 8.360 nan 0.000 0.467 125 G N 1.541 110.362 108.800 0.036 0.000 2.450 125 G HA2 -0.261 3.699 3.960 0.000 0.000 0.220 125 G HA3 -0.261 3.699 3.960 0.000 0.000 0.220 125 G C 1.535 176.439 174.900 0.007 0.000 1.130 125 G CA 0.497 45.630 45.100 0.055 0.000 0.760 125 G HN 0.228 nan 8.290 nan 0.000 0.557 126 K N -0.277 120.104 120.400 -0.033 0.000 2.432 126 K HA 0.092 4.412 4.320 0.000 0.000 0.196 126 K C 1.903 178.476 176.600 -0.045 0.000 1.038 126 K CA 0.309 56.568 56.287 -0.046 0.000 0.986 126 K CB 0.142 32.602 32.500 -0.067 0.000 0.782 126 K HN 0.176 nan 8.250 nan 0.000 0.485 127 R N 0.499 120.973 120.500 -0.043 0.000 2.508 127 R HA 0.130 4.470 4.340 0.000 0.000 0.300 127 R C -0.392 175.905 176.300 -0.005 0.000 0.970 127 R CA -0.160 55.914 56.100 -0.043 0.000 1.102 127 R CB 1.000 31.250 30.300 -0.083 0.000 1.246 127 R HN -0.134 nan 8.270 nan 0.000 0.539 128 V N 2.383 122.311 119.914 0.023 0.000 2.416 128 V HA 0.099 4.219 4.120 0.000 0.000 0.267 128 V C 0.543 176.662 176.094 0.041 0.000 1.007 128 V CA -0.038 62.295 62.300 0.055 0.000 1.102 128 V CB 0.061 31.932 31.823 0.079 0.000 1.035 128 V HN 0.202 nan 8.190 nan 0.000 0.473 129 A N 4.593 127.437 122.820 0.039 0.000 2.312 129 A HA 0.905 5.225 4.320 0.000 0.000 0.328 129 A C 0.559 178.169 177.584 0.042 0.000 1.158 129 A CA 0.124 52.178 52.037 0.028 0.000 0.821 129 A CB 1.398 20.404 19.000 0.010 0.000 1.170 129 A HN 0.832 nan 8.150 nan 0.000 0.490 130 G N -0.237 108.586 108.800 0.038 0.000 2.971 130 G HA2 0.589 4.549 3.960 0.000 0.000 0.235 130 G HA3 0.589 4.549 3.960 0.000 0.000 0.235 130 G C -1.359 173.566 174.900 0.040 0.000 1.351 130 G CA -0.464 44.664 45.100 0.047 0.000 1.039 130 G HN 0.642 nan 8.290 nan 0.000 0.563 131 D N -0.796 119.633 120.400 0.049 0.000 2.457 131 D HA 0.541 5.181 4.640 0.000 0.000 0.240 131 D C -0.405 175.923 176.300 0.048 0.000 1.041 131 D CA -0.287 53.739 54.000 0.044 0.000 0.861 131 D CB 2.004 42.831 40.800 0.045 0.000 1.394 131 D HN 0.459 nan 8.370 nan 0.000 0.473 132 T N -0.235 114.341 114.554 0.037 0.000 2.912 132 T HA 0.593 4.943 4.350 0.000 0.000 0.326 132 T C -0.559 174.162 174.700 0.035 0.000 1.080 132 T CA -0.756 61.367 62.100 0.038 0.000 1.000 132 T CB -0.162 68.722 68.868 0.026 0.000 1.008 132 T HN 0.169 nan 8.240 nan 0.000 0.473 133 L N 4.131 125.381 121.223 0.045 0.000 2.309 133 L HA 0.518 4.858 4.340 0.000 0.000 0.282 133 L C -2.120 174.770 176.870 0.033 0.000 1.036 133 L CA -2.633 52.228 54.840 0.034 0.000 0.806 133 L CB 1.323 43.401 42.059 0.031 0.000 1.220 133 L HN 0.384 nan 8.230 nan 0.000 0.429 134 P HA -0.048 nan 4.420 nan 0.000 0.261 134 P C -0.186 177.128 177.300 0.024 0.000 1.183 134 P CA 0.157 63.270 63.100 0.020 0.000 0.761 134 P CB 0.379 32.087 31.700 0.013 0.000 0.785 135 T N 4.351 118.922 114.554 0.029 0.000 2.919 135 T HA 0.211 4.561 4.350 0.000 0.000 0.302 135 T C -0.849 173.866 174.700 0.026 0.000 1.031 135 T CA -1.343 60.779 62.100 0.036 0.000 1.127 135 T CB 0.094 68.986 68.868 0.040 0.000 0.952 135 T HN 0.315 nan 8.240 nan 0.000 0.540 136 P HA 0.190 nan 4.420 nan 0.000 0.226 136 P C -0.124 177.189 177.300 0.021 0.000 1.161 136 P CA 0.414 63.525 63.100 0.019 0.000 0.804 136 P CB 0.218 31.928 31.700 0.016 0.000 0.829 137 D N -0.950 119.468 120.400 0.029 0.000 2.217 137 D HA 0.480 5.120 4.640 0.000 0.000 0.243 137 D C 1.028 177.342 176.300 0.023 0.000 1.054 137 D CA -0.467 53.549 54.000 0.026 0.000 0.838 137 D CB 1.535 42.354 40.800 0.032 0.000 1.162 137 D HN -0.119 nan 8.370 nan 0.000 0.472 138 A N 3.663 126.494 122.820 0.017 0.000 2.067 138 A HA -0.098 4.222 4.320 0.000 0.000 0.219 138 A C 1.340 178.932 177.584 0.013 0.000 1.158 138 A CA 0.829 52.874 52.037 0.014 0.000 0.661 138 A CB -0.078 18.928 19.000 0.010 0.000 0.801 138 A HN 0.596 nan 8.150 nan 0.000 0.452 139 N N -0.112 118.596 118.700 0.014 0.000 2.251 139 N HA 0.172 4.912 4.740 0.000 0.000 0.217 139 N C -0.679 174.838 175.510 0.012 0.000 1.124 139 N CA 0.348 53.404 53.050 0.011 0.000 0.843 139 N CB 0.461 38.953 38.487 0.008 0.000 1.024 139 N HN 0.461 nan 8.380 nan 0.000 0.501 140 K N 0.014 120.425 120.400 0.018 0.000 2.527 140 K HA 0.469 4.789 4.320 0.000 0.000 0.260 140 K C -0.928 175.690 176.600 0.030 0.000 0.937 140 K CA -0.656 55.644 56.287 0.022 0.000 0.826 140 K CB 2.151 34.671 32.500 0.033 0.000 1.359 140 K HN -0.206 nan 8.250 nan 0.000 0.434 141 R N 1.226 121.742 120.500 0.027 0.000 2.740 141 R HA 0.564 4.904 4.340 0.000 0.000 0.282 141 R C -1.015 175.319 176.300 0.058 0.000 0.969 141 R CA -0.496 55.625 56.100 0.035 0.000 0.918 141 R CB 1.180 31.491 30.300 0.017 0.000 1.175 141 R HN 0.504 nan 8.270 nan 0.000 0.464 142 I N 2.951 123.575 120.570 0.089 0.000 2.355 142 I HA 0.387 4.557 4.170 0.000 0.000 0.288 142 I C -0.840 175.352 176.117 0.125 0.000 0.999 142 I CA -0.844 60.555 61.300 0.166 0.000 1.163 142 I CB 1.596 39.721 38.000 0.208 0.000 1.316 142 I HN 0.143 nan 8.210 nan 0.000 0.454 143 V N 7.089 127.074 119.914 0.118 0.000 2.487 143 V HA 0.452 4.572 4.120 0.000 0.000 0.298 143 V C -0.241 175.928 176.094 0.125 0.000 1.028 143 V CA -0.748 61.601 62.300 0.083 0.000 0.860 143 V CB 2.155 33.995 31.823 0.028 0.000 0.991 143 V HN 0.349 nan 8.190 nan 0.000 0.427 144 V N 5.543 125.525 119.914 0.114 0.000 2.378 144 V HA 0.606 4.726 4.120 0.000 0.000 0.288 144 V C -0.193 175.949 176.094 0.079 0.000 1.016 144 V CA -0.521 61.853 62.300 0.122 0.000 0.840 144 V CB 1.884 33.775 31.823 0.114 0.000 0.994 144 V HN 0.781 nan 8.190 nan 0.000 0.431 145 V N 2.537 122.496 119.914 0.074 0.000 2.864 145 V HA 0.719 4.839 4.120 0.000 0.000 0.314 145 V C -0.514 175.621 176.094 0.068 0.000 1.073 145 V CA -1.038 61.297 62.300 0.057 0.000 0.956 145 V CB 1.985 33.831 31.823 0.038 0.000 1.023 145 V HN 0.742 nan 8.190 nan 0.000 0.435 146 K N 2.025 122.465 120.400 0.066 0.000 2.203 146 K HA 0.743 5.063 4.320 0.000 0.000 0.251 146 K C -0.843 175.809 176.600 0.086 0.000 0.944 146 K CA -0.595 55.741 56.287 0.082 0.000 0.829 146 K CB 2.270 34.823 32.500 0.088 0.000 1.125 146 K HN 0.880 nan 8.250 nan 0.000 0.430 147 E N 1.609 121.876 120.200 0.110 0.000 2.429 147 E HA 0.313 4.663 4.350 0.000 0.000 0.276 147 E C -2.701 174.015 176.600 0.192 0.000 0.953 147 E CA -2.329 54.151 56.400 0.133 0.000 0.787 147 E CB 2.127 31.904 29.700 0.128 0.000 1.307 147 E HN 0.313 nan 8.360 nan 0.000 0.458 148 P HA 0.004 nan 4.420 nan 0.000 0.264 148 P C 0.399 177.918 177.300 0.365 0.000 1.193 148 P CA 0.446 63.771 63.100 0.374 0.000 0.763 148 P CB 0.829 32.915 31.700 0.643 0.000 0.810 149 I N 1.618 122.305 120.570 0.195 0.000 2.252 149 I HA -0.027 4.143 4.170 0.000 0.000 0.245 149 I C 1.036 177.117 176.117 -0.061 0.000 1.102 149 I CA 1.931 63.286 61.300 0.091 0.000 1.385 149 I CB -0.205 37.812 38.000 0.028 0.000 1.064 149 I HN 0.667 nan 8.210 nan 0.000 0.414 150 G N -0.667 107.898 108.800 -0.392 0.000 2.347 150 G HA2 0.004 3.964 3.960 0.000 0.000 0.224 150 G HA3 0.004 3.964 3.960 0.000 0.000 0.224 150 G C -1.058 173.318 174.900 -0.873 0.000 1.318 150 G CA -0.232 44.198 45.100 -1.117 0.000 1.016 150 G HN -0.056 nan 8.290 nan 0.000 0.469 151 V N 0.555 120.082 119.914 -0.646 0.000 2.521 151 V HA 0.379 4.499 4.120 0.000 0.000 0.286 151 V C 0.682 176.647 176.094 -0.215 0.000 1.034 151 V CA -0.149 61.922 62.300 -0.382 0.000 1.045 151 V CB 0.296 31.971 31.823 -0.246 0.000 0.974 151 V HN 0.815 nan 8.190 nan 0.000 0.480 152 C N 4.354 123.569 119.300 -0.142 0.000 2.399 152 C HA 0.937 5.397 4.460 0.000 0.000 0.348 152 C C 0.586 175.560 174.990 -0.027 0.000 1.183 152 C CA -0.482 58.512 59.018 -0.041 0.000 2.023 152 C CB 1.072 28.851 27.740 0.066 0.000 2.361 152 C HN 1.042 nan 8.230 nan 0.000 0.521 153 A N 1.006 123.829 122.820 0.005 0.000 2.498 153 A HA 0.960 5.280 4.320 0.000 0.000 0.298 153 A C -1.057 176.556 177.584 0.049 0.000 1.075 153 A CA -0.324 51.722 52.037 0.015 0.000 0.714 153 A CB 1.274 20.276 19.000 0.004 0.000 1.299 153 A HN 1.551 nan 8.150 nan 0.000 0.407 154 A N 1.200 124.052 122.820 0.053 0.000 2.427 154 A HA 0.739 5.059 4.320 0.000 0.000 0.298 154 A C -1.099 176.531 177.584 0.075 0.000 1.036 154 A CA -0.271 51.806 52.037 0.067 0.000 0.701 154 A CB 0.736 19.766 19.000 0.051 0.000 1.250 154 A HN 0.746 nan 8.150 nan 0.000 0.412 155 I N 1.917 122.555 120.570 0.112 0.000 2.441 155 I HA 0.637 4.807 4.170 0.000 0.000 0.295 155 I C 0.427 176.536 176.117 -0.014 0.000 0.994 155 I CA -0.217 61.157 61.300 0.124 0.000 1.144 155 I CB 2.517 40.712 38.000 0.325 0.000 1.314 155 I HN 0.790 nan 8.210 nan 0.000 0.445 156 T N 3.555 118.092 114.554 -0.029 0.000 2.903 156 T HA 0.707 5.057 4.350 0.000 0.000 0.299 156 T C -2.967 171.683 174.700 -0.083 0.000 1.093 156 T CA -1.885 60.158 62.100 -0.095 0.000 1.002 156 T CB 2.517 71.358 68.868 -0.045 0.000 1.127 156 T HN 0.258 nan 8.240 nan 0.000 0.488 157 P HA 0.369 nan 4.420 nan 0.000 0.288 157 P C 0.889 178.122 177.300 -0.111 0.000 1.297 157 P CA -0.945 62.036 63.100 -0.198 0.000 0.864 157 P CB 1.102 32.548 31.700 -0.422 0.000 1.237 158 W N 1.066 122.358 121.300 -0.013 0.000 2.584 158 W HA -0.048 4.612 4.660 0.000 0.000 0.264 158 W C 1.067 177.615 176.519 0.048 0.000 1.264 158 W CA 0.501 57.851 57.345 0.008 0.000 1.306 158 W CB -1.950 27.500 29.460 -0.016 0.000 1.110 158 W HN 0.243 nan 8.180 nan 0.000 0.606 159 N N 1.372 119.865 118.700 -0.345 0.000 2.120 159 N HA -0.202 4.538 4.740 0.000 0.000 0.188 159 N C 0.067 175.743 175.510 0.277 0.000 1.024 159 N CA 1.083 54.064 53.050 -0.115 0.000 0.852 159 N CB -1.059 37.212 38.487 -0.360 0.000 1.003 159 N HN 0.151 nan 8.380 nan 0.000 0.424 160 F N 1.081 120.987 119.950 -0.073 0.000 2.622 160 F HA 0.332 4.859 4.527 0.000 0.000 0.338 160 F C -1.828 173.974 175.800 0.004 0.000 1.334 160 F CA -1.930 56.073 58.000 0.005 0.000 1.179 160 F CB 2.033 41.041 39.000 0.014 0.000 1.471 160 F HN -0.108 nan 8.300 nan 0.000 0.576 161 P HA -0.006 nan 4.420 nan 0.000 0.237 161 P C 0.853 178.202 177.300 0.082 0.000 1.178 161 P CA 0.821 63.977 63.100 0.094 0.000 0.766 161 P CB 0.542 32.308 31.700 0.111 0.000 0.876 162 A N 0.144 123.009 122.820 0.074 0.000 1.969 162 A HA 0.457 4.777 4.320 0.000 0.000 0.205 162 A C 2.340 179.959 177.584 0.059 0.000 1.364 162 A CA 0.863 52.942 52.037 0.070 0.000 0.756 162 A CB -1.169 17.867 19.000 0.060 0.000 0.988 162 A HN 0.095 nan 8.150 nan 0.000 0.490 163 A N -0.074 122.811 122.820 0.109 0.000 1.903 163 A HA -0.225 4.095 4.320 0.000 0.000 0.219 163 A C 2.174 179.688 177.584 -0.117 0.000 1.191 163 A CA 2.295 54.363 52.037 0.051 0.000 0.638 163 A CB -0.648 18.544 19.000 0.320 0.000 0.823 163 A HN 0.402 nan 8.150 nan 0.000 0.451 164 M N -1.181 118.390 119.600 -0.049 0.000 2.106 164 M HA -0.150 4.330 4.480 0.000 0.000 0.259 164 M C 2.126 178.353 176.300 -0.122 0.000 1.068 164 M CA 1.429 56.649 55.300 -0.135 0.000 1.100 164 M CB -1.261 31.293 32.600 -0.078 0.000 1.351 164 M HN 0.387 nan 8.290 nan 0.000 0.404 165 I N 0.380 120.926 120.570 -0.039 0.000 2.142 165 I HA -0.200 3.970 4.170 0.000 0.000 0.240 165 I C 2.589 178.707 176.117 0.001 0.000 1.078 165 I CA 1.594 62.902 61.300 0.014 0.000 1.343 165 I CB -0.872 37.183 38.000 0.092 0.000 1.046 165 I HN 0.225 nan 8.210 nan 0.000 0.405 166 A N -0.051 122.747 122.820 -0.037 0.000 1.978 166 A HA -0.221 4.099 4.320 0.000 0.000 0.220 166 A C 2.429 179.953 177.584 -0.100 0.000 1.170 166 A CA 1.561 53.560 52.037 -0.063 0.000 0.636 166 A CB -0.642 18.301 19.000 -0.096 0.000 0.810 166 A HN 0.336 nan 8.150 nan 0.000 0.448 167 R N -1.025 119.289 120.500 -0.310 0.000 2.189 167 R HA -0.042 4.298 4.340 0.000 0.000 0.218 167 R C 1.420 177.534 176.300 -0.310 0.000 1.074 167 R CA 1.114 56.901 56.100 -0.522 0.000 0.991 167 R CB 0.055 29.870 30.300 -0.807 0.000 0.883 167 R HN 0.378 nan 8.270 nan 0.000 0.457 168 K N -0.739 119.543 120.400 -0.197 0.000 2.325 168 K HA 0.101 4.421 4.320 0.000 0.000 0.203 168 K C 1.998 178.495 176.600 -0.171 0.000 1.128 168 K CA 0.407 56.617 56.287 -0.130 0.000 0.931 168 K CB -0.157 32.322 32.500 -0.035 0.000 1.125 168 K HN -0.059 nan 8.250 nan 0.000 0.487 169 V N 1.797 121.674 119.914 -0.062 0.000 2.307 169 V HA -0.154 3.966 4.120 0.000 0.000 0.245 169 V C 2.425 178.516 176.094 -0.006 0.000 1.045 169 V CA 2.257 64.562 62.300 0.008 0.000 1.024 169 V CB -1.213 30.726 31.823 0.193 0.000 0.651 169 V HN 0.408 nan 8.190 nan 0.000 0.449 170 G N 1.607 110.424 108.800 0.028 0.000 2.672 170 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 170 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 170 G C 0.105 174.892 174.900 -0.190 0.000 1.238 170 G CA 1.525 46.663 45.100 0.062 0.000 0.791 170 G HN 0.550 nan 8.290 nan 0.000 0.606 171 P HA -0.087 nan 4.420 nan 0.000 0.215 171 P C 2.079 178.918 177.300 -0.770 0.000 1.153 171 P CA 2.254 64.728 63.100 -1.043 0.000 0.853 171 P CB -0.284 30.475 31.700 -1.568 0.000 0.788 172 A N -0.173 122.076 122.820 -0.951 0.000 1.865 172 A HA -0.176 4.144 4.320 0.000 0.000 0.217 172 A C 2.289 179.823 177.584 -0.083 0.000 1.191 172 A CA 1.716 53.407 52.037 -0.576 0.000 0.623 172 A CB -1.634 17.162 19.000 -0.341 0.000 0.826 172 A HN 0.092 nan 8.150 nan 0.000 0.444 173 L N -0.527 120.704 121.223 0.014 0.000 2.056 173 L HA -0.062 4.278 4.340 0.000 0.000 0.207 173 L C 2.973 180.109 176.870 0.443 0.000 1.078 173 L CA 1.903 56.927 54.840 0.306 0.000 0.749 173 L CB -0.831 41.364 42.059 0.227 0.000 0.901 173 L HN 0.390 nan 8.230 nan 0.000 0.433 174 A N -0.909 122.057 122.820 0.243 0.000 1.969 174 A HA -0.085 4.235 4.320 0.000 0.000 0.218 174 A C 2.424 180.097 177.584 0.148 0.000 1.169 174 A CA 1.453 53.609 52.037 0.198 0.000 0.635 174 A CB -0.786 18.334 19.000 0.200 0.000 0.810 174 A HN 0.378 nan 8.150 nan 0.000 0.445 175 A N -1.607 121.295 122.820 0.136 0.000 2.015 175 A HA 0.341 4.661 4.320 0.000 0.000 0.219 175 A C 1.827 179.529 177.584 0.197 0.000 1.163 175 A CA 1.594 53.726 52.037 0.159 0.000 0.646 175 A CB -0.790 18.313 19.000 0.171 0.000 0.806 175 A HN 1.921 nan 8.150 nan 0.000 0.448 176 G N -2.703 106.260 108.800 0.270 0.000 2.145 176 G HA2 -0.135 3.825 3.960 0.000 0.000 0.176 176 G HA3 -0.135 3.825 3.960 0.000 0.000 0.176 176 G C -0.130 175.143 174.900 0.621 0.000 1.013 176 G CA -0.213 45.081 45.100 0.325 0.000 0.689 176 G HN 0.616 nan 8.290 nan 0.000 0.506 177 C N 1.301 120.911 119.300 0.517 0.000 2.454 177 C HA 0.854 5.314 4.460 0.000 0.000 0.336 177 C C -1.851 173.215 174.990 0.127 0.000 1.189 177 C CA -1.446 57.734 59.018 0.270 0.000 1.877 177 C CB 2.055 29.849 27.740 0.090 0.000 2.348 177 C HN 0.418 nan 8.230 nan 0.000 0.508 178 P HA 0.520 nan 4.420 nan 0.000 0.288 178 P C -1.139 176.068 177.300 -0.154 0.000 1.267 178 P CA -0.099 62.902 63.100 -0.164 0.000 0.815 178 P CB 1.261 32.886 31.700 -0.125 0.000 0.989 179 I N 2.142 122.623 120.570 -0.149 0.000 2.647 179 I HA 0.361 4.531 4.170 0.000 0.000 0.295 179 I C -1.226 174.842 176.117 -0.083 0.000 1.078 179 I CA -1.240 60.004 61.300 -0.093 0.000 1.048 179 I CB 2.297 40.260 38.000 -0.062 0.000 1.239 179 I HN -0.013 nan 8.210 nan 0.000 0.421 180 V N 7.367 127.248 119.914 -0.054 0.000 2.459 180 V HA 0.505 4.625 4.120 0.000 0.000 0.295 180 V C -0.483 175.608 176.094 -0.005 0.000 1.029 180 V CA -0.554 61.722 62.300 -0.039 0.000 0.874 180 V CB 1.767 33.564 31.823 -0.043 0.000 0.985 180 V HN 0.436 nan 8.190 nan 0.000 0.438 181 V N 4.698 124.617 119.914 0.009 0.000 2.531 181 V HA 0.511 4.631 4.120 0.000 0.000 0.301 181 V C -0.160 175.962 176.094 0.047 0.000 1.034 181 V CA -0.886 61.434 62.300 0.033 0.000 0.865 181 V CB 2.043 33.890 31.823 0.039 0.000 0.995 181 V HN 0.770 nan 8.190 nan 0.000 0.424 182 K N 7.270 127.705 120.400 0.059 0.000 2.404 182 K HA 0.466 4.786 4.320 0.000 0.000 0.257 182 K C -2.776 173.871 176.600 0.077 0.000 1.026 182 K CA -1.839 54.491 56.287 0.073 0.000 0.951 182 K CB 2.183 34.730 32.500 0.078 0.000 1.203 182 K HN 0.383 nan 8.250 nan 0.000 0.446 183 P HA 0.156 nan 4.420 nan 0.000 0.278 183 P C -0.650 176.709 177.300 0.097 0.000 1.266 183 P CA -0.542 62.605 63.100 0.078 0.000 0.807 183 P CB 0.704 32.452 31.700 0.079 0.000 1.094 184 A N 0.541 123.426 122.820 0.108 0.000 2.511 184 A HA 0.328 4.648 4.320 0.000 0.000 0.242 184 A C 1.734 179.395 177.584 0.128 0.000 1.069 184 A CA 0.558 52.681 52.037 0.142 0.000 0.763 184 A CB -0.949 18.196 19.000 0.242 0.000 1.001 184 A HN 0.643 nan 8.150 nan 0.000 0.498 185 E N 1.472 121.726 120.200 0.090 0.000 2.267 185 E HA -0.119 4.231 4.350 0.000 0.000 0.197 185 E C 2.002 178.673 176.600 0.118 0.000 0.998 185 E CA 1.895 58.349 56.400 0.089 0.000 0.830 185 E CB -0.557 28.959 29.700 -0.308 0.000 0.751 185 E HN 0.718 nan 8.360 nan 0.000 0.491 186 S N -0.274 115.458 115.700 0.054 0.000 2.436 186 S HA -0.009 4.461 4.470 0.000 0.000 0.228 186 S C 1.342 175.973 174.600 0.052 0.000 1.014 186 S CA 1.286 59.499 58.200 0.023 0.000 0.950 186 S CB 0.177 63.319 63.200 -0.097 0.000 0.784 186 S HN 0.800 nan 8.310 nan 0.000 0.504 187 T N -0.893 113.708 114.554 0.078 0.000 3.734 187 T HA 0.336 4.686 4.350 0.000 0.000 0.238 187 T C -2.544 172.165 174.700 0.016 0.000 1.205 187 T CA -1.155 60.983 62.100 0.063 0.000 1.606 187 T CB 1.365 70.321 68.868 0.148 0.000 0.832 187 T HN 0.002 nan 8.240 nan 0.000 0.655 188 P HA 0.131 nan 4.420 nan 0.000 0.221 188 P C 1.198 178.466 177.300 -0.053 0.000 1.155 188 P CA 0.199 63.227 63.100 -0.119 0.000 0.812 188 P CB -0.093 31.459 31.700 -0.247 0.000 0.801 189 F N 1.274 121.228 119.950 0.008 0.000 2.126 189 F HA -0.155 4.372 4.527 0.000 0.000 0.299 189 F C 2.519 178.317 175.800 -0.003 0.000 1.096 189 F CA 1.354 59.330 58.000 -0.040 0.000 1.255 189 F CB -1.789 37.161 39.000 -0.084 0.000 0.997 189 F HN -0.083 nan 8.300 nan 0.000 0.479 190 S N -0.040 115.787 115.700 0.212 0.000 2.383 190 S HA -0.200 4.270 4.470 0.000 0.000 0.229 190 S C 2.357 177.047 174.600 0.150 0.000 1.030 190 S CA 1.093 59.381 58.200 0.147 0.000 1.002 190 S CB -0.764 62.505 63.200 0.115 0.000 0.829 190 S HN 0.386 nan 8.310 nan 0.000 0.467 191 A N 1.217 124.123 122.820 0.143 0.000 1.930 191 A HA 0.084 4.404 4.320 0.000 0.000 0.217 191 A C 2.082 179.776 177.584 0.184 0.000 1.175 191 A CA 0.956 53.084 52.037 0.151 0.000 0.627 191 A CB -0.557 18.515 19.000 0.120 0.000 0.815 191 A HN 0.458 nan 8.150 nan 0.000 0.443 192 L N -0.972 120.370 121.223 0.198 0.000 2.131 192 L HA -0.075 4.265 4.340 0.000 0.000 0.206 192 L C 3.027 180.054 176.870 0.261 0.000 1.087 192 L CA 0.802 55.806 54.840 0.274 0.000 0.767 192 L CB -0.555 41.663 42.059 0.266 0.000 0.917 192 L HN 0.400 nan 8.230 nan 0.000 0.441 193 A N -0.028 122.896 122.820 0.173 0.000 1.940 193 A HA -0.210 4.110 4.320 0.000 0.000 0.219 193 A C 2.318 180.061 177.584 0.265 0.000 1.176 193 A CA 1.708 53.835 52.037 0.151 0.000 0.631 193 A CB -0.390 18.665 19.000 0.092 0.000 0.814 193 A HN 0.345 nan 8.150 nan 0.000 0.446 194 M N -1.161 118.604 119.600 0.275 0.000 2.334 194 M HA -0.006 4.474 4.480 0.000 0.000 0.266 194 M C 2.509 179.009 176.300 0.332 0.000 1.082 194 M CA 0.970 56.508 55.300 0.398 0.000 1.141 194 M CB -0.348 32.502 32.600 0.417 0.000 1.380 194 M HN 0.499 nan 8.290 nan 0.000 0.440 195 A N 0.430 123.348 122.820 0.163 0.000 1.877 195 A HA -0.202 4.118 4.320 0.000 0.000 0.216 195 A C 1.940 179.414 177.584 -0.185 0.000 1.186 195 A CA 1.345 53.295 52.037 -0.146 0.000 0.620 195 A CB -1.010 17.845 19.000 -0.241 0.000 0.822 195 A HN 0.456 nan 8.150 nan 0.000 0.443 196 F N 0.623 120.599 119.950 0.045 0.000 2.091 196 F HA -0.204 4.323 4.527 0.000 0.000 0.299 196 F C 1.980 177.796 175.800 0.027 0.000 1.103 196 F CA 1.893 59.974 58.000 0.135 0.000 1.228 196 F CB -0.279 38.766 39.000 0.075 0.000 0.984 196 F HN 0.148 nan 8.300 nan 0.000 0.477 197 L N -0.581 120.734 121.223 0.154 0.000 2.056 197 L HA -0.173 4.167 4.340 0.000 0.000 0.207 197 L C 2.749 179.566 176.870 -0.089 0.000 1.078 197 L CA 1.053 55.961 54.840 0.114 0.000 0.749 197 L CB -1.157 41.123 42.059 0.368 0.000 0.901 197 L HN 0.212 nan 8.230 nan 0.000 0.433 198 A N -0.290 122.278 122.820 -0.420 0.000 1.978 198 A HA -0.271 4.049 4.320 0.000 0.000 0.220 198 A C 2.236 179.528 177.584 -0.485 0.000 1.170 198 A CA 1.930 53.390 52.037 -0.961 0.000 0.636 198 A CB -0.458 17.763 19.000 -1.298 0.000 0.810 198 A HN 0.489 nan 8.150 nan 0.000 0.448 199 E N -0.362 119.625 120.200 -0.356 0.000 2.028 199 E HA -0.183 4.167 4.350 0.000 0.000 0.191 199 E C 2.261 178.752 176.600 -0.182 0.000 0.988 199 E CA 0.959 57.223 56.400 -0.226 0.000 0.799 199 E CB -0.113 29.476 29.700 -0.185 0.000 0.755 199 E HN 0.578 nan 8.360 nan 0.000 0.447 200 R N -0.173 120.193 120.500 -0.225 0.000 2.159 200 R HA -0.126 4.214 4.340 0.000 0.000 0.237 200 R C 2.190 178.456 176.300 -0.057 0.000 1.131 200 R CA 1.003 57.014 56.100 -0.148 0.000 0.982 200 R CB -0.198 30.003 30.300 -0.165 0.000 0.868 200 R HN 0.158 nan 8.270 nan 0.000 0.453 201 A N -0.223 122.572 122.820 -0.042 0.000 2.067 201 A HA 0.139 4.459 4.320 0.000 0.000 0.217 201 A C 1.390 178.992 177.584 0.030 0.000 1.156 201 A CA 1.095 53.154 52.037 0.037 0.000 0.683 201 A CB 0.077 19.145 19.000 0.114 0.000 0.808 201 A HN 0.450 nan 8.150 nan 0.000 0.455 202 G N -1.603 107.185 108.800 -0.020 0.000 2.151 202 G HA2 -0.103 3.857 3.960 0.000 0.000 0.156 202 G HA3 -0.103 3.857 3.960 0.000 0.000 0.156 202 G C -0.056 174.856 174.900 0.020 0.000 1.017 202 G CA -0.156 44.952 45.100 0.012 0.000 0.686 202 G HN 0.692 nan 8.290 nan 0.000 0.503 203 V N 3.126 122.989 119.914 -0.085 0.000 2.403 203 V HA 0.253 4.373 4.120 0.000 0.000 0.265 203 V C -0.800 175.206 176.094 -0.147 0.000 1.034 203 V CA -0.842 61.349 62.300 -0.182 0.000 1.036 203 V CB 0.473 32.070 31.823 -0.377 0.000 1.032 203 V HN 0.346 nan 8.190 nan 0.000 0.478 204 P HA 0.120 nan 4.420 nan 0.000 0.266 204 P C 0.048 177.283 177.300 -0.108 0.000 1.193 204 P CA 0.004 63.081 63.100 -0.039 0.000 0.770 204 P CB 0.328 32.065 31.700 0.062 0.000 0.836 205 K N 1.377 121.726 120.400 -0.085 0.000 2.491 205 K HA 0.341 4.661 4.320 0.000 0.000 0.279 205 K C 1.385 177.889 176.600 -0.159 0.000 1.026 205 K CA 0.363 56.564 56.287 -0.143 0.000 1.070 205 K CB -1.225 31.200 32.500 -0.125 0.000 0.887 205 K HN 0.900 nan 8.250 nan 0.000 0.481 206 G N 0.251 108.915 108.800 -0.227 0.000 2.339 206 G HA2 -0.278 3.682 3.960 0.000 0.000 0.209 206 G HA3 -0.278 3.682 3.960 0.000 0.000 0.209 206 G C 1.468 176.246 174.900 -0.202 0.000 1.015 206 G CA 0.487 45.470 45.100 -0.195 0.000 0.635 206 G HN 1.077 nan 8.290 nan 0.000 0.499 207 V N 0.669 120.429 119.914 -0.257 0.000 2.407 207 V HA 0.183 4.303 4.120 0.000 0.000 0.248 207 V C 1.261 177.156 176.094 -0.331 0.000 1.055 207 V CA 2.139 64.210 62.300 -0.382 0.000 1.049 207 V CB -0.216 31.159 31.823 -0.747 0.000 0.662 207 V HN 0.648 nan 8.190 nan 0.000 0.455 208 L N -0.562 120.500 121.223 -0.269 0.000 2.362 208 L HA 0.666 5.006 4.340 0.000 0.000 0.275 208 L C -0.550 176.259 176.870 -0.101 0.000 0.998 208 L CA 0.302 55.036 54.840 -0.176 0.000 0.820 208 L CB 2.101 44.042 42.059 -0.197 0.000 1.270 208 L HN -0.022 nan 8.230 nan 0.000 0.415 209 S N 3.161 118.814 115.700 -0.080 0.000 2.536 209 S HA 0.779 5.249 4.470 0.000 0.000 0.287 209 S C -1.215 173.390 174.600 0.008 0.000 1.101 209 S CA -0.594 57.565 58.200 -0.069 0.000 0.950 209 S CB 2.117 65.234 63.200 -0.138 0.000 1.056 209 S HN 0.413 nan 8.310 nan 0.000 0.481 210 V N 3.142 123.088 119.914 0.053 0.000 2.325 210 V HA 0.360 4.480 4.120 0.000 0.000 0.280 210 V C -0.310 175.821 176.094 0.062 0.000 1.016 210 V CA -0.661 61.680 62.300 0.069 0.000 0.818 210 V CB 1.125 33.011 31.823 0.105 0.000 1.019 210 V HN 0.708 nan 8.190 nan 0.000 0.434 211 V N 6.097 126.038 119.914 0.045 0.000 2.686 211 V HA 0.522 4.642 4.120 0.000 0.000 0.295 211 V C -0.051 176.087 176.094 0.074 0.000 1.057 211 V CA -0.314 62.014 62.300 0.047 0.000 1.012 211 V CB 1.686 33.529 31.823 0.032 0.000 1.006 211 V HN 0.685 nan 8.190 nan 0.000 0.477 212 I N 2.824 123.444 120.570 0.083 0.000 2.548 212 I HA 0.760 4.930 4.170 0.000 0.000 0.287 212 I C 0.393 176.612 176.117 0.170 0.000 1.103 212 I CA 0.138 61.511 61.300 0.122 0.000 1.049 212 I CB 1.878 39.921 38.000 0.073 0.000 1.232 212 I HN 0.896 nan 8.210 nan 0.000 0.429 213 G N 4.209 113.157 108.800 0.246 0.000 2.498 213 G HA2 0.039 3.999 3.960 0.000 0.000 0.181 213 G HA3 0.039 3.999 3.960 0.000 0.000 0.181 213 G C -1.658 173.335 174.900 0.155 0.000 1.169 213 G CA -0.636 44.639 45.100 0.292 0.000 0.992 213 G HN 0.427 nan 8.290 nan 0.000 0.490 214 D N 2.046 122.501 120.400 0.092 0.000 2.412 214 D HA 0.276 4.916 4.640 0.000 0.000 0.257 214 D C -0.534 175.780 176.300 0.022 0.000 1.217 214 D CA -1.437 52.578 54.000 0.024 0.000 0.897 214 D CB 1.643 42.459 40.800 0.026 0.000 1.132 214 D HN 0.021 nan 8.370 nan 0.000 0.493 215 P HA -0.161 nan 4.420 nan 0.000 0.217 215 P C 1.188 178.496 177.300 0.013 0.000 1.151 215 P CA 1.608 64.722 63.100 0.022 0.000 0.828 215 P CB 0.108 31.821 31.700 0.022 0.000 0.788 216 K N 0.630 121.030 120.400 -0.000 0.000 2.026 216 K HA -0.015 4.305 4.320 0.000 0.000 0.208 216 K C 2.395 178.993 176.600 -0.004 0.000 1.048 216 K CA 1.918 58.200 56.287 -0.008 0.000 0.929 216 K CB -1.720 30.773 32.500 -0.012 0.000 0.713 216 K HN 0.216 nan 8.250 nan 0.000 0.439 217 A N 0.512 123.335 122.820 0.004 0.000 1.898 217 A HA 0.085 4.405 4.320 0.000 0.000 0.216 217 A C 2.453 180.043 177.584 0.010 0.000 1.181 217 A CA 1.513 53.554 52.037 0.007 0.000 0.620 217 A CB -0.266 18.743 19.000 0.014 0.000 0.819 217 A HN 0.479 nan 8.150 nan 0.000 0.442 218 I N -0.419 120.162 120.570 0.018 0.000 2.353 218 I HA -0.122 4.048 4.170 0.000 0.000 0.248 218 I C 2.654 178.778 176.117 0.013 0.000 1.119 218 I CA 0.969 62.282 61.300 0.021 0.000 1.417 218 I CB -0.406 37.617 38.000 0.038 0.000 1.078 218 I HN 0.377 nan 8.210 nan 0.000 0.421 219 G N 0.256 109.061 108.800 0.008 0.000 2.421 219 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 219 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 219 G C 1.651 176.538 174.900 -0.022 0.000 1.171 219 G CA 1.454 46.548 45.100 -0.010 0.000 0.775 219 G HN 0.301 nan 8.290 nan 0.000 0.543 220 T N 0.613 115.155 114.554 -0.019 0.000 2.788 220 T HA -0.080 4.270 4.350 0.000 0.000 0.268 220 T C 2.164 176.854 174.700 -0.016 0.000 1.044 220 T CA 1.618 63.706 62.100 -0.020 0.000 1.139 220 T CB -0.075 68.783 68.868 -0.016 0.000 0.867 220 T HN 0.396 nan 8.240 nan 0.000 0.454 221 E N 1.127 121.321 120.200 -0.010 0.000 2.046 221 E HA 0.013 4.363 4.350 0.000 0.000 0.190 221 E C 2.022 178.614 176.600 -0.014 0.000 0.982 221 E CA 0.835 57.229 56.400 -0.010 0.000 0.800 221 E CB -0.528 29.168 29.700 -0.006 0.000 0.756 221 E HN 0.496 nan 8.360 nan 0.000 0.449 222 I N 0.694 121.257 120.570 -0.011 0.000 2.163 222 I HA -0.320 3.850 4.170 0.000 0.000 0.243 222 I C 2.378 178.482 176.117 -0.021 0.000 1.085 222 I CA 1.957 63.249 61.300 -0.013 0.000 1.347 222 I CB -0.584 37.415 38.000 -0.002 0.000 1.044 222 I HN 0.321 nan 8.210 nan 0.000 0.408 223 T N -2.443 112.096 114.554 -0.025 0.000 2.951 223 T HA -0.074 4.276 4.350 0.000 0.000 0.268 223 T C 1.806 176.489 174.700 -0.028 0.000 1.073 223 T CA 1.108 63.189 62.100 -0.032 0.000 1.134 223 T CB -0.420 68.421 68.868 -0.044 0.000 0.884 223 T HN 0.439 nan 8.240 nan 0.000 0.479 224 S N 0.721 116.407 115.700 -0.024 0.000 2.486 224 S HA 0.123 4.593 4.470 0.000 0.000 0.220 224 S C 0.962 175.551 174.600 -0.018 0.000 1.011 224 S CA -0.462 57.726 58.200 -0.020 0.000 0.921 224 S CB -0.619 62.570 63.200 -0.018 0.000 0.785 224 S HN 0.424 nan 8.310 nan 0.000 0.517 225 N N 3.843 122.531 118.700 -0.019 0.000 2.452 225 N HA 0.153 4.893 4.740 0.000 0.000 0.266 225 N C -1.767 173.730 175.510 -0.021 0.000 1.209 225 N CA -1.264 51.774 53.050 -0.019 0.000 0.929 225 N CB 1.396 39.871 38.487 -0.021 0.000 1.063 225 N HN 0.163 nan 8.380 nan 0.000 0.472 226 P HA -0.027 nan 4.420 nan 0.000 0.233 226 P C 1.409 178.698 177.300 -0.019 0.000 1.167 226 P CA 0.686 63.778 63.100 -0.015 0.000 0.770 226 P CB 0.433 32.129 31.700 -0.007 0.000 0.837 227 I N -0.625 119.932 120.570 -0.023 0.000 2.353 227 I HA -0.090 4.080 4.170 0.000 0.000 0.248 227 I C 0.903 176.982 176.117 -0.063 0.000 1.119 227 I CA 0.607 61.888 61.300 -0.032 0.000 1.417 227 I CB -0.293 37.691 38.000 -0.027 0.000 1.078 227 I HN -0.263 nan 8.210 nan 0.000 0.421 228 V N 2.529 122.408 119.914 -0.058 0.000 2.470 228 V HA 0.050 4.170 4.120 0.000 0.000 0.276 228 V C 1.126 177.179 176.094 -0.068 0.000 1.040 228 V CA 0.366 62.623 62.300 -0.071 0.000 1.008 228 V CB 0.713 32.505 31.823 -0.052 0.000 0.990 228 V HN 0.323 nan 8.190 nan 0.000 0.477 229 R N 2.668 123.114 120.500 -0.090 0.000 2.404 229 R HA 0.232 4.572 4.340 0.000 0.000 0.237 229 R C 0.220 176.478 176.300 -0.070 0.000 0.907 229 R CA -0.241 55.815 56.100 -0.074 0.000 1.063 229 R CB 0.586 30.834 30.300 -0.086 0.000 1.134 229 R HN 0.536 nan 8.270 nan 0.000 0.529 230 K N 1.236 121.591 120.400 -0.075 0.000 2.553 230 K HA 0.301 4.621 4.320 0.000 0.000 0.250 230 K C -2.048 174.521 176.600 -0.051 0.000 0.953 230 K CA -0.713 55.528 56.287 -0.077 0.000 0.800 230 K CB 1.566 34.008 32.500 -0.096 0.000 1.243 230 K HN -0.064 nan 8.250 nan 0.000 0.435 231 L N 2.467 123.662 121.223 -0.046 0.000 2.385 231 L HA 0.679 5.019 4.340 0.000 0.000 0.273 231 L C -1.352 175.523 176.870 0.008 0.000 0.990 231 L CA 0.005 54.843 54.840 -0.003 0.000 0.821 231 L CB 2.363 44.426 42.059 0.008 0.000 1.279 231 L HN 0.650 nan 8.230 nan 0.000 0.412 232 S N 4.835 120.565 115.700 0.050 0.000 2.594 232 S HA 0.569 5.039 4.470 0.000 0.000 0.322 232 S C -1.166 173.509 174.600 0.126 0.000 1.085 232 S CA -0.413 57.825 58.200 0.064 0.000 1.116 232 S CB 0.018 63.258 63.200 0.067 0.000 0.979 232 S HN 0.488 nan 8.310 nan 0.000 0.465 233 F N 4.268 124.216 119.950 -0.003 0.000 2.458 233 F HA 0.651 5.178 4.527 0.000 0.000 0.336 233 F C -0.237 175.568 175.800 0.010 0.000 1.114 233 F CA -0.189 57.813 58.000 0.003 0.000 0.987 233 F CB 1.823 40.824 39.000 0.001 0.000 1.130 233 F HN 0.376 nan 8.300 nan 0.000 0.458 234 T N 4.893 118.858 114.554 -0.981 0.000 2.840 234 T HA 0.765 5.115 4.350 0.000 0.000 0.287 234 T C -0.078 173.902 174.700 -1.199 0.000 0.991 234 T CA -0.182 61.446 62.100 -0.786 0.000 0.964 234 T CB 1.097 69.738 68.868 -0.378 0.000 0.954 234 T HN 1.109 nan 8.240 nan 0.000 0.438 235 G N 2.011 110.338 108.800 -0.788 0.000 2.513 235 G HA2 0.386 4.346 3.960 0.000 0.000 0.182 235 G HA3 0.386 4.346 3.960 0.000 0.000 0.182 235 G C -0.737 174.199 174.900 0.060 0.000 1.190 235 G CA -0.243 44.633 45.100 -0.375 0.000 0.987 235 G HN 0.951 nan 8.290 nan 0.000 0.479 236 S N 0.055 115.900 115.700 0.242 0.000 2.523 236 S HA 0.467 4.937 4.470 0.000 0.000 0.275 236 S C 1.433 176.210 174.600 0.295 0.000 1.281 236 S CA 0.987 59.322 58.200 0.225 0.000 1.050 236 S CB 1.263 64.561 63.200 0.164 0.000 0.937 236 S HN 0.972 nan 8.310 nan 0.000 0.492 237 T N 3.553 118.270 114.554 0.271 0.000 2.685 237 T HA -0.198 4.152 4.350 0.000 0.000 0.268 237 T C 2.132 176.936 174.700 0.172 0.000 1.034 237 T CA 1.862 64.124 62.100 0.270 0.000 1.149 237 T CB -0.880 68.237 68.868 0.416 0.000 0.860 237 T HN 0.915 nan 8.240 nan 0.000 0.449 238 A N 0.753 123.668 122.820 0.157 0.000 1.933 238 A HA -0.032 4.288 4.320 0.000 0.000 0.218 238 A C 2.596 180.197 177.584 0.029 0.000 1.175 238 A CA 1.440 53.530 52.037 0.088 0.000 0.628 238 A CB -0.824 18.231 19.000 0.092 0.000 0.814 238 A HN 0.403 nan 8.150 nan 0.000 0.444 239 V N -0.457 119.476 119.914 0.032 0.000 2.407 239 V HA -0.064 4.056 4.120 0.000 0.000 0.245 239 V C 2.808 178.708 176.094 -0.324 0.000 1.041 239 V CA 1.588 63.825 62.300 -0.105 0.000 1.040 239 V CB -1.385 30.419 31.823 -0.031 0.000 0.671 239 V HN 0.575 nan 8.190 nan 0.000 0.455 240 G N -0.026 108.621 108.800 -0.256 0.000 2.450 240 G HA2 -0.258 3.702 3.960 0.000 0.000 0.220 240 G HA3 -0.258 3.702 3.960 0.000 0.000 0.220 240 G C 1.768 176.580 174.900 -0.147 0.000 1.130 240 G CA 0.768 45.701 45.100 -0.279 0.000 0.760 240 G HN 0.417 nan 8.290 nan 0.000 0.557 241 R N -0.388 120.070 120.500 -0.070 0.000 2.075 241 R HA 0.108 4.448 4.340 0.000 0.000 0.232 241 R C 2.606 178.859 176.300 -0.078 0.000 1.126 241 R CA 0.913 56.982 56.100 -0.052 0.000 0.963 241 R CB -0.371 29.916 30.300 -0.021 0.000 0.858 241 R HN 0.339 nan 8.270 nan 0.000 0.435 242 L N 0.329 121.492 121.223 -0.101 0.000 2.056 242 L HA -0.151 4.189 4.340 0.000 0.000 0.207 242 L C 2.271 179.067 176.870 -0.123 0.000 1.078 242 L CA 1.051 55.832 54.840 -0.098 0.000 0.749 242 L CB -0.414 41.590 42.059 -0.092 0.000 0.901 242 L HN 0.202 nan 8.230 nan 0.000 0.433 243 L N -0.761 120.346 121.223 -0.194 0.000 2.083 243 L HA -0.239 4.101 4.340 0.000 0.000 0.209 243 L C 2.650 179.444 176.870 -0.125 0.000 1.083 243 L CA 1.299 56.021 54.840 -0.196 0.000 0.752 243 L CB -0.330 41.526 42.059 -0.339 0.000 0.899 243 L HN 0.371 nan 8.230 nan 0.000 0.433 244 M N -0.384 119.151 119.600 -0.109 0.000 2.175 244 M HA -0.166 4.314 4.480 0.000 0.000 0.264 244 M C 2.326 178.593 176.300 -0.056 0.000 1.063 244 M CA 1.823 57.083 55.300 -0.067 0.000 1.119 244 M CB -0.050 32.519 32.600 -0.052 0.000 1.377 244 M HN 0.226 nan 8.290 nan 0.000 0.415 245 A N 0.075 122.860 122.820 -0.059 0.000 1.902 245 A HA -0.221 4.099 4.320 0.000 0.000 0.217 245 A C 1.928 179.485 177.584 -0.045 0.000 1.181 245 A CA 1.847 53.856 52.037 -0.047 0.000 0.623 245 A CB -0.784 18.189 19.000 -0.045 0.000 0.818 245 A HN 0.692 nan 8.150 nan 0.000 0.443 246 Q N -0.265 119.502 119.800 -0.054 0.000 2.167 246 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 246 Q C 1.990 177.965 176.000 -0.042 0.000 0.970 246 Q CA 1.529 57.303 55.803 -0.048 0.000 0.855 246 Q CB -0.057 28.646 28.738 -0.057 0.000 0.911 246 Q HN 0.618 nan 8.270 nan 0.000 0.438 247 S N 0.234 115.906 115.700 -0.046 0.000 2.603 247 S HA 0.090 4.560 4.470 0.000 0.000 0.220 247 S C 1.728 176.309 174.600 -0.032 0.000 0.967 247 S CA 0.393 58.569 58.200 -0.039 0.000 0.920 247 S CB 0.165 63.340 63.200 -0.042 0.000 0.773 247 S HN 0.419 nan 8.310 nan 0.000 0.529 248 A N 2.885 125.686 122.820 -0.031 0.000 1.902 248 A HA 0.009 4.329 4.320 0.000 0.000 0.217 248 A C -0.193 177.379 177.584 -0.021 0.000 1.181 248 A CA 1.134 53.156 52.037 -0.026 0.000 0.623 248 A CB -1.791 17.194 19.000 -0.026 0.000 0.818 248 A HN 0.369 nan 8.150 nan 0.000 0.443 249 P HA -0.056 nan 4.420 nan 0.000 0.228 249 P C 0.778 178.070 177.300 -0.014 0.000 1.151 249 P CA 1.767 64.857 63.100 -0.016 0.000 0.770 249 P CB -0.072 31.619 31.700 -0.016 0.000 0.786 250 T N -6.102 108.442 114.554 -0.017 0.000 3.231 250 T HA 0.208 4.558 4.350 0.000 0.000 0.292 250 T C 0.409 175.100 174.700 -0.016 0.000 1.001 250 T CA -0.356 61.735 62.100 -0.015 0.000 0.920 250 T CB -0.757 68.101 68.868 -0.017 0.000 1.140 250 T HN -0.175 nan 8.240 nan 0.000 0.525 251 V N 0.628 120.532 119.914 -0.017 0.000 5.325 251 V HA -0.242 3.878 4.120 0.000 0.000 0.291 251 V C 0.431 176.512 176.094 -0.021 0.000 0.541 251 V CA 0.853 63.143 62.300 -0.017 0.000 0.687 251 V CB -2.340 29.476 31.823 -0.010 0.000 0.491 251 V HN 0.716 nan 8.190 nan 0.000 1.145 252 K N 0.380 120.764 120.400 -0.027 0.000 2.326 252 K HA 0.337 4.657 4.320 0.000 0.000 0.275 252 K C 0.381 176.958 176.600 -0.038 0.000 1.018 252 K CA -0.583 55.684 56.287 -0.034 0.000 0.962 252 K CB 0.712 33.190 32.500 -0.037 0.000 0.953 252 K HN 0.355 nan 8.250 nan 0.000 0.475 253 K N 3.174 123.546 120.400 -0.047 0.000 2.379 253 K HA 0.101 4.421 4.320 0.000 0.000 0.284 253 K C -0.802 175.755 176.600 -0.071 0.000 1.044 253 K CA -0.033 56.218 56.287 -0.060 0.000 0.974 253 K CB 0.368 32.824 32.500 -0.074 0.000 0.962 253 K HN 0.301 nan 8.250 nan 0.000 0.474 254 L N 3.552 124.739 121.223 -0.060 0.000 2.354 254 L HA 0.511 4.851 4.340 0.000 0.000 0.269 254 L C -0.624 176.219 176.870 -0.046 0.000 1.005 254 L CA -0.474 54.340 54.840 -0.043 0.000 0.819 254 L CB 2.110 44.157 42.059 -0.020 0.000 1.311 254 L HN 0.764 nan 8.230 nan 0.000 0.423 255 T N 4.355 118.893 114.554 -0.026 0.000 2.881 255 T HA 0.648 4.998 4.350 0.000 0.000 0.291 255 T C -0.450 174.285 174.700 0.058 0.000 0.990 255 T CA -0.322 61.773 62.100 -0.009 0.000 0.976 255 T CB 1.206 70.045 68.868 -0.049 0.000 0.970 255 T HN 0.275 nan 8.240 nan 0.000 0.438 256 L N 3.400 124.665 121.223 0.071 0.000 2.343 256 L HA 0.519 4.859 4.340 0.000 0.000 0.278 256 L C 0.065 176.992 176.870 0.094 0.000 0.996 256 L CA -0.844 54.076 54.840 0.133 0.000 0.831 256 L CB 1.631 43.782 42.059 0.152 0.000 1.232 256 L HN 0.473 nan 8.230 nan 0.000 0.413 257 E N 5.778 126.019 120.200 0.069 0.000 2.167 257 E HA 0.399 4.749 4.350 0.000 0.000 0.247 257 E C -0.379 176.245 176.600 0.040 0.000 0.961 257 E CA -0.199 56.236 56.400 0.059 0.000 0.797 257 E CB 1.435 31.190 29.700 0.092 0.000 1.182 257 E HN 0.528 nan 8.360 nan 0.000 0.437 258 L N -0.098 121.180 121.223 0.092 0.000 2.874 258 L HA 0.501 4.841 4.340 0.000 0.000 0.229 258 L C 1.266 178.199 176.870 0.105 0.000 1.200 258 L CA -1.086 53.837 54.840 0.138 0.000 0.976 258 L CB 0.053 42.241 42.059 0.216 0.000 1.887 258 L HN 0.331 nan 8.230 nan 0.000 0.543 259 G N -1.311 107.559 108.800 0.117 0.000 2.544 259 G HA2 0.437 4.397 3.960 0.000 0.000 0.242 259 G HA3 0.437 4.397 3.960 0.000 0.000 0.242 259 G C -0.181 174.609 174.900 -0.182 0.000 1.247 259 G CA 0.266 45.315 45.100 -0.085 0.000 0.840 259 G HN 0.736 nan 8.290 nan 0.000 0.578 260 G N -0.804 107.822 108.800 -0.291 0.000 3.209 260 G HA2 0.477 4.437 3.960 0.000 0.000 0.236 260 G HA3 0.477 4.437 3.960 0.000 0.000 0.236 260 G C -0.519 174.215 174.900 -0.278 0.000 1.329 260 G CA -0.533 44.463 45.100 -0.174 0.000 1.015 260 G HN 0.719 nan 8.290 nan 0.000 0.571 261 N N -0.955 117.727 118.700 -0.030 0.000 2.820 261 N HA 0.290 5.030 4.740 0.000 0.000 0.209 261 N C -0.214 175.333 175.510 0.063 0.000 1.406 261 N CA -0.121 52.930 53.050 0.001 0.000 0.916 261 N CB 0.469 39.030 38.487 0.123 0.000 1.532 261 N HN 0.721 nan 8.380 nan 0.000 0.559 262 A N 2.017 124.823 122.820 -0.023 0.000 2.522 262 A HA 0.377 4.697 4.320 0.000 0.000 0.256 262 A C -2.231 175.316 177.584 -0.061 0.000 1.086 262 A CA -0.389 51.601 52.037 -0.079 0.000 0.763 262 A CB -0.213 18.799 19.000 0.021 0.000 1.024 262 A HN 0.306 nan 8.150 nan 0.000 0.502 263 P HA 0.341 nan 4.420 nan 0.000 0.297 263 P C -1.018 176.312 177.300 0.050 0.000 1.319 263 P CA -0.182 62.916 63.100 -0.002 0.000 0.810 263 P CB 0.664 32.354 31.700 -0.017 0.000 0.947 264 F N 4.617 124.528 119.950 -0.065 0.000 2.385 264 F HA 0.478 5.005 4.527 0.000 0.000 0.360 264 F C -0.260 175.618 175.800 0.129 0.000 1.122 264 F CA -0.739 57.276 58.000 0.025 0.000 1.090 264 F CB 0.555 39.392 39.000 -0.270 0.000 1.150 264 F HN 0.142 nan 8.300 nan 0.000 0.472 265 I N 6.877 127.489 120.570 0.069 0.000 2.339 265 I HA 0.325 4.495 4.170 0.000 0.000 0.290 265 I C -0.981 175.220 176.117 0.140 0.000 0.994 265 I CA -0.816 60.530 61.300 0.077 0.000 1.191 265 I CB 1.602 39.522 38.000 -0.134 0.000 1.343 265 I HN 0.190 nan 8.210 nan 0.000 0.458 266 V N 7.092 127.114 119.914 0.180 0.000 2.334 266 V HA 0.369 4.489 4.120 0.000 0.000 0.281 266 V C -0.149 176.066 176.094 0.202 0.000 1.016 266 V CA -0.466 61.915 62.300 0.135 0.000 0.832 266 V CB 0.928 32.618 31.823 -0.222 0.000 0.999 266 V HN 0.385 nan 8.190 nan 0.000 0.439 267 F N 1.946 122.057 119.950 0.269 0.000 2.368 267 F HA 0.312 4.839 4.527 0.000 0.000 0.315 267 F C 1.674 177.486 175.800 0.019 0.000 1.145 267 F CA -0.124 58.021 58.000 0.241 0.000 1.095 267 F CB 0.718 39.829 39.000 0.185 0.000 1.286 267 F HN 0.500 nan 8.300 nan 0.000 0.530 268 D N 0.615 121.037 120.400 0.036 0.000 2.204 268 D HA -0.250 4.390 4.640 0.000 0.000 0.189 268 D C 1.421 177.726 176.300 0.009 0.000 1.006 268 D CA 2.145 56.024 54.000 -0.202 0.000 0.855 268 D CB -0.202 40.410 40.800 -0.314 0.000 0.946 268 D HN 0.614 nan 8.370 nan 0.000 0.448 269 D N -0.776 119.668 120.400 0.073 0.000 2.342 269 D HA 0.162 4.802 4.640 0.000 0.000 0.221 269 D C 0.148 176.515 176.300 0.111 0.000 1.101 269 D CA -0.158 53.882 54.000 0.067 0.000 0.837 269 D CB -0.315 40.503 40.800 0.029 0.000 0.938 269 D HN 0.135 nan 8.370 nan 0.000 0.508 270 A N 0.669 123.587 122.820 0.164 0.000 2.351 270 A HA 0.203 4.523 4.320 0.000 0.000 0.257 270 A C 0.031 177.717 177.584 0.171 0.000 1.087 270 A CA -0.462 51.698 52.037 0.206 0.000 0.798 270 A CB 0.503 19.667 19.000 0.272 0.000 1.033 270 A HN 0.072 nan 8.150 nan 0.000 0.488 271 D N 2.109 122.625 120.400 0.193 0.000 2.344 271 D HA 0.125 4.765 4.640 0.000 0.000 0.253 271 D C 0.982 177.370 176.300 0.147 0.000 1.255 271 D CA -0.333 53.762 54.000 0.159 0.000 0.894 271 D CB 0.339 41.242 40.800 0.172 0.000 1.067 271 D HN 0.238 nan 8.370 nan 0.000 0.492 272 L N 3.608 124.907 121.223 0.125 0.000 2.027 272 L HA -0.117 4.223 4.340 0.000 0.000 0.206 272 L C 1.750 178.680 176.870 0.100 0.000 1.074 272 L CA 1.378 56.303 54.840 0.142 0.000 0.745 272 L CB -0.859 41.287 42.059 0.145 0.000 0.898 272 L HN 0.523 nan 8.230 nan 0.000 0.433 273 D N -0.009 120.430 120.400 0.066 0.000 2.149 273 D HA -0.163 4.477 4.640 0.000 0.000 0.198 273 D C 2.117 178.441 176.300 0.039 0.000 0.990 273 D CA 1.524 55.545 54.000 0.034 0.000 0.839 273 D CB 0.316 41.135 40.800 0.032 0.000 0.948 273 D HN 0.299 nan 8.370 nan 0.000 0.460 274 A N 1.325 124.190 122.820 0.075 0.000 1.898 274 A HA -0.007 4.313 4.320 0.000 0.000 0.216 274 A C 2.358 179.908 177.584 -0.057 0.000 1.181 274 A CA 1.880 53.991 52.037 0.122 0.000 0.620 274 A CB -0.528 18.626 19.000 0.256 0.000 0.819 274 A HN 0.239 nan 8.150 nan 0.000 0.442 275 A N -0.601 122.052 122.820 -0.277 0.000 1.969 275 A HA 0.051 4.371 4.320 0.000 0.000 0.218 275 A C 2.147 179.683 177.584 -0.080 0.000 1.169 275 A CA 1.701 53.330 52.037 -0.681 0.000 0.635 275 A CB -0.675 18.152 19.000 -0.288 0.000 0.810 275 A HN 0.377 nan 8.150 nan 0.000 0.445 276 V N -0.095 119.834 119.914 0.024 0.000 2.488 276 V HA -0.116 4.004 4.120 0.000 0.000 0.246 276 V C 3.027 179.090 176.094 -0.051 0.000 1.046 276 V CA 2.203 64.471 62.300 -0.053 0.000 1.053 276 V CB -1.239 30.483 31.823 -0.168 0.000 0.679 276 V HN 0.761 nan 8.190 nan 0.000 0.458 277 E N 0.914 121.113 120.200 -0.001 0.000 2.058 277 E HA -0.223 4.127 4.350 0.000 0.000 0.194 277 E C 2.317 178.974 176.600 0.096 0.000 0.997 277 E CA 1.756 58.183 56.400 0.046 0.000 0.801 277 E CB -1.332 28.417 29.700 0.082 0.000 0.746 277 E HN 0.648 nan 8.360 nan 0.000 0.450 278 G N -0.139 108.768 108.800 0.178 0.000 2.448 278 G HA2 0.151 4.111 3.960 0.000 0.000 0.218 278 G HA3 0.151 4.111 3.960 0.000 0.000 0.218 278 G C 1.954 176.958 174.900 0.174 0.000 1.135 278 G CA 1.471 46.770 45.100 0.332 0.000 0.784 278 G HN 0.837 nan 8.290 nan 0.000 0.543 279 A N 1.328 124.090 122.820 -0.097 0.000 1.877 279 A HA 0.025 4.345 4.320 0.000 0.000 0.216 279 A C 2.327 179.889 177.584 -0.036 0.000 1.186 279 A CA 1.278 53.090 52.037 -0.376 0.000 0.620 279 A CB -0.299 18.522 19.000 -0.300 0.000 0.822 279 A HN 0.252 nan 8.150 nan 0.000 0.443 280 I N 0.138 120.731 120.570 0.039 0.000 2.127 280 I HA -0.285 3.885 4.170 0.000 0.000 0.241 280 I C 3.011 179.220 176.117 0.153 0.000 1.075 280 I CA 1.592 62.991 61.300 0.164 0.000 1.334 280 I CB -1.760 36.269 38.000 0.049 0.000 1.040 280 I HN 0.374 nan 8.210 nan 0.000 0.405 281 A N 1.423 124.296 122.820 0.090 0.000 1.873 281 A HA -0.264 4.056 4.320 0.000 0.000 0.218 281 A C 2.532 180.138 177.584 0.038 0.000 1.193 281 A CA 3.170 55.255 52.037 0.079 0.000 0.629 281 A CB -1.066 17.988 19.000 0.090 0.000 0.826 281 A HN 0.593 nan 8.150 nan 0.000 0.447 282 S N -1.176 114.503 115.700 -0.035 0.000 2.436 282 S HA -0.039 4.431 4.470 0.000 0.000 0.228 282 S C 1.675 176.193 174.600 -0.136 0.000 1.014 282 S CA 1.516 59.612 58.200 -0.174 0.000 0.950 282 S CB -0.020 62.898 63.200 -0.470 0.000 0.784 282 S HN 0.500 nan 8.310 nan 0.000 0.504 283 K N 0.003 120.342 120.400 -0.101 0.000 2.350 283 K HA 0.321 4.641 4.320 0.000 0.000 0.196 283 K C 0.626 177.016 176.600 -0.350 0.000 1.084 283 K CA 0.444 56.592 56.287 -0.232 0.000 0.967 283 K CB -0.081 32.302 32.500 -0.196 0.000 0.950 283 K HN 0.442 nan 8.250 nan 0.000 0.512 284 Y N 0.005 120.336 120.300 0.051 0.000 2.481 284 Y HA 0.353 4.903 4.550 0.000 0.000 0.247 284 Y C 0.037 175.980 175.900 0.071 0.000 1.151 284 Y CA -0.664 57.473 58.100 0.062 0.000 1.238 284 Y CB 0.413 38.897 38.460 0.040 0.000 1.179 284 Y HN -0.158 nan 8.280 nan 0.000 0.524 285 R N 2.304 122.905 120.500 0.169 0.000 2.502 285 R HA -0.040 4.300 4.340 0.000 0.000 0.292 285 R C 0.317 176.719 176.300 0.170 0.000 0.998 285 R CA 0.515 56.706 56.100 0.152 0.000 1.056 285 R CB -0.401 29.978 30.300 0.131 0.000 0.939 285 R HN 0.295 nan 8.270 nan 0.000 0.411 286 N N 3.656 122.458 118.700 0.169 0.000 2.738 286 N HA -0.333 4.407 4.740 0.000 0.000 0.249 286 N C -0.938 174.687 175.510 0.191 0.000 1.047 286 N CA 1.341 54.498 53.050 0.179 0.000 0.707 286 N CB -1.526 37.111 38.487 0.251 0.000 0.937 286 N HN 0.989 nan 8.380 nan 0.000 0.545 287 N N -0.604 118.208 118.700 0.186 0.000 2.701 287 N HA -0.243 4.497 4.740 0.000 0.000 0.250 287 N C 0.667 176.277 175.510 0.167 0.000 1.046 287 N CA 1.261 54.431 53.050 0.201 0.000 0.733 287 N CB -1.233 37.364 38.487 0.182 0.000 0.973 287 N HN 1.101 nan 8.380 nan 0.000 0.541 288 G N -0.548 108.322 108.800 0.117 0.000 2.198 288 G HA2 -0.319 3.641 3.960 0.000 0.000 0.260 288 G HA3 -0.319 3.641 3.960 0.000 0.000 0.260 288 G C 0.293 175.265 174.900 0.120 0.000 1.025 288 G CA 0.675 45.797 45.100 0.037 0.000 0.769 288 G HN 0.667 nan 8.290 nan 0.000 0.507 289 Q N -0.314 119.623 119.800 0.228 0.000 2.219 289 Q HA 0.177 4.517 4.340 0.000 0.000 0.209 289 Q C 1.396 177.589 176.000 0.323 0.000 0.854 289 Q CA 0.639 56.674 55.803 0.386 0.000 0.960 289 Q CB 0.695 29.711 28.738 0.463 0.000 1.116 289 Q HN 0.708 nan 8.270 nan 0.000 0.500 290 T N -2.786 111.899 114.554 0.218 0.000 2.913 290 T HA 0.086 4.436 4.350 0.000 0.000 0.287 290 T C 1.518 176.278 174.700 0.099 0.000 1.008 290 T CA -0.716 61.465 62.100 0.135 0.000 1.067 290 T CB 1.325 70.234 68.868 0.068 0.000 0.996 290 T HN 0.375 nan 8.240 nan 0.000 0.513 291 C N 1.702 121.049 119.300 0.078 0.000 2.422 291 C HA 0.075 4.535 4.460 0.000 0.000 0.286 291 C C 2.230 177.246 174.990 0.044 0.000 1.412 291 C CA 0.212 59.291 59.018 0.100 0.000 1.786 291 C CB -2.176 25.630 27.740 0.109 0.000 1.835 291 C HN 0.847 nan 8.230 nan 0.000 0.533 292 V N -2.841 117.116 119.914 0.071 0.000 3.621 292 V HA 0.281 4.401 4.120 0.000 0.000 0.285 292 V C 1.063 177.241 176.094 0.139 0.000 1.346 292 V CA -0.639 61.723 62.300 0.102 0.000 1.104 292 V CB -1.990 29.948 31.823 0.191 0.000 0.913 292 V HN 0.562 nan 8.190 nan 0.000 0.432 293 C N 2.462 121.784 119.300 0.036 0.000 2.665 293 C HA 0.243 4.703 4.460 0.000 0.000 0.416 293 C C 1.476 176.453 174.990 -0.023 0.000 1.305 293 C CA 0.613 59.625 59.018 -0.009 0.000 1.903 293 C CB -0.222 27.473 27.740 -0.075 0.000 2.704 293 C HN 0.649 nan 8.230 nan 0.000 0.629 294 T N 3.670 118.183 114.554 -0.069 0.000 2.928 294 T HA 0.002 4.352 4.350 0.000 0.000 0.305 294 T C 0.895 175.466 174.700 -0.215 0.000 1.035 294 T CA 0.572 62.573 62.100 -0.165 0.000 1.145 294 T CB 0.237 68.805 68.868 -0.501 0.000 0.963 294 T HN 0.817 nan 8.240 nan 0.000 0.545 295 N N 1.729 120.325 118.700 -0.172 0.000 2.239 295 N HA 0.113 4.853 4.740 0.000 0.000 0.208 295 N C -0.368 175.134 175.510 -0.013 0.000 1.200 295 N CA -0.055 52.935 53.050 -0.099 0.000 0.895 295 N CB 0.680 39.106 38.487 -0.102 0.000 1.085 295 N HN 0.455 nan 8.380 nan 0.000 0.500 296 R N 0.053 120.505 120.500 -0.080 0.000 2.512 296 R HA 0.270 4.610 4.340 0.000 0.000 0.291 296 R C -1.580 174.644 176.300 -0.126 0.000 1.097 296 R CA -0.552 55.538 56.100 -0.017 0.000 0.940 296 R CB 0.952 31.135 30.300 -0.195 0.000 1.198 296 R HN -0.045 nan 8.270 nan 0.000 0.429 297 F N 2.826 122.833 119.950 0.096 0.000 2.411 297 F HA 0.384 4.911 4.527 0.000 0.000 0.350 297 F C -0.006 175.811 175.800 0.029 0.000 1.114 297 F CA -0.287 57.797 58.000 0.140 0.000 1.135 297 F CB 0.725 39.821 39.000 0.160 0.000 1.120 297 F HN 0.328 nan 8.300 nan 0.000 0.495 298 F N 3.413 123.591 119.950 0.379 0.000 2.347 298 F HA 0.512 5.039 4.527 0.000 0.000 0.366 298 F C -0.481 175.598 175.800 0.465 0.000 1.107 298 F CA -0.951 57.261 58.000 0.353 0.000 1.058 298 F CB 1.138 40.145 39.000 0.012 0.000 1.236 298 F HN 0.007 nan 8.300 nan 0.000 0.456 299 V N 3.111 123.395 119.914 0.616 0.000 2.459 299 V HA 0.240 4.360 4.120 0.000 0.000 0.295 299 V C 0.189 176.326 176.094 0.072 0.000 1.029 299 V CA -0.995 61.505 62.300 0.334 0.000 0.874 299 V CB 1.288 33.196 31.823 0.142 0.000 0.985 299 V HN 0.600 nan 8.190 nan 0.000 0.438 300 H N 3.235 122.035 119.070 -0.449 0.000 2.928 300 H HA 0.071 4.627 4.556 0.000 0.000 0.338 300 H C 1.250 176.394 175.328 -0.308 0.000 1.047 300 H CA 0.832 56.337 56.048 -0.906 0.000 1.435 300 H CB 0.873 30.239 29.762 -0.659 0.000 1.428 300 H HN 0.886 nan 8.280 nan 0.000 0.590 301 E N 3.600 123.420 120.200 -0.633 0.000 2.240 301 E HA -0.340 4.010 4.350 0.000 0.000 0.236 301 E C 1.747 178.361 176.600 0.024 0.000 1.085 301 E CA 1.972 58.206 56.400 -0.276 0.000 0.979 301 E CB 0.008 29.492 29.700 -0.360 0.000 0.845 301 E HN 0.647 nan 8.360 nan 0.000 0.483 302 R N -0.188 120.435 120.500 0.205 0.000 2.299 302 R HA -0.040 4.300 4.340 0.000 0.000 0.197 302 R C 1.830 178.224 176.300 0.157 0.000 0.971 302 R CA 0.797 57.003 56.100 0.177 0.000 1.030 302 R CB 0.430 30.837 30.300 0.179 0.000 0.932 302 R HN 0.213 nan 8.270 nan 0.000 0.477 303 V N -4.431 115.591 119.914 0.181 0.000 3.432 303 V HA 0.084 4.204 4.120 0.000 0.000 0.298 303 V C 1.470 177.689 176.094 0.209 0.000 1.464 303 V CA -0.350 62.050 62.300 0.166 0.000 1.046 303 V CB -0.644 31.263 31.823 0.140 0.000 0.887 303 V HN 0.067 nan 8.190 nan 0.000 0.441 304 Y N 2.642 122.995 120.300 0.089 0.000 2.053 304 Y HA -0.254 4.296 4.550 0.000 0.000 0.277 304 Y C 2.293 178.272 175.900 0.131 0.000 1.159 304 Y CA 2.675 60.842 58.100 0.112 0.000 1.125 304 Y CB -0.108 38.382 38.460 0.049 0.000 0.969 304 Y HN 0.282 nan 8.280 nan 0.000 0.492 305 D N -0.291 120.255 120.400 0.244 0.000 2.117 305 D HA -0.150 4.490 4.640 0.000 0.000 0.198 305 D C 2.261 178.584 176.300 0.039 0.000 0.982 305 D CA 1.391 55.465 54.000 0.124 0.000 0.828 305 D CB -0.607 40.273 40.800 0.133 0.000 0.967 305 D HN 0.484 nan 8.370 nan 0.000 0.464 306 A N 0.557 123.419 122.820 0.070 0.000 1.902 306 A HA -0.165 4.155 4.320 0.000 0.000 0.217 306 A C 2.081 179.679 177.584 0.024 0.000 1.181 306 A CA 0.964 53.027 52.037 0.044 0.000 0.623 306 A CB -0.920 18.123 19.000 0.071 0.000 0.818 306 A HN 0.249 nan 8.150 nan 0.000 0.443 307 F N 0.947 120.848 119.950 -0.081 0.000 2.113 307 F HA 0.008 4.535 4.527 0.000 0.000 0.297 307 F C 2.485 178.160 175.800 -0.209 0.000 1.103 307 F CA 1.194 59.117 58.000 -0.128 0.000 1.248 307 F CB -0.465 38.469 39.000 -0.110 0.000 0.999 307 F HN 0.236 nan 8.300 nan 0.000 0.475 308 A N 0.113 122.742 122.820 -0.318 0.000 1.902 308 A HA -0.188 4.132 4.320 0.000 0.000 0.217 308 A C 1.929 179.302 177.584 -0.352 0.000 1.181 308 A CA 2.028 53.804 52.037 -0.436 0.000 0.623 308 A CB -1.060 17.713 19.000 -0.377 0.000 0.818 308 A HN 0.450 nan 8.150 nan 0.000 0.443 309 D N -0.207 120.057 120.400 -0.227 0.000 2.117 309 D HA -0.107 4.533 4.640 0.000 0.000 0.197 309 D C 1.927 178.102 176.300 -0.208 0.000 0.987 309 D CA 1.342 55.239 54.000 -0.172 0.000 0.829 309 D CB -0.241 40.500 40.800 -0.098 0.000 0.961 309 D HN 0.472 nan 8.370 nan 0.000 0.460 310 K N -0.143 120.111 120.400 -0.243 0.000 2.148 310 K HA -0.073 4.247 4.320 0.000 0.000 0.204 310 K C 1.973 178.367 176.600 -0.343 0.000 1.050 310 K CA 0.261 56.401 56.287 -0.246 0.000 0.942 310 K CB -0.063 32.317 32.500 -0.200 0.000 0.724 310 K HN 0.068 nan 8.250 nan 0.000 0.446 311 L N 0.895 121.796 121.223 -0.537 0.000 2.072 311 L HA -0.035 4.305 4.340 0.000 0.000 0.205 311 L C 2.173 178.813 176.870 -0.383 0.000 1.079 311 L CA 1.529 56.018 54.840 -0.585 0.000 0.752 311 L CB -0.522 40.977 42.059 -0.933 0.000 0.906 311 L HN 0.060 nan 8.230 nan 0.000 0.436 312 A N -0.379 122.247 122.820 -0.323 0.000 1.898 312 A HA -0.074 4.246 4.320 0.000 0.000 0.216 312 A C 2.438 179.904 177.584 -0.196 0.000 1.181 312 A CA 1.621 53.519 52.037 -0.231 0.000 0.620 312 A CB -1.170 17.720 19.000 -0.184 0.000 0.819 312 A HN 0.540 nan 8.150 nan 0.000 0.442 313 A N -0.292 122.418 122.820 -0.183 0.000 1.978 313 A HA 0.152 4.472 4.320 0.000 0.000 0.220 313 A C 2.385 179.879 177.584 -0.150 0.000 1.170 313 A CA 2.029 53.979 52.037 -0.145 0.000 0.636 313 A CB -0.750 18.174 19.000 -0.126 0.000 0.810 313 A HN 1.019 nan 8.150 nan 0.000 0.448 314 A N -0.994 121.716 122.820 -0.184 0.000 1.970 314 A HA 0.178 4.498 4.320 0.000 0.000 0.216 314 A C 2.134 179.595 177.584 -0.207 0.000 1.170 314 A CA 1.316 53.248 52.037 -0.175 0.000 0.645 314 A CB -0.526 18.364 19.000 -0.185 0.000 0.816 314 A HN 0.309 nan 8.150 nan 0.000 0.447 315 V N 0.987 120.747 119.914 -0.256 0.000 2.453 315 V HA -0.183 3.937 4.120 0.000 0.000 0.247 315 V C 2.854 178.810 176.094 -0.230 0.000 1.048 315 V CA 2.179 64.283 62.300 -0.327 0.000 1.049 315 V CB -0.556 31.043 31.823 -0.373 0.000 0.672 315 V HN 0.785 nan 8.190 nan 0.000 0.457 316 S N 0.544 116.142 115.700 -0.170 0.000 2.507 316 S HA -0.120 4.350 4.470 0.000 0.000 0.235 316 S C 1.924 176.461 174.600 -0.105 0.000 0.988 316 S CA 1.335 59.462 58.200 -0.122 0.000 0.944 316 S CB -0.441 62.697 63.200 -0.102 0.000 0.762 316 S HN 0.635 nan 8.310 nan 0.000 0.526 317 K N 1.147 121.477 120.400 -0.115 0.000 2.305 317 K HA 0.442 4.762 4.320 0.000 0.000 0.199 317 K C 0.846 177.395 176.600 -0.085 0.000 1.047 317 K CA 0.614 56.847 56.287 -0.091 0.000 0.976 317 K CB -0.778 31.670 32.500 -0.086 0.000 0.765 317 K HN 0.608 nan 8.250 nan 0.000 0.474 318 L N 1.501 122.658 121.223 -0.111 0.000 2.331 318 L HA 0.284 4.624 4.340 0.000 0.000 0.278 318 L C 0.283 177.110 176.870 -0.072 0.000 1.106 318 L CA -0.583 54.201 54.840 -0.094 0.000 0.824 318 L CB 1.528 43.506 42.059 -0.135 0.000 1.142 318 L HN 0.225 nan 8.230 nan 0.000 0.443 319 K N 2.252 122.622 120.400 -0.051 0.000 2.183 319 K HA 0.470 4.790 4.320 0.000 0.000 0.274 319 K C -1.101 175.463 176.600 -0.060 0.000 1.009 319 K CA -0.577 55.680 56.287 -0.050 0.000 0.888 319 K CB 1.382 33.858 32.500 -0.040 0.000 1.078 319 K HN 0.329 nan 8.250 nan 0.000 0.459 320 V N 3.606 123.450 119.914 -0.116 0.000 2.370 320 V HA 0.712 4.832 4.120 0.000 0.000 0.279 320 V C 0.465 176.348 176.094 -0.351 0.000 1.029 320 V CA -0.186 61.984 62.300 -0.216 0.000 0.870 320 V CB 0.827 32.414 31.823 -0.394 0.000 0.984 320 V HN 1.024 nan 8.190 nan 0.000 0.451 321 G N 2.901 111.563 108.800 -0.230 0.000 2.349 321 G HA2 0.606 4.566 3.960 0.000 0.000 0.294 321 G HA3 0.606 4.566 3.960 0.000 0.000 0.294 321 G C -0.549 174.429 174.900 0.130 0.000 1.380 321 G CA -0.387 44.531 45.100 -0.304 0.000 0.811 321 G HN 0.862 nan 8.290 nan 0.000 0.519 322 R N -0.717 119.885 120.500 0.169 0.000 2.640 322 R HA 0.496 4.836 4.340 0.000 0.000 0.270 322 R C 1.688 178.079 176.300 0.153 0.000 1.024 322 R CA 1.223 57.494 56.100 0.285 0.000 1.085 322 R CB -0.332 30.079 30.300 0.186 0.000 0.963 322 R HN 2.192 nan 8.270 nan 0.000 0.426 323 G N -0.121 108.758 108.800 0.132 0.000 2.471 323 G HA2 -0.217 3.743 3.960 0.000 0.000 0.219 323 G HA3 -0.217 3.743 3.960 0.000 0.000 0.219 323 G C 1.545 176.475 174.900 0.050 0.000 1.125 323 G CA 1.455 46.603 45.100 0.079 0.000 0.775 323 G HN 0.935 nan 8.290 nan 0.000 0.548 324 T N -1.154 113.429 114.554 0.048 0.000 3.055 324 T HA 0.142 4.492 4.350 0.000 0.000 0.265 324 T C 0.828 175.543 174.700 0.024 0.000 1.111 324 T CA 0.083 62.200 62.100 0.029 0.000 1.118 324 T CB 0.091 68.974 68.868 0.025 0.000 0.909 324 T HN 0.354 nan 8.240 nan 0.000 0.501 325 E N 2.044 122.261 120.200 0.029 0.000 2.360 325 E HA 0.276 4.626 4.350 0.000 0.000 0.269 325 E C -0.314 176.292 176.600 0.011 0.000 1.022 325 E CA -0.316 56.093 56.400 0.016 0.000 0.887 325 E CB 0.762 30.467 29.700 0.008 0.000 0.990 325 E HN 0.182 nan 8.360 nan 0.000 0.426 326 S N 1.336 117.038 115.700 0.004 0.000 2.533 326 S HA 0.289 4.759 4.470 0.000 0.000 0.282 326 S C 1.086 175.685 174.600 -0.001 0.000 1.304 326 S CA 0.755 58.956 58.200 0.002 0.000 1.063 326 S CB 0.368 63.568 63.200 -0.000 0.000 0.881 326 S HN 0.786 nan 8.310 nan 0.000 0.493 327 G N 2.808 111.608 108.800 0.000 0.000 2.184 327 G HA2 -0.205 3.755 3.960 0.000 0.000 0.264 327 G HA3 -0.205 3.755 3.960 0.000 0.000 0.264 327 G C 0.248 175.146 174.900 -0.004 0.000 0.975 327 G CA 0.159 45.257 45.100 -0.003 0.000 0.642 327 G HN 1.373 nan 8.290 nan 0.000 0.536 328 A N 0.421 123.243 122.820 0.002 0.000 2.454 328 A HA 0.666 4.986 4.320 0.000 0.000 0.260 328 A C 1.414 179.012 177.584 0.023 0.000 1.106 328 A CA 1.426 53.468 52.037 0.007 0.000 0.780 328 A CB 0.343 19.354 19.000 0.019 0.000 1.044 328 A HN 1.355 nan 8.150 nan 0.000 0.498 329 T N 0.306 114.873 114.554 0.021 0.000 2.971 329 T HA 0.358 4.708 4.350 0.000 0.000 0.252 329 T C 0.194 174.932 174.700 0.064 0.000 1.022 329 T CA 0.164 62.284 62.100 0.034 0.000 0.980 329 T CB -0.261 68.615 68.868 0.014 0.000 1.044 329 T HN 0.349 nan 8.240 nan 0.000 0.501 330 L N 2.017 123.284 121.223 0.073 0.000 2.343 330 L HA 0.740 5.080 4.340 0.000 0.000 0.278 330 L C 0.661 177.643 176.870 0.186 0.000 0.996 330 L CA -1.113 53.800 54.840 0.122 0.000 0.831 330 L CB 1.851 43.977 42.059 0.111 0.000 1.232 330 L HN 0.280 nan 8.230 nan 0.000 0.413 331 G N 3.036 111.945 108.800 0.181 0.000 2.537 331 G HA2 0.630 4.590 3.960 0.000 0.000 0.297 331 G HA3 0.630 4.590 3.960 0.000 0.000 0.297 331 G C -2.720 172.217 174.900 0.062 0.000 1.310 331 G CA -1.126 44.088 45.100 0.190 0.000 1.027 331 G HN 0.303 nan 8.290 nan 0.000 0.505 332 P HA 0.259 nan 4.420 nan 0.000 0.279 332 P C -0.181 176.993 177.300 -0.211 0.000 1.252 332 P CA -0.647 62.090 63.100 -0.605 0.000 0.811 332 P CB 1.125 32.078 31.700 -1.245 0.000 1.035 333 L N 2.390 123.543 121.223 -0.116 0.000 2.482 333 L HA 0.074 4.414 4.340 0.000 0.000 0.273 333 L C 2.310 179.082 176.870 -0.163 0.000 1.228 333 L CA 0.201 54.998 54.840 -0.072 0.000 0.827 333 L CB -0.736 41.292 42.059 -0.051 0.000 1.099 333 L HN 0.499 nan 8.230 nan 0.000 0.494 334 I N 1.037 121.467 120.570 -0.233 0.000 2.127 334 I HA -0.270 3.900 4.170 0.000 0.000 0.241 334 I C 0.707 176.631 176.117 -0.323 0.000 1.075 334 I CA 1.451 62.523 61.300 -0.381 0.000 1.334 334 I CB 0.240 37.688 38.000 -0.920 0.000 1.040 334 I HN 0.987 nan 8.210 nan 0.000 0.405 335 N N -2.033 116.482 118.700 -0.307 0.000 3.204 335 N HA 0.092 4.832 4.740 0.000 0.000 0.285 335 N C 0.337 175.753 175.510 -0.156 0.000 1.536 335 N CA -0.599 52.316 53.050 -0.224 0.000 0.832 335 N CB 0.283 38.616 38.487 -0.257 0.000 1.645 335 N HN -0.234 nan 8.380 nan 0.000 0.586 336 E N -0.038 120.090 120.200 -0.121 0.000 2.058 336 E HA -0.133 4.217 4.350 0.000 0.000 0.194 336 E C 1.640 178.192 176.600 -0.080 0.000 0.997 336 E CA 1.947 58.300 56.400 -0.078 0.000 0.801 336 E CB -0.717 28.941 29.700 -0.070 0.000 0.746 336 E HN 0.673 nan 8.360 nan 0.000 0.450 337 A N 0.569 123.329 122.820 -0.100 0.000 2.014 337 A HA 0.038 4.358 4.320 0.000 0.000 0.218 337 A C 2.351 179.878 177.584 -0.095 0.000 1.163 337 A CA 1.645 53.630 52.037 -0.086 0.000 0.652 337 A CB -0.430 18.520 19.000 -0.083 0.000 0.808 337 A HN 0.282 nan 8.150 nan 0.000 0.449 338 A N -0.213 122.531 122.820 -0.126 0.000 1.908 338 A HA -0.033 4.287 4.320 0.000 0.000 0.218 338 A C 2.209 179.716 177.584 -0.128 0.000 1.181 338 A CA 1.899 53.867 52.037 -0.115 0.000 0.627 338 A CB -0.923 17.989 19.000 -0.147 0.000 0.818 338 A HN 0.389 nan 8.150 nan 0.000 0.445 339 V N 0.299 120.137 119.914 -0.125 0.000 2.261 339 V HA -0.226 3.894 4.120 0.000 0.000 0.246 339 V C 3.148 179.157 176.094 -0.143 0.000 1.047 339 V CA 2.757 64.966 62.300 -0.152 0.000 1.015 339 V CB -1.396 30.408 31.823 -0.032 0.000 0.642 339 V HN 0.710 nan 8.190 nan 0.000 0.446 340 K N 0.369 120.723 120.400 -0.075 0.000 2.160 340 K HA -0.281 4.039 4.320 0.000 0.000 0.206 340 K C 2.063 178.629 176.600 -0.057 0.000 1.047 340 K CA 2.275 58.536 56.287 -0.044 0.000 0.930 340 K CB -0.637 31.848 32.500 -0.026 0.000 0.720 340 K HN 0.513 nan 8.250 nan 0.000 0.450 341 K N 0.032 120.376 120.400 -0.093 0.000 2.031 341 K HA 0.023 4.343 4.320 0.000 0.000 0.205 341 K C 2.026 178.510 176.600 -0.194 0.000 1.049 341 K CA 1.260 57.473 56.287 -0.123 0.000 0.939 341 K CB -0.290 32.129 32.500 -0.134 0.000 0.717 341 K HN 0.139 nan 8.250 nan 0.000 0.438 342 V N 1.527 121.298 119.914 -0.239 0.000 2.407 342 V HA -0.230 3.890 4.120 0.000 0.000 0.248 342 V C 1.916 177.909 176.094 -0.169 0.000 1.055 342 V CA 2.018 64.148 62.300 -0.284 0.000 1.049 342 V CB -0.445 31.070 31.823 -0.513 0.000 0.662 342 V HN 0.392 nan 8.190 nan 0.000 0.455 343 E N -0.266 119.851 120.200 -0.139 0.000 2.106 343 E HA -0.179 4.171 4.350 0.000 0.000 0.192 343 E C 2.408 179.051 176.600 0.072 0.000 0.984 343 E CA 1.345 57.758 56.400 0.022 0.000 0.806 343 E CB -0.223 29.513 29.700 0.060 0.000 0.750 343 E HN 0.528 nan 8.360 nan 0.000 0.458 344 S N 0.004 115.743 115.700 0.065 0.000 2.368 344 S HA -0.188 4.282 4.470 0.000 0.000 0.225 344 S C 1.818 176.534 174.600 0.192 0.000 1.030 344 S CA 1.088 59.358 58.200 0.116 0.000 0.999 344 S CB -0.249 63.021 63.200 0.117 0.000 0.844 344 S HN 0.393 nan 8.310 nan 0.000 0.459 345 H N -0.140 118.943 119.070 0.021 0.000 2.423 345 H HA 0.035 4.591 4.556 0.000 0.000 0.297 345 H C 2.033 177.381 175.328 0.034 0.000 1.075 345 H CA 1.456 57.522 56.048 0.029 0.000 1.342 345 H CB 0.012 29.788 29.762 0.024 0.000 1.395 345 H HN 0.411 nan 8.280 nan 0.000 0.530 346 I N 0.343 121.011 120.570 0.163 0.000 2.233 346 I HA -0.174 3.996 4.170 0.000 0.000 0.243 346 I C 2.797 178.966 176.117 0.087 0.000 1.093 346 I CA 0.738 62.111 61.300 0.122 0.000 1.380 346 I CB -0.160 37.936 38.000 0.160 0.000 1.067 346 I HN 0.193 nan 8.210 nan 0.000 0.413 347 A N 0.317 123.190 122.820 0.088 0.000 1.898 347 A HA -0.288 4.032 4.320 0.000 0.000 0.216 347 A C 1.964 179.575 177.584 0.046 0.000 1.181 347 A CA 2.315 54.391 52.037 0.065 0.000 0.620 347 A CB -0.709 18.330 19.000 0.065 0.000 0.819 347 A HN 0.469 nan 8.150 nan 0.000 0.442 348 D N -0.608 119.819 120.400 0.045 0.000 2.123 348 D HA 0.040 4.680 4.640 0.000 0.000 0.200 348 D C 2.055 178.356 176.300 0.003 0.000 0.976 348 D CA 1.370 55.384 54.000 0.022 0.000 0.831 348 D CB -0.159 40.650 40.800 0.014 0.000 0.974 348 D HN 0.329 nan 8.370 nan 0.000 0.469 349 A N 0.566 123.384 122.820 -0.004 0.000 1.859 349 A HA -0.171 4.149 4.320 0.000 0.000 0.217 349 A C 2.381 179.957 177.584 -0.013 0.000 1.198 349 A CA 1.530 53.553 52.037 -0.024 0.000 0.629 349 A CB -1.145 17.838 19.000 -0.028 0.000 0.830 349 A HN 0.370 nan 8.150 nan 0.000 0.446 350 L N -0.856 120.370 121.223 0.006 0.000 2.043 350 L HA -0.257 4.083 4.340 0.000 0.000 0.212 350 L C 3.087 179.961 176.870 0.006 0.000 1.075 350 L CA 1.281 56.126 54.840 0.008 0.000 0.752 350 L CB -0.751 41.321 42.059 0.021 0.000 0.891 350 L HN 0.480 nan 8.230 nan 0.000 0.432 351 A N -0.027 122.800 122.820 0.011 0.000 1.978 351 A HA -0.192 4.128 4.320 0.000 0.000 0.220 351 A C 2.044 179.631 177.584 0.005 0.000 1.170 351 A CA 1.514 53.557 52.037 0.010 0.000 0.636 351 A CB -0.296 18.713 19.000 0.015 0.000 0.810 351 A HN 0.362 nan 8.150 nan 0.000 0.448 352 K N -1.473 118.927 120.400 0.000 0.000 2.446 352 K HA 0.319 4.639 4.320 0.000 0.000 0.203 352 K C 0.822 177.416 176.600 -0.009 0.000 1.027 352 K CA 0.411 56.697 56.287 -0.002 0.000 1.166 352 K CB 0.089 32.587 32.500 -0.003 0.000 0.869 352 K HN 0.595 nan 8.250 nan 0.000 0.504 353 G N 0.483 109.277 108.800 -0.010 0.000 2.179 353 G HA2 -0.257 3.703 3.960 0.000 0.000 0.220 353 G HA3 -0.257 3.703 3.960 0.000 0.000 0.220 353 G C 0.289 175.177 174.900 -0.021 0.000 0.990 353 G CA -0.107 44.985 45.100 -0.013 0.000 0.646 353 G HN 0.444 nan 8.290 nan 0.000 0.517 354 A N -0.163 122.641 122.820 -0.028 0.000 2.327 354 A HA 0.784 5.104 4.320 0.000 0.000 0.255 354 A C 0.642 178.218 177.584 -0.014 0.000 1.099 354 A CA 1.011 53.027 52.037 -0.035 0.000 0.801 354 A CB 0.639 19.607 19.000 -0.053 0.000 1.062 354 A HN 1.110 nan 8.150 nan 0.000 0.496 355 S N -0.740 114.955 115.700 -0.008 0.000 2.526 355 S HA 0.501 4.971 4.470 0.000 0.000 0.293 355 S C -0.993 173.612 174.600 0.009 0.000 1.092 355 S CA -0.425 57.777 58.200 0.004 0.000 0.980 355 S CB 1.331 64.536 63.200 0.009 0.000 1.048 355 S HN 0.649 nan 8.310 nan 0.000 0.483 356 L N 3.916 125.146 121.223 0.011 0.000 2.260 356 L HA 0.448 4.788 4.340 0.000 0.000 0.289 356 L C 0.784 177.655 176.870 0.003 0.000 1.057 356 L CA 0.192 55.041 54.840 0.015 0.000 0.811 356 L CB 0.653 42.724 42.059 0.021 0.000 1.184 356 L HN 0.911 nan 8.230 nan 0.000 0.429 357 M N 2.574 122.171 119.600 -0.004 0.000 2.429 357 M HA 0.125 4.605 4.480 0.000 0.000 0.265 357 M C 0.142 176.422 176.300 -0.033 0.000 1.120 357 M CA 0.825 56.111 55.300 -0.023 0.000 1.173 357 M CB 0.468 33.043 32.600 -0.042 0.000 1.343 357 M HN 0.631 nan 8.290 nan 0.000 0.464 358 T N -0.516 114.022 114.554 -0.026 0.000 2.932 358 T HA 0.556 4.906 4.350 0.000 0.000 0.318 358 T C -0.227 174.466 174.700 -0.012 0.000 1.265 358 T CA 0.166 62.246 62.100 -0.034 0.000 1.036 358 T CB 1.227 70.058 68.868 -0.061 0.000 1.209 358 T HN 0.777 nan 8.240 nan 0.000 0.484 359 G N 2.173 110.955 108.800 -0.029 0.000 2.539 359 G HA2 0.262 4.222 3.960 0.000 0.000 0.256 359 G HA3 0.262 4.222 3.960 0.000 0.000 0.256 359 G C 0.913 175.794 174.900 -0.031 0.000 1.233 359 G CA 1.148 46.225 45.100 -0.038 0.000 0.936 359 G HN 2.388 nan 8.290 nan 0.000 0.571 360 G N -3.671 105.118 108.800 -0.020 0.000 2.284 360 G HA2 0.510 4.470 3.960 0.000 0.000 0.201 360 G HA3 0.510 4.470 3.960 0.000 0.000 0.201 360 G C 0.638 175.530 174.900 -0.013 0.000 0.998 360 G CA 1.528 46.661 45.100 0.055 0.000 0.651 360 G HN 2.416 nan 8.290 nan 0.000 0.489 361 K N 0.267 120.480 120.400 -0.311 0.000 2.331 361 K HA 0.922 5.242 4.320 0.000 0.000 0.238 361 K C 0.236 176.290 176.600 -0.912 0.000 1.058 361 K CA -0.344 55.725 56.287 -0.363 0.000 0.871 361 K CB 0.582 32.973 32.500 -0.182 0.000 1.292 361 K HN 0.535 nan 8.250 nan 0.000 0.470 362 R N 1.522 121.783 120.500 -0.399 0.000 2.438 362 R HA 0.170 4.510 4.340 0.000 0.000 0.287 362 R C 0.274 176.483 176.300 -0.151 0.000 1.077 362 R CA -0.634 55.345 56.100 -0.203 0.000 1.034 362 R CB 0.378 30.739 30.300 0.101 0.000 0.993 362 R HN 0.735 nan 8.270 nan 0.000 0.459 363 H N 1.363 120.359 119.070 -0.123 0.000 2.771 363 H HA 0.003 4.559 4.556 0.000 0.000 0.364 363 H C 0.789 176.090 175.328 -0.045 0.000 1.133 363 H CA 0.570 56.572 56.048 -0.075 0.000 1.423 363 H CB 1.303 31.068 29.762 0.004 0.000 1.425 363 H HN 0.772 nan 8.280 nan 0.000 0.606 364 A N 4.734 127.251 122.820 -0.505 0.000 1.933 364 A HA -0.138 4.182 4.320 0.000 0.000 0.218 364 A C 2.715 180.269 177.584 -0.050 0.000 1.175 364 A CA 1.641 53.525 52.037 -0.255 0.000 0.628 364 A CB -1.128 17.675 19.000 -0.329 0.000 0.814 364 A HN 0.667 nan 8.150 nan 0.000 0.444 365 L N -1.010 120.292 121.223 0.132 0.000 2.700 365 L HA 0.404 4.744 4.340 0.000 0.000 0.240 365 L C 1.665 178.634 176.870 0.166 0.000 1.162 365 L CA 1.285 56.184 54.840 0.098 0.000 0.874 365 L CB -2.362 39.638 42.059 -0.098 0.000 1.001 365 L HN 1.669 nan 8.230 nan 0.000 0.447 366 G N -1.934 106.948 108.800 0.138 0.000 2.641 366 G HA2 -0.186 3.774 3.960 0.000 0.000 0.254 366 G HA3 -0.186 3.774 3.960 0.000 0.000 0.254 366 G C 0.317 175.328 174.900 0.186 0.000 1.315 366 G CA 0.705 45.817 45.100 0.019 0.000 0.907 366 G HN 1.885 nan 8.290 nan 0.000 0.572 367 H N -2.495 116.678 119.070 0.171 0.000 1.452 367 H HA -0.226 4.330 4.556 0.000 0.000 0.090 367 H C 2.047 177.408 175.328 0.056 0.000 1.382 367 H CA 2.176 58.279 56.048 0.091 0.000 1.901 367 H CB -1.244 28.565 29.762 0.078 0.000 2.257 367 H HN 1.721 nan 8.280 nan 0.000 0.961 368 G N 0.049 108.890 108.800 0.069 0.000 2.679 368 G HA2 0.071 4.031 3.960 0.000 0.000 0.212 368 G HA3 0.071 4.031 3.960 0.000 0.000 0.212 368 G C -0.178 174.701 174.900 -0.036 0.000 1.137 368 G CA 0.133 45.196 45.100 -0.062 0.000 0.787 368 G HN 0.230 nan 8.290 nan 0.000 0.534 369 F N -0.133 119.915 119.950 0.164 0.000 2.518 369 F HA 0.518 5.045 4.527 0.000 0.000 0.359 369 F C -0.029 175.934 175.800 0.272 0.000 1.118 369 F CA -0.461 57.634 58.000 0.157 0.000 1.287 369 F CB 0.477 39.531 39.000 0.090 0.000 1.132 369 F HN -0.022 nan 8.300 nan 0.000 0.587 370 F N 1.390 121.514 119.950 0.290 0.000 2.641 370 F HA 0.322 4.849 4.527 0.000 0.000 0.308 370 F C -0.763 175.161 175.800 0.207 0.000 1.105 370 F CA -0.999 57.133 58.000 0.219 0.000 0.964 370 F CB 1.351 40.440 39.000 0.147 0.000 1.294 370 F HN 0.474 nan 8.300 nan 0.000 0.442 371 E N 5.816 125.849 120.200 -0.279 0.000 2.360 371 E HA 0.186 4.536 4.350 0.000 0.000 0.269 371 E C -2.397 174.291 176.600 0.146 0.000 1.022 371 E CA -1.679 54.680 56.400 -0.068 0.000 0.887 371 E CB 0.226 29.802 29.700 -0.207 0.000 0.990 371 E HN 0.176 nan 8.360 nan 0.000 0.426 372 P HA 0.006 nan 4.420 nan 0.000 0.271 372 P C -0.807 176.610 177.300 0.195 0.000 1.226 372 P CA -0.038 63.210 63.100 0.247 0.000 0.765 372 P CB 0.740 32.451 31.700 0.018 0.000 0.835 373 T N 2.612 117.353 114.554 0.312 0.000 2.855 373 T HA 0.408 4.758 4.350 0.000 0.000 0.281 373 T C -0.063 174.751 174.700 0.189 0.000 1.007 373 T CA -0.505 61.724 62.100 0.215 0.000 1.009 373 T CB 1.279 70.304 68.868 0.262 0.000 0.983 373 T HN 0.077 nan 8.240 nan 0.000 0.455 374 V N 4.108 124.072 119.914 0.082 0.000 2.495 374 V HA 0.503 4.623 4.120 0.000 0.000 0.298 374 V C -0.396 175.704 176.094 0.011 0.000 1.031 374 V CA -0.820 61.492 62.300 0.019 0.000 0.871 374 V CB 1.472 33.252 31.823 -0.071 0.000 0.988 374 V HN 0.710 nan 8.190 nan 0.000 0.432 375 L N 4.527 125.755 121.223 0.008 0.000 2.334 375 L HA 0.738 5.078 4.340 0.000 0.000 0.276 375 L C 0.382 177.251 176.870 -0.003 0.000 1.014 375 L CA -0.314 54.528 54.840 0.002 0.000 0.815 375 L CB 2.366 44.424 42.059 -0.001 0.000 1.268 375 L HN 0.816 nan 8.230 nan 0.000 0.428 376 T N -2.070 112.498 114.554 0.024 0.000 2.942 376 T HA 0.606 4.956 4.350 0.000 0.000 0.289 376 T C 0.636 175.375 174.700 0.065 0.000 1.044 376 T CA -0.156 62.013 62.100 0.115 0.000 1.023 376 T CB 1.750 70.711 68.868 0.156 0.000 1.123 376 T HN 0.948 nan 8.240 nan 0.000 0.512 377 G N 0.543 109.400 108.800 0.095 0.000 2.350 377 G HA2 -0.126 3.834 3.960 0.000 0.000 0.298 377 G HA3 -0.126 3.834 3.960 0.000 0.000 0.298 377 G C -0.130 174.699 174.900 -0.117 0.000 1.037 377 G CA 0.016 45.088 45.100 -0.048 0.000 1.074 377 G HN 1.058 nan 8.290 nan 0.000 0.511 378 V N -0.174 119.606 119.914 -0.225 0.000 2.509 378 V HA 0.851 4.971 4.120 0.000 0.000 0.284 378 V C 0.648 176.419 176.094 -0.538 0.000 1.047 378 V CA 0.352 62.352 62.300 -0.500 0.000 0.952 378 V CB 1.334 32.659 31.823 -0.831 0.000 0.988 378 V HN 0.964 nan 8.190 nan 0.000 0.469 379 K N 4.937 125.155 120.400 -0.304 0.000 2.318 379 K HA 0.690 5.010 4.320 0.000 0.000 0.249 379 K C -2.577 174.199 176.600 0.293 0.000 0.942 379 K CA -1.831 54.488 56.287 0.053 0.000 0.808 379 K CB 1.226 33.749 32.500 0.037 0.000 1.189 379 K HN 0.502 nan 8.250 nan 0.000 0.428 380 P HA -0.078 nan 4.420 nan 0.000 0.239 380 P C 0.123 177.558 177.300 0.224 0.000 1.184 380 P CA 0.957 64.306 63.100 0.414 0.000 0.760 380 P CB 0.310 32.172 31.700 0.271 0.000 0.884 381 D N -2.304 118.190 120.400 0.156 0.000 2.360 381 D HA 0.010 4.650 4.640 0.000 0.000 0.210 381 D C 0.567 176.905 176.300 0.063 0.000 1.047 381 D CA 0.173 54.228 54.000 0.091 0.000 0.854 381 D CB -0.303 40.536 40.800 0.065 0.000 0.936 381 D HN 0.151 nan 8.370 nan 0.000 0.514 382 M N 1.248 120.886 119.600 0.062 0.000 2.241 382 M HA 0.065 4.545 4.480 0.000 0.000 0.335 382 M C 0.864 177.158 176.300 -0.010 0.000 1.122 382 M CA -0.458 54.846 55.300 0.006 0.000 1.164 382 M CB 0.944 33.521 32.600 -0.037 0.000 1.459 382 M HN -0.308 nan 8.290 nan 0.000 0.461 383 D N 1.035 121.381 120.400 -0.090 0.000 2.133 383 D HA -0.152 4.488 4.640 0.000 0.000 0.195 383 D C 1.794 177.930 176.300 -0.273 0.000 0.997 383 D CA 1.201 55.106 54.000 -0.159 0.000 0.840 383 D CB -0.212 40.471 40.800 -0.194 0.000 0.947 383 D HN 0.460 nan 8.370 nan 0.000 0.452 384 V N 0.788 120.446 119.914 -0.426 0.000 2.828 384 V HA -0.184 3.936 4.120 0.000 0.000 0.260 384 V C 2.000 178.151 176.094 0.094 0.000 1.101 384 V CA 1.737 63.886 62.300 -0.251 0.000 1.123 384 V CB -0.437 31.325 31.823 -0.101 0.000 0.704 384 V HN 0.197 nan 8.190 nan 0.000 0.493 385 A N -0.807 122.120 122.820 0.178 0.000 2.119 385 A HA 0.109 4.429 4.320 0.000 0.000 0.216 385 A C 2.192 179.857 177.584 0.135 0.000 1.152 385 A CA 1.624 53.809 52.037 0.248 0.000 0.708 385 A CB -0.328 18.873 19.000 0.336 0.000 0.805 385 A HN 0.614 nan 8.150 nan 0.000 0.460 386 K N -0.378 120.091 120.400 0.115 0.000 2.424 386 K HA 0.335 4.655 4.320 0.000 0.000 0.198 386 K C 0.553 177.262 176.600 0.181 0.000 1.190 386 K CA 0.543 56.917 56.287 0.144 0.000 0.935 386 K CB 0.097 32.670 32.500 0.121 0.000 1.087 386 K HN 0.545 nan 8.250 nan 0.000 0.524 387 E N 0.762 121.054 120.200 0.153 0.000 2.191 387 E HA 0.269 4.619 4.350 0.000 0.000 0.274 387 E C -1.180 175.541 176.600 0.202 0.000 0.948 387 E CA -0.550 55.975 56.400 0.209 0.000 0.802 387 E CB 1.599 31.503 29.700 0.340 0.000 1.137 387 E HN 0.430 nan 8.360 nan 0.000 0.397 388 E N 0.949 121.175 120.200 0.044 0.000 2.344 388 E HA 0.026 4.376 4.350 0.000 0.000 0.270 388 E C 0.335 176.908 176.600 -0.044 0.000 1.021 388 E CA 0.059 56.379 56.400 -0.134 0.000 0.887 388 E CB 0.976 30.404 29.700 -0.453 0.000 0.997 388 E HN 0.521 nan 8.360 nan 0.000 0.429 389 T N 2.839 117.336 114.554 -0.094 0.000 2.851 389 T HA -0.073 4.277 4.350 0.000 0.000 0.262 389 T C 0.421 175.121 174.700 -0.001 0.000 1.043 389 T CA 0.116 62.132 62.100 -0.141 0.000 1.140 389 T CB -0.199 68.656 68.868 -0.023 0.000 0.872 389 T HN 0.630 nan 8.240 nan 0.000 0.446 390 F N 1.335 121.265 119.950 -0.032 0.000 2.983 390 F HA -0.062 4.465 4.527 0.000 0.000 0.288 390 F C 0.813 176.625 175.800 0.020 0.000 0.980 390 F CA 0.238 58.253 58.000 0.025 0.000 0.965 390 F CB -1.593 37.463 39.000 0.093 0.000 0.967 390 F HN 0.502 nan 8.300 nan 0.000 0.800 391 G N -0.559 108.293 108.800 0.087 0.000 2.600 391 G HA2 0.639 4.599 3.960 0.000 0.000 0.293 391 G HA3 0.639 4.599 3.960 0.000 0.000 0.293 391 G C -3.250 171.666 174.900 0.026 0.000 1.408 391 G CA -0.986 44.145 45.100 0.051 0.000 0.782 391 G HN -0.207 nan 8.290 nan 0.000 0.482 392 P HA 0.346 nan 4.420 nan 0.000 0.231 392 P C -0.898 176.508 177.300 0.177 0.000 1.811 392 P CA -0.182 63.002 63.100 0.139 0.000 1.051 392 P CB 0.412 32.366 31.700 0.423 0.000 1.951 393 L N 1.871 123.105 121.223 0.018 0.000 2.377 393 L HA 0.654 4.994 4.340 0.000 0.000 0.270 393 L C -0.454 176.473 176.870 0.094 0.000 0.991 393 L CA -0.782 54.122 54.840 0.106 0.000 0.851 393 L CB 1.527 43.649 42.059 0.106 0.000 1.218 393 L HN 0.127 nan 8.230 nan 0.000 0.420 394 A N 6.873 129.779 122.820 0.142 0.000 2.391 394 A HA 0.737 5.057 4.320 0.000 0.000 0.316 394 A C -2.528 175.153 177.584 0.161 0.000 1.381 394 A CA -1.171 50.977 52.037 0.186 0.000 0.998 394 A CB -0.482 18.495 19.000 -0.038 0.000 1.147 394 A HN 0.462 nan 8.150 nan 0.000 0.545 395 P HA 0.390 nan 4.420 nan 0.000 0.300 395 P C -0.795 176.620 177.300 0.191 0.000 1.356 395 P CA -0.166 63.020 63.100 0.144 0.000 0.823 395 P CB 1.018 32.783 31.700 0.108 0.000 0.934 396 L N 4.654 125.913 121.223 0.060 0.000 2.315 396 L HA 0.391 4.731 4.340 0.000 0.000 0.278 396 L C 0.348 177.337 176.870 0.199 0.000 1.088 396 L CA -0.624 54.322 54.840 0.176 0.000 0.899 396 L CB -0.580 41.507 42.059 0.047 0.000 1.277 396 L HN 0.224 nan 8.230 nan 0.000 0.431 397 F N 1.659 121.643 119.950 0.057 0.000 2.440 397 F HA 0.360 4.887 4.527 0.000 0.000 0.323 397 F C 0.933 176.888 175.800 0.259 0.000 1.192 397 F CA -0.171 57.837 58.000 0.014 0.000 1.252 397 F CB 0.499 39.228 39.000 -0.452 0.000 1.214 397 F HN 0.393 nan 8.300 nan 0.000 0.578 398 R N 1.675 122.417 120.500 0.404 0.000 2.670 398 R HA 0.576 4.916 4.340 0.000 0.000 0.289 398 R C -1.469 175.052 176.300 0.368 0.000 0.965 398 R CA -0.630 55.618 56.100 0.247 0.000 0.899 398 R CB 1.402 31.620 30.300 -0.137 0.000 1.173 398 R HN 0.629 nan 8.270 nan 0.000 0.456 399 F N 0.360 120.367 119.950 0.095 0.000 2.640 399 F HA 0.803 5.330 4.527 0.000 0.000 0.324 399 F C -0.391 175.296 175.800 -0.188 0.000 1.077 399 F CA -0.715 57.288 58.000 0.004 0.000 0.965 399 F CB 1.839 40.852 39.000 0.022 0.000 1.351 399 F HN 0.467 nan 8.300 nan 0.000 0.487 400 A N 0.264 123.033 122.820 -0.084 0.000 2.427 400 A HA 0.613 4.933 4.320 0.000 0.000 0.225 400 A C 0.104 177.692 177.584 0.008 0.000 1.257 400 A CA 0.640 52.523 52.037 -0.256 0.000 0.985 400 A CB -0.468 18.473 19.000 -0.098 0.000 1.136 400 A HN 1.296 nan 8.150 nan 0.000 0.538 401 S N -1.625 114.252 115.700 0.296 0.000 2.588 401 S HA 0.390 4.860 4.470 0.000 0.000 0.269 401 S C 0.244 175.116 174.600 0.452 0.000 1.157 401 S CA 0.259 58.682 58.200 0.370 0.000 0.824 401 S CB 1.071 64.397 63.200 0.209 0.000 1.126 401 S HN 0.177 nan 8.310 nan 0.000 0.464 402 E N 0.594 121.043 120.200 0.414 0.000 2.072 402 E HA -0.179 4.171 4.350 0.000 0.000 0.191 402 E C 1.594 178.289 176.600 0.159 0.000 0.985 402 E CA 1.264 57.881 56.400 0.362 0.000 0.801 402 E CB -0.149 29.716 29.700 0.274 0.000 0.750 402 E HN 0.744 nan 8.360 nan 0.000 0.452 403 E N 0.680 120.951 120.200 0.117 0.000 2.077 403 E HA -0.258 4.092 4.350 0.000 0.000 0.193 403 E C 2.003 178.614 176.600 0.018 0.000 0.989 403 E CA 1.171 57.602 56.400 0.053 0.000 0.800 403 E CB -0.050 29.680 29.700 0.050 0.000 0.746 403 E HN 0.331 nan 8.360 nan 0.000 0.452 404 E N 0.370 120.595 120.200 0.043 0.000 2.077 404 E HA -0.211 4.139 4.350 0.000 0.000 0.193 404 E C 2.408 178.944 176.600 -0.107 0.000 0.989 404 E CA 1.001 57.406 56.400 0.008 0.000 0.800 404 E CB -0.099 29.650 29.700 0.082 0.000 0.746 404 E HN 0.245 nan 8.360 nan 0.000 0.452 405 L N 0.351 121.464 121.223 -0.183 0.000 2.005 405 L HA -0.161 4.179 4.340 0.000 0.000 0.207 405 L C 2.376 178.997 176.870 -0.415 0.000 1.072 405 L CA 1.262 55.798 54.840 -0.507 0.000 0.744 405 L CB -0.394 41.167 42.059 -0.831 0.000 0.895 405 L HN 0.002 nan 8.230 nan 0.000 0.433 406 V N 0.215 119.996 119.914 -0.222 0.000 2.278 406 V HA -0.382 3.738 4.120 0.000 0.000 0.251 406 V C 2.802 178.798 176.094 -0.162 0.000 1.062 406 V CA 2.445 64.652 62.300 -0.155 0.000 1.038 406 V CB -0.832 30.948 31.823 -0.070 0.000 0.646 406 V HN 0.519 nan 8.190 nan 0.000 0.447 407 R N -0.890 119.525 120.500 -0.142 0.000 2.073 407 R HA -0.160 4.180 4.340 0.000 0.000 0.234 407 R C 2.256 178.452 176.300 -0.174 0.000 1.134 407 R CA 1.535 57.561 56.100 -0.123 0.000 0.952 407 R CB -0.304 29.948 30.300 -0.080 0.000 0.850 407 R HN 0.334 nan 8.270 nan 0.000 0.433 408 L N 0.342 121.401 121.223 -0.275 0.000 2.046 408 L HA -0.096 4.244 4.340 0.000 0.000 0.208 408 L C 2.334 178.894 176.870 -0.517 0.000 1.077 408 L CA 2.070 56.665 54.840 -0.409 0.000 0.747 408 L CB -0.960 40.722 42.059 -0.628 0.000 0.896 408 L HN 0.253 nan 8.230 nan 0.000 0.432 409 A N -1.016 121.474 122.820 -0.549 0.000 1.968 409 A HA -0.107 4.213 4.320 0.000 0.000 0.217 409 A C 1.770 179.317 177.584 -0.062 0.000 1.169 409 A CA 1.289 53.125 52.037 -0.334 0.000 0.638 409 A CB -0.391 18.427 19.000 -0.303 0.000 0.812 409 A HN 0.495 nan 8.150 nan 0.000 0.446 410 N N 0.300 118.940 118.700 -0.099 0.000 2.322 410 N HA 0.022 4.762 4.740 0.000 0.000 0.194 410 N C -0.299 175.155 175.510 -0.094 0.000 1.126 410 N CA 0.281 53.275 53.050 -0.093 0.000 0.845 410 N CB 0.069 38.493 38.487 -0.104 0.000 0.976 410 N HN 0.369 nan 8.380 nan 0.000 0.475 411 D N 0.707 121.061 120.400 -0.078 0.000 2.934 411 D HA 0.064 4.704 4.640 0.000 0.000 0.237 411 D C -0.624 175.663 176.300 -0.022 0.000 1.158 411 D CA 0.161 54.129 54.000 -0.053 0.000 0.971 411 D CB -0.174 40.600 40.800 -0.043 0.000 1.123 411 D HN -0.063 nan 8.370 nan 0.000 0.467 412 T N -1.567 112.963 114.554 -0.040 0.000 2.889 412 T HA 0.490 4.840 4.350 0.000 0.000 0.315 412 T C 0.870 175.503 174.700 -0.113 0.000 1.291 412 T CA 0.123 62.215 62.100 -0.013 0.000 1.028 412 T CB 1.251 70.182 68.868 0.106 0.000 1.235 412 T HN -0.011 nan 8.240 nan 0.000 0.491 413 E N 2.152 122.222 120.200 -0.217 0.000 2.274 413 E HA 0.243 4.593 4.350 0.000 0.000 0.194 413 E C 0.265 176.599 176.600 -0.443 0.000 0.996 413 E CA 0.883 57.048 56.400 -0.392 0.000 0.840 413 E CB -0.373 28.993 29.700 -0.557 0.000 0.772 413 E HN 0.567 nan 8.360 nan 0.000 0.491 414 F N -0.809 119.087 119.950 -0.090 0.000 2.362 414 F HA 0.603 5.130 4.527 0.000 0.000 0.311 414 F C 1.318 176.974 175.800 -0.240 0.000 1.161 414 F CA -0.184 57.753 58.000 -0.105 0.000 1.085 414 F CB 1.939 40.919 39.000 -0.033 0.000 1.311 414 F HN 0.039 nan 8.300 nan 0.000 0.524 415 G N 1.009 109.789 108.800 -0.033 0.000 4.144 415 G HA2 0.341 4.301 3.960 0.000 0.000 0.261 415 G HA3 0.341 4.301 3.960 0.000 0.000 0.261 415 G C -0.798 174.050 174.900 -0.085 0.000 3.644 415 G CA -0.269 44.605 45.100 -0.377 0.000 0.583 415 G HN 0.564 nan 8.290 nan 0.000 0.247 416 L N 1.322 122.615 121.223 0.117 0.000 2.428 416 L HA 0.895 5.235 4.340 0.000 0.000 0.190 416 L C 1.395 178.266 176.870 0.001 0.000 1.255 416 L CA 1.317 56.154 54.840 -0.007 0.000 0.848 416 L CB -0.060 41.959 42.059 -0.066 0.000 1.088 416 L HN 0.484 nan 8.230 nan 0.000 0.500 417 A N -0.846 121.931 122.820 -0.073 0.000 2.320 417 A HA 0.857 5.177 4.320 0.000 0.000 0.334 417 A C -0.954 176.208 177.584 -0.704 0.000 1.147 417 A CA 0.058 51.886 52.037 -0.348 0.000 0.820 417 A CB 0.995 19.787 19.000 -0.347 0.000 1.218 417 A HN 0.557 nan 8.150 nan 0.000 0.482 418 A N 0.196 122.419 122.820 -0.995 0.000 2.587 418 A HA 0.811 5.131 4.320 0.000 0.000 0.293 418 A C -1.744 175.151 177.584 -1.149 0.000 1.087 418 A CA -0.462 50.907 52.037 -1.113 0.000 0.692 418 A CB 0.986 19.305 19.000 -1.135 0.000 1.291 418 A HN 0.942 nan 8.150 nan 0.000 0.407 419 Y N -0.568 119.503 120.300 -0.381 0.000 2.524 419 Y HA 0.731 5.281 4.550 0.000 0.000 0.347 419 Y C -0.653 174.965 175.900 -0.471 0.000 1.005 419 Y CA -0.920 56.915 58.100 -0.441 0.000 1.025 419 Y CB 2.394 40.518 38.460 -0.560 0.000 1.275 419 Y HN 0.684 nan 8.280 nan 0.000 0.460 420 L N 2.926 123.986 121.223 -0.272 0.000 2.580 420 L HA 0.544 4.884 4.340 0.000 0.000 0.266 420 L C -2.370 174.419 176.870 -0.135 0.000 0.955 420 L CA -0.643 54.115 54.840 -0.136 0.000 0.886 420 L CB 1.041 43.045 42.059 -0.092 0.000 1.263 420 L HN 0.610 nan 8.230 nan 0.000 0.406 421 Y N 3.587 123.881 120.300 -0.009 0.000 2.334 421 Y HA 0.759 5.309 4.550 0.000 0.000 0.336 421 Y C 0.331 176.343 175.900 0.187 0.000 0.960 421 Y CA -0.140 58.008 58.100 0.081 0.000 1.164 421 Y CB 2.079 40.608 38.460 0.114 0.000 1.155 421 Y HN 0.676 nan 8.280 nan 0.000 0.478 422 S N 2.555 118.380 115.700 0.208 0.000 2.543 422 S HA 0.437 4.907 4.470 0.000 0.000 0.274 422 S C -0.066 174.576 174.600 0.070 0.000 1.149 422 S CA -0.859 57.427 58.200 0.144 0.000 0.866 422 S CB 1.116 64.316 63.200 0.001 0.000 1.111 422 S HN 0.694 nan 8.310 nan 0.000 0.457 423 R N 1.416 121.952 120.500 0.061 0.000 2.290 423 R HA 0.196 4.536 4.340 0.000 0.000 0.197 423 R C -0.308 176.002 176.300 0.017 0.000 0.913 423 R CA 0.112 56.240 56.100 0.046 0.000 1.040 423 R CB -0.672 29.664 30.300 0.060 0.000 0.992 423 R HN 0.674 nan 8.270 nan 0.000 0.500 424 D N 1.435 121.828 120.400 -0.012 0.000 2.336 424 D HA 0.015 4.655 4.640 0.000 0.000 0.249 424 D C 1.460 177.753 176.300 -0.012 0.000 1.213 424 D CA -0.109 53.876 54.000 -0.026 0.000 0.870 424 D CB 0.571 41.335 40.800 -0.060 0.000 1.076 424 D HN -0.164 nan 8.370 nan 0.000 0.483 425 I N 4.119 124.694 120.570 0.009 0.000 2.248 425 I HA -0.189 3.981 4.170 0.000 0.000 0.248 425 I C 1.671 177.817 176.117 0.048 0.000 1.107 425 I CA 1.628 62.954 61.300 0.043 0.000 1.373 425 I CB -0.722 37.277 38.000 -0.002 0.000 1.055 425 I HN 0.634 nan 8.210 nan 0.000 0.418 426 G N 0.411 109.204 108.800 -0.011 0.000 2.414 426 G HA2 -0.277 3.683 3.960 0.000 0.000 0.215 426 G HA3 -0.277 3.683 3.960 0.000 0.000 0.215 426 G C 1.872 176.778 174.900 0.010 0.000 1.188 426 G CA 0.677 45.767 45.100 -0.017 0.000 0.783 426 G HN 0.360 nan 8.290 nan 0.000 0.537 427 R N -0.019 120.450 120.500 -0.052 0.000 2.092 427 R HA 0.004 4.344 4.340 0.000 0.000 0.231 427 R C 2.610 178.842 176.300 -0.113 0.000 1.119 427 R CA 1.157 57.176 56.100 -0.135 0.000 0.970 427 R CB -0.364 29.759 30.300 -0.294 0.000 0.864 427 R HN 0.246 nan 8.270 nan 0.000 0.440 428 V N -0.015 119.871 119.914 -0.047 0.000 2.332 428 V HA -0.265 3.855 4.120 0.000 0.000 0.248 428 V C 1.789 177.895 176.094 0.021 0.000 1.055 428 V CA 1.929 64.219 62.300 -0.017 0.000 1.038 428 V CB -0.531 31.310 31.823 0.030 0.000 0.651 428 V HN 0.457 nan 8.190 nan 0.000 0.450 429 W N 0.119 121.369 121.300 -0.084 0.000 2.409 429 W HA -0.017 4.643 4.660 0.000 0.000 0.299 429 W C 2.748 179.231 176.519 -0.060 0.000 1.203 429 W CA 1.154 58.461 57.345 -0.064 0.000 1.298 429 W CB -0.356 29.072 29.460 -0.053 0.000 1.127 429 W HN 0.042 nan 8.180 nan 0.000 0.528 430 R N -0.347 120.247 120.500 0.156 0.000 2.080 430 R HA -0.181 4.159 4.340 0.000 0.000 0.236 430 R C 1.872 178.184 176.300 0.020 0.000 1.137 430 R CA 2.134 58.277 56.100 0.072 0.000 0.943 430 R CB -1.178 29.139 30.300 0.028 0.000 0.846 430 R HN 0.093 nan 8.270 nan 0.000 0.431 431 V N 0.759 120.669 119.914 -0.008 0.000 2.358 431 V HA -0.189 3.931 4.120 0.000 0.000 0.246 431 V C 2.444 178.508 176.094 -0.050 0.000 1.047 431 V CA 1.789 64.082 62.300 -0.012 0.000 1.035 431 V CB -0.722 31.119 31.823 0.029 0.000 0.658 431 V HN 0.412 nan 8.190 nan 0.000 0.452 432 A N -0.293 122.467 122.820 -0.099 0.000 1.940 432 A HA -0.264 4.056 4.320 0.000 0.000 0.219 432 A C 2.189 179.685 177.584 -0.146 0.000 1.176 432 A CA 2.032 53.967 52.037 -0.170 0.000 0.631 432 A CB -0.447 18.372 19.000 -0.301 0.000 0.814 432 A HN 0.629 nan 8.150 nan 0.000 0.446 433 E N -0.726 119.410 120.200 -0.107 0.000 2.158 433 E HA 0.019 4.369 4.350 0.000 0.000 0.191 433 E C 2.130 178.705 176.600 -0.043 0.000 0.982 433 E CA 0.683 57.042 56.400 -0.067 0.000 0.823 433 E CB -0.157 29.544 29.700 0.002 0.000 0.766 433 E HN 0.625 nan 8.360 nan 0.000 0.468 434 A N 0.849 123.650 122.820 -0.032 0.000 2.072 434 A HA 0.049 4.369 4.320 0.000 0.000 0.216 434 A C 1.123 178.688 177.584 -0.032 0.000 1.156 434 A CA 0.081 52.100 52.037 -0.029 0.000 0.701 434 A CB -0.126 18.862 19.000 -0.020 0.000 0.816 434 A HN 0.071 nan 8.150 nan 0.000 0.458 435 L N 1.192 122.404 121.223 -0.019 0.000 2.410 435 L HA 0.083 4.423 4.340 0.000 0.000 0.273 435 L C 0.041 176.929 176.870 0.031 0.000 1.152 435 L CA -0.062 54.808 54.840 0.050 0.000 0.855 435 L CB 0.649 42.753 42.059 0.075 0.000 1.129 435 L HN 0.325 nan 8.230 nan 0.000 0.463 436 E N 4.264 124.429 120.200 -0.058 0.000 1.964 436 E HA 0.234 4.584 4.350 0.000 0.000 0.264 436 E C -1.465 174.812 176.600 -0.537 0.000 1.120 436 E CA -0.075 56.177 56.400 -0.248 0.000 1.061 436 E CB 0.233 29.768 29.700 -0.275 0.000 1.190 436 E HN 0.334 nan 8.360 nan 0.000 0.459 437 Y N -1.415 118.798 120.300 -0.144 0.000 2.562 437 Y HA 0.344 4.894 4.550 0.000 0.000 0.345 437 Y C 1.275 177.065 175.900 -0.183 0.000 1.045 437 Y CA -1.029 56.971 58.100 -0.167 0.000 1.028 437 Y CB 1.764 40.102 38.460 -0.203 0.000 1.297 437 Y HN 0.275 nan 8.280 nan 0.000 0.463 438 G N 0.878 109.645 108.800 -0.055 0.000 2.551 438 G HA2 0.106 4.066 3.960 0.000 0.000 0.216 438 G HA3 0.106 4.066 3.960 0.000 0.000 0.216 438 G C 0.042 174.850 174.900 -0.155 0.000 1.137 438 G CA 0.356 45.377 45.100 -0.133 0.000 0.798 438 G HN 0.414 nan 8.290 nan 0.000 0.536 439 M N 0.434 119.937 119.600 -0.162 0.000 2.326 439 M HA 0.450 4.930 4.480 0.000 0.000 0.292 439 M C -1.789 174.351 176.300 -0.266 0.000 1.081 439 M CA -0.450 54.727 55.300 -0.205 0.000 0.919 439 M CB 3.546 36.002 32.600 -0.239 0.000 1.634 439 M HN -0.261 nan 8.290 nan 0.000 0.451 440 V N 1.955 121.715 119.914 -0.258 0.000 2.447 440 V HA 0.570 4.690 4.120 0.000 0.000 0.292 440 V C 0.248 176.180 176.094 -0.269 0.000 1.021 440 V CA -0.800 61.307 62.300 -0.321 0.000 0.850 440 V CB 1.786 33.450 31.823 -0.265 0.000 1.005 440 V HN 1.007 nan 8.190 nan 0.000 0.426 441 G N 4.838 113.468 108.800 -0.282 0.000 2.364 441 G HA2 0.599 4.559 3.960 0.000 0.000 0.267 441 G HA3 0.599 4.559 3.960 0.000 0.000 0.267 441 G C -0.564 174.221 174.900 -0.191 0.000 1.233 441 G CA -0.245 44.778 45.100 -0.129 0.000 0.885 441 G HN 0.646 nan 8.290 nan 0.000 0.490 442 I N 2.555 123.005 120.570 -0.201 0.000 2.354 442 I HA 0.164 4.334 4.170 0.000 0.000 0.286 442 I C 0.043 175.959 176.117 -0.335 0.000 1.007 442 I CA -0.675 60.471 61.300 -0.256 0.000 1.167 442 I CB 1.155 39.037 38.000 -0.196 0.000 1.320 442 I HN 0.513 nan 8.210 nan 0.000 0.458 443 N N 2.646 120.959 118.700 -0.646 0.000 2.735 443 N HA -0.182 4.558 4.740 0.000 0.000 0.248 443 N C -0.227 174.866 175.510 -0.694 0.000 1.083 443 N CA 1.190 53.633 53.050 -1.012 0.000 0.703 443 N CB -0.754 37.519 38.487 -0.356 0.000 1.005 443 N HN 0.729 nan 8.380 nan 0.000 0.550 444 T N -2.942 111.291 114.554 -0.536 0.000 2.885 444 T HA 0.564 4.914 4.350 0.000 0.000 0.322 444 T C 0.891 175.718 174.700 0.212 0.000 1.387 444 T CA 0.156 62.272 62.100 0.026 0.000 1.041 444 T CB 1.462 70.353 68.868 0.039 0.000 1.287 444 T HN 0.063 nan 8.240 nan 0.000 0.491 445 G N 1.461 110.448 108.800 0.310 0.000 2.921 445 G HA2 0.374 4.334 3.960 0.000 0.000 0.213 445 G HA3 0.374 4.334 3.960 0.000 0.000 0.213 445 G C 0.000 174.956 174.900 0.094 0.000 1.143 445 G CA 0.031 45.240 45.100 0.182 0.000 0.764 445 G HN 0.559 nan 8.290 nan 0.000 0.542 446 L N 0.865 122.179 121.223 0.151 0.000 2.362 446 L HA 0.547 4.887 4.340 0.000 0.000 0.275 446 L C 0.504 177.448 176.870 0.124 0.000 0.998 446 L CA -0.769 54.147 54.840 0.127 0.000 0.820 446 L CB 2.083 44.188 42.059 0.075 0.000 1.270 446 L HN 0.232 nan 8.230 nan 0.000 0.415 447 I N -2.643 118.004 120.570 0.128 0.000 4.779 447 I HA 0.248 4.418 4.170 0.000 0.000 0.339 447 I C 0.209 176.383 176.117 0.096 0.000 1.293 447 I CA -0.083 61.277 61.300 0.100 0.000 1.324 447 I CB 1.050 39.112 38.000 0.104 0.000 1.424 447 I HN 0.328 nan 8.210 nan 0.000 0.489 448 S N 3.370 119.127 115.700 0.095 0.000 2.548 448 S HA 0.531 5.001 4.470 0.000 0.000 0.277 448 S C -0.341 174.316 174.600 0.094 0.000 1.315 448 S CA -0.306 57.972 58.200 0.129 0.000 1.050 448 S CB 0.441 63.665 63.200 0.040 0.000 0.918 448 S HN 0.753 nan 8.310 nan 0.000 0.497 449 N N -0.173 118.621 118.700 0.156 0.000 3.185 449 N HA 0.165 4.905 4.740 0.000 0.000 0.238 449 N C 0.339 175.730 175.510 -0.199 0.000 1.451 449 N CA -0.911 52.154 53.050 0.025 0.000 0.888 449 N CB 0.519 38.962 38.487 -0.074 0.000 1.413 449 N HN 0.404 nan 8.380 nan 0.000 0.511 450 E N -0.328 119.508 120.200 -0.606 0.000 2.150 450 E HA -0.130 4.220 4.350 0.000 0.000 0.193 450 E C 0.929 176.875 176.600 -1.090 0.000 0.985 450 E CA 1.494 57.209 56.400 -1.141 0.000 0.814 450 E CB -0.156 28.823 29.700 -1.202 0.000 0.752 450 E HN 0.362 nan 8.360 nan 0.000 0.466 451 V N 0.704 120.050 119.914 -0.947 0.000 3.649 451 V HA 0.318 4.438 4.120 0.000 0.000 0.275 451 V C 0.709 176.608 176.094 -0.324 0.000 1.281 451 V CA 0.535 62.285 62.300 -0.917 0.000 1.143 451 V CB -0.353 30.981 31.823 -0.815 0.000 0.892 451 V HN 0.364 nan 8.190 nan 0.000 0.441 452 A N 2.525 125.236 122.820 -0.181 0.000 2.274 452 A HA 0.710 5.030 4.320 0.000 0.000 0.309 452 A C -2.549 175.102 177.584 0.111 0.000 1.226 452 A CA -1.715 50.323 52.037 0.002 0.000 0.853 452 A CB 0.393 19.414 19.000 0.036 0.000 1.146 452 A HN 0.322 nan 8.150 nan 0.000 0.518 453 P HA 0.086 nan 4.420 nan 0.000 0.269 453 P C -0.967 176.423 177.300 0.149 0.000 1.263 453 P CA 0.444 63.648 63.100 0.174 0.000 0.813 453 P CB -0.043 31.734 31.700 0.129 0.000 0.868 454 F N 4.579 124.570 119.950 0.069 0.000 2.404 454 F HA 0.658 5.185 4.527 0.000 0.000 0.354 454 F C 0.304 176.111 175.800 0.012 0.000 1.122 454 F CA 0.472 58.496 58.000 0.040 0.000 1.080 454 F CB 1.156 40.200 39.000 0.073 0.000 1.131 454 F HN 0.536 nan 8.300 nan 0.000 0.471 455 G N 2.911 111.403 108.800 -0.514 0.000 2.338 455 G HA2 0.465 4.425 3.960 0.000 0.000 0.295 455 G HA3 0.465 4.425 3.960 0.000 0.000 0.295 455 G C -1.451 173.237 174.900 -0.353 0.000 1.461 455 G CA -0.278 44.618 45.100 -0.339 0.000 0.817 455 G HN 0.992 nan 8.290 nan 0.000 0.556 456 G N -1.729 106.938 108.800 -0.220 0.000 2.667 456 G HA2 0.941 4.901 3.960 0.000 0.000 0.310 456 G HA3 0.941 4.901 3.960 0.000 0.000 0.310 456 G C -0.165 174.662 174.900 -0.122 0.000 1.259 456 G CA 0.057 45.059 45.100 -0.164 0.000 1.019 456 G HN 1.866 nan 8.290 nan 0.000 0.496 457 V N -2.943 116.898 119.914 -0.123 0.000 3.113 457 V HA 0.880 5.000 4.120 0.000 0.000 0.316 457 V C 0.477 176.499 176.094 -0.119 0.000 1.125 457 V CA -0.434 61.791 62.300 -0.126 0.000 1.026 457 V CB 1.126 32.858 31.823 -0.153 0.000 1.080 457 V HN 1.112 nan 8.190 nan 0.000 0.444 458 K N -0.527 119.803 120.400 -0.117 0.000 1.941 458 K HA -0.218 4.102 4.320 0.000 0.000 0.187 458 K C 1.086 177.630 176.600 -0.094 0.000 1.490 458 K CA 1.569 57.782 56.287 -0.124 0.000 0.446 458 K CB -1.309 31.088 32.500 -0.172 0.000 0.688 458 K HN 0.803 nan 8.250 nan 0.000 0.803 459 Q N 0.649 120.377 119.800 -0.121 0.000 2.482 459 Q HA 0.085 4.425 4.340 0.000 0.000 0.209 459 Q C 1.322 177.387 176.000 0.110 0.000 0.961 459 Q CA 0.953 56.704 55.803 -0.086 0.000 0.945 459 Q CB 0.388 28.932 28.738 -0.324 0.000 1.012 459 Q HN 0.373 nan 8.270 nan 0.000 0.515 460 S N -0.111 115.659 115.700 0.116 0.000 2.561 460 S HA 0.240 4.710 4.470 0.000 0.000 0.225 460 S C 0.886 175.522 174.600 0.060 0.000 0.977 460 S CA 0.517 58.796 58.200 0.132 0.000 0.926 460 S CB 0.199 63.438 63.200 0.065 0.000 0.769 460 S HN 0.623 nan 8.310 nan 0.000 0.533 461 G N 0.899 109.719 108.800 0.032 0.000 2.434 461 G HA2 0.068 4.028 3.960 0.000 0.000 0.671 461 G HA3 0.068 4.028 3.960 0.000 0.000 0.671 461 G C -1.445 173.449 174.900 -0.010 0.000 1.280 461 G CA -0.627 44.489 45.100 0.027 0.000 0.975 461 G HN 0.649 nan 8.290 nan 0.000 0.510 462 L N -2.492 118.728 121.223 -0.004 0.000 2.370 462 L HA 1.034 5.374 4.340 0.000 0.000 0.266 462 L C 0.631 177.490 176.870 -0.018 0.000 1.002 462 L CA -0.042 54.783 54.840 -0.024 0.000 0.818 462 L CB 1.832 43.874 42.059 -0.028 0.000 1.325 462 L HN 2.883 nan 8.230 nan 0.000 0.418 463 G N 0.798 109.579 108.800 -0.032 0.000 2.629 463 G HA2 0.133 4.093 3.960 0.000 0.000 0.686 463 G HA3 0.133 4.093 3.960 0.000 0.000 0.686 463 G C -1.329 173.568 174.900 -0.006 0.000 1.232 463 G CA -1.017 44.071 45.100 -0.019 0.000 0.803 463 G HN 0.756 nan 8.290 nan 0.000 0.638 464 R N 0.352 120.868 120.500 0.026 0.000 2.807 464 R HA 0.728 5.068 4.340 0.000 0.000 0.276 464 R C -0.384 176.024 176.300 0.179 0.000 0.979 464 R CA -0.725 55.420 56.100 0.075 0.000 0.928 464 R CB 2.100 32.410 30.300 0.017 0.000 1.191 464 R HN 0.739 nan 8.270 nan 0.000 0.471 465 E N -0.404 119.949 120.200 0.254 0.000 2.317 465 E HA 0.606 4.956 4.350 0.000 0.000 0.270 465 E C -0.552 176.298 176.600 0.416 0.000 0.885 465 E CA -0.479 56.116 56.400 0.325 0.000 0.760 465 E CB 2.512 32.339 29.700 0.212 0.000 1.227 465 E HN 0.784 nan 8.360 nan 0.000 0.434 466 G N 1.625 110.796 108.800 0.618 0.000 2.685 466 G HA2 -0.003 3.957 3.960 0.000 0.000 0.387 466 G HA3 -0.003 3.957 3.960 0.000 0.000 0.387 466 G C 0.026 175.093 174.900 0.278 0.000 1.324 466 G CA -0.150 45.223 45.100 0.455 0.000 0.878 466 G HN 1.582 nan 8.290 nan 0.000 0.527 467 S N -2.198 113.494 115.700 -0.012 0.000 3.007 467 S HA -0.325 4.145 4.470 0.000 0.000 0.633 467 S C 1.320 176.134 174.600 0.356 0.000 3.004 467 S CA 2.054 60.320 58.200 0.110 0.000 3.245 467 S CB -1.089 62.188 63.200 0.128 0.000 0.331 467 S HN 2.751 nan 8.310 nan 0.000 1.768 468 H N 0.238 119.418 119.070 0.183 0.000 2.548 468 H HA 0.077 4.633 4.556 0.000 0.000 0.268 468 H C 1.658 177.053 175.328 0.112 0.000 0.975 468 H CA 1.381 57.494 56.048 0.107 0.000 1.195 468 H CB -0.567 29.155 29.762 -0.065 0.000 1.397 468 H HN 0.679 nan 8.280 nan 0.000 0.572 469 Y N 1.904 122.057 120.300 -0.245 0.000 2.439 469 Y HA 0.106 4.656 4.550 0.000 0.000 0.292 469 Y C 2.697 178.682 175.900 0.140 0.000 1.130 469 Y CA 0.983 59.014 58.100 -0.115 0.000 1.254 469 Y CB -0.187 38.174 38.460 -0.165 0.000 1.000 469 Y HN 0.387 nan 8.280 nan 0.000 0.554 470 G N -0.962 108.108 108.800 0.450 0.000 3.181 470 G HA2 0.034 3.994 3.960 0.000 0.000 0.219 470 G HA3 0.034 3.994 3.960 0.000 0.000 0.219 470 G C 1.160 176.392 174.900 0.554 0.000 1.182 470 G CA 0.173 45.597 45.100 0.539 0.000 0.791 470 G HN 0.507 nan 8.290 nan 0.000 0.537 471 I N -1.562 119.318 120.570 0.516 0.000 4.403 471 I HA 0.171 4.341 4.170 0.000 0.000 0.331 471 I C 0.969 177.307 176.117 0.369 0.000 1.327 471 I CA 0.054 61.629 61.300 0.458 0.000 1.175 471 I CB 0.588 38.848 38.000 0.433 0.000 1.165 471 I HN -0.129 nan 8.210 nan 0.000 0.413 472 D N 1.540 122.112 120.400 0.287 0.000 2.178 472 D HA -0.174 4.466 4.640 0.000 0.000 0.201 472 D C 1.283 177.658 176.300 0.125 0.000 0.980 472 D CA 1.226 55.346 54.000 0.200 0.000 0.842 472 D CB -0.019 40.898 40.800 0.195 0.000 0.948 472 D HN 0.405 nan 8.370 nan 0.000 0.472 473 D N -0.299 120.133 120.400 0.054 0.000 2.183 473 D HA -0.121 4.519 4.640 0.000 0.000 0.203 473 D C 1.743 177.932 176.300 -0.185 0.000 0.969 473 D CA 0.647 54.570 54.000 -0.129 0.000 0.842 473 D CB -0.351 40.263 40.800 -0.311 0.000 0.957 473 D HN 0.369 nan 8.370 nan 0.000 0.484 474 Y N 0.731 121.060 120.300 0.048 0.000 2.516 474 Y HA 0.007 4.557 4.550 0.000 0.000 0.291 474 Y C 1.190 177.130 175.900 0.067 0.000 1.131 474 Y CA -0.077 58.046 58.100 0.038 0.000 1.281 474 Y CB 0.029 38.504 38.460 0.025 0.000 1.013 474 Y HN -0.192 nan 8.280 nan 0.000 0.554 475 V N -2.001 118.034 119.914 0.202 0.000 2.612 475 V HA 0.605 4.725 4.120 0.000 0.000 0.301 475 V C -0.169 175.994 176.094 0.116 0.000 1.046 475 V CA -1.314 61.085 62.300 0.165 0.000 0.946 475 V CB 1.729 33.649 31.823 0.161 0.000 1.003 475 V HN -0.210 nan 8.190 nan 0.000 0.459 476 V N 4.927 124.912 119.914 0.118 0.000 2.850 476 V HA 0.664 4.784 4.120 0.000 0.000 0.315 476 V C -0.140 176.013 176.094 0.098 0.000 1.064 476 V CA -0.639 61.719 62.300 0.096 0.000 0.979 476 V CB 1.929 33.811 31.823 0.099 0.000 1.039 476 V HN 1.052 nan 8.190 nan 0.000 0.452 477 I N 1.808 122.430 120.570 0.088 0.000 2.433 477 I HA 0.650 4.820 4.170 0.000 0.000 0.292 477 I C -0.734 175.442 176.117 0.099 0.000 1.001 477 I CA -0.520 60.835 61.300 0.091 0.000 1.119 477 I CB 1.489 39.540 38.000 0.085 0.000 1.289 477 I HN 0.541 nan 8.210 nan 0.000 0.438 478 K N 5.504 125.965 120.400 0.101 0.000 2.323 478 K HA 0.327 4.647 4.320 0.000 0.000 0.259 478 K C -1.824 174.862 176.600 0.143 0.000 0.947 478 K CA -0.761 55.588 56.287 0.104 0.000 0.819 478 K CB 1.407 33.947 32.500 0.067 0.000 1.109 478 K HN 0.721 nan 8.250 nan 0.000 0.429 479 Y N 6.020 126.335 120.300 0.025 0.000 2.367 479 Y HA 0.355 4.905 4.550 0.000 0.000 0.342 479 Y C -1.511 174.398 175.900 0.016 0.000 0.979 479 Y CA -0.856 57.256 58.100 0.020 0.000 1.161 479 Y CB 0.531 39.003 38.460 0.020 0.000 1.155 479 Y HN 0.429 nan 8.280 nan 0.000 0.503 480 L N 7.646 128.705 121.223 -0.274 0.000 2.280 480 L HA 0.397 4.737 4.340 0.000 0.000 0.287 480 L C -0.581 176.000 176.870 -0.480 0.000 1.023 480 L CA -0.704 53.920 54.840 -0.360 0.000 0.819 480 L CB 1.218 43.196 42.059 -0.135 0.000 1.212 480 L HN 0.745 nan 8.230 nan 0.000 0.420 481 C N 5.400 124.338 119.300 -0.603 0.000 2.239 481 C HA 0.685 5.145 4.460 0.000 0.000 0.323 481 C C 0.118 175.013 174.990 -0.158 0.000 1.205 481 C CA -0.410 58.404 59.018 -0.341 0.000 1.584 481 C CB 0.073 27.610 27.740 -0.338 0.000 2.201 481 C HN 0.599 nan 8.230 nan 0.000 0.475 482 V N 6.430 126.295 119.914 -0.081 0.000 2.435 482 V HA 0.639 4.759 4.120 0.000 0.000 0.290 482 V C 0.799 176.877 176.094 -0.026 0.000 1.030 482 V CA -0.454 61.815 62.300 -0.052 0.000 0.881 482 V CB 1.345 33.144 31.823 -0.040 0.000 0.983 482 V HN 1.057 nan 8.190 nan 0.000 0.445 483 A N 4.244 127.050 122.820 -0.023 0.000 2.450 483 A HA 0.498 4.818 4.320 0.000 0.000 0.255 483 A C 0.339 177.919 177.584 -0.008 0.000 1.096 483 A CA 0.069 52.099 52.037 -0.012 0.000 0.778 483 A CB 0.622 19.615 19.000 -0.012 0.000 1.031 483 A HN 0.965 nan 8.150 nan 0.000 0.494 484 V N 0.000 119.912 119.914 -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 62.299 62.300 -0.001 0.000 1.235 484 V CB 0.000 31.825 31.823 0.002 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556