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_S 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 -0.056 0.000 0.946 3 G CA 0.000 45.059 45.100 -0.068 0.000 0.502 4 S N 1.779 117.446 115.700 -0.054 0.000 2.738 4 S HA 0.638 5.108 4.470 0.000 0.000 0.227 4 S C -0.078 174.494 174.600 -0.046 0.000 1.311 4 S CA -0.081 58.093 58.200 -0.043 0.000 1.249 4 S CB -0.440 62.740 63.200 -0.033 0.000 1.030 4 S HN 0.283 nan 8.310 nan 0.000 0.512 5 M N 0.604 120.171 119.600 -0.055 0.000 2.518 5 M HA 0.372 4.852 4.480 0.000 0.000 0.300 5 M C 0.514 176.785 176.300 -0.049 0.000 1.175 5 M CA -0.647 54.619 55.300 -0.057 0.000 0.890 5 M CB 2.274 34.826 32.600 -0.079 0.000 1.710 5 M HN -0.005 nan 8.290 nan 0.000 0.453 6 K N 0.211 120.588 120.400 -0.038 0.000 2.147 6 K HA -0.107 4.213 4.320 0.000 0.000 0.205 6 K C 0.108 176.688 176.600 -0.034 0.000 1.049 6 K CA 1.114 57.384 56.287 -0.029 0.000 0.936 6 K CB 0.119 32.608 32.500 -0.018 0.000 0.722 6 K HN 0.434 nan 8.250 nan 0.000 0.446 7 D N -0.613 119.758 120.400 -0.048 0.000 2.405 7 D HA 0.113 4.753 4.640 0.000 0.000 0.264 7 D C -2.231 173.999 176.300 -0.116 0.000 1.240 7 D CA -2.070 51.893 54.000 -0.061 0.000 0.893 7 D CB 1.140 41.922 40.800 -0.030 0.000 1.198 7 D HN -0.153 nan 8.370 nan 0.000 0.514 8 P HA -0.042 nan 4.420 nan 0.000 0.231 8 P C 1.138 178.294 177.300 -0.240 0.000 1.158 8 P CA 0.377 63.380 63.100 -0.162 0.000 0.763 8 P CB 0.404 32.029 31.700 -0.124 0.000 0.805 9 S N -0.349 115.187 115.700 -0.274 0.000 2.474 9 S HA -0.010 4.460 4.470 0.000 0.000 0.235 9 S C 1.750 175.876 174.600 -0.790 0.000 0.997 9 S CA 0.550 58.469 58.200 -0.468 0.000 0.949 9 S CB -0.864 62.110 63.200 -0.377 0.000 0.766 9 S HN 0.187 nan 8.310 nan 0.000 0.517 10 L N 0.577 121.481 121.223 -0.532 0.000 2.201 10 L HA 0.025 4.365 4.340 0.000 0.000 0.212 10 L C 0.712 177.340 176.870 -0.402 0.000 1.105 10 L CA 0.412 54.982 54.840 -0.449 0.000 0.775 10 L CB -0.169 41.772 42.059 -0.197 0.000 0.913 10 L HN 0.261 nan 8.230 nan 0.000 0.440 11 L N 1.751 122.729 121.223 -0.409 0.000 2.334 11 L HA 0.188 4.528 4.340 0.000 0.000 0.286 11 L C 0.052 176.610 176.870 -0.519 0.000 1.108 11 L CA 0.099 54.653 54.840 -0.476 0.000 0.875 11 L CB -0.161 41.601 42.059 -0.494 0.000 1.246 11 L HN -0.009 nan 8.230 nan 0.000 0.439 12 R N 3.870 124.114 120.500 -0.426 0.000 2.404 12 R HA 0.311 4.651 4.340 0.000 0.000 0.291 12 R C 0.008 176.139 176.300 -0.282 0.000 1.025 12 R CA -0.359 55.521 56.100 -0.366 0.000 0.991 12 R CB 0.622 30.728 30.300 -0.323 0.000 1.053 12 R HN 0.590 nan 8.270 nan 0.000 0.479 13 H N 0.827 119.879 119.070 -0.030 0.000 2.512 13 H HA 0.281 4.837 4.556 0.000 0.000 0.276 13 H C -0.171 175.191 175.328 0.056 0.000 1.126 13 H CA -0.026 56.056 56.048 0.056 0.000 1.060 13 H CB 1.300 31.053 29.762 -0.015 0.000 1.646 13 H HN 0.412 nan 8.280 nan 0.000 0.571 14 Q N -0.026 119.888 119.800 0.190 0.000 2.495 14 Q HA 0.677 5.017 4.340 0.000 0.000 0.287 14 Q C -0.739 175.508 176.000 0.412 0.000 1.078 14 Q CA -0.923 55.045 55.803 0.274 0.000 0.793 14 Q CB 3.167 32.108 28.738 0.337 0.000 1.459 14 Q HN 0.267 nan 8.270 nan 0.000 0.422 15 A N 0.542 123.546 122.820 0.307 0.000 2.257 15 A HA 0.464 4.784 4.320 0.000 0.000 0.289 15 A C -1.601 176.116 177.584 0.222 0.000 1.095 15 A CA -0.026 52.160 52.037 0.248 0.000 0.836 15 A CB 0.421 19.492 19.000 0.119 0.000 1.111 15 A HN 0.630 nan 8.150 nan 0.000 0.497 16 Y N 1.255 121.451 120.300 -0.173 0.000 2.388 16 Y HA 0.512 5.062 4.550 0.000 0.000 0.328 16 Y C -0.983 174.724 175.900 -0.322 0.000 0.963 16 Y CA -1.405 56.380 58.100 -0.525 0.000 1.240 16 Y CB 1.010 38.997 38.460 -0.788 0.000 1.118 16 Y HN 0.371 nan 8.280 nan 0.000 0.484 17 I N 5.422 125.688 120.570 -0.506 0.000 2.420 17 I HA 0.334 4.504 4.170 0.000 0.000 0.282 17 I C 0.932 176.785 176.117 -0.441 0.000 1.019 17 I CA -0.609 60.478 61.300 -0.355 0.000 1.130 17 I CB 0.860 38.753 38.000 -0.179 0.000 1.262 17 I HN 0.873 nan 8.210 nan 0.000 0.454 18 G N 4.567 113.110 108.800 -0.429 0.000 2.225 18 G HA2 -0.131 3.829 3.960 0.000 0.000 0.267 18 G HA3 -0.131 3.829 3.960 0.000 0.000 0.267 18 G C 1.017 175.617 174.900 -0.500 0.000 1.024 18 G CA 0.671 45.548 45.100 -0.370 0.000 0.784 18 G HN 1.658 nan 8.290 nan 0.000 0.507 19 G N -1.732 106.501 108.800 -0.945 0.000 2.157 19 G HA2 -0.192 3.768 3.960 0.000 0.000 0.248 19 G HA3 -0.192 3.768 3.960 0.000 0.000 0.248 19 G C -0.034 174.364 174.900 -0.837 0.000 0.979 19 G CA 0.903 45.380 45.100 -1.038 0.000 0.650 19 G HN 1.011 nan 8.290 nan 0.000 0.529 20 E N -1.130 118.594 120.200 -0.793 0.000 2.212 20 E HA 0.490 4.840 4.350 0.000 0.000 0.268 20 E C -0.745 175.647 176.600 -0.347 0.000 0.902 20 E CA -1.102 55.072 56.400 -0.377 0.000 0.779 20 E CB 1.082 30.670 29.700 -0.186 0.000 1.172 20 E HN 0.268 nan 8.360 nan 0.000 0.409 21 W N 2.664 124.025 121.300 0.101 0.000 2.387 21 W HA 0.222 4.882 4.660 0.000 0.000 0.310 21 W C 0.326 176.893 176.519 0.079 0.000 1.181 21 W CA -0.235 57.207 57.345 0.162 0.000 1.333 21 W CB 0.664 30.244 29.460 0.200 0.000 1.286 21 W HN 0.239 nan 8.180 nan 0.000 0.455 22 Q N 1.929 121.875 119.800 0.244 0.000 2.458 22 Q HA 0.821 5.161 4.340 0.000 0.000 0.282 22 Q C -0.479 175.600 176.000 0.132 0.000 1.106 22 Q CA -1.093 54.792 55.803 0.137 0.000 0.814 22 Q CB 2.451 31.216 28.738 0.046 0.000 1.425 22 Q HN 0.524 nan 8.270 nan 0.000 0.437 23 A N 0.495 123.368 122.820 0.088 0.000 2.288 23 A HA 0.840 5.160 4.320 0.000 0.000 0.328 23 A C -0.676 176.935 177.584 0.046 0.000 1.123 23 A CA -0.359 51.717 52.037 0.066 0.000 0.861 23 A CB 0.828 19.860 19.000 0.053 0.000 1.272 23 A HN 0.746 nan 8.150 nan 0.000 0.490 24 A N -0.045 122.799 122.820 0.038 0.000 2.483 24 A HA 0.314 4.634 4.320 0.000 0.000 0.238 24 A C 0.473 178.075 177.584 0.030 0.000 1.070 24 A CA 0.132 52.191 52.037 0.036 0.000 0.770 24 A CB -0.125 18.899 19.000 0.041 0.000 1.008 24 A HN 0.738 nan 8.150 nan 0.000 0.497 25 D N 0.896 121.311 120.400 0.025 0.000 2.263 25 D HA -0.107 4.533 4.640 0.000 0.000 0.208 25 D C 1.882 178.194 176.300 0.020 0.000 0.971 25 D CA 1.976 55.988 54.000 0.020 0.000 0.867 25 D CB 0.036 40.845 40.800 0.015 0.000 0.929 25 D HN 0.633 nan 8.370 nan 0.000 0.492 26 S N -1.024 114.690 115.700 0.024 0.000 2.539 26 S HA 0.086 4.556 4.470 0.000 0.000 0.221 26 S C 0.645 175.259 174.600 0.024 0.000 0.987 26 S CA 0.271 58.486 58.200 0.023 0.000 0.929 26 S CB 0.818 64.034 63.200 0.026 0.000 0.832 26 S HN -0.014 nan 8.310 nan 0.000 0.492 27 D N 0.605 121.020 120.400 0.025 0.000 3.079 27 D HA -0.174 4.466 4.640 0.000 0.000 0.214 27 D C 0.234 176.548 176.300 0.024 0.000 1.145 27 D CA 0.891 54.905 54.000 0.022 0.000 0.958 27 D CB -1.538 39.272 40.800 0.017 0.000 1.117 27 D HN 0.844 nan 8.370 nan 0.000 0.416 28 A N 0.092 122.933 122.820 0.035 0.000 2.511 28 A HA 0.506 4.826 4.320 0.000 0.000 0.242 28 A C 0.886 178.497 177.584 0.045 0.000 1.069 28 A CA 0.979 53.045 52.037 0.048 0.000 0.763 28 A CB 0.359 19.398 19.000 0.065 0.000 1.001 28 A HN 0.542 nan 8.150 nan 0.000 0.498 29 T N -0.504 114.075 114.554 0.041 0.000 2.901 29 T HA 0.776 5.126 4.350 0.000 0.000 0.293 29 T C -0.492 174.253 174.700 0.075 0.000 1.084 29 T CA -0.567 61.524 62.100 -0.015 0.000 1.008 29 T CB 1.356 70.185 68.868 -0.065 0.000 1.170 29 T HN 1.153 nan 8.240 nan 0.000 0.509 30 F N -1.245 118.700 119.950 -0.009 0.000 2.577 30 F HA 0.823 5.350 4.527 0.000 0.000 0.318 30 F C -0.316 175.440 175.800 -0.072 0.000 1.065 30 F CA -1.351 56.634 58.000 -0.024 0.000 0.929 30 F CB 1.449 40.439 39.000 -0.016 0.000 1.237 30 F HN 0.716 nan 8.300 nan 0.000 0.468 31 E N 1.552 121.795 120.200 0.072 0.000 2.249 31 E HA 0.531 4.881 4.350 0.000 0.000 0.280 31 E C -1.328 175.068 176.600 -0.339 0.000 1.016 31 E CA -0.854 55.410 56.400 -0.227 0.000 0.830 31 E CB 1.837 31.321 29.700 -0.360 0.000 1.081 31 E HN 0.625 nan 8.360 nan 0.000 0.395 32 V N 5.044 124.735 119.914 -0.371 0.000 2.472 32 V HA 0.359 4.479 4.120 0.000 0.000 0.290 32 V C -0.566 175.288 176.094 -0.400 0.000 1.037 32 V CA -0.382 61.769 62.300 -0.249 0.000 0.908 32 V CB 0.615 32.367 31.823 -0.117 0.000 0.985 32 V HN 0.515 nan 8.190 nan 0.000 0.454 33 F N 1.511 121.500 119.950 0.065 0.000 2.538 33 F HA 0.443 4.970 4.527 0.000 0.000 0.325 33 F C 0.274 176.074 175.800 0.001 0.000 1.066 33 F CA -1.017 56.999 58.000 0.027 0.000 0.946 33 F CB 1.241 40.237 39.000 -0.006 0.000 1.199 33 F HN 0.404 nan 8.300 nan 0.000 0.473 34 D N 3.718 124.226 120.400 0.181 0.000 2.325 34 D HA 0.167 4.807 4.640 0.000 0.000 0.251 34 D C -1.656 174.629 176.300 -0.025 0.000 1.196 34 D CA -2.237 51.797 54.000 0.057 0.000 0.866 34 D CB 1.555 42.372 40.800 0.030 0.000 1.101 34 D HN 0.146 nan 8.370 nan 0.000 0.476 35 P HA -0.071 nan 4.420 nan 0.000 0.223 35 P C 0.766 177.917 177.300 -0.249 0.000 1.151 35 P CA 0.615 63.624 63.100 -0.152 0.000 0.787 35 P CB 0.359 31.955 31.700 -0.173 0.000 0.788 36 A N 0.275 122.968 122.820 -0.213 0.000 1.911 36 A HA -0.025 4.295 4.320 0.000 0.000 0.212 36 A C 2.194 179.726 177.584 -0.087 0.000 1.189 36 A CA 2.048 53.994 52.037 -0.151 0.000 0.639 36 A CB -1.326 17.718 19.000 0.073 0.000 0.839 36 A HN 0.345 nan 8.150 nan 0.000 0.449 37 T N -5.464 108.973 114.554 -0.196 0.000 3.023 37 T HA 0.416 4.766 4.350 0.000 0.000 0.249 37 T C 1.496 175.857 174.700 -0.565 0.000 1.050 37 T CA 1.211 63.154 62.100 -0.261 0.000 1.088 37 T CB 0.272 69.108 68.868 -0.053 0.000 0.946 37 T HN 1.673 nan 8.240 nan 0.000 0.480 38 G N 2.311 110.859 108.800 -0.420 0.000 2.176 38 G HA2 -0.231 3.729 3.960 0.000 0.000 0.253 38 G HA3 -0.231 3.729 3.960 0.000 0.000 0.253 38 G C -0.150 174.743 174.900 -0.012 0.000 0.979 38 G CA 0.216 45.148 45.100 -0.280 0.000 0.641 38 G HN 1.009 nan 8.290 nan 0.000 0.530 39 E N 0.261 120.490 120.200 0.049 0.000 2.283 39 E HA 0.623 4.973 4.350 0.000 0.000 0.271 39 E C 0.053 176.788 176.600 0.225 0.000 1.031 39 E CA -0.197 56.286 56.400 0.138 0.000 0.868 39 E CB 1.477 31.217 29.700 0.067 0.000 1.094 39 E HN 0.190 nan 8.360 nan 0.000 0.401 40 S N 0.330 116.155 115.700 0.209 0.000 2.549 40 S HA 0.192 4.662 4.470 0.000 0.000 0.283 40 S C 0.577 175.187 174.600 0.018 0.000 1.320 40 S CA -0.003 58.239 58.200 0.069 0.000 1.058 40 S CB 0.209 63.423 63.200 0.023 0.000 0.882 40 S HN 0.589 nan 8.310 nan 0.000 0.498 41 L N 3.533 124.753 121.223 -0.004 0.000 2.700 41 L HA 0.654 4.994 4.340 0.000 0.000 0.234 41 L C 1.322 178.269 176.870 0.130 0.000 1.156 41 L CA 0.522 55.396 54.840 0.056 0.000 0.946 41 L CB -1.680 40.474 42.059 0.159 0.000 1.216 41 L HN 1.354 nan 8.230 nan 0.000 0.493 42 G N -0.575 108.251 108.800 0.043 0.000 2.587 42 G HA2 0.161 4.121 3.960 0.000 0.000 0.212 42 G HA3 0.161 4.121 3.960 0.000 0.000 0.212 42 G C 0.102 175.046 174.900 0.074 0.000 1.327 42 G CA 0.345 45.477 45.100 0.053 0.000 0.898 42 G HN 1.916 nan 8.290 nan 0.000 0.551 43 T N -2.480 112.140 114.554 0.111 0.000 2.942 43 T HA 0.913 5.263 4.350 0.000 0.000 0.289 43 T C 0.119 174.837 174.700 0.030 0.000 1.044 43 T CA 0.111 62.203 62.100 -0.014 0.000 1.023 43 T CB 1.780 70.600 68.868 -0.080 0.000 1.123 43 T HN 2.215 nan 8.240 nan 0.000 0.512 44 V N -2.154 117.580 119.914 -0.301 0.000 2.962 44 V HA 0.799 4.919 4.120 0.000 0.000 0.313 44 V C -2.965 172.888 176.094 -0.402 0.000 1.099 44 V CA -3.070 59.032 62.300 -0.330 0.000 0.971 44 V CB 1.633 33.149 31.823 -0.512 0.000 1.028 44 V HN 0.862 nan 8.190 nan 0.000 0.430 45 P HA 0.208 nan 4.420 nan 0.000 0.271 45 P C -1.049 176.207 177.300 -0.073 0.000 1.218 45 P CA -0.153 62.891 63.100 -0.093 0.000 0.780 45 P CB 0.842 32.545 31.700 0.004 0.000 0.901 46 K N 3.412 123.844 120.400 0.053 0.000 2.360 46 K HA 0.295 4.615 4.320 0.000 0.000 0.235 46 K C 0.166 176.849 176.600 0.138 0.000 1.077 46 K CA -0.342 56.080 56.287 0.225 0.000 1.035 46 K CB -0.232 32.462 32.500 0.323 0.000 1.623 46 K HN 0.405 nan 8.250 nan 0.000 0.462 47 M N 0.499 120.170 119.600 0.118 0.000 2.114 47 M HA 0.387 4.867 4.480 0.000 0.000 0.280 47 M C 0.895 177.235 176.300 0.066 0.000 1.209 47 M CA -0.021 55.324 55.300 0.075 0.000 1.044 47 M CB 1.179 33.814 32.600 0.058 0.000 1.404 47 M HN 0.660 nan 8.290 nan 0.000 0.499 48 G N -1.171 107.654 108.800 0.042 0.000 2.933 48 G HA2 0.557 4.518 3.960 0.000 0.000 0.203 48 G HA3 0.557 4.518 3.960 0.000 0.000 0.203 48 G C 0.116 175.027 174.900 0.017 0.000 1.170 48 G CA 0.087 45.205 45.100 0.030 0.000 0.880 48 G HN 0.715 nan 8.290 nan 0.000 0.573 49 A N -0.346 122.480 122.820 0.011 0.000 1.873 49 A HA 0.318 4.638 4.320 0.000 0.000 0.215 49 A C 2.725 180.309 177.584 -0.000 0.000 1.186 49 A CA 2.906 54.945 52.037 0.003 0.000 0.616 49 A CB -1.107 17.894 19.000 0.001 0.000 0.823 49 A HN 1.573 nan 8.150 nan 0.000 0.442 50 A N -0.033 122.788 122.820 0.002 0.000 1.883 50 A HA -0.185 4.135 4.320 0.000 0.000 0.217 50 A C 1.889 179.470 177.584 -0.006 0.000 1.186 50 A CA 2.039 54.075 52.037 -0.001 0.000 0.624 50 A CB -0.575 18.426 19.000 0.002 0.000 0.822 50 A HN 0.529 nan 8.150 nan 0.000 0.444 51 E N -0.692 119.507 120.200 -0.002 0.000 2.150 51 E HA -0.065 4.285 4.350 0.000 0.000 0.193 51 E C 2.030 178.619 176.600 -0.018 0.000 0.985 51 E CA 1.572 57.967 56.400 -0.009 0.000 0.814 51 E CB -0.408 29.293 29.700 0.003 0.000 0.752 51 E HN 0.590 nan 8.360 nan 0.000 0.466 52 T N 0.323 114.870 114.554 -0.011 0.000 2.904 52 T HA -0.053 4.297 4.350 0.000 0.000 0.267 52 T C 1.942 176.627 174.700 -0.026 0.000 1.059 52 T CA 0.986 63.076 62.100 -0.016 0.000 1.137 52 T CB -0.227 68.638 68.868 -0.006 0.000 0.879 52 T HN 0.265 nan 8.240 nan 0.000 0.467 53 A N 2.223 125.031 122.820 -0.021 0.000 1.877 53 A HA -0.134 4.186 4.320 0.000 0.000 0.216 53 A C 2.396 179.961 177.584 -0.032 0.000 1.186 53 A CA 1.260 53.283 52.037 -0.024 0.000 0.620 53 A CB -0.467 18.523 19.000 -0.017 0.000 0.822 53 A HN 0.376 nan 8.150 nan 0.000 0.443 54 R N -0.562 119.918 120.500 -0.034 0.000 2.083 54 R HA -0.141 4.199 4.340 0.000 0.000 0.237 54 R C 2.495 178.756 176.300 -0.064 0.000 1.137 54 R CA 1.379 57.452 56.100 -0.045 0.000 0.951 54 R CB -0.597 29.675 30.300 -0.046 0.000 0.851 54 R HN 0.518 nan 8.270 nan 0.000 0.434 55 A N 1.216 123.993 122.820 -0.073 0.000 1.933 55 A HA -0.132 4.188 4.320 0.000 0.000 0.218 55 A C 2.186 179.719 177.584 -0.086 0.000 1.175 55 A CA 1.180 53.159 52.037 -0.097 0.000 0.628 55 A CB -0.455 18.487 19.000 -0.096 0.000 0.814 55 A HN 0.189 nan 8.150 nan 0.000 0.444 56 I N -0.661 119.870 120.570 -0.064 0.000 2.226 56 I HA -0.254 3.916 4.170 0.000 0.000 0.245 56 I C 2.479 178.565 176.117 -0.052 0.000 1.100 56 I CA 1.644 62.908 61.300 -0.059 0.000 1.374 56 I CB -0.291 37.681 38.000 -0.047 0.000 1.057 56 I HN 0.396 nan 8.210 nan 0.000 0.413 57 E N 0.543 120.717 120.200 -0.042 0.000 2.150 57 E HA -0.159 4.191 4.350 0.000 0.000 0.193 57 E C 2.279 178.861 176.600 -0.030 0.000 0.985 57 E CA 1.089 57.473 56.400 -0.028 0.000 0.814 57 E CB -0.110 29.577 29.700 -0.022 0.000 0.752 57 E HN 0.503 nan 8.360 nan 0.000 0.466 58 A N 1.059 123.846 122.820 -0.055 0.000 1.968 58 A HA -0.019 4.301 4.320 0.000 0.000 0.217 58 A C 2.318 179.864 177.584 -0.062 0.000 1.169 58 A CA 1.356 53.352 52.037 -0.068 0.000 0.638 58 A CB -0.436 18.497 19.000 -0.112 0.000 0.812 58 A HN 0.288 nan 8.150 nan 0.000 0.446 59 A N -0.789 121.987 122.820 -0.073 0.000 1.969 59 A HA -0.187 4.133 4.320 0.000 0.000 0.218 59 A C 2.162 179.744 177.584 -0.002 0.000 1.169 59 A CA 1.677 53.672 52.037 -0.071 0.000 0.635 59 A CB -0.476 18.460 19.000 -0.106 0.000 0.810 59 A HN 0.653 nan 8.150 nan 0.000 0.445 60 Q N -0.571 119.238 119.800 0.015 0.000 2.046 60 Q HA -0.098 4.242 4.340 0.000 0.000 0.200 60 Q C 2.249 178.338 176.000 0.149 0.000 0.975 60 Q CA 1.394 57.255 55.803 0.097 0.000 0.836 60 Q CB -0.331 28.445 28.738 0.063 0.000 0.896 60 Q HN 0.592 nan 8.270 nan 0.000 0.428 61 A N 0.587 123.454 122.820 0.078 0.000 1.978 61 A HA -0.149 4.171 4.320 0.000 0.000 0.220 61 A C 2.126 179.764 177.584 0.090 0.000 1.170 61 A CA 1.750 53.828 52.037 0.068 0.000 0.636 61 A CB -0.707 18.308 19.000 0.025 0.000 0.810 61 A HN 0.533 nan 8.150 nan 0.000 0.448 62 A N -2.280 120.597 122.820 0.094 0.000 2.072 62 A HA 0.055 4.375 4.320 0.000 0.000 0.216 62 A C 1.766 179.497 177.584 0.245 0.000 1.156 62 A CA 1.040 53.143 52.037 0.109 0.000 0.701 62 A CB -0.608 18.405 19.000 0.021 0.000 0.816 62 A HN 0.763 nan 8.150 nan 0.000 0.458 63 W N 1.214 122.550 121.300 0.060 0.000 2.332 63 W HA -0.205 4.455 4.660 0.000 0.000 0.321 63 W C 2.450 179.048 176.519 0.130 0.000 1.219 63 W CA 1.764 59.176 57.345 0.113 0.000 1.277 63 W CB -0.857 28.649 29.460 0.077 0.000 1.161 63 W HN 0.355 nan 8.180 nan 0.000 0.476 64 A N 0.640 123.494 122.820 0.056 0.000 1.873 64 A HA -0.161 4.159 4.320 0.000 0.000 0.218 64 A C 2.327 179.888 177.584 -0.039 0.000 1.193 64 A CA 2.826 54.785 52.037 -0.130 0.000 0.629 64 A CB -1.684 17.267 19.000 -0.082 0.000 0.826 64 A HN 0.436 nan 8.150 nan 0.000 0.447 65 G N -1.829 107.010 108.800 0.065 0.000 2.440 65 G HA2 -0.299 3.661 3.960 0.000 0.000 0.218 65 G HA3 -0.299 3.661 3.960 0.000 0.000 0.218 65 G C 1.559 176.550 174.900 0.150 0.000 1.154 65 G CA 0.958 46.112 45.100 0.091 0.000 0.767 65 G HN 0.708 nan 8.290 nan 0.000 0.552 66 W N 2.438 123.757 121.300 0.032 0.000 2.407 66 W HA -0.097 4.563 4.660 0.000 0.000 0.305 66 W C 2.824 179.371 176.519 0.047 0.000 1.196 66 W CA 1.360 58.742 57.345 0.061 0.000 1.311 66 W CB 0.009 29.544 29.460 0.124 0.000 1.135 66 W HN 0.324 nan 8.180 nan 0.000 0.514 67 R N 0.547 121.057 120.500 0.016 0.000 2.115 67 R HA -0.197 4.143 4.340 0.000 0.000 0.230 67 R C 2.275 178.462 176.300 -0.189 0.000 1.111 67 R CA 1.661 57.680 56.100 -0.135 0.000 0.976 67 R CB -1.319 28.870 30.300 -0.185 0.000 0.870 67 R HN 0.226 nan 8.270 nan 0.000 0.445 68 M N 1.438 120.943 119.600 -0.157 0.000 2.144 68 M HA -0.085 4.395 4.480 0.000 0.000 0.260 68 M C 0.105 176.319 176.300 -0.144 0.000 1.067 68 M CA 1.548 56.768 55.300 -0.133 0.000 1.095 68 M CB 0.036 32.581 32.600 -0.092 0.000 1.365 68 M HN 0.082 nan 8.290 nan 0.000 0.406 69 K N 1.335 121.617 120.400 -0.196 0.000 2.286 69 K HA 0.032 4.352 4.320 0.000 0.000 0.256 69 K C 0.462 176.932 176.600 -0.217 0.000 0.999 69 K CA 0.398 56.553 56.287 -0.221 0.000 0.908 69 K CB 0.261 32.556 32.500 -0.343 0.000 0.981 69 K HN 0.336 nan 8.250 nan 0.000 0.500 70 T N -1.831 112.621 114.554 -0.171 0.000 2.788 70 T HA 0.240 4.590 4.350 0.000 0.000 0.287 70 T C 1.306 175.906 174.700 -0.167 0.000 1.007 70 T CA -0.351 61.666 62.100 -0.139 0.000 1.005 70 T CB 1.362 70.173 68.868 -0.096 0.000 1.012 70 T HN 0.554 nan 8.240 nan 0.000 0.530 71 A N 0.665 123.412 122.820 -0.122 0.000 1.902 71 A HA -0.061 4.259 4.320 0.000 0.000 0.217 71 A C 2.376 179.908 177.584 -0.086 0.000 1.181 71 A CA 1.727 53.701 52.037 -0.104 0.000 0.623 71 A CB -0.905 18.057 19.000 -0.064 0.000 0.818 71 A HN 0.948 nan 8.150 nan 0.000 0.443 72 K N -0.336 120.021 120.400 -0.072 0.000 2.032 72 K HA -0.204 4.116 4.320 0.000 0.000 0.209 72 K C 1.999 178.570 176.600 -0.049 0.000 1.048 72 K CA 1.797 58.052 56.287 -0.052 0.000 0.927 72 K CB -0.175 32.298 32.500 -0.045 0.000 0.712 72 K HN 0.662 nan 8.250 nan 0.000 0.441 73 E N -0.066 120.088 120.200 -0.077 0.000 2.051 73 E HA -0.186 4.164 4.350 0.000 0.000 0.192 73 E C 2.166 178.719 176.600 -0.078 0.000 0.991 73 E CA 1.128 57.484 56.400 -0.074 0.000 0.799 73 E CB -0.002 29.636 29.700 -0.104 0.000 0.748 73 E HN 0.254 nan 8.360 nan 0.000 0.449 74 R N 0.359 120.750 120.500 -0.181 0.000 2.105 74 R HA -0.115 4.225 4.340 0.000 0.000 0.239 74 R C 2.317 178.655 176.300 0.063 0.000 1.135 74 R CA 1.086 57.079 56.100 -0.179 0.000 0.967 74 R CB -0.294 29.769 30.300 -0.395 0.000 0.861 74 R HN 0.109 nan 8.270 nan 0.000 0.442 75 A N 1.131 123.968 122.820 0.030 0.000 2.015 75 A HA -0.035 4.285 4.320 0.000 0.000 0.219 75 A C 2.328 179.965 177.584 0.089 0.000 1.163 75 A CA 1.424 53.501 52.037 0.067 0.000 0.646 75 A CB -0.391 18.617 19.000 0.014 0.000 0.806 75 A HN 0.384 nan 8.150 nan 0.000 0.448 76 A N 0.083 122.944 122.820 0.069 0.000 1.873 76 A HA -0.046 4.274 4.320 0.000 0.000 0.215 76 A C 2.000 179.668 177.584 0.140 0.000 1.186 76 A CA 1.577 53.666 52.037 0.086 0.000 0.616 76 A CB -0.583 18.451 19.000 0.057 0.000 0.823 76 A HN 0.414 nan 8.150 nan 0.000 0.442 77 I N -0.117 120.553 120.570 0.167 0.000 2.127 77 I HA -0.279 3.891 4.170 0.000 0.000 0.241 77 I C 2.399 178.688 176.117 0.288 0.000 1.075 77 I CA 1.374 62.809 61.300 0.224 0.000 1.334 77 I CB -0.407 37.773 38.000 0.300 0.000 1.040 77 I HN 0.269 nan 8.210 nan 0.000 0.405 78 L N -0.358 121.061 121.223 0.327 0.000 2.131 78 L HA -0.203 4.137 4.340 0.000 0.000 0.210 78 L C 2.666 179.768 176.870 0.386 0.000 1.092 78 L CA 1.221 56.315 54.840 0.423 0.000 0.759 78 L CB -0.507 41.784 42.059 0.386 0.000 0.903 78 L HN 0.179 nan 8.230 nan 0.000 0.435 79 R N -0.001 120.663 120.500 0.274 0.000 2.092 79 R HA -0.101 4.239 4.340 0.000 0.000 0.231 79 R C 2.474 178.982 176.300 0.346 0.000 1.119 79 R CA 1.047 57.313 56.100 0.277 0.000 0.970 79 R CB -0.008 30.390 30.300 0.164 0.000 0.864 79 R HN 0.223 nan 8.270 nan 0.000 0.440 80 R N -0.918 119.750 120.500 0.280 0.000 2.096 80 R HA -0.190 4.150 4.340 0.000 0.000 0.235 80 R C 1.872 178.357 176.300 0.308 0.000 1.127 80 R CA 1.510 57.756 56.100 0.243 0.000 0.968 80 R CB -0.410 30.003 30.300 0.188 0.000 0.861 80 R HN 0.353 nan 8.270 nan 0.000 0.440 81 W N 1.091 122.480 121.300 0.148 0.000 2.388 81 W HA -0.186 4.474 4.660 0.000 0.000 0.294 81 W C 1.844 178.459 176.519 0.159 0.000 1.212 81 W CA 0.599 58.022 57.345 0.131 0.000 1.271 81 W CB -0.733 28.806 29.460 0.131 0.000 1.126 81 W HN -0.018 nan 8.180 nan 0.000 0.535 82 F N 2.015 122.012 119.950 0.079 0.000 2.046 82 F HA -0.269 4.258 4.527 0.000 0.000 0.297 82 F C 2.146 177.943 175.800 -0.004 0.000 1.123 82 F CA 2.678 60.649 58.000 -0.048 0.000 1.199 82 F CB -0.907 38.101 39.000 0.013 0.000 0.972 82 F HN -0.257 nan 8.300 nan 0.000 0.474 83 D N 0.737 121.056 120.400 -0.134 0.000 2.158 83 D HA -0.197 4.443 4.640 0.000 0.000 0.197 83 D C 2.405 178.611 176.300 -0.157 0.000 0.995 83 D CA 1.746 55.612 54.000 -0.223 0.000 0.846 83 D CB -0.492 40.328 40.800 0.033 0.000 0.941 83 D HN 0.377 nan 8.370 nan 0.000 0.456 84 L N 0.151 121.360 121.223 -0.023 0.000 2.240 84 L HA -0.081 4.259 4.340 0.000 0.000 0.211 84 L C 2.475 179.340 176.870 -0.008 0.000 1.106 84 L CA 0.213 55.073 54.840 0.033 0.000 0.793 84 L CB 0.037 42.185 42.059 0.148 0.000 0.927 84 L HN -0.095 nan 8.230 nan 0.000 0.446 85 V N -0.255 119.604 119.914 -0.092 0.000 2.379 85 V HA -0.243 3.877 4.120 0.000 0.000 0.245 85 V C 2.364 178.368 176.094 -0.152 0.000 1.044 85 V CA 1.240 63.466 62.300 -0.123 0.000 1.036 85 V CB -0.174 31.510 31.823 -0.232 0.000 0.664 85 V HN 0.255 nan 8.190 nan 0.000 0.453 86 I N 0.675 121.078 120.570 -0.278 0.000 2.179 86 I HA -0.214 3.956 4.170 0.000 0.000 0.242 86 I C 2.683 178.716 176.117 -0.139 0.000 1.088 86 I CA 2.022 63.168 61.300 -0.257 0.000 1.357 86 I CB -1.440 36.292 38.000 -0.447 0.000 1.051 86 I HN 0.319 nan 8.210 nan 0.000 0.409 87 A N 0.427 123.177 122.820 -0.117 0.000 1.972 87 A HA -0.139 4.181 4.320 0.000 0.000 0.219 87 A C 1.682 179.251 177.584 -0.026 0.000 1.169 87 A CA 1.301 53.305 52.037 -0.055 0.000 0.635 87 A CB -0.499 18.482 19.000 -0.031 0.000 0.810 87 A HN 0.471 nan 8.150 nan 0.000 0.446 88 N N -0.251 118.438 118.700 -0.018 0.000 2.376 88 N HA 0.070 4.810 4.740 0.000 0.000 0.249 88 N C 1.046 176.552 175.510 -0.007 0.000 1.140 88 N CA 0.538 53.589 53.050 0.000 0.000 0.870 88 N CB 0.618 39.123 38.487 0.030 0.000 1.124 88 N HN 0.429 nan 8.380 nan 0.000 0.505 89 S N 1.336 117.024 115.700 -0.020 0.000 2.356 89 S HA -0.129 4.341 4.470 0.000 0.000 0.223 89 S C 1.322 175.919 174.600 -0.006 0.000 1.032 89 S CA 1.263 59.453 58.200 -0.016 0.000 1.005 89 S CB 0.141 63.327 63.200 -0.023 0.000 0.867 89 S HN 0.241 nan 8.310 nan 0.000 0.449 90 D N 1.147 121.542 120.400 -0.007 0.000 2.117 90 D HA -0.081 4.559 4.640 0.000 0.000 0.197 90 D C 1.640 177.934 176.300 -0.009 0.000 0.987 90 D CA 1.154 55.150 54.000 -0.006 0.000 0.829 90 D CB -0.572 40.224 40.800 -0.007 0.000 0.961 90 D HN 0.428 nan 8.370 nan 0.000 0.460 91 D N 0.410 120.801 120.400 -0.014 0.000 2.097 91 D HA -0.061 4.579 4.640 0.000 0.000 0.197 91 D C 2.449 178.738 176.300 -0.018 0.000 0.984 91 D CA 0.322 54.307 54.000 -0.023 0.000 0.826 91 D CB -0.346 40.435 40.800 -0.031 0.000 0.973 91 D HN 0.185 nan 8.370 nan 0.000 0.460 92 L N 0.725 121.945 121.223 -0.004 0.000 1.989 92 L HA -0.210 4.130 4.340 0.000 0.000 0.211 92 L C 2.546 179.424 176.870 0.014 0.000 1.071 92 L CA 1.393 56.239 54.840 0.011 0.000 0.749 92 L CB -0.521 41.552 42.059 0.023 0.000 0.890 92 L HN -0.010 nan 8.230 nan 0.000 0.431 93 A N -0.313 122.515 122.820 0.012 0.000 1.978 93 A HA -0.238 4.082 4.320 0.000 0.000 0.220 93 A C 2.186 179.774 177.584 0.007 0.000 1.170 93 A CA 1.802 53.847 52.037 0.014 0.000 0.636 93 A CB -0.641 18.368 19.000 0.015 0.000 0.810 93 A HN 0.351 nan 8.150 nan 0.000 0.448 94 L N -0.104 121.117 121.223 -0.002 0.000 2.056 94 L HA -0.048 4.292 4.340 0.000 0.000 0.207 94 L C 2.210 179.073 176.870 -0.012 0.000 1.078 94 L CA 1.600 56.434 54.840 -0.009 0.000 0.749 94 L CB -0.514 41.532 42.059 -0.021 0.000 0.901 94 L HN 0.434 nan 8.230 nan 0.000 0.433 95 I N -0.982 119.577 120.570 -0.018 0.000 2.127 95 I HA -0.353 3.817 4.170 0.000 0.000 0.241 95 I C 2.517 178.655 176.117 0.035 0.000 1.075 95 I CA 1.654 62.945 61.300 -0.014 0.000 1.334 95 I CB -0.417 37.571 38.000 -0.020 0.000 1.040 95 I HN 0.299 nan 8.210 nan 0.000 0.405 96 L N 0.173 121.418 121.223 0.037 0.000 1.989 96 L HA -0.266 4.074 4.340 0.000 0.000 0.211 96 L C 2.676 179.563 176.870 0.027 0.000 1.071 96 L CA 1.894 56.759 54.840 0.041 0.000 0.749 96 L CB -0.424 41.649 42.059 0.024 0.000 0.890 96 L HN 0.265 nan 8.230 nan 0.000 0.431 97 T N -1.073 113.490 114.554 0.016 0.000 2.665 97 T HA -0.221 4.129 4.350 0.000 0.000 0.268 97 T C 1.706 176.419 174.700 0.021 0.000 1.035 97 T CA 2.092 64.201 62.100 0.014 0.000 1.151 97 T CB -0.434 68.443 68.868 0.015 0.000 0.862 97 T HN 0.456 nan 8.240 nan 0.000 0.438 98 T N 2.171 116.739 114.554 0.023 0.000 2.788 98 T HA -0.135 4.215 4.350 0.000 0.000 0.268 98 T C 2.035 176.765 174.700 0.051 0.000 1.044 98 T CA 1.646 63.762 62.100 0.026 0.000 1.139 98 T CB -0.266 68.606 68.868 0.006 0.000 0.867 98 T HN 0.778 nan 8.240 nan 0.000 0.454 99 E N 0.216 120.465 120.200 0.082 0.000 2.190 99 E HA 0.014 4.364 4.350 0.000 0.000 0.191 99 E C 2.285 178.916 176.600 0.052 0.000 0.978 99 E CA 0.357 56.824 56.400 0.111 0.000 0.839 99 E CB -0.101 29.722 29.700 0.206 0.000 0.787 99 E HN 0.253 nan 8.360 nan 0.000 0.473 100 Q N 0.204 120.028 119.800 0.040 0.000 2.304 100 Q HA 0.074 4.414 4.340 0.000 0.000 0.204 100 Q C 1.312 177.307 176.000 -0.008 0.000 0.936 100 Q CA 1.622 57.443 55.803 0.030 0.000 0.878 100 Q CB 1.057 29.823 28.738 0.047 0.000 0.983 100 Q HN 0.471 nan 8.270 nan 0.000 0.516 101 G N 1.413 110.206 108.800 -0.012 0.000 2.541 101 G HA2 -0.239 3.721 3.960 0.000 0.000 0.201 101 G HA3 -0.239 3.721 3.960 0.000 0.000 0.201 101 G C -0.016 174.885 174.900 0.001 0.000 1.026 101 G CA 0.055 45.136 45.100 -0.032 0.000 0.687 101 G HN 0.410 nan 8.290 nan 0.000 0.492 102 K N 1.886 122.286 120.400 -0.000 0.000 2.455 102 K HA 0.384 4.704 4.320 0.000 0.000 0.269 102 K C -2.521 174.091 176.600 0.020 0.000 0.972 102 K CA -0.530 55.761 56.287 0.007 0.000 0.938 102 K CB 0.178 32.652 32.500 -0.043 0.000 0.931 102 K HN 0.194 nan 8.250 nan 0.000 0.507 103 P HA -0.036 nan 4.420 nan 0.000 0.270 103 P C 0.619 177.933 177.300 0.023 0.000 1.223 103 P CA -0.236 62.886 63.100 0.037 0.000 0.785 103 P CB 0.449 32.173 31.700 0.040 0.000 0.923 104 L N 1.244 122.481 121.223 0.022 0.000 2.079 104 L HA -0.283 4.057 4.340 0.000 0.000 0.210 104 L C 2.247 179.128 176.870 0.019 0.000 1.081 104 L CA 2.046 56.896 54.840 0.017 0.000 0.752 104 L CB -0.731 41.337 42.059 0.015 0.000 0.896 104 L HN 0.447 nan 8.230 nan 0.000 0.433 105 A N -0.690 122.142 122.820 0.021 0.000 1.898 105 A HA -0.209 4.111 4.320 0.000 0.000 0.216 105 A C 2.154 179.756 177.584 0.030 0.000 1.181 105 A CA 1.489 53.541 52.037 0.025 0.000 0.620 105 A CB -0.355 18.660 19.000 0.024 0.000 0.819 105 A HN 0.429 nan 8.150 nan 0.000 0.442 106 E N -0.388 119.830 120.200 0.029 0.000 2.072 106 E HA -0.082 4.268 4.350 0.000 0.000 0.191 106 E C 2.323 178.935 176.600 0.019 0.000 0.985 106 E CA 0.834 57.252 56.400 0.029 0.000 0.801 106 E CB -0.233 29.478 29.700 0.018 0.000 0.750 106 E HN 0.599 nan 8.360 nan 0.000 0.452 107 A N 1.537 124.360 122.820 0.004 0.000 1.933 107 A HA -0.209 4.111 4.320 0.000 0.000 0.218 107 A C 1.935 179.541 177.584 0.037 0.000 1.175 107 A CA 1.367 53.406 52.037 0.004 0.000 0.628 107 A CB -0.236 18.764 19.000 -0.000 0.000 0.814 107 A HN 0.044 nan 8.150 nan 0.000 0.444 108 K N -0.767 119.655 120.400 0.037 0.000 2.057 108 K HA -0.070 4.250 4.320 0.000 0.000 0.206 108 K C 2.166 178.807 176.600 0.069 0.000 1.050 108 K CA 0.931 57.244 56.287 0.044 0.000 0.935 108 K CB -0.457 32.062 32.500 0.031 0.000 0.715 108 K HN 0.461 nan 8.250 nan 0.000 0.439 109 G N 1.598 110.442 108.800 0.074 0.000 2.476 109 G HA2 -0.346 3.614 3.960 0.000 0.000 0.218 109 G HA3 -0.346 3.614 3.960 0.000 0.000 0.218 109 G C 1.366 176.374 174.900 0.180 0.000 1.164 109 G CA 1.174 46.332 45.100 0.097 0.000 0.768 109 G HN 0.437 nan 8.290 nan 0.000 0.560 110 E N -0.089 120.242 120.200 0.219 0.000 2.106 110 E HA -0.105 4.245 4.350 0.000 0.000 0.192 110 E C 2.491 179.271 176.600 0.300 0.000 0.984 110 E CA 0.591 57.222 56.400 0.385 0.000 0.806 110 E CB -0.080 29.806 29.700 0.310 0.000 0.750 110 E HN 0.341 nan 8.360 nan 0.000 0.458 111 I N 1.445 122.115 120.570 0.166 0.000 2.226 111 I HA -0.207 3.963 4.170 0.000 0.000 0.245 111 I C 2.583 178.765 176.117 0.109 0.000 1.100 111 I CA 1.342 62.705 61.300 0.105 0.000 1.374 111 I CB -1.640 36.391 38.000 0.052 0.000 1.057 111 I HN 0.161 nan 8.210 nan 0.000 0.413 112 A N -0.184 122.712 122.820 0.125 0.000 1.972 112 A HA -0.261 4.059 4.320 0.000 0.000 0.219 112 A C 2.326 180.027 177.584 0.195 0.000 1.169 112 A CA 1.327 53.439 52.037 0.126 0.000 0.635 112 A CB -0.910 18.152 19.000 0.104 0.000 0.810 112 A HN 0.477 nan 8.150 nan 0.000 0.446 113 Y N 0.426 120.778 120.300 0.086 0.000 2.243 113 Y HA 0.109 4.659 4.550 0.000 0.000 0.293 113 Y C 2.589 178.613 175.900 0.207 0.000 1.124 113 Y CA 0.679 58.838 58.100 0.099 0.000 1.159 113 Y CB -0.809 37.740 38.460 0.148 0.000 1.008 113 Y HN 0.293 nan 8.280 nan 0.000 0.527 114 A N 0.931 123.845 122.820 0.157 0.000 1.851 114 A HA -0.148 4.172 4.320 0.000 0.000 0.216 114 A C 2.509 180.141 177.584 0.080 0.000 1.195 114 A CA 2.480 54.559 52.037 0.070 0.000 0.622 114 A CB -1.654 17.364 19.000 0.029 0.000 0.831 114 A HN 0.590 nan 8.150 nan 0.000 0.444 115 A N 0.280 123.141 122.820 0.068 0.000 1.917 115 A HA -0.192 4.128 4.320 0.000 0.000 0.219 115 A C 2.506 180.277 177.584 0.312 0.000 1.182 115 A CA 2.865 54.986 52.037 0.141 0.000 0.633 115 A CB -1.140 17.895 19.000 0.058 0.000 0.819 115 A HN 1.129 nan 8.150 nan 0.000 0.448 116 S N -1.323 114.492 115.700 0.191 0.000 2.402 116 S HA -0.101 4.369 4.470 0.000 0.000 0.229 116 S C 1.694 176.255 174.600 -0.066 0.000 1.021 116 S CA 1.281 59.515 58.200 0.058 0.000 0.974 116 S CB -0.744 62.436 63.200 -0.032 0.000 0.800 116 S HN 0.364 nan 8.310 nan 0.000 0.484 117 F N 2.181 122.120 119.950 -0.018 0.000 2.134 117 F HA 0.109 4.636 4.527 0.000 0.000 0.299 117 F C 2.221 178.104 175.800 0.139 0.000 1.097 117 F CA 0.828 58.835 58.000 0.011 0.000 1.264 117 F CB -0.575 38.416 39.000 -0.015 0.000 1.001 117 F HN 0.167 nan 8.300 nan 0.000 0.479 118 I N -0.159 120.564 120.570 0.256 0.000 2.179 118 I HA -0.300 3.870 4.170 0.000 0.000 0.242 118 I C 2.449 178.644 176.117 0.130 0.000 1.088 118 I CA 1.883 63.292 61.300 0.181 0.000 1.357 118 I CB -0.734 37.244 38.000 -0.036 0.000 1.051 118 I HN 0.185 nan 8.210 nan 0.000 0.409 119 E N 1.232 121.400 120.200 -0.053 0.000 2.077 119 E HA -0.282 4.068 4.350 0.000 0.000 0.193 119 E C 2.240 178.752 176.600 -0.147 0.000 0.989 119 E CA 1.492 57.690 56.400 -0.337 0.000 0.800 119 E CB -0.359 28.840 29.700 -0.834 0.000 0.746 119 E HN 0.605 nan 8.360 nan 0.000 0.452 120 W N 0.464 121.608 121.300 -0.260 0.000 2.335 120 W HA -0.243 4.417 4.660 0.000 0.000 0.311 120 W C 1.440 177.774 176.519 -0.308 0.000 1.213 120 W CA 1.335 58.472 57.345 -0.347 0.000 1.274 120 W CB -0.414 28.726 29.460 -0.534 0.000 1.148 120 W HN 0.161 nan 8.180 nan 0.000 0.498 121 F N 0.951 120.975 119.950 0.123 0.000 2.259 121 F HA -0.006 4.521 4.527 0.000 0.000 0.298 121 F C 2.736 178.517 175.800 -0.032 0.000 1.088 121 F CA 1.612 59.637 58.000 0.042 0.000 1.358 121 F CB -1.471 37.621 39.000 0.153 0.000 1.040 121 F HN -0.116 nan 8.300 nan 0.000 0.505 122 A N 0.269 123.172 122.820 0.138 0.000 1.917 122 A HA -0.249 4.071 4.320 0.000 0.000 0.219 122 A C 2.113 179.672 177.584 -0.041 0.000 1.182 122 A CA 2.103 54.184 52.037 0.072 0.000 0.633 122 A CB -0.775 18.259 19.000 0.056 0.000 0.819 122 A HN 0.462 nan 8.150 nan 0.000 0.448 123 E N -0.784 119.316 120.200 -0.166 0.000 2.152 123 E HA -0.115 4.236 4.350 0.000 0.000 0.192 123 E C 1.830 178.268 176.600 -0.270 0.000 0.983 123 E CA 0.809 57.055 56.400 -0.256 0.000 0.818 123 E CB -0.050 29.408 29.700 -0.403 0.000 0.758 123 E HN 0.528 nan 8.360 nan 0.000 0.467 124 E N 0.201 120.234 120.200 -0.278 0.000 2.216 124 E HA -0.057 4.293 4.350 0.000 0.000 0.192 124 E C 2.130 178.718 176.600 -0.019 0.000 0.988 124 E CA 0.624 56.919 56.400 -0.176 0.000 0.834 124 E CB -0.075 29.580 29.700 -0.074 0.000 0.772 124 E HN 0.324 nan 8.360 nan 0.000 0.479 125 G N 1.897 110.708 108.800 0.019 0.000 2.422 125 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 125 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 125 G C 1.425 176.319 174.900 -0.008 0.000 1.146 125 G CA 0.384 45.504 45.100 0.033 0.000 0.769 125 G HN 0.220 nan 8.290 nan 0.000 0.547 126 K N -0.059 120.316 120.400 -0.041 0.000 2.555 126 K HA 0.090 4.410 4.320 0.000 0.000 0.193 126 K C 1.619 178.189 176.600 -0.052 0.000 1.032 126 K CA 0.351 56.607 56.287 -0.052 0.000 1.004 126 K CB 0.159 32.619 32.500 -0.067 0.000 0.804 126 K HN 0.209 nan 8.250 nan 0.000 0.496 127 R N 0.123 120.595 120.500 -0.046 0.000 2.541 127 R HA 0.126 4.466 4.340 0.000 0.000 0.332 127 R C -0.445 175.845 176.300 -0.016 0.000 0.951 127 R CA -0.147 55.924 56.100 -0.048 0.000 1.136 127 R CB 1.158 31.406 30.300 -0.086 0.000 1.449 127 R HN -0.130 nan 8.270 nan 0.000 0.531 128 V N 2.356 122.277 119.914 0.012 0.000 2.434 128 V HA 0.143 4.263 4.120 0.000 0.000 0.281 128 V C 0.356 176.466 176.094 0.026 0.000 1.005 128 V CA 0.180 62.504 62.300 0.041 0.000 1.089 128 V CB 0.451 32.313 31.823 0.065 0.000 0.978 128 V HN 0.208 nan 8.190 nan 0.000 0.474 129 A N 4.707 127.541 122.820 0.024 0.000 2.365 129 A HA 0.910 5.230 4.320 0.000 0.000 0.318 129 A C 0.360 177.959 177.584 0.026 0.000 1.091 129 A CA 0.029 52.074 52.037 0.013 0.000 0.763 129 A CB 1.674 20.670 19.000 -0.007 0.000 1.248 129 A HN 0.876 nan 8.150 nan 0.000 0.442 130 G N -0.070 108.745 108.800 0.025 0.000 2.795 130 G HA2 0.623 4.583 3.960 0.000 0.000 0.267 130 G HA3 0.623 4.583 3.960 0.000 0.000 0.267 130 G C -1.110 173.807 174.900 0.028 0.000 1.362 130 G CA -0.508 44.613 45.100 0.035 0.000 1.048 130 G HN 0.656 nan 8.290 nan 0.000 0.547 131 D N -0.224 120.198 120.400 0.037 0.000 2.457 131 D HA 0.465 5.105 4.640 0.000 0.000 0.240 131 D C -0.544 175.779 176.300 0.037 0.000 1.041 131 D CA -0.159 53.861 54.000 0.032 0.000 0.861 131 D CB 1.983 42.804 40.800 0.034 0.000 1.394 131 D HN 0.462 nan 8.370 nan 0.000 0.473 132 T N -0.597 113.974 114.554 0.028 0.000 2.809 132 T HA 0.620 4.970 4.350 0.000 0.000 0.296 132 T C -0.139 174.578 174.700 0.028 0.000 1.015 132 T CA -0.706 61.413 62.100 0.031 0.000 0.954 132 T CB 0.287 69.168 68.868 0.022 0.000 0.950 132 T HN 0.177 nan 8.240 nan 0.000 0.450 133 L N 3.652 124.897 121.223 0.036 0.000 2.352 133 L HA 0.603 4.943 4.340 0.000 0.000 0.269 133 L C -2.086 174.800 176.870 0.026 0.000 1.034 133 L CA -2.727 52.129 54.840 0.027 0.000 0.806 133 L CB 1.133 43.206 42.059 0.023 0.000 1.244 133 L HN 0.433 nan 8.230 nan 0.000 0.447 134 P HA 0.060 nan 4.420 nan 0.000 0.271 134 P C -0.474 176.838 177.300 0.020 0.000 1.220 134 P CA -0.143 62.966 63.100 0.016 0.000 0.768 134 P CB 0.666 32.372 31.700 0.010 0.000 0.848 135 T N 3.367 117.935 114.554 0.024 0.000 2.897 135 T HA 0.276 4.626 4.350 0.000 0.000 0.294 135 T C -0.933 173.780 174.700 0.022 0.000 1.004 135 T CA -1.468 60.650 62.100 0.030 0.000 1.106 135 T CB 0.123 69.012 68.868 0.035 0.000 0.949 135 T HN 0.316 nan 8.240 nan 0.000 0.520 136 P HA 0.165 nan 4.420 nan 0.000 0.220 136 P C -0.022 177.290 177.300 0.020 0.000 1.154 136 P CA 0.407 63.517 63.100 0.017 0.000 0.830 136 P CB 0.243 31.952 31.700 0.014 0.000 0.803 137 D N -0.552 119.865 120.400 0.027 0.000 2.168 137 D HA 0.397 5.037 4.640 0.000 0.000 0.246 137 D C 0.815 177.128 176.300 0.022 0.000 1.050 137 D CA -0.472 53.543 54.000 0.025 0.000 0.857 137 D CB 2.072 42.890 40.800 0.030 0.000 1.169 137 D HN -0.088 nan 8.370 nan 0.000 0.453 138 A N 4.033 126.862 122.820 0.016 0.000 2.014 138 A HA -0.107 4.213 4.320 0.000 0.000 0.218 138 A C 1.205 178.797 177.584 0.012 0.000 1.163 138 A CA 0.670 52.715 52.037 0.013 0.000 0.652 138 A CB -0.122 18.884 19.000 0.010 0.000 0.808 138 A HN 0.640 nan 8.150 nan 0.000 0.449 139 N N -0.230 118.478 118.700 0.012 0.000 2.313 139 N HA 0.131 4.871 4.740 0.000 0.000 0.207 139 N C -0.645 174.872 175.510 0.011 0.000 1.141 139 N CA 0.371 53.427 53.050 0.010 0.000 0.830 139 N CB 0.454 38.946 38.487 0.007 0.000 1.008 139 N HN 0.262 nan 8.380 nan 0.000 0.481 140 K N 0.297 120.708 120.400 0.018 0.000 2.469 140 K HA 0.481 4.801 4.320 0.000 0.000 0.254 140 K C -0.818 175.800 176.600 0.031 0.000 0.939 140 K CA -0.477 55.825 56.287 0.024 0.000 0.812 140 K CB 2.048 34.572 32.500 0.039 0.000 1.301 140 K HN -0.158 nan 8.250 nan 0.000 0.433 141 R N 1.406 121.923 120.500 0.030 0.000 2.670 141 R HA 0.582 4.922 4.340 0.000 0.000 0.289 141 R C -1.065 175.273 176.300 0.062 0.000 0.965 141 R CA -0.621 55.502 56.100 0.037 0.000 0.899 141 R CB 1.044 31.356 30.300 0.020 0.000 1.173 141 R HN 0.452 nan 8.270 nan 0.000 0.456 142 I N 2.707 123.331 120.570 0.091 0.000 2.330 142 I HA 0.345 4.515 4.170 0.000 0.000 0.289 142 I C -0.868 175.325 176.117 0.127 0.000 1.001 142 I CA -0.381 61.018 61.300 0.166 0.000 1.193 142 I CB 1.738 39.851 38.000 0.188 0.000 1.345 142 I HN 0.202 nan 8.210 nan 0.000 0.461 143 V N 7.066 127.058 119.914 0.130 0.000 2.487 143 V HA 0.538 4.658 4.120 0.000 0.000 0.298 143 V C -0.347 175.822 176.094 0.125 0.000 1.028 143 V CA -0.795 61.557 62.300 0.087 0.000 0.860 143 V CB 1.972 33.815 31.823 0.033 0.000 0.991 143 V HN 0.322 nan 8.190 nan 0.000 0.427 144 V N 5.697 125.674 119.914 0.106 0.000 2.409 144 V HA 0.675 4.795 4.120 0.000 0.000 0.291 144 V C -0.045 176.091 176.094 0.070 0.000 1.020 144 V CA -0.510 61.856 62.300 0.111 0.000 0.848 144 V CB 1.770 33.652 31.823 0.099 0.000 0.990 144 V HN 0.791 nan 8.190 nan 0.000 0.430 145 V N 2.652 122.606 119.914 0.066 0.000 3.113 145 V HA 0.784 4.904 4.120 0.000 0.000 0.316 145 V C -0.691 175.439 176.094 0.060 0.000 1.125 145 V CA -0.974 61.356 62.300 0.050 0.000 1.026 145 V CB 2.342 34.184 31.823 0.032 0.000 1.080 145 V HN 0.784 nan 8.190 nan 0.000 0.444 146 K N 1.221 121.655 120.400 0.057 0.000 2.375 146 K HA 0.710 5.030 4.320 0.000 0.000 0.249 146 K C -1.237 175.408 176.600 0.075 0.000 0.942 146 K CA -0.589 55.742 56.287 0.073 0.000 0.806 146 K CB 2.365 34.912 32.500 0.078 0.000 1.227 146 K HN 1.026 nan 8.250 nan 0.000 0.430 147 E N 1.251 121.511 120.200 0.099 0.000 2.392 147 E HA 0.365 4.715 4.350 0.000 0.000 0.279 147 E C -2.987 173.724 176.600 0.184 0.000 0.964 147 E CA -2.467 54.003 56.400 0.117 0.000 0.777 147 E CB 1.760 31.514 29.700 0.089 0.000 1.249 147 E HN 0.141 nan 8.360 nan 0.000 0.449 148 P HA -0.067 nan 4.420 nan 0.000 0.263 148 P C 0.494 178.021 177.300 0.378 0.000 1.175 148 P CA 0.275 63.592 63.100 0.362 0.000 0.761 148 P CB 0.886 32.938 31.700 0.587 0.000 0.794 149 I N 1.383 122.082 120.570 0.215 0.000 2.252 149 I HA -0.024 4.146 4.170 0.000 0.000 0.245 149 I C 1.075 177.159 176.117 -0.056 0.000 1.102 149 I CA 2.025 63.388 61.300 0.105 0.000 1.385 149 I CB -0.276 37.739 38.000 0.026 0.000 1.064 149 I HN 0.702 nan 8.210 nan 0.000 0.414 150 G N -0.777 107.793 108.800 -0.383 0.000 2.278 150 G HA2 -0.043 3.917 3.960 0.000 0.000 0.265 150 G HA3 -0.043 3.917 3.960 0.000 0.000 0.265 150 G C -1.001 173.393 174.900 -0.844 0.000 1.329 150 G CA -0.301 44.068 45.100 -1.218 0.000 1.017 150 G HN -0.058 nan 8.290 nan 0.000 0.472 151 V N 0.806 120.294 119.914 -0.709 0.000 2.450 151 V HA 0.301 4.421 4.120 0.000 0.000 0.281 151 V C 0.909 176.866 176.094 -0.228 0.000 1.019 151 V CA -0.046 62.017 62.300 -0.394 0.000 1.062 151 V CB -0.290 31.377 31.823 -0.261 0.000 0.979 151 V HN 0.814 nan 8.190 nan 0.000 0.477 152 C N 4.578 123.788 119.300 -0.151 0.000 2.335 152 C HA 0.910 5.370 4.460 0.000 0.000 0.363 152 C C 0.716 175.682 174.990 -0.040 0.000 1.198 152 C CA -0.469 58.516 59.018 -0.055 0.000 2.279 152 C CB 0.990 28.769 27.740 0.065 0.000 2.334 152 C HN 1.016 nan 8.230 nan 0.000 0.559 153 A N 0.648 123.462 122.820 -0.011 0.000 2.469 153 A HA 0.959 5.279 4.320 0.000 0.000 0.299 153 A C -1.001 176.606 177.584 0.038 0.000 1.098 153 A CA -0.329 51.710 52.037 0.003 0.000 0.737 153 A CB 1.250 20.247 19.000 -0.005 0.000 1.312 153 A HN 1.598 nan 8.150 nan 0.000 0.414 154 A N 1.072 123.919 122.820 0.045 0.000 2.459 154 A HA 0.700 5.020 4.320 0.000 0.000 0.296 154 A C -1.137 176.487 177.584 0.067 0.000 1.039 154 A CA -0.256 51.817 52.037 0.060 0.000 0.698 154 A CB 0.752 19.782 19.000 0.050 0.000 1.261 154 A HN 0.731 nan 8.150 nan 0.000 0.405 155 I N 2.565 123.197 120.570 0.104 0.000 2.378 155 I HA 0.536 4.706 4.170 0.000 0.000 0.291 155 I C 0.143 176.250 176.117 -0.017 0.000 0.992 155 I CA -0.358 61.016 61.300 0.123 0.000 1.154 155 I CB 2.285 40.483 38.000 0.331 0.000 1.315 155 I HN 0.764 nan 8.210 nan 0.000 0.448 156 T N 3.925 118.458 114.554 -0.035 0.000 2.893 156 T HA 0.653 5.003 4.350 0.000 0.000 0.293 156 T C -2.818 171.822 174.700 -0.101 0.000 1.027 156 T CA -1.960 60.078 62.100 -0.104 0.000 0.988 156 T CB 2.395 71.230 68.868 -0.056 0.000 1.043 156 T HN 0.244 nan 8.240 nan 0.000 0.461 157 P HA 0.316 nan 4.420 nan 0.000 0.284 157 P C 0.821 178.026 177.300 -0.159 0.000 1.287 157 P CA -0.925 62.028 63.100 -0.245 0.000 0.824 157 P CB 1.026 32.446 31.700 -0.467 0.000 1.180 158 W N 0.950 122.219 121.300 -0.053 0.000 2.770 158 W HA -0.007 4.653 4.660 0.000 0.000 0.256 158 W C 0.952 177.451 176.519 -0.033 0.000 1.291 158 W CA 0.333 57.653 57.345 -0.043 0.000 1.396 158 W CB -1.638 27.786 29.460 -0.060 0.000 1.114 158 W HN 0.235 nan 8.180 nan 0.000 0.637 159 N N 1.333 119.794 118.700 -0.397 0.000 2.270 159 N HA -0.164 4.576 4.740 0.000 0.000 0.181 159 N C -0.102 175.383 175.510 -0.041 0.000 1.016 159 N CA 0.765 53.693 53.050 -0.204 0.000 0.870 159 N CB -0.978 37.245 38.487 -0.440 0.000 0.979 159 N HN 0.105 nan 8.380 nan 0.000 0.431 160 F N 0.446 120.344 119.950 -0.086 0.000 2.622 160 F HA 0.395 4.922 4.527 0.000 0.000 0.338 160 F C -1.850 173.942 175.800 -0.014 0.000 1.334 160 F CA -2.017 55.978 58.000 -0.009 0.000 1.179 160 F CB 2.133 41.136 39.000 0.005 0.000 1.471 160 F HN -0.146 nan 8.300 nan 0.000 0.576 161 P HA -0.131 nan 4.420 nan 0.000 0.220 161 P C 1.267 178.613 177.300 0.076 0.000 1.148 161 P CA 1.182 64.327 63.100 0.075 0.000 0.803 161 P CB 0.389 32.137 31.700 0.079 0.000 0.782 162 A N -0.372 122.500 122.820 0.086 0.000 1.942 162 A HA 0.333 4.653 4.320 0.000 0.000 0.209 162 A C 2.239 179.851 177.584 0.047 0.000 1.214 162 A CA 1.026 53.109 52.037 0.077 0.000 0.686 162 A CB -1.219 17.828 19.000 0.079 0.000 0.871 162 A HN 0.134 nan 8.150 nan 0.000 0.460 163 A N -0.779 122.088 122.820 0.078 0.000 1.968 163 A HA -0.012 4.308 4.320 0.000 0.000 0.217 163 A C 2.080 179.538 177.584 -0.211 0.000 1.169 163 A CA 1.634 53.631 52.037 -0.066 0.000 0.638 163 A CB -0.452 18.520 19.000 -0.046 0.000 0.812 163 A HN 0.368 nan 8.150 nan 0.000 0.446 164 M N -0.796 118.740 119.600 -0.107 0.000 2.159 164 M HA -0.074 4.406 4.480 0.000 0.000 0.263 164 M C 1.929 178.152 176.300 -0.130 0.000 1.063 164 M CA 1.226 56.429 55.300 -0.161 0.000 1.110 164 M CB -1.119 31.424 32.600 -0.094 0.000 1.374 164 M HN 0.352 nan 8.290 nan 0.000 0.411 165 I N 0.295 120.837 120.570 -0.048 0.000 2.286 165 I HA -0.152 4.018 4.170 0.000 0.000 0.245 165 I C 2.547 178.672 176.117 0.013 0.000 1.104 165 I CA 1.307 62.617 61.300 0.017 0.000 1.397 165 I CB -0.852 37.206 38.000 0.097 0.000 1.072 165 I HN 0.189 nan 8.210 nan 0.000 0.417 166 A N -0.008 122.780 122.820 -0.054 0.000 1.933 166 A HA -0.199 4.121 4.320 0.000 0.000 0.218 166 A C 2.427 179.943 177.584 -0.114 0.000 1.175 166 A CA 1.456 53.448 52.037 -0.074 0.000 0.628 166 A CB -0.594 18.348 19.000 -0.097 0.000 0.814 166 A HN 0.301 nan 8.150 nan 0.000 0.444 167 R N -0.807 119.465 120.500 -0.380 0.000 2.241 167 R HA -0.041 4.299 4.340 0.000 0.000 0.224 167 R C 1.642 177.771 176.300 -0.286 0.000 1.101 167 R CA 1.403 57.169 56.100 -0.556 0.000 0.995 167 R CB -0.009 29.794 30.300 -0.830 0.000 0.870 167 R HN 0.505 nan 8.270 nan 0.000 0.463 168 K N -1.377 118.913 120.400 -0.183 0.000 2.380 168 K HA 0.107 4.427 4.320 0.000 0.000 0.200 168 K C 1.763 178.282 176.600 -0.135 0.000 1.201 168 K CA 0.234 56.452 56.287 -0.115 0.000 0.916 168 K CB 0.512 32.992 32.500 -0.034 0.000 1.187 168 K HN -0.083 nan 8.250 nan 0.000 0.498 169 V N 1.554 121.448 119.914 -0.033 0.000 2.358 169 V HA -0.147 3.973 4.120 0.000 0.000 0.246 169 V C 2.343 178.445 176.094 0.014 0.000 1.047 169 V CA 2.257 64.574 62.300 0.027 0.000 1.035 169 V CB -1.007 30.940 31.823 0.206 0.000 0.658 169 V HN 0.458 nan 8.190 nan 0.000 0.452 170 G N 1.675 110.517 108.800 0.069 0.000 2.672 170 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 170 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 170 G C 0.117 174.893 174.900 -0.207 0.000 1.238 170 G CA 1.554 46.718 45.100 0.107 0.000 0.791 170 G HN 0.557 nan 8.290 nan 0.000 0.606 171 P HA -0.042 nan 4.420 nan 0.000 0.216 171 P C 2.148 178.955 177.300 -0.823 0.000 1.153 171 P CA 2.175 64.614 63.100 -1.103 0.000 0.848 171 P CB -0.306 30.452 31.700 -1.570 0.000 0.787 172 A N 0.184 122.361 122.820 -1.073 0.000 1.869 172 A HA -0.211 4.109 4.320 0.000 0.000 0.218 172 A C 2.301 179.828 177.584 -0.096 0.000 1.203 172 A CA 2.056 53.735 52.037 -0.596 0.000 0.638 172 A CB -1.738 17.075 19.000 -0.312 0.000 0.831 172 A HN 0.098 nan 8.150 nan 0.000 0.450 173 L N -0.613 120.609 121.223 -0.001 0.000 2.046 173 L HA -0.090 4.250 4.340 0.000 0.000 0.208 173 L C 2.986 180.123 176.870 0.444 0.000 1.077 173 L CA 1.966 56.985 54.840 0.298 0.000 0.747 173 L CB -0.876 41.307 42.059 0.207 0.000 0.896 173 L HN 0.409 nan 8.230 nan 0.000 0.432 174 A N -0.958 121.999 122.820 0.228 0.000 2.015 174 A HA -0.045 4.275 4.320 0.000 0.000 0.219 174 A C 2.383 180.044 177.584 0.127 0.000 1.163 174 A CA 1.365 53.512 52.037 0.183 0.000 0.646 174 A CB -0.733 18.379 19.000 0.187 0.000 0.806 174 A HN 0.364 nan 8.150 nan 0.000 0.448 175 A N -1.658 121.231 122.820 0.114 0.000 2.119 175 A HA 0.368 4.688 4.320 0.000 0.000 0.217 175 A C 1.794 179.490 177.584 0.187 0.000 1.153 175 A CA 1.396 53.517 52.037 0.140 0.000 0.692 175 A CB -0.793 18.302 19.000 0.158 0.000 0.799 175 A HN 1.880 nan 8.150 nan 0.000 0.458 176 G N -2.483 106.469 108.800 0.253 0.000 2.131 176 G HA2 -0.186 3.774 3.960 0.000 0.000 0.201 176 G HA3 -0.186 3.774 3.960 0.000 0.000 0.201 176 G C -0.030 175.240 174.900 0.618 0.000 1.000 176 G CA -0.119 45.158 45.100 0.295 0.000 0.680 176 G HN 0.597 nan 8.290 nan 0.000 0.514 177 C N 1.667 121.272 119.300 0.508 0.000 2.397 177 C HA 0.814 5.274 4.460 0.000 0.000 0.343 177 C C -1.643 173.426 174.990 0.131 0.000 1.188 177 C CA -1.417 57.767 59.018 0.277 0.000 1.992 177 C CB 1.874 29.679 27.740 0.109 0.000 2.358 177 C HN 0.430 nan 8.230 nan 0.000 0.518 178 P HA 0.524 nan 4.420 nan 0.000 0.286 178 P C -1.126 176.074 177.300 -0.166 0.000 1.261 178 P CA -0.136 62.850 63.100 -0.189 0.000 0.821 178 P CB 1.345 32.960 31.700 -0.142 0.000 1.013 179 I N 1.856 122.326 120.570 -0.167 0.000 2.647 179 I HA 0.357 4.527 4.170 0.000 0.000 0.295 179 I C -1.182 174.877 176.117 -0.097 0.000 1.078 179 I CA -1.232 60.005 61.300 -0.105 0.000 1.048 179 I CB 2.270 40.229 38.000 -0.068 0.000 1.239 179 I HN -0.011 nan 8.210 nan 0.000 0.421 180 V N 7.350 127.224 119.914 -0.066 0.000 2.417 180 V HA 0.482 4.602 4.120 0.000 0.000 0.291 180 V C -0.433 175.651 176.094 -0.016 0.000 1.024 180 V CA -0.571 61.699 62.300 -0.050 0.000 0.861 180 V CB 1.649 33.441 31.823 -0.052 0.000 0.985 180 V HN 0.426 nan 8.190 nan 0.000 0.436 181 V N 4.708 124.621 119.914 -0.002 0.000 2.540 181 V HA 0.494 4.614 4.120 0.000 0.000 0.302 181 V C -0.099 176.016 176.094 0.035 0.000 1.035 181 V CA -0.896 61.417 62.300 0.022 0.000 0.873 181 V CB 1.979 33.820 31.823 0.029 0.000 0.992 181 V HN 0.815 nan 8.190 nan 0.000 0.428 182 K N 6.913 127.341 120.400 0.047 0.000 2.404 182 K HA 0.468 4.788 4.320 0.000 0.000 0.257 182 K C -2.671 173.968 176.600 0.065 0.000 1.026 182 K CA -1.723 54.600 56.287 0.060 0.000 0.951 182 K CB 2.038 34.577 32.500 0.065 0.000 1.203 182 K HN 0.416 nan 8.250 nan 0.000 0.446 183 P HA 0.133 nan 4.420 nan 0.000 0.278 183 P C -0.693 176.653 177.300 0.078 0.000 1.266 183 P CA -0.500 62.637 63.100 0.062 0.000 0.807 183 P CB 0.788 32.525 31.700 0.061 0.000 1.094 184 A N 0.401 123.273 122.820 0.087 0.000 2.531 184 A HA 0.333 4.653 4.320 0.000 0.000 0.236 184 A C 1.742 179.388 177.584 0.104 0.000 1.062 184 A CA 0.571 52.681 52.037 0.122 0.000 0.760 184 A CB -0.946 18.183 19.000 0.216 0.000 0.995 184 A HN 0.644 nan 8.150 nan 0.000 0.501 185 E N 1.075 121.319 120.200 0.074 0.000 2.204 185 E HA -0.145 4.205 4.350 0.000 0.000 0.195 185 E C 1.944 178.600 176.600 0.094 0.000 0.990 185 E CA 1.943 58.384 56.400 0.068 0.000 0.821 185 E CB -0.750 28.800 29.700 -0.249 0.000 0.750 185 E HN 1.324 nan 8.360 nan 0.000 0.477 186 S N -0.416 115.299 115.700 0.026 0.000 2.528 186 S HA 0.034 4.504 4.470 0.000 0.000 0.219 186 S C 1.326 175.923 174.600 -0.006 0.000 0.985 186 S CA 0.877 59.068 58.200 -0.014 0.000 0.914 186 S CB -0.107 63.009 63.200 -0.141 0.000 0.776 186 S HN 0.675 nan 8.310 nan 0.000 0.526 187 T N -0.785 113.786 114.554 0.028 0.000 3.542 187 T HA 0.450 4.800 4.350 0.000 0.000 0.276 187 T C -2.242 172.431 174.700 -0.046 0.000 1.412 187 T CA -1.235 60.872 62.100 0.010 0.000 1.664 187 T CB 1.448 70.379 68.868 0.106 0.000 0.863 187 T HN 0.037 nan 8.240 nan 0.000 0.661 188 P HA 0.083 nan 4.420 nan 0.000 0.221 188 P C 1.109 178.333 177.300 -0.126 0.000 1.155 188 P CA 0.335 63.311 63.100 -0.208 0.000 0.812 188 P CB -0.082 31.401 31.700 -0.361 0.000 0.801 189 F N 1.070 121.017 119.950 -0.005 0.000 2.216 189 F HA -0.099 4.428 4.527 0.000 0.000 0.300 189 F C 2.525 178.322 175.800 -0.005 0.000 1.085 189 F CA 1.122 59.095 58.000 -0.045 0.000 1.326 189 F CB -1.671 37.271 39.000 -0.097 0.000 1.027 189 F HN -0.080 nan 8.300 nan 0.000 0.497 190 S N -0.062 115.751 115.700 0.189 0.000 2.383 190 S HA -0.125 4.345 4.470 0.000 0.000 0.227 190 S C 2.388 177.074 174.600 0.142 0.000 1.026 190 S CA 0.957 59.241 58.200 0.139 0.000 0.981 190 S CB -0.639 62.625 63.200 0.108 0.000 0.818 190 S HN 0.365 nan 8.310 nan 0.000 0.472 191 A N 1.324 124.223 122.820 0.131 0.000 1.930 191 A HA 0.058 4.378 4.320 0.000 0.000 0.217 191 A C 2.077 179.764 177.584 0.172 0.000 1.175 191 A CA 0.989 53.109 52.037 0.138 0.000 0.627 191 A CB -0.580 18.482 19.000 0.104 0.000 0.815 191 A HN 0.447 nan 8.150 nan 0.000 0.443 192 L N -0.960 120.379 121.223 0.193 0.000 2.072 192 L HA -0.106 4.234 4.340 0.000 0.000 0.205 192 L C 3.076 180.119 176.870 0.289 0.000 1.079 192 L CA 0.884 55.892 54.840 0.281 0.000 0.752 192 L CB -0.577 41.658 42.059 0.293 0.000 0.906 192 L HN 0.410 nan 8.230 nan 0.000 0.436 193 A N -0.156 122.778 122.820 0.191 0.000 1.940 193 A HA -0.224 4.096 4.320 0.000 0.000 0.219 193 A C 2.305 180.047 177.584 0.265 0.000 1.176 193 A CA 1.788 53.919 52.037 0.157 0.000 0.631 193 A CB -0.392 18.662 19.000 0.089 0.000 0.814 193 A HN 0.359 nan 8.150 nan 0.000 0.446 194 M N -1.294 118.470 119.600 0.274 0.000 2.334 194 M HA 0.012 4.492 4.480 0.000 0.000 0.266 194 M C 2.564 179.071 176.300 0.344 0.000 1.082 194 M CA 0.961 56.498 55.300 0.397 0.000 1.141 194 M CB -0.416 32.429 32.600 0.409 0.000 1.380 194 M HN 0.482 nan 8.290 nan 0.000 0.440 195 A N 0.665 123.579 122.820 0.157 0.000 1.883 195 A HA -0.232 4.088 4.320 0.000 0.000 0.217 195 A C 1.980 179.462 177.584 -0.169 0.000 1.186 195 A CA 1.597 53.541 52.037 -0.155 0.000 0.624 195 A CB -1.147 17.671 19.000 -0.303 0.000 0.822 195 A HN 0.471 nan 8.150 nan 0.000 0.444 196 F N 0.515 120.489 119.950 0.040 0.000 2.091 196 F HA -0.201 4.326 4.527 0.000 0.000 0.299 196 F C 1.952 177.785 175.800 0.055 0.000 1.103 196 F CA 2.034 60.120 58.000 0.143 0.000 1.228 196 F CB -0.199 38.862 39.000 0.102 0.000 0.984 196 F HN 0.150 nan 8.300 nan 0.000 0.477 197 L N -0.680 120.684 121.223 0.235 0.000 2.217 197 L HA -0.099 4.241 4.340 0.000 0.000 0.211 197 L C 2.691 179.576 176.870 0.024 0.000 1.107 197 L CA 0.779 55.736 54.840 0.195 0.000 0.783 197 L CB -1.083 41.206 42.059 0.382 0.000 0.919 197 L HN 0.208 nan 8.230 nan 0.000 0.442 198 A N 0.048 122.711 122.820 -0.261 0.000 1.933 198 A HA -0.255 4.065 4.320 0.000 0.000 0.218 198 A C 2.266 179.599 177.584 -0.419 0.000 1.175 198 A CA 1.823 53.379 52.037 -0.801 0.000 0.628 198 A CB -0.413 17.921 19.000 -1.110 0.000 0.814 198 A HN 0.461 nan 8.150 nan 0.000 0.444 199 E N -0.342 119.672 120.200 -0.310 0.000 2.051 199 E HA -0.194 4.156 4.350 0.000 0.000 0.192 199 E C 2.246 178.754 176.600 -0.154 0.000 0.991 199 E CA 1.048 57.326 56.400 -0.202 0.000 0.799 199 E CB -0.107 29.484 29.700 -0.182 0.000 0.748 199 E HN 0.566 nan 8.360 nan 0.000 0.449 200 R N -0.326 120.069 120.500 -0.175 0.000 2.152 200 R HA -0.074 4.266 4.340 0.000 0.000 0.232 200 R C 2.160 178.451 176.300 -0.015 0.000 1.117 200 R CA 0.875 56.919 56.100 -0.094 0.000 0.981 200 R CB -0.119 30.131 30.300 -0.082 0.000 0.870 200 R HN 0.151 nan 8.270 nan 0.000 0.451 201 A N -0.150 122.669 122.820 -0.001 0.000 2.119 201 A HA 0.127 4.447 4.320 0.000 0.000 0.216 201 A C 1.333 178.948 177.584 0.051 0.000 1.152 201 A CA 1.086 53.165 52.037 0.070 0.000 0.708 201 A CB 0.049 19.138 19.000 0.148 0.000 0.805 201 A HN 0.436 nan 8.150 nan 0.000 0.460 202 G N -1.541 107.258 108.800 -0.003 0.000 2.173 202 G HA2 -0.100 3.860 3.960 0.000 0.000 0.174 202 G HA3 -0.100 3.860 3.960 0.000 0.000 0.174 202 G C -0.092 174.820 174.900 0.021 0.000 1.025 202 G CA -0.145 44.969 45.100 0.022 0.000 0.706 202 G HN 0.697 nan 8.290 nan 0.000 0.499 203 V N 1.871 121.732 119.914 -0.088 0.000 2.415 203 V HA 0.290 4.410 4.120 0.000 0.000 0.267 203 V C -1.007 174.994 176.094 -0.154 0.000 1.042 203 V CA -0.997 61.187 62.300 -0.193 0.000 1.000 203 V CB 0.822 32.410 31.823 -0.392 0.000 1.015 203 V HN 0.232 nan 8.190 nan 0.000 0.478 204 P HA 0.165 nan 4.420 nan 0.000 0.266 204 P C 0.139 177.366 177.300 -0.121 0.000 1.193 204 P CA 0.085 63.152 63.100 -0.056 0.000 0.770 204 P CB 0.324 32.046 31.700 0.037 0.000 0.836 205 K N 1.715 122.058 120.400 -0.095 0.000 2.484 205 K HA 0.365 4.685 4.320 0.000 0.000 0.280 205 K C 1.427 177.928 176.600 -0.165 0.000 1.013 205 K CA 0.358 56.555 56.287 -0.149 0.000 1.029 205 K CB -1.290 31.135 32.500 -0.125 0.000 0.902 205 K HN 0.922 nan 8.250 nan 0.000 0.481 206 G N 0.238 108.898 108.800 -0.234 0.000 2.317 206 G HA2 -0.302 3.658 3.960 0.000 0.000 0.227 206 G HA3 -0.302 3.658 3.960 0.000 0.000 0.227 206 G C 1.455 176.231 174.900 -0.207 0.000 1.042 206 G CA 0.606 45.586 45.100 -0.200 0.000 0.623 206 G HN 1.180 nan 8.290 nan 0.000 0.509 207 V N 0.426 120.188 119.914 -0.254 0.000 2.594 207 V HA 0.230 4.350 4.120 0.000 0.000 0.253 207 V C 1.091 176.968 176.094 -0.363 0.000 1.069 207 V CA 2.045 64.113 62.300 -0.386 0.000 1.082 207 V CB -0.143 31.266 31.823 -0.690 0.000 0.680 207 V HN 0.653 nan 8.190 nan 0.000 0.469 208 L N -0.641 120.413 121.223 -0.281 0.000 2.410 208 L HA 0.678 5.018 4.340 0.000 0.000 0.270 208 L C -0.706 176.091 176.870 -0.121 0.000 0.983 208 L CA 0.095 54.816 54.840 -0.198 0.000 0.822 208 L CB 2.222 44.151 42.059 -0.218 0.000 1.285 208 L HN -0.055 nan 8.230 nan 0.000 0.409 209 S N 3.341 118.985 115.700 -0.093 0.000 2.571 209 S HA 0.744 5.214 4.470 0.000 0.000 0.284 209 S C -1.200 173.397 174.600 -0.004 0.000 1.128 209 S CA -0.570 57.583 58.200 -0.078 0.000 0.970 209 S CB 2.020 65.133 63.200 -0.146 0.000 1.039 209 S HN 0.395 nan 8.310 nan 0.000 0.485 210 V N 3.648 123.592 119.914 0.050 0.000 2.334 210 V HA 0.431 4.551 4.120 0.000 0.000 0.281 210 V C -0.291 175.834 176.094 0.050 0.000 1.016 210 V CA -0.597 61.737 62.300 0.057 0.000 0.832 210 V CB 1.260 33.135 31.823 0.086 0.000 0.999 210 V HN 0.689 nan 8.190 nan 0.000 0.439 211 V N 6.669 126.606 119.914 0.039 0.000 2.532 211 V HA 0.559 4.679 4.120 0.000 0.000 0.295 211 V C -0.122 176.013 176.094 0.069 0.000 1.041 211 V CA -0.429 61.896 62.300 0.041 0.000 0.926 211 V CB 1.880 33.717 31.823 0.023 0.000 0.992 211 V HN 0.684 nan 8.190 nan 0.000 0.457 212 I N 3.191 123.811 120.570 0.083 0.000 2.499 212 I HA 0.830 5.000 4.170 0.000 0.000 0.288 212 I C 0.450 176.671 176.117 0.175 0.000 1.048 212 I CA -0.006 61.369 61.300 0.125 0.000 1.062 212 I CB 1.997 40.046 38.000 0.082 0.000 1.238 212 I HN 0.869 nan 8.210 nan 0.000 0.426 213 G N 4.187 113.137 108.800 0.250 0.000 2.452 213 G HA2 0.061 4.021 3.960 0.000 0.000 0.224 213 G HA3 0.061 4.021 3.960 0.000 0.000 0.224 213 G C -1.842 173.134 174.900 0.126 0.000 1.208 213 G CA -0.699 44.568 45.100 0.278 0.000 0.946 213 G HN 0.515 nan 8.290 nan 0.000 0.481 214 D N 1.680 122.118 120.400 0.064 0.000 2.346 214 D HA 0.365 5.005 4.640 0.000 0.000 0.260 214 D C -0.325 175.974 176.300 -0.001 0.000 1.252 214 D CA -1.441 52.552 54.000 -0.011 0.000 0.895 214 D CB 1.478 42.279 40.800 0.002 0.000 1.097 214 D HN 0.052 nan 8.370 nan 0.000 0.489 215 P HA -0.235 nan 4.420 nan 0.000 0.216 215 P C 1.216 178.519 177.300 0.004 0.000 1.150 215 P CA 1.847 64.952 63.100 0.008 0.000 0.837 215 P CB 0.039 31.744 31.700 0.008 0.000 0.786 216 K N 0.420 120.815 120.400 -0.008 0.000 2.025 216 K HA 0.028 4.348 4.320 0.000 0.000 0.207 216 K C 2.379 178.974 176.600 -0.008 0.000 1.049 216 K CA 1.817 58.097 56.287 -0.012 0.000 0.933 216 K CB -1.624 30.867 32.500 -0.015 0.000 0.714 216 K HN 0.235 nan 8.250 nan 0.000 0.438 217 A N 0.581 123.400 122.820 -0.002 0.000 1.929 217 A HA 0.133 4.453 4.320 0.000 0.000 0.216 217 A C 2.428 180.015 177.584 0.005 0.000 1.176 217 A CA 1.356 53.394 52.037 0.002 0.000 0.628 217 A CB -0.233 18.772 19.000 0.008 0.000 0.816 217 A HN 0.470 nan 8.150 nan 0.000 0.444 218 I N -0.339 120.238 120.570 0.012 0.000 2.286 218 I HA -0.138 4.032 4.170 0.000 0.000 0.245 218 I C 2.713 178.834 176.117 0.007 0.000 1.104 218 I CA 0.961 62.270 61.300 0.015 0.000 1.397 218 I CB -0.635 37.384 38.000 0.031 0.000 1.072 218 I HN 0.376 nan 8.210 nan 0.000 0.417 219 G N 0.710 109.512 108.800 0.004 0.000 2.459 219 G HA2 -0.264 3.696 3.960 0.000 0.000 0.217 219 G HA3 -0.264 3.696 3.960 0.000 0.000 0.217 219 G C 1.647 176.532 174.900 -0.024 0.000 1.183 219 G CA 1.628 46.721 45.100 -0.012 0.000 0.776 219 G HN 0.300 nan 8.290 nan 0.000 0.552 220 T N 0.759 115.299 114.554 -0.023 0.000 2.665 220 T HA -0.141 4.209 4.350 0.000 0.000 0.268 220 T C 2.193 176.881 174.700 -0.020 0.000 1.035 220 T CA 1.736 63.822 62.100 -0.024 0.000 1.151 220 T CB -0.209 68.648 68.868 -0.019 0.000 0.862 220 T HN 0.403 nan 8.240 nan 0.000 0.438 221 E N 1.025 121.217 120.200 -0.014 0.000 2.110 221 E HA -0.048 4.302 4.350 0.000 0.000 0.193 221 E C 2.008 178.598 176.600 -0.017 0.000 0.988 221 E CA 0.962 57.354 56.400 -0.013 0.000 0.804 221 E CB -0.563 29.132 29.700 -0.009 0.000 0.745 221 E HN 0.556 nan 8.360 nan 0.000 0.458 222 I N 0.460 121.021 120.570 -0.016 0.000 2.179 222 I HA -0.284 3.886 4.170 0.000 0.000 0.242 222 I C 2.413 178.514 176.117 -0.025 0.000 1.088 222 I CA 1.792 63.081 61.300 -0.018 0.000 1.357 222 I CB -0.681 37.315 38.000 -0.008 0.000 1.051 222 I HN 0.309 nan 8.210 nan 0.000 0.409 223 T N -2.023 112.513 114.554 -0.029 0.000 2.857 223 T HA -0.091 4.259 4.350 0.000 0.000 0.266 223 T C 1.895 176.576 174.700 -0.031 0.000 1.048 223 T CA 1.206 63.285 62.100 -0.035 0.000 1.139 223 T CB -0.522 68.318 68.868 -0.046 0.000 0.874 223 T HN 0.419 nan 8.240 nan 0.000 0.455 224 S N 1.032 116.716 115.700 -0.026 0.000 2.470 224 S HA 0.093 4.563 4.470 0.000 0.000 0.225 224 S C 1.030 175.618 174.600 -0.020 0.000 1.006 224 S CA -0.320 57.867 58.200 -0.022 0.000 0.934 224 S CB -0.689 62.500 63.200 -0.019 0.000 0.778 224 S HN 0.461 nan 8.310 nan 0.000 0.517 225 N N 3.714 122.401 118.700 -0.022 0.000 2.452 225 N HA 0.171 4.911 4.740 0.000 0.000 0.266 225 N C -1.832 173.664 175.510 -0.024 0.000 1.175 225 N CA -1.525 51.512 53.050 -0.022 0.000 0.945 225 N CB 1.386 39.859 38.487 -0.024 0.000 1.063 225 N HN 0.135 nan 8.380 nan 0.000 0.472 226 P HA -0.009 nan 4.420 nan 0.000 0.237 226 P C 1.377 178.664 177.300 -0.022 0.000 1.178 226 P CA 0.600 63.690 63.100 -0.017 0.000 0.766 226 P CB 0.470 32.165 31.700 -0.008 0.000 0.876 227 I N -0.501 120.052 120.570 -0.027 0.000 2.286 227 I HA -0.085 4.085 4.170 0.000 0.000 0.245 227 I C 0.797 176.870 176.117 -0.073 0.000 1.104 227 I CA 0.572 61.849 61.300 -0.038 0.000 1.397 227 I CB -0.295 37.685 38.000 -0.033 0.000 1.072 227 I HN -0.273 nan 8.210 nan 0.000 0.417 228 V N 2.883 122.756 119.914 -0.068 0.000 2.425 228 V HA -0.022 4.098 4.120 0.000 0.000 0.276 228 V C 1.193 177.240 176.094 -0.077 0.000 1.017 228 V CA 0.556 62.808 62.300 -0.081 0.000 1.062 228 V CB 0.143 31.931 31.823 -0.059 0.000 0.997 228 V HN 0.342 nan 8.190 nan 0.000 0.476 229 R N 2.728 123.166 120.500 -0.102 0.000 2.308 229 R HA 0.191 4.531 4.340 0.000 0.000 0.202 229 R C 0.456 176.707 176.300 -0.081 0.000 0.898 229 R CA -0.074 55.975 56.100 -0.084 0.000 1.046 229 R CB 0.400 30.643 30.300 -0.095 0.000 1.026 229 R HN 0.552 nan 8.270 nan 0.000 0.512 230 K N 1.176 121.522 120.400 -0.091 0.000 2.565 230 K HA 0.281 4.601 4.320 0.000 0.000 0.249 230 K C -1.989 174.565 176.600 -0.075 0.000 0.958 230 K CA -0.715 55.511 56.287 -0.102 0.000 0.806 230 K CB 1.497 33.913 32.500 -0.140 0.000 1.194 230 K HN -0.073 nan 8.250 nan 0.000 0.434 231 L N 2.619 123.805 121.223 -0.062 0.000 2.362 231 L HA 0.679 5.019 4.340 0.000 0.000 0.275 231 L C -1.322 175.547 176.870 -0.003 0.000 0.998 231 L CA 0.013 54.842 54.840 -0.019 0.000 0.820 231 L CB 2.274 44.329 42.059 -0.006 0.000 1.270 231 L HN 0.652 nan 8.230 nan 0.000 0.415 232 S N 4.746 120.469 115.700 0.038 0.000 2.498 232 S HA 0.652 5.122 4.470 0.000 0.000 0.317 232 S C -1.202 173.482 174.600 0.141 0.000 1.090 232 S CA -0.407 57.829 58.200 0.061 0.000 1.089 232 S CB 0.254 63.487 63.200 0.054 0.000 0.997 232 S HN 0.503 nan 8.310 nan 0.000 0.470 233 F N 3.874 123.821 119.950 -0.006 0.000 2.495 233 F HA 0.676 5.203 4.527 0.000 0.000 0.327 233 F C -0.379 175.426 175.800 0.008 0.000 1.103 233 F CA -0.206 57.794 58.000 -0.000 0.000 0.949 233 F CB 2.099 41.099 39.000 -0.001 0.000 1.142 233 F HN 0.436 nan 8.300 nan 0.000 0.457 234 T N 4.407 118.389 114.554 -0.952 0.000 2.879 234 T HA 0.776 5.126 4.350 0.000 0.000 0.290 234 T C -0.171 173.808 174.700 -1.202 0.000 0.993 234 T CA -0.153 61.483 62.100 -0.773 0.000 0.975 234 T CB 1.165 69.810 68.868 -0.372 0.000 0.981 234 T HN 1.154 nan 8.240 nan 0.000 0.439 235 G N 1.807 110.144 108.800 -0.772 0.000 2.403 235 G HA2 0.291 4.251 3.960 0.000 0.000 0.223 235 G HA3 0.291 4.251 3.960 0.000 0.000 0.223 235 G C -0.510 174.409 174.900 0.031 0.000 1.287 235 G CA -0.260 44.592 45.100 -0.414 0.000 0.982 235 G HN 0.904 nan 8.290 nan 0.000 0.471 236 S N 0.283 116.116 115.700 0.221 0.000 2.525 236 S HA 0.384 4.854 4.470 0.000 0.000 0.285 236 S C 1.759 176.541 174.600 0.302 0.000 1.283 236 S CA 1.181 59.522 58.200 0.235 0.000 1.072 236 S CB 0.528 63.847 63.200 0.198 0.000 0.867 236 S HN 0.959 nan 8.310 nan 0.000 0.492 237 T N 5.651 120.353 114.554 0.247 0.000 2.699 237 T HA -0.175 4.175 4.350 0.000 0.000 0.268 237 T C 2.161 176.974 174.700 0.189 0.000 1.036 237 T CA 1.854 64.113 62.100 0.265 0.000 1.147 237 T CB -0.810 68.300 68.868 0.403 0.000 0.862 237 T HN 0.882 nan 8.240 nan 0.000 0.446 238 A N 0.785 123.706 122.820 0.168 0.000 1.908 238 A HA -0.087 4.233 4.320 0.000 0.000 0.218 238 A C 2.605 180.214 177.584 0.041 0.000 1.181 238 A CA 1.662 53.760 52.037 0.102 0.000 0.627 238 A CB -0.969 18.093 19.000 0.103 0.000 0.818 238 A HN 0.392 nan 8.150 nan 0.000 0.445 239 V N -0.366 119.573 119.914 0.041 0.000 2.379 239 V HA -0.097 4.023 4.120 0.000 0.000 0.245 239 V C 2.828 178.735 176.094 -0.312 0.000 1.044 239 V CA 1.706 63.947 62.300 -0.097 0.000 1.036 239 V CB -1.442 30.365 31.823 -0.026 0.000 0.664 239 V HN 0.600 nan 8.190 nan 0.000 0.453 240 G N -0.055 108.606 108.800 -0.232 0.000 2.450 240 G HA2 -0.260 3.700 3.960 0.000 0.000 0.220 240 G HA3 -0.260 3.700 3.960 0.000 0.000 0.220 240 G C 1.759 176.575 174.900 -0.139 0.000 1.130 240 G CA 0.815 45.760 45.100 -0.259 0.000 0.760 240 G HN 0.434 nan 8.290 nan 0.000 0.557 241 R N -0.326 120.138 120.500 -0.060 0.000 2.062 241 R HA 0.102 4.442 4.340 0.000 0.000 0.231 241 R C 2.647 178.902 176.300 -0.074 0.000 1.136 241 R CA 0.989 57.063 56.100 -0.043 0.000 0.948 241 R CB -0.520 29.775 30.300 -0.008 0.000 0.845 241 R HN 0.313 nan 8.270 nan 0.000 0.430 242 L N 0.717 121.884 121.223 -0.093 0.000 2.042 242 L HA -0.223 4.117 4.340 0.000 0.000 0.210 242 L C 2.371 179.167 176.870 -0.123 0.000 1.076 242 L CA 1.274 56.057 54.840 -0.095 0.000 0.749 242 L CB -0.453 41.551 42.059 -0.091 0.000 0.893 242 L HN 0.228 nan 8.230 nan 0.000 0.432 243 L N -1.159 119.947 121.223 -0.196 0.000 2.056 243 L HA -0.228 4.112 4.340 0.000 0.000 0.207 243 L C 2.644 179.439 176.870 -0.124 0.000 1.078 243 L CA 1.184 55.906 54.840 -0.197 0.000 0.749 243 L CB -0.376 41.479 42.059 -0.340 0.000 0.901 243 L HN 0.324 nan 8.230 nan 0.000 0.433 244 M N -0.026 119.510 119.600 -0.107 0.000 2.108 244 M HA -0.231 4.249 4.480 0.000 0.000 0.261 244 M C 2.360 178.628 176.300 -0.053 0.000 1.066 244 M CA 2.089 57.351 55.300 -0.064 0.000 1.107 244 M CB -0.121 32.451 32.600 -0.046 0.000 1.356 244 M HN 0.244 nan 8.290 nan 0.000 0.406 245 A N -0.079 122.708 122.820 -0.055 0.000 1.908 245 A HA -0.243 4.077 4.320 0.000 0.000 0.218 245 A C 1.937 179.495 177.584 -0.043 0.000 1.181 245 A CA 1.991 54.002 52.037 -0.044 0.000 0.627 245 A CB -0.823 18.152 19.000 -0.042 0.000 0.818 245 A HN 0.733 nan 8.150 nan 0.000 0.445 246 Q N -0.366 119.403 119.800 -0.052 0.000 2.230 246 Q HA -0.048 4.292 4.340 0.000 0.000 0.202 246 Q C 2.016 177.991 176.000 -0.042 0.000 0.963 246 Q CA 1.427 57.202 55.803 -0.047 0.000 0.866 246 Q CB -0.037 28.668 28.738 -0.057 0.000 0.931 246 Q HN 0.635 nan 8.270 nan 0.000 0.452 247 S N 0.431 116.104 115.700 -0.046 0.000 2.562 247 S HA 0.061 4.531 4.470 0.000 0.000 0.221 247 S C 1.794 176.375 174.600 -0.032 0.000 0.975 247 S CA 0.420 58.596 58.200 -0.039 0.000 0.918 247 S CB 0.106 63.281 63.200 -0.042 0.000 0.772 247 S HN 0.419 nan 8.310 nan 0.000 0.531 248 A N 2.997 125.799 122.820 -0.030 0.000 1.865 248 A HA -0.027 4.293 4.320 0.000 0.000 0.217 248 A C -0.142 177.430 177.584 -0.020 0.000 1.191 248 A CA 1.315 53.337 52.037 -0.025 0.000 0.623 248 A CB -1.916 17.070 19.000 -0.024 0.000 0.826 248 A HN 0.356 nan 8.150 nan 0.000 0.444 249 P HA -0.104 nan 4.420 nan 0.000 0.222 249 P C 0.919 178.210 177.300 -0.014 0.000 1.142 249 P CA 1.896 64.987 63.100 -0.016 0.000 0.788 249 P CB -0.145 31.546 31.700 -0.016 0.000 0.767 250 T N -6.244 108.299 114.554 -0.017 0.000 3.145 250 T HA 0.225 4.575 4.350 0.000 0.000 0.281 250 T C 0.407 175.097 174.700 -0.016 0.000 1.003 250 T CA -0.346 61.745 62.100 -0.015 0.000 0.901 250 T CB -0.727 68.130 68.868 -0.018 0.000 1.112 250 T HN -0.161 nan 8.240 nan 0.000 0.535 251 V N 0.741 120.645 119.914 -0.017 0.000 5.616 251 V HA -0.235 3.885 4.120 0.000 0.000 0.301 251 V C 0.331 176.413 176.094 -0.021 0.000 0.564 251 V CA 0.725 63.015 62.300 -0.016 0.000 0.653 251 V CB -2.333 29.484 31.823 -0.010 0.000 0.372 251 V HN 0.704 nan 8.190 nan 0.000 1.029 252 K N 0.400 120.783 120.400 -0.028 0.000 2.326 252 K HA 0.355 4.675 4.320 0.000 0.000 0.275 252 K C 0.388 176.964 176.600 -0.040 0.000 1.018 252 K CA -0.705 55.560 56.287 -0.036 0.000 0.962 252 K CB 0.741 33.216 32.500 -0.041 0.000 0.953 252 K HN 0.334 nan 8.250 nan 0.000 0.475 253 K N 3.383 123.752 120.400 -0.051 0.000 2.412 253 K HA 0.031 4.351 4.320 0.000 0.000 0.284 253 K C -0.755 175.801 176.600 -0.075 0.000 1.046 253 K CA 0.114 56.363 56.287 -0.064 0.000 0.999 253 K CB 0.234 32.685 32.500 -0.082 0.000 0.941 253 K HN 0.321 nan 8.250 nan 0.000 0.474 254 L N 4.354 125.543 121.223 -0.056 0.000 2.322 254 L HA 0.412 4.752 4.340 0.000 0.000 0.281 254 L C -0.408 176.440 176.870 -0.037 0.000 1.014 254 L CA -0.342 54.474 54.840 -0.039 0.000 0.815 254 L CB 1.796 43.845 42.059 -0.017 0.000 1.247 254 L HN 0.729 nan 8.230 nan 0.000 0.421 255 T N 5.264 119.802 114.554 -0.027 0.000 2.770 255 T HA 0.589 4.939 4.350 0.000 0.000 0.283 255 T C -0.032 174.705 174.700 0.063 0.000 0.988 255 T CA -0.317 61.783 62.100 -0.001 0.000 0.957 255 T CB 0.943 69.795 68.868 -0.026 0.000 0.930 255 T HN 0.272 nan 8.240 nan 0.000 0.443 256 L N 3.782 125.049 121.223 0.074 0.000 2.345 256 L HA 0.426 4.766 4.340 0.000 0.000 0.274 256 L C 0.106 177.034 176.870 0.096 0.000 0.999 256 L CA -0.768 54.153 54.840 0.134 0.000 0.849 256 L CB 1.327 43.470 42.059 0.140 0.000 1.220 256 L HN 0.507 nan 8.230 nan 0.000 0.422 257 E N 5.859 126.103 120.200 0.074 0.000 1.998 257 E HA 0.372 4.722 4.350 0.000 0.000 0.257 257 E C -0.266 176.352 176.600 0.029 0.000 1.038 257 E CA -0.166 56.265 56.400 0.052 0.000 0.869 257 E CB 1.315 31.069 29.700 0.090 0.000 1.135 257 E HN 0.527 nan 8.360 nan 0.000 0.430 258 L N -0.099 121.168 121.223 0.073 0.000 2.635 258 L HA 0.523 4.863 4.340 0.000 0.000 0.250 258 L C 1.259 178.162 176.870 0.056 0.000 1.117 258 L CA -1.159 53.745 54.840 0.105 0.000 0.834 258 L CB 0.237 42.410 42.059 0.190 0.000 1.544 258 L HN 0.333 nan 8.230 nan 0.000 0.511 259 G N -1.308 107.508 108.800 0.027 0.000 2.636 259 G HA2 0.445 4.405 3.960 0.000 0.000 0.246 259 G HA3 0.445 4.405 3.960 0.000 0.000 0.246 259 G C -0.123 174.605 174.900 -0.287 0.000 1.216 259 G CA 0.270 45.289 45.100 -0.136 0.000 0.854 259 G HN 0.765 nan 8.290 nan 0.000 0.572 260 G N -1.041 107.573 108.800 -0.310 0.000 3.217 260 G HA2 0.449 4.409 3.960 0.000 0.000 0.213 260 G HA3 0.449 4.409 3.960 0.000 0.000 0.213 260 G C -0.316 174.439 174.900 -0.243 0.000 1.294 260 G CA -0.405 44.590 45.100 -0.175 0.000 0.987 260 G HN 0.726 nan 8.290 nan 0.000 0.584 261 N N -1.104 117.606 118.700 0.017 0.000 2.570 261 N HA 0.261 5.001 4.740 0.000 0.000 0.261 261 N C 0.046 175.604 175.510 0.080 0.000 1.540 261 N CA 0.090 53.165 53.050 0.042 0.000 0.959 261 N CB 0.253 38.847 38.487 0.179 0.000 1.449 261 N HN 0.727 nan 8.380 nan 0.000 0.519 262 A N 1.824 124.656 122.820 0.020 0.000 2.583 262 A HA 0.217 4.537 4.320 0.000 0.000 0.249 262 A C -2.204 175.347 177.584 -0.054 0.000 1.035 262 A CA 0.029 52.035 52.037 -0.052 0.000 0.777 262 A CB -0.346 18.662 19.000 0.014 0.000 0.942 262 A HN 0.317 nan 8.150 nan 0.000 0.516 263 P HA 0.385 nan 4.420 nan 0.000 0.296 263 P C -0.998 176.321 177.300 0.031 0.000 1.306 263 P CA -0.227 62.867 63.100 -0.010 0.000 0.818 263 P CB 0.793 32.477 31.700 -0.027 0.000 0.969 264 F N 4.350 124.248 119.950 -0.086 0.000 2.361 264 F HA 0.494 5.021 4.527 0.000 0.000 0.364 264 F C -0.424 175.416 175.800 0.068 0.000 1.117 264 F CA -0.792 57.191 58.000 -0.029 0.000 1.071 264 F CB 0.567 39.335 39.000 -0.387 0.000 1.188 264 F HN 0.129 nan 8.300 nan 0.000 0.464 265 I N 6.882 127.417 120.570 -0.058 0.000 2.339 265 I HA 0.350 4.520 4.170 0.000 0.000 0.290 265 I C -1.016 175.111 176.117 0.017 0.000 0.994 265 I CA -0.791 60.494 61.300 -0.024 0.000 1.191 265 I CB 1.624 39.511 38.000 -0.189 0.000 1.343 265 I HN 0.213 nan 8.210 nan 0.000 0.458 266 V N 7.302 127.264 119.914 0.079 0.000 2.349 266 V HA 0.375 4.495 4.120 0.000 0.000 0.284 266 V C -0.135 176.045 176.094 0.144 0.000 1.014 266 V CA -0.520 61.829 62.300 0.082 0.000 0.826 266 V CB 0.835 32.548 31.823 -0.183 0.000 1.009 266 V HN 0.388 nan 8.190 nan 0.000 0.431 267 F N 2.560 122.689 119.950 0.298 0.000 2.375 267 F HA 0.285 4.812 4.527 0.000 0.000 0.313 267 F C 1.675 177.508 175.800 0.055 0.000 1.176 267 F CA -0.383 57.776 58.000 0.264 0.000 1.142 267 F CB 0.690 39.824 39.000 0.223 0.000 1.275 267 F HN 0.639 nan 8.300 nan 0.000 0.544 268 D N -0.709 119.714 120.400 0.037 0.000 2.219 268 D HA -0.176 4.464 4.640 0.000 0.000 0.205 268 D C 0.891 177.205 176.300 0.023 0.000 0.970 268 D CA 1.184 55.119 54.000 -0.108 0.000 0.851 268 D CB -0.742 39.826 40.800 -0.385 0.000 0.943 268 D HN 0.554 nan 8.370 nan 0.000 0.488 269 D N 0.282 120.729 120.400 0.078 0.000 2.395 269 D HA 0.192 4.832 4.640 0.000 0.000 0.226 269 D C 0.088 176.464 176.300 0.126 0.000 1.146 269 D CA -0.445 53.600 54.000 0.075 0.000 0.830 269 D CB -0.278 40.542 40.800 0.034 0.000 0.958 269 D HN 0.185 nan 8.370 nan 0.000 0.501 270 A N 0.517 123.447 122.820 0.183 0.000 2.316 270 A HA 0.238 4.558 4.320 0.000 0.000 0.284 270 A C 0.058 177.760 177.584 0.197 0.000 1.115 270 A CA -0.606 51.570 52.037 0.231 0.000 0.812 270 A CB 0.681 19.865 19.000 0.307 0.000 1.064 270 A HN 0.102 nan 8.150 nan 0.000 0.489 271 D N 2.310 122.840 120.400 0.217 0.000 2.346 271 D HA 0.067 4.707 4.640 0.000 0.000 0.267 271 D C 0.863 177.280 176.300 0.195 0.000 1.320 271 D CA -0.245 53.866 54.000 0.185 0.000 0.951 271 D CB 0.324 41.234 40.800 0.183 0.000 1.079 271 D HN 0.262 nan 8.370 nan 0.000 0.509 272 L N 4.064 125.386 121.223 0.165 0.000 2.042 272 L HA -0.165 4.175 4.340 0.000 0.000 0.210 272 L C 1.903 178.861 176.870 0.146 0.000 1.076 272 L CA 1.498 56.451 54.840 0.188 0.000 0.749 272 L CB -0.600 41.558 42.059 0.163 0.000 0.893 272 L HN 0.437 nan 8.230 nan 0.000 0.432 273 D N -0.779 119.680 120.400 0.098 0.000 2.144 273 D HA -0.116 4.524 4.640 0.000 0.000 0.199 273 D C 2.172 178.520 176.300 0.080 0.000 0.984 273 D CA 1.404 55.439 54.000 0.059 0.000 0.834 273 D CB 0.053 40.881 40.800 0.046 0.000 0.955 273 D HN 0.339 nan 8.370 nan 0.000 0.465 274 A N 1.000 123.900 122.820 0.134 0.000 1.929 274 A HA 0.049 4.369 4.320 0.000 0.000 0.216 274 A C 2.307 179.983 177.584 0.154 0.000 1.176 274 A CA 1.742 53.901 52.037 0.203 0.000 0.628 274 A CB -0.492 18.684 19.000 0.294 0.000 0.816 274 A HN 0.216 nan 8.150 nan 0.000 0.444 275 A N -0.473 122.337 122.820 -0.017 0.000 1.933 275 A HA -0.006 4.314 4.320 0.000 0.000 0.218 275 A C 2.183 179.792 177.584 0.042 0.000 1.175 275 A CA 1.797 53.600 52.037 -0.389 0.000 0.628 275 A CB -0.802 18.164 19.000 -0.056 0.000 0.814 275 A HN 0.370 nan 8.150 nan 0.000 0.444 276 V N -0.008 119.952 119.914 0.078 0.000 2.453 276 V HA -0.158 3.962 4.120 0.000 0.000 0.247 276 V C 3.076 179.150 176.094 -0.034 0.000 1.048 276 V CA 2.388 64.643 62.300 -0.075 0.000 1.049 276 V CB -1.234 30.466 31.823 -0.204 0.000 0.672 276 V HN 0.785 nan 8.190 nan 0.000 0.457 277 E N 0.631 120.848 120.200 0.029 0.000 2.085 277 E HA -0.209 4.141 4.350 0.000 0.000 0.194 277 E C 2.300 178.967 176.600 0.110 0.000 0.994 277 E CA 1.647 58.086 56.400 0.065 0.000 0.801 277 E CB -1.274 28.486 29.700 0.100 0.000 0.743 277 E HN 0.657 nan 8.360 nan 0.000 0.453 278 G N -0.156 108.754 108.800 0.183 0.000 2.448 278 G HA2 0.157 4.117 3.960 0.000 0.000 0.218 278 G HA3 0.157 4.117 3.960 0.000 0.000 0.218 278 G C 1.930 176.934 174.900 0.173 0.000 1.135 278 G CA 1.422 46.716 45.100 0.323 0.000 0.784 278 G HN 0.816 nan 8.290 nan 0.000 0.543 279 A N 1.315 124.110 122.820 -0.041 0.000 1.855 279 A HA 0.063 4.383 4.320 0.000 0.000 0.215 279 A C 2.308 179.883 177.584 -0.016 0.000 1.191 279 A CA 1.219 53.090 52.037 -0.277 0.000 0.613 279 A CB -0.298 18.611 19.000 -0.152 0.000 0.829 279 A HN 0.232 nan 8.150 nan 0.000 0.442 280 I N 0.243 120.847 120.570 0.057 0.000 2.163 280 I HA -0.268 3.902 4.170 0.000 0.000 0.243 280 I C 2.923 179.136 176.117 0.160 0.000 1.085 280 I CA 1.625 63.026 61.300 0.170 0.000 1.347 280 I CB -1.681 36.352 38.000 0.054 0.000 1.044 280 I HN 0.368 nan 8.210 nan 0.000 0.408 281 A N 0.868 123.742 122.820 0.090 0.000 1.930 281 A HA -0.170 4.150 4.320 0.000 0.000 0.217 281 A C 2.494 180.101 177.584 0.039 0.000 1.175 281 A CA 2.182 54.265 52.037 0.077 0.000 0.627 281 A CB -0.732 18.315 19.000 0.078 0.000 0.815 281 A HN 0.565 nan 8.150 nan 0.000 0.443 282 S N -1.035 114.640 115.700 -0.041 0.000 2.446 282 S HA -0.009 4.461 4.470 0.000 0.000 0.225 282 S C 1.676 176.211 174.600 -0.108 0.000 1.016 282 S CA 1.382 59.479 58.200 -0.172 0.000 0.943 282 S CB 0.030 62.946 63.200 -0.473 0.000 0.786 282 S HN 0.469 nan 8.310 nan 0.000 0.508 283 K N -0.079 120.271 120.400 -0.083 0.000 2.306 283 K HA 0.337 4.657 4.320 0.000 0.000 0.200 283 K C 0.963 177.428 176.600 -0.224 0.000 1.083 283 K CA 0.495 56.673 56.287 -0.181 0.000 0.959 283 K CB -0.209 32.174 32.500 -0.195 0.000 0.994 283 K HN 0.385 nan 8.250 nan 0.000 0.492 284 Y N 0.743 121.082 120.300 0.066 0.000 2.462 284 Y HA 0.298 4.848 4.550 0.000 0.000 0.253 284 Y C 0.178 176.125 175.900 0.078 0.000 1.095 284 Y CA -0.323 57.820 58.100 0.072 0.000 1.283 284 Y CB 0.244 38.732 38.460 0.046 0.000 1.138 284 Y HN -0.069 nan 8.280 nan 0.000 0.522 285 R N 1.439 122.058 120.500 0.197 0.000 2.537 285 R HA 0.013 4.353 4.340 0.000 0.000 0.280 285 R C 0.347 176.747 176.300 0.167 0.000 1.058 285 R CA 0.382 56.578 56.100 0.161 0.000 1.057 285 R CB -0.036 30.347 30.300 0.137 0.000 0.973 285 R HN 0.230 nan 8.270 nan 0.000 0.438 286 N N 1.969 120.754 118.700 0.143 0.000 2.721 286 N HA -0.287 4.453 4.740 0.000 0.000 0.249 286 N C -0.824 174.780 175.510 0.156 0.000 1.072 286 N CA 1.323 54.448 53.050 0.124 0.000 0.710 286 N CB -1.215 37.354 38.487 0.138 0.000 0.993 286 N HN 0.962 nan 8.380 nan 0.000 0.547 287 N N -1.050 117.752 118.700 0.169 0.000 2.708 287 N HA -0.201 4.539 4.740 0.000 0.000 0.249 287 N C 0.857 176.469 175.510 0.169 0.000 1.097 287 N CA 2.451 55.615 53.050 0.189 0.000 0.710 287 N CB -1.407 37.178 38.487 0.164 0.000 1.032 287 N HN 1.280 nan 8.380 nan 0.000 0.551 288 G N -1.676 107.207 108.800 0.137 0.000 2.148 288 G HA2 -0.357 3.603 3.960 0.000 0.000 0.254 288 G HA3 -0.357 3.603 3.960 0.000 0.000 0.254 288 G C 0.492 175.505 174.900 0.188 0.000 0.981 288 G CA 0.644 45.799 45.100 0.091 0.000 0.670 288 G HN 0.589 nan 8.290 nan 0.000 0.528 289 Q N 0.233 120.182 119.800 0.249 0.000 2.319 289 Q HA 0.195 4.535 4.340 0.000 0.000 0.202 289 Q C 1.492 177.656 176.000 0.272 0.000 0.896 289 Q CA 0.686 56.693 55.803 0.340 0.000 0.942 289 Q CB 0.538 29.506 28.738 0.383 0.000 1.083 289 Q HN 0.719 nan 8.270 nan 0.000 0.510 290 T N -3.309 111.409 114.554 0.275 0.000 2.899 290 T HA 0.052 4.402 4.350 0.000 0.000 0.295 290 T C 1.379 176.216 174.700 0.228 0.000 1.033 290 T CA -0.719 61.547 62.100 0.275 0.000 1.084 290 T CB 1.333 70.387 68.868 0.309 0.000 0.979 290 T HN 0.213 nan 8.240 nan 0.000 0.532 291 C N 1.996 121.397 119.300 0.170 0.000 2.403 291 C HA -0.053 4.407 4.460 0.000 0.000 0.279 291 C C 2.592 177.685 174.990 0.172 0.000 1.269 291 C CA 0.801 59.931 59.018 0.186 0.000 1.774 291 C CB -1.708 26.150 27.740 0.196 0.000 1.993 291 C HN 0.897 nan 8.230 nan 0.000 0.496 292 V N -2.903 117.123 119.914 0.186 0.000 3.542 292 V HA 0.285 4.405 4.120 0.000 0.000 0.296 292 V C 0.781 177.005 176.094 0.216 0.000 1.364 292 V CA -0.578 61.831 62.300 0.183 0.000 1.118 292 V CB -1.745 30.225 31.823 0.244 0.000 0.972 292 V HN 0.518 nan 8.190 nan 0.000 0.430 293 C N 2.315 121.707 119.300 0.152 0.000 2.634 293 C HA 0.245 4.705 4.460 0.000 0.000 0.417 293 C C 1.450 176.481 174.990 0.067 0.000 1.334 293 C CA 0.583 59.662 59.018 0.102 0.000 1.829 293 C CB -0.203 27.569 27.740 0.055 0.000 2.665 293 C HN 0.646 nan 8.230 nan 0.000 0.614 294 T N 3.865 118.429 114.554 0.016 0.000 2.867 294 T HA -0.022 4.328 4.350 0.000 0.000 0.297 294 T C 0.952 175.554 174.700 -0.162 0.000 0.989 294 T CA 0.651 62.684 62.100 -0.112 0.000 1.159 294 T CB 0.093 68.669 68.868 -0.486 0.000 0.928 294 T HN 0.790 nan 8.240 nan 0.000 0.538 295 N N 2.550 121.177 118.700 -0.122 0.000 2.294 295 N HA 0.105 4.845 4.740 0.000 0.000 0.186 295 N C -0.118 175.383 175.510 -0.015 0.000 1.107 295 N CA 0.094 53.100 53.050 -0.074 0.000 0.884 295 N CB 0.566 39.004 38.487 -0.081 0.000 1.030 295 N HN 0.444 nan 8.380 nan 0.000 0.482 296 R N -0.051 120.388 120.500 -0.101 0.000 2.510 296 R HA 0.251 4.591 4.340 0.000 0.000 0.294 296 R C -1.554 174.618 176.300 -0.212 0.000 1.056 296 R CA -0.569 55.465 56.100 -0.111 0.000 0.918 296 R CB 1.035 31.099 30.300 -0.394 0.000 1.187 296 R HN -0.024 nan 8.270 nan 0.000 0.437 297 F N 2.871 122.838 119.950 0.029 0.000 2.411 297 F HA 0.379 4.906 4.527 0.000 0.000 0.350 297 F C 0.004 175.784 175.800 -0.033 0.000 1.114 297 F CA -0.263 57.792 58.000 0.092 0.000 1.135 297 F CB 0.717 39.791 39.000 0.123 0.000 1.120 297 F HN 0.326 nan 8.300 nan 0.000 0.495 298 F N 3.347 123.484 119.950 0.311 0.000 2.347 298 F HA 0.496 5.023 4.527 0.000 0.000 0.366 298 F C -0.504 175.536 175.800 0.400 0.000 1.107 298 F CA -0.964 57.208 58.000 0.287 0.000 1.058 298 F CB 1.155 40.125 39.000 -0.050 0.000 1.236 298 F HN 0.010 nan 8.300 nan 0.000 0.456 299 V N 3.116 123.373 119.914 0.572 0.000 2.459 299 V HA 0.220 4.340 4.120 0.000 0.000 0.295 299 V C 0.234 176.389 176.094 0.100 0.000 1.029 299 V CA -0.992 61.493 62.300 0.307 0.000 0.874 299 V CB 1.206 33.122 31.823 0.154 0.000 0.985 299 V HN 0.565 nan 8.190 nan 0.000 0.438 300 H N 4.081 122.935 119.070 -0.361 0.000 3.034 300 H HA -0.010 4.546 4.556 0.000 0.000 0.324 300 H C 1.443 176.599 175.328 -0.286 0.000 1.015 300 H CA 0.859 56.412 56.048 -0.826 0.000 1.429 300 H CB 0.979 30.423 29.762 -0.530 0.000 1.429 300 H HN 0.970 nan 8.280 nan 0.000 0.585 301 E N 4.404 124.375 120.200 -0.382 0.000 2.187 301 E HA -0.245 4.105 4.350 0.000 0.000 0.199 301 E C 1.149 177.817 176.600 0.112 0.000 1.004 301 E CA 1.340 57.680 56.400 -0.100 0.000 0.813 301 E CB -0.028 29.559 29.700 -0.190 0.000 0.736 301 E HN 0.599 nan 8.360 nan 0.000 0.468 302 R N 0.769 121.447 120.500 0.297 0.000 2.313 302 R HA 0.039 4.379 4.340 0.000 0.000 0.199 302 R C 1.442 177.828 176.300 0.143 0.000 0.958 302 R CA 1.019 57.234 56.100 0.192 0.000 1.047 302 R CB 0.539 30.926 30.300 0.144 0.000 0.955 302 R HN 0.331 nan 8.270 nan 0.000 0.481 303 V N -4.692 115.327 119.914 0.174 0.000 3.337 303 V HA 0.113 4.233 4.120 0.000 0.000 0.307 303 V C 1.366 177.585 176.094 0.208 0.000 1.505 303 V CA -0.541 61.853 62.300 0.157 0.000 1.072 303 V CB -0.707 31.192 31.823 0.127 0.000 0.929 303 V HN 0.008 nan 8.190 nan 0.000 0.455 304 Y N 2.643 122.998 120.300 0.093 0.000 2.053 304 Y HA -0.228 4.322 4.550 0.000 0.000 0.277 304 Y C 2.288 178.264 175.900 0.127 0.000 1.159 304 Y CA 2.691 60.855 58.100 0.108 0.000 1.125 304 Y CB -0.116 38.380 38.460 0.060 0.000 0.969 304 Y HN 0.303 nan 8.280 nan 0.000 0.492 305 D N -0.052 120.486 120.400 0.229 0.000 2.092 305 D HA -0.233 4.407 4.640 0.000 0.000 0.193 305 D C 2.280 178.597 176.300 0.029 0.000 0.994 305 D CA 1.669 55.735 54.000 0.109 0.000 0.828 305 D CB -0.807 40.067 40.800 0.122 0.000 0.963 305 D HN 0.487 nan 8.370 nan 0.000 0.450 306 A N 0.420 123.280 122.820 0.066 0.000 1.940 306 A HA -0.180 4.140 4.320 0.000 0.000 0.219 306 A C 2.103 179.707 177.584 0.032 0.000 1.176 306 A CA 1.110 53.174 52.037 0.046 0.000 0.631 306 A CB -0.919 18.125 19.000 0.073 0.000 0.814 306 A HN 0.247 nan 8.150 nan 0.000 0.446 307 F N 0.729 120.632 119.950 -0.079 0.000 2.128 307 F HA 0.063 4.590 4.527 0.000 0.000 0.295 307 F C 2.533 178.212 175.800 -0.201 0.000 1.100 307 F CA 1.038 58.967 58.000 -0.119 0.000 1.260 307 F CB -0.460 38.481 39.000 -0.097 0.000 1.009 307 F HN 0.244 nan 8.300 nan 0.000 0.476 308 A N 0.199 122.897 122.820 -0.203 0.000 1.917 308 A HA -0.238 4.082 4.320 0.000 0.000 0.219 308 A C 1.924 179.336 177.584 -0.288 0.000 1.182 308 A CA 2.272 54.116 52.037 -0.321 0.000 0.633 308 A CB -1.091 17.715 19.000 -0.324 0.000 0.819 308 A HN 0.461 nan 8.150 nan 0.000 0.448 309 D N -0.412 119.869 120.400 -0.198 0.000 2.077 309 D HA -0.093 4.547 4.640 0.000 0.000 0.196 309 D C 1.989 178.171 176.300 -0.197 0.000 0.986 309 D CA 1.515 55.421 54.000 -0.156 0.000 0.829 309 D CB -0.345 40.401 40.800 -0.090 0.000 0.983 309 D HN 0.476 nan 8.370 nan 0.000 0.453 310 K N 0.027 120.293 120.400 -0.222 0.000 2.103 310 K HA -0.140 4.180 4.320 0.000 0.000 0.207 310 K C 2.028 178.432 176.600 -0.326 0.000 1.048 310 K CA 0.562 56.707 56.287 -0.237 0.000 0.930 310 K CB -0.218 32.153 32.500 -0.215 0.000 0.716 310 K HN 0.040 nan 8.250 nan 0.000 0.444 311 L N 0.917 121.837 121.223 -0.505 0.000 2.027 311 L HA -0.104 4.236 4.340 0.000 0.000 0.206 311 L C 2.195 178.855 176.870 -0.350 0.000 1.074 311 L CA 1.816 56.329 54.840 -0.545 0.000 0.745 311 L CB -0.660 40.895 42.059 -0.841 0.000 0.898 311 L HN 0.126 nan 8.230 nan 0.000 0.433 312 A N -0.452 122.194 122.820 -0.290 0.000 1.933 312 A HA -0.111 4.209 4.320 0.000 0.000 0.218 312 A C 2.429 179.905 177.584 -0.180 0.000 1.175 312 A CA 1.796 53.710 52.037 -0.205 0.000 0.628 312 A CB -1.128 17.774 19.000 -0.163 0.000 0.814 312 A HN 0.592 nan 8.150 nan 0.000 0.444 313 A N -0.370 122.344 122.820 -0.176 0.000 1.930 313 A HA 0.250 4.570 4.320 0.000 0.000 0.217 313 A C 2.430 179.925 177.584 -0.148 0.000 1.175 313 A CA 1.781 53.733 52.037 -0.142 0.000 0.627 313 A CB -0.803 18.124 19.000 -0.123 0.000 0.815 313 A HN 1.002 nan 8.150 nan 0.000 0.443 314 A N -0.770 121.941 122.820 -0.180 0.000 1.968 314 A HA 0.122 4.442 4.320 0.000 0.000 0.217 314 A C 2.128 179.587 177.584 -0.209 0.000 1.169 314 A CA 1.456 53.388 52.037 -0.174 0.000 0.638 314 A CB -0.590 18.301 19.000 -0.182 0.000 0.812 314 A HN 0.316 nan 8.150 nan 0.000 0.446 315 V N 0.898 120.658 119.914 -0.257 0.000 2.453 315 V HA -0.175 3.945 4.120 0.000 0.000 0.247 315 V C 2.823 178.774 176.094 -0.239 0.000 1.048 315 V CA 2.147 64.243 62.300 -0.340 0.000 1.049 315 V CB -0.495 31.109 31.823 -0.364 0.000 0.672 315 V HN 0.789 nan 8.190 nan 0.000 0.457 316 S N 0.354 115.951 115.700 -0.171 0.000 2.515 316 S HA -0.065 4.405 4.470 0.000 0.000 0.231 316 S C 1.866 176.403 174.600 -0.106 0.000 0.987 316 S CA 1.155 59.281 58.200 -0.123 0.000 0.936 316 S CB -0.330 62.809 63.200 -0.102 0.000 0.766 316 S HN 0.622 nan 8.310 nan 0.000 0.528 317 K N 1.031 121.362 120.400 -0.116 0.000 2.361 317 K HA 0.489 4.809 4.320 0.000 0.000 0.196 317 K C 0.762 177.309 176.600 -0.089 0.000 1.039 317 K CA 0.319 56.552 56.287 -0.091 0.000 1.001 317 K CB -0.689 31.760 32.500 -0.085 0.000 0.795 317 K HN 0.575 nan 8.250 nan 0.000 0.495 318 L N 1.306 122.457 121.223 -0.120 0.000 2.397 318 L HA 0.265 4.605 4.340 0.000 0.000 0.271 318 L C 0.348 177.173 176.870 -0.075 0.000 1.148 318 L CA -0.372 54.403 54.840 -0.107 0.000 0.825 318 L CB 1.382 43.338 42.059 -0.173 0.000 1.117 318 L HN 0.241 nan 8.230 nan 0.000 0.456 319 K N 2.179 122.549 120.400 -0.049 0.000 2.323 319 K HA 0.469 4.789 4.320 0.000 0.000 0.259 319 K C -1.194 175.378 176.600 -0.046 0.000 0.947 319 K CA -0.649 55.612 56.287 -0.043 0.000 0.819 319 K CB 1.815 34.291 32.500 -0.040 0.000 1.109 319 K HN 0.301 nan 8.250 nan 0.000 0.429 320 V N 2.942 122.808 119.914 -0.080 0.000 2.546 320 V HA 0.685 4.805 4.120 0.000 0.000 0.284 320 V C 0.630 176.541 176.094 -0.305 0.000 1.050 320 V CA 0.100 62.298 62.300 -0.170 0.000 0.981 320 V CB 1.025 32.656 31.823 -0.320 0.000 0.990 320 V HN 1.028 nan 8.190 nan 0.000 0.474 321 G N 2.448 111.080 108.800 -0.280 0.000 2.328 321 G HA2 0.569 4.529 3.960 0.000 0.000 0.295 321 G HA3 0.569 4.529 3.960 0.000 0.000 0.295 321 G C -0.653 174.255 174.900 0.013 0.000 1.413 321 G CA -0.447 44.424 45.100 -0.382 0.000 0.817 321 G HN 0.890 nan 8.290 nan 0.000 0.546 322 R N -0.512 120.028 120.500 0.067 0.000 2.585 322 R HA 0.526 4.866 4.340 0.000 0.000 0.275 322 R C 1.728 178.107 176.300 0.132 0.000 1.018 322 R CA 1.150 57.408 56.100 0.263 0.000 1.072 322 R CB -0.162 30.245 30.300 0.178 0.000 0.953 322 R HN 2.278 nan 8.270 nan 0.000 0.419 323 G N 0.317 109.193 108.800 0.127 0.000 2.501 323 G HA2 -0.257 3.703 3.960 0.000 0.000 0.220 323 G HA3 -0.257 3.703 3.960 0.000 0.000 0.220 323 G C 1.523 176.450 174.900 0.044 0.000 1.114 323 G CA 1.521 46.665 45.100 0.073 0.000 0.757 323 G HN 0.910 nan 8.290 nan 0.000 0.559 324 T N -1.665 112.914 114.554 0.041 0.000 3.023 324 T HA 0.117 4.467 4.350 0.000 0.000 0.266 324 T C 0.977 175.687 174.700 0.016 0.000 1.093 324 T CA 0.245 62.359 62.100 0.024 0.000 1.129 324 T CB 0.161 69.041 68.868 0.020 0.000 0.899 324 T HN 0.393 nan 8.240 nan 0.000 0.491 325 E N 1.656 121.866 120.200 0.016 0.000 2.373 325 E HA 0.239 4.589 4.350 0.000 0.000 0.267 325 E C -0.642 175.957 176.600 -0.000 0.000 1.032 325 E CA -0.278 56.123 56.400 0.002 0.000 0.889 325 E CB 0.600 30.293 29.700 -0.012 0.000 0.984 325 E HN 0.172 nan 8.360 nan 0.000 0.425 326 S N 1.601 117.298 115.700 -0.005 0.000 2.549 326 S HA 0.321 4.791 4.470 0.000 0.000 0.279 326 S C 0.847 175.441 174.600 -0.010 0.000 1.321 326 S CA 0.611 58.807 58.200 -0.005 0.000 1.054 326 S CB 0.925 64.122 63.200 -0.006 0.000 0.899 326 S HN 0.828 nan 8.310 nan 0.000 0.497 327 G N 2.293 111.089 108.800 -0.006 0.000 2.205 327 G HA2 -0.238 3.722 3.960 0.000 0.000 0.261 327 G HA3 -0.238 3.722 3.960 0.000 0.000 0.261 327 G C 0.249 175.142 174.900 -0.011 0.000 0.980 327 G CA 0.008 45.102 45.100 -0.010 0.000 0.632 327 G HN 1.247 nan 8.290 nan 0.000 0.533 328 A N 0.797 123.612 122.820 -0.008 0.000 2.484 328 A HA 0.610 4.930 4.320 0.000 0.000 0.268 328 A C 1.433 179.028 177.584 0.017 0.000 1.114 328 A CA 1.555 53.590 52.037 -0.004 0.000 0.780 328 A CB 0.101 19.103 19.000 0.003 0.000 1.061 328 A HN 1.283 nan 8.150 nan 0.000 0.505 329 T N 0.578 115.142 114.554 0.016 0.000 2.971 329 T HA 0.344 4.694 4.350 0.000 0.000 0.252 329 T C 0.226 174.961 174.700 0.058 0.000 1.022 329 T CA 0.158 62.276 62.100 0.030 0.000 0.980 329 T CB -0.194 68.680 68.868 0.010 0.000 1.044 329 T HN 0.343 nan 8.240 nan 0.000 0.501 330 L N 2.212 123.476 121.223 0.069 0.000 2.342 330 L HA 0.704 5.044 4.340 0.000 0.000 0.276 330 L C 0.805 177.785 176.870 0.182 0.000 0.997 330 L CA -1.047 53.866 54.840 0.121 0.000 0.838 330 L CB 1.653 43.784 42.059 0.120 0.000 1.224 330 L HN 0.271 nan 8.230 nan 0.000 0.416 331 G N 3.373 112.280 108.800 0.178 0.000 2.535 331 G HA2 0.529 4.489 3.960 0.000 0.000 0.282 331 G HA3 0.529 4.489 3.960 0.000 0.000 0.282 331 G C -2.642 172.325 174.900 0.112 0.000 1.350 331 G CA -0.922 44.307 45.100 0.215 0.000 1.039 331 G HN 0.306 nan 8.290 nan 0.000 0.509 332 P HA 0.304 nan 4.420 nan 0.000 0.278 332 P C -0.505 176.660 177.300 -0.225 0.000 1.258 332 P CA -0.737 61.999 63.100 -0.606 0.000 0.811 332 P CB 1.033 32.020 31.700 -1.190 0.000 1.063 333 L N 1.459 122.586 121.223 -0.160 0.000 2.464 333 L HA 0.039 4.379 4.340 0.000 0.000 0.264 333 L C 2.083 178.835 176.870 -0.197 0.000 1.199 333 L CA 0.087 54.863 54.840 -0.107 0.000 0.818 333 L CB -0.858 41.160 42.059 -0.068 0.000 1.102 333 L HN 0.343 nan 8.230 nan 0.000 0.473 334 I N 1.630 122.036 120.570 -0.273 0.000 2.286 334 I HA -0.197 3.973 4.170 0.000 0.000 0.248 334 I C 0.661 176.569 176.117 -0.348 0.000 1.115 334 I CA 1.269 62.309 61.300 -0.432 0.000 1.392 334 I CB -0.247 37.139 38.000 -1.023 0.000 1.065 334 I HN 0.998 nan 8.210 nan 0.000 0.418 335 N N -3.258 115.266 118.700 -0.293 0.000 3.308 335 N HA 0.116 4.856 4.740 0.000 0.000 0.276 335 N C 0.373 175.798 175.510 -0.141 0.000 1.533 335 N CA -0.562 52.366 53.050 -0.203 0.000 0.878 335 N CB 0.131 38.487 38.487 -0.219 0.000 1.566 335 N HN -0.259 nan 8.380 nan 0.000 0.546 336 E N -0.128 120.010 120.200 -0.103 0.000 2.097 336 E HA -0.167 4.183 4.350 0.000 0.000 0.196 336 E C 1.690 178.250 176.600 -0.067 0.000 1.000 336 E CA 1.891 58.251 56.400 -0.066 0.000 0.804 336 E CB -0.630 29.038 29.700 -0.053 0.000 0.740 336 E HN 0.646 nan 8.360 nan 0.000 0.454 337 A N 1.032 123.803 122.820 -0.081 0.000 1.898 337 A HA -0.062 4.258 4.320 0.000 0.000 0.216 337 A C 2.425 179.965 177.584 -0.073 0.000 1.181 337 A CA 1.982 53.979 52.037 -0.066 0.000 0.620 337 A CB -0.590 18.373 19.000 -0.061 0.000 0.819 337 A HN 0.281 nan 8.150 nan 0.000 0.442 338 A N -0.377 122.381 122.820 -0.103 0.000 1.892 338 A HA -0.098 4.222 4.320 0.000 0.000 0.218 338 A C 2.247 179.761 177.584 -0.116 0.000 1.188 338 A CA 2.088 54.070 52.037 -0.092 0.000 0.631 338 A CB -1.048 17.874 19.000 -0.130 0.000 0.822 338 A HN 0.429 nan 8.150 nan 0.000 0.447 339 V N 0.163 120.006 119.914 -0.119 0.000 2.307 339 V HA -0.218 3.902 4.120 0.000 0.000 0.245 339 V C 3.173 179.173 176.094 -0.157 0.000 1.045 339 V CA 2.703 64.908 62.300 -0.158 0.000 1.024 339 V CB -1.233 30.572 31.823 -0.031 0.000 0.651 339 V HN 0.744 nan 8.190 nan 0.000 0.449 340 K N 0.351 120.703 120.400 -0.080 0.000 2.152 340 K HA -0.262 4.058 4.320 0.000 0.000 0.206 340 K C 2.045 178.605 176.600 -0.066 0.000 1.048 340 K CA 2.166 58.425 56.287 -0.048 0.000 0.933 340 K CB -0.572 31.915 32.500 -0.022 0.000 0.721 340 K HN 0.507 nan 8.250 nan 0.000 0.447 341 K N 0.179 120.518 120.400 -0.102 0.000 2.031 341 K HA 0.001 4.321 4.320 0.000 0.000 0.205 341 K C 2.027 178.488 176.600 -0.231 0.000 1.049 341 K CA 1.336 57.538 56.287 -0.141 0.000 0.939 341 K CB -0.325 32.091 32.500 -0.140 0.000 0.717 341 K HN 0.141 nan 8.250 nan 0.000 0.438 342 V N 1.633 121.383 119.914 -0.273 0.000 2.332 342 V HA -0.261 3.859 4.120 0.000 0.000 0.248 342 V C 2.006 177.994 176.094 -0.176 0.000 1.055 342 V CA 2.164 64.278 62.300 -0.310 0.000 1.038 342 V CB -0.522 30.959 31.823 -0.572 0.000 0.651 342 V HN 0.400 nan 8.190 nan 0.000 0.450 343 E N -0.024 120.084 120.200 -0.153 0.000 2.077 343 E HA -0.207 4.143 4.350 0.000 0.000 0.193 343 E C 2.423 179.063 176.600 0.067 0.000 0.989 343 E CA 1.505 57.920 56.400 0.025 0.000 0.800 343 E CB -0.260 29.479 29.700 0.064 0.000 0.746 343 E HN 0.553 nan 8.360 nan 0.000 0.452 344 S N -0.183 115.550 115.700 0.055 0.000 2.383 344 S HA -0.173 4.297 4.470 0.000 0.000 0.227 344 S C 1.820 176.527 174.600 0.179 0.000 1.026 344 S CA 1.003 59.265 58.200 0.103 0.000 0.981 344 S CB -0.207 63.051 63.200 0.098 0.000 0.818 344 S HN 0.376 nan 8.310 nan 0.000 0.472 345 H N 0.075 119.153 119.070 0.013 0.000 2.326 345 H HA 0.015 4.571 4.556 0.000 0.000 0.301 345 H C 2.167 177.510 175.328 0.024 0.000 1.081 345 H CA 1.635 57.694 56.048 0.018 0.000 1.334 345 H CB -0.082 29.686 29.762 0.010 0.000 1.385 345 H HN 0.385 nan 8.280 nan 0.000 0.504 346 I N 0.683 121.353 120.570 0.165 0.000 2.179 346 I HA -0.268 3.902 4.170 0.000 0.000 0.242 346 I C 2.878 179.046 176.117 0.084 0.000 1.088 346 I CA 0.903 62.273 61.300 0.118 0.000 1.357 346 I CB -0.270 37.821 38.000 0.152 0.000 1.051 346 I HN 0.242 nan 8.210 nan 0.000 0.409 347 A N 0.408 123.280 122.820 0.086 0.000 1.883 347 A HA -0.332 3.988 4.320 0.000 0.000 0.217 347 A C 2.005 179.615 177.584 0.043 0.000 1.186 347 A CA 2.516 54.591 52.037 0.063 0.000 0.624 347 A CB -0.872 18.167 19.000 0.064 0.000 0.822 347 A HN 0.471 nan 8.150 nan 0.000 0.444 348 D N -0.646 119.780 120.400 0.043 0.000 2.117 348 D HA -0.015 4.625 4.640 0.000 0.000 0.197 348 D C 2.060 178.359 176.300 -0.002 0.000 0.987 348 D CA 1.627 55.638 54.000 0.018 0.000 0.829 348 D CB -0.193 40.612 40.800 0.009 0.000 0.961 348 D HN 0.352 nan 8.370 nan 0.000 0.460 349 A N 0.414 123.229 122.820 -0.009 0.000 1.877 349 A HA -0.125 4.195 4.320 0.000 0.000 0.216 349 A C 2.211 179.784 177.584 -0.019 0.000 1.186 349 A CA 0.954 52.972 52.037 -0.032 0.000 0.620 349 A CB -0.836 18.141 19.000 -0.038 0.000 0.822 349 A HN 0.332 nan 8.150 nan 0.000 0.443 350 L N -0.541 120.683 121.223 0.003 0.000 2.042 350 L HA -0.216 4.124 4.340 0.000 0.000 0.210 350 L C 3.001 179.874 176.870 0.005 0.000 1.076 350 L CA 2.157 57.001 54.840 0.007 0.000 0.749 350 L CB -1.590 40.482 42.059 0.021 0.000 0.893 350 L HN 0.481 nan 8.230 nan 0.000 0.432 351 A N -0.675 122.150 122.820 0.008 0.000 2.019 351 A HA -0.189 4.131 4.320 0.000 0.000 0.219 351 A C 1.964 179.549 177.584 0.002 0.000 1.164 351 A CA 1.332 53.374 52.037 0.008 0.000 0.644 351 A CB -0.265 18.743 19.000 0.013 0.000 0.805 351 A HN 0.401 nan 8.150 nan 0.000 0.449 352 K N -1.717 118.679 120.400 -0.006 0.000 2.498 352 K HA 0.348 4.668 4.320 0.000 0.000 0.207 352 K C 0.791 177.381 176.600 -0.016 0.000 1.033 352 K CA 0.385 56.666 56.287 -0.010 0.000 1.138 352 K CB 0.330 32.823 32.500 -0.012 0.000 0.860 352 K HN 0.542 nan 8.250 nan 0.000 0.490 353 G N 0.690 109.481 108.800 -0.015 0.000 2.218 353 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 353 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 353 G C 0.304 175.189 174.900 -0.024 0.000 0.994 353 G CA -0.139 44.951 45.100 -0.017 0.000 0.637 353 G HN 0.438 nan 8.290 nan 0.000 0.505 354 A N 0.050 122.850 122.820 -0.033 0.000 2.366 354 A HA 0.768 5.088 4.320 0.000 0.000 0.249 354 A C 0.647 178.223 177.584 -0.014 0.000 1.084 354 A CA 1.129 53.144 52.037 -0.037 0.000 0.794 354 A CB 0.628 19.590 19.000 -0.063 0.000 1.034 354 A HN 1.054 nan 8.150 nan 0.000 0.491 355 S N -0.723 114.975 115.700 -0.004 0.000 2.566 355 S HA 0.548 5.018 4.470 0.000 0.000 0.298 355 S C -0.956 173.651 174.600 0.011 0.000 1.083 355 S CA -0.460 57.744 58.200 0.007 0.000 0.978 355 S CB 1.379 64.586 63.200 0.012 0.000 1.073 355 S HN 0.687 nan 8.310 nan 0.000 0.491 356 L N 3.359 124.589 121.223 0.013 0.000 2.255 356 L HA 0.468 4.808 4.340 0.000 0.000 0.289 356 L C 0.632 177.506 176.870 0.005 0.000 1.046 356 L CA 0.141 54.991 54.840 0.016 0.000 0.816 356 L CB 0.624 42.696 42.059 0.022 0.000 1.197 356 L HN 0.905 nan 8.230 nan 0.000 0.427 357 M N 2.704 122.304 119.600 -0.000 0.000 2.276 357 M HA 0.102 4.582 4.480 0.000 0.000 0.262 357 M C 0.231 176.515 176.300 -0.026 0.000 1.098 357 M CA 1.034 56.323 55.300 -0.017 0.000 1.167 357 M CB 0.401 32.980 32.600 -0.035 0.000 1.337 357 M HN 0.631 nan 8.290 nan 0.000 0.446 358 T N -0.432 114.110 114.554 -0.020 0.000 2.894 358 T HA 0.579 4.929 4.350 0.000 0.000 0.309 358 T C -0.250 174.449 174.700 -0.001 0.000 1.208 358 T CA 0.148 62.232 62.100 -0.026 0.000 1.016 358 T CB 1.317 70.155 68.868 -0.051 0.000 1.192 358 T HN 0.825 nan 8.240 nan 0.000 0.491 359 G N 1.930 110.720 108.800 -0.017 0.000 2.562 359 G HA2 0.275 4.235 3.960 0.000 0.000 0.250 359 G HA3 0.275 4.235 3.960 0.000 0.000 0.250 359 G C 0.848 175.745 174.900 -0.004 0.000 1.269 359 G CA 0.911 46.002 45.100 -0.015 0.000 0.919 359 G HN 2.362 nan 8.290 nan 0.000 0.574 360 G N -3.678 105.137 108.800 0.024 0.000 2.184 360 G HA2 0.515 4.475 3.960 0.000 0.000 0.206 360 G HA3 0.515 4.475 3.960 0.000 0.000 0.206 360 G C 0.541 175.449 174.900 0.013 0.000 0.995 360 G CA 1.566 46.725 45.100 0.099 0.000 0.651 360 G HN 2.482 nan 8.290 nan 0.000 0.511 361 K N 0.295 120.525 120.400 -0.284 0.000 2.395 361 K HA 0.905 5.225 4.320 0.000 0.000 0.247 361 K C 0.307 176.373 176.600 -0.891 0.000 0.973 361 K CA -0.427 55.642 56.287 -0.364 0.000 0.828 361 K CB 0.810 33.193 32.500 -0.195 0.000 1.272 361 K HN 0.532 nan 8.250 nan 0.000 0.439 362 R N 1.608 121.782 120.500 -0.543 0.000 2.679 362 R HA 0.077 4.417 4.340 0.000 0.000 0.268 362 R C 0.356 176.528 176.300 -0.214 0.000 1.044 362 R CA -0.358 55.526 56.100 -0.360 0.000 1.105 362 R CB 0.193 30.512 30.300 0.032 0.000 0.989 362 R HN 0.751 nan 8.270 nan 0.000 0.447 363 H N 1.151 120.128 119.070 -0.156 0.000 2.615 363 H HA 0.050 4.606 4.556 0.000 0.000 0.363 363 H C 0.702 176.008 175.328 -0.036 0.000 1.148 363 H CA 0.467 56.470 56.048 -0.075 0.000 1.401 363 H CB 1.452 31.225 29.762 0.019 0.000 1.461 363 H HN 0.757 nan 8.280 nan 0.000 0.588 364 A N 4.866 127.543 122.820 -0.238 0.000 1.972 364 A HA -0.157 4.163 4.320 0.000 0.000 0.219 364 A C 2.873 180.504 177.584 0.079 0.000 1.169 364 A CA 1.774 53.755 52.037 -0.094 0.000 0.635 364 A CB -1.209 17.675 19.000 -0.194 0.000 0.810 364 A HN 0.685 nan 8.150 nan 0.000 0.446 365 L N -1.441 119.963 121.223 0.302 0.000 2.447 365 L HA 0.333 4.673 4.340 0.000 0.000 0.225 365 L C 1.952 178.951 176.870 0.214 0.000 1.148 365 L CA 1.748 56.691 54.840 0.171 0.000 0.808 365 L CB -2.303 39.688 42.059 -0.113 0.000 0.928 365 L HN 1.796 nan 8.230 nan 0.000 0.448 366 G N -2.483 106.434 108.800 0.195 0.000 2.598 366 G HA2 -0.208 3.752 3.960 0.000 0.000 0.244 366 G HA3 -0.208 3.752 3.960 0.000 0.000 0.244 366 G C 0.352 175.353 174.900 0.169 0.000 1.302 366 G CA 0.735 45.867 45.100 0.053 0.000 0.903 366 G HN 1.782 nan 8.290 nan 0.000 0.575 367 H N -2.126 117.020 119.070 0.126 0.000 1.452 367 H HA -0.268 4.288 4.556 0.000 0.000 0.090 367 H C 2.081 177.413 175.328 0.007 0.000 0.740 367 H CA 2.730 58.805 56.048 0.045 0.000 1.901 367 H CB -1.303 28.477 29.762 0.031 0.000 2.257 367 H HN 1.706 nan 8.280 nan 0.000 0.961 368 G N -0.009 108.810 108.800 0.032 0.000 3.088 368 G HA2 0.261 4.221 3.960 0.000 0.000 0.217 368 G HA3 0.261 4.221 3.960 0.000 0.000 0.217 368 G C -0.464 174.381 174.900 -0.091 0.000 1.159 368 G CA -0.190 44.852 45.100 -0.097 0.000 0.760 368 G HN 0.163 nan 8.290 nan 0.000 0.550 369 F N 0.637 120.670 119.950 0.138 0.000 2.467 369 F HA 0.556 5.083 4.527 0.000 0.000 0.362 369 F C -0.160 175.776 175.800 0.227 0.000 1.090 369 F CA -0.896 57.171 58.000 0.112 0.000 1.202 369 F CB 0.662 39.654 39.000 -0.014 0.000 1.113 369 F HN -0.039 nan 8.300 nan 0.000 0.541 370 F N 1.983 122.085 119.950 0.254 0.000 2.588 370 F HA 0.346 4.873 4.527 0.000 0.000 0.310 370 F C -0.193 175.733 175.800 0.210 0.000 1.082 370 F CA -1.023 57.099 58.000 0.204 0.000 0.929 370 F CB 1.380 40.459 39.000 0.132 0.000 1.254 370 F HN 0.410 nan 8.300 nan 0.000 0.455 371 E N 6.094 126.155 120.200 -0.232 0.000 2.366 371 E HA 0.160 4.510 4.350 0.000 0.000 0.266 371 E C -2.251 174.456 176.600 0.179 0.000 1.015 371 E CA -1.776 54.602 56.400 -0.037 0.000 0.906 371 E CB 0.597 30.159 29.700 -0.230 0.000 0.979 371 E HN 0.141 nan 8.360 nan 0.000 0.443 372 P HA -0.030 nan 4.420 nan 0.000 0.263 372 P C -0.994 176.433 177.300 0.212 0.000 1.195 372 P CA 0.122 63.371 63.100 0.248 0.000 0.762 372 P CB 0.804 32.520 31.700 0.028 0.000 0.799 373 T N 2.496 117.241 114.554 0.319 0.000 2.841 373 T HA 0.448 4.798 4.350 0.000 0.000 0.283 373 T C -0.247 174.567 174.700 0.191 0.000 1.000 373 T CA -0.504 61.730 62.100 0.223 0.000 0.977 373 T CB 1.373 70.402 68.868 0.268 0.000 0.979 373 T HN 0.068 nan 8.240 nan 0.000 0.446 374 V N 3.919 123.889 119.914 0.093 0.000 2.540 374 V HA 0.532 4.652 4.120 0.000 0.000 0.302 374 V C -0.596 175.507 176.094 0.016 0.000 1.035 374 V CA -0.841 61.477 62.300 0.031 0.000 0.873 374 V CB 1.691 33.486 31.823 -0.047 0.000 0.992 374 V HN 0.719 nan 8.190 nan 0.000 0.428 375 L N 4.412 125.641 121.223 0.010 0.000 2.341 375 L HA 0.680 5.020 4.340 0.000 0.000 0.278 375 L C 0.419 177.288 176.870 -0.000 0.000 1.005 375 L CA -0.336 54.506 54.840 0.004 0.000 0.818 375 L CB 2.390 44.449 42.059 -0.001 0.000 1.259 375 L HN 0.822 nan 8.230 nan 0.000 0.418 376 T N -1.759 112.811 114.554 0.027 0.000 2.943 376 T HA 0.585 4.935 4.350 0.000 0.000 0.284 376 T C 0.838 175.579 174.700 0.068 0.000 1.015 376 T CA -0.032 62.136 62.100 0.113 0.000 1.042 376 T CB 1.706 70.666 68.868 0.154 0.000 1.055 376 T HN 0.935 nan 8.240 nan 0.000 0.500 377 G N 0.392 109.252 108.800 0.100 0.000 2.246 377 G HA2 -0.168 3.792 3.960 0.000 0.000 0.273 377 G HA3 -0.168 3.792 3.960 0.000 0.000 0.273 377 G C -0.056 174.774 174.900 -0.117 0.000 1.055 377 G CA -0.062 45.016 45.100 -0.037 0.000 0.851 377 G HN 1.042 nan 8.290 nan 0.000 0.500 378 V N -0.175 119.608 119.914 -0.219 0.000 2.583 378 V HA 0.735 4.855 4.120 0.000 0.000 0.287 378 V C 0.753 176.540 176.094 -0.511 0.000 1.051 378 V CA 0.644 62.653 62.300 -0.485 0.000 1.010 378 V CB 1.044 32.364 31.823 -0.840 0.000 0.988 378 V HN 0.920 nan 8.190 nan 0.000 0.478 379 K N 5.357 125.574 120.400 -0.306 0.000 2.295 379 K HA 0.703 5.023 4.320 0.000 0.000 0.239 379 K C -2.518 174.188 176.600 0.176 0.000 0.991 379 K CA -1.775 54.503 56.287 -0.015 0.000 0.845 379 K CB 0.815 33.321 32.500 0.010 0.000 1.197 379 K HN 0.496 nan 8.250 nan 0.000 0.441 380 P HA -0.018 nan 4.420 nan 0.000 0.242 380 P C -0.120 177.294 177.300 0.189 0.000 1.197 380 P CA 0.783 64.094 63.100 0.351 0.000 0.765 380 P CB 0.296 32.158 31.700 0.269 0.000 0.936 381 D N -2.074 118.397 120.400 0.119 0.000 2.368 381 D HA 0.051 4.691 4.640 0.000 0.000 0.218 381 D C 0.334 176.657 176.300 0.040 0.000 1.112 381 D CA 0.062 54.103 54.000 0.069 0.000 0.834 381 D CB -0.259 40.570 40.800 0.048 0.000 0.953 381 D HN 0.132 nan 8.370 nan 0.000 0.505 382 M N 0.638 120.260 119.600 0.036 0.000 2.342 382 M HA 0.171 4.651 4.480 0.000 0.000 0.332 382 M C 0.775 177.050 176.300 -0.041 0.000 1.166 382 M CA -0.737 54.551 55.300 -0.019 0.000 1.086 382 M CB 1.481 34.043 32.600 -0.064 0.000 1.541 382 M HN -0.354 nan 8.290 nan 0.000 0.462 383 D N 0.835 121.162 120.400 -0.121 0.000 2.158 383 D HA -0.156 4.484 4.640 0.000 0.000 0.197 383 D C 1.776 177.873 176.300 -0.338 0.000 0.995 383 D CA 1.211 55.090 54.000 -0.201 0.000 0.846 383 D CB -0.108 40.547 40.800 -0.241 0.000 0.941 383 D HN 0.425 nan 8.370 nan 0.000 0.456 384 V N 0.636 120.273 119.914 -0.463 0.000 2.759 384 V HA -0.147 3.973 4.120 0.000 0.000 0.256 384 V C 2.051 178.188 176.094 0.072 0.000 1.080 384 V CA 1.721 63.855 62.300 -0.275 0.000 1.101 384 V CB -0.370 31.389 31.823 -0.106 0.000 0.698 384 V HN 0.190 nan 8.190 nan 0.000 0.477 385 A N -0.493 122.420 122.820 0.154 0.000 2.066 385 A HA 0.006 4.326 4.320 0.000 0.000 0.218 385 A C 2.227 179.892 177.584 0.135 0.000 1.157 385 A CA 1.923 54.110 52.037 0.250 0.000 0.670 385 A CB -0.394 18.805 19.000 0.333 0.000 0.804 385 A HN 0.630 nan 8.150 nan 0.000 0.453 386 K N 0.037 120.500 120.400 0.106 0.000 2.435 386 K HA 0.271 4.591 4.320 0.000 0.000 0.199 386 K C 0.381 177.088 176.600 0.179 0.000 1.153 386 K CA 0.762 57.127 56.287 0.130 0.000 0.974 386 K CB -0.043 32.518 32.500 0.102 0.000 0.997 386 K HN 0.848 nan 8.250 nan 0.000 0.547 387 E N -0.050 120.236 120.200 0.142 0.000 2.317 387 E HA 0.432 4.782 4.350 0.000 0.000 0.270 387 E C -1.269 175.401 176.600 0.118 0.000 0.885 387 E CA -0.814 55.680 56.400 0.156 0.000 0.760 387 E CB 1.737 31.563 29.700 0.209 0.000 1.227 387 E HN 0.204 nan 8.360 nan 0.000 0.434 388 E N 1.066 121.214 120.200 -0.087 0.000 2.384 388 E HA 0.038 4.388 4.350 0.000 0.000 0.266 388 E C 0.090 176.520 176.600 -0.283 0.000 1.012 388 E CA 0.320 56.508 56.400 -0.354 0.000 0.901 388 E CB 1.039 30.178 29.700 -0.934 0.000 0.967 388 E HN 0.557 nan 8.360 nan 0.000 0.435 389 T N 2.880 117.282 114.554 -0.253 0.000 2.894 389 T HA -0.057 4.293 4.350 0.000 0.000 0.258 389 T C 0.396 175.035 174.700 -0.101 0.000 1.043 389 T CA 0.150 62.115 62.100 -0.226 0.000 1.141 389 T CB -0.191 68.640 68.868 -0.062 0.000 0.873 389 T HN 0.631 nan 8.240 nan 0.000 0.449 390 F N 1.082 121.024 119.950 -0.015 0.000 3.074 390 F HA -0.121 4.406 4.527 0.000 0.000 0.287 390 F C 0.783 176.598 175.800 0.024 0.000 0.932 390 F CA 0.069 58.090 58.000 0.034 0.000 0.995 390 F CB -1.735 37.322 39.000 0.094 0.000 0.966 390 F HN 0.431 nan 8.300 nan 0.000 0.721 391 G N -0.694 108.165 108.800 0.099 0.000 2.649 391 G HA2 0.649 4.609 3.960 0.000 0.000 0.290 391 G HA3 0.649 4.609 3.960 0.000 0.000 0.290 391 G C -3.126 171.798 174.900 0.041 0.000 1.426 391 G CA -1.159 43.974 45.100 0.054 0.000 0.794 391 G HN -0.220 nan 8.290 nan 0.000 0.483 392 P HA 0.279 nan 4.420 nan 0.000 0.230 392 P C -0.843 176.549 177.300 0.153 0.000 1.791 392 P CA -0.112 63.076 63.100 0.147 0.000 1.020 392 P CB 0.258 32.192 31.700 0.389 0.000 1.977 393 L N 1.564 122.792 121.223 0.009 0.000 2.404 393 L HA 0.714 5.054 4.340 0.000 0.000 0.272 393 L C -0.822 176.086 176.870 0.064 0.000 0.980 393 L CA -0.954 53.935 54.840 0.081 0.000 0.836 393 L CB 1.812 43.928 42.059 0.095 0.000 1.238 393 L HN 0.108 nan 8.230 nan 0.000 0.408 394 A N 6.886 129.764 122.820 0.098 0.000 2.341 394 A HA 0.812 5.132 4.320 0.000 0.000 0.326 394 A C -2.622 175.038 177.584 0.128 0.000 1.402 394 A CA -1.285 50.836 52.037 0.140 0.000 0.957 394 A CB -0.214 18.711 19.000 -0.125 0.000 1.151 394 A HN 0.514 nan 8.150 nan 0.000 0.533 395 P HA 0.408 nan 4.420 nan 0.000 0.301 395 P C -0.802 176.617 177.300 0.199 0.000 1.348 395 P CA -0.175 63.003 63.100 0.129 0.000 0.826 395 P CB 1.091 32.855 31.700 0.107 0.000 0.945 396 L N 4.686 125.949 121.223 0.067 0.000 2.287 396 L HA 0.427 4.767 4.340 0.000 0.000 0.280 396 L C 0.113 177.129 176.870 0.243 0.000 1.055 396 L CA -0.562 54.402 54.840 0.206 0.000 0.863 396 L CB -0.386 41.708 42.059 0.059 0.000 1.245 396 L HN 0.241 nan 8.230 nan 0.000 0.432 397 F N 1.711 121.708 119.950 0.078 0.000 2.382 397 F HA 0.454 4.981 4.527 0.000 0.000 0.331 397 F C 0.890 176.846 175.800 0.260 0.000 1.121 397 F CA -0.547 57.485 58.000 0.054 0.000 1.183 397 F CB 0.864 39.704 39.000 -0.266 0.000 1.207 397 F HN 0.409 nan 8.300 nan 0.000 0.555 398 R N 1.999 122.709 120.500 0.349 0.000 2.540 398 R HA 0.616 4.956 4.340 0.000 0.000 0.287 398 R C -1.362 175.145 176.300 0.345 0.000 0.980 398 R CA -0.642 55.574 56.100 0.193 0.000 0.966 398 R CB 1.239 31.454 30.300 -0.141 0.000 1.106 398 R HN 0.650 nan 8.270 nan 0.000 0.480 399 F N -0.211 119.771 119.950 0.053 0.000 2.613 399 F HA 0.672 5.199 4.527 0.000 0.000 0.310 399 F C -0.497 175.161 175.800 -0.237 0.000 1.085 399 F CA -0.817 57.159 58.000 -0.040 0.000 0.945 399 F CB 1.670 40.656 39.000 -0.024 0.000 1.298 399 F HN 0.478 nan 8.300 nan 0.000 0.455 400 A N 0.968 123.710 122.820 -0.130 0.000 2.108 400 A HA 0.551 4.871 4.320 0.000 0.000 0.206 400 A C 0.452 177.967 177.584 -0.114 0.000 1.212 400 A CA 0.804 52.673 52.037 -0.281 0.000 0.843 400 A CB -0.511 18.438 19.000 -0.085 0.000 0.902 400 A HN 1.185 nan 8.150 nan 0.000 0.477 401 S N -1.688 114.133 115.700 0.201 0.000 2.579 401 S HA 0.428 4.898 4.470 0.000 0.000 0.272 401 S C 0.337 175.197 174.600 0.433 0.000 1.141 401 S CA 0.199 58.583 58.200 0.307 0.000 0.843 401 S CB 1.467 64.774 63.200 0.179 0.000 1.122 401 S HN 0.259 nan 8.310 nan 0.000 0.468 402 E N 0.667 121.125 120.200 0.429 0.000 2.070 402 E HA -0.240 4.110 4.350 0.000 0.000 0.197 402 E C 1.606 178.293 176.600 0.145 0.000 1.004 402 E CA 1.581 58.201 56.400 0.366 0.000 0.805 402 E CB -0.143 29.718 29.700 0.268 0.000 0.744 402 E HN 0.715 nan 8.360 nan 0.000 0.451 403 E N 0.642 120.908 120.200 0.111 0.000 2.058 403 E HA -0.259 4.091 4.350 0.000 0.000 0.194 403 E C 1.982 178.585 176.600 0.006 0.000 0.997 403 E CA 1.345 57.773 56.400 0.046 0.000 0.801 403 E CB -0.122 29.607 29.700 0.048 0.000 0.746 403 E HN 0.397 nan 8.360 nan 0.000 0.450 404 E N 0.311 120.528 120.200 0.029 0.000 2.051 404 E HA -0.207 4.143 4.350 0.000 0.000 0.192 404 E C 2.493 179.009 176.600 -0.140 0.000 0.991 404 E CA 1.079 57.472 56.400 -0.010 0.000 0.799 404 E CB -0.186 29.553 29.700 0.065 0.000 0.748 404 E HN 0.182 nan 8.360 nan 0.000 0.449 405 L N 0.629 121.709 121.223 -0.238 0.000 1.971 405 L HA -0.222 4.118 4.340 0.000 0.000 0.215 405 L C 2.398 178.973 176.870 -0.492 0.000 1.072 405 L CA 1.667 56.134 54.840 -0.623 0.000 0.758 405 L CB -0.542 40.939 42.059 -0.964 0.000 0.889 405 L HN 0.034 nan 8.230 nan 0.000 0.433 406 V N 0.090 119.840 119.914 -0.274 0.000 2.278 406 V HA -0.380 3.740 4.120 0.000 0.000 0.251 406 V C 2.785 178.770 176.094 -0.183 0.000 1.062 406 V CA 2.414 64.602 62.300 -0.187 0.000 1.038 406 V CB -0.876 30.894 31.823 -0.088 0.000 0.646 406 V HN 0.554 nan 8.190 nan 0.000 0.447 407 R N -0.683 119.721 120.500 -0.159 0.000 2.080 407 R HA -0.179 4.161 4.340 0.000 0.000 0.236 407 R C 2.282 178.478 176.300 -0.174 0.000 1.137 407 R CA 1.718 57.742 56.100 -0.128 0.000 0.943 407 R CB -0.328 29.921 30.300 -0.085 0.000 0.846 407 R HN 0.320 nan 8.270 nan 0.000 0.431 408 L N 0.609 121.669 121.223 -0.273 0.000 1.989 408 L HA -0.132 4.208 4.340 0.000 0.000 0.211 408 L C 2.520 179.127 176.870 -0.439 0.000 1.071 408 L CA 2.203 56.820 54.840 -0.372 0.000 0.749 408 L CB -1.345 40.343 42.059 -0.619 0.000 0.890 408 L HN 0.340 nan 8.230 nan 0.000 0.431 409 A N -0.846 121.634 122.820 -0.568 0.000 2.019 409 A HA -0.157 4.163 4.320 0.000 0.000 0.219 409 A C 1.864 179.435 177.584 -0.021 0.000 1.164 409 A CA 1.606 53.434 52.037 -0.348 0.000 0.644 409 A CB -0.441 18.339 19.000 -0.366 0.000 0.805 409 A HN 0.518 nan 8.150 nan 0.000 0.449 410 N N -0.139 118.518 118.700 -0.073 0.000 2.280 410 N HA 0.021 4.761 4.740 0.000 0.000 0.192 410 N C -0.201 175.259 175.510 -0.083 0.000 1.109 410 N CA 0.289 53.302 53.050 -0.062 0.000 0.855 410 N CB 0.025 38.463 38.487 -0.082 0.000 0.974 410 N HN 0.357 nan 8.380 nan 0.000 0.482 411 D N 0.821 121.179 120.400 -0.069 0.000 2.885 411 D HA 0.051 4.691 4.640 0.000 0.000 0.234 411 D C -0.652 175.632 176.300 -0.027 0.000 1.129 411 D CA 0.270 54.239 54.000 -0.051 0.000 0.991 411 D CB -0.240 40.538 40.800 -0.038 0.000 1.137 411 D HN -0.061 nan 8.370 nan 0.000 0.459 412 T N -1.632 112.891 114.554 -0.052 0.000 2.932 412 T HA 0.457 4.807 4.350 0.000 0.000 0.318 412 T C 0.930 175.528 174.700 -0.171 0.000 1.265 412 T CA 0.087 62.157 62.100 -0.050 0.000 1.036 412 T CB 1.212 70.132 68.868 0.086 0.000 1.209 412 T HN -0.015 nan 8.240 nan 0.000 0.484 413 E N 2.535 122.543 120.200 -0.321 0.000 2.265 413 E HA 0.181 4.531 4.350 0.000 0.000 0.196 413 E C 0.198 176.486 176.600 -0.520 0.000 0.996 413 E CA 1.074 57.186 56.400 -0.480 0.000 0.832 413 E CB -0.456 28.850 29.700 -0.657 0.000 0.756 413 E HN 0.554 nan 8.360 nan 0.000 0.491 414 F N -0.982 118.907 119.950 -0.101 0.000 2.380 414 F HA 0.624 5.151 4.527 0.000 0.000 0.319 414 F C 1.288 176.926 175.800 -0.269 0.000 1.113 414 F CA -0.479 57.451 58.000 -0.118 0.000 1.056 414 F CB 2.091 41.066 39.000 -0.040 0.000 1.289 414 F HN 0.008 nan 8.300 nan 0.000 0.515 415 G N 1.207 109.971 108.800 -0.060 0.000 4.193 415 G HA2 0.375 4.335 3.960 0.000 0.000 0.265 415 G HA3 0.375 4.335 3.960 0.000 0.000 0.265 415 G C -0.892 173.958 174.900 -0.084 0.000 3.257 415 G CA -0.179 44.668 45.100 -0.423 0.000 0.596 415 G HN 0.514 nan 8.290 nan 0.000 0.281 416 L N 1.378 122.683 121.223 0.137 0.000 2.814 416 L HA 0.916 5.256 4.340 0.000 0.000 0.182 416 L C 1.377 178.258 176.870 0.017 0.000 1.386 416 L CA 1.099 55.944 54.840 0.010 0.000 1.190 416 L CB -0.253 41.781 42.059 -0.043 0.000 1.399 416 L HN 0.460 nan 8.230 nan 0.000 0.685 417 A N -0.600 122.184 122.820 -0.059 0.000 2.295 417 A HA 0.830 5.150 4.320 0.000 0.000 0.318 417 A C -0.841 176.411 177.584 -0.555 0.000 1.134 417 A CA 0.154 52.011 52.037 -0.299 0.000 0.827 417 A CB 0.654 19.475 19.000 -0.299 0.000 1.136 417 A HN 0.643 nan 8.150 nan 0.000 0.493 418 A N 0.425 122.734 122.820 -0.852 0.000 2.572 418 A HA 0.762 5.082 4.320 0.000 0.000 0.295 418 A C -1.729 175.277 177.584 -0.964 0.000 1.072 418 A CA -0.452 51.013 52.037 -0.952 0.000 0.691 418 A CB 0.973 19.335 19.000 -1.063 0.000 1.291 418 A HN 0.886 nan 8.150 nan 0.000 0.404 419 Y N 0.025 120.131 120.300 -0.323 0.000 2.442 419 Y HA 0.691 5.241 4.550 0.000 0.000 0.344 419 Y C -0.601 175.054 175.900 -0.409 0.000 0.976 419 Y CA -0.862 57.026 58.100 -0.355 0.000 1.040 419 Y CB 2.298 40.521 38.460 -0.396 0.000 1.228 419 Y HN 0.621 nan 8.280 nan 0.000 0.451 420 L N 3.686 124.797 121.223 -0.186 0.000 2.439 420 L HA 0.563 4.903 4.340 0.000 0.000 0.270 420 L C -2.148 174.665 176.870 -0.096 0.000 0.972 420 L CA -0.863 53.919 54.840 -0.097 0.000 0.836 420 L CB 0.935 42.948 42.059 -0.076 0.000 1.255 420 L HN 0.599 nan 8.230 nan 0.000 0.404 421 Y N 3.647 123.930 120.300 -0.028 0.000 2.334 421 Y HA 0.742 5.292 4.550 0.000 0.000 0.336 421 Y C 0.285 176.308 175.900 0.205 0.000 0.960 421 Y CA -0.102 58.036 58.100 0.064 0.000 1.164 421 Y CB 2.057 40.557 38.460 0.066 0.000 1.155 421 Y HN 0.672 nan 8.280 nan 0.000 0.478 422 S N 2.303 118.131 115.700 0.213 0.000 2.558 422 S HA 0.384 4.854 4.470 0.000 0.000 0.277 422 S C -0.196 174.445 174.600 0.069 0.000 1.143 422 S CA -0.756 57.541 58.200 0.162 0.000 0.865 422 S CB 1.339 64.569 63.200 0.050 0.000 1.102 422 S HN 0.702 nan 8.310 nan 0.000 0.454 423 R N 1.493 122.029 120.500 0.060 0.000 2.265 423 R HA 0.325 4.665 4.340 0.000 0.000 0.194 423 R C -0.290 176.020 176.300 0.017 0.000 0.931 423 R CA 0.337 56.463 56.100 0.043 0.000 1.032 423 R CB 0.007 30.342 30.300 0.058 0.000 0.980 423 R HN 0.664 nan 8.270 nan 0.000 0.497 424 D N 0.079 120.472 120.400 -0.012 0.000 2.325 424 D HA -0.005 4.635 4.640 0.000 0.000 0.251 424 D C 1.376 177.672 176.300 -0.006 0.000 1.196 424 D CA -0.034 53.953 54.000 -0.022 0.000 0.866 424 D CB 0.550 41.318 40.800 -0.054 0.000 1.101 424 D HN -0.040 nan 8.370 nan 0.000 0.476 425 I N 3.858 124.442 120.570 0.023 0.000 2.335 425 I HA -0.154 4.016 4.170 0.000 0.000 0.251 425 I C 1.554 177.730 176.117 0.098 0.000 1.129 425 I CA 1.480 62.826 61.300 0.076 0.000 1.402 425 I CB -0.480 37.548 38.000 0.047 0.000 1.069 425 I HN 0.620 nan 8.210 nan 0.000 0.424 426 G N 0.339 109.154 108.800 0.025 0.000 2.395 426 G HA2 -0.239 3.721 3.960 0.000 0.000 0.214 426 G HA3 -0.239 3.721 3.960 0.000 0.000 0.214 426 G C 1.829 176.745 174.900 0.028 0.000 1.177 426 G CA 0.534 45.643 45.100 0.016 0.000 0.794 426 G HN 0.344 nan 8.290 nan 0.000 0.532 427 R N 0.016 120.491 120.500 -0.040 0.000 2.081 427 R HA -0.020 4.320 4.340 0.000 0.000 0.235 427 R C 2.544 178.791 176.300 -0.089 0.000 1.131 427 R CA 1.316 57.341 56.100 -0.125 0.000 0.960 427 R CB -0.427 29.696 30.300 -0.295 0.000 0.856 427 R HN 0.211 nan 8.270 nan 0.000 0.436 428 V N 0.015 119.909 119.914 -0.034 0.000 2.233 428 V HA -0.283 3.837 4.120 0.000 0.000 0.247 428 V C 1.876 177.977 176.094 0.012 0.000 1.050 428 V CA 2.179 64.471 62.300 -0.014 0.000 1.010 428 V CB -0.595 31.240 31.823 0.021 0.000 0.637 428 V HN 0.487 nan 8.190 nan 0.000 0.444 429 W N 0.087 121.349 121.300 -0.064 0.000 2.363 429 W HA -0.092 4.568 4.660 0.000 0.000 0.296 429 W C 2.787 179.279 176.519 -0.045 0.000 1.212 429 W CA 1.603 58.918 57.345 -0.049 0.000 1.260 429 W CB -0.313 29.122 29.460 -0.042 0.000 1.131 429 W HN 0.066 nan 8.180 nan 0.000 0.530 430 R N -0.472 120.132 120.500 0.173 0.000 2.070 430 R HA -0.161 4.179 4.340 0.000 0.000 0.233 430 R C 1.897 178.220 176.300 0.038 0.000 1.137 430 R CA 2.021 58.174 56.100 0.089 0.000 0.945 430 R CB -1.043 29.283 30.300 0.044 0.000 0.845 430 R HN 0.098 nan 8.270 nan 0.000 0.430 431 V N 0.676 120.598 119.914 0.013 0.000 2.307 431 V HA -0.182 3.938 4.120 0.000 0.000 0.245 431 V C 2.395 178.468 176.094 -0.034 0.000 1.045 431 V CA 1.868 64.172 62.300 0.007 0.000 1.024 431 V CB -0.697 31.160 31.823 0.057 0.000 0.651 431 V HN 0.403 nan 8.190 nan 0.000 0.449 432 A N -0.582 122.190 122.820 -0.080 0.000 2.019 432 A HA -0.220 4.100 4.320 0.000 0.000 0.219 432 A C 2.174 179.685 177.584 -0.122 0.000 1.164 432 A CA 1.761 53.711 52.037 -0.145 0.000 0.644 432 A CB -0.400 18.442 19.000 -0.263 0.000 0.805 432 A HN 0.634 nan 8.150 nan 0.000 0.449 433 E N -0.620 119.536 120.200 -0.072 0.000 2.158 433 E HA 0.037 4.387 4.350 0.000 0.000 0.191 433 E C 2.161 178.750 176.600 -0.018 0.000 0.982 433 E CA 0.628 57.009 56.400 -0.031 0.000 0.823 433 E CB -0.138 29.588 29.700 0.044 0.000 0.766 433 E HN 0.614 nan 8.360 nan 0.000 0.468 434 A N 0.950 123.762 122.820 -0.013 0.000 2.066 434 A HA 0.004 4.324 4.320 0.000 0.000 0.218 434 A C 1.165 178.739 177.584 -0.017 0.000 1.157 434 A CA 0.250 52.278 52.037 -0.015 0.000 0.670 434 A CB -0.196 18.797 19.000 -0.012 0.000 0.804 434 A HN 0.089 nan 8.150 nan 0.000 0.453 435 L N 1.209 122.429 121.223 -0.005 0.000 2.410 435 L HA 0.092 4.432 4.340 0.000 0.000 0.273 435 L C -0.015 176.904 176.870 0.081 0.000 1.144 435 L CA -0.114 54.768 54.840 0.070 0.000 0.863 435 L CB 0.724 42.817 42.059 0.057 0.000 1.140 435 L HN 0.337 nan 8.230 nan 0.000 0.463 436 E N 4.607 124.821 120.200 0.023 0.000 2.028 436 E HA 0.223 4.573 4.350 0.000 0.000 0.275 436 E C -1.501 174.816 176.600 -0.471 0.000 1.171 436 E CA -0.050 56.235 56.400 -0.192 0.000 1.186 436 E CB 0.189 29.745 29.700 -0.241 0.000 1.256 436 E HN 0.342 nan 8.360 nan 0.000 0.474 437 Y N -1.480 118.745 120.300 -0.126 0.000 2.534 437 Y HA 0.299 4.849 4.550 0.000 0.000 0.345 437 Y C 1.264 177.067 175.900 -0.162 0.000 1.031 437 Y CA -1.048 56.965 58.100 -0.145 0.000 1.022 437 Y CB 1.752 40.107 38.460 -0.174 0.000 1.292 437 Y HN 0.261 nan 8.280 nan 0.000 0.459 438 G N 1.316 110.095 108.800 -0.035 0.000 2.448 438 G HA2 0.024 3.984 3.960 0.000 0.000 0.218 438 G HA3 0.024 3.984 3.960 0.000 0.000 0.218 438 G C 0.127 174.950 174.900 -0.127 0.000 1.135 438 G CA 0.509 45.544 45.100 -0.110 0.000 0.784 438 G HN 0.430 nan 8.290 nan 0.000 0.543 439 M N 0.488 120.010 119.600 -0.130 0.000 2.213 439 M HA 0.434 4.914 4.480 0.000 0.000 0.286 439 M C -1.739 174.412 176.300 -0.249 0.000 1.008 439 M CA -0.411 54.780 55.300 -0.181 0.000 0.937 439 M CB 3.507 35.984 32.600 -0.204 0.000 1.600 439 M HN -0.261 nan 8.290 nan 0.000 0.450 440 V N 2.074 121.846 119.914 -0.237 0.000 2.409 440 V HA 0.603 4.723 4.120 0.000 0.000 0.290 440 V C 0.286 176.237 176.094 -0.239 0.000 1.017 440 V CA -0.760 61.366 62.300 -0.291 0.000 0.841 440 V CB 1.796 33.470 31.823 -0.247 0.000 1.003 440 V HN 0.995 nan 8.190 nan 0.000 0.426 441 G N 5.176 113.833 108.800 -0.239 0.000 2.333 441 G HA2 0.617 4.577 3.960 0.000 0.000 0.290 441 G HA3 0.617 4.577 3.960 0.000 0.000 0.290 441 G C -0.551 174.258 174.900 -0.152 0.000 1.150 441 G CA -0.301 44.749 45.100 -0.084 0.000 0.895 441 G HN 0.650 nan 8.290 nan 0.000 0.444 442 I N 2.597 123.054 120.570 -0.188 0.000 2.312 442 I HA 0.171 4.341 4.170 0.000 0.000 0.290 442 I C 0.193 176.102 176.117 -0.346 0.000 1.008 442 I CA -0.690 60.458 61.300 -0.254 0.000 1.226 442 I CB 1.285 39.161 38.000 -0.208 0.000 1.371 442 I HN 0.493 nan 8.210 nan 0.000 0.468 443 N N 2.097 120.392 118.700 -0.675 0.000 2.741 443 N HA -0.185 4.555 4.740 0.000 0.000 0.251 443 N C -0.087 174.955 175.510 -0.780 0.000 1.112 443 N CA 1.370 53.798 53.050 -1.038 0.000 0.750 443 N CB -0.916 37.336 38.487 -0.391 0.000 1.119 443 N HN 0.749 nan 8.380 nan 0.000 0.561 444 T N -2.614 111.633 114.554 -0.511 0.000 2.900 444 T HA 0.615 4.965 4.350 0.000 0.000 0.303 444 T C 0.902 175.738 174.700 0.227 0.000 1.142 444 T CA 0.134 62.242 62.100 0.014 0.000 1.007 444 T CB 1.641 70.525 68.868 0.027 0.000 1.156 444 T HN 0.063 nan 8.240 nan 0.000 0.490 445 G N 1.956 110.936 108.800 0.300 0.000 3.159 445 G HA2 0.357 4.317 3.960 0.000 0.000 0.232 445 G HA3 0.357 4.317 3.960 0.000 0.000 0.232 445 G C -0.017 174.918 174.900 0.058 0.000 1.116 445 G CA -0.068 45.111 45.100 0.132 0.000 0.767 445 G HN 0.572 nan 8.290 nan 0.000 0.547 446 L N 1.568 122.877 121.223 0.143 0.000 2.343 446 L HA 0.479 4.819 4.340 0.000 0.000 0.278 446 L C 0.635 177.578 176.870 0.122 0.000 0.996 446 L CA -0.633 54.280 54.840 0.120 0.000 0.831 446 L CB 1.861 43.960 42.059 0.066 0.000 1.232 446 L HN 0.251 nan 8.230 nan 0.000 0.413 447 I N -2.149 118.508 120.570 0.145 0.000 4.403 447 I HA 0.265 4.435 4.170 0.000 0.000 0.331 447 I C 0.480 176.638 176.117 0.068 0.000 1.327 447 I CA -0.044 61.318 61.300 0.103 0.000 1.175 447 I CB 1.027 39.097 38.000 0.116 0.000 1.165 447 I HN 0.316 nan 8.210 nan 0.000 0.413 448 S N 2.952 118.684 115.700 0.054 0.000 2.565 448 S HA 0.533 5.003 4.470 0.000 0.000 0.274 448 S C -0.364 174.230 174.600 -0.011 0.000 1.309 448 S CA -0.330 57.903 58.200 0.056 0.000 1.043 448 S CB 0.723 63.914 63.200 -0.015 0.000 0.939 448 S HN 0.787 nan 8.310 nan 0.000 0.504 449 N N -0.204 118.529 118.700 0.054 0.000 3.356 449 N HA 0.125 4.865 4.740 0.000 0.000 0.246 449 N C -0.041 175.325 175.510 -0.241 0.000 1.480 449 N CA -0.796 52.220 53.050 -0.057 0.000 0.877 449 N CB 0.373 38.778 38.487 -0.136 0.000 1.431 449 N HN 0.408 nan 8.380 nan 0.000 0.500 450 E N -0.122 119.700 120.200 -0.629 0.000 2.385 450 E HA -0.035 4.315 4.350 0.000 0.000 0.194 450 E C 1.206 177.093 176.600 -1.189 0.000 1.013 450 E CA 1.354 57.083 56.400 -1.118 0.000 0.866 450 E CB -0.042 28.851 29.700 -1.345 0.000 0.832 450 E HN 0.557 nan 8.360 nan 0.000 0.500 451 V N -1.171 118.178 119.914 -0.942 0.000 3.174 451 V HA 0.435 4.555 4.120 0.000 0.000 0.254 451 V C 1.128 176.968 176.094 -0.424 0.000 1.120 451 V CA 0.297 62.009 62.300 -0.980 0.000 1.114 451 V CB -0.143 31.289 31.823 -0.652 0.000 0.756 451 V HN 0.267 nan 8.190 nan 0.000 0.467 452 A N 2.377 125.046 122.820 -0.251 0.000 2.310 452 A HA 0.749 5.069 4.320 0.000 0.000 0.299 452 A C -2.534 175.070 177.584 0.034 0.000 1.147 452 A CA -1.867 50.129 52.037 -0.068 0.000 0.818 452 A CB 0.202 19.185 19.000 -0.028 0.000 1.096 452 A HN 0.390 nan 8.150 nan 0.000 0.495 453 P HA 0.139 nan 4.420 nan 0.000 0.273 453 P C -0.837 176.539 177.300 0.126 0.000 1.319 453 P CA 0.247 63.428 63.100 0.134 0.000 0.885 453 P CB -0.121 31.636 31.700 0.095 0.000 1.015 454 F N 4.167 124.151 119.950 0.056 0.000 2.412 454 F HA 0.547 5.074 4.527 0.000 0.000 0.348 454 F C 0.710 176.520 175.800 0.017 0.000 1.102 454 F CA 1.200 59.222 58.000 0.037 0.000 1.196 454 F CB 0.742 39.783 39.000 0.069 0.000 1.144 454 F HN 0.602 nan 8.300 nan 0.000 0.541 455 G N 2.847 111.236 108.800 -0.686 0.000 2.350 455 G HA2 0.434 4.394 3.960 0.000 0.000 0.304 455 G HA3 0.434 4.394 3.960 0.000 0.000 0.304 455 G C -1.388 173.284 174.900 -0.381 0.000 1.421 455 G CA -0.391 44.435 45.100 -0.458 0.000 0.934 455 G HN 1.068 nan 8.290 nan 0.000 0.632 456 G N -1.703 106.953 108.800 -0.240 0.000 2.788 456 G HA2 0.997 4.957 3.960 0.000 0.000 0.293 456 G HA3 0.997 4.957 3.960 0.000 0.000 0.293 456 G C -0.024 174.805 174.900 -0.117 0.000 1.305 456 G CA 0.213 45.214 45.100 -0.165 0.000 1.005 456 G HN 1.944 nan 8.290 nan 0.000 0.496 457 V N -2.803 117.041 119.914 -0.117 0.000 3.234 457 V HA 0.848 4.968 4.120 0.000 0.000 0.317 457 V C 0.683 176.713 176.094 -0.107 0.000 1.147 457 V CA -0.389 61.841 62.300 -0.116 0.000 1.037 457 V CB 0.973 32.711 31.823 -0.141 0.000 1.148 457 V HN 1.104 nan 8.190 nan 0.000 0.455 458 K N -1.102 119.234 120.400 -0.107 0.000 1.844 458 K HA -0.227 4.093 4.320 0.000 0.000 0.160 458 K C 1.042 177.598 176.600 -0.072 0.000 1.448 458 K CA 1.663 57.883 56.287 -0.112 0.000 0.446 458 K CB -1.290 31.110 32.500 -0.167 0.000 0.635 458 K HN 0.789 nan 8.250 nan 0.000 0.848 459 Q N 0.624 120.371 119.800 -0.087 0.000 2.466 459 Q HA 0.101 4.441 4.340 0.000 0.000 0.210 459 Q C 1.131 177.238 176.000 0.179 0.000 0.961 459 Q CA 0.913 56.702 55.803 -0.024 0.000 0.953 459 Q CB 0.472 29.072 28.738 -0.230 0.000 1.011 459 Q HN 0.379 nan 8.270 nan 0.000 0.516 460 S N -0.444 115.345 115.700 0.148 0.000 2.558 460 S HA 0.321 4.791 4.470 0.000 0.000 0.217 460 S C 0.900 175.540 174.600 0.066 0.000 0.975 460 S CA 0.447 58.734 58.200 0.145 0.000 0.912 460 S CB 0.490 63.736 63.200 0.077 0.000 0.776 460 S HN 0.603 nan 8.310 nan 0.000 0.526 461 G N 0.712 109.537 108.800 0.041 0.000 2.362 461 G HA2 0.015 3.975 3.960 0.000 0.000 0.517 461 G HA3 0.015 3.975 3.960 0.000 0.000 0.517 461 G C -1.666 173.233 174.900 -0.002 0.000 1.256 461 G CA -1.031 44.089 45.100 0.034 0.000 1.027 461 G HN 0.264 nan 8.290 nan 0.000 0.491 462 L N 0.058 121.284 121.223 0.005 0.000 2.354 462 L HA 0.862 5.202 4.340 0.000 0.000 0.264 462 L C 0.849 177.716 176.870 -0.005 0.000 1.008 462 L CA -0.196 54.637 54.840 -0.011 0.000 0.819 462 L CB 1.722 43.774 42.059 -0.011 0.000 1.339 462 L HN 2.644 nan 8.230 nan 0.000 0.420 463 G N 1.056 109.848 108.800 -0.014 0.000 2.733 463 G HA2 -0.071 3.889 3.960 0.000 0.000 0.686 463 G HA3 -0.071 3.889 3.960 0.000 0.000 0.686 463 G C -1.281 173.631 174.900 0.021 0.000 1.373 463 G CA -0.942 44.160 45.100 0.004 0.000 0.838 463 G HN 0.482 nan 8.290 nan 0.000 0.588 464 R N 0.988 121.524 120.500 0.061 0.000 2.513 464 R HA 0.473 4.813 4.340 0.000 0.000 0.301 464 R C 0.025 176.450 176.300 0.210 0.000 0.968 464 R CA -0.665 55.497 56.100 0.103 0.000 0.872 464 R CB 1.832 32.161 30.300 0.049 0.000 1.177 464 R HN 0.759 nan 8.270 nan 0.000 0.444 465 E N 0.293 120.650 120.200 0.263 0.000 2.227 465 E HA 0.626 4.976 4.350 0.000 0.000 0.268 465 E C 0.094 176.933 176.600 0.398 0.000 0.990 465 E CA -0.439 56.152 56.400 0.319 0.000 0.856 465 E CB 1.493 31.323 29.700 0.218 0.000 1.159 465 E HN 0.737 nan 8.360 nan 0.000 0.401 466 G N 1.306 110.444 108.800 0.564 0.000 2.829 466 G HA2 -0.062 3.898 3.960 0.000 0.000 0.628 466 G HA3 -0.062 3.898 3.960 0.000 0.000 0.628 466 G C -0.013 175.057 174.900 0.283 0.000 1.412 466 G CA -0.231 45.138 45.100 0.448 0.000 0.864 466 G HN 1.537 nan 8.290 nan 0.000 0.544 467 S N -2.135 113.542 115.700 -0.038 0.000 3.585 467 S HA -0.270 4.200 4.470 0.000 0.000 0.638 467 S C 1.263 176.085 174.600 0.369 0.000 2.340 467 S CA 1.606 59.838 58.200 0.054 0.000 2.517 467 S CB -1.143 62.049 63.200 -0.014 0.000 0.329 467 S HN 2.720 nan 8.310 nan 0.000 1.795 468 H N 0.154 119.384 119.070 0.266 0.000 2.495 468 H HA 0.009 4.565 4.556 0.000 0.000 0.287 468 H C 1.624 177.010 175.328 0.096 0.000 1.033 468 H CA 1.551 57.678 56.048 0.132 0.000 1.307 468 H CB -0.551 29.171 29.762 -0.067 0.000 1.401 468 H HN 0.720 nan 8.280 nan 0.000 0.555 469 Y N 1.946 122.264 120.300 0.030 0.000 2.616 469 Y HA 0.082 4.632 4.550 0.000 0.000 0.296 469 Y C 2.675 178.718 175.900 0.239 0.000 1.154 469 Y CA 0.501 58.684 58.100 0.137 0.000 1.325 469 Y CB -0.312 38.158 38.460 0.017 0.000 1.007 469 Y HN 0.356 nan 8.280 nan 0.000 0.542 470 G N 0.199 109.288 108.800 0.483 0.000 2.414 470 G HA2 -0.244 3.716 3.960 0.000 0.000 0.215 470 G HA3 -0.244 3.716 3.960 0.000 0.000 0.215 470 G C 1.598 176.788 174.900 0.482 0.000 1.188 470 G CA 0.790 46.233 45.100 0.571 0.000 0.783 470 G HN 0.380 nan 8.290 nan 0.000 0.537 471 I N 0.999 121.870 120.570 0.503 0.000 2.567 471 I HA -0.084 4.086 4.170 0.000 0.000 0.257 471 I C 1.987 178.317 176.117 0.354 0.000 1.184 471 I CA 0.955 62.474 61.300 0.365 0.000 1.451 471 I CB -0.064 38.133 38.000 0.327 0.000 1.089 471 I HN 0.019 nan 8.210 nan 0.000 0.441 472 D N 0.785 121.373 120.400 0.314 0.000 2.123 472 D HA -0.198 4.442 4.640 0.000 0.000 0.196 472 D C 1.697 178.095 176.300 0.163 0.000 0.992 472 D CA 1.358 55.498 54.000 0.234 0.000 0.833 472 D CB -0.172 40.775 40.800 0.245 0.000 0.954 472 D HN 0.371 nan 8.370 nan 0.000 0.455 473 D N -0.897 119.569 120.400 0.110 0.000 2.219 473 D HA -0.133 4.507 4.640 0.000 0.000 0.205 473 D C 1.509 177.702 176.300 -0.178 0.000 0.970 473 D CA 0.637 54.583 54.000 -0.091 0.000 0.851 473 D CB -0.329 40.316 40.800 -0.259 0.000 0.943 473 D HN 0.426 nan 8.370 nan 0.000 0.488 474 Y N 0.269 120.598 120.300 0.047 0.000 2.511 474 Y HA 0.067 4.617 4.550 0.000 0.000 0.279 474 Y C 1.164 177.104 175.900 0.066 0.000 1.157 474 Y CA -0.311 57.811 58.100 0.036 0.000 1.300 474 Y CB 0.168 38.640 38.460 0.020 0.000 1.052 474 Y HN -0.183 nan 8.280 nan 0.000 0.529 475 V N -2.752 117.276 119.914 0.190 0.000 3.096 475 V HA 0.753 4.873 4.120 0.000 0.000 0.319 475 V C -0.570 175.594 176.094 0.117 0.000 1.103 475 V CA -1.262 61.135 62.300 0.161 0.000 1.016 475 V CB 1.976 33.893 31.823 0.156 0.000 1.090 475 V HN -0.297 nan 8.190 nan 0.000 0.449 476 V N 1.934 121.919 119.914 0.118 0.000 2.760 476 V HA 0.524 4.644 4.120 0.000 0.000 0.309 476 V C -0.473 175.678 176.094 0.095 0.000 1.077 476 V CA -0.593 61.767 62.300 0.099 0.000 0.910 476 V CB 1.953 33.840 31.823 0.106 0.000 1.008 476 V HN 0.834 nan 8.190 nan 0.000 0.424 477 I N 5.150 125.771 120.570 0.085 0.000 2.371 477 I HA 0.460 4.630 4.170 0.000 0.000 0.290 477 I C -0.015 176.159 176.117 0.096 0.000 1.028 477 I CA -0.320 61.032 61.300 0.087 0.000 1.345 477 I CB 0.939 38.986 38.000 0.079 0.000 1.407 477 I HN 0.477 nan 8.210 nan 0.000 0.501 478 K N 6.552 127.011 120.400 0.098 0.000 2.394 478 K HA 0.268 4.588 4.320 0.000 0.000 0.260 478 K C -1.342 175.341 176.600 0.139 0.000 0.967 478 K CA -0.664 55.682 56.287 0.099 0.000 0.855 478 K CB 1.238 33.775 32.500 0.062 0.000 1.101 478 K HN 0.497 nan 8.250 nan 0.000 0.433 479 Y N 5.968 126.281 120.300 0.021 0.000 2.383 479 Y HA 0.336 4.886 4.550 0.000 0.000 0.344 479 Y C -1.468 174.440 175.900 0.013 0.000 0.986 479 Y CA -0.885 57.225 58.100 0.017 0.000 1.175 479 Y CB 0.554 39.024 38.460 0.017 0.000 1.152 479 Y HN 0.464 nan 8.280 nan 0.000 0.511 480 L N 7.786 128.876 121.223 -0.220 0.000 2.276 480 L HA 0.343 4.683 4.340 0.000 0.000 0.286 480 L C -0.634 175.989 176.870 -0.411 0.000 1.024 480 L CA -0.659 53.989 54.840 -0.320 0.000 0.826 480 L CB 1.105 43.098 42.059 -0.111 0.000 1.211 480 L HN 0.740 nan 8.230 nan 0.000 0.422 481 C N 5.377 124.339 119.300 -0.564 0.000 2.223 481 C HA 0.558 5.018 4.460 0.000 0.000 0.324 481 C C 0.279 175.182 174.990 -0.145 0.000 1.196 481 C CA -0.436 58.398 59.018 -0.306 0.000 1.628 481 C CB -0.073 27.482 27.740 -0.309 0.000 2.229 481 C HN 0.546 nan 8.230 nan 0.000 0.486 482 V N 7.003 126.874 119.914 -0.072 0.000 2.394 482 V HA 0.622 4.742 4.120 0.000 0.000 0.282 482 V C 0.904 176.984 176.094 -0.023 0.000 1.031 482 V CA -0.284 61.988 62.300 -0.047 0.000 0.881 482 V CB 1.115 32.918 31.823 -0.033 0.000 0.982 482 V HN 1.041 nan 8.190 nan 0.000 0.451 483 A N 4.529 127.335 122.820 -0.023 0.000 2.267 483 A HA 0.790 5.110 4.320 0.000 0.000 0.271 483 A C -0.075 177.504 177.584 -0.008 0.000 1.131 483 A CA -0.160 51.870 52.037 -0.012 0.000 0.818 483 A CB 1.113 20.105 19.000 -0.013 0.000 1.118 483 A HN 0.874 nan 8.150 nan 0.000 0.501 484 V N 0.000 119.911 119.914 -0.004 0.000 2.409 484 V HA 0.000 4.120 4.120 0.000 0.000 0.244 484 V CA 0.000 62.298 62.300 -0.004 0.000 1.235 484 V CB 0.000 31.823 31.823 -0.001 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556