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_4 DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.875 174.900 -0.041 0.000 0.946 3 G CA 0.000 45.068 45.100 -0.053 0.000 0.502 4 S N 0.985 116.664 115.700 -0.035 0.000 3.065 4 S HA 0.669 5.139 4.470 -0.000 0.000 0.311 4 S C 0.089 174.674 174.600 -0.025 0.000 1.204 4 S CA 0.056 58.241 58.200 -0.025 0.000 1.040 4 S CB -0.583 62.606 63.200 -0.019 0.000 1.436 4 S HN 0.462 nan 8.310 nan 0.000 0.532 5 M N 1.477 121.062 119.600 -0.025 0.000 2.520 5 M HA 0.374 4.854 4.480 -0.000 0.000 0.283 5 M C 0.437 176.730 176.300 -0.013 0.000 1.237 5 M CA -0.889 54.398 55.300 -0.020 0.000 0.885 5 M CB 2.245 34.828 32.600 -0.030 0.000 1.727 5 M HN 0.206 nan 8.290 nan 0.000 0.468 6 K N 0.753 121.149 120.400 -0.006 0.000 2.032 6 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 6 K C 0.204 176.805 176.600 0.002 0.000 1.048 6 K CA 1.583 57.869 56.287 -0.001 0.000 0.927 6 K CB 0.053 32.555 32.500 0.003 0.000 0.712 6 K HN 0.508 nan 8.250 nan 0.000 0.441 7 D N -1.299 119.105 120.400 0.007 0.000 2.440 7 D HA 0.175 4.815 4.640 -0.000 0.000 0.252 7 D C -2.466 173.836 176.300 0.004 0.000 1.180 7 D CA -2.353 51.657 54.000 0.018 0.000 0.894 7 D CB 1.432 42.258 40.800 0.043 0.000 1.111 7 D HN -0.168 nan 8.370 nan 0.000 0.544 8 P HA 0.048 nan 4.420 nan 0.000 0.249 8 P C 0.963 178.209 177.300 -0.090 0.000 1.229 8 P CA 0.248 63.316 63.100 -0.054 0.000 0.788 8 P CB 0.268 31.936 31.700 -0.054 0.000 1.072 9 S N -1.050 114.607 115.700 -0.071 0.000 2.527 9 S HA 0.029 4.499 4.470 -0.000 0.000 0.222 9 S C 1.664 176.107 174.600 -0.262 0.000 0.985 9 S CA 0.229 58.325 58.200 -0.172 0.000 0.921 9 S CB -1.239 61.895 63.200 -0.109 0.000 0.772 9 S HN 0.066 nan 8.310 nan 0.000 0.529 10 L N 0.485 121.674 121.223 -0.058 0.000 2.141 10 L HA 0.221 4.561 4.340 -0.000 0.000 0.209 10 L C 1.242 178.040 176.870 -0.120 0.000 1.094 10 L CA 0.551 55.409 54.840 0.031 0.000 0.763 10 L CB -0.368 41.758 42.059 0.111 0.000 0.908 10 L HN 0.352 nan 8.230 nan 0.000 0.437 11 L N 1.888 122.983 121.223 -0.213 0.000 2.433 11 L HA 0.113 4.453 4.340 -0.000 0.000 0.275 11 L C -0.123 176.484 176.870 -0.437 0.000 1.128 11 L CA -0.104 54.526 54.840 -0.351 0.000 0.875 11 L CB -0.004 41.799 42.059 -0.427 0.000 1.171 11 L HN 0.137 nan 8.230 nan 0.000 0.463 12 R N 4.235 124.521 120.500 -0.356 0.000 2.532 12 R HA 0.339 4.679 4.340 -0.000 0.000 0.295 12 R C -0.128 175.998 176.300 -0.290 0.000 0.968 12 R CA -0.665 55.233 56.100 -0.337 0.000 0.916 12 R CB 1.139 31.319 30.300 -0.201 0.000 1.124 12 R HN 0.617 nan 8.270 nan 0.000 0.463 13 H N 0.071 119.147 119.070 0.010 0.000 2.784 13 H HA 0.265 4.821 4.556 -0.000 0.000 0.273 13 H C -0.138 175.219 175.328 0.049 0.000 1.112 13 H CA -0.002 56.088 56.048 0.071 0.000 1.162 13 H CB 1.589 31.355 29.762 0.006 0.000 1.586 13 H HN 0.386 nan 8.280 nan 0.000 0.548 14 Q N 0.312 120.210 119.800 0.163 0.000 2.297 14 Q HA 0.684 5.024 4.340 -0.000 0.000 0.268 14 Q C -0.559 175.675 176.000 0.390 0.000 1.045 14 Q CA -0.889 55.061 55.803 0.246 0.000 0.861 14 Q CB 2.912 31.820 28.738 0.282 0.000 1.344 14 Q HN 0.231 nan 8.270 nan 0.000 0.452 15 A N 0.918 123.920 122.820 0.302 0.000 2.282 15 A HA 0.438 4.758 4.320 -0.000 0.000 0.319 15 A C -1.678 175.999 177.584 0.155 0.000 1.121 15 A CA -0.268 51.906 52.037 0.229 0.000 0.836 15 A CB 0.508 19.575 19.000 0.111 0.000 1.146 15 A HN 0.662 nan 8.150 nan 0.000 0.494 16 Y N 2.009 122.166 120.300 -0.238 0.000 2.353 16 Y HA 0.527 5.077 4.550 -0.000 0.000 0.340 16 Y C -0.637 175.072 175.900 -0.318 0.000 0.972 16 Y CA -0.997 56.761 58.100 -0.569 0.000 1.157 16 Y CB 0.910 38.889 38.460 -0.801 0.000 1.157 16 Y HN 0.382 nan 8.280 nan 0.000 0.495 17 I N 5.425 125.660 120.570 -0.557 0.000 2.503 17 I HA 0.242 4.412 4.170 -0.000 0.000 0.282 17 I C 0.806 176.669 176.117 -0.424 0.000 1.059 17 I CA -0.530 60.555 61.300 -0.358 0.000 1.081 17 I CB 1.053 38.941 38.000 -0.186 0.000 1.210 17 I HN 0.861 nan 8.210 nan 0.000 0.450 18 G N 4.535 113.107 108.800 -0.379 0.000 2.233 18 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.270 18 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.270 18 G C 1.077 175.722 174.900 -0.426 0.000 1.011 18 G CA 0.910 45.819 45.100 -0.319 0.000 0.762 18 G HN 1.618 nan 8.290 nan 0.000 0.511 19 G N -1.660 106.645 108.800 -0.825 0.000 2.254 19 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.225 19 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.225 19 G C 0.123 174.515 174.900 -0.847 0.000 1.003 19 G CA 0.803 45.358 45.100 -0.909 0.000 0.622 19 G HN 1.005 nan 8.290 nan 0.000 0.507 20 E N 0.373 120.215 120.200 -0.598 0.000 2.229 20 E HA 0.509 4.859 4.350 -0.000 0.000 0.283 20 E C -0.228 176.178 176.600 -0.324 0.000 1.030 20 E CA -0.625 55.596 56.400 -0.300 0.000 0.836 20 E CB 0.256 29.871 29.700 -0.141 0.000 1.068 20 E HN 0.354 nan 8.360 nan 0.000 0.401 21 W N 2.982 124.282 121.300 -0.001 0.000 2.303 21 W HA 0.212 4.872 4.660 -0.000 0.000 0.318 21 W C 0.475 177.003 176.519 0.016 0.000 1.362 21 W CA -0.039 57.348 57.345 0.071 0.000 1.234 21 W CB 0.446 29.969 29.460 0.106 0.000 1.248 21 W HN 0.342 nan 8.180 nan 0.000 0.546 22 Q N 1.660 121.587 119.800 0.211 0.000 2.544 22 Q HA 0.802 5.142 4.340 -0.000 0.000 0.291 22 Q C -0.684 175.388 176.000 0.120 0.000 1.068 22 Q CA -1.123 54.750 55.803 0.116 0.000 0.785 22 Q CB 2.411 31.170 28.738 0.036 0.000 1.481 22 Q HN 0.540 nan 8.270 nan 0.000 0.430 23 A N 0.398 123.266 122.820 0.080 0.000 2.309 23 A HA 0.879 5.199 4.320 -0.000 0.000 0.317 23 A C -0.820 176.792 177.584 0.047 0.000 1.134 23 A CA -0.303 51.773 52.037 0.065 0.000 0.866 23 A CB 0.841 19.871 19.000 0.051 0.000 1.329 23 A HN 0.730 nan 8.150 nan 0.000 0.477 24 A N 0.064 122.910 122.820 0.044 0.000 2.531 24 A HA 0.301 4.621 4.320 -0.000 0.000 0.236 24 A C 0.676 178.279 177.584 0.032 0.000 1.062 24 A CA 0.339 52.401 52.037 0.041 0.000 0.760 24 A CB -0.285 18.745 19.000 0.050 0.000 0.995 24 A HN 0.781 nan 8.150 nan 0.000 0.501 25 D N 1.401 121.817 120.400 0.026 0.000 2.157 25 D HA -0.183 4.457 4.640 -0.000 0.000 0.191 25 D C 2.092 178.405 176.300 0.021 0.000 1.004 25 D CA 2.480 56.492 54.000 0.020 0.000 0.854 25 D CB -0.141 40.669 40.800 0.016 0.000 0.936 25 D HN 0.686 nan 8.370 nan 0.000 0.446 26 S N -0.965 114.750 115.700 0.025 0.000 2.605 26 S HA 0.080 4.550 4.470 -0.000 0.000 0.217 26 S C 0.288 174.904 174.600 0.026 0.000 0.958 26 S CA 0.364 58.578 58.200 0.024 0.000 0.919 26 S CB 0.199 63.415 63.200 0.027 0.000 0.780 26 S HN 0.109 nan 8.310 nan 0.000 0.507 27 D N 0.470 120.886 120.400 0.027 0.000 3.067 27 D HA -0.174 4.466 4.640 -0.000 0.000 0.216 27 D C 0.322 176.641 176.300 0.031 0.000 1.162 27 D CA 1.071 55.087 54.000 0.026 0.000 0.960 27 D CB -1.456 39.356 40.800 0.019 0.000 1.129 27 D HN 0.808 nan 8.370 nan 0.000 0.408 28 A N 0.639 123.485 122.820 0.042 0.000 2.492 28 A HA 0.493 4.813 4.320 -0.000 0.000 0.254 28 A C 0.862 178.488 177.584 0.071 0.000 1.091 28 A CA 0.939 53.012 52.037 0.059 0.000 0.768 28 A CB 0.350 19.391 19.000 0.069 0.000 1.028 28 A HN 0.323 nan 8.150 nan 0.000 0.498 29 T N 0.099 114.695 114.554 0.069 0.000 2.906 29 T HA 0.750 5.100 4.350 -0.000 0.000 0.295 29 T C -0.503 174.265 174.700 0.112 0.000 1.061 29 T CA -0.621 61.499 62.100 0.035 0.000 1.000 29 T CB 1.222 70.071 68.868 -0.032 0.000 1.103 29 T HN 1.168 nan 8.240 nan 0.000 0.486 30 F N -0.567 119.395 119.950 0.020 0.000 2.579 30 F HA 0.843 5.370 4.527 -0.000 0.000 0.324 30 F C -0.227 175.578 175.800 0.008 0.000 1.058 30 F CA -1.344 56.670 58.000 0.024 0.000 0.944 30 F CB 1.390 40.406 39.000 0.026 0.000 1.245 30 F HN 0.713 nan 8.300 nan 0.000 0.477 31 E N 1.478 121.808 120.200 0.216 0.000 2.197 31 E HA 0.542 4.892 4.350 -0.000 0.000 0.281 31 E C -1.354 175.239 176.600 -0.011 0.000 0.995 31 E CA -0.886 55.506 56.400 -0.015 0.000 0.808 31 E CB 1.929 31.611 29.700 -0.030 0.000 1.093 31 E HN 0.614 nan 8.360 nan 0.000 0.394 32 V N 4.673 124.464 119.914 -0.206 0.000 2.532 32 V HA 0.447 4.567 4.120 -0.000 0.000 0.295 32 V C -0.607 175.300 176.094 -0.313 0.000 1.041 32 V CA -0.436 61.817 62.300 -0.079 0.000 0.926 32 V CB 0.853 32.650 31.823 -0.043 0.000 0.992 32 V HN 0.537 nan 8.190 nan 0.000 0.457 33 F N 0.883 120.899 119.950 0.110 0.000 2.588 33 F HA 0.411 4.938 4.527 -0.000 0.000 0.314 33 F C 0.151 175.980 175.800 0.048 0.000 1.069 33 F CA -0.857 57.188 58.000 0.075 0.000 0.931 33 F CB 1.545 40.576 39.000 0.052 0.000 1.260 33 F HN 0.392 nan 8.300 nan 0.000 0.465 34 D N 3.833 124.363 120.400 0.216 0.000 2.348 34 D HA 0.152 4.792 4.640 -0.000 0.000 0.253 34 D C -1.638 174.678 176.300 0.026 0.000 1.161 34 D CA -1.712 52.343 54.000 0.092 0.000 0.876 34 D CB 1.681 42.511 40.800 0.049 0.000 1.160 34 D HN 0.175 nan 8.370 nan 0.000 0.459 35 P HA -0.001 nan 4.420 nan 0.000 0.237 35 P C 0.585 177.760 177.300 -0.208 0.000 1.178 35 P CA 0.333 63.373 63.100 -0.100 0.000 0.766 35 P CB 0.414 32.040 31.700 -0.122 0.000 0.876 36 A N 0.191 122.897 122.820 -0.190 0.000 1.997 36 A HA 0.043 4.363 4.320 -0.000 0.000 0.212 36 A C 1.950 179.387 177.584 -0.245 0.000 1.178 36 A CA 1.817 53.764 52.037 -0.150 0.000 0.698 36 A CB -0.864 18.155 19.000 0.030 0.000 0.842 36 A HN 0.334 nan 8.150 nan 0.000 0.458 37 T N -6.610 107.708 114.554 -0.394 0.000 2.966 37 T HA 0.427 4.777 4.350 -0.000 0.000 0.254 37 T C 1.483 175.894 174.700 -0.483 0.000 0.961 37 T CA 1.071 62.882 62.100 -0.482 0.000 0.915 37 T CB 0.375 69.182 68.868 -0.101 0.000 1.186 37 T HN 1.630 nan 8.240 nan 0.000 0.505 38 G N 2.647 111.302 108.800 -0.242 0.000 2.212 38 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.266 38 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.266 38 G C -0.027 175.042 174.900 0.282 0.000 0.978 38 G CA 0.422 45.570 45.100 0.079 0.000 0.632 38 G HN 1.089 nan 8.290 nan 0.000 0.537 39 E N 0.762 121.084 120.200 0.204 0.000 2.383 39 E HA 0.512 4.862 4.350 -0.000 0.000 0.264 39 E C 0.289 177.034 176.600 0.242 0.000 1.050 39 E CA 0.144 56.681 56.400 0.229 0.000 0.896 39 E CB 1.150 30.916 29.700 0.110 0.000 0.982 39 E HN 0.280 nan 8.360 nan 0.000 0.424 40 S N 0.815 116.593 115.700 0.130 0.000 2.580 40 S HA 0.281 4.751 4.470 -0.000 0.000 0.274 40 S C 0.658 175.185 174.600 -0.121 0.000 1.329 40 S CA 0.058 58.131 58.200 -0.212 0.000 1.036 40 S CB 0.785 63.817 63.200 -0.281 0.000 0.919 40 S HN 0.627 nan 8.310 nan 0.000 0.515 41 L N 2.660 123.801 121.223 -0.137 0.000 2.664 41 L HA 0.689 5.029 4.340 -0.000 0.000 0.233 41 L C 1.315 178.217 176.870 0.053 0.000 1.113 41 L CA 0.751 55.581 54.840 -0.018 0.000 0.896 41 L CB -1.628 40.495 42.059 0.107 0.000 1.163 41 L HN 1.369 nan 8.230 nan 0.000 0.497 42 G N -0.999 107.799 108.800 -0.003 0.000 2.352 42 G HA2 0.350 4.310 3.960 -0.000 0.000 0.324 42 G HA3 0.350 4.310 3.960 -0.000 0.000 0.324 42 G C -0.052 174.887 174.900 0.065 0.000 1.249 42 G CA 0.380 45.486 45.100 0.010 0.000 1.053 42 G HN 1.641 nan 8.290 nan 0.000 0.492 43 T N -2.311 112.276 114.554 0.055 0.000 2.940 43 T HA 0.921 5.271 4.350 -0.000 0.000 0.288 43 T C 0.120 174.859 174.700 0.066 0.000 1.033 43 T CA 0.101 62.188 62.100 -0.020 0.000 1.033 43 T CB 1.685 70.497 68.868 -0.093 0.000 1.079 43 T HN 2.190 nan 8.240 nan 0.000 0.496 44 V N -2.111 117.631 119.914 -0.286 0.000 3.007 44 V HA 0.756 4.876 4.120 -0.000 0.000 0.311 44 V C -3.173 172.703 176.094 -0.364 0.000 1.120 44 V CA -3.180 58.930 62.300 -0.317 0.000 0.980 44 V CB 1.441 32.939 31.823 -0.542 0.000 1.033 44 V HN 0.737 nan 8.190 nan 0.000 0.429 45 P HA 0.242 nan 4.420 nan 0.000 0.271 45 P C -0.932 176.397 177.300 0.049 0.000 1.218 45 P CA -0.133 62.946 63.100 -0.035 0.000 0.780 45 P CB 0.451 32.169 31.700 0.031 0.000 0.901 46 K N 3.885 124.387 120.400 0.169 0.000 2.319 46 K HA 0.266 4.586 4.320 -0.000 0.000 0.237 46 K C -0.069 176.625 176.600 0.157 0.000 1.113 46 K CA -0.158 56.310 56.287 0.302 0.000 1.072 46 K CB -0.355 32.357 32.500 0.353 0.000 1.734 46 K HN 0.448 nan 8.250 nan 0.000 0.429 47 M N 0.771 120.451 119.600 0.133 0.000 2.227 47 M HA 0.322 4.802 4.480 -0.000 0.000 0.316 47 M C 0.894 177.233 176.300 0.065 0.000 1.144 47 M CA -0.359 54.989 55.300 0.081 0.000 1.121 47 M CB 1.209 33.848 32.600 0.066 0.000 1.440 47 M HN 0.582 nan 8.290 nan 0.000 0.473 48 G N -0.433 108.392 108.800 0.042 0.000 3.259 48 G HA2 0.574 4.534 3.960 -0.000 0.000 0.178 48 G HA3 0.574 4.534 3.960 -0.000 0.000 0.178 48 G C 0.386 175.297 174.900 0.018 0.000 1.129 48 G CA 0.131 45.248 45.100 0.028 0.000 0.816 48 G HN 0.719 nan 8.290 nan 0.000 0.634 49 A N -0.612 122.214 122.820 0.010 0.000 2.014 49 A HA 0.380 4.700 4.320 -0.000 0.000 0.218 49 A C 2.531 180.116 177.584 0.002 0.000 1.163 49 A CA 2.305 54.344 52.037 0.004 0.000 0.652 49 A CB -0.767 18.234 19.000 0.001 0.000 0.808 49 A HN 1.193 nan 8.150 nan 0.000 0.449 50 A N 0.345 123.168 122.820 0.004 0.000 1.840 50 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 50 A C 1.841 179.424 177.584 -0.003 0.000 1.198 50 A CA 1.700 53.738 52.037 0.001 0.000 0.608 50 A CB -0.582 18.420 19.000 0.003 0.000 0.839 50 A HN 0.454 nan 8.150 nan 0.000 0.443 51 E N -0.129 120.072 120.200 0.001 0.000 2.118 51 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 51 E C 2.006 178.598 176.600 -0.013 0.000 0.992 51 E CA 1.814 58.211 56.400 -0.006 0.000 0.804 51 E CB -0.667 29.037 29.700 0.005 0.000 0.741 51 E HN 0.601 nan 8.360 nan 0.000 0.458 52 T N 0.473 115.023 114.554 -0.005 0.000 2.708 52 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 52 T C 1.999 176.688 174.700 -0.017 0.000 1.037 52 T CA 1.380 63.474 62.100 -0.009 0.000 1.146 52 T CB -0.424 68.444 68.868 -0.000 0.000 0.865 52 T HN 0.319 nan 8.240 nan 0.000 0.435 53 A N 1.370 124.181 122.820 -0.014 0.000 1.933 53 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 53 A C 2.303 179.874 177.584 -0.022 0.000 1.175 53 A CA 1.738 53.765 52.037 -0.016 0.000 0.628 53 A CB -0.541 18.452 19.000 -0.011 0.000 0.814 53 A HN 0.387 nan 8.150 nan 0.000 0.444 54 R N -0.734 119.751 120.500 -0.025 0.000 2.115 54 R HA 0.011 4.351 4.340 -0.000 0.000 0.226 54 R C 2.305 178.576 176.300 -0.050 0.000 1.100 54 R CA 1.135 57.214 56.100 -0.034 0.000 0.980 54 R CB -0.310 29.970 30.300 -0.035 0.000 0.875 54 R HN 0.472 nan 8.270 nan 0.000 0.445 55 A N 0.648 123.435 122.820 -0.055 0.000 1.873 55 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 55 A C 2.023 179.570 177.584 -0.063 0.000 1.186 55 A CA 1.202 53.196 52.037 -0.073 0.000 0.616 55 A CB -0.404 18.555 19.000 -0.068 0.000 0.823 55 A HN 0.264 nan 8.150 nan 0.000 0.442 56 I N -0.210 120.332 120.570 -0.046 0.000 2.179 56 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 56 I C 2.464 178.561 176.117 -0.033 0.000 1.088 56 I CA 1.926 63.201 61.300 -0.042 0.000 1.357 56 I CB -0.275 37.706 38.000 -0.033 0.000 1.051 56 I HN 0.575 nan 8.210 nan 0.000 0.409 57 E N 1.214 121.398 120.200 -0.026 0.000 2.070 57 E HA -0.288 4.062 4.350 -0.000 0.000 0.197 57 E C 2.126 178.717 176.600 -0.016 0.000 1.004 57 E CA 1.987 58.379 56.400 -0.015 0.000 0.805 57 E CB -0.253 29.438 29.700 -0.015 0.000 0.744 57 E HN 0.456 nan 8.360 nan 0.000 0.451 58 A N 0.578 123.375 122.820 -0.037 0.000 1.969 58 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 58 A C 2.411 179.972 177.584 -0.038 0.000 1.169 58 A CA 1.681 53.690 52.037 -0.047 0.000 0.635 58 A CB -0.838 18.111 19.000 -0.086 0.000 0.810 58 A HN 0.447 nan 8.150 nan 0.000 0.445 59 A N -0.682 122.110 122.820 -0.047 0.000 1.873 59 A HA -0.202 4.118 4.320 -0.000 0.000 0.215 59 A C 2.167 179.766 177.584 0.024 0.000 1.186 59 A CA 1.766 53.776 52.037 -0.044 0.000 0.616 59 A CB -0.637 18.314 19.000 -0.081 0.000 0.823 59 A HN 0.620 nan 8.150 nan 0.000 0.442 60 Q N -0.528 119.291 119.800 0.031 0.000 2.077 60 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 60 Q C 2.109 178.204 176.000 0.159 0.000 0.989 60 Q CA 2.061 57.927 55.803 0.106 0.000 0.853 60 Q CB -0.367 28.414 28.738 0.072 0.000 0.907 60 Q HN 0.624 nan 8.270 nan 0.000 0.418 61 A N -0.242 122.633 122.820 0.092 0.000 2.067 61 A HA 0.042 4.362 4.320 -0.000 0.000 0.219 61 A C 1.996 179.639 177.584 0.100 0.000 1.158 61 A CA 1.337 53.423 52.037 0.082 0.000 0.661 61 A CB -0.440 18.583 19.000 0.039 0.000 0.801 61 A HN 0.515 nan 8.150 nan 0.000 0.452 62 A N -2.172 120.716 122.820 0.113 0.000 2.147 62 A HA 0.136 4.456 4.320 -0.000 0.000 0.211 62 A C 1.694 179.435 177.584 0.260 0.000 1.160 62 A CA 0.746 52.862 52.037 0.130 0.000 0.781 62 A CB -0.592 18.438 19.000 0.051 0.000 0.842 62 A HN 0.712 nan 8.150 nan 0.000 0.475 63 W N 1.461 122.806 121.300 0.075 0.000 2.315 63 W HA -0.267 4.393 4.660 -0.000 0.000 0.323 63 W C 2.377 178.983 176.519 0.145 0.000 1.233 63 W CA 1.969 59.392 57.345 0.129 0.000 1.267 63 W CB -0.866 28.649 29.460 0.091 0.000 1.160 63 W HN 0.362 nan 8.180 nan 0.000 0.474 64 A N 0.529 123.368 122.820 0.032 0.000 1.903 64 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 64 A C 2.303 179.855 177.584 -0.053 0.000 1.191 64 A CA 2.815 54.764 52.037 -0.146 0.000 0.638 64 A CB -1.657 17.293 19.000 -0.082 0.000 0.823 64 A HN 0.468 nan 8.150 nan 0.000 0.451 65 G N -2.567 106.271 108.800 0.063 0.000 2.464 65 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 65 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 65 G C 1.462 176.452 174.900 0.149 0.000 1.138 65 G CA 0.775 45.925 45.100 0.083 0.000 0.793 65 G HN 0.707 nan 8.290 nan 0.000 0.539 66 W N 2.520 123.844 121.300 0.041 0.000 2.494 66 W HA -0.016 4.644 4.660 -0.000 0.000 0.286 66 W C 2.540 179.100 176.519 0.069 0.000 1.218 66 W CA 0.821 58.211 57.345 0.075 0.000 1.313 66 W CB 0.090 29.630 29.460 0.133 0.000 1.105 66 W HN 0.315 nan 8.180 nan 0.000 0.561 67 R N 0.313 120.849 120.500 0.059 0.000 2.189 67 R HA -0.126 4.214 4.340 -0.000 0.000 0.223 67 R C 2.107 178.305 176.300 -0.170 0.000 1.092 67 R CA 1.507 57.553 56.100 -0.090 0.000 0.989 67 R CB -0.943 29.242 30.300 -0.191 0.000 0.876 67 R HN 0.196 nan 8.270 nan 0.000 0.457 68 M N 1.038 120.548 119.600 -0.150 0.000 2.388 68 M HA 0.074 4.554 4.480 -0.000 0.000 0.265 68 M C -0.026 176.191 176.300 -0.138 0.000 1.088 68 M CA 0.772 55.993 55.300 -0.131 0.000 1.134 68 M CB 0.344 32.885 32.600 -0.098 0.000 1.384 68 M HN 0.033 nan 8.290 nan 0.000 0.447 69 K N 1.666 121.955 120.400 -0.185 0.000 2.469 69 K HA -0.012 4.308 4.320 -0.000 0.000 0.274 69 K C 0.500 176.972 176.600 -0.214 0.000 0.983 69 K CA 0.310 56.470 56.287 -0.213 0.000 0.974 69 K CB 0.202 32.501 32.500 -0.334 0.000 0.913 69 K HN 0.285 nan 8.250 nan 0.000 0.493 70 T N -1.203 113.255 114.554 -0.160 0.000 2.813 70 T HA 0.181 4.531 4.350 -0.000 0.000 0.297 70 T C 1.344 175.946 174.700 -0.163 0.000 1.036 70 T CA -0.258 61.762 62.100 -0.134 0.000 1.044 70 T CB 1.288 70.102 68.868 -0.091 0.000 0.993 70 T HN 0.559 nan 8.240 nan 0.000 0.535 71 A N 0.740 123.486 122.820 -0.122 0.000 1.972 71 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 71 A C 2.390 179.922 177.584 -0.088 0.000 1.169 71 A CA 1.658 53.631 52.037 -0.107 0.000 0.635 71 A CB -0.857 18.104 19.000 -0.066 0.000 0.810 71 A HN 0.959 nan 8.150 nan 0.000 0.446 72 K N -0.378 119.977 120.400 -0.076 0.000 2.057 72 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 72 K C 1.961 178.528 176.600 -0.054 0.000 1.049 72 K CA 1.697 57.950 56.287 -0.056 0.000 0.931 72 K CB -0.121 32.349 32.500 -0.049 0.000 0.714 72 K HN 0.650 nan 8.250 nan 0.000 0.440 73 E N -0.125 120.027 120.200 -0.081 0.000 2.028 73 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 73 E C 2.121 178.664 176.600 -0.094 0.000 0.988 73 E CA 0.990 57.341 56.400 -0.082 0.000 0.799 73 E CB 0.089 29.725 29.700 -0.107 0.000 0.755 73 E HN 0.203 nan 8.360 nan 0.000 0.447 74 R N 0.335 120.713 120.500 -0.203 0.000 2.103 74 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 74 R C 2.353 178.675 176.300 0.038 0.000 1.142 74 R CA 1.243 57.217 56.100 -0.210 0.000 0.960 74 R CB -0.417 29.660 30.300 -0.372 0.000 0.858 74 R HN 0.128 nan 8.270 nan 0.000 0.439 75 A N 1.056 123.884 122.820 0.013 0.000 2.019 75 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 75 A C 2.328 179.958 177.584 0.078 0.000 1.164 75 A CA 1.666 53.732 52.037 0.049 0.000 0.644 75 A CB -0.466 18.533 19.000 -0.001 0.000 0.805 75 A HN 0.430 nan 8.150 nan 0.000 0.449 76 A N -0.199 122.659 122.820 0.063 0.000 1.897 76 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 76 A C 2.012 179.675 177.584 0.132 0.000 1.181 76 A CA 1.437 53.522 52.037 0.080 0.000 0.620 76 A CB -0.522 18.508 19.000 0.050 0.000 0.821 76 A HN 0.425 nan 8.150 nan 0.000 0.443 77 I N -0.010 120.657 120.570 0.162 0.000 2.142 77 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 77 I C 2.372 178.658 176.117 0.281 0.000 1.078 77 I CA 1.275 62.705 61.300 0.216 0.000 1.343 77 I CB -0.405 37.769 38.000 0.290 0.000 1.046 77 I HN 0.262 nan 8.210 nan 0.000 0.405 78 L N -0.165 121.253 121.223 0.324 0.000 2.083 78 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 78 L C 2.698 179.784 176.870 0.360 0.000 1.083 78 L CA 1.365 56.453 54.840 0.412 0.000 0.752 78 L CB -0.622 41.651 42.059 0.357 0.000 0.899 78 L HN 0.201 nan 8.230 nan 0.000 0.433 79 R N 0.155 120.806 120.500 0.251 0.000 2.092 79 R HA -0.120 4.220 4.340 -0.000 0.000 0.231 79 R C 2.491 178.978 176.300 0.311 0.000 1.119 79 R CA 1.090 57.340 56.100 0.251 0.000 0.970 79 R CB -0.039 30.351 30.300 0.150 0.000 0.864 79 R HN 0.236 nan 8.270 nan 0.000 0.440 80 R N -0.658 119.993 120.500 0.252 0.000 2.081 80 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 80 R C 1.931 178.396 176.300 0.276 0.000 1.131 80 R CA 1.628 57.856 56.100 0.214 0.000 0.960 80 R CB -0.441 29.955 30.300 0.160 0.000 0.856 80 R HN 0.348 nan 8.270 nan 0.000 0.436 81 W N 1.089 122.457 121.300 0.113 0.000 2.355 81 W HA -0.246 4.414 4.660 -0.000 0.000 0.309 81 W C 1.880 178.472 176.519 0.121 0.000 1.206 81 W CA 1.051 58.452 57.345 0.093 0.000 1.284 81 W CB -1.026 28.497 29.460 0.104 0.000 1.145 81 W HN 0.018 nan 8.180 nan 0.000 0.502 82 F N 2.119 122.098 119.950 0.048 0.000 2.065 82 F HA -0.295 4.232 4.527 -0.000 0.000 0.298 82 F C 2.118 177.907 175.800 -0.018 0.000 1.112 82 F CA 2.739 60.687 58.000 -0.087 0.000 1.212 82 F CB -0.924 38.056 39.000 -0.033 0.000 0.975 82 F HN -0.222 nan 8.300 nan 0.000 0.476 83 D N 0.845 121.188 120.400 -0.095 0.000 2.106 83 D HA -0.228 4.412 4.640 -0.000 0.000 0.191 83 D C 2.453 178.660 176.300 -0.155 0.000 0.997 83 D CA 2.043 55.934 54.000 -0.183 0.000 0.834 83 D CB -0.718 40.094 40.800 0.020 0.000 0.956 83 D HN 0.372 nan 8.370 nan 0.000 0.448 84 L N 0.272 121.480 121.223 -0.024 0.000 2.083 84 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 84 L C 2.575 179.426 176.870 -0.032 0.000 1.083 84 L CA 0.507 55.349 54.840 0.004 0.000 0.752 84 L CB -0.272 41.841 42.059 0.089 0.000 0.899 84 L HN -0.047 nan 8.230 nan 0.000 0.433 85 V N -0.085 119.781 119.914 -0.081 0.000 2.295 85 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 85 V C 2.397 178.399 176.094 -0.154 0.000 1.049 85 V CA 1.483 63.714 62.300 -0.115 0.000 1.024 85 V CB -0.355 31.345 31.823 -0.204 0.000 0.648 85 V HN 0.290 nan 8.190 nan 0.000 0.447 86 I N 0.667 121.062 120.570 -0.292 0.000 2.226 86 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 86 I C 2.714 178.744 176.117 -0.144 0.000 1.100 86 I CA 1.991 63.133 61.300 -0.264 0.000 1.374 86 I CB -1.484 36.255 38.000 -0.436 0.000 1.057 86 I HN 0.334 nan 8.210 nan 0.000 0.413 87 A N 0.885 123.630 122.820 -0.124 0.000 1.902 87 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 87 A C 1.860 179.422 177.584 -0.038 0.000 1.181 87 A CA 1.473 53.469 52.037 -0.068 0.000 0.623 87 A CB -0.587 18.381 19.000 -0.052 0.000 0.818 87 A HN 0.491 nan 8.150 nan 0.000 0.443 88 N N -0.193 118.490 118.700 -0.028 0.000 2.276 88 N HA 0.015 4.755 4.740 -0.000 0.000 0.212 88 N C 1.341 176.851 175.510 0.002 0.000 1.127 88 N CA 0.644 53.693 53.050 -0.002 0.000 0.834 88 N CB 0.376 38.875 38.487 0.020 0.000 1.014 88 N HN 0.474 nan 8.380 nan 0.000 0.491 89 S N 1.906 117.598 115.700 -0.015 0.000 2.381 89 S HA -0.216 4.254 4.470 -0.000 0.000 0.230 89 S C 1.426 176.032 174.600 0.010 0.000 1.052 89 S CA 1.537 59.733 58.200 -0.005 0.000 1.068 89 S CB -0.041 63.148 63.200 -0.018 0.000 0.918 89 S HN 0.232 nan 8.310 nan 0.000 0.448 90 D N 0.732 121.136 120.400 0.007 0.000 2.149 90 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 90 D C 1.662 177.970 176.300 0.013 0.000 0.990 90 D CA 1.318 55.325 54.000 0.010 0.000 0.839 90 D CB -0.575 40.228 40.800 0.006 0.000 0.948 90 D HN 0.468 nan 8.370 nan 0.000 0.460 91 D N -0.232 120.176 120.400 0.014 0.000 2.162 91 D HA -0.006 4.634 4.640 -0.000 0.000 0.203 91 D C 2.319 178.633 176.300 0.023 0.000 0.967 91 D CA 0.194 54.202 54.000 0.014 0.000 0.840 91 D CB -0.125 40.684 40.800 0.016 0.000 0.972 91 D HN 0.203 nan 8.370 nan 0.000 0.482 92 L N 0.398 121.644 121.223 0.037 0.000 2.093 92 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 92 L C 2.405 179.308 176.870 0.054 0.000 1.085 92 L CA 1.105 55.978 54.840 0.055 0.000 0.755 92 L CB -0.394 41.704 42.059 0.064 0.000 0.904 92 L HN -0.017 nan 8.230 nan 0.000 0.435 93 A N -0.281 122.565 122.820 0.043 0.000 1.969 93 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 93 A C 2.182 179.786 177.584 0.034 0.000 1.169 93 A CA 1.255 53.318 52.037 0.042 0.000 0.635 93 A CB -0.456 18.566 19.000 0.037 0.000 0.810 93 A HN 0.316 nan 8.150 nan 0.000 0.445 94 L N -0.246 120.991 121.223 0.024 0.000 2.131 94 L HA 0.036 4.376 4.340 -0.000 0.000 0.206 94 L C 2.138 179.016 176.870 0.013 0.000 1.087 94 L CA 1.292 56.141 54.840 0.014 0.000 0.767 94 L CB -0.333 41.727 42.059 0.003 0.000 0.917 94 L HN 0.411 nan 8.230 nan 0.000 0.441 95 I N -1.097 119.482 120.570 0.015 0.000 2.163 95 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 95 I C 2.421 178.579 176.117 0.068 0.000 1.085 95 I CA 1.593 62.905 61.300 0.019 0.000 1.347 95 I CB -0.278 37.741 38.000 0.031 0.000 1.044 95 I HN 0.301 nan 8.210 nan 0.000 0.408 96 L N 0.059 121.326 121.223 0.074 0.000 1.988 96 L HA -0.227 4.113 4.340 -0.000 0.000 0.207 96 L C 2.655 179.562 176.870 0.062 0.000 1.071 96 L CA 1.785 56.674 54.840 0.082 0.000 0.744 96 L CB -0.428 41.673 42.059 0.070 0.000 0.893 96 L HN 0.192 nan 8.230 nan 0.000 0.433 97 T N -0.882 113.697 114.554 0.042 0.000 2.653 97 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 97 T C 1.683 176.405 174.700 0.037 0.000 1.035 97 T CA 2.196 64.314 62.100 0.031 0.000 1.154 97 T CB -0.401 68.484 68.868 0.027 0.000 0.862 97 T HN 0.455 nan 8.240 nan 0.000 0.441 98 T N 1.743 116.321 114.554 0.041 0.000 2.867 98 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 98 T C 1.977 176.720 174.700 0.072 0.000 1.057 98 T CA 1.505 63.629 62.100 0.041 0.000 1.136 98 T CB -0.187 68.692 68.868 0.018 0.000 0.874 98 T HN 0.775 nan 8.240 nan 0.000 0.466 99 E N -0.021 120.244 120.200 0.109 0.000 2.307 99 E HA 0.054 4.404 4.350 -0.000 0.000 0.195 99 E C 2.198 178.864 176.600 0.110 0.000 0.975 99 E CA 0.259 56.752 56.400 0.154 0.000 0.878 99 E CB -0.013 29.842 29.700 0.258 0.000 0.845 99 E HN 0.212 nan 8.360 nan 0.000 0.488 100 Q N 0.164 120.018 119.800 0.090 0.000 2.423 100 Q HA 0.105 4.445 4.340 -0.000 0.000 0.231 100 Q C 1.278 177.305 176.000 0.046 0.000 0.894 100 Q CA 1.471 57.330 55.803 0.093 0.000 0.938 100 Q CB 1.196 29.994 28.738 0.100 0.000 1.079 100 Q HN 0.451 nan 8.270 nan 0.000 0.552 101 G N 1.751 110.561 108.800 0.017 0.000 2.284 101 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 101 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 101 G C 0.068 174.963 174.900 -0.010 0.000 1.009 101 G CA 0.174 45.260 45.100 -0.023 0.000 0.625 101 G HN 0.418 nan 8.290 nan 0.000 0.501 102 K N 1.790 122.187 120.400 -0.005 0.000 2.436 102 K HA 0.456 4.776 4.320 -0.000 0.000 0.275 102 K C -2.457 174.148 176.600 0.008 0.000 0.999 102 K CA -0.995 55.286 56.287 -0.009 0.000 0.980 102 K CB 0.534 32.998 32.500 -0.060 0.000 0.919 102 K HN 0.128 nan 8.250 nan 0.000 0.484 103 P HA -0.128 nan 4.420 nan 0.000 0.269 103 P C 0.752 178.066 177.300 0.023 0.000 1.205 103 P CA -0.017 63.101 63.100 0.029 0.000 0.780 103 P CB 0.428 32.147 31.700 0.033 0.000 0.858 104 L N 1.626 122.865 121.223 0.026 0.000 2.012 104 L HA -0.293 4.047 4.340 -0.000 0.000 0.210 104 L C 2.292 179.178 176.870 0.027 0.000 1.073 104 L CA 2.214 57.069 54.840 0.025 0.000 0.748 104 L CB -0.864 41.208 42.059 0.022 0.000 0.891 104 L HN 0.451 nan 8.230 nan 0.000 0.431 105 A N -0.574 122.262 122.820 0.026 0.000 1.908 105 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 105 A C 2.132 179.736 177.584 0.034 0.000 1.181 105 A CA 1.831 53.885 52.037 0.028 0.000 0.627 105 A CB -0.484 18.531 19.000 0.025 0.000 0.818 105 A HN 0.471 nan 8.150 nan 0.000 0.445 106 E N -0.574 119.643 120.200 0.030 0.000 2.106 106 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 106 E C 2.329 178.949 176.600 0.033 0.000 0.984 106 E CA 0.844 57.261 56.400 0.029 0.000 0.806 106 E CB -0.237 29.469 29.700 0.009 0.000 0.750 106 E HN 0.619 nan 8.360 nan 0.000 0.458 107 A N 1.609 124.444 122.820 0.025 0.000 1.930 107 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 107 A C 1.975 179.597 177.584 0.064 0.000 1.175 107 A CA 1.148 53.206 52.037 0.034 0.000 0.627 107 A CB -0.192 18.825 19.000 0.028 0.000 0.815 107 A HN 0.022 nan 8.150 nan 0.000 0.443 108 K N -0.775 119.658 120.400 0.055 0.000 2.057 108 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 108 K C 2.186 178.835 176.600 0.082 0.000 1.049 108 K CA 1.114 57.436 56.287 0.059 0.000 0.931 108 K CB -0.526 32.000 32.500 0.043 0.000 0.714 108 K HN 0.474 nan 8.250 nan 0.000 0.440 109 G N 1.559 110.411 108.800 0.086 0.000 2.476 109 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 109 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 109 G C 1.365 176.372 174.900 0.180 0.000 1.164 109 G CA 1.097 46.261 45.100 0.107 0.000 0.768 109 G HN 0.450 nan 8.290 nan 0.000 0.560 110 E N -0.198 120.132 120.200 0.216 0.000 2.150 110 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 110 E C 2.434 179.216 176.600 0.303 0.000 0.985 110 E CA 0.457 57.071 56.400 0.357 0.000 0.814 110 E CB -0.060 29.860 29.700 0.366 0.000 0.752 110 E HN 0.321 nan 8.360 nan 0.000 0.466 111 I N 1.387 122.068 120.570 0.186 0.000 2.202 111 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 111 I C 2.560 178.747 176.117 0.116 0.000 1.091 111 I CA 1.360 62.737 61.300 0.128 0.000 1.368 111 I CB -1.598 36.450 38.000 0.079 0.000 1.058 111 I HN 0.158 nan 8.210 nan 0.000 0.410 112 A N -0.225 122.668 122.820 0.121 0.000 1.933 112 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 112 A C 2.369 180.048 177.584 0.158 0.000 1.175 112 A CA 1.476 53.581 52.037 0.113 0.000 0.628 112 A CB -1.065 17.994 19.000 0.097 0.000 0.814 112 A HN 0.480 nan 8.150 nan 0.000 0.444 113 Y N 0.624 120.961 120.300 0.061 0.000 2.163 113 Y HA -0.038 4.512 4.550 -0.000 0.000 0.288 113 Y C 2.643 178.618 175.900 0.126 0.000 1.136 113 Y CA 1.109 59.233 58.100 0.040 0.000 1.147 113 Y CB -0.675 37.828 38.460 0.071 0.000 0.987 113 Y HN 0.306 nan 8.280 nan 0.000 0.509 114 A N 0.868 123.792 122.820 0.174 0.000 1.873 114 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 114 A C 2.482 180.111 177.584 0.074 0.000 1.193 114 A CA 2.510 54.617 52.037 0.116 0.000 0.629 114 A CB -1.675 17.389 19.000 0.106 0.000 0.826 114 A HN 0.650 nan 8.150 nan 0.000 0.447 115 A N 0.320 123.185 122.820 0.074 0.000 1.883 115 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 115 A C 2.545 180.286 177.584 0.261 0.000 1.186 115 A CA 2.881 55.020 52.037 0.170 0.000 0.624 115 A CB -1.257 17.830 19.000 0.144 0.000 0.822 115 A HN 1.219 nan 8.150 nan 0.000 0.444 116 S N -1.089 114.675 115.700 0.108 0.000 2.400 116 S HA -0.180 4.290 4.470 -0.000 0.000 0.232 116 S C 1.691 176.189 174.600 -0.170 0.000 1.025 116 S CA 1.609 59.761 58.200 -0.079 0.000 0.993 116 S CB -0.782 62.298 63.200 -0.200 0.000 0.808 116 S HN 0.360 nan 8.310 nan 0.000 0.478 117 F N 1.794 121.690 119.950 -0.091 0.000 2.146 117 F HA 0.176 4.703 4.527 -0.000 0.000 0.298 117 F C 2.222 178.118 175.800 0.160 0.000 1.096 117 F CA 0.553 58.565 58.000 0.020 0.000 1.275 117 F CB -0.560 38.413 39.000 -0.045 0.000 1.008 117 F HN 0.178 nan 8.300 nan 0.000 0.480 118 I N -0.257 120.433 120.570 0.200 0.000 2.127 118 I HA -0.301 3.869 4.170 -0.000 0.000 0.241 118 I C 2.502 178.636 176.117 0.028 0.000 1.075 118 I CA 1.723 63.075 61.300 0.088 0.000 1.334 118 I CB -0.603 37.319 38.000 -0.129 0.000 1.040 118 I HN 0.159 nan 8.210 nan 0.000 0.405 119 E N 0.808 120.872 120.200 -0.227 0.000 2.058 119 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 119 E C 2.144 178.611 176.600 -0.222 0.000 0.997 119 E CA 1.585 57.674 56.400 -0.520 0.000 0.801 119 E CB -0.257 28.778 29.700 -1.108 0.000 0.746 119 E HN 0.601 nan 8.360 nan 0.000 0.450 120 W N 0.358 121.475 121.300 -0.306 0.000 2.333 120 W HA -0.263 4.397 4.660 -0.000 0.000 0.316 120 W C 1.607 177.927 176.519 -0.331 0.000 1.215 120 W CA 1.334 58.461 57.345 -0.364 0.000 1.278 120 W CB -0.543 28.610 29.460 -0.511 0.000 1.154 120 W HN 0.111 nan 8.180 nan 0.000 0.486 121 F N 0.997 120.986 119.950 0.065 0.000 2.259 121 F HA -0.041 4.486 4.527 -0.000 0.000 0.298 121 F C 2.770 178.529 175.800 -0.068 0.000 1.088 121 F CA 1.740 59.733 58.000 -0.011 0.000 1.358 121 F CB -1.437 37.634 39.000 0.118 0.000 1.040 121 F HN -0.096 nan 8.300 nan 0.000 0.505 122 A N 0.462 123.344 122.820 0.104 0.000 1.903 122 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 122 A C 2.131 179.676 177.584 -0.064 0.000 1.191 122 A CA 2.331 54.393 52.037 0.042 0.000 0.638 122 A CB -0.884 18.126 19.000 0.017 0.000 0.823 122 A HN 0.483 nan 8.150 nan 0.000 0.451 123 E N -0.915 119.171 120.200 -0.190 0.000 2.047 123 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 123 E C 2.069 178.489 176.600 -0.301 0.000 0.987 123 E CA 0.904 57.144 56.400 -0.267 0.000 0.799 123 E CB -0.210 29.263 29.700 -0.379 0.000 0.752 123 E HN 0.481 nan 8.360 nan 0.000 0.449 124 E N 0.596 120.543 120.200 -0.422 0.000 2.130 124 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 124 E C 2.225 178.769 176.600 -0.094 0.000 0.998 124 E CA 1.178 57.385 56.400 -0.323 0.000 0.806 124 E CB -0.637 28.879 29.700 -0.308 0.000 0.738 124 E HN 0.379 nan 8.360 nan 0.000 0.459 125 G N 1.875 110.664 108.800 -0.019 0.000 2.513 125 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.219 125 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.219 125 G C 1.440 176.327 174.900 -0.022 0.000 1.160 125 G CA 1.127 46.239 45.100 0.020 0.000 0.767 125 G HN 0.289 nan 8.290 nan 0.000 0.571 126 K N -0.006 120.358 120.400 -0.059 0.000 2.519 126 K HA -0.018 4.302 4.320 -0.000 0.000 0.196 126 K C 1.856 178.417 176.600 -0.065 0.000 1.041 126 K CA 0.654 56.902 56.287 -0.066 0.000 0.954 126 K CB 0.017 32.468 32.500 -0.082 0.000 0.774 126 K HN 0.233 nan 8.250 nan 0.000 0.480 127 R N 0.289 120.749 120.500 -0.068 0.000 2.508 127 R HA 0.132 4.472 4.340 -0.000 0.000 0.300 127 R C -0.406 175.878 176.300 -0.028 0.000 0.970 127 R CA -0.184 55.878 56.100 -0.064 0.000 1.102 127 R CB 1.022 31.258 30.300 -0.107 0.000 1.246 127 R HN -0.146 nan 8.270 nan 0.000 0.539 128 V N 2.215 122.130 119.914 0.002 0.000 2.420 128 V HA 0.132 4.252 4.120 -0.000 0.000 0.274 128 V C 0.358 176.466 176.094 0.024 0.000 1.003 128 V CA 0.180 62.502 62.300 0.036 0.000 1.092 128 V CB 0.200 32.061 31.823 0.064 0.000 1.002 128 V HN 0.257 nan 8.190 nan 0.000 0.473 129 A N 4.713 127.546 122.820 0.023 0.000 2.374 129 A HA 0.932 5.252 4.320 -0.000 0.000 0.317 129 A C 0.366 177.965 177.584 0.026 0.000 1.094 129 A CA 0.043 52.087 52.037 0.012 0.000 0.765 129 A CB 1.767 20.761 19.000 -0.010 0.000 1.268 129 A HN 0.839 nan 8.150 nan 0.000 0.438 130 G N -0.185 108.630 108.800 0.025 0.000 2.857 130 G HA2 0.670 4.630 3.960 -0.000 0.000 0.217 130 G HA3 0.670 4.630 3.960 -0.000 0.000 0.217 130 G C -1.118 173.796 174.900 0.022 0.000 1.357 130 G CA -0.525 44.594 45.100 0.032 0.000 1.033 130 G HN 0.709 nan 8.290 nan 0.000 0.571 131 D N -0.479 119.937 120.400 0.027 0.000 2.581 131 D HA 0.461 5.101 4.640 -0.000 0.000 0.232 131 D C -0.903 175.412 176.300 0.025 0.000 1.143 131 D CA -0.312 53.699 54.000 0.018 0.000 0.881 131 D CB 1.983 42.789 40.800 0.010 0.000 1.500 131 D HN 0.515 nan 8.370 nan 0.000 0.458 132 T N -0.938 113.627 114.554 0.017 0.000 2.809 132 T HA 0.656 5.006 4.350 -0.000 0.000 0.284 132 T C -0.301 174.407 174.700 0.013 0.000 0.992 132 T CA -0.725 61.389 62.100 0.022 0.000 0.957 132 T CB 0.634 69.514 68.868 0.019 0.000 0.942 132 T HN 0.240 nan 8.240 nan 0.000 0.439 133 L N 3.267 124.498 121.223 0.014 0.000 2.333 133 L HA 0.619 4.959 4.340 -0.000 0.000 0.269 133 L C -2.357 174.516 176.870 0.005 0.000 1.010 133 L CA -2.804 52.036 54.840 0.000 0.000 0.818 133 L CB 1.675 43.722 42.059 -0.019 0.000 1.306 133 L HN 0.418 nan 8.230 nan 0.000 0.430 134 P HA 0.042 nan 4.420 nan 0.000 0.267 134 P C -0.316 176.987 177.300 0.005 0.000 1.209 134 P CA -0.101 63.001 63.100 0.003 0.000 0.763 134 P CB 0.617 32.317 31.700 -0.000 0.000 0.816 135 T N 4.280 118.841 114.554 0.013 0.000 2.901 135 T HA 0.176 4.526 4.350 -0.000 0.000 0.301 135 T C -0.983 173.725 174.700 0.012 0.000 1.012 135 T CA -1.210 60.902 62.100 0.019 0.000 1.135 135 T CB -0.020 68.864 68.868 0.028 0.000 0.936 135 T HN 0.329 nan 8.240 nan 0.000 0.539 136 P HA 0.238 nan 4.420 nan 0.000 0.245 136 P C -0.353 176.956 177.300 0.015 0.000 1.206 136 P CA 0.292 63.398 63.100 0.009 0.000 0.781 136 P CB 0.362 32.065 31.700 0.006 0.000 0.994 137 D N -0.653 119.760 120.400 0.021 0.000 2.542 137 D HA 0.458 5.098 4.640 -0.000 0.000 0.252 137 D C 1.050 177.363 176.300 0.021 0.000 1.222 137 D CA -0.576 53.438 54.000 0.022 0.000 0.895 137 D CB 1.771 42.589 40.800 0.029 0.000 1.207 137 D HN -0.164 nan 8.370 nan 0.000 0.558 138 A N 4.136 126.966 122.820 0.016 0.000 1.927 138 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 138 A C 1.603 179.196 177.584 0.015 0.000 1.185 138 A CA 1.355 53.401 52.037 0.013 0.000 0.639 138 A CB -0.309 18.697 19.000 0.010 0.000 0.820 138 A HN 0.681 nan 8.150 nan 0.000 0.451 139 N N -0.243 118.466 118.700 0.015 0.000 2.521 139 N HA 0.040 4.780 4.740 -0.000 0.000 0.188 139 N C -0.069 175.452 175.510 0.017 0.000 1.146 139 N CA 0.633 53.691 53.050 0.013 0.000 0.893 139 N CB 0.168 38.662 38.487 0.011 0.000 0.975 139 N HN 0.557 nan 8.380 nan 0.000 0.451 140 K N -0.005 120.410 120.400 0.025 0.000 2.400 140 K HA 0.531 4.851 4.320 -0.000 0.000 0.246 140 K C -0.739 175.886 176.600 0.042 0.000 0.995 140 K CA -0.685 55.623 56.287 0.035 0.000 0.840 140 K CB 1.994 34.524 32.500 0.051 0.000 1.293 140 K HN -0.237 nan 8.250 nan 0.000 0.445 141 R N 1.118 121.649 120.500 0.052 0.000 2.621 141 R HA 0.493 4.833 4.340 -0.000 0.000 0.284 141 R C -1.521 174.837 176.300 0.097 0.000 0.998 141 R CA -0.449 55.685 56.100 0.057 0.000 0.895 141 R CB 1.087 31.409 30.300 0.036 0.000 1.195 141 R HN 0.549 nan 8.270 nan 0.000 0.450 142 I N 3.640 124.275 120.570 0.108 0.000 2.330 142 I HA 0.411 4.581 4.170 -0.000 0.000 0.289 142 I C -0.581 175.617 176.117 0.136 0.000 1.001 142 I CA -0.962 60.445 61.300 0.177 0.000 1.193 142 I CB 1.616 39.683 38.000 0.112 0.000 1.345 142 I HN 0.111 nan 8.210 nan 0.000 0.461 143 V N 7.398 127.419 119.914 0.177 0.000 2.444 143 V HA 0.404 4.524 4.120 -0.000 0.000 0.294 143 V C -0.146 176.046 176.094 0.162 0.000 1.022 143 V CA -0.651 61.721 62.300 0.119 0.000 0.850 143 V CB 2.340 34.205 31.823 0.070 0.000 0.992 143 V HN 0.390 nan 8.190 nan 0.000 0.426 144 V N 5.973 125.956 119.914 0.116 0.000 2.417 144 V HA 0.668 4.788 4.120 -0.000 0.000 0.291 144 V C -0.072 176.069 176.094 0.077 0.000 1.024 144 V CA -0.507 61.862 62.300 0.116 0.000 0.861 144 V CB 1.890 33.763 31.823 0.083 0.000 0.985 144 V HN 0.754 nan 8.190 nan 0.000 0.436 145 V N 2.454 122.415 119.914 0.078 0.000 3.113 145 V HA 0.764 4.884 4.120 -0.000 0.000 0.316 145 V C -0.673 175.462 176.094 0.069 0.000 1.125 145 V CA -1.007 61.329 62.300 0.060 0.000 1.026 145 V CB 2.266 34.116 31.823 0.045 0.000 1.080 145 V HN 0.783 nan 8.190 nan 0.000 0.444 146 K N 1.329 121.768 120.400 0.065 0.000 2.316 146 K HA 0.708 5.028 4.320 -0.000 0.000 0.251 146 K C -1.202 175.450 176.600 0.087 0.000 0.934 146 K CA -0.559 55.776 56.287 0.081 0.000 0.802 146 K CB 2.391 34.941 32.500 0.084 0.000 1.171 146 K HN 1.015 nan 8.250 nan 0.000 0.426 147 E N 1.265 121.533 120.200 0.114 0.000 2.392 147 E HA 0.357 4.707 4.350 -0.000 0.000 0.279 147 E C -2.988 173.737 176.600 0.207 0.000 0.964 147 E CA -2.557 53.928 56.400 0.142 0.000 0.777 147 E CB 1.682 31.454 29.700 0.121 0.000 1.249 147 E HN 0.148 nan 8.360 nan 0.000 0.449 148 P HA -0.060 nan 4.420 nan 0.000 0.264 148 P C 0.693 178.184 177.300 0.319 0.000 1.183 148 P CA 0.080 63.390 63.100 0.350 0.000 0.763 148 P CB 0.662 32.706 31.700 0.573 0.000 0.807 149 I N 2.371 123.034 120.570 0.154 0.000 2.194 149 I HA -0.127 4.043 4.170 -0.000 0.000 0.246 149 I C 1.137 177.208 176.117 -0.076 0.000 1.093 149 I CA 2.761 64.094 61.300 0.056 0.000 1.355 149 I CB -0.639 37.361 38.000 0.001 0.000 1.046 149 I HN 0.752 nan 8.210 nan 0.000 0.413 150 G N -1.345 107.215 108.800 -0.400 0.000 2.288 150 G HA2 0.020 3.980 3.960 -0.000 0.000 0.227 150 G HA3 0.020 3.980 3.960 -0.000 0.000 0.227 150 G C -1.015 173.351 174.900 -0.889 0.000 1.339 150 G CA -0.339 44.087 45.100 -1.123 0.000 1.057 150 G HN 0.127 nan 8.290 nan 0.000 0.470 151 V N 0.362 119.883 119.914 -0.655 0.000 2.637 151 V HA 0.432 4.552 4.120 -0.000 0.000 0.296 151 V C 0.620 176.587 176.094 -0.212 0.000 1.046 151 V CA -0.059 62.016 62.300 -0.375 0.000 1.066 151 V CB 0.417 32.099 31.823 -0.235 0.000 0.968 151 V HN 0.877 nan 8.190 nan 0.000 0.483 152 C N 3.724 122.942 119.300 -0.137 0.000 2.667 152 C HA 0.978 5.438 4.460 -0.000 0.000 0.323 152 C C 0.452 175.425 174.990 -0.029 0.000 1.214 152 C CA -0.614 58.375 59.018 -0.048 0.000 1.721 152 C CB 1.291 29.064 27.740 0.056 0.000 2.275 152 C HN 1.066 nan 8.230 nan 0.000 0.491 153 A N 0.779 123.599 122.820 -0.001 0.000 2.527 153 A HA 1.009 5.329 4.320 -0.000 0.000 0.293 153 A C -1.132 176.478 177.584 0.044 0.000 1.117 153 A CA -0.301 51.743 52.037 0.012 0.000 0.723 153 A CB 1.359 20.360 19.000 0.002 0.000 1.313 153 A HN 1.759 nan 8.150 nan 0.000 0.411 154 A N 0.587 123.439 122.820 0.053 0.000 2.488 154 A HA 0.719 5.039 4.320 -0.000 0.000 0.298 154 A C -1.262 176.376 177.584 0.089 0.000 1.044 154 A CA -0.262 51.819 52.037 0.074 0.000 0.693 154 A CB 0.767 19.804 19.000 0.062 0.000 1.272 154 A HN 0.748 nan 8.150 nan 0.000 0.402 155 I N 2.169 122.823 120.570 0.139 0.000 2.378 155 I HA 0.571 4.741 4.170 -0.000 0.000 0.291 155 I C 0.446 176.614 176.117 0.084 0.000 0.992 155 I CA -0.156 61.252 61.300 0.180 0.000 1.154 155 I CB 2.409 40.621 38.000 0.354 0.000 1.315 155 I HN 0.769 nan 8.210 nan 0.000 0.448 156 T N 3.932 118.516 114.554 0.051 0.000 2.907 156 T HA 0.732 5.082 4.350 -0.000 0.000 0.292 156 T C -2.850 171.848 174.700 -0.002 0.000 1.043 156 T CA -1.992 60.094 62.100 -0.023 0.000 1.003 156 T CB 2.476 71.345 68.868 0.001 0.000 1.084 156 T HN 0.226 nan 8.240 nan 0.000 0.483 157 P HA 0.376 nan 4.420 nan 0.000 0.304 157 P C 0.651 177.955 177.300 0.006 0.000 1.310 157 P CA -0.864 62.196 63.100 -0.066 0.000 0.796 157 P CB 0.995 32.537 31.700 -0.264 0.000 1.297 158 W N 0.548 121.882 121.300 0.057 0.000 3.077 158 W HA 0.044 4.704 4.660 -0.000 0.000 0.266 158 W C 0.656 177.201 176.519 0.044 0.000 1.300 158 W CA 0.401 57.775 57.345 0.049 0.000 1.586 158 W CB -1.603 27.877 29.460 0.033 0.000 1.103 158 W HN 0.214 nan 8.180 nan 0.000 0.652 159 N N 1.325 119.782 118.700 -0.405 0.000 2.376 159 N HA -0.104 4.636 4.740 -0.000 0.000 0.177 159 N C -0.136 175.213 175.510 -0.267 0.000 1.024 159 N CA 0.519 53.344 53.050 -0.375 0.000 0.893 159 N CB -1.091 37.004 38.487 -0.654 0.000 0.980 159 N HN 0.052 nan 8.380 nan 0.000 0.439 160 F N 0.119 120.021 119.950 -0.080 0.000 2.584 160 F HA 0.431 4.958 4.527 -0.000 0.000 0.328 160 F C -1.787 174.031 175.800 0.030 0.000 1.407 160 F CA -2.114 55.887 58.000 0.002 0.000 1.145 160 F CB 2.061 41.062 39.000 0.003 0.000 1.440 160 F HN -0.136 nan 8.300 nan 0.000 0.580 161 P HA -0.190 nan 4.420 nan 0.000 0.219 161 P C 1.204 178.592 177.300 0.146 0.000 1.146 161 P CA 1.426 64.611 63.100 0.142 0.000 0.808 161 P CB 0.399 32.184 31.700 0.141 0.000 0.779 162 A N -0.199 122.723 122.820 0.170 0.000 1.919 162 A HA 0.336 4.656 4.320 -0.000 0.000 0.211 162 A C 2.313 179.982 177.584 0.142 0.000 1.310 162 A CA 0.987 53.119 52.037 0.158 0.000 0.651 162 A CB -1.383 17.713 19.000 0.161 0.000 0.996 162 A HN 0.102 nan 8.150 nan 0.000 0.479 163 A N -0.484 122.464 122.820 0.213 0.000 1.948 163 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 163 A C 2.161 179.710 177.584 -0.058 0.000 1.177 163 A CA 2.166 54.287 52.037 0.140 0.000 0.636 163 A CB -0.619 18.601 19.000 0.367 0.000 0.815 163 A HN 0.434 nan 8.150 nan 0.000 0.449 164 M N -1.131 118.467 119.600 -0.003 0.000 2.108 164 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 164 M C 2.096 178.345 176.300 -0.085 0.000 1.066 164 M CA 1.367 56.612 55.300 -0.090 0.000 1.107 164 M CB -1.272 31.313 32.600 -0.026 0.000 1.356 164 M HN 0.369 nan 8.290 nan 0.000 0.406 165 I N 0.642 121.210 120.570 -0.002 0.000 2.142 165 I HA -0.193 3.977 4.170 -0.000 0.000 0.240 165 I C 2.591 178.716 176.117 0.014 0.000 1.078 165 I CA 1.610 62.933 61.300 0.039 0.000 1.343 165 I CB -0.849 37.222 38.000 0.118 0.000 1.046 165 I HN 0.231 nan 8.210 nan 0.000 0.405 166 A N -0.366 122.435 122.820 -0.031 0.000 2.019 166 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 166 A C 2.448 179.931 177.584 -0.168 0.000 1.164 166 A CA 1.555 53.534 52.037 -0.098 0.000 0.644 166 A CB -0.669 18.263 19.000 -0.114 0.000 0.805 166 A HN 0.363 nan 8.150 nan 0.000 0.449 167 R N -0.925 119.363 120.500 -0.355 0.000 2.275 167 R HA 0.044 4.384 4.340 -0.000 0.000 0.199 167 R C 1.411 177.474 176.300 -0.394 0.000 0.989 167 R CA 1.030 56.747 56.100 -0.638 0.000 1.016 167 R CB 0.029 29.788 30.300 -0.901 0.000 0.918 167 R HN 0.496 nan 8.270 nan 0.000 0.473 168 K N -1.459 118.799 120.400 -0.236 0.000 2.403 168 K HA 0.115 4.435 4.320 -0.000 0.000 0.199 168 K C 1.670 178.164 176.600 -0.176 0.000 1.199 168 K CA 0.195 56.393 56.287 -0.149 0.000 0.924 168 K CB 0.605 33.081 32.500 -0.041 0.000 1.137 168 K HN -0.080 nan 8.250 nan 0.000 0.510 169 V N 1.517 121.382 119.914 -0.081 0.000 2.379 169 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 169 V C 2.338 178.407 176.094 -0.042 0.000 1.044 169 V CA 2.283 64.575 62.300 -0.013 0.000 1.036 169 V CB -0.852 31.078 31.823 0.177 0.000 0.664 169 V HN 0.455 nan 8.190 nan 0.000 0.453 170 G N 1.505 110.286 108.800 -0.031 0.000 2.514 170 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 170 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 170 G C 0.070 174.822 174.900 -0.245 0.000 1.198 170 G CA 1.366 46.467 45.100 0.001 0.000 0.780 170 G HN 0.553 nan 8.290 nan 0.000 0.565 171 P HA -0.041 nan 4.420 nan 0.000 0.217 171 P C 2.085 178.900 177.300 -0.808 0.000 1.150 171 P CA 2.030 64.497 63.100 -1.055 0.000 0.832 171 P CB -0.202 30.593 31.700 -1.507 0.000 0.787 172 A N 0.088 122.288 122.820 -1.033 0.000 1.851 172 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 172 A C 2.260 179.783 177.584 -0.101 0.000 1.195 172 A CA 1.689 53.359 52.037 -0.612 0.000 0.622 172 A CB -1.674 17.104 19.000 -0.370 0.000 0.831 172 A HN 0.067 nan 8.150 nan 0.000 0.444 173 L N -0.313 120.902 121.223 -0.013 0.000 2.042 173 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 173 L C 2.994 180.143 176.870 0.464 0.000 1.076 173 L CA 1.971 56.975 54.840 0.274 0.000 0.749 173 L CB -0.970 41.200 42.059 0.186 0.000 0.893 173 L HN 0.415 nan 8.230 nan 0.000 0.432 174 A N -0.945 122.019 122.820 0.239 0.000 1.972 174 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 174 A C 2.374 180.048 177.584 0.150 0.000 1.169 174 A CA 1.626 53.781 52.037 0.197 0.000 0.635 174 A CB -0.757 18.355 19.000 0.186 0.000 0.810 174 A HN 0.386 nan 8.150 nan 0.000 0.446 175 A N -1.849 121.059 122.820 0.148 0.000 2.119 175 A HA 0.406 4.726 4.320 -0.000 0.000 0.216 175 A C 1.646 179.358 177.584 0.213 0.000 1.152 175 A CA 1.258 53.393 52.037 0.163 0.000 0.708 175 A CB -0.720 18.388 19.000 0.180 0.000 0.805 175 A HN 1.940 nan 8.150 nan 0.000 0.460 176 G N -1.903 107.085 108.800 0.314 0.000 2.288 176 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.205 176 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.205 176 G C -0.259 175.039 174.900 0.665 0.000 1.071 176 G CA -0.239 45.119 45.100 0.430 0.000 0.788 176 G HN 0.647 nan 8.290 nan 0.000 0.491 177 C N 1.591 121.175 119.300 0.474 0.000 2.408 177 C HA 0.769 5.229 4.460 -0.000 0.000 0.321 177 C C -1.627 173.362 174.990 -0.002 0.000 1.245 177 C CA -1.472 57.633 59.018 0.144 0.000 1.523 177 C CB 2.167 29.942 27.740 0.058 0.000 2.178 177 C HN 0.475 nan 8.230 nan 0.000 0.488 178 P HA 0.516 nan 4.420 nan 0.000 0.277 178 P C -0.989 176.216 177.300 -0.159 0.000 1.240 178 P CA -0.083 62.895 63.100 -0.204 0.000 0.798 178 P CB 1.410 33.017 31.700 -0.154 0.000 0.979 179 I N 0.992 121.473 120.570 -0.149 0.000 2.686 179 I HA 0.344 4.514 4.170 -0.000 0.000 0.295 179 I C -1.343 174.729 176.117 -0.075 0.000 1.114 179 I CA -1.118 60.129 61.300 -0.089 0.000 1.038 179 I CB 2.300 40.262 38.000 -0.062 0.000 1.238 179 I HN -0.019 nan 8.210 nan 0.000 0.420 180 V N 7.211 127.098 119.914 -0.045 0.000 2.448 180 V HA 0.506 4.626 4.120 -0.000 0.000 0.295 180 V C -0.544 175.550 176.094 -0.000 0.000 1.025 180 V CA -0.637 61.645 62.300 -0.031 0.000 0.859 180 V CB 1.631 33.434 31.823 -0.033 0.000 0.988 180 V HN 0.421 nan 8.190 nan 0.000 0.431 181 V N 4.669 124.590 119.914 0.011 0.000 2.495 181 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 181 V C -0.026 176.097 176.094 0.048 0.000 1.031 181 V CA -0.838 61.483 62.300 0.035 0.000 0.871 181 V CB 1.981 33.828 31.823 0.041 0.000 0.988 181 V HN 0.774 nan 8.190 nan 0.000 0.432 182 K N 7.301 127.739 120.400 0.064 0.000 2.404 182 K HA 0.447 4.767 4.320 -0.000 0.000 0.257 182 K C -2.710 173.946 176.600 0.092 0.000 1.026 182 K CA -1.884 54.449 56.287 0.077 0.000 0.951 182 K CB 2.131 34.678 32.500 0.078 0.000 1.203 182 K HN 0.376 nan 8.250 nan 0.000 0.446 183 P HA 0.106 nan 4.420 nan 0.000 0.275 183 P C -0.708 176.664 177.300 0.121 0.000 1.266 183 P CA -0.486 62.674 63.100 0.101 0.000 0.793 183 P CB 0.547 32.304 31.700 0.095 0.000 1.074 184 A N -0.080 122.825 122.820 0.141 0.000 2.409 184 A HA 0.418 4.738 4.320 -0.000 0.000 0.262 184 A C 1.592 179.270 177.584 0.156 0.000 1.113 184 A CA 0.225 52.367 52.037 0.176 0.000 0.790 184 A CB -0.783 18.382 19.000 0.275 0.000 1.046 184 A HN 0.591 nan 8.150 nan 0.000 0.496 185 E N 1.225 121.502 120.200 0.127 0.000 2.333 185 E HA -0.127 4.223 4.350 -0.000 0.000 0.198 185 E C 1.673 178.386 176.600 0.187 0.000 1.007 185 E CA 1.811 58.303 56.400 0.154 0.000 0.845 185 E CB -0.670 28.952 29.700 -0.131 0.000 0.766 185 E HN 1.248 nan 8.360 nan 0.000 0.507 186 S N -0.848 114.914 115.700 0.103 0.000 2.548 186 S HA 0.092 4.562 4.470 -0.000 0.000 0.215 186 S C 1.199 175.845 174.600 0.076 0.000 0.976 186 S CA 0.722 58.964 58.200 0.070 0.000 0.908 186 S CB -0.004 63.163 63.200 -0.055 0.000 0.781 186 S HN 0.681 nan 8.310 nan 0.000 0.519 187 T N -1.205 113.402 114.554 0.088 0.000 3.954 187 T HA 0.404 4.754 4.350 -0.000 0.000 0.226 187 T C -2.459 172.256 174.700 0.025 0.000 1.049 187 T CA -0.821 61.328 62.100 0.080 0.000 1.481 187 T CB 1.283 70.256 68.868 0.175 0.000 0.853 187 T HN 0.065 nan 8.240 nan 0.000 0.632 188 P HA 0.185 nan 4.420 nan 0.000 0.235 188 P C 1.069 178.324 177.300 -0.075 0.000 1.177 188 P CA -0.005 63.022 63.100 -0.122 0.000 0.785 188 P CB -0.091 31.475 31.700 -0.224 0.000 0.885 189 F N 1.204 121.178 119.950 0.040 0.000 2.102 189 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 189 F C 2.632 178.460 175.800 0.047 0.000 1.105 189 F CA 1.379 59.381 58.000 0.004 0.000 1.239 189 F CB -1.706 37.270 39.000 -0.041 0.000 0.991 189 F HN -0.090 nan 8.300 nan 0.000 0.474 190 S N -0.101 115.747 115.700 0.248 0.000 2.383 190 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 190 S C 2.365 177.076 174.600 0.185 0.000 1.030 190 S CA 1.012 59.327 58.200 0.192 0.000 1.002 190 S CB -0.736 62.561 63.200 0.163 0.000 0.829 190 S HN 0.371 nan 8.310 nan 0.000 0.467 191 A N 1.285 124.204 122.820 0.165 0.000 1.883 191 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 191 A C 2.083 179.772 177.584 0.175 0.000 1.186 191 A CA 1.345 53.475 52.037 0.155 0.000 0.624 191 A CB -0.676 18.396 19.000 0.120 0.000 0.822 191 A HN 0.480 nan 8.150 nan 0.000 0.444 192 L N -1.077 120.265 121.223 0.200 0.000 2.179 192 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 192 L C 3.025 180.092 176.870 0.329 0.000 1.096 192 L CA 0.726 55.729 54.840 0.273 0.000 0.779 192 L CB -0.494 41.757 42.059 0.321 0.000 0.922 192 L HN 0.408 nan 8.230 nan 0.000 0.443 193 A N 0.155 123.134 122.820 0.265 0.000 1.877 193 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 193 A C 2.355 180.122 177.584 0.305 0.000 1.186 193 A CA 1.635 53.835 52.037 0.272 0.000 0.620 193 A CB -0.381 18.738 19.000 0.197 0.000 0.822 193 A HN 0.262 nan 8.150 nan 0.000 0.443 194 M N -0.528 119.243 119.600 0.285 0.000 2.132 194 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 194 M C 2.547 179.046 176.300 0.332 0.000 1.065 194 M CA 1.564 57.097 55.300 0.388 0.000 1.122 194 M CB -1.380 31.446 32.600 0.378 0.000 1.365 194 M HN 0.500 nan 8.290 nan 0.000 0.411 195 A N 0.216 123.125 122.820 0.149 0.000 1.877 195 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 195 A C 2.058 179.507 177.584 -0.225 0.000 1.186 195 A CA 1.422 53.362 52.037 -0.160 0.000 0.620 195 A CB -1.056 17.790 19.000 -0.256 0.000 0.822 195 A HN 0.419 nan 8.150 nan 0.000 0.443 196 F N 0.684 120.618 119.950 -0.026 0.000 2.095 196 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 196 F C 1.894 177.706 175.800 0.020 0.000 1.104 196 F CA 1.524 59.601 58.000 0.128 0.000 1.232 196 F CB -0.522 38.601 39.000 0.206 0.000 0.987 196 F HN 0.136 nan 8.300 nan 0.000 0.475 197 L N -0.427 120.767 121.223 -0.049 0.000 2.201 197 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 197 L C 2.661 179.417 176.870 -0.190 0.000 1.105 197 L CA 0.920 55.708 54.840 -0.086 0.000 0.775 197 L CB -1.047 41.141 42.059 0.215 0.000 0.913 197 L HN 0.239 nan 8.230 nan 0.000 0.440 198 A N -0.125 122.382 122.820 -0.523 0.000 1.897 198 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 198 A C 2.267 179.544 177.584 -0.513 0.000 1.181 198 A CA 1.541 52.946 52.037 -1.053 0.000 0.620 198 A CB -0.432 17.676 19.000 -1.487 0.000 0.821 198 A HN 0.452 nan 8.150 nan 0.000 0.443 199 E N -0.235 119.748 120.200 -0.362 0.000 2.097 199 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 199 E C 2.260 178.793 176.600 -0.111 0.000 1.000 199 E CA 1.428 57.743 56.400 -0.141 0.000 0.804 199 E CB -0.165 29.550 29.700 0.025 0.000 0.740 199 E HN 0.581 nan 8.360 nan 0.000 0.454 200 R N -0.340 120.039 120.500 -0.201 0.000 2.115 200 R HA -0.026 4.314 4.340 -0.000 0.000 0.226 200 R C 2.125 178.380 176.300 -0.076 0.000 1.100 200 R CA 0.976 56.979 56.100 -0.162 0.000 0.980 200 R CB -0.155 29.975 30.300 -0.283 0.000 0.875 200 R HN 0.191 nan 8.270 nan 0.000 0.445 201 A N -0.366 122.412 122.820 -0.070 0.000 2.168 201 A HA 0.097 4.417 4.320 -0.000 0.000 0.215 201 A C 1.254 178.855 177.584 0.028 0.000 1.152 201 A CA 1.148 53.194 52.037 0.016 0.000 0.716 201 A CB -0.142 18.915 19.000 0.094 0.000 0.794 201 A HN 0.555 nan 8.150 nan 0.000 0.465 202 G N -1.925 106.871 108.800 -0.007 0.000 2.141 202 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.164 202 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.164 202 G C -0.001 174.926 174.900 0.046 0.000 1.009 202 G CA -0.146 44.974 45.100 0.034 0.000 0.677 202 G HN 0.678 nan 8.290 nan 0.000 0.508 203 V N 2.204 122.091 119.914 -0.044 0.000 2.450 203 V HA 0.268 4.388 4.120 -0.000 0.000 0.281 203 V C -0.975 175.073 176.094 -0.077 0.000 1.019 203 V CA -0.658 61.573 62.300 -0.115 0.000 1.062 203 V CB 0.712 32.348 31.823 -0.312 0.000 0.979 203 V HN 0.247 nan 8.190 nan 0.000 0.477 204 P HA 0.206 nan 4.420 nan 0.000 0.267 204 P C 0.042 177.303 177.300 -0.065 0.000 1.200 204 P CA -0.021 63.084 63.100 0.008 0.000 0.772 204 P CB 0.299 32.057 31.700 0.096 0.000 0.855 205 K N 1.571 121.944 120.400 -0.044 0.000 2.484 205 K HA 0.381 4.701 4.320 -0.000 0.000 0.280 205 K C 1.404 177.937 176.600 -0.112 0.000 1.013 205 K CA 0.325 56.553 56.287 -0.099 0.000 1.029 205 K CB -1.212 31.235 32.500 -0.088 0.000 0.902 205 K HN 0.926 nan 8.250 nan 0.000 0.481 206 G N 0.053 108.752 108.800 -0.168 0.000 2.308 206 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.221 206 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.221 206 G C 1.437 176.238 174.900 -0.164 0.000 1.032 206 G CA 0.607 45.621 45.100 -0.143 0.000 0.623 206 G HN 1.144 nan 8.290 nan 0.000 0.506 207 V N 0.524 120.303 119.914 -0.226 0.000 2.427 207 V HA 0.273 4.393 4.120 -0.000 0.000 0.248 207 V C 1.208 177.104 176.094 -0.331 0.000 1.051 207 V CA 1.962 64.037 62.300 -0.374 0.000 1.048 207 V CB -0.129 31.255 31.823 -0.733 0.000 0.666 207 V HN 0.535 nan 8.190 nan 0.000 0.456 208 L N -0.009 121.064 121.223 -0.251 0.000 2.356 208 L HA 0.640 4.980 4.340 -0.000 0.000 0.277 208 L C -0.512 176.317 176.870 -0.068 0.000 0.996 208 L CA 0.274 55.017 54.840 -0.162 0.000 0.822 208 L CB 1.886 43.829 42.059 -0.194 0.000 1.256 208 L HN 0.023 nan 8.230 nan 0.000 0.413 209 S N 3.424 119.085 115.700 -0.065 0.000 2.526 209 S HA 0.759 5.229 4.470 -0.000 0.000 0.293 209 S C -1.040 173.562 174.600 0.002 0.000 1.092 209 S CA -0.625 57.544 58.200 -0.050 0.000 0.980 209 S CB 2.114 65.245 63.200 -0.115 0.000 1.048 209 S HN 0.355 nan 8.310 nan 0.000 0.483 210 V N 3.324 123.258 119.914 0.034 0.000 2.327 210 V HA 0.282 4.402 4.120 -0.000 0.000 0.272 210 V C 0.101 176.221 176.094 0.042 0.000 1.019 210 V CA -0.737 61.588 62.300 0.042 0.000 0.814 210 V CB 0.939 32.796 31.823 0.056 0.000 1.040 210 V HN 0.808 nan 8.190 nan 0.000 0.440 211 V N 3.135 123.068 119.914 0.032 0.000 3.051 211 V HA 0.616 4.736 4.120 -0.000 0.000 0.306 211 V C -0.132 176.005 176.094 0.070 0.000 1.083 211 V CA -0.151 62.173 62.300 0.041 0.000 1.104 211 V CB 1.211 33.052 31.823 0.030 0.000 1.027 211 V HN 0.582 nan 8.190 nan 0.000 0.483 212 I N 2.264 122.886 120.570 0.087 0.000 2.680 212 I HA 0.765 4.935 4.170 -0.000 0.000 0.291 212 I C 0.369 176.604 176.117 0.197 0.000 1.244 212 I CA 0.275 61.656 61.300 0.135 0.000 1.042 212 I CB 1.873 39.933 38.000 0.101 0.000 1.277 212 I HN 1.199 nan 8.210 nan 0.000 0.423 213 G N 4.375 113.336 108.800 0.268 0.000 2.470 213 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.145 213 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.145 213 G C -1.604 173.329 174.900 0.055 0.000 1.223 213 G CA -0.702 44.563 45.100 0.275 0.000 1.058 213 G HN 0.539 nan 8.290 nan 0.000 0.469 214 D N 2.264 122.672 120.400 0.013 0.000 2.401 214 D HA 0.374 5.014 4.640 -0.000 0.000 0.254 214 D C -0.313 175.976 176.300 -0.017 0.000 1.192 214 D CA -1.274 52.701 54.000 -0.042 0.000 0.885 214 D CB 1.505 42.291 40.800 -0.023 0.000 1.147 214 D HN 0.037 nan 8.370 nan 0.000 0.478 215 P HA -0.218 nan 4.420 nan 0.000 0.216 215 P C 1.142 178.441 177.300 -0.003 0.000 1.153 215 P CA 2.003 65.104 63.100 0.001 0.000 0.858 215 P CB 0.059 31.759 31.700 0.000 0.000 0.789 216 K N 0.296 120.685 120.400 -0.018 0.000 2.031 216 K HA 0.078 4.398 4.320 -0.000 0.000 0.205 216 K C 2.403 178.993 176.600 -0.016 0.000 1.049 216 K CA 1.703 57.977 56.287 -0.022 0.000 0.939 216 K CB -1.613 30.871 32.500 -0.026 0.000 0.717 216 K HN 0.180 nan 8.250 nan 0.000 0.438 217 A N 0.900 123.713 122.820 -0.010 0.000 1.877 217 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 217 A C 2.480 180.064 177.584 0.000 0.000 1.186 217 A CA 1.698 53.733 52.037 -0.004 0.000 0.620 217 A CB -0.395 18.606 19.000 0.002 0.000 0.822 217 A HN 0.492 nan 8.150 nan 0.000 0.443 218 I N -0.397 120.178 120.570 0.008 0.000 2.202 218 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 218 I C 2.721 178.842 176.117 0.006 0.000 1.091 218 I CA 1.090 62.398 61.300 0.014 0.000 1.368 218 I CB -0.631 37.386 38.000 0.030 0.000 1.058 218 I HN 0.378 nan 8.210 nan 0.000 0.410 219 G N 0.194 108.995 108.800 0.002 0.000 2.442 219 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 219 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 219 G C 1.661 176.546 174.900 -0.024 0.000 1.141 219 G CA 1.521 46.613 45.100 -0.013 0.000 0.763 219 G HN 0.309 nan 8.290 nan 0.000 0.554 220 T N 0.453 114.993 114.554 -0.022 0.000 2.821 220 T HA -0.041 4.309 4.350 -0.000 0.000 0.267 220 T C 2.177 176.866 174.700 -0.018 0.000 1.046 220 T CA 1.507 63.593 62.100 -0.024 0.000 1.139 220 T CB -0.056 68.800 68.868 -0.021 0.000 0.871 220 T HN 0.408 nan 8.240 nan 0.000 0.454 221 E N 1.267 121.459 120.200 -0.013 0.000 2.047 221 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 221 E C 1.975 178.567 176.600 -0.014 0.000 0.987 221 E CA 1.042 57.435 56.400 -0.011 0.000 0.799 221 E CB -0.536 29.160 29.700 -0.007 0.000 0.752 221 E HN 0.505 nan 8.360 nan 0.000 0.449 222 I N 0.581 121.143 120.570 -0.013 0.000 2.142 222 I HA -0.294 3.876 4.170 -0.000 0.000 0.240 222 I C 2.375 178.479 176.117 -0.021 0.000 1.078 222 I CA 1.887 63.178 61.300 -0.015 0.000 1.343 222 I CB -0.623 37.373 38.000 -0.007 0.000 1.046 222 I HN 0.300 nan 8.210 nan 0.000 0.405 223 T N -2.379 112.160 114.554 -0.025 0.000 2.962 223 T HA -0.089 4.261 4.350 -0.000 0.000 0.270 223 T C 1.747 176.431 174.700 -0.027 0.000 1.088 223 T CA 1.206 63.288 62.100 -0.031 0.000 1.127 223 T CB -0.367 68.476 68.868 -0.042 0.000 0.883 223 T HN 0.461 nan 8.240 nan 0.000 0.493 224 S N 0.291 115.977 115.700 -0.023 0.000 2.497 224 S HA 0.160 4.630 4.470 -0.000 0.000 0.218 224 S C 0.836 175.427 174.600 -0.016 0.000 1.023 224 S CA -0.565 57.624 58.200 -0.019 0.000 0.913 224 S CB -0.514 62.676 63.200 -0.017 0.000 0.800 224 S HN 0.409 nan 8.310 nan 0.000 0.505 225 N N 3.750 122.440 118.700 -0.017 0.000 2.475 225 N HA 0.171 4.911 4.740 -0.000 0.000 0.267 225 N C -1.880 173.620 175.510 -0.017 0.000 1.169 225 N CA -1.156 51.885 53.050 -0.016 0.000 0.947 225 N CB 1.490 39.966 38.487 -0.017 0.000 1.061 225 N HN 0.168 nan 8.380 nan 0.000 0.466 226 P HA 0.022 nan 4.420 nan 0.000 0.241 226 P C 1.335 178.628 177.300 -0.012 0.000 1.191 226 P CA 0.589 63.683 63.100 -0.010 0.000 0.771 226 P CB 0.398 32.096 31.700 -0.002 0.000 0.929 227 I N -0.684 119.876 120.570 -0.016 0.000 2.353 227 I HA -0.075 4.095 4.170 -0.000 0.000 0.248 227 I C 0.819 176.906 176.117 -0.051 0.000 1.119 227 I CA 0.529 61.816 61.300 -0.022 0.000 1.417 227 I CB -0.242 37.747 38.000 -0.017 0.000 1.078 227 I HN -0.276 nan 8.210 nan 0.000 0.421 228 V N 2.658 122.542 119.914 -0.050 0.000 2.446 228 V HA 0.031 4.151 4.120 -0.000 0.000 0.276 228 V C 1.240 177.295 176.094 -0.066 0.000 1.030 228 V CA 0.398 62.660 62.300 -0.064 0.000 1.033 228 V CB 0.578 32.373 31.823 -0.046 0.000 0.993 228 V HN 0.310 nan 8.190 nan 0.000 0.477 229 R N 3.110 123.554 120.500 -0.093 0.000 2.265 229 R HA 0.180 4.520 4.340 -0.000 0.000 0.194 229 R C 0.462 176.716 176.300 -0.076 0.000 0.931 229 R CA 0.203 56.253 56.100 -0.084 0.000 1.032 229 R CB 0.436 30.669 30.300 -0.112 0.000 0.980 229 R HN 0.783 nan 8.270 nan 0.000 0.497 230 K N 0.094 120.445 120.400 -0.082 0.000 2.551 230 K HA 0.388 4.708 4.320 -0.000 0.000 0.269 230 K C -1.871 174.691 176.600 -0.063 0.000 0.949 230 K CA -0.933 55.303 56.287 -0.085 0.000 0.849 230 K CB 1.884 34.303 32.500 -0.134 0.000 1.411 230 K HN -0.115 nan 8.250 nan 0.000 0.432 231 L N 1.041 122.230 121.223 -0.057 0.000 2.408 231 L HA 0.604 4.944 4.340 -0.000 0.000 0.268 231 L C -1.516 175.353 176.870 -0.002 0.000 0.986 231 L CA -0.017 54.814 54.840 -0.014 0.000 0.820 231 L CB 2.369 44.428 42.059 -0.001 0.000 1.303 231 L HN 0.798 nan 8.230 nan 0.000 0.411 232 S N 4.313 120.038 115.700 0.042 0.000 2.519 232 S HA 0.744 5.214 4.470 -0.000 0.000 0.309 232 S C -1.382 173.311 174.600 0.155 0.000 1.100 232 S CA -0.398 57.842 58.200 0.066 0.000 1.059 232 S CB 0.514 63.744 63.200 0.051 0.000 1.008 232 S HN 0.523 nan 8.310 nan 0.000 0.478 233 F N 3.570 123.523 119.950 0.005 0.000 2.529 233 F HA 0.657 5.184 4.527 -0.000 0.000 0.320 233 F C -0.635 175.182 175.800 0.028 0.000 1.118 233 F CA -0.201 57.809 58.000 0.017 0.000 0.915 233 F CB 2.020 41.030 39.000 0.016 0.000 1.161 233 F HN 0.424 nan 8.300 nan 0.000 0.445 234 T N 4.871 118.918 114.554 -0.844 0.000 2.809 234 T HA 0.791 5.141 4.350 -0.000 0.000 0.284 234 T C -0.045 173.959 174.700 -1.161 0.000 0.992 234 T CA -0.080 61.565 62.100 -0.758 0.000 0.957 234 T CB 1.159 69.832 68.868 -0.325 0.000 0.942 234 T HN 1.137 nan 8.240 nan 0.000 0.439 235 G N 2.096 110.361 108.800 -0.892 0.000 2.566 235 G HA2 0.390 4.350 3.960 -0.000 0.000 0.138 235 G HA3 0.390 4.350 3.960 -0.000 0.000 0.138 235 G C -0.590 174.349 174.900 0.065 0.000 1.133 235 G CA -0.127 44.729 45.100 -0.406 0.000 1.037 235 G HN 0.942 nan 8.290 nan 0.000 0.491 236 S N -0.087 115.813 115.700 0.334 0.000 2.584 236 S HA 0.505 4.975 4.470 -0.000 0.000 0.273 236 S C 1.473 176.279 174.600 0.342 0.000 1.311 236 S CA 1.047 59.410 58.200 0.271 0.000 1.034 236 S CB 1.341 64.653 63.200 0.186 0.000 0.939 236 S HN 0.941 nan 8.310 nan 0.000 0.513 237 T N 3.202 117.919 114.554 0.272 0.000 2.652 237 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 237 T C 2.200 177.012 174.700 0.187 0.000 1.039 237 T CA 1.738 64.004 62.100 0.276 0.000 1.153 237 T CB -1.031 68.073 68.868 0.393 0.000 0.863 237 T HN 0.893 nan 8.240 nan 0.000 0.428 238 A N 1.006 123.918 122.820 0.153 0.000 1.908 238 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 238 A C 2.643 180.238 177.584 0.019 0.000 1.181 238 A CA 1.601 53.687 52.037 0.081 0.000 0.627 238 A CB -1.112 17.933 19.000 0.074 0.000 0.818 238 A HN 0.364 nan 8.150 nan 0.000 0.445 239 V N -0.165 119.758 119.914 0.014 0.000 2.358 239 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 239 V C 2.834 178.722 176.094 -0.343 0.000 1.047 239 V CA 1.908 64.123 62.300 -0.142 0.000 1.035 239 V CB -1.473 30.282 31.823 -0.112 0.000 0.658 239 V HN 0.617 nan 8.190 nan 0.000 0.452 240 G N -0.201 108.443 108.800 -0.261 0.000 2.440 240 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 240 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 240 G C 1.740 176.576 174.900 -0.108 0.000 1.154 240 G CA 0.817 45.782 45.100 -0.224 0.000 0.767 240 G HN 0.431 nan 8.290 nan 0.000 0.552 241 R N -0.253 120.225 120.500 -0.038 0.000 2.091 241 R HA 0.021 4.361 4.340 -0.000 0.000 0.238 241 R C 2.636 178.899 176.300 -0.061 0.000 1.136 241 R CA 1.136 57.218 56.100 -0.030 0.000 0.959 241 R CB -0.450 29.848 30.300 -0.004 0.000 0.856 241 R HN 0.346 nan 8.270 nan 0.000 0.437 242 L N 0.423 121.593 121.223 -0.088 0.000 2.027 242 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 242 L C 2.399 179.201 176.870 -0.113 0.000 1.074 242 L CA 1.123 55.908 54.840 -0.091 0.000 0.745 242 L CB -0.505 41.498 42.059 -0.093 0.000 0.898 242 L HN 0.205 nan 8.230 nan 0.000 0.433 243 L N -0.707 120.407 121.223 -0.181 0.000 2.042 243 L HA -0.290 4.050 4.340 -0.000 0.000 0.210 243 L C 2.698 179.504 176.870 -0.107 0.000 1.076 243 L CA 1.506 56.238 54.840 -0.180 0.000 0.749 243 L CB -0.403 41.470 42.059 -0.310 0.000 0.893 243 L HN 0.382 nan 8.230 nan 0.000 0.432 244 M N -0.411 119.136 119.600 -0.088 0.000 2.117 244 M HA -0.201 4.279 4.480 -0.000 0.000 0.262 244 M C 2.368 178.641 176.300 -0.045 0.000 1.065 244 M CA 1.999 57.268 55.300 -0.052 0.000 1.114 244 M CB -0.083 32.496 32.600 -0.035 0.000 1.361 244 M HN 0.250 nan 8.290 nan 0.000 0.408 245 A N 0.162 122.953 122.820 -0.048 0.000 1.858 245 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 245 A C 1.910 179.471 177.584 -0.039 0.000 1.190 245 A CA 1.923 53.937 52.037 -0.039 0.000 0.617 245 A CB -0.932 18.045 19.000 -0.038 0.000 0.827 245 A HN 0.719 nan 8.150 nan 0.000 0.443 246 Q N -0.108 119.663 119.800 -0.047 0.000 2.226 246 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 246 Q C 2.100 178.078 176.000 -0.038 0.000 0.975 246 Q CA 1.497 57.275 55.803 -0.043 0.000 0.866 246 Q CB -0.163 28.544 28.738 -0.051 0.000 0.915 246 Q HN 0.622 nan 8.270 nan 0.000 0.440 247 S N 0.445 116.121 115.700 -0.040 0.000 2.496 247 S HA 0.032 4.502 4.470 -0.000 0.000 0.224 247 S C 1.950 176.534 174.600 -0.027 0.000 0.996 247 S CA 0.454 58.634 58.200 -0.034 0.000 0.927 247 S CB 0.002 63.181 63.200 -0.036 0.000 0.774 247 S HN 0.465 nan 8.310 nan 0.000 0.524 248 A N 2.945 125.749 122.820 -0.026 0.000 1.884 248 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 248 A C -0.024 177.550 177.584 -0.017 0.000 1.197 248 A CA 1.676 53.701 52.037 -0.021 0.000 0.637 248 A CB -2.022 16.966 19.000 -0.020 0.000 0.827 248 A HN 0.365 nan 8.150 nan 0.000 0.450 249 P HA -0.148 nan 4.420 nan 0.000 0.217 249 P C 1.272 178.565 177.300 -0.011 0.000 1.151 249 P CA 2.149 65.241 63.100 -0.013 0.000 0.849 249 P CB -0.250 31.442 31.700 -0.014 0.000 0.787 250 T N -5.844 108.702 114.554 -0.014 0.000 3.069 250 T HA 0.214 4.564 4.350 -0.000 0.000 0.252 250 T C 0.866 175.558 174.700 -0.013 0.000 1.053 250 T CA -0.205 61.888 62.100 -0.012 0.000 0.964 250 T CB -0.447 68.412 68.868 -0.015 0.000 1.005 250 T HN -0.082 nan 8.240 nan 0.000 0.532 251 V N 1.381 121.286 119.914 -0.014 0.000 4.868 251 V HA -0.235 3.885 4.120 -0.000 0.000 0.274 251 V C 0.274 176.358 176.094 -0.018 0.000 0.450 251 V CA 0.683 62.975 62.300 -0.014 0.000 0.773 251 V CB -1.644 30.174 31.823 -0.007 0.000 0.704 251 V HN 0.674 nan 8.190 nan 0.000 1.326 252 K N 0.462 120.848 120.400 -0.024 0.000 2.414 252 K HA 0.149 4.469 4.320 -0.000 0.000 0.272 252 K C 0.293 176.872 176.600 -0.035 0.000 0.993 252 K CA -0.254 56.014 56.287 -0.031 0.000 0.964 252 K CB 0.419 32.898 32.500 -0.035 0.000 0.925 252 K HN 0.231 nan 8.250 nan 0.000 0.487 253 K N 2.543 122.915 120.400 -0.047 0.000 2.379 253 K HA 0.112 4.432 4.320 -0.000 0.000 0.284 253 K C -1.095 175.463 176.600 -0.071 0.000 1.044 253 K CA -0.094 56.158 56.287 -0.059 0.000 0.974 253 K CB 0.170 32.624 32.500 -0.076 0.000 0.962 253 K HN 0.253 nan 8.250 nan 0.000 0.474 254 L N 3.759 124.948 121.223 -0.056 0.000 2.341 254 L HA 0.468 4.808 4.340 -0.000 0.000 0.278 254 L C -0.447 176.397 176.870 -0.044 0.000 1.005 254 L CA -0.082 54.733 54.840 -0.042 0.000 0.818 254 L CB 1.964 44.012 42.059 -0.017 0.000 1.259 254 L HN 0.650 nan 8.230 nan 0.000 0.418 255 T N 5.020 119.549 114.554 -0.041 0.000 2.797 255 T HA 0.741 5.091 4.350 -0.000 0.000 0.279 255 T C -0.470 174.257 174.700 0.045 0.000 0.991 255 T CA -0.336 61.752 62.100 -0.020 0.000 0.979 255 T CB 0.886 69.716 68.868 -0.064 0.000 0.943 255 T HN 0.277 nan 8.240 nan 0.000 0.444 256 L N 3.445 124.705 121.223 0.062 0.000 2.446 256 L HA 0.426 4.766 4.340 -0.000 0.000 0.268 256 L C -0.219 176.707 176.870 0.093 0.000 0.975 256 L CA -0.819 54.091 54.840 0.117 0.000 0.848 256 L CB 1.738 43.880 42.059 0.139 0.000 1.225 256 L HN 0.485 nan 8.230 nan 0.000 0.410 257 E N 5.597 125.839 120.200 0.069 0.000 2.109 257 E HA 0.580 4.930 4.350 -0.000 0.000 0.278 257 E C -0.621 176.000 176.600 0.036 0.000 0.954 257 E CA -0.278 56.157 56.400 0.059 0.000 0.779 257 E CB 2.405 32.145 29.700 0.067 0.000 1.093 257 E HN 0.477 nan 8.360 nan 0.000 0.401 258 L N 0.315 121.593 121.223 0.092 0.000 2.225 258 L HA 0.586 4.926 4.340 -0.000 0.000 0.257 258 L C 0.995 177.940 176.870 0.124 0.000 1.101 258 L CA -1.414 53.512 54.840 0.144 0.000 1.073 258 L CB 0.516 42.704 42.059 0.216 0.000 1.627 258 L HN 0.484 nan 8.230 nan 0.000 0.518 259 G N -1.133 107.758 108.800 0.152 0.000 2.594 259 G HA2 0.464 4.424 3.960 -0.000 0.000 0.243 259 G HA3 0.464 4.424 3.960 -0.000 0.000 0.243 259 G C -0.260 174.604 174.900 -0.059 0.000 1.229 259 G CA 0.473 45.575 45.100 0.002 0.000 0.843 259 G HN 0.772 nan 8.290 nan 0.000 0.578 260 G N -0.879 107.791 108.800 -0.217 0.000 3.135 260 G HA2 0.477 4.437 3.960 -0.000 0.000 0.278 260 G HA3 0.477 4.437 3.960 -0.000 0.000 0.278 260 G C -0.800 173.976 174.900 -0.207 0.000 1.302 260 G CA -0.502 44.541 45.100 -0.096 0.000 0.880 260 G HN 0.803 nan 8.290 nan 0.000 0.574 261 N N -0.983 117.722 118.700 0.009 0.000 2.820 261 N HA 0.331 5.071 4.740 -0.000 0.000 0.209 261 N C -0.319 175.218 175.510 0.045 0.000 1.406 261 N CA 0.002 53.061 53.050 0.016 0.000 0.916 261 N CB 0.440 39.005 38.487 0.129 0.000 1.532 261 N HN 0.758 nan 8.380 nan 0.000 0.559 262 A N 2.127 124.918 122.820 -0.047 0.000 2.491 262 A HA 0.437 4.757 4.320 -0.000 0.000 0.261 262 A C -2.226 175.278 177.584 -0.134 0.000 1.101 262 A CA -0.611 51.338 52.037 -0.145 0.000 0.772 262 A CB -0.128 18.805 19.000 -0.111 0.000 1.043 262 A HN 0.337 nan 8.150 nan 0.000 0.501 263 P HA 0.296 nan 4.420 nan 0.000 0.290 263 P C -1.048 176.240 177.300 -0.020 0.000 1.276 263 P CA -0.145 62.931 63.100 -0.040 0.000 0.808 263 P CB 0.762 32.504 31.700 0.071 0.000 0.966 264 F N 4.320 124.157 119.950 -0.188 0.000 2.361 264 F HA 0.453 4.980 4.527 -0.000 0.000 0.364 264 F C -0.221 175.599 175.800 0.033 0.000 1.117 264 F CA -0.778 57.137 58.000 -0.142 0.000 1.071 264 F CB 0.496 39.121 39.000 -0.625 0.000 1.188 264 F HN 0.125 nan 8.300 nan 0.000 0.464 265 I N 7.092 127.607 120.570 -0.092 0.000 2.328 265 I HA 0.277 4.447 4.170 -0.000 0.000 0.287 265 I C -0.937 175.172 176.117 -0.013 0.000 1.012 265 I CA -0.711 60.562 61.300 -0.045 0.000 1.195 265 I CB 1.303 39.186 38.000 -0.195 0.000 1.350 265 I HN 0.194 nan 8.210 nan 0.000 0.464 266 V N 7.038 127.008 119.914 0.093 0.000 2.328 266 V HA 0.342 4.462 4.120 -0.000 0.000 0.278 266 V C -0.052 176.135 176.094 0.155 0.000 1.021 266 V CA -0.572 61.774 62.300 0.077 0.000 0.838 266 V CB 0.417 32.118 31.823 -0.203 0.000 0.999 266 V HN 0.355 nan 8.190 nan 0.000 0.447 267 F N 2.402 122.507 119.950 0.258 0.000 2.382 267 F HA 0.218 4.745 4.527 -0.000 0.000 0.331 267 F C 1.701 177.539 175.800 0.063 0.000 1.121 267 F CA -0.013 58.140 58.000 0.255 0.000 1.183 267 F CB 0.725 39.829 39.000 0.173 0.000 1.207 267 F HN 0.639 nan 8.300 nan 0.000 0.555 268 D N 1.305 121.744 120.400 0.065 0.000 2.339 268 D HA -0.308 4.332 4.640 -0.000 0.000 0.189 268 D C 1.405 177.711 176.300 0.009 0.000 1.022 268 D CA 2.319 56.216 54.000 -0.172 0.000 0.884 268 D CB -0.198 40.315 40.800 -0.478 0.000 0.916 268 D HN 0.640 nan 8.370 nan 0.000 0.453 269 D N -0.860 119.589 120.400 0.081 0.000 2.358 269 D HA 0.180 4.820 4.640 -0.000 0.000 0.224 269 D C 0.294 176.662 176.300 0.113 0.000 1.123 269 D CA -0.020 54.024 54.000 0.073 0.000 0.833 269 D CB -0.381 40.443 40.800 0.040 0.000 0.946 269 D HN 0.285 nan 8.370 nan 0.000 0.505 270 A N 0.492 123.411 122.820 0.164 0.000 2.386 270 A HA 0.149 4.469 4.320 -0.000 0.000 0.246 270 A C 0.254 177.943 177.584 0.175 0.000 1.089 270 A CA -0.311 51.849 52.037 0.203 0.000 0.790 270 A CB 0.312 19.465 19.000 0.255 0.000 1.042 270 A HN 0.183 nan 8.150 nan 0.000 0.497 271 D N 1.025 121.553 120.400 0.214 0.000 2.325 271 D HA 0.177 4.817 4.640 -0.000 0.000 0.251 271 D C 0.833 177.246 176.300 0.189 0.000 1.196 271 D CA -0.388 53.723 54.000 0.184 0.000 0.866 271 D CB 0.725 41.639 40.800 0.189 0.000 1.101 271 D HN 0.220 nan 8.370 nan 0.000 0.476 272 L N 4.054 125.370 121.223 0.154 0.000 2.017 272 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 272 L C 1.846 178.812 176.870 0.160 0.000 1.073 272 L CA 1.519 56.465 54.840 0.177 0.000 0.745 272 L CB -0.651 41.506 42.059 0.162 0.000 0.894 272 L HN 0.462 nan 8.230 nan 0.000 0.432 273 D N -0.909 119.560 120.400 0.114 0.000 2.224 273 D HA -0.046 4.594 4.640 -0.000 0.000 0.205 273 D C 2.148 178.504 176.300 0.093 0.000 0.965 273 D CA 1.176 55.224 54.000 0.081 0.000 0.852 273 D CB 0.186 41.021 40.800 0.059 0.000 0.947 273 D HN 0.296 nan 8.370 nan 0.000 0.494 274 A N 0.856 123.758 122.820 0.137 0.000 1.969 274 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 274 A C 2.260 179.909 177.584 0.108 0.000 1.169 274 A CA 1.692 53.849 52.037 0.201 0.000 0.635 274 A CB -0.379 18.803 19.000 0.302 0.000 0.810 274 A HN 0.212 nan 8.150 nan 0.000 0.445 275 A N -0.668 122.113 122.820 -0.065 0.000 1.968 275 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 275 A C 2.168 179.762 177.584 0.017 0.000 1.169 275 A CA 1.497 53.263 52.037 -0.452 0.000 0.638 275 A CB -0.623 18.265 19.000 -0.187 0.000 0.812 275 A HN 0.304 nan 8.150 nan 0.000 0.446 276 V N 0.078 120.060 119.914 0.113 0.000 2.270 276 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 276 V C 3.120 179.201 176.094 -0.022 0.000 1.043 276 V CA 2.498 64.808 62.300 0.017 0.000 1.014 276 V CB -1.195 30.582 31.823 -0.076 0.000 0.645 276 V HN 0.752 nan 8.190 nan 0.000 0.447 277 E N 0.342 120.553 120.200 0.017 0.000 2.160 277 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 277 E C 2.243 178.885 176.600 0.070 0.000 0.991 277 E CA 1.655 58.079 56.400 0.040 0.000 0.810 277 E CB -1.235 28.506 29.700 0.068 0.000 0.742 277 E HN 0.684 nan 8.360 nan 0.000 0.466 278 G N -0.092 108.776 108.800 0.113 0.000 2.430 278 G HA2 0.151 4.111 3.960 -0.000 0.000 0.216 278 G HA3 0.151 4.111 3.960 -0.000 0.000 0.216 278 G C 1.993 176.931 174.900 0.062 0.000 1.146 278 G CA 1.441 46.683 45.100 0.236 0.000 0.793 278 G HN 0.833 nan 8.290 nan 0.000 0.537 279 A N 1.306 123.988 122.820 -0.230 0.000 1.858 279 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 279 A C 2.329 179.841 177.584 -0.119 0.000 1.190 279 A CA 1.296 53.008 52.037 -0.540 0.000 0.617 279 A CB -0.372 18.447 19.000 -0.301 0.000 0.827 279 A HN 0.232 nan 8.150 nan 0.000 0.443 280 I N 0.150 120.716 120.570 -0.007 0.000 2.118 280 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 280 I C 2.928 179.128 176.117 0.137 0.000 1.070 280 I CA 1.769 63.154 61.300 0.142 0.000 1.327 280 I CB -1.565 36.460 38.000 0.041 0.000 1.034 280 I HN 0.385 nan 8.210 nan 0.000 0.405 281 A N 0.418 123.269 122.820 0.052 0.000 1.930 281 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 281 A C 2.437 180.015 177.584 -0.010 0.000 1.175 281 A CA 2.045 54.106 52.037 0.040 0.000 0.627 281 A CB -0.715 18.309 19.000 0.040 0.000 0.815 281 A HN 0.573 nan 8.150 nan 0.000 0.443 282 S N -0.904 114.735 115.700 -0.101 0.000 2.470 282 S HA -0.012 4.458 4.470 -0.000 0.000 0.225 282 S C 1.691 176.195 174.600 -0.161 0.000 1.006 282 S CA 1.311 59.381 58.200 -0.217 0.000 0.934 282 S CB 0.031 62.898 63.200 -0.554 0.000 0.778 282 S HN 0.448 nan 8.310 nan 0.000 0.517 283 K N 0.531 120.840 120.400 -0.151 0.000 2.190 283 K HA 0.279 4.599 4.320 -0.000 0.000 0.202 283 K C 1.164 177.574 176.600 -0.317 0.000 1.045 283 K CA 0.796 56.918 56.287 -0.274 0.000 0.976 283 K CB -0.420 31.839 32.500 -0.401 0.000 0.849 283 K HN 0.402 nan 8.250 nan 0.000 0.468 284 Y N 0.948 121.257 120.300 0.016 0.000 2.497 284 Y HA 0.241 4.791 4.550 -0.000 0.000 0.265 284 Y C 0.200 176.116 175.900 0.028 0.000 1.111 284 Y CA -0.114 58.000 58.100 0.025 0.000 1.288 284 Y CB -0.002 38.463 38.460 0.009 0.000 1.082 284 Y HN -0.032 nan 8.280 nan 0.000 0.536 285 R N 1.309 121.891 120.500 0.135 0.000 2.623 285 R HA 0.012 4.352 4.340 -0.000 0.000 0.271 285 R C 0.344 176.691 176.300 0.078 0.000 1.043 285 R CA 0.294 56.453 56.100 0.098 0.000 1.083 285 R CB -0.045 30.304 30.300 0.081 0.000 0.974 285 R HN 0.186 nan 8.270 nan 0.000 0.436 286 N N 1.889 120.620 118.700 0.052 0.000 2.727 286 N HA -0.337 4.403 4.740 -0.000 0.000 0.249 286 N C -0.682 174.870 175.510 0.070 0.000 1.048 286 N CA 1.358 54.417 53.050 0.015 0.000 0.714 286 N CB -1.431 37.017 38.487 -0.065 0.000 0.959 286 N HN 1.068 nan 8.380 nan 0.000 0.544 287 N N -1.294 117.469 118.700 0.105 0.000 2.678 287 N HA -0.266 4.474 4.740 -0.000 0.000 0.250 287 N C 0.771 176.356 175.510 0.126 0.000 1.136 287 N CA 1.566 54.702 53.050 0.144 0.000 0.757 287 N CB -1.206 37.360 38.487 0.131 0.000 1.135 287 N HN 1.178 nan 8.380 nan 0.000 0.565 288 G N -0.624 108.219 108.800 0.072 0.000 2.157 288 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.248 288 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.248 288 G C 0.004 174.905 174.900 0.001 0.000 0.979 288 G CA 0.477 45.577 45.100 -0.000 0.000 0.650 288 G HN 0.601 nan 8.290 nan 0.000 0.529 289 Q N 1.331 121.177 119.800 0.077 0.000 2.823 289 Q HA 0.352 4.692 4.340 -0.000 0.000 0.370 289 Q C 0.502 176.500 176.000 -0.004 0.000 1.110 289 Q CA 0.617 56.505 55.803 0.142 0.000 0.990 289 Q CB 0.334 29.300 28.738 0.379 0.000 1.383 289 Q HN 0.636 nan 8.270 nan 0.000 0.430 290 T N -4.607 109.909 114.554 -0.063 0.000 2.907 290 T HA 0.208 4.558 4.350 -0.000 0.000 0.292 290 T C 1.085 175.715 174.700 -0.117 0.000 1.043 290 T CA -0.824 61.289 62.100 0.021 0.000 1.003 290 T CB 1.392 70.381 68.868 0.202 0.000 1.084 290 T HN 0.295 nan 8.240 nan 0.000 0.483 291 C N 1.636 120.919 119.300 -0.029 0.000 2.411 291 C HA -0.039 4.421 4.460 -0.000 0.000 0.279 291 C C 2.612 177.574 174.990 -0.047 0.000 1.288 291 C CA 0.862 59.856 59.018 -0.039 0.000 1.764 291 C CB -1.536 26.248 27.740 0.073 0.000 1.974 291 C HN 0.872 nan 8.230 nan 0.000 0.498 292 V N -3.033 116.897 119.914 0.026 0.000 3.621 292 V HA 0.263 4.383 4.120 -0.000 0.000 0.285 292 V C 0.901 177.042 176.094 0.079 0.000 1.346 292 V CA -0.445 61.884 62.300 0.048 0.000 1.104 292 V CB -1.638 30.268 31.823 0.139 0.000 0.913 292 V HN 0.513 nan 8.190 nan 0.000 0.432 293 C N 2.650 121.945 119.300 -0.007 0.000 2.634 293 C HA 0.243 4.703 4.460 -0.000 0.000 0.417 293 C C 1.467 176.445 174.990 -0.020 0.000 1.334 293 C CA 0.567 59.574 59.018 -0.019 0.000 1.829 293 C CB -0.270 27.406 27.740 -0.106 0.000 2.665 293 C HN 0.665 nan 8.230 nan 0.000 0.614 294 T N 4.326 118.874 114.554 -0.010 0.000 2.871 294 T HA -0.041 4.309 4.350 -0.000 0.000 0.296 294 T C 0.949 175.565 174.700 -0.141 0.000 0.998 294 T CA 0.610 62.656 62.100 -0.090 0.000 1.162 294 T CB 0.142 68.789 68.868 -0.369 0.000 0.947 294 T HN 0.796 nan 8.240 nan 0.000 0.536 295 N N 2.349 120.975 118.700 -0.125 0.000 2.332 295 N HA 0.088 4.828 4.740 -0.000 0.000 0.190 295 N C -0.098 175.388 175.510 -0.039 0.000 1.117 295 N CA 0.200 53.202 53.050 -0.080 0.000 0.883 295 N CB 0.604 39.041 38.487 -0.084 0.000 1.089 295 N HN 0.463 nan 8.380 nan 0.000 0.480 296 R N -0.098 120.326 120.500 -0.127 0.000 2.502 296 R HA 0.278 4.618 4.340 -0.000 0.000 0.298 296 R C -1.485 174.655 176.300 -0.267 0.000 1.018 296 R CA -0.562 55.430 56.100 -0.180 0.000 0.899 296 R CB 1.136 31.139 30.300 -0.494 0.000 1.181 296 R HN -0.033 nan 8.270 nan 0.000 0.444 297 F N 2.957 122.884 119.950 -0.038 0.000 2.404 297 F HA 0.409 4.936 4.527 -0.000 0.000 0.345 297 F C -0.091 175.672 175.800 -0.061 0.000 1.110 297 F CA -0.273 57.768 58.000 0.069 0.000 1.130 297 F CB 0.804 39.904 39.000 0.167 0.000 1.129 297 F HN 0.305 nan 8.300 nan 0.000 0.500 298 F N 3.003 123.188 119.950 0.390 0.000 2.426 298 F HA 0.617 5.144 4.527 -0.000 0.000 0.348 298 F C -0.536 175.562 175.800 0.496 0.000 1.124 298 F CA -1.051 57.195 58.000 0.411 0.000 1.008 298 F CB 1.483 40.549 39.000 0.111 0.000 1.139 298 F HN -0.005 nan 8.300 nan 0.000 0.452 299 V N 2.741 123.044 119.914 0.649 0.000 2.656 299 V HA 0.285 4.405 4.120 -0.000 0.000 0.307 299 V C -0.063 175.987 176.094 -0.074 0.000 1.051 299 V CA -0.989 61.492 62.300 0.303 0.000 0.893 299 V CB 1.571 33.486 31.823 0.154 0.000 0.999 299 V HN 0.659 nan 8.190 nan 0.000 0.426 300 H N 2.520 121.240 119.070 -0.583 0.000 2.790 300 H HA 0.119 4.675 4.556 -0.000 0.000 0.358 300 H C 1.137 176.304 175.328 -0.269 0.000 1.103 300 H CA 0.713 56.247 56.048 -0.858 0.000 1.426 300 H CB 1.190 30.607 29.762 -0.574 0.000 1.424 300 H HN 0.844 nan 8.280 nan 0.000 0.599 301 E N 3.531 123.515 120.200 -0.359 0.000 2.086 301 E HA -0.257 4.093 4.350 -0.000 0.000 0.200 301 E C 2.086 178.749 176.600 0.104 0.000 1.012 301 E CA 1.313 57.657 56.400 -0.095 0.000 0.812 301 E CB 0.067 29.671 29.700 -0.161 0.000 0.743 301 E HN 0.608 nan 8.360 nan 0.000 0.453 302 R N 0.202 120.845 120.500 0.238 0.000 2.193 302 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 302 R C 2.070 178.452 176.300 0.137 0.000 1.110 302 R CA 1.436 57.636 56.100 0.167 0.000 0.988 302 R CB 0.055 30.439 30.300 0.139 0.000 0.871 302 R HN 0.241 nan 8.270 nan 0.000 0.458 303 V N -4.602 115.407 119.914 0.158 0.000 3.432 303 V HA 0.102 4.222 4.120 -0.000 0.000 0.298 303 V C 1.355 177.564 176.094 0.193 0.000 1.464 303 V CA -0.447 61.941 62.300 0.146 0.000 1.046 303 V CB -0.577 31.310 31.823 0.105 0.000 0.887 303 V HN 0.061 nan 8.190 nan 0.000 0.441 304 Y N 2.568 122.919 120.300 0.085 0.000 2.030 304 Y HA -0.219 4.331 4.550 -0.000 0.000 0.274 304 Y C 2.278 178.260 175.900 0.137 0.000 1.153 304 Y CA 2.697 60.865 58.100 0.113 0.000 1.115 304 Y CB -0.091 38.399 38.460 0.051 0.000 0.969 304 Y HN 0.286 nan 8.280 nan 0.000 0.488 305 D N -0.230 120.331 120.400 0.270 0.000 2.144 305 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 305 D C 2.225 178.561 176.300 0.060 0.000 0.978 305 D CA 1.389 55.480 54.000 0.152 0.000 0.833 305 D CB -0.639 40.252 40.800 0.152 0.000 0.961 305 D HN 0.484 nan 8.370 nan 0.000 0.470 306 A N 0.272 123.145 122.820 0.088 0.000 1.930 306 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 306 A C 2.053 179.674 177.584 0.061 0.000 1.175 306 A CA 0.887 52.964 52.037 0.067 0.000 0.627 306 A CB -0.843 18.210 19.000 0.087 0.000 0.815 306 A HN 0.257 nan 8.150 nan 0.000 0.443 307 F N 0.797 120.705 119.950 -0.069 0.000 2.206 307 F HA 0.107 4.634 4.527 -0.000 0.000 0.298 307 F C 2.437 178.126 175.800 -0.184 0.000 1.090 307 F CA 0.879 58.815 58.000 -0.108 0.000 1.323 307 F CB -0.385 38.560 39.000 -0.092 0.000 1.028 307 F HN 0.232 nan 8.300 nan 0.000 0.492 308 A N 0.132 122.791 122.820 -0.268 0.000 1.902 308 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 308 A C 1.866 179.254 177.584 -0.327 0.000 1.181 308 A CA 2.143 53.944 52.037 -0.393 0.000 0.623 308 A CB -1.061 17.743 19.000 -0.327 0.000 0.818 308 A HN 0.429 nan 8.150 nan 0.000 0.443 309 D N -0.424 119.851 120.400 -0.209 0.000 2.117 309 D HA -0.078 4.562 4.640 -0.000 0.000 0.198 309 D C 2.021 178.202 176.300 -0.199 0.000 0.982 309 D CA 1.263 55.166 54.000 -0.161 0.000 0.828 309 D CB -0.145 40.601 40.800 -0.090 0.000 0.967 309 D HN 0.437 nan 8.370 nan 0.000 0.464 310 K N -0.077 120.188 120.400 -0.225 0.000 2.026 310 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 310 K C 2.004 178.413 176.600 -0.318 0.000 1.048 310 K CA 0.533 56.686 56.287 -0.224 0.000 0.929 310 K CB -0.268 32.128 32.500 -0.173 0.000 0.713 310 K HN 0.078 nan 8.250 nan 0.000 0.439 311 L N 1.275 122.179 121.223 -0.531 0.000 1.994 311 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 311 L C 2.264 178.920 176.870 -0.357 0.000 1.071 311 L CA 1.942 56.453 54.840 -0.548 0.000 0.745 311 L CB -0.843 40.692 42.059 -0.874 0.000 0.892 311 L HN 0.138 nan 8.230 nan 0.000 0.431 312 A N -0.536 122.092 122.820 -0.320 0.000 1.986 312 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 312 A C 2.417 179.892 177.584 -0.182 0.000 1.171 312 A CA 2.151 54.055 52.037 -0.221 0.000 0.640 312 A CB -1.192 17.699 19.000 -0.181 0.000 0.811 312 A HN 0.635 nan 8.150 nan 0.000 0.451 313 A N -0.217 122.497 122.820 -0.177 0.000 1.841 313 A HA 0.201 4.521 4.320 -0.000 0.000 0.214 313 A C 2.557 180.050 177.584 -0.152 0.000 1.195 313 A CA 2.087 54.039 52.037 -0.142 0.000 0.611 313 A CB -1.214 17.714 19.000 -0.120 0.000 0.835 313 A HN 1.159 nan 8.150 nan 0.000 0.443 314 A N -0.582 122.133 122.820 -0.174 0.000 1.940 314 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 314 A C 2.182 179.636 177.584 -0.217 0.000 1.176 314 A CA 1.951 53.885 52.037 -0.171 0.000 0.631 314 A CB -0.919 17.979 19.000 -0.169 0.000 0.814 314 A HN 0.443 nan 8.150 nan 0.000 0.446 315 V N 0.776 120.529 119.914 -0.269 0.000 2.548 315 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 315 V C 2.911 178.840 176.094 -0.275 0.000 1.055 315 V CA 2.149 64.221 62.300 -0.380 0.000 1.065 315 V CB -0.720 30.883 31.823 -0.367 0.000 0.681 315 V HN 0.825 nan 8.190 nan 0.000 0.462 316 S N 0.946 116.533 115.700 -0.187 0.000 2.406 316 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 316 S C 1.963 176.493 174.600 -0.115 0.000 1.020 316 S CA 1.219 59.339 58.200 -0.133 0.000 0.965 316 S CB -0.471 62.665 63.200 -0.107 0.000 0.798 316 S HN 0.585 nan 8.310 nan 0.000 0.488 317 K N 1.112 121.440 120.400 -0.120 0.000 2.551 317 K HA 0.477 4.797 4.320 -0.000 0.000 0.192 317 K C 0.600 177.142 176.600 -0.097 0.000 1.027 317 K CA 0.329 56.559 56.287 -0.095 0.000 1.059 317 K CB -1.060 31.389 32.500 -0.085 0.000 0.831 317 K HN 0.619 nan 8.250 nan 0.000 0.508 318 L N 0.343 121.490 121.223 -0.126 0.000 2.399 318 L HA 0.376 4.716 4.340 -0.000 0.000 0.266 318 L C 0.459 177.284 176.870 -0.076 0.000 1.114 318 L CA -0.776 53.995 54.840 -0.114 0.000 0.804 318 L CB 1.647 43.598 42.059 -0.181 0.000 1.146 318 L HN 0.126 nan 8.230 nan 0.000 0.451 319 K N 1.447 121.815 120.400 -0.053 0.000 2.358 319 K HA 0.475 4.795 4.320 -0.000 0.000 0.260 319 K C -1.215 175.358 176.600 -0.045 0.000 0.956 319 K CA -0.617 55.644 56.287 -0.043 0.000 0.834 319 K CB 1.836 34.314 32.500 -0.037 0.000 1.102 319 K HN 0.316 nan 8.250 nan 0.000 0.431 320 V N 2.395 122.258 119.914 -0.085 0.000 2.607 320 V HA 0.704 4.824 4.120 -0.000 0.000 0.289 320 V C 0.722 176.672 176.094 -0.241 0.000 1.053 320 V CA -0.237 61.970 62.300 -0.156 0.000 0.996 320 V CB 1.095 32.684 31.823 -0.390 0.000 0.995 320 V HN 1.020 nan 8.190 nan 0.000 0.476 321 G N 1.953 110.681 108.800 -0.120 0.000 2.328 321 G HA2 0.591 4.551 3.960 -0.000 0.000 0.295 321 G HA3 0.591 4.551 3.960 -0.000 0.000 0.295 321 G C -0.710 174.325 174.900 0.224 0.000 1.413 321 G CA -0.452 44.550 45.100 -0.163 0.000 0.817 321 G HN 0.899 nan 8.290 nan 0.000 0.546 322 R N -0.498 120.117 120.500 0.192 0.000 2.623 322 R HA 0.575 4.915 4.340 -0.000 0.000 0.271 322 R C 1.804 178.193 176.300 0.148 0.000 1.043 322 R CA 1.192 57.469 56.100 0.295 0.000 1.083 322 R CB -0.150 30.263 30.300 0.190 0.000 0.974 322 R HN 2.284 nan 8.270 nan 0.000 0.436 323 G N 0.253 109.124 108.800 0.118 0.000 2.469 323 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.220 323 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.220 323 G C 1.733 176.662 174.900 0.048 0.000 1.136 323 G CA 1.853 46.994 45.100 0.069 0.000 0.759 323 G HN 1.056 nan 8.290 nan 0.000 0.562 324 T N -1.361 113.220 114.554 0.045 0.000 2.995 324 T HA 0.076 4.426 4.350 -0.000 0.000 0.269 324 T C 1.056 175.771 174.700 0.024 0.000 1.091 324 T CA 0.805 62.923 62.100 0.030 0.000 1.128 324 T CB -0.012 68.871 68.868 0.025 0.000 0.891 324 T HN 0.438 nan 8.240 nan 0.000 0.492 325 E N 1.446 121.663 120.200 0.028 0.000 2.422 325 E HA 0.200 4.550 4.350 -0.000 0.000 0.260 325 E C -0.645 175.962 176.600 0.011 0.000 1.108 325 E CA -0.275 56.134 56.400 0.015 0.000 0.943 325 E CB 0.487 30.192 29.700 0.008 0.000 0.961 325 E HN 0.294 nan 8.360 nan 0.000 0.443 326 S N 1.538 117.240 115.700 0.004 0.000 2.422 326 S HA 0.407 4.877 4.470 -0.000 0.000 0.283 326 S C 0.677 175.276 174.600 -0.001 0.000 1.163 326 S CA 0.091 58.293 58.200 0.002 0.000 1.054 326 S CB 0.961 64.161 63.200 -0.000 0.000 0.967 326 S HN 0.833 nan 8.310 nan 0.000 0.499 327 G N 2.320 111.121 108.800 0.002 0.000 2.194 327 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.236 327 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.236 327 G C 0.262 175.161 174.900 -0.002 0.000 0.987 327 G CA -0.328 44.771 45.100 -0.002 0.000 0.635 327 G HN 1.186 nan 8.290 nan 0.000 0.520 328 A N 1.261 124.083 122.820 0.003 0.000 2.496 328 A HA 0.563 4.883 4.320 -0.000 0.000 0.278 328 A C 1.604 179.202 177.584 0.023 0.000 1.137 328 A CA 1.658 53.701 52.037 0.010 0.000 0.805 328 A CB -0.100 18.915 19.000 0.026 0.000 1.077 328 A HN 1.337 nan 8.150 nan 0.000 0.513 329 T N 0.936 115.499 114.554 0.016 0.000 3.044 329 T HA 0.250 4.600 4.350 -0.000 0.000 0.255 329 T C 0.371 175.099 174.700 0.045 0.000 1.073 329 T CA 0.452 62.565 62.100 0.023 0.000 1.125 329 T CB -0.303 68.567 68.868 0.004 0.000 0.908 329 T HN 0.365 nan 8.240 nan 0.000 0.480 330 L N 1.868 123.126 121.223 0.058 0.000 2.319 330 L HA 0.695 5.035 4.340 -0.000 0.000 0.281 330 L C 0.956 177.915 176.870 0.149 0.000 1.005 330 L CA -1.153 53.746 54.840 0.099 0.000 0.828 330 L CB 1.698 43.821 42.059 0.106 0.000 1.227 330 L HN 0.227 nan 8.230 nan 0.000 0.415 331 G N 3.393 112.262 108.800 0.115 0.000 2.489 331 G HA2 0.500 4.460 3.960 -0.000 0.000 0.271 331 G HA3 0.500 4.460 3.960 -0.000 0.000 0.271 331 G C -2.606 172.251 174.900 -0.072 0.000 1.427 331 G CA -0.742 44.410 45.100 0.086 0.000 1.057 331 G HN 0.354 nan 8.290 nan 0.000 0.532 332 P HA 0.427 nan 4.420 nan 0.000 0.283 332 P C -0.588 176.579 177.300 -0.221 0.000 1.278 332 P CA -0.797 61.920 63.100 -0.640 0.000 0.834 332 P CB 1.318 32.343 31.700 -1.125 0.000 1.150 333 L N 1.201 122.349 121.223 -0.125 0.000 2.476 333 L HA 0.057 4.397 4.340 -0.000 0.000 0.264 333 L C 2.159 178.947 176.870 -0.136 0.000 1.224 333 L CA 0.248 55.055 54.840 -0.055 0.000 0.821 333 L CB -0.297 41.747 42.059 -0.025 0.000 1.101 333 L HN 0.335 nan 8.230 nan 0.000 0.488 334 I N 0.800 121.250 120.570 -0.199 0.000 2.546 334 I HA -0.123 4.047 4.170 -0.000 0.000 0.255 334 I C 0.298 176.242 176.117 -0.288 0.000 1.163 334 I CA 1.105 62.204 61.300 -0.335 0.000 1.457 334 I CB -0.766 36.751 38.000 -0.805 0.000 1.092 334 I HN 1.002 nan 8.210 nan 0.000 0.434 335 N N -2.208 116.343 118.700 -0.249 0.000 3.179 335 N HA 0.063 4.803 4.740 -0.000 0.000 0.250 335 N C 0.295 175.729 175.510 -0.125 0.000 1.507 335 N CA -0.584 52.359 53.050 -0.179 0.000 0.883 335 N CB 0.407 38.764 38.487 -0.218 0.000 1.435 335 N HN -0.327 nan 8.380 nan 0.000 0.532 336 E N 0.029 120.171 120.200 -0.097 0.000 2.031 336 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 336 E C 1.796 178.345 176.600 -0.085 0.000 0.994 336 E CA 1.777 58.135 56.400 -0.071 0.000 0.800 336 E CB -0.697 28.965 29.700 -0.062 0.000 0.752 336 E HN 0.668 nan 8.360 nan 0.000 0.447 337 A N 1.333 124.091 122.820 -0.103 0.000 1.958 337 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 337 A C 2.371 179.888 177.584 -0.111 0.000 1.178 337 A CA 2.464 54.439 52.037 -0.103 0.000 0.642 337 A CB -0.573 18.359 19.000 -0.112 0.000 0.816 337 A HN 0.294 nan 8.150 nan 0.000 0.453 338 A N -0.914 121.830 122.820 -0.127 0.000 1.929 338 A HA 0.113 4.433 4.320 -0.000 0.000 0.216 338 A C 2.203 179.719 177.584 -0.114 0.000 1.176 338 A CA 1.509 53.481 52.037 -0.108 0.000 0.628 338 A CB -0.734 18.202 19.000 -0.106 0.000 0.816 338 A HN 0.385 nan 8.150 nan 0.000 0.444 339 V N 0.461 120.308 119.914 -0.112 0.000 2.358 339 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 339 V C 3.162 179.163 176.094 -0.156 0.000 1.047 339 V CA 2.566 64.782 62.300 -0.140 0.000 1.035 339 V CB -1.306 30.499 31.823 -0.029 0.000 0.658 339 V HN 0.727 nan 8.190 nan 0.000 0.452 340 K N 0.516 120.856 120.400 -0.100 0.000 2.034 340 K HA -0.317 4.003 4.320 -0.000 0.000 0.214 340 K C 2.204 178.721 176.600 -0.139 0.000 1.051 340 K CA 2.451 58.684 56.287 -0.090 0.000 0.931 340 K CB -0.923 31.534 32.500 -0.071 0.000 0.715 340 K HN 0.524 nan 8.250 nan 0.000 0.446 341 K N -0.024 120.277 120.400 -0.165 0.000 2.074 341 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 341 K C 2.189 178.593 176.600 -0.326 0.000 1.048 341 K CA 1.574 57.713 56.287 -0.245 0.000 0.926 341 K CB -0.479 31.905 32.500 -0.193 0.000 0.713 341 K HN 0.230 nan 8.250 nan 0.000 0.444 342 V N 1.317 121.073 119.914 -0.264 0.000 2.295 342 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 342 V C 1.992 177.959 176.094 -0.211 0.000 1.049 342 V CA 1.958 64.090 62.300 -0.280 0.000 1.024 342 V CB -0.460 31.030 31.823 -0.555 0.000 0.648 342 V HN 0.394 nan 8.190 nan 0.000 0.447 343 E N -0.125 119.955 120.200 -0.200 0.000 2.118 343 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 343 E C 2.282 178.874 176.600 -0.014 0.000 0.992 343 E CA 1.475 57.860 56.400 -0.025 0.000 0.804 343 E CB -0.244 29.470 29.700 0.024 0.000 0.741 343 E HN 0.496 nan 8.360 nan 0.000 0.458 344 S N -1.039 114.607 115.700 -0.091 0.000 2.555 344 S HA -0.097 4.373 4.470 -0.000 0.000 0.230 344 S C 1.215 175.803 174.600 -0.020 0.000 0.978 344 S CA 0.736 58.886 58.200 -0.083 0.000 0.934 344 S CB -0.111 62.997 63.200 -0.153 0.000 0.766 344 S HN 0.367 nan 8.310 nan 0.000 0.533 345 H N -0.941 118.140 119.070 0.020 0.000 2.681 345 H HA 0.347 4.903 4.556 -0.000 0.000 0.268 345 H C 1.715 177.066 175.328 0.039 0.000 0.967 345 H CA 0.532 56.601 56.048 0.035 0.000 1.233 345 H CB 0.367 30.152 29.762 0.038 0.000 1.445 345 H HN 0.352 nan 8.280 nan 0.000 0.494 346 I N 0.624 121.290 120.570 0.160 0.000 2.333 346 I HA -0.109 4.061 4.170 -0.000 0.000 0.246 346 I C 2.649 178.823 176.117 0.095 0.000 1.106 346 I CA 0.778 62.153 61.300 0.125 0.000 1.411 346 I CB -0.107 37.984 38.000 0.152 0.000 1.082 346 I HN 0.222 nan 8.210 nan 0.000 0.420 347 A N 0.885 123.757 122.820 0.086 0.000 1.908 347 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 347 A C 1.996 179.618 177.584 0.063 0.000 1.181 347 A CA 2.492 54.568 52.037 0.065 0.000 0.627 347 A CB -0.824 18.208 19.000 0.054 0.000 0.818 347 A HN 0.506 nan 8.150 nan 0.000 0.445 348 D N -0.549 119.900 120.400 0.081 0.000 2.178 348 D HA 0.029 4.669 4.640 -0.000 0.000 0.202 348 D C 1.857 178.193 176.300 0.059 0.000 0.974 348 D CA 1.535 55.582 54.000 0.078 0.000 0.841 348 D CB -0.141 40.728 40.800 0.115 0.000 0.953 348 D HN 0.334 nan 8.370 nan 0.000 0.478 349 A N -0.297 122.556 122.820 0.055 0.000 1.930 349 A HA 0.046 4.366 4.320 -0.000 0.000 0.215 349 A C 1.999 179.592 177.584 0.013 0.000 1.176 349 A CA 0.551 52.600 52.037 0.020 0.000 0.632 349 A CB -0.539 18.464 19.000 0.006 0.000 0.819 349 A HN 0.288 nan 8.150 nan 0.000 0.445 350 L N -0.158 121.081 121.223 0.028 0.000 2.056 350 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 350 L C 2.947 179.829 176.870 0.020 0.000 1.078 350 L CA 1.813 56.666 54.840 0.022 0.000 0.749 350 L CB -1.308 40.770 42.059 0.031 0.000 0.901 350 L HN 0.404 nan 8.230 nan 0.000 0.433 351 A N -0.715 122.121 122.820 0.026 0.000 1.883 351 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 351 A C 2.188 179.784 177.584 0.019 0.000 1.186 351 A CA 1.682 53.733 52.037 0.023 0.000 0.624 351 A CB -0.430 18.588 19.000 0.029 0.000 0.822 351 A HN 0.394 nan 8.150 nan 0.000 0.444 352 K N -1.425 118.986 120.400 0.019 0.000 2.505 352 K HA 0.244 4.564 4.320 -0.000 0.000 0.192 352 K C 0.706 177.308 176.600 0.004 0.000 1.025 352 K CA 0.465 56.761 56.287 0.015 0.000 1.086 352 K CB 0.019 32.532 32.500 0.022 0.000 0.840 352 K HN 0.691 nan 8.250 nan 0.000 0.514 353 G N 0.297 109.097 108.800 0.000 0.000 2.151 353 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.140 353 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.140 353 G C 0.006 174.897 174.900 -0.014 0.000 1.020 353 G CA -0.203 44.894 45.100 -0.006 0.000 0.688 353 G HN 0.372 nan 8.290 nan 0.000 0.500 354 A N -0.182 122.628 122.820 -0.016 0.000 2.242 354 A HA 0.913 5.233 4.320 -0.000 0.000 0.304 354 A C 0.526 178.108 177.584 -0.004 0.000 1.100 354 A CA 0.330 52.354 52.037 -0.021 0.000 0.860 354 A CB 1.007 19.983 19.000 -0.039 0.000 1.168 354 A HN 1.102 nan 8.150 nan 0.000 0.503 355 S N -0.209 115.492 115.700 0.001 0.000 2.502 355 S HA 0.477 4.947 4.470 -0.000 0.000 0.304 355 S C -0.830 173.773 174.600 0.005 0.000 1.097 355 S CA -0.486 57.718 58.200 0.007 0.000 1.045 355 S CB 1.192 64.399 63.200 0.012 0.000 1.019 355 S HN 0.551 nan 8.310 nan 0.000 0.481 356 L N 3.132 124.358 121.223 0.006 0.000 2.361 356 L HA 0.363 4.703 4.340 -0.000 0.000 0.278 356 L C 0.727 177.592 176.870 -0.008 0.000 1.113 356 L CA 0.356 55.199 54.840 0.006 0.000 0.849 356 L CB 0.653 42.718 42.059 0.010 0.000 1.155 356 L HN 0.871 nan 8.230 nan 0.000 0.452 357 M N 2.211 121.800 119.600 -0.018 0.000 2.657 357 M HA 0.171 4.651 4.480 -0.000 0.000 0.262 357 M C 0.393 176.666 176.300 -0.046 0.000 1.213 357 M CA 0.537 55.814 55.300 -0.038 0.000 1.182 357 M CB 0.512 33.075 32.600 -0.061 0.000 1.303 357 M HN 0.626 nan 8.290 nan 0.000 0.501 358 T N -1.412 113.120 114.554 -0.037 0.000 2.821 358 T HA 0.571 4.921 4.350 -0.000 0.000 0.306 358 T C 0.104 174.792 174.700 -0.020 0.000 1.313 358 T CA -0.028 62.047 62.100 -0.042 0.000 1.012 358 T CB 0.820 69.649 68.868 -0.066 0.000 1.298 358 T HN 0.679 nan 8.240 nan 0.000 0.502 359 G N 1.676 110.453 108.800 -0.039 0.000 2.614 359 G HA2 0.167 4.127 3.960 -0.000 0.000 0.303 359 G HA3 0.167 4.127 3.960 -0.000 0.000 0.303 359 G C 1.046 175.918 174.900 -0.047 0.000 1.270 359 G CA 1.483 46.551 45.100 -0.053 0.000 0.988 359 G HN 2.365 nan 8.290 nan 0.000 0.551 360 G N -3.702 105.080 108.800 -0.030 0.000 2.352 360 G HA2 0.509 4.468 3.960 -0.000 0.000 0.204 360 G HA3 0.509 4.468 3.960 -0.000 0.000 0.204 360 G C 0.593 175.495 174.900 0.004 0.000 1.004 360 G CA 1.492 46.620 45.100 0.047 0.000 0.648 360 G HN 2.425 nan 8.290 nan 0.000 0.491 361 K N 0.378 120.612 120.400 -0.277 0.000 2.433 361 K HA 0.904 5.224 4.320 -0.000 0.000 0.252 361 K C 0.293 176.373 176.600 -0.867 0.000 1.015 361 K CA -0.248 55.828 56.287 -0.352 0.000 0.860 361 K CB 0.617 33.026 32.500 -0.152 0.000 1.359 361 K HN 0.630 nan 8.250 nan 0.000 0.452 362 R N 1.482 121.673 120.500 -0.515 0.000 2.698 362 R HA 0.070 4.410 4.340 -0.000 0.000 0.266 362 R C 0.493 176.677 176.300 -0.194 0.000 1.026 362 R CA -0.370 55.547 56.100 -0.305 0.000 1.102 362 R CB 0.102 30.460 30.300 0.097 0.000 0.978 362 R HN 0.726 nan 8.270 nan 0.000 0.436 363 H N 0.999 120.003 119.070 -0.111 0.000 2.615 363 H HA 0.050 4.606 4.556 -0.000 0.000 0.363 363 H C 0.896 176.206 175.328 -0.031 0.000 1.148 363 H CA 0.451 56.462 56.048 -0.062 0.000 1.401 363 H CB 1.338 31.110 29.762 0.017 0.000 1.461 363 H HN 0.735 nan 8.280 nan 0.000 0.588 364 A N 4.673 127.279 122.820 -0.356 0.000 1.903 364 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 364 A C 2.739 180.356 177.584 0.056 0.000 1.191 364 A CA 2.352 54.300 52.037 -0.148 0.000 0.638 364 A CB -1.354 17.503 19.000 -0.240 0.000 0.823 364 A HN 0.690 nan 8.150 nan 0.000 0.451 365 L N -0.955 120.400 121.223 0.221 0.000 2.700 365 L HA 0.387 4.727 4.340 -0.000 0.000 0.240 365 L C 2.006 179.042 176.870 0.275 0.000 1.162 365 L CA 1.446 56.353 54.840 0.111 0.000 0.874 365 L CB -2.462 39.437 42.059 -0.266 0.000 1.001 365 L HN 1.571 nan 8.230 nan 0.000 0.447 366 G N -1.367 107.589 108.800 0.259 0.000 2.652 366 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.318 366 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.318 366 G C 0.722 175.838 174.900 0.359 0.000 1.295 366 G CA 1.681 46.915 45.100 0.225 0.000 0.999 366 G HN 1.373 nan 8.290 nan 0.000 0.548 367 H N -1.917 117.261 119.070 0.180 0.000 1.452 367 H HA -0.299 4.257 4.556 -0.000 0.000 0.090 367 H C 2.179 177.544 175.328 0.061 0.000 1.080 367 H CA 3.702 59.817 56.048 0.112 0.000 1.901 367 H CB -1.289 28.549 29.762 0.126 0.000 2.257 367 H HN 1.463 nan 8.280 nan 0.000 0.961 368 G N -0.849 108.039 108.800 0.147 0.000 3.062 368 G HA2 0.248 4.208 3.960 -0.000 0.000 0.228 368 G HA3 0.248 4.208 3.960 -0.000 0.000 0.228 368 G C -0.371 174.531 174.900 0.003 0.000 1.094 368 G CA -0.159 44.934 45.100 -0.011 0.000 0.782 368 G HN 0.173 nan 8.290 nan 0.000 0.541 369 F N 0.544 120.594 119.950 0.167 0.000 2.518 369 F HA 0.529 5.056 4.527 -0.000 0.000 0.359 369 F C -0.153 175.814 175.800 0.279 0.000 1.118 369 F CA -0.199 57.897 58.000 0.160 0.000 1.287 369 F CB 0.561 39.609 39.000 0.080 0.000 1.132 369 F HN -0.029 nan 8.300 nan 0.000 0.587 370 F N 1.791 121.913 119.950 0.287 0.000 2.604 370 F HA 0.275 4.802 4.527 -0.000 0.000 0.316 370 F C -0.297 175.631 175.800 0.212 0.000 1.136 370 F CA -0.992 57.140 58.000 0.220 0.000 0.989 370 F CB 1.199 40.288 39.000 0.149 0.000 1.258 370 F HN 0.452 nan 8.300 nan 0.000 0.451 371 E N 6.486 126.548 120.200 -0.229 0.000 2.465 371 E HA 0.084 4.434 4.350 -0.000 0.000 0.260 371 E C -2.243 174.444 176.600 0.144 0.000 0.980 371 E CA -1.327 55.037 56.400 -0.061 0.000 0.927 371 E CB 0.543 30.097 29.700 -0.244 0.000 0.934 371 E HN 0.132 nan 8.360 nan 0.000 0.459 372 P HA -0.000 nan 4.420 nan 0.000 0.271 372 P C -1.031 176.368 177.300 0.165 0.000 1.233 372 P CA 0.033 63.252 63.100 0.198 0.000 0.764 372 P CB 0.919 32.582 31.700 -0.062 0.000 0.825 373 T N 2.648 117.370 114.554 0.280 0.000 2.856 373 T HA 0.456 4.806 4.350 -0.000 0.000 0.283 373 T C -0.203 174.593 174.700 0.160 0.000 1.008 373 T CA -0.502 61.712 62.100 0.190 0.000 0.997 373 T CB 1.397 70.410 68.868 0.242 0.000 0.992 373 T HN 0.072 nan 8.240 nan 0.000 0.454 374 V N 3.689 123.640 119.914 0.062 0.000 2.588 374 V HA 0.530 4.650 4.120 -0.000 0.000 0.304 374 V C -0.788 175.296 176.094 -0.017 0.000 1.042 374 V CA -0.823 61.471 62.300 -0.010 0.000 0.877 374 V CB 1.694 33.463 31.823 -0.090 0.000 0.996 374 V HN 0.696 nan 8.190 nan 0.000 0.425 375 L N 4.593 125.801 121.223 -0.025 0.000 2.325 375 L HA 0.617 4.957 4.340 -0.000 0.000 0.281 375 L C 0.480 177.335 176.870 -0.025 0.000 1.004 375 L CA -0.353 54.475 54.840 -0.019 0.000 0.823 375 L CB 2.233 44.284 42.059 -0.013 0.000 1.236 375 L HN 0.811 nan 8.230 nan 0.000 0.415 376 T N -1.246 113.313 114.554 0.008 0.000 2.918 376 T HA 0.537 4.886 4.350 -0.000 0.000 0.283 376 T C 0.993 175.745 174.700 0.087 0.000 1.001 376 T CA 0.069 62.231 62.100 0.104 0.000 1.041 376 T CB 1.620 70.579 68.868 0.151 0.000 1.028 376 T HN 0.946 nan 8.240 nan 0.000 0.511 377 G N 0.692 109.584 108.800 0.154 0.000 2.273 377 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.280 377 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.280 377 G C 0.007 174.848 174.900 -0.098 0.000 1.047 377 G CA 0.032 45.121 45.100 -0.017 0.000 0.869 377 G HN 1.047 nan 8.290 nan 0.000 0.502 378 V N -0.610 119.184 119.914 -0.200 0.000 2.775 378 V HA 0.789 4.909 4.120 -0.000 0.000 0.299 378 V C 0.709 176.506 176.094 -0.496 0.000 1.062 378 V CA 0.677 62.720 62.300 -0.428 0.000 1.063 378 V CB 1.237 32.625 31.823 -0.725 0.000 0.994 378 V HN 1.031 nan 8.190 nan 0.000 0.483 379 K N 3.783 123.985 120.400 -0.328 0.000 2.482 379 K HA 0.661 4.981 4.320 -0.000 0.000 0.257 379 K C -2.548 174.176 176.600 0.208 0.000 0.969 379 K CA -1.480 54.797 56.287 -0.016 0.000 0.842 379 K CB 0.855 33.367 32.500 0.019 0.000 1.359 379 K HN 0.426 nan 8.250 nan 0.000 0.441 380 P HA -0.171 nan 4.420 nan 0.000 0.221 380 P C 0.513 177.935 177.300 0.203 0.000 1.145 380 P CA 1.403 64.709 63.100 0.343 0.000 0.795 380 P CB 0.258 32.108 31.700 0.250 0.000 0.775 381 D N -1.880 118.605 120.400 0.141 0.000 2.378 381 D HA -0.081 4.559 4.640 -0.000 0.000 0.227 381 D C 0.578 176.933 176.300 0.091 0.000 1.012 381 D CA 0.501 54.560 54.000 0.098 0.000 0.905 381 D CB -0.449 40.393 40.800 0.071 0.000 0.895 381 D HN 0.211 nan 8.370 nan 0.000 0.532 382 M N 0.573 120.236 119.600 0.105 0.000 2.359 382 M HA 0.132 4.612 4.480 -0.000 0.000 0.322 382 M C 0.732 177.087 176.300 0.092 0.000 1.166 382 M CA -0.772 54.577 55.300 0.083 0.000 1.067 382 M CB 1.361 33.986 32.600 0.043 0.000 1.523 382 M HN -0.378 nan 8.290 nan 0.000 0.467 383 D N 0.699 121.149 120.400 0.084 0.000 2.144 383 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 383 D C 1.793 178.069 176.300 -0.039 0.000 0.984 383 D CA 1.051 55.107 54.000 0.094 0.000 0.834 383 D CB -0.132 40.798 40.800 0.216 0.000 0.955 383 D HN 0.409 nan 8.370 nan 0.000 0.465 384 V N 0.633 120.433 119.914 -0.190 0.000 2.594 384 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 384 V C 2.035 178.114 176.094 -0.024 0.000 1.069 384 V CA 1.892 63.983 62.300 -0.347 0.000 1.082 384 V CB -0.378 31.295 31.823 -0.250 0.000 0.680 384 V HN 0.197 nan 8.190 nan 0.000 0.469 385 A N -0.458 122.444 122.820 0.135 0.000 2.014 385 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 385 A C 2.269 179.914 177.584 0.102 0.000 1.163 385 A CA 1.898 54.037 52.037 0.170 0.000 0.652 385 A CB -0.460 18.704 19.000 0.274 0.000 0.808 385 A HN 0.631 nan 8.150 nan 0.000 0.449 386 K N -0.200 120.263 120.400 0.106 0.000 2.354 386 K HA 0.288 4.608 4.320 -0.000 0.000 0.194 386 K C 0.562 177.260 176.600 0.164 0.000 1.045 386 K CA 0.548 56.923 56.287 0.147 0.000 1.026 386 K CB 0.063 32.648 32.500 0.141 0.000 0.866 386 K HN 0.628 nan 8.250 nan 0.000 0.530 387 E N 0.119 120.374 120.200 0.092 0.000 2.207 387 E HA 0.276 4.626 4.350 -0.000 0.000 0.270 387 E C -1.344 175.292 176.600 0.061 0.000 0.927 387 E CA -0.647 55.821 56.400 0.114 0.000 0.799 387 E CB 1.967 31.817 29.700 0.250 0.000 1.172 387 E HN 0.419 nan 8.360 nan 0.000 0.404 388 E N 0.599 120.868 120.200 0.116 0.000 2.259 388 E HA 0.112 4.462 4.350 -0.000 0.000 0.281 388 E C 0.098 176.922 176.600 0.374 0.000 1.027 388 E CA -0.024 56.458 56.400 0.136 0.000 0.838 388 E CB 0.969 30.737 29.700 0.113 0.000 1.066 388 E HN 0.409 nan 8.360 nan 0.000 0.401 389 T N 3.592 118.309 114.554 0.271 0.000 2.937 389 T HA -0.022 4.328 4.350 -0.000 0.000 0.260 389 T C 0.221 175.150 174.700 0.383 0.000 1.051 389 T CA -0.005 62.322 62.100 0.378 0.000 1.141 389 T CB -0.161 68.878 68.868 0.286 0.000 0.879 389 T HN 0.654 nan 8.240 nan 0.000 0.459 390 F N 1.078 121.078 119.950 0.083 0.000 3.074 390 F HA -0.068 4.459 4.527 -0.000 0.000 0.287 390 F C 0.844 176.697 175.800 0.089 0.000 0.932 390 F CA 0.553 58.611 58.000 0.097 0.000 0.995 390 F CB -1.649 37.441 39.000 0.151 0.000 0.966 390 F HN 0.432 nan 8.300 nan 0.000 0.721 391 G N -1.245 107.643 108.800 0.146 0.000 2.559 391 G HA2 0.609 4.569 3.960 -0.000 0.000 0.291 391 G HA3 0.609 4.569 3.960 -0.000 0.000 0.291 391 G C -3.215 171.725 174.900 0.066 0.000 1.424 391 G CA -0.921 44.239 45.100 0.100 0.000 0.786 391 G HN -0.228 nan 8.290 nan 0.000 0.485 392 P HA 0.327 nan 4.420 nan 0.000 0.225 392 P C -0.777 176.637 177.300 0.190 0.000 1.813 392 P CA -0.161 63.042 63.100 0.171 0.000 1.013 392 P CB 0.266 32.210 31.700 0.406 0.000 1.961 393 L N 1.401 122.654 121.223 0.051 0.000 2.343 393 L HA 0.705 5.045 4.340 -0.000 0.000 0.278 393 L C -0.550 176.341 176.870 0.035 0.000 0.996 393 L CA -0.797 54.097 54.840 0.090 0.000 0.831 393 L CB 1.726 43.852 42.059 0.112 0.000 1.232 393 L HN 0.098 nan 8.230 nan 0.000 0.413 394 A N 6.766 129.606 122.820 0.034 0.000 2.366 394 A HA 0.763 5.083 4.320 -0.000 0.000 0.322 394 A C -2.570 175.036 177.584 0.037 0.000 1.397 394 A CA -1.323 50.722 52.037 0.014 0.000 0.984 394 A CB -0.236 18.607 19.000 -0.261 0.000 1.149 394 A HN 0.505 nan 8.150 nan 0.000 0.540 395 P HA 0.361 nan 4.420 nan 0.000 0.295 395 P C -0.784 176.620 177.300 0.174 0.000 1.354 395 P CA -0.070 63.087 63.100 0.094 0.000 0.814 395 P CB 0.880 32.665 31.700 0.143 0.000 0.935 396 L N 4.893 126.140 121.223 0.039 0.000 2.270 396 L HA 0.390 4.730 4.340 -0.000 0.000 0.286 396 L C 0.293 177.286 176.870 0.204 0.000 1.059 396 L CA -0.489 54.452 54.840 0.170 0.000 0.839 396 L CB -0.286 41.782 42.059 0.015 0.000 1.221 396 L HN 0.262 nan 8.230 nan 0.000 0.431 397 F N 2.325 122.366 119.950 0.152 0.000 2.362 397 F HA 0.546 5.073 4.527 -0.000 0.000 0.311 397 F C 0.687 176.717 175.800 0.384 0.000 1.161 397 F CA -0.490 57.607 58.000 0.161 0.000 1.085 397 F CB 0.785 39.718 39.000 -0.112 0.000 1.311 397 F HN 0.379 nan 8.300 nan 0.000 0.524 398 R N 1.384 122.197 120.500 0.521 0.000 2.628 398 R HA 0.531 4.871 4.340 -0.000 0.000 0.288 398 R C -1.999 174.515 176.300 0.357 0.000 0.980 398 R CA -0.566 55.716 56.100 0.304 0.000 0.891 398 R CB 1.588 31.828 30.300 -0.100 0.000 1.188 398 R HN 0.632 nan 8.270 nan 0.000 0.450 399 F N 1.108 121.114 119.950 0.093 0.000 2.588 399 F HA 0.769 5.296 4.527 -0.000 0.000 0.310 399 F C -0.343 175.325 175.800 -0.220 0.000 1.082 399 F CA -0.642 57.342 58.000 -0.027 0.000 0.929 399 F CB 1.991 40.966 39.000 -0.042 0.000 1.254 399 F HN 0.507 nan 8.300 nan 0.000 0.455 400 A N 1.248 124.013 122.820 -0.092 0.000 2.035 400 A HA 0.494 4.814 4.320 -0.000 0.000 0.208 400 A C 0.568 178.118 177.584 -0.057 0.000 1.206 400 A CA 0.870 52.756 52.037 -0.253 0.000 0.773 400 A CB -0.578 18.369 19.000 -0.089 0.000 0.878 400 A HN 1.048 nan 8.150 nan 0.000 0.469 401 S N -1.874 113.961 115.700 0.224 0.000 2.618 401 S HA 0.458 4.928 4.470 -0.000 0.000 0.277 401 S C 0.324 175.154 174.600 0.384 0.000 1.138 401 S CA 0.108 58.499 58.200 0.318 0.000 0.844 401 S CB 1.537 64.846 63.200 0.182 0.000 1.127 401 S HN 0.249 nan 8.310 nan 0.000 0.474 402 E N 0.673 121.102 120.200 0.382 0.000 2.058 402 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 402 E C 1.711 178.391 176.600 0.134 0.000 0.997 402 E CA 1.581 58.179 56.400 0.330 0.000 0.801 402 E CB -0.156 29.687 29.700 0.239 0.000 0.746 402 E HN 0.797 nan 8.360 nan 0.000 0.450 403 E N 0.378 120.638 120.200 0.100 0.000 2.110 403 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 403 E C 1.980 178.584 176.600 0.006 0.000 0.988 403 E CA 1.133 57.558 56.400 0.042 0.000 0.804 403 E CB -0.013 29.713 29.700 0.043 0.000 0.745 403 E HN 0.321 nan 8.360 nan 0.000 0.458 404 E N 0.258 120.474 120.200 0.025 0.000 2.112 404 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 404 E C 2.399 178.922 176.600 -0.130 0.000 0.979 404 E CA 0.478 56.872 56.400 -0.009 0.000 0.814 404 E CB -0.022 29.713 29.700 0.058 0.000 0.762 404 E HN 0.249 nan 8.360 nan 0.000 0.460 405 L N 0.678 121.765 121.223 -0.228 0.000 1.994 405 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 405 L C 2.332 178.917 176.870 -0.476 0.000 1.071 405 L CA 1.428 55.910 54.840 -0.598 0.000 0.745 405 L CB -0.529 40.945 42.059 -0.975 0.000 0.892 405 L HN -0.029 nan 8.230 nan 0.000 0.431 406 V N 0.219 119.978 119.914 -0.259 0.000 2.278 406 V HA -0.384 3.736 4.120 -0.000 0.000 0.251 406 V C 2.827 178.821 176.094 -0.166 0.000 1.062 406 V CA 2.444 64.640 62.300 -0.173 0.000 1.038 406 V CB -0.831 30.943 31.823 -0.081 0.000 0.646 406 V HN 0.540 nan 8.190 nan 0.000 0.447 407 R N -0.913 119.502 120.500 -0.142 0.000 2.091 407 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 407 R C 2.217 178.436 176.300 -0.135 0.000 1.136 407 R CA 1.627 57.662 56.100 -0.108 0.000 0.959 407 R CB -0.242 30.015 30.300 -0.071 0.000 0.856 407 R HN 0.340 nan 8.270 nan 0.000 0.437 408 L N 0.242 121.328 121.223 -0.229 0.000 2.005 408 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 408 L C 2.500 179.199 176.870 -0.285 0.000 1.072 408 L CA 1.996 56.676 54.840 -0.266 0.000 0.744 408 L CB -1.153 40.658 42.059 -0.414 0.000 0.895 408 L HN 0.208 nan 8.230 nan 0.000 0.433 409 A N -0.312 122.228 122.820 -0.467 0.000 1.948 409 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 409 A C 2.002 179.613 177.584 0.045 0.000 1.177 409 A CA 2.108 54.015 52.037 -0.216 0.000 0.636 409 A CB -0.598 18.244 19.000 -0.263 0.000 0.815 409 A HN 0.537 nan 8.150 nan 0.000 0.449 410 N N -0.012 118.674 118.700 -0.023 0.000 2.424 410 N HA -0.018 4.722 4.740 -0.000 0.000 0.178 410 N C 0.218 175.703 175.510 -0.041 0.000 1.060 410 N CA 0.485 53.519 53.050 -0.028 0.000 0.901 410 N CB -0.242 38.205 38.487 -0.066 0.000 0.979 410 N HN 0.367 nan 8.380 nan 0.000 0.451 411 D N 1.300 121.682 120.400 -0.029 0.000 2.662 411 D HA -0.009 4.631 4.640 -0.000 0.000 0.228 411 D C -0.499 175.809 176.300 0.014 0.000 1.090 411 D CA 0.556 54.547 54.000 -0.015 0.000 1.118 411 D CB -0.412 40.385 40.800 -0.004 0.000 1.129 411 D HN 0.027 nan 8.370 nan 0.000 0.472 412 T N -1.331 113.218 114.554 -0.010 0.000 2.830 412 T HA 0.436 4.786 4.350 -0.000 0.000 0.322 412 T C 0.625 175.253 174.700 -0.121 0.000 1.501 412 T CA 0.161 62.268 62.100 0.012 0.000 1.036 412 T CB 1.156 70.114 68.868 0.150 0.000 1.379 412 T HN 0.019 nan 8.240 nan 0.000 0.493 413 E N 1.552 121.580 120.200 -0.286 0.000 2.435 413 E HA 0.337 4.687 4.350 -0.000 0.000 0.195 413 E C 0.054 176.325 176.600 -0.547 0.000 1.029 413 E CA 0.533 56.635 56.400 -0.496 0.000 0.865 413 E CB -0.183 29.110 29.700 -0.678 0.000 0.833 413 E HN 0.521 nan 8.360 nan 0.000 0.510 414 F N -0.763 119.141 119.950 -0.076 0.000 2.399 414 F HA 0.644 5.171 4.527 -0.000 0.000 0.328 414 F C 1.137 176.802 175.800 -0.225 0.000 1.084 414 F CA -0.853 57.098 58.000 -0.083 0.000 1.053 414 F CB 2.535 41.537 39.000 0.002 0.000 1.209 414 F HN -0.031 nan 8.300 nan 0.000 0.502 415 G N 2.208 110.968 108.800 -0.066 0.000 3.846 415 G HA2 0.411 4.371 3.960 -0.000 0.000 0.281 415 G HA3 0.411 4.371 3.960 -0.000 0.000 0.281 415 G C -0.828 174.018 174.900 -0.090 0.000 1.384 415 G CA -0.091 44.758 45.100 -0.418 0.000 0.641 415 G HN 0.572 nan 8.290 nan 0.000 0.458 416 L N 1.440 122.755 121.223 0.154 0.000 2.814 416 L HA 0.918 5.258 4.340 -0.000 0.000 0.182 416 L C 1.256 178.126 176.870 -0.000 0.000 1.386 416 L CA 0.821 55.672 54.840 0.018 0.000 1.190 416 L CB -0.070 41.969 42.059 -0.034 0.000 1.399 416 L HN 0.369 nan 8.230 nan 0.000 0.685 417 A N -0.621 122.129 122.820 -0.116 0.000 2.306 417 A HA 0.853 5.173 4.320 -0.000 0.000 0.330 417 A C -0.901 176.296 177.584 -0.644 0.000 1.146 417 A CA 0.095 51.906 52.037 -0.376 0.000 0.827 417 A CB 0.793 19.538 19.000 -0.425 0.000 1.178 417 A HN 0.674 nan 8.150 nan 0.000 0.490 418 A N 0.268 122.553 122.820 -0.892 0.000 2.587 418 A HA 0.773 5.093 4.320 -0.000 0.000 0.293 418 A C -1.787 175.221 177.584 -0.961 0.000 1.087 418 A CA -0.462 50.985 52.037 -0.984 0.000 0.692 418 A CB 0.977 19.345 19.000 -1.053 0.000 1.291 418 A HN 0.913 nan 8.150 nan 0.000 0.407 419 Y N 0.017 120.126 120.300 -0.317 0.000 2.442 419 Y HA 0.629 5.179 4.550 -0.000 0.000 0.344 419 Y C -0.419 175.230 175.900 -0.419 0.000 0.976 419 Y CA -0.956 56.944 58.100 -0.335 0.000 1.040 419 Y CB 2.158 40.435 38.460 -0.305 0.000 1.228 419 Y HN 0.782 nan 8.280 nan 0.000 0.451 420 L N 0.580 121.683 121.223 -0.201 0.000 2.438 420 L HA 0.680 5.020 4.340 -0.000 0.000 0.270 420 L C -2.128 174.685 176.870 -0.095 0.000 0.972 420 L CA -1.078 53.687 54.840 -0.126 0.000 0.831 420 L CB 1.346 43.381 42.059 -0.039 0.000 1.273 420 L HN 0.549 nan 8.230 nan 0.000 0.405 421 Y N 2.354 122.584 120.300 -0.118 0.000 2.328 421 Y HA 0.787 5.337 4.550 -0.000 0.000 0.337 421 Y C 0.670 176.657 175.900 0.146 0.000 1.008 421 Y CA 0.134 58.234 58.100 -0.000 0.000 1.129 421 Y CB 2.065 40.530 38.460 0.009 0.000 1.185 421 Y HN 0.962 nan 8.280 nan 0.000 0.476 422 S N 2.221 118.022 115.700 0.168 0.000 2.611 422 S HA 0.448 4.918 4.470 -0.000 0.000 0.270 422 S C -0.493 174.134 174.600 0.045 0.000 1.131 422 S CA -0.756 57.526 58.200 0.136 0.000 0.826 422 S CB 1.568 64.795 63.200 0.044 0.000 1.095 422 S HN 0.666 nan 8.310 nan 0.000 0.461 423 R N 1.066 121.588 120.500 0.036 0.000 2.369 423 R HA 0.382 4.722 4.340 -0.000 0.000 0.210 423 R C -0.465 175.839 176.300 0.006 0.000 0.881 423 R CA 0.323 56.440 56.100 0.027 0.000 1.031 423 R CB 0.031 30.360 30.300 0.047 0.000 1.184 423 R HN 0.706 nan 8.270 nan 0.000 0.581 424 D N 0.280 120.670 120.400 -0.017 0.000 2.339 424 D HA 0.006 4.645 4.640 -0.000 0.000 0.256 424 D C 1.384 177.676 176.300 -0.014 0.000 1.214 424 D CA -0.039 53.945 54.000 -0.026 0.000 0.877 424 D CB 0.561 41.327 40.800 -0.057 0.000 1.111 424 D HN -0.073 nan 8.370 nan 0.000 0.478 425 I N 4.110 124.690 120.570 0.015 0.000 2.248 425 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 425 I C 1.781 177.958 176.117 0.100 0.000 1.107 425 I CA 1.544 62.885 61.300 0.069 0.000 1.373 425 I CB -0.803 37.218 38.000 0.034 0.000 1.055 425 I HN 0.679 nan 8.210 nan 0.000 0.418 426 G N -0.042 108.770 108.800 0.020 0.000 2.403 426 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 426 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 426 G C 1.863 176.766 174.900 0.006 0.000 1.154 426 G CA 0.595 45.703 45.100 0.013 0.000 0.784 426 G HN 0.328 nan 8.290 nan 0.000 0.538 427 R N -0.077 120.379 120.500 -0.073 0.000 2.081 427 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 427 R C 2.603 178.796 176.300 -0.178 0.000 1.131 427 R CA 1.369 57.346 56.100 -0.204 0.000 0.960 427 R CB -0.454 29.631 30.300 -0.359 0.000 0.856 427 R HN 0.201 nan 8.270 nan 0.000 0.436 428 V N -0.268 119.594 119.914 -0.087 0.000 2.282 428 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 428 V C 1.796 177.860 176.094 -0.050 0.000 1.057 428 V CA 2.071 64.330 62.300 -0.069 0.000 1.032 428 V CB -0.542 31.270 31.823 -0.020 0.000 0.645 428 V HN 0.490 nan 8.190 nan 0.000 0.447 429 W N 0.130 121.372 121.300 -0.096 0.000 2.418 429 W HA -0.009 4.651 4.660 -0.000 0.000 0.292 429 W C 2.727 179.205 176.519 -0.069 0.000 1.213 429 W CA 1.043 58.345 57.345 -0.073 0.000 1.283 429 W CB -0.284 29.140 29.460 -0.060 0.000 1.119 429 W HN 0.077 nan 8.180 nan 0.000 0.542 430 R N -0.360 120.215 120.500 0.125 0.000 2.070 430 R HA -0.152 4.188 4.340 -0.000 0.000 0.233 430 R C 1.882 178.181 176.300 -0.003 0.000 1.137 430 R CA 1.976 58.104 56.100 0.047 0.000 0.945 430 R CB -1.277 29.026 30.300 0.005 0.000 0.845 430 R HN 0.097 nan 8.270 nan 0.000 0.430 431 V N 1.220 121.111 119.914 -0.039 0.000 2.307 431 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 431 V C 2.549 178.605 176.094 -0.063 0.000 1.045 431 V CA 1.930 64.210 62.300 -0.034 0.000 1.024 431 V CB -0.915 30.910 31.823 0.003 0.000 0.651 431 V HN 0.405 nan 8.190 nan 0.000 0.449 432 A N -0.365 122.384 122.820 -0.117 0.000 1.892 432 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 432 A C 2.219 179.718 177.584 -0.141 0.000 1.188 432 A CA 2.121 54.050 52.037 -0.179 0.000 0.631 432 A CB -0.537 18.267 19.000 -0.326 0.000 0.822 432 A HN 0.625 nan 8.150 nan 0.000 0.447 433 E N -0.582 119.558 120.200 -0.099 0.000 2.077 433 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 433 E C 2.360 178.939 176.600 -0.036 0.000 0.989 433 E CA 0.943 57.314 56.400 -0.048 0.000 0.800 433 E CB -0.261 29.456 29.700 0.029 0.000 0.746 433 E HN 0.627 nan 8.360 nan 0.000 0.452 434 A N 1.407 124.210 122.820 -0.029 0.000 1.898 434 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 434 A C 1.335 178.903 177.584 -0.027 0.000 1.181 434 A CA 0.399 52.420 52.037 -0.026 0.000 0.620 434 A CB -0.559 18.427 19.000 -0.022 0.000 0.819 434 A HN 0.110 nan 8.150 nan 0.000 0.442 435 L N 1.359 122.574 121.223 -0.013 0.000 2.584 435 L HA -0.022 4.318 4.340 -0.000 0.000 0.272 435 L C 0.116 177.015 176.870 0.048 0.000 1.195 435 L CA 0.025 54.904 54.840 0.064 0.000 0.920 435 L CB 0.171 42.279 42.059 0.083 0.000 1.173 435 L HN 0.397 nan 8.230 nan 0.000 0.489 436 E N 4.298 124.475 120.200 -0.038 0.000 2.261 436 E HA 0.149 4.499 4.350 -0.000 0.000 0.308 436 E C -1.268 175.059 176.600 -0.454 0.000 1.400 436 E CA -0.030 56.237 56.400 -0.222 0.000 1.542 436 E CB 0.055 29.593 29.700 -0.271 0.000 1.369 436 E HN 0.355 nan 8.360 nan 0.000 0.493 437 Y N -1.512 118.707 120.300 -0.135 0.000 2.545 437 Y HA 0.337 4.887 4.550 -0.000 0.000 0.348 437 Y C 1.392 177.185 175.900 -0.178 0.000 1.002 437 Y CA -0.904 57.101 58.100 -0.159 0.000 1.039 437 Y CB 1.795 40.140 38.460 -0.191 0.000 1.271 437 Y HN 0.183 nan 8.280 nan 0.000 0.467 438 G N 1.372 110.141 108.800 -0.053 0.000 2.421 438 G HA2 0.022 3.982 3.960 -0.000 0.000 0.217 438 G HA3 0.022 3.982 3.960 -0.000 0.000 0.217 438 G C 0.109 174.913 174.900 -0.160 0.000 1.143 438 G CA 0.464 45.485 45.100 -0.133 0.000 0.784 438 G HN 0.441 nan 8.290 nan 0.000 0.541 439 M N 0.256 119.750 119.600 -0.177 0.000 2.326 439 M HA 0.492 4.972 4.480 -0.000 0.000 0.292 439 M C -1.771 174.373 176.300 -0.260 0.000 1.081 439 M CA -0.493 54.674 55.300 -0.222 0.000 0.919 439 M CB 3.526 35.952 32.600 -0.290 0.000 1.634 439 M HN -0.258 nan 8.290 nan 0.000 0.451 440 V N 1.718 121.489 119.914 -0.239 0.000 2.482 440 V HA 0.621 4.741 4.120 -0.000 0.000 0.295 440 V C 0.156 176.118 176.094 -0.220 0.000 1.026 440 V CA -0.765 61.369 62.300 -0.277 0.000 0.856 440 V CB 1.899 33.579 31.823 -0.238 0.000 1.001 440 V HN 1.012 nan 8.190 nan 0.000 0.424 441 G N 5.289 113.971 108.800 -0.197 0.000 2.338 441 G HA2 0.615 4.575 3.960 -0.000 0.000 0.295 441 G HA3 0.615 4.575 3.960 -0.000 0.000 0.295 441 G C -0.430 174.395 174.900 -0.125 0.000 1.132 441 G CA -0.352 44.724 45.100 -0.040 0.000 0.922 441 G HN 0.660 nan 8.290 nan 0.000 0.427 442 I N 2.789 123.253 120.570 -0.177 0.000 2.297 442 I HA 0.103 4.273 4.170 -0.000 0.000 0.291 442 I C 0.127 176.035 176.117 -0.350 0.000 1.033 442 I CA -0.703 60.447 61.300 -0.250 0.000 1.253 442 I CB 0.927 38.797 38.000 -0.216 0.000 1.396 442 I HN 0.483 nan 8.210 nan 0.000 0.476 443 N N 2.633 120.927 118.700 -0.676 0.000 2.725 443 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 443 N C -0.148 174.884 175.510 -0.796 0.000 1.103 443 N CA 1.270 53.624 53.050 -1.159 0.000 0.707 443 N CB -0.778 37.407 38.487 -0.503 0.000 1.043 443 N HN 0.777 nan 8.380 nan 0.000 0.553 444 T N -3.047 111.228 114.554 -0.464 0.000 2.889 444 T HA 0.586 4.936 4.350 -0.000 0.000 0.315 444 T C 0.879 175.723 174.700 0.241 0.000 1.291 444 T CA 0.133 62.267 62.100 0.057 0.000 1.028 444 T CB 1.508 70.400 68.868 0.039 0.000 1.235 444 T HN 0.046 nan 8.240 nan 0.000 0.491 445 G N 1.758 110.711 108.800 0.255 0.000 3.020 445 G HA2 0.380 4.340 3.960 -0.000 0.000 0.217 445 G HA3 0.380 4.340 3.960 -0.000 0.000 0.217 445 G C -0.030 174.836 174.900 -0.057 0.000 1.144 445 G CA -0.034 45.070 45.100 0.007 0.000 0.760 445 G HN 0.575 nan 8.290 nan 0.000 0.548 446 L N 1.152 122.426 121.223 0.085 0.000 2.349 446 L HA 0.510 4.850 4.340 -0.000 0.000 0.278 446 L C 0.505 177.443 176.870 0.113 0.000 0.996 446 L CA -0.690 54.203 54.840 0.089 0.000 0.825 446 L CB 1.950 44.039 42.059 0.050 0.000 1.243 446 L HN 0.233 nan 8.230 nan 0.000 0.412 447 I N -1.524 119.131 120.570 0.141 0.000 4.730 447 I HA 0.227 4.397 4.170 -0.000 0.000 0.332 447 I C 0.396 176.578 176.117 0.109 0.000 1.299 447 I CA -0.145 61.225 61.300 0.117 0.000 1.294 447 I CB 1.010 39.089 38.000 0.132 0.000 1.317 447 I HN 0.412 nan 8.210 nan 0.000 0.457 448 S N 3.290 119.063 115.700 0.122 0.000 2.489 448 S HA 0.646 5.116 4.470 -0.000 0.000 0.277 448 S C -0.335 174.348 174.600 0.140 0.000 1.230 448 S CA -0.537 57.771 58.200 0.181 0.000 1.053 448 S CB 0.468 63.770 63.200 0.171 0.000 0.955 448 S HN 0.666 nan 8.310 nan 0.000 0.488 449 N N 0.515 119.319 118.700 0.172 0.000 3.316 449 N HA 0.270 5.010 4.740 -0.000 0.000 0.300 449 N C 0.399 175.772 175.510 -0.229 0.000 1.567 449 N CA -0.842 52.236 53.050 0.047 0.000 0.821 449 N CB 0.352 38.797 38.487 -0.069 0.000 1.748 449 N HN 0.488 nan 8.380 nan 0.000 0.603 450 E N -0.458 119.358 120.200 -0.641 0.000 2.190 450 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 450 E C 1.265 177.185 176.600 -1.133 0.000 0.978 450 E CA 1.243 56.985 56.400 -1.097 0.000 0.839 450 E CB -0.361 28.544 29.700 -1.325 0.000 0.787 450 E HN 0.398 nan 8.360 nan 0.000 0.473 451 V N 0.412 119.742 119.914 -0.973 0.000 2.951 451 V HA 0.345 4.465 4.120 -0.000 0.000 0.255 451 V C 1.002 176.822 176.094 -0.456 0.000 1.088 451 V CA 0.642 62.297 62.300 -1.075 0.000 1.109 451 V CB -0.256 31.136 31.823 -0.719 0.000 0.724 451 V HN 0.303 nan 8.190 nan 0.000 0.471 452 A N 2.437 125.108 122.820 -0.248 0.000 2.301 452 A HA 0.761 5.081 4.320 -0.000 0.000 0.312 452 A C -2.582 175.026 177.584 0.041 0.000 1.182 452 A CA -1.844 50.160 52.037 -0.055 0.000 0.826 452 A CB 0.382 19.370 19.000 -0.018 0.000 1.134 452 A HN 0.412 nan 8.150 nan 0.000 0.501 453 P HA 0.167 nan 4.420 nan 0.000 0.270 453 P C -1.070 176.308 177.300 0.130 0.000 1.242 453 P CA 0.367 63.551 63.100 0.139 0.000 0.768 453 P CB 0.169 31.925 31.700 0.094 0.000 0.820 454 F N 4.116 124.089 119.950 0.039 0.000 2.427 454 F HA 0.696 5.223 4.527 -0.000 0.000 0.346 454 F C 0.288 176.090 175.800 0.003 0.000 1.120 454 F CA 0.442 58.456 58.000 0.023 0.000 1.033 454 F CB 1.557 40.596 39.000 0.064 0.000 1.126 454 F HN 0.622 nan 8.300 nan 0.000 0.462 455 G N 2.686 111.257 108.800 -0.382 0.000 2.321 455 G HA2 0.450 4.410 3.960 -0.000 0.000 0.298 455 G HA3 0.450 4.410 3.960 -0.000 0.000 0.298 455 G C -1.471 173.271 174.900 -0.264 0.000 1.385 455 G CA -0.273 44.701 45.100 -0.209 0.000 0.856 455 G HN 1.035 nan 8.290 nan 0.000 0.584 456 G N -1.755 106.955 108.800 -0.150 0.000 2.735 456 G HA2 0.977 4.937 3.960 -0.000 0.000 0.301 456 G HA3 0.977 4.937 3.960 -0.000 0.000 0.301 456 G C -0.074 174.765 174.900 -0.101 0.000 1.279 456 G CA 0.155 45.181 45.100 -0.123 0.000 1.019 456 G HN 1.904 nan 8.290 nan 0.000 0.497 457 V N -3.196 116.650 119.914 -0.113 0.000 3.181 457 V HA 0.828 4.947 4.120 -0.000 0.000 0.314 457 V C 0.710 176.732 176.094 -0.119 0.000 1.173 457 V CA -0.445 61.783 62.300 -0.120 0.000 1.052 457 V CB 1.052 32.783 31.823 -0.152 0.000 1.123 457 V HN 1.064 nan 8.190 nan 0.000 0.454 458 K N -0.919 119.408 120.400 -0.122 0.000 1.779 458 K HA -0.250 4.070 4.320 -0.000 0.000 0.128 458 K C 1.102 177.644 176.600 -0.097 0.000 1.288 458 K CA 1.965 58.175 56.287 -0.129 0.000 0.398 458 K CB -1.245 31.145 32.500 -0.184 0.000 0.609 458 K HN 0.816 nan 8.250 nan 0.000 0.874 459 Q N 0.555 120.281 119.800 -0.123 0.000 2.365 459 Q HA 0.124 4.464 4.340 -0.000 0.000 0.203 459 Q C 1.162 177.220 176.000 0.098 0.000 0.929 459 Q CA 0.748 56.506 55.803 -0.076 0.000 0.948 459 Q CB 0.660 29.229 28.738 -0.282 0.000 1.043 459 Q HN 0.361 nan 8.270 nan 0.000 0.505 460 S N -0.184 115.568 115.700 0.088 0.000 2.603 460 S HA 0.283 4.753 4.470 -0.000 0.000 0.220 460 S C 0.914 175.559 174.600 0.075 0.000 0.967 460 S CA 0.497 58.771 58.200 0.124 0.000 0.920 460 S CB 0.380 63.623 63.200 0.071 0.000 0.773 460 S HN 0.628 nan 8.310 nan 0.000 0.529 461 G N 0.513 109.341 108.800 0.047 0.000 2.306 461 G HA2 0.017 3.977 3.960 -0.000 0.000 0.262 461 G HA3 0.017 3.977 3.960 -0.000 0.000 0.262 461 G C -1.720 173.186 174.900 0.011 0.000 1.263 461 G CA -1.001 44.128 45.100 0.047 0.000 1.088 461 G HN 0.230 nan 8.290 nan 0.000 0.489 462 L N 0.442 121.675 121.223 0.017 0.000 2.371 462 L HA 0.737 5.077 4.340 -0.000 0.000 0.262 462 L C 0.923 177.792 176.870 -0.002 0.000 1.006 462 L CA -0.092 54.746 54.840 -0.004 0.000 0.818 462 L CB 1.794 43.851 42.059 -0.004 0.000 1.354 462 L HN 2.569 nan 8.230 nan 0.000 0.415 463 G N 1.515 110.306 108.800 -0.016 0.000 2.828 463 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.463 463 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.463 463 G C -1.184 173.722 174.900 0.010 0.000 1.394 463 G CA -0.803 44.293 45.100 -0.007 0.000 0.862 463 G HN 0.500 nan 8.290 nan 0.000 0.540 464 R N 0.389 120.916 120.500 0.045 0.000 2.686 464 R HA 0.563 4.903 4.340 -0.000 0.000 0.283 464 R C -0.492 175.917 176.300 0.182 0.000 0.978 464 R CA -0.686 55.469 56.100 0.091 0.000 0.897 464 R CB 1.875 32.194 30.300 0.032 0.000 1.192 464 R HN 0.742 nan 8.270 nan 0.000 0.457 465 E N 0.371 120.713 120.200 0.237 0.000 2.222 465 E HA 0.605 4.955 4.350 -0.000 0.000 0.267 465 E C -0.239 176.570 176.600 0.348 0.000 0.884 465 E CA -0.606 55.949 56.400 0.258 0.000 0.764 465 E CB 2.282 32.055 29.700 0.122 0.000 1.169 465 E HN 0.797 nan 8.360 nan 0.000 0.413 466 G N 2.145 111.277 108.800 0.554 0.000 2.712 466 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.683 466 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.683 466 G C -0.088 174.991 174.900 0.299 0.000 1.320 466 G CA -0.300 45.111 45.100 0.520 0.000 0.847 466 G HN 1.518 nan 8.290 nan 0.000 0.553 467 S N -2.160 113.479 115.700 -0.102 0.000 3.654 467 S HA -0.255 4.215 4.470 -0.000 0.000 0.640 467 S C 1.351 176.232 174.600 0.467 0.000 2.223 467 S CA 1.515 59.750 58.200 0.058 0.000 2.391 467 S CB -1.134 62.105 63.200 0.065 0.000 0.328 467 S HN 2.783 nan 8.310 nan 0.000 1.790 468 H N 0.725 120.007 119.070 0.353 0.000 2.456 468 H HA -0.109 4.447 4.556 -0.000 0.000 0.296 468 H C 1.705 177.106 175.328 0.122 0.000 1.079 468 H CA 1.999 58.136 56.048 0.149 0.000 1.322 468 H CB -0.568 29.155 29.762 -0.065 0.000 1.388 468 H HN 0.707 nan 8.280 nan 0.000 0.538 469 Y N 1.763 121.950 120.300 -0.188 0.000 2.242 469 Y HA 0.019 4.569 4.550 -0.000 0.000 0.291 469 Y C 3.063 179.074 175.900 0.185 0.000 1.137 469 Y CA 1.167 59.237 58.100 -0.050 0.000 1.181 469 Y CB -0.625 37.747 38.460 -0.147 0.000 0.989 469 Y HN 0.385 nan 8.280 nan 0.000 0.527 470 G N -0.741 108.342 108.800 0.471 0.000 2.653 470 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.212 470 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.212 470 G C 1.477 176.705 174.900 0.547 0.000 1.138 470 G CA 0.610 46.029 45.100 0.532 0.000 0.782 470 G HN 0.503 nan 8.290 nan 0.000 0.535 471 I N -1.057 119.836 120.570 0.538 0.000 3.939 471 I HA 0.097 4.267 4.170 -0.000 0.000 0.313 471 I C 1.515 177.854 176.117 0.369 0.000 1.274 471 I CA 0.094 61.669 61.300 0.458 0.000 1.301 471 I CB 0.307 38.571 38.000 0.441 0.000 1.105 471 I HN -0.075 nan 8.210 nan 0.000 0.427 472 D N 1.425 122.004 120.400 0.299 0.000 2.158 472 D HA -0.229 4.411 4.640 -0.000 0.000 0.197 472 D C 1.352 177.744 176.300 0.153 0.000 0.995 472 D CA 1.409 55.539 54.000 0.217 0.000 0.846 472 D CB -0.113 40.815 40.800 0.214 0.000 0.941 472 D HN 0.389 nan 8.370 nan 0.000 0.456 473 D N -0.636 119.825 120.400 0.102 0.000 2.312 473 D HA -0.112 4.528 4.640 -0.000 0.000 0.211 473 D C 1.306 177.496 176.300 -0.185 0.000 0.964 473 D CA 0.497 54.450 54.000 -0.079 0.000 0.877 473 D CB -0.044 40.638 40.800 -0.198 0.000 0.924 473 D HN 0.405 nan 8.370 nan 0.000 0.515 474 Y N 0.188 120.519 120.300 0.051 0.000 2.466 474 Y HA 0.066 4.616 4.550 -0.000 0.000 0.272 474 Y C 0.876 176.814 175.900 0.063 0.000 1.169 474 Y CA -0.269 57.853 58.100 0.036 0.000 1.285 474 Y CB 0.480 38.954 38.460 0.023 0.000 1.078 474 Y HN -0.222 nan 8.280 nan 0.000 0.523 475 V N -2.618 117.409 119.914 0.188 0.000 2.769 475 V HA 0.694 4.814 4.120 -0.000 0.000 0.312 475 V C -0.625 175.539 176.094 0.116 0.000 1.061 475 V CA -1.344 61.053 62.300 0.162 0.000 0.931 475 V CB 1.778 33.700 31.823 0.165 0.000 1.010 475 V HN -0.267 nan 8.190 nan 0.000 0.433 476 V N 4.873 124.858 119.914 0.118 0.000 2.732 476 V HA 0.666 4.786 4.120 -0.000 0.000 0.310 476 V C -0.138 176.016 176.094 0.099 0.000 1.053 476 V CA -0.705 61.653 62.300 0.098 0.000 0.957 476 V CB 1.779 33.661 31.823 0.098 0.000 1.018 476 V HN 1.074 nan 8.190 nan 0.000 0.452 477 I N 3.971 124.594 120.570 0.088 0.000 2.377 477 I HA 0.599 4.769 4.170 -0.000 0.000 0.293 477 I C -0.586 175.590 176.117 0.098 0.000 0.987 477 I CA -0.488 60.866 61.300 0.090 0.000 1.185 477 I CB 1.161 39.210 38.000 0.082 0.000 1.341 477 I HN 0.674 nan 8.210 nan 0.000 0.455 478 K N 6.334 126.795 120.400 0.102 0.000 2.307 478 K HA 0.266 4.586 4.320 -0.000 0.000 0.263 478 K C -1.697 174.999 176.600 0.159 0.000 0.973 478 K CA -0.721 55.631 56.287 0.108 0.000 0.846 478 K CB 1.123 33.667 32.500 0.074 0.000 1.100 478 K HN 0.675 nan 8.250 nan 0.000 0.438 479 Y N 6.054 126.369 120.300 0.025 0.000 2.350 479 Y HA 0.335 4.885 4.550 -0.000 0.000 0.340 479 Y C -1.417 174.492 175.900 0.016 0.000 1.006 479 Y CA -0.976 57.135 58.100 0.020 0.000 1.166 479 Y CB 0.478 38.950 38.460 0.019 0.000 1.168 479 Y HN 0.440 nan 8.280 nan 0.000 0.502 480 L N 7.311 128.504 121.223 -0.051 0.000 2.296 480 L HA 0.397 4.737 4.340 -0.000 0.000 0.286 480 L C -0.555 176.122 176.870 -0.322 0.000 1.023 480 L CA -0.780 53.918 54.840 -0.236 0.000 0.812 480 L CB 1.488 43.511 42.059 -0.061 0.000 1.223 480 L HN 0.733 nan 8.230 nan 0.000 0.421 481 C N 5.206 124.220 119.300 -0.477 0.000 2.206 481 C HA 0.530 4.990 4.460 -0.000 0.000 0.324 481 C C 0.276 175.206 174.990 -0.099 0.000 1.120 481 C CA -0.522 58.354 59.018 -0.237 0.000 1.546 481 C CB -0.377 27.188 27.740 -0.293 0.000 2.023 481 C HN 0.571 nan 8.230 nan 0.000 0.448 482 V N 6.699 126.594 119.914 -0.031 0.000 2.408 482 V HA 0.503 4.623 4.120 -0.000 0.000 0.267 482 V C 0.989 177.081 176.094 -0.003 0.000 1.047 482 V CA -0.049 62.239 62.300 -0.019 0.000 0.937 482 V CB 0.667 32.487 31.823 -0.006 0.000 0.999 482 V HN 0.997 nan 8.190 nan 0.000 0.472 483 A N 4.921 127.736 122.820 -0.010 0.000 2.316 483 A HA 0.834 5.154 4.320 -0.000 0.000 0.284 483 A C -0.244 177.340 177.584 0.000 0.000 1.115 483 A CA -0.267 51.769 52.037 -0.002 0.000 0.812 483 A CB 1.459 20.456 19.000 -0.006 0.000 1.064 483 A HN 1.048 nan 8.150 nan 0.000 0.489 484 V N 0.000 119.916 119.914 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 62.302 62.300 0.003 0.000 1.235 484 V CB 0.000 31.825 31.823 0.004 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556