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 2h12_1_C DATA FIRST_RESID 11 DATA SEQUENCE STATISVDGK SAEMPVLSGT LGPDVIDIRK LPAQLGVFTF DPGYGETAAC DATA SEQUENCE NSKITFIDGD KGVLLHRGYP IAQLAENASY EEVIYLLLNG ELPNKAQYDT DATA SEQUENCE FTNTLTNHTL LHEQIRNFFN GFRRDAHPMA ILCGTVGALS AFYPDANDIA DATA SEQUENCE IPANRDLAAM RLIAKIPTIA AWAYKYTQGE AFIYPRNDLN YAENFLSMMF DATA SEQUENCE ARMSEPYKVN PVLARAMNRI LILHADHEQN ASTSTVRLAG STGANPFACI DATA SEQUENCE AAGIAALWGP AHGGANEAVL KMLARIGKKE NIPAFIAQVK DKNSGVKLMG DATA SEQUENCE FGHRVYKNFD PRAKIMQQTC HEVLTELGIK DDPLLDLAVE LEKIALSDDY DATA SEQUENCE FVQRKLYPNV DFYSGIILKA MGIPTSMFTV LFAVARTTGW VSQWKEMIEE DATA SEQUENCE PGQRISRPRQ LYIGAPQRDY VPLAKR 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.601 174.600 0.002 0.000 1.055 11 S CA 0.000 58.200 58.200 0.000 0.000 1.107 11 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 12 T N 0.897 115.453 114.554 0.003 0.000 2.883 12 T HA 0.950 5.300 4.350 -0.000 0.000 0.296 12 T C -0.359 174.345 174.700 0.007 0.000 1.117 12 T CA -0.408 61.696 62.100 0.005 0.000 1.006 12 T CB 1.565 70.436 68.868 0.005 0.000 1.191 12 T HN 1.338 nan 8.240 nan 0.000 0.508 13 A N 0.797 123.622 122.820 0.009 0.000 2.423 13 A HA 0.866 5.186 4.320 -0.000 0.000 0.304 13 A C -0.323 177.267 177.584 0.010 0.000 1.104 13 A CA -0.929 51.114 52.037 0.010 0.000 0.757 13 A CB 1.598 20.606 19.000 0.013 0.000 1.313 13 A HN 0.911 nan 8.150 nan 0.000 0.423 14 T N 1.402 115.962 114.554 0.010 0.000 2.807 14 T HA 0.615 4.965 4.350 -0.000 0.000 0.279 14 T C -0.598 174.109 174.700 0.011 0.000 0.993 14 T CA 0.016 62.122 62.100 0.010 0.000 0.970 14 T CB 0.622 69.494 68.868 0.007 0.000 0.950 14 T HN 0.431 nan 8.240 nan 0.000 0.441 15 I N 2.265 122.842 120.570 0.012 0.000 2.436 15 I HA 0.440 4.610 4.170 -0.000 0.000 0.289 15 I C -0.152 175.970 176.117 0.008 0.000 1.010 15 I CA -0.660 60.648 61.300 0.013 0.000 1.098 15 I CB 1.974 39.985 38.000 0.019 0.000 1.266 15 I HN 0.506 nan 8.210 nan 0.000 0.434 16 S N 5.451 121.154 115.700 0.006 0.000 2.502 16 S HA 0.766 5.236 4.470 -0.000 0.000 0.304 16 S C -0.551 174.049 174.600 -0.000 0.000 1.097 16 S CA -0.679 57.522 58.200 0.002 0.000 1.045 16 S CB 2.178 65.379 63.200 0.001 0.000 1.019 16 S HN 0.477 nan 8.310 nan 0.000 0.481 17 V N -0.419 119.492 119.914 -0.005 0.000 2.932 17 V HA 0.670 4.790 4.120 -0.000 0.000 0.307 17 V C -0.404 175.682 176.094 -0.013 0.000 1.147 17 V CA -1.072 61.222 62.300 -0.009 0.000 0.951 17 V CB 1.602 33.417 31.823 -0.013 0.000 1.031 17 V HN 0.768 nan 8.190 nan 0.000 0.426 18 D N 2.275 122.666 120.400 -0.015 0.000 2.751 18 D HA -0.110 4.530 4.640 -0.000 0.000 0.233 18 D C 1.453 177.745 176.300 -0.013 0.000 1.149 18 D CA 2.570 56.560 54.000 -0.016 0.000 0.682 18 D CB -1.179 39.608 40.800 -0.021 0.000 1.068 18 D HN 2.354 nan 8.370 nan 0.000 0.429 19 G N -0.640 108.154 108.800 -0.010 0.000 2.245 19 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.264 19 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.264 19 G C 0.420 175.315 174.900 -0.007 0.000 0.985 19 G CA 0.904 45.999 45.100 -0.008 0.000 0.625 19 G HN 0.707 nan 8.290 nan 0.000 0.536 20 K N 0.896 121.291 120.400 -0.009 0.000 2.138 20 K HA 0.630 4.950 4.320 -0.000 0.000 0.263 20 K C 0.225 176.822 176.600 -0.006 0.000 0.965 20 K CA 0.106 56.389 56.287 -0.008 0.000 0.868 20 K CB 1.141 33.634 32.500 -0.011 0.000 1.083 20 K HN 0.467 nan 8.250 nan 0.000 0.443 21 S N 1.362 117.060 115.700 -0.003 0.000 2.599 21 S HA 0.887 5.357 4.470 -0.000 0.000 0.294 21 S C -1.216 173.384 174.600 0.001 0.000 1.094 21 S CA -0.941 57.258 58.200 -0.001 0.000 0.931 21 S CB 1.970 65.171 63.200 0.001 0.000 1.093 21 S HN 0.715 nan 8.310 nan 0.000 0.488 22 A N 1.024 123.846 122.820 0.003 0.000 2.572 22 A HA 0.774 5.094 4.320 -0.000 0.000 0.295 22 A C -1.205 176.383 177.584 0.007 0.000 1.072 22 A CA -0.790 51.250 52.037 0.005 0.000 0.691 22 A CB 1.343 20.347 19.000 0.006 0.000 1.291 22 A HN 0.722 nan 8.150 nan 0.000 0.404 23 E N 1.544 121.749 120.200 0.007 0.000 2.231 23 E HA 0.543 4.893 4.350 -0.000 0.000 0.277 23 E C -0.721 175.886 176.600 0.011 0.000 0.999 23 E CA -0.364 56.041 56.400 0.008 0.000 0.827 23 E CB 1.380 31.084 29.700 0.006 0.000 1.101 23 E HN 0.561 nan 8.360 nan 0.000 0.393 24 M N 2.489 122.097 119.600 0.012 0.000 2.465 24 M HA 0.427 4.907 4.480 -0.000 0.000 0.316 24 M C -2.456 173.852 176.300 0.012 0.000 1.121 24 M CA -2.767 52.541 55.300 0.015 0.000 0.934 24 M CB 1.286 33.898 32.600 0.019 0.000 1.692 24 M HN -0.070 nan 8.290 nan 0.000 0.444 25 P HA 0.241 nan 4.420 nan 0.000 0.271 25 P C -0.705 176.600 177.300 0.009 0.000 1.218 25 P CA -0.327 62.778 63.100 0.008 0.000 0.780 25 P CB 0.652 32.356 31.700 0.006 0.000 0.901 26 V N 4.400 124.318 119.914 0.006 0.000 2.448 26 V HA 0.356 4.476 4.120 -0.000 0.000 0.295 26 V C 0.071 176.167 176.094 0.003 0.000 1.025 26 V CA -0.486 61.818 62.300 0.007 0.000 0.859 26 V CB 1.202 33.029 31.823 0.007 0.000 0.988 26 V HN 0.333 nan 8.190 nan 0.000 0.431 27 L N 3.523 124.748 121.223 0.004 0.000 2.334 27 L HA 0.663 5.003 4.340 -0.000 0.000 0.276 27 L C 0.087 176.956 176.870 -0.001 0.000 1.014 27 L CA -0.274 54.566 54.840 -0.000 0.000 0.815 27 L CB 2.085 44.144 42.059 -0.000 0.000 1.268 27 L HN 0.530 nan 8.230 nan 0.000 0.428 28 S N 0.211 115.907 115.700 -0.007 0.000 2.537 28 S HA 0.739 5.209 4.470 -0.000 0.000 0.301 28 S C 0.127 174.716 174.600 -0.018 0.000 1.092 28 S CA -0.600 57.594 58.200 -0.011 0.000 1.048 28 S CB 1.975 65.165 63.200 -0.016 0.000 1.053 28 S HN 0.783 nan 8.310 nan 0.000 0.501 29 G N 0.513 109.300 108.800 -0.022 0.000 2.552 29 G HA2 0.424 4.384 3.960 -0.000 0.000 0.318 29 G HA3 0.424 4.384 3.960 -0.000 0.000 0.318 29 G C 0.724 175.579 174.900 -0.074 0.000 1.240 29 G CA -0.485 44.594 45.100 -0.035 0.000 1.002 29 G HN 0.578 nan 8.290 nan 0.000 0.493 30 T N -0.519 113.972 114.554 -0.105 0.000 2.788 30 T HA 0.044 4.394 4.350 -0.000 0.000 0.268 30 T C 0.751 175.313 174.700 -0.230 0.000 1.044 30 T CA 1.060 63.070 62.100 -0.150 0.000 1.139 30 T CB -0.313 68.456 68.868 -0.165 0.000 0.867 30 T HN 0.163 nan 8.240 nan 0.000 0.454 31 L N -1.635 119.391 121.223 -0.328 0.000 2.479 31 L HA 0.635 4.975 4.340 -0.000 0.000 0.255 31 L C 0.229 176.958 176.870 -0.235 0.000 1.026 31 L CA -0.738 53.801 54.840 -0.502 0.000 0.842 31 L CB 2.144 43.425 42.059 -1.297 0.000 1.444 31 L HN 0.362 nan 8.230 nan 0.000 0.409 32 G N 0.920 109.721 108.800 0.003 0.000 2.712 32 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.683 32 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.683 32 G C -2.986 171.977 174.900 0.106 0.000 1.320 32 G CA -1.081 44.173 45.100 0.257 0.000 0.847 32 G HN 0.450 nan 8.290 nan 0.000 0.553 33 P HA 0.392 nan 4.420 nan 0.000 0.271 33 P C -0.260 177.061 177.300 0.036 0.000 1.233 33 P CA -0.347 62.784 63.100 0.052 0.000 0.789 33 P CB 0.398 32.125 31.700 0.045 0.000 0.951 34 D N -0.818 119.596 120.400 0.024 0.000 2.354 34 D HA 0.370 5.010 4.640 -0.000 0.000 0.247 34 D C -0.475 175.836 176.300 0.019 0.000 1.138 34 D CA -0.080 53.929 54.000 0.016 0.000 0.958 34 D CB 0.713 41.520 40.800 0.011 0.000 1.144 34 D HN 0.161 nan 8.370 nan 0.000 0.458 35 V N -1.881 118.042 119.914 0.016 0.000 2.925 35 V HA 0.572 4.692 4.120 -0.000 0.000 0.311 35 V C -0.391 175.713 176.094 0.016 0.000 1.104 35 V CA -0.978 61.332 62.300 0.017 0.000 0.954 35 V CB 1.700 33.533 31.823 0.017 0.000 1.022 35 V HN 0.380 nan 8.190 nan 0.000 0.427 36 I N 2.888 123.470 120.570 0.020 0.000 2.297 36 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 36 I C -0.193 175.938 176.117 0.023 0.000 1.033 36 I CA -0.096 61.217 61.300 0.021 0.000 1.253 36 I CB 1.101 39.116 38.000 0.025 0.000 1.396 36 I HN 0.722 nan 8.210 nan 0.000 0.476 37 D N 7.895 128.306 120.400 0.019 0.000 2.342 37 D HA 0.079 4.719 4.640 -0.000 0.000 0.260 37 D C 0.764 177.080 176.300 0.027 0.000 1.278 37 D CA -0.058 53.954 54.000 0.020 0.000 0.910 37 D CB 0.672 41.481 40.800 0.014 0.000 1.079 37 D HN 0.543 nan 8.370 nan 0.000 0.496 38 I N 0.703 121.294 120.570 0.036 0.000 3.891 38 I HA 0.248 4.418 4.170 -0.000 0.000 0.331 38 I C 1.497 177.647 176.117 0.055 0.000 1.406 38 I CA -0.632 60.697 61.300 0.049 0.000 1.139 38 I CB 0.178 38.217 38.000 0.064 0.000 1.056 38 I HN 0.051 nan 8.210 nan 0.000 0.399 39 R N 1.873 122.397 120.500 0.041 0.000 2.159 39 R HA -0.053 4.287 4.340 -0.000 0.000 0.237 39 R C 1.309 177.639 176.300 0.050 0.000 1.131 39 R CA 1.283 57.408 56.100 0.042 0.000 0.982 39 R CB -0.090 30.225 30.300 0.026 0.000 0.868 39 R HN 0.468 nan 8.270 nan 0.000 0.453 40 K N 0.027 120.454 120.400 0.044 0.000 2.373 40 K HA 0.053 4.373 4.320 -0.000 0.000 0.202 40 K C 1.204 177.832 176.600 0.047 0.000 1.025 40 K CA -0.232 56.080 56.287 0.042 0.000 1.115 40 K CB 0.381 32.898 32.500 0.028 0.000 0.858 40 K HN -0.021 nan 8.250 nan 0.000 0.525 41 L N 2.379 123.638 121.223 0.061 0.000 2.013 41 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 41 L C -1.212 175.685 176.870 0.045 0.000 1.073 41 L CA 2.127 57.002 54.840 0.058 0.000 0.753 41 L CB -0.696 41.413 42.059 0.083 0.000 0.890 41 L HN 0.035 nan 8.230 nan 0.000 0.432 42 P HA -0.110 nan 4.420 nan 0.000 0.216 42 P C 1.535 178.835 177.300 0.000 0.000 1.153 42 P CA 1.950 65.060 63.100 0.018 0.000 0.848 42 P CB -0.201 31.574 31.700 0.124 0.000 0.787 43 A N -0.435 122.401 122.820 0.027 0.000 1.933 43 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 43 A C 2.181 179.767 177.584 0.004 0.000 1.175 43 A CA 1.577 53.623 52.037 0.015 0.000 0.628 43 A CB -1.153 17.861 19.000 0.023 0.000 0.814 43 A HN 0.213 nan 8.150 nan 0.000 0.444 44 Q N -1.097 118.707 119.800 0.006 0.000 2.123 44 Q HA 0.187 4.527 4.340 -0.000 0.000 0.196 44 Q C 1.220 177.215 176.000 -0.008 0.000 0.958 44 Q CA 1.047 56.851 55.803 0.001 0.000 0.841 44 Q CB 0.023 28.766 28.738 0.008 0.000 0.915 44 Q HN 0.612 nan 8.270 nan 0.000 0.455 45 L N -1.553 119.660 121.223 -0.016 0.000 3.086 45 L HA 0.352 4.692 4.340 -0.000 0.000 0.274 45 L C 0.689 177.524 176.870 -0.057 0.000 1.184 45 L CA 0.090 54.913 54.840 -0.028 0.000 1.002 45 L CB 0.961 43.008 42.059 -0.019 0.000 1.383 45 L HN 0.351 nan 8.230 nan 0.000 0.582 46 G N 1.622 110.376 108.800 -0.076 0.000 2.179 46 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.257 46 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.257 46 G C 0.137 174.898 174.900 -0.231 0.000 1.010 46 G CA 0.539 45.560 45.100 -0.132 0.000 0.736 46 G HN 0.329 nan 8.290 nan 0.000 0.513 47 V N -4.011 115.767 119.914 -0.227 0.000 3.158 47 V HA 0.964 5.084 4.120 -0.000 0.000 0.311 47 V C 0.018 175.953 176.094 -0.265 0.000 1.181 47 V CA -2.056 60.065 62.300 -0.299 0.000 1.054 47 V CB 1.845 33.600 31.823 -0.113 0.000 1.085 47 V HN 0.296 nan 8.190 nan 0.000 0.446 48 F N -0.371 119.610 119.950 0.052 0.000 2.639 48 F HA 0.780 5.307 4.527 0.000 0.000 0.339 48 F C 0.833 176.682 175.800 0.082 0.000 1.071 48 F CA -0.567 57.472 58.000 0.065 0.000 0.994 48 F CB 2.310 41.358 39.000 0.080 0.000 1.341 48 F HN 0.819 nan 8.300 nan 0.000 0.498 49 T N -1.696 113.045 114.554 0.311 0.000 2.881 49 T HA 0.501 4.851 4.350 -0.000 0.000 0.278 49 T C -1.212 173.656 174.700 0.280 0.000 0.982 49 T CA -0.494 61.740 62.100 0.223 0.000 0.989 49 T CB 1.716 70.672 68.868 0.147 0.000 1.058 49 T HN 0.410 nan 8.240 nan 0.000 0.529 50 F N 1.183 121.175 119.950 0.069 0.000 2.496 50 F HA 0.538 5.065 4.527 0.000 0.000 0.341 50 F C -1.009 174.792 175.800 0.002 0.000 1.134 50 F CA -1.066 56.956 58.000 0.036 0.000 0.968 50 F CB 1.544 40.564 39.000 0.034 0.000 1.205 50 F HN 0.673 nan 8.300 nan 0.000 0.436 51 D N 7.882 128.008 120.400 -0.457 0.000 2.849 51 D HA 0.267 4.907 4.640 -0.000 0.000 0.314 51 D C -2.733 173.224 176.300 -0.571 0.000 1.210 51 D CA -1.563 52.199 54.000 -0.396 0.000 0.756 51 D CB 0.839 41.557 40.800 -0.138 0.000 1.222 51 D HN 0.150 nan 8.370 nan 0.000 0.521 52 P HA 0.224 nan 4.420 nan 0.000 0.264 52 P C 1.061 178.096 177.300 -0.441 0.000 1.193 52 P CA 0.733 63.450 63.100 -0.638 0.000 0.763 52 P CB 1.216 32.580 31.700 -0.559 0.000 0.810 53 G N 2.865 111.383 108.800 -0.470 0.000 2.234 53 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.235 53 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.235 53 G C 0.493 175.340 174.900 -0.089 0.000 0.997 53 G CA 0.196 45.160 45.100 -0.227 0.000 0.623 53 G HN 0.463 nan 8.290 nan 0.000 0.514 54 Y N -1.407 118.829 120.300 -0.108 0.000 4.851 54 Y HA -0.311 4.239 4.550 -0.000 0.000 0.235 54 Y C 2.330 178.191 175.900 -0.064 0.000 0.998 54 Y CA 1.111 59.160 58.100 -0.084 0.000 1.980 54 Y CB -1.676 36.742 38.460 -0.070 0.000 1.561 54 Y HN 0.922 nan 8.280 nan 0.000 0.585 55 G N -0.006 108.826 108.800 0.052 0.000 2.527 55 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.219 55 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.219 55 G C 1.043 175.956 174.900 0.023 0.000 1.117 55 G CA 1.414 46.530 45.100 0.027 0.000 0.759 55 G HN 0.480 nan 8.290 nan 0.000 0.556 56 E N -0.489 119.727 120.200 0.026 0.000 2.603 56 E HA 0.202 4.552 4.350 -0.000 0.000 0.211 56 E C -0.075 176.547 176.600 0.036 0.000 0.995 56 E CA 0.004 56.419 56.400 0.024 0.000 0.990 56 E CB 1.029 30.739 29.700 0.018 0.000 1.036 56 E HN 0.094 nan 8.360 nan 0.000 0.475 57 T N 0.940 115.527 114.554 0.055 0.000 2.786 57 T HA 0.638 4.988 4.350 -0.000 0.000 0.283 57 T C -0.332 174.385 174.700 0.028 0.000 0.992 57 T CA -0.746 61.388 62.100 0.057 0.000 0.954 57 T CB 1.483 70.417 68.868 0.110 0.000 0.934 57 T HN 0.095 nan 8.240 nan 0.000 0.440 58 A N 2.269 125.098 122.820 0.014 0.000 2.347 58 A HA 0.644 4.963 4.320 -0.000 0.000 0.287 58 A C 1.336 178.908 177.584 -0.020 0.000 1.199 58 A CA -0.497 51.538 52.037 -0.002 0.000 0.851 58 A CB 0.049 19.052 19.000 0.005 0.000 1.118 58 A HN 1.011 nan 8.150 nan 0.000 0.525 59 A N 1.914 124.705 122.820 -0.048 0.000 2.178 59 A HA 0.391 4.711 4.320 -0.000 0.000 0.211 59 A C 0.966 178.515 177.584 -0.059 0.000 1.157 59 A CA 1.116 53.105 52.037 -0.080 0.000 0.780 59 A CB -0.964 17.948 19.000 -0.148 0.000 0.828 59 A HN 1.963 nan 8.150 nan 0.000 0.476 60 C N -3.209 116.069 119.300 -0.038 0.000 3.216 60 C HA 0.547 5.007 4.460 -0.000 0.000 0.346 60 C C -1.224 173.756 174.990 -0.017 0.000 1.384 60 C CA -1.551 57.449 59.018 -0.030 0.000 1.208 60 C CB 0.484 28.203 27.740 -0.035 0.000 1.483 60 C HN 0.225 nan 8.230 nan 0.000 0.453 61 N N 0.887 119.577 118.700 -0.017 0.000 2.492 61 N HA 0.779 5.519 4.740 -0.000 0.000 0.289 61 N C -0.699 174.807 175.510 -0.006 0.000 1.133 61 N CA 0.133 53.177 53.050 -0.009 0.000 0.961 61 N CB 1.841 40.319 38.487 -0.016 0.000 1.186 61 N HN 0.945 nan 8.380 nan 0.000 0.493 62 S N -0.372 115.331 115.700 0.006 0.000 2.552 62 S HA 0.354 4.824 4.470 -0.000 0.000 0.272 62 S C -0.692 173.921 174.600 0.022 0.000 1.150 62 S CA -0.641 57.567 58.200 0.013 0.000 0.849 62 S CB 0.919 64.135 63.200 0.026 0.000 1.113 62 S HN 0.531 nan 8.310 nan 0.000 0.458 63 K N 2.675 123.086 120.400 0.020 0.000 2.483 63 K HA 0.366 4.686 4.320 -0.000 0.000 0.206 63 K C 0.974 177.600 176.600 0.042 0.000 1.086 63 K CA 0.016 56.315 56.287 0.020 0.000 1.052 63 K CB 0.343 32.842 32.500 -0.001 0.000 0.904 63 K HN 0.509 nan 8.250 nan 0.000 0.557 64 I N 0.641 121.246 120.570 0.058 0.000 2.206 64 I HA -0.074 4.096 4.170 -0.000 0.000 0.239 64 I C 0.577 176.784 176.117 0.151 0.000 1.078 64 I CA 1.086 62.438 61.300 0.086 0.000 1.367 64 I CB 0.239 38.284 38.000 0.075 0.000 1.078 64 I HN -0.086 nan 8.210 nan 0.000 0.413 65 T N 0.818 115.465 114.554 0.156 0.000 2.893 65 T HA 0.423 4.773 4.350 -0.000 0.000 0.293 65 T C -1.275 173.504 174.700 0.132 0.000 1.027 65 T CA -0.277 61.938 62.100 0.191 0.000 0.988 65 T CB 2.278 71.288 68.868 0.237 0.000 1.043 65 T HN -0.032 nan 8.240 nan 0.000 0.461 66 F N 3.687 123.615 119.950 -0.037 0.000 2.495 66 F HA 0.795 5.322 4.527 -0.000 0.000 0.327 66 F C -1.482 174.258 175.800 -0.101 0.000 1.103 66 F CA -1.413 56.548 58.000 -0.066 0.000 0.949 66 F CB 0.784 39.751 39.000 -0.054 0.000 1.142 66 F HN 0.437 nan 8.300 nan 0.000 0.457 67 I N 5.290 125.136 120.570 -1.208 0.000 2.466 67 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 67 I C -1.320 174.021 176.117 -1.294 0.000 1.026 67 I CA -0.742 59.956 61.300 -1.004 0.000 1.078 67 I CB 1.911 39.474 38.000 -0.729 0.000 1.249 67 I HN 0.463 nan 8.210 nan 0.000 0.429 68 D N 4.991 124.917 120.400 -0.791 0.000 2.454 68 D HA 0.243 4.883 4.640 -0.000 0.000 0.225 68 D C 0.990 177.189 176.300 -0.169 0.000 1.081 68 D CA -0.277 53.505 54.000 -0.364 0.000 0.864 68 D CB 1.933 42.744 40.800 0.019 0.000 1.040 68 D HN 0.755 nan 8.370 nan 0.000 0.517 69 G N 3.229 111.910 108.800 -0.199 0.000 2.422 69 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 69 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 69 G C 1.121 176.034 174.900 0.021 0.000 1.146 69 G CA 0.384 45.420 45.100 -0.107 0.000 0.769 69 G HN 0.437 nan 8.290 nan 0.000 0.547 70 D N 0.522 120.922 120.400 -0.001 0.000 2.183 70 D HA -0.005 4.635 4.640 -0.000 0.000 0.203 70 D C 2.332 178.634 176.300 0.003 0.000 0.969 70 D CA 0.807 54.811 54.000 0.007 0.000 0.842 70 D CB -0.028 40.781 40.800 0.016 0.000 0.957 70 D HN 0.319 nan 8.370 nan 0.000 0.484 71 K N -0.450 119.963 120.400 0.022 0.000 2.379 71 K HA 0.201 4.521 4.320 -0.000 0.000 0.194 71 K C 0.888 177.501 176.600 0.021 0.000 1.031 71 K CA 0.434 56.737 56.287 0.026 0.000 1.037 71 K CB 0.798 33.329 32.500 0.051 0.000 0.824 71 K HN 0.065 nan 8.250 nan 0.000 0.516 72 G N 1.910 110.744 108.800 0.057 0.000 2.272 72 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.280 72 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.280 72 G C -0.252 174.678 174.900 0.050 0.000 1.067 72 G CA -0.118 45.008 45.100 0.042 0.000 0.902 72 G HN 0.105 nan 8.290 nan 0.000 0.500 73 V N 0.435 120.414 119.914 0.107 0.000 2.513 73 V HA 0.807 4.927 4.120 -0.000 0.000 0.299 73 V C 0.070 176.198 176.094 0.058 0.000 1.035 73 V CA -0.887 61.457 62.300 0.074 0.000 0.889 73 V CB 1.860 33.745 31.823 0.103 0.000 0.988 73 V HN 0.605 nan 8.190 nan 0.000 0.440 74 L N 6.394 127.640 121.223 0.039 0.000 2.406 74 L HA 0.699 5.039 4.340 -0.000 0.000 0.272 74 L C -1.230 175.585 176.870 -0.091 0.000 0.980 74 L CA 0.052 54.875 54.840 -0.029 0.000 0.831 74 L CB 1.510 43.594 42.059 0.042 0.000 1.253 74 L HN 0.541 nan 8.230 nan 0.000 0.406 75 L N 4.548 125.712 121.223 -0.098 0.000 2.381 75 L HA 0.580 4.920 4.340 -0.000 0.000 0.268 75 L C -1.057 175.747 176.870 -0.110 0.000 0.997 75 L CA -0.898 53.910 54.840 -0.052 0.000 0.818 75 L CB 2.034 44.157 42.059 0.107 0.000 1.310 75 L HN 0.527 nan 8.230 nan 0.000 0.416 76 H N 4.493 123.653 119.070 0.151 0.000 2.708 76 H HA 0.369 4.925 4.556 -0.000 0.000 0.320 76 H C -0.263 175.162 175.328 0.160 0.000 0.991 76 H CA -0.625 55.510 56.048 0.146 0.000 1.243 76 H CB 1.487 31.341 29.762 0.153 0.000 1.446 76 H HN 0.450 nan 8.280 nan 0.000 0.502 77 R N 1.996 122.622 120.500 0.209 0.000 3.516 77 R HA -0.212 4.128 4.340 -0.000 0.000 0.271 77 R C 1.116 177.372 176.300 -0.074 0.000 1.098 77 R CA 0.902 57.063 56.100 0.102 0.000 0.732 77 R CB -2.270 28.133 30.300 0.172 0.000 1.152 77 R HN 1.172 nan 8.270 nan 0.000 0.455 78 G N -1.901 106.854 108.800 -0.075 0.000 2.268 78 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.240 78 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.240 78 G C -0.098 174.656 174.900 -0.243 0.000 1.010 78 G CA 0.320 45.288 45.100 -0.220 0.000 0.618 78 G HN 0.323 nan 8.290 nan 0.000 0.516 79 Y N 2.077 122.410 120.300 0.056 0.000 2.336 79 Y HA 0.505 5.055 4.550 0.000 0.000 0.335 79 Y C -1.860 174.059 175.900 0.032 0.000 1.046 79 Y CA -2.328 55.800 58.100 0.047 0.000 1.198 79 Y CB 0.834 39.332 38.460 0.064 0.000 1.182 79 Y HN -0.007 nan 8.280 nan 0.000 0.502 80 P HA -0.027 nan 4.420 nan 0.000 0.268 80 P C 0.831 178.175 177.300 0.074 0.000 1.205 80 P CA 0.024 63.172 63.100 0.080 0.000 0.771 80 P CB 0.810 32.550 31.700 0.066 0.000 0.858 81 I N 4.063 124.641 120.570 0.014 0.000 2.264 81 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 81 I C 1.909 178.053 176.117 0.045 0.000 1.111 81 I CA 1.823 63.145 61.300 0.038 0.000 1.382 81 I CB -0.746 37.254 38.000 0.001 0.000 1.060 81 I HN 0.390 nan 8.210 nan 0.000 0.418 82 A N -0.491 122.341 122.820 0.021 0.000 1.933 82 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 82 A C 2.245 179.841 177.584 0.021 0.000 1.175 82 A CA 1.894 53.937 52.037 0.010 0.000 0.628 82 A CB -0.672 18.325 19.000 -0.005 0.000 0.814 82 A HN 0.644 nan 8.150 nan 0.000 0.444 83 Q N -0.630 119.193 119.800 0.038 0.000 2.172 83 Q HA 0.009 4.349 4.340 -0.000 0.000 0.200 83 Q C 2.018 178.032 176.000 0.024 0.000 0.964 83 Q CA 1.102 56.926 55.803 0.034 0.000 0.855 83 Q CB -0.222 28.552 28.738 0.059 0.000 0.918 83 Q HN 0.686 nan 8.270 nan 0.000 0.444 84 L N -0.093 121.160 121.223 0.049 0.000 2.072 84 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 84 L C 2.498 179.397 176.870 0.048 0.000 1.079 84 L CA 0.817 55.684 54.840 0.044 0.000 0.752 84 L CB -0.552 41.575 42.059 0.113 0.000 0.906 84 L HN 0.167 nan 8.230 nan 0.000 0.436 85 A N 0.037 122.889 122.820 0.054 0.000 1.933 85 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 85 A C 2.191 179.787 177.584 0.021 0.000 1.175 85 A CA 1.972 54.033 52.037 0.039 0.000 0.628 85 A CB -0.367 18.646 19.000 0.022 0.000 0.814 85 A HN 0.397 nan 8.150 nan 0.000 0.444 86 E N 0.223 120.430 120.200 0.011 0.000 2.112 86 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 86 E C 1.542 178.140 176.600 -0.003 0.000 0.979 86 E CA 1.589 57.989 56.400 0.002 0.000 0.814 86 E CB -0.081 29.617 29.700 -0.003 0.000 0.762 86 E HN 0.625 nan 8.360 nan 0.000 0.460 87 N N -0.459 118.236 118.700 -0.008 0.000 2.397 87 N HA 0.194 4.934 4.740 -0.000 0.000 0.190 87 N C -0.197 175.293 175.510 -0.034 0.000 1.099 87 N CA 0.577 53.612 53.050 -0.025 0.000 0.876 87 N CB 0.564 39.027 38.487 -0.039 0.000 1.143 87 N HN 0.110 nan 8.380 nan 0.000 0.468 88 A N 1.411 124.217 122.820 -0.024 0.000 2.286 88 A HA 0.511 4.831 4.320 -0.000 0.000 0.286 88 A C 0.579 178.182 177.584 0.030 0.000 1.097 88 A CA -0.365 51.657 52.037 -0.026 0.000 0.821 88 A CB 0.476 19.457 19.000 -0.032 0.000 1.076 88 A HN 0.202 nan 8.150 nan 0.000 0.490 89 S N 0.322 116.042 115.700 0.034 0.000 2.610 89 S HA 0.272 4.742 4.470 -0.000 0.000 0.273 89 S C 0.665 175.377 174.600 0.187 0.000 1.274 89 S CA -0.202 58.070 58.200 0.120 0.000 1.023 89 S CB 0.377 63.660 63.200 0.138 0.000 0.962 89 S HN 0.774 nan 8.310 nan 0.000 0.523 90 Y N 1.953 122.303 120.300 0.085 0.000 2.256 90 Y HA -0.090 4.460 4.550 -0.000 0.000 0.288 90 Y C 1.927 177.839 175.900 0.021 0.000 1.155 90 Y CA 2.006 60.134 58.100 0.047 0.000 1.203 90 Y CB -0.716 37.784 38.460 0.067 0.000 0.980 90 Y HN 0.861 nan 8.280 nan 0.000 0.530 91 E N 0.058 120.267 120.200 0.015 0.000 2.153 91 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 91 E C 2.077 178.735 176.600 0.097 0.000 0.988 91 E CA 1.508 57.904 56.400 -0.007 0.000 0.811 91 E CB -0.153 29.623 29.700 0.127 0.000 0.746 91 E HN 0.590 nan 8.360 nan 0.000 0.466 92 E N -0.088 120.221 120.200 0.182 0.000 2.106 92 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 92 E C 1.971 178.553 176.600 -0.029 0.000 0.984 92 E CA 1.043 57.490 56.400 0.078 0.000 0.806 92 E CB 0.113 29.798 29.700 -0.025 0.000 0.750 92 E HN 0.089 nan 8.360 nan 0.000 0.458 93 V N 1.218 121.102 119.914 -0.049 0.000 2.548 93 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 93 V C 2.104 178.095 176.094 -0.173 0.000 1.055 93 V CA 1.212 63.472 62.300 -0.066 0.000 1.065 93 V CB -0.298 31.549 31.823 0.040 0.000 0.681 93 V HN 0.262 nan 8.190 nan 0.000 0.462 94 I N -0.976 119.402 120.570 -0.320 0.000 2.202 94 I HA -0.266 3.903 4.170 -0.000 0.000 0.242 94 I C 2.428 178.416 176.117 -0.214 0.000 1.091 94 I CA 1.959 63.074 61.300 -0.309 0.000 1.368 94 I CB -0.465 37.331 38.000 -0.340 0.000 1.058 94 I HN 0.329 nan 8.210 nan 0.000 0.410 95 Y N 1.423 121.403 120.300 -0.534 0.000 2.165 95 Y HA -0.296 4.254 4.550 -0.000 0.000 0.286 95 Y C 2.342 178.016 175.900 -0.377 0.000 1.155 95 Y CA 1.619 59.221 58.100 -0.831 0.000 1.164 95 Y CB -0.259 37.575 38.460 -1.043 0.000 0.978 95 Y HN 0.071 nan 8.280 nan 0.000 0.513 96 L N 0.060 121.283 121.223 -0.000 0.000 1.989 96 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 96 L C 2.171 179.024 176.870 -0.029 0.000 1.071 96 L CA 1.894 56.759 54.840 0.042 0.000 0.749 96 L CB -0.907 41.190 42.059 0.064 0.000 0.890 96 L HN 0.336 nan 8.230 nan 0.000 0.431 97 L N -1.404 119.778 121.223 -0.069 0.000 2.083 97 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 97 L C 2.516 179.340 176.870 -0.078 0.000 1.083 97 L CA 1.173 55.974 54.840 -0.064 0.000 0.752 97 L CB -0.490 41.509 42.059 -0.100 0.000 0.899 97 L HN 0.327 nan 8.230 nan 0.000 0.433 98 L N -0.461 120.681 121.223 -0.136 0.000 2.044 98 L HA -0.150 4.190 4.340 -0.000 0.000 0.205 98 L C 2.171 178.929 176.870 -0.188 0.000 1.075 98 L CA 1.127 55.883 54.840 -0.139 0.000 0.747 98 L CB -0.306 41.660 42.059 -0.154 0.000 0.903 98 L HN 0.385 nan 8.230 nan 0.000 0.435 99 N N -1.286 117.224 118.700 -0.317 0.000 2.432 99 N HA 0.053 4.793 4.740 -0.000 0.000 0.174 99 N C 1.407 176.832 175.510 -0.142 0.000 1.037 99 N CA 1.195 54.060 53.050 -0.309 0.000 0.892 99 N CB 1.089 39.179 38.487 -0.662 0.000 1.049 99 N HN 0.370 nan 8.380 nan 0.000 0.442 100 G N -0.049 108.708 108.800 -0.071 0.000 2.284 100 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.201 100 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.201 100 G C -0.172 174.777 174.900 0.082 0.000 0.998 100 G CA -0.277 44.828 45.100 0.008 0.000 0.651 100 G HN 0.229 nan 8.290 nan 0.000 0.489 101 E N -0.373 119.903 120.200 0.126 0.000 2.429 101 E HA 0.589 4.939 4.350 -0.000 0.000 0.276 101 E C -0.313 176.426 176.600 0.232 0.000 0.953 101 E CA -0.824 55.695 56.400 0.197 0.000 0.787 101 E CB 1.689 31.484 29.700 0.158 0.000 1.307 101 E HN 0.219 nan 8.360 nan 0.000 0.458 102 L N 2.976 124.282 121.223 0.138 0.000 2.426 102 L HA 0.233 4.572 4.340 -0.000 0.000 0.271 102 L C -1.806 174.998 176.870 -0.109 0.000 1.169 102 L CA -1.383 53.445 54.840 -0.020 0.000 0.836 102 L CB 0.200 42.169 42.059 -0.149 0.000 1.112 102 L HN 0.153 nan 8.230 nan 0.000 0.465 103 P HA 0.134 nan 4.420 nan 0.000 0.278 103 P C -1.346 175.776 177.300 -0.297 0.000 1.238 103 P CA -0.635 62.072 63.100 -0.655 0.000 0.794 103 P CB 0.979 31.892 31.700 -1.311 0.000 0.955 104 N N 1.464 120.049 118.700 -0.191 0.000 2.405 104 N HA 0.091 4.831 4.740 -0.000 0.000 0.269 104 N C 1.110 176.573 175.510 -0.079 0.000 1.249 104 N CA -0.536 52.450 53.050 -0.106 0.000 0.974 104 N CB 0.355 38.810 38.487 -0.053 0.000 1.204 104 N HN 0.325 nan 8.380 nan 0.000 0.565 105 K N -0.833 119.539 120.400 -0.047 0.000 2.044 105 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 105 K C 1.737 178.368 176.600 0.052 0.000 1.049 105 K CA 1.735 58.023 56.287 0.001 0.000 0.927 105 K CB -0.623 31.873 32.500 -0.007 0.000 0.713 105 K HN 0.625 nan 8.250 nan 0.000 0.443 106 A N 0.827 123.664 122.820 0.028 0.000 1.902 106 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 106 A C 2.021 179.635 177.584 0.050 0.000 1.181 106 A CA 1.610 53.672 52.037 0.041 0.000 0.623 106 A CB -0.520 18.499 19.000 0.032 0.000 0.818 106 A HN 0.488 nan 8.150 nan 0.000 0.443 107 Q N -2.138 117.672 119.800 0.017 0.000 2.079 107 Q HA -0.178 4.162 4.340 -0.000 0.000 0.200 107 Q C 2.007 178.000 176.000 -0.011 0.000 0.974 107 Q CA 1.745 57.550 55.803 0.004 0.000 0.840 107 Q CB -0.352 28.320 28.738 -0.110 0.000 0.898 107 Q HN 0.812 nan 8.270 nan 0.000 0.430 108 Y N 1.902 122.090 120.300 -0.187 0.000 2.145 108 Y HA -0.264 4.286 4.550 -0.000 0.000 0.286 108 Y C 1.651 177.582 175.900 0.052 0.000 1.145 108 Y CA 1.783 59.813 58.100 -0.117 0.000 1.148 108 Y CB -0.066 38.311 38.460 -0.139 0.000 0.981 108 Y HN 0.105 nan 8.280 nan 0.000 0.507 109 D N -1.008 119.457 120.400 0.109 0.000 2.117 109 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 109 D C 2.139 178.449 176.300 0.016 0.000 0.987 109 D CA 1.986 56.014 54.000 0.047 0.000 0.829 109 D CB -0.538 40.312 40.800 0.084 0.000 0.961 109 D HN 0.351 nan 8.370 nan 0.000 0.460 110 T N 0.468 115.060 114.554 0.062 0.000 2.746 110 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 110 T C 1.685 176.443 174.700 0.096 0.000 1.039 110 T CA 0.598 62.745 62.100 0.078 0.000 1.142 110 T CB -0.392 68.542 68.868 0.111 0.000 0.866 110 T HN 0.093 nan 8.240 nan 0.000 0.444 111 F N 2.502 122.435 119.950 -0.028 0.000 2.075 111 F HA -0.170 4.357 4.527 0.000 0.000 0.297 111 F C 2.722 178.455 175.800 -0.112 0.000 1.113 111 F CA 1.912 59.900 58.000 -0.020 0.000 1.218 111 F CB -0.906 38.131 39.000 0.061 0.000 0.984 111 F HN 0.222 nan 8.300 nan 0.000 0.472 112 T N -1.720 112.720 114.554 -0.190 0.000 2.915 112 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 112 T C 1.763 176.352 174.700 -0.185 0.000 1.071 112 T CA 1.377 63.305 62.100 -0.287 0.000 1.132 112 T CB -0.620 68.036 68.868 -0.353 0.000 0.878 112 T HN 0.211 nan 8.240 nan 0.000 0.479 113 N N 1.277 119.906 118.700 -0.118 0.000 2.142 113 N HA -0.026 4.714 4.740 -0.000 0.000 0.186 113 N C 2.066 177.523 175.510 -0.088 0.000 1.023 113 N CA 1.640 54.646 53.050 -0.074 0.000 0.852 113 N CB -0.963 37.504 38.487 -0.033 0.000 0.998 113 N HN 0.469 nan 8.380 nan 0.000 0.424 114 T N 1.892 116.387 114.554 -0.099 0.000 2.746 114 T HA 0.005 4.355 4.350 -0.000 0.000 0.267 114 T C 2.099 176.777 174.700 -0.036 0.000 1.039 114 T CA 0.614 62.686 62.100 -0.048 0.000 1.142 114 T CB -0.230 68.609 68.868 -0.049 0.000 0.866 114 T HN 0.125 nan 8.240 nan 0.000 0.444 115 L N 1.174 122.275 121.223 -0.204 0.000 2.017 115 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 115 L C 3.146 179.984 176.870 -0.052 0.000 1.073 115 L CA 1.852 56.598 54.840 -0.156 0.000 0.745 115 L CB -1.222 40.673 42.059 -0.273 0.000 0.894 115 L HN 0.464 nan 8.230 nan 0.000 0.432 116 T N -3.323 111.189 114.554 -0.070 0.000 2.881 116 T HA -0.211 4.139 4.350 -0.000 0.000 0.270 116 T C 1.556 176.207 174.700 -0.080 0.000 1.068 116 T CA 1.641 63.713 62.100 -0.046 0.000 1.131 116 T CB -0.498 68.350 68.868 -0.034 0.000 0.871 116 T HN 0.177 nan 8.240 nan 0.000 0.479 117 N N 0.930 119.541 118.700 -0.148 0.000 2.521 117 N HA -0.057 4.683 4.740 -0.000 0.000 0.188 117 N C 0.894 176.093 175.510 -0.518 0.000 1.146 117 N CA 0.467 53.340 53.050 -0.294 0.000 0.893 117 N CB -0.222 38.063 38.487 -0.337 0.000 0.975 117 N HN 0.597 nan 8.380 nan 0.000 0.451 118 H N -2.252 116.796 119.070 -0.036 0.000 2.916 118 H HA 0.167 4.723 4.556 0.000 0.000 0.262 118 H C 1.101 176.407 175.328 -0.037 0.000 1.178 118 H CA 0.552 56.583 56.048 -0.028 0.000 1.090 118 H CB 0.283 30.015 29.762 -0.049 0.000 1.657 118 H HN 0.299 nan 8.280 nan 0.000 0.601 119 T N -1.217 113.346 114.554 0.015 0.000 2.951 119 T HA 0.051 4.401 4.350 -0.000 0.000 0.268 119 T C 1.105 175.765 174.700 -0.067 0.000 1.073 119 T CA 0.173 62.254 62.100 -0.032 0.000 1.134 119 T CB 0.047 68.889 68.868 -0.043 0.000 0.884 119 T HN 0.044 nan 8.240 nan 0.000 0.479 120 L N 1.792 123.003 121.223 -0.019 0.000 2.380 120 L HA 0.410 4.750 4.340 -0.000 0.000 0.273 120 L C 0.115 176.968 176.870 -0.027 0.000 1.138 120 L CA -0.661 54.175 54.840 -0.006 0.000 0.832 120 L CB 0.784 42.886 42.059 0.070 0.000 1.124 120 L HN 0.180 nan 8.230 nan 0.000 0.454 121 L N 2.254 123.412 121.223 -0.109 0.000 2.360 121 L HA 0.362 4.702 4.340 -0.000 0.000 0.271 121 L C 0.383 177.285 176.870 0.053 0.000 1.057 121 L CA -0.864 53.925 54.840 -0.085 0.000 0.803 121 L CB 0.918 42.817 42.059 -0.266 0.000 1.207 121 L HN 0.515 nan 8.230 nan 0.000 0.445 122 H N 2.697 121.713 119.070 -0.089 0.000 3.004 122 H HA -0.017 4.539 4.556 0.000 0.000 0.316 122 H C 0.589 175.942 175.328 0.041 0.000 1.014 122 H CA 0.247 56.259 56.048 -0.060 0.000 1.454 122 H CB 1.179 30.775 29.762 -0.275 0.000 1.472 122 H HN 0.605 nan 8.280 nan 0.000 0.571 123 E N 3.736 124.025 120.200 0.149 0.000 2.267 123 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 123 E C 1.705 178.495 176.600 0.318 0.000 0.998 123 E CA 0.792 57.357 56.400 0.276 0.000 0.830 123 E CB 0.092 29.898 29.700 0.177 0.000 0.751 123 E HN 0.718 nan 8.360 nan 0.000 0.491 124 Q N 0.452 120.527 119.800 0.457 0.000 2.291 124 Q HA -0.071 4.269 4.340 -0.000 0.000 0.206 124 Q C 1.960 177.997 176.000 0.061 0.000 0.976 124 Q CA 0.617 56.574 55.803 0.257 0.000 0.875 124 Q CB -0.118 28.796 28.738 0.292 0.000 0.927 124 Q HN 0.279 nan 8.270 nan 0.000 0.450 125 I N -0.007 120.642 120.570 0.131 0.000 2.700 125 I HA -0.258 3.912 4.170 -0.000 0.000 0.261 125 I C 2.093 178.479 176.117 0.449 0.000 1.219 125 I CA 0.768 62.188 61.300 0.200 0.000 1.463 125 I CB -0.146 38.021 38.000 0.279 0.000 1.092 125 I HN 0.186 nan 8.210 nan 0.000 0.452 126 R N 0.689 121.468 120.500 0.465 0.000 2.096 126 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 126 R C 1.980 178.507 176.300 0.379 0.000 1.127 126 R CA 1.323 57.752 56.100 0.549 0.000 0.968 126 R CB -0.357 30.123 30.300 0.301 0.000 0.861 126 R HN 0.443 nan 8.270 nan 0.000 0.440 127 N N 0.342 119.121 118.700 0.132 0.000 2.223 127 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 127 N C 1.597 177.133 175.510 0.043 0.000 1.016 127 N CA 1.227 54.294 53.050 0.027 0.000 0.863 127 N CB -0.288 38.140 38.487 -0.099 0.000 0.983 127 N HN 0.224 nan 8.380 nan 0.000 0.429 128 F N 0.469 120.479 119.950 0.099 0.000 2.069 128 F HA -0.160 4.367 4.527 0.000 0.000 0.298 128 F C 1.974 177.737 175.800 -0.063 0.000 1.113 128 F CA 0.769 58.738 58.000 -0.052 0.000 1.214 128 F CB -0.464 38.438 39.000 -0.163 0.000 0.978 128 F HN -0.071 nan 8.300 nan 0.000 0.474 129 F N 0.363 120.500 119.950 0.312 0.000 2.161 129 F HA -0.240 4.287 4.527 0.000 0.000 0.300 129 F C 2.025 177.673 175.800 -0.253 0.000 1.089 129 F CA 1.081 59.098 58.000 0.028 0.000 1.282 129 F CB -0.780 38.207 39.000 -0.022 0.000 1.010 129 F HN -0.035 nan 8.300 nan 0.000 0.485 130 N N 0.180 118.969 118.700 0.149 0.000 2.573 130 N HA -0.057 4.683 4.740 -0.000 0.000 0.187 130 N C 2.013 177.596 175.510 0.122 0.000 1.107 130 N CA 0.932 54.099 53.050 0.196 0.000 0.918 130 N CB -0.529 38.067 38.487 0.182 0.000 0.966 130 N HN 0.349 nan 8.380 nan 0.000 0.448 131 G N -1.031 107.762 108.800 -0.011 0.000 2.712 131 G HA2 0.025 3.985 3.960 -0.000 0.000 0.212 131 G HA3 0.025 3.985 3.960 -0.000 0.000 0.212 131 G C 0.205 174.952 174.900 -0.255 0.000 1.142 131 G CA -0.126 44.873 45.100 -0.168 0.000 0.789 131 G HN 0.099 nan 8.290 nan 0.000 0.535 132 F N 0.254 120.236 119.950 0.054 0.000 2.399 132 F HA 0.552 5.079 4.527 -0.000 0.000 0.328 132 F C 1.016 176.985 175.800 0.282 0.000 1.084 132 F CA -1.060 57.015 58.000 0.126 0.000 1.053 132 F CB 1.293 40.340 39.000 0.079 0.000 1.209 132 F HN -0.247 nan 8.300 nan 0.000 0.502 133 R N 1.244 122.007 120.500 0.438 0.000 2.615 133 R HA 0.249 4.589 4.340 -0.000 0.000 0.270 133 R C 1.189 177.722 176.300 0.389 0.000 1.081 133 R CA -0.704 55.590 56.100 0.323 0.000 1.154 133 R CB 0.676 31.104 30.300 0.213 0.000 1.063 133 R HN 0.568 nan 8.270 nan 0.000 0.519 134 R N 1.363 121.990 120.500 0.212 0.000 2.193 134 R HA -0.110 4.230 4.340 -0.000 0.000 0.229 134 R C 0.668 177.021 176.300 0.089 0.000 1.110 134 R CA 1.196 57.332 56.100 0.061 0.000 0.988 134 R CB -0.243 29.986 30.300 -0.118 0.000 0.871 134 R HN 0.679 nan 8.270 nan 0.000 0.458 135 D N -0.221 120.247 120.400 0.113 0.000 2.325 135 D HA 0.070 4.710 4.640 -0.000 0.000 0.225 135 D C 0.107 176.488 176.300 0.135 0.000 1.096 135 D CA -0.195 53.861 54.000 0.094 0.000 0.844 135 D CB -0.124 40.723 40.800 0.078 0.000 0.925 135 D HN -0.024 nan 8.370 nan 0.000 0.513 136 A N 0.711 123.644 122.820 0.189 0.000 2.462 136 A HA 0.122 4.442 4.320 -0.000 0.000 0.243 136 A C 0.226 177.890 177.584 0.134 0.000 1.076 136 A CA -0.351 51.811 52.037 0.208 0.000 0.773 136 A CB 0.025 19.180 19.000 0.258 0.000 1.010 136 A HN 0.440 nan 8.150 nan 0.000 0.493 137 H N 3.144 122.275 119.070 0.102 0.000 2.803 137 H HA 0.121 4.677 4.556 0.000 0.000 0.330 137 H C -1.808 173.457 175.328 -0.106 0.000 1.057 137 H CA -1.452 54.633 56.048 0.061 0.000 1.458 137 H CB 1.088 30.980 29.762 0.217 0.000 1.470 137 H HN 0.299 nan 8.280 nan 0.000 0.560 138 P HA -0.179 nan 4.420 nan 0.000 0.218 138 P C 1.743 178.956 177.300 -0.145 0.000 1.146 138 P CA 1.075 64.113 63.100 -0.103 0.000 0.813 138 P CB 0.253 31.901 31.700 -0.086 0.000 0.778 139 M N -1.436 118.094 119.600 -0.117 0.000 2.229 139 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 139 M C 2.024 177.808 176.300 -0.860 0.000 1.063 139 M CA 1.512 56.403 55.300 -0.682 0.000 1.114 139 M CB -1.617 30.057 32.600 -1.542 0.000 1.387 139 M HN -0.090 nan 8.290 nan 0.000 0.420 140 A N 0.364 122.706 122.820 -0.797 0.000 1.898 140 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 140 A C 2.187 179.605 177.584 -0.277 0.000 1.181 140 A CA 1.118 52.918 52.037 -0.395 0.000 0.620 140 A CB -0.711 18.321 19.000 0.053 0.000 0.819 140 A HN 0.447 nan 8.150 nan 0.000 0.442 141 I N -0.959 119.295 120.570 -0.527 0.000 2.179 141 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 141 I C 2.453 178.340 176.117 -0.385 0.000 1.088 141 I CA 1.190 61.965 61.300 -0.876 0.000 1.357 141 I CB -0.336 37.181 38.000 -0.805 0.000 1.051 141 I HN 0.336 nan 8.210 nan 0.000 0.409 142 L N 0.496 121.560 121.223 -0.264 0.000 2.017 142 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 142 L C 2.726 179.513 176.870 -0.137 0.000 1.073 142 L CA 1.787 56.533 54.840 -0.157 0.000 0.745 142 L CB -0.579 41.408 42.059 -0.120 0.000 0.894 142 L HN 0.435 nan 8.230 nan 0.000 0.432 143 C N -0.419 118.787 119.300 -0.157 0.000 2.413 143 C HA -0.102 4.358 4.460 -0.000 0.000 0.277 143 C C 2.867 177.817 174.990 -0.067 0.000 1.228 143 C CA 1.035 59.997 59.018 -0.093 0.000 1.731 143 C CB -1.575 26.128 27.740 -0.063 0.000 2.042 143 C HN 0.701 nan 8.230 nan 0.000 0.468 144 G N -0.571 108.213 108.800 -0.026 0.000 2.418 144 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 144 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 144 G C 1.772 176.569 174.900 -0.172 0.000 1.158 144 G CA 1.620 46.711 45.100 -0.016 0.000 0.771 144 G HN 0.571 nan 8.290 nan 0.000 0.545 145 T N 0.686 115.116 114.554 -0.206 0.000 2.821 145 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 145 T C 2.503 177.039 174.700 -0.274 0.000 1.046 145 T CA 1.025 62.892 62.100 -0.389 0.000 1.139 145 T CB -0.118 68.498 68.868 -0.421 0.000 0.871 145 T HN 0.061 nan 8.240 nan 0.000 0.454 146 V N 1.441 121.272 119.914 -0.139 0.000 2.427 146 V HA -0.040 4.080 4.120 -0.000 0.000 0.248 146 V C 2.845 178.927 176.094 -0.022 0.000 1.051 146 V CA 1.849 64.129 62.300 -0.035 0.000 1.048 146 V CB -1.249 30.570 31.823 -0.007 0.000 0.666 146 V HN 0.580 nan 8.190 nan 0.000 0.456 147 G N -0.215 108.538 108.800 -0.079 0.000 2.418 147 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 147 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 147 G C 1.774 176.616 174.900 -0.097 0.000 1.158 147 G CA 1.010 46.071 45.100 -0.066 0.000 0.771 147 G HN 0.592 nan 8.290 nan 0.000 0.545 148 A N 0.398 123.076 122.820 -0.237 0.000 1.933 148 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 148 A C 2.314 179.858 177.584 -0.065 0.000 1.175 148 A CA 1.598 53.442 52.037 -0.321 0.000 0.628 148 A CB -0.423 17.919 19.000 -1.098 0.000 0.814 148 A HN 0.424 nan 8.150 nan 0.000 0.444 149 L N 1.060 122.253 121.223 -0.050 0.000 2.261 149 L HA -0.154 4.186 4.340 -0.000 0.000 0.216 149 L C 2.662 179.501 176.870 -0.051 0.000 1.114 149 L CA 2.351 57.233 54.840 0.069 0.000 0.777 149 L CB -0.624 41.474 42.059 0.065 0.000 0.910 149 L HN 0.548 nan 8.230 nan 0.000 0.440 150 S N -1.136 114.534 115.700 -0.049 0.000 2.419 150 S HA -0.146 4.323 4.470 -0.000 0.000 0.233 150 S C 2.099 176.633 174.600 -0.110 0.000 1.016 150 S CA 0.792 58.937 58.200 -0.091 0.000 0.974 150 S CB -0.798 62.432 63.200 0.051 0.000 0.786 150 S HN 0.479 nan 8.310 nan 0.000 0.492 151 A N 0.754 123.525 122.820 -0.083 0.000 2.015 151 A HA 0.204 4.524 4.320 -0.000 0.000 0.219 151 A C 1.689 179.044 177.584 -0.383 0.000 1.163 151 A CA 0.918 52.835 52.037 -0.200 0.000 0.646 151 A CB -0.901 17.965 19.000 -0.222 0.000 0.806 151 A HN 0.568 nan 8.150 nan 0.000 0.448 152 F N -2.133 117.559 119.950 -0.430 0.000 2.661 152 F HA 0.073 4.600 4.527 -0.000 0.000 0.298 152 F C 0.170 175.340 175.800 -1.050 0.000 1.137 152 F CA 0.631 58.195 58.000 -0.727 0.000 1.454 152 F CB -0.111 38.368 39.000 -0.867 0.000 1.103 152 F HN 0.241 nan 8.300 nan 0.000 0.577 153 Y N 0.363 120.568 120.300 -0.157 0.000 2.562 153 Y HA 0.268 4.818 4.550 -0.000 0.000 0.363 153 Y C -1.643 174.209 175.900 -0.080 0.000 0.991 153 Y CA -2.392 55.622 58.100 -0.143 0.000 1.121 153 Y CB 0.003 38.281 38.460 -0.303 0.000 1.159 153 Y HN -0.147 nan 8.280 nan 0.000 0.651 154 P HA -0.179 nan 4.420 nan 0.000 0.219 154 P C 0.530 177.866 177.300 0.061 0.000 1.146 154 P CA 1.482 64.585 63.100 0.005 0.000 0.808 154 P CB 0.568 32.247 31.700 -0.035 0.000 0.779 155 D N 0.285 120.743 120.400 0.097 0.000 2.264 155 D HA -0.052 4.588 4.640 -0.000 0.000 0.208 155 D C 1.911 178.290 176.300 0.132 0.000 0.966 155 D CA 1.077 55.142 54.000 0.107 0.000 0.864 155 D CB -0.601 40.271 40.800 0.119 0.000 0.933 155 D HN 0.170 nan 8.370 nan 0.000 0.499 156 A N 0.465 123.388 122.820 0.172 0.000 2.235 156 A HA -0.061 4.259 4.320 -0.000 0.000 0.208 156 A C 1.657 179.335 177.584 0.156 0.000 1.172 156 A CA 0.380 52.533 52.037 0.194 0.000 0.786 156 A CB -0.182 19.003 19.000 0.308 0.000 0.804 156 A HN 0.061 nan 8.150 nan 0.000 0.479 157 N N 0.391 119.161 118.700 0.117 0.000 2.494 157 N HA -0.047 4.693 4.740 -0.000 0.000 0.182 157 N C -0.347 175.220 175.510 0.094 0.000 1.076 157 N CA 0.607 53.712 53.050 0.092 0.000 0.908 157 N CB 0.124 38.646 38.487 0.058 0.000 0.967 157 N HN 0.388 nan 8.380 nan 0.000 0.449 158 D N 0.691 121.151 120.400 0.101 0.000 2.458 158 D HA 0.112 4.752 4.640 -0.000 0.000 0.258 158 D C 0.955 177.325 176.300 0.117 0.000 1.134 158 D CA -0.567 53.487 54.000 0.091 0.000 0.915 158 D CB 0.348 41.189 40.800 0.068 0.000 1.028 158 D HN 0.018 nan 8.370 nan 0.000 0.508 159 I N 0.581 121.239 120.570 0.146 0.000 3.334 159 I HA 0.148 4.318 4.170 -0.000 0.000 0.282 159 I C 1.716 177.890 176.117 0.095 0.000 1.313 159 I CA 0.432 61.845 61.300 0.189 0.000 1.396 159 I CB -0.537 37.640 38.000 0.295 0.000 1.054 159 I HN 0.203 nan 8.210 nan 0.000 0.495 160 A N 0.875 123.733 122.820 0.063 0.000 2.119 160 A HA 0.276 4.596 4.320 -0.000 0.000 0.217 160 A C 1.124 178.724 177.584 0.028 0.000 1.153 160 A CA 0.525 52.579 52.037 0.029 0.000 0.692 160 A CB -0.726 18.288 19.000 0.024 0.000 0.799 160 A HN 0.436 nan 8.150 nan 0.000 0.458 161 I N 0.151 120.750 120.570 0.048 0.000 2.315 161 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 161 I C -1.635 174.510 176.117 0.047 0.000 1.006 161 I CA -1.888 59.438 61.300 0.043 0.000 1.265 161 I CB 1.693 39.724 38.000 0.050 0.000 1.387 161 I HN -0.033 nan 8.210 nan 0.000 0.475 162 P HA -0.274 nan 4.420 nan 0.000 0.216 162 P C 1.480 178.805 177.300 0.041 0.000 1.157 162 P CA 1.619 64.733 63.100 0.024 0.000 0.880 162 P CB 0.206 31.912 31.700 0.010 0.000 0.791 163 A N -0.474 122.371 122.820 0.042 0.000 1.908 163 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 163 A C 2.127 179.744 177.584 0.056 0.000 1.181 163 A CA 2.100 54.164 52.037 0.044 0.000 0.627 163 A CB -1.478 17.549 19.000 0.044 0.000 0.818 163 A HN 0.149 nan 8.150 nan 0.000 0.445 164 N N -0.236 118.509 118.700 0.075 0.000 2.120 164 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 164 N C 1.834 177.419 175.510 0.125 0.000 1.024 164 N CA 1.388 54.498 53.050 0.099 0.000 0.852 164 N CB -0.417 38.140 38.487 0.117 0.000 1.003 164 N HN 0.558 nan 8.380 nan 0.000 0.424 165 R N 0.504 121.099 120.500 0.158 0.000 2.073 165 R HA -0.022 4.318 4.340 -0.000 0.000 0.229 165 R C 1.201 177.605 176.300 0.172 0.000 1.120 165 R CA 0.988 57.250 56.100 0.270 0.000 0.967 165 R CB -0.144 30.287 30.300 0.219 0.000 0.862 165 R HN 0.219 nan 8.270 nan 0.000 0.436 166 D N 0.952 121.402 120.400 0.083 0.000 2.097 166 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 166 D C 1.856 178.142 176.300 -0.024 0.000 0.989 166 D CA 0.930 54.952 54.000 0.035 0.000 0.827 166 D CB -0.148 40.665 40.800 0.023 0.000 0.966 166 D HN 0.012 nan 8.370 nan 0.000 0.456 167 L N 0.902 122.101 121.223 -0.041 0.000 2.093 167 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 167 L C 2.193 178.946 176.870 -0.195 0.000 1.085 167 L CA 1.284 56.041 54.840 -0.138 0.000 0.755 167 L CB -0.915 41.091 42.059 -0.088 0.000 0.904 167 L HN -0.053 nan 8.230 nan 0.000 0.435 168 A N -0.901 121.845 122.820 -0.125 0.000 1.902 168 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 168 A C 2.447 179.786 177.584 -0.408 0.000 1.181 168 A CA 1.700 53.583 52.037 -0.256 0.000 0.623 168 A CB -0.959 17.910 19.000 -0.218 0.000 0.818 168 A HN 0.473 nan 8.150 nan 0.000 0.443 169 A N -0.765 121.926 122.820 -0.214 0.000 1.877 169 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 169 A C 2.175 179.652 177.584 -0.179 0.000 1.186 169 A CA 2.009 53.949 52.037 -0.160 0.000 0.620 169 A CB -0.471 18.537 19.000 0.013 0.000 0.822 169 A HN 0.422 nan 8.150 nan 0.000 0.443 170 M N -0.702 118.790 119.600 -0.180 0.000 2.175 170 M HA -0.046 4.434 4.480 -0.000 0.000 0.264 170 M C 2.161 178.322 176.300 -0.232 0.000 1.063 170 M CA 1.281 56.457 55.300 -0.206 0.000 1.119 170 M CB -1.186 31.279 32.600 -0.225 0.000 1.377 170 M HN 0.404 nan 8.290 nan 0.000 0.415 171 R N 0.007 120.325 120.500 -0.303 0.000 2.092 171 R HA -0.043 4.297 4.340 -0.000 0.000 0.231 171 R C 2.300 178.513 176.300 -0.146 0.000 1.119 171 R CA 1.021 56.983 56.100 -0.231 0.000 0.970 171 R CB -0.387 29.753 30.300 -0.267 0.000 0.864 171 R HN 0.307 nan 8.270 nan 0.000 0.440 172 L N 0.332 121.384 121.223 -0.284 0.000 2.027 172 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 172 L C 2.300 179.104 176.870 -0.111 0.000 1.074 172 L CA 1.323 56.007 54.840 -0.260 0.000 0.745 172 L CB -0.256 41.531 42.059 -0.453 0.000 0.898 172 L HN 0.171 nan 8.230 nan 0.000 0.433 173 I N -0.591 119.921 120.570 -0.097 0.000 2.394 173 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 173 I C 2.636 178.796 176.117 0.071 0.000 1.136 173 I CA 1.059 62.349 61.300 -0.015 0.000 1.425 173 I CB -0.373 37.587 38.000 -0.067 0.000 1.079 173 I HN 0.201 nan 8.210 nan 0.000 0.425 174 A N 0.701 123.528 122.820 0.012 0.000 1.930 174 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 174 A C 2.249 179.821 177.584 -0.020 0.000 1.176 174 A CA 1.178 53.242 52.037 0.045 0.000 0.632 174 A CB -0.208 18.815 19.000 0.038 0.000 0.819 174 A HN 0.295 nan 8.150 nan 0.000 0.445 175 K N -0.956 119.423 120.400 -0.034 0.000 2.262 175 K HA 0.145 4.465 4.320 -0.000 0.000 0.200 175 K C 1.609 178.138 176.600 -0.118 0.000 1.049 175 K CA 0.580 56.821 56.287 -0.076 0.000 0.979 175 K CB -0.135 32.358 32.500 -0.011 0.000 0.773 175 K HN 0.382 nan 8.250 nan 0.000 0.474 176 I N 2.268 122.786 120.570 -0.088 0.000 2.264 176 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 176 I C -1.406 174.577 176.117 -0.223 0.000 1.111 176 I CA 1.241 62.477 61.300 -0.106 0.000 1.382 176 I CB -0.326 37.643 38.000 -0.052 0.000 1.060 176 I HN 0.035 nan 8.210 nan 0.000 0.418 177 P HA -0.052 nan 4.420 nan 0.000 0.219 177 P C 1.617 178.734 177.300 -0.306 0.000 1.150 177 P CA 1.454 64.191 63.100 -0.605 0.000 0.814 177 P CB -0.120 31.077 31.700 -0.839 0.000 0.787 178 T N -0.394 113.971 114.554 -0.316 0.000 2.777 178 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 178 T C 1.771 176.177 174.700 -0.490 0.000 1.040 178 T CA 0.998 62.823 62.100 -0.458 0.000 1.141 178 T CB -0.820 67.686 68.868 -0.604 0.000 0.868 178 T HN 0.064 nan 8.240 nan 0.000 0.444 179 I N 1.435 121.838 120.570 -0.278 0.000 2.226 179 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 179 I C 2.962 179.115 176.117 0.059 0.000 1.100 179 I CA 1.077 62.352 61.300 -0.041 0.000 1.374 179 I CB -0.512 37.491 38.000 0.005 0.000 1.057 179 I HN 0.194 nan 8.210 nan 0.000 0.413 180 A N 0.846 123.673 122.820 0.011 0.000 1.877 180 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 180 A C 2.547 180.231 177.584 0.166 0.000 1.186 180 A CA 1.970 54.068 52.037 0.102 0.000 0.620 180 A CB -0.837 18.229 19.000 0.111 0.000 0.822 180 A HN 0.435 nan 8.150 nan 0.000 0.443 181 A N -1.602 121.324 122.820 0.176 0.000 1.898 181 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 181 A C 1.924 179.551 177.584 0.072 0.000 1.181 181 A CA 1.482 53.593 52.037 0.125 0.000 0.620 181 A CB -0.804 18.257 19.000 0.102 0.000 0.819 181 A HN 0.702 nan 8.150 nan 0.000 0.442 182 W N -0.166 120.862 121.300 -0.453 0.000 2.363 182 W HA 0.023 4.683 4.660 -0.000 0.000 0.296 182 W C 2.758 178.794 176.519 -0.806 0.000 1.212 182 W CA 0.656 57.337 57.345 -1.106 0.000 1.260 182 W CB -0.924 27.530 29.460 -1.677 0.000 1.131 182 W HN 0.421 nan 8.180 nan 0.000 0.530 183 A N -0.785 122.019 122.820 -0.026 0.000 1.902 183 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 183 A C 1.893 179.563 177.584 0.142 0.000 1.181 183 A CA 1.760 53.915 52.037 0.197 0.000 0.623 183 A CB -1.456 17.663 19.000 0.198 0.000 0.818 183 A HN 0.340 nan 8.150 nan 0.000 0.443 184 Y N 0.768 121.060 120.300 -0.014 0.000 2.145 184 Y HA -0.163 4.387 4.550 -0.000 0.000 0.286 184 Y C 2.116 178.007 175.900 -0.015 0.000 1.145 184 Y CA 2.087 60.163 58.100 -0.040 0.000 1.148 184 Y CB -0.128 38.262 38.460 -0.117 0.000 0.981 184 Y HN 0.116 nan 8.280 nan 0.000 0.507 185 K N -0.361 119.902 120.400 -0.227 0.000 2.057 185 K HA -0.242 4.078 4.320 -0.000 0.000 0.207 185 K C 2.048 178.604 176.600 -0.074 0.000 1.049 185 K CA 1.762 57.909 56.287 -0.234 0.000 0.931 185 K CB -1.325 31.159 32.500 -0.027 0.000 0.714 185 K HN 0.505 nan 8.250 nan 0.000 0.440 186 Y N 2.396 122.706 120.300 0.017 0.000 2.128 186 Y HA -0.288 4.262 4.550 -0.000 0.000 0.284 186 Y C 2.475 178.365 175.900 -0.016 0.000 1.154 186 Y CA 2.664 60.826 58.100 0.104 0.000 1.149 186 Y CB -0.684 37.917 38.460 0.234 0.000 0.976 186 Y HN 0.286 nan 8.280 nan 0.000 0.505 187 T N -2.168 112.392 114.554 0.010 0.000 2.929 187 T HA -0.176 4.174 4.350 -0.000 0.000 0.271 187 T C 1.455 176.034 174.700 -0.202 0.000 1.085 187 T CA 1.437 63.490 62.100 -0.079 0.000 1.125 187 T CB -0.218 68.640 68.868 -0.017 0.000 0.874 187 T HN 0.355 nan 8.240 nan 0.000 0.494 188 Q N 0.625 120.241 119.800 -0.305 0.000 2.408 188 Q HA 0.276 4.616 4.340 -0.000 0.000 0.205 188 Q C 1.845 177.702 176.000 -0.238 0.000 0.919 188 Q CA 0.741 56.367 55.803 -0.296 0.000 0.932 188 Q CB 0.096 28.566 28.738 -0.447 0.000 1.058 188 Q HN 0.798 nan 8.270 nan 0.000 0.517 189 G N 1.661 110.298 108.800 -0.272 0.000 2.147 189 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 189 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 189 G C -0.264 174.511 174.900 -0.209 0.000 1.005 189 G CA 0.328 45.274 45.100 -0.257 0.000 0.713 189 G HN 0.342 nan 8.290 nan 0.000 0.515 190 E N -0.031 120.049 120.200 -0.200 0.000 2.214 190 E HA 0.644 4.994 4.350 -0.000 0.000 0.274 190 E C 0.744 177.249 176.600 -0.158 0.000 0.977 190 E CA -0.267 56.039 56.400 -0.156 0.000 0.827 190 E CB 1.375 30.990 29.700 -0.142 0.000 1.130 190 E HN 0.617 nan 8.360 nan 0.000 0.394 191 A N 3.006 125.733 122.820 -0.154 0.000 2.498 191 A HA 0.123 4.443 4.320 -0.000 0.000 0.239 191 A C -0.280 177.236 177.584 -0.113 0.000 1.068 191 A CA 0.008 51.922 52.037 -0.205 0.000 0.766 191 A CB -0.110 18.804 19.000 -0.142 0.000 1.003 191 A HN 0.592 nan 8.150 nan 0.000 0.497 192 F N 1.831 121.497 119.950 -0.473 0.000 2.538 192 F HA 0.125 4.652 4.527 -0.000 0.000 0.371 192 F C 0.557 176.096 175.800 -0.435 0.000 1.087 192 F CA -0.287 57.254 58.000 -0.765 0.000 1.250 192 F CB 0.499 38.499 39.000 -1.666 0.000 1.110 192 F HN 0.278 nan 8.300 nan 0.000 0.570 193 I N 4.327 124.881 120.570 -0.028 0.000 2.377 193 I HA 0.200 4.370 4.170 -0.000 0.000 0.293 193 I C -0.138 176.113 176.117 0.225 0.000 0.987 193 I CA -0.968 60.397 61.300 0.108 0.000 1.185 193 I CB 1.070 39.105 38.000 0.059 0.000 1.341 193 I HN 0.431 nan 8.210 nan 0.000 0.455 194 Y N 6.784 127.245 120.300 0.268 0.000 2.300 194 Y HA 0.262 4.812 4.550 0.000 0.000 0.328 194 Y C -1.567 174.413 175.900 0.134 0.000 1.270 194 Y CA -1.444 56.819 58.100 0.270 0.000 1.352 194 Y CB 0.050 38.635 38.460 0.208 0.000 1.286 194 Y HN 0.392 nan 8.280 nan 0.000 0.536 195 P HA 0.186 nan 4.420 nan 0.000 0.272 195 P C -1.116 176.256 177.300 0.120 0.000 1.223 195 P CA -0.256 62.903 63.100 0.099 0.000 0.784 195 P CB 0.840 32.552 31.700 0.019 0.000 0.923 196 R N 1.830 122.382 120.500 0.087 0.000 2.439 196 R HA 0.255 4.595 4.340 -0.000 0.000 0.310 196 R C 0.983 177.319 176.300 0.061 0.000 0.955 196 R CA -0.640 55.509 56.100 0.082 0.000 0.853 196 R CB 0.853 31.209 30.300 0.093 0.000 1.171 196 R HN 0.336 nan 8.270 nan 0.000 0.449 197 N N 1.622 120.350 118.700 0.047 0.000 2.364 197 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 197 N C 0.795 176.331 175.510 0.044 0.000 1.022 197 N CA 1.158 54.228 53.050 0.034 0.000 0.883 197 N CB 0.082 38.580 38.487 0.018 0.000 0.965 197 N HN 0.637 nan 8.380 nan 0.000 0.438 198 D N -0.278 120.154 120.400 0.053 0.000 2.349 198 D HA -0.051 4.589 4.640 -0.000 0.000 0.224 198 D C 0.247 176.591 176.300 0.072 0.000 1.029 198 D CA 0.129 54.163 54.000 0.057 0.000 0.879 198 D CB -0.040 40.792 40.800 0.054 0.000 0.906 198 D HN 0.178 nan 8.370 nan 0.000 0.528 199 L N 1.380 122.651 121.223 0.081 0.000 2.334 199 L HA 0.286 4.625 4.340 -0.000 0.000 0.276 199 L C 0.373 177.307 176.870 0.107 0.000 1.014 199 L CA -1.244 53.655 54.840 0.098 0.000 0.815 199 L CB 1.526 43.650 42.059 0.109 0.000 1.268 199 L HN -0.077 nan 8.230 nan 0.000 0.428 200 N N 0.431 119.211 118.700 0.132 0.000 2.327 200 N HA -0.052 4.688 4.740 -0.000 0.000 0.257 200 N C 0.797 176.433 175.510 0.209 0.000 1.281 200 N CA -0.184 52.968 53.050 0.171 0.000 0.942 200 N CB 0.290 38.893 38.487 0.193 0.000 1.199 200 N HN 0.504 nan 8.380 nan 0.000 0.532 201 Y N -0.495 119.874 120.300 0.116 0.000 2.069 201 Y HA -0.277 4.273 4.550 -0.000 0.000 0.278 201 Y C 2.489 178.491 175.900 0.170 0.000 1.175 201 Y CA 3.091 61.269 58.100 0.130 0.000 1.134 201 Y CB -0.820 37.745 38.460 0.174 0.000 0.965 201 Y HN 0.686 nan 8.280 nan 0.000 0.498 202 A N -0.222 122.802 122.820 0.341 0.000 1.873 202 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 202 A C 2.065 179.763 177.584 0.190 0.000 1.186 202 A CA 1.857 54.044 52.037 0.250 0.000 0.616 202 A CB -0.729 18.406 19.000 0.225 0.000 0.823 202 A HN 0.622 nan 8.150 nan 0.000 0.442 203 E N -0.284 120.020 120.200 0.174 0.000 2.077 203 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 203 E C 2.017 178.708 176.600 0.151 0.000 0.989 203 E CA 1.061 57.560 56.400 0.164 0.000 0.800 203 E CB -0.285 29.506 29.700 0.151 0.000 0.746 203 E HN 0.728 nan 8.360 nan 0.000 0.452 204 N N 0.142 118.912 118.700 0.117 0.000 2.120 204 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 204 N C 1.796 177.350 175.510 0.074 0.000 1.024 204 N CA 0.703 53.798 53.050 0.075 0.000 0.852 204 N CB -0.059 38.444 38.487 0.027 0.000 1.003 204 N HN 0.049 nan 8.380 nan 0.000 0.424 205 F N 2.113 121.976 119.950 -0.146 0.000 2.134 205 F HA -0.025 4.502 4.527 -0.000 0.000 0.299 205 F C 2.104 177.797 175.800 -0.179 0.000 1.097 205 F CA 0.834 58.714 58.000 -0.200 0.000 1.264 205 F CB -0.665 38.197 39.000 -0.229 0.000 1.001 205 F HN -0.000 nan 8.300 nan 0.000 0.479 206 L N -0.897 120.282 121.223 -0.074 0.000 2.046 206 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 206 L C 2.789 179.534 176.870 -0.208 0.000 1.077 206 L CA 1.648 56.430 54.840 -0.096 0.000 0.747 206 L CB -1.049 41.134 42.059 0.207 0.000 0.896 206 L HN 0.201 nan 8.230 nan 0.000 0.432 207 S N -0.104 115.520 115.700 -0.126 0.000 2.356 207 S HA -0.215 4.255 4.470 -0.000 0.000 0.223 207 S C 2.066 176.459 174.600 -0.346 0.000 1.032 207 S CA 1.401 59.384 58.200 -0.361 0.000 1.005 207 S CB -0.144 63.059 63.200 0.005 0.000 0.867 207 S HN 0.292 nan 8.310 nan 0.000 0.449 208 M N -0.002 119.491 119.600 -0.177 0.000 2.213 208 M HA -0.046 4.434 4.480 -0.000 0.000 0.263 208 M C 2.362 178.540 176.300 -0.203 0.000 1.062 208 M CA 1.378 56.615 55.300 -0.105 0.000 1.105 208 M CB -0.337 32.263 32.600 -0.000 0.000 1.385 208 M HN 0.423 nan 8.290 nan 0.000 0.417 209 M N -1.280 118.041 119.600 -0.465 0.000 2.248 209 M HA -0.043 4.436 4.480 -0.000 0.000 0.265 209 M C 1.274 177.221 176.300 -0.589 0.000 1.079 209 M CA 1.664 56.563 55.300 -0.668 0.000 1.150 209 M CB 0.107 31.850 32.600 -1.429 0.000 1.366 209 M HN 0.180 nan 8.290 nan 0.000 0.433 210 F N -0.401 119.393 119.950 -0.260 0.000 2.731 210 F HA 0.350 4.876 4.527 -0.000 0.000 0.298 210 F C 1.212 176.822 175.800 -0.316 0.000 1.106 210 F CA -0.846 57.020 58.000 -0.223 0.000 1.329 210 F CB -0.025 38.893 39.000 -0.137 0.000 1.100 210 F HN -0.073 nan 8.300 nan 0.000 0.592 211 A N 1.682 124.257 122.820 -0.409 0.000 2.498 211 A HA 0.434 4.754 4.320 -0.000 0.000 0.239 211 A C 0.223 177.811 177.584 0.006 0.000 1.068 211 A CA -0.068 51.846 52.037 -0.206 0.000 0.766 211 A CB 0.204 19.093 19.000 -0.185 0.000 1.003 211 A HN 0.374 nan 8.150 nan 0.000 0.497 212 R N 1.789 122.341 120.500 0.086 0.000 2.732 212 R HA 0.409 4.749 4.340 -0.000 0.000 0.278 212 R C 0.601 176.936 176.300 0.057 0.000 0.976 212 R CA -1.056 55.084 56.100 0.066 0.000 0.963 212 R CB 0.941 31.290 30.300 0.080 0.000 1.150 212 R HN 0.691 nan 8.270 nan 0.000 0.478 213 M N 0.785 120.403 119.600 0.031 0.000 2.476 213 M HA -0.064 4.416 4.480 -0.000 0.000 0.262 213 M C 1.468 177.786 176.300 0.030 0.000 1.079 213 M CA 1.375 56.691 55.300 0.027 0.000 1.104 213 M CB -0.720 31.881 32.600 0.003 0.000 1.409 213 M HN 0.671 nan 8.290 nan 0.000 0.467 214 S N 0.038 115.757 115.700 0.032 0.000 2.558 214 S HA 0.083 4.553 4.470 -0.000 0.000 0.217 214 S C 0.390 175.012 174.600 0.038 0.000 0.975 214 S CA -0.293 57.924 58.200 0.028 0.000 0.912 214 S CB -0.221 62.992 63.200 0.021 0.000 0.776 214 S HN 0.648 nan 8.310 nan 0.000 0.526 215 E N 0.046 120.280 120.200 0.057 0.000 2.401 215 E HA 0.447 4.797 4.350 -0.000 0.000 0.280 215 E C -3.377 173.276 176.600 0.089 0.000 1.039 215 E CA -2.192 54.244 56.400 0.061 0.000 0.814 215 E CB 0.250 29.982 29.700 0.054 0.000 1.275 215 E HN 0.007 nan 8.360 nan 0.000 0.448 216 P HA 0.026 nan 4.420 nan 0.000 0.271 216 P C -1.258 176.128 177.300 0.144 0.000 1.216 216 P CA -0.055 63.108 63.100 0.104 0.000 0.771 216 P CB 0.181 31.921 31.700 0.066 0.000 0.864 217 Y N 2.945 123.275 120.300 0.050 0.000 2.335 217 Y HA 0.216 4.765 4.550 -0.000 0.000 0.331 217 Y C 0.380 176.310 175.900 0.049 0.000 1.094 217 Y CA -0.072 58.062 58.100 0.057 0.000 1.253 217 Y CB 0.923 39.429 38.460 0.077 0.000 1.203 217 Y HN 0.217 nan 8.280 nan 0.000 0.508 218 K N 5.894 125.971 120.400 -0.537 0.000 2.316 218 K HA 0.389 4.709 4.320 -0.000 0.000 0.267 218 K C -1.169 175.043 176.600 -0.646 0.000 1.025 218 K CA -0.785 55.261 56.287 -0.402 0.000 0.896 218 K CB 1.416 33.770 32.500 -0.243 0.000 1.124 218 K HN 0.419 nan 8.250 nan 0.000 0.451 219 V N 3.426 123.140 119.914 -0.333 0.000 2.521 219 V HA -0.025 4.095 4.120 -0.000 0.000 0.286 219 V C 0.424 176.450 176.094 -0.115 0.000 1.034 219 V CA -0.494 61.705 62.300 -0.168 0.000 1.045 219 V CB 0.495 32.364 31.823 0.076 0.000 0.974 219 V HN 0.671 nan 8.190 nan 0.000 0.480 220 N N 7.468 126.112 118.700 -0.094 0.000 2.401 220 N HA 0.226 4.966 4.740 -0.000 0.000 0.255 220 N C -1.605 173.901 175.510 -0.007 0.000 1.110 220 N CA -2.054 50.962 53.050 -0.058 0.000 0.949 220 N CB 1.684 40.136 38.487 -0.058 0.000 1.110 220 N HN 0.249 nan 8.380 nan 0.000 0.490 221 P HA -0.151 nan 4.420 nan 0.000 0.217 221 P C 1.296 178.606 177.300 0.017 0.000 1.148 221 P CA 0.703 63.812 63.100 0.015 0.000 0.828 221 P CB 0.423 32.128 31.700 0.009 0.000 0.783 222 V N -0.678 119.239 119.914 0.004 0.000 2.358 222 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 222 V C 2.407 178.507 176.094 0.010 0.000 1.047 222 V CA 1.553 63.855 62.300 0.002 0.000 1.035 222 V CB -1.076 30.741 31.823 -0.010 0.000 0.658 222 V HN 0.093 nan 8.190 nan 0.000 0.452 223 L N -0.117 121.115 121.223 0.016 0.000 2.109 223 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 223 L C 2.718 179.623 176.870 0.058 0.000 1.086 223 L CA 1.296 56.155 54.840 0.032 0.000 0.760 223 L CB -0.763 41.322 42.059 0.044 0.000 0.910 223 L HN 0.358 nan 8.230 nan 0.000 0.437 224 A N 0.294 123.155 122.820 0.068 0.000 1.902 224 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 224 A C 2.384 180.014 177.584 0.076 0.000 1.181 224 A CA 1.368 53.458 52.037 0.089 0.000 0.623 224 A CB -0.417 18.639 19.000 0.092 0.000 0.818 224 A HN 0.309 nan 8.150 nan 0.000 0.443 225 R N -0.658 119.874 120.500 0.054 0.000 2.092 225 R HA -0.029 4.311 4.340 -0.000 0.000 0.231 225 R C 2.452 178.772 176.300 0.034 0.000 1.119 225 R CA 1.073 57.200 56.100 0.044 0.000 0.970 225 R CB -0.396 29.921 30.300 0.028 0.000 0.864 225 R HN 0.518 nan 8.270 nan 0.000 0.440 226 A N 1.012 123.847 122.820 0.025 0.000 1.898 226 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 226 A C 2.099 179.691 177.584 0.013 0.000 1.181 226 A CA 1.244 53.286 52.037 0.009 0.000 0.620 226 A CB -0.330 18.670 19.000 -0.001 0.000 0.819 226 A HN 0.198 nan 8.150 nan 0.000 0.442 227 M N 0.645 120.267 119.600 0.036 0.000 2.086 227 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 227 M C 1.687 178.003 176.300 0.026 0.000 1.067 227 M CA 2.254 57.580 55.300 0.045 0.000 1.116 227 M CB -0.938 31.718 32.600 0.094 0.000 1.348 227 M HN 0.500 nan 8.290 nan 0.000 0.407 228 N N -0.364 118.371 118.700 0.058 0.000 2.061 228 N HA -0.172 4.568 4.740 -0.000 0.000 0.193 228 N C 1.825 177.343 175.510 0.012 0.000 1.030 228 N CA 1.809 54.903 53.050 0.072 0.000 0.856 228 N CB -0.082 38.469 38.487 0.108 0.000 1.023 228 N HN 0.377 nan 8.380 nan 0.000 0.424 229 R N -0.151 120.355 120.500 0.010 0.000 2.066 229 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 229 R C 2.287 178.570 176.300 -0.028 0.000 1.131 229 R CA 1.182 57.281 56.100 -0.002 0.000 0.955 229 R CB -0.485 29.813 30.300 -0.002 0.000 0.851 229 R HN 0.354 nan 8.270 nan 0.000 0.432 230 I N 1.027 121.578 120.570 -0.031 0.000 2.208 230 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 230 I C 2.224 178.325 176.117 -0.028 0.000 1.097 230 I CA 1.274 62.574 61.300 0.000 0.000 1.363 230 I CB -0.106 37.877 38.000 -0.028 0.000 1.051 230 I HN 0.142 nan 8.210 nan 0.000 0.413 231 L N -0.048 121.031 121.223 -0.239 0.000 2.046 231 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 231 L C 2.448 178.977 176.870 -0.568 0.000 1.077 231 L CA 1.483 55.947 54.840 -0.626 0.000 0.747 231 L CB -0.484 40.825 42.059 -1.250 0.000 0.896 231 L HN 0.207 nan 8.230 nan 0.000 0.432 232 I N -0.288 120.112 120.570 -0.284 0.000 2.226 232 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 232 I C 2.325 178.480 176.117 0.064 0.000 1.100 232 I CA 1.352 62.698 61.300 0.078 0.000 1.374 232 I CB -0.219 37.866 38.000 0.142 0.000 1.057 232 I HN 0.217 nan 8.210 nan 0.000 0.413 233 L N -0.404 120.810 121.223 -0.015 0.000 2.353 233 L HA -0.203 4.137 4.340 -0.000 0.000 0.220 233 L C 1.624 178.325 176.870 -0.281 0.000 1.133 233 L CA 1.223 55.994 54.840 -0.114 0.000 0.798 233 L CB -0.602 41.336 42.059 -0.201 0.000 0.922 233 L HN 0.377 nan 8.230 nan 0.000 0.445 234 H N -2.016 116.963 119.070 -0.152 0.000 2.755 234 H HA 0.270 4.826 4.556 -0.000 0.000 0.273 234 H C 1.960 177.270 175.328 -0.030 0.000 1.055 234 H CA 0.411 56.327 56.048 -0.220 0.000 1.191 234 H CB 0.382 29.864 29.762 -0.467 0.000 1.536 234 H HN 0.162 nan 8.280 nan 0.000 0.529 235 A N 0.308 123.197 122.820 0.115 0.000 1.892 235 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 235 A C 0.577 178.176 177.584 0.025 0.000 1.188 235 A CA 2.043 54.151 52.037 0.118 0.000 0.631 235 A CB -0.075 19.038 19.000 0.188 0.000 0.822 235 A HN 0.472 nan 8.150 nan 0.000 0.447 236 D N -4.721 115.706 120.400 0.045 0.000 2.736 236 D HA 0.429 5.069 4.640 -0.000 0.000 0.223 236 D C -0.958 175.570 176.300 0.379 0.000 1.231 236 D CA -0.519 53.551 54.000 0.118 0.000 0.818 236 D CB 0.821 41.608 40.800 -0.022 0.000 1.587 236 D HN 0.190 nan 8.370 nan 0.000 0.463 237 H N 3.393 122.603 119.070 0.234 0.000 3.083 237 H HA 0.174 4.730 4.556 -0.000 0.000 0.217 237 H C 0.022 175.463 175.328 0.187 0.000 1.397 237 H CA -0.134 56.064 56.048 0.250 0.000 1.248 237 H CB 0.233 30.169 29.762 0.291 0.000 2.199 237 H HN 0.713 nan 8.280 nan 0.000 0.521 238 E N 0.306 120.541 120.200 0.058 0.000 3.365 238 E HA -0.241 4.109 4.350 -0.000 0.000 0.286 238 E C -0.366 176.273 176.600 0.066 0.000 1.466 238 E CA 1.118 57.520 56.400 0.004 0.000 1.995 238 E CB -0.357 29.244 29.700 -0.164 0.000 1.981 238 E HN 0.459 nan 8.360 nan 0.000 0.495 239 Q N 1.415 121.227 119.800 0.021 0.000 2.938 239 Q HA 0.140 4.480 4.340 -0.000 0.000 0.343 239 Q C -0.216 175.812 176.000 0.047 0.000 1.185 239 Q CA 0.415 56.242 55.803 0.038 0.000 0.939 239 Q CB -1.092 27.642 28.738 -0.006 0.000 1.480 239 Q HN 0.331 nan 8.270 nan 0.000 0.442 240 N N -1.096 117.675 118.700 0.118 0.000 2.288 240 N HA 0.142 4.882 4.740 -0.000 0.000 0.237 240 N C 1.112 176.633 175.510 0.020 0.000 1.311 240 N CA 0.357 53.455 53.050 0.081 0.000 0.909 240 N CB 0.537 39.178 38.487 0.255 0.000 1.167 240 N HN 0.021 nan 8.380 nan 0.000 0.476 241 A N 0.090 122.796 122.820 -0.190 0.000 1.908 241 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 241 A C 2.231 179.865 177.584 0.082 0.000 1.181 241 A CA 2.232 54.200 52.037 -0.115 0.000 0.627 241 A CB -1.589 17.263 19.000 -0.246 0.000 0.818 241 A HN 0.831 nan 8.150 nan 0.000 0.445 242 S N -1.509 114.403 115.700 0.354 0.000 2.371 242 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 242 S C 1.860 176.548 174.600 0.147 0.000 1.029 242 S CA 1.787 60.172 58.200 0.309 0.000 0.978 242 S CB -1.104 62.436 63.200 0.567 0.000 0.833 242 S HN 0.446 nan 8.310 nan 0.000 0.466 243 T N 2.312 117.095 114.554 0.382 0.000 2.821 243 T HA 0.009 4.359 4.350 -0.000 0.000 0.267 243 T C 2.056 176.823 174.700 0.112 0.000 1.046 243 T CA 1.529 63.821 62.100 0.320 0.000 1.139 243 T CB -0.538 68.558 68.868 0.381 0.000 0.871 243 T HN 0.511 nan 8.240 nan 0.000 0.454 244 S N 0.853 116.593 115.700 0.067 0.000 2.402 244 S HA -0.081 4.389 4.470 -0.000 0.000 0.229 244 S C 2.305 176.881 174.600 -0.041 0.000 1.021 244 S CA 1.121 59.313 58.200 -0.013 0.000 0.974 244 S CB -0.413 62.755 63.200 -0.053 0.000 0.800 244 S HN 0.524 nan 8.310 nan 0.000 0.484 245 T N 1.886 116.413 114.554 -0.044 0.000 2.812 245 T HA -0.008 4.342 4.350 -0.000 0.000 0.264 245 T C 1.957 176.598 174.700 -0.099 0.000 1.042 245 T CA 0.926 62.982 62.100 -0.073 0.000 1.140 245 T CB -0.336 68.480 68.868 -0.087 0.000 0.870 245 T HN 0.172 nan 8.240 nan 0.000 0.445 246 V N 1.510 121.335 119.914 -0.148 0.000 2.295 246 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 246 V C 2.649 178.755 176.094 0.020 0.000 1.049 246 V CA 1.677 63.897 62.300 -0.134 0.000 1.024 246 V CB -0.521 31.188 31.823 -0.190 0.000 0.648 246 V HN 0.369 nan 8.190 nan 0.000 0.447 247 R N -0.762 119.760 120.500 0.037 0.000 2.081 247 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 247 R C 2.328 178.641 176.300 0.021 0.000 1.131 247 R CA 1.361 57.493 56.100 0.054 0.000 0.960 247 R CB -0.367 29.944 30.300 0.018 0.000 0.856 247 R HN 0.411 nan 8.270 nan 0.000 0.436 248 L N 0.048 121.261 121.223 -0.017 0.000 2.027 248 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 248 L C 2.454 179.322 176.870 -0.003 0.000 1.074 248 L CA 1.364 56.187 54.840 -0.028 0.000 0.745 248 L CB -0.336 41.693 42.059 -0.049 0.000 0.898 248 L HN 0.229 nan 8.230 nan 0.000 0.433 249 A N -0.490 122.328 122.820 -0.002 0.000 1.930 249 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 249 A C 2.261 179.879 177.584 0.056 0.000 1.175 249 A CA 1.513 53.554 52.037 0.007 0.000 0.627 249 A CB -1.235 17.749 19.000 -0.027 0.000 0.815 249 A HN 0.502 nan 8.150 nan 0.000 0.443 250 G N 0.003 108.874 108.800 0.118 0.000 2.443 250 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 250 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 250 G C 1.849 176.845 174.900 0.160 0.000 1.131 250 G CA 1.554 46.812 45.100 0.263 0.000 0.775 250 G HN 0.870 nan 8.290 nan 0.000 0.547 251 S N 0.851 116.595 115.700 0.072 0.000 2.469 251 S HA -0.150 4.320 4.470 -0.000 0.000 0.238 251 S C 2.188 176.803 174.600 0.025 0.000 0.998 251 S CA 1.967 60.181 58.200 0.023 0.000 0.957 251 S CB -0.744 62.453 63.200 -0.005 0.000 0.764 251 S HN 0.498 nan 8.310 nan 0.000 0.514 252 T N -3.097 111.481 114.554 0.040 0.000 3.100 252 T HA 0.467 4.817 4.350 -0.000 0.000 0.253 252 T C 1.549 176.277 174.700 0.048 0.000 1.118 252 T CA 0.664 62.783 62.100 0.033 0.000 1.058 252 T CB -0.315 68.569 68.868 0.027 0.000 0.953 252 T HN 1.268 nan 8.240 nan 0.000 0.515 253 G N 1.002 109.849 108.800 0.079 0.000 2.141 253 G HA2 0.012 3.972 3.960 -0.000 0.000 0.231 253 G HA3 0.012 3.972 3.960 -0.000 0.000 0.231 253 G C 0.279 175.254 174.900 0.125 0.000 0.984 253 G CA -0.150 45.010 45.100 0.101 0.000 0.660 253 G HN 1.136 nan 8.290 nan 0.000 0.525 254 A N 0.043 122.932 122.820 0.116 0.000 2.445 254 A HA 0.514 4.834 4.320 -0.000 0.000 0.242 254 A C 0.879 178.520 177.584 0.094 0.000 1.075 254 A CA 0.371 52.459 52.037 0.086 0.000 0.777 254 A CB 0.218 19.247 19.000 0.048 0.000 1.013 254 A HN 0.791 nan 8.150 nan 0.000 0.493 255 N N 2.375 121.112 118.700 0.062 0.000 2.294 255 N HA -0.033 4.707 4.740 -0.000 0.000 0.263 255 N C -1.337 174.130 175.510 -0.073 0.000 1.281 255 N CA -0.926 52.158 53.050 0.056 0.000 0.846 255 N CB 0.850 39.389 38.487 0.087 0.000 1.061 255 N HN 0.343 nan 8.380 nan 0.000 0.478 256 P HA -0.141 nan 4.420 nan 0.000 0.219 256 P C 1.206 178.190 177.300 -0.526 0.000 1.146 256 P CA 1.263 63.887 63.100 -0.794 0.000 0.808 256 P CB -0.028 30.729 31.700 -1.571 0.000 0.779 257 F N 1.142 120.920 119.950 -0.287 0.000 2.134 257 F HA -0.073 4.453 4.527 -0.000 0.000 0.299 257 F C 2.751 178.455 175.800 -0.160 0.000 1.097 257 F CA 1.480 59.373 58.000 -0.178 0.000 1.264 257 F CB -1.388 37.575 39.000 -0.063 0.000 1.001 257 F HN -0.060 nan 8.300 nan 0.000 0.479 258 A N -1.153 121.695 122.820 0.046 0.000 1.969 258 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 258 A C 2.228 179.751 177.584 -0.101 0.000 1.169 258 A CA 1.540 53.564 52.037 -0.022 0.000 0.635 258 A CB -1.448 17.547 19.000 -0.009 0.000 0.810 258 A HN 0.485 nan 8.150 nan 0.000 0.445 259 C N -0.395 118.808 119.300 -0.163 0.000 2.425 259 C HA -0.068 4.392 4.460 -0.000 0.000 0.277 259 C C 2.463 177.281 174.990 -0.286 0.000 1.280 259 C CA 0.659 59.551 59.018 -0.209 0.000 1.744 259 C CB -1.023 26.561 27.740 -0.260 0.000 1.989 259 C HN 0.574 nan 8.230 nan 0.000 0.491 260 I N 1.612 122.003 120.570 -0.298 0.000 2.394 260 I HA -0.124 4.046 4.170 -0.000 0.000 0.251 260 I C 2.727 178.657 176.117 -0.312 0.000 1.136 260 I CA 1.714 62.821 61.300 -0.321 0.000 1.425 260 I CB -1.642 36.257 38.000 -0.169 0.000 1.079 260 I HN 0.258 nan 8.210 nan 0.000 0.425 261 A N 0.927 123.636 122.820 -0.186 0.000 1.933 261 A HA -0.114 4.205 4.320 -0.000 0.000 0.218 261 A C 2.573 180.054 177.584 -0.173 0.000 1.175 261 A CA 1.836 53.790 52.037 -0.138 0.000 0.628 261 A CB -0.649 18.303 19.000 -0.080 0.000 0.814 261 A HN 0.397 nan 8.150 nan 0.000 0.444 262 A N -0.503 122.199 122.820 -0.197 0.000 1.933 262 A HA 0.141 4.461 4.320 -0.000 0.000 0.218 262 A C 2.381 179.798 177.584 -0.278 0.000 1.175 262 A CA 1.849 53.778 52.037 -0.180 0.000 0.628 262 A CB -1.286 17.622 19.000 -0.153 0.000 0.814 262 A HN 0.702 nan 8.150 nan 0.000 0.444 263 G N -0.040 108.436 108.800 -0.540 0.000 2.408 263 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 263 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 263 G C 1.508 175.986 174.900 -0.704 0.000 1.150 263 G CA 1.050 45.599 45.100 -0.919 0.000 0.776 263 G HN 0.474 nan 8.290 nan 0.000 0.542 264 I N 1.348 121.604 120.570 -0.524 0.000 2.226 264 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 264 I C 3.281 179.408 176.117 0.016 0.000 1.100 264 I CA 0.889 62.131 61.300 -0.098 0.000 1.374 264 I CB -0.182 37.792 38.000 -0.044 0.000 1.057 264 I HN 0.246 nan 8.210 nan 0.000 0.413 265 A N 0.833 123.657 122.820 0.006 0.000 1.883 265 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 265 A C 2.555 180.231 177.584 0.154 0.000 1.186 265 A CA 2.028 54.152 52.037 0.145 0.000 0.624 265 A CB -0.919 18.129 19.000 0.079 0.000 0.822 265 A HN 0.430 nan 8.150 nan 0.000 0.444 266 A N -0.769 122.090 122.820 0.065 0.000 1.902 266 A HA -0.037 4.282 4.320 -0.000 0.000 0.217 266 A C 2.130 179.843 177.584 0.215 0.000 1.181 266 A CA 1.698 53.807 52.037 0.121 0.000 0.623 266 A CB -0.624 18.431 19.000 0.092 0.000 0.818 266 A HN 0.651 nan 8.150 nan 0.000 0.443 267 L N -1.591 119.721 121.223 0.149 0.000 2.131 267 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 267 L C 2.129 179.032 176.870 0.055 0.000 1.092 267 L CA 1.641 56.444 54.840 -0.062 0.000 0.759 267 L CB -0.517 41.504 42.059 -0.064 0.000 0.903 267 L HN 0.660 nan 8.230 nan 0.000 0.435 268 W N 1.221 122.494 121.300 -0.046 0.000 2.350 268 W HA 0.027 4.687 4.660 0.000 0.000 0.289 268 W C 1.401 177.913 176.519 -0.012 0.000 1.215 268 W CA 0.641 57.962 57.345 -0.041 0.000 1.236 268 W CB -1.121 28.304 29.460 -0.058 0.000 1.130 268 W HN 0.175 nan 8.180 nan 0.000 0.541 269 G N 1.132 110.020 108.800 0.147 0.000 2.321 269 G HA2 0.035 3.995 3.960 -0.000 0.000 0.237 269 G HA3 0.035 3.995 3.960 -0.000 0.000 0.237 269 G C -1.726 173.236 174.900 0.104 0.000 1.282 269 G CA -0.499 44.627 45.100 0.042 0.000 0.886 269 G HN 0.050 nan 8.290 nan 0.000 0.528 270 P HA -0.062 nan 4.420 nan 0.000 0.225 270 P C 1.638 179.030 177.300 0.153 0.000 1.148 270 P CA 1.460 64.629 63.100 0.115 0.000 0.779 270 P CB 0.351 32.096 31.700 0.076 0.000 0.780 271 A N -2.547 120.357 122.820 0.140 0.000 2.178 271 A HA -0.032 4.288 4.320 -0.000 0.000 0.211 271 A C 1.550 179.258 177.584 0.207 0.000 1.157 271 A CA 0.954 53.079 52.037 0.147 0.000 0.780 271 A CB -0.773 18.283 19.000 0.092 0.000 0.828 271 A HN 0.179 nan 8.150 nan 0.000 0.476 272 H N -1.780 117.352 119.070 0.104 0.000 3.892 272 H HA 0.470 5.026 4.556 0.000 0.000 0.288 272 H C 1.949 177.360 175.328 0.138 0.000 1.526 272 H CA 0.402 56.513 56.048 0.104 0.000 1.387 272 H CB -0.318 29.485 29.762 0.068 0.000 0.780 272 H HN 0.025 nan 8.280 nan 0.000 0.713 273 G N -0.712 107.982 108.800 -0.177 0.000 2.462 273 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 273 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 273 G C 1.484 176.486 174.900 0.170 0.000 1.121 273 G CA 0.792 45.781 45.100 -0.185 0.000 0.758 273 G HN 0.624 nan 8.290 nan 0.000 0.559 274 G N 0.652 109.564 108.800 0.187 0.000 2.559 274 G HA2 0.135 4.095 3.960 -0.000 0.000 0.216 274 G HA3 0.135 4.095 3.960 -0.000 0.000 0.216 274 G C 1.809 176.864 174.900 0.259 0.000 1.126 274 G CA 1.144 46.398 45.100 0.258 0.000 0.778 274 G HN 0.585 nan 8.290 nan 0.000 0.543 275 A N 1.956 124.935 122.820 0.266 0.000 2.070 275 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 275 A C 2.211 179.963 177.584 0.281 0.000 1.159 275 A CA 1.891 54.087 52.037 0.266 0.000 0.656 275 A CB -0.392 18.778 19.000 0.283 0.000 0.800 275 A HN 0.536 nan 8.150 nan 0.000 0.453 276 N N 0.401 119.297 118.700 0.327 0.000 2.244 276 N HA -0.183 4.557 4.740 -0.000 0.000 0.183 276 N C 1.432 177.176 175.510 0.391 0.000 1.016 276 N CA 1.658 54.895 53.050 0.311 0.000 0.866 276 N CB -0.581 38.080 38.487 0.290 0.000 0.980 276 N HN 0.707 nan 8.380 nan 0.000 0.430 277 E N 0.107 120.542 120.200 0.391 0.000 2.112 277 E HA 0.054 4.404 4.350 -0.000 0.000 0.190 277 E C 1.783 178.516 176.600 0.222 0.000 0.979 277 E CA 0.761 57.357 56.400 0.328 0.000 0.814 277 E CB -0.164 29.690 29.700 0.257 0.000 0.762 277 E HN 0.434 nan 8.360 nan 0.000 0.460 278 A N 0.545 123.489 122.820 0.207 0.000 1.969 278 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 278 A C 2.334 179.998 177.584 0.134 0.000 1.169 278 A CA 1.127 53.259 52.037 0.159 0.000 0.635 278 A CB -0.502 18.598 19.000 0.165 0.000 0.810 278 A HN 0.220 nan 8.150 nan 0.000 0.445 279 V N -0.575 119.428 119.914 0.149 0.000 2.295 279 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 279 V C 2.467 178.570 176.094 0.015 0.000 1.049 279 V CA 1.950 64.297 62.300 0.077 0.000 1.024 279 V CB -0.633 31.217 31.823 0.045 0.000 0.648 279 V HN 0.534 nan 8.190 nan 0.000 0.447 280 L N -0.379 120.898 121.223 0.089 0.000 2.141 280 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 280 L C 2.358 179.247 176.870 0.032 0.000 1.094 280 L CA 1.857 56.745 54.840 0.079 0.000 0.763 280 L CB -0.569 41.635 42.059 0.241 0.000 0.908 280 L HN 0.231 nan 8.230 nan 0.000 0.437 281 K N -1.267 119.159 120.400 0.044 0.000 2.097 281 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 281 K C 2.086 178.673 176.600 -0.021 0.000 1.050 281 K CA 1.645 57.943 56.287 0.018 0.000 0.938 281 K CB -0.201 32.324 32.500 0.041 0.000 0.718 281 K HN 0.324 nan 8.250 nan 0.000 0.442 282 M N 1.015 120.595 119.600 -0.034 0.000 2.086 282 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 282 M C 1.836 178.008 176.300 -0.213 0.000 1.067 282 M CA 1.630 56.854 55.300 -0.126 0.000 1.116 282 M CB -0.068 32.472 32.600 -0.100 0.000 1.348 282 M HN 0.105 nan 8.290 nan 0.000 0.407 283 L N 0.382 121.506 121.223 -0.165 0.000 2.046 283 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 283 L C 2.842 179.641 176.870 -0.119 0.000 1.077 283 L CA 1.295 56.035 54.840 -0.167 0.000 0.747 283 L CB -1.075 40.893 42.059 -0.150 0.000 0.896 283 L HN 0.436 nan 8.230 nan 0.000 0.432 284 A N 0.024 122.798 122.820 -0.078 0.000 1.902 284 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 284 A C 2.437 179.987 177.584 -0.057 0.000 1.181 284 A CA 1.811 53.818 52.037 -0.050 0.000 0.623 284 A CB -0.582 18.403 19.000 -0.025 0.000 0.818 284 A HN 0.345 nan 8.150 nan 0.000 0.443 285 R N -0.389 120.068 120.500 -0.071 0.000 2.096 285 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 285 R C 1.897 178.146 176.300 -0.085 0.000 1.127 285 R CA 1.613 57.675 56.100 -0.064 0.000 0.968 285 R CB -0.348 29.916 30.300 -0.059 0.000 0.861 285 R HN 0.569 nan 8.270 nan 0.000 0.440 286 I N -0.509 119.969 120.570 -0.153 0.000 2.202 286 I HA -0.125 4.045 4.170 -0.000 0.000 0.242 286 I C 2.037 178.108 176.117 -0.075 0.000 1.091 286 I CA 1.332 62.543 61.300 -0.148 0.000 1.368 286 I CB -0.352 37.493 38.000 -0.257 0.000 1.058 286 I HN 0.603 nan 8.210 nan 0.000 0.410 287 G N 1.298 110.055 108.800 -0.071 0.000 3.639 287 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.224 287 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.224 287 G C 0.450 175.334 174.900 -0.026 0.000 1.339 287 G CA 0.878 45.954 45.100 -0.040 0.000 0.933 287 G HN 0.491 nan 8.290 nan 0.000 0.568 288 K N -0.237 120.152 120.400 -0.019 0.000 2.509 288 K HA 0.696 5.016 4.320 -0.000 0.000 0.266 288 K C 0.596 177.196 176.600 0.000 0.000 0.987 288 K CA -0.616 55.668 56.287 -0.005 0.000 0.868 288 K CB 1.652 34.153 32.500 0.001 0.000 1.421 288 K HN 0.086 nan 8.250 nan 0.000 0.444 289 K N 1.276 121.682 120.400 0.010 0.000 2.074 289 K HA -0.262 4.058 4.320 -0.000 0.000 0.209 289 K C 1.760 178.374 176.600 0.023 0.000 1.048 289 K CA 2.397 58.695 56.287 0.019 0.000 0.926 289 K CB -0.153 32.361 32.500 0.024 0.000 0.713 289 K HN 0.806 nan 8.250 nan 0.000 0.444 290 E N 0.900 121.112 120.200 0.019 0.000 2.273 290 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 290 E C 1.013 177.630 176.600 0.029 0.000 1.002 290 E CA 1.200 57.613 56.400 0.022 0.000 0.828 290 E CB -0.173 29.538 29.700 0.018 0.000 0.747 290 E HN 0.283 nan 8.360 nan 0.000 0.491 291 N N 0.303 119.020 118.700 0.028 0.000 2.280 291 N HA 0.143 4.882 4.740 -0.000 0.000 0.192 291 N C 1.609 177.166 175.510 0.077 0.000 1.109 291 N CA 0.149 53.224 53.050 0.042 0.000 0.855 291 N CB 0.242 38.742 38.487 0.022 0.000 0.974 291 N HN 0.316 nan 8.380 nan 0.000 0.482 292 I N 1.726 122.339 120.570 0.072 0.000 2.202 292 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 292 I C -0.671 175.527 176.117 0.135 0.000 1.091 292 I CA 1.119 62.490 61.300 0.119 0.000 1.368 292 I CB -1.191 36.855 38.000 0.077 0.000 1.058 292 I HN -0.009 nan 8.210 nan 0.000 0.410 293 P HA -0.223 nan 4.420 nan 0.000 0.214 293 P C 1.535 178.867 177.300 0.053 0.000 1.163 293 P CA 2.046 65.179 63.100 0.055 0.000 0.889 293 P CB -0.066 31.656 31.700 0.038 0.000 0.790 294 A N -1.472 121.388 122.820 0.066 0.000 1.948 294 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 294 A C 2.152 179.782 177.584 0.077 0.000 1.177 294 A CA 1.656 53.728 52.037 0.058 0.000 0.636 294 A CB -1.838 17.202 19.000 0.068 0.000 0.815 294 A HN 0.153 nan 8.150 nan 0.000 0.449 295 F N 0.553 120.497 119.950 -0.011 0.000 2.084 295 F HA -0.105 4.422 4.527 0.000 0.000 0.296 295 F C 1.994 177.782 175.800 -0.019 0.000 1.111 295 F CA 1.322 59.315 58.000 -0.012 0.000 1.224 295 F CB -0.157 38.838 39.000 -0.008 0.000 0.991 295 F HN 0.125 nan 8.300 nan 0.000 0.471 296 I N 0.780 121.302 120.570 -0.080 0.000 2.335 296 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 296 I C 2.625 178.619 176.117 -0.205 0.000 1.129 296 I CA 1.448 62.659 61.300 -0.149 0.000 1.402 296 I CB -2.076 35.931 38.000 0.011 0.000 1.069 296 I HN 0.260 nan 8.210 nan 0.000 0.424 297 A N 0.034 122.767 122.820 -0.146 0.000 1.969 297 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 297 A C 2.232 179.693 177.584 -0.204 0.000 1.169 297 A CA 1.045 52.995 52.037 -0.145 0.000 0.635 297 A CB -0.422 18.532 19.000 -0.076 0.000 0.810 297 A HN 0.484 nan 8.150 nan 0.000 0.445 298 Q N -0.500 119.155 119.800 -0.240 0.000 2.079 298 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 298 Q C 2.093 177.896 176.000 -0.329 0.000 0.974 298 Q CA 1.480 57.136 55.803 -0.244 0.000 0.840 298 Q CB -0.314 28.291 28.738 -0.221 0.000 0.898 298 Q HN 0.475 nan 8.270 nan 0.000 0.430 299 V N 1.550 121.172 119.914 -0.488 0.000 2.332 299 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 299 V C 2.009 177.760 176.094 -0.571 0.000 1.055 299 V CA 1.801 63.814 62.300 -0.478 0.000 1.038 299 V CB -0.400 31.148 31.823 -0.459 0.000 0.651 299 V HN 0.300 nan 8.190 nan 0.000 0.450 300 K N -0.275 119.736 120.400 -0.648 0.000 2.217 300 K HA -0.083 4.237 4.320 -0.000 0.000 0.202 300 K C 0.788 177.169 176.600 -0.365 0.000 1.051 300 K CA 0.505 56.326 56.287 -0.776 0.000 0.952 300 K CB -0.189 31.988 32.500 -0.539 0.000 0.736 300 K HN 0.391 nan 8.250 nan 0.000 0.453 301 D N 2.028 122.276 120.400 -0.254 0.000 2.346 301 D HA -0.021 4.619 4.640 -0.000 0.000 0.267 301 D C 0.366 176.603 176.300 -0.104 0.000 1.320 301 D CA 0.412 54.326 54.000 -0.143 0.000 0.951 301 D CB 0.637 41.366 40.800 -0.118 0.000 1.079 301 D HN -0.069 nan 8.370 nan 0.000 0.509 302 K N 2.413 122.776 120.400 -0.062 0.000 2.442 302 K HA -0.169 4.151 4.320 -0.000 0.000 0.200 302 K C 0.708 177.293 176.600 -0.025 0.000 1.045 302 K CA 0.890 57.162 56.287 -0.026 0.000 0.937 302 K CB 0.148 32.645 32.500 -0.005 0.000 0.757 302 K HN 0.334 nan 8.250 nan 0.000 0.474 303 N N -1.008 117.672 118.700 -0.033 0.000 2.282 303 N HA -0.044 4.696 4.740 -0.000 0.000 0.185 303 N C 1.361 176.856 175.510 -0.026 0.000 1.099 303 N CA 0.568 53.604 53.050 -0.024 0.000 0.878 303 N CB 0.529 39.003 38.487 -0.022 0.000 0.993 303 N HN 0.114 nan 8.380 nan 0.000 0.481 304 S N -0.812 114.863 115.700 -0.040 0.000 2.436 304 S HA 0.131 4.601 4.470 -0.000 0.000 0.228 304 S C 1.700 176.287 174.600 -0.023 0.000 1.014 304 S CA 0.726 58.904 58.200 -0.037 0.000 0.950 304 S CB -0.332 62.831 63.200 -0.061 0.000 0.784 304 S HN 0.315 nan 8.310 nan 0.000 0.504 305 G N 0.511 109.298 108.800 -0.022 0.000 2.155 305 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 305 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 305 G C 0.040 174.944 174.900 0.006 0.000 0.983 305 G CA 0.254 45.352 45.100 -0.002 0.000 0.676 305 G HN 0.713 nan 8.290 nan 0.000 0.528 306 V N 1.472 121.371 119.914 -0.024 0.000 2.465 306 V HA 0.558 4.678 4.120 -0.000 0.000 0.279 306 V C 0.268 176.341 176.094 -0.035 0.000 1.045 306 V CA -0.364 61.926 62.300 -0.018 0.000 0.938 306 V CB 1.610 33.383 31.823 -0.083 0.000 0.986 306 V HN 0.236 nan 8.190 nan 0.000 0.467 307 K N 3.535 123.972 120.400 0.063 0.000 2.267 307 K HA 0.518 4.838 4.320 -0.000 0.000 0.246 307 K C -0.860 175.873 176.600 0.221 0.000 0.954 307 K CA -1.094 55.261 56.287 0.112 0.000 0.824 307 K CB 2.462 35.055 32.500 0.154 0.000 1.167 307 K HN 0.444 nan 8.250 nan 0.000 0.431 308 L N 3.751 125.128 121.223 0.257 0.000 2.385 308 L HA 0.187 4.527 4.340 -0.000 0.000 0.285 308 L C -0.395 176.701 176.870 0.377 0.000 1.125 308 L CA -0.026 55.021 54.840 0.346 0.000 0.890 308 L CB -0.191 41.960 42.059 0.153 0.000 1.251 308 L HN 0.455 nan 8.230 nan 0.000 0.445 309 M N 4.046 123.872 119.600 0.376 0.000 2.250 309 M HA 0.211 4.691 4.480 -0.000 0.000 0.337 309 M C 1.512 178.091 176.300 0.465 0.000 1.161 309 M CA 0.930 56.440 55.300 0.349 0.000 1.088 309 M CB -0.492 32.270 32.600 0.270 0.000 1.639 309 M HN 0.817 nan 8.290 nan 0.000 0.447 310 G N 1.854 110.919 108.800 0.442 0.000 2.176 310 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.253 310 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.253 310 G C -0.247 174.917 174.900 0.440 0.000 0.979 310 G CA -0.390 45.024 45.100 0.524 0.000 0.641 310 G HN 0.525 nan 8.290 nan 0.000 0.530 311 F N 0.662 120.719 119.950 0.178 0.000 2.561 311 F HA 0.676 5.203 4.527 -0.000 0.000 0.321 311 F C 0.817 176.731 175.800 0.189 0.000 1.065 311 F CA 0.278 58.340 58.000 0.102 0.000 0.934 311 F CB 2.160 41.201 39.000 0.068 0.000 1.215 311 F HN 1.116 nan 8.300 nan 0.000 0.471 312 G N 2.139 111.104 108.800 0.276 0.000 2.690 312 G HA2 0.172 4.132 3.960 -0.000 0.000 0.686 312 G HA3 0.172 4.132 3.960 -0.000 0.000 0.686 312 G C -1.737 173.349 174.900 0.310 0.000 1.277 312 G CA -0.763 44.505 45.100 0.280 0.000 0.799 312 G HN 1.078 nan 8.290 nan 0.000 0.613 313 H N 0.212 119.381 119.070 0.166 0.000 3.094 313 H HA 0.394 4.950 4.556 -0.000 0.000 0.335 313 H C 1.143 176.535 175.328 0.106 0.000 1.254 313 H CA -0.143 56.003 56.048 0.164 0.000 1.240 313 H CB 1.708 31.616 29.762 0.244 0.000 1.936 313 H HN 0.658 nan 8.280 nan 0.000 0.536 314 R N 2.116 122.541 120.500 -0.125 0.000 2.092 314 R HA -0.002 4.338 4.340 -0.000 0.000 0.231 314 R C 0.804 177.162 176.300 0.097 0.000 1.119 314 R CA 2.270 58.360 56.100 -0.016 0.000 0.970 314 R CB -0.454 29.790 30.300 -0.093 0.000 0.864 314 R HN 0.331 nan 8.270 nan 0.000 0.440 315 V N -0.941 119.143 119.914 0.283 0.000 2.521 315 V HA 0.115 4.235 4.120 -0.000 0.000 0.239 315 V C 0.470 176.570 176.094 0.011 0.000 1.053 315 V CA 0.282 62.635 62.300 0.088 0.000 1.073 315 V CB -0.416 31.348 31.823 -0.098 0.000 0.746 315 V HN 0.101 nan 8.190 nan 0.000 0.476 316 Y N 1.629 121.987 120.300 0.097 0.000 2.526 316 Y HA 0.158 4.708 4.550 -0.000 0.000 0.330 316 Y C 0.991 176.883 175.900 -0.015 0.000 1.156 316 Y CA 0.192 58.235 58.100 -0.095 0.000 1.419 316 Y CB 0.462 38.753 38.460 -0.283 0.000 1.250 316 Y HN 0.003 nan 8.280 nan 0.000 0.540 317 K N 3.186 123.644 120.400 0.097 0.000 3.084 317 K HA 0.268 4.588 4.320 -0.000 0.000 0.210 317 K C -0.873 175.655 176.600 -0.121 0.000 1.137 317 K CA -0.194 56.136 56.287 0.073 0.000 1.010 317 K CB -0.014 32.527 32.500 0.069 0.000 0.806 317 K HN 0.664 nan 8.250 nan 0.000 0.460 318 N N -0.254 118.166 118.700 -0.465 0.000 3.339 318 N HA 0.272 5.012 4.740 -0.000 0.000 0.275 318 N C -1.222 173.542 175.510 -1.243 0.000 1.514 318 N CA -0.590 51.773 53.050 -1.145 0.000 0.879 318 N CB 0.510 38.727 38.487 -0.449 0.000 1.557 318 N HN -0.117 nan 8.380 nan 0.000 0.524 319 F N 1.203 120.598 119.950 -0.925 0.000 2.563 319 F HA 0.068 4.595 4.527 -0.000 0.000 0.363 319 F C 1.426 176.864 175.800 -0.603 0.000 1.123 319 F CA 0.198 57.868 58.000 -0.549 0.000 1.307 319 F CB 0.289 39.100 39.000 -0.315 0.000 1.115 319 F HN 0.212 nan 8.300 nan 0.000 0.592 320 D N 5.680 125.802 120.400 -0.464 0.000 2.317 320 D HA 0.082 4.722 4.640 -0.000 0.000 0.252 320 D C -1.480 174.524 176.300 -0.495 0.000 1.174 320 D CA -2.297 51.162 54.000 -0.902 0.000 0.866 320 D CB 1.385 41.830 40.800 -0.592 0.000 1.127 320 D HN 0.162 nan 8.370 nan 0.000 0.467 321 P HA -0.117 nan 4.420 nan 0.000 0.222 321 P C 0.927 178.131 177.300 -0.161 0.000 1.147 321 P CA 0.832 63.799 63.100 -0.222 0.000 0.790 321 P CB 0.446 32.060 31.700 -0.143 0.000 0.780 322 R N -0.126 120.262 120.500 -0.187 0.000 2.119 322 R HA 0.130 4.470 4.340 -0.000 0.000 0.222 322 R C 2.509 178.743 176.300 -0.111 0.000 1.088 322 R CA 1.079 57.092 56.100 -0.146 0.000 0.984 322 R CB -0.756 29.428 30.300 -0.192 0.000 0.884 322 R HN 0.125 nan 8.270 nan 0.000 0.447 323 A N 2.437 125.201 122.820 -0.094 0.000 1.968 323 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 323 A C 2.049 179.658 177.584 0.041 0.000 1.169 323 A CA 1.377 53.441 52.037 0.044 0.000 0.638 323 A CB -0.318 18.721 19.000 0.064 0.000 0.812 323 A HN 0.303 nan 8.150 nan 0.000 0.446 324 K N 0.108 120.481 120.400 -0.045 0.000 2.025 324 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 324 K C 1.765 178.308 176.600 -0.095 0.000 1.049 324 K CA 1.894 58.128 56.287 -0.088 0.000 0.933 324 K CB -0.494 31.931 32.500 -0.126 0.000 0.714 324 K HN 0.431 nan 8.250 nan 0.000 0.438 325 I N 0.738 121.258 120.570 -0.083 0.000 2.315 325 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 325 I C 2.733 178.801 176.117 -0.081 0.000 1.117 325 I CA 0.821 62.076 61.300 -0.075 0.000 1.404 325 I CB -0.180 37.783 38.000 -0.062 0.000 1.071 325 I HN 0.174 nan 8.210 nan 0.000 0.419 326 M N 0.590 120.147 119.600 -0.071 0.000 2.080 326 M HA -0.272 4.208 4.480 -0.000 0.000 0.260 326 M C 2.312 178.517 176.300 -0.157 0.000 1.068 326 M CA 1.908 57.174 55.300 -0.057 0.000 1.109 326 M CB -0.515 32.110 32.600 0.043 0.000 1.342 326 M HN 0.160 nan 8.290 nan 0.000 0.405 327 Q N -0.671 118.951 119.800 -0.297 0.000 2.050 327 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 327 Q C 2.045 177.860 176.000 -0.309 0.000 0.980 327 Q CA 1.960 57.397 55.803 -0.609 0.000 0.840 327 Q CB -0.139 28.145 28.738 -0.756 0.000 0.898 327 Q HN 0.642 nan 8.270 nan 0.000 0.424 328 Q N -0.619 119.101 119.800 -0.134 0.000 2.112 328 Q HA -0.165 4.175 4.340 -0.000 0.000 0.206 328 Q C 2.032 178.002 176.000 -0.050 0.000 0.987 328 Q CA 2.076 57.865 55.803 -0.025 0.000 0.858 328 Q CB -0.082 28.631 28.738 -0.040 0.000 0.905 328 Q HN 0.385 nan 8.270 nan 0.000 0.420 329 T N -0.092 114.408 114.554 -0.091 0.000 2.881 329 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 329 T C 1.915 176.546 174.700 -0.114 0.000 1.068 329 T CA 0.889 62.942 62.100 -0.079 0.000 1.131 329 T CB -0.298 68.530 68.868 -0.067 0.000 0.871 329 T HN 0.388 nan 8.240 nan 0.000 0.479 330 C N 0.809 119.980 119.300 -0.215 0.000 2.446 330 C HA -0.057 4.403 4.460 -0.000 0.000 0.277 330 C C 2.668 177.487 174.990 -0.284 0.000 1.275 330 C CA 0.249 59.096 59.018 -0.286 0.000 1.727 330 C CB -1.042 26.425 27.740 -0.454 0.000 2.010 330 C HN 0.615 nan 8.230 nan 0.000 0.486 331 H N 0.672 119.691 119.070 -0.085 0.000 2.363 331 H HA -0.051 4.505 4.556 -0.000 0.000 0.301 331 H C 2.154 177.451 175.328 -0.050 0.000 1.074 331 H CA 1.384 57.393 56.048 -0.066 0.000 1.354 331 H CB -0.517 29.200 29.762 -0.076 0.000 1.397 331 H HN 0.649 nan 8.280 nan 0.000 0.516 332 E N 0.415 120.647 120.200 0.054 0.000 2.051 332 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 332 E C 2.466 179.065 176.600 -0.002 0.000 0.991 332 E CA 1.124 57.535 56.400 0.018 0.000 0.799 332 E CB 0.006 29.707 29.700 0.002 0.000 0.748 332 E HN 0.084 nan 8.360 nan 0.000 0.449 333 V N 1.604 121.505 119.914 -0.022 0.000 2.295 333 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 333 V C 2.350 178.429 176.094 -0.025 0.000 1.049 333 V CA 1.542 63.826 62.300 -0.027 0.000 1.024 333 V CB -0.446 31.353 31.823 -0.041 0.000 0.648 333 V HN 0.246 nan 8.190 nan 0.000 0.447 334 L N -0.555 120.651 121.223 -0.028 0.000 2.093 334 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 334 L C 2.618 179.485 176.870 -0.005 0.000 1.085 334 L CA 1.750 56.578 54.840 -0.019 0.000 0.755 334 L CB -0.872 41.175 42.059 -0.020 0.000 0.904 334 L HN 0.341 nan 8.230 nan 0.000 0.435 335 T N -0.708 113.850 114.554 0.006 0.000 2.746 335 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 335 T C 1.758 176.456 174.700 -0.003 0.000 1.039 335 T CA 1.390 63.495 62.100 0.007 0.000 1.142 335 T CB -0.106 68.770 68.868 0.014 0.000 0.866 335 T HN 0.381 nan 8.240 nan 0.000 0.444 336 E N 0.402 120.598 120.200 -0.006 0.000 2.150 336 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 336 E C 1.837 178.428 176.600 -0.015 0.000 0.985 336 E CA 0.692 57.086 56.400 -0.010 0.000 0.814 336 E CB -0.107 29.587 29.700 -0.010 0.000 0.752 336 E HN 0.432 nan 8.360 nan 0.000 0.466 337 L N -0.677 120.535 121.223 -0.018 0.000 2.591 337 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 337 L C 1.448 178.305 176.870 -0.021 0.000 1.133 337 L CA 0.341 55.167 54.840 -0.024 0.000 0.880 337 L CB 0.101 42.142 42.059 -0.030 0.000 1.033 337 L HN 0.249 nan 8.230 nan 0.000 0.450 338 G N 0.923 109.714 108.800 -0.015 0.000 2.168 338 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.263 338 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.263 338 G C 0.315 175.208 174.900 -0.012 0.000 0.977 338 G CA -0.121 44.971 45.100 -0.013 0.000 0.659 338 G HN 0.331 nan 8.290 nan 0.000 0.533 339 I N 0.855 121.417 120.570 -0.013 0.000 2.329 339 I HA 0.154 4.324 4.170 -0.000 0.000 0.295 339 I C 1.504 177.618 176.117 -0.004 0.000 1.109 339 I CA -0.029 61.264 61.300 -0.012 0.000 1.297 339 I CB 0.765 38.755 38.000 -0.017 0.000 1.433 339 I HN 0.132 nan 8.210 nan 0.000 0.509 340 K N 3.307 123.706 120.400 -0.001 0.000 2.243 340 K HA 0.009 4.329 4.320 -0.000 0.000 0.201 340 K C -0.368 176.237 176.600 0.009 0.000 1.051 340 K CA 0.577 56.867 56.287 0.005 0.000 0.970 340 K CB -0.067 32.434 32.500 0.002 0.000 0.755 340 K HN 0.580 nan 8.250 nan 0.000 0.465 341 D N 1.385 121.788 120.400 0.005 0.000 2.412 341 D HA 0.153 4.793 4.640 -0.000 0.000 0.224 341 D C -0.964 175.339 176.300 0.006 0.000 1.093 341 D CA -0.418 53.586 54.000 0.006 0.000 0.850 341 D CB 1.031 41.833 40.800 0.003 0.000 1.046 341 D HN -0.127 nan 8.370 nan 0.000 0.507 342 D N 2.590 122.997 120.400 0.012 0.000 2.363 342 D HA 0.120 4.760 4.640 -0.000 0.000 0.258 342 D C -1.770 174.539 176.300 0.014 0.000 1.259 342 D CA -2.069 51.936 54.000 0.008 0.000 0.921 342 D CB 1.844 42.645 40.800 0.002 0.000 1.201 342 D HN 0.095 nan 8.370 nan 0.000 0.524 343 P HA -0.148 nan 4.420 nan 0.000 0.214 343 P C 1.720 179.024 177.300 0.006 0.000 1.163 343 P CA 0.244 63.350 63.100 0.010 0.000 0.883 343 P CB 0.790 32.493 31.700 0.004 0.000 0.788 344 L N -1.090 120.130 121.223 -0.005 0.000 2.187 344 L HA -0.119 4.221 4.340 -0.000 0.000 0.213 344 L C 2.596 179.454 176.870 -0.021 0.000 1.100 344 L CA 1.315 56.141 54.840 -0.024 0.000 0.765 344 L CB -2.060 39.982 42.059 -0.028 0.000 0.904 344 L HN -0.010 nan 8.230 nan 0.000 0.437 345 L N -0.956 120.271 121.223 0.007 0.000 2.109 345 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 345 L C 2.051 178.975 176.870 0.090 0.000 1.086 345 L CA 1.546 56.414 54.840 0.046 0.000 0.760 345 L CB -0.676 41.397 42.059 0.023 0.000 0.910 345 L HN 0.226 nan 8.230 nan 0.000 0.437 346 D N -0.294 120.146 120.400 0.067 0.000 2.097 346 D HA -0.209 4.431 4.640 -0.000 0.000 0.195 346 D C 2.180 178.527 176.300 0.078 0.000 0.989 346 D CA 1.594 55.641 54.000 0.079 0.000 0.827 346 D CB -0.282 40.549 40.800 0.053 0.000 0.966 346 D HN 0.319 nan 8.370 nan 0.000 0.456 347 L N 1.032 122.281 121.223 0.044 0.000 2.046 347 L HA -0.097 4.242 4.340 -0.000 0.000 0.208 347 L C 2.166 179.068 176.870 0.054 0.000 1.077 347 L CA 1.724 56.582 54.840 0.030 0.000 0.747 347 L CB -0.694 41.357 42.059 -0.013 0.000 0.896 347 L HN -0.030 nan 8.230 nan 0.000 0.432 348 A N -1.349 121.493 122.820 0.036 0.000 1.898 348 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 348 A C 2.261 180.049 177.584 0.340 0.000 1.181 348 A CA 1.830 53.896 52.037 0.048 0.000 0.620 348 A CB -1.060 17.786 19.000 -0.256 0.000 0.819 348 A HN 0.282 nan 8.150 nan 0.000 0.442 349 V N 0.041 120.158 119.914 0.340 0.000 2.407 349 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 349 V C 2.595 178.847 176.094 0.263 0.000 1.055 349 V CA 2.450 64.976 62.300 0.376 0.000 1.049 349 V CB -0.597 31.396 31.823 0.283 0.000 0.662 349 V HN 0.725 nan 8.190 nan 0.000 0.455 350 E N 0.227 120.537 120.200 0.184 0.000 2.046 350 E HA -0.180 4.170 4.350 -0.000 0.000 0.190 350 E C 1.945 178.615 176.600 0.117 0.000 0.982 350 E CA 1.103 57.579 56.400 0.126 0.000 0.800 350 E CB -0.420 29.331 29.700 0.086 0.000 0.756 350 E HN 0.392 nan 8.360 nan 0.000 0.449 351 L N 1.350 122.656 121.223 0.138 0.000 2.042 351 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 351 L C 2.247 179.142 176.870 0.042 0.000 1.076 351 L CA 2.371 57.268 54.840 0.095 0.000 0.749 351 L CB -0.669 41.484 42.059 0.155 0.000 0.893 351 L HN 0.324 nan 8.230 nan 0.000 0.432 352 E N -0.407 119.914 120.200 0.202 0.000 2.051 352 E HA -0.316 4.033 4.350 -0.000 0.000 0.192 352 E C 2.295 178.971 176.600 0.128 0.000 0.991 352 E CA 1.583 58.094 56.400 0.185 0.000 0.799 352 E CB -0.217 29.676 29.700 0.321 0.000 0.748 352 E HN 0.544 nan 8.360 nan 0.000 0.449 353 K N 0.481 120.964 120.400 0.138 0.000 2.020 353 K HA -0.192 4.128 4.320 -0.000 0.000 0.212 353 K C 2.251 178.877 176.600 0.042 0.000 1.050 353 K CA 1.861 58.209 56.287 0.102 0.000 0.929 353 K CB -0.233 32.327 32.500 0.100 0.000 0.714 353 K HN 0.209 nan 8.250 nan 0.000 0.443 354 I N 0.797 121.372 120.570 0.009 0.000 2.179 354 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 354 I C 2.548 178.605 176.117 -0.099 0.000 1.088 354 I CA 1.262 62.548 61.300 -0.022 0.000 1.357 354 I CB -0.387 37.605 38.000 -0.013 0.000 1.051 354 I HN 0.298 nan 8.210 nan 0.000 0.409 355 A N 0.836 123.485 122.820 -0.284 0.000 1.902 355 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 355 A C 2.268 179.659 177.584 -0.321 0.000 1.181 355 A CA 1.253 52.895 52.037 -0.657 0.000 0.623 355 A CB -0.873 17.238 19.000 -1.482 0.000 0.818 355 A HN 0.394 nan 8.150 nan 0.000 0.443 356 L N 0.596 121.747 121.223 -0.119 0.000 2.353 356 L HA -0.131 4.209 4.340 -0.000 0.000 0.220 356 L C 2.036 178.923 176.870 0.028 0.000 1.133 356 L CA 1.432 56.267 54.840 -0.008 0.000 0.798 356 L CB -0.328 41.781 42.059 0.083 0.000 0.922 356 L HN 0.598 nan 8.230 nan 0.000 0.445 357 S N -3.303 112.421 115.700 0.040 0.000 2.568 357 S HA 0.093 4.563 4.470 -0.000 0.000 0.232 357 S C 0.286 174.937 174.600 0.084 0.000 0.975 357 S CA -0.630 57.606 58.200 0.061 0.000 0.949 357 S CB -0.002 63.232 63.200 0.056 0.000 0.829 357 S HN 0.206 nan 8.310 nan 0.000 0.479 358 D N 1.596 122.078 120.400 0.137 0.000 2.233 358 D HA 0.215 4.855 4.640 -0.000 0.000 0.240 358 D C 0.242 176.679 176.300 0.228 0.000 1.074 358 D CA -0.181 53.942 54.000 0.206 0.000 0.838 358 D CB 1.816 42.809 40.800 0.322 0.000 1.124 358 D HN -0.009 nan 8.370 nan 0.000 0.475 359 D N 2.579 123.060 120.400 0.136 0.000 2.203 359 D HA -0.281 4.359 4.640 -0.000 0.000 0.199 359 D C 1.575 177.903 176.300 0.047 0.000 0.997 359 D CA 1.252 55.300 54.000 0.080 0.000 0.863 359 D CB -0.140 40.689 40.800 0.048 0.000 0.928 359 D HN 0.573 nan 8.370 nan 0.000 0.458 360 Y N -0.279 119.972 120.300 -0.081 0.000 2.114 360 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 360 Y C 1.677 177.363 175.900 -0.357 0.000 1.165 360 Y CA 1.855 59.788 58.100 -0.278 0.000 1.148 360 Y CB -0.512 37.664 38.460 -0.474 0.000 0.972 360 Y HN -0.000 nan 8.280 nan 0.000 0.504 361 F N -1.449 118.547 119.950 0.075 0.000 2.234 361 F HA -0.101 4.426 4.527 -0.000 0.000 0.296 361 F C 2.343 178.058 175.800 -0.141 0.000 1.089 361 F CA 1.079 59.062 58.000 -0.028 0.000 1.343 361 F CB -0.998 38.029 39.000 0.045 0.000 1.040 361 F HN -0.146 nan 8.300 nan 0.000 0.498 362 V N -0.110 119.837 119.914 0.055 0.000 2.295 362 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 362 V C 2.436 178.500 176.094 -0.050 0.000 1.049 362 V CA 2.100 64.382 62.300 -0.029 0.000 1.024 362 V CB -0.671 31.158 31.823 0.010 0.000 0.648 362 V HN 0.264 nan 8.190 nan 0.000 0.447 363 Q N 0.176 119.929 119.800 -0.079 0.000 2.084 363 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 363 Q C 2.174 178.100 176.000 -0.124 0.000 0.978 363 Q CA 1.685 57.428 55.803 -0.100 0.000 0.844 363 Q CB -0.164 28.492 28.738 -0.137 0.000 0.898 363 Q HN 0.533 nan 8.270 nan 0.000 0.426 364 R N -0.046 120.334 120.500 -0.200 0.000 2.320 364 R HA 0.133 4.473 4.340 -0.000 0.000 0.211 364 R C -0.307 175.966 176.300 -0.045 0.000 0.931 364 R CA 0.100 56.094 56.100 -0.177 0.000 1.071 364 R CB 0.227 30.314 30.300 -0.355 0.000 1.025 364 R HN 0.087 nan 8.270 nan 0.000 0.495 365 K N 1.118 121.513 120.400 -0.008 0.000 3.278 365 K HA -0.182 4.138 4.320 -0.000 0.000 0.270 365 K C -0.918 175.790 176.600 0.180 0.000 0.955 365 K CA 0.506 56.863 56.287 0.118 0.000 0.723 365 K CB -1.412 31.191 32.500 0.172 0.000 1.382 365 K HN 0.273 nan 8.250 nan 0.000 0.461 366 L N 1.482 122.733 121.223 0.046 0.000 2.272 366 L HA 0.475 4.815 4.340 -0.000 0.000 0.289 366 L C -0.022 176.816 176.870 -0.053 0.000 1.032 366 L CA -0.773 54.183 54.840 0.194 0.000 0.810 366 L CB 0.435 42.745 42.059 0.419 0.000 1.205 366 L HN 0.014 nan 8.230 nan 0.000 0.422 367 Y N 2.500 122.664 120.300 -0.227 0.000 2.665 367 Y HA 0.505 5.055 4.550 -0.000 0.000 0.336 367 Y C -2.331 172.821 175.900 -1.247 0.000 1.085 367 Y CA -2.787 54.870 58.100 -0.739 0.000 1.096 367 Y CB 1.187 39.268 38.460 -0.632 0.000 1.301 367 Y HN 0.390 nan 8.280 nan 0.000 0.493 368 P HA 0.093 nan 4.420 nan 0.000 0.269 368 P C -1.137 175.966 177.300 -0.329 0.000 1.209 368 P CA 0.006 62.513 63.100 -0.989 0.000 0.776 368 P CB 0.453 31.779 31.700 -0.623 0.000 0.876 369 N N 0.507 119.142 118.700 -0.109 0.000 2.592 369 N HA 0.181 4.921 4.740 -0.000 0.000 0.292 369 N C 0.763 176.319 175.510 0.078 0.000 1.260 369 N CA -0.925 52.148 53.050 0.038 0.000 0.910 369 N CB -0.314 38.310 38.487 0.229 0.000 1.257 369 N HN 0.042 nan 8.380 nan 0.000 0.569 370 V N -0.249 119.693 119.914 0.046 0.000 2.439 370 V HA -0.249 3.871 4.120 -0.000 0.000 0.253 370 V C 0.592 176.728 176.094 0.069 0.000 1.074 370 V CA 2.229 64.516 62.300 -0.023 0.000 1.076 370 V CB -0.736 30.978 31.823 -0.181 0.000 0.664 370 V HN 0.635 nan 8.190 nan 0.000 0.461 371 D N -1.326 119.179 120.400 0.175 0.000 2.347 371 D HA -0.071 4.569 4.640 -0.000 0.000 0.213 371 D C 1.715 178.120 176.300 0.174 0.000 0.985 371 D CA 0.617 54.741 54.000 0.206 0.000 0.879 371 D CB 0.010 40.984 40.800 0.290 0.000 0.919 371 D HN 0.568 nan 8.370 nan 0.000 0.526 372 F N 0.345 120.288 119.950 -0.010 0.000 2.146 372 F HA -0.181 4.346 4.527 0.000 0.000 0.298 372 F C 1.439 177.045 175.800 -0.323 0.000 1.096 372 F CA 1.370 59.272 58.000 -0.164 0.000 1.275 372 F CB -0.059 38.780 39.000 -0.269 0.000 1.008 372 F HN -0.077 nan 8.300 nan 0.000 0.480 373 Y N -1.141 119.205 120.300 0.076 0.000 2.444 373 Y HA 0.066 4.616 4.550 -0.000 0.000 0.249 373 Y C 2.470 178.303 175.900 -0.111 0.000 1.134 373 Y CA 0.314 58.378 58.100 -0.059 0.000 1.261 373 Y CB -0.270 38.189 38.460 -0.001 0.000 1.143 373 Y HN 0.037 nan 8.280 nan 0.000 0.523 374 S N -0.477 115.237 115.700 0.023 0.000 2.356 374 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 374 S C 2.338 176.754 174.600 -0.305 0.000 1.032 374 S CA 1.263 59.417 58.200 -0.076 0.000 1.005 374 S CB -1.153 62.046 63.200 -0.000 0.000 0.867 374 S HN 0.442 nan 8.310 nan 0.000 0.449 375 G N 1.857 110.408 108.800 -0.414 0.000 2.442 375 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.219 375 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.219 375 G C 1.404 176.015 174.900 -0.481 0.000 1.141 375 G CA 1.001 45.577 45.100 -0.874 0.000 0.763 375 G HN 0.563 nan 8.290 nan 0.000 0.554 376 I N 0.478 120.924 120.570 -0.206 0.000 2.208 376 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 376 I C 2.651 178.702 176.117 -0.109 0.000 1.097 376 I CA 0.907 62.148 61.300 -0.099 0.000 1.363 376 I CB -0.151 37.823 38.000 -0.044 0.000 1.051 376 I HN 0.166 nan 8.210 nan 0.000 0.413 377 I N 0.194 120.683 120.570 -0.135 0.000 2.202 377 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 377 I C 2.384 178.425 176.117 -0.126 0.000 1.091 377 I CA 1.384 62.615 61.300 -0.115 0.000 1.368 377 I CB -0.324 37.615 38.000 -0.101 0.000 1.058 377 I HN 0.179 nan 8.210 nan 0.000 0.410 378 L N 0.632 121.717 121.223 -0.230 0.000 2.083 378 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 378 L C 2.630 179.490 176.870 -0.016 0.000 1.083 378 L CA 1.420 56.145 54.840 -0.191 0.000 0.752 378 L CB -0.638 41.147 42.059 -0.457 0.000 0.899 378 L HN 0.252 nan 8.230 nan 0.000 0.433 379 K N 0.652 121.057 120.400 0.008 0.000 2.057 379 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 379 K C 2.108 178.729 176.600 0.035 0.000 1.049 379 K CA 1.362 57.730 56.287 0.136 0.000 0.931 379 K CB -0.094 32.502 32.500 0.161 0.000 0.714 379 K HN 0.261 nan 8.250 nan 0.000 0.440 380 A N 0.666 123.479 122.820 -0.011 0.000 2.070 380 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 380 A C 1.828 179.384 177.584 -0.047 0.000 1.159 380 A CA 1.261 53.279 52.037 -0.032 0.000 0.656 380 A CB -0.354 18.622 19.000 -0.041 0.000 0.800 380 A HN 0.373 nan 8.150 nan 0.000 0.453 381 M N -1.440 118.137 119.600 -0.038 0.000 2.561 381 M HA 0.189 4.669 4.480 -0.000 0.000 0.238 381 M C 1.317 177.548 176.300 -0.114 0.000 1.131 381 M CA 0.776 56.050 55.300 -0.044 0.000 1.046 381 M CB 0.338 32.942 32.600 0.007 0.000 1.532 381 M HN 0.583 nan 8.290 nan 0.000 0.497 382 G N 1.542 110.279 108.800 -0.104 0.000 2.157 382 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 382 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 382 G C 0.043 174.955 174.900 0.020 0.000 0.979 382 G CA -0.369 44.613 45.100 -0.197 0.000 0.650 382 G HN 0.439 nan 8.290 nan 0.000 0.529 383 I N 3.429 124.098 120.570 0.164 0.000 2.416 383 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 383 I C -1.127 175.095 176.117 0.175 0.000 1.051 383 I CA -2.170 59.240 61.300 0.183 0.000 1.375 383 I CB 1.173 39.265 38.000 0.152 0.000 1.407 383 I HN -0.036 nan 8.210 nan 0.000 0.516 384 P HA 0.086 nan 4.420 nan 0.000 0.274 384 P C 0.450 177.505 177.300 -0.407 0.000 1.237 384 P CA -0.272 62.782 63.100 -0.077 0.000 0.793 384 P CB 0.841 32.537 31.700 -0.008 0.000 0.977 385 T N 0.791 114.933 114.554 -0.687 0.000 2.737 385 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 385 T C 1.826 176.056 174.700 -0.784 0.000 1.040 385 T CA 2.459 63.764 62.100 -1.325 0.000 1.142 385 T CB -0.866 67.612 68.868 -0.650 0.000 0.861 385 T HN 0.671 nan 8.240 nan 0.000 0.456 386 S N 0.542 116.002 115.700 -0.401 0.000 2.500 386 S HA 0.024 4.494 4.470 -0.000 0.000 0.239 386 S C 1.649 176.107 174.600 -0.238 0.000 0.989 386 S CA 0.644 58.651 58.200 -0.322 0.000 0.951 386 S CB -0.285 62.756 63.200 -0.264 0.000 0.759 386 S HN 0.257 nan 8.310 nan 0.000 0.523 387 M N -0.207 119.291 119.600 -0.170 0.000 2.313 387 M HA 0.365 4.845 4.480 -0.000 0.000 0.273 387 M C 0.443 176.845 176.300 0.170 0.000 1.049 387 M CA -0.131 55.155 55.300 -0.022 0.000 1.004 387 M CB -0.633 31.906 32.600 -0.101 0.000 1.461 387 M HN 0.214 nan 8.290 nan 0.000 0.514 388 F N 1.398 121.363 119.950 0.025 0.000 2.095 388 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 388 F C 2.458 178.314 175.800 0.094 0.000 1.104 388 F CA 1.457 59.484 58.000 0.045 0.000 1.232 388 F CB -1.844 37.200 39.000 0.073 0.000 0.987 388 F HN 0.161 nan 8.300 nan 0.000 0.475 389 T N -0.330 114.433 114.554 0.347 0.000 2.951 389 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 389 T C 2.329 177.133 174.700 0.174 0.000 1.073 389 T CA 0.863 63.126 62.100 0.273 0.000 1.134 389 T CB -0.527 68.488 68.868 0.245 0.000 0.884 389 T HN 0.039 nan 8.240 nan 0.000 0.479 390 V N 1.662 121.656 119.914 0.134 0.000 2.427 390 V HA -0.076 4.044 4.120 -0.000 0.000 0.248 390 V C 2.373 178.536 176.094 0.115 0.000 1.051 390 V CA 1.013 63.364 62.300 0.086 0.000 1.048 390 V CB -0.569 31.293 31.823 0.065 0.000 0.666 390 V HN 0.327 nan 8.190 nan 0.000 0.456 391 L N -0.560 120.751 121.223 0.146 0.000 2.083 391 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 391 L C 2.154 179.042 176.870 0.031 0.000 1.083 391 L CA 1.939 56.857 54.840 0.130 0.000 0.752 391 L CB -1.215 40.901 42.059 0.094 0.000 0.899 391 L HN 0.336 nan 8.230 nan 0.000 0.433 392 F N 0.698 120.548 119.950 -0.166 0.000 2.095 392 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 392 F C 2.398 178.085 175.800 -0.187 0.000 1.104 392 F CA 1.365 59.224 58.000 -0.234 0.000 1.232 392 F CB -0.972 37.960 39.000 -0.113 0.000 0.987 392 F HN 0.173 nan 8.300 nan 0.000 0.475 393 A N -0.466 122.416 122.820 0.104 0.000 1.933 393 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 393 A C 2.413 179.942 177.584 -0.091 0.000 1.175 393 A CA 1.814 53.825 52.037 -0.044 0.000 0.628 393 A CB -1.310 17.753 19.000 0.107 0.000 0.814 393 A HN 0.246 nan 8.150 nan 0.000 0.444 394 V N -0.277 119.605 119.914 -0.054 0.000 2.295 394 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 394 V C 3.045 179.114 176.094 -0.042 0.000 1.049 394 V CA 1.997 64.227 62.300 -0.118 0.000 1.024 394 V CB -1.131 30.493 31.823 -0.332 0.000 0.648 394 V HN 0.620 nan 8.190 nan 0.000 0.447 395 A N 0.161 122.962 122.820 -0.032 0.000 1.873 395 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 395 A C 2.280 179.879 177.584 0.025 0.000 1.186 395 A CA 1.869 53.931 52.037 0.042 0.000 0.616 395 A CB -0.506 18.459 19.000 -0.058 0.000 0.823 395 A HN 0.421 nan 8.150 nan 0.000 0.442 396 R N -0.005 120.401 120.500 -0.156 0.000 2.237 396 R HA -0.021 4.319 4.340 -0.000 0.000 0.219 396 R C 1.773 177.595 176.300 -0.796 0.000 1.080 396 R CA 1.789 57.589 56.100 -0.500 0.000 0.995 396 R CB -1.430 28.421 30.300 -0.749 0.000 0.875 396 R HN 0.452 nan 8.270 nan 0.000 0.462 397 T N -0.434 113.837 114.554 -0.471 0.000 2.803 397 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 397 T C 1.446 176.145 174.700 -0.002 0.000 1.052 397 T CA 1.941 64.001 62.100 -0.066 0.000 1.136 397 T CB -0.254 68.652 68.868 0.064 0.000 0.864 397 T HN 0.348 nan 8.240 nan 0.000 0.467 398 T N 0.923 115.451 114.554 -0.043 0.000 2.708 398 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 398 T C 2.237 176.930 174.700 -0.010 0.000 1.037 398 T CA 1.392 63.472 62.100 -0.032 0.000 1.146 398 T CB -0.776 68.049 68.868 -0.071 0.000 0.865 398 T HN 0.519 nan 8.240 nan 0.000 0.435 399 G N 0.231 109.001 108.800 -0.050 0.000 2.402 399 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 399 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 399 G C 1.357 176.346 174.900 0.150 0.000 1.162 399 G CA 0.419 45.523 45.100 0.006 0.000 0.777 399 G HN 0.415 nan 8.290 nan 0.000 0.539 400 W N 0.586 121.934 121.300 0.080 0.000 2.335 400 W HA -0.029 4.631 4.660 -0.000 0.000 0.311 400 W C 2.605 179.176 176.519 0.088 0.000 1.213 400 W CA 0.538 57.926 57.345 0.073 0.000 1.274 400 W CB -1.296 28.182 29.460 0.031 0.000 1.148 400 W HN 0.062 nan 8.180 nan 0.000 0.498 401 V N 0.387 120.476 119.914 0.293 0.000 2.343 401 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 401 V C 2.346 178.594 176.094 0.256 0.000 1.051 401 V CA 2.233 64.660 62.300 0.212 0.000 1.036 401 V CB -1.055 30.811 31.823 0.070 0.000 0.654 401 V HN 0.066 nan 8.190 nan 0.000 0.451 402 S N -0.817 114.980 115.700 0.160 0.000 2.368 402 S HA -0.210 4.260 4.470 -0.000 0.000 0.225 402 S C 1.963 176.630 174.600 0.112 0.000 1.030 402 S CA 1.160 59.421 58.200 0.102 0.000 0.999 402 S CB -0.264 62.962 63.200 0.043 0.000 0.844 402 S HN 0.579 nan 8.310 nan 0.000 0.459 403 Q N -0.407 119.490 119.800 0.163 0.000 2.079 403 Q HA -0.099 4.240 4.340 -0.000 0.000 0.200 403 Q C 1.904 177.988 176.000 0.140 0.000 0.974 403 Q CA 1.051 56.940 55.803 0.142 0.000 0.840 403 Q CB -0.375 28.477 28.738 0.189 0.000 0.898 403 Q HN 0.780 nan 8.270 nan 0.000 0.430 404 W N 2.440 123.760 121.300 0.033 0.000 2.355 404 W HA -0.182 4.478 4.660 -0.000 0.000 0.309 404 W C 2.239 178.750 176.519 -0.013 0.000 1.206 404 W CA 1.754 59.099 57.345 0.001 0.000 1.284 404 W CB -0.120 29.332 29.460 -0.013 0.000 1.145 404 W HN 0.018 nan 8.180 nan 0.000 0.502 405 K N 0.595 120.945 120.400 -0.083 0.000 2.032 405 K HA -0.298 4.022 4.320 -0.000 0.000 0.209 405 K C 2.148 178.552 176.600 -0.326 0.000 1.048 405 K CA 2.074 58.137 56.287 -0.374 0.000 0.927 405 K CB -0.630 31.842 32.500 -0.045 0.000 0.712 405 K HN 0.347 nan 8.250 nan 0.000 0.441 406 E N 0.284 120.387 120.200 -0.161 0.000 2.085 406 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 406 E C 2.129 178.628 176.600 -0.168 0.000 0.994 406 E CA 1.253 57.575 56.400 -0.129 0.000 0.801 406 E CB -0.083 29.581 29.700 -0.059 0.000 0.743 406 E HN 0.301 nan 8.360 nan 0.000 0.453 407 M N 0.800 120.288 119.600 -0.186 0.000 2.067 407 M HA -0.167 4.313 4.480 -0.000 0.000 0.260 407 M C 2.234 178.382 176.300 -0.254 0.000 1.069 407 M CA 1.384 56.574 55.300 -0.183 0.000 1.117 407 M CB -0.495 32.020 32.600 -0.141 0.000 1.334 407 M HN 0.290 nan 8.290 nan 0.000 0.407 408 I N 0.991 121.291 120.570 -0.450 0.000 2.614 408 I HA -0.174 3.996 4.170 -0.000 0.000 0.258 408 I C 1.623 177.552 176.117 -0.312 0.000 1.189 408 I CA 1.425 62.458 61.300 -0.445 0.000 1.462 408 I CB -0.304 37.220 38.000 -0.794 0.000 1.092 408 I HN 0.390 nan 8.210 nan 0.000 0.442 409 E N -0.114 119.910 120.200 -0.293 0.000 2.479 409 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 409 E C 0.526 177.047 176.600 -0.132 0.000 1.049 409 E CA -0.115 56.170 56.400 -0.193 0.000 0.870 409 E CB 0.129 29.719 29.700 -0.183 0.000 0.944 409 E HN 0.466 nan 8.360 nan 0.000 0.492 410 E N 2.320 122.443 120.200 -0.128 0.000 2.338 410 E HA 0.106 4.456 4.350 -0.000 0.000 0.272 410 E C -2.378 174.179 176.600 -0.071 0.000 1.029 410 E CA -2.363 53.983 56.400 -0.089 0.000 0.872 410 E CB 0.725 30.376 29.700 -0.082 0.000 1.015 410 E HN -0.178 nan 8.360 nan 0.000 0.417 411 P HA 0.098 nan 4.420 nan 0.000 0.268 411 P C 0.128 177.405 177.300 -0.040 0.000 1.205 411 P CA 0.673 63.747 63.100 -0.043 0.000 0.771 411 P CB 0.791 32.470 31.700 -0.035 0.000 0.858 412 G N 0.718 109.497 108.800 -0.035 0.000 2.159 412 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.256 412 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.256 412 G C 0.293 175.172 174.900 -0.035 0.000 0.977 412 G CA -0.289 44.793 45.100 -0.030 0.000 0.652 412 G HN 0.688 nan 8.290 nan 0.000 0.531 413 Q N 0.651 120.423 119.800 -0.046 0.000 2.330 413 Q HA 0.392 4.732 4.340 -0.000 0.000 0.279 413 Q C 0.505 176.481 176.000 -0.039 0.000 1.024 413 Q CA 0.603 56.375 55.803 -0.052 0.000 0.900 413 Q CB 0.288 28.982 28.738 -0.074 0.000 1.221 413 Q HN 0.659 nan 8.270 nan 0.000 0.396 414 R N 2.795 123.274 120.500 -0.036 0.000 2.888 414 R HA 0.504 4.844 4.340 -0.000 0.000 0.264 414 R C -0.248 176.037 176.300 -0.026 0.000 1.045 414 R CA -0.969 55.116 56.100 -0.026 0.000 0.962 414 R CB 1.430 31.717 30.300 -0.021 0.000 1.210 414 R HN 0.716 nan 8.270 nan 0.000 0.479 415 I N 0.678 121.237 120.570 -0.018 0.000 2.836 415 I HA 0.011 4.181 4.170 -0.000 0.000 0.285 415 I C -0.371 175.732 176.117 -0.024 0.000 1.174 415 I CA 0.584 61.874 61.300 -0.016 0.000 1.405 415 I CB 0.955 38.949 38.000 -0.009 0.000 1.385 415 I HN 0.482 nan 8.210 nan 0.000 0.594 416 S N 7.052 122.735 115.700 -0.028 0.000 2.452 416 S HA 0.462 4.932 4.470 -0.000 0.000 0.284 416 S C -0.309 174.272 174.600 -0.032 0.000 1.171 416 S CA -0.560 57.615 58.200 -0.042 0.000 1.064 416 S CB 0.427 63.592 63.200 -0.059 0.000 0.967 416 S HN 0.439 nan 8.310 nan 0.000 0.484 417 R N 3.909 124.389 120.500 -0.033 0.000 2.912 417 R HA 0.288 4.628 4.340 -0.000 0.000 0.278 417 R C -2.857 173.418 176.300 -0.041 0.000 1.533 417 R CA -1.243 54.840 56.100 -0.028 0.000 1.061 417 R CB 0.635 30.919 30.300 -0.026 0.000 1.313 417 R HN 0.500 nan 8.270 nan 0.000 0.443 418 P HA 0.480 nan 4.420 nan 0.000 0.279 418 P C -0.225 177.006 177.300 -0.114 0.000 1.282 418 P CA -0.598 62.479 63.100 -0.037 0.000 0.788 418 P CB 1.067 32.814 31.700 0.077 0.000 1.139 419 R N -0.888 119.490 120.500 -0.204 0.000 3.067 419 R HA 0.546 4.886 4.340 -0.000 0.000 0.222 419 R C 0.214 176.439 176.300 -0.125 0.000 1.551 419 R CA -0.490 55.432 56.100 -0.297 0.000 1.034 419 R CB 0.194 29.975 30.300 -0.866 0.000 1.889 419 R HN 0.805 nan 8.270 nan 0.000 0.526 420 Q N -0.557 119.221 119.800 -0.037 0.000 2.737 420 Q HA 0.533 4.873 4.340 -0.000 0.000 0.307 420 Q C -1.632 174.499 176.000 0.217 0.000 0.905 420 Q CA -0.966 54.896 55.803 0.099 0.000 0.753 420 Q CB 1.121 29.918 28.738 0.099 0.000 1.463 420 Q HN 0.222 nan 8.270 nan 0.000 0.455 421 L N 1.674 123.046 121.223 0.249 0.000 2.319 421 L HA 0.466 4.806 4.340 -0.000 0.000 0.281 421 L C -1.743 175.245 176.870 0.197 0.000 1.005 421 L CA -0.553 54.420 54.840 0.221 0.000 0.828 421 L CB 1.269 43.410 42.059 0.137 0.000 1.227 421 L HN 0.685 nan 8.230 nan 0.000 0.415 422 Y N 6.359 126.705 120.300 0.076 0.000 2.436 422 Y HA 0.393 4.943 4.550 -0.000 0.000 0.343 422 Y C 0.858 176.776 175.900 0.029 0.000 1.008 422 Y CA -0.449 57.681 58.100 0.051 0.000 1.241 422 Y CB 0.736 39.226 38.460 0.050 0.000 1.153 422 Y HN 0.653 nan 8.280 nan 0.000 0.521 423 I N 3.252 123.550 120.570 -0.454 0.000 3.856 423 I HA 0.568 4.738 4.170 -0.000 0.000 0.330 423 I C 0.783 176.564 176.117 -0.560 0.000 1.546 423 I CA -0.364 60.696 61.300 -0.401 0.000 1.132 423 I CB -0.010 37.876 38.000 -0.191 0.000 1.157 423 I HN 0.647 nan 8.210 nan 0.000 0.440 424 G N 1.236 109.333 108.800 -1.171 0.000 2.509 424 G HA2 0.653 4.613 3.960 -0.000 0.000 0.269 424 G HA3 0.653 4.613 3.960 -0.000 0.000 0.269 424 G C -0.051 174.624 174.900 -0.375 0.000 1.416 424 G CA -0.269 44.401 45.100 -0.718 0.000 1.052 424 G HN 0.430 nan 8.290 nan 0.000 0.542 425 A N 0.245 123.038 122.820 -0.045 0.000 2.511 425 A HA 0.510 4.830 4.320 -0.000 0.000 0.242 425 A C -1.753 175.936 177.584 0.175 0.000 1.069 425 A CA -0.491 51.585 52.037 0.066 0.000 0.763 425 A CB -0.479 18.571 19.000 0.083 0.000 1.001 425 A HN 0.427 nan 8.150 nan 0.000 0.498 426 P HA 0.114 nan 4.420 nan 0.000 0.271 426 P C -0.073 177.293 177.300 0.110 0.000 1.244 426 P CA -0.420 62.753 63.100 0.122 0.000 0.793 426 P CB 0.333 32.072 31.700 0.065 0.000 0.984 427 Q N 1.283 121.135 119.800 0.087 0.000 2.349 427 Q HA 0.057 4.397 4.340 -0.000 0.000 0.287 427 Q C -0.139 175.892 176.000 0.052 0.000 1.044 427 Q CA 0.387 56.226 55.803 0.061 0.000 0.918 427 Q CB 0.295 29.056 28.738 0.039 0.000 1.242 427 Q HN 0.362 nan 8.270 nan 0.000 0.405 428 R N 1.818 122.349 120.500 0.052 0.000 2.707 428 R HA 0.457 4.797 4.340 -0.000 0.000 0.272 428 R C -1.456 174.877 176.300 0.054 0.000 1.011 428 R CA -1.035 55.092 56.100 0.045 0.000 0.893 428 R CB 1.038 31.361 30.300 0.039 0.000 1.233 428 R HN 0.400 nan 8.270 nan 0.000 0.464 429 D N 1.400 121.830 120.400 0.051 0.000 2.313 429 D HA 0.047 4.687 4.640 -0.000 0.000 0.247 429 D C -0.504 175.856 176.300 0.099 0.000 1.094 429 D CA -0.083 53.963 54.000 0.077 0.000 0.925 429 D CB 0.698 41.537 40.800 0.064 0.000 1.188 429 D HN 0.395 nan 8.370 nan 0.000 0.430 430 Y N 1.077 121.382 120.300 0.008 0.000 2.702 430 Y HA 0.095 4.645 4.550 -0.000 0.000 0.336 430 Y C -0.507 175.397 175.900 0.007 0.000 1.235 430 Y CA 0.256 58.361 58.100 0.008 0.000 1.492 430 Y CB 0.441 38.904 38.460 0.006 0.000 1.308 430 Y HN 0.001 nan 8.280 nan 0.000 0.589 431 V N 8.624 128.128 119.914 -0.683 0.000 2.448 431 V HA 0.335 4.455 4.120 -0.000 0.000 0.295 431 V C -2.164 173.469 176.094 -0.767 0.000 1.025 431 V CA -2.150 59.848 62.300 -0.503 0.000 0.859 431 V CB 1.401 33.053 31.823 -0.286 0.000 0.988 431 V HN 0.728 nan 8.190 nan 0.000 0.431 432 P HA 0.081 nan 4.420 nan 0.000 0.269 432 P C 0.811 178.015 177.300 -0.161 0.000 1.209 432 P CA -0.280 62.711 63.100 -0.182 0.000 0.776 432 P CB 0.683 32.374 31.700 -0.015 0.000 0.876 433 L N 4.178 125.356 121.223 -0.076 0.000 2.034 433 L HA -0.289 4.051 4.340 -0.000 0.000 0.217 433 L C 2.044 178.888 176.870 -0.043 0.000 1.077 433 L CA 2.626 57.437 54.840 -0.049 0.000 0.769 433 L CB -1.622 40.439 42.059 0.003 0.000 0.890 433 L HN 0.457 nan 8.230 nan 0.000 0.435 434 A N -1.440 121.364 122.820 -0.027 0.000 2.070 434 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 434 A C 2.119 179.685 177.584 -0.030 0.000 1.159 434 A CA 1.603 53.627 52.037 -0.022 0.000 0.656 434 A CB -0.500 18.494 19.000 -0.010 0.000 0.800 434 A HN 0.572 nan 8.150 nan 0.000 0.453 435 K N -0.461 119.910 120.400 -0.047 0.000 2.417 435 K HA 0.116 4.436 4.320 -0.000 0.000 0.196 435 K C 0.439 177.005 176.600 -0.056 0.000 1.023 435 K CA -0.138 56.120 56.287 -0.049 0.000 1.122 435 K CB 0.310 32.778 32.500 -0.054 0.000 0.850 435 K HN 0.438 nan 8.250 nan 0.000 0.521 436 R N 0.000 120.463 120.500 -0.061 0.000 2.786 436 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 436 R CA 0.000 56.065 56.100 -0.058 0.000 0.921 436 R CB 0.000 30.259 30.300 -0.067 0.000 0.687 436 R HN 0.000 nan 8.270 nan 0.000 0.535