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 3d6k_1_B DATA FIRST_RESID 11 DATA SEQUENCE LAQVREEVTA KYAELKAKNL SLDLTRGKPS AEQLDLSNDL LSLPGGDFRT DATA SEQUENCE KDGVDCRNYG GLLGIADIRE LWAEALGLPA DLVVAQDGSS LNIXFDLISW DATA SEQUENCE SYTWGNNDSS RPWSAEEKVK WLCPVPGYDR HFTITEHFGF EXINVPXTDE DATA SEQUENCE GPDXGVVREL VKDPQVKGXW TVPVFGNPTG VTFSEQTCRE LAEXSTAAPD DATA SEQUENCE FRIVWDNAYA LHTLSDEFPI VHNVIEFAQA AGNPNRFWFX SSTSKITHAG DATA SEQUENCE SGVSFFASSK ENIEWYASHA NVRGIGPNKL NQLAHAQFFG DVAGLKAHXL DATA SEQUENCE KHAASLAPKF ERVLEILDSR LSEYGVAKWT SPTGGYFISV DVVPGTASRV DATA SEQUENCE VELAKEAGIA LTGAGSSFPL HNDPNNENIR LAPSLPPVAE LEVAXDGFAT DATA SEQUENCE CVLXAALEV 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 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.936 176.870 0.111 0.000 1.165 11 L CA 0.000 54.917 54.840 0.128 0.000 0.813 11 L CB 0.000 42.077 42.059 0.031 0.000 0.961 12 A N -1.045 121.815 122.820 0.066 0.000 2.108 12 A HA 0.121 4.441 4.320 -0.000 0.000 0.206 12 A C 1.522 179.131 177.584 0.041 0.000 1.212 12 A CA 0.171 52.237 52.037 0.047 0.000 0.843 12 A CB 0.087 19.105 19.000 0.030 0.000 0.902 12 A HN 0.372 nan 8.150 nan 0.000 0.477 13 Q N 0.401 120.228 119.800 0.046 0.000 2.449 13 Q HA -0.107 4.233 4.340 -0.000 0.000 0.214 13 Q C 1.669 177.695 176.000 0.042 0.000 0.986 13 Q CA 1.382 57.209 55.803 0.040 0.000 0.893 13 Q CB -0.649 28.114 28.738 0.042 0.000 0.940 13 Q HN 0.527 nan 8.270 nan 0.000 0.477 14 V N -0.025 119.922 119.914 0.054 0.000 3.573 14 V HA -0.071 4.049 4.120 -0.000 0.000 0.270 14 V C 2.085 178.188 176.094 0.014 0.000 1.221 14 V CA 0.560 62.884 62.300 0.040 0.000 1.163 14 V CB -0.592 31.262 31.823 0.051 0.000 0.847 14 V HN 0.238 nan 8.190 nan 0.000 0.468 15 R N 0.642 121.151 120.500 0.015 0.000 2.081 15 R HA -0.209 4.131 4.340 -0.000 0.000 0.235 15 R C 2.367 178.669 176.300 0.003 0.000 1.131 15 R CA 1.869 57.971 56.100 0.003 0.000 0.960 15 R CB -0.133 30.169 30.300 0.004 0.000 0.856 15 R HN 0.499 nan 8.270 nan 0.000 0.436 16 E N 1.068 121.273 120.200 0.009 0.000 2.072 16 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 16 E C 1.543 178.150 176.600 0.012 0.000 0.985 16 E CA 1.686 58.093 56.400 0.011 0.000 0.801 16 E CB 0.136 29.843 29.700 0.012 0.000 0.750 16 E HN 0.489 nan 8.360 nan 0.000 0.452 17 E N -0.246 119.960 120.200 0.010 0.000 2.371 17 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 17 E C 2.054 178.660 176.600 0.009 0.000 1.012 17 E CA 1.026 57.431 56.400 0.009 0.000 0.860 17 E CB 0.016 29.719 29.700 0.006 0.000 0.811 17 E HN 0.321 nan 8.360 nan 0.000 0.502 18 V N 0.054 119.971 119.914 0.004 0.000 2.535 18 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 18 V C 2.335 178.454 176.094 0.042 0.000 1.045 18 V CA 1.534 63.838 62.300 0.006 0.000 1.058 18 V CB -0.770 31.037 31.823 -0.027 0.000 0.689 18 V HN 0.265 nan 8.190 nan 0.000 0.461 19 T N 0.577 115.151 114.554 0.034 0.000 2.746 19 T HA -0.019 4.331 4.350 -0.000 0.000 0.267 19 T C 2.147 176.909 174.700 0.105 0.000 1.039 19 T CA 1.733 63.874 62.100 0.068 0.000 1.142 19 T CB -0.830 68.058 68.868 0.033 0.000 0.866 19 T HN 0.798 nan 8.240 nan 0.000 0.444 20 A N 1.811 124.665 122.820 0.058 0.000 1.933 20 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 20 A C 2.354 179.960 177.584 0.037 0.000 1.175 20 A CA 1.808 53.870 52.037 0.041 0.000 0.628 20 A CB -0.657 18.358 19.000 0.024 0.000 0.814 20 A HN 0.517 nan 8.150 nan 0.000 0.444 21 K N -1.803 118.625 120.400 0.046 0.000 2.057 21 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 21 K C 1.903 178.536 176.600 0.056 0.000 1.049 21 K CA 1.765 58.075 56.287 0.038 0.000 0.931 21 K CB -0.365 32.155 32.500 0.033 0.000 0.714 21 K HN 0.544 nan 8.250 nan 0.000 0.440 22 Y N 0.575 120.860 120.300 -0.026 0.000 2.242 22 Y HA -0.119 4.431 4.550 -0.000 0.000 0.291 22 Y C 1.910 177.799 175.900 -0.019 0.000 1.137 22 Y CA 1.299 59.384 58.100 -0.026 0.000 1.181 22 Y CB -0.366 38.076 38.460 -0.030 0.000 0.989 22 Y HN 0.134 nan 8.280 nan 0.000 0.527 23 A N 0.162 122.986 122.820 0.007 0.000 1.908 23 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 23 A C 2.088 179.607 177.584 -0.109 0.000 1.181 23 A CA 2.043 54.042 52.037 -0.063 0.000 0.627 23 A CB -0.737 18.268 19.000 0.009 0.000 0.818 23 A HN 0.623 nan 8.150 nan 0.000 0.445 24 E N -0.923 119.233 120.200 -0.073 0.000 2.031 24 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 24 E C 1.947 178.484 176.600 -0.104 0.000 0.994 24 E CA 1.183 57.542 56.400 -0.068 0.000 0.800 24 E CB -0.258 29.419 29.700 -0.038 0.000 0.752 24 E HN 0.458 nan 8.360 nan 0.000 0.447 25 L N 1.696 122.837 121.223 -0.137 0.000 2.043 25 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 25 L C 2.128 178.867 176.870 -0.218 0.000 1.075 25 L CA 1.921 56.662 54.840 -0.165 0.000 0.752 25 L CB -0.304 41.648 42.059 -0.178 0.000 0.891 25 L HN -0.050 nan 8.230 nan 0.000 0.432 26 K N -1.129 119.070 120.400 -0.334 0.000 2.001 26 K HA -0.104 4.216 4.320 -0.000 0.000 0.208 26 K C 1.945 178.451 176.600 -0.156 0.000 1.048 26 K CA 1.247 57.355 56.287 -0.299 0.000 0.932 26 K CB -0.301 31.976 32.500 -0.372 0.000 0.715 26 K HN 0.424 nan 8.250 nan 0.000 0.437 27 A N 1.038 123.785 122.820 -0.123 0.000 2.178 27 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 27 A C 1.479 179.026 177.584 -0.061 0.000 1.157 27 A CA 1.257 53.249 52.037 -0.075 0.000 0.689 27 A CB -0.261 18.703 19.000 -0.058 0.000 0.787 27 A HN 0.287 nan 8.150 nan 0.000 0.465 28 K N -0.763 119.595 120.400 -0.070 0.000 2.525 28 K HA 0.008 4.328 4.320 -0.000 0.000 0.192 28 K C -0.073 176.500 176.600 -0.045 0.000 1.029 28 K CA 0.284 56.539 56.287 -0.052 0.000 1.029 28 K CB -0.120 32.348 32.500 -0.053 0.000 0.814 28 K HN 0.484 nan 8.250 nan 0.000 0.503 29 N N 1.284 119.954 118.700 -0.050 0.000 2.707 29 N HA -0.184 4.556 4.740 -0.000 0.000 0.253 29 N C -1.078 174.414 175.510 -0.031 0.000 0.998 29 N CA 0.400 53.427 53.050 -0.038 0.000 0.751 29 N CB -1.143 37.327 38.487 -0.029 0.000 0.920 29 N HN 0.169 nan 8.380 nan 0.000 0.539 30 L N -0.781 120.420 121.223 -0.036 0.000 2.452 30 L HA 0.267 4.607 4.340 -0.000 0.000 0.267 30 L C 1.012 177.872 176.870 -0.016 0.000 1.188 30 L CA 0.112 54.936 54.840 -0.026 0.000 0.821 30 L CB 1.057 43.099 42.059 -0.028 0.000 1.102 30 L HN 0.084 nan 8.230 nan 0.000 0.470 31 S N 2.845 118.539 115.700 -0.011 0.000 2.128 31 S HA 0.521 4.991 4.470 -0.000 0.000 0.157 31 S C -0.524 174.075 174.600 -0.001 0.000 1.650 31 S CA -0.496 57.701 58.200 -0.004 0.000 1.269 31 S CB -0.144 63.053 63.200 -0.004 0.000 1.227 31 S HN 0.336 nan 8.310 nan 0.000 0.405 32 L N 2.552 123.776 121.223 0.001 0.000 2.322 32 L HA 0.767 5.107 4.340 -0.000 0.000 0.269 32 L C -0.801 176.076 176.870 0.011 0.000 1.012 32 L CA -0.809 54.033 54.840 0.002 0.000 0.815 32 L CB 1.673 43.731 42.059 -0.002 0.000 1.295 32 L HN 0.469 nan 8.230 nan 0.000 0.438 33 D N 1.631 122.037 120.400 0.010 0.000 2.706 33 D HA 0.232 4.871 4.640 -0.000 0.000 0.225 33 D C -0.923 175.380 176.300 0.006 0.000 1.241 33 D CA -0.525 53.485 54.000 0.018 0.000 0.784 33 D CB 1.718 42.534 40.800 0.028 0.000 1.521 33 D HN 0.344 nan 8.370 nan 0.000 0.461 34 L N 1.083 122.309 121.223 0.006 0.000 3.096 34 L HA 0.276 4.616 4.340 -0.000 0.000 0.247 34 L C 1.070 177.953 176.870 0.022 0.000 1.321 34 L CA -0.156 54.673 54.840 -0.019 0.000 1.044 34 L CB 0.491 42.506 42.059 -0.073 0.000 1.434 34 L HN 0.420 nan 8.230 nan 0.000 0.533 35 T N -1.233 113.350 114.554 0.048 0.000 3.000 35 T HA 0.158 4.508 4.350 -0.000 0.000 0.248 35 T C 0.919 175.685 174.700 0.110 0.000 1.034 35 T CA 0.192 62.337 62.100 0.075 0.000 1.060 35 T CB 0.211 69.116 68.868 0.061 0.000 0.983 35 T HN 0.275 nan 8.240 nan 0.000 0.482 36 R N 1.712 122.271 120.500 0.099 0.000 2.205 36 R HA 0.459 4.798 4.340 -0.000 0.000 0.342 36 R C 0.774 177.174 176.300 0.167 0.000 1.058 36 R CA -0.323 55.848 56.100 0.117 0.000 0.904 36 R CB 0.725 31.073 30.300 0.079 0.000 1.089 36 R HN 0.113 nan 8.270 nan 0.000 0.471 37 G N 3.850 112.802 108.800 0.254 0.000 3.455 37 G HA2 0.018 3.978 3.960 -0.000 0.000 0.250 37 G HA3 0.018 3.978 3.960 -0.000 0.000 0.250 37 G C -0.164 174.847 174.900 0.185 0.000 1.071 37 G CA -0.242 45.049 45.100 0.318 0.000 1.812 37 G HN 0.406 nan 8.290 nan 0.000 0.643 38 K N 0.421 120.934 120.400 0.189 0.000 2.385 38 K HA 0.402 4.722 4.320 -0.000 0.000 0.248 38 K C -2.915 173.841 176.600 0.261 0.000 0.955 38 K CA -2.174 54.209 56.287 0.160 0.000 0.816 38 K CB 2.467 35.035 32.500 0.114 0.000 1.250 38 K HN -0.139 nan 8.250 nan 0.000 0.434 39 P HA -0.079 nan 4.420 nan 0.000 0.267 39 P C -0.182 177.224 177.300 0.178 0.000 1.200 39 P CA -0.006 63.266 63.100 0.287 0.000 0.772 39 P CB 0.486 32.349 31.700 0.271 0.000 0.855 40 S N 1.798 117.581 115.700 0.138 0.000 2.596 40 S HA 0.250 4.720 4.470 -0.000 0.000 0.260 40 S C 1.501 176.157 174.600 0.093 0.000 1.336 40 S CA 0.099 58.350 58.200 0.086 0.000 0.993 40 S CB 0.203 63.434 63.200 0.052 0.000 0.923 40 S HN 0.488 nan 8.310 nan 0.000 0.567 41 A N 0.467 123.327 122.820 0.066 0.000 1.902 41 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 41 A C 2.144 179.764 177.584 0.060 0.000 1.181 41 A CA 1.695 53.771 52.037 0.065 0.000 0.623 41 A CB -1.330 17.697 19.000 0.044 0.000 0.818 41 A HN 1.042 nan 8.150 nan 0.000 0.443 42 E N -0.142 120.083 120.200 0.042 0.000 2.065 42 E HA -0.334 4.016 4.350 -0.000 0.000 0.201 42 E C 2.145 178.758 176.600 0.022 0.000 1.016 42 E CA 1.988 58.403 56.400 0.025 0.000 0.818 42 E CB -0.248 29.458 29.700 0.010 0.000 0.749 42 E HN 0.768 nan 8.360 nan 0.000 0.453 43 Q N 0.042 119.870 119.800 0.047 0.000 2.050 43 Q HA -0.162 4.177 4.340 -0.000 0.000 0.202 43 Q C 2.534 178.597 176.000 0.105 0.000 0.980 43 Q CA 1.596 57.431 55.803 0.053 0.000 0.840 43 Q CB -0.158 28.724 28.738 0.240 0.000 0.898 43 Q HN 0.393 nan 8.270 nan 0.000 0.424 44 L N 0.819 122.133 121.223 0.150 0.000 2.079 44 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 44 L C 1.702 178.657 176.870 0.141 0.000 1.081 44 L CA 0.902 55.845 54.840 0.173 0.000 0.752 44 L CB -0.411 41.754 42.059 0.178 0.000 0.896 44 L HN 0.193 nan 8.230 nan 0.000 0.433 45 D N -0.166 120.290 120.400 0.094 0.000 2.218 45 D HA -0.134 4.505 4.640 -0.000 0.000 0.204 45 D C 2.126 178.477 176.300 0.084 0.000 0.976 45 D CA 0.838 54.885 54.000 0.079 0.000 0.853 45 D CB -0.085 40.745 40.800 0.051 0.000 0.939 45 D HN 0.108 nan 8.370 nan 0.000 0.481 46 L N 0.282 121.542 121.223 0.061 0.000 2.189 46 L HA -0.131 4.209 4.340 -0.000 0.000 0.214 46 L C 1.857 178.917 176.870 0.317 0.000 1.097 46 L CA 1.460 56.367 54.840 0.111 0.000 0.764 46 L CB -0.471 41.517 42.059 -0.118 0.000 0.900 46 L HN -0.121 nan 8.230 nan 0.000 0.436 47 S N -1.296 114.502 115.700 0.163 0.000 2.568 47 S HA 0.105 4.575 4.470 -0.000 0.000 0.232 47 S C 1.356 175.859 174.600 -0.162 0.000 0.975 47 S CA -0.272 57.846 58.200 -0.138 0.000 0.949 47 S CB -0.172 62.748 63.200 -0.465 0.000 0.829 47 S HN 0.370 nan 8.310 nan 0.000 0.479 48 N N 2.801 121.527 118.700 0.044 0.000 2.272 48 N HA -0.103 4.637 4.740 -0.000 0.000 0.185 48 N C 1.021 176.539 175.510 0.014 0.000 1.014 48 N CA 1.111 54.198 53.050 0.062 0.000 0.870 48 N CB -0.214 38.314 38.487 0.067 0.000 0.975 48 N HN 0.348 nan 8.380 nan 0.000 0.433 49 D N 0.195 120.610 120.400 0.025 0.000 2.144 49 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 49 D C 1.959 178.236 176.300 -0.039 0.000 0.978 49 D CA 0.276 54.310 54.000 0.056 0.000 0.833 49 D CB -0.312 40.617 40.800 0.214 0.000 0.961 49 D HN 0.149 nan 8.370 nan 0.000 0.470 50 L N 0.735 121.786 121.223 -0.286 0.000 2.127 50 L HA -0.122 4.217 4.340 -0.000 0.000 0.211 50 L C 2.008 178.789 176.870 -0.148 0.000 1.089 50 L CA 1.173 55.785 54.840 -0.380 0.000 0.757 50 L CB -0.401 41.139 42.059 -0.865 0.000 0.899 50 L HN 0.025 nan 8.230 nan 0.000 0.434 51 L N -1.267 119.919 121.223 -0.062 0.000 2.349 51 L HA -0.162 4.178 4.340 -0.000 0.000 0.220 51 L C 1.656 178.495 176.870 -0.051 0.000 1.130 51 L CA 1.046 55.846 54.840 -0.066 0.000 0.791 51 L CB -0.482 41.532 42.059 -0.074 0.000 0.918 51 L HN 0.240 nan 8.230 nan 0.000 0.444 52 S N -0.910 114.770 115.700 -0.033 0.000 2.554 52 S HA 0.258 4.727 4.470 -0.000 0.000 0.226 52 S C 0.253 174.850 174.600 -0.005 0.000 0.980 52 S CA -0.335 57.857 58.200 -0.013 0.000 0.939 52 S CB 0.386 63.587 63.200 0.001 0.000 0.832 52 S HN -0.023 nan 8.310 nan 0.000 0.486 53 L N 2.924 124.137 121.223 -0.018 0.000 2.344 53 L HA 0.466 4.806 4.340 -0.000 0.000 0.272 53 L C -1.558 175.317 176.870 0.008 0.000 1.035 53 L CA -2.037 52.801 54.840 -0.003 0.000 0.807 53 L CB 0.536 42.583 42.059 -0.021 0.000 1.237 53 L HN -0.109 nan 8.230 nan 0.000 0.442 54 P HA 0.132 nan 4.420 nan 0.000 0.249 54 P C 0.689 178.021 177.300 0.052 0.000 1.229 54 P CA 0.700 63.830 63.100 0.049 0.000 0.788 54 P CB 0.504 32.252 31.700 0.080 0.000 1.072 55 G N 0.646 109.481 108.800 0.059 0.000 2.564 55 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.273 55 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.273 55 G C 1.078 176.051 174.900 0.121 0.000 1.242 55 G CA -0.065 45.073 45.100 0.064 0.000 0.951 55 G HN 0.351 nan 8.290 nan 0.000 0.564 56 G N -0.413 108.441 108.800 0.091 0.000 2.679 56 G HA2 0.241 4.201 3.960 -0.000 0.000 0.212 56 G HA3 0.241 4.201 3.960 -0.000 0.000 0.212 56 G C 0.456 175.263 174.900 -0.155 0.000 1.137 56 G CA 1.203 46.365 45.100 0.104 0.000 0.787 56 G HN 0.641 nan 8.290 nan 0.000 0.534 57 D N 1.035 121.360 120.400 -0.124 0.000 2.741 57 D HA 0.167 4.807 4.640 -0.000 0.000 0.233 57 D C 0.462 176.663 176.300 -0.165 0.000 1.160 57 D CA -0.424 53.441 54.000 -0.226 0.000 1.003 57 D CB -0.096 40.642 40.800 -0.102 0.000 1.064 57 D HN 0.460 nan 8.370 nan 0.000 0.503 58 F N -1.018 118.935 119.950 0.005 0.000 2.639 58 F HA 0.355 4.882 4.527 -0.000 0.000 0.300 58 F C 0.446 176.251 175.800 0.008 0.000 1.109 58 F CA -0.966 57.037 58.000 0.004 0.000 1.335 58 F CB -0.038 38.960 39.000 -0.003 0.000 1.014 58 F HN -0.283 nan 8.300 nan 0.000 0.537 59 R N 1.017 121.484 120.500 -0.055 0.000 2.474 59 R HA 0.404 4.744 4.340 -0.000 0.000 0.295 59 R C 0.609 176.923 176.300 0.024 0.000 0.980 59 R CA -0.364 55.753 56.100 0.029 0.000 0.934 59 R CB 1.352 31.615 30.300 -0.061 0.000 1.101 59 R HN 0.347 nan 8.270 nan 0.000 0.469 60 T N -0.477 114.109 114.554 0.053 0.000 2.680 60 T HA 0.003 4.353 4.350 -0.000 0.000 0.314 60 T C 1.140 175.855 174.700 0.025 0.000 1.045 60 T CA -0.327 61.801 62.100 0.046 0.000 1.025 60 T CB 0.575 69.477 68.868 0.056 0.000 1.000 60 T HN 0.433 nan 8.240 nan 0.000 0.535 61 K N 0.113 120.530 120.400 0.028 0.000 2.097 61 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 61 K C 1.668 178.277 176.600 0.016 0.000 1.049 61 K CA 1.487 57.784 56.287 0.018 0.000 0.933 61 K CB -0.171 32.344 32.500 0.024 0.000 0.717 61 K HN 0.548 nan 8.250 nan 0.000 0.442 62 D N -1.018 119.396 120.400 0.024 0.000 2.336 62 D HA 0.079 4.718 4.640 -0.000 0.000 0.229 62 D C 0.699 177.013 176.300 0.022 0.000 1.061 62 D CA 0.827 54.840 54.000 0.022 0.000 0.875 62 D CB 0.554 41.370 40.800 0.027 0.000 0.904 62 D HN 0.382 nan 8.370 nan 0.000 0.525 63 G N 0.337 109.150 108.800 0.021 0.000 2.157 63 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.239 63 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.239 63 G C 0.383 175.309 174.900 0.044 0.000 0.982 63 G CA 0.180 45.293 45.100 0.021 0.000 0.650 63 G HN 0.353 nan 8.290 nan 0.000 0.527 64 V N 1.420 121.366 119.914 0.053 0.000 2.555 64 V HA 0.410 4.530 4.120 -0.000 0.000 0.286 64 V C 0.473 176.628 176.094 0.101 0.000 1.044 64 V CA -0.127 62.214 62.300 0.068 0.000 1.026 64 V CB 1.407 33.266 31.823 0.060 0.000 0.981 64 V HN 0.345 nan 8.190 nan 0.000 0.480 65 D N 5.239 125.712 120.400 0.122 0.000 2.363 65 D HA 0.040 4.680 4.640 -0.000 0.000 0.263 65 D C 0.812 177.181 176.300 0.116 0.000 1.258 65 D CA 0.078 54.185 54.000 0.178 0.000 0.907 65 D CB 0.637 41.522 40.800 0.141 0.000 1.107 65 D HN 0.669 nan 8.370 nan 0.000 0.495 66 C N 4.087 123.473 119.300 0.144 0.000 2.539 66 C HA 0.101 4.561 4.460 -0.000 0.000 0.271 66 C C 2.185 177.180 174.990 0.008 0.000 1.412 66 C CA -0.224 58.841 59.018 0.079 0.000 1.729 66 C CB -0.941 26.857 27.740 0.095 0.000 1.739 66 C HN 0.622 nan 8.230 nan 0.000 0.570 67 R N 0.746 121.213 120.500 -0.054 0.000 2.236 67 R HA 0.038 4.378 4.340 -0.000 0.000 0.208 67 R C 0.653 176.856 176.300 -0.163 0.000 1.036 67 R CA 0.527 56.530 56.100 -0.161 0.000 1.001 67 R CB -0.043 30.055 30.300 -0.336 0.000 0.896 67 R HN 0.472 nan 8.270 nan 0.000 0.464 68 N N -0.863 117.769 118.700 -0.113 0.000 2.531 68 N HA 0.121 4.861 4.740 -0.000 0.000 0.290 68 N C -1.054 174.416 175.510 -0.066 0.000 1.257 68 N CA -0.710 52.256 53.050 -0.140 0.000 0.863 68 N CB 0.698 39.137 38.487 -0.081 0.000 1.320 68 N HN -0.230 nan 8.380 nan 0.000 0.538 69 Y N 0.266 120.558 120.300 -0.015 0.000 2.550 69 Y HA 0.378 4.928 4.550 -0.000 0.000 0.343 69 Y C 1.430 177.328 175.900 -0.002 0.000 1.245 69 Y CA 0.763 58.858 58.100 -0.009 0.000 1.462 69 Y CB 0.107 38.559 38.460 -0.013 0.000 1.340 69 Y HN 0.610 nan 8.280 nan 0.000 0.604 70 G N -0.390 108.528 108.800 0.196 0.000 2.379 70 G HA2 0.507 4.467 3.960 -0.000 0.000 0.609 70 G HA3 0.507 4.467 3.960 -0.000 0.000 0.609 70 G C -0.567 174.380 174.900 0.079 0.000 1.484 70 G CA -0.172 44.990 45.100 0.103 0.000 0.921 70 G HN 1.456 nan 8.290 nan 0.000 0.658 71 G N -0.980 107.854 108.800 0.058 0.000 3.399 71 G HA2 0.210 4.170 3.960 -0.000 0.000 0.685 71 G HA3 0.210 4.170 3.960 -0.000 0.000 0.685 71 G C 0.480 175.417 174.900 0.061 0.000 0.952 71 G CA 0.237 45.371 45.100 0.057 0.000 0.793 71 G HN 1.953 nan 8.290 nan 0.000 0.492 72 L N 2.153 123.413 121.223 0.062 0.000 2.408 72 L HA 0.455 4.795 4.340 -0.000 0.000 0.215 72 L C 2.042 178.982 176.870 0.116 0.000 1.081 72 L CA 1.040 55.923 54.840 0.073 0.000 0.840 72 L CB 0.129 42.219 42.059 0.052 0.000 1.002 72 L HN 0.540 nan 8.230 nan 0.000 0.468 73 L N -0.335 120.957 121.223 0.115 0.000 2.693 73 L HA 0.572 4.912 4.340 -0.000 0.000 0.235 73 L C 0.722 177.657 176.870 0.108 0.000 1.127 73 L CA 0.430 55.355 54.840 0.142 0.000 0.914 73 L CB -0.362 41.783 42.059 0.144 0.000 1.193 73 L HN 0.261 nan 8.230 nan 0.000 0.502 74 G N 0.336 109.185 108.800 0.082 0.000 2.612 74 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.686 74 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.686 74 G C -0.361 174.585 174.900 0.077 0.000 1.274 74 G CA -0.404 44.734 45.100 0.064 0.000 0.849 74 G HN 0.298 nan 8.290 nan 0.000 0.595 75 I N -1.256 119.360 120.570 0.077 0.000 2.532 75 I HA 0.684 4.854 4.170 -0.000 0.000 0.292 75 I C 1.507 177.685 176.117 0.101 0.000 1.014 75 I CA -0.101 61.249 61.300 0.084 0.000 1.340 75 I CB 1.339 39.387 38.000 0.080 0.000 1.422 75 I HN 1.421 nan 8.210 nan 0.000 0.528 76 A N 3.708 126.581 122.820 0.088 0.000 1.927 76 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 76 A C 1.624 179.270 177.584 0.103 0.000 1.185 76 A CA 2.501 54.590 52.037 0.087 0.000 0.639 76 A CB -1.113 17.927 19.000 0.067 0.000 0.820 76 A HN 0.965 nan 8.150 nan 0.000 0.451 77 D N -0.610 119.853 120.400 0.105 0.000 2.117 77 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 77 D C 1.626 178.027 176.300 0.168 0.000 0.987 77 D CA 1.335 55.405 54.000 0.117 0.000 0.829 77 D CB -0.310 40.552 40.800 0.103 0.000 0.961 77 D HN 0.456 nan 8.370 nan 0.000 0.460 78 I N 0.153 120.845 120.570 0.203 0.000 2.500 78 I HA -0.045 4.125 4.170 -0.000 0.000 0.252 78 I C 1.907 178.227 176.117 0.339 0.000 1.142 78 I CA 0.946 62.430 61.300 0.306 0.000 1.451 78 I CB 0.038 38.230 38.000 0.320 0.000 1.093 78 I HN -0.174 nan 8.210 nan 0.000 0.430 79 R N 0.167 120.827 120.500 0.266 0.000 2.075 79 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 79 R C 2.146 178.534 176.300 0.148 0.000 1.126 79 R CA 1.675 57.917 56.100 0.237 0.000 0.963 79 R CB -0.328 30.077 30.300 0.176 0.000 0.858 79 R HN 0.432 nan 8.270 nan 0.000 0.435 80 E N 0.773 121.042 120.200 0.115 0.000 2.072 80 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 80 E C 2.036 178.666 176.600 0.050 0.000 0.985 80 E CA 0.907 57.345 56.400 0.064 0.000 0.801 80 E CB -0.064 29.669 29.700 0.055 0.000 0.750 80 E HN 0.217 nan 8.360 nan 0.000 0.452 81 L N 0.416 121.698 121.223 0.099 0.000 1.976 81 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 81 L C 2.317 179.201 176.870 0.023 0.000 1.071 81 L CA 1.386 56.275 54.840 0.082 0.000 0.746 81 L CB -0.274 41.895 42.059 0.183 0.000 0.890 81 L HN 0.376 nan 8.230 nan 0.000 0.432 82 W N 0.404 121.602 121.300 -0.171 0.000 2.338 82 W HA -0.296 4.364 4.660 -0.000 0.000 0.304 82 W C 2.397 178.714 176.519 -0.336 0.000 1.212 82 W CA 1.900 59.013 57.345 -0.385 0.000 1.264 82 W CB -0.194 28.727 29.460 -0.899 0.000 1.142 82 W HN 0.413 nan 8.180 nan 0.000 0.512 83 A N 0.088 122.859 122.820 -0.083 0.000 1.902 83 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 83 A C 1.896 179.359 177.584 -0.201 0.000 1.181 83 A CA 2.001 53.949 52.037 -0.149 0.000 0.623 83 A CB -1.132 17.822 19.000 -0.077 0.000 0.818 83 A HN 0.468 nan 8.150 nan 0.000 0.443 84 E N -0.227 119.875 120.200 -0.163 0.000 2.051 84 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 84 E C 2.174 178.623 176.600 -0.252 0.000 0.991 84 E CA 1.040 57.339 56.400 -0.168 0.000 0.799 84 E CB -0.259 29.369 29.700 -0.120 0.000 0.748 84 E HN 0.542 nan 8.360 nan 0.000 0.449 85 A N 0.802 123.409 122.820 -0.356 0.000 1.978 85 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 85 A C 2.074 179.364 177.584 -0.490 0.000 1.170 85 A CA 1.094 52.834 52.037 -0.496 0.000 0.636 85 A CB -0.398 18.165 19.000 -0.728 0.000 0.810 85 A HN 0.316 nan 8.150 nan 0.000 0.448 86 L N -1.872 119.066 121.223 -0.475 0.000 2.567 86 L HA 0.212 4.552 4.340 -0.000 0.000 0.225 86 L C 1.594 178.324 176.870 -0.233 0.000 1.119 86 L CA 0.555 55.188 54.840 -0.345 0.000 0.871 86 L CB -0.135 41.709 42.059 -0.359 0.000 1.036 86 L HN 0.594 nan 8.230 nan 0.000 0.459 87 G N 0.955 109.620 108.800 -0.224 0.000 2.132 87 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.228 87 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.228 87 G C -0.039 174.760 174.900 -0.168 0.000 1.000 87 G CA -0.157 44.842 45.100 -0.169 0.000 0.693 87 G HN 0.214 nan 8.290 nan 0.000 0.515 88 L N 0.083 121.186 121.223 -0.201 0.000 2.334 88 L HA 0.533 4.872 4.340 -0.000 0.000 0.273 88 L C -2.054 174.730 176.870 -0.145 0.000 1.013 88 L CA -2.556 52.160 54.840 -0.206 0.000 0.816 88 L CB 1.760 43.630 42.059 -0.314 0.000 1.278 88 L HN -0.168 nan 8.230 nan 0.000 0.431 89 P HA 0.031 nan 4.420 nan 0.000 0.267 89 P C 0.230 177.491 177.300 -0.065 0.000 1.205 89 P CA -0.014 63.041 63.100 -0.075 0.000 0.765 89 P CB 1.022 32.688 31.700 -0.057 0.000 0.828 90 A N 4.432 127.229 122.820 -0.039 0.000 1.917 90 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 90 A C 1.712 179.296 177.584 -0.000 0.000 1.182 90 A CA 2.157 54.186 52.037 -0.012 0.000 0.633 90 A CB -1.217 17.787 19.000 0.006 0.000 0.819 90 A HN 0.639 nan 8.150 nan 0.000 0.448 91 D N -0.793 119.606 120.400 -0.002 0.000 2.309 91 D HA -0.070 4.570 4.640 -0.000 0.000 0.212 91 D C 0.992 177.292 176.300 -0.000 0.000 0.968 91 D CA 0.678 54.684 54.000 0.009 0.000 0.882 91 D CB -0.279 40.528 40.800 0.012 0.000 0.918 91 D HN 0.307 nan 8.370 nan 0.000 0.503 92 L N 0.452 121.656 121.223 -0.032 0.000 2.769 92 L HA 0.266 4.606 4.340 -0.000 0.000 0.240 92 L C -0.181 176.623 176.870 -0.110 0.000 1.163 92 L CA -0.325 54.475 54.840 -0.067 0.000 0.962 92 L CB 0.620 42.630 42.059 -0.082 0.000 1.258 92 L HN -0.154 nan 8.230 nan 0.000 0.513 93 V N -0.324 119.558 119.914 -0.053 0.000 2.495 93 V HA 0.514 4.634 4.120 -0.000 0.000 0.298 93 V C -0.161 175.977 176.094 0.073 0.000 1.031 93 V CA -0.768 61.528 62.300 -0.007 0.000 0.871 93 V CB 2.565 34.407 31.823 0.031 0.000 0.988 93 V HN -0.229 nan 8.190 nan 0.000 0.432 94 V N 3.589 123.563 119.914 0.100 0.000 2.555 94 V HA 0.842 4.962 4.120 -0.000 0.000 0.302 94 V C 0.221 176.419 176.094 0.172 0.000 1.038 94 V CA -0.542 61.841 62.300 0.138 0.000 0.887 94 V CB 1.889 33.800 31.823 0.145 0.000 0.991 94 V HN 0.987 nan 8.190 nan 0.000 0.434 95 A N 3.885 126.761 122.820 0.092 0.000 2.318 95 A HA 0.821 5.141 4.320 -0.000 0.000 0.317 95 A C -0.298 177.196 177.584 -0.151 0.000 1.159 95 A CA -0.503 51.447 52.037 -0.144 0.000 0.799 95 A CB 1.490 20.441 19.000 -0.082 0.000 1.194 95 A HN 0.748 nan 8.150 nan 0.000 0.479 96 Q N 0.900 120.542 119.800 -0.263 0.000 3.081 96 Q HA 0.315 4.655 4.340 -0.000 0.000 0.204 96 Q C -0.521 175.369 176.000 -0.183 0.000 1.168 96 Q CA -0.329 55.395 55.803 -0.130 0.000 0.349 96 Q CB -0.003 28.715 28.738 -0.035 0.000 5.722 96 Q HN 0.765 nan 8.270 nan 0.000 0.302 97 D N -0.860 119.454 120.400 -0.143 0.000 2.384 97 D HA 0.290 4.930 4.640 -0.000 0.000 0.257 97 D C 1.032 177.226 176.300 -0.176 0.000 1.226 97 D CA 0.180 54.099 54.000 -0.135 0.000 1.129 97 D CB -0.293 40.467 40.800 -0.067 0.000 1.197 97 D HN 0.550 nan 8.370 nan 0.000 0.571 98 G N -0.902 107.827 108.800 -0.119 0.000 3.042 98 G HA2 0.171 4.131 3.960 -0.000 0.000 0.212 98 G HA3 0.171 4.131 3.960 -0.000 0.000 0.212 98 G C 0.151 174.998 174.900 -0.089 0.000 1.166 98 G CA 0.264 45.299 45.100 -0.109 0.000 0.767 98 G HN 0.218 nan 8.290 nan 0.000 0.546 99 S N -0.284 115.365 115.700 -0.084 0.000 2.720 99 S HA 0.390 4.859 4.470 -0.000 0.000 0.278 99 S C 1.241 175.820 174.600 -0.036 0.000 1.172 99 S CA 0.246 58.415 58.200 -0.051 0.000 1.019 99 S CB 1.283 64.457 63.200 -0.044 0.000 1.049 99 S HN 0.280 nan 8.310 nan 0.000 0.483 100 S N 4.825 120.521 115.700 -0.006 0.000 2.428 100 S HA -0.061 4.409 4.470 -0.000 0.000 0.230 100 S C 1.739 176.387 174.600 0.081 0.000 1.014 100 S CA 0.592 58.818 58.200 0.044 0.000 0.957 100 S CB -0.499 62.759 63.200 0.096 0.000 0.784 100 S HN 0.615 nan 8.310 nan 0.000 0.499 101 L N 2.868 124.140 121.223 0.082 0.000 2.079 101 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 101 L C 2.134 179.051 176.870 0.078 0.000 1.081 101 L CA 1.633 56.536 54.840 0.105 0.000 0.752 101 L CB -1.119 40.975 42.059 0.059 0.000 0.896 101 L HN 0.405 nan 8.230 nan 0.000 0.433 102 N N -0.811 117.895 118.700 0.011 0.000 2.104 102 N HA -0.151 4.588 4.740 -0.000 0.000 0.190 102 N C 0.885 176.400 175.510 0.008 0.000 1.024 102 N CA 0.831 53.871 53.050 -0.016 0.000 0.853 102 N CB -0.151 38.310 38.487 -0.043 0.000 1.008 102 N HN 0.274 nan 8.380 nan 0.000 0.424 106 D N 1.780 122.032 120.400 -0.247 0.000 2.149 106 D HA -0.008 4.632 4.640 -0.000 0.000 0.201 106 D C 2.236 177.782 176.300 -1.257 0.000 0.972 106 D CA 1.734 55.193 54.000 -0.903 0.000 0.835 106 D CB -0.177 39.951 40.800 -1.120 0.000 0.966 106 D HN 0.366 nan 8.370 nan 0.000 0.476 107 L N 0.355 121.067 121.223 -0.850 0.000 2.012 107 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 107 L C 2.499 179.129 176.870 -0.401 0.000 1.073 107 L CA 0.903 55.305 54.840 -0.730 0.000 0.748 107 L CB -0.316 41.003 42.059 -1.233 0.000 0.891 107 L HN 0.014 nan 8.230 nan 0.000 0.431 108 I N -1.148 119.186 120.570 -0.393 0.000 2.252 108 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 108 I C 2.856 178.595 176.117 -0.630 0.000 1.102 108 I CA 1.254 62.346 61.300 -0.347 0.000 1.385 108 I CB -0.285 37.430 38.000 -0.474 0.000 1.064 108 I HN 0.217 nan 8.210 nan 0.000 0.414 109 S N 0.332 115.540 115.700 -0.820 0.000 2.359 109 S HA -0.208 4.261 4.470 -0.000 0.000 0.224 109 S C 1.843 176.400 174.600 -0.072 0.000 1.035 109 S CA 1.524 59.398 58.200 -0.543 0.000 1.018 109 S CB -0.307 62.647 63.200 -0.409 0.000 0.876 109 S HN 0.459 nan 8.310 nan 0.000 0.448 110 W N 1.574 122.795 121.300 -0.132 0.000 2.518 110 W HA 0.286 4.945 4.660 -0.000 0.000 0.273 110 W C 2.801 179.383 176.519 0.105 0.000 1.247 110 W CA 0.238 57.586 57.345 0.003 0.000 1.288 110 W CB -1.617 27.738 29.460 -0.176 0.000 1.107 110 W HN 0.304 nan 8.180 nan 0.000 0.586 111 S N -0.254 115.558 115.700 0.187 0.000 2.382 111 S HA -0.224 4.246 4.470 -0.000 0.000 0.228 111 S C 1.613 175.946 174.600 -0.444 0.000 1.027 111 S CA 1.302 59.321 58.200 -0.302 0.000 0.991 111 S CB -0.748 61.820 63.200 -1.054 0.000 0.823 111 S HN 0.292 nan 8.310 nan 0.000 0.469 112 Y N 2.392 122.499 120.300 -0.322 0.000 2.200 112 Y HA -0.143 4.407 4.550 -0.000 0.000 0.290 112 Y C 2.537 178.383 175.900 -0.091 0.000 1.137 112 Y CA 1.640 59.702 58.100 -0.064 0.000 1.163 112 Y CB -0.580 37.852 38.460 -0.046 0.000 0.988 112 Y HN 0.176 nan 8.280 nan 0.000 0.518 113 T N -1.263 113.224 114.554 -0.112 0.000 2.809 113 T HA -0.124 4.226 4.350 -0.000 0.000 0.260 113 T C 1.088 175.508 174.700 -0.467 0.000 1.039 113 T CA 1.461 63.273 62.100 -0.480 0.000 1.141 113 T CB -0.194 68.026 68.868 -1.080 0.000 0.869 113 T HN 0.454 nan 8.240 nan 0.000 0.437 114 W N 0.919 122.224 121.300 0.008 0.000 2.725 114 W HA 0.508 5.168 4.660 -0.000 0.000 0.336 114 W C 1.016 177.585 176.519 0.083 0.000 1.012 114 W CA -0.046 57.333 57.345 0.056 0.000 1.566 114 W CB -0.233 29.279 29.460 0.086 0.000 1.068 114 W HN 0.441 nan 8.180 nan 0.000 0.546 115 G N 2.457 111.343 108.800 0.144 0.000 2.787 115 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.685 115 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.685 115 G C -0.259 174.699 174.900 0.097 0.000 1.437 115 G CA -0.311 44.775 45.100 -0.023 0.000 0.872 115 G HN 0.222 nan 8.290 nan 0.000 0.566 116 N N -0.037 118.528 118.700 -0.226 0.000 2.405 116 N HA 0.345 5.085 4.740 -0.000 0.000 0.269 116 N C 1.709 176.936 175.510 -0.472 0.000 1.249 116 N CA 0.035 52.695 53.050 -0.651 0.000 0.974 116 N CB 0.294 38.269 38.487 -0.853 0.000 1.204 116 N HN 0.758 nan 8.380 nan 0.000 0.565 117 N N -0.659 117.555 118.700 -0.810 0.000 2.258 117 N HA -0.224 4.516 4.740 -0.000 0.000 0.187 117 N C -0.294 175.171 175.510 -0.076 0.000 1.012 117 N CA 1.321 54.247 53.050 -0.206 0.000 0.870 117 N CB -0.397 38.064 38.487 -0.042 0.000 0.977 117 N HN 0.618 nan 8.380 nan 0.000 0.434 118 D N 0.218 120.552 120.400 -0.111 0.000 2.339 118 D HA 0.107 4.747 4.640 -0.000 0.000 0.217 118 D C -0.210 176.099 176.300 0.015 0.000 1.050 118 D CA 0.094 54.078 54.000 -0.028 0.000 0.856 118 D CB 0.391 41.174 40.800 -0.028 0.000 0.922 118 D HN 0.140 nan 8.370 nan 0.000 0.518 119 S N -0.063 115.649 115.700 0.019 0.000 2.565 119 S HA 0.125 4.595 4.470 -0.000 0.000 0.274 119 S C 1.435 176.082 174.600 0.079 0.000 1.309 119 S CA -0.497 57.752 58.200 0.081 0.000 1.043 119 S CB 1.758 65.005 63.200 0.078 0.000 0.939 119 S HN 0.195 nan 8.310 nan 0.000 0.504 120 S N 1.712 117.463 115.700 0.085 0.000 2.502 120 S HA 0.159 4.629 4.470 -0.000 0.000 0.215 120 S C 0.495 175.142 174.600 0.079 0.000 1.009 120 S CA -0.553 57.690 58.200 0.072 0.000 0.908 120 S CB 0.046 63.278 63.200 0.053 0.000 0.801 120 S HN 0.792 nan 8.310 nan 0.000 0.505 121 R N 0.790 121.349 120.500 0.098 0.000 2.771 121 R HA 0.600 4.940 4.340 -0.000 0.000 0.274 121 R C -3.478 172.892 176.300 0.117 0.000 0.987 121 R CA -2.083 54.073 56.100 0.093 0.000 0.908 121 R CB 0.450 30.792 30.300 0.069 0.000 1.213 121 R HN -0.056 nan 8.270 nan 0.000 0.468 122 P HA -0.038 nan 4.420 nan 0.000 0.269 122 P C 0.233 177.573 177.300 0.065 0.000 1.209 122 P CA -0.255 62.844 63.100 -0.001 0.000 0.776 122 P CB 0.395 32.054 31.700 -0.068 0.000 0.876 123 W N 1.231 122.466 121.300 -0.109 0.000 2.465 123 W HA -0.108 4.552 4.660 -0.000 0.000 0.268 123 W C 2.342 178.631 176.519 -0.384 0.000 1.242 123 W CA 1.328 58.581 57.345 -0.152 0.000 1.248 123 W CB -2.322 27.135 29.460 -0.005 0.000 1.118 123 W HN 0.428 nan 8.180 nan 0.000 0.587 124 S N 0.433 115.723 115.700 -0.682 0.000 2.440 124 S HA -0.103 4.366 4.470 -0.000 0.000 0.238 124 S C 1.951 176.397 174.600 -0.255 0.000 1.010 124 S CA 1.305 58.977 58.200 -0.881 0.000 0.972 124 S CB -0.676 61.989 63.200 -0.892 0.000 0.774 124 S HN 0.107 nan 8.310 nan 0.000 0.501 125 A N 1.286 124.028 122.820 -0.131 0.000 2.119 125 A HA 0.133 4.452 4.320 -0.000 0.000 0.216 125 A C 0.977 178.558 177.584 -0.006 0.000 1.152 125 A CA 0.243 52.256 52.037 -0.040 0.000 0.708 125 A CB -0.209 18.785 19.000 -0.010 0.000 0.805 125 A HN 0.473 nan 8.150 nan 0.000 0.460 126 E N 1.322 121.524 120.200 0.002 0.000 2.360 126 E HA 0.048 4.398 4.350 -0.000 0.000 0.269 126 E C 0.564 177.178 176.600 0.022 0.000 1.022 126 E CA -0.127 56.277 56.400 0.006 0.000 0.887 126 E CB 0.461 30.148 29.700 -0.021 0.000 0.990 126 E HN 0.522 nan 8.360 nan 0.000 0.426 127 E N 2.476 122.687 120.200 0.018 0.000 2.160 127 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 127 E C 0.399 177.027 176.600 0.046 0.000 0.991 127 E CA 1.271 57.691 56.400 0.033 0.000 0.810 127 E CB 0.163 29.877 29.700 0.023 0.000 0.742 127 E HN 0.270 nan 8.360 nan 0.000 0.466 128 K N 0.122 120.536 120.400 0.022 0.000 2.535 128 K HA 0.382 4.702 4.320 -0.000 0.000 0.251 128 K C -1.774 174.798 176.600 -0.047 0.000 0.942 128 K CA -0.465 55.835 56.287 0.021 0.000 0.798 128 K CB 2.541 35.048 32.500 0.013 0.000 1.267 128 K HN -0.182 nan 8.250 nan 0.000 0.434 129 V N 4.395 124.264 119.914 -0.074 0.000 2.378 129 V HA 0.365 4.485 4.120 -0.000 0.000 0.288 129 V C -0.538 175.449 176.094 -0.178 0.000 1.016 129 V CA -0.853 61.260 62.300 -0.311 0.000 0.840 129 V CB 1.287 32.620 31.823 -0.817 0.000 0.994 129 V HN 0.677 nan 8.190 nan 0.000 0.431 130 K N 4.428 124.745 120.400 -0.138 0.000 2.143 130 K HA 0.440 4.760 4.320 -0.000 0.000 0.272 130 K C -1.006 175.615 176.600 0.035 0.000 1.001 130 K CA -0.481 55.801 56.287 -0.009 0.000 0.915 130 K CB 2.004 34.490 32.500 -0.024 0.000 1.047 130 K HN 0.692 nan 8.250 nan 0.000 0.458 131 W N 5.571 126.828 121.300 -0.071 0.000 2.900 131 W HA 0.305 4.965 4.660 -0.000 0.000 0.336 131 W C -1.486 175.052 176.519 0.031 0.000 1.064 131 W CA -0.755 56.556 57.345 -0.056 0.000 1.237 131 W CB 0.993 30.500 29.460 0.079 0.000 1.391 131 W HN 0.427 nan 8.180 nan 0.000 0.468 132 L N 5.562 126.682 121.223 -0.171 0.000 2.319 132 L HA 0.279 4.619 4.340 -0.000 0.000 0.280 132 L C -0.068 176.919 176.870 0.196 0.000 1.099 132 L CA -0.279 54.567 54.840 0.011 0.000 0.828 132 L CB 0.846 42.889 42.059 -0.026 0.000 1.150 132 L HN 0.267 nan 8.230 nan 0.000 0.442 133 C N 4.464 123.901 119.300 0.227 0.000 2.357 133 C HA 0.344 4.804 4.460 -0.000 0.000 0.300 133 C C -2.102 173.022 174.990 0.223 0.000 1.074 133 C CA -1.664 57.531 59.018 0.295 0.000 1.566 133 C CB 0.257 27.954 27.740 -0.073 0.000 1.791 133 C HN 0.505 nan 8.230 nan 0.000 0.415 134 P HA 0.227 nan 4.420 nan 0.000 0.268 134 P C -0.344 177.096 177.300 0.232 0.000 1.205 134 P CA 0.365 63.599 63.100 0.224 0.000 0.771 134 P CB 0.767 32.618 31.700 0.251 0.000 0.858 135 V N 5.316 125.291 119.914 0.102 0.000 2.888 135 V HA 0.396 4.516 4.120 -0.000 0.000 0.309 135 V C -2.360 173.686 176.094 -0.080 0.000 1.114 135 V CA -2.246 60.014 62.300 -0.068 0.000 0.940 135 V CB 2.323 34.078 31.823 -0.114 0.000 1.021 135 V HN 0.441 nan 8.190 nan 0.000 0.426 136 P HA 0.363 nan 4.420 nan 0.000 0.265 136 P C -0.045 177.183 177.300 -0.121 0.000 1.187 136 P CA 0.508 63.374 63.100 -0.389 0.000 0.766 136 P CB 0.575 32.167 31.700 -0.180 0.000 0.820 137 G N 0.971 109.724 108.800 -0.078 0.000 3.135 137 G HA2 0.425 4.384 3.960 -0.000 0.000 0.278 137 G HA3 0.425 4.384 3.960 -0.000 0.000 0.278 137 G C -1.954 172.782 174.900 -0.273 0.000 1.302 137 G CA -0.582 44.517 45.100 -0.002 0.000 0.880 137 G HN 0.471 nan 8.290 nan 0.000 0.574 138 Y N 1.463 121.279 120.300 -0.807 0.000 2.353 138 Y HA 0.243 4.793 4.550 -0.000 0.000 0.340 138 Y C 1.637 176.897 175.900 -1.067 0.000 0.972 138 Y CA -0.787 56.791 58.100 -0.871 0.000 1.157 138 Y CB 1.314 39.174 38.460 -1.000 0.000 1.157 138 Y HN 0.691 nan 8.280 nan 0.000 0.495 139 D N 4.684 124.656 120.400 -0.715 0.000 2.158 139 D HA -0.249 4.391 4.640 -0.000 0.000 0.197 139 D C 1.353 177.201 176.300 -0.754 0.000 0.995 139 D CA 1.414 55.041 54.000 -0.622 0.000 0.846 139 D CB -0.081 40.515 40.800 -0.341 0.000 0.941 139 D HN 0.647 nan 8.370 nan 0.000 0.456 140 R N -0.473 119.300 120.500 -1.211 0.000 2.148 140 R HA -0.038 4.302 4.340 -0.000 0.000 0.227 140 R C 2.514 178.323 176.300 -0.818 0.000 1.103 140 R CA 0.946 56.475 56.100 -0.951 0.000 0.983 140 R CB -0.420 29.303 30.300 -0.962 0.000 0.874 140 R HN 0.543 nan 8.270 nan 0.000 0.451 141 H N -0.486 117.805 119.070 -1.299 0.000 2.267 141 H HA -0.142 4.414 4.556 -0.000 0.000 0.297 141 H C 1.769 176.521 175.328 -0.960 0.000 1.080 141 H CA 1.380 56.456 56.048 -1.619 0.000 1.278 141 H CB -0.060 28.466 29.762 -2.061 0.000 1.365 141 H HN 0.111 nan 8.280 nan 0.000 0.489 142 F N 0.397 120.082 119.950 -0.442 0.000 2.269 142 F HA -0.139 4.388 4.527 -0.000 0.000 0.301 142 F C 2.604 178.387 175.800 -0.028 0.000 1.082 142 F CA 0.845 58.786 58.000 -0.099 0.000 1.360 142 F CB -1.181 37.790 39.000 -0.047 0.000 1.041 142 F HN 0.074 nan 8.300 nan 0.000 0.512 143 T N 0.523 115.099 114.554 0.036 0.000 2.867 143 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 143 T C 2.258 177.005 174.700 0.078 0.000 1.057 143 T CA 1.038 63.163 62.100 0.041 0.000 1.136 143 T CB -0.345 68.489 68.868 -0.057 0.000 0.874 143 T HN 0.173 nan 8.240 nan 0.000 0.466 144 I N 1.543 122.174 120.570 0.102 0.000 2.202 144 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 144 I C 2.788 179.044 176.117 0.231 0.000 1.091 144 I CA 1.410 62.856 61.300 0.244 0.000 1.368 144 I CB -0.382 37.841 38.000 0.372 0.000 1.058 144 I HN 0.363 nan 8.210 nan 0.000 0.410 145 T N -2.167 112.506 114.554 0.198 0.000 2.942 145 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 145 T C 1.684 176.350 174.700 -0.056 0.000 1.062 145 T CA 0.826 62.866 62.100 -0.101 0.000 1.139 145 T CB -0.329 68.561 68.868 0.036 0.000 0.883 145 T HN 0.364 nan 8.240 nan 0.000 0.468 146 E N 0.701 120.963 120.200 0.104 0.000 2.085 146 E HA -0.302 4.048 4.350 -0.000 0.000 0.194 146 E C 2.172 178.784 176.600 0.020 0.000 0.994 146 E CA 1.320 57.776 56.400 0.093 0.000 0.801 146 E CB -0.218 29.563 29.700 0.135 0.000 0.743 146 E HN 0.635 nan 8.360 nan 0.000 0.453 147 H N -1.265 117.724 119.070 -0.135 0.000 2.456 147 H HA -0.087 4.469 4.556 -0.000 0.000 0.296 147 H C 0.992 176.001 175.328 -0.531 0.000 1.079 147 H CA 1.418 57.289 56.048 -0.296 0.000 1.322 147 H CB -0.042 29.526 29.762 -0.322 0.000 1.388 147 H HN 0.157 nan 8.280 nan 0.000 0.538 148 F N -1.049 118.621 119.950 -0.467 0.000 2.727 148 F HA 0.226 4.753 4.527 -0.000 0.000 0.302 148 F C 1.743 177.299 175.800 -0.406 0.000 1.097 148 F CA 0.458 57.997 58.000 -0.768 0.000 1.330 148 F CB 0.503 38.668 39.000 -1.391 0.000 1.084 148 F HN 0.274 nan 8.300 nan 0.000 0.578 149 G N 0.361 109.114 108.800 -0.079 0.000 2.198 149 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 149 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 149 G C 0.072 175.185 174.900 0.355 0.000 1.025 149 G CA -0.455 44.716 45.100 0.118 0.000 0.769 149 G HN 0.088 nan 8.290 nan 0.000 0.507 150 F N 0.656 120.682 119.950 0.128 0.000 2.418 150 F HA 0.514 5.041 4.527 -0.000 0.000 0.341 150 F C 1.018 176.892 175.800 0.124 0.000 1.120 150 F CA -1.456 56.622 58.000 0.130 0.000 1.232 150 F CB 0.761 39.819 39.000 0.098 0.000 1.175 150 F HN 0.378 nan 8.300 nan 0.000 0.569 154 N N 4.415 123.145 118.700 0.050 0.000 2.497 154 N HA 0.427 5.167 4.740 -0.000 0.000 0.268 154 N C -0.598 174.953 175.510 0.067 0.000 1.171 154 N CA -0.172 52.913 53.050 0.058 0.000 0.948 154 N CB 1.693 40.241 38.487 0.101 0.000 1.069 154 N HN 0.433 nan 8.380 nan 0.000 0.460 155 V N 1.743 121.702 119.914 0.075 0.000 2.540 155 V HA 0.705 4.825 4.120 -0.000 0.000 0.302 155 V C -2.512 173.624 176.094 0.070 0.000 1.035 155 V CA -2.160 60.178 62.300 0.063 0.000 0.873 155 V CB 2.068 33.919 31.823 0.046 0.000 0.992 155 V HN 0.458 nan 8.190 nan 0.000 0.428 159 D N 0.160 120.594 120.400 0.058 0.000 2.349 159 D HA 0.151 4.791 4.640 -0.000 0.000 0.224 159 D C 1.158 177.511 176.300 0.089 0.000 1.029 159 D CA 0.308 54.355 54.000 0.078 0.000 0.879 159 D CB 0.344 41.182 40.800 0.064 0.000 0.906 159 D HN 0.486 nan 8.370 nan 0.000 0.528 160 E N -0.126 120.114 120.200 0.066 0.000 2.473 160 E HA 0.259 4.609 4.350 -0.000 0.000 0.204 160 E C 1.207 177.833 176.600 0.042 0.000 0.994 160 E CA 0.078 56.517 56.400 0.065 0.000 0.945 160 E CB 1.599 31.315 29.700 0.027 0.000 0.990 160 E HN 0.228 nan 8.360 nan 0.000 0.493 161 G N 1.501 110.287 108.800 -0.022 0.000 2.265 161 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.246 161 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.246 161 G C -2.845 171.851 174.900 -0.340 0.000 1.299 161 G CA -1.069 43.813 45.100 -0.364 0.000 1.117 161 G HN -0.113 nan 8.290 nan 0.000 0.485 162 P HA 0.259 nan 4.420 nan 0.000 0.269 162 P C -0.217 177.003 177.300 -0.133 0.000 1.209 162 P CA -0.075 62.890 63.100 -0.225 0.000 0.776 162 P CB 0.624 32.201 31.700 -0.205 0.000 0.876 166 V N 1.668 121.564 119.914 -0.032 0.000 2.295 166 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 166 V C 2.927 178.996 176.094 -0.042 0.000 1.049 166 V CA 2.230 64.513 62.300 -0.028 0.000 1.024 166 V CB -0.588 31.228 31.823 -0.012 0.000 0.648 166 V HN 0.245 nan 8.190 nan 0.000 0.447 167 V N -0.248 119.637 119.914 -0.047 0.000 2.261 167 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 167 V C 2.557 178.586 176.094 -0.107 0.000 1.047 167 V CA 2.150 64.410 62.300 -0.065 0.000 1.015 167 V CB -0.814 30.976 31.823 -0.054 0.000 0.642 167 V HN 0.432 nan 8.190 nan 0.000 0.446 168 R N -0.419 120.019 120.500 -0.103 0.000 2.127 168 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 168 R C 2.355 178.584 176.300 -0.118 0.000 1.134 168 R CA 1.562 57.588 56.100 -0.123 0.000 0.975 168 R CB -0.207 30.034 30.300 -0.098 0.000 0.865 168 R HN 0.501 nan 8.270 nan 0.000 0.447 169 E N 0.824 120.971 120.200 -0.089 0.000 2.072 169 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 169 E C 1.780 178.328 176.600 -0.088 0.000 0.985 169 E CA 1.049 57.402 56.400 -0.078 0.000 0.801 169 E CB -0.078 29.589 29.700 -0.055 0.000 0.750 169 E HN 0.239 nan 8.360 nan 0.000 0.452 170 L N -0.074 121.095 121.223 -0.091 0.000 2.156 170 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 170 L C 2.307 179.099 176.870 -0.130 0.000 1.095 170 L CA 0.925 55.712 54.840 -0.088 0.000 0.770 170 L CB -0.331 41.690 42.059 -0.064 0.000 0.914 170 L HN 0.178 nan 8.230 nan 0.000 0.439 171 V N -3.559 116.237 119.914 -0.196 0.000 3.141 171 V HA -0.128 3.992 4.120 -0.000 0.000 0.265 171 V C 2.040 177.981 176.094 -0.255 0.000 1.126 171 V CA 1.026 63.139 62.300 -0.311 0.000 1.141 171 V CB -0.743 30.763 31.823 -0.529 0.000 0.743 171 V HN 0.321 nan 8.190 nan 0.000 0.492 172 K N 1.060 121.352 120.400 -0.180 0.000 2.360 172 K HA -0.045 4.275 4.320 -0.000 0.000 0.201 172 K C 0.843 177.377 176.600 -0.112 0.000 1.046 172 K CA 0.965 57.170 56.287 -0.136 0.000 0.945 172 K CB -0.225 32.212 32.500 -0.105 0.000 0.750 172 K HN 0.606 nan 8.250 nan 0.000 0.464 173 D N 0.231 120.565 120.400 -0.110 0.000 2.295 173 D HA 0.059 4.699 4.640 -0.000 0.000 0.248 173 D C -1.974 174.266 176.300 -0.101 0.000 1.154 173 D CA -2.592 51.355 54.000 -0.089 0.000 0.857 173 D CB 1.502 42.258 40.800 -0.074 0.000 1.117 173 D HN -0.194 nan 8.370 nan 0.000 0.468 174 P HA -0.127 nan 4.420 nan 0.000 0.218 174 P C 0.961 178.200 177.300 -0.101 0.000 1.148 174 P CA 1.150 64.199 63.100 -0.085 0.000 0.822 174 P CB 0.230 31.893 31.700 -0.063 0.000 0.784 175 Q N -0.970 118.770 119.800 -0.099 0.000 2.364 175 Q HA -0.009 4.331 4.340 -0.000 0.000 0.207 175 Q C 0.156 176.053 176.000 -0.172 0.000 0.970 175 Q CA 0.339 56.067 55.803 -0.126 0.000 0.888 175 Q CB -0.174 28.512 28.738 -0.087 0.000 0.951 175 Q HN 0.108 nan 8.270 nan 0.000 0.469 176 V N 2.323 122.151 119.914 -0.143 0.000 2.397 176 V HA -0.008 4.112 4.120 -0.000 0.000 0.262 176 V C 0.785 176.780 176.094 -0.165 0.000 1.047 176 V CA 0.390 62.607 62.300 -0.139 0.000 1.003 176 V CB 0.859 32.631 31.823 -0.085 0.000 1.037 176 V HN 0.142 nan 8.190 nan 0.000 0.480 177 K N 3.296 123.454 120.400 -0.403 0.000 2.361 177 K HA 0.364 4.684 4.320 -0.000 0.000 0.194 177 K C 0.721 176.667 176.600 -1.090 0.000 1.032 177 K CA 0.586 56.455 56.287 -0.697 0.000 1.048 177 K CB 1.168 32.882 32.500 -1.310 0.000 0.842 177 K HN 0.817 nan 8.250 nan 0.000 0.526 181 T N -1.193 113.690 114.554 0.549 0.000 2.909 181 T HA 0.779 5.129 4.350 -0.000 0.000 0.299 181 T C -1.486 173.341 174.700 0.212 0.000 1.073 181 T CA -0.918 61.434 62.100 0.420 0.000 0.999 181 T CB 1.870 70.971 68.868 0.389 0.000 1.098 181 T HN 0.272 nan 8.240 nan 0.000 0.477 182 V N 3.899 123.819 119.914 0.010 0.000 2.289 182 V HA 0.361 4.481 4.120 -0.000 0.000 0.272 182 V C -1.645 173.997 176.094 -0.754 0.000 1.026 182 V CA -1.670 60.488 62.300 -0.237 0.000 0.807 182 V CB 1.209 33.005 31.823 -0.045 0.000 1.044 182 V HN 0.809 nan 8.190 nan 0.000 0.443 183 P HA 0.049 nan 4.420 nan 0.000 0.236 183 P C 0.212 176.885 177.300 -1.045 0.000 1.177 183 P CA 0.606 62.520 63.100 -1.978 0.000 0.773 183 P CB 0.809 31.125 31.700 -2.307 0.000 0.878 184 V N 0.937 120.476 119.914 -0.625 0.000 2.531 184 V HA 0.312 4.432 4.120 -0.000 0.000 0.301 184 V C -0.268 175.675 176.094 -0.252 0.000 1.034 184 V CA -0.778 61.240 62.300 -0.470 0.000 0.865 184 V CB 0.728 32.306 31.823 -0.409 0.000 0.995 184 V HN -0.102 nan 8.190 nan 0.000 0.424 185 F N 1.832 121.747 119.950 -0.058 0.000 2.866 185 F HA -0.162 4.365 4.527 -0.000 0.000 0.254 185 F C 1.492 177.238 175.800 -0.091 0.000 1.009 185 F CA 0.748 58.706 58.000 -0.070 0.000 0.907 185 F CB -1.439 37.505 39.000 -0.093 0.000 0.859 185 F HN 0.704 nan 8.300 nan 0.000 0.842 186 G N 1.165 109.998 108.800 0.055 0.000 2.321 186 G HA2 0.089 4.049 3.960 -0.000 0.000 0.237 186 G HA3 0.089 4.049 3.960 -0.000 0.000 0.237 186 G C 0.281 175.214 174.900 0.056 0.000 1.282 186 G CA -0.332 44.789 45.100 0.035 0.000 0.886 186 G HN 0.527 nan 8.290 nan 0.000 0.528 187 N N 2.869 121.593 118.700 0.039 0.000 2.405 187 N HA 0.225 4.965 4.740 -0.000 0.000 0.260 187 N C -1.409 174.016 175.510 -0.142 0.000 1.152 187 N CA -2.341 50.677 53.050 -0.054 0.000 0.948 187 N CB 1.750 40.130 38.487 -0.178 0.000 1.111 187 N HN 0.181 nan 8.380 nan 0.000 0.485 188 P HA 0.112 nan 4.420 nan 0.000 0.272 188 P C 0.755 178.108 177.300 0.089 0.000 1.276 188 P CA 0.323 63.382 63.100 -0.068 0.000 0.871 188 P CB 0.160 31.776 31.700 -0.139 0.000 1.313 189 T N -4.312 110.292 114.554 0.083 0.000 3.085 189 T HA 0.176 4.526 4.350 -0.000 0.000 0.263 189 T C 1.696 176.478 174.700 0.136 0.000 1.127 189 T CA 1.023 63.192 62.100 0.115 0.000 1.103 189 T CB -1.273 67.664 68.868 0.115 0.000 0.921 189 T HN 0.189 nan 8.240 nan 0.000 0.510 190 G N 0.630 109.511 108.800 0.135 0.000 2.189 190 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.267 190 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.267 190 G C 0.153 175.159 174.900 0.177 0.000 0.975 190 G CA 0.149 45.340 45.100 0.152 0.000 0.644 190 G HN 0.720 nan 8.290 nan 0.000 0.537 191 V N 1.718 121.720 119.914 0.146 0.000 2.555 191 V HA 0.548 4.668 4.120 -0.000 0.000 0.286 191 V C 1.061 177.205 176.094 0.083 0.000 1.044 191 V CA 0.726 63.116 62.300 0.151 0.000 1.026 191 V CB 1.452 33.396 31.823 0.202 0.000 0.981 191 V HN 0.767 nan 8.190 nan 0.000 0.480 192 T N 4.461 119.044 114.554 0.049 0.000 2.779 192 T HA 0.530 4.880 4.350 -0.000 0.000 0.280 192 T C -0.420 174.397 174.700 0.195 0.000 0.987 192 T CA -0.531 61.531 62.100 -0.063 0.000 0.966 192 T CB 0.388 69.093 68.868 -0.272 0.000 0.933 192 T HN 0.294 nan 8.240 nan 0.000 0.442 193 F N 3.599 123.558 119.950 0.015 0.000 2.578 193 F HA 0.204 4.731 4.527 -0.000 0.000 0.381 193 F C 1.901 177.776 175.800 0.124 0.000 1.069 193 F CA -1.093 56.959 58.000 0.086 0.000 1.231 193 F CB 0.566 39.650 39.000 0.141 0.000 1.086 193 F HN 0.831 nan 8.300 nan 0.000 0.564 194 S N 2.156 118.016 115.700 0.267 0.000 2.580 194 S HA -0.072 4.398 4.470 -0.000 0.000 0.261 194 S C 1.101 175.742 174.600 0.067 0.000 1.366 194 S CA -0.457 57.840 58.200 0.161 0.000 0.996 194 S CB 1.102 64.359 63.200 0.095 0.000 0.902 194 S HN 0.829 nan 8.310 nan 0.000 0.566 195 E N 0.346 120.494 120.200 -0.086 0.000 2.058 195 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 195 E C 2.186 178.709 176.600 -0.129 0.000 0.997 195 E CA 1.573 57.757 56.400 -0.361 0.000 0.801 195 E CB -0.284 29.284 29.700 -0.221 0.000 0.746 195 E HN 0.862 nan 8.360 nan 0.000 0.450 196 Q N -0.245 119.519 119.800 -0.060 0.000 2.135 196 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 196 Q C 1.976 177.969 176.000 -0.011 0.000 0.981 196 Q CA 2.115 57.887 55.803 -0.051 0.000 0.856 196 Q CB -0.040 28.679 28.738 -0.032 0.000 0.902 196 Q HN 0.219 nan 8.270 nan 0.000 0.425 197 T N -0.082 114.494 114.554 0.037 0.000 2.746 197 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 197 T C 1.894 176.698 174.700 0.173 0.000 1.039 197 T CA 1.337 63.480 62.100 0.071 0.000 1.142 197 T CB -0.428 68.468 68.868 0.047 0.000 0.866 197 T HN 0.441 nan 8.240 nan 0.000 0.444 198 C N 1.184 120.634 119.300 0.251 0.000 2.425 198 C HA 0.001 4.461 4.460 -0.000 0.000 0.277 198 C C 2.867 178.016 174.990 0.265 0.000 1.280 198 C CA 0.410 59.633 59.018 0.340 0.000 1.744 198 C CB -1.002 26.956 27.740 0.362 0.000 1.989 198 C HN 0.517 nan 8.230 nan 0.000 0.491 199 R N 0.661 121.200 120.500 0.065 0.000 2.075 199 R HA -0.071 4.269 4.340 -0.000 0.000 0.226 199 R C 2.152 178.443 176.300 -0.015 0.000 1.114 199 R CA 1.067 57.094 56.100 -0.121 0.000 0.972 199 R CB -0.317 29.786 30.300 -0.329 0.000 0.869 199 R HN 0.658 nan 8.270 nan 0.000 0.437 200 E N 0.769 120.972 120.200 0.005 0.000 2.153 200 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 200 E C 1.996 178.624 176.600 0.046 0.000 0.988 200 E CA 0.931 57.335 56.400 0.006 0.000 0.811 200 E CB -0.059 29.634 29.700 -0.011 0.000 0.746 200 E HN 0.309 nan 8.360 nan 0.000 0.466 201 L N 0.259 121.565 121.223 0.139 0.000 2.179 201 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 201 L C 2.465 179.468 176.870 0.220 0.000 1.096 201 L CA 0.693 55.649 54.840 0.193 0.000 0.779 201 L CB -0.223 42.054 42.059 0.363 0.000 0.922 201 L HN 0.117 nan 8.230 nan 0.000 0.443 202 A N -0.555 122.464 122.820 0.333 0.000 1.970 202 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 202 A C 1.129 178.796 177.584 0.138 0.000 1.170 202 A CA 0.596 52.854 52.037 0.368 0.000 0.645 202 A CB -0.109 19.123 19.000 0.387 0.000 0.816 202 A HN 0.339 nan 8.150 nan 0.000 0.447 206 T N -0.111 114.268 114.554 -0.292 0.000 2.945 206 T HA 0.832 5.182 4.350 -0.000 0.000 0.286 206 T C 1.398 175.956 174.700 -0.236 0.000 1.025 206 T CA -0.423 61.445 62.100 -0.387 0.000 1.039 206 T CB 1.498 69.960 68.868 -0.676 0.000 1.068 206 T HN 1.401 nan 8.240 nan 0.000 0.497 207 A N 1.506 124.198 122.820 -0.213 0.000 1.929 207 A HA 0.498 4.817 4.320 -0.000 0.000 0.216 207 A C 1.662 179.182 177.584 -0.106 0.000 1.176 207 A CA 0.748 52.703 52.037 -0.137 0.000 0.628 207 A CB -1.119 17.808 19.000 -0.122 0.000 0.816 207 A HN 1.358 nan 8.150 nan 0.000 0.444 208 A N 0.695 123.447 122.820 -0.112 0.000 2.454 208 A HA 0.461 4.781 4.320 -0.000 0.000 0.260 208 A C -0.862 176.708 177.584 -0.023 0.000 1.106 208 A CA -0.808 51.197 52.037 -0.053 0.000 0.780 208 A CB 0.125 19.105 19.000 -0.033 0.000 1.044 208 A HN 0.314 nan 8.150 nan 0.000 0.498 209 P HA -0.078 nan 4.420 nan 0.000 0.225 209 P C 0.100 177.413 177.300 0.023 0.000 1.156 209 P CA 1.194 64.295 63.100 0.002 0.000 0.787 209 P CB 0.144 31.850 31.700 0.009 0.000 0.802 210 D N -1.402 119.034 120.400 0.060 0.000 2.559 210 D HA 0.027 4.667 4.640 -0.000 0.000 0.234 210 D C 0.058 176.399 176.300 0.069 0.000 1.226 210 D CA -1.191 52.855 54.000 0.077 0.000 0.830 210 D CB -1.321 39.579 40.800 0.166 0.000 1.028 210 D HN 0.018 nan 8.370 nan 0.000 0.492 211 F N 2.310 122.160 119.950 -0.166 0.000 2.629 211 F HA 0.171 4.698 4.527 -0.000 0.000 0.377 211 F C 0.367 175.935 175.800 -0.387 0.000 1.101 211 F CA 0.314 58.133 58.000 -0.301 0.000 1.301 211 F CB 0.473 39.283 39.000 -0.315 0.000 1.062 211 F HN -0.194 nan 8.300 nan 0.000 0.583 212 R N 7.365 127.177 120.500 -1.147 0.000 2.628 212 R HA 0.470 4.810 4.340 -0.000 0.000 0.288 212 R C -1.135 174.437 176.300 -1.214 0.000 0.980 212 R CA -0.832 54.599 56.100 -1.115 0.000 0.891 212 R CB 1.847 31.372 30.300 -1.292 0.000 1.188 212 R HN 0.673 nan 8.270 nan 0.000 0.450 213 I N 2.613 122.696 120.570 -0.811 0.000 2.321 213 I HA 0.235 4.404 4.170 -0.000 0.000 0.291 213 I C 0.297 176.419 176.117 0.008 0.000 0.998 213 I CA -1.080 59.965 61.300 -0.426 0.000 1.227 213 I CB 1.946 39.788 38.000 -0.262 0.000 1.368 213 I HN 0.097 nan 8.210 nan 0.000 0.466 214 V N 6.588 126.603 119.914 0.168 0.000 2.387 214 V HA -0.006 4.114 4.120 -0.000 0.000 0.260 214 V C -0.019 176.397 176.094 0.537 0.000 1.054 214 V CA -0.213 62.368 62.300 0.469 0.000 0.967 214 V CB 0.423 32.510 31.823 0.440 0.000 1.036 214 V HN 0.718 nan 8.190 nan 0.000 0.481 215 W N 5.913 127.427 121.300 0.357 0.000 2.120 215 W HA 0.230 4.890 4.660 -0.000 0.000 0.371 215 W C 0.104 176.704 176.519 0.134 0.000 0.865 215 W CA -0.651 56.817 57.345 0.205 0.000 1.529 215 W CB 0.831 30.364 29.460 0.122 0.000 1.623 215 W HN 0.608 nan 8.180 nan 0.000 0.325 216 D N 3.502 123.993 120.400 0.151 0.000 2.508 216 D HA -0.069 4.571 4.640 -0.000 0.000 0.224 216 D C 0.299 176.554 176.300 -0.075 0.000 1.171 216 D CA 0.269 54.369 54.000 0.168 0.000 1.006 216 D CB -0.195 40.830 40.800 0.375 0.000 1.073 216 D HN 0.075 nan 8.370 nan 0.000 0.513 217 N N 2.100 120.731 118.700 -0.114 0.000 3.243 217 N HA 0.075 4.815 4.740 -0.000 0.000 0.310 217 N C 1.044 176.526 175.510 -0.047 0.000 1.313 217 N CA -0.073 52.877 53.050 -0.167 0.000 1.204 217 N CB 0.143 38.538 38.487 -0.154 0.000 1.483 217 N HN 0.410 nan 8.380 nan 0.000 0.553 218 A N 0.403 123.102 122.820 -0.202 0.000 1.978 218 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 218 A C 0.513 177.598 177.584 -0.831 0.000 1.170 218 A CA 1.326 53.047 52.037 -0.526 0.000 0.636 218 A CB -0.301 18.181 19.000 -0.863 0.000 0.810 218 A HN 0.511 nan 8.150 nan 0.000 0.448 219 Y N -1.654 118.537 120.300 -0.181 0.000 2.713 219 Y HA 0.516 5.066 4.550 -0.000 0.000 0.269 219 Y C 1.766 177.824 175.900 0.264 0.000 1.106 219 Y CA -0.489 57.508 58.100 -0.171 0.000 1.174 219 Y CB -0.361 38.119 38.460 0.032 0.000 1.186 219 Y HN 0.238 nan 8.280 nan 0.000 0.555 220 A N -0.138 122.861 122.820 0.297 0.000 2.178 220 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 220 A C 1.407 179.166 177.584 0.292 0.000 1.157 220 A CA 1.497 53.671 52.037 0.227 0.000 0.689 220 A CB -0.345 18.767 19.000 0.187 0.000 0.787 220 A HN 0.572 nan 8.150 nan 0.000 0.465 221 L N -2.338 119.187 121.223 0.503 0.000 3.217 221 L HA 0.202 4.541 4.340 -0.000 0.000 0.288 221 L C -0.060 177.095 176.870 0.474 0.000 1.202 221 L CA -0.348 54.741 54.840 0.415 0.000 1.027 221 L CB 0.167 42.257 42.059 0.052 0.000 1.427 221 L HN 0.230 nan 8.230 nan 0.000 0.600 222 H N 0.418 119.728 119.070 0.400 0.000 2.768 222 H HA 0.169 4.725 4.556 -0.000 0.000 0.228 222 H C 0.601 175.848 175.328 -0.136 0.000 1.812 222 H CA -0.042 56.136 56.048 0.218 0.000 1.273 222 H CB -0.298 29.685 29.762 0.367 0.000 1.631 222 H HN -0.109 nan 8.280 nan 0.000 0.526 223 T N 0.248 114.754 114.554 -0.080 0.000 2.899 223 T HA 0.139 4.489 4.350 -0.000 0.000 0.295 223 T C 1.387 175.833 174.700 -0.425 0.000 1.033 223 T CA -0.425 61.452 62.100 -0.372 0.000 1.084 223 T CB 0.536 69.200 68.868 -0.341 0.000 0.979 223 T HN 0.539 nan 8.240 nan 0.000 0.532 224 L N 2.834 123.753 121.223 -0.506 0.000 2.554 224 L HA 0.194 4.534 4.340 -0.000 0.000 0.225 224 L C 1.543 178.236 176.870 -0.296 0.000 1.104 224 L CA -0.110 54.473 54.840 -0.427 0.000 0.866 224 L CB -0.068 41.654 42.059 -0.561 0.000 1.047 224 L HN 0.658 nan 8.230 nan 0.000 0.468 225 S N -1.435 114.097 115.700 -0.280 0.000 2.618 225 S HA 0.163 4.633 4.470 -0.000 0.000 0.284 225 S C 0.625 175.074 174.600 -0.251 0.000 1.102 225 S CA -0.161 57.912 58.200 -0.212 0.000 0.984 225 S CB 0.549 63.654 63.200 -0.158 0.000 1.280 225 S HN 0.178 nan 8.310 nan 0.000 0.525 226 D N -0.618 119.662 120.400 -0.200 0.000 2.348 226 D HA 0.120 4.760 4.640 -0.000 0.000 0.211 226 D C 0.045 176.179 176.300 -0.276 0.000 0.998 226 D CA 0.383 54.257 54.000 -0.211 0.000 0.873 226 D CB -0.237 40.498 40.800 -0.108 0.000 0.925 226 D HN 0.430 nan 8.370 nan 0.000 0.524 227 E N 0.029 120.082 120.200 -0.246 0.000 2.175 227 E HA 0.273 4.623 4.350 -0.000 0.000 0.278 227 E C -0.793 175.670 176.600 -0.228 0.000 0.969 227 E CA -0.653 55.647 56.400 -0.166 0.000 0.796 227 E CB 1.284 30.957 29.700 -0.045 0.000 1.104 227 E HN 0.049 nan 8.360 nan 0.000 0.395 228 F N 3.847 123.813 119.950 0.026 0.000 2.396 228 F HA 0.260 4.787 4.527 -0.000 0.000 0.343 228 F C -1.254 174.565 175.800 0.031 0.000 1.104 228 F CA -1.701 56.326 58.000 0.045 0.000 1.161 228 F CB 0.328 39.323 39.000 -0.009 0.000 1.146 228 F HN 0.208 nan 8.300 nan 0.000 0.522 229 P HA 0.214 nan 4.420 nan 0.000 0.274 229 P C -0.446 176.837 177.300 -0.027 0.000 1.237 229 P CA -0.246 62.874 63.100 0.033 0.000 0.793 229 P CB 0.986 32.585 31.700 -0.168 0.000 0.977 230 I N 1.051 121.557 120.570 -0.107 0.000 2.517 230 I HA -0.011 4.159 4.170 -0.000 0.000 0.285 230 I C 0.410 176.328 176.117 -0.332 0.000 1.106 230 I CA -0.093 61.063 61.300 -0.239 0.000 1.402 230 I CB 0.519 38.310 38.000 -0.349 0.000 1.399 230 I HN 0.015 nan 8.210 nan 0.000 0.535 231 V N 7.490 127.270 119.914 -0.224 0.000 2.322 231 V HA 0.104 4.223 4.120 -0.000 0.000 0.258 231 V C 0.386 176.392 176.094 -0.146 0.000 1.074 231 V CA -0.623 61.615 62.300 -0.103 0.000 0.909 231 V CB -0.492 31.331 31.823 -0.001 0.000 1.090 231 V HN 0.516 nan 8.190 nan 0.000 0.486 232 H N 3.511 122.594 119.070 0.022 0.000 2.886 232 H HA 0.036 4.592 4.556 -0.000 0.000 0.329 232 H C 0.545 175.627 175.328 -0.410 0.000 1.044 232 H CA 0.086 56.033 56.048 -0.169 0.000 1.456 232 H CB 0.571 30.293 29.762 -0.068 0.000 1.464 232 H HN 0.526 nan 8.280 nan 0.000 0.573 233 N N 3.822 122.195 118.700 -0.545 0.000 2.807 233 N HA -0.022 4.718 4.740 -0.000 0.000 0.259 233 N C 1.151 176.117 175.510 -0.907 0.000 1.149 233 N CA -0.294 52.456 53.050 -0.500 0.000 1.042 233 N CB -0.102 38.210 38.487 -0.292 0.000 1.367 233 N HN 0.435 nan 8.380 nan 0.000 0.516 234 V N 1.398 120.749 119.914 -0.939 0.000 2.720 234 V HA -0.158 3.962 4.120 -0.000 0.000 0.256 234 V C 1.871 177.567 176.094 -0.663 0.000 1.082 234 V CA 1.204 62.812 62.300 -1.155 0.000 1.101 234 V CB -0.758 29.773 31.823 -2.154 0.000 0.693 234 V HN 0.461 nan 8.190 nan 0.000 0.479 235 I N 1.506 121.858 120.570 -0.364 0.000 2.226 235 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 235 I C 2.698 178.788 176.117 -0.045 0.000 1.100 235 I CA 2.268 63.502 61.300 -0.109 0.000 1.374 235 I CB -0.433 37.531 38.000 -0.059 0.000 1.057 235 I HN 0.502 nan 8.210 nan 0.000 0.413 236 E N 1.097 121.252 120.200 -0.076 0.000 2.158 236 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 236 E C 2.005 178.721 176.600 0.194 0.000 0.982 236 E CA 1.349 57.772 56.400 0.038 0.000 0.823 236 E CB -0.465 29.248 29.700 0.022 0.000 0.766 236 E HN 0.290 nan 8.360 nan 0.000 0.468 237 F N 1.400 121.300 119.950 -0.084 0.000 2.091 237 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 237 F C 2.470 178.262 175.800 -0.014 0.000 1.103 237 F CA 1.122 59.079 58.000 -0.071 0.000 1.228 237 F CB -1.447 37.465 39.000 -0.147 0.000 0.984 237 F HN 0.255 nan 8.300 nan 0.000 0.477 238 A N -0.642 122.313 122.820 0.225 0.000 1.929 238 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 238 A C 2.263 179.931 177.584 0.140 0.000 1.176 238 A CA 1.361 53.537 52.037 0.231 0.000 0.628 238 A CB -0.843 18.369 19.000 0.353 0.000 0.816 238 A HN 0.443 nan 8.150 nan 0.000 0.444 239 Q N -0.145 119.722 119.800 0.111 0.000 2.124 239 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 239 Q C 2.023 178.061 176.000 0.063 0.000 0.977 239 Q CA 1.670 57.520 55.803 0.077 0.000 0.850 239 Q CB -0.293 28.483 28.738 0.063 0.000 0.901 239 Q HN 0.554 nan 8.270 nan 0.000 0.429 240 A N 0.172 123.034 122.820 0.070 0.000 2.119 240 A HA 0.160 4.479 4.320 -0.000 0.000 0.216 240 A C 1.993 179.592 177.584 0.025 0.000 1.152 240 A CA 1.094 53.156 52.037 0.043 0.000 0.708 240 A CB -0.298 18.727 19.000 0.041 0.000 0.805 240 A HN 0.481 nan 8.150 nan 0.000 0.460 241 A N -1.902 120.942 122.820 0.039 0.000 2.238 241 A HA 0.431 4.751 4.320 -0.000 0.000 0.210 241 A C 1.732 179.326 177.584 0.017 0.000 1.179 241 A CA 1.143 53.191 52.037 0.020 0.000 0.827 241 A CB -0.596 18.424 19.000 0.033 0.000 0.856 241 A HN 1.737 nan 8.150 nan 0.000 0.488 242 G N -0.460 108.356 108.800 0.028 0.000 2.157 242 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.248 242 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.248 242 G C -0.055 174.858 174.900 0.022 0.000 0.979 242 G CA 0.191 45.302 45.100 0.019 0.000 0.650 242 G HN 0.446 nan 8.290 nan 0.000 0.529 243 N N 0.787 119.511 118.700 0.039 0.000 2.699 243 N HA 0.250 4.989 4.740 -0.000 0.000 0.317 243 N C -1.540 174.009 175.510 0.066 0.000 1.661 243 N CA -0.720 52.351 53.050 0.035 0.000 0.979 243 N CB 1.246 39.745 38.487 0.020 0.000 1.329 243 N HN 0.238 nan 8.380 nan 0.000 0.497 244 P HA -0.116 nan 4.420 nan 0.000 0.219 244 P C 0.287 177.649 177.300 0.103 0.000 1.146 244 P CA 1.299 64.452 63.100 0.088 0.000 0.808 244 P CB 0.240 31.982 31.700 0.070 0.000 0.779 245 N N -0.892 117.847 118.700 0.065 0.000 2.270 245 N HA 0.113 4.852 4.740 -0.000 0.000 0.198 245 N C 1.811 177.296 175.510 -0.042 0.000 1.117 245 N CA -0.316 52.765 53.050 0.052 0.000 0.845 245 N CB -0.140 38.368 38.487 0.035 0.000 0.980 245 N HN 0.040 nan 8.380 nan 0.000 0.486 246 R N 0.589 121.054 120.500 -0.059 0.000 2.096 246 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 246 R C -0.448 175.567 176.300 -0.475 0.000 1.127 246 R CA 1.057 56.981 56.100 -0.293 0.000 0.968 246 R CB 0.091 30.173 30.300 -0.362 0.000 0.861 246 R HN 0.038 nan 8.270 nan 0.000 0.440 247 F N -0.325 119.580 119.950 -0.076 0.000 2.420 247 F HA 0.261 4.788 4.527 -0.000 0.000 0.342 247 F C -0.430 175.513 175.800 0.238 0.000 1.113 247 F CA -0.981 57.032 58.000 0.022 0.000 1.059 247 F CB 1.092 40.081 39.000 -0.018 0.000 1.128 247 F HN -0.066 nan 8.300 nan 0.000 0.475 248 W N 5.792 127.382 121.300 0.484 0.000 2.282 248 W HA 0.327 4.987 4.660 -0.000 0.000 0.322 248 W C -0.460 176.458 176.519 0.665 0.000 1.011 248 W CA -1.605 56.109 57.345 0.615 0.000 1.392 248 W CB 0.457 30.242 29.460 0.542 0.000 1.215 248 W HN 0.417 nan 8.180 nan 0.000 0.394 252 S N -0.765 115.146 115.700 0.352 0.000 2.595 252 S HA 0.615 5.085 4.470 -0.000 0.000 0.270 252 S C 0.218 174.938 174.600 0.200 0.000 1.145 252 S CA -0.015 58.277 58.200 0.153 0.000 0.825 252 S CB 0.828 64.040 63.200 0.019 0.000 1.107 252 S HN 2.036 nan 8.310 nan 0.000 0.461 253 T N -0.982 113.621 114.554 0.080 0.000 3.219 253 T HA 0.215 4.565 4.350 -0.000 0.000 0.249 253 T C 1.475 176.310 174.700 0.226 0.000 1.099 253 T CA 0.792 63.050 62.100 0.262 0.000 0.988 253 T CB -0.497 68.570 68.868 0.331 0.000 0.999 253 T HN 0.461 nan 8.240 nan 0.000 0.550 254 S N 2.000 117.771 115.700 0.117 0.000 2.374 254 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 254 S C 1.613 176.256 174.600 0.072 0.000 1.037 254 S CA 1.345 59.586 58.200 0.067 0.000 1.024 254 S CB -0.159 63.035 63.200 -0.009 0.000 0.861 254 S HN 0.623 nan 8.310 nan 0.000 0.456 255 K N -0.050 120.395 120.400 0.074 0.000 2.410 255 K HA 0.377 4.697 4.320 -0.000 0.000 0.200 255 K C 1.012 177.630 176.600 0.029 0.000 1.023 255 K CA 0.019 56.328 56.287 0.037 0.000 1.149 255 K CB 0.308 32.732 32.500 -0.128 0.000 0.859 255 K HN 0.344 nan 8.250 nan 0.000 0.514 256 I N -0.534 120.132 120.570 0.160 0.000 3.136 256 I HA -0.064 4.105 4.170 -0.000 0.000 0.262 256 I C 1.821 178.221 176.117 0.472 0.000 1.132 256 I CA 0.711 62.157 61.300 0.243 0.000 1.450 256 I CB 0.157 38.431 38.000 0.456 0.000 1.315 256 I HN 0.166 nan 8.210 nan 0.000 0.460 257 T N -2.142 112.615 114.554 0.338 0.000 2.589 257 T HA 0.236 4.586 4.350 -0.000 0.000 0.178 257 T C 0.344 174.973 174.700 -0.118 0.000 0.708 257 T CA -0.070 62.060 62.100 0.049 0.000 1.734 257 T CB -0.063 68.760 68.868 -0.075 0.000 2.792 257 T HN -0.023 nan 8.240 nan 0.000 0.406 258 H N 1.581 120.745 119.070 0.157 0.000 2.638 258 H HA 0.695 5.251 4.556 -0.000 0.000 0.303 258 H C -0.225 175.153 175.328 0.084 0.000 1.034 258 H CA -0.827 55.279 56.048 0.095 0.000 1.225 258 H CB 0.642 30.429 29.762 0.042 0.000 1.394 258 H HN 0.809 nan 8.280 nan 0.000 0.477 259 A N 2.059 124.986 122.820 0.177 0.000 2.537 259 A HA 0.374 4.694 4.320 -0.000 0.000 0.260 259 A C 1.502 179.133 177.584 0.078 0.000 1.082 259 A CA 0.969 53.066 52.037 0.100 0.000 0.765 259 A CB -0.615 18.431 19.000 0.075 0.000 1.019 259 A HN 1.048 nan 8.150 nan 0.000 0.507 260 G N 1.580 110.410 108.800 0.049 0.000 2.234 260 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.235 260 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.235 260 G C 0.656 175.568 174.900 0.020 0.000 0.997 260 G CA 0.456 45.569 45.100 0.021 0.000 0.623 260 G HN 1.379 nan 8.290 nan 0.000 0.514 261 S N 0.630 116.368 115.700 0.063 0.000 2.754 261 S HA 0.578 5.048 4.470 -0.000 0.000 0.247 261 S C 1.121 175.786 174.600 0.109 0.000 1.031 261 S CA 0.475 58.717 58.200 0.068 0.000 1.014 261 S CB 0.898 64.136 63.200 0.064 0.000 0.918 261 S HN 1.080 nan 8.310 nan 0.000 0.519 262 G N 1.037 109.864 108.800 0.045 0.000 2.630 262 G HA2 0.630 4.590 3.960 -0.000 0.000 0.223 262 G HA3 0.630 4.590 3.960 -0.000 0.000 0.223 262 G C -0.804 173.896 174.900 -0.334 0.000 1.434 262 G CA -0.457 44.614 45.100 -0.048 0.000 1.057 262 G HN 0.246 nan 8.290 nan 0.000 0.570 263 V N 0.172 119.805 119.914 -0.469 0.000 2.709 263 V HA 0.559 4.679 4.120 -0.000 0.000 0.308 263 V C -0.086 175.599 176.094 -0.681 0.000 1.062 263 V CA -0.692 61.240 62.300 -0.613 0.000 0.901 263 V CB 1.633 32.993 31.823 -0.771 0.000 1.003 263 V HN 1.003 nan 8.190 nan 0.000 0.425 264 S N 3.391 118.680 115.700 -0.684 0.000 2.593 264 S HA 0.886 5.355 4.470 -0.000 0.000 0.297 264 S C -1.098 173.023 174.600 -0.799 0.000 1.112 264 S CA -0.564 57.323 58.200 -0.521 0.000 1.043 264 S CB 1.548 64.615 63.200 -0.222 0.000 1.054 264 S HN 0.354 nan 8.310 nan 0.000 0.516 265 F N 1.090 120.987 119.950 -0.089 0.000 2.556 265 F HA 0.636 5.163 4.527 -0.000 0.000 0.314 265 F C -0.775 175.131 175.800 0.177 0.000 1.106 265 F CA -1.036 56.951 58.000 -0.023 0.000 0.911 265 F CB 1.905 40.827 39.000 -0.129 0.000 1.190 265 F HN 0.699 nan 8.300 nan 0.000 0.448 266 F N 3.041 123.077 119.950 0.144 0.000 2.499 266 F HA 0.839 5.366 4.527 -0.000 0.000 0.333 266 F C -1.041 174.828 175.800 0.115 0.000 1.138 266 F CA -1.090 56.964 58.000 0.089 0.000 0.945 266 F CB 0.807 39.706 39.000 -0.170 0.000 1.181 266 F HN 0.555 nan 8.300 nan 0.000 0.435 267 A N 4.234 126.893 122.820 -0.269 0.000 2.350 267 A HA 0.880 5.200 4.320 -0.000 0.000 0.324 267 A C -0.682 176.630 177.584 -0.453 0.000 1.118 267 A CA -0.190 51.602 52.037 -0.410 0.000 0.783 267 A CB 1.676 20.468 19.000 -0.346 0.000 1.236 267 A HN 0.907 nan 8.150 nan 0.000 0.457 268 S N -0.467 114.999 115.700 -0.390 0.000 2.714 268 S HA 0.636 5.106 4.470 -0.000 0.000 0.280 268 S C -0.144 174.449 174.600 -0.012 0.000 1.200 268 S CA 0.165 58.315 58.200 -0.083 0.000 0.900 268 S CB 0.448 63.675 63.200 0.045 0.000 1.235 268 S HN 1.838 nan 8.310 nan 0.000 0.512 269 S N 1.086 116.848 115.700 0.103 0.000 2.614 269 S HA 0.380 4.850 4.470 -0.000 0.000 0.265 269 S C 1.002 175.667 174.600 0.108 0.000 1.303 269 S CA -0.219 58.036 58.200 0.092 0.000 1.000 269 S CB 0.775 64.046 63.200 0.118 0.000 0.935 269 S HN 0.824 nan 8.310 nan 0.000 0.551 270 K N 0.729 121.183 120.400 0.090 0.000 2.103 270 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 270 K C 1.983 178.678 176.600 0.159 0.000 1.048 270 K CA 1.768 58.117 56.287 0.104 0.000 0.930 270 K CB -0.235 32.312 32.500 0.078 0.000 0.716 270 K HN 0.779 nan 8.250 nan 0.000 0.444 271 E N 0.068 120.366 120.200 0.163 0.000 2.051 271 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 271 E C 1.862 178.651 176.600 0.314 0.000 0.991 271 E CA 1.242 57.761 56.400 0.198 0.000 0.799 271 E CB -0.028 29.762 29.700 0.151 0.000 0.748 271 E HN 0.323 nan 8.360 nan 0.000 0.449 272 N N 0.684 119.595 118.700 0.352 0.000 2.120 272 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 272 N C 1.827 177.756 175.510 0.699 0.000 1.024 272 N CA 0.881 54.276 53.050 0.574 0.000 0.852 272 N CB -0.177 38.683 38.487 0.621 0.000 1.003 272 N HN 0.161 nan 8.380 nan 0.000 0.424 273 I N 1.099 121.946 120.570 0.462 0.000 2.226 273 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 273 I C 1.865 178.241 176.117 0.433 0.000 1.100 273 I CA 1.136 62.705 61.300 0.449 0.000 1.374 273 I CB -0.171 37.953 38.000 0.207 0.000 1.057 273 I HN 0.176 nan 8.210 nan 0.000 0.413 274 E N -0.242 120.153 120.200 0.325 0.000 2.150 274 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 274 E C 1.820 178.562 176.600 0.236 0.000 0.985 274 E CA 1.309 57.847 56.400 0.230 0.000 0.814 274 E CB -0.187 29.612 29.700 0.165 0.000 0.752 274 E HN 0.560 nan 8.360 nan 0.000 0.466 275 W N 0.793 122.205 121.300 0.187 0.000 2.354 275 W HA -0.291 4.369 4.660 -0.000 0.000 0.315 275 W C 2.071 178.721 176.519 0.220 0.000 1.206 275 W CA 1.685 59.127 57.345 0.162 0.000 1.290 275 W CB -0.745 28.868 29.460 0.255 0.000 1.152 275 W HN 0.089 nan 8.180 nan 0.000 0.489 276 Y N 1.469 121.878 120.300 0.181 0.000 2.096 276 Y HA -0.371 4.179 4.550 -0.000 0.000 0.278 276 Y C 2.362 178.213 175.900 -0.081 0.000 1.192 276 Y CA 3.262 61.354 58.100 -0.013 0.000 1.143 276 Y CB -1.082 37.553 38.460 0.292 0.000 0.963 276 Y HN 0.047 nan 8.280 nan 0.000 0.505 277 A N -0.799 122.056 122.820 0.058 0.000 2.014 277 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 277 A C 2.398 179.804 177.584 -0.297 0.000 1.163 277 A CA 1.634 53.637 52.037 -0.056 0.000 0.652 277 A CB -1.169 17.888 19.000 0.094 0.000 0.808 277 A HN 0.609 nan 8.150 nan 0.000 0.449 278 S N -0.622 114.827 115.700 -0.419 0.000 2.402 278 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 278 S C 1.664 175.765 174.600 -0.830 0.000 1.021 278 S CA 1.462 59.321 58.200 -0.569 0.000 0.974 278 S CB -0.715 62.127 63.200 -0.597 0.000 0.800 278 S HN 0.756 nan 8.310 nan 0.000 0.484 279 H N 1.386 119.925 119.070 -0.885 0.000 2.370 279 H HA 0.434 4.990 4.556 -0.000 0.000 0.304 279 H C 2.612 177.235 175.328 -1.176 0.000 1.055 279 H CA 0.735 55.999 56.048 -1.307 0.000 1.373 279 H CB -0.372 28.169 29.762 -2.035 0.000 1.423 279 H HN 0.520 nan 8.280 nan 0.000 0.533 280 A N 1.220 123.504 122.820 -0.894 0.000 2.024 280 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 280 A C 2.050 179.452 177.584 -0.303 0.000 1.164 280 A CA 2.038 53.791 52.037 -0.474 0.000 0.643 280 A CB -0.600 18.103 19.000 -0.495 0.000 0.806 280 A HN 0.462 nan 8.150 nan 0.000 0.451 281 N N -0.537 117.968 118.700 -0.326 0.000 2.459 281 N HA -0.067 4.673 4.740 -0.000 0.000 0.181 281 N C 1.186 176.557 175.510 -0.232 0.000 1.046 281 N CA 1.455 54.368 53.050 -0.227 0.000 0.904 281 N CB -0.090 38.269 38.487 -0.213 0.000 0.964 281 N HN 0.185 nan 8.380 nan 0.000 0.444 282 V N -0.146 119.583 119.914 -0.307 0.000 2.500 282 V HA 0.069 4.189 4.120 -0.000 0.000 0.243 282 V C 2.331 178.309 176.094 -0.194 0.000 1.039 282 V CA 0.941 63.083 62.300 -0.264 0.000 1.053 282 V CB -0.450 31.166 31.823 -0.344 0.000 0.695 282 V HN 0.268 nan 8.190 nan 0.000 0.463 283 R N 0.168 120.542 120.500 -0.210 0.000 2.152 283 R HA 0.091 4.431 4.340 -0.000 0.000 0.232 283 R C 0.892 177.162 176.300 -0.051 0.000 1.117 283 R CA 1.358 57.404 56.100 -0.090 0.000 0.981 283 R CB 0.013 30.305 30.300 -0.014 0.000 0.870 283 R HN 0.587 nan 8.270 nan 0.000 0.451 284 G N -2.009 106.745 108.800 -0.077 0.000 2.325 284 G HA2 0.112 4.072 3.960 -0.000 0.000 0.295 284 G HA3 0.112 4.072 3.960 -0.000 0.000 0.295 284 G C -0.111 174.748 174.900 -0.067 0.000 1.274 284 G CA -0.547 44.519 45.100 -0.057 0.000 0.857 284 G HN 0.009 nan 8.290 nan 0.000 0.499 285 I N 0.681 121.220 120.570 -0.052 0.000 2.731 285 I HA 0.448 4.618 4.170 -0.000 0.000 0.260 285 I C 1.373 177.495 176.117 0.008 0.000 1.138 285 I CA 1.209 62.473 61.300 -0.059 0.000 1.461 285 I CB 0.372 38.295 38.000 -0.130 0.000 1.128 285 I HN 0.952 nan 8.210 nan 0.000 0.438 286 G N 0.554 109.381 108.800 0.044 0.000 2.313 286 G HA2 0.305 4.265 3.960 -0.000 0.000 0.296 286 G HA3 0.305 4.265 3.960 -0.000 0.000 0.296 286 G C -2.985 171.953 174.900 0.063 0.000 1.356 286 G CA -0.669 44.467 45.100 0.061 0.000 0.833 286 G HN -0.195 nan 8.290 nan 0.000 0.552 287 P HA 0.310 nan 4.420 nan 0.000 0.297 287 P C -0.649 176.661 177.300 0.016 0.000 1.307 287 P CA -0.765 62.351 63.100 0.026 0.000 0.773 287 P CB 0.791 32.493 31.700 0.004 0.000 1.265 288 N N 0.630 119.325 118.700 -0.009 0.000 2.434 288 N HA -0.016 4.724 4.740 -0.000 0.000 0.273 288 N C 0.806 176.308 175.510 -0.012 0.000 1.210 288 N CA 0.284 53.326 53.050 -0.013 0.000 0.992 288 N CB -0.169 38.302 38.487 -0.026 0.000 1.355 288 N HN 0.230 nan 8.380 nan 0.000 0.495 289 K N 2.404 122.808 120.400 0.007 0.000 2.211 289 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 289 K C 1.530 178.150 176.600 0.035 0.000 1.050 289 K CA 0.813 57.114 56.287 0.023 0.000 0.945 289 K CB 0.267 32.789 32.500 0.036 0.000 0.732 289 K HN 0.473 nan 8.250 nan 0.000 0.451 290 L N 0.819 122.059 121.223 0.028 0.000 2.156 290 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 290 L C 2.172 179.077 176.870 0.057 0.000 1.095 290 L CA 0.728 55.595 54.840 0.045 0.000 0.770 290 L CB -0.338 41.736 42.059 0.025 0.000 0.914 290 L HN 0.184 nan 8.230 nan 0.000 0.439 291 N N 0.010 118.737 118.700 0.046 0.000 2.142 291 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 291 N C 1.878 177.468 175.510 0.133 0.000 1.023 291 N CA 1.299 54.403 53.050 0.090 0.000 0.852 291 N CB 0.058 38.566 38.487 0.035 0.000 0.998 291 N HN 0.283 nan 8.380 nan 0.000 0.424 292 Q N -0.403 119.414 119.800 0.028 0.000 2.061 292 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 292 Q C 1.947 178.013 176.000 0.110 0.000 0.984 292 Q CA 1.272 57.093 55.803 0.031 0.000 0.846 292 Q CB -0.235 28.504 28.738 0.003 0.000 0.902 292 Q HN 0.324 nan 8.270 nan 0.000 0.421 293 L N 0.652 121.933 121.223 0.095 0.000 2.017 293 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 293 L C 2.200 179.122 176.870 0.087 0.000 1.073 293 L CA 2.092 56.989 54.840 0.095 0.000 0.745 293 L CB -0.755 41.357 42.059 0.087 0.000 0.894 293 L HN 0.146 nan 8.230 nan 0.000 0.432 294 A N -1.372 121.498 122.820 0.083 0.000 1.908 294 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 294 A C 2.124 179.680 177.584 -0.046 0.000 1.181 294 A CA 2.052 54.103 52.037 0.023 0.000 0.627 294 A CB -1.070 17.931 19.000 0.002 0.000 0.818 294 A HN 0.666 nan 8.150 nan 0.000 0.445 295 H N -0.562 118.446 119.070 -0.104 0.000 2.387 295 H HA 0.095 4.651 4.556 -0.000 0.000 0.299 295 H C 2.389 177.582 175.328 -0.225 0.000 1.090 295 H CA 1.579 57.466 56.048 -0.268 0.000 1.332 295 H CB -0.137 29.524 29.762 -0.167 0.000 1.386 295 H HN 0.521 nan 8.280 nan 0.000 0.516 296 A N 0.407 123.303 122.820 0.127 0.000 1.929 296 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 296 A C 2.119 179.771 177.584 0.114 0.000 1.176 296 A CA 1.263 53.412 52.037 0.186 0.000 0.628 296 A CB -0.229 18.880 19.000 0.182 0.000 0.816 296 A HN 0.443 nan 8.150 nan 0.000 0.444 297 Q N -1.670 118.168 119.800 0.064 0.000 2.079 297 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 297 Q C 1.913 177.931 176.000 0.029 0.000 0.974 297 Q CA 1.491 57.320 55.803 0.044 0.000 0.840 297 Q CB -0.287 28.474 28.738 0.038 0.000 0.898 297 Q HN 0.765 nan 8.270 nan 0.000 0.430 298 F N 0.464 120.302 119.950 -0.185 0.000 2.046 298 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 298 F C 1.728 177.455 175.800 -0.122 0.000 1.123 298 F CA 1.593 59.440 58.000 -0.255 0.000 1.199 298 F CB -0.175 38.514 39.000 -0.517 0.000 0.972 298 F HN -0.022 nan 8.300 nan 0.000 0.474 299 F N -0.039 119.857 119.950 -0.090 0.000 2.146 299 F HA 0.030 4.557 4.527 -0.000 0.000 0.298 299 F C 2.409 178.133 175.800 -0.126 0.000 1.096 299 F CA 0.612 58.514 58.000 -0.164 0.000 1.275 299 F CB -0.931 38.105 39.000 0.060 0.000 1.008 299 F HN 0.316 nan 8.300 nan 0.000 0.480 300 G N 0.354 109.229 108.800 0.125 0.000 3.548 300 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.224 300 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.224 300 G C -0.187 174.760 174.900 0.077 0.000 1.351 300 G CA 0.830 45.967 45.100 0.062 0.000 0.905 300 G HN 0.502 nan 8.290 nan 0.000 0.561 301 D N -1.949 118.491 120.400 0.068 0.000 2.677 301 D HA 0.553 5.193 4.640 -0.000 0.000 0.298 301 D C 0.924 177.216 176.300 -0.014 0.000 1.250 301 D CA 0.259 54.277 54.000 0.030 0.000 0.888 301 D CB 0.981 41.780 40.800 -0.003 0.000 1.397 301 D HN 0.899 nan 8.370 nan 0.000 0.461 302 V N 0.553 120.424 119.914 -0.071 0.000 2.332 302 V HA -0.153 3.967 4.120 -0.000 0.000 0.248 302 V C 2.206 178.196 176.094 -0.173 0.000 1.055 302 V CA 3.127 65.329 62.300 -0.165 0.000 1.038 302 V CB -0.970 30.730 31.823 -0.205 0.000 0.651 302 V HN 0.744 nan 8.190 nan 0.000 0.450 303 A N 0.260 123.012 122.820 -0.114 0.000 1.892 303 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 303 A C 2.432 179.975 177.584 -0.068 0.000 1.188 303 A CA 2.258 54.242 52.037 -0.088 0.000 0.631 303 A CB -1.657 17.311 19.000 -0.054 0.000 0.822 303 A HN 0.739 nan 8.150 nan 0.000 0.447 304 G N -0.161 108.607 108.800 -0.053 0.000 2.446 304 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.217 304 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.217 304 G C 1.503 176.380 174.900 -0.037 0.000 1.168 304 G CA 1.363 46.439 45.100 -0.039 0.000 0.771 304 G HN 0.602 nan 8.290 nan 0.000 0.551 305 L N 0.640 121.786 121.223 -0.128 0.000 2.012 305 L HA 0.033 4.372 4.340 -0.000 0.000 0.210 305 L C 2.653 179.418 176.870 -0.175 0.000 1.073 305 L CA 2.241 56.884 54.840 -0.328 0.000 0.748 305 L CB -0.692 41.001 42.059 -0.611 0.000 0.891 305 L HN 0.170 nan 8.230 nan 0.000 0.431 306 K N -0.496 119.780 120.400 -0.207 0.000 2.097 306 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 306 K C 2.102 178.792 176.600 0.151 0.000 1.049 306 K CA 1.266 57.469 56.287 -0.139 0.000 0.933 306 K CB -0.389 31.902 32.500 -0.348 0.000 0.717 306 K HN 0.529 nan 8.250 nan 0.000 0.442 307 A N 0.991 123.859 122.820 0.079 0.000 1.902 307 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 307 A C 1.169 178.835 177.584 0.137 0.000 1.181 307 A CA 1.050 53.145 52.037 0.096 0.000 0.623 307 A CB -0.638 18.393 19.000 0.051 0.000 0.818 307 A HN 0.331 nan 8.150 nan 0.000 0.443 311 K N -0.554 119.812 120.400 -0.057 0.000 2.103 311 K HA -0.003 4.317 4.320 -0.000 0.000 0.204 311 K C 1.736 178.232 176.600 -0.174 0.000 1.052 311 K CA 1.166 57.377 56.287 -0.126 0.000 0.945 311 K CB -0.080 32.321 32.500 -0.166 0.000 0.722 311 K HN 0.360 nan 8.250 nan 0.000 0.443 312 H N 0.602 119.595 119.070 -0.129 0.000 2.321 312 H HA -0.060 4.495 4.556 -0.000 0.000 0.300 312 H C 2.191 177.461 175.328 -0.097 0.000 1.087 312 H CA 1.607 57.598 56.048 -0.095 0.000 1.319 312 H CB -0.124 29.598 29.762 -0.067 0.000 1.379 312 H HN 0.244 nan 8.280 nan 0.000 0.501 313 A N 1.219 124.036 122.820 -0.004 0.000 1.917 313 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 313 A C 2.694 180.228 177.584 -0.083 0.000 1.182 313 A CA 2.049 54.029 52.037 -0.095 0.000 0.633 313 A CB -0.873 18.037 19.000 -0.150 0.000 0.819 313 A HN 0.462 nan 8.150 nan 0.000 0.448 314 A N -1.049 121.730 122.820 -0.070 0.000 2.015 314 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 314 A C 2.435 179.991 177.584 -0.048 0.000 1.163 314 A CA 2.083 54.084 52.037 -0.060 0.000 0.646 314 A CB -0.677 18.289 19.000 -0.056 0.000 0.806 314 A HN 0.641 nan 8.150 nan 0.000 0.448 315 S N -1.193 114.479 115.700 -0.047 0.000 2.388 315 S HA -0.019 4.451 4.470 -0.000 0.000 0.223 315 S C 1.819 176.409 174.600 -0.017 0.000 1.034 315 S CA 1.072 59.253 58.200 -0.031 0.000 0.963 315 S CB -0.279 62.902 63.200 -0.032 0.000 0.827 315 S HN 0.259 nan 8.310 nan 0.000 0.481 316 L N 1.966 123.180 121.223 -0.016 0.000 2.068 316 L HA 0.342 4.682 4.340 -0.000 0.000 0.204 316 L C 2.890 179.807 176.870 0.079 0.000 1.076 316 L CA 1.709 56.556 54.840 0.011 0.000 0.753 316 L CB -1.695 40.324 42.059 -0.067 0.000 0.910 316 L HN 0.391 nan 8.230 nan 0.000 0.439 317 A N 0.308 123.119 122.820 -0.016 0.000 1.917 317 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 317 A C -0.117 177.489 177.584 0.036 0.000 1.182 317 A CA 1.970 53.995 52.037 -0.019 0.000 0.633 317 A CB -1.950 16.998 19.000 -0.086 0.000 0.819 317 A HN 0.366 nan 8.150 nan 0.000 0.448 318 P HA -0.096 nan 4.420 nan 0.000 0.221 318 P C 1.118 178.417 177.300 -0.001 0.000 1.150 318 P CA 1.178 64.280 63.100 0.003 0.000 0.800 318 P CB -0.025 31.667 31.700 -0.014 0.000 0.787 319 K N -1.467 118.933 120.400 -0.001 0.000 2.097 319 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 319 K C 1.831 178.337 176.600 -0.155 0.000 1.050 319 K CA 1.277 57.506 56.287 -0.096 0.000 0.938 319 K CB -0.499 31.910 32.500 -0.150 0.000 0.718 319 K HN 0.150 nan 8.250 nan 0.000 0.442 320 F N 1.534 121.401 119.950 -0.139 0.000 2.149 320 F HA -0.083 4.444 4.527 -0.000 0.000 0.294 320 F C 2.492 178.237 175.800 -0.091 0.000 1.095 320 F CA 0.978 58.900 58.000 -0.130 0.000 1.276 320 F CB -0.445 38.467 39.000 -0.148 0.000 1.023 320 F HN 0.093 nan 8.300 nan 0.000 0.480 321 E N 0.345 120.614 120.200 0.115 0.000 2.068 321 E HA -0.363 3.987 4.350 -0.000 0.000 0.207 321 E C 2.399 179.007 176.600 0.014 0.000 1.032 321 E CA 1.893 58.324 56.400 0.051 0.000 0.839 321 E CB -0.101 29.614 29.700 0.025 0.000 0.758 321 E HN 0.051 nan 8.360 nan 0.000 0.457 322 R N -0.078 120.411 120.500 -0.019 0.000 2.096 322 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 322 R C 2.218 178.465 176.300 -0.088 0.000 1.127 322 R CA 1.167 57.238 56.100 -0.049 0.000 0.968 322 R CB -0.457 29.809 30.300 -0.057 0.000 0.861 322 R HN 0.125 nan 8.270 nan 0.000 0.440 323 V N 0.494 120.328 119.914 -0.134 0.000 2.270 323 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 323 V C 2.307 178.280 176.094 -0.201 0.000 1.043 323 V CA 1.874 64.051 62.300 -0.206 0.000 1.014 323 V CB -0.498 31.142 31.823 -0.305 0.000 0.645 323 V HN 0.297 nan 8.190 nan 0.000 0.447 324 L N -0.344 120.816 121.223 -0.104 0.000 2.013 324 L HA -0.273 4.066 4.340 -0.000 0.000 0.212 324 L C 2.618 179.487 176.870 -0.001 0.000 1.073 324 L CA 1.985 56.811 54.840 -0.023 0.000 0.753 324 L CB -0.727 41.415 42.059 0.138 0.000 0.890 324 L HN 0.438 nan 8.230 nan 0.000 0.432 325 E N 0.252 120.455 120.200 0.004 0.000 2.038 325 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 325 E C 2.269 178.858 176.600 -0.018 0.000 1.000 325 E CA 1.448 57.858 56.400 0.017 0.000 0.803 325 E CB -0.138 29.566 29.700 0.008 0.000 0.750 325 E HN 0.458 nan 8.360 nan 0.000 0.448 326 I N 0.657 121.184 120.570 -0.072 0.000 2.286 326 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 326 I C 2.162 178.198 176.117 -0.135 0.000 1.115 326 I CA 0.472 61.721 61.300 -0.085 0.000 1.392 326 I CB -0.088 37.856 38.000 -0.093 0.000 1.065 326 I HN 0.144 nan 8.210 nan 0.000 0.418 327 L N 0.181 121.235 121.223 -0.281 0.000 2.042 327 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 327 L C 2.191 178.890 176.870 -0.285 0.000 1.076 327 L CA 1.862 56.350 54.840 -0.588 0.000 0.749 327 L CB -1.088 40.117 42.059 -1.423 0.000 0.893 327 L HN 0.296 nan 8.230 nan 0.000 0.432 328 D N -1.141 119.287 120.400 0.046 0.000 2.077 328 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 328 D C 2.078 178.486 176.300 0.179 0.000 0.986 328 D CA 1.474 55.657 54.000 0.305 0.000 0.829 328 D CB 0.407 41.379 40.800 0.287 0.000 0.983 328 D HN 0.226 nan 8.370 nan 0.000 0.453 329 S N 0.331 116.085 115.700 0.090 0.000 2.393 329 S HA -0.211 4.258 4.470 -0.000 0.000 0.235 329 S C 1.946 176.567 174.600 0.035 0.000 1.061 329 S CA 1.252 59.488 58.200 0.059 0.000 1.129 329 S CB -0.145 63.066 63.200 0.019 0.000 1.011 329 S HN 0.264 nan 8.310 nan 0.000 0.436 330 R N -0.574 119.915 120.500 -0.018 0.000 2.308 330 R HA 0.269 4.609 4.340 -0.000 0.000 0.202 330 R C 1.027 177.240 176.300 -0.146 0.000 0.898 330 R CA 0.223 56.261 56.100 -0.102 0.000 1.046 330 R CB 0.104 30.342 30.300 -0.102 0.000 1.026 330 R HN 0.282 nan 8.270 nan 0.000 0.512 331 L N -1.126 120.108 121.223 0.019 0.000 2.547 331 L HA 0.212 4.551 4.340 -0.000 0.000 0.218 331 L C 2.020 179.119 176.870 0.382 0.000 1.048 331 L CA 0.913 55.837 54.840 0.140 0.000 0.859 331 L CB -0.709 41.470 42.059 0.200 0.000 1.128 331 L HN -0.101 nan 8.230 nan 0.000 0.483 332 S N 0.311 116.292 115.700 0.468 0.000 2.422 332 S HA -0.314 4.156 4.470 -0.000 0.000 0.248 332 S C 1.645 176.431 174.600 0.311 0.000 1.069 332 S CA 2.341 60.801 58.200 0.435 0.000 1.214 332 S CB -0.069 63.339 63.200 0.346 0.000 1.122 332 S HN 0.446 nan 8.310 nan 0.000 0.432 333 E N -0.932 119.466 120.200 0.330 0.000 2.479 333 E HA 0.165 4.515 4.350 -0.000 0.000 0.193 333 E C 0.903 177.479 176.600 -0.040 0.000 1.049 333 E CA 0.063 56.511 56.400 0.079 0.000 0.870 333 E CB 0.081 29.752 29.700 -0.049 0.000 0.944 333 E HN 0.669 nan 8.360 nan 0.000 0.492 334 Y N -1.097 119.246 120.300 0.071 0.000 2.500 334 Y HA 0.236 4.786 4.550 -0.000 0.000 0.270 334 Y C 1.916 177.851 175.900 0.058 0.000 1.134 334 Y CA 0.358 58.492 58.100 0.057 0.000 1.293 334 Y CB 0.122 38.617 38.460 0.059 0.000 1.063 334 Y HN 0.082 nan 8.280 nan 0.000 0.534 335 G N 0.472 109.402 108.800 0.218 0.000 2.180 335 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.263 335 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.263 335 G C 1.165 176.144 174.900 0.131 0.000 0.989 335 G CA 0.805 45.985 45.100 0.132 0.000 0.692 335 G HN 0.577 nan 8.290 nan 0.000 0.526 336 V N -3.496 116.517 119.914 0.164 0.000 3.305 336 V HA 0.635 4.755 4.120 -0.000 0.000 0.269 336 V C 1.019 177.202 176.094 0.150 0.000 1.157 336 V CA 1.497 63.872 62.300 0.126 0.000 1.157 336 V CB -0.358 31.523 31.823 0.097 0.000 0.772 336 V HN 2.027 nan 8.190 nan 0.000 0.498 337 A N 0.017 122.970 122.820 0.223 0.000 2.574 337 A HA 0.720 5.039 4.320 -0.000 0.000 0.297 337 A C -0.737 177.029 177.584 0.303 0.000 1.062 337 A CA -0.708 51.508 52.037 0.299 0.000 0.686 337 A CB 1.743 20.978 19.000 0.392 0.000 1.285 337 A HN 0.419 nan 8.150 nan 0.000 0.403 338 K N 0.660 121.193 120.400 0.222 0.000 2.221 338 K HA 0.799 5.119 4.320 -0.000 0.000 0.243 338 K C -1.289 175.461 176.600 0.250 0.000 0.968 338 K CA -0.525 55.753 56.287 -0.014 0.000 0.846 338 K CB 1.481 33.955 32.500 -0.044 0.000 1.141 338 K HN 1.081 nan 8.250 nan 0.000 0.434 339 W N -0.091 121.265 121.300 0.093 0.000 3.137 339 W HA 0.332 4.991 4.660 -0.000 0.000 0.324 339 W C -0.960 175.607 176.519 0.080 0.000 1.253 339 W CA -0.955 56.444 57.345 0.090 0.000 1.183 339 W CB -0.101 29.410 29.460 0.085 0.000 1.424 339 W HN 0.678 nan 8.180 nan 0.000 0.566 340 T N -0.189 114.543 114.554 0.296 0.000 2.856 340 T HA 0.450 4.800 4.350 -0.000 0.000 0.306 340 T C 0.233 175.117 174.700 0.307 0.000 1.062 340 T CA 0.180 62.408 62.100 0.214 0.000 1.083 340 T CB 0.902 69.885 68.868 0.190 0.000 0.984 340 T HN 1.102 nan 8.240 nan 0.000 0.542 341 S N 0.866 116.684 115.700 0.198 0.000 2.389 341 S HA 0.520 4.990 4.470 -0.000 0.000 0.201 341 S C -2.972 171.695 174.600 0.112 0.000 1.422 341 S CA -1.145 57.173 58.200 0.197 0.000 1.216 341 S CB 0.272 63.574 63.200 0.169 0.000 1.130 341 S HN 0.722 nan 8.310 nan 0.000 0.465 342 P HA 0.508 nan 4.420 nan 0.000 0.281 342 P C 0.270 177.477 177.300 -0.154 0.000 1.249 342 P CA -0.484 62.617 63.100 0.000 0.000 0.810 342 P CB 1.030 32.717 31.700 -0.022 0.000 1.008 343 T N -0.674 113.796 114.554 -0.140 0.000 3.069 343 T HA 0.457 4.806 4.350 -0.000 0.000 0.252 343 T C 0.416 174.703 174.700 -0.690 0.000 1.053 343 T CA 0.370 62.334 62.100 -0.227 0.000 0.964 343 T CB -0.153 68.734 68.868 0.032 0.000 1.005 343 T HN 0.716 nan 8.240 nan 0.000 0.532 344 G N -1.177 106.935 108.800 -1.147 0.000 2.488 344 G HA2 0.544 4.504 3.960 -0.000 0.000 0.301 344 G HA3 0.544 4.504 3.960 -0.000 0.000 0.301 344 G C -0.211 174.004 174.900 -1.141 0.000 1.339 344 G CA 0.119 44.178 45.100 -1.734 0.000 0.803 344 G HN 0.471 nan 8.290 nan 0.000 0.482 345 G N -1.581 106.765 108.800 -0.757 0.000 2.615 345 G HA2 0.055 4.015 3.960 -0.000 0.000 0.218 345 G HA3 0.055 4.015 3.960 -0.000 0.000 0.218 345 G C -0.082 174.542 174.900 -0.461 0.000 1.339 345 G CA 0.683 45.430 45.100 -0.588 0.000 0.884 345 G HN 1.461 nan 8.290 nan 0.000 0.559 346 Y N -0.334 119.521 120.300 -0.743 0.000 2.563 346 Y HA 0.570 5.120 4.550 -0.000 0.000 0.250 346 Y C 0.454 175.762 175.900 -0.987 0.000 1.126 346 Y CA -0.210 57.434 58.100 -0.760 0.000 1.231 346 Y CB 0.620 38.438 38.460 -1.069 0.000 1.288 346 Y HN 0.437 nan 8.280 nan 0.000 0.537 347 F N -0.411 119.641 119.950 0.169 0.000 2.643 347 F HA 0.626 5.153 4.527 -0.000 0.000 0.314 347 F C -0.638 175.246 175.800 0.141 0.000 1.096 347 F CA -1.686 56.367 58.000 0.087 0.000 0.953 347 F CB 1.495 40.503 39.000 0.013 0.000 1.345 347 F HN -0.465 nan 8.300 nan 0.000 0.468 348 I N 0.935 121.656 120.570 0.252 0.000 2.545 348 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 348 I C -0.800 175.406 176.117 0.149 0.000 1.040 348 I CA -0.732 60.676 61.300 0.180 0.000 1.068 348 I CB 2.202 40.240 38.000 0.063 0.000 1.251 348 I HN 0.491 nan 8.210 nan 0.000 0.424 349 S N 5.214 121.022 115.700 0.181 0.000 2.474 349 S HA 0.614 5.084 4.470 -0.000 0.000 0.321 349 S C -0.764 173.973 174.600 0.228 0.000 1.080 349 S CA -0.470 57.831 58.200 0.169 0.000 1.106 349 S CB 0.724 64.015 63.200 0.152 0.000 0.984 349 S HN 0.321 nan 8.310 nan 0.000 0.464 350 V N 4.995 125.042 119.914 0.222 0.000 2.459 350 V HA 0.533 4.653 4.120 -0.000 0.000 0.295 350 V C -0.634 175.629 176.094 0.281 0.000 1.029 350 V CA -0.894 61.594 62.300 0.313 0.000 0.874 350 V CB 1.888 33.908 31.823 0.329 0.000 0.985 350 V HN 0.771 nan 8.190 nan 0.000 0.438 351 D N 3.192 123.756 120.400 0.273 0.000 2.408 351 D HA 0.517 5.157 4.640 -0.000 0.000 0.243 351 D C -0.064 176.359 176.300 0.205 0.000 1.075 351 D CA -0.048 54.081 54.000 0.215 0.000 0.832 351 D CB 2.407 43.313 40.800 0.176 0.000 1.162 351 D HN 0.464 nan 8.370 nan 0.000 0.515 352 V N -0.629 119.388 119.914 0.172 0.000 3.406 352 V HA 0.499 4.619 4.120 -0.000 0.000 0.305 352 V C 0.637 176.788 176.094 0.094 0.000 1.136 352 V CA -0.908 61.475 62.300 0.138 0.000 1.011 352 V CB 0.803 32.687 31.823 0.101 0.000 1.221 352 V HN 0.216 nan 8.190 nan 0.000 0.454 353 V N 2.598 122.552 119.914 0.067 0.000 2.539 353 V HA 0.098 4.218 4.120 -0.000 0.000 0.300 353 V C -2.002 174.114 176.094 0.037 0.000 1.019 353 V CA -0.149 62.179 62.300 0.047 0.000 1.160 353 V CB 0.023 31.866 31.823 0.033 0.000 0.901 353 V HN 0.874 nan 8.190 nan 0.000 0.481 354 P HA 0.233 nan 4.420 nan 0.000 0.264 354 P C 0.898 178.203 177.300 0.009 0.000 1.193 354 P CA 1.357 64.470 63.100 0.021 0.000 0.763 354 P CB 0.589 32.301 31.700 0.020 0.000 0.810 355 G N 2.005 110.805 108.800 0.000 0.000 2.213 355 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.226 355 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.226 355 G C 0.968 175.866 174.900 -0.004 0.000 0.992 355 G CA 0.437 45.534 45.100 -0.005 0.000 0.632 355 G HN 0.488 nan 8.290 nan 0.000 0.511 356 T N 0.272 114.827 114.554 0.002 0.000 2.990 356 T HA 0.498 4.848 4.350 -0.000 0.000 0.249 356 T C 2.581 177.282 174.700 0.001 0.000 1.039 356 T CA 1.446 63.544 62.100 -0.004 0.000 1.036 356 T CB 0.000 68.866 68.868 -0.005 0.000 0.994 356 T HN 0.997 nan 8.240 nan 0.000 0.489 357 A N 1.370 124.203 122.820 0.021 0.000 1.884 357 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 357 A C 2.504 180.110 177.584 0.038 0.000 1.197 357 A CA 2.314 54.378 52.037 0.045 0.000 0.637 357 A CB -1.129 17.911 19.000 0.066 0.000 0.827 357 A HN 0.412 nan 8.150 nan 0.000 0.450 358 S N -1.241 114.474 115.700 0.025 0.000 2.374 358 S HA -0.211 4.259 4.470 -0.000 0.000 0.227 358 S C 2.187 176.796 174.600 0.014 0.000 1.037 358 S CA 1.872 60.087 58.200 0.025 0.000 1.024 358 S CB -0.335 62.874 63.200 0.014 0.000 0.861 358 S HN 0.614 nan 8.310 nan 0.000 0.456 359 R N 1.097 121.595 120.500 -0.004 0.000 2.073 359 R HA -0.016 4.324 4.340 -0.000 0.000 0.234 359 R C 1.999 178.279 176.300 -0.034 0.000 1.134 359 R CA 1.609 57.696 56.100 -0.022 0.000 0.952 359 R CB -1.025 29.253 30.300 -0.038 0.000 0.850 359 R HN 0.283 nan 8.270 nan 0.000 0.433 360 V N -0.209 119.680 119.914 -0.043 0.000 2.287 360 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 360 V C 2.353 178.440 176.094 -0.011 0.000 1.053 360 V CA 1.969 64.224 62.300 -0.074 0.000 1.027 360 V CB -0.572 31.176 31.823 -0.125 0.000 0.646 360 V HN 0.190 nan 8.190 nan 0.000 0.447 361 V N -0.230 119.708 119.914 0.040 0.000 2.282 361 V HA -0.351 3.769 4.120 -0.000 0.000 0.249 361 V C 2.455 178.584 176.094 0.058 0.000 1.057 361 V CA 2.519 64.864 62.300 0.075 0.000 1.032 361 V CB -0.592 31.282 31.823 0.086 0.000 0.645 361 V HN 0.666 nan 8.190 nan 0.000 0.447 362 E N -0.399 119.824 120.200 0.038 0.000 2.023 362 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 362 E C 2.297 178.929 176.600 0.053 0.000 1.003 362 E CA 1.426 57.848 56.400 0.037 0.000 0.809 362 E CB -0.130 29.581 29.700 0.019 0.000 0.755 362 E HN 0.298 nan 8.360 nan 0.000 0.449 363 L N 0.850 122.090 121.223 0.028 0.000 2.034 363 L HA -0.277 4.062 4.340 -0.000 0.000 0.217 363 L C 2.495 179.481 176.870 0.194 0.000 1.077 363 L CA 2.258 57.134 54.840 0.060 0.000 0.769 363 L CB -1.682 40.325 42.059 -0.086 0.000 0.890 363 L HN 0.266 nan 8.230 nan 0.000 0.435 364 A N -0.741 122.153 122.820 0.123 0.000 1.877 364 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 364 A C 2.443 180.086 177.584 0.099 0.000 1.186 364 A CA 1.948 54.060 52.037 0.126 0.000 0.620 364 A CB -0.503 18.568 19.000 0.118 0.000 0.822 364 A HN 0.441 nan 8.150 nan 0.000 0.443 365 K N 0.047 120.497 120.400 0.084 0.000 2.063 365 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 365 K C 1.637 178.269 176.600 0.054 0.000 1.048 365 K CA 1.916 58.239 56.287 0.061 0.000 0.928 365 K CB -0.203 32.329 32.500 0.053 0.000 0.713 365 K HN 0.601 nan 8.250 nan 0.000 0.442 366 E N -0.835 119.414 120.200 0.082 0.000 2.427 366 E HA -0.041 4.309 4.350 -0.000 0.000 0.196 366 E C 0.809 177.421 176.600 0.019 0.000 1.028 366 E CA 0.566 57.010 56.400 0.074 0.000 0.864 366 E CB 0.329 30.105 29.700 0.126 0.000 0.813 366 E HN 0.401 nan 8.360 nan 0.000 0.514 367 A N 0.006 122.831 122.820 0.009 0.000 2.500 367 A HA 0.463 4.783 4.320 -0.000 0.000 0.267 367 A C 1.371 178.916 177.584 -0.064 0.000 1.290 367 A CA 0.333 52.295 52.037 -0.124 0.000 0.928 367 A CB -0.057 18.828 19.000 -0.193 0.000 1.066 367 A HN 0.229 nan 8.150 nan 0.000 0.516 368 G N -0.493 108.294 108.800 -0.022 0.000 2.159 368 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.256 368 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.256 368 G C 0.007 174.911 174.900 0.007 0.000 0.977 368 G CA 0.438 45.531 45.100 -0.013 0.000 0.652 368 G HN 0.546 nan 8.290 nan 0.000 0.531 369 I N 1.376 121.962 120.570 0.027 0.000 2.382 369 I HA 0.601 4.771 4.170 -0.000 0.000 0.285 369 I C 0.687 176.840 176.117 0.060 0.000 1.007 369 I CA -0.649 60.678 61.300 0.045 0.000 1.142 369 I CB 1.769 39.808 38.000 0.064 0.000 1.289 369 I HN 0.245 nan 8.210 nan 0.000 0.453 370 A N 7.429 130.279 122.820 0.050 0.000 2.409 370 A HA 0.630 4.950 4.320 -0.000 0.000 0.267 370 A C -0.704 176.923 177.584 0.072 0.000 1.127 370 A CA -0.048 52.023 52.037 0.057 0.000 0.795 370 A CB 0.195 19.221 19.000 0.043 0.000 1.061 370 A HN 0.539 nan 8.150 nan 0.000 0.502 371 L N 2.008 123.287 121.223 0.092 0.000 2.354 371 L HA 0.490 4.830 4.340 -0.000 0.000 0.269 371 L C 0.829 177.758 176.870 0.098 0.000 1.005 371 L CA 0.036 54.944 54.840 0.112 0.000 0.819 371 L CB 2.017 44.184 42.059 0.180 0.000 1.311 371 L HN 0.800 nan 8.230 nan 0.000 0.423 372 T N -0.127 114.482 114.554 0.092 0.000 2.902 372 T HA 0.392 4.742 4.350 -0.000 0.000 0.301 372 T C 0.737 175.505 174.700 0.113 0.000 1.012 372 T CA -0.404 61.751 62.100 0.093 0.000 1.151 372 T CB 0.299 69.213 68.868 0.077 0.000 0.946 372 T HN 0.829 nan 8.240 nan 0.000 0.542 373 G N 1.841 110.712 108.800 0.118 0.000 2.464 373 G HA2 0.389 4.349 3.960 -0.000 0.000 0.231 373 G HA3 0.389 4.349 3.960 -0.000 0.000 0.231 373 G C 0.513 175.501 174.900 0.146 0.000 1.267 373 G CA -0.441 44.735 45.100 0.127 0.000 0.863 373 G HN 1.335 nan 8.290 nan 0.000 0.559 374 A N 1.032 123.925 122.820 0.122 0.000 2.580 374 A HA 0.500 4.820 4.320 -0.000 0.000 0.244 374 A C 1.758 179.427 177.584 0.142 0.000 1.045 374 A CA 1.327 53.432 52.037 0.114 0.000 0.761 374 A CB -0.475 18.567 19.000 0.070 0.000 0.962 374 A HN 2.714 nan 8.150 nan 0.000 0.512 375 G N 1.552 110.452 108.800 0.166 0.000 2.159 375 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.256 375 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.256 375 G C 1.225 176.283 174.900 0.263 0.000 0.977 375 G CA 1.090 46.317 45.100 0.212 0.000 0.652 375 G HN 2.186 nan 8.290 nan 0.000 0.531 376 S N -0.581 115.237 115.700 0.197 0.000 2.507 376 S HA 0.156 4.626 4.470 -0.000 0.000 0.235 376 S C 1.825 176.399 174.600 -0.044 0.000 0.988 376 S CA 1.688 59.893 58.200 0.009 0.000 0.944 376 S CB -0.024 63.247 63.200 0.118 0.000 0.762 376 S HN 0.616 nan 8.310 nan 0.000 0.526 377 S N 0.732 116.507 115.700 0.125 0.000 2.660 377 S HA 0.440 4.910 4.470 -0.000 0.000 0.227 377 S C -0.546 174.056 174.600 0.003 0.000 0.948 377 S CA -0.448 57.753 58.200 0.001 0.000 0.948 377 S CB -0.311 62.836 63.200 -0.088 0.000 0.779 377 S HN 0.536 nan 8.310 nan 0.000 0.487 378 F N 1.107 121.157 119.950 0.167 0.000 2.563 378 F HA 0.448 4.975 4.527 -0.000 0.000 0.316 378 F C -2.635 173.192 175.800 0.046 0.000 1.076 378 F CA -2.836 55.242 58.000 0.131 0.000 0.921 378 F CB 1.077 40.105 39.000 0.046 0.000 1.209 378 F HN -0.194 nan 8.300 nan 0.000 0.462 379 P HA 0.079 nan 4.420 nan 0.000 0.265 379 P C 0.076 177.429 177.300 0.088 0.000 1.187 379 P CA 0.443 63.455 63.100 -0.147 0.000 0.766 379 P CB 0.308 31.833 31.700 -0.291 0.000 0.820 380 L N 1.245 122.561 121.223 0.155 0.000 4.137 380 L HA -0.301 4.039 4.340 -0.000 0.000 0.421 380 L C 0.003 177.044 176.870 0.284 0.000 1.162 380 L CA 0.326 55.289 54.840 0.205 0.000 0.978 380 L CB -2.763 39.375 42.059 0.131 0.000 1.957 380 L HN 0.714 nan 8.230 nan 0.000 0.978 381 H N -1.524 117.637 119.070 0.153 0.000 2.690 381 H HA -0.180 4.376 4.556 -0.000 0.000 0.309 381 H C 0.591 175.981 175.328 0.104 0.000 1.138 381 H CA 1.215 57.352 56.048 0.150 0.000 1.142 381 H CB -1.056 28.766 29.762 0.099 0.000 1.410 381 H HN 0.640 nan 8.280 nan 0.000 0.409 382 N N 0.815 119.611 118.700 0.160 0.000 2.573 382 N HA 0.168 4.908 4.740 -0.000 0.000 0.262 382 N C -1.636 173.780 175.510 -0.157 0.000 1.029 382 N CA -0.780 52.289 53.050 0.031 0.000 0.882 382 N CB 0.923 39.432 38.487 0.037 0.000 1.204 382 N HN 0.272 nan 8.380 nan 0.000 0.519 383 D N 3.886 124.048 120.400 -0.398 0.000 2.325 383 D HA 0.204 4.844 4.640 -0.000 0.000 0.251 383 D C -1.472 174.552 176.300 -0.460 0.000 1.196 383 D CA -2.139 51.270 54.000 -0.985 0.000 0.866 383 D CB 1.382 41.591 40.800 -0.985 0.000 1.101 383 D HN 0.403 nan 8.370 nan 0.000 0.476 384 P HA -0.041 nan 4.420 nan 0.000 0.230 384 P C 0.304 177.529 177.300 -0.125 0.000 1.158 384 P CA 0.480 63.485 63.100 -0.159 0.000 0.769 384 P CB 0.534 32.179 31.700 -0.091 0.000 0.807 385 N N -0.462 118.138 118.700 -0.166 0.000 2.254 385 N HA -0.022 4.718 4.740 -0.000 0.000 0.190 385 N C 0.374 175.839 175.510 -0.074 0.000 1.107 385 N CA 0.055 53.053 53.050 -0.087 0.000 0.869 385 N CB -0.730 37.728 38.487 -0.048 0.000 0.983 385 N HN -0.019 nan 8.380 nan 0.000 0.487 386 N N 2.159 120.790 118.700 -0.116 0.000 2.705 386 N HA -0.214 4.526 4.740 -0.000 0.000 0.255 386 N C 0.593 176.092 175.510 -0.018 0.000 1.008 386 N CA 0.995 54.005 53.050 -0.066 0.000 0.742 386 N CB -0.781 37.683 38.487 -0.038 0.000 0.906 386 N HN 0.663 nan 8.380 nan 0.000 0.541 387 E N -2.186 118.011 120.200 -0.006 0.000 2.500 387 E HA 0.042 4.392 4.350 -0.000 0.000 0.217 387 E C 0.125 176.797 176.600 0.119 0.000 0.848 387 E CA -0.508 55.926 56.400 0.057 0.000 1.217 387 E CB 0.036 29.774 29.700 0.063 0.000 1.217 387 E HN 0.373 nan 8.360 nan 0.000 0.573 388 N N 1.435 120.222 118.700 0.144 0.000 2.479 388 N HA 0.314 5.054 4.740 -0.000 0.000 0.285 388 N C -1.011 174.631 175.510 0.219 0.000 1.075 388 N CA -0.215 52.977 53.050 0.236 0.000 0.967 388 N CB 1.063 39.800 38.487 0.417 0.000 1.137 388 N HN 0.096 nan 8.380 nan 0.000 0.472 389 I N 2.357 123.060 120.570 0.222 0.000 2.548 389 I HA 0.261 4.431 4.170 -0.000 0.000 0.287 389 I C 0.060 176.261 176.117 0.140 0.000 1.103 389 I CA -0.734 60.690 61.300 0.206 0.000 1.049 389 I CB 2.311 40.495 38.000 0.306 0.000 1.232 389 I HN 0.365 nan 8.210 nan 0.000 0.429 390 R N 6.643 127.198 120.500 0.090 0.000 2.308 390 R HA 0.605 4.944 4.340 -0.000 0.000 0.305 390 R C -1.422 174.881 176.300 0.005 0.000 1.053 390 R CA -0.389 55.732 56.100 0.036 0.000 0.957 390 R CB 0.808 31.089 30.300 -0.032 0.000 1.022 390 R HN 0.613 nan 8.270 nan 0.000 0.461 391 L N 3.461 124.674 121.223 -0.017 0.000 2.307 391 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 391 L C -0.320 176.562 176.870 0.020 0.000 1.023 391 L CA -0.812 53.959 54.840 -0.114 0.000 0.810 391 L CB 1.963 43.836 42.059 -0.309 0.000 1.231 391 L HN 0.710 nan 8.230 nan 0.000 0.423 392 A N 4.606 127.423 122.820 -0.007 0.000 2.328 392 A HA 0.627 4.947 4.320 -0.000 0.000 0.318 392 A C -2.098 175.375 177.584 -0.185 0.000 1.347 392 A CA -1.169 50.873 52.037 0.009 0.000 0.842 392 A CB 0.566 19.680 19.000 0.191 0.000 1.148 392 A HN 0.527 nan 8.150 nan 0.000 0.499 393 P HA -0.031 nan 4.420 nan 0.000 0.245 393 P C 1.456 178.545 177.300 -0.353 0.000 1.203 393 P CA 1.090 63.909 63.100 -0.469 0.000 0.792 393 P CB 0.298 31.488 31.700 -0.851 0.000 0.997 394 S N -0.012 115.510 115.700 -0.298 0.000 2.370 394 S HA -0.161 4.309 4.470 -0.000 0.000 0.226 394 S C 1.949 176.509 174.600 -0.065 0.000 1.033 394 S CA 0.951 59.039 58.200 -0.187 0.000 1.011 394 S CB -1.586 61.533 63.200 -0.135 0.000 0.852 394 S HN 0.091 nan 8.310 nan 0.000 0.457 395 L N 1.842 123.049 121.223 -0.026 0.000 2.034 395 L HA 0.221 4.561 4.340 -0.000 0.000 0.203 395 L C -1.859 175.002 176.870 -0.014 0.000 1.074 395 L CA 0.142 54.987 54.840 0.009 0.000 0.748 395 L CB -0.899 41.180 42.059 0.033 0.000 0.905 395 L HN 0.229 nan 8.230 nan 0.000 0.439 396 P HA 0.066 nan 4.420 nan 0.000 0.267 396 P C -2.486 174.790 177.300 -0.040 0.000 1.200 396 P CA -0.931 62.148 63.100 -0.035 0.000 0.772 396 P CB -0.231 31.439 31.700 -0.049 0.000 0.855 397 P HA -0.028 nan 4.420 nan 0.000 0.272 397 P C 1.016 178.292 177.300 -0.041 0.000 1.230 397 P CA -0.077 63.005 63.100 -0.029 0.000 0.788 397 P CB 0.693 32.382 31.700 -0.019 0.000 0.949 398 V N 2.019 121.908 119.914 -0.042 0.000 2.380 398 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 398 V C 2.394 178.462 176.094 -0.044 0.000 1.063 398 V CA 2.835 65.105 62.300 -0.050 0.000 1.055 398 V CB -1.387 30.410 31.823 -0.043 0.000 0.657 398 V HN 0.703 nan 8.190 nan 0.000 0.455 399 A N -0.841 121.959 122.820 -0.033 0.000 1.883 399 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 399 A C 2.096 179.662 177.584 -0.030 0.000 1.186 399 A CA 2.044 54.064 52.037 -0.028 0.000 0.624 399 A CB -0.531 18.456 19.000 -0.022 0.000 0.822 399 A HN 0.678 nan 8.150 nan 0.000 0.444 400 E N -0.862 119.319 120.200 -0.031 0.000 2.047 400 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 400 E C 1.946 178.522 176.600 -0.039 0.000 0.987 400 E CA 1.001 57.383 56.400 -0.030 0.000 0.799 400 E CB -0.280 29.404 29.700 -0.026 0.000 0.752 400 E HN 0.419 nan 8.360 nan 0.000 0.449 401 L N 2.041 123.231 121.223 -0.055 0.000 2.021 401 L HA -0.268 4.072 4.340 -0.000 0.000 0.215 401 L C 1.962 178.789 176.870 -0.071 0.000 1.074 401 L CA 1.868 56.661 54.840 -0.079 0.000 0.760 401 L CB -0.431 41.566 42.059 -0.104 0.000 0.889 401 L HN 0.121 nan 8.230 nan 0.000 0.433 402 E N -1.358 118.808 120.200 -0.058 0.000 2.085 402 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 402 E C 2.100 178.680 176.600 -0.034 0.000 0.994 402 E CA 1.622 57.993 56.400 -0.048 0.000 0.801 402 E CB -0.188 29.489 29.700 -0.039 0.000 0.743 402 E HN 0.443 nan 8.360 nan 0.000 0.453 403 V N 1.581 121.478 119.914 -0.027 0.000 2.346 403 V HA -0.070 4.050 4.120 -0.000 0.000 0.244 403 V C 1.450 177.541 176.094 -0.006 0.000 1.037 403 V CA 0.917 63.207 62.300 -0.017 0.000 1.029 403 V CB -0.647 31.165 31.823 -0.019 0.000 0.663 403 V HN 0.208 nan 8.190 nan 0.000 0.454 407 G N 1.063 109.890 108.800 0.045 0.000 2.545 407 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.222 407 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.222 407 G C 1.446 176.400 174.900 0.091 0.000 1.126 407 G CA 1.620 46.756 45.100 0.060 0.000 0.754 407 G HN 0.351 nan 8.290 nan 0.000 0.583 408 F N 2.383 122.319 119.950 -0.023 0.000 2.075 408 F HA 0.038 4.565 4.527 -0.000 0.000 0.297 408 F C 2.817 178.597 175.800 -0.033 0.000 1.113 408 F CA 1.585 59.569 58.000 -0.027 0.000 1.218 408 F CB -0.466 38.500 39.000 -0.057 0.000 0.984 408 F HN 0.232 nan 8.300 nan 0.000 0.472 409 A N -0.483 122.343 122.820 0.010 0.000 1.940 409 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 409 A C 2.169 179.660 177.584 -0.156 0.000 1.176 409 A CA 2.353 54.330 52.037 -0.100 0.000 0.631 409 A CB -1.490 17.492 19.000 -0.031 0.000 0.814 409 A HN 0.479 nan 8.150 nan 0.000 0.446 410 T N -0.967 113.535 114.554 -0.086 0.000 2.821 410 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 410 T C 1.896 176.538 174.700 -0.096 0.000 1.046 410 T CA 1.479 63.549 62.100 -0.050 0.000 1.139 410 T CB -0.587 68.309 68.868 0.047 0.000 0.871 410 T HN 0.609 nan 8.240 nan 0.000 0.454 411 C N 0.691 119.906 119.300 -0.141 0.000 2.508 411 C HA 0.039 4.499 4.460 -0.000 0.000 0.280 411 C C 2.825 177.652 174.990 -0.272 0.000 1.262 411 C CA 0.198 59.098 59.018 -0.196 0.000 1.706 411 C CB -1.282 26.357 27.740 -0.168 0.000 2.078 411 C HN 0.441 nan 8.230 nan 0.000 0.480 412 V N 1.303 120.957 119.914 -0.433 0.000 2.370 412 V HA -0.153 3.967 4.120 -0.000 0.000 0.252 412 V C 1.203 177.181 176.094 -0.193 0.000 1.068 412 V CA 1.646 63.728 62.300 -0.364 0.000 1.061 412 V CB -0.525 31.010 31.823 -0.480 0.000 0.656 412 V HN 0.484 nan 8.190 nan 0.000 0.455 416 A N 0.264 123.048 122.820 -0.061 0.000 1.972 416 A HA 0.144 4.464 4.320 -0.000 0.000 0.219 416 A C 1.923 179.492 177.584 -0.024 0.000 1.169 416 A CA 1.657 53.676 52.037 -0.028 0.000 0.635 416 A CB -0.584 18.410 19.000 -0.010 0.000 0.810 416 A HN 0.575 nan 8.150 nan 0.000 0.446 417 L N -0.654 120.545 121.223 -0.040 0.000 2.240 417 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 417 L C 1.793 178.642 176.870 -0.036 0.000 1.106 417 L CA 0.775 55.596 54.840 -0.033 0.000 0.793 417 L CB -0.284 41.749 42.059 -0.043 0.000 0.927 417 L HN 0.417 nan 8.230 nan 0.000 0.446 418 E N -0.115 120.056 120.200 -0.049 0.000 2.505 418 E HA -0.057 4.292 4.350 -0.000 0.000 0.197 418 E C 0.958 177.541 176.600 -0.028 0.000 1.111 418 E CA -0.275 56.099 56.400 -0.044 0.000 0.887 418 E CB -0.044 29.622 29.700 -0.057 0.000 0.913 418 E HN 0.204 nan 8.360 nan 0.000 0.517 419 V N 0.000 119.902 119.914 -0.020 0.000 2.409 419 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 419 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 419 V CB 0.000 31.821 31.823 -0.004 0.000 1.184 419 V HN 0.000 nan 8.190 nan 0.000 0.556