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 3lst_1_B DATA FIRST_RESID 13 DATA SEQUENCE DXDRLQSALA LYEEAXGYTY AAALRAAAAV GVADHLVDGP RTPAELAAAT DATA SEQUENCE GTDADALRRV LRLLAVRDVV RESDGRFALT DKGAALRSDS PVPARAGILX DATA SEQUENCE FTDTXFWTXS HRVASALGPE RPAFADIFGS SLDAYFDGDA EVEALYYEGX DATA SEQUENCE ETVSAAEHLI LARAGDFPAT GTVADVGGGR GGFLLTVLRE HPGLQGVLLD DATA SEQUENCE RAEVVARHRL DAPDVAGRWK VVEGDFLREV PHADVHVLKR ILHNWGDEDS DATA SEQUENCE VRILTNCRRV XPAHGRVLVI DAVVPEGNDA HQSKEXDFXX LAARTGQERT DATA SEQUENCE AAELEPLFTA AGLRLDRVVG TSSVXSIAVG VPA 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 13 D HA 0.000 nan 4.640 nan 0.000 0.175 13 D C 0.000 176.292 176.300 -0.013 0.000 2.045 13 D CA 0.000 53.993 54.000 -0.011 0.000 0.868 13 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 16 R N -0.218 120.267 120.500 -0.026 0.000 2.091 16 R HA 0.017 4.357 4.340 -0.000 0.000 0.238 16 R C 1.986 178.258 176.300 -0.047 0.000 1.136 16 R CA 1.237 57.316 56.100 -0.034 0.000 0.959 16 R CB -1.104 29.181 30.300 -0.023 0.000 0.856 16 R HN 0.567 nan 8.270 nan 0.000 0.437 17 L N 0.756 121.959 121.223 -0.033 0.000 2.046 17 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 17 L C 2.642 179.479 176.870 -0.054 0.000 1.077 17 L CA 1.262 56.082 54.840 -0.033 0.000 0.747 17 L CB -0.547 41.507 42.059 -0.009 0.000 0.896 17 L HN 0.139 nan 8.230 nan 0.000 0.432 18 Q N -0.418 119.355 119.800 -0.045 0.000 2.084 18 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 18 Q C 2.475 178.424 176.000 -0.085 0.000 0.978 18 Q CA 1.909 57.683 55.803 -0.050 0.000 0.844 18 Q CB -0.548 28.171 28.738 -0.032 0.000 0.898 18 Q HN 0.418 nan 8.270 nan 0.000 0.426 19 S N 0.364 116.011 115.700 -0.087 0.000 2.365 19 S HA -0.222 4.248 4.470 -0.000 0.000 0.225 19 S C 1.965 176.447 174.600 -0.197 0.000 1.039 19 S CA 1.623 59.758 58.200 -0.109 0.000 1.033 19 S CB -0.180 62.970 63.200 -0.083 0.000 0.887 19 S HN 0.441 nan 8.310 nan 0.000 0.447 20 A N 1.426 124.093 122.820 -0.255 0.000 1.883 20 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 20 A C 2.285 179.357 177.584 -0.852 0.000 1.186 20 A CA 1.637 53.352 52.037 -0.535 0.000 0.624 20 A CB -0.891 17.869 19.000 -0.401 0.000 0.822 20 A HN 0.594 nan 8.150 nan 0.000 0.444 21 L N -0.833 120.142 121.223 -0.413 0.000 2.046 21 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 21 L C 3.121 179.912 176.870 -0.132 0.000 1.077 21 L CA 1.099 55.825 54.840 -0.189 0.000 0.747 21 L CB -0.680 41.367 42.059 -0.021 0.000 0.896 21 L HN 0.449 nan 8.230 nan 0.000 0.432 22 A N 0.263 123.005 122.820 -0.130 0.000 1.908 22 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 22 A C 2.253 179.799 177.584 -0.065 0.000 1.181 22 A CA 1.569 53.564 52.037 -0.069 0.000 0.627 22 A CB -0.687 18.276 19.000 -0.063 0.000 0.818 22 A HN 0.382 nan 8.150 nan 0.000 0.445 23 L N -1.978 119.157 121.223 -0.147 0.000 2.109 23 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 23 L C 2.522 179.413 176.870 0.035 0.000 1.086 23 L CA 0.933 55.720 54.840 -0.090 0.000 0.760 23 L CB -0.679 41.293 42.059 -0.146 0.000 0.910 23 L HN 0.406 nan 8.230 nan 0.000 0.437 24 Y N 0.380 120.691 120.300 0.018 0.000 2.207 24 Y HA -0.274 4.276 4.550 -0.000 0.000 0.287 24 Y C 2.636 178.548 175.900 0.020 0.000 1.156 24 Y CA 1.148 59.261 58.100 0.022 0.000 1.182 24 Y CB -0.793 37.677 38.460 0.017 0.000 0.979 24 Y HN 0.311 nan 8.280 nan 0.000 0.521 25 E N 0.180 120.477 120.200 0.161 0.000 2.047 25 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 25 E C 1.997 178.645 176.600 0.080 0.000 0.987 25 E CA 1.135 57.592 56.400 0.095 0.000 0.799 25 E CB 0.102 29.843 29.700 0.067 0.000 0.752 25 E HN 0.299 nan 8.360 nan 0.000 0.449 26 E N 0.805 121.047 120.200 0.070 0.000 2.130 26 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 26 E C 0.972 177.626 176.600 0.090 0.000 0.998 26 E CA 0.842 57.280 56.400 0.064 0.000 0.806 26 E CB -0.448 29.273 29.700 0.034 0.000 0.738 26 E HN 0.323 nan 8.360 nan 0.000 0.459 30 Y N 2.229 122.564 120.300 0.059 0.000 2.509 30 Y HA 0.070 4.620 4.550 -0.000 0.000 0.293 30 Y C 2.495 178.498 175.900 0.173 0.000 1.133 30 Y CA 1.542 59.688 58.100 0.077 0.000 1.283 30 Y CB -1.108 37.326 38.460 -0.043 0.000 1.001 30 Y HN 0.137 nan 8.280 nan 0.000 0.555 31 T N -2.620 111.676 114.554 -0.429 0.000 2.803 31 T HA -0.275 4.075 4.350 -0.000 0.000 0.269 31 T C 1.388 175.997 174.700 -0.152 0.000 1.052 31 T CA 1.593 63.488 62.100 -0.343 0.000 1.136 31 T CB -1.018 67.531 68.868 -0.532 0.000 0.864 31 T HN 0.473 nan 8.240 nan 0.000 0.467 32 Y N 2.328 122.631 120.300 0.006 0.000 2.097 32 Y HA 0.115 4.665 4.550 -0.000 0.000 0.282 32 Y C 3.143 179.094 175.900 0.086 0.000 1.152 32 Y CA 0.728 58.849 58.100 0.034 0.000 1.136 32 Y CB -1.189 37.284 38.460 0.021 0.000 0.975 32 Y HN 0.318 nan 8.280 nan 0.000 0.498 33 A N 0.117 123.128 122.820 0.318 0.000 1.933 33 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 33 A C 2.447 180.195 177.584 0.272 0.000 1.175 33 A CA 1.901 54.125 52.037 0.312 0.000 0.628 33 A CB -1.273 17.975 19.000 0.413 0.000 0.814 33 A HN 0.428 nan 8.150 nan 0.000 0.444 34 A N -0.208 122.795 122.820 0.305 0.000 1.933 34 A HA 0.169 4.489 4.320 -0.000 0.000 0.218 34 A C 2.489 180.092 177.584 0.032 0.000 1.175 34 A CA 2.044 54.153 52.037 0.120 0.000 0.628 34 A CB -0.939 18.182 19.000 0.201 0.000 0.814 34 A HN 1.020 nan 8.150 nan 0.000 0.444 35 A N -0.502 122.347 122.820 0.049 0.000 1.873 35 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 35 A C 2.122 179.723 177.584 0.028 0.000 1.186 35 A CA 1.682 53.730 52.037 0.017 0.000 0.616 35 A CB -0.666 18.343 19.000 0.016 0.000 0.823 35 A HN 0.626 nan 8.150 nan 0.000 0.442 36 L N 0.213 121.478 121.223 0.069 0.000 2.012 36 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 36 L C 2.515 179.407 176.870 0.038 0.000 1.073 36 L CA 2.579 57.456 54.840 0.062 0.000 0.748 36 L CB -0.711 41.404 42.059 0.092 0.000 0.891 36 L HN 0.526 nan 8.230 nan 0.000 0.431 37 R N -0.544 119.976 120.500 0.034 0.000 2.096 37 R HA -0.225 4.115 4.340 -0.000 0.000 0.240 37 R C 2.100 178.386 176.300 -0.023 0.000 1.139 37 R CA 1.805 57.904 56.100 -0.003 0.000 0.952 37 R CB -0.505 29.758 30.300 -0.061 0.000 0.854 37 R HN 0.501 nan 8.270 nan 0.000 0.436 38 A N 0.612 123.413 122.820 -0.032 0.000 1.902 38 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 38 A C 2.399 179.970 177.584 -0.022 0.000 1.181 38 A CA 1.677 53.693 52.037 -0.035 0.000 0.623 38 A CB -0.804 18.171 19.000 -0.042 0.000 0.818 38 A HN 0.585 nan 8.150 nan 0.000 0.443 39 A N -0.154 122.656 122.820 -0.016 0.000 1.898 39 A HA 0.182 4.502 4.320 -0.000 0.000 0.216 39 A C 2.512 180.095 177.584 -0.001 0.000 1.181 39 A CA 2.054 54.083 52.037 -0.013 0.000 0.620 39 A CB -1.038 17.953 19.000 -0.015 0.000 0.819 39 A HN 1.058 nan 8.150 nan 0.000 0.442 40 A N -0.077 122.745 122.820 0.003 0.000 1.902 40 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 40 A C 2.505 180.090 177.584 0.002 0.000 1.181 40 A CA 2.186 54.226 52.037 0.005 0.000 0.623 40 A CB -1.020 17.987 19.000 0.012 0.000 0.818 40 A HN 1.053 nan 8.150 nan 0.000 0.443 41 A N -0.138 122.681 122.820 -0.003 0.000 1.877 41 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 41 A C 2.220 179.806 177.584 0.003 0.000 1.186 41 A CA 2.190 54.224 52.037 -0.004 0.000 0.620 41 A CB -1.155 17.836 19.000 -0.014 0.000 0.822 41 A HN 1.208 nan 8.150 nan 0.000 0.443 42 V N -3.050 116.867 119.914 0.005 0.000 3.461 42 V HA 0.433 4.553 4.120 -0.000 0.000 0.267 42 V C 1.309 177.430 176.094 0.045 0.000 1.186 42 V CA 0.603 62.914 62.300 0.018 0.000 1.154 42 V CB -1.324 30.505 31.823 0.009 0.000 0.802 42 V HN 1.628 nan 8.190 nan 0.000 0.474 43 G N 0.324 109.142 108.800 0.030 0.000 2.350 43 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.298 43 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.298 43 G C 0.498 175.436 174.900 0.063 0.000 1.037 43 G CA 0.755 45.870 45.100 0.025 0.000 1.074 43 G HN 1.078 nan 8.290 nan 0.000 0.511 44 V N 0.162 120.120 119.914 0.073 0.000 2.453 44 V HA 0.132 4.252 4.120 -0.000 0.000 0.247 44 V C 2.908 179.057 176.094 0.092 0.000 1.048 44 V CA 2.621 65.003 62.300 0.137 0.000 1.049 44 V CB -0.432 31.423 31.823 0.054 0.000 0.672 44 V HN 1.404 nan 8.190 nan 0.000 0.457 45 A N -0.430 122.400 122.820 0.015 0.000 1.986 45 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 45 A C 1.876 179.421 177.584 -0.065 0.000 1.171 45 A CA 2.067 54.100 52.037 -0.007 0.000 0.640 45 A CB -0.824 18.171 19.000 -0.009 0.000 0.811 45 A HN 0.629 nan 8.150 nan 0.000 0.451 46 D N -0.835 119.455 120.400 -0.182 0.000 2.311 46 D HA -0.111 4.529 4.640 -0.000 0.000 0.212 46 D C 1.058 177.125 176.300 -0.388 0.000 0.972 46 D CA 0.993 54.796 54.000 -0.328 0.000 0.887 46 D CB -0.250 40.263 40.800 -0.478 0.000 0.915 46 D HN 0.669 nan 8.370 nan 0.000 0.497 47 H N -1.105 117.971 119.070 0.010 0.000 2.549 47 H HA 0.181 4.737 4.556 -0.000 0.000 0.279 47 H C 1.158 176.498 175.328 0.020 0.000 1.018 47 H CA 0.009 56.065 56.048 0.012 0.000 1.175 47 H CB 0.739 30.506 29.762 0.009 0.000 1.485 47 H HN 0.083 nan 8.280 nan 0.000 0.543 48 L N 0.815 122.086 121.223 0.081 0.000 2.640 48 L HA 0.007 4.347 4.340 -0.000 0.000 0.230 48 L C 2.330 179.225 176.870 0.041 0.000 1.123 48 L CA 0.243 55.125 54.840 0.070 0.000 0.900 48 L CB 0.151 42.252 42.059 0.069 0.000 1.146 48 L HN 0.050 nan 8.230 nan 0.000 0.484 49 V N -3.601 116.325 119.914 0.019 0.000 2.720 49 V HA -0.134 3.986 4.120 -0.000 0.000 0.256 49 V C 1.294 177.399 176.094 0.019 0.000 1.082 49 V CA 1.758 64.063 62.300 0.009 0.000 1.101 49 V CB -0.451 31.365 31.823 -0.011 0.000 0.693 49 V HN 0.326 nan 8.190 nan 0.000 0.479 50 D N 1.125 121.544 120.400 0.030 0.000 2.339 50 D HA 0.439 5.078 4.640 -0.000 0.000 0.217 50 D C 1.084 177.404 176.300 0.032 0.000 1.050 50 D CA 1.295 55.313 54.000 0.031 0.000 0.856 50 D CB 0.761 41.584 40.800 0.038 0.000 0.922 50 D HN 0.829 nan 8.370 nan 0.000 0.518 51 G N 0.952 109.774 108.800 0.036 0.000 2.355 51 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.619 51 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.619 51 G C -2.985 171.944 174.900 0.048 0.000 1.337 51 G CA -1.239 43.882 45.100 0.036 0.000 0.993 51 G HN -0.188 nan 8.290 nan 0.000 0.599 52 P HA 0.389 nan 4.420 nan 0.000 0.265 52 P C -0.234 177.104 177.300 0.065 0.000 1.193 52 P CA 0.088 63.223 63.100 0.058 0.000 0.765 52 P CB 0.514 32.233 31.700 0.032 0.000 0.823 53 R N 0.786 121.344 120.500 0.096 0.000 2.888 53 R HA 0.545 4.885 4.340 -0.000 0.000 0.266 53 R C 0.122 176.496 176.300 0.123 0.000 1.020 53 R CA -0.632 55.523 56.100 0.091 0.000 0.963 53 R CB 1.197 31.549 30.300 0.088 0.000 1.197 53 R HN 0.442 nan 8.270 nan 0.000 0.481 54 T N -1.859 112.752 114.554 0.095 0.000 2.882 54 T HA 0.248 4.598 4.350 -0.000 0.000 0.287 54 T C -1.778 172.995 174.700 0.123 0.000 1.014 54 T CA -1.521 60.648 62.100 0.115 0.000 1.049 54 T CB 1.264 70.172 68.868 0.067 0.000 1.001 54 T HN 0.142 nan 8.240 nan 0.000 0.525 55 P HA -0.067 nan 4.420 nan 0.000 0.216 55 P C 1.600 178.918 177.300 0.030 0.000 1.150 55 P CA 1.557 64.704 63.100 0.077 0.000 0.843 55 P CB -0.274 31.482 31.700 0.093 0.000 0.787 56 A N 0.752 123.593 122.820 0.035 0.000 1.877 56 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 56 A C 2.171 179.753 177.584 -0.003 0.000 1.186 56 A CA 1.868 53.912 52.037 0.012 0.000 0.620 56 A CB -1.136 17.873 19.000 0.015 0.000 0.822 56 A HN 0.354 nan 8.150 nan 0.000 0.443 57 E N 0.022 120.226 120.200 0.006 0.000 2.152 57 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 57 E C 1.910 178.488 176.600 -0.037 0.000 0.983 57 E CA 0.910 57.303 56.400 -0.011 0.000 0.818 57 E CB -0.453 29.250 29.700 0.005 0.000 0.758 57 E HN 0.586 nan 8.360 nan 0.000 0.467 58 L N 1.189 122.403 121.223 -0.016 0.000 2.056 58 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 58 L C 2.802 179.625 176.870 -0.077 0.000 1.078 58 L CA 1.100 55.917 54.840 -0.037 0.000 0.749 58 L CB -0.536 41.524 42.059 0.002 0.000 0.901 58 L HN 0.209 nan 8.230 nan 0.000 0.433 59 A N 0.138 122.926 122.820 -0.053 0.000 1.908 59 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 59 A C 2.532 180.073 177.584 -0.072 0.000 1.181 59 A CA 1.828 53.832 52.037 -0.055 0.000 0.627 59 A CB -0.671 18.308 19.000 -0.035 0.000 0.818 59 A HN 0.411 nan 8.150 nan 0.000 0.445 60 A N -0.183 122.592 122.820 -0.075 0.000 1.873 60 A HA 0.182 4.502 4.320 -0.000 0.000 0.215 60 A C 2.505 180.007 177.584 -0.136 0.000 1.186 60 A CA 2.050 54.039 52.037 -0.081 0.000 0.616 60 A CB -1.036 17.927 19.000 -0.061 0.000 0.823 60 A HN 1.092 nan 8.150 nan 0.000 0.442 61 A N -0.518 122.165 122.820 -0.229 0.000 1.969 61 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 61 A C 2.202 179.515 177.584 -0.453 0.000 1.169 61 A CA 2.254 54.022 52.037 -0.449 0.000 0.635 61 A CB -0.971 17.538 19.000 -0.818 0.000 0.810 61 A HN 0.769 nan 8.150 nan 0.000 0.445 62 T N -4.502 109.887 114.554 -0.274 0.000 3.069 62 T HA 0.413 4.763 4.350 -0.000 0.000 0.252 62 T C 1.182 175.849 174.700 -0.055 0.000 1.053 62 T CA 0.881 62.918 62.100 -0.104 0.000 0.964 62 T CB -0.022 68.828 68.868 -0.031 0.000 1.005 62 T HN 1.653 nan 8.240 nan 0.000 0.532 63 G N 2.167 110.926 108.800 -0.068 0.000 2.314 63 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.292 63 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.292 63 G C 0.106 174.987 174.900 -0.032 0.000 1.059 63 G CA 0.479 45.554 45.100 -0.042 0.000 0.982 63 G HN 1.184 nan 8.290 nan 0.000 0.505 64 T N -3.203 111.329 114.554 -0.037 0.000 2.858 64 T HA 0.620 4.970 4.350 -0.000 0.000 0.285 64 T C -0.503 174.180 174.700 -0.029 0.000 1.052 64 T CA -0.157 61.925 62.100 -0.030 0.000 1.009 64 T CB 2.348 71.197 68.868 -0.032 0.000 1.241 64 T HN 0.191 nan 8.240 nan 0.000 0.542 65 D N -0.119 120.266 120.400 -0.026 0.000 2.317 65 D HA 0.551 5.191 4.640 -0.000 0.000 0.252 65 D C 1.274 177.560 176.300 -0.024 0.000 1.174 65 D CA 0.100 54.087 54.000 -0.022 0.000 0.866 65 D CB 1.119 41.908 40.800 -0.019 0.000 1.127 65 D HN 0.732 nan 8.370 nan 0.000 0.467 66 A N 4.294 127.103 122.820 -0.018 0.000 1.865 66 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 66 A C 1.777 179.354 177.584 -0.011 0.000 1.191 66 A CA 1.655 53.684 52.037 -0.014 0.000 0.623 66 A CB -0.500 18.498 19.000 -0.003 0.000 0.826 66 A HN 0.718 nan 8.150 nan 0.000 0.444 67 D N 0.111 120.507 120.400 -0.006 0.000 2.116 67 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 67 D C 2.194 178.487 176.300 -0.013 0.000 0.998 67 D CA 1.776 55.775 54.000 -0.002 0.000 0.836 67 D CB -0.524 40.275 40.800 -0.001 0.000 0.951 67 D HN 0.468 nan 8.370 nan 0.000 0.449 68 A N 0.658 123.465 122.820 -0.021 0.000 1.897 68 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 68 A C 2.170 179.726 177.584 -0.047 0.000 1.181 68 A CA 0.781 52.800 52.037 -0.029 0.000 0.620 68 A CB -0.700 18.284 19.000 -0.028 0.000 0.821 68 A HN 0.205 nan 8.150 nan 0.000 0.443 69 L N -0.082 121.108 121.223 -0.055 0.000 2.042 69 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 69 L C 2.447 179.235 176.870 -0.137 0.000 1.076 69 L CA 2.094 56.882 54.840 -0.087 0.000 0.749 69 L CB -0.616 41.396 42.059 -0.078 0.000 0.893 69 L HN 0.378 nan 8.230 nan 0.000 0.432 70 R N 0.093 120.533 120.500 -0.099 0.000 2.091 70 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 70 R C 2.348 178.595 176.300 -0.089 0.000 1.136 70 R CA 1.801 57.840 56.100 -0.102 0.000 0.959 70 R CB -0.273 30.048 30.300 0.034 0.000 0.856 70 R HN 0.423 nan 8.270 nan 0.000 0.437 71 R N -0.401 120.069 120.500 -0.049 0.000 2.096 71 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 71 R C 2.372 178.635 176.300 -0.062 0.000 1.127 71 R CA 1.407 57.487 56.100 -0.034 0.000 0.968 71 R CB -0.351 29.933 30.300 -0.027 0.000 0.861 71 R HN 0.040 nan 8.270 nan 0.000 0.440 72 V N 1.520 121.381 119.914 -0.089 0.000 2.295 72 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 72 V C 2.285 178.307 176.094 -0.121 0.000 1.049 72 V CA 1.718 63.963 62.300 -0.091 0.000 1.024 72 V CB -0.441 31.329 31.823 -0.088 0.000 0.648 72 V HN 0.263 nan 8.190 nan 0.000 0.447 73 L N -0.403 120.672 121.223 -0.247 0.000 2.083 73 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 73 L C 2.719 179.466 176.870 -0.205 0.000 1.083 73 L CA 1.842 56.435 54.840 -0.411 0.000 0.752 73 L CB -0.602 40.813 42.059 -1.073 0.000 0.899 73 L HN 0.259 nan 8.230 nan 0.000 0.433 74 R N 0.166 120.624 120.500 -0.070 0.000 2.096 74 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 74 R C 2.284 178.664 176.300 0.133 0.000 1.127 74 R CA 1.350 57.559 56.100 0.183 0.000 0.968 74 R CB -0.174 30.231 30.300 0.176 0.000 0.861 74 R HN 0.188 nan 8.270 nan 0.000 0.440 75 L N 0.711 121.972 121.223 0.062 0.000 2.072 75 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 75 L C 1.902 178.883 176.870 0.184 0.000 1.079 75 L CA 1.527 56.417 54.840 0.084 0.000 0.752 75 L CB -0.237 41.800 42.059 -0.038 0.000 0.906 75 L HN 0.224 nan 8.230 nan 0.000 0.436 76 L N -0.810 120.481 121.223 0.113 0.000 2.201 76 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 76 L C 2.561 179.506 176.870 0.125 0.000 1.105 76 L CA 0.855 55.766 54.840 0.119 0.000 0.775 76 L CB -0.763 41.326 42.059 0.050 0.000 0.913 76 L HN 0.355 nan 8.230 nan 0.000 0.440 77 A N -0.322 122.593 122.820 0.158 0.000 1.972 77 A HA -0.131 4.188 4.320 -0.000 0.000 0.219 77 A C 2.312 179.969 177.584 0.122 0.000 1.169 77 A CA 1.447 53.591 52.037 0.178 0.000 0.635 77 A CB -0.659 18.505 19.000 0.274 0.000 0.810 77 A HN 0.193 nan 8.150 nan 0.000 0.446 78 V N 0.446 120.443 119.914 0.139 0.000 2.392 78 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 78 V C 2.123 178.221 176.094 0.007 0.000 1.059 78 V CA 1.860 64.220 62.300 0.100 0.000 1.051 78 V CB -0.749 31.198 31.823 0.207 0.000 0.658 78 V HN 0.470 nan 8.190 nan 0.000 0.455 79 R N -0.030 120.469 120.500 -0.002 0.000 2.335 79 R HA 0.112 4.452 4.340 -0.000 0.000 0.223 79 R C 0.694 176.982 176.300 -0.020 0.000 0.940 79 R CA 0.296 56.353 56.100 -0.071 0.000 1.086 79 R CB -1.110 29.136 30.300 -0.089 0.000 1.073 79 R HN 0.557 nan 8.270 nan 0.000 0.504 80 D N -0.306 120.102 120.400 0.014 0.000 2.837 80 D HA -0.133 4.507 4.640 -0.000 0.000 0.230 80 D C 0.614 176.931 176.300 0.029 0.000 1.152 80 D CA 0.548 54.561 54.000 0.022 0.000 0.736 80 D CB -0.954 39.847 40.800 0.002 0.000 1.084 80 D HN 0.072 nan 8.370 nan 0.000 0.429 81 V N -1.358 118.582 119.914 0.043 0.000 2.535 81 V HA 0.026 4.146 4.120 -0.000 0.000 0.246 81 V C 1.476 177.606 176.094 0.060 0.000 1.045 81 V CA 1.432 63.758 62.300 0.043 0.000 1.058 81 V CB 0.192 32.041 31.823 0.044 0.000 0.689 81 V HN 0.390 nan 8.190 nan 0.000 0.461 82 V N -1.858 118.112 119.914 0.093 0.000 3.158 82 V HA 0.708 4.828 4.120 -0.000 0.000 0.311 82 V C -0.643 175.552 176.094 0.168 0.000 1.181 82 V CA -1.155 61.230 62.300 0.142 0.000 1.054 82 V CB 2.286 34.224 31.823 0.191 0.000 1.085 82 V HN 0.251 nan 8.190 nan 0.000 0.446 83 R N 0.690 121.297 120.500 0.178 0.000 2.533 83 R HA 0.458 4.798 4.340 -0.000 0.000 0.288 83 R C -0.935 175.345 176.300 -0.033 0.000 1.039 83 R CA -0.388 55.765 56.100 0.088 0.000 0.909 83 R CB 2.041 32.361 30.300 0.033 0.000 1.195 83 R HN 1.046 nan 8.270 nan 0.000 0.438 84 E N 2.338 122.404 120.200 -0.223 0.000 2.249 84 E HA 0.292 4.642 4.350 -0.000 0.000 0.280 84 E C -1.516 174.891 176.600 -0.323 0.000 1.016 84 E CA -0.242 55.775 56.400 -0.639 0.000 0.830 84 E CB 1.560 30.658 29.700 -1.004 0.000 1.081 84 E HN 0.442 nan 8.360 nan 0.000 0.395 85 S N 3.679 119.202 115.700 -0.295 0.000 2.592 85 S HA 0.200 4.669 4.470 -0.000 0.000 0.275 85 S C -1.477 173.037 174.600 -0.143 0.000 1.169 85 S CA -0.612 57.488 58.200 -0.166 0.000 0.958 85 S CB 0.763 63.902 63.200 -0.102 0.000 1.095 85 S HN 0.693 nan 8.310 nan 0.000 0.471 86 D N 3.074 123.408 120.400 -0.110 0.000 2.689 86 D HA -0.147 4.493 4.640 -0.000 0.000 0.237 86 D C 0.976 177.224 176.300 -0.087 0.000 1.148 86 D CA 2.192 56.145 54.000 -0.078 0.000 0.656 86 D CB -1.478 39.290 40.800 -0.053 0.000 1.050 86 D HN 1.548 nan 8.370 nan 0.000 0.426 87 G N -0.360 108.365 108.800 -0.125 0.000 2.187 87 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.261 87 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.261 87 G C 0.321 175.161 174.900 -0.099 0.000 1.000 87 G CA 0.788 45.826 45.100 -0.103 0.000 0.718 87 G HN 0.582 nan 8.290 nan 0.000 0.519 88 R N -1.384 119.009 120.500 -0.178 0.000 2.686 88 R HA 0.665 5.005 4.340 -0.000 0.000 0.286 88 R C -0.909 175.251 176.300 -0.233 0.000 0.969 88 R CA -0.809 55.236 56.100 -0.093 0.000 0.898 88 R CB 1.193 31.477 30.300 -0.027 0.000 1.183 88 R HN 0.059 nan 8.270 nan 0.000 0.456 89 F N 0.970 120.929 119.950 0.015 0.000 2.421 89 F HA 0.632 5.159 4.527 -0.000 0.000 0.337 89 F C 0.447 176.258 175.800 0.019 0.000 1.105 89 F CA -0.469 57.542 58.000 0.017 0.000 1.049 89 F CB 1.973 40.986 39.000 0.020 0.000 1.139 89 F HN 0.496 nan 8.300 nan 0.000 0.479 90 A N 2.834 125.758 122.820 0.174 0.000 2.384 90 A HA 0.763 5.083 4.320 -0.000 0.000 0.312 90 A C -1.628 176.024 177.584 0.113 0.000 1.113 90 A CA -0.770 51.333 52.037 0.111 0.000 0.779 90 A CB 1.362 20.395 19.000 0.056 0.000 1.307 90 A HN 0.673 nan 8.150 nan 0.000 0.436 91 L N 1.617 122.888 121.223 0.079 0.000 2.326 91 L HA 0.542 4.882 4.340 -0.000 0.000 0.278 91 L C 0.991 177.889 176.870 0.046 0.000 1.092 91 L CA 0.617 55.494 54.840 0.061 0.000 0.810 91 L CB 1.064 43.149 42.059 0.043 0.000 1.153 91 L HN 0.947 nan 8.230 nan 0.000 0.439 92 T N -0.246 114.334 114.554 0.042 0.000 2.884 92 T HA 0.285 4.635 4.350 -0.000 0.000 0.277 92 T C 0.796 175.508 174.700 0.021 0.000 0.976 92 T CA -0.418 61.700 62.100 0.030 0.000 0.956 92 T CB 0.629 69.515 68.868 0.030 0.000 1.113 92 T HN 0.617 nan 8.240 nan 0.000 0.554 93 D N 0.020 120.429 120.400 0.015 0.000 2.104 93 D HA -0.136 4.504 4.640 -0.000 0.000 0.194 93 D C 1.855 178.161 176.300 0.009 0.000 0.994 93 D CA 1.344 55.350 54.000 0.010 0.000 0.830 93 D CB -0.146 40.658 40.800 0.007 0.000 0.959 93 D HN 0.692 nan 8.370 nan 0.000 0.452 94 K N 0.779 121.184 120.400 0.008 0.000 2.152 94 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 94 K C 1.890 178.496 176.600 0.010 0.000 1.048 94 K CA 1.478 57.768 56.287 0.005 0.000 0.933 94 K CB -0.144 32.356 32.500 0.001 0.000 0.721 94 K HN 0.101 nan 8.250 nan 0.000 0.447 95 G N -0.563 108.247 108.800 0.017 0.000 2.985 95 G HA2 0.062 4.022 3.960 -0.000 0.000 0.209 95 G HA3 0.062 4.022 3.960 -0.000 0.000 0.209 95 G C 1.279 176.188 174.900 0.015 0.000 1.165 95 G CA 0.400 45.512 45.100 0.019 0.000 0.776 95 G HN 0.354 nan 8.290 nan 0.000 0.541 96 A N 1.288 124.115 122.820 0.012 0.000 1.933 96 A HA 0.229 4.549 4.320 -0.000 0.000 0.218 96 A C 2.663 180.248 177.584 0.003 0.000 1.175 96 A CA 1.931 53.973 52.037 0.008 0.000 0.628 96 A CB -0.535 18.469 19.000 0.007 0.000 0.814 96 A HN 0.696 nan 8.150 nan 0.000 0.444 97 A N -0.515 122.307 122.820 0.005 0.000 2.216 97 A HA 0.111 4.431 4.320 -0.000 0.000 0.214 97 A C 1.900 179.485 177.584 0.001 0.000 1.160 97 A CA 0.956 52.995 52.037 0.003 0.000 0.725 97 A CB -0.594 18.410 19.000 0.006 0.000 0.784 97 A HN 0.497 nan 8.150 nan 0.000 0.472 98 L N -0.712 120.512 121.223 0.002 0.000 2.265 98 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 98 L C 0.990 177.851 176.870 -0.015 0.000 1.117 98 L CA 0.379 55.218 54.840 -0.002 0.000 0.782 98 L CB -0.308 41.753 42.059 0.003 0.000 0.914 98 L HN 0.327 nan 8.230 nan 0.000 0.441 99 R N -0.481 120.009 120.500 -0.018 0.000 2.537 99 R HA 0.025 4.365 4.340 -0.000 0.000 0.280 99 R C 1.468 177.750 176.300 -0.030 0.000 1.058 99 R CA -0.194 55.888 56.100 -0.031 0.000 1.057 99 R CB 0.731 31.015 30.300 -0.025 0.000 0.973 99 R HN -0.023 nan 8.270 nan 0.000 0.438 100 S N 1.610 117.285 115.700 -0.042 0.000 2.419 100 S HA -0.136 4.333 4.470 -0.000 0.000 0.233 100 S C 1.118 175.704 174.600 -0.024 0.000 1.016 100 S CA 1.510 59.691 58.200 -0.033 0.000 0.974 100 S CB -0.123 63.052 63.200 -0.041 0.000 0.786 100 S HN 0.764 nan 8.310 nan 0.000 0.492 101 D N 1.231 121.616 120.400 -0.025 0.000 2.336 101 D HA 0.057 4.697 4.640 -0.000 0.000 0.229 101 D C -0.019 176.275 176.300 -0.011 0.000 1.061 101 D CA 0.031 54.021 54.000 -0.017 0.000 0.875 101 D CB -0.374 40.415 40.800 -0.017 0.000 0.904 101 D HN 0.059 nan 8.370 nan 0.000 0.525 102 S N 1.976 117.669 115.700 -0.011 0.000 2.572 102 S HA 0.120 4.590 4.470 -0.000 0.000 0.279 102 S C -1.356 173.241 174.600 -0.005 0.000 1.341 102 S CA -0.895 57.301 58.200 -0.006 0.000 1.043 102 S CB 1.400 64.596 63.200 -0.006 0.000 0.887 102 S HN 0.063 nan 8.310 nan 0.000 0.516 103 P HA -0.074 nan 4.420 nan 0.000 0.216 103 P C -0.203 177.095 177.300 -0.003 0.000 1.157 103 P CA 0.981 64.081 63.100 0.000 0.000 0.880 103 P CB 0.127 31.830 31.700 0.005 0.000 0.791 104 V N 0.241 120.152 119.914 -0.005 0.000 2.327 104 V HA 0.266 4.386 4.120 -0.000 0.000 0.272 104 V C -2.495 173.594 176.094 -0.009 0.000 1.019 104 V CA -1.835 60.458 62.300 -0.011 0.000 0.814 104 V CB 1.091 32.904 31.823 -0.017 0.000 1.040 104 V HN -0.045 nan 8.190 nan 0.000 0.440 105 P HA 0.178 nan 4.420 nan 0.000 0.267 105 P C 0.711 178.006 177.300 -0.008 0.000 1.205 105 P CA 0.059 63.153 63.100 -0.009 0.000 0.765 105 P CB 1.174 32.867 31.700 -0.012 0.000 0.828 106 A N 4.009 126.829 122.820 -0.001 0.000 2.206 106 A HA -0.094 4.225 4.320 -0.000 0.000 0.211 106 A C 2.160 179.747 177.584 0.005 0.000 1.158 106 A CA 0.563 52.605 52.037 0.009 0.000 0.761 106 A CB -0.783 18.231 19.000 0.023 0.000 0.801 106 A HN 0.506 nan 8.150 nan 0.000 0.473 107 R N 0.071 120.570 120.500 -0.002 0.000 2.096 107 R HA -0.198 4.142 4.340 -0.000 0.000 0.240 107 R C 2.218 178.508 176.300 -0.017 0.000 1.139 107 R CA 1.705 57.803 56.100 -0.004 0.000 0.952 107 R CB -0.393 29.904 30.300 -0.006 0.000 0.854 107 R HN 0.440 nan 8.270 nan 0.000 0.436 108 A N 0.112 122.913 122.820 -0.031 0.000 1.858 108 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 108 A C 2.410 179.923 177.584 -0.118 0.000 1.190 108 A CA 1.792 53.793 52.037 -0.059 0.000 0.617 108 A CB -1.429 17.538 19.000 -0.056 0.000 0.827 108 A HN 0.593 nan 8.150 nan 0.000 0.443 109 G N -0.198 108.528 108.800 -0.123 0.000 2.442 109 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 109 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 109 G C 1.539 176.379 174.900 -0.100 0.000 1.141 109 G CA 1.121 46.092 45.100 -0.214 0.000 0.763 109 G HN 0.477 nan 8.290 nan 0.000 0.554 110 I N 0.469 121.057 120.570 0.030 0.000 2.179 110 I HA -0.050 4.120 4.170 -0.000 0.000 0.242 110 I C 1.645 177.802 176.117 0.066 0.000 1.088 110 I CA 0.280 61.639 61.300 0.099 0.000 1.357 110 I CB -0.271 37.772 38.000 0.071 0.000 1.051 110 I HN 0.083 nan 8.210 nan 0.000 0.409 114 T N -2.523 112.244 114.554 0.355 0.000 3.176 114 T HA 0.248 4.598 4.350 -0.000 0.000 0.263 114 T C 0.134 175.028 174.700 0.324 0.000 1.021 114 T CA -0.019 62.323 62.100 0.404 0.000 0.905 114 T CB -0.021 68.997 68.868 0.251 0.000 1.057 114 T HN 0.026 nan 8.240 nan 0.000 0.558 115 D N 2.042 122.649 120.400 0.345 0.000 2.362 115 D HA 0.184 4.824 4.640 -0.000 0.000 0.238 115 D C 0.554 177.075 176.300 0.369 0.000 1.212 115 D CA 0.133 54.318 54.000 0.310 0.000 0.902 115 D CB 0.743 41.755 40.800 0.354 0.000 1.180 115 D HN 0.133 nan 8.370 nan 0.000 0.445 119 W N 2.377 123.865 121.300 0.314 0.000 2.358 119 W HA -0.038 4.622 4.660 -0.000 0.000 0.303 119 W C 0.692 177.312 176.519 0.168 0.000 1.208 119 W CA 2.506 59.977 57.345 0.211 0.000 1.274 119 W CB -0.266 29.292 29.460 0.162 0.000 1.138 119 W HN -0.144 nan 8.180 nan 0.000 0.515 123 H N 2.225 121.256 119.070 -0.065 0.000 2.489 123 H HA 0.180 4.736 4.556 -0.000 0.000 0.293 123 H C 1.396 176.696 175.328 -0.048 0.000 1.066 123 H CA 1.565 57.553 56.048 -0.100 0.000 1.305 123 H CB 0.168 29.852 29.762 -0.130 0.000 1.386 123 H HN 0.162 nan 8.280 nan 0.000 0.551 124 R N -0.479 120.001 120.500 -0.033 0.000 2.552 124 R HA 0.128 4.468 4.340 -0.000 0.000 0.314 124 R C 1.321 177.570 176.300 -0.085 0.000 1.041 124 R CA 0.129 56.181 56.100 -0.080 0.000 1.076 124 R CB 0.716 31.002 30.300 -0.025 0.000 1.290 124 R HN 0.163 nan 8.270 nan 0.000 0.563 125 V N 0.987 120.856 119.914 -0.074 0.000 2.568 125 V HA -0.284 3.836 4.120 -0.000 0.000 0.253 125 V C 2.446 178.495 176.094 -0.076 0.000 1.072 125 V CA 2.204 64.450 62.300 -0.090 0.000 1.084 125 V CB -0.411 31.370 31.823 -0.069 0.000 0.676 125 V HN 0.446 nan 8.190 nan 0.000 0.469 126 A N -0.079 122.699 122.820 -0.071 0.000 1.865 126 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 126 A C 2.445 179.994 177.584 -0.058 0.000 1.191 126 A CA 2.419 54.420 52.037 -0.060 0.000 0.623 126 A CB -0.790 18.166 19.000 -0.074 0.000 0.826 126 A HN 0.540 nan 8.150 nan 0.000 0.444 127 S N -0.259 115.401 115.700 -0.066 0.000 2.474 127 S HA 0.096 4.566 4.470 -0.000 0.000 0.235 127 S C 1.749 176.315 174.600 -0.055 0.000 0.997 127 S CA 0.870 59.037 58.200 -0.056 0.000 0.949 127 S CB -0.226 62.940 63.200 -0.056 0.000 0.766 127 S HN 0.795 nan 8.310 nan 0.000 0.517 128 A N 0.281 123.060 122.820 -0.067 0.000 2.307 128 A HA 0.428 4.748 4.320 -0.000 0.000 0.218 128 A C 1.483 179.029 177.584 -0.064 0.000 1.228 128 A CA -0.014 51.981 52.037 -0.071 0.000 0.857 128 A CB -0.263 18.680 19.000 -0.095 0.000 0.897 128 A HN 0.446 nan 8.150 nan 0.000 0.495 129 L N -0.419 120.772 121.223 -0.053 0.000 2.567 129 L HA 0.171 4.511 4.340 -0.000 0.000 0.225 129 L C 1.621 178.473 176.870 -0.030 0.000 1.119 129 L CA -0.132 54.682 54.840 -0.042 0.000 0.871 129 L CB 0.012 42.050 42.059 -0.034 0.000 1.036 129 L HN 0.449 nan 8.230 nan 0.000 0.459 130 G N 0.662 109.445 108.800 -0.029 0.000 2.562 130 G HA2 0.039 3.999 3.960 -0.000 0.000 0.233 130 G HA3 0.039 3.999 3.960 -0.000 0.000 0.233 130 G C -1.790 173.100 174.900 -0.017 0.000 1.266 130 G CA -0.719 44.368 45.100 -0.021 0.000 0.852 130 G HN 0.038 nan 8.290 nan 0.000 0.581 131 P HA -0.090 nan 4.420 nan 0.000 0.220 131 P C 1.710 179.007 177.300 -0.006 0.000 1.148 131 P CA 1.155 64.251 63.100 -0.008 0.000 0.803 131 P CB 0.269 31.965 31.700 -0.005 0.000 0.782 132 E N 0.606 120.802 120.200 -0.007 0.000 2.482 132 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 132 E C -0.070 176.528 176.600 -0.005 0.000 1.047 132 E CA 0.265 56.662 56.400 -0.004 0.000 0.869 132 E CB -0.652 29.046 29.700 -0.004 0.000 0.836 132 E HN 0.137 nan 8.360 nan 0.000 0.520 133 R N 0.805 121.299 120.500 -0.009 0.000 2.873 133 R HA -0.103 4.237 4.340 -0.000 0.000 0.281 133 R C -2.321 173.974 176.300 -0.008 0.000 0.933 133 R CA 0.378 56.472 56.100 -0.011 0.000 0.712 133 R CB -1.803 28.494 30.300 -0.006 0.000 1.780 133 R HN 0.291 nan 8.270 nan 0.000 0.488 134 P HA 0.098 nan 4.420 nan 0.000 0.268 134 P C -0.174 177.125 177.300 -0.002 0.000 1.204 134 P CA 0.073 63.166 63.100 -0.011 0.000 0.768 134 P CB 0.887 32.572 31.700 -0.025 0.000 0.842 135 A N 2.662 125.493 122.820 0.017 0.000 2.272 135 A HA 0.225 4.545 4.320 -0.000 0.000 0.275 135 A C 1.042 178.671 177.584 0.075 0.000 1.096 135 A CA -0.385 51.683 52.037 0.052 0.000 0.822 135 A CB -0.416 18.621 19.000 0.061 0.000 1.088 135 A HN 0.625 nan 8.150 nan 0.000 0.495 136 F N 1.098 121.028 119.950 -0.034 0.000 2.087 136 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 136 F C 2.321 178.123 175.800 0.004 0.000 1.100 136 F CA 2.795 60.767 58.000 -0.047 0.000 1.226 136 F CB -0.202 38.739 39.000 -0.098 0.000 0.983 136 F HN 0.508 nan 8.300 nan 0.000 0.479 137 A N -0.498 122.492 122.820 0.283 0.000 2.015 137 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 137 A C 1.805 179.432 177.584 0.071 0.000 1.163 137 A CA 1.662 53.824 52.037 0.209 0.000 0.646 137 A CB -0.841 18.273 19.000 0.189 0.000 0.806 137 A HN 0.458 nan 8.150 nan 0.000 0.448 138 D N -0.503 119.918 120.400 0.035 0.000 2.350 138 D HA -0.035 4.605 4.640 -0.000 0.000 0.216 138 D C 1.470 177.751 176.300 -0.032 0.000 0.968 138 D CA 0.985 54.986 54.000 0.002 0.000 0.894 138 D CB 0.049 40.849 40.800 0.001 0.000 0.909 138 D HN 0.590 nan 8.370 nan 0.000 0.520 139 I N -1.440 119.087 120.570 -0.071 0.000 4.197 139 I HA -0.039 4.131 4.170 -0.000 0.000 0.307 139 I C 1.617 177.672 176.117 -0.103 0.000 1.236 139 I CA -0.154 61.084 61.300 -0.102 0.000 1.321 139 I CB 0.308 38.223 38.000 -0.142 0.000 1.309 139 I HN -0.207 nan 8.210 nan 0.000 0.450 140 F N 2.603 122.329 119.950 -0.374 0.000 2.134 140 F HA 0.097 4.624 4.527 -0.000 0.000 0.299 140 F C 1.432 177.126 175.800 -0.176 0.000 1.097 140 F CA 0.883 58.647 58.000 -0.393 0.000 1.264 140 F CB -0.402 38.245 39.000 -0.588 0.000 1.001 140 F HN -0.109 nan 8.300 nan 0.000 0.479 141 G N 0.159 108.816 108.800 -0.238 0.000 2.468 141 G HA2 0.503 4.462 3.960 -0.000 0.000 0.315 141 G HA3 0.503 4.462 3.960 -0.000 0.000 0.315 141 G C -1.418 173.522 174.900 0.065 0.000 1.203 141 G CA 0.261 45.347 45.100 -0.024 0.000 0.962 141 G HN 0.491 nan 8.290 nan 0.000 0.476 142 S N 0.269 116.127 115.700 0.263 0.000 2.680 142 S HA 0.526 4.996 4.470 -0.000 0.000 0.284 142 S C -0.221 174.629 174.600 0.416 0.000 1.055 142 S CA -0.359 58.011 58.200 0.283 0.000 0.849 142 S CB 0.582 63.932 63.200 0.250 0.000 1.068 142 S HN 1.730 nan 8.310 nan 0.000 0.453 143 S N 1.483 117.335 115.700 0.254 0.000 2.558 143 S HA 0.179 4.649 4.470 -0.000 0.000 0.291 143 S C 1.150 175.793 174.600 0.071 0.000 1.306 143 S CA -0.266 58.033 58.200 0.166 0.000 1.056 143 S CB 0.387 63.630 63.200 0.073 0.000 0.836 143 S HN 1.418 nan 8.310 nan 0.000 0.504 144 L N 1.591 122.617 121.223 -0.327 0.000 2.046 144 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 144 L C 1.728 178.482 176.870 -0.193 0.000 1.077 144 L CA 1.976 56.426 54.840 -0.650 0.000 0.747 144 L CB -1.263 40.124 42.059 -1.120 0.000 0.896 144 L HN 0.768 nan 8.230 nan 0.000 0.432 145 D N 0.017 120.388 120.400 -0.049 0.000 2.149 145 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 145 D C 2.198 178.552 176.300 0.091 0.000 0.990 145 D CA 1.522 55.577 54.000 0.091 0.000 0.839 145 D CB -0.222 40.601 40.800 0.038 0.000 0.948 145 D HN 0.502 nan 8.370 nan 0.000 0.460 146 A N -0.244 122.615 122.820 0.065 0.000 2.015 146 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 146 A C 2.071 179.703 177.584 0.081 0.000 1.163 146 A CA 0.903 52.987 52.037 0.079 0.000 0.646 146 A CB -0.827 18.233 19.000 0.100 0.000 0.806 146 A HN 0.339 nan 8.150 nan 0.000 0.448 147 Y N -0.656 119.585 120.300 -0.099 0.000 2.242 147 Y HA -0.138 4.412 4.550 -0.000 0.000 0.291 147 Y C 1.631 177.352 175.900 -0.298 0.000 1.137 147 Y CA 1.656 59.632 58.100 -0.206 0.000 1.181 147 Y CB -0.284 37.913 38.460 -0.438 0.000 0.989 147 Y HN 0.282 nan 8.280 nan 0.000 0.527 148 F N 0.023 119.911 119.950 -0.102 0.000 2.416 148 F HA -0.031 4.496 4.527 -0.000 0.000 0.296 148 F C 1.911 177.629 175.800 -0.138 0.000 1.099 148 F CA 1.041 58.931 58.000 -0.183 0.000 1.427 148 F CB -0.439 38.484 39.000 -0.129 0.000 1.079 148 F HN 0.002 nan 8.300 nan 0.000 0.536 149 D N -0.420 120.021 120.400 0.069 0.000 2.234 149 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 149 D C 2.489 178.781 176.300 -0.014 0.000 0.962 149 D CA 1.137 55.154 54.000 0.029 0.000 0.855 149 D CB -0.633 40.186 40.800 0.033 0.000 0.951 149 D HN 0.296 nan 8.370 nan 0.000 0.500 150 G N -0.472 108.298 108.800 -0.049 0.000 2.408 150 G HA2 -0.127 3.832 3.960 -0.000 0.000 0.215 150 G HA3 -0.127 3.832 3.960 -0.000 0.000 0.215 150 G C 0.356 175.201 174.900 -0.092 0.000 1.156 150 G CA 0.232 45.294 45.100 -0.063 0.000 0.793 150 G HN 0.090 nan 8.290 nan 0.000 0.535 151 D N -0.396 119.912 120.400 -0.154 0.000 2.420 151 D HA 0.537 5.177 4.640 -0.000 0.000 0.255 151 D C 1.101 177.358 176.300 -0.072 0.000 1.185 151 D CA -0.245 53.674 54.000 -0.135 0.000 0.904 151 D CB 1.090 41.758 40.800 -0.221 0.000 1.102 151 D HN 0.017 nan 8.370 nan 0.000 0.534 152 A N 3.122 125.926 122.820 -0.028 0.000 2.172 152 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 152 A C 1.783 179.379 177.584 0.019 0.000 1.154 152 A CA 1.095 53.133 52.037 0.001 0.000 0.701 152 A CB -0.085 18.909 19.000 -0.010 0.000 0.789 152 A HN 0.475 nan 8.150 nan 0.000 0.465 153 E N 0.356 120.564 120.200 0.014 0.000 2.076 153 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 153 E C 1.921 178.575 176.600 0.089 0.000 0.979 153 E CA 1.739 58.161 56.400 0.036 0.000 0.807 153 E CB -0.517 29.196 29.700 0.022 0.000 0.761 153 E HN 0.505 nan 8.360 nan 0.000 0.454 154 V N -0.600 119.372 119.914 0.097 0.000 2.515 154 V HA -0.133 3.987 4.120 -0.000 0.000 0.250 154 V C 2.278 178.610 176.094 0.397 0.000 1.058 154 V CA 2.089 64.529 62.300 0.234 0.000 1.064 154 V CB -0.720 31.182 31.823 0.131 0.000 0.675 154 V HN 0.266 nan 8.190 nan 0.000 0.461 155 E N 1.240 121.617 120.200 0.295 0.000 2.077 155 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 155 E C 2.204 178.891 176.600 0.145 0.000 0.989 155 E CA 1.519 58.040 56.400 0.202 0.000 0.800 155 E CB -0.384 29.361 29.700 0.075 0.000 0.746 155 E HN 0.698 nan 8.360 nan 0.000 0.452 156 A N 0.717 123.609 122.820 0.121 0.000 2.015 156 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 156 A C 2.059 179.745 177.584 0.170 0.000 1.163 156 A CA 1.103 53.203 52.037 0.104 0.000 0.646 156 A CB -0.480 18.552 19.000 0.053 0.000 0.806 156 A HN 0.385 nan 8.150 nan 0.000 0.448 157 L N -1.665 119.680 121.223 0.203 0.000 2.023 157 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 157 L C 2.229 179.185 176.870 0.145 0.000 1.073 157 L CA 1.913 56.849 54.840 0.160 0.000 0.745 157 L CB -0.994 41.163 42.059 0.163 0.000 0.900 157 L HN 0.404 nan 8.230 nan 0.000 0.435 158 Y N -1.444 118.930 120.300 0.123 0.000 2.207 158 Y HA -0.303 4.247 4.550 -0.000 0.000 0.287 158 Y C 2.543 178.463 175.900 0.033 0.000 1.156 158 Y CA 2.336 60.487 58.100 0.085 0.000 1.182 158 Y CB -0.923 37.613 38.460 0.126 0.000 0.979 158 Y HN 0.336 nan 8.280 nan 0.000 0.521 159 Y N 0.748 121.102 120.300 0.090 0.000 2.114 159 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 159 Y C 2.528 178.428 175.900 0.000 0.000 1.143 159 Y CA 2.024 60.134 58.100 0.016 0.000 1.135 159 Y CB -0.276 38.178 38.460 -0.010 0.000 0.980 159 Y HN 0.103 nan 8.280 nan 0.000 0.499 160 E N 0.733 121.025 120.200 0.154 0.000 2.077 160 E HA -0.000 4.350 4.350 -0.000 0.000 0.193 160 E C 1.413 177.969 176.600 -0.072 0.000 0.989 160 E CA 0.965 57.391 56.400 0.044 0.000 0.800 160 E CB -0.896 28.848 29.700 0.073 0.000 0.746 160 E HN 0.472 nan 8.360 nan 0.000 0.452 164 T N 0.485 114.964 114.554 -0.124 0.000 2.708 164 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 164 T C 2.117 176.758 174.700 -0.098 0.000 1.037 164 T CA 1.816 63.860 62.100 -0.094 0.000 1.146 164 T CB -0.774 68.052 68.868 -0.071 0.000 0.865 164 T HN -0.026 nan 8.240 nan 0.000 0.435 165 V N 1.816 121.677 119.914 -0.089 0.000 2.287 165 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 165 V C 3.113 179.152 176.094 -0.091 0.000 1.053 165 V CA 2.215 64.491 62.300 -0.040 0.000 1.027 165 V CB -1.073 30.767 31.823 0.028 0.000 0.646 165 V HN 0.534 nan 8.190 nan 0.000 0.447 166 S N -0.012 115.599 115.700 -0.148 0.000 2.359 166 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 166 S C 2.200 176.393 174.600 -0.678 0.000 1.035 166 S CA 1.537 59.560 58.200 -0.294 0.000 1.018 166 S CB -0.567 62.510 63.200 -0.205 0.000 0.876 166 S HN 0.673 nan 8.310 nan 0.000 0.448 167 A N 1.283 123.802 122.820 -0.502 0.000 1.978 167 A HA 0.054 4.374 4.320 -0.000 0.000 0.220 167 A C 2.291 179.751 177.584 -0.207 0.000 1.170 167 A CA 1.724 53.522 52.037 -0.399 0.000 0.636 167 A CB -0.919 17.988 19.000 -0.155 0.000 0.810 167 A HN 0.534 nan 8.150 nan 0.000 0.448 168 A N -0.278 122.456 122.820 -0.142 0.000 2.015 168 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 168 A C 1.848 179.419 177.584 -0.022 0.000 1.163 168 A CA 1.550 53.555 52.037 -0.052 0.000 0.646 168 A CB -0.335 18.648 19.000 -0.028 0.000 0.806 168 A HN 0.665 nan 8.150 nan 0.000 0.448 169 E N -1.631 118.541 120.200 -0.048 0.000 2.276 169 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 169 E C 1.703 178.394 176.600 0.152 0.000 0.983 169 E CA 0.282 56.700 56.400 0.030 0.000 0.861 169 E CB -0.183 29.523 29.700 0.009 0.000 0.817 169 E HN 0.608 nan 8.360 nan 0.000 0.485 170 H N 1.078 120.204 119.070 0.093 0.000 2.265 170 H HA -0.182 4.374 4.556 -0.000 0.000 0.293 170 H C 2.157 177.639 175.328 0.258 0.000 1.089 170 H CA 1.319 57.498 56.048 0.220 0.000 1.244 170 H CB -0.554 29.348 29.762 0.233 0.000 1.355 170 H HN 0.103 nan 8.280 nan 0.000 0.485 171 L N 0.489 121.887 121.223 0.292 0.000 2.046 171 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 171 L C 2.387 179.374 176.870 0.196 0.000 1.077 171 L CA 1.291 56.252 54.840 0.202 0.000 0.747 171 L CB -0.744 41.391 42.059 0.126 0.000 0.896 171 L HN 0.214 nan 8.230 nan 0.000 0.432 172 I N -1.144 119.526 120.570 0.167 0.000 2.163 172 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 172 I C 2.321 178.547 176.117 0.180 0.000 1.085 172 I CA 1.429 62.812 61.300 0.138 0.000 1.347 172 I CB -0.310 37.747 38.000 0.093 0.000 1.044 172 I HN 0.271 nan 8.210 nan 0.000 0.408 173 L N 0.319 121.678 121.223 0.226 0.000 2.056 173 L HA -0.152 4.187 4.340 -0.000 0.000 0.207 173 L C 2.885 180.056 176.870 0.502 0.000 1.078 173 L CA 1.213 56.217 54.840 0.273 0.000 0.749 173 L CB -0.878 41.242 42.059 0.101 0.000 0.901 173 L HN 0.219 nan 8.230 nan 0.000 0.433 174 A N 0.438 123.616 122.820 0.597 0.000 1.940 174 A HA -0.216 4.103 4.320 -0.000 0.000 0.219 174 A C 2.411 180.298 177.584 0.504 0.000 1.176 174 A CA 1.657 54.021 52.037 0.545 0.000 0.631 174 A CB -0.442 18.713 19.000 0.259 0.000 0.814 174 A HN 0.371 nan 8.150 nan 0.000 0.446 175 R N -0.904 119.790 120.500 0.323 0.000 2.075 175 R HA 0.106 4.446 4.340 -0.000 0.000 0.226 175 R C 2.413 178.826 176.300 0.189 0.000 1.114 175 R CA 0.964 57.208 56.100 0.240 0.000 0.972 175 R CB -0.385 30.005 30.300 0.150 0.000 0.869 175 R HN 0.461 nan 8.270 nan 0.000 0.437 176 A N 0.910 123.831 122.820 0.167 0.000 2.067 176 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 176 A C 2.211 179.817 177.584 0.036 0.000 1.158 176 A CA 1.441 53.535 52.037 0.095 0.000 0.661 176 A CB -0.725 18.328 19.000 0.089 0.000 0.801 176 A HN 0.448 nan 8.150 nan 0.000 0.452 177 G N -1.179 107.651 108.800 0.050 0.000 2.484 177 G HA2 0.009 3.969 3.960 -0.000 0.000 0.218 177 G HA3 0.009 3.969 3.960 -0.000 0.000 0.218 177 G C 0.409 174.986 174.900 -0.538 0.000 1.130 177 G CA 0.871 45.784 45.100 -0.312 0.000 0.784 177 G HN 0.431 nan 8.290 nan 0.000 0.543 178 D N -1.025 119.258 120.400 -0.195 0.000 2.705 178 D HA -0.151 4.489 4.640 -0.000 0.000 0.240 178 D C -0.252 175.917 176.300 -0.219 0.000 1.137 178 D CA 0.305 54.236 54.000 -0.115 0.000 0.677 178 D CB -1.602 39.137 40.800 -0.100 0.000 1.049 178 D HN 0.198 nan 8.370 nan 0.000 0.427 179 F N 0.041 119.923 119.950 -0.114 0.000 2.450 179 F HA 0.353 4.880 4.527 -0.000 0.000 0.339 179 F C -0.912 174.708 175.800 -0.300 0.000 1.146 179 F CA -1.312 56.508 58.000 -0.300 0.000 1.267 179 F CB -0.031 38.612 39.000 -0.596 0.000 1.178 179 F HN -0.040 nan 8.300 nan 0.000 0.585 180 P HA 0.155 nan 4.420 nan 0.000 0.272 180 P C -0.126 177.157 177.300 -0.028 0.000 1.230 180 P CA -0.189 62.900 63.100 -0.018 0.000 0.788 180 P CB 0.752 32.452 31.700 0.000 0.000 0.949 181 A N 1.108 123.946 122.820 0.030 0.000 1.930 181 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 181 A C 1.088 178.695 177.584 0.038 0.000 1.175 181 A CA 2.014 54.093 52.037 0.071 0.000 0.627 181 A CB -1.105 17.933 19.000 0.064 0.000 0.815 181 A HN 0.699 nan 8.150 nan 0.000 0.443 182 T N -5.880 108.679 114.554 0.009 0.000 2.742 182 T HA 0.656 5.006 4.350 -0.000 0.000 0.282 182 T C 0.372 175.064 174.700 -0.014 0.000 1.025 182 T CA 0.176 62.275 62.100 -0.002 0.000 1.020 182 T CB 1.266 70.132 68.868 -0.004 0.000 1.317 182 T HN 2.047 nan 8.240 nan 0.000 0.538 183 G N -0.046 108.745 108.800 -0.016 0.000 2.512 183 G HA2 0.208 4.168 3.960 -0.000 0.000 0.210 183 G HA3 0.208 4.168 3.960 -0.000 0.000 0.210 183 G C -0.599 174.278 174.900 -0.038 0.000 1.295 183 G CA -0.307 44.782 45.100 -0.017 0.000 0.934 183 G HN 1.246 nan 8.290 nan 0.000 0.554 184 T N 0.072 114.591 114.554 -0.059 0.000 2.848 184 T HA 0.602 4.952 4.350 -0.000 0.000 0.285 184 T C -0.284 174.340 174.700 -0.127 0.000 0.995 184 T CA -0.289 61.755 62.100 -0.093 0.000 0.970 184 T CB 1.945 70.749 68.868 -0.107 0.000 0.976 184 T HN 1.019 nan 8.240 nan 0.000 0.441 185 V N 2.680 122.519 119.914 -0.125 0.000 2.398 185 V HA 0.741 4.861 4.120 -0.000 0.000 0.286 185 V C 0.115 176.129 176.094 -0.132 0.000 1.026 185 V CA -0.876 61.346 62.300 -0.130 0.000 0.868 185 V CB 1.380 33.100 31.823 -0.171 0.000 0.982 185 V HN 1.068 nan 8.190 nan 0.000 0.443 186 A N 3.182 125.909 122.820 -0.155 0.000 2.258 186 A HA 0.535 4.855 4.320 -0.000 0.000 0.316 186 A C -0.304 177.291 177.584 0.019 0.000 1.279 186 A CA -0.427 51.564 52.037 -0.077 0.000 0.876 186 A CB 0.434 19.374 19.000 -0.100 0.000 1.170 186 A HN 0.744 nan 8.150 nan 0.000 0.520 187 D N 3.337 123.761 120.400 0.040 0.000 2.441 187 D HA 0.285 4.925 4.640 -0.000 0.000 0.221 187 D C -0.383 175.995 176.300 0.129 0.000 1.156 187 D CA 0.113 54.173 54.000 0.099 0.000 0.896 187 D CB 0.818 41.671 40.800 0.089 0.000 1.028 187 D HN 0.179 nan 8.370 nan 0.000 0.509 188 V N 3.260 123.263 119.914 0.148 0.000 2.439 188 V HA 0.367 4.487 4.120 -0.000 0.000 0.271 188 V C 1.484 177.714 176.094 0.227 0.000 1.040 188 V CA 0.132 62.541 62.300 0.181 0.000 1.002 188 V CB 0.731 32.630 31.823 0.127 0.000 1.000 188 V HN 0.819 nan 8.190 nan 0.000 0.477 189 G N 4.323 113.324 108.800 0.334 0.000 2.272 189 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.280 189 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.280 189 G C 0.758 175.799 174.900 0.234 0.000 1.067 189 G CA 0.060 45.384 45.100 0.374 0.000 0.902 189 G HN 1.319 nan 8.290 nan 0.000 0.500 190 G N -0.617 108.292 108.800 0.182 0.000 3.124 190 G HA2 0.531 4.491 3.960 -0.000 0.000 0.212 190 G HA3 0.531 4.491 3.960 -0.000 0.000 0.212 190 G C 1.652 176.638 174.900 0.142 0.000 1.181 190 G CA 1.372 46.567 45.100 0.159 0.000 0.803 190 G HN 2.010 nan 8.290 nan 0.000 0.529 191 G N 0.965 109.851 108.800 0.142 0.000 2.591 191 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.298 191 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.298 191 G C 1.078 176.043 174.900 0.109 0.000 1.195 191 G CA 0.404 45.578 45.100 0.124 0.000 0.989 191 G HN 0.485 nan 8.290 nan 0.000 0.551 192 R N 1.839 122.401 120.500 0.104 0.000 2.310 192 R HA 0.373 4.713 4.340 -0.000 0.000 0.202 192 R C 1.906 178.262 176.300 0.093 0.000 0.933 192 R CA 1.100 57.262 56.100 0.104 0.000 1.054 192 R CB 0.059 30.412 30.300 0.089 0.000 0.985 192 R HN 1.993 nan 8.270 nan 0.000 0.489 193 G N -0.186 108.662 108.800 0.079 0.000 2.144 193 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 193 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 193 G C 0.866 175.775 174.900 0.015 0.000 0.988 193 G CA -0.003 45.119 45.100 0.037 0.000 0.659 193 G HN 0.449 nan 8.290 nan 0.000 0.522 194 G N 0.468 109.310 108.800 0.070 0.000 2.476 194 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.218 194 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.218 194 G C 1.491 176.343 174.900 -0.079 0.000 1.164 194 G CA 1.783 46.943 45.100 0.099 0.000 0.768 194 G HN 0.793 nan 8.290 nan 0.000 0.560 195 F N 0.959 120.649 119.950 -0.434 0.000 2.113 195 F HA 0.063 4.590 4.527 -0.000 0.000 0.297 195 F C 2.271 177.868 175.800 -0.339 0.000 1.103 195 F CA 0.962 58.529 58.000 -0.722 0.000 1.248 195 F CB -0.569 38.134 39.000 -0.494 0.000 0.999 195 F HN 0.104 nan 8.300 nan 0.000 0.475 196 L N 0.096 121.117 121.223 -0.338 0.000 2.079 196 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 196 L C 2.210 178.886 176.870 -0.324 0.000 1.081 196 L CA 1.537 56.140 54.840 -0.395 0.000 0.752 196 L CB -1.285 40.665 42.059 -0.183 0.000 0.896 196 L HN 0.309 nan 8.230 nan 0.000 0.433 197 L N -0.889 120.208 121.223 -0.210 0.000 1.989 197 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 197 L C 2.380 179.154 176.870 -0.160 0.000 1.071 197 L CA 2.585 57.337 54.840 -0.146 0.000 0.749 197 L CB -1.237 40.771 42.059 -0.086 0.000 0.890 197 L HN 0.350 nan 8.230 nan 0.000 0.431 198 T N -0.998 113.449 114.554 -0.177 0.000 2.665 198 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 198 T C 1.978 176.554 174.700 -0.207 0.000 1.035 198 T CA 1.785 63.806 62.100 -0.131 0.000 1.151 198 T CB -0.565 68.278 68.868 -0.042 0.000 0.862 198 T HN 0.225 nan 8.240 nan 0.000 0.438 199 V N 1.555 121.213 119.914 -0.427 0.000 2.287 199 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 199 V C 2.497 178.473 176.094 -0.196 0.000 1.053 199 V CA 1.574 63.600 62.300 -0.457 0.000 1.027 199 V CB -0.721 30.508 31.823 -0.989 0.000 0.646 199 V HN 0.454 nan 8.190 nan 0.000 0.447 200 L N -0.793 120.307 121.223 -0.206 0.000 2.141 200 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 200 L C 2.738 179.576 176.870 -0.053 0.000 1.094 200 L CA 1.363 56.145 54.840 -0.096 0.000 0.763 200 L CB -0.560 41.453 42.059 -0.076 0.000 0.908 200 L HN 0.238 nan 8.230 nan 0.000 0.437 201 R N -0.256 120.199 120.500 -0.075 0.000 2.115 201 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 201 R C 2.052 178.298 176.300 -0.090 0.000 1.111 201 R CA 0.803 56.867 56.100 -0.060 0.000 0.976 201 R CB -0.044 30.225 30.300 -0.051 0.000 0.870 201 R HN 0.280 nan 8.270 nan 0.000 0.445 202 E N -0.026 120.089 120.200 -0.141 0.000 2.285 202 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 202 E C -0.104 176.177 176.600 -0.531 0.000 0.997 202 E CA 0.938 57.154 56.400 -0.307 0.000 0.845 202 E CB 0.196 29.689 29.700 -0.346 0.000 0.782 202 E HN 0.472 nan 8.360 nan 0.000 0.491 203 H N -0.679 118.357 119.070 -0.057 0.000 2.541 203 H HA 0.190 4.746 4.556 -0.000 0.000 0.246 203 H C -1.904 173.402 175.328 -0.037 0.000 1.341 203 H CA -1.688 54.338 56.048 -0.037 0.000 1.469 203 H CB 1.325 31.061 29.762 -0.042 0.000 1.472 203 H HN -0.095 nan 8.280 nan 0.000 0.503 204 P HA -0.182 nan 4.420 nan 0.000 0.217 204 P C 1.665 178.984 177.300 0.031 0.000 1.151 204 P CA 1.652 64.765 63.100 0.022 0.000 0.849 204 P CB 0.319 32.025 31.700 0.010 0.000 0.787 205 G N -2.037 106.789 108.800 0.043 0.000 3.042 205 G HA2 0.117 4.077 3.960 -0.000 0.000 0.212 205 G HA3 0.117 4.077 3.960 -0.000 0.000 0.212 205 G C 0.170 175.082 174.900 0.020 0.000 1.166 205 G CA -0.061 45.056 45.100 0.029 0.000 0.767 205 G HN 0.166 nan 8.290 nan 0.000 0.546 206 L N 1.037 122.276 121.223 0.026 0.000 2.350 206 L HA 0.428 4.767 4.340 -0.000 0.000 0.275 206 L C -0.272 176.585 176.870 -0.021 0.000 1.099 206 L CA -0.672 54.163 54.840 -0.008 0.000 0.808 206 L CB 1.379 43.421 42.059 -0.028 0.000 1.149 206 L HN 0.048 nan 8.230 nan 0.000 0.442 207 Q N 3.070 122.848 119.800 -0.036 0.000 2.226 207 Q HA 0.701 5.041 4.340 -0.000 0.000 0.256 207 Q C -0.345 175.624 176.000 -0.053 0.000 0.962 207 Q CA -0.595 55.188 55.803 -0.033 0.000 0.887 207 Q CB 1.818 30.533 28.738 -0.038 0.000 1.282 207 Q HN 0.860 nan 8.270 nan 0.000 0.449 208 G N -0.395 108.390 108.800 -0.025 0.000 2.620 208 G HA2 0.528 4.488 3.960 -0.000 0.000 0.301 208 G HA3 0.528 4.488 3.960 -0.000 0.000 0.301 208 G C -1.615 173.289 174.900 0.006 0.000 1.347 208 G CA -0.508 44.569 45.100 -0.039 0.000 0.971 208 G HN 0.348 nan 8.290 nan 0.000 0.488 209 V N 3.224 123.129 119.914 -0.015 0.000 2.525 209 V HA 0.697 4.817 4.120 -0.000 0.000 0.299 209 V C -1.172 174.934 176.094 0.020 0.000 1.034 209 V CA -0.910 61.398 62.300 0.013 0.000 0.863 209 V CB 1.294 33.115 31.823 -0.004 0.000 0.999 209 V HN 0.856 nan 8.190 nan 0.000 0.423 210 L N 7.474 128.718 121.223 0.035 0.000 2.292 210 L HA 0.682 5.022 4.340 -0.000 0.000 0.284 210 L C -0.896 176.003 176.870 0.049 0.000 1.065 210 L CA 0.138 54.999 54.840 0.035 0.000 0.806 210 L CB 1.373 43.438 42.059 0.009 0.000 1.175 210 L HN 0.785 nan 8.230 nan 0.000 0.431 211 L N 5.499 126.769 121.223 0.077 0.000 2.356 211 L HA 0.654 4.994 4.340 -0.000 0.000 0.277 211 L C -1.230 175.699 176.870 0.099 0.000 0.996 211 L CA -0.064 54.826 54.840 0.084 0.000 0.822 211 L CB 1.153 43.276 42.059 0.107 0.000 1.256 211 L HN 0.787 nan 8.230 nan 0.000 0.413 212 D N 2.466 122.900 120.400 0.057 0.000 2.792 212 D HA 0.271 4.911 4.640 -0.000 0.000 0.335 212 D C -0.996 175.304 176.300 -0.001 0.000 1.353 212 D CA -0.660 53.365 54.000 0.042 0.000 0.839 212 D CB 1.821 42.670 40.800 0.081 0.000 1.396 212 D HN 0.458 nan 8.370 nan 0.000 0.479 213 R N 0.119 120.612 120.500 -0.012 0.000 2.694 213 R HA 0.428 4.768 4.340 -0.000 0.000 0.268 213 R C 1.130 177.438 176.300 0.014 0.000 1.061 213 R CA 0.450 56.541 56.100 -0.016 0.000 1.133 213 R CB 0.490 30.782 30.300 -0.014 0.000 1.020 213 R HN 0.438 nan 8.270 nan 0.000 0.475 214 A N 2.005 124.832 122.820 0.012 0.000 1.908 214 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 214 A C 2.015 179.620 177.584 0.035 0.000 1.181 214 A CA 1.931 53.983 52.037 0.026 0.000 0.627 214 A CB -0.603 18.409 19.000 0.019 0.000 0.818 214 A HN 0.945 nan 8.150 nan 0.000 0.445 215 E N -0.145 120.071 120.200 0.027 0.000 2.130 215 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 215 E C 1.760 178.385 176.600 0.042 0.000 0.998 215 E CA 1.819 58.236 56.400 0.029 0.000 0.806 215 E CB -0.135 29.578 29.700 0.021 0.000 0.738 215 E HN 0.381 nan 8.360 nan 0.000 0.459 216 V N 1.032 120.976 119.914 0.050 0.000 2.535 216 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 216 V C 2.432 178.578 176.094 0.087 0.000 1.045 216 V CA 1.324 63.665 62.300 0.068 0.000 1.058 216 V CB 0.332 32.198 31.823 0.072 0.000 0.689 216 V HN 0.437 nan 8.190 nan 0.000 0.461 217 V N -1.419 118.549 119.914 0.090 0.000 3.573 217 V HA 0.285 4.405 4.120 -0.000 0.000 0.270 217 V C 2.127 178.326 176.094 0.175 0.000 1.221 217 V CA 1.132 63.511 62.300 0.132 0.000 1.163 217 V CB -0.720 31.161 31.823 0.095 0.000 0.847 217 V HN 0.309 nan 8.190 nan 0.000 0.468 218 A N 1.453 124.339 122.820 0.109 0.000 2.119 218 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 218 A C 2.293 179.900 177.584 0.039 0.000 1.153 218 A CA 1.185 53.272 52.037 0.084 0.000 0.692 218 A CB -0.287 18.742 19.000 0.050 0.000 0.799 218 A HN 0.649 nan 8.150 nan 0.000 0.458 219 R N -0.482 120.042 120.500 0.040 0.000 2.362 219 R HA 0.131 4.471 4.340 -0.000 0.000 0.227 219 R C 0.312 176.572 176.300 -0.066 0.000 0.905 219 R CA 0.166 56.259 56.100 -0.012 0.000 1.067 219 R CB -0.323 29.996 30.300 0.032 0.000 1.078 219 R HN 0.816 nan 8.270 nan 0.000 0.516 220 H N 1.840 120.897 119.070 -0.022 0.000 3.107 220 H HA -0.093 4.463 4.556 -0.000 0.000 0.342 220 H C 0.501 175.758 175.328 -0.118 0.000 1.076 220 H CA 0.185 56.197 56.048 -0.060 0.000 1.356 220 H CB 0.559 30.277 29.762 -0.074 0.000 1.281 220 H HN 0.112 nan 8.280 nan 0.000 0.604 221 R N 3.380 123.861 120.500 -0.031 0.000 2.700 221 R HA 0.258 4.598 4.340 -0.000 0.000 0.377 221 R C -0.064 176.160 176.300 -0.127 0.000 1.130 221 R CA -0.221 55.803 56.100 -0.127 0.000 1.055 221 R CB -0.075 30.189 30.300 -0.060 0.000 1.387 221 R HN 0.611 nan 8.270 nan 0.000 0.580 222 L N -0.033 121.157 121.223 -0.055 0.000 2.529 222 L HA 0.109 4.449 4.340 -0.000 0.000 0.223 222 L C 0.796 177.107 176.870 -0.931 0.000 1.113 222 L CA 0.320 54.893 54.840 -0.445 0.000 0.861 222 L CB 0.205 41.928 42.059 -0.559 0.000 1.012 222 L HN 0.232 nan 8.230 nan 0.000 0.461 223 D N 1.464 121.431 120.400 -0.721 0.000 2.856 223 D HA 0.141 4.781 4.640 -0.000 0.000 0.242 223 D C 0.374 176.549 176.300 -0.209 0.000 1.226 223 D CA 0.016 53.699 54.000 -0.527 0.000 0.855 223 D CB 0.023 40.679 40.800 -0.240 0.000 1.065 223 D HN 0.147 nan 8.370 nan 0.000 0.462 224 A N 0.503 123.198 122.820 -0.207 0.000 2.293 224 A HA 0.512 4.832 4.320 -0.000 0.000 0.302 224 A C -1.423 176.158 177.584 -0.005 0.000 1.119 224 A CA -1.114 50.873 52.037 -0.084 0.000 0.823 224 A CB 0.841 19.789 19.000 -0.086 0.000 1.097 224 A HN 0.048 nan 8.150 nan 0.000 0.491 225 P HA -0.127 nan 4.420 nan 0.000 0.216 225 P C 0.450 177.773 177.300 0.038 0.000 1.150 225 P CA 1.201 64.323 63.100 0.036 0.000 0.837 225 P CB 0.163 31.876 31.700 0.021 0.000 0.786 226 D N -0.873 119.538 120.400 0.018 0.000 2.221 226 D HA -0.099 4.541 4.640 -0.000 0.000 0.204 226 D C 1.281 177.601 176.300 0.033 0.000 0.982 226 D CA 1.267 55.276 54.000 0.015 0.000 0.857 226 D CB -0.084 40.714 40.800 -0.003 0.000 0.934 226 D HN 0.182 nan 8.370 nan 0.000 0.475 227 V N -2.788 117.162 119.914 0.059 0.000 2.988 227 V HA 0.609 4.729 4.120 -0.000 0.000 0.356 227 V C 0.413 176.659 176.094 0.253 0.000 1.380 227 V CA -0.672 61.698 62.300 0.116 0.000 1.184 227 V CB -0.107 31.771 31.823 0.091 0.000 1.204 227 V HN -0.004 nan 8.190 nan 0.000 0.530 228 A N 0.890 123.829 122.820 0.199 0.000 2.546 228 A HA 0.486 4.805 4.320 -0.000 0.000 0.243 228 A C 1.704 179.373 177.584 0.142 0.000 1.063 228 A CA 0.978 53.154 52.037 0.231 0.000 0.757 228 A CB -0.687 18.397 19.000 0.139 0.000 0.991 228 A HN 2.190 nan 8.150 nan 0.000 0.503 229 G N 2.201 111.040 108.800 0.066 0.000 2.168 229 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 229 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 229 G C 0.643 175.501 174.900 -0.070 0.000 0.997 229 G CA 0.818 45.876 45.100 -0.071 0.000 0.708 229 G HN 0.906 nan 8.290 nan 0.000 0.520 230 R N -0.811 119.694 120.500 0.009 0.000 2.549 230 R HA 0.231 4.571 4.340 -0.000 0.000 0.344 230 R C 0.542 176.891 176.300 0.082 0.000 0.979 230 R CA 0.087 56.205 56.100 0.029 0.000 1.140 230 R CB 0.589 30.927 30.300 0.064 0.000 1.377 230 R HN 0.648 nan 8.270 nan 0.000 0.541 231 W N 0.565 121.841 121.300 -0.041 0.000 2.975 231 W HA 0.697 5.357 4.660 -0.000 0.000 0.342 231 W C -1.480 175.002 176.519 -0.062 0.000 1.168 231 W CA -0.960 56.351 57.345 -0.058 0.000 1.141 231 W CB 1.183 30.613 29.460 -0.050 0.000 1.445 231 W HN -0.311 nan 8.180 nan 0.000 0.560 232 K N 1.605 122.124 120.400 0.197 0.000 2.569 232 K HA 0.448 4.768 4.320 -0.000 0.000 0.259 232 K C -2.417 174.278 176.600 0.158 0.000 0.932 232 K CA -0.487 55.789 56.287 -0.018 0.000 0.833 232 K CB 2.599 35.025 32.500 -0.124 0.000 1.340 232 K HN 0.408 nan 8.250 nan 0.000 0.429 233 V N 3.278 123.277 119.914 0.143 0.000 2.555 233 V HA 0.552 4.672 4.120 -0.000 0.000 0.302 233 V C -0.788 175.327 176.094 0.036 0.000 1.038 233 V CA -0.843 61.490 62.300 0.055 0.000 0.887 233 V CB 1.833 33.606 31.823 -0.082 0.000 0.991 233 V HN 0.529 nan 8.190 nan 0.000 0.434 234 V N 3.857 123.789 119.914 0.029 0.000 2.483 234 V HA 0.367 4.487 4.120 -0.000 0.000 0.297 234 V C -0.136 175.974 176.094 0.027 0.000 1.027 234 V CA -0.710 61.606 62.300 0.028 0.000 0.855 234 V CB 1.950 33.789 31.823 0.028 0.000 0.995 234 V HN 0.962 nan 8.190 nan 0.000 0.424 235 E N 3.163 123.377 120.200 0.025 0.000 2.316 235 E HA 0.607 4.957 4.350 -0.000 0.000 0.275 235 E C 0.425 177.025 176.600 0.001 0.000 1.029 235 E CA 0.175 56.584 56.400 0.015 0.000 0.871 235 E CB 1.526 31.237 29.700 0.019 0.000 1.022 235 E HN 0.898 nan 8.360 nan 0.000 0.418 236 G N 1.908 110.696 108.800 -0.020 0.000 2.340 236 G HA2 0.219 4.179 3.960 -0.000 0.000 0.299 236 G HA3 0.219 4.179 3.960 -0.000 0.000 0.299 236 G C -1.851 172.988 174.900 -0.102 0.000 1.291 236 G CA -0.690 44.388 45.100 -0.038 0.000 0.841 236 G HN 0.456 nan 8.290 nan 0.000 0.500 237 D N -0.377 119.955 120.400 -0.113 0.000 2.575 237 D HA 0.421 5.061 4.640 -0.000 0.000 0.250 237 D C 0.816 177.026 176.300 -0.151 0.000 1.279 237 D CA -0.898 52.967 54.000 -0.225 0.000 0.925 237 D CB 0.968 41.678 40.800 -0.150 0.000 1.261 237 D HN 0.276 nan 8.370 nan 0.000 0.567 238 F N 2.650 122.560 119.950 -0.066 0.000 2.805 238 F HA 0.198 4.725 4.527 -0.000 0.000 0.301 238 F C 0.985 176.681 175.800 -0.174 0.000 1.196 238 F CA -0.158 57.777 58.000 -0.109 0.000 1.439 238 F CB -0.928 38.004 39.000 -0.113 0.000 1.117 238 F HN 0.278 nan 8.300 nan 0.000 0.581 239 L N -0.568 120.729 121.223 0.123 0.000 2.529 239 L HA 0.198 4.538 4.340 -0.000 0.000 0.223 239 L C 2.445 179.308 176.870 -0.011 0.000 1.113 239 L CA 0.382 55.233 54.840 0.019 0.000 0.861 239 L CB -0.274 41.758 42.059 -0.046 0.000 1.012 239 L HN 0.138 nan 8.230 nan 0.000 0.461 240 R N 0.752 121.247 120.500 -0.008 0.000 2.140 240 R HA 0.122 4.462 4.340 -0.000 0.000 0.200 240 R C -0.038 176.257 176.300 -0.007 0.000 1.069 240 R CA 0.487 56.580 56.100 -0.013 0.000 1.088 240 R CB 0.707 30.997 30.300 -0.017 0.000 1.012 240 R HN 0.392 nan 8.270 nan 0.000 0.500 241 E N -0.642 119.562 120.200 0.007 0.000 2.388 241 E HA 0.371 4.721 4.350 -0.000 0.000 0.281 241 E C -1.404 175.220 176.600 0.040 0.000 1.046 241 E CA -1.039 55.368 56.400 0.012 0.000 0.825 241 E CB 1.633 31.339 29.700 0.009 0.000 1.243 241 E HN -0.012 nan 8.360 nan 0.000 0.438 242 V N -1.853 118.087 119.914 0.042 0.000 3.001 242 V HA 0.736 4.856 4.120 -0.000 0.000 0.314 242 V C -2.807 173.356 176.094 0.114 0.000 1.099 242 V CA -2.494 59.856 62.300 0.084 0.000 0.989 242 V CB 1.257 33.125 31.823 0.076 0.000 1.040 242 V HN 0.634 nan 8.190 nan 0.000 0.434 243 P HA 0.238 nan 4.420 nan 0.000 0.272 243 P C -0.914 176.519 177.300 0.223 0.000 1.230 243 P CA 0.161 63.343 63.100 0.137 0.000 0.788 243 P CB 0.080 31.831 31.700 0.085 0.000 0.949 244 H N 1.143 120.267 119.070 0.090 0.000 2.803 244 H HA 0.525 5.081 4.556 -0.000 0.000 0.330 244 H C -0.700 174.623 175.328 -0.009 0.000 1.057 244 H CA 0.199 56.300 56.048 0.089 0.000 1.458 244 H CB -0.017 29.770 29.762 0.043 0.000 1.470 244 H HN 0.492 nan 8.280 nan 0.000 0.560 245 A N 3.972 126.404 122.820 -0.648 0.000 2.612 245 A HA 0.249 4.569 4.320 -0.000 0.000 0.293 245 A C 0.058 177.287 177.584 -0.592 0.000 1.075 245 A CA -0.469 51.177 52.037 -0.653 0.000 0.680 245 A CB 1.114 19.694 19.000 -0.699 0.000 1.279 245 A HN 0.795 nan 8.150 nan 0.000 0.411 246 D N -0.439 119.755 120.400 -0.344 0.000 2.289 246 D HA 0.138 4.778 4.640 -0.000 0.000 0.207 246 D C 0.022 176.243 176.300 -0.131 0.000 0.966 246 D CA 1.520 55.426 54.000 -0.156 0.000 0.868 246 D CB 0.517 41.345 40.800 0.047 0.000 0.943 246 D HN 0.215 nan 8.370 nan 0.000 0.514 247 V N 0.819 120.620 119.914 -0.190 0.000 2.668 247 V HA 0.188 4.308 4.120 -0.000 0.000 0.304 247 V C -1.079 174.903 176.094 -0.188 0.000 1.071 247 V CA -0.786 61.464 62.300 -0.084 0.000 0.894 247 V CB 2.057 33.926 31.823 0.078 0.000 1.008 247 V HN 0.005 nan 8.190 nan 0.000 0.425 248 H N 2.171 121.250 119.070 0.014 0.000 2.458 248 H HA 0.757 5.313 4.556 -0.000 0.000 0.330 248 H C -0.510 174.857 175.328 0.064 0.000 1.111 248 H CA -0.495 55.564 56.048 0.018 0.000 1.245 248 H CB 2.012 31.755 29.762 -0.031 0.000 1.456 248 H HN 0.435 nan 8.280 nan 0.000 0.488 249 V N 4.799 124.832 119.914 0.199 0.000 2.540 249 V HA 0.251 4.371 4.120 -0.000 0.000 0.302 249 V C -0.468 175.707 176.094 0.136 0.000 1.035 249 V CA -0.693 61.730 62.300 0.206 0.000 0.873 249 V CB 1.585 33.597 31.823 0.314 0.000 0.992 249 V HN 0.591 nan 8.190 nan 0.000 0.428 250 L N 5.145 126.417 121.223 0.081 0.000 2.408 250 L HA 0.506 4.846 4.340 -0.000 0.000 0.257 250 L C -0.103 176.769 176.870 0.003 0.000 1.053 250 L CA -0.220 54.623 54.840 0.006 0.000 0.922 250 L CB 1.114 43.125 42.059 -0.079 0.000 1.261 250 L HN 0.544 nan 8.230 nan 0.000 0.458 251 K N 3.461 123.874 120.400 0.021 0.000 2.234 251 K HA 0.432 4.752 4.320 -0.000 0.000 0.277 251 K C 0.086 176.657 176.600 -0.049 0.000 1.038 251 K CA -0.492 55.776 56.287 -0.032 0.000 0.888 251 K CB 0.559 33.012 32.500 -0.078 0.000 1.091 251 K HN 0.381 nan 8.250 nan 0.000 0.467 252 R N 3.435 123.851 120.500 -0.139 0.000 3.333 252 R HA -0.178 4.162 4.340 -0.000 0.000 0.256 252 R C 0.354 176.508 176.300 -0.243 0.000 1.010 252 R CA 0.253 56.174 56.100 -0.299 0.000 0.680 252 R CB -1.289 28.996 30.300 -0.026 0.000 1.102 252 R HN 0.628 nan 8.270 nan 0.000 0.440 253 I N -0.946 119.511 120.570 -0.187 0.000 3.366 253 I HA -0.050 4.120 4.170 -0.000 0.000 0.267 253 I C 2.328 178.523 176.117 0.129 0.000 1.149 253 I CA 0.560 61.867 61.300 0.012 0.000 1.436 253 I CB -0.679 37.269 38.000 -0.088 0.000 1.379 253 I HN 0.193 nan 8.210 nan 0.000 0.460 254 L N 1.350 122.577 121.223 0.007 0.000 2.141 254 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 254 L C 2.422 179.430 176.870 0.231 0.000 1.094 254 L CA 1.338 56.255 54.840 0.128 0.000 0.763 254 L CB -0.985 41.107 42.059 0.055 0.000 0.908 254 L HN 0.475 nan 8.230 nan 0.000 0.437 255 H N -1.871 117.284 119.070 0.143 0.000 2.563 255 H HA 0.002 4.557 4.556 -0.000 0.000 0.272 255 H C 1.113 176.479 175.328 0.064 0.000 1.005 255 H CA 0.276 56.383 56.048 0.099 0.000 1.171 255 H CB -0.838 28.970 29.762 0.076 0.000 1.351 255 H HN 0.272 nan 8.280 nan 0.000 0.602 256 N N -0.675 118.257 118.700 0.386 0.000 2.205 256 N HA 0.058 4.798 4.740 -0.000 0.000 0.201 256 N C -0.958 174.362 175.510 -0.316 0.000 1.128 256 N CA 0.045 53.104 53.050 0.015 0.000 0.867 256 N CB 0.449 38.887 38.487 -0.081 0.000 0.996 256 N HN 0.325 nan 8.380 nan 0.000 0.503 257 W N 0.376 121.741 121.300 0.109 0.000 2.864 257 W HA 0.648 5.308 4.660 -0.000 0.000 0.343 257 W C 0.702 177.257 176.519 0.060 0.000 1.109 257 W CA -1.006 56.385 57.345 0.077 0.000 1.192 257 W CB 0.709 30.202 29.460 0.055 0.000 1.426 257 W HN -0.207 nan 8.180 nan 0.000 0.529 258 G N 0.780 109.762 108.800 0.304 0.000 2.634 258 G HA2 0.030 3.990 3.960 -0.000 0.000 0.255 258 G HA3 0.030 3.990 3.960 -0.000 0.000 0.255 258 G C 0.530 175.531 174.900 0.168 0.000 1.205 258 G CA -0.315 44.897 45.100 0.187 0.000 0.884 258 G HN 0.613 nan 8.290 nan 0.000 0.549 259 D N -0.048 120.419 120.400 0.112 0.000 2.149 259 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 259 D C 2.049 178.389 176.300 0.067 0.000 0.990 259 D CA 1.379 55.430 54.000 0.084 0.000 0.839 259 D CB 0.229 41.068 40.800 0.065 0.000 0.948 259 D HN 0.653 nan 8.370 nan 0.000 0.460 260 E N 0.731 120.974 120.200 0.072 0.000 2.007 260 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 260 E C 1.781 178.402 176.600 0.035 0.000 0.999 260 E CA 0.855 57.286 56.400 0.051 0.000 0.811 260 E CB 0.024 29.759 29.700 0.059 0.000 0.762 260 E HN 0.205 nan 8.360 nan 0.000 0.450 261 D N 0.444 120.890 120.400 0.077 0.000 2.149 261 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 261 D C 2.114 178.349 176.300 -0.109 0.000 0.990 261 D CA 0.908 54.914 54.000 0.011 0.000 0.839 261 D CB -0.281 40.626 40.800 0.179 0.000 0.948 261 D HN -0.020 nan 8.370 nan 0.000 0.460 262 S N 0.081 115.767 115.700 -0.024 0.000 2.359 262 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 262 S C 2.336 176.858 174.600 -0.129 0.000 1.035 262 S CA 0.646 58.797 58.200 -0.080 0.000 1.018 262 S CB -0.249 62.967 63.200 0.026 0.000 0.876 262 S HN 0.105 nan 8.310 nan 0.000 0.448 263 V N 1.908 121.777 119.914 -0.076 0.000 2.407 263 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 263 V C 2.508 178.530 176.094 -0.120 0.000 1.055 263 V CA 1.810 64.057 62.300 -0.088 0.000 1.049 263 V CB -0.628 31.170 31.823 -0.041 0.000 0.662 263 V HN 0.280 nan 8.190 nan 0.000 0.455 264 R N 0.757 121.188 120.500 -0.116 0.000 2.073 264 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 264 R C 1.984 178.185 176.300 -0.164 0.000 1.134 264 R CA 1.850 57.879 56.100 -0.119 0.000 0.952 264 R CB -0.764 29.476 30.300 -0.099 0.000 0.850 264 R HN 0.517 nan 8.270 nan 0.000 0.433 265 I N 0.228 120.650 120.570 -0.246 0.000 2.127 265 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 265 I C 2.168 178.113 176.117 -0.287 0.000 1.075 265 I CA 1.421 62.529 61.300 -0.319 0.000 1.334 265 I CB -0.385 37.281 38.000 -0.556 0.000 1.040 265 I HN 0.136 nan 8.210 nan 0.000 0.405 266 L N 0.043 121.089 121.223 -0.295 0.000 2.046 266 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 266 L C 2.692 179.406 176.870 -0.260 0.000 1.077 266 L CA 1.604 56.250 54.840 -0.324 0.000 0.747 266 L CB -1.062 40.764 42.059 -0.388 0.000 0.896 266 L HN 0.269 nan 8.230 nan 0.000 0.432 267 T N -0.309 114.127 114.554 -0.195 0.000 2.684 267 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 267 T C 1.706 176.318 174.700 -0.146 0.000 1.036 267 T CA 1.622 63.634 62.100 -0.147 0.000 1.148 267 T CB -0.329 68.476 68.868 -0.104 0.000 0.863 267 T HN 0.316 nan 8.240 nan 0.000 0.436 268 N N 0.721 119.334 118.700 -0.144 0.000 2.205 268 N HA -0.080 4.660 4.740 -0.000 0.000 0.186 268 N C 2.042 177.443 175.510 -0.181 0.000 1.015 268 N CA 0.954 53.930 53.050 -0.123 0.000 0.862 268 N CB -0.796 37.639 38.487 -0.087 0.000 0.986 268 N HN 0.451 nan 8.380 nan 0.000 0.429 269 C N 0.525 119.657 119.300 -0.281 0.000 2.489 269 C HA 0.021 4.481 4.460 -0.000 0.000 0.279 269 C C 2.754 177.499 174.990 -0.409 0.000 1.266 269 C CA 0.187 58.897 59.018 -0.513 0.000 1.707 269 C CB -0.869 26.536 27.740 -0.559 0.000 2.059 269 C HN 0.408 nan 8.230 nan 0.000 0.481 270 R N 1.504 121.845 120.500 -0.266 0.000 2.117 270 R HA -0.135 4.205 4.340 -0.000 0.000 0.243 270 R C 2.132 178.369 176.300 -0.106 0.000 1.143 270 R CA 1.667 57.667 56.100 -0.167 0.000 0.968 270 R CB -0.632 29.585 30.300 -0.138 0.000 0.863 270 R HN 0.508 nan 8.270 nan 0.000 0.444 271 R N -0.327 120.113 120.500 -0.100 0.000 2.073 271 R HA -0.037 4.303 4.340 -0.000 0.000 0.234 271 R C 1.043 177.335 176.300 -0.014 0.000 1.134 271 R CA 1.547 57.615 56.100 -0.053 0.000 0.952 271 R CB -0.396 29.874 30.300 -0.050 0.000 0.850 271 R HN 0.274 nan 8.270 nan 0.000 0.433 275 A N 0.375 123.152 122.820 -0.072 0.000 1.940 275 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 275 A C 1.681 179.264 177.584 -0.002 0.000 1.176 275 A CA 2.034 54.070 52.037 -0.003 0.000 0.631 275 A CB -1.214 17.826 19.000 0.067 0.000 0.814 275 A HN 0.769 nan 8.150 nan 0.000 0.446 276 H N -1.220 117.867 119.070 0.029 0.000 2.539 276 H HA 0.293 4.849 4.556 -0.000 0.000 0.269 276 H C 0.852 176.189 175.328 0.015 0.000 0.980 276 H CA 0.378 56.436 56.048 0.017 0.000 1.152 276 H CB -0.662 29.106 29.762 0.011 0.000 1.407 276 H HN 0.315 nan 8.280 nan 0.000 0.564 277 G N 1.410 110.024 108.800 -0.310 0.000 2.616 277 G HA2 0.480 4.440 3.960 -0.000 0.000 0.268 277 G HA3 0.480 4.440 3.960 -0.000 0.000 0.268 277 G C -0.273 174.604 174.900 -0.037 0.000 1.213 277 G CA -0.815 44.170 45.100 -0.192 0.000 0.926 277 G HN 0.522 nan 8.290 nan 0.000 0.523 278 R N -1.968 118.541 120.500 0.015 0.000 2.634 278 R HA 0.507 4.847 4.340 -0.000 0.000 0.263 278 R C -2.273 174.076 176.300 0.081 0.000 1.060 278 R CA -0.892 55.231 56.100 0.038 0.000 0.898 278 R CB 1.573 31.885 30.300 0.019 0.000 1.253 278 R HN 0.635 nan 8.270 nan 0.000 0.461 279 V N 3.954 123.903 119.914 0.059 0.000 2.384 279 V HA 0.446 4.566 4.120 -0.000 0.000 0.287 279 V C -0.657 175.481 176.094 0.073 0.000 1.020 279 V CA -0.891 61.443 62.300 0.057 0.000 0.850 279 V CB 1.380 33.159 31.823 -0.074 0.000 0.987 279 V HN 0.668 nan 8.190 nan 0.000 0.436 280 L N 7.612 128.888 121.223 0.089 0.000 2.270 280 L HA 0.430 4.770 4.340 -0.000 0.000 0.286 280 L C -0.285 176.643 176.870 0.098 0.000 1.059 280 L CA -0.629 54.266 54.840 0.092 0.000 0.839 280 L CB 1.414 43.525 42.059 0.086 0.000 1.221 280 L HN 0.385 nan 8.230 nan 0.000 0.431 281 V N 5.597 125.585 119.914 0.124 0.000 2.387 281 V HA 0.187 4.307 4.120 -0.000 0.000 0.260 281 V C 0.517 176.654 176.094 0.073 0.000 1.054 281 V CA 0.133 62.498 62.300 0.108 0.000 0.967 281 V CB 0.658 32.616 31.823 0.225 0.000 1.036 281 V HN 0.499 nan 8.190 nan 0.000 0.481 282 I N 5.203 125.793 120.570 0.033 0.000 2.330 282 I HA 0.529 4.698 4.170 -0.000 0.000 0.286 282 I C -0.314 175.791 176.117 -0.020 0.000 1.025 282 I CA 0.072 61.375 61.300 0.005 0.000 1.197 282 I CB 0.960 38.942 38.000 -0.030 0.000 1.358 282 I HN 0.524 nan 8.210 nan 0.000 0.467 283 D N 3.687 124.091 120.400 0.007 0.000 2.677 283 D HA 0.379 5.019 4.640 -0.000 0.000 0.298 283 D C -0.692 175.648 176.300 0.067 0.000 1.250 283 D CA -0.524 53.489 54.000 0.023 0.000 0.888 283 D CB 2.185 42.993 40.800 0.013 0.000 1.397 283 D HN 0.397 nan 8.370 nan 0.000 0.461 284 A N 1.038 123.927 122.820 0.115 0.000 2.990 284 A HA 0.403 4.723 4.320 -0.000 0.000 0.282 284 A C 0.066 177.702 177.584 0.085 0.000 1.688 284 A CA -0.286 51.822 52.037 0.119 0.000 1.391 284 A CB -0.768 18.310 19.000 0.131 0.000 1.112 284 A HN 0.233 nan 8.150 nan 0.000 0.588 285 V N 2.782 122.722 119.914 0.042 0.000 2.450 285 V HA -0.019 4.101 4.120 -0.000 0.000 0.281 285 V C 0.650 176.683 176.094 -0.102 0.000 1.019 285 V CA -0.019 62.271 62.300 -0.017 0.000 1.062 285 V CB 0.648 32.449 31.823 -0.037 0.000 0.979 285 V HN 0.461 nan 8.190 nan 0.000 0.477 286 V N 9.395 129.261 119.914 -0.080 0.000 2.479 286 V HA 0.153 4.273 4.120 -0.000 0.000 0.281 286 V C -1.755 174.238 176.094 -0.169 0.000 1.031 286 V CA -1.125 61.097 62.300 -0.128 0.000 1.038 286 V CB 0.807 32.602 31.823 -0.046 0.000 0.981 286 V HN 0.784 nan 8.190 nan 0.000 0.478 287 P HA 0.239 nan 4.420 nan 0.000 0.274 287 P C -0.147 177.087 177.300 -0.111 0.000 1.231 287 P CA -0.515 62.465 63.100 -0.199 0.000 0.790 287 P CB 0.648 32.194 31.700 -0.256 0.000 0.951 288 E N 0.602 120.756 120.200 -0.078 0.000 2.391 288 E HA 0.446 4.796 4.350 -0.000 0.000 0.255 288 E C 0.971 177.547 176.600 -0.040 0.000 1.187 288 E CA 0.471 56.841 56.400 -0.050 0.000 0.941 288 E CB 0.001 29.676 29.700 -0.041 0.000 1.010 288 E HN 0.770 nan 8.360 nan 0.000 0.458 289 G N 1.034 109.818 108.800 -0.026 0.000 2.610 289 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.304 289 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.304 289 G C -0.364 174.529 174.900 -0.012 0.000 1.309 289 G CA -0.170 44.919 45.100 -0.018 0.000 0.906 289 G HN 0.517 nan 8.290 nan 0.000 0.521 290 N N 0.726 119.422 118.700 -0.008 0.000 2.338 290 N HA 0.304 5.044 4.740 -0.000 0.000 0.251 290 N C -0.901 174.609 175.510 -0.001 0.000 1.199 290 N CA -0.365 52.682 53.050 -0.004 0.000 0.879 290 N CB 0.841 39.324 38.487 -0.006 0.000 1.159 290 N HN 0.457 nan 8.380 nan 0.000 0.514 291 D N 0.956 121.359 120.400 0.005 0.000 2.277 291 D HA 0.312 4.952 4.640 -0.000 0.000 0.250 291 D C 0.251 176.570 176.300 0.031 0.000 1.032 291 D CA -0.439 53.569 54.000 0.013 0.000 0.947 291 D CB 1.204 42.014 40.800 0.016 0.000 1.159 291 D HN 0.159 nan 8.370 nan 0.000 0.460 292 A N 1.725 124.558 122.820 0.023 0.000 2.520 292 A HA 0.197 4.517 4.320 -0.000 0.000 0.245 292 A C -0.097 177.535 177.584 0.080 0.000 1.072 292 A CA 0.590 52.640 52.037 0.023 0.000 0.761 292 A CB 0.011 19.002 19.000 -0.015 0.000 1.004 292 A HN 0.622 nan 8.150 nan 0.000 0.499 293 H N 1.667 120.716 119.070 -0.035 0.000 3.137 293 H HA 0.146 4.702 4.556 -0.000 0.000 0.336 293 H C 0.261 175.566 175.328 -0.039 0.000 1.055 293 H CA -0.301 55.727 56.048 -0.032 0.000 1.349 293 H CB 1.308 31.056 29.762 -0.023 0.000 1.939 293 H HN 0.890 nan 8.280 nan 0.000 0.487 294 Q N 2.473 122.139 119.800 -0.224 0.000 2.291 294 Q HA -0.118 4.222 4.340 -0.000 0.000 0.206 294 Q C 1.365 177.375 176.000 0.017 0.000 0.976 294 Q CA 1.679 57.413 55.803 -0.116 0.000 0.875 294 Q CB 0.394 29.018 28.738 -0.189 0.000 0.927 294 Q HN 0.679 nan 8.270 nan 0.000 0.450 295 S N 0.070 115.918 115.700 0.246 0.000 2.400 295 S HA -0.175 4.295 4.470 -0.000 0.000 0.232 295 S C 1.605 176.271 174.600 0.111 0.000 1.025 295 S CA 1.196 59.519 58.200 0.205 0.000 0.993 295 S CB -0.140 63.213 63.200 0.254 0.000 0.808 295 S HN 0.357 nan 8.310 nan 0.000 0.478 296 K N 1.453 121.921 120.400 0.113 0.000 2.103 296 K HA 0.042 4.362 4.320 -0.000 0.000 0.204 296 K C 1.051 177.690 176.600 0.064 0.000 1.052 296 K CA 0.928 57.258 56.287 0.072 0.000 0.945 296 K CB -0.093 32.441 32.500 0.057 0.000 0.722 296 K HN 0.660 nan 8.250 nan 0.000 0.443 304 A N 0.724 123.393 122.820 -0.252 0.000 1.902 304 A HA 0.262 4.582 4.320 -0.000 0.000 0.217 304 A C 2.019 179.599 177.584 -0.006 0.000 1.181 304 A CA 2.082 54.026 52.037 -0.154 0.000 0.623 304 A CB -0.914 18.042 19.000 -0.073 0.000 0.818 304 A HN 0.784 nan 8.150 nan 0.000 0.443 305 A N -1.511 121.376 122.820 0.112 0.000 2.251 305 A HA 0.265 4.585 4.320 -0.000 0.000 0.209 305 A C 0.750 178.450 177.584 0.192 0.000 1.187 305 A CA 0.216 52.368 52.037 0.191 0.000 0.823 305 A CB -0.130 19.048 19.000 0.297 0.000 0.846 305 A HN 0.387 nan 8.150 nan 0.000 0.486 306 R N -0.258 120.292 120.500 0.083 0.000 3.267 306 R HA -0.114 4.226 4.340 -0.000 0.000 0.254 306 R C -0.947 175.379 176.300 0.043 0.000 0.993 306 R CA 1.229 57.365 56.100 0.060 0.000 0.670 306 R CB -3.456 26.908 30.300 0.107 0.000 1.125 306 R HN 0.403 nan 8.270 nan 0.000 0.434 307 T N -0.430 114.134 114.554 0.017 0.000 3.201 307 T HA 0.517 4.867 4.350 -0.000 0.000 0.338 307 T C 0.563 175.233 174.700 -0.049 0.000 1.095 307 T CA 0.138 62.230 62.100 -0.014 0.000 1.426 307 T CB 1.455 70.329 68.868 0.010 0.000 0.956 307 T HN 0.868 nan 8.240 nan 0.000 0.551 308 G N 2.549 111.319 108.800 -0.049 0.000 2.750 308 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.228 308 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.228 308 G C -0.818 174.059 174.900 -0.039 0.000 1.367 308 G CA -0.105 44.969 45.100 -0.043 0.000 0.871 308 G HN 1.033 nan 8.290 nan 0.000 0.560 309 Q N -1.357 118.441 119.800 -0.003 0.000 2.438 309 Q HA 0.614 4.954 4.340 -0.000 0.000 0.272 309 Q C -1.132 174.914 176.000 0.076 0.000 0.994 309 Q CA -1.105 54.706 55.803 0.013 0.000 0.887 309 Q CB 1.818 30.569 28.738 0.022 0.000 1.432 309 Q HN 0.528 nan 8.270 nan 0.000 0.392 310 E N 1.899 122.138 120.200 0.066 0.000 2.343 310 E HA 0.361 4.711 4.350 -0.000 0.000 0.269 310 E C -0.561 176.086 176.600 0.078 0.000 1.047 310 E CA -0.323 56.142 56.400 0.108 0.000 0.874 310 E CB 1.293 31.046 29.700 0.089 0.000 1.033 310 E HN 0.435 nan 8.360 nan 0.000 0.409 311 R N 0.173 120.721 120.500 0.081 0.000 2.720 311 R HA 0.375 4.715 4.340 -0.000 0.000 0.272 311 R C 0.401 176.710 176.300 0.016 0.000 0.991 311 R CA -0.551 55.579 56.100 0.050 0.000 1.010 311 R CB 1.225 31.563 30.300 0.063 0.000 1.141 311 R HN 0.591 nan 8.270 nan 0.000 0.494 312 T N -1.851 112.700 114.554 -0.004 0.000 2.824 312 T HA 0.317 4.667 4.350 -0.000 0.000 0.277 312 T C 1.320 175.989 174.700 -0.052 0.000 0.975 312 T CA -0.309 61.770 62.100 -0.035 0.000 0.966 312 T CB 1.445 70.291 68.868 -0.036 0.000 1.054 312 T HN 0.594 nan 8.240 nan 0.000 0.533 313 A N 0.781 123.554 122.820 -0.078 0.000 1.902 313 A HA 0.168 4.488 4.320 -0.000 0.000 0.217 313 A C 2.621 180.140 177.584 -0.108 0.000 1.181 313 A CA 1.835 53.804 52.037 -0.112 0.000 0.623 313 A CB -1.585 17.346 19.000 -0.114 0.000 0.818 313 A HN 1.268 nan 8.150 nan 0.000 0.443 314 A N -0.583 122.193 122.820 -0.074 0.000 2.070 314 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 314 A C 1.857 179.416 177.584 -0.041 0.000 1.159 314 A CA 1.648 53.650 52.037 -0.058 0.000 0.656 314 A CB -0.383 18.592 19.000 -0.042 0.000 0.800 314 A HN 0.661 nan 8.150 nan 0.000 0.453 315 E N -0.615 119.567 120.200 -0.030 0.000 2.190 315 E HA 0.080 4.430 4.350 -0.000 0.000 0.191 315 E C 1.747 178.354 176.600 0.013 0.000 0.978 315 E CA 0.301 56.700 56.400 -0.002 0.000 0.839 315 E CB -0.086 29.621 29.700 0.011 0.000 0.787 315 E HN 0.593 nan 8.360 nan 0.000 0.473 316 L N 0.893 122.106 121.223 -0.016 0.000 2.156 316 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 316 L C 2.502 179.372 176.870 -0.000 0.000 1.095 316 L CA 0.987 55.836 54.840 0.015 0.000 0.770 316 L CB -0.155 41.849 42.059 -0.092 0.000 0.914 316 L HN 0.150 nan 8.230 nan 0.000 0.439 317 E N 0.474 120.607 120.200 -0.111 0.000 2.070 317 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 317 E C -0.654 175.970 176.600 0.040 0.000 1.004 317 E CA 1.670 58.008 56.400 -0.105 0.000 0.805 317 E CB -0.539 29.098 29.700 -0.105 0.000 0.744 317 E HN 0.301 nan 8.360 nan 0.000 0.451 318 P HA -0.139 nan 4.420 nan 0.000 0.218 318 P C 1.091 178.446 177.300 0.093 0.000 1.149 318 P CA 1.112 64.246 63.100 0.057 0.000 0.817 318 P CB -0.029 31.693 31.700 0.038 0.000 0.785 319 L N -2.683 118.623 121.223 0.138 0.000 2.056 319 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 319 L C 2.413 179.381 176.870 0.165 0.000 1.078 319 L CA 1.426 56.350 54.840 0.141 0.000 0.749 319 L CB -1.048 41.109 42.059 0.163 0.000 0.901 319 L HN -0.074 nan 8.230 nan 0.000 0.433 320 F N 0.449 120.384 119.950 -0.026 0.000 2.069 320 F HA -0.251 4.276 4.527 0.000 0.000 0.298 320 F C 2.747 178.531 175.800 -0.028 0.000 1.113 320 F CA 1.708 59.689 58.000 -0.031 0.000 1.214 320 F CB -0.628 38.355 39.000 -0.027 0.000 0.978 320 F HN -0.003 nan 8.300 nan 0.000 0.474 321 T N -0.265 114.398 114.554 0.182 0.000 2.833 321 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 321 T C 2.073 176.800 174.700 0.045 0.000 1.054 321 T CA 1.140 63.292 62.100 0.087 0.000 1.135 321 T CB -0.497 68.408 68.868 0.062 0.000 0.869 321 T HN 0.331 nan 8.240 nan 0.000 0.466 322 A N 1.046 123.891 122.820 0.041 0.000 1.969 322 A HA 0.322 4.641 4.320 -0.000 0.000 0.218 322 A C 2.333 179.909 177.584 -0.015 0.000 1.169 322 A CA 1.388 53.432 52.037 0.012 0.000 0.635 322 A CB -0.575 18.434 19.000 0.015 0.000 0.810 322 A HN 0.487 nan 8.150 nan 0.000 0.445 323 A N -1.756 121.043 122.820 -0.035 0.000 2.307 323 A HA 0.439 4.759 4.320 -0.000 0.000 0.218 323 A C 1.619 179.160 177.584 -0.072 0.000 1.228 323 A CA 1.030 53.019 52.037 -0.081 0.000 0.857 323 A CB -0.876 18.030 19.000 -0.156 0.000 0.897 323 A HN 1.811 nan 8.150 nan 0.000 0.495 324 G N -1.215 107.564 108.800 -0.034 0.000 2.136 324 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 324 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 324 G C 0.014 174.903 174.900 -0.018 0.000 0.989 324 G CA 0.469 45.554 45.100 -0.024 0.000 0.682 324 G HN 0.444 nan 8.290 nan 0.000 0.522 325 L N -0.963 120.255 121.223 -0.007 0.000 2.331 325 L HA 0.797 5.137 4.340 -0.000 0.000 0.268 325 L C 0.765 177.706 176.870 0.118 0.000 1.015 325 L CA -1.275 53.585 54.840 0.032 0.000 0.807 325 L CB 1.651 43.691 42.059 -0.032 0.000 1.293 325 L HN 0.175 nan 8.230 nan 0.000 0.451 326 R N 1.270 121.855 120.500 0.142 0.000 2.480 326 R HA 0.403 4.743 4.340 -0.000 0.000 0.306 326 R C -1.239 175.159 176.300 0.163 0.000 0.958 326 R CA -0.887 55.290 56.100 0.129 0.000 0.861 326 R CB 1.518 31.855 30.300 0.060 0.000 1.171 326 R HN 0.456 nan 8.270 nan 0.000 0.445 327 L N 4.976 126.233 121.223 0.056 0.000 2.536 327 L HA 0.109 4.449 4.340 -0.000 0.000 0.282 327 L C 0.525 177.342 176.870 -0.088 0.000 1.147 327 L CA 0.685 55.427 54.840 -0.162 0.000 0.936 327 L CB 0.583 42.332 42.059 -0.516 0.000 1.279 327 L HN 0.802 nan 8.230 nan 0.000 0.461 328 D N 3.624 124.008 120.400 -0.026 0.000 2.123 328 D HA -0.029 4.611 4.640 -0.000 0.000 0.200 328 D C 0.433 176.707 176.300 -0.045 0.000 0.976 328 D CA 1.235 55.222 54.000 -0.021 0.000 0.831 328 D CB 0.358 41.160 40.800 0.004 0.000 0.974 328 D HN 0.677 nan 8.370 nan 0.000 0.469 329 R N -2.030 118.436 120.500 -0.057 0.000 2.690 329 R HA 0.516 4.856 4.340 -0.000 0.000 0.269 329 R C -2.038 174.220 176.300 -0.070 0.000 1.037 329 R CA -0.965 55.100 56.100 -0.058 0.000 0.877 329 R CB 1.172 31.451 30.300 -0.034 0.000 1.255 329 R HN -0.159 nan 8.270 nan 0.000 0.467 330 V N 2.009 121.884 119.914 -0.065 0.000 2.376 330 V HA 0.305 4.425 4.120 -0.000 0.000 0.287 330 V C -0.384 175.691 176.094 -0.032 0.000 1.015 330 V CA -0.788 61.477 62.300 -0.057 0.000 0.834 330 V CB 1.666 33.443 31.823 -0.077 0.000 1.001 330 V HN 0.538 nan 8.190 nan 0.000 0.428 331 V N 4.661 124.565 119.914 -0.017 0.000 2.406 331 V HA 0.534 4.654 4.120 -0.000 0.000 0.272 331 V C 1.092 177.193 176.094 0.011 0.000 1.043 331 V CA -0.134 62.163 62.300 -0.004 0.000 0.915 331 V CB 1.283 33.103 31.823 -0.004 0.000 0.988 331 V HN 0.895 nan 8.190 nan 0.000 0.466 332 G N 3.686 112.497 108.800 0.018 0.000 2.539 332 G HA2 0.578 4.538 3.960 -0.000 0.000 0.258 332 G HA3 0.578 4.538 3.960 -0.000 0.000 0.258 332 G C 0.060 174.985 174.900 0.041 0.000 1.202 332 G CA 0.312 45.437 45.100 0.041 0.000 0.851 332 G HN 0.859 nan 8.290 nan 0.000 0.556 333 T N -2.978 111.607 114.554 0.050 0.000 2.838 333 T HA 0.467 4.817 4.350 -0.000 0.000 0.292 333 T C 1.283 176.001 174.700 0.030 0.000 1.113 333 T CA 0.279 62.404 62.100 0.042 0.000 1.008 333 T CB 1.286 70.182 68.868 0.047 0.000 1.259 333 T HN 0.875 nan 8.240 nan 0.000 0.520 334 S N 0.066 115.781 115.700 0.024 0.000 2.595 334 S HA 0.183 4.653 4.470 -0.000 0.000 0.235 334 S C 0.967 175.564 174.600 -0.006 0.000 0.974 334 S CA 0.214 58.419 58.200 0.008 0.000 0.942 334 S CB -1.045 62.163 63.200 0.014 0.000 0.766 334 S HN 1.166 nan 8.310 nan 0.000 0.536 335 S N -0.249 115.451 115.700 -0.000 0.000 2.801 335 S HA 0.735 5.205 4.470 -0.000 0.000 0.312 335 S C 0.052 174.634 174.600 -0.031 0.000 1.112 335 S CA -0.556 57.634 58.200 -0.016 0.000 0.943 335 S CB 0.895 64.098 63.200 0.005 0.000 1.269 335 S HN 0.210 nan 8.310 nan 0.000 0.558 339 I N 2.042 122.625 120.570 0.020 0.000 2.388 339 I HA 0.484 4.654 4.170 -0.000 0.000 0.281 339 I C 0.242 176.368 176.117 0.015 0.000 1.046 339 I CA -0.505 60.808 61.300 0.022 0.000 1.187 339 I CB 1.026 39.035 38.000 0.015 0.000 1.351 339 I HN 0.694 nan 8.210 nan 0.000 0.472 340 A N 6.775 129.613 122.820 0.030 0.000 2.350 340 A HA 0.510 4.830 4.320 -0.000 0.000 0.293 340 A C -0.075 177.571 177.584 0.103 0.000 1.231 340 A CA -0.244 51.799 52.037 0.010 0.000 0.883 340 A CB 0.152 19.139 19.000 -0.023 0.000 1.133 340 A HN 0.465 nan 8.150 nan 0.000 0.533 341 V N 3.241 123.191 119.914 0.059 0.000 2.364 341 V HA 0.562 4.682 4.120 -0.000 0.000 0.272 341 V C 0.938 177.156 176.094 0.207 0.000 1.036 341 V CA 0.058 62.424 62.300 0.110 0.000 0.880 341 V CB 1.259 33.102 31.823 0.034 0.000 0.991 341 V HN 1.001 nan 8.190 nan 0.000 0.460 342 G N 3.882 112.888 108.800 0.343 0.000 2.417 342 G HA2 0.656 4.616 3.960 -0.000 0.000 0.320 342 G HA3 0.656 4.616 3.960 -0.000 0.000 0.320 342 G C -0.620 174.363 174.900 0.139 0.000 1.204 342 G CA -0.423 44.908 45.100 0.385 0.000 0.923 342 G HN 0.880 nan 8.290 nan 0.000 0.466 343 V N 0.256 120.236 119.914 0.111 0.000 3.019 343 V HA 0.815 4.935 4.120 -0.000 0.000 0.317 343 V C -2.675 173.439 176.094 0.032 0.000 1.094 343 V CA -3.091 59.239 62.300 0.050 0.000 1.000 343 V CB 2.074 33.922 31.823 0.041 0.000 1.060 343 V HN 0.485 nan 8.190 nan 0.000 0.443 344 P HA 0.392 nan 4.420 nan 0.000 0.266 344 P C -0.413 176.893 177.300 0.011 0.000 1.195 344 P CA 0.659 63.759 63.100 -0.001 0.000 0.768 344 P CB 0.557 32.254 31.700 -0.006 0.000 0.838 345 A N 0.000 122.825 122.820 0.008 0.000 2.254 345 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 345 A CA 0.000 52.045 52.037 0.013 0.000 0.836 345 A CB 0.000 19.013 19.000 0.022 0.000 0.831 345 A HN 0.000 nan 8.150 nan 0.000 0.486