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 2ob2_1_B DATA FIRST_RESID 2 DATA SEQUENCE ERIIQQTDYD ALSCKLAAIS VGYLPSSGLQ RLSVDLSKKY TEWHRSYLIT DATA SEQUENCE LKKFSRRAFG KVDKAMRSSF PVMNYGTYLR TVGIDAAILE FLVANEKVQV DATA SEQUENCE VNLGCGSDLR MLPLLQMFPH LAYVDIDYNE SVELKNSILR ESEILRISLG DATA SEQUENCE LSKEDTAKSP FLIDQGRYKL AACDLNDITE TTRLLDVCTK REIPTIVISE DATA SEQUENCE XLLCYMHNNE SQLLINTIMS KFSHGLWISY DPIGGSQPND RFGAIMQSNL DATA SEQUENCE KESRNLEMPT LMTYNSKEKY ASRWSAAPNV IVNDMWEIFN AQIPESERKR DATA SEQUENCE LRSLQFLDEL EELKVMQTHY ILMKAQW 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.434 176.600 -0.276 0.000 1.382 2 E CA 0.000 56.249 56.400 -0.252 0.000 0.976 2 E CB 0.000 29.646 29.700 -0.091 0.000 0.812 3 R N 3.974 124.354 120.500 -0.201 0.000 2.096 3 R HA -0.043 4.297 4.340 0.000 0.000 0.235 3 R C 1.588 177.810 176.300 -0.131 0.000 1.127 3 R CA 1.780 57.786 56.100 -0.157 0.000 0.968 3 R CB -0.110 30.133 30.300 -0.096 0.000 0.861 3 R HN 0.775 nan 8.270 nan 0.000 0.440 4 I N 0.604 121.113 120.570 -0.102 0.000 2.194 4 I HA -0.338 3.833 4.170 0.000 0.000 0.246 4 I C 2.129 178.154 176.117 -0.153 0.000 1.093 4 I CA 1.466 62.709 61.300 -0.095 0.000 1.355 4 I CB -0.163 37.804 38.000 -0.055 0.000 1.046 4 I HN 0.250 nan 8.210 nan 0.000 0.413 5 I N 0.007 120.481 120.570 -0.159 0.000 2.286 5 I HA -0.263 3.907 4.170 0.000 0.000 0.245 5 I C 2.543 178.538 176.117 -0.202 0.000 1.104 5 I CA 1.135 62.301 61.300 -0.223 0.000 1.397 5 I CB -0.345 37.613 38.000 -0.069 0.000 1.072 5 I HN 0.265 nan 8.210 nan 0.000 0.417 6 Q N 0.507 120.225 119.800 -0.135 0.000 2.096 6 Q HA -0.289 4.051 4.340 0.000 0.000 0.204 6 Q C 2.064 177.877 176.000 -0.312 0.000 0.982 6 Q CA 1.510 57.239 55.803 -0.124 0.000 0.850 6 Q CB -0.263 28.406 28.738 -0.114 0.000 0.901 6 Q HN 0.539 nan 8.270 nan 0.000 0.422 7 Q N -0.025 119.552 119.800 -0.371 0.000 2.500 7 Q HA -0.105 4.235 4.340 0.000 0.000 0.213 7 Q C 1.928 177.703 176.000 -0.376 0.000 0.974 7 Q CA 1.357 56.817 55.803 -0.572 0.000 0.918 7 Q CB -0.008 28.566 28.738 -0.273 0.000 0.980 7 Q HN 0.544 nan 8.270 nan 0.000 0.505 8 T N -2.288 112.104 114.554 -0.269 0.000 2.881 8 T HA -0.193 4.157 4.350 0.000 0.000 0.270 8 T C 1.324 175.986 174.700 -0.063 0.000 1.068 8 T CA 1.405 63.413 62.100 -0.152 0.000 1.131 8 T CB -0.155 68.529 68.868 -0.307 0.000 0.871 8 T HN 0.240 nan 8.240 nan 0.000 0.479 9 D N 0.241 120.552 120.400 -0.147 0.000 2.219 9 D HA -0.127 4.514 4.640 0.000 0.000 0.205 9 D C 1.426 177.793 176.300 0.110 0.000 0.970 9 D CA 0.712 54.697 54.000 -0.025 0.000 0.851 9 D CB -0.348 40.434 40.800 -0.030 0.000 0.943 9 D HN 0.463 nan 8.370 nan 0.000 0.488 10 Y N 0.877 121.216 120.300 0.065 0.000 2.352 10 Y HA -0.045 4.505 4.550 0.000 0.000 0.292 10 Y C 2.030 177.958 175.900 0.048 0.000 1.136 10 Y CA 0.600 58.737 58.100 0.061 0.000 1.227 10 Y CB -0.687 37.804 38.460 0.052 0.000 0.991 10 Y HN 0.086 nan 8.280 nan 0.000 0.545 11 D N -0.166 120.350 120.400 0.193 0.000 2.084 11 D HA -0.132 4.508 4.640 0.000 0.000 0.196 11 D C 2.351 178.716 176.300 0.109 0.000 0.985 11 D CA 1.488 55.566 54.000 0.131 0.000 0.826 11 D CB -0.504 40.371 40.800 0.125 0.000 0.978 11 D HN 0.275 nan 8.370 nan 0.000 0.456 12 A N 1.135 124.026 122.820 0.119 0.000 1.883 12 A HA -0.172 4.148 4.320 0.000 0.000 0.217 12 A C 2.191 179.819 177.584 0.074 0.000 1.186 12 A CA 1.158 53.253 52.037 0.096 0.000 0.624 12 A CB -0.823 18.244 19.000 0.111 0.000 0.822 12 A HN 0.214 nan 8.150 nan 0.000 0.444 13 L N 0.031 121.318 121.223 0.107 0.000 2.012 13 L HA -0.127 4.213 4.340 0.000 0.000 0.210 13 L C 2.580 179.488 176.870 0.063 0.000 1.073 13 L CA 2.547 57.445 54.840 0.096 0.000 0.748 13 L CB -0.925 41.236 42.059 0.169 0.000 0.891 13 L HN 0.320 nan 8.230 nan 0.000 0.431 14 S N -1.393 114.345 115.700 0.063 0.000 2.353 14 S HA -0.248 4.223 4.470 0.000 0.000 0.222 14 S C 2.091 176.682 174.600 -0.015 0.000 1.035 14 S CA 1.566 59.775 58.200 0.015 0.000 1.025 14 S CB -0.787 62.426 63.200 0.021 0.000 0.902 14 S HN 0.652 nan 8.310 nan 0.000 0.440 15 C N 1.211 120.504 119.300 -0.012 0.000 2.413 15 C HA -0.083 4.377 4.460 0.000 0.000 0.276 15 C C 2.731 177.690 174.990 -0.051 0.000 1.236 15 C CA 1.158 60.148 59.018 -0.047 0.000 1.735 15 C CB -0.959 26.760 27.740 -0.035 0.000 2.031 15 C HN 0.546 nan 8.230 nan 0.000 0.474 16 K N 0.940 121.320 120.400 -0.033 0.000 2.026 16 K HA -0.072 4.248 4.320 0.000 0.000 0.208 16 K C 1.748 178.291 176.600 -0.094 0.000 1.048 16 K CA 1.632 57.882 56.287 -0.062 0.000 0.929 16 K CB -0.593 31.877 32.500 -0.050 0.000 0.713 16 K HN 0.482 nan 8.250 nan 0.000 0.439 17 L N -0.201 120.991 121.223 -0.053 0.000 2.141 17 L HA -0.062 4.278 4.340 0.000 0.000 0.209 17 L C 2.410 179.247 176.870 -0.055 0.000 1.094 17 L CA 1.029 55.844 54.840 -0.042 0.000 0.763 17 L CB -0.559 41.508 42.059 0.015 0.000 0.908 17 L HN 0.245 nan 8.230 nan 0.000 0.437 18 A N 0.300 123.078 122.820 -0.070 0.000 1.873 18 A HA -0.114 4.207 4.320 0.000 0.000 0.215 18 A C 2.585 180.086 177.584 -0.139 0.000 1.186 18 A CA 1.545 53.522 52.037 -0.100 0.000 0.616 18 A CB -0.680 18.249 19.000 -0.118 0.000 0.823 18 A HN 0.356 nan 8.150 nan 0.000 0.442 19 A N -0.077 122.668 122.820 -0.125 0.000 1.908 19 A HA -0.130 4.190 4.320 0.000 0.000 0.218 19 A C 2.103 179.654 177.584 -0.054 0.000 1.181 19 A CA 1.686 53.656 52.037 -0.111 0.000 0.627 19 A CB -0.630 18.371 19.000 0.003 0.000 0.818 19 A HN 0.501 nan 8.150 nan 0.000 0.445 20 I N -0.991 119.559 120.570 -0.034 0.000 2.315 20 I HA -0.183 3.987 4.170 0.000 0.000 0.248 20 I C 2.799 178.911 176.117 -0.009 0.000 1.117 20 I CA 1.316 62.621 61.300 0.008 0.000 1.404 20 I CB -0.195 37.794 38.000 -0.018 0.000 1.071 20 I HN 0.386 nan 8.210 nan 0.000 0.419 21 S N 0.618 116.294 115.700 -0.040 0.000 2.359 21 S HA -0.158 4.312 4.470 0.000 0.000 0.224 21 S C 2.074 176.640 174.600 -0.057 0.000 1.035 21 S CA 1.791 59.968 58.200 -0.038 0.000 1.018 21 S CB -0.362 62.810 63.200 -0.046 0.000 0.876 21 S HN 0.388 nan 8.310 nan 0.000 0.448 22 V N -1.231 118.608 119.914 -0.125 0.000 3.380 22 V HA 0.421 4.542 4.120 0.000 0.000 0.268 22 V C 1.562 177.619 176.094 -0.062 0.000 1.168 22 V CA 1.073 63.281 62.300 -0.154 0.000 1.156 22 V CB -1.016 30.590 31.823 -0.363 0.000 0.785 22 V HN 0.749 nan 8.190 nan 0.000 0.487 23 G N -1.153 107.642 108.800 -0.009 0.000 2.176 23 G HA2 -0.351 3.609 3.960 0.000 0.000 0.253 23 G HA3 -0.351 3.609 3.960 0.000 0.000 0.253 23 G C 0.433 175.423 174.900 0.150 0.000 0.979 23 G CA 0.477 45.616 45.100 0.065 0.000 0.641 23 G HN 0.457 nan 8.290 nan 0.000 0.530 24 Y N 0.040 120.290 120.300 -0.082 0.000 2.114 24 Y HA 0.125 4.676 4.550 0.000 0.000 0.282 24 Y C 2.082 178.008 175.900 0.044 0.000 1.165 24 Y CA 1.105 59.127 58.100 -0.129 0.000 1.148 24 Y CB -0.525 37.818 38.460 -0.194 0.000 0.972 24 Y HN 0.340 nan 8.280 nan 0.000 0.504 25 L N 1.452 122.807 121.223 0.220 0.000 2.334 25 L HA 0.346 4.687 4.340 0.000 0.000 0.272 25 L C -2.126 174.784 176.870 0.067 0.000 1.020 25 L CA -2.208 52.692 54.840 0.101 0.000 0.812 25 L CB 1.689 43.816 42.059 0.114 0.000 1.264 25 L HN -0.152 nan 8.230 nan 0.000 0.439 26 P HA 0.030 nan 4.420 nan 0.000 0.274 26 P C -0.900 176.317 177.300 -0.138 0.000 1.246 26 P CA -0.431 62.468 63.100 -0.335 0.000 0.795 26 P CB 1.292 32.699 31.700 -0.489 0.000 1.006 27 S N -0.053 115.552 115.700 -0.159 0.000 2.601 27 S HA 0.227 4.698 4.470 0.000 0.000 0.312 27 S C 1.296 175.836 174.600 -0.099 0.000 1.107 27 S CA -0.369 57.796 58.200 -0.058 0.000 1.129 27 S CB -0.369 62.839 63.200 0.012 0.000 0.982 27 S HN 0.398 nan 8.310 nan 0.000 0.469 28 S N 3.775 119.428 115.700 -0.080 0.000 2.399 28 S HA -0.045 4.425 4.470 0.000 0.000 0.231 28 S C 1.938 176.507 174.600 -0.051 0.000 1.022 28 S CA 1.068 59.225 58.200 -0.072 0.000 0.983 28 S CB -0.829 62.338 63.200 -0.054 0.000 0.803 28 S HN 0.781 nan 8.310 nan 0.000 0.480 29 G N 2.096 110.873 108.800 -0.039 0.000 2.434 29 G HA2 0.016 3.976 3.960 0.000 0.000 0.214 29 G HA3 0.016 3.976 3.960 0.000 0.000 0.214 29 G C 1.419 176.300 174.900 -0.032 0.000 1.202 29 G CA 0.811 45.894 45.100 -0.028 0.000 0.788 29 G HN 0.493 nan 8.290 nan 0.000 0.539 30 L N -0.226 120.971 121.223 -0.043 0.000 2.179 30 L HA 0.054 4.394 4.340 0.000 0.000 0.208 30 L C 2.806 179.637 176.870 -0.065 0.000 1.096 30 L CA 0.655 55.460 54.840 -0.059 0.000 0.779 30 L CB -0.191 41.815 42.059 -0.089 0.000 0.922 30 L HN 0.265 nan 8.230 nan 0.000 0.443 31 Q N 0.179 119.929 119.800 -0.083 0.000 2.403 31 Q HA 0.084 4.424 4.340 0.000 0.000 0.203 31 Q C -0.163 175.825 176.000 -0.020 0.000 0.932 31 Q CA -0.203 55.556 55.803 -0.073 0.000 0.945 31 Q CB 0.393 29.035 28.738 -0.160 0.000 1.045 31 Q HN 0.275 nan 8.270 nan 0.000 0.511 32 R N 0.551 121.040 120.500 -0.018 0.000 3.322 32 R HA -0.190 4.151 4.340 0.000 0.000 0.253 32 R C -0.897 175.395 176.300 -0.012 0.000 0.987 32 R CA 0.369 56.467 56.100 -0.002 0.000 0.666 32 R CB -2.462 27.859 30.300 0.035 0.000 1.072 32 R HN 0.256 nan 8.270 nan 0.000 0.447 33 L N 0.659 121.862 121.223 -0.034 0.000 2.325 33 L HA 0.308 4.649 4.340 0.000 0.000 0.279 33 L C 1.344 178.192 176.870 -0.036 0.000 1.054 33 L CA -0.554 54.267 54.840 -0.032 0.000 0.804 33 L CB 1.705 43.731 42.059 -0.055 0.000 1.200 33 L HN 0.262 nan 8.230 nan 0.000 0.436 34 S N 1.315 116.995 115.700 -0.033 0.000 2.626 34 S HA 0.178 4.648 4.470 0.000 0.000 0.257 34 S C 1.240 175.816 174.600 -0.041 0.000 1.288 34 S CA -0.854 57.324 58.200 -0.037 0.000 0.980 34 S CB 1.122 64.300 63.200 -0.037 0.000 0.975 34 S HN 0.324 nan 8.310 nan 0.000 0.577 35 V N 1.095 120.985 119.914 -0.039 0.000 2.282 35 V HA -0.197 3.923 4.120 0.000 0.000 0.249 35 V C 2.305 178.366 176.094 -0.055 0.000 1.057 35 V CA 2.450 64.725 62.300 -0.042 0.000 1.032 35 V CB -1.006 30.796 31.823 -0.035 0.000 0.645 35 V HN 0.825 nan 8.190 nan 0.000 0.447 36 D N -0.414 119.951 120.400 -0.059 0.000 2.123 36 D HA -0.041 4.599 4.640 0.000 0.000 0.200 36 D C 2.052 178.277 176.300 -0.125 0.000 0.976 36 D CA 1.065 55.016 54.000 -0.082 0.000 0.831 36 D CB -0.106 40.656 40.800 -0.062 0.000 0.974 36 D HN 0.343 nan 8.370 nan 0.000 0.469 37 L N 0.209 121.379 121.223 -0.088 0.000 2.313 37 L HA -0.027 4.314 4.340 0.000 0.000 0.214 37 L C 2.334 179.165 176.870 -0.065 0.000 1.119 37 L CA 0.350 55.136 54.840 -0.089 0.000 0.809 37 L CB -0.030 42.044 42.059 0.025 0.000 0.933 37 L HN -0.101 nan 8.230 nan 0.000 0.449 38 S N -0.143 115.524 115.700 -0.056 0.000 2.356 38 S HA -0.206 4.264 4.470 0.000 0.000 0.223 38 S C 1.956 176.535 174.600 -0.034 0.000 1.032 38 S CA 1.277 59.452 58.200 -0.041 0.000 1.005 38 S CB -0.108 63.061 63.200 -0.052 0.000 0.867 38 S HN 0.320 nan 8.310 nan 0.000 0.449 39 K N 1.289 121.634 120.400 -0.090 0.000 1.985 39 K HA -0.135 4.185 4.320 0.000 0.000 0.210 39 K C 1.977 178.450 176.600 -0.211 0.000 1.047 39 K CA 1.141 57.359 56.287 -0.115 0.000 0.932 39 K CB -0.126 32.301 32.500 -0.122 0.000 0.716 39 K HN 0.024 nan 8.250 nan 0.000 0.439 40 K N 0.299 120.452 120.400 -0.411 0.000 2.089 40 K HA -0.229 4.091 4.320 0.000 0.000 0.210 40 K C 2.084 178.213 176.600 -0.784 0.000 1.048 40 K CA 1.486 57.209 56.287 -0.941 0.000 0.926 40 K CB -0.830 30.754 32.500 -1.526 0.000 0.714 40 K HN 0.347 nan 8.250 nan 0.000 0.448 41 Y N 2.127 122.185 120.300 -0.403 0.000 2.102 41 Y HA -0.307 4.243 4.550 0.000 0.000 0.280 41 Y C 2.365 178.366 175.900 0.167 0.000 1.178 41 Y CA 2.406 60.530 58.100 0.039 0.000 1.146 41 Y CB -0.462 38.041 38.460 0.072 0.000 0.968 41 Y HN 0.083 nan 8.280 nan 0.000 0.504 42 T N -0.000 114.655 114.554 0.169 0.000 2.812 42 T HA -0.141 4.210 4.350 0.000 0.000 0.264 42 T C 1.597 176.337 174.700 0.067 0.000 1.042 42 T CA 1.611 63.787 62.100 0.127 0.000 1.140 42 T CB -0.185 68.737 68.868 0.090 0.000 0.870 42 T HN 0.458 nan 8.240 nan 0.000 0.445 43 E N 0.033 120.205 120.200 -0.046 0.000 2.047 43 E HA -0.114 4.236 4.350 0.000 0.000 0.191 43 E C 2.130 178.763 176.600 0.057 0.000 0.987 43 E CA 0.914 57.282 56.400 -0.054 0.000 0.799 43 E CB -0.077 29.516 29.700 -0.178 0.000 0.752 43 E HN 0.523 nan 8.360 nan 0.000 0.449 44 W N 0.631 121.924 121.300 -0.011 0.000 2.363 44 W HA -0.122 4.538 4.660 0.000 0.000 0.296 44 W C 2.004 178.460 176.519 -0.105 0.000 1.212 44 W CA 1.150 58.446 57.345 -0.082 0.000 1.260 44 W CB -1.100 28.249 29.460 -0.184 0.000 1.131 44 W HN 0.328 nan 8.180 nan 0.000 0.530 45 H N -1.158 117.990 119.070 0.129 0.000 2.395 45 H HA -0.012 4.545 4.556 0.000 0.000 0.299 45 H C 2.381 177.782 175.328 0.121 0.000 1.070 45 H CA 1.786 57.867 56.048 0.054 0.000 1.356 45 H CB -0.116 29.593 29.762 -0.088 0.000 1.401 45 H HN -0.069 nan 8.280 nan 0.000 0.524 46 R N -0.289 120.335 120.500 0.206 0.000 2.080 46 R HA -0.158 4.182 4.340 0.000 0.000 0.236 46 R C 2.590 178.988 176.300 0.163 0.000 1.137 46 R CA 1.516 57.710 56.100 0.157 0.000 0.943 46 R CB -0.401 29.962 30.300 0.104 0.000 0.846 46 R HN 0.203 nan 8.270 nan 0.000 0.431 47 S N -0.297 115.497 115.700 0.157 0.000 2.370 47 S HA -0.229 4.242 4.470 0.000 0.000 0.226 47 S C 1.788 176.477 174.600 0.148 0.000 1.033 47 S CA 1.365 59.648 58.200 0.137 0.000 1.011 47 S CB -0.355 62.934 63.200 0.148 0.000 0.852 47 S HN 0.422 nan 8.310 nan 0.000 0.457 48 Y N 1.111 121.451 120.300 0.067 0.000 2.097 48 Y HA -0.142 4.409 4.550 0.000 0.000 0.282 48 Y C 2.178 178.139 175.900 0.102 0.000 1.152 48 Y CA 1.918 60.049 58.100 0.052 0.000 1.136 48 Y CB -0.491 37.962 38.460 -0.011 0.000 0.975 48 Y HN 0.333 nan 8.280 nan 0.000 0.498 49 L N 0.444 121.865 121.223 0.330 0.000 2.012 49 L HA -0.244 4.097 4.340 0.000 0.000 0.210 49 L C 2.150 179.175 176.870 0.257 0.000 1.073 49 L CA 1.873 56.892 54.840 0.299 0.000 0.748 49 L CB -0.951 41.265 42.059 0.261 0.000 0.891 49 L HN 0.353 nan 8.230 nan 0.000 0.431 50 I N -1.080 119.591 120.570 0.169 0.000 2.264 50 I HA -0.313 3.857 4.170 0.000 0.000 0.248 50 I C 2.111 178.223 176.117 -0.008 0.000 1.111 50 I CA 1.754 63.091 61.300 0.061 0.000 1.382 50 I CB -0.635 37.389 38.000 0.041 0.000 1.060 50 I HN 0.295 nan 8.210 nan 0.000 0.418 51 T N 0.861 115.422 114.554 0.010 0.000 2.857 51 T HA -0.102 4.248 4.350 0.000 0.000 0.266 51 T C 1.851 176.591 174.700 0.068 0.000 1.048 51 T CA 0.797 62.903 62.100 0.010 0.000 1.139 51 T CB -0.271 68.591 68.868 -0.009 0.000 0.874 51 T HN 0.176 nan 8.240 nan 0.000 0.455 52 L N 1.909 123.145 121.223 0.020 0.000 2.043 52 L HA -0.094 4.246 4.340 0.000 0.000 0.212 52 L C 2.354 179.284 176.870 0.101 0.000 1.075 52 L CA 1.898 56.794 54.840 0.092 0.000 0.752 52 L CB -0.550 41.592 42.059 0.139 0.000 0.891 52 L HN 0.086 nan 8.230 nan 0.000 0.432 53 K N -0.031 120.369 120.400 0.000 0.000 2.032 53 K HA -0.312 4.008 4.320 0.000 0.000 0.209 53 K C 2.317 178.773 176.600 -0.240 0.000 1.048 53 K CA 2.170 58.258 56.287 -0.332 0.000 0.927 53 K CB -0.257 31.646 32.500 -0.995 0.000 0.712 53 K HN 0.422 nan 8.250 nan 0.000 0.441 54 K N -0.328 119.938 120.400 -0.224 0.000 2.113 54 K HA -0.171 4.150 4.320 0.000 0.000 0.208 54 K C 1.704 178.067 176.600 -0.396 0.000 1.047 54 K CA 1.912 58.000 56.287 -0.331 0.000 0.928 54 K CB -0.203 32.063 32.500 -0.389 0.000 0.716 54 K HN 0.160 nan 8.250 nan 0.000 0.446 55 F N -0.553 119.348 119.950 -0.082 0.000 2.530 55 F HA 0.206 4.733 4.527 0.000 0.000 0.292 55 F C 0.657 176.440 175.800 -0.028 0.000 1.109 55 F CA -0.041 57.929 58.000 -0.051 0.000 1.450 55 F CB 0.830 39.801 39.000 -0.049 0.000 1.114 55 F HN -0.107 nan 8.300 nan 0.000 0.560 56 S N -0.360 115.415 115.700 0.126 0.000 2.750 56 S HA 0.276 4.746 4.470 0.000 0.000 0.276 56 S C 0.592 175.229 174.600 0.062 0.000 1.165 56 S CA -0.830 57.420 58.200 0.082 0.000 1.047 56 S CB 1.005 64.256 63.200 0.085 0.000 1.056 56 S HN 0.269 nan 8.310 nan 0.000 0.481 57 R N 4.156 124.678 120.500 0.038 0.000 2.073 57 R HA -0.023 4.318 4.340 0.000 0.000 0.234 57 R C 2.180 178.541 176.300 0.102 0.000 1.134 57 R CA 1.638 57.775 56.100 0.061 0.000 0.952 57 R CB -0.329 29.986 30.300 0.026 0.000 0.850 57 R HN 0.692 nan 8.270 nan 0.000 0.433 58 R N 0.218 120.757 120.500 0.065 0.000 2.122 58 R HA -0.202 4.138 4.340 0.000 0.000 0.236 58 R C 2.241 178.548 176.300 0.012 0.000 1.129 58 R CA 2.232 58.365 56.100 0.054 0.000 0.925 58 R CB -0.601 29.736 30.300 0.062 0.000 0.850 58 R HN 0.387 nan 8.270 nan 0.000 0.431 59 A N 0.146 122.932 122.820 -0.056 0.000 1.908 59 A HA -0.212 4.108 4.320 0.000 0.000 0.218 59 A C 2.088 179.509 177.584 -0.272 0.000 1.181 59 A CA 1.568 53.386 52.037 -0.364 0.000 0.627 59 A CB -0.869 17.770 19.000 -0.601 0.000 0.818 59 A HN 0.613 nan 8.150 nan 0.000 0.445 60 F N 1.107 120.945 119.950 -0.187 0.000 2.134 60 F HA -0.004 4.524 4.527 0.000 0.000 0.299 60 F C 2.268 178.023 175.800 -0.076 0.000 1.097 60 F CA 1.495 59.428 58.000 -0.112 0.000 1.264 60 F CB -0.663 38.301 39.000 -0.059 0.000 1.001 60 F HN 0.205 nan 8.300 nan 0.000 0.479 61 G N 0.532 109.350 108.800 0.031 0.000 2.491 61 G HA2 -0.310 3.650 3.960 0.000 0.000 0.218 61 G HA3 -0.310 3.650 3.960 0.000 0.000 0.218 61 G C 1.727 176.553 174.900 -0.123 0.000 1.180 61 G CA 1.122 46.195 45.100 -0.046 0.000 0.774 61 G HN 0.369 nan 8.290 nan 0.000 0.562 62 K N -0.164 120.183 120.400 -0.089 0.000 2.026 62 K HA -0.026 4.294 4.320 0.000 0.000 0.208 62 K C 2.614 179.163 176.600 -0.085 0.000 1.048 62 K CA 1.188 57.445 56.287 -0.050 0.000 0.929 62 K CB -0.374 32.142 32.500 0.028 0.000 0.713 62 K HN 0.217 nan 8.250 nan 0.000 0.439 63 V N 1.694 121.502 119.914 -0.177 0.000 2.295 63 V HA -0.271 3.849 4.120 0.000 0.000 0.246 63 V C 2.031 177.987 176.094 -0.230 0.000 1.049 63 V CA 2.260 64.462 62.300 -0.164 0.000 1.024 63 V CB -0.494 31.228 31.823 -0.167 0.000 0.648 63 V HN 0.388 nan 8.190 nan 0.000 0.447 64 D N -0.113 120.030 120.400 -0.428 0.000 2.117 64 D HA -0.208 4.433 4.640 0.000 0.000 0.198 64 D C 2.215 178.383 176.300 -0.220 0.000 0.982 64 D CA 1.585 55.310 54.000 -0.458 0.000 0.828 64 D CB -0.162 40.143 40.800 -0.825 0.000 0.967 64 D HN 0.390 nan 8.370 nan 0.000 0.464 65 K N 0.046 120.349 120.400 -0.161 0.000 1.985 65 K HA -0.148 4.172 4.320 0.000 0.000 0.210 65 K C 2.126 178.701 176.600 -0.042 0.000 1.047 65 K CA 1.394 57.637 56.287 -0.074 0.000 0.932 65 K CB -0.361 32.113 32.500 -0.043 0.000 0.716 65 K HN 0.119 nan 8.250 nan 0.000 0.439 66 A N 1.556 124.356 122.820 -0.034 0.000 1.917 66 A HA -0.242 4.078 4.320 0.000 0.000 0.219 66 A C 2.214 179.784 177.584 -0.023 0.000 1.182 66 A CA 2.047 54.082 52.037 -0.004 0.000 0.633 66 A CB -0.624 18.385 19.000 0.014 0.000 0.819 66 A HN 0.592 nan 8.150 nan 0.000 0.448 67 M N -0.787 118.779 119.600 -0.055 0.000 2.086 67 M HA -0.165 4.315 4.480 0.000 0.000 0.261 67 M C 2.060 178.331 176.300 -0.049 0.000 1.067 67 M CA 1.709 56.972 55.300 -0.061 0.000 1.116 67 M CB -0.104 32.447 32.600 -0.083 0.000 1.348 67 M HN 0.360 nan 8.290 nan 0.000 0.407 68 R N -0.440 120.035 120.500 -0.042 0.000 2.307 68 R HA 0.028 4.368 4.340 0.000 0.000 0.199 68 R C 0.789 177.092 176.300 0.004 0.000 1.000 68 R CA 1.036 57.122 56.100 -0.023 0.000 1.023 68 R CB -0.144 30.141 30.300 -0.025 0.000 0.908 68 R HN 0.431 nan 8.270 nan 0.000 0.473 69 S N -0.531 115.180 115.700 0.018 0.000 2.525 69 S HA 0.180 4.650 4.470 0.000 0.000 0.242 69 S C -0.007 174.653 174.600 0.099 0.000 1.164 69 S CA -0.679 57.562 58.200 0.067 0.000 1.154 69 S CB 0.859 64.104 63.200 0.076 0.000 0.875 69 S HN -0.019 nan 8.310 nan 0.000 0.482 70 S N 1.755 117.464 115.700 0.016 0.000 2.592 70 S HA 0.707 5.177 4.470 0.000 0.000 0.271 70 S C -0.264 174.349 174.600 0.022 0.000 1.326 70 S CA -0.643 57.508 58.200 -0.083 0.000 1.024 70 S CB -0.011 63.096 63.200 -0.155 0.000 0.921 70 S HN 0.537 nan 8.310 nan 0.000 0.527 71 F N 1.890 121.840 119.950 -0.000 0.000 2.611 71 F HA 0.632 5.159 4.527 0.000 0.000 0.324 71 F C -2.363 173.454 175.800 0.029 0.000 1.061 71 F CA -2.660 55.347 58.000 0.012 0.000 0.954 71 F CB 0.176 39.190 39.000 0.023 0.000 1.301 71 F HN 0.282 nan 8.300 nan 0.000 0.482 72 P HA -0.124 nan 4.420 nan 0.000 0.218 72 P C 1.755 179.222 177.300 0.279 0.000 1.149 72 P CA 1.123 64.349 63.100 0.211 0.000 0.817 72 P CB 0.158 32.010 31.700 0.253 0.000 0.785 73 V N -0.241 119.864 119.914 0.319 0.000 2.295 73 V HA -0.269 3.851 4.120 0.000 0.000 0.246 73 V C 2.529 178.699 176.094 0.127 0.000 1.049 73 V CA 2.088 64.548 62.300 0.265 0.000 1.024 73 V CB -1.032 31.010 31.823 0.365 0.000 0.648 73 V HN 0.138 nan 8.190 nan 0.000 0.447 74 M N 0.346 119.787 119.600 -0.264 0.000 2.080 74 M HA -0.225 4.255 4.480 0.000 0.000 0.260 74 M C 2.027 178.219 176.300 -0.181 0.000 1.068 74 M CA 2.204 57.237 55.300 -0.446 0.000 1.109 74 M CB -0.404 31.496 32.600 -1.168 0.000 1.342 74 M HN 0.370 nan 8.290 nan 0.000 0.405 75 N N -0.337 118.277 118.700 -0.142 0.000 2.188 75 N HA -0.151 4.589 4.740 0.000 0.000 0.184 75 N C 1.468 177.153 175.510 0.291 0.000 1.018 75 N CA 1.425 54.441 53.050 -0.057 0.000 0.858 75 N CB -0.651 37.598 38.487 -0.397 0.000 0.989 75 N HN 0.506 nan 8.380 nan 0.000 0.426 76 Y N 1.148 121.624 120.300 0.294 0.000 2.200 76 Y HA -0.028 4.522 4.550 0.000 0.000 0.290 76 Y C 2.532 178.546 175.900 0.190 0.000 1.137 76 Y CA 1.351 59.601 58.100 0.250 0.000 1.163 76 Y CB -0.681 37.824 38.460 0.075 0.000 0.988 76 Y HN 0.077 nan 8.280 nan 0.000 0.518 77 G N -1.321 107.635 108.800 0.260 0.000 2.469 77 G HA2 -0.279 3.681 3.960 0.000 0.000 0.220 77 G HA3 -0.279 3.681 3.960 0.000 0.000 0.220 77 G C 1.714 176.657 174.900 0.070 0.000 1.136 77 G CA 1.805 46.981 45.100 0.126 0.000 0.759 77 G HN 0.341 nan 8.290 nan 0.000 0.562 78 T N -0.633 113.961 114.554 0.067 0.000 2.851 78 T HA -0.044 4.306 4.350 0.000 0.000 0.262 78 T C 1.892 176.611 174.700 0.033 0.000 1.043 78 T CA 0.974 63.076 62.100 0.003 0.000 1.140 78 T CB -0.292 68.570 68.868 -0.009 0.000 0.872 78 T HN 0.366 nan 8.240 nan 0.000 0.446 79 Y N 2.274 122.579 120.300 0.010 0.000 2.040 79 Y HA -0.233 4.317 4.550 0.000 0.000 0.275 79 Y C 1.970 177.860 175.900 -0.016 0.000 1.171 79 Y CA 1.415 59.511 58.100 -0.005 0.000 1.123 79 Y CB -0.675 37.764 38.460 -0.035 0.000 0.963 79 Y HN 0.102 nan 8.280 nan 0.000 0.493 80 L N 0.189 121.442 121.223 0.051 0.000 1.990 80 L HA -0.291 4.049 4.340 0.000 0.000 0.213 80 L C 2.822 179.638 176.870 -0.090 0.000 1.072 80 L CA 2.087 56.923 54.840 -0.007 0.000 0.755 80 L CB -0.746 41.442 42.059 0.214 0.000 0.889 80 L HN 0.244 nan 8.230 nan 0.000 0.432 81 R N -0.293 120.141 120.500 -0.108 0.000 2.083 81 R HA -0.182 4.158 4.340 0.000 0.000 0.237 81 R C 2.143 178.256 176.300 -0.311 0.000 1.137 81 R CA 2.262 58.154 56.100 -0.346 0.000 0.951 81 R CB -0.409 29.531 30.300 -0.601 0.000 0.851 81 R HN 0.279 nan 8.270 nan 0.000 0.434 82 T N 0.794 115.203 114.554 -0.242 0.000 2.770 82 T HA -0.080 4.270 4.350 0.000 0.000 0.263 82 T C 1.807 176.394 174.700 -0.188 0.000 1.039 82 T CA 1.465 63.458 62.100 -0.177 0.000 1.142 82 T CB -0.147 68.649 68.868 -0.120 0.000 0.868 82 T HN 0.366 nan 8.240 nan 0.000 0.435 83 V N 0.355 120.089 119.914 -0.300 0.000 2.719 83 V HA 0.212 4.332 4.120 0.000 0.000 0.252 83 V C 2.483 178.473 176.094 -0.174 0.000 1.065 83 V CA 1.539 63.667 62.300 -0.287 0.000 1.086 83 V CB -1.448 30.090 31.823 -0.474 0.000 0.700 83 V HN 0.423 nan 8.190 nan 0.000 0.467 84 G N 0.623 109.338 108.800 -0.141 0.000 2.404 84 G HA2 -0.139 3.822 3.960 0.000 0.000 0.215 84 G HA3 -0.139 3.822 3.960 0.000 0.000 0.215 84 G C 1.541 176.418 174.900 -0.039 0.000 1.174 84 G CA 1.223 46.289 45.100 -0.057 0.000 0.780 84 G HN 0.519 nan 8.290 nan 0.000 0.537 85 I N 0.735 121.272 120.570 -0.054 0.000 2.202 85 I HA -0.097 4.073 4.170 0.000 0.000 0.242 85 I C 2.373 178.470 176.117 -0.033 0.000 1.091 85 I CA 1.031 62.310 61.300 -0.035 0.000 1.368 85 I CB -0.152 37.814 38.000 -0.056 0.000 1.058 85 I HN 0.033 nan 8.210 nan 0.000 0.410 86 D N 1.193 121.567 120.400 -0.043 0.000 2.106 86 D HA -0.214 4.426 4.640 0.000 0.000 0.191 86 D C 2.250 178.543 176.300 -0.013 0.000 0.997 86 D CA 1.776 55.765 54.000 -0.019 0.000 0.834 86 D CB -0.361 40.420 40.800 -0.032 0.000 0.956 86 D HN 0.344 nan 8.370 nan 0.000 0.448 87 A N 0.931 123.733 122.820 -0.030 0.000 1.948 87 A HA -0.161 4.159 4.320 0.000 0.000 0.220 87 A C 2.308 179.890 177.584 -0.002 0.000 1.177 87 A CA 2.700 54.728 52.037 -0.016 0.000 0.636 87 A CB -0.777 18.206 19.000 -0.028 0.000 0.815 87 A HN 0.272 nan 8.150 nan 0.000 0.449 88 A N -0.437 122.377 122.820 -0.009 0.000 1.898 88 A HA -0.010 4.310 4.320 0.000 0.000 0.216 88 A C 2.116 179.698 177.584 -0.002 0.000 1.181 88 A CA 1.430 53.465 52.037 -0.004 0.000 0.620 88 A CB -0.522 18.468 19.000 -0.017 0.000 0.819 88 A HN 0.493 nan 8.150 nan 0.000 0.442 89 I N -0.496 120.062 120.570 -0.020 0.000 2.252 89 I HA -0.230 3.940 4.170 0.000 0.000 0.245 89 I C 2.338 178.442 176.117 -0.021 0.000 1.102 89 I CA 1.014 62.291 61.300 -0.038 0.000 1.385 89 I CB -0.227 37.753 38.000 -0.034 0.000 1.064 89 I HN 0.273 nan 8.210 nan 0.000 0.414 90 L N 0.242 121.465 121.223 -0.000 0.000 2.056 90 L HA -0.200 4.140 4.340 0.000 0.000 0.207 90 L C 2.594 179.474 176.870 0.018 0.000 1.078 90 L CA 1.372 56.222 54.840 0.017 0.000 0.749 90 L CB -0.553 41.565 42.059 0.098 0.000 0.901 90 L HN 0.280 nan 8.230 nan 0.000 0.433 91 E N 0.213 120.433 120.200 0.034 0.000 2.085 91 E HA -0.301 4.050 4.350 0.000 0.000 0.194 91 E C 2.142 178.753 176.600 0.019 0.000 0.994 91 E CA 1.585 58.003 56.400 0.030 0.000 0.801 91 E CB -0.186 29.535 29.700 0.035 0.000 0.743 91 E HN 0.372 nan 8.360 nan 0.000 0.453 92 F N 0.839 120.721 119.950 -0.114 0.000 2.146 92 F HA -0.044 4.483 4.527 0.000 0.000 0.298 92 F C 1.891 177.575 175.800 -0.193 0.000 1.096 92 F CA 1.202 59.115 58.000 -0.144 0.000 1.275 92 F CB 0.016 38.919 39.000 -0.162 0.000 1.008 92 F HN 0.017 nan 8.300 nan 0.000 0.480 93 L N -0.990 120.162 121.223 -0.119 0.000 2.156 93 L HA -0.161 4.179 4.340 0.000 0.000 0.208 93 L C 2.271 178.960 176.870 -0.301 0.000 1.095 93 L CA 0.559 55.154 54.840 -0.408 0.000 0.770 93 L CB -0.722 40.687 42.059 -1.083 0.000 0.914 93 L HN -0.006 nan 8.230 nan 0.000 0.439 94 V N 0.271 120.120 119.914 -0.108 0.000 2.343 94 V HA -0.260 3.861 4.120 0.000 0.000 0.247 94 V C 2.728 178.798 176.094 -0.039 0.000 1.051 94 V CA 1.828 64.173 62.300 0.075 0.000 1.036 94 V CB -0.763 31.126 31.823 0.109 0.000 0.654 94 V HN 0.474 nan 8.190 nan 0.000 0.451 95 A N -0.448 122.284 122.820 -0.146 0.000 2.015 95 A HA -0.055 4.265 4.320 0.000 0.000 0.219 95 A C 1.079 178.491 177.584 -0.287 0.000 1.163 95 A CA 1.043 52.952 52.037 -0.213 0.000 0.646 95 A CB -0.228 18.610 19.000 -0.270 0.000 0.806 95 A HN 0.599 nan 8.150 nan 0.000 0.448 96 N N -0.418 118.063 118.700 -0.365 0.000 2.576 96 N HA 0.156 4.896 4.740 0.000 0.000 0.269 96 N C 0.241 175.639 175.510 -0.187 0.000 1.058 96 N CA 0.171 53.005 53.050 -0.360 0.000 0.860 96 N CB 1.636 39.726 38.487 -0.661 0.000 1.249 96 N HN 0.662 nan 8.380 nan 0.000 0.525 97 E N 1.791 121.934 120.200 -0.094 0.000 2.122 97 E HA -0.067 4.283 4.350 0.000 0.000 0.190 97 E C 0.264 176.900 176.600 0.060 0.000 0.977 97 E CA 0.764 57.174 56.400 0.015 0.000 0.820 97 E CB 0.392 30.109 29.700 0.028 0.000 0.770 97 E HN 0.194 nan 8.360 nan 0.000 0.462 98 K N 1.579 121.978 120.400 -0.002 0.000 2.263 98 K HA 0.303 4.623 4.320 0.000 0.000 0.282 98 K C -1.582 175.029 176.600 0.018 0.000 1.089 98 K CA -0.393 55.918 56.287 0.040 0.000 0.907 98 K CB 1.200 33.704 32.500 0.007 0.000 1.148 98 K HN -0.008 nan 8.250 nan 0.000 0.470 99 V N 4.245 124.183 119.914 0.039 0.000 3.049 99 V HA 0.278 4.398 4.120 0.000 0.000 0.309 99 V C -1.208 174.883 176.094 -0.006 0.000 1.148 99 V CA -0.927 61.392 62.300 0.031 0.000 0.990 99 V CB 2.158 34.019 31.823 0.063 0.000 1.039 99 V HN 0.838 nan 8.190 nan 0.000 0.430 100 Q N 2.419 122.173 119.800 -0.077 0.000 2.330 100 Q HA 0.786 5.126 4.340 0.000 0.000 0.269 100 Q C -1.811 174.041 176.000 -0.247 0.000 1.022 100 Q CA -0.664 55.058 55.803 -0.135 0.000 0.796 100 Q CB 2.320 30.971 28.738 -0.144 0.000 1.271 100 Q HN 0.418 nan 8.270 nan 0.000 0.450 101 V N 3.050 122.802 119.914 -0.271 0.000 2.427 101 V HA 0.375 4.495 4.120 0.000 0.000 0.286 101 V C -0.280 175.494 176.094 -0.532 0.000 1.034 101 V CA -0.652 61.370 62.300 -0.463 0.000 0.893 101 V CB 1.671 33.129 31.823 -0.608 0.000 0.982 101 V HN 0.686 nan 8.190 nan 0.000 0.452 102 V N 4.452 124.077 119.914 -0.483 0.000 2.378 102 V HA 0.448 4.568 4.120 0.000 0.000 0.288 102 V C -0.132 175.742 176.094 -0.367 0.000 1.016 102 V CA -0.681 61.395 62.300 -0.374 0.000 0.840 102 V CB 1.677 33.337 31.823 -0.272 0.000 0.994 102 V HN 0.850 nan 8.190 nan 0.000 0.431 103 N N 5.359 123.884 118.700 -0.292 0.000 2.476 103 N HA 0.444 5.185 4.740 0.000 0.000 0.257 103 N C -0.999 174.481 175.510 -0.050 0.000 0.970 103 N CA -0.376 52.574 53.050 -0.167 0.000 0.938 103 N CB 1.283 39.732 38.487 -0.065 0.000 1.144 103 N HN 0.628 nan 8.380 nan 0.000 0.500 104 L N 2.174 123.375 121.223 -0.036 0.000 2.265 104 L HA 0.403 4.743 4.340 0.000 0.000 0.288 104 L C 1.320 178.231 176.870 0.067 0.000 1.058 104 L CA -0.758 54.092 54.840 0.016 0.000 0.809 104 L CB 1.121 43.204 42.059 0.039 0.000 1.179 104 L HN 0.742 nan 8.230 nan 0.000 0.429 105 G N 2.229 111.057 108.800 0.047 0.000 2.359 105 G HA2 -0.297 3.663 3.960 0.000 0.000 0.298 105 G HA3 -0.297 3.663 3.960 0.000 0.000 0.298 105 G C 0.970 175.930 174.900 0.099 0.000 1.030 105 G CA 0.289 45.428 45.100 0.065 0.000 1.149 105 G HN 1.029 nan 8.290 nan 0.000 0.512 106 C N -0.831 118.526 119.300 0.095 0.000 2.419 106 C HA 0.397 4.857 4.460 0.000 0.000 0.281 106 C C 2.807 177.862 174.990 0.108 0.000 1.336 106 C CA 0.715 59.803 59.018 0.117 0.000 1.770 106 C CB -1.282 26.552 27.740 0.156 0.000 1.929 106 C HN 2.468 nan 8.230 nan 0.000 0.509 107 G N 0.798 109.662 108.800 0.106 0.000 2.634 107 G HA2 -0.318 3.642 3.960 0.000 0.000 0.309 107 G HA3 -0.318 3.642 3.960 0.000 0.000 0.309 107 G C 0.848 175.804 174.900 0.093 0.000 1.265 107 G CA 0.795 45.957 45.100 0.104 0.000 0.998 107 G HN 0.857 nan 8.290 nan 0.000 0.551 108 S N 1.215 116.946 115.700 0.052 0.000 2.597 108 S HA 0.237 4.707 4.470 0.000 0.000 0.224 108 S C 0.493 174.955 174.600 -0.229 0.000 0.955 108 S CA 0.497 58.644 58.200 -0.089 0.000 0.933 108 S CB 0.042 63.192 63.200 -0.084 0.000 0.788 108 S HN 0.689 nan 8.310 nan 0.000 0.488 109 D N 1.743 122.100 120.400 -0.072 0.000 2.583 109 D HA -0.032 4.608 4.640 0.000 0.000 0.232 109 D C 0.416 176.625 176.300 -0.152 0.000 1.128 109 D CA 0.579 54.548 54.000 -0.051 0.000 0.859 109 D CB 0.414 41.243 40.800 0.050 0.000 1.169 109 D HN 0.210 nan 8.370 nan 0.000 0.481 110 L N 4.077 125.187 121.223 -0.188 0.000 2.959 110 L HA 0.175 4.516 4.340 0.000 0.000 0.259 110 L C 2.097 178.842 176.870 -0.207 0.000 1.185 110 L CA -0.295 54.342 54.840 -0.338 0.000 0.998 110 L CB 0.028 41.696 42.059 -0.652 0.000 1.337 110 L HN 0.410 nan 8.230 nan 0.000 0.555 111 R N 0.798 121.271 120.500 -0.044 0.000 2.193 111 R HA -0.149 4.191 4.340 0.000 0.000 0.229 111 R C 2.172 178.416 176.300 -0.095 0.000 1.110 111 R CA 1.166 57.300 56.100 0.057 0.000 0.988 111 R CB -0.386 30.004 30.300 0.150 0.000 0.871 111 R HN 0.328 nan 8.270 nan 0.000 0.458 112 M N 1.318 120.660 119.600 -0.430 0.000 2.202 112 M HA -0.099 4.381 4.480 0.000 0.000 0.262 112 M C 1.730 177.710 176.300 -0.534 0.000 1.063 112 M CA 1.677 56.490 55.300 -0.812 0.000 1.097 112 M CB -0.991 30.620 32.600 -1.647 0.000 1.382 112 M HN 0.246 nan 8.290 nan 0.000 0.413 113 L N 0.915 121.819 121.223 -0.531 0.000 1.994 113 L HA -0.107 4.234 4.340 0.000 0.000 0.208 113 L C -0.048 176.660 176.870 -0.269 0.000 1.071 113 L CA 1.402 55.854 54.840 -0.645 0.000 0.745 113 L CB -2.840 38.468 42.059 -1.251 0.000 0.892 113 L HN 0.236 nan 8.230 nan 0.000 0.431 114 P HA -0.128 nan 4.420 nan 0.000 0.217 114 P C 2.013 179.402 177.300 0.148 0.000 1.151 114 P CA 1.395 64.655 63.100 0.267 0.000 0.828 114 P CB 0.072 31.995 31.700 0.372 0.000 0.788 115 L N -1.108 120.198 121.223 0.138 0.000 2.056 115 L HA -0.115 4.225 4.340 0.000 0.000 0.207 115 L C 2.738 179.749 176.870 0.235 0.000 1.078 115 L CA 1.154 56.156 54.840 0.269 0.000 0.749 115 L CB -0.989 41.229 42.059 0.266 0.000 0.901 115 L HN -0.115 nan 8.230 nan 0.000 0.433 116 L N -0.579 120.677 121.223 0.054 0.000 2.141 116 L HA -0.217 4.124 4.340 0.000 0.000 0.209 116 L C 2.666 179.545 176.870 0.014 0.000 1.094 116 L CA 0.860 55.715 54.840 0.026 0.000 0.763 116 L CB -0.386 41.616 42.059 -0.094 0.000 0.908 116 L HN 0.288 nan 8.230 nan 0.000 0.437 117 Q N 0.280 120.080 119.800 0.001 0.000 2.079 117 Q HA -0.175 4.165 4.340 0.000 0.000 0.200 117 Q C 2.134 178.106 176.000 -0.047 0.000 0.974 117 Q CA 1.810 57.615 55.803 0.003 0.000 0.840 117 Q CB -0.148 28.631 28.738 0.068 0.000 0.898 117 Q HN 0.406 nan 8.270 nan 0.000 0.430 118 M N -1.108 118.442 119.600 -0.084 0.000 2.349 118 M HA 0.049 4.530 4.480 0.000 0.000 0.266 118 M C -0.359 175.530 176.300 -0.685 0.000 1.076 118 M CA 0.690 55.763 55.300 -0.379 0.000 1.126 118 M CB 0.396 32.713 32.600 -0.472 0.000 1.392 118 M HN 0.005 nan 8.290 nan 0.000 0.440 119 F N -0.842 119.124 119.950 0.026 0.000 2.443 119 F HA 0.342 4.869 4.527 0.000 0.000 0.369 119 F C -1.936 173.860 175.800 -0.006 0.000 1.090 119 F CA -2.327 55.693 58.000 0.034 0.000 1.129 119 F CB 0.315 39.349 39.000 0.058 0.000 1.367 119 F HN -0.184 nan 8.300 nan 0.000 0.465 120 P HA -0.175 nan 4.420 nan 0.000 0.220 120 P C 0.927 178.011 177.300 -0.362 0.000 1.144 120 P CA 1.608 64.597 63.100 -0.185 0.000 0.800 120 P CB 0.044 31.575 31.700 -0.282 0.000 0.772 121 H N -2.481 116.650 119.070 0.102 0.000 2.594 121 H HA 0.200 4.756 4.556 0.000 0.000 0.279 121 H C 0.659 176.036 175.328 0.082 0.000 1.042 121 H CA -0.603 55.490 56.048 0.075 0.000 1.177 121 H CB 0.074 29.870 29.762 0.056 0.000 1.524 121 H HN 0.127 nan 8.280 nan 0.000 0.537 122 L N 1.896 123.225 121.223 0.176 0.000 2.416 122 L HA 0.426 4.766 4.340 0.000 0.000 0.272 122 L C 0.013 176.953 176.870 0.117 0.000 1.161 122 L CA -0.222 54.705 54.840 0.144 0.000 0.845 122 L CB 0.498 42.670 42.059 0.189 0.000 1.119 122 L HN 0.041 nan 8.230 nan 0.000 0.464 123 A N 5.095 127.971 122.820 0.094 0.000 2.350 123 A HA 0.612 4.932 4.320 0.000 0.000 0.324 123 A C -1.655 176.006 177.584 0.129 0.000 1.118 123 A CA -0.443 51.650 52.037 0.094 0.000 0.783 123 A CB 0.733 19.756 19.000 0.039 0.000 1.236 123 A HN 0.793 nan 8.150 nan 0.000 0.457 124 Y N 1.342 121.655 120.300 0.022 0.000 2.457 124 Y HA 0.560 5.110 4.550 0.000 0.000 0.343 124 Y C -1.176 174.729 175.900 0.010 0.000 0.994 124 Y CA -0.686 57.440 58.100 0.044 0.000 1.031 124 Y CB 2.170 40.712 38.460 0.137 0.000 1.246 124 Y HN 0.528 nan 8.280 nan 0.000 0.449 125 V N 4.824 124.748 119.914 0.016 0.000 2.483 125 V HA 0.310 4.430 4.120 0.000 0.000 0.297 125 V C -1.099 175.027 176.094 0.052 0.000 1.027 125 V CA -0.867 61.441 62.300 0.014 0.000 0.855 125 V CB 1.581 33.382 31.823 -0.038 0.000 0.995 125 V HN 0.675 nan 8.190 nan 0.000 0.424 126 D N 4.139 124.634 120.400 0.158 0.000 2.274 126 D HA 0.624 5.264 4.640 0.000 0.000 0.239 126 D C -0.580 175.774 176.300 0.090 0.000 1.104 126 D CA 0.101 54.224 54.000 0.205 0.000 0.840 126 D CB 1.614 42.596 40.800 0.303 0.000 1.100 126 D HN 0.420 nan 8.370 nan 0.000 0.477 127 I N 2.471 123.081 120.570 0.066 0.000 2.466 127 I HA 0.361 4.531 4.170 0.000 0.000 0.289 127 I C -0.048 176.088 176.117 0.031 0.000 1.026 127 I CA -0.575 60.749 61.300 0.040 0.000 1.078 127 I CB 1.982 39.990 38.000 0.014 0.000 1.249 127 I HN 0.133 nan 8.210 nan 0.000 0.429 128 D N 3.345 123.763 120.400 0.029 0.000 2.677 128 D HA 0.304 4.944 4.640 0.000 0.000 0.298 128 D C -1.187 175.130 176.300 0.029 0.000 1.250 128 D CA -0.474 53.533 54.000 0.013 0.000 0.888 128 D CB 1.882 42.731 40.800 0.082 0.000 1.397 128 D HN 0.216 nan 8.370 nan 0.000 0.461 129 Y N 1.612 121.935 120.300 0.038 0.000 2.550 129 Y HA -0.053 4.498 4.550 0.000 0.000 0.343 129 Y C 2.123 178.037 175.900 0.023 0.000 1.245 129 Y CA 0.371 58.487 58.100 0.026 0.000 1.462 129 Y CB 0.467 38.936 38.460 0.015 0.000 1.340 129 Y HN 0.370 nan 8.280 nan 0.000 0.604 130 N N 1.371 120.206 118.700 0.225 0.000 2.094 130 N HA -0.256 4.484 4.740 0.000 0.000 0.191 130 N C 1.079 176.644 175.510 0.092 0.000 1.023 130 N CA 2.054 55.175 53.050 0.118 0.000 0.857 130 N CB 0.136 38.674 38.487 0.083 0.000 1.013 130 N HN 0.747 nan 8.380 nan 0.000 0.426 131 E N 0.012 120.262 120.200 0.084 0.000 2.152 131 E HA -0.000 4.350 4.350 0.000 0.000 0.192 131 E C 2.125 178.769 176.600 0.074 0.000 0.983 131 E CA 0.802 57.233 56.400 0.051 0.000 0.818 131 E CB -0.051 29.655 29.700 0.011 0.000 0.758 131 E HN 0.267 nan 8.360 nan 0.000 0.467 132 S N 0.034 115.800 115.700 0.110 0.000 2.371 132 S HA -0.110 4.360 4.470 0.000 0.000 0.224 132 S C 2.207 176.875 174.600 0.114 0.000 1.029 132 S CA 1.104 59.376 58.200 0.119 0.000 0.978 132 S CB -0.206 63.079 63.200 0.142 0.000 0.833 132 S HN 0.329 nan 8.310 nan 0.000 0.466 133 V N 0.512 120.489 119.914 0.105 0.000 2.667 133 V HA 0.012 4.132 4.120 0.000 0.000 0.252 133 V C 2.006 178.133 176.094 0.056 0.000 1.065 133 V CA 1.119 63.473 62.300 0.091 0.000 1.083 133 V CB -0.613 31.261 31.823 0.085 0.000 0.692 133 V HN 0.205 nan 8.190 nan 0.000 0.468 134 E N 0.711 120.935 120.200 0.039 0.000 2.072 134 E HA -0.156 4.194 4.350 0.000 0.000 0.191 134 E C 2.100 178.668 176.600 -0.054 0.000 0.985 134 E CA 1.618 58.018 56.400 -0.001 0.000 0.801 134 E CB -0.334 29.370 29.700 0.006 0.000 0.750 134 E HN 0.603 nan 8.360 nan 0.000 0.452 135 L N 1.768 122.977 121.223 -0.023 0.000 2.017 135 L HA -0.149 4.191 4.340 0.000 0.000 0.208 135 L C 2.360 179.171 176.870 -0.097 0.000 1.073 135 L CA 1.918 56.714 54.840 -0.073 0.000 0.745 135 L CB -0.413 41.674 42.059 0.047 0.000 0.894 135 L HN -0.052 nan 8.230 nan 0.000 0.432 136 K N -0.587 119.836 120.400 0.038 0.000 2.026 136 K HA -0.263 4.057 4.320 0.000 0.000 0.208 136 K C 2.116 178.719 176.600 0.005 0.000 1.048 136 K CA 1.684 58.035 56.287 0.106 0.000 0.929 136 K CB -0.276 32.347 32.500 0.204 0.000 0.713 136 K HN 0.425 nan 8.250 nan 0.000 0.439 137 N N 0.409 119.106 118.700 -0.006 0.000 2.036 137 N HA -0.175 4.565 4.740 0.000 0.000 0.195 137 N C 1.533 176.963 175.510 -0.133 0.000 1.037 137 N CA 2.273 55.306 53.050 -0.029 0.000 0.855 137 N CB -0.386 38.094 38.487 -0.011 0.000 1.033 137 N HN 0.103 nan 8.380 nan 0.000 0.423 138 S N -0.157 115.376 115.700 -0.279 0.000 2.372 138 S HA -0.143 4.327 4.470 0.000 0.000 0.227 138 S C 1.996 176.263 174.600 -0.555 0.000 1.044 138 S CA 1.422 59.282 58.200 -0.567 0.000 1.050 138 S CB -0.392 62.117 63.200 -1.152 0.000 0.901 138 S HN 0.376 nan 8.310 nan 0.000 0.447 139 I N 0.889 121.165 120.570 -0.491 0.000 2.233 139 I HA -0.121 4.049 4.170 0.000 0.000 0.243 139 I C 2.038 178.043 176.117 -0.186 0.000 1.093 139 I CA 0.917 61.999 61.300 -0.363 0.000 1.380 139 I CB -0.337 37.248 38.000 -0.691 0.000 1.067 139 I HN 0.212 nan 8.210 nan 0.000 0.413 140 L N 0.282 121.429 121.223 -0.127 0.000 2.079 140 L HA -0.201 4.139 4.340 0.000 0.000 0.210 140 L C 2.603 179.448 176.870 -0.041 0.000 1.081 140 L CA 1.512 56.319 54.840 -0.055 0.000 0.752 140 L CB -0.476 41.577 42.059 -0.010 0.000 0.896 140 L HN 0.207 nan 8.230 nan 0.000 0.433 141 R N -0.741 119.738 120.500 -0.035 0.000 2.173 141 R HA -0.090 4.250 4.340 0.000 0.000 0.208 141 R C 2.083 178.400 176.300 0.029 0.000 1.035 141 R CA 0.552 56.650 56.100 -0.003 0.000 1.004 141 R CB 0.038 30.339 30.300 0.002 0.000 0.917 141 R HN 0.176 nan 8.270 nan 0.000 0.462 142 E N 1.128 121.366 120.200 0.062 0.000 2.216 142 E HA -0.029 4.321 4.350 0.000 0.000 0.192 142 E C 0.197 176.840 176.600 0.071 0.000 0.988 142 E CA 0.478 56.954 56.400 0.126 0.000 0.834 142 E CB 0.201 30.100 29.700 0.332 0.000 0.772 142 E HN 0.020 nan 8.360 nan 0.000 0.479 143 S N 0.008 115.734 115.700 0.043 0.000 2.489 143 S HA 0.088 4.558 4.470 0.000 0.000 0.277 143 S C 0.896 175.516 174.600 0.033 0.000 1.230 143 S CA -0.317 57.904 58.200 0.035 0.000 1.053 143 S CB 0.978 64.195 63.200 0.028 0.000 0.955 143 S HN 0.358 nan 8.310 nan 0.000 0.488 144 E N 3.919 124.142 120.200 0.038 0.000 2.023 144 E HA -0.170 4.180 4.350 0.000 0.000 0.196 144 E C 1.725 178.360 176.600 0.059 0.000 1.003 144 E CA 1.602 58.026 56.400 0.040 0.000 0.809 144 E CB -0.132 29.590 29.700 0.038 0.000 0.755 144 E HN 0.888 nan 8.360 nan 0.000 0.449 145 I N 0.714 121.342 120.570 0.096 0.000 2.226 145 I HA -0.296 3.875 4.170 0.000 0.000 0.245 145 I C 2.187 178.409 176.117 0.175 0.000 1.100 145 I CA 1.040 62.447 61.300 0.179 0.000 1.374 145 I CB -0.004 38.131 38.000 0.224 0.000 1.057 145 I HN 0.247 nan 8.210 nan 0.000 0.413 146 L N 0.121 121.387 121.223 0.072 0.000 2.017 146 L HA -0.232 4.108 4.340 0.000 0.000 0.208 146 L C 2.795 179.588 176.870 -0.128 0.000 1.073 146 L CA 1.276 56.048 54.840 -0.115 0.000 0.745 146 L CB -0.791 41.223 42.059 -0.075 0.000 0.894 146 L HN 0.189 nan 8.230 nan 0.000 0.432 147 R N 0.224 120.695 120.500 -0.048 0.000 2.094 147 R HA -0.198 4.142 4.340 0.000 0.000 0.239 147 R C 2.273 178.548 176.300 -0.041 0.000 1.137 147 R CA 1.778 57.855 56.100 -0.039 0.000 0.943 147 R CB -0.497 29.800 30.300 -0.005 0.000 0.850 147 R HN 0.366 nan 8.270 nan 0.000 0.433 148 I N 0.645 121.211 120.570 -0.007 0.000 2.315 148 I HA -0.238 3.933 4.170 0.000 0.000 0.248 148 I C 2.413 178.524 176.117 -0.010 0.000 1.117 148 I CA 1.339 62.646 61.300 0.012 0.000 1.404 148 I CB -0.319 37.715 38.000 0.056 0.000 1.071 148 I HN 0.252 nan 8.210 nan 0.000 0.419 149 S N 0.738 116.404 115.700 -0.056 0.000 2.474 149 S HA -0.056 4.414 4.470 0.000 0.000 0.235 149 S C 1.634 176.078 174.600 -0.260 0.000 0.997 149 S CA 0.803 58.894 58.200 -0.181 0.000 0.949 149 S CB -0.385 62.415 63.200 -0.667 0.000 0.766 149 S HN 0.477 nan 8.310 nan 0.000 0.517 150 L N 0.427 121.523 121.223 -0.213 0.000 2.693 150 L HA 0.404 4.744 4.340 0.000 0.000 0.235 150 L C 1.598 178.420 176.870 -0.080 0.000 1.127 150 L CA 0.187 54.916 54.840 -0.184 0.000 0.914 150 L CB -0.110 41.822 42.059 -0.211 0.000 1.193 150 L HN 0.491 nan 8.230 nan 0.000 0.502 151 G N 1.288 110.055 108.800 -0.055 0.000 2.225 151 G HA2 -0.291 3.669 3.960 0.000 0.000 0.267 151 G HA3 -0.291 3.669 3.960 0.000 0.000 0.267 151 G C 0.123 175.014 174.900 -0.014 0.000 1.024 151 G CA 0.197 45.282 45.100 -0.025 0.000 0.784 151 G HN 0.241 nan 8.290 nan 0.000 0.507 152 L N 0.728 121.941 121.223 -0.018 0.000 2.379 152 L HA 0.625 4.965 4.340 0.000 0.000 0.269 152 L C 1.242 178.113 176.870 0.001 0.000 1.084 152 L CA -0.147 54.691 54.840 -0.004 0.000 0.802 152 L CB 1.503 43.559 42.059 -0.004 0.000 1.175 152 L HN 0.413 nan 8.230 nan 0.000 0.448 153 S N 0.418 116.122 115.700 0.008 0.000 2.690 153 S HA 0.273 4.744 4.470 0.000 0.000 0.291 153 S C 0.533 175.141 174.600 0.014 0.000 1.138 153 S CA -0.808 57.398 58.200 0.011 0.000 1.013 153 S CB 1.778 64.985 63.200 0.012 0.000 1.053 153 S HN 0.652 nan 8.310 nan 0.000 0.539 154 K N -0.076 120.334 120.400 0.017 0.000 2.288 154 K HA -0.000 4.320 4.320 0.000 0.000 0.201 154 K C -0.475 176.141 176.600 0.027 0.000 1.048 154 K CA 0.924 57.225 56.287 0.024 0.000 0.956 154 K CB -0.061 32.456 32.500 0.028 0.000 0.746 154 K HN 0.722 nan 8.250 nan 0.000 0.461 155 E N 1.703 121.917 120.200 0.023 0.000 2.174 155 E HA 0.087 4.437 4.350 0.000 0.000 0.282 155 E C -1.217 175.397 176.600 0.023 0.000 0.992 155 E CA -0.475 55.939 56.400 0.024 0.000 0.803 155 E CB 1.278 30.991 29.700 0.022 0.000 1.090 155 E HN 0.030 nan 8.360 nan 0.000 0.396 156 D N 2.769 123.183 120.400 0.024 0.000 2.449 156 D HA -0.064 4.576 4.640 0.000 0.000 0.278 156 D C 0.735 177.052 176.300 0.027 0.000 1.417 156 D CA 0.366 54.382 54.000 0.025 0.000 1.192 156 D CB -0.061 40.753 40.800 0.023 0.000 1.129 156 D HN 0.502 nan 8.370 nan 0.000 0.539 157 T N -1.411 113.160 114.554 0.028 0.000 3.067 157 T HA 0.169 4.519 4.350 0.000 0.000 0.261 157 T C 1.095 175.817 174.700 0.038 0.000 1.110 157 T CA 0.033 62.150 62.100 0.028 0.000 1.113 157 T CB 0.171 69.053 68.868 0.023 0.000 0.917 157 T HN 0.338 nan 8.240 nan 0.000 0.499 158 A N 1.450 124.299 122.820 0.048 0.000 2.366 158 A HA 0.533 4.854 4.320 0.000 0.000 0.250 158 A C 0.396 178.025 177.584 0.075 0.000 1.099 158 A CA -0.255 51.828 52.037 0.076 0.000 0.794 158 A CB 0.353 19.415 19.000 0.104 0.000 1.056 158 A HN 0.396 nan 8.150 nan 0.000 0.499 159 K N -0.171 120.291 120.400 0.103 0.000 2.444 159 K HA 0.415 4.735 4.320 0.000 0.000 0.252 159 K C -0.307 176.313 176.600 0.033 0.000 0.993 159 K CA -0.607 55.716 56.287 0.060 0.000 0.847 159 K CB 2.002 34.530 32.500 0.046 0.000 1.340 159 K HN 0.733 nan 8.250 nan 0.000 0.446 160 S N 1.909 117.596 115.700 -0.022 0.000 2.558 160 S HA 0.041 4.511 4.470 0.000 0.000 0.291 160 S C -1.415 173.071 174.600 -0.191 0.000 1.306 160 S CA -0.697 57.444 58.200 -0.098 0.000 1.056 160 S CB 0.208 63.364 63.200 -0.074 0.000 0.836 160 S HN 0.391 nan 8.310 nan 0.000 0.504 161 P HA 0.259 nan 4.420 nan 0.000 0.261 161 P C -0.740 176.236 177.300 -0.540 0.000 1.352 161 P CA -0.028 62.775 63.100 -0.496 0.000 0.891 161 P CB -0.202 31.131 31.700 -0.611 0.000 1.383 162 F N -0.359 119.578 119.950 -0.023 0.000 2.469 162 F HA 0.336 4.863 4.527 0.000 0.000 0.332 162 F C 1.764 177.544 175.800 -0.033 0.000 1.103 162 F CA -1.014 56.961 58.000 -0.041 0.000 0.979 162 F CB 1.964 40.931 39.000 -0.055 0.000 1.137 162 F HN -0.357 nan 8.300 nan 0.000 0.463 163 L N 2.509 123.822 121.223 0.151 0.000 2.202 163 L HA 0.232 4.572 4.340 0.000 0.000 0.205 163 L C 0.166 177.081 176.870 0.074 0.000 1.083 163 L CA 0.839 55.729 54.840 0.083 0.000 0.790 163 L CB 0.111 42.201 42.059 0.053 0.000 0.942 163 L HN 0.454 nan 8.230 nan 0.000 0.452 164 I N -0.477 120.123 120.570 0.050 0.000 2.545 164 I HA 0.264 4.434 4.170 0.000 0.000 0.292 164 I C -1.126 174.918 176.117 -0.121 0.000 1.040 164 I CA -0.398 60.895 61.300 -0.011 0.000 1.068 164 I CB 2.231 40.242 38.000 0.017 0.000 1.251 164 I HN -0.145 nan 8.210 nan 0.000 0.424 165 D N 5.072 125.397 120.400 -0.126 0.000 2.823 165 D HA 0.137 4.777 4.640 0.000 0.000 0.255 165 D C -0.937 175.272 176.300 -0.152 0.000 1.257 165 D CA -0.272 53.553 54.000 -0.290 0.000 0.803 165 D CB 0.707 41.327 40.800 -0.299 0.000 1.384 165 D HN 0.428 nan 8.370 nan 0.000 0.541 166 Q N 1.940 121.680 119.800 -0.099 0.000 2.464 166 Q HA 0.594 4.934 4.340 0.000 0.000 0.256 166 Q C 0.726 176.718 176.000 -0.014 0.000 1.020 166 Q CA 0.256 56.043 55.803 -0.028 0.000 0.716 166 Q CB 0.799 29.548 28.738 0.019 0.000 1.230 166 Q HN 0.456 nan 8.270 nan 0.000 0.494 167 G N 3.510 112.289 108.800 -0.035 0.000 2.559 167 G HA2 -0.355 3.605 3.960 0.000 0.000 0.282 167 G HA3 -0.355 3.605 3.960 0.000 0.000 0.282 167 G C 0.452 175.337 174.900 -0.026 0.000 1.177 167 G CA 0.170 45.256 45.100 -0.023 0.000 0.960 167 G HN 0.577 nan 8.290 nan 0.000 0.540 168 R N -0.284 120.223 120.500 0.011 0.000 2.393 168 R HA 0.316 4.656 4.340 0.000 0.000 0.244 168 R C -0.048 176.317 176.300 0.109 0.000 0.920 168 R CA 0.082 56.203 56.100 0.035 0.000 1.076 168 R CB 0.527 30.852 30.300 0.042 0.000 1.119 168 R HN 0.424 nan 8.270 nan 0.000 0.524 169 Y N 1.256 121.516 120.300 -0.066 0.000 2.364 169 Y HA 0.385 4.935 4.550 0.000 0.000 0.340 169 Y C -1.079 174.760 175.900 -0.100 0.000 0.975 169 Y CA -1.206 56.861 58.100 -0.056 0.000 1.089 169 Y CB 1.131 39.529 38.460 -0.103 0.000 1.192 169 Y HN -0.288 nan 8.280 nan 0.000 0.454 170 K N 6.161 126.154 120.400 -0.678 0.000 2.397 170 K HA 0.533 4.853 4.320 0.000 0.000 0.253 170 K C -2.002 174.123 176.600 -0.792 0.000 0.932 170 K CA -1.074 54.782 56.287 -0.718 0.000 0.795 170 K CB 2.372 34.503 32.500 -0.615 0.000 1.159 170 K HN 0.561 nan 8.250 nan 0.000 0.424 171 L N 2.360 123.268 121.223 -0.525 0.000 2.325 171 L HA 0.719 5.059 4.340 0.000 0.000 0.281 171 L C -1.440 175.468 176.870 0.063 0.000 1.004 171 L CA -0.175 54.537 54.840 -0.214 0.000 0.823 171 L CB 1.494 43.480 42.059 -0.121 0.000 1.236 171 L HN 0.782 nan 8.230 nan 0.000 0.415 172 A N 4.266 127.143 122.820 0.095 0.000 2.455 172 A HA 0.898 5.218 4.320 0.000 0.000 0.300 172 A C -0.668 176.947 177.584 0.050 0.000 1.040 172 A CA -0.200 51.905 52.037 0.112 0.000 0.697 172 A CB 1.267 20.369 19.000 0.170 0.000 1.265 172 A HN 1.092 nan 8.150 nan 0.000 0.407 173 A N 0.321 123.156 122.820 0.025 0.000 2.371 173 A HA 0.631 4.951 4.320 0.000 0.000 0.257 173 A C 0.053 177.640 177.584 0.006 0.000 1.089 173 A CA 0.135 52.189 52.037 0.029 0.000 0.794 173 A CB 0.063 19.083 19.000 0.034 0.000 1.029 173 A HN 2.286 nan 8.150 nan 0.000 0.488 174 C N 1.824 121.130 119.300 0.011 0.000 3.274 174 C HA 0.353 4.813 4.460 0.000 0.000 0.415 174 C C -1.570 173.389 174.990 -0.053 0.000 1.009 174 C CA -0.832 58.179 59.018 -0.011 0.000 1.163 174 C CB 0.908 28.633 27.740 -0.025 0.000 1.549 174 C HN 1.015 nan 8.230 nan 0.000 0.599 175 D N 3.998 124.391 120.400 -0.011 0.000 2.365 175 D HA 0.279 4.919 4.640 0.000 0.000 0.237 175 D C 1.005 177.260 176.300 -0.075 0.000 1.190 175 D CA -0.126 53.831 54.000 -0.070 0.000 0.867 175 D CB 0.611 41.498 40.800 0.144 0.000 1.050 175 D HN 0.604 nan 8.370 nan 0.000 0.491 176 L N 3.160 124.298 121.223 -0.142 0.000 2.633 176 L HA -0.014 4.326 4.340 0.000 0.000 0.235 176 L C 1.413 178.282 176.870 -0.001 0.000 1.163 176 L CA 0.375 55.187 54.840 -0.046 0.000 0.859 176 L CB -0.443 41.596 42.059 -0.033 0.000 0.973 176 L HN 0.363 nan 8.230 nan 0.000 0.451 177 N N -0.865 117.841 118.700 0.010 0.000 2.494 177 N HA -0.088 4.653 4.740 0.000 0.000 0.182 177 N C 0.480 176.013 175.510 0.037 0.000 1.076 177 N CA 0.226 53.306 53.050 0.048 0.000 0.908 177 N CB 0.231 38.772 38.487 0.090 0.000 0.967 177 N HN 0.165 nan 8.380 nan 0.000 0.449 178 D N 0.741 121.157 120.400 0.028 0.000 2.473 178 D HA 0.077 4.717 4.640 0.000 0.000 0.226 178 D C 0.682 176.988 176.300 0.010 0.000 1.089 178 D CA -0.379 53.633 54.000 0.020 0.000 0.883 178 D CB 0.796 41.610 40.800 0.024 0.000 1.029 178 D HN -0.040 nan 8.370 nan 0.000 0.517 179 I N 3.060 123.634 120.570 0.006 0.000 2.361 179 I HA -0.231 3.939 4.170 0.000 0.000 0.251 179 I C 2.027 178.142 176.117 -0.004 0.000 1.133 179 I CA 1.557 62.858 61.300 0.002 0.000 1.413 179 I CB -0.038 37.959 38.000 -0.006 0.000 1.073 179 I HN 0.346 nan 8.210 nan 0.000 0.424 180 T N -0.311 114.240 114.554 -0.006 0.000 2.708 180 T HA -0.227 4.123 4.350 0.000 0.000 0.266 180 T C 1.836 176.530 174.700 -0.010 0.000 1.037 180 T CA 1.627 63.721 62.100 -0.010 0.000 1.146 180 T CB -0.304 68.559 68.868 -0.010 0.000 0.865 180 T HN 0.458 nan 8.240 nan 0.000 0.435 181 E N 0.554 120.750 120.200 -0.006 0.000 2.049 181 E HA -0.195 4.155 4.350 0.000 0.000 0.198 181 E C 2.261 178.854 176.600 -0.010 0.000 1.007 181 E CA 1.718 58.112 56.400 -0.010 0.000 0.809 181 E CB -0.156 29.543 29.700 -0.002 0.000 0.749 181 E HN 0.435 nan 8.360 nan 0.000 0.450 182 T N 0.030 114.582 114.554 -0.002 0.000 2.635 182 T HA -0.217 4.133 4.350 0.000 0.000 0.267 182 T C 2.088 176.794 174.700 0.010 0.000 1.040 182 T CA 2.342 64.446 62.100 0.007 0.000 1.156 182 T CB -0.788 68.090 68.868 0.017 0.000 0.863 182 T HN 0.470 nan 8.240 nan 0.000 0.430 183 T N 0.834 115.389 114.554 0.000 0.000 2.857 183 T HA 0.020 4.370 4.350 0.000 0.000 0.266 183 T C 2.005 176.700 174.700 -0.009 0.000 1.048 183 T CA 0.452 62.547 62.100 -0.008 0.000 1.139 183 T CB -0.276 68.577 68.868 -0.025 0.000 0.874 183 T HN 0.266 nan 8.240 nan 0.000 0.455 184 R N 0.418 120.910 120.500 -0.013 0.000 2.113 184 R HA -0.077 4.263 4.340 0.000 0.000 0.244 184 R C 2.441 178.733 176.300 -0.015 0.000 1.142 184 R CA 1.699 57.789 56.100 -0.017 0.000 0.953 184 R CB -0.774 29.510 30.300 -0.027 0.000 0.860 184 R HN 0.361 nan 8.270 nan 0.000 0.438 185 L N 1.083 122.297 121.223 -0.015 0.000 2.027 185 L HA -0.105 4.235 4.340 0.000 0.000 0.206 185 L C 2.077 178.981 176.870 0.057 0.000 1.074 185 L CA 1.521 56.351 54.840 -0.016 0.000 0.745 185 L CB -0.414 41.631 42.059 -0.022 0.000 0.898 185 L HN 0.104 nan 8.230 nan 0.000 0.433 186 L N -0.327 120.938 121.223 0.069 0.000 2.081 186 L HA -0.247 4.093 4.340 0.000 0.000 0.212 186 L C 2.147 179.086 176.870 0.114 0.000 1.080 186 L CA 1.336 56.249 54.840 0.121 0.000 0.754 186 L CB -0.970 41.167 42.059 0.129 0.000 0.893 186 L HN 0.311 nan 8.230 nan 0.000 0.433 187 D N -0.280 120.156 120.400 0.059 0.000 2.218 187 D HA -0.120 4.520 4.640 0.000 0.000 0.204 187 D C 2.025 178.375 176.300 0.083 0.000 0.976 187 D CA 1.529 55.560 54.000 0.051 0.000 0.853 187 D CB 0.046 40.857 40.800 0.018 0.000 0.939 187 D HN 0.390 nan 8.370 nan 0.000 0.481 188 V N -1.211 118.767 119.914 0.106 0.000 3.647 188 V HA 0.098 4.218 4.120 0.000 0.000 0.279 188 V C 1.522 177.782 176.094 0.276 0.000 1.314 188 V CA 0.429 62.826 62.300 0.162 0.000 1.125 188 V CB -0.566 31.329 31.823 0.120 0.000 0.907 188 V HN 0.340 nan 8.190 nan 0.000 0.434 189 C N -0.966 118.478 119.300 0.239 0.000 3.772 189 C HA 0.657 5.117 4.460 0.000 0.000 0.293 189 C C 0.820 175.875 174.990 0.109 0.000 1.659 189 C CA 0.346 59.475 59.018 0.185 0.000 1.810 189 C CB -1.068 26.819 27.740 0.246 0.000 3.059 189 C HN 0.695 nan 8.230 nan 0.000 0.617 190 T N -1.850 112.795 114.554 0.152 0.000 2.883 190 T HA 0.609 4.959 4.350 0.000 0.000 0.301 190 T C -1.598 173.230 174.700 0.213 0.000 1.158 190 T CA -0.315 61.893 62.100 0.180 0.000 1.007 190 T CB 1.990 71.040 68.868 0.303 0.000 1.186 190 T HN 0.264 nan 8.240 nan 0.000 0.499 191 K N 1.116 121.647 120.400 0.219 0.000 2.207 191 K HA 0.410 4.730 4.320 0.000 0.000 0.255 191 K C 1.065 177.860 176.600 0.326 0.000 0.941 191 K CA -0.938 55.471 56.287 0.204 0.000 0.825 191 K CB 2.704 35.280 32.500 0.126 0.000 1.119 191 K HN 0.807 nan 8.250 nan 0.000 0.430 192 R N 1.670 122.310 120.500 0.233 0.000 2.127 192 R HA -0.144 4.197 4.340 0.000 0.000 0.238 192 R C 0.486 176.949 176.300 0.272 0.000 1.134 192 R CA 1.688 57.929 56.100 0.236 0.000 0.975 192 R CB 0.344 30.679 30.300 0.059 0.000 0.865 192 R HN 0.529 nan 8.270 nan 0.000 0.447 193 E N 0.164 120.471 120.200 0.179 0.000 2.451 193 E HA 0.118 4.468 4.350 0.000 0.000 0.194 193 E C -0.003 176.670 176.600 0.122 0.000 1.027 193 E CA 0.033 56.515 56.400 0.137 0.000 0.914 193 E CB 0.451 30.209 29.700 0.096 0.000 1.054 193 E HN 0.413 nan 8.360 nan 0.000 0.461 194 I N 2.745 123.390 120.570 0.125 0.000 2.359 194 I HA 0.206 4.376 4.170 0.000 0.000 0.294 194 I C -2.344 173.796 176.117 0.039 0.000 0.987 194 I CA -2.580 58.758 61.300 0.063 0.000 1.225 194 I CB 1.346 39.367 38.000 0.035 0.000 1.366 194 I HN -0.346 nan 8.210 nan 0.000 0.466 195 P HA -0.000 nan 4.420 nan 0.000 0.262 195 P C -0.869 176.426 177.300 -0.009 0.000 1.182 195 P CA 0.380 63.530 63.100 0.083 0.000 0.761 195 P CB 0.379 32.147 31.700 0.113 0.000 0.795 196 T N 4.399 118.822 114.554 -0.218 0.000 2.848 196 T HA 0.529 4.879 4.350 0.000 0.000 0.285 196 T C 0.029 174.367 174.700 -0.603 0.000 0.995 196 T CA -0.383 61.444 62.100 -0.456 0.000 0.970 196 T CB 0.641 69.031 68.868 -0.797 0.000 0.976 196 T HN 0.167 nan 8.240 nan 0.000 0.441 197 I N 3.005 123.236 120.570 -0.566 0.000 2.336 197 I HA 0.461 4.631 4.170 0.000 0.000 0.292 197 I C -0.467 175.347 176.117 -0.506 0.000 0.991 197 I CA -0.909 60.026 61.300 -0.608 0.000 1.227 197 I CB 1.594 39.279 38.000 -0.524 0.000 1.366 197 I HN 0.240 nan 8.210 nan 0.000 0.466 198 V N 7.661 127.272 119.914 -0.505 0.000 2.459 198 V HA 0.472 4.592 4.120 0.000 0.000 0.295 198 V C -0.022 175.701 176.094 -0.619 0.000 1.029 198 V CA -0.496 61.403 62.300 -0.670 0.000 0.874 198 V CB 1.910 33.055 31.823 -1.131 0.000 0.985 198 V HN 0.461 nan 8.190 nan 0.000 0.438 199 I N 4.025 124.341 120.570 -0.424 0.000 2.433 199 I HA 0.499 4.670 4.170 0.000 0.000 0.292 199 I C -0.143 175.946 176.117 -0.046 0.000 1.001 199 I CA -0.230 60.959 61.300 -0.183 0.000 1.119 199 I CB 2.169 40.098 38.000 -0.118 0.000 1.289 199 I HN 0.662 nan 8.210 nan 0.000 0.438 200 S N 4.127 119.938 115.700 0.185 0.000 2.542 200 S HA 0.440 4.910 4.470 0.000 0.000 0.245 200 S C -0.611 174.178 174.600 0.315 0.000 1.325 200 S CA -0.835 57.556 58.200 0.319 0.000 1.176 200 S CB 1.048 64.596 63.200 0.580 0.000 1.045 200 S HN 0.718 nan 8.310 nan 0.000 0.481 204 L N 1.624 122.974 121.223 0.211 0.000 2.127 204 L HA -0.207 4.133 4.340 0.000 0.000 0.211 204 L C 2.747 179.651 176.870 0.057 0.000 1.089 204 L CA 1.638 56.565 54.840 0.146 0.000 0.757 204 L CB -1.021 41.135 42.059 0.161 0.000 0.899 204 L HN 0.786 nan 8.230 nan 0.000 0.434 205 C N -1.617 117.664 119.300 -0.031 0.000 2.401 205 C HA -0.206 4.255 4.460 0.000 0.000 0.286 205 C C 2.213 177.027 174.990 -0.293 0.000 1.332 205 C CA 0.176 59.075 59.018 -0.200 0.000 1.795 205 C CB -1.839 25.701 27.740 -0.334 0.000 1.922 205 C HN 0.503 nan 8.230 nan 0.000 0.520 206 Y N -0.074 120.287 120.300 0.102 0.000 2.457 206 Y HA 0.436 4.986 4.550 0.000 0.000 0.263 206 Y C 1.530 177.459 175.900 0.048 0.000 1.164 206 Y CA -0.452 57.693 58.100 0.074 0.000 1.274 206 Y CB -0.237 38.287 38.460 0.106 0.000 1.097 206 Y HN 0.267 nan 8.280 nan 0.000 0.523 207 M N -0.813 118.868 119.600 0.136 0.000 2.478 207 M HA 0.276 4.756 4.480 0.000 0.000 0.327 207 M C -0.596 175.708 176.300 0.006 0.000 1.187 207 M CA -0.651 54.714 55.300 0.107 0.000 1.022 207 M CB 1.006 33.672 32.600 0.109 0.000 1.629 207 M HN 0.087 nan 8.290 nan 0.000 0.461 208 H N 0.471 119.582 119.070 0.068 0.000 2.607 208 H HA 0.095 4.651 4.556 0.000 0.000 0.367 208 H C 0.889 176.233 175.328 0.027 0.000 1.181 208 H CA 0.440 56.515 56.048 0.045 0.000 1.402 208 H CB 0.639 30.422 29.762 0.035 0.000 1.474 208 H HN 0.654 nan 8.280 nan 0.000 0.596 209 N N 1.821 120.590 118.700 0.116 0.000 2.094 209 N HA -0.256 4.484 4.740 0.000 0.000 0.191 209 N C 1.105 176.629 175.510 0.024 0.000 1.023 209 N CA 1.253 54.345 53.050 0.070 0.000 0.857 209 N CB 0.049 38.575 38.487 0.066 0.000 1.013 209 N HN 0.609 nan 8.380 nan 0.000 0.426 210 N N 0.184 118.909 118.700 0.042 0.000 2.069 210 N HA -0.156 4.584 4.740 0.000 0.000 0.191 210 N C 1.207 176.712 175.510 -0.007 0.000 1.031 210 N CA 1.170 54.222 53.050 0.003 0.000 0.852 210 N CB -0.013 38.478 38.487 0.007 0.000 1.018 210 N HN 0.283 nan 8.380 nan 0.000 0.423 211 E N 0.402 120.622 120.200 0.033 0.000 2.072 211 E HA -0.106 4.244 4.350 0.000 0.000 0.191 211 E C 2.219 178.817 176.600 -0.004 0.000 0.985 211 E CA 1.126 57.544 56.400 0.028 0.000 0.801 211 E CB -0.243 29.502 29.700 0.076 0.000 0.750 211 E HN 0.371 nan 8.360 nan 0.000 0.452 212 S N 0.049 115.736 115.700 -0.022 0.000 2.371 212 S HA -0.188 4.282 4.470 0.000 0.000 0.224 212 S C 2.095 176.564 174.600 -0.218 0.000 1.029 212 S CA 1.075 59.221 58.200 -0.091 0.000 0.978 212 S CB -0.260 62.877 63.200 -0.104 0.000 0.833 212 S HN 0.077 nan 8.310 nan 0.000 0.466 213 Q N 1.037 120.708 119.800 -0.215 0.000 2.084 213 Q HA 0.053 4.393 4.340 0.000 0.000 0.202 213 Q C 2.055 177.914 176.000 -0.236 0.000 0.978 213 Q CA 1.325 56.952 55.803 -0.293 0.000 0.844 213 Q CB -0.750 27.855 28.738 -0.221 0.000 0.898 213 Q HN 0.518 nan 8.270 nan 0.000 0.426 214 L N -0.290 120.850 121.223 -0.139 0.000 2.046 214 L HA -0.119 4.222 4.340 0.000 0.000 0.208 214 L C 2.036 178.859 176.870 -0.078 0.000 1.077 214 L CA 1.553 56.334 54.840 -0.098 0.000 0.747 214 L CB -0.774 41.251 42.059 -0.056 0.000 0.896 214 L HN 0.426 nan 8.230 nan 0.000 0.432 215 L N -0.764 120.428 121.223 -0.053 0.000 2.017 215 L HA -0.171 4.169 4.340 0.000 0.000 0.208 215 L C 2.325 179.243 176.870 0.081 0.000 1.073 215 L CA 1.767 56.633 54.840 0.042 0.000 0.745 215 L CB -0.425 41.690 42.059 0.093 0.000 0.894 215 L HN 0.273 nan 8.230 nan 0.000 0.432 216 I N -0.070 120.400 120.570 -0.167 0.000 2.127 216 I HA -0.342 3.828 4.170 0.000 0.000 0.241 216 I C 2.104 178.064 176.117 -0.261 0.000 1.075 216 I CA 1.537 62.548 61.300 -0.480 0.000 1.334 216 I CB -0.615 36.702 38.000 -1.139 0.000 1.040 216 I HN 0.378 nan 8.210 nan 0.000 0.405 217 N N 0.233 118.773 118.700 -0.267 0.000 2.106 217 N HA -0.128 4.612 4.740 0.000 0.000 0.188 217 N C 1.876 177.310 175.510 -0.126 0.000 1.029 217 N CA 1.826 54.747 53.050 -0.216 0.000 0.848 217 N CB -0.939 37.434 38.487 -0.189 0.000 1.007 217 N HN 0.307 nan 8.380 nan 0.000 0.423 218 T N 1.933 116.443 114.554 -0.074 0.000 2.684 218 T HA -0.017 4.333 4.350 0.000 0.000 0.267 218 T C 2.117 176.811 174.700 -0.010 0.000 1.036 218 T CA 0.859 62.933 62.100 -0.043 0.000 1.148 218 T CB -0.199 68.656 68.868 -0.022 0.000 0.863 218 T HN 0.165 nan 8.240 nan 0.000 0.436 219 I N 0.408 121.044 120.570 0.109 0.000 2.286 219 I HA -0.112 4.058 4.170 0.000 0.000 0.245 219 I C 2.569 178.823 176.117 0.227 0.000 1.104 219 I CA 0.991 62.411 61.300 0.199 0.000 1.397 219 I CB -0.315 37.880 38.000 0.326 0.000 1.072 219 I HN 0.232 nan 8.210 nan 0.000 0.417 220 M N 0.000 119.670 119.600 0.117 0.000 2.082 220 M HA -0.243 4.237 4.480 0.000 0.000 0.258 220 M C 2.410 178.572 176.300 -0.230 0.000 1.069 220 M CA 1.791 56.868 55.300 -0.371 0.000 1.102 220 M CB -0.630 31.524 32.600 -0.743 0.000 1.336 220 M HN 0.149 nan 8.290 nan 0.000 0.404 221 S N 0.020 115.622 115.700 -0.163 0.000 2.469 221 S HA -0.087 4.383 4.470 0.000 0.000 0.238 221 S C 1.630 176.161 174.600 -0.114 0.000 0.998 221 S CA 0.999 59.128 58.200 -0.118 0.000 0.957 221 S CB -0.199 62.934 63.200 -0.112 0.000 0.764 221 S HN 0.413 nan 8.310 nan 0.000 0.514 222 K N -0.293 119.979 120.400 -0.214 0.000 2.379 222 K HA 0.179 4.499 4.320 0.000 0.000 0.194 222 K C -0.571 175.615 176.600 -0.689 0.000 1.031 222 K CA 0.412 56.392 56.287 -0.510 0.000 1.037 222 K CB 0.304 32.331 32.500 -0.789 0.000 0.824 222 K HN 0.283 nan 8.250 nan 0.000 0.516 223 F N -0.848 119.234 119.950 0.220 0.000 2.540 223 F HA 0.191 4.718 4.527 0.000 0.000 0.317 223 F C 1.209 177.195 175.800 0.311 0.000 1.104 223 F CA -0.884 57.265 58.000 0.248 0.000 0.913 223 F CB 2.098 41.276 39.000 0.296 0.000 1.170 223 F HN -0.250 nan 8.300 nan 0.000 0.450 224 S N 0.273 116.125 115.700 0.253 0.000 2.368 224 S HA -0.087 4.383 4.470 0.000 0.000 0.225 224 S C 0.103 174.480 174.600 -0.372 0.000 1.030 224 S CA 1.106 59.268 58.200 -0.064 0.000 0.999 224 S CB -0.286 62.820 63.200 -0.156 0.000 0.844 224 S HN 0.493 nan 8.310 nan 0.000 0.459 225 H N -1.535 117.556 119.070 0.035 0.000 2.996 225 H HA 0.617 5.173 4.556 0.000 0.000 0.368 225 H C 0.250 175.143 175.328 -0.724 0.000 1.185 225 H CA -0.161 55.661 56.048 -0.378 0.000 1.160 225 H CB 1.601 31.286 29.762 -0.129 0.000 1.820 225 H HN 0.381 nan 8.280 nan 0.000 0.547 226 G N 0.296 108.352 108.800 -1.239 0.000 2.341 226 G HA2 0.377 4.338 3.960 0.000 0.000 0.299 226 G HA3 0.377 4.338 3.960 0.000 0.000 0.299 226 G C -2.222 171.903 174.900 -1.292 0.000 1.274 226 G CA -0.635 43.714 45.100 -1.252 0.000 0.853 226 G HN 0.453 nan 8.290 nan 0.000 0.493 227 L N -0.121 120.480 121.223 -1.036 0.000 2.482 227 L HA 0.720 5.060 4.340 0.000 0.000 0.269 227 L C -1.689 175.103 176.870 -0.130 0.000 0.967 227 L CA -0.786 53.730 54.840 -0.539 0.000 0.851 227 L CB 1.739 43.253 42.059 -0.909 0.000 1.242 227 L HN 0.707 nan 8.230 nan 0.000 0.404 228 W N 7.695 129.073 121.300 0.131 0.000 2.335 228 W HA 0.506 5.166 4.660 0.000 0.000 0.307 228 W C -1.089 175.343 176.519 -0.145 0.000 1.117 228 W CA -0.893 56.489 57.345 0.062 0.000 1.228 228 W CB 1.297 30.830 29.460 0.122 0.000 1.240 228 W HN 0.430 nan 8.180 nan 0.000 0.468 229 I N 5.460 126.108 120.570 0.131 0.000 2.328 229 I HA 0.120 4.291 4.170 0.000 0.000 0.287 229 I C 0.266 176.517 176.117 0.222 0.000 1.012 229 I CA -0.250 61.100 61.300 0.085 0.000 1.195 229 I CB 1.401 39.392 38.000 -0.016 0.000 1.350 229 I HN 0.125 nan 8.210 nan 0.000 0.464 230 S N 5.958 121.750 115.700 0.155 0.000 2.513 230 S HA 0.597 5.067 4.470 0.000 0.000 0.299 230 S C -1.441 173.270 174.600 0.186 0.000 1.087 230 S CA -0.424 57.915 58.200 0.233 0.000 1.012 230 S CB 1.197 64.488 63.200 0.152 0.000 1.044 230 S HN 0.444 nan 8.310 nan 0.000 0.485 231 Y N 3.172 123.539 120.300 0.112 0.000 2.406 231 Y HA 0.655 5.205 4.550 0.000 0.000 0.340 231 Y C -0.900 175.064 175.900 0.105 0.000 0.975 231 Y CA -0.440 57.694 58.100 0.057 0.000 1.056 231 Y CB 1.389 39.893 38.460 0.074 0.000 1.210 231 Y HN 0.655 nan 8.280 nan 0.000 0.448 232 D N 5.842 125.964 120.400 -0.464 0.000 2.671 232 D HA 0.294 4.934 4.640 0.000 0.000 0.273 232 D C -3.026 173.041 176.300 -0.389 0.000 1.264 232 D CA -1.242 52.625 54.000 -0.222 0.000 0.788 232 D CB 2.749 43.553 40.800 0.006 0.000 1.324 232 D HN 0.187 nan 8.370 nan 0.000 0.424 233 P HA 0.436 nan 4.420 nan 0.000 0.276 233 P C -0.569 176.562 177.300 -0.282 0.000 1.244 233 P CA -0.396 62.390 63.100 -0.524 0.000 0.801 233 P CB 0.750 32.276 31.700 -0.290 0.000 1.006 234 I N -3.562 116.836 120.570 -0.287 0.000 2.785 234 I HA 0.665 4.835 4.170 0.000 0.000 0.302 234 I C 1.224 177.359 176.117 0.030 0.000 1.069 234 I CA -0.981 60.271 61.300 -0.080 0.000 1.045 234 I CB 1.809 39.736 38.000 -0.121 0.000 1.236 234 I HN 0.336 nan 8.210 nan 0.000 0.429 235 G N 2.539 111.403 108.800 0.108 0.000 2.443 235 G HA2 0.363 4.323 3.960 0.000 0.000 0.219 235 G HA3 0.363 4.323 3.960 0.000 0.000 0.219 235 G C 0.825 175.860 174.900 0.225 0.000 1.131 235 G CA 0.474 45.684 45.100 0.184 0.000 0.775 235 G HN 1.613 nan 8.290 nan 0.000 0.547 236 G N -1.189 107.684 108.800 0.122 0.000 2.907 236 G HA2 0.187 4.147 3.960 0.000 0.000 0.686 236 G HA3 0.187 4.147 3.960 0.000 0.000 0.686 236 G C 0.547 175.470 174.900 0.038 0.000 1.115 236 G CA 0.378 45.523 45.100 0.075 0.000 0.760 236 G HN 1.109 nan 8.290 nan 0.000 0.620 237 S N 0.442 116.135 115.700 -0.013 0.000 2.506 237 S HA 0.216 4.686 4.470 0.000 0.000 0.219 237 S C 0.859 175.459 174.600 -0.000 0.000 1.031 237 S CA 0.359 58.557 58.200 -0.004 0.000 0.911 237 S CB 0.240 63.432 63.200 -0.013 0.000 0.812 237 S HN 0.811 nan 8.310 nan 0.000 0.497 238 Q N 2.955 122.752 119.800 -0.006 0.000 2.428 238 Q HA 0.322 4.662 4.340 0.000 0.000 0.276 238 Q C -2.479 173.529 176.000 0.014 0.000 1.059 238 Q CA -1.295 54.507 55.803 -0.001 0.000 0.923 238 Q CB -0.354 28.379 28.738 -0.008 0.000 1.283 238 Q HN 0.266 nan 8.270 nan 0.000 0.447 239 P HA 0.021 nan 4.420 nan 0.000 0.272 239 P C 0.107 177.417 177.300 0.017 0.000 1.230 239 P CA -0.108 62.999 63.100 0.012 0.000 0.788 239 P CB 0.360 32.064 31.700 0.006 0.000 0.949 240 N N -0.706 118.005 118.700 0.018 0.000 2.708 240 N HA -0.225 4.515 4.740 0.000 0.000 0.251 240 N C -0.726 174.805 175.510 0.034 0.000 1.123 240 N CA 0.969 54.031 53.050 0.020 0.000 0.739 240 N CB -1.594 36.901 38.487 0.013 0.000 1.113 240 N HN 0.419 nan 8.380 nan 0.000 0.561 241 D N -0.050 120.379 120.400 0.049 0.000 2.428 241 D HA 0.309 4.949 4.640 0.000 0.000 0.221 241 D C 0.672 177.025 176.300 0.089 0.000 1.123 241 D CA -0.242 53.811 54.000 0.088 0.000 0.869 241 D CB 0.385 41.256 40.800 0.119 0.000 1.032 241 D HN 0.322 nan 8.370 nan 0.000 0.506 242 R N 2.817 123.359 120.500 0.069 0.000 2.427 242 R HA 0.128 4.468 4.340 0.000 0.000 0.262 242 R C 1.433 177.755 176.300 0.036 0.000 0.943 242 R CA -0.316 55.810 56.100 0.043 0.000 1.081 242 R CB -0.022 30.284 30.300 0.010 0.000 1.166 242 R HN 0.431 nan 8.270 nan 0.000 0.534 243 F N 0.336 120.208 119.950 -0.131 0.000 2.087 243 F HA -0.254 4.273 4.527 0.000 0.000 0.299 243 F C 2.039 177.745 175.800 -0.157 0.000 1.100 243 F CA 2.106 59.957 58.000 -0.248 0.000 1.226 243 F CB -0.239 38.350 39.000 -0.685 0.000 0.983 243 F HN 0.090 nan 8.300 nan 0.000 0.479 244 G N -0.724 108.196 108.800 0.200 0.000 2.404 244 G HA2 -0.167 3.793 3.960 0.000 0.000 0.215 244 G HA3 -0.167 3.793 3.960 0.000 0.000 0.215 244 G C 1.781 176.674 174.900 -0.012 0.000 1.174 244 G CA 0.731 45.896 45.100 0.110 0.000 0.780 244 G HN 0.631 nan 8.290 nan 0.000 0.537 245 A N 0.824 123.641 122.820 -0.005 0.000 1.883 245 A HA -0.017 4.303 4.320 0.000 0.000 0.217 245 A C 2.412 179.960 177.584 -0.059 0.000 1.186 245 A CA 1.522 53.545 52.037 -0.023 0.000 0.624 245 A CB -0.388 18.606 19.000 -0.010 0.000 0.822 245 A HN 0.388 nan 8.150 nan 0.000 0.444 246 I N -1.229 119.281 120.570 -0.100 0.000 2.286 246 I HA -0.219 3.951 4.170 0.000 0.000 0.245 246 I C 2.700 178.720 176.117 -0.162 0.000 1.104 246 I CA 1.596 62.822 61.300 -0.124 0.000 1.397 246 I CB -0.278 37.634 38.000 -0.146 0.000 1.072 246 I HN 0.471 nan 8.210 nan 0.000 0.417 247 M N 0.559 119.999 119.600 -0.266 0.000 2.080 247 M HA -0.289 4.191 4.480 0.000 0.000 0.260 247 M C 2.419 178.659 176.300 -0.102 0.000 1.068 247 M CA 1.967 57.121 55.300 -0.244 0.000 1.109 247 M CB -0.150 32.210 32.600 -0.399 0.000 1.342 247 M HN 0.188 nan 8.290 nan 0.000 0.405 248 Q N -0.489 119.269 119.800 -0.070 0.000 2.030 248 Q HA -0.221 4.119 4.340 0.000 0.000 0.204 248 Q C 2.238 178.229 176.000 -0.015 0.000 0.986 248 Q CA 2.273 58.063 55.803 -0.021 0.000 0.843 248 Q CB -0.426 28.305 28.738 -0.011 0.000 0.904 248 Q HN 0.708 nan 8.270 nan 0.000 0.420 249 S N 0.908 116.592 115.700 -0.027 0.000 2.359 249 S HA -0.233 4.237 4.470 0.000 0.000 0.224 249 S C 1.801 176.390 174.600 -0.017 0.000 1.035 249 S CA 1.541 59.730 58.200 -0.019 0.000 1.018 249 S CB -0.389 62.796 63.200 -0.024 0.000 0.876 249 S HN 0.352 nan 8.310 nan 0.000 0.448 250 N N 0.923 119.604 118.700 -0.032 0.000 2.104 250 N HA -0.056 4.684 4.740 0.000 0.000 0.190 250 N C 1.868 177.378 175.510 -0.001 0.000 1.024 250 N CA 1.682 54.717 53.050 -0.024 0.000 0.853 250 N CB -0.344 38.115 38.487 -0.047 0.000 1.008 250 N HN 0.504 nan 8.380 nan 0.000 0.424 251 L N 0.518 121.746 121.223 0.008 0.000 2.156 251 L HA -0.080 4.260 4.340 0.000 0.000 0.208 251 L C 2.446 179.337 176.870 0.035 0.000 1.095 251 L CA 0.753 55.614 54.840 0.036 0.000 0.770 251 L CB -0.251 41.847 42.059 0.064 0.000 0.914 251 L HN 0.061 nan 8.230 nan 0.000 0.439 252 K N 0.517 120.933 120.400 0.026 0.000 2.097 252 K HA -0.157 4.163 4.320 0.000 0.000 0.205 252 K C 1.906 178.517 176.600 0.019 0.000 1.050 252 K CA 1.264 57.567 56.287 0.026 0.000 0.938 252 K CB 0.157 32.670 32.500 0.021 0.000 0.718 252 K HN 0.312 nan 8.250 nan 0.000 0.442 253 E N -0.531 119.677 120.200 0.013 0.000 2.086 253 E HA -0.097 4.253 4.350 0.000 0.000 0.190 253 E C 1.991 178.599 176.600 0.013 0.000 0.975 253 E CA 1.064 57.470 56.400 0.010 0.000 0.813 253 E CB 0.065 29.767 29.700 0.004 0.000 0.768 253 E HN 0.387 nan 8.360 nan 0.000 0.457 254 S N 1.682 117.391 115.700 0.016 0.000 2.343 254 S HA -0.121 4.349 4.470 0.000 0.000 0.212 254 S C 1.992 176.605 174.600 0.023 0.000 1.033 254 S CA 0.717 58.930 58.200 0.020 0.000 1.004 254 S CB -0.368 62.847 63.200 0.025 0.000 0.977 254 S HN 0.068 nan 8.310 nan 0.000 0.427 255 R N 1.215 121.731 120.500 0.026 0.000 2.276 255 R HA 0.261 4.602 4.340 0.000 0.000 0.196 255 R C 0.425 176.736 176.300 0.019 0.000 0.961 255 R CA 0.485 56.599 56.100 0.023 0.000 1.024 255 R CB -0.389 29.926 30.300 0.026 0.000 0.940 255 R HN 0.575 nan 8.270 nan 0.000 0.480 256 N N 0.397 119.111 118.700 0.022 0.000 2.725 256 N HA -0.187 4.553 4.740 0.000 0.000 0.249 256 N C -1.278 174.250 175.510 0.031 0.000 1.103 256 N CA 0.456 53.520 53.050 0.024 0.000 0.707 256 N CB -0.835 37.663 38.487 0.018 0.000 1.043 256 N HN 0.151 nan 8.380 nan 0.000 0.553 257 L N 0.517 121.764 121.223 0.040 0.000 2.309 257 L HA 0.563 4.903 4.340 0.000 0.000 0.282 257 L C 0.188 177.111 176.870 0.090 0.000 1.036 257 L CA -0.388 54.488 54.840 0.059 0.000 0.806 257 L CB 1.315 43.409 42.059 0.059 0.000 1.220 257 L HN 0.142 nan 8.230 nan 0.000 0.429 258 E N 4.249 124.519 120.200 0.115 0.000 2.207 258 E HA 0.499 4.849 4.350 0.000 0.000 0.270 258 E C -1.096 175.599 176.600 0.158 0.000 0.927 258 E CA -0.431 56.032 56.400 0.105 0.000 0.799 258 E CB 1.856 31.601 29.700 0.073 0.000 1.172 258 E HN 0.573 nan 8.360 nan 0.000 0.404 259 M N 3.870 123.522 119.600 0.086 0.000 2.065 259 M HA 0.240 4.720 4.480 0.000 0.000 0.332 259 M C -2.124 174.154 176.300 -0.037 0.000 0.988 259 M CA -1.840 53.479 55.300 0.032 0.000 0.944 259 M CB 1.380 33.980 32.600 -0.001 0.000 1.357 259 M HN 0.202 nan 8.290 nan 0.000 0.388 260 P HA -0.106 nan 4.420 nan 0.000 0.218 260 P C 1.110 178.344 177.300 -0.110 0.000 1.149 260 P CA 1.349 64.322 63.100 -0.211 0.000 0.817 260 P CB 0.092 31.417 31.700 -0.624 0.000 0.785 261 T N -4.790 109.732 114.554 -0.053 0.000 3.129 261 T HA 0.180 4.530 4.350 0.000 0.000 0.267 261 T C 1.327 176.041 174.700 0.025 0.000 1.018 261 T CA -0.293 61.795 62.100 -0.019 0.000 0.903 261 T CB -0.786 68.156 68.868 0.123 0.000 1.067 261 T HN -0.149 nan 8.240 nan 0.000 0.549 262 L N 1.043 122.282 121.223 0.026 0.000 2.079 262 L HA 0.090 4.430 4.340 0.000 0.000 0.210 262 L C 2.089 178.986 176.870 0.045 0.000 1.081 262 L CA 1.838 56.713 54.840 0.060 0.000 0.752 262 L CB -0.509 41.576 42.059 0.044 0.000 0.896 262 L HN 0.261 nan 8.230 nan 0.000 0.433 263 M N -2.146 117.450 119.600 -0.006 0.000 2.435 263 M HA 0.004 4.484 4.480 0.000 0.000 0.265 263 M C 2.078 178.325 176.300 -0.088 0.000 1.104 263 M CA 1.076 56.362 55.300 -0.023 0.000 1.140 263 M CB -1.381 31.206 32.600 -0.021 0.000 1.372 263 M HN 0.188 nan 8.290 nan 0.000 0.456 264 T N 0.398 114.838 114.554 -0.190 0.000 2.622 264 T HA -0.161 4.189 4.350 0.000 0.000 0.266 264 T C 0.468 174.880 174.700 -0.479 0.000 1.047 264 T CA 1.426 63.278 62.100 -0.414 0.000 1.159 264 T CB -0.480 67.990 68.868 -0.662 0.000 0.863 264 T HN 0.342 nan 8.240 nan 0.000 0.422 265 Y N 3.056 123.369 120.300 0.022 0.000 2.817 265 Y HA 0.281 4.831 4.550 0.000 0.000 0.339 265 Y C 1.211 177.164 175.900 0.089 0.000 1.281 265 Y CA -1.146 56.995 58.100 0.068 0.000 1.564 265 Y CB -0.403 38.118 38.460 0.102 0.000 1.628 265 Y HN 0.265 nan 8.280 nan 0.000 0.489 266 N N -0.542 118.227 118.700 0.115 0.000 2.336 266 N HA -0.017 4.723 4.740 0.000 0.000 0.189 266 N C -0.031 175.504 175.510 0.043 0.000 1.113 266 N CA 0.180 53.273 53.050 0.073 0.000 0.858 266 N CB 0.203 38.713 38.487 0.038 0.000 0.970 266 N HN 0.367 nan 8.380 nan 0.000 0.471 267 S N -0.722 115.023 115.700 0.075 0.000 2.667 267 S HA 0.371 4.841 4.470 0.000 0.000 0.292 267 S C 0.853 175.497 174.600 0.073 0.000 1.126 267 S CA -0.819 57.398 58.200 0.028 0.000 0.881 267 S CB 2.255 65.469 63.200 0.022 0.000 1.132 267 S HN 0.179 nan 8.310 nan 0.000 0.492 268 K N 0.501 120.909 120.400 0.014 0.000 2.097 268 K HA -0.112 4.208 4.320 0.000 0.000 0.206 268 K C 1.163 177.828 176.600 0.108 0.000 1.049 268 K CA 1.745 58.047 56.287 0.026 0.000 0.933 268 K CB -0.448 32.033 32.500 -0.032 0.000 0.717 268 K HN 0.572 nan 8.250 nan 0.000 0.442 269 E N 1.567 121.818 120.200 0.086 0.000 2.017 269 E HA -0.115 4.235 4.350 0.000 0.000 0.193 269 E C 1.964 178.642 176.600 0.129 0.000 0.997 269 E CA 1.711 58.166 56.400 0.090 0.000 0.804 269 E CB -0.027 29.709 29.700 0.060 0.000 0.757 269 E HN 0.335 nan 8.360 nan 0.000 0.448 270 K N -0.318 120.175 120.400 0.156 0.000 2.103 270 K HA -0.195 4.126 4.320 0.000 0.000 0.207 270 K C 2.217 178.989 176.600 0.286 0.000 1.048 270 K CA 1.343 57.767 56.287 0.227 0.000 0.930 270 K CB -0.319 32.330 32.500 0.248 0.000 0.716 270 K HN 0.167 nan 8.250 nan 0.000 0.444 271 Y N 1.582 121.967 120.300 0.141 0.000 2.114 271 Y HA -0.281 4.269 4.550 0.000 0.000 0.284 271 Y C 2.366 178.296 175.900 0.051 0.000 1.143 271 Y CA 1.697 59.807 58.100 0.018 0.000 1.135 271 Y CB -0.303 38.185 38.460 0.047 0.000 0.980 271 Y HN 0.057 nan 8.280 nan 0.000 0.499 272 A N -0.381 122.624 122.820 0.309 0.000 1.978 272 A HA -0.219 4.101 4.320 0.000 0.000 0.220 272 A C 2.348 180.042 177.584 0.183 0.000 1.170 272 A CA 1.930 54.126 52.037 0.264 0.000 0.636 272 A CB -1.346 17.748 19.000 0.158 0.000 0.810 272 A HN 0.621 nan 8.150 nan 0.000 0.448 273 S N -0.134 115.608 115.700 0.069 0.000 2.500 273 S HA -0.174 4.296 4.470 0.000 0.000 0.239 273 S C 1.776 176.304 174.600 -0.119 0.000 0.989 273 S CA 1.143 59.346 58.200 0.006 0.000 0.951 273 S CB -0.455 62.762 63.200 0.028 0.000 0.759 273 S HN 0.652 nan 8.310 nan 0.000 0.523 274 R N -0.041 120.285 120.500 -0.292 0.000 2.115 274 R HA 0.095 4.435 4.340 0.000 0.000 0.230 274 R C 1.203 177.056 176.300 -0.745 0.000 1.111 274 R CA 1.233 56.919 56.100 -0.691 0.000 0.976 274 R CB -0.171 29.340 30.300 -1.315 0.000 0.870 274 R HN 0.572 nan 8.270 nan 0.000 0.445 275 W N 1.297 122.388 121.300 -0.348 0.000 3.391 275 W HA 0.123 4.783 4.660 0.000 0.000 0.372 275 W C 1.131 177.544 176.519 -0.177 0.000 1.171 275 W CA 0.052 57.219 57.345 -0.297 0.000 1.862 275 W CB 0.031 29.322 29.460 -0.281 0.000 1.048 275 W HN 0.190 nan 8.180 nan 0.000 0.726 276 S N 0.054 115.739 115.700 -0.024 0.000 2.537 276 S HA -0.090 4.380 4.470 0.000 0.000 0.240 276 S C 1.820 176.413 174.600 -0.010 0.000 0.981 276 S CA 1.074 59.275 58.200 0.001 0.000 0.948 276 S CB -0.092 63.098 63.200 -0.016 0.000 0.759 276 S HN 0.130 nan 8.310 nan 0.000 0.531 277 A N 0.898 123.686 122.820 -0.053 0.000 2.169 277 A HA 0.673 4.993 4.320 0.000 0.000 0.212 277 A C 1.238 178.812 177.584 -0.017 0.000 1.153 277 A CA 0.399 52.402 52.037 -0.057 0.000 0.756 277 A CB -0.698 18.231 19.000 -0.119 0.000 0.813 277 A HN 0.810 nan 8.150 nan 0.000 0.471 278 A N 0.813 123.652 122.820 0.032 0.000 2.401 278 A HA 0.519 4.839 4.320 0.000 0.000 0.259 278 A C -0.808 176.866 177.584 0.150 0.000 1.103 278 A CA -1.081 51.041 52.037 0.142 0.000 0.789 278 A CB 0.273 19.420 19.000 0.245 0.000 1.035 278 A HN 0.221 nan 8.150 nan 0.000 0.491 279 P HA -0.073 nan 4.420 nan 0.000 0.219 279 P C 0.071 177.447 177.300 0.127 0.000 1.150 279 P CA 0.974 64.157 63.100 0.138 0.000 0.814 279 P CB 0.122 31.913 31.700 0.150 0.000 0.787 280 N N 0.360 119.155 118.700 0.157 0.000 2.626 280 N HA 0.249 4.989 4.740 0.000 0.000 0.242 280 N C -1.717 173.867 175.510 0.125 0.000 1.005 280 N CA -0.544 52.582 53.050 0.126 0.000 0.905 280 N CB 0.741 39.304 38.487 0.127 0.000 1.128 280 N HN -0.312 nan 8.380 nan 0.000 0.512 281 V N 4.924 124.895 119.914 0.094 0.000 2.444 281 V HA 0.533 4.653 4.120 0.000 0.000 0.294 281 V C 0.141 176.263 176.094 0.046 0.000 1.022 281 V CA -0.656 61.688 62.300 0.073 0.000 0.850 281 V CB 1.359 33.236 31.823 0.091 0.000 0.992 281 V HN 0.470 nan 8.190 nan 0.000 0.426 282 I N 4.668 125.252 120.570 0.023 0.000 2.493 282 I HA 0.683 4.854 4.170 0.000 0.000 0.298 282 I C -0.690 175.424 176.117 -0.005 0.000 0.998 282 I CA -0.830 60.478 61.300 0.014 0.000 1.137 282 I CB 2.191 40.199 38.000 0.013 0.000 1.310 282 I HN 0.394 nan 8.210 nan 0.000 0.445 283 V N 6.930 126.844 119.914 0.001 0.000 2.808 283 V HA 0.565 4.685 4.120 0.000 0.000 0.308 283 V C -1.336 174.752 176.094 -0.011 0.000 1.099 283 V CA -0.312 61.980 62.300 -0.012 0.000 0.920 283 V CB 2.162 33.993 31.823 0.013 0.000 1.014 283 V HN 0.785 nan 8.190 nan 0.000 0.425 284 N N 3.057 121.744 118.700 -0.022 0.000 2.284 284 N HA 0.408 5.148 4.740 0.000 0.000 0.289 284 N C -1.629 173.868 175.510 -0.022 0.000 1.179 284 N CA -0.469 52.577 53.050 -0.006 0.000 0.774 284 N CB 2.469 40.963 38.487 0.013 0.000 1.548 284 N HN 0.947 nan 8.380 nan 0.000 0.473 285 D N -0.124 120.272 120.400 -0.005 0.000 2.360 285 D HA 0.092 4.732 4.640 0.000 0.000 0.242 285 D C 1.263 177.625 176.300 0.103 0.000 1.184 285 D CA -0.292 53.716 54.000 0.013 0.000 0.930 285 D CB 0.781 41.577 40.800 -0.008 0.000 1.161 285 D HN 0.199 nan 8.370 nan 0.000 0.447 286 M N -0.255 119.442 119.600 0.163 0.000 2.394 286 M HA -0.016 4.464 4.480 0.000 0.000 0.264 286 M C 1.685 178.163 176.300 0.296 0.000 1.073 286 M CA 0.815 56.254 55.300 0.232 0.000 1.111 286 M CB -1.186 31.590 32.600 0.292 0.000 1.401 286 M HN 0.675 nan 8.290 nan 0.000 0.448 287 W N 1.978 123.343 121.300 0.109 0.000 2.379 287 W HA -0.188 4.472 4.660 0.000 0.000 0.307 287 W C 1.616 178.244 176.519 0.181 0.000 1.200 287 W CA 1.446 58.880 57.345 0.149 0.000 1.297 287 W CB -0.082 29.420 29.460 0.071 0.000 1.140 287 W HN 0.330 nan 8.180 nan 0.000 0.507 288 E N 0.588 120.880 120.200 0.153 0.000 2.058 288 E HA -0.273 4.077 4.350 0.000 0.000 0.194 288 E C 2.018 178.607 176.600 -0.019 0.000 0.997 288 E CA 2.035 58.447 56.400 0.020 0.000 0.801 288 E CB -0.599 29.134 29.700 0.055 0.000 0.746 288 E HN 0.301 nan 8.360 nan 0.000 0.450 289 I N 0.655 121.254 120.570 0.049 0.000 2.208 289 I HA -0.288 3.882 4.170 0.000 0.000 0.245 289 I C 2.281 178.425 176.117 0.044 0.000 1.097 289 I CA 1.075 62.402 61.300 0.044 0.000 1.363 289 I CB -0.267 37.780 38.000 0.079 0.000 1.051 289 I HN 0.091 nan 8.210 nan 0.000 0.413 290 F N 2.099 121.990 119.950 -0.098 0.000 2.091 290 F HA -0.293 4.234 4.527 0.000 0.000 0.299 290 F C 2.334 177.979 175.800 -0.258 0.000 1.103 290 F CA 1.899 59.809 58.000 -0.150 0.000 1.228 290 F CB -0.500 38.366 39.000 -0.223 0.000 0.984 290 F HN 0.110 nan 8.300 nan 0.000 0.477 291 N N 0.425 118.850 118.700 -0.459 0.000 2.300 291 N HA -0.033 4.708 4.740 0.000 0.000 0.179 291 N C 1.904 177.231 175.510 -0.306 0.000 1.016 291 N CA 1.259 53.997 53.050 -0.520 0.000 0.876 291 N CB -0.521 37.692 38.487 -0.457 0.000 0.979 291 N HN 0.445 nan 8.380 nan 0.000 0.432 292 A N 0.408 123.111 122.820 -0.194 0.000 1.975 292 A HA 0.040 4.360 4.320 0.000 0.000 0.215 292 A C 1.943 179.459 177.584 -0.113 0.000 1.170 292 A CA 0.818 52.780 52.037 -0.125 0.000 0.656 292 A CB 0.071 19.026 19.000 -0.075 0.000 0.821 292 A HN 0.206 nan 8.150 nan 0.000 0.449 293 Q N -1.067 118.666 119.800 -0.112 0.000 2.322 293 Q HA 0.239 4.580 4.340 0.000 0.000 0.250 293 Q C -0.579 175.374 176.000 -0.078 0.000 0.853 293 Q CA -0.228 55.529 55.803 -0.077 0.000 0.951 293 Q CB 0.700 29.410 28.738 -0.046 0.000 1.114 293 Q HN 0.418 nan 8.270 nan 0.000 0.523 294 I N 4.343 124.845 120.570 -0.113 0.000 2.308 294 I HA 0.205 4.375 4.170 0.000 0.000 0.293 294 I C -2.114 173.914 176.117 -0.149 0.000 1.078 294 I CA -2.538 58.713 61.300 -0.082 0.000 1.292 294 I CB -0.258 37.735 38.000 -0.012 0.000 1.423 294 I HN -0.067 nan 8.210 nan 0.000 0.493 295 P HA 0.119 nan 4.420 nan 0.000 0.274 295 P C 0.684 177.929 177.300 -0.092 0.000 1.246 295 P CA -0.220 62.824 63.100 -0.092 0.000 0.795 295 P CB 1.371 33.037 31.700 -0.057 0.000 1.006 296 E N 1.230 121.379 120.200 -0.085 0.000 2.160 296 E HA -0.185 4.165 4.350 0.000 0.000 0.195 296 E C 1.791 178.365 176.600 -0.044 0.000 0.991 296 E CA 2.127 58.487 56.400 -0.068 0.000 0.810 296 E CB -0.844 28.824 29.700 -0.053 0.000 0.742 296 E HN 0.438 nan 8.360 nan 0.000 0.466 297 S N -0.120 115.557 115.700 -0.038 0.000 2.399 297 S HA -0.149 4.321 4.470 0.000 0.000 0.231 297 S C 1.770 176.350 174.600 -0.034 0.000 1.022 297 S CA 1.086 59.269 58.200 -0.029 0.000 0.983 297 S CB -0.285 62.900 63.200 -0.025 0.000 0.803 297 S HN 0.203 nan 8.310 nan 0.000 0.480 298 E N 1.527 121.704 120.200 -0.037 0.000 2.112 298 E HA 0.061 4.411 4.350 0.000 0.000 0.190 298 E C 2.340 178.879 176.600 -0.101 0.000 0.979 298 E CA 0.497 56.867 56.400 -0.051 0.000 0.814 298 E CB -0.238 29.474 29.700 0.021 0.000 0.762 298 E HN 0.598 nan 8.360 nan 0.000 0.460 299 R N 0.963 121.428 120.500 -0.058 0.000 2.081 299 R HA -0.083 4.257 4.340 0.000 0.000 0.235 299 R C 2.465 178.768 176.300 0.005 0.000 1.131 299 R CA 1.224 57.321 56.100 -0.006 0.000 0.960 299 R CB -0.129 30.173 30.300 0.003 0.000 0.856 299 R HN 0.008 nan 8.270 nan 0.000 0.436 300 K N 0.686 121.085 120.400 -0.002 0.000 1.991 300 K HA -0.217 4.103 4.320 0.000 0.000 0.212 300 K C 2.230 178.829 176.600 -0.001 0.000 1.049 300 K CA 1.567 57.864 56.287 0.016 0.000 0.932 300 K CB -0.120 32.384 32.500 0.006 0.000 0.717 300 K HN 0.040 nan 8.250 nan 0.000 0.441 301 R N 0.757 121.232 120.500 -0.041 0.000 2.094 301 R HA -0.155 4.186 4.340 0.000 0.000 0.239 301 R C 2.407 178.648 176.300 -0.099 0.000 1.137 301 R CA 1.683 57.749 56.100 -0.058 0.000 0.943 301 R CB -0.323 29.932 30.300 -0.074 0.000 0.850 301 R HN 0.216 nan 8.270 nan 0.000 0.433 302 L N 0.033 121.109 121.223 -0.245 0.000 2.046 302 L HA -0.176 4.164 4.340 0.000 0.000 0.208 302 L C 2.698 179.523 176.870 -0.075 0.000 1.077 302 L CA 1.379 55.951 54.840 -0.447 0.000 0.747 302 L CB -0.600 40.785 42.059 -1.124 0.000 0.896 302 L HN 0.296 nan 8.230 nan 0.000 0.432 303 R N 0.276 120.809 120.500 0.056 0.000 2.133 303 R HA -0.184 4.156 4.340 0.000 0.000 0.247 303 R C 2.458 178.901 176.300 0.238 0.000 1.151 303 R CA 1.944 58.182 56.100 0.231 0.000 0.971 303 R CB -0.397 30.055 30.300 0.254 0.000 0.866 303 R HN 0.497 nan 8.270 nan 0.000 0.447 304 S N -0.244 115.537 115.700 0.135 0.000 2.527 304 S HA 0.048 4.518 4.470 0.000 0.000 0.222 304 S C 1.861 176.533 174.600 0.120 0.000 0.985 304 S CA 0.295 58.561 58.200 0.111 0.000 0.921 304 S CB 0.007 63.245 63.200 0.063 0.000 0.772 304 S HN 0.202 nan 8.310 nan 0.000 0.529 305 L N -0.181 121.134 121.223 0.153 0.000 2.168 305 L HA 0.339 4.680 4.340 0.000 0.000 0.203 305 L C 1.202 178.186 176.870 0.189 0.000 1.078 305 L CA 0.565 55.506 54.840 0.169 0.000 0.780 305 L CB 0.020 42.218 42.059 0.232 0.000 0.939 305 L HN 0.364 nan 8.230 nan 0.000 0.451 306 Q N -0.442 119.530 119.800 0.286 0.000 2.536 306 Q HA 0.163 4.503 4.340 0.000 0.000 0.231 306 Q C -1.589 174.633 176.000 0.369 0.000 0.811 306 Q CA -0.413 55.551 55.803 0.268 0.000 0.966 306 Q CB 1.463 30.301 28.738 0.167 0.000 1.512 306 Q HN -0.021 nan 8.270 nan 0.000 0.456 307 F N 3.540 123.595 119.950 0.175 0.000 2.529 307 F HA 0.217 4.744 4.527 0.000 0.000 0.365 307 F C -0.533 175.373 175.800 0.176 0.000 1.102 307 F CA -0.084 58.015 58.000 0.165 0.000 1.271 307 F CB 0.564 39.626 39.000 0.103 0.000 1.120 307 F HN 0.539 nan 8.300 nan 0.000 0.579 308 L N 6.798 127.680 121.223 -0.569 0.000 2.270 308 L HA 0.277 4.617 4.340 0.000 0.000 0.286 308 L C 0.558 177.049 176.870 -0.631 0.000 1.059 308 L CA 0.054 54.628 54.840 -0.445 0.000 0.839 308 L CB 0.189 41.926 42.059 -0.538 0.000 1.221 308 L HN 0.596 nan 8.230 nan 0.000 0.431 309 D N 2.252 122.528 120.400 -0.207 0.000 2.224 309 D HA -0.033 4.608 4.640 0.000 0.000 0.205 309 D C -0.003 176.262 176.300 -0.058 0.000 0.965 309 D CA 1.123 55.102 54.000 -0.036 0.000 0.852 309 D CB 0.491 41.367 40.800 0.127 0.000 0.947 309 D HN 0.534 nan 8.370 nan 0.000 0.494 310 E N 0.816 120.958 120.200 -0.095 0.000 3.167 310 E HA 0.077 4.428 4.350 0.000 0.000 0.212 310 E C 0.972 177.499 176.600 -0.122 0.000 1.143 310 E CA -0.320 56.037 56.400 -0.072 0.000 1.002 310 E CB 1.146 30.821 29.700 -0.041 0.000 1.315 310 E HN 0.066 nan 8.360 nan 0.000 0.422 311 L N 1.440 122.578 121.223 -0.141 0.000 2.083 311 L HA -0.177 4.164 4.340 0.000 0.000 0.209 311 L C 2.138 178.908 176.870 -0.166 0.000 1.083 311 L CA 2.016 56.766 54.840 -0.150 0.000 0.752 311 L CB 0.029 42.054 42.059 -0.058 0.000 0.899 311 L HN 0.244 nan 8.230 nan 0.000 0.433 312 E N 0.200 120.315 120.200 -0.142 0.000 2.058 312 E HA -0.265 4.085 4.350 0.000 0.000 0.194 312 E C 2.019 178.502 176.600 -0.195 0.000 0.997 312 E CA 1.928 58.208 56.400 -0.200 0.000 0.801 312 E CB -0.248 29.377 29.700 -0.126 0.000 0.746 312 E HN 0.644 nan 8.360 nan 0.000 0.450 313 E N -0.371 119.760 120.200 -0.116 0.000 2.160 313 E HA -0.195 4.155 4.350 0.000 0.000 0.195 313 E C 2.017 178.586 176.600 -0.051 0.000 0.991 313 E CA 1.036 57.398 56.400 -0.063 0.000 0.810 313 E CB -0.202 29.480 29.700 -0.030 0.000 0.742 313 E HN 0.252 nan 8.360 nan 0.000 0.466 314 L N 1.718 122.878 121.223 -0.104 0.000 2.005 314 L HA -0.173 4.168 4.340 0.000 0.000 0.207 314 L C 2.279 179.076 176.870 -0.122 0.000 1.072 314 L CA 1.978 56.771 54.840 -0.079 0.000 0.744 314 L CB -0.462 41.494 42.059 -0.173 0.000 0.895 314 L HN -0.112 nan 8.230 nan 0.000 0.433 315 K N -0.760 119.386 120.400 -0.424 0.000 2.034 315 K HA -0.196 4.124 4.320 0.000 0.000 0.214 315 K C 1.812 178.182 176.600 -0.385 0.000 1.051 315 K CA 2.491 58.293 56.287 -0.807 0.000 0.931 315 K CB -0.382 31.069 32.500 -1.748 0.000 0.715 315 K HN 0.295 nan 8.250 nan 0.000 0.446 316 V N 1.606 121.370 119.914 -0.250 0.000 2.392 316 V HA -0.285 3.835 4.120 0.000 0.000 0.249 316 V C 2.467 178.631 176.094 0.117 0.000 1.059 316 V CA 2.163 64.426 62.300 -0.062 0.000 1.051 316 V CB -0.487 31.330 31.823 -0.010 0.000 0.658 316 V HN 0.511 nan 8.190 nan 0.000 0.455 317 M N -0.535 119.147 119.600 0.135 0.000 2.099 317 M HA -0.187 4.293 4.480 0.000 0.000 0.262 317 M C 2.278 178.769 176.300 0.319 0.000 1.067 317 M CA 1.757 57.235 55.300 0.298 0.000 1.124 317 M CB -0.165 32.628 32.600 0.322 0.000 1.353 317 M HN 0.222 nan 8.290 nan 0.000 0.410 318 Q N -0.188 119.746 119.800 0.223 0.000 2.369 318 Q HA -0.070 4.270 4.340 0.000 0.000 0.206 318 Q C 1.935 178.033 176.000 0.163 0.000 0.963 318 Q CA 1.843 57.812 55.803 0.276 0.000 0.894 318 Q CB -0.743 28.181 28.738 0.310 0.000 0.965 318 Q HN 0.732 nan 8.270 nan 0.000 0.475 319 T N -3.465 111.076 114.554 -0.022 0.000 3.113 319 T HA -0.063 4.287 4.350 0.000 0.000 0.263 319 T C 0.815 175.203 174.700 -0.519 0.000 1.143 319 T CA 0.828 62.795 62.100 -0.222 0.000 1.090 319 T CB -0.185 68.487 68.868 -0.327 0.000 0.922 319 T HN 0.301 nan 8.240 nan 0.000 0.521 320 H N -0.670 118.163 119.070 -0.395 0.000 2.542 320 H HA 0.396 4.952 4.556 0.000 0.000 0.283 320 H C -0.871 173.933 175.328 -0.874 0.000 1.059 320 H CA -0.479 55.103 56.048 -0.775 0.000 1.162 320 H CB 0.139 28.843 29.762 -1.762 0.000 1.539 320 H HN 0.395 nan 8.280 nan 0.000 0.543 321 Y N 0.774 120.957 120.300 -0.194 0.000 2.393 321 Y HA 0.385 4.935 4.550 0.000 0.000 0.341 321 Y C -0.260 175.428 175.900 -0.354 0.000 0.988 321 Y CA -1.706 56.201 58.100 -0.322 0.000 1.078 321 Y CB 1.319 39.630 38.460 -0.248 0.000 1.203 321 Y HN -0.049 nan 8.280 nan 0.000 0.453 322 I N 1.153 121.461 120.570 -0.436 0.000 2.740 322 I HA 0.683 4.854 4.170 0.000 0.000 0.303 322 I C -1.677 174.263 176.117 -0.295 0.000 1.044 322 I CA -1.321 59.764 61.300 -0.359 0.000 1.064 322 I CB 1.790 39.490 38.000 -0.499 0.000 1.249 322 I HN 0.403 nan 8.210 nan 0.000 0.433 323 L N 5.504 126.664 121.223 -0.105 0.000 2.319 323 L HA 0.678 5.018 4.340 0.000 0.000 0.281 323 L C -0.965 175.863 176.870 -0.070 0.000 1.005 323 L CA -0.468 54.369 54.840 -0.006 0.000 0.828 323 L CB 1.418 43.534 42.059 0.095 0.000 1.227 323 L HN 0.771 nan 8.230 nan 0.000 0.415 324 M N 5.049 124.585 119.600 -0.105 0.000 2.227 324 M HA 0.436 4.916 4.480 0.000 0.000 0.335 324 M C -1.429 174.770 176.300 -0.169 0.000 1.053 324 M CA -0.326 54.872 55.300 -0.169 0.000 0.973 324 M CB 1.228 33.665 32.600 -0.271 0.000 1.623 324 M HN 0.574 nan 8.290 nan 0.000 0.434 325 K N 3.528 123.857 120.400 -0.119 0.000 2.483 325 K HA 0.715 5.035 4.320 0.000 0.000 0.256 325 K C -1.033 175.542 176.600 -0.042 0.000 0.961 325 K CA -0.441 55.806 56.287 -0.068 0.000 0.873 325 K CB 1.794 34.281 32.500 -0.021 0.000 1.107 325 K HN 0.708 nan 8.250 nan 0.000 0.432 326 A N 3.590 126.408 122.820 -0.004 0.000 2.304 326 A HA 0.368 4.688 4.320 0.000 0.000 0.314 326 A C -0.830 176.964 177.584 0.351 0.000 1.187 326 A CA -0.649 51.470 52.037 0.138 0.000 0.810 326 A CB 0.788 19.827 19.000 0.066 0.000 1.183 326 A HN 0.672 nan 8.150 nan 0.000 0.487 327 Q N 1.266 121.263 119.800 0.329 0.000 2.337 327 Q HA 0.573 4.914 4.340 0.000 0.000 0.266 327 Q C -1.146 175.140 176.000 0.477 0.000 1.023 327 Q CA -0.401 55.583 55.803 0.301 0.000 0.829 327 Q CB 2.397 31.223 28.738 0.147 0.000 1.306 327 Q HN 0.863 nan 8.270 nan 0.000 0.449 328 W N 0.000 121.410 121.300 0.184 0.000 2.388 328 W HA 0.000 4.660 4.660 0.000 0.000 0.303 328 W CA 0.000 57.475 57.345 0.216 0.000 1.226 328 W CB 0.000 29.568 29.460 0.180 0.000 1.126 328 W HN 0.000 nan 8.180 nan 0.000 0.535