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 3a9y_1_B DATA FIRST_RESID 18 DATA SEQUENCE RKVYMDYNAT TPLEPEVIQA VTEAMKEAWG NPSSSYVAGR KAKDIINTAR DATA SEQUENCE ASLAKMIGGK PQDIIFTSGG TESNNLVIHS TVRCFHEQQX XXXXXXXXXX DATA SEQUENCE XXXXTRPHFI TCTVEHDSIR LPLEHLVEDQ VAEVTFVPVS KVNGQVEVED DATA SEQUENCE ILAAVRPTTC LVTIMLANNE TGVIMPISEI SRRIKALNQI RAASGLPRVL DATA SEQUENCE VHTDAAQALG KRRVDVEDLG VDFLTIVGHK FYGPRIGALY VRGVGKLTPL DATA SEQUENCE YPMLFGGGQE RNFRPGTENT PMIAGLGKAA DLVSENCETY EAHMRDIRDY DATA SEQUENCE LEERLEAEFG KRIHLNSRFP GVERLPNTCN FSIQGSQLRG YMVLAQCQTL DATA SEQUENCE LASVGASCHS DHEDRPSPVL LSCGIPVDVA RNAVRLSVGR STTRAEVDLI DATA SEQUENCE VQDLKQAVNQ LEGPV 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.332 176.300 0.053 0.000 0.893 18 R CA 0.000 56.126 56.100 0.042 0.000 0.921 18 R CB 0.000 30.320 30.300 0.034 0.000 0.687 19 K N 1.121 121.555 120.400 0.056 0.000 2.276 19 K HA 0.522 4.842 4.320 -0.000 0.000 0.259 19 K C -0.363 176.294 176.600 0.095 0.000 1.001 19 K CA -0.038 56.291 56.287 0.071 0.000 0.927 19 K CB 1.387 33.929 32.500 0.071 0.000 0.969 19 K HN 0.237 nan 8.250 nan 0.000 0.490 20 V N 2.942 122.921 119.914 0.108 0.000 2.376 20 V HA 0.099 4.219 4.120 -0.000 0.000 0.287 20 V C -0.888 175.300 176.094 0.156 0.000 1.015 20 V CA -0.920 61.462 62.300 0.135 0.000 0.834 20 V CB 0.836 32.728 31.823 0.115 0.000 1.001 20 V HN 0.555 nan 8.190 nan 0.000 0.428 21 Y N 6.025 126.345 120.300 0.033 0.000 2.365 21 Y HA 0.508 5.058 4.550 -0.000 0.000 0.340 21 Y C 0.566 176.460 175.900 -0.011 0.000 1.016 21 Y CA -0.277 57.786 58.100 -0.062 0.000 1.196 21 Y CB 1.142 39.483 38.460 -0.198 0.000 1.167 21 Y HN 0.607 nan 8.280 nan 0.000 0.509 22 M N 5.577 124.913 119.600 -0.440 0.000 3.404 22 M HA 0.122 4.601 4.480 -0.000 0.000 0.398 22 M C -0.785 175.261 176.300 -0.424 0.000 1.599 22 M CA 0.112 55.281 55.300 -0.218 0.000 0.696 22 M CB 0.575 33.170 32.600 -0.009 0.000 1.427 22 M HN 0.548 nan 8.290 nan 0.000 0.502 23 D N -0.867 118.891 120.400 -1.071 0.000 2.819 23 D HA 0.189 4.829 4.640 -0.000 0.000 0.326 23 D C 0.575 176.575 176.300 -0.500 0.000 1.408 23 D CA -0.057 53.509 54.000 -0.724 0.000 0.811 23 D CB 0.309 40.683 40.800 -0.711 0.000 1.148 23 D HN 0.225 nan 8.370 nan 0.000 0.457 24 Y N -0.123 120.069 120.300 -0.179 0.000 2.403 24 Y HA -0.060 4.490 4.550 -0.000 0.000 0.291 24 Y C 1.851 177.753 175.900 0.003 0.000 1.143 24 Y CA 0.749 58.884 58.100 0.058 0.000 1.257 24 Y CB -0.098 38.413 38.460 0.084 0.000 0.984 24 Y HN 0.090 nan 8.280 nan 0.000 0.550 25 N N -0.418 118.346 118.700 0.108 0.000 2.459 25 N HA -0.052 4.688 4.740 -0.000 0.000 0.181 25 N C 1.778 177.304 175.510 0.026 0.000 1.046 25 N CA 0.925 54.010 53.050 0.058 0.000 0.904 25 N CB -0.220 38.298 38.487 0.052 0.000 0.964 25 N HN 0.367 nan 8.380 nan 0.000 0.444 26 A N -1.281 121.557 122.820 0.031 0.000 1.903 26 A HA 0.157 4.477 4.320 -0.000 0.000 0.213 26 A C 1.082 178.737 177.584 0.118 0.000 1.185 26 A CA 1.146 53.217 52.037 0.056 0.000 0.628 26 A CB 0.127 19.151 19.000 0.039 0.000 0.830 26 A HN 0.236 nan 8.150 nan 0.000 0.446 27 T N -2.232 112.398 114.554 0.126 0.000 2.774 27 T HA 0.464 4.814 4.350 -0.000 0.000 0.325 27 T C -1.259 173.488 174.700 0.078 0.000 1.753 27 T CA 0.096 62.297 62.100 0.168 0.000 1.024 27 T CB 0.895 69.914 68.868 0.252 0.000 1.628 27 T HN 0.749 nan 8.240 nan 0.000 0.497 28 T N 1.572 116.093 114.554 -0.054 0.000 2.907 28 T HA 0.877 5.226 4.350 -0.000 0.000 0.292 28 T C -2.871 171.669 174.700 -0.267 0.000 1.043 28 T CA -1.635 60.313 62.100 -0.253 0.000 1.003 28 T CB 1.812 70.230 68.868 -0.751 0.000 1.084 28 T HN 0.521 nan 8.240 nan 0.000 0.483 29 P HA 0.364 nan 4.420 nan 0.000 0.276 29 P C -0.528 176.790 177.300 0.031 0.000 1.252 29 P CA -0.732 62.312 63.100 -0.095 0.000 0.802 29 P CB 0.829 32.510 31.700 -0.032 0.000 1.035 30 L N 1.329 122.583 121.223 0.052 0.000 2.349 30 L HA 0.213 4.553 4.340 -0.000 0.000 0.275 30 L C 1.268 178.231 176.870 0.155 0.000 1.115 30 L CA -0.522 54.378 54.840 0.101 0.000 0.820 30 L CB 0.146 42.229 42.059 0.041 0.000 1.135 30 L HN 0.320 nan 8.230 nan 0.000 0.445 31 E N 4.468 124.778 120.200 0.184 0.000 2.398 31 E HA 0.027 4.377 4.350 -0.000 0.000 0.263 31 E C -1.478 175.164 176.600 0.071 0.000 1.046 31 E CA -1.414 55.051 56.400 0.109 0.000 0.908 31 E CB 0.877 30.615 29.700 0.065 0.000 0.963 31 E HN 0.384 nan 8.360 nan 0.000 0.431 32 P HA -0.162 nan 4.420 nan 0.000 0.218 32 P C 0.696 178.018 177.300 0.037 0.000 1.148 32 P CA 1.351 64.474 63.100 0.038 0.000 0.822 32 P CB 0.362 32.079 31.700 0.028 0.000 0.784 33 E N -0.486 119.738 120.200 0.040 0.000 2.150 33 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 33 E C 2.086 178.715 176.600 0.049 0.000 0.985 33 E CA 0.583 57.008 56.400 0.042 0.000 0.814 33 E CB -0.348 29.379 29.700 0.045 0.000 0.752 33 E HN 0.051 nan 8.360 nan 0.000 0.466 34 V N 1.201 121.150 119.914 0.059 0.000 2.379 34 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 34 V C 2.150 178.269 176.094 0.042 0.000 1.044 34 V CA 1.374 63.710 62.300 0.060 0.000 1.036 34 V CB -0.279 31.590 31.823 0.076 0.000 0.664 34 V HN 0.279 nan 8.190 nan 0.000 0.453 35 I N 0.204 120.796 120.570 0.037 0.000 2.208 35 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 35 I C 3.070 179.201 176.117 0.023 0.000 1.097 35 I CA 1.944 63.259 61.300 0.025 0.000 1.363 35 I CB -0.878 37.135 38.000 0.022 0.000 1.051 35 I HN 0.469 nan 8.210 nan 0.000 0.413 36 Q N 0.898 120.714 119.800 0.027 0.000 2.061 36 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 36 Q C 2.442 178.458 176.000 0.026 0.000 0.984 36 Q CA 2.145 57.963 55.803 0.025 0.000 0.846 36 Q CB -1.230 27.524 28.738 0.026 0.000 0.902 36 Q HN 0.652 nan 8.270 nan 0.000 0.421 37 A N -0.015 122.823 122.820 0.030 0.000 1.902 37 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 37 A C 2.590 180.188 177.584 0.024 0.000 1.181 37 A CA 1.803 53.858 52.037 0.029 0.000 0.623 37 A CB -0.586 18.435 19.000 0.035 0.000 0.818 37 A HN 0.600 nan 8.150 nan 0.000 0.443 38 V N -0.286 119.640 119.914 0.020 0.000 2.343 38 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 38 V C 2.733 178.838 176.094 0.019 0.000 1.051 38 V CA 2.474 64.782 62.300 0.014 0.000 1.036 38 V CB -1.281 30.547 31.823 0.008 0.000 0.654 38 V HN 0.606 nan 8.190 nan 0.000 0.451 39 T N -0.286 114.280 114.554 0.020 0.000 2.708 39 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 39 T C 1.801 176.520 174.700 0.033 0.000 1.037 39 T CA 1.646 63.759 62.100 0.022 0.000 1.146 39 T CB -0.238 68.641 68.868 0.018 0.000 0.865 39 T HN 0.615 nan 8.240 nan 0.000 0.435 40 E N 1.169 121.389 120.200 0.034 0.000 2.110 40 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 40 E C 2.550 179.182 176.600 0.054 0.000 0.988 40 E CA 0.949 57.374 56.400 0.042 0.000 0.804 40 E CB -0.200 29.521 29.700 0.035 0.000 0.745 40 E HN 0.478 nan 8.360 nan 0.000 0.458 41 A N 1.279 124.126 122.820 0.045 0.000 1.930 41 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 41 A C 2.172 179.808 177.584 0.087 0.000 1.175 41 A CA 1.090 53.157 52.037 0.050 0.000 0.627 41 A CB -0.397 18.617 19.000 0.024 0.000 0.815 41 A HN 0.122 nan 8.150 nan 0.000 0.443 42 M N -0.740 118.905 119.600 0.075 0.000 2.149 42 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 42 M C 2.062 178.445 176.300 0.138 0.000 1.064 42 M CA 1.817 57.172 55.300 0.092 0.000 1.102 42 M CB -0.307 32.321 32.600 0.047 0.000 1.369 42 M HN 0.376 nan 8.290 nan 0.000 0.408 43 K N -0.314 120.159 120.400 0.121 0.000 2.067 43 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 43 K C 1.758 178.518 176.600 0.266 0.000 1.048 43 K CA 0.997 57.367 56.287 0.139 0.000 0.954 43 K CB 0.043 32.590 32.500 0.079 0.000 0.737 43 K HN 0.354 nan 8.250 nan 0.000 0.444 44 E N 0.163 120.481 120.200 0.197 0.000 2.190 44 E HA 0.050 4.400 4.350 -0.000 0.000 0.191 44 E C 0.330 176.988 176.600 0.097 0.000 0.978 44 E CA 0.336 56.836 56.400 0.165 0.000 0.839 44 E CB 0.518 30.267 29.700 0.083 0.000 0.787 44 E HN 0.152 nan 8.360 nan 0.000 0.473 45 A N 1.566 124.432 122.820 0.077 0.000 3.201 45 A HA 0.116 4.435 4.320 -0.000 0.000 0.312 45 A C 0.397 177.971 177.584 -0.015 0.000 1.011 45 A CA -0.750 51.258 52.037 -0.048 0.000 0.987 45 A CB -0.723 18.259 19.000 -0.030 0.000 1.060 45 A HN 0.442 nan 8.150 nan 0.000 0.505 46 W N 0.159 121.470 121.300 0.018 0.000 3.197 46 W HA 0.277 4.937 4.660 -0.000 0.000 0.274 46 W C 0.322 176.860 176.519 0.032 0.000 1.297 46 W CA 0.041 57.397 57.345 0.018 0.000 1.662 46 W CB -0.800 28.670 29.460 0.016 0.000 1.106 46 W HN 0.469 nan 8.180 nan 0.000 0.663 47 G N 2.608 111.060 108.800 -0.580 0.000 2.614 47 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.239 47 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.239 47 G C -0.160 174.657 174.900 -0.138 0.000 1.240 47 G CA -0.487 44.337 45.100 -0.460 0.000 0.842 47 G HN 0.066 nan 8.290 nan 0.000 0.584 48 N N 1.481 120.141 118.700 -0.067 0.000 2.438 48 N HA 0.093 4.833 4.740 -0.000 0.000 0.267 48 N C -1.431 174.008 175.510 -0.118 0.000 1.222 48 N CA -1.599 51.421 53.050 -0.050 0.000 0.930 48 N CB 1.539 40.013 38.487 -0.022 0.000 1.083 48 N HN 0.005 nan 8.380 nan 0.000 0.476 49 P HA -0.044 nan 4.420 nan 0.000 0.223 49 P C 0.641 177.878 177.300 -0.105 0.000 1.144 49 P CA 1.014 64.058 63.100 -0.093 0.000 0.783 49 P CB 0.394 32.061 31.700 -0.055 0.000 0.771 50 S N -1.873 113.764 115.700 -0.106 0.000 2.478 50 S HA 0.061 4.531 4.470 -0.000 0.000 0.222 50 S C 0.927 175.422 174.600 -0.175 0.000 1.008 50 S CA 0.161 58.297 58.200 -0.107 0.000 0.928 50 S CB -0.372 62.787 63.200 -0.068 0.000 0.781 50 S HN 0.125 nan 8.310 nan 0.000 0.518 51 S N 2.180 117.712 115.700 -0.279 0.000 2.549 51 S HA 0.105 4.575 4.470 -0.000 0.000 0.286 51 S C 1.224 175.499 174.600 -0.540 0.000 1.314 51 S CA -0.348 57.539 58.200 -0.523 0.000 1.062 51 S CB 1.006 63.637 63.200 -0.949 0.000 0.865 51 S HN 0.366 nan 8.310 nan 0.000 0.498 52 S N 1.691 117.120 115.700 -0.451 0.000 2.383 52 S HA -0.044 4.426 4.470 -0.000 0.000 0.227 52 S C 0.633 175.106 174.600 -0.211 0.000 1.026 52 S CA 0.939 58.991 58.200 -0.247 0.000 0.981 52 S CB -0.427 62.709 63.200 -0.106 0.000 0.818 52 S HN 0.805 nan 8.310 nan 0.000 0.472 53 Y N 0.619 120.894 120.300 -0.042 0.000 2.459 53 Y HA 0.279 4.829 4.550 -0.000 0.000 0.349 53 Y C 1.600 177.459 175.900 -0.069 0.000 1.266 53 Y CA -1.220 56.851 58.100 -0.048 0.000 1.483 53 Y CB -0.361 38.071 38.460 -0.047 0.000 1.362 53 Y HN -0.237 nan 8.280 nan 0.000 0.628 54 V N 1.023 121.030 119.914 0.155 0.000 2.317 54 V HA -0.413 3.706 4.120 -0.000 0.000 0.251 54 V C 2.490 178.594 176.094 0.016 0.000 1.065 54 V CA 2.667 65.000 62.300 0.055 0.000 1.049 54 V CB -1.647 30.198 31.823 0.038 0.000 0.651 54 V HN 1.037 nan 8.190 nan 0.000 0.450 55 A N 0.326 123.192 122.820 0.077 0.000 1.933 55 A HA -0.093 4.226 4.320 -0.000 0.000 0.218 55 A C 2.407 179.889 177.584 -0.170 0.000 1.175 55 A CA 2.013 53.990 52.037 -0.100 0.000 0.628 55 A CB -1.092 17.790 19.000 -0.196 0.000 0.814 55 A HN 0.556 nan 8.150 nan 0.000 0.444 56 G N -0.850 107.851 108.800 -0.166 0.000 2.403 56 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 56 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 56 G C 1.715 176.514 174.900 -0.168 0.000 1.154 56 G CA 0.596 45.550 45.100 -0.244 0.000 0.784 56 G HN 0.527 nan 8.290 nan 0.000 0.538 57 R N 0.288 120.707 120.500 -0.135 0.000 2.120 57 R HA -0.009 4.331 4.340 -0.000 0.000 0.234 57 R C 2.428 178.687 176.300 -0.069 0.000 1.123 57 R CA 1.211 57.259 56.100 -0.087 0.000 0.975 57 R CB -0.219 30.044 30.300 -0.062 0.000 0.866 57 R HN 0.344 nan 8.270 nan 0.000 0.446 58 K N 0.898 121.251 120.400 -0.078 0.000 2.057 58 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 58 K C 2.049 178.609 176.600 -0.066 0.000 1.050 58 K CA 1.337 57.584 56.287 -0.066 0.000 0.935 58 K CB -0.044 32.408 32.500 -0.080 0.000 0.715 58 K HN 0.126 nan 8.250 nan 0.000 0.439 59 A N 1.293 124.057 122.820 -0.093 0.000 1.898 59 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 59 A C 1.991 179.543 177.584 -0.054 0.000 1.181 59 A CA 1.741 53.733 52.037 -0.076 0.000 0.620 59 A CB -0.469 18.476 19.000 -0.093 0.000 0.819 59 A HN 0.276 nan 8.150 nan 0.000 0.442 60 K N 0.642 121.008 120.400 -0.055 0.000 2.063 60 K HA -0.186 4.133 4.320 -0.000 0.000 0.208 60 K C 1.275 177.869 176.600 -0.009 0.000 1.048 60 K CA 2.125 58.393 56.287 -0.031 0.000 0.928 60 K CB -0.479 31.998 32.500 -0.038 0.000 0.713 60 K HN 0.423 nan 8.250 nan 0.000 0.442 61 D N 0.156 120.548 120.400 -0.014 0.000 2.144 61 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 61 D C 1.985 178.292 176.300 0.012 0.000 0.984 61 D CA 1.251 55.252 54.000 0.002 0.000 0.834 61 D CB -0.140 40.658 40.800 -0.004 0.000 0.955 61 D HN 0.287 nan 8.370 nan 0.000 0.465 62 I N 0.641 121.210 120.570 -0.001 0.000 2.226 62 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 62 I C 2.298 178.421 176.117 0.010 0.000 1.100 62 I CA 0.788 62.089 61.300 0.002 0.000 1.374 62 I CB -0.110 37.882 38.000 -0.014 0.000 1.057 62 I HN -0.029 nan 8.210 nan 0.000 0.413 63 I N 0.618 121.187 120.570 -0.003 0.000 2.226 63 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 63 I C 2.200 178.398 176.117 0.135 0.000 1.100 63 I CA 1.192 62.500 61.300 0.013 0.000 1.374 63 I CB -0.576 37.422 38.000 -0.004 0.000 1.057 63 I HN 0.290 nan 8.210 nan 0.000 0.413 64 N N 0.502 119.261 118.700 0.099 0.000 2.120 64 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 64 N C 1.874 177.449 175.510 0.109 0.000 1.024 64 N CA 1.884 54.998 53.050 0.107 0.000 0.852 64 N CB -0.649 37.875 38.487 0.062 0.000 1.003 64 N HN 0.323 nan 8.380 nan 0.000 0.424 65 T N 1.037 115.642 114.554 0.085 0.000 2.746 65 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 65 T C 1.974 176.743 174.700 0.115 0.000 1.039 65 T CA 1.324 63.471 62.100 0.079 0.000 1.142 65 T CB -0.278 68.624 68.868 0.056 0.000 0.866 65 T HN 0.344 nan 8.240 nan 0.000 0.444 66 A N 1.434 124.345 122.820 0.152 0.000 1.930 66 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 66 A C 2.305 180.093 177.584 0.340 0.000 1.175 66 A CA 1.405 53.579 52.037 0.228 0.000 0.627 66 A CB -0.531 18.584 19.000 0.191 0.000 0.815 66 A HN 0.366 nan 8.150 nan 0.000 0.443 67 R N -0.475 120.250 120.500 0.376 0.000 2.096 67 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 67 R C 2.294 178.650 176.300 0.093 0.000 1.127 67 R CA 1.341 57.561 56.100 0.199 0.000 0.968 67 R CB -0.327 30.062 30.300 0.149 0.000 0.861 67 R HN 0.479 nan 8.270 nan 0.000 0.440 68 A N -0.234 122.645 122.820 0.099 0.000 1.930 68 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 68 A C 2.154 179.774 177.584 0.060 0.000 1.175 68 A CA 1.665 53.739 52.037 0.062 0.000 0.627 68 A CB -0.364 18.669 19.000 0.055 0.000 0.815 68 A HN 0.353 nan 8.150 nan 0.000 0.443 69 S N -0.195 115.557 115.700 0.088 0.000 2.356 69 S HA -0.130 4.339 4.470 -0.000 0.000 0.223 69 S C 1.785 176.427 174.600 0.069 0.000 1.032 69 S CA 1.589 59.838 58.200 0.082 0.000 1.005 69 S CB -0.393 62.875 63.200 0.113 0.000 0.867 69 S HN 0.382 nan 8.310 nan 0.000 0.449 70 L N 1.586 122.866 121.223 0.096 0.000 2.017 70 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 70 L C 2.628 179.503 176.870 0.008 0.000 1.073 70 L CA 1.690 56.568 54.840 0.063 0.000 0.745 70 L CB -1.114 40.991 42.059 0.077 0.000 0.894 70 L HN 0.292 nan 8.230 nan 0.000 0.432 71 A N -0.606 122.222 122.820 0.012 0.000 1.908 71 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 71 A C 2.435 180.008 177.584 -0.019 0.000 1.181 71 A CA 2.172 54.212 52.037 0.005 0.000 0.627 71 A CB -0.575 18.436 19.000 0.020 0.000 0.818 71 A HN 0.402 nan 8.150 nan 0.000 0.445 72 K N -0.904 119.490 120.400 -0.010 0.000 2.148 72 K HA -0.089 4.230 4.320 -0.000 0.000 0.204 72 K C 2.087 178.659 176.600 -0.046 0.000 1.050 72 K CA 1.441 57.715 56.287 -0.022 0.000 0.942 72 K CB -0.237 32.259 32.500 -0.007 0.000 0.724 72 K HN 0.548 nan 8.250 nan 0.000 0.446 73 M N 1.237 120.805 119.600 -0.054 0.000 2.117 73 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 73 M C 1.634 177.861 176.300 -0.120 0.000 1.065 73 M CA 1.718 56.962 55.300 -0.093 0.000 1.114 73 M CB -0.057 32.465 32.600 -0.131 0.000 1.361 73 M HN 0.305 nan 8.290 nan 0.000 0.408 74 I N -3.612 116.879 120.570 -0.131 0.000 3.928 74 I HA 0.426 4.595 4.170 -0.000 0.000 0.335 74 I C 0.953 176.959 176.117 -0.185 0.000 1.325 74 I CA 0.369 61.562 61.300 -0.178 0.000 1.107 74 I CB -0.437 37.419 38.000 -0.240 0.000 1.014 74 I HN 0.469 nan 8.210 nan 0.000 0.400 75 G N 1.367 110.092 108.800 -0.125 0.000 2.176 75 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.252 75 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.252 75 G C 0.359 175.200 174.900 -0.098 0.000 1.024 75 G CA 0.043 45.082 45.100 -0.101 0.000 0.755 75 G HN 0.838 nan 8.290 nan 0.000 0.507 76 G N -1.156 107.591 108.800 -0.088 0.000 2.828 76 G HA2 0.700 4.660 3.960 -0.000 0.000 0.244 76 G HA3 0.700 4.660 3.960 -0.000 0.000 0.244 76 G C -0.217 174.710 174.900 0.045 0.000 1.365 76 G CA -0.683 44.421 45.100 0.007 0.000 1.041 76 G HN 0.331 nan 8.290 nan 0.000 0.560 77 K N -0.126 120.328 120.400 0.091 0.000 2.281 77 K HA 0.310 4.630 4.320 -0.000 0.000 0.242 77 K C -1.828 174.794 176.600 0.037 0.000 0.971 77 K CA -1.638 54.676 56.287 0.045 0.000 0.834 77 K CB 2.776 35.294 32.500 0.030 0.000 1.181 77 K HN -0.017 nan 8.250 nan 0.000 0.435 78 P HA -0.259 nan 4.420 nan 0.000 0.216 78 P C 1.088 178.383 177.300 -0.008 0.000 1.153 78 P CA 1.450 64.556 63.100 0.010 0.000 0.858 78 P CB 0.215 31.928 31.700 0.022 0.000 0.789 79 Q N -0.830 118.968 119.800 -0.005 0.000 2.439 79 Q HA -0.152 4.188 4.340 -0.000 0.000 0.211 79 Q C 0.481 176.444 176.000 -0.062 0.000 0.978 79 Q CA 1.357 57.151 55.803 -0.016 0.000 0.897 79 Q CB -0.871 27.862 28.738 -0.008 0.000 0.956 79 Q HN 0.331 nan 8.270 nan 0.000 0.483 80 D N 0.461 120.820 120.400 -0.067 0.000 2.339 80 D HA 0.148 4.788 4.640 -0.000 0.000 0.217 80 D C 0.173 176.388 176.300 -0.141 0.000 1.050 80 D CA 0.077 53.980 54.000 -0.161 0.000 0.856 80 D CB 0.536 41.265 40.800 -0.118 0.000 0.922 80 D HN 0.210 nan 8.370 nan 0.000 0.518 81 I N 1.655 122.160 120.570 -0.109 0.000 2.359 81 I HA 0.337 4.507 4.170 -0.000 0.000 0.294 81 I C 0.215 176.172 176.117 -0.268 0.000 0.987 81 I CA -0.654 60.539 61.300 -0.178 0.000 1.225 81 I CB 1.528 39.384 38.000 -0.240 0.000 1.366 81 I HN -0.264 nan 8.210 nan 0.000 0.466 82 I N 6.053 126.474 120.570 -0.249 0.000 2.447 82 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 82 I C -0.603 175.414 176.117 -0.166 0.000 1.023 82 I CA -0.598 60.602 61.300 -0.167 0.000 1.083 82 I CB 1.676 39.638 38.000 -0.064 0.000 1.245 82 I HN 0.209 nan 8.210 nan 0.000 0.434 83 F N 4.194 124.186 119.950 0.070 0.000 2.429 83 F HA 0.406 4.932 4.527 -0.000 0.000 0.348 83 F C 1.082 176.914 175.800 0.053 0.000 1.109 83 F CA -0.133 57.906 58.000 0.065 0.000 1.232 83 F CB 1.187 40.222 39.000 0.057 0.000 1.157 83 F HN 0.423 nan 8.300 nan 0.000 0.564 84 T N -2.613 112.095 114.554 0.256 0.000 2.838 84 T HA 0.331 4.680 4.350 -0.000 0.000 0.292 84 T C 0.681 175.454 174.700 0.123 0.000 1.113 84 T CA -0.179 62.009 62.100 0.146 0.000 1.008 84 T CB 1.242 70.169 68.868 0.098 0.000 1.259 84 T HN 0.456 nan 8.240 nan 0.000 0.520 85 S N -0.845 114.899 115.700 0.074 0.000 2.515 85 S HA 0.494 4.964 4.470 -0.000 0.000 0.231 85 S C 1.157 175.787 174.600 0.050 0.000 0.987 85 S CA 0.362 58.591 58.200 0.049 0.000 0.936 85 S CB -0.883 62.332 63.200 0.026 0.000 0.766 85 S HN 1.785 nan 8.310 nan 0.000 0.528 86 G N -0.892 107.948 108.800 0.067 0.000 2.341 86 G HA2 0.408 4.368 3.960 -0.000 0.000 0.293 86 G HA3 0.408 4.368 3.960 -0.000 0.000 0.293 86 G C 0.411 175.353 174.900 0.070 0.000 1.298 86 G CA -0.211 44.932 45.100 0.072 0.000 0.868 86 G HN 0.404 nan 8.290 nan 0.000 0.540 87 G N -0.805 108.035 108.800 0.066 0.000 2.446 87 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.217 87 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.217 87 G C 1.792 176.711 174.900 0.031 0.000 1.168 87 G CA 2.640 47.763 45.100 0.038 0.000 0.771 87 G HN 0.996 nan 8.290 nan 0.000 0.551 88 T N 0.261 114.837 114.554 0.037 0.000 2.684 88 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 88 T C 2.107 176.825 174.700 0.030 0.000 1.036 88 T CA 1.609 63.739 62.100 0.051 0.000 1.148 88 T CB -0.195 68.712 68.868 0.064 0.000 0.863 88 T HN 0.534 nan 8.240 nan 0.000 0.436 89 E N 0.513 120.728 120.200 0.025 0.000 2.051 89 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 89 E C 2.426 179.028 176.600 0.005 0.000 0.991 89 E CA 1.211 57.617 56.400 0.009 0.000 0.799 89 E CB -0.077 29.632 29.700 0.015 0.000 0.748 89 E HN 0.341 nan 8.360 nan 0.000 0.449 90 S N 0.683 116.400 115.700 0.028 0.000 2.374 90 S HA -0.193 4.277 4.470 -0.000 0.000 0.227 90 S C 1.653 176.242 174.600 -0.018 0.000 1.037 90 S CA 1.630 59.848 58.200 0.030 0.000 1.024 90 S CB -0.477 62.773 63.200 0.082 0.000 0.861 90 S HN 0.371 nan 8.310 nan 0.000 0.456 91 N N 1.072 119.769 118.700 -0.005 0.000 2.142 91 N HA -0.003 4.737 4.740 -0.000 0.000 0.186 91 N C 1.658 177.105 175.510 -0.104 0.000 1.023 91 N CA 0.894 53.908 53.050 -0.059 0.000 0.852 91 N CB -0.144 38.364 38.487 0.035 0.000 0.998 91 N HN 0.381 nan 8.380 nan 0.000 0.424 92 N N 1.011 119.681 118.700 -0.050 0.000 2.166 92 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 92 N C 1.783 177.268 175.510 -0.042 0.000 1.019 92 N CA 0.626 53.650 53.050 -0.044 0.000 0.856 92 N CB -0.101 38.369 38.487 -0.029 0.000 0.993 92 N HN 0.152 nan 8.380 nan 0.000 0.426 93 L N 1.628 122.815 121.223 -0.059 0.000 2.017 93 L HA -0.112 4.227 4.340 -0.000 0.000 0.208 93 L C 2.182 179.004 176.870 -0.080 0.000 1.073 93 L CA 1.380 56.193 54.840 -0.044 0.000 0.745 93 L CB -0.749 41.284 42.059 -0.044 0.000 0.894 93 L HN -0.123 nan 8.230 nan 0.000 0.432 94 V N -0.027 119.744 119.914 -0.239 0.000 2.287 94 V HA -0.335 3.784 4.120 -0.000 0.000 0.248 94 V C 2.537 178.448 176.094 -0.304 0.000 1.053 94 V CA 2.333 64.341 62.300 -0.486 0.000 1.027 94 V CB -0.549 30.771 31.823 -0.839 0.000 0.646 94 V HN 0.451 nan 8.190 nan 0.000 0.447 95 I N -0.620 119.844 120.570 -0.176 0.000 2.202 95 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 95 I C 2.603 178.754 176.117 0.056 0.000 1.091 95 I CA 1.911 63.184 61.300 -0.046 0.000 1.368 95 I CB -0.690 37.206 38.000 -0.175 0.000 1.058 95 I HN 0.442 nan 8.210 nan 0.000 0.410 96 H N 0.321 119.370 119.070 -0.035 0.000 2.353 96 H HA -0.170 4.386 4.556 -0.000 0.000 0.300 96 H C 2.373 177.737 175.328 0.061 0.000 1.090 96 H CA 1.982 58.044 56.048 0.024 0.000 1.327 96 H CB 0.112 29.888 29.762 0.025 0.000 1.383 96 H HN 0.230 nan 8.280 nan 0.000 0.508 97 S N -0.468 115.323 115.700 0.152 0.000 2.368 97 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 97 S C 2.144 176.801 174.600 0.095 0.000 1.030 97 S CA 1.811 60.117 58.200 0.177 0.000 0.999 97 S CB -0.448 62.847 63.200 0.159 0.000 0.844 97 S HN 0.596 nan 8.310 nan 0.000 0.459 98 T N 1.698 116.270 114.554 0.030 0.000 2.720 98 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 98 T C 1.817 176.498 174.700 -0.033 0.000 1.037 98 T CA 1.584 63.689 62.100 0.008 0.000 1.144 98 T CB -0.516 68.340 68.868 -0.020 0.000 0.864 98 T HN 0.277 nan 8.240 nan 0.000 0.444 99 V N 1.410 121.313 119.914 -0.018 0.000 2.295 99 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 99 V C 2.619 178.527 176.094 -0.310 0.000 1.049 99 V CA 1.732 63.933 62.300 -0.165 0.000 1.024 99 V CB -0.557 31.188 31.823 -0.130 0.000 0.648 99 V HN 0.251 nan 8.190 nan 0.000 0.447 100 R N 0.057 120.390 120.500 -0.278 0.000 2.081 100 R HA -0.162 4.177 4.340 -0.000 0.000 0.235 100 R C 2.318 178.344 176.300 -0.457 0.000 1.131 100 R CA 2.205 58.099 56.100 -0.343 0.000 0.960 100 R CB -1.560 28.507 30.300 -0.389 0.000 0.856 100 R HN 0.562 nan 8.270 nan 0.000 0.436 101 C N -0.208 118.909 119.300 -0.305 0.000 2.413 101 C HA -0.121 4.339 4.460 -0.000 0.000 0.276 101 C C 2.514 177.480 174.990 -0.040 0.000 1.236 101 C CA 1.006 59.967 59.018 -0.097 0.000 1.735 101 C CB -1.533 26.344 27.740 0.229 0.000 2.031 101 C HN 0.641 nan 8.230 nan 0.000 0.474 102 F N 0.705 120.550 119.950 -0.177 0.000 2.134 102 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 102 F C 2.342 178.106 175.800 -0.059 0.000 1.097 102 F CA 2.373 60.286 58.000 -0.144 0.000 1.264 102 F CB -0.787 38.074 39.000 -0.232 0.000 1.001 102 F HN 0.443 nan 8.300 nan 0.000 0.479 103 H N -0.839 118.233 119.070 0.002 0.000 2.457 103 H HA -0.094 4.462 4.556 -0.000 0.000 0.294 103 H C 1.928 177.150 175.328 -0.175 0.000 1.064 103 H CA 0.871 56.864 56.048 -0.092 0.000 1.330 103 H CB 0.125 29.879 29.762 -0.012 0.000 1.395 103 H HN 0.312 nan 8.280 nan 0.000 0.541 104 E N 0.874 121.024 120.200 -0.084 0.000 2.076 104 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 104 E C 2.090 178.643 176.600 -0.079 0.000 0.979 104 E CA 0.588 56.935 56.400 -0.088 0.000 0.807 104 E CB -0.039 29.587 29.700 -0.123 0.000 0.761 104 E HN 0.638 nan 8.360 nan 0.000 0.454 105 Q N 0.462 120.190 119.800 -0.120 0.000 2.124 105 Q HA -0.103 4.236 4.340 -0.000 0.000 0.202 105 Q C 1.083 176.966 176.000 -0.195 0.000 0.977 105 Q CA 0.831 56.553 55.803 -0.136 0.000 0.850 105 Q CB 0.075 28.721 28.738 -0.154 0.000 0.901 105 Q HN 0.222 nan 8.270 nan 0.000 0.429 123 R N 3.933 124.502 120.500 0.114 0.000 2.832 123 R HA 0.701 5.041 4.340 -0.000 0.000 0.271 123 R C -2.565 173.378 176.300 -0.594 0.000 0.996 123 R CA -2.241 53.820 56.100 -0.065 0.000 0.977 123 R CB 1.379 31.670 30.300 -0.015 0.000 1.168 123 R HN 0.377 nan 8.270 nan 0.000 0.482 124 P HA -0.039 nan 4.420 nan 0.000 0.271 124 P C -1.206 175.821 177.300 -0.454 0.000 1.218 124 P CA 0.219 62.531 63.100 -1.313 0.000 0.780 124 P CB 0.802 31.815 31.700 -1.145 0.000 0.901 125 H N 2.349 121.130 119.070 -0.482 0.000 2.469 125 H HA 0.438 4.994 4.556 -0.000 0.000 0.342 125 H C -1.296 173.839 175.328 -0.322 0.000 1.115 125 H CA -0.642 55.265 56.048 -0.235 0.000 1.204 125 H CB 0.652 30.318 29.762 -0.160 0.000 1.492 125 H HN 0.193 nan 8.280 nan 0.000 0.499 126 F N 3.928 123.431 119.950 -0.745 0.000 2.522 126 F HA 0.461 4.988 4.527 -0.001 0.000 0.324 126 F C 0.017 175.357 175.800 -0.765 0.000 1.077 126 F CA -0.769 56.869 58.000 -0.603 0.000 0.944 126 F CB 1.687 40.440 39.000 -0.411 0.000 1.175 126 F HN 0.348 nan 8.300 nan 0.000 0.468 127 I N 1.766 122.172 120.570 -0.274 0.000 2.418 127 I HA 0.475 4.644 4.170 -0.000 0.000 0.287 127 I C -0.157 175.894 176.117 -0.111 0.000 1.008 127 I CA -0.152 61.024 61.300 -0.208 0.000 1.104 127 I CB 2.099 40.040 38.000 -0.099 0.000 1.264 127 I HN 0.616 nan 8.210 nan 0.000 0.438 128 T N 4.533 119.001 114.554 -0.143 0.000 2.654 128 T HA 0.587 4.937 4.350 -0.000 0.000 0.289 128 T C -1.085 173.616 174.700 0.002 0.000 1.062 128 T CA -0.436 61.628 62.100 -0.060 0.000 1.041 128 T CB 1.402 70.217 68.868 -0.089 0.000 1.417 128 T HN 0.790 nan 8.240 nan 0.000 0.510 129 C N 0.229 119.572 119.300 0.071 0.000 2.822 129 C HA 0.805 5.265 4.460 -0.000 0.000 0.341 129 C C 2.037 177.132 174.990 0.175 0.000 1.301 129 C CA 0.334 59.414 59.018 0.102 0.000 1.706 129 C CB 0.484 28.260 27.740 0.061 0.000 2.178 129 C HN 1.015 nan 8.230 nan 0.000 0.481 130 T N -1.154 113.485 114.554 0.141 0.000 3.160 130 T HA 0.011 4.360 4.350 -0.000 0.000 0.257 130 T C 0.767 175.512 174.700 0.075 0.000 1.147 130 T CA 1.098 63.270 62.100 0.120 0.000 1.064 130 T CB -0.763 68.147 68.868 0.070 0.000 0.949 130 T HN 1.667 nan 8.240 nan 0.000 0.526 131 V N -2.483 117.475 119.914 0.075 0.000 3.070 131 V HA 0.430 4.549 4.120 -0.000 0.000 0.345 131 V C 0.092 176.236 176.094 0.084 0.000 1.403 131 V CA -1.036 61.300 62.300 0.061 0.000 1.155 131 V CB -0.161 31.682 31.823 0.034 0.000 1.140 131 V HN 0.121 nan 8.190 nan 0.000 0.505 132 E N 1.348 121.614 120.200 0.111 0.000 2.410 132 E HA 0.161 4.511 4.350 -0.000 0.000 0.255 132 E C -0.038 176.655 176.600 0.155 0.000 1.194 132 E CA -0.084 56.398 56.400 0.137 0.000 0.955 132 E CB 0.584 30.377 29.700 0.154 0.000 0.988 132 E HN 0.629 nan 8.360 nan 0.000 0.461 133 H N 1.338 120.454 119.070 0.077 0.000 2.679 133 H HA -0.030 4.526 4.556 -0.000 0.000 0.369 133 H C 0.269 175.646 175.328 0.081 0.000 1.178 133 H CA -0.143 55.947 56.048 0.070 0.000 1.419 133 H CB 0.928 30.721 29.762 0.052 0.000 1.458 133 H HN 0.324 nan 8.280 nan 0.000 0.605 134 D N 1.604 121.757 120.400 -0.411 0.000 2.190 134 D HA -0.184 4.456 4.640 -0.000 0.000 0.200 134 D C 1.971 178.299 176.300 0.047 0.000 0.992 134 D CA 1.875 55.781 54.000 -0.158 0.000 0.854 134 D CB -0.196 40.468 40.800 -0.225 0.000 0.936 134 D HN 0.584 nan 8.370 nan 0.000 0.462 135 S N -0.746 115.129 115.700 0.291 0.000 2.603 135 S HA -0.024 4.446 4.470 -0.000 0.000 0.229 135 S C 1.649 176.337 174.600 0.147 0.000 0.972 135 S CA 0.213 58.557 58.200 0.241 0.000 0.935 135 S CB 0.189 63.561 63.200 0.286 0.000 0.769 135 S HN 0.134 nan 8.310 nan 0.000 0.536 136 I N 0.932 121.596 120.570 0.157 0.000 3.443 136 I HA 0.246 4.415 4.170 -0.000 0.000 0.277 136 I C 2.576 178.756 176.117 0.104 0.000 1.169 136 I CA 0.247 61.611 61.300 0.106 0.000 1.419 136 I CB -0.886 37.200 38.000 0.143 0.000 1.331 136 I HN 0.289 nan 8.210 nan 0.000 0.458 137 R N 1.466 122.051 120.500 0.142 0.000 2.082 137 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 137 R C 2.343 178.726 176.300 0.137 0.000 1.136 137 R CA 1.640 57.853 56.100 0.189 0.000 0.935 137 R CB -0.295 30.066 30.300 0.102 0.000 0.842 137 R HN 0.213 nan 8.270 nan 0.000 0.430 138 L N 0.852 122.115 121.223 0.067 0.000 2.046 138 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 138 L C -0.591 176.314 176.870 0.058 0.000 1.077 138 L CA 1.190 56.057 54.840 0.045 0.000 0.747 138 L CB -1.316 40.753 42.059 0.017 0.000 0.896 138 L HN 0.319 nan 8.230 nan 0.000 0.432 139 P HA -0.169 nan 4.420 nan 0.000 0.218 139 P C 1.894 179.197 177.300 0.004 0.000 1.149 139 P CA 1.436 64.542 63.100 0.011 0.000 0.817 139 P CB 0.116 31.796 31.700 -0.033 0.000 0.785 140 L N -0.081 121.125 121.223 -0.029 0.000 2.027 140 L HA -0.113 4.227 4.340 -0.000 0.000 0.206 140 L C 2.721 179.647 176.870 0.094 0.000 1.074 140 L CA 1.531 56.311 54.840 -0.100 0.000 0.745 140 L CB -0.992 40.993 42.059 -0.123 0.000 0.898 140 L HN -0.037 nan 8.230 nan 0.000 0.433 141 E N -0.868 119.465 120.200 0.222 0.000 2.118 141 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 141 E C 2.069 178.731 176.600 0.103 0.000 0.992 141 E CA 1.124 57.624 56.400 0.166 0.000 0.804 141 E CB -0.250 29.477 29.700 0.044 0.000 0.741 141 E HN 0.521 nan 8.360 nan 0.000 0.458 142 H N 1.155 120.229 119.070 0.007 0.000 2.353 142 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 142 H C 2.144 177.468 175.328 -0.007 0.000 1.090 142 H CA 1.151 57.197 56.048 -0.003 0.000 1.327 142 H CB 0.010 29.768 29.762 -0.008 0.000 1.383 142 H HN 0.139 nan 8.280 nan 0.000 0.508 143 L N 0.261 121.442 121.223 -0.070 0.000 2.083 143 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 143 L C 2.893 179.703 176.870 -0.101 0.000 1.083 143 L CA 0.820 55.581 54.840 -0.131 0.000 0.752 143 L CB -0.331 41.644 42.059 -0.139 0.000 0.899 143 L HN 0.131 nan 8.230 nan 0.000 0.433 144 V N -0.039 119.851 119.914 -0.039 0.000 2.270 144 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 144 V C 2.339 178.419 176.094 -0.024 0.000 1.043 144 V CA 1.832 64.135 62.300 0.005 0.000 1.014 144 V CB -0.505 31.370 31.823 0.086 0.000 0.645 144 V HN 0.453 nan 8.190 nan 0.000 0.447 145 E N 0.105 120.278 120.200 -0.045 0.000 2.118 145 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 145 E C 1.587 178.133 176.600 -0.090 0.000 0.992 145 E CA 1.479 57.845 56.400 -0.056 0.000 0.804 145 E CB -0.179 29.492 29.700 -0.047 0.000 0.741 145 E HN 0.579 nan 8.360 nan 0.000 0.458 146 D N 0.074 120.371 120.400 -0.171 0.000 2.349 146 D HA -0.026 4.613 4.640 -0.000 0.000 0.224 146 D C -0.019 176.234 176.300 -0.078 0.000 1.029 146 D CA 0.271 54.177 54.000 -0.157 0.000 0.879 146 D CB 0.198 40.830 40.800 -0.280 0.000 0.906 146 D HN 0.124 nan 8.370 nan 0.000 0.528 147 Q N -0.942 118.827 119.800 -0.053 0.000 2.481 147 Q HA -0.173 4.167 4.340 -0.000 0.000 0.272 147 Q C 0.903 176.905 176.000 0.003 0.000 1.157 147 Q CA 0.010 55.804 55.803 -0.015 0.000 0.935 147 Q CB -1.824 26.910 28.738 -0.006 0.000 1.338 147 Q HN 0.225 nan 8.270 nan 0.000 0.494 148 V N -1.560 118.350 119.914 -0.008 0.000 2.725 148 V HA 0.202 4.321 4.120 -0.000 0.000 0.247 148 V C 0.883 177.001 176.094 0.040 0.000 1.058 148 V CA 1.621 63.942 62.300 0.036 0.000 1.080 148 V CB 0.553 32.391 31.823 0.024 0.000 0.713 148 V HN 0.522 nan 8.190 nan 0.000 0.465 149 A N -0.733 122.096 122.820 0.014 0.000 2.569 149 A HA 0.722 5.042 4.320 -0.000 0.000 0.290 149 A C -1.064 176.547 177.584 0.045 0.000 1.136 149 A CA -0.658 51.398 52.037 0.032 0.000 0.710 149 A CB 1.413 20.482 19.000 0.116 0.000 1.303 149 A HN 0.231 nan 8.150 nan 0.000 0.413 150 E N -0.029 120.223 120.200 0.086 0.000 2.183 150 E HA 0.583 4.933 4.350 -0.000 0.000 0.271 150 E C -1.453 175.231 176.600 0.140 0.000 0.919 150 E CA -0.713 55.764 56.400 0.127 0.000 0.781 150 E CB 2.270 32.066 29.700 0.159 0.000 1.140 150 E HN 0.358 nan 8.360 nan 0.000 0.402 151 V N 2.043 121.993 119.914 0.059 0.000 2.638 151 V HA 0.284 4.404 4.120 -0.000 0.000 0.306 151 V C -0.361 175.647 176.094 -0.144 0.000 1.052 151 V CA -0.800 61.392 62.300 -0.180 0.000 0.885 151 V CB 2.211 33.754 31.823 -0.467 0.000 0.999 151 V HN 0.672 nan 8.190 nan 0.000 0.424 152 T N 5.143 119.575 114.554 -0.203 0.000 2.801 152 T HA 0.491 4.840 4.350 -0.000 0.000 0.306 152 T C -0.415 174.188 174.700 -0.162 0.000 1.020 152 T CA 0.047 62.138 62.100 -0.015 0.000 0.948 152 T CB -0.144 68.818 68.868 0.157 0.000 0.962 152 T HN 0.341 nan 8.240 nan 0.000 0.465 153 F N 3.002 122.972 119.950 0.034 0.000 2.515 153 F HA 0.251 4.778 4.527 -0.001 0.000 0.353 153 F C 0.720 176.534 175.800 0.024 0.000 1.213 153 F CA -0.873 57.139 58.000 0.020 0.000 1.194 153 F CB -0.033 38.972 39.000 0.009 0.000 1.488 153 F HN 0.221 nan 8.300 nan 0.000 0.619 154 V N 5.395 125.383 119.914 0.123 0.000 2.458 154 V HA -0.008 4.112 4.120 -0.000 0.000 0.287 154 V C -1.880 174.269 176.094 0.092 0.000 1.009 154 V CA -1.312 61.043 62.300 0.092 0.000 1.091 154 V CB -0.087 31.769 31.823 0.054 0.000 0.960 154 V HN 0.382 nan 8.190 nan 0.000 0.476 155 P HA 0.157 nan 4.420 nan 0.000 0.271 155 P C -0.242 177.080 177.300 0.037 0.000 1.216 155 P CA -0.046 63.088 63.100 0.057 0.000 0.776 155 P CB 0.667 32.395 31.700 0.047 0.000 0.881 156 V N 0.562 120.489 119.914 0.022 0.000 3.003 156 V HA 0.326 4.446 4.120 -0.000 0.000 0.305 156 V C 0.550 176.642 176.094 -0.003 0.000 1.078 156 V CA -0.582 61.716 62.300 -0.004 0.000 1.083 156 V CB 0.965 32.767 31.823 -0.036 0.000 1.039 156 V HN 0.543 nan 8.190 nan 0.000 0.481 157 S N 1.479 117.171 115.700 -0.013 0.000 2.525 157 S HA 0.155 4.625 4.470 -0.000 0.000 0.285 157 S C 0.819 175.431 174.600 0.020 0.000 1.283 157 S CA -0.170 58.033 58.200 0.006 0.000 1.072 157 S CB 0.120 63.324 63.200 0.006 0.000 0.867 157 S HN 0.847 nan 8.310 nan 0.000 0.492 158 K N 3.583 124.013 120.400 0.050 0.000 2.551 158 K HA 0.064 4.384 4.320 -0.000 0.000 0.192 158 K C 1.109 177.790 176.600 0.135 0.000 1.027 158 K CA 0.217 56.556 56.287 0.087 0.000 1.059 158 K CB 0.048 32.590 32.500 0.069 0.000 0.831 158 K HN 0.488 nan 8.250 nan 0.000 0.508 159 V N 1.502 121.488 119.914 0.120 0.000 2.521 159 V HA -0.128 3.991 4.120 -0.000 0.000 0.239 159 V C 1.242 177.488 176.094 0.254 0.000 1.053 159 V CA 1.384 63.775 62.300 0.151 0.000 1.073 159 V CB -0.083 31.797 31.823 0.095 0.000 0.746 159 V HN 0.444 nan 8.190 nan 0.000 0.476 160 N N 0.185 118.981 118.700 0.161 0.000 2.187 160 N HA 0.197 4.937 4.740 -0.000 0.000 0.212 160 N C 1.303 176.594 175.510 -0.364 0.000 1.152 160 N CA 0.563 53.698 53.050 0.142 0.000 0.872 160 N CB 0.476 39.003 38.487 0.066 0.000 1.025 160 N HN 0.407 nan 8.380 nan 0.000 0.514 161 G N 0.036 108.576 108.800 -0.433 0.000 2.233 161 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.270 161 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.270 161 G C -0.308 174.317 174.900 -0.457 0.000 1.011 161 G CA 0.872 45.533 45.100 -0.732 0.000 0.762 161 G HN 0.726 nan 8.290 nan 0.000 0.511 162 Q N -0.682 118.965 119.800 -0.255 0.000 2.345 162 Q HA 0.652 4.992 4.340 -0.000 0.000 0.268 162 Q C 0.029 175.984 176.000 -0.074 0.000 1.054 162 Q CA -0.863 54.851 55.803 -0.148 0.000 0.835 162 Q CB 2.302 30.975 28.738 -0.108 0.000 1.339 162 Q HN 0.424 nan 8.270 nan 0.000 0.447 163 V N 3.219 123.105 119.914 -0.046 0.000 2.715 163 V HA 0.151 4.271 4.120 -0.000 0.000 0.299 163 V C -0.600 175.488 176.094 -0.010 0.000 1.054 163 V CA 0.105 62.396 62.300 -0.016 0.000 1.077 163 V CB 1.304 33.127 31.823 -0.000 0.000 0.972 163 V HN 0.812 nan 8.190 nan 0.000 0.484 164 E N 4.577 124.777 120.200 0.001 0.000 2.197 164 E HA 0.231 4.581 4.350 -0.000 0.000 0.281 164 E C 0.914 177.520 176.600 0.010 0.000 0.995 164 E CA -0.410 55.993 56.400 0.005 0.000 0.808 164 E CB 1.907 31.613 29.700 0.009 0.000 1.093 164 E HN 0.538 nan 8.360 nan 0.000 0.394 165 V N 2.833 122.752 119.914 0.008 0.000 2.282 165 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 165 V C 1.988 178.090 176.094 0.014 0.000 1.057 165 V CA 1.794 64.101 62.300 0.011 0.000 1.032 165 V CB -0.335 31.494 31.823 0.009 0.000 0.645 165 V HN 0.583 nan 8.190 nan 0.000 0.447 166 E N -0.116 120.093 120.200 0.014 0.000 2.110 166 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 166 E C 1.983 178.595 176.600 0.019 0.000 0.988 166 E CA 1.316 57.725 56.400 0.016 0.000 0.804 166 E CB -0.494 29.215 29.700 0.015 0.000 0.745 166 E HN 0.635 nan 8.360 nan 0.000 0.458 167 D N 0.468 120.881 120.400 0.021 0.000 2.178 167 D HA -0.076 4.563 4.640 -0.000 0.000 0.202 167 D C 2.127 178.446 176.300 0.031 0.000 0.974 167 D CA 0.570 54.586 54.000 0.026 0.000 0.841 167 D CB -0.064 40.752 40.800 0.027 0.000 0.953 167 D HN 0.233 nan 8.370 nan 0.000 0.478 168 I N 0.562 121.149 120.570 0.027 0.000 2.233 168 I HA -0.193 3.976 4.170 -0.000 0.000 0.243 168 I C 2.299 178.436 176.117 0.034 0.000 1.093 168 I CA 0.423 61.740 61.300 0.030 0.000 1.380 168 I CB 0.007 38.021 38.000 0.023 0.000 1.067 168 I HN 0.002 nan 8.210 nan 0.000 0.413 169 L N 0.648 121.887 121.223 0.027 0.000 2.141 169 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 169 L C 2.770 179.657 176.870 0.027 0.000 1.094 169 L CA 1.842 56.697 54.840 0.026 0.000 0.763 169 L CB -1.403 40.667 42.059 0.019 0.000 0.908 169 L HN 0.240 nan 8.230 nan 0.000 0.437 170 A N -0.390 122.446 122.820 0.026 0.000 2.067 170 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 170 A C 2.360 179.961 177.584 0.029 0.000 1.158 170 A CA 1.333 53.384 52.037 0.023 0.000 0.661 170 A CB -0.325 18.688 19.000 0.022 0.000 0.801 170 A HN 0.378 nan 8.150 nan 0.000 0.452 171 A N -0.531 122.318 122.820 0.048 0.000 2.123 171 A HA 0.361 4.681 4.320 -0.000 0.000 0.214 171 A C 0.889 178.534 177.584 0.101 0.000 1.152 171 A CA 0.233 52.318 52.037 0.079 0.000 0.728 171 A CB -0.450 18.620 19.000 0.116 0.000 0.814 171 A HN 0.251 nan 8.150 nan 0.000 0.464 172 V N 1.886 121.845 119.914 0.075 0.000 2.540 172 V HA 0.097 4.217 4.120 -0.000 0.000 0.297 172 V C 0.610 176.708 176.094 0.008 0.000 1.024 172 V CA 0.416 62.759 62.300 0.072 0.000 1.105 172 V CB -0.151 31.701 31.823 0.048 0.000 0.938 172 V HN 0.543 nan 8.190 nan 0.000 0.482 173 R N 4.810 125.296 120.500 -0.023 0.000 2.923 173 R HA 0.419 4.758 4.340 -0.000 0.000 0.252 173 R C -1.907 174.384 176.300 -0.016 0.000 1.130 173 R CA -1.880 54.172 56.100 -0.080 0.000 1.043 173 R CB 0.381 30.541 30.300 -0.234 0.000 1.205 173 R HN 0.279 nan 8.270 nan 0.000 0.495 174 P HA -0.135 nan 4.420 nan 0.000 0.219 174 P C 0.786 178.125 177.300 0.065 0.000 1.146 174 P CA 1.369 64.484 63.100 0.026 0.000 0.808 174 P CB 0.144 31.858 31.700 0.023 0.000 0.779 175 T N -6.022 108.566 114.554 0.057 0.000 3.107 175 T HA 0.082 4.432 4.350 -0.000 0.000 0.249 175 T C 0.686 175.412 174.700 0.044 0.000 1.096 175 T CA -0.028 62.137 62.100 0.108 0.000 1.012 175 T CB -1.157 67.741 68.868 0.051 0.000 0.977 175 T HN -0.081 nan 8.240 nan 0.000 0.527 176 T N 1.518 116.115 114.554 0.073 0.000 2.853 176 T HA 0.173 4.523 4.350 -0.000 0.000 0.298 176 T C 0.928 175.601 174.700 -0.045 0.000 0.978 176 T CA -0.429 61.717 62.100 0.076 0.000 1.152 176 T CB 0.571 69.532 68.868 0.155 0.000 0.914 176 T HN 0.430 nan 8.240 nan 0.000 0.539 177 C N 3.094 122.261 119.300 -0.222 0.000 2.628 177 C HA 0.527 4.987 4.460 -0.000 0.000 0.393 177 C C 0.283 175.148 174.990 -0.208 0.000 1.328 177 C CA -0.390 58.498 59.018 -0.216 0.000 2.079 177 C CB -0.428 27.091 27.740 -0.368 0.000 2.663 177 C HN 0.738 nan 8.230 nan 0.000 0.557 178 L N 0.040 121.063 121.223 -0.334 0.000 2.472 178 L HA 0.717 5.057 4.340 -0.000 0.000 0.260 178 L C -1.457 175.365 176.870 -0.080 0.000 0.963 178 L CA -0.170 54.577 54.840 -0.155 0.000 0.829 178 L CB 1.776 43.737 42.059 -0.163 0.000 1.348 178 L HN -0.095 nan 8.230 nan 0.000 0.408 179 V N 3.002 122.931 119.914 0.026 0.000 2.357 179 V HA 0.569 4.689 4.120 -0.000 0.000 0.284 179 V C -0.167 175.992 176.094 0.108 0.000 1.018 179 V CA -0.338 61.986 62.300 0.039 0.000 0.841 179 V CB 1.533 33.378 31.823 0.037 0.000 0.991 179 V HN 0.817 nan 8.190 nan 0.000 0.437 180 T N 6.998 121.620 114.554 0.114 0.000 2.833 180 T HA 0.668 5.018 4.350 -0.000 0.000 0.297 180 T C -0.941 173.826 174.700 0.110 0.000 1.015 180 T CA -0.370 61.842 62.100 0.186 0.000 0.963 180 T CB 0.092 69.120 68.868 0.265 0.000 0.955 180 T HN 0.357 nan 8.240 nan 0.000 0.449 181 I N 6.215 126.826 120.570 0.068 0.000 2.533 181 I HA 0.357 4.527 4.170 -0.000 0.000 0.290 181 I C 0.473 176.591 176.117 0.002 0.000 1.056 181 I CA -1.096 60.226 61.300 0.036 0.000 1.057 181 I CB 2.061 40.074 38.000 0.020 0.000 1.240 181 I HN 0.798 nan 8.210 nan 0.000 0.423 182 M N 4.680 124.291 119.600 0.019 0.000 2.245 182 M HA 0.154 4.634 4.480 -0.000 0.000 0.344 182 M C 0.452 176.743 176.300 -0.014 0.000 1.170 182 M CA 0.051 55.353 55.300 0.003 0.000 1.135 182 M CB 1.228 33.850 32.600 0.037 0.000 1.574 182 M HN 0.537 nan 8.290 nan 0.000 0.452 183 L N 3.841 125.046 121.223 -0.030 0.000 2.056 183 L HA 0.268 4.607 4.340 -0.000 0.000 0.207 183 L C 0.527 177.389 176.870 -0.013 0.000 1.078 183 L CA 1.934 56.757 54.840 -0.028 0.000 0.749 183 L CB -0.361 41.675 42.059 -0.039 0.000 0.901 183 L HN 0.939 nan 8.230 nan 0.000 0.433 184 A N -0.487 122.332 122.820 -0.003 0.000 2.486 184 A HA 0.402 4.722 4.320 -0.000 0.000 0.300 184 A C -0.816 176.780 177.584 0.019 0.000 1.048 184 A CA -0.687 51.355 52.037 0.008 0.000 0.696 184 A CB 0.535 19.544 19.000 0.015 0.000 1.278 184 A HN 0.204 nan 8.150 nan 0.000 0.405 185 N N 1.740 120.452 118.700 0.020 0.000 2.488 185 N HA -0.015 4.725 4.740 -0.000 0.000 0.274 185 N C 0.523 176.064 175.510 0.051 0.000 1.111 185 N CA -0.188 52.883 53.050 0.035 0.000 0.974 185 N CB 0.830 39.329 38.487 0.020 0.000 1.089 185 N HN 0.773 nan 8.380 nan 0.000 0.465 186 N N 3.596 122.335 118.700 0.065 0.000 2.381 186 N HA -0.145 4.595 4.740 -0.000 0.000 0.182 186 N C 0.504 176.054 175.510 0.066 0.000 1.025 186 N CA 1.252 54.342 53.050 0.066 0.000 0.888 186 N CB 0.060 38.598 38.487 0.085 0.000 0.965 186 N HN 0.656 nan 8.380 nan 0.000 0.438 187 E N -0.112 120.130 120.200 0.071 0.000 2.162 187 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 187 E C 1.586 178.240 176.600 0.090 0.000 0.953 187 E CA 1.394 57.837 56.400 0.072 0.000 0.849 187 E CB 0.174 29.919 29.700 0.076 0.000 0.810 187 E HN 0.611 nan 8.360 nan 0.000 0.470 188 T N -3.233 111.383 114.554 0.104 0.000 3.039 188 T HA 0.235 4.585 4.350 -0.000 0.000 0.250 188 T C 1.676 176.457 174.700 0.136 0.000 1.052 188 T CA 0.686 62.880 62.100 0.156 0.000 1.125 188 T CB 0.681 69.664 68.868 0.193 0.000 0.908 188 T HN 0.275 nan 8.240 nan 0.000 0.473 189 G N 0.952 109.805 108.800 0.088 0.000 2.195 189 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.246 189 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.246 189 G C 0.142 175.077 174.900 0.058 0.000 0.984 189 G CA -0.082 45.063 45.100 0.075 0.000 0.633 189 G HN 0.722 nan 8.290 nan 0.000 0.525 190 V N 2.917 122.854 119.914 0.039 0.000 2.617 190 V HA 0.187 4.307 4.120 -0.000 0.000 0.304 190 V C 1.173 177.257 176.094 -0.017 0.000 1.040 190 V CA 0.009 62.303 62.300 -0.011 0.000 1.149 190 V CB 0.799 32.533 31.823 -0.148 0.000 0.914 190 V HN 0.281 nan 8.190 nan 0.000 0.487 191 I N 6.092 126.657 120.570 -0.009 0.000 2.365 191 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 191 I C 0.285 176.389 176.117 -0.023 0.000 1.004 191 I CA -0.421 60.873 61.300 -0.009 0.000 1.311 191 I CB 1.291 39.291 38.000 -0.000 0.000 1.401 191 I HN 0.478 nan 8.210 nan 0.000 0.491 192 M N 7.939 127.526 119.600 -0.022 0.000 2.342 192 M HA 0.322 4.802 4.480 -0.000 0.000 0.332 192 M C -1.977 174.313 176.300 -0.017 0.000 1.166 192 M CA -2.638 52.648 55.300 -0.023 0.000 1.086 192 M CB 0.522 33.110 32.600 -0.019 0.000 1.541 192 M HN 0.220 nan 8.290 nan 0.000 0.462 193 P HA 0.075 nan 4.420 nan 0.000 0.232 193 P C 0.817 178.112 177.300 -0.008 0.000 1.738 193 P CA -0.039 63.056 63.100 -0.009 0.000 0.948 193 P CB -0.340 31.356 31.700 -0.005 0.000 1.943 194 I N 1.367 121.930 120.570 -0.012 0.000 2.151 194 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 194 I C 2.598 178.709 176.117 -0.010 0.000 1.080 194 I CA 2.107 63.400 61.300 -0.013 0.000 1.339 194 I CB -1.935 36.050 38.000 -0.024 0.000 1.039 194 I HN 0.240 nan 8.210 nan 0.000 0.409 195 S N 0.570 116.262 115.700 -0.014 0.000 2.370 195 S HA -0.251 4.219 4.470 -0.000 0.000 0.226 195 S C 1.946 176.543 174.600 -0.006 0.000 1.033 195 S CA 1.587 59.780 58.200 -0.012 0.000 1.011 195 S CB -0.473 62.718 63.200 -0.016 0.000 0.852 195 S HN 0.429 nan 8.310 nan 0.000 0.457 196 E N 1.347 121.545 120.200 -0.004 0.000 2.106 196 E HA 0.060 4.410 4.350 -0.000 0.000 0.192 196 E C 1.818 178.420 176.600 0.004 0.000 0.984 196 E CA 1.155 57.555 56.400 -0.000 0.000 0.806 196 E CB -0.476 29.225 29.700 0.001 0.000 0.750 196 E HN 0.703 nan 8.360 nan 0.000 0.458 197 I N -0.093 120.480 120.570 0.005 0.000 2.179 197 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 197 I C 2.264 178.389 176.117 0.013 0.000 1.088 197 I CA 1.168 62.474 61.300 0.010 0.000 1.357 197 I CB -0.305 37.702 38.000 0.012 0.000 1.051 197 I HN 0.060 nan 8.210 nan 0.000 0.409 198 S N 0.189 115.896 115.700 0.011 0.000 2.368 198 S HA -0.214 4.256 4.470 -0.000 0.000 0.225 198 S C 2.082 176.687 174.600 0.009 0.000 1.030 198 S CA 1.296 59.504 58.200 0.014 0.000 0.999 198 S CB -0.354 62.852 63.200 0.010 0.000 0.844 198 S HN 0.364 nan 8.310 nan 0.000 0.459 199 R N 0.914 121.417 120.500 0.005 0.000 2.073 199 R HA -0.026 4.314 4.340 -0.000 0.000 0.234 199 R C 2.287 178.590 176.300 0.005 0.000 1.134 199 R CA 1.026 57.128 56.100 0.003 0.000 0.952 199 R CB -0.082 30.219 30.300 0.001 0.000 0.850 199 R HN 0.157 nan 8.270 nan 0.000 0.433 200 R N 0.510 121.014 120.500 0.007 0.000 2.092 200 R HA -0.050 4.290 4.340 -0.000 0.000 0.231 200 R C 2.222 178.529 176.300 0.011 0.000 1.119 200 R CA 0.816 56.921 56.100 0.009 0.000 0.970 200 R CB -0.461 29.845 30.300 0.010 0.000 0.864 200 R HN 0.321 nan 8.270 nan 0.000 0.440 201 I N 1.166 121.744 120.570 0.014 0.000 2.315 201 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 201 I C 2.409 178.534 176.117 0.013 0.000 1.117 201 I CA 1.099 62.409 61.300 0.016 0.000 1.404 201 I CB -0.802 37.212 38.000 0.022 0.000 1.071 201 I HN 0.185 nan 8.210 nan 0.000 0.419 202 K N 1.380 121.786 120.400 0.010 0.000 2.026 202 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 202 K C 2.223 178.826 176.600 0.005 0.000 1.048 202 K CA 1.651 57.941 56.287 0.006 0.000 0.929 202 K CB 0.001 32.503 32.500 0.003 0.000 0.713 202 K HN 0.204 nan 8.250 nan 0.000 0.439 203 A N 1.546 124.369 122.820 0.006 0.000 1.865 203 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 203 A C 2.087 179.675 177.584 0.007 0.000 1.191 203 A CA 1.641 53.681 52.037 0.005 0.000 0.623 203 A CB -0.771 18.232 19.000 0.005 0.000 0.826 203 A HN 0.429 nan 8.150 nan 0.000 0.444 204 L N 0.232 121.461 121.223 0.009 0.000 2.131 204 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 204 L C 1.669 178.545 176.870 0.010 0.000 1.092 204 L CA 2.089 56.935 54.840 0.010 0.000 0.759 204 L CB -0.828 41.239 42.059 0.013 0.000 0.903 204 L HN 0.311 nan 8.230 nan 0.000 0.435 205 N N -0.342 118.364 118.700 0.010 0.000 2.244 205 N HA -0.218 4.521 4.740 -0.000 0.000 0.183 205 N C 1.771 177.285 175.510 0.007 0.000 1.016 205 N CA 1.210 54.266 53.050 0.010 0.000 0.866 205 N CB -0.171 38.322 38.487 0.009 0.000 0.980 205 N HN 0.600 nan 8.380 nan 0.000 0.430 206 Q N 0.324 120.127 119.800 0.005 0.000 2.170 206 Q HA -0.026 4.314 4.340 -0.000 0.000 0.203 206 Q C 1.879 177.881 176.000 0.004 0.000 0.976 206 Q CA 0.950 56.755 55.803 0.003 0.000 0.858 206 Q CB 0.056 28.795 28.738 0.002 0.000 0.907 206 Q HN 0.376 nan 8.270 nan 0.000 0.433 207 I N -0.259 120.314 120.570 0.005 0.000 2.286 207 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 207 I C 2.394 178.515 176.117 0.006 0.000 1.104 207 I CA 0.861 62.164 61.300 0.005 0.000 1.397 207 I CB -0.200 37.804 38.000 0.006 0.000 1.072 207 I HN 0.143 nan 8.210 nan 0.000 0.417 208 R N 0.962 121.467 120.500 0.008 0.000 2.083 208 R HA -0.173 4.166 4.340 -0.000 0.000 0.237 208 R C 2.490 178.795 176.300 0.008 0.000 1.137 208 R CA 1.662 57.767 56.100 0.010 0.000 0.951 208 R CB -0.595 29.714 30.300 0.014 0.000 0.851 208 R HN 0.368 nan 8.270 nan 0.000 0.434 209 A N 1.332 124.156 122.820 0.007 0.000 1.865 209 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 209 A C 2.389 179.975 177.584 0.003 0.000 1.191 209 A CA 1.894 53.934 52.037 0.005 0.000 0.623 209 A CB -0.865 18.137 19.000 0.003 0.000 0.826 209 A HN 0.429 nan 8.150 nan 0.000 0.444 210 A N -0.815 122.007 122.820 0.003 0.000 2.070 210 A HA -0.002 4.317 4.320 -0.000 0.000 0.220 210 A C 2.116 179.701 177.584 0.002 0.000 1.159 210 A CA 1.839 53.877 52.037 0.002 0.000 0.656 210 A CB -0.532 18.469 19.000 0.002 0.000 0.800 210 A HN 0.459 nan 8.150 nan 0.000 0.453 211 S N -1.569 114.133 115.700 0.003 0.000 2.575 211 S HA 0.379 4.849 4.470 -0.000 0.000 0.215 211 S C 1.306 175.908 174.600 0.003 0.000 0.966 211 S CA 0.603 58.805 58.200 0.003 0.000 0.911 211 S CB 0.142 63.345 63.200 0.005 0.000 0.780 211 S HN 1.588 nan 8.310 nan 0.000 0.514 212 G N 1.470 110.272 108.800 0.002 0.000 2.143 212 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.248 212 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.248 212 G C -0.117 174.784 174.900 0.002 0.000 0.991 212 G CA -0.146 44.955 45.100 0.001 0.000 0.689 212 G HN 0.465 nan 8.290 nan 0.000 0.522 213 L N 1.706 122.933 121.223 0.007 0.000 2.309 213 L HA 0.483 4.823 4.340 -0.000 0.000 0.282 213 L C -1.340 175.539 176.870 0.015 0.000 1.036 213 L CA -2.311 52.536 54.840 0.013 0.000 0.806 213 L CB 1.598 43.668 42.059 0.018 0.000 1.220 213 L HN -0.042 nan 8.230 nan 0.000 0.429 214 P HA 0.081 nan 4.420 nan 0.000 0.272 214 P C -1.087 176.230 177.300 0.028 0.000 1.230 214 P CA -0.492 62.621 63.100 0.023 0.000 0.788 214 P CB 0.412 32.129 31.700 0.027 0.000 0.949 215 R N 0.232 120.748 120.500 0.025 0.000 2.594 215 R HA 0.367 4.706 4.340 -0.000 0.000 0.272 215 R C -0.568 175.751 176.300 0.031 0.000 1.074 215 R CA -0.790 55.324 56.100 0.023 0.000 1.105 215 R CB -0.254 30.055 30.300 0.015 0.000 1.008 215 R HN 0.162 nan 8.270 nan 0.000 0.472 216 V N 4.707 124.638 119.914 0.027 0.000 2.385 216 V HA 0.183 4.303 4.120 -0.000 0.000 0.269 216 V C 0.639 176.759 176.094 0.043 0.000 1.043 216 V CA -0.451 61.865 62.300 0.026 0.000 0.906 216 V CB 0.848 32.684 31.823 0.021 0.000 0.995 216 V HN 0.546 nan 8.190 nan 0.000 0.467 217 L N 5.252 126.519 121.223 0.073 0.000 2.439 217 L HA 0.627 4.967 4.340 -0.000 0.000 0.259 217 L C -0.384 176.586 176.870 0.166 0.000 1.129 217 L CA -0.660 54.259 54.840 0.131 0.000 0.803 217 L CB 1.471 43.687 42.059 0.261 0.000 1.161 217 L HN 0.313 nan 8.230 nan 0.000 0.462 218 V N 0.174 120.208 119.914 0.200 0.000 2.588 218 V HA 0.385 4.504 4.120 -0.000 0.000 0.304 218 V C -0.583 175.719 176.094 0.347 0.000 1.042 218 V CA -0.654 61.770 62.300 0.207 0.000 0.877 218 V CB 1.590 33.478 31.823 0.108 0.000 0.996 218 V HN 0.700 nan 8.190 nan 0.000 0.425 219 H N 2.616 121.827 119.070 0.235 0.000 2.572 219 H HA 0.653 5.209 4.556 -0.000 0.000 0.359 219 H C -1.454 173.960 175.328 0.142 0.000 1.134 219 H CA -0.247 55.953 56.048 0.252 0.000 1.187 219 H CB 2.486 32.347 29.762 0.165 0.000 1.597 219 H HN 0.661 nan 8.280 nan 0.000 0.524 220 T N 3.109 117.257 114.554 -0.676 0.000 2.881 220 T HA 0.086 4.436 4.350 -0.000 0.000 0.290 220 T C -1.153 173.168 174.700 -0.632 0.000 1.000 220 T CA -0.818 60.978 62.100 -0.506 0.000 0.978 220 T CB 1.015 69.772 68.868 -0.186 0.000 0.997 220 T HN 0.657 nan 8.240 nan 0.000 0.443 221 D N 3.868 124.067 120.400 -0.334 0.000 2.393 221 D HA 0.413 5.053 4.640 -0.000 0.000 0.232 221 D C 0.642 176.908 176.300 -0.057 0.000 1.192 221 D CA -0.462 53.484 54.000 -0.089 0.000 0.882 221 D CB 0.909 41.744 40.800 0.058 0.000 1.038 221 D HN 0.612 nan 8.370 nan 0.000 0.499 222 A N 3.558 126.353 122.820 -0.042 0.000 2.415 222 A HA 0.419 4.739 4.320 -0.000 0.000 0.248 222 A C 1.941 179.532 177.584 0.011 0.000 1.299 222 A CA 0.528 52.551 52.037 -0.024 0.000 0.899 222 A CB -0.129 18.849 19.000 -0.038 0.000 0.997 222 A HN 0.598 nan 8.150 nan 0.000 0.506 223 A N -0.039 122.789 122.820 0.013 0.000 1.896 223 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 223 A C 1.951 179.550 177.584 0.026 0.000 1.206 223 A CA 1.896 53.941 52.037 0.014 0.000 0.647 223 A CB -0.366 18.597 19.000 -0.061 0.000 0.828 223 A HN 0.482 nan 8.150 nan 0.000 0.455 224 Q N -1.344 118.464 119.800 0.013 0.000 2.451 224 Q HA 0.227 4.567 4.340 -0.000 0.000 0.206 224 Q C 2.030 178.055 176.000 0.042 0.000 0.947 224 Q CA 0.905 56.725 55.803 0.028 0.000 0.937 224 Q CB -0.117 28.637 28.738 0.026 0.000 1.025 224 Q HN 0.714 nan 8.270 nan 0.000 0.511 225 A N 0.345 123.183 122.820 0.030 0.000 1.956 225 A HA 0.121 4.440 4.320 -0.000 0.000 0.212 225 A C 1.082 178.676 177.584 0.016 0.000 1.188 225 A CA -0.082 51.966 52.037 0.019 0.000 0.675 225 A CB -0.160 18.836 19.000 -0.006 0.000 0.845 225 A HN 0.265 nan 8.150 nan 0.000 0.455 226 L N 0.198 121.424 121.223 0.006 0.000 2.601 226 L HA 0.269 4.608 4.340 -0.000 0.000 0.277 226 L C 1.572 178.442 176.870 0.001 0.000 1.219 226 L CA 0.918 55.714 54.840 -0.074 0.000 0.915 226 L CB -0.103 41.843 42.059 -0.188 0.000 1.160 226 L HN 0.641 nan 8.230 nan 0.000 0.494 227 G N 2.382 111.169 108.800 -0.023 0.000 2.205 227 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.261 227 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.261 227 G C 0.982 175.977 174.900 0.159 0.000 0.980 227 G CA 0.519 45.688 45.100 0.116 0.000 0.632 227 G HN 0.696 nan 8.290 nan 0.000 0.533 228 K N -0.536 119.925 120.400 0.101 0.000 2.399 228 K HA 0.212 4.532 4.320 -0.000 0.000 0.196 228 K C 1.050 177.690 176.600 0.068 0.000 1.117 228 K CA 0.755 57.101 56.287 0.098 0.000 0.965 228 K CB 0.793 33.342 32.500 0.081 0.000 0.983 228 K HN 0.663 nan 8.250 nan 0.000 0.531 229 R N 0.422 120.944 120.500 0.038 0.000 2.707 229 R HA 0.334 4.674 4.340 -0.000 0.000 0.272 229 R C -1.063 175.230 176.300 -0.011 0.000 1.011 229 R CA -0.980 55.129 56.100 0.014 0.000 0.893 229 R CB 1.297 31.603 30.300 0.009 0.000 1.233 229 R HN -0.180 nan 8.270 nan 0.000 0.464 230 R N 1.645 122.132 120.500 -0.022 0.000 2.538 230 R HA 0.147 4.487 4.340 -0.000 0.000 0.282 230 R C -1.039 175.227 176.300 -0.056 0.000 1.009 230 R CA 0.117 56.191 56.100 -0.043 0.000 1.063 230 R CB 0.620 30.895 30.300 -0.042 0.000 0.945 230 R HN 0.468 nan 8.270 nan 0.000 0.414 231 V N 5.249 125.116 119.914 -0.079 0.000 2.409 231 V HA 0.181 4.301 4.120 -0.000 0.000 0.290 231 V C -0.527 175.494 176.094 -0.122 0.000 1.017 231 V CA -0.629 61.612 62.300 -0.099 0.000 0.841 231 V CB 1.535 33.291 31.823 -0.113 0.000 1.003 231 V HN 0.747 nan 8.190 nan 0.000 0.426 232 D N 3.677 124.005 120.400 -0.120 0.000 2.549 232 D HA 0.248 4.888 4.640 -0.000 0.000 0.251 232 D C 0.922 177.125 176.300 -0.161 0.000 1.153 232 D CA -0.375 53.544 54.000 -0.134 0.000 0.861 232 D CB 2.508 43.252 40.800 -0.093 0.000 1.207 232 D HN 0.358 nan 8.370 nan 0.000 0.543 233 V N 2.175 121.939 119.914 -0.250 0.000 2.568 233 V HA -0.133 3.987 4.120 -0.000 0.000 0.253 233 V C 1.646 177.657 176.094 -0.139 0.000 1.072 233 V CA 1.160 63.286 62.300 -0.290 0.000 1.084 233 V CB -0.336 31.102 31.823 -0.643 0.000 0.676 233 V HN 0.382 nan 8.190 nan 0.000 0.469 234 E N 0.960 121.099 120.200 -0.102 0.000 2.107 234 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 234 E C 1.938 178.510 176.600 -0.046 0.000 0.982 234 E CA 1.745 58.113 56.400 -0.053 0.000 0.809 234 E CB -0.367 29.308 29.700 -0.042 0.000 0.756 234 E HN 0.885 nan 8.360 nan 0.000 0.459 235 D N 0.444 120.810 120.400 -0.057 0.000 2.117 235 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 235 D C 2.022 178.297 176.300 -0.042 0.000 0.982 235 D CA 0.815 54.788 54.000 -0.045 0.000 0.828 235 D CB -0.028 40.743 40.800 -0.049 0.000 0.967 235 D HN 0.063 nan 8.370 nan 0.000 0.464 236 L N -0.647 120.542 121.223 -0.056 0.000 2.156 236 L HA 0.133 4.473 4.340 -0.000 0.000 0.208 236 L C 2.033 178.887 176.870 -0.026 0.000 1.095 236 L CA 0.790 55.602 54.840 -0.046 0.000 0.770 236 L CB -0.567 41.452 42.059 -0.068 0.000 0.914 236 L HN 0.409 nan 8.230 nan 0.000 0.439 237 G N 0.415 109.201 108.800 -0.023 0.000 2.155 237 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 237 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 237 G C 0.442 175.353 174.900 0.018 0.000 0.983 237 G CA 0.382 45.480 45.100 -0.003 0.000 0.676 237 G HN 0.311 nan 8.290 nan 0.000 0.528 238 V N -2.923 117.010 119.914 0.031 0.000 3.003 238 V HA 0.627 4.746 4.120 -0.000 0.000 0.305 238 V C 1.002 177.161 176.094 0.109 0.000 1.078 238 V CA 0.387 62.731 62.300 0.074 0.000 1.083 238 V CB 1.397 33.269 31.823 0.082 0.000 1.039 238 V HN 0.074 nan 8.190 nan 0.000 0.481 239 D N 0.631 121.053 120.400 0.036 0.000 2.355 239 D HA 0.223 4.863 4.640 -0.000 0.000 0.206 239 D C -0.175 175.852 176.300 -0.455 0.000 1.010 239 D CA 1.082 54.933 54.000 -0.248 0.000 0.875 239 D CB 0.483 41.030 40.800 -0.423 0.000 0.966 239 D HN 0.549 nan 8.370 nan 0.000 0.512 240 F N 0.354 120.408 119.950 0.173 0.000 2.588 240 F HA 0.535 5.061 4.527 -0.000 0.000 0.310 240 F C -0.469 175.523 175.800 0.320 0.000 1.082 240 F CA -1.015 57.128 58.000 0.239 0.000 0.929 240 F CB 2.564 41.740 39.000 0.292 0.000 1.254 240 F HN -0.347 nan 8.300 nan 0.000 0.455 241 L N 1.294 122.848 121.223 0.550 0.000 2.526 241 L HA 0.574 4.914 4.340 -0.000 0.000 0.263 241 L C -1.170 175.860 176.870 0.267 0.000 0.943 241 L CA -0.127 54.867 54.840 0.255 0.000 0.859 241 L CB 2.253 44.393 42.059 0.136 0.000 1.313 241 L HN 0.614 nan 8.230 nan 0.000 0.406 242 T N 5.635 120.308 114.554 0.198 0.000 2.771 242 T HA 0.562 4.912 4.350 -0.000 0.000 0.291 242 T C -0.168 174.612 174.700 0.135 0.000 0.954 242 T CA 0.015 62.241 62.100 0.210 0.000 1.045 242 T CB 0.580 69.598 68.868 0.251 0.000 0.917 242 T HN 0.323 nan 8.240 nan 0.000 0.484 243 I N 3.251 123.913 120.570 0.154 0.000 2.378 243 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 243 I C -0.583 175.661 176.117 0.212 0.000 0.992 243 I CA -0.987 60.430 61.300 0.195 0.000 1.154 243 I CB 1.853 39.980 38.000 0.211 0.000 1.315 243 I HN 0.255 nan 8.210 nan 0.000 0.448 244 V N 5.612 125.670 119.914 0.241 0.000 2.349 244 V HA 0.256 4.376 4.120 -0.000 0.000 0.284 244 V C 1.128 177.178 176.094 -0.073 0.000 1.014 244 V CA -0.426 61.933 62.300 0.097 0.000 0.826 244 V CB 1.058 32.875 31.823 -0.011 0.000 1.009 244 V HN 1.023 nan 8.190 nan 0.000 0.431 245 G N 3.090 111.776 108.800 -0.190 0.000 2.469 245 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.219 245 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.219 245 G C 1.064 175.604 174.900 -0.600 0.000 1.150 245 G CA 1.622 46.338 45.100 -0.640 0.000 0.763 245 G HN 1.097 nan 8.290 nan 0.000 0.561 246 H N -0.889 117.986 119.070 -0.325 0.000 2.553 246 H HA 0.344 4.900 4.556 -0.000 0.000 0.269 246 H C 1.813 177.018 175.328 -0.205 0.000 1.011 246 H CA 0.576 56.476 56.048 -0.245 0.000 1.150 246 H CB 0.329 30.002 29.762 -0.149 0.000 1.339 246 H HN 0.135 nan 8.280 nan 0.000 0.604 247 K N 0.732 120.881 120.400 -0.419 0.000 2.334 247 K HA 0.068 4.388 4.320 -0.000 0.000 0.195 247 K C -0.072 176.532 176.600 0.006 0.000 1.045 247 K CA 0.240 56.393 56.287 -0.224 0.000 1.004 247 K CB 0.294 32.723 32.500 -0.119 0.000 0.837 247 K HN 0.566 nan 8.250 nan 0.000 0.510 248 F N -1.827 118.127 119.950 0.006 0.000 2.831 248 F HA 0.350 4.876 4.527 -0.000 0.000 0.355 248 F C -0.711 175.260 175.800 0.286 0.000 1.341 248 F CA -1.422 56.668 58.000 0.151 0.000 1.201 248 F CB -0.586 38.489 39.000 0.124 0.000 1.058 248 F HN -0.038 nan 8.300 nan 0.000 0.514 249 Y N -0.631 119.650 120.300 -0.032 0.000 4.079 249 Y HA -0.228 4.322 4.550 -0.000 0.000 0.223 249 Y C 1.230 177.086 175.900 -0.074 0.000 1.155 249 Y CA 0.337 58.422 58.100 -0.025 0.000 1.805 249 Y CB -1.432 37.028 38.460 0.000 0.000 1.571 249 Y HN 0.679 nan 8.280 nan 0.000 0.654 250 G N -0.968 107.741 108.800 -0.152 0.000 2.667 250 G HA2 0.709 4.669 3.960 -0.000 0.000 0.310 250 G HA3 0.709 4.669 3.960 -0.000 0.000 0.310 250 G C -2.736 172.088 174.900 -0.127 0.000 1.259 250 G CA -1.821 43.181 45.100 -0.164 0.000 1.019 250 G HN -0.120 nan 8.290 nan 0.000 0.496 251 P HA 0.163 nan 4.420 nan 0.000 0.271 251 P C 0.207 177.477 177.300 -0.050 0.000 1.233 251 P CA -0.424 62.644 63.100 -0.052 0.000 0.789 251 P CB 0.509 32.189 31.700 -0.034 0.000 0.951 252 R N 1.497 121.964 120.500 -0.055 0.000 4.160 252 R HA 0.112 4.452 4.340 -0.000 0.000 0.216 252 R C 0.592 176.880 176.300 -0.019 0.000 2.009 252 R CA 0.320 56.380 56.100 -0.068 0.000 1.664 252 R CB -1.615 28.593 30.300 -0.154 0.000 1.216 252 R HN 0.544 nan 8.270 nan 0.000 0.648 253 I N -5.045 115.530 120.570 0.009 0.000 3.445 253 I HA 0.878 5.048 4.170 -0.000 0.000 0.303 253 I C 0.291 176.458 176.117 0.084 0.000 1.129 253 I CA -1.158 60.169 61.300 0.044 0.000 0.989 253 I CB 2.198 40.222 38.000 0.040 0.000 1.314 253 I HN -0.044 nan 8.210 nan 0.000 0.488 254 G N -0.184 108.698 108.800 0.137 0.000 2.753 254 G HA2 0.853 4.813 3.960 -0.000 0.000 0.303 254 G HA3 0.853 4.813 3.960 -0.000 0.000 0.303 254 G C -1.852 173.188 174.900 0.233 0.000 1.242 254 G CA -0.287 44.918 45.100 0.175 0.000 0.810 254 G HN 1.232 nan 8.290 nan 0.000 0.515 255 A N -1.692 121.238 122.820 0.183 0.000 2.564 255 A HA 0.795 5.115 4.320 -0.000 0.000 0.291 255 A C -2.304 175.342 177.584 0.103 0.000 1.102 255 A CA -0.461 51.649 52.037 0.122 0.000 0.660 255 A CB 1.636 20.661 19.000 0.042 0.000 1.283 255 A HN 1.934 nan 8.150 nan 0.000 0.430 256 L N 0.413 121.673 121.223 0.063 0.000 2.406 256 L HA 0.650 4.990 4.340 -0.000 0.000 0.272 256 L C -1.249 175.680 176.870 0.098 0.000 0.980 256 L CA -0.387 54.519 54.840 0.109 0.000 0.831 256 L CB 1.550 43.658 42.059 0.082 0.000 1.253 256 L HN 0.839 nan 8.230 nan 0.000 0.406 257 Y N 5.504 125.830 120.300 0.044 0.000 2.335 257 Y HA 0.658 5.208 4.550 -0.000 0.000 0.331 257 Y C -1.052 174.860 175.900 0.021 0.000 1.094 257 Y CA -0.313 57.785 58.100 -0.003 0.000 1.253 257 Y CB 1.132 39.588 38.460 -0.007 0.000 1.203 257 Y HN 0.370 nan 8.280 nan 0.000 0.508 258 V N 7.930 127.350 119.914 -0.823 0.000 2.462 258 V HA 0.290 4.410 4.120 -0.000 0.000 0.288 258 V C -0.233 175.262 176.094 -0.998 0.000 1.020 258 V CA -1.126 60.700 62.300 -0.790 0.000 0.857 258 V CB 1.128 32.695 31.823 -0.426 0.000 1.013 258 V HN 0.805 nan 8.190 nan 0.000 0.431 259 R N 3.683 123.526 120.500 -1.096 0.000 2.549 259 R HA 0.177 4.517 4.340 -0.000 0.000 0.336 259 R C 1.169 177.237 176.300 -0.387 0.000 0.891 259 R CA 1.311 57.044 56.100 -0.611 0.000 1.102 259 R CB -0.236 29.880 30.300 -0.306 0.000 0.899 259 R HN 1.293 nan 8.270 nan 0.000 0.407 260 G N 3.687 112.322 108.800 -0.275 0.000 2.386 260 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.295 260 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.295 260 G C 0.156 174.930 174.900 -0.211 0.000 0.979 260 G CA 0.373 45.363 45.100 -0.183 0.000 1.193 260 G HN 0.647 nan 8.290 nan 0.000 0.508 261 V N 0.444 120.190 119.914 -0.280 0.000 2.644 261 V HA 0.369 4.489 4.120 -0.000 0.000 0.305 261 V C 1.862 177.862 176.094 -0.157 0.000 1.053 261 V CA 2.358 64.459 62.300 -0.332 0.000 1.186 261 V CB 0.552 32.048 31.823 -0.545 0.000 0.895 261 V HN 2.380 nan 8.190 nan 0.000 0.490 262 G N 2.695 111.427 108.800 -0.113 0.000 2.267 262 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 262 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 262 G C 0.731 175.629 174.900 -0.004 0.000 0.998 262 G CA 1.239 46.363 45.100 0.040 0.000 0.620 262 G HN 1.448 nan 8.290 nan 0.000 0.529 263 K N -0.385 119.989 120.400 -0.044 0.000 2.363 263 K HA 0.749 5.069 4.320 -0.000 0.000 0.215 263 K C 2.236 178.802 176.600 -0.057 0.000 1.179 263 K CA 0.951 57.215 56.287 -0.039 0.000 0.856 263 K CB -0.501 31.979 32.500 -0.034 0.000 1.371 263 K HN 0.470 nan 8.250 nan 0.000 0.455 264 L N 1.431 122.601 121.223 -0.089 0.000 2.298 264 L HA 0.185 4.525 4.340 -0.000 0.000 0.209 264 L C 0.176 176.967 176.870 -0.131 0.000 1.084 264 L CA 0.617 55.398 54.840 -0.098 0.000 0.816 264 L CB 0.730 42.725 42.059 -0.108 0.000 0.967 264 L HN 0.254 nan 8.230 nan 0.000 0.460 265 T N 1.451 115.894 114.554 -0.185 0.000 2.881 265 T HA 0.388 4.738 4.350 -0.000 0.000 0.290 265 T C -2.608 171.991 174.700 -0.170 0.000 1.000 265 T CA -1.148 60.811 62.100 -0.235 0.000 0.978 265 T CB 2.477 71.061 68.868 -0.474 0.000 0.997 265 T HN -0.122 nan 8.240 nan 0.000 0.443 266 P HA 0.537 nan 4.420 nan 0.000 0.282 266 P C -1.280 176.019 177.300 -0.003 0.000 1.249 266 P CA -0.721 62.351 63.100 -0.048 0.000 0.806 266 P CB 1.251 32.992 31.700 0.068 0.000 0.984 267 L N 4.026 125.156 121.223 -0.155 0.000 2.491 267 L HA 0.423 4.763 4.340 -0.000 0.000 0.267 267 L C -1.705 175.128 176.870 -0.061 0.000 0.971 267 L CA -0.726 54.075 54.840 -0.065 0.000 0.857 267 L CB 1.032 42.908 42.059 -0.304 0.000 1.226 267 L HN 0.203 nan 8.230 nan 0.000 0.408 268 Y N 6.437 126.854 120.300 0.196 0.000 2.331 268 Y HA 0.569 5.119 4.550 -0.000 0.000 0.338 268 Y C -1.972 174.070 175.900 0.237 0.000 0.976 268 Y CA -1.992 56.245 58.100 0.230 0.000 1.137 268 Y CB 1.152 39.726 38.460 0.190 0.000 1.172 268 Y HN 0.470 nan 8.280 nan 0.000 0.478 269 P HA 0.079 nan 4.420 nan 0.000 0.272 269 P C -0.029 177.193 177.300 -0.130 0.000 1.223 269 P CA 0.041 63.145 63.100 0.008 0.000 0.784 269 P CB 1.285 32.860 31.700 -0.208 0.000 0.923 270 M N 0.428 119.823 119.600 -0.341 0.000 2.447 270 M HA 0.115 4.595 4.480 -0.000 0.000 0.266 270 M C 0.739 176.796 176.300 -0.405 0.000 1.120 270 M CA 0.964 55.929 55.300 -0.559 0.000 1.166 270 M CB 0.080 32.374 32.600 -0.510 0.000 1.349 270 M HN 0.242 nan 8.290 nan 0.000 0.463 271 L N 0.127 121.087 121.223 -0.439 0.000 2.334 271 L HA 0.467 4.807 4.340 -0.000 0.000 0.275 271 L C -1.263 175.223 176.870 -0.640 0.000 1.036 271 L CA -0.647 53.991 54.840 -0.338 0.000 0.807 271 L CB 1.290 43.256 42.059 -0.154 0.000 1.231 271 L HN -0.057 nan 8.230 nan 0.000 0.438 272 F N 0.476 120.441 119.950 0.026 0.000 2.540 272 F HA 0.800 5.327 4.527 -0.000 0.000 0.317 272 F C 0.643 176.454 175.800 0.019 0.000 1.104 272 F CA -0.306 57.711 58.000 0.028 0.000 0.913 272 F CB 2.117 41.139 39.000 0.036 0.000 1.170 272 F HN 0.555 nan 8.300 nan 0.000 0.450 273 G N 0.783 109.673 108.800 0.150 0.000 2.539 273 G HA2 0.315 4.275 3.960 -0.000 0.000 0.138 273 G HA3 0.315 4.275 3.960 -0.000 0.000 0.138 273 G C 0.641 175.575 174.900 0.058 0.000 1.148 273 G CA -0.035 45.120 45.100 0.092 0.000 1.057 273 G HN 0.854 nan 8.290 nan 0.000 0.511 274 G N 0.048 108.869 108.800 0.034 0.000 2.740 274 G HA2 0.410 4.370 3.960 -0.000 0.000 0.208 274 G HA3 0.410 4.370 3.960 -0.000 0.000 0.208 274 G C 1.523 176.426 174.900 0.004 0.000 1.148 274 G CA 1.844 46.956 45.100 0.019 0.000 0.795 274 G HN 2.312 nan 8.290 nan 0.000 0.526 275 G N -1.403 107.395 108.800 -0.004 0.000 2.179 275 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 275 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 275 G C 0.427 175.307 174.900 -0.032 0.000 0.977 275 G CA 0.431 45.513 45.100 -0.030 0.000 0.641 275 G HN 0.636 nan 8.290 nan 0.000 0.533 276 Q N 0.192 119.986 119.800 -0.009 0.000 2.492 276 Q HA 0.509 4.849 4.340 -0.000 0.000 0.238 276 Q C 0.966 176.982 176.000 0.025 0.000 1.045 276 Q CA 0.376 56.186 55.803 0.012 0.000 0.934 276 Q CB 0.291 29.045 28.738 0.027 0.000 1.276 276 Q HN 0.325 nan 8.270 nan 0.000 0.521 277 E N 1.200 121.441 120.200 0.069 0.000 2.360 277 E HA -0.299 4.051 4.350 -0.000 0.000 0.238 277 E C -0.747 175.902 176.600 0.081 0.000 1.186 277 E CA 0.968 57.441 56.400 0.122 0.000 0.719 277 E CB -1.343 28.454 29.700 0.162 0.000 1.236 277 E HN 0.740 nan 8.360 nan 0.000 0.386 278 R N -0.423 120.064 120.500 -0.022 0.000 3.627 278 R HA -0.292 4.048 4.340 -0.000 0.000 0.281 278 R C 0.565 176.584 176.300 -0.468 0.000 1.140 278 R CA 0.893 56.876 56.100 -0.195 0.000 0.761 278 R CB -1.405 28.813 30.300 -0.136 0.000 1.181 278 R HN 0.447 nan 8.270 nan 0.000 0.472 279 N N -2.731 115.812 118.700 -0.262 0.000 2.936 279 N HA -0.235 4.505 4.740 -0.000 0.000 0.236 279 N C 0.315 175.671 175.510 -0.257 0.000 0.930 279 N CA 1.772 54.670 53.050 -0.253 0.000 0.966 279 N CB -1.009 37.315 38.487 -0.272 0.000 1.090 279 N HN 0.279 nan 8.380 nan 0.000 0.592 280 F N 0.199 120.122 119.950 -0.045 0.000 2.367 280 F HA 0.156 4.683 4.527 -0.000 0.000 0.298 280 F C 1.800 177.554 175.800 -0.077 0.000 1.094 280 F CA 0.921 58.885 58.000 -0.060 0.000 1.409 280 F CB 0.208 39.183 39.000 -0.042 0.000 1.064 280 F HN -0.088 nan 8.300 nan 0.000 0.528 281 R N 0.690 121.254 120.500 0.106 0.000 2.928 281 R HA 0.230 4.570 4.340 -0.000 0.000 0.248 281 R C -3.122 173.192 176.300 0.024 0.000 1.796 281 R CA -1.959 54.168 56.100 0.045 0.000 1.477 281 R CB 0.343 30.695 30.300 0.087 0.000 1.484 281 R HN -0.073 nan 8.270 nan 0.000 0.623 282 P HA 0.353 nan 4.420 nan 0.000 0.271 282 P C -0.106 177.199 177.300 0.009 0.000 1.233 282 P CA 0.450 63.546 63.100 -0.006 0.000 0.789 282 P CB 0.873 32.563 31.700 -0.017 0.000 0.951 283 G N -0.529 108.280 108.800 0.016 0.000 2.764 283 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.678 283 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.678 283 G C -0.652 174.260 174.900 0.019 0.000 1.341 283 G CA -0.891 44.220 45.100 0.019 0.000 0.836 283 G HN 0.542 nan 8.290 nan 0.000 0.632 284 T N 2.553 117.117 114.554 0.017 0.000 2.866 284 T HA 0.298 4.648 4.350 -0.000 0.000 0.293 284 T C 0.793 175.499 174.700 0.009 0.000 1.005 284 T CA 0.771 62.879 62.100 0.013 0.000 1.162 284 T CB 0.366 69.246 68.868 0.019 0.000 0.968 284 T HN 0.620 nan 8.240 nan 0.000 0.530 285 E N 2.678 122.878 120.200 0.000 0.000 2.413 285 E HA 0.038 4.388 4.350 -0.000 0.000 0.263 285 E C 0.635 177.214 176.600 -0.035 0.000 1.015 285 E CA -0.199 56.190 56.400 -0.020 0.000 0.916 285 E CB 0.285 29.965 29.700 -0.034 0.000 0.947 285 E HN 0.362 nan 8.360 nan 0.000 0.440 286 N N 2.423 121.087 118.700 -0.059 0.000 3.188 286 N HA 0.027 4.767 4.740 -0.000 0.000 0.279 286 N C -0.137 175.318 175.510 -0.092 0.000 1.213 286 N CA 0.060 53.078 53.050 -0.054 0.000 1.138 286 N CB 0.109 38.568 38.487 -0.046 0.000 1.417 286 N HN 0.374 nan 8.380 nan 0.000 0.526 287 T N 1.626 116.137 114.554 -0.073 0.000 2.620 287 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 287 T C -0.942 173.716 174.700 -0.070 0.000 1.044 287 T CA 1.460 63.510 62.100 -0.083 0.000 1.161 287 T CB -0.844 67.999 68.868 -0.041 0.000 0.862 287 T HN 0.442 nan 8.240 nan 0.000 0.438 288 P HA -0.033 nan 4.420 nan 0.000 0.215 288 P C 1.735 179.013 177.300 -0.037 0.000 1.157 288 P CA 1.041 64.131 63.100 -0.017 0.000 0.868 288 P CB -0.124 31.578 31.700 0.004 0.000 0.788 289 M N -1.588 117.980 119.600 -0.053 0.000 2.132 289 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 289 M C 2.251 178.496 176.300 -0.092 0.000 1.065 289 M CA 1.607 56.872 55.300 -0.058 0.000 1.122 289 M CB -1.382 31.185 32.600 -0.055 0.000 1.365 289 M HN -0.023 nan 8.290 nan 0.000 0.411 290 I N 0.256 120.714 120.570 -0.185 0.000 2.226 290 I HA -0.266 3.903 4.170 -0.000 0.000 0.245 290 I C 2.633 178.662 176.117 -0.146 0.000 1.100 290 I CA 1.212 62.315 61.300 -0.329 0.000 1.374 290 I CB -0.560 37.069 38.000 -0.618 0.000 1.057 290 I HN 0.216 nan 8.210 nan 0.000 0.413 291 A N 0.913 123.679 122.820 -0.090 0.000 1.883 291 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 291 A C 2.442 180.036 177.584 0.016 0.000 1.186 291 A CA 2.064 54.088 52.037 -0.022 0.000 0.624 291 A CB -1.505 17.488 19.000 -0.011 0.000 0.822 291 A HN 0.471 nan 8.150 nan 0.000 0.444 292 G N -0.405 108.400 108.800 0.008 0.000 2.418 292 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 292 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 292 G C 1.489 176.428 174.900 0.065 0.000 1.158 292 G CA 1.204 46.322 45.100 0.031 0.000 0.771 292 G HN 0.456 nan 8.290 nan 0.000 0.545 293 L N 1.578 122.841 121.223 0.066 0.000 2.046 293 L HA 0.124 4.464 4.340 -0.000 0.000 0.208 293 L C 2.850 179.862 176.870 0.236 0.000 1.077 293 L CA 2.262 57.191 54.840 0.149 0.000 0.747 293 L CB -0.969 41.196 42.059 0.178 0.000 0.896 293 L HN 0.184 nan 8.230 nan 0.000 0.432 294 G N -0.953 107.956 108.800 0.182 0.000 2.421 294 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.216 294 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.216 294 G C 1.681 176.677 174.900 0.160 0.000 1.171 294 G CA 0.995 46.206 45.100 0.185 0.000 0.775 294 G HN 0.356 nan 8.290 nan 0.000 0.543 295 K N 1.202 121.680 120.400 0.131 0.000 2.057 295 K HA 0.170 4.490 4.320 -0.000 0.000 0.206 295 K C 2.653 179.351 176.600 0.162 0.000 1.050 295 K CA 1.539 57.897 56.287 0.119 0.000 0.935 295 K CB -0.706 31.848 32.500 0.090 0.000 0.715 295 K HN 0.170 nan 8.250 nan 0.000 0.439 296 A N 0.619 123.567 122.820 0.215 0.000 1.908 296 A HA -0.078 4.241 4.320 -0.000 0.000 0.218 296 A C 2.394 180.213 177.584 0.393 0.000 1.181 296 A CA 2.140 54.372 52.037 0.324 0.000 0.627 296 A CB -1.123 18.078 19.000 0.335 0.000 0.818 296 A HN 0.434 nan 8.150 nan 0.000 0.445 297 A N -0.185 122.849 122.820 0.358 0.000 1.933 297 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 297 A C 1.776 179.413 177.584 0.088 0.000 1.175 297 A CA 1.859 53.992 52.037 0.160 0.000 0.628 297 A CB -0.565 18.525 19.000 0.151 0.000 0.814 297 A HN 0.458 nan 8.150 nan 0.000 0.444 298 D N 0.173 120.639 120.400 0.111 0.000 2.123 298 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 298 D C 1.924 178.268 176.300 0.073 0.000 0.992 298 D CA 1.064 55.108 54.000 0.074 0.000 0.833 298 D CB -0.350 40.494 40.800 0.072 0.000 0.954 298 D HN 0.458 nan 8.370 nan 0.000 0.455 299 L N 0.243 121.538 121.223 0.120 0.000 2.083 299 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 299 L C 2.505 179.486 176.870 0.185 0.000 1.083 299 L CA 0.525 55.457 54.840 0.153 0.000 0.752 299 L CB -0.296 41.887 42.059 0.207 0.000 0.899 299 L HN -0.041 nan 8.230 nan 0.000 0.433 300 V N -1.092 118.926 119.914 0.174 0.000 2.307 300 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 300 V C 2.570 178.669 176.094 0.007 0.000 1.045 300 V CA 1.935 64.313 62.300 0.131 0.000 1.024 300 V CB -0.315 31.484 31.823 -0.040 0.000 0.651 300 V HN 0.359 nan 8.190 nan 0.000 0.449 301 S N -0.282 115.408 115.700 -0.017 0.000 2.365 301 S HA -0.259 4.211 4.470 -0.000 0.000 0.225 301 S C 1.916 176.485 174.600 -0.053 0.000 1.039 301 S CA 1.928 60.105 58.200 -0.039 0.000 1.033 301 S CB -0.296 62.889 63.200 -0.025 0.000 0.887 301 S HN 0.716 nan 8.310 nan 0.000 0.447 302 E N 0.678 120.849 120.200 -0.048 0.000 2.158 302 E HA 0.043 4.393 4.350 -0.000 0.000 0.191 302 E C 0.834 177.342 176.600 -0.153 0.000 0.982 302 E CA 0.657 57.011 56.400 -0.075 0.000 0.823 302 E CB 0.040 29.711 29.700 -0.048 0.000 0.766 302 E HN 0.419 nan 8.360 nan 0.000 0.468 303 N N -0.513 118.038 118.700 -0.249 0.000 2.160 303 N HA 0.027 4.767 4.740 -0.000 0.000 0.226 303 N C 0.997 176.092 175.510 -0.691 0.000 1.256 303 N CA -0.041 52.686 53.050 -0.539 0.000 0.890 303 N CB 0.232 38.194 38.487 -0.876 0.000 1.116 303 N HN 0.065 nan 8.380 nan 0.000 0.517 304 C N 1.895 121.013 119.300 -0.302 0.000 2.385 304 C HA -0.161 4.299 4.460 -0.000 0.000 0.275 304 C C 2.413 177.342 174.990 -0.101 0.000 1.207 304 C CA 1.421 60.382 59.018 -0.095 0.000 1.760 304 C CB -0.586 27.142 27.740 -0.021 0.000 2.051 304 C HN 0.455 nan 8.230 nan 0.000 0.467 305 E N -0.805 119.317 120.200 -0.129 0.000 2.110 305 E HA -0.164 4.185 4.350 -0.000 0.000 0.193 305 E C 2.211 178.759 176.600 -0.087 0.000 0.988 305 E CA 1.856 58.207 56.400 -0.081 0.000 0.804 305 E CB -0.160 29.495 29.700 -0.076 0.000 0.745 305 E HN 0.695 nan 8.360 nan 0.000 0.458 306 T N 0.359 114.798 114.554 -0.191 0.000 2.737 306 T HA -0.152 4.198 4.350 -0.000 0.000 0.265 306 T C 1.451 176.134 174.700 -0.029 0.000 1.038 306 T CA 1.153 63.158 62.100 -0.158 0.000 1.144 306 T CB -0.374 68.328 68.868 -0.276 0.000 0.866 306 T HN 0.170 nan 8.240 nan 0.000 0.434 307 Y N 1.681 121.979 120.300 -0.004 0.000 2.097 307 Y HA -0.113 4.436 4.550 -0.000 0.000 0.282 307 Y C 2.600 178.528 175.900 0.047 0.000 1.152 307 Y CA 0.693 58.801 58.100 0.013 0.000 1.136 307 Y CB -1.068 37.385 38.460 -0.011 0.000 0.975 307 Y HN 0.361 nan 8.280 nan 0.000 0.498 308 E N 0.209 120.519 120.200 0.183 0.000 2.070 308 E HA -0.267 4.083 4.350 -0.000 0.000 0.197 308 E C 2.350 178.998 176.600 0.081 0.000 1.004 308 E CA 1.493 57.957 56.400 0.108 0.000 0.805 308 E CB -0.270 29.467 29.700 0.063 0.000 0.744 308 E HN 0.377 nan 8.360 nan 0.000 0.451 309 A N 0.319 123.180 122.820 0.069 0.000 1.877 309 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 309 A C 2.043 179.671 177.584 0.073 0.000 1.186 309 A CA 1.963 54.032 52.037 0.054 0.000 0.620 309 A CB -1.010 18.012 19.000 0.037 0.000 0.822 309 A HN 0.573 nan 8.150 nan 0.000 0.443 310 H N -0.499 118.590 119.070 0.032 0.000 2.321 310 H HA -0.055 4.501 4.556 -0.000 0.000 0.300 310 H C 1.967 177.317 175.328 0.036 0.000 1.087 310 H CA 2.277 58.344 56.048 0.031 0.000 1.319 310 H CB -0.294 29.494 29.762 0.043 0.000 1.379 310 H HN 0.434 nan 8.280 nan 0.000 0.501 311 M N -0.344 119.253 119.600 -0.004 0.000 2.080 311 M HA -0.189 4.291 4.480 -0.000 0.000 0.260 311 M C 2.609 178.871 176.300 -0.063 0.000 1.068 311 M CA 1.992 57.260 55.300 -0.053 0.000 1.109 311 M CB -0.251 32.373 32.600 0.039 0.000 1.342 311 M HN 0.234 nan 8.290 nan 0.000 0.405 312 R N 0.444 120.933 120.500 -0.018 0.000 2.091 312 R HA -0.217 4.123 4.340 -0.000 0.000 0.238 312 R C 1.764 178.051 176.300 -0.022 0.000 1.136 312 R CA 2.283 58.380 56.100 -0.006 0.000 0.959 312 R CB -0.294 30.013 30.300 0.012 0.000 0.856 312 R HN 0.380 nan 8.270 nan 0.000 0.437 313 D N -0.164 120.204 120.400 -0.052 0.000 2.117 313 D HA -0.159 4.480 4.640 -0.000 0.000 0.197 313 D C 1.751 178.023 176.300 -0.048 0.000 0.987 313 D CA 1.337 55.307 54.000 -0.050 0.000 0.829 313 D CB 0.082 40.840 40.800 -0.069 0.000 0.961 313 D HN 0.158 nan 8.370 nan 0.000 0.460 314 I N 0.447 120.930 120.570 -0.145 0.000 2.252 314 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 314 I C 2.489 178.627 176.117 0.035 0.000 1.102 314 I CA 0.830 62.086 61.300 -0.073 0.000 1.385 314 I CB -1.201 36.677 38.000 -0.204 0.000 1.064 314 I HN 0.196 nan 8.210 nan 0.000 0.414 315 R N 1.360 121.863 120.500 0.004 0.000 2.075 315 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 315 R C 1.608 177.924 176.300 0.026 0.000 1.126 315 R CA 1.626 57.741 56.100 0.025 0.000 0.963 315 R CB -0.365 29.950 30.300 0.025 0.000 0.858 315 R HN 0.306 nan 8.270 nan 0.000 0.435 316 D N -0.543 119.877 120.400 0.034 0.000 2.144 316 D HA -0.174 4.465 4.640 -0.000 0.000 0.200 316 D C 1.643 177.974 176.300 0.052 0.000 0.978 316 D CA 0.969 54.989 54.000 0.033 0.000 0.833 316 D CB -0.431 40.391 40.800 0.036 0.000 0.961 316 D HN 0.256 nan 8.370 nan 0.000 0.470 317 Y N 1.294 121.571 120.300 -0.038 0.000 2.242 317 Y HA -0.140 4.410 4.550 -0.000 0.000 0.291 317 Y C 2.060 177.937 175.900 -0.039 0.000 1.137 317 Y CA 0.802 58.880 58.100 -0.036 0.000 1.181 317 Y CB -0.421 38.018 38.460 -0.036 0.000 0.989 317 Y HN -0.069 nan 8.280 nan 0.000 0.527 318 L N 0.897 122.071 121.223 -0.083 0.000 2.012 318 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 318 L C 2.037 178.790 176.870 -0.195 0.000 1.073 318 L CA 2.200 56.946 54.840 -0.157 0.000 0.748 318 L CB -0.967 41.070 42.059 -0.037 0.000 0.891 318 L HN 0.318 nan 8.230 nan 0.000 0.431 319 E N -0.578 119.547 120.200 -0.125 0.000 2.153 319 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 319 E C 2.008 178.522 176.600 -0.144 0.000 0.988 319 E CA 1.323 57.649 56.400 -0.123 0.000 0.811 319 E CB -0.118 29.540 29.700 -0.070 0.000 0.746 319 E HN 0.660 nan 8.360 nan 0.000 0.466 320 E N 0.448 120.551 120.200 -0.161 0.000 2.072 320 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 320 E C 2.164 178.626 176.600 -0.229 0.000 0.985 320 E CA 0.597 56.900 56.400 -0.163 0.000 0.801 320 E CB 0.117 29.739 29.700 -0.131 0.000 0.750 320 E HN 0.045 nan 8.360 nan 0.000 0.452 321 R N 0.543 120.824 120.500 -0.365 0.000 2.090 321 R HA -0.037 4.303 4.340 -0.000 0.000 0.228 321 R C 2.422 178.565 176.300 -0.261 0.000 1.110 321 R CA 0.728 56.611 56.100 -0.362 0.000 0.973 321 R CB -0.755 29.246 30.300 -0.499 0.000 0.869 321 R HN 0.252 nan 8.270 nan 0.000 0.440 322 L N 0.631 121.721 121.223 -0.222 0.000 2.083 322 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 322 L C 2.269 179.104 176.870 -0.059 0.000 1.083 322 L CA 1.378 56.140 54.840 -0.130 0.000 0.752 322 L CB -0.345 41.581 42.059 -0.221 0.000 0.899 322 L HN 0.224 nan 8.230 nan 0.000 0.433 323 E N -0.014 120.132 120.200 -0.090 0.000 2.072 323 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 323 E C 2.323 178.879 176.600 -0.075 0.000 0.985 323 E CA 1.046 57.416 56.400 -0.051 0.000 0.801 323 E CB -0.123 29.543 29.700 -0.057 0.000 0.750 323 E HN 0.485 nan 8.360 nan 0.000 0.452 324 A N 1.283 124.030 122.820 -0.122 0.000 1.902 324 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 324 A C 2.070 179.545 177.584 -0.182 0.000 1.181 324 A CA 1.833 53.792 52.037 -0.131 0.000 0.623 324 A CB -0.376 18.540 19.000 -0.140 0.000 0.818 324 A HN 0.142 nan 8.150 nan 0.000 0.443 325 E N -1.014 119.008 120.200 -0.297 0.000 2.046 325 E HA -0.061 4.288 4.350 -0.000 0.000 0.190 325 E C 1.243 177.491 176.600 -0.586 0.000 0.982 325 E CA 1.379 57.464 56.400 -0.525 0.000 0.800 325 E CB -0.289 28.912 29.700 -0.831 0.000 0.756 325 E HN 0.556 nan 8.360 nan 0.000 0.449 326 F N -0.519 119.390 119.950 -0.069 0.000 2.731 326 F HA 0.394 4.921 4.527 -0.000 0.000 0.298 326 F C 1.681 177.464 175.800 -0.029 0.000 1.106 326 F CA 0.470 58.445 58.000 -0.042 0.000 1.329 326 F CB -0.144 38.831 39.000 -0.042 0.000 1.100 326 F HN 0.205 nan 8.300 nan 0.000 0.592 327 G N 1.373 110.224 108.800 0.086 0.000 2.634 327 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.309 327 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.309 327 G C 1.285 176.229 174.900 0.073 0.000 1.265 327 G CA 0.679 45.810 45.100 0.053 0.000 0.998 327 G HN 0.325 nan 8.290 nan 0.000 0.551 328 K N 0.862 121.297 120.400 0.058 0.000 2.519 328 K HA -0.028 4.292 4.320 -0.000 0.000 0.196 328 K C 2.496 179.137 176.600 0.068 0.000 1.041 328 K CA 1.275 57.595 56.287 0.055 0.000 0.954 328 K CB -0.092 32.431 32.500 0.039 0.000 0.774 328 K HN 0.456 nan 8.250 nan 0.000 0.480 329 R N 0.262 120.817 120.500 0.091 0.000 2.276 329 R HA 0.173 4.513 4.340 -0.000 0.000 0.196 329 R C 0.966 177.312 176.300 0.076 0.000 0.961 329 R CA 0.172 56.319 56.100 0.079 0.000 1.024 329 R CB 0.145 30.501 30.300 0.093 0.000 0.940 329 R HN 0.133 nan 8.270 nan 0.000 0.480 330 I N 0.721 121.354 120.570 0.105 0.000 2.498 330 I HA 0.168 4.337 4.170 -0.000 0.000 0.301 330 I C -0.670 175.532 176.117 0.142 0.000 0.984 330 I CA -0.788 60.579 61.300 0.111 0.000 1.204 330 I CB 1.324 39.387 38.000 0.106 0.000 1.362 330 I HN 0.095 nan 8.210 nan 0.000 0.471 331 H N 7.839 126.948 119.070 0.066 0.000 2.609 331 H HA 0.361 4.917 4.556 -0.000 0.000 0.344 331 H C -1.636 173.729 175.328 0.061 0.000 1.040 331 H CA -0.770 55.297 56.048 0.032 0.000 1.216 331 H CB 1.671 31.434 29.762 0.001 0.000 1.529 331 H HN 0.510 nan 8.280 nan 0.000 0.519 332 L N 5.618 126.543 121.223 -0.497 0.000 2.282 332 L HA 0.129 4.468 4.340 -0.000 0.000 0.287 332 L C 1.039 177.603 176.870 -0.509 0.000 1.075 332 L CA -0.505 54.148 54.840 -0.312 0.000 0.839 332 L CB 0.433 42.367 42.059 -0.209 0.000 1.219 332 L HN 0.590 nan 8.230 nan 0.000 0.434 333 N N 0.516 119.077 118.700 -0.232 0.000 2.550 333 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 333 N C 1.042 176.466 175.510 -0.144 0.000 1.110 333 N CA 0.518 53.477 53.050 -0.151 0.000 0.912 333 N CB 0.387 38.913 38.487 0.065 0.000 0.968 333 N HN 0.471 nan 8.380 nan 0.000 0.448 334 S N -0.024 115.636 115.700 -0.066 0.000 2.540 334 S HA 0.195 4.665 4.470 -0.000 0.000 0.218 334 S C 0.739 175.384 174.600 0.075 0.000 0.977 334 S CA -0.278 57.987 58.200 0.108 0.000 0.918 334 S CB 0.692 63.964 63.200 0.121 0.000 0.806 334 S HN 0.168 nan 8.310 nan 0.000 0.496 335 R N 1.640 122.055 120.500 -0.142 0.000 3.570 335 R HA 0.284 4.624 4.340 -0.000 0.000 0.233 335 R C -1.209 175.004 176.300 -0.144 0.000 1.492 335 R CA -0.092 55.954 56.100 -0.091 0.000 1.504 335 R CB -0.399 29.831 30.300 -0.117 0.000 1.314 335 R HN 0.234 nan 8.270 nan 0.000 0.687 336 F N 2.579 122.536 119.950 0.013 0.000 2.382 336 F HA 0.269 4.796 4.527 -0.000 0.000 0.331 336 F C -1.122 174.690 175.800 0.021 0.000 1.121 336 F CA -2.217 55.798 58.000 0.025 0.000 1.183 336 F CB 0.202 39.221 39.000 0.031 0.000 1.207 336 F HN 0.214 nan 8.300 nan 0.000 0.555 337 P HA 0.172 nan 4.420 nan 0.000 0.275 337 P C 0.408 177.776 177.300 0.112 0.000 1.227 337 P CA 0.106 63.278 63.100 0.120 0.000 0.781 337 P CB 1.117 32.873 31.700 0.093 0.000 0.906 338 G N 1.421 110.267 108.800 0.077 0.000 2.180 338 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.263 338 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.263 338 G C 0.077 175.009 174.900 0.054 0.000 0.989 338 G CA 0.445 45.580 45.100 0.058 0.000 0.692 338 G HN 0.786 nan 8.290 nan 0.000 0.526 339 V N -3.952 116.005 119.914 0.072 0.000 2.960 339 V HA 0.881 5.001 4.120 -0.000 0.000 0.315 339 V C 0.032 176.161 176.094 0.057 0.000 1.087 339 V CA -1.569 60.763 62.300 0.053 0.000 0.982 339 V CB 1.990 33.835 31.823 0.038 0.000 1.039 339 V HN 0.252 nan 8.190 nan 0.000 0.437 340 E N 1.664 121.886 120.200 0.037 0.000 2.318 340 E HA 0.709 5.059 4.350 -0.000 0.000 0.265 340 E C -0.488 176.138 176.600 0.044 0.000 1.069 340 E CA -0.763 55.659 56.400 0.037 0.000 0.893 340 E CB 1.487 31.201 29.700 0.022 0.000 1.076 340 E HN 0.825 nan 8.360 nan 0.000 0.414 341 R N 0.677 121.207 120.500 0.050 0.000 2.739 341 R HA 0.418 4.758 4.340 -0.000 0.000 0.271 341 R C -1.033 175.297 176.300 0.050 0.000 1.010 341 R CA -0.931 55.204 56.100 0.058 0.000 0.897 341 R CB 0.462 30.817 30.300 0.091 0.000 1.236 341 R HN 0.308 nan 8.270 nan 0.000 0.466 342 L N 2.090 123.344 121.223 0.052 0.000 2.529 342 L HA 0.076 4.416 4.340 -0.000 0.000 0.287 342 L C -1.119 175.782 176.870 0.052 0.000 1.241 342 L CA -1.174 53.696 54.840 0.050 0.000 0.857 342 L CB 0.427 42.520 42.059 0.056 0.000 1.113 342 L HN 0.630 nan 8.230 nan 0.000 0.504 343 P HA -0.096 nan 4.420 nan 0.000 0.229 343 P C 0.426 177.750 177.300 0.040 0.000 1.160 343 P CA 0.996 64.121 63.100 0.041 0.000 0.777 343 P CB 0.096 31.820 31.700 0.041 0.000 0.814 344 N N -0.889 117.842 118.700 0.051 0.000 2.254 344 N HA 0.015 4.755 4.740 -0.000 0.000 0.190 344 N C -0.130 175.422 175.510 0.070 0.000 1.107 344 N CA 0.241 53.323 53.050 0.053 0.000 0.869 344 N CB -0.546 37.976 38.487 0.058 0.000 0.983 344 N HN -0.142 nan 8.380 nan 0.000 0.487 345 T N 0.996 115.594 114.554 0.073 0.000 2.799 345 T HA 0.349 4.699 4.350 -0.000 0.000 0.286 345 T C -0.743 174.010 174.700 0.087 0.000 0.973 345 T CA -0.447 61.703 62.100 0.083 0.000 1.035 345 T CB 1.373 70.292 68.868 0.085 0.000 0.932 345 T HN 0.305 nan 8.240 nan 0.000 0.469 346 C N 6.109 125.472 119.300 0.105 0.000 2.949 346 C HA 0.438 4.898 4.460 -0.000 0.000 0.306 346 C C -0.308 174.796 174.990 0.189 0.000 1.045 346 C CA -1.121 57.972 59.018 0.125 0.000 1.414 346 C CB -0.959 26.845 27.740 0.106 0.000 1.854 346 C HN 0.880 nan 8.230 nan 0.000 0.487 347 N N 4.260 123.048 118.700 0.146 0.000 2.434 347 N HA 0.614 5.354 4.740 -0.000 0.000 0.272 347 N C -0.737 174.862 175.510 0.148 0.000 1.040 347 N CA 0.173 53.287 53.050 0.107 0.000 0.956 347 N CB 0.913 39.449 38.487 0.081 0.000 1.108 347 N HN 0.721 nan 8.380 nan 0.000 0.481 348 F N 0.113 120.061 119.950 -0.004 0.000 2.664 348 F HA 0.710 5.237 4.527 -0.000 0.000 0.317 348 F C -1.132 174.664 175.800 -0.006 0.000 1.108 348 F CA -0.833 57.154 58.000 -0.021 0.000 0.957 348 F CB 1.127 40.104 39.000 -0.038 0.000 1.365 348 F HN 0.139 nan 8.300 nan 0.000 0.475 349 S N 1.309 117.064 115.700 0.092 0.000 2.546 349 S HA 0.700 5.169 4.470 -0.000 0.000 0.274 349 S C -1.221 173.453 174.600 0.124 0.000 1.121 349 S CA -0.652 57.530 58.200 -0.030 0.000 0.887 349 S CB 1.781 64.980 63.200 -0.001 0.000 1.094 349 S HN 0.631 nan 8.310 nan 0.000 0.474 350 I N 2.057 122.635 120.570 0.013 0.000 2.378 350 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 350 I C 0.334 176.426 176.117 -0.043 0.000 0.992 350 I CA -0.603 60.671 61.300 -0.044 0.000 1.154 350 I CB 1.575 39.441 38.000 -0.223 0.000 1.315 350 I HN 0.508 nan 8.210 nan 0.000 0.448 351 Q N 3.875 123.665 119.800 -0.016 0.000 2.315 351 Q HA 0.370 4.710 4.340 -0.000 0.000 0.289 351 Q C 0.066 176.052 176.000 -0.023 0.000 1.044 351 Q CA 0.467 56.262 55.803 -0.014 0.000 0.920 351 Q CB 0.911 29.651 28.738 0.002 0.000 1.214 351 Q HN 0.957 nan 8.270 nan 0.000 0.392 352 G N 0.606 109.392 108.800 -0.024 0.000 2.326 352 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.299 352 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.299 352 G C 0.326 175.210 174.900 -0.027 0.000 1.643 352 G CA -0.132 44.954 45.100 -0.023 0.000 0.916 352 G HN 0.595 nan 8.290 nan 0.000 0.700 353 S N 0.708 116.396 115.700 -0.020 0.000 2.419 353 S HA -0.145 4.325 4.470 -0.000 0.000 0.233 353 S C 1.618 176.202 174.600 -0.027 0.000 1.016 353 S CA 1.785 59.973 58.200 -0.019 0.000 0.974 353 S CB 0.013 63.204 63.200 -0.014 0.000 0.786 353 S HN 0.575 nan 8.310 nan 0.000 0.492 354 Q N 0.690 120.470 119.800 -0.033 0.000 2.403 354 Q HA 0.341 4.681 4.340 -0.000 0.000 0.203 354 Q C 0.788 176.747 176.000 -0.068 0.000 0.932 354 Q CA 0.276 56.051 55.803 -0.047 0.000 0.945 354 Q CB -0.237 28.478 28.738 -0.038 0.000 1.045 354 Q HN 0.607 nan 8.270 nan 0.000 0.511 355 L N 1.494 122.679 121.223 -0.063 0.000 3.036 355 L HA 0.256 4.596 4.340 -0.000 0.000 0.237 355 L C -0.036 176.783 176.870 -0.084 0.000 1.319 355 L CA -0.588 54.204 54.840 -0.080 0.000 1.112 355 L CB 0.022 42.034 42.059 -0.079 0.000 1.480 355 L HN -0.234 nan 8.230 nan 0.000 0.506 356 R N 0.715 121.164 120.500 -0.086 0.000 2.623 356 R HA 0.105 4.444 4.340 -0.000 0.000 0.271 356 R C 1.529 177.796 176.300 -0.056 0.000 1.043 356 R CA 0.305 56.384 56.100 -0.036 0.000 1.083 356 R CB 0.272 30.578 30.300 0.011 0.000 0.974 356 R HN 0.283 nan 8.270 nan 0.000 0.436 357 G N 2.531 111.333 108.800 0.003 0.000 2.599 357 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.219 357 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.219 357 G C 1.230 176.150 174.900 0.032 0.000 1.193 357 G CA 1.571 46.657 45.100 -0.023 0.000 0.778 357 G HN 0.870 nan 8.290 nan 0.000 0.589 358 Y N -0.656 119.613 120.300 -0.051 0.000 2.403 358 Y HA 0.188 4.738 4.550 -0.000 0.000 0.291 358 Y C 2.652 178.538 175.900 -0.024 0.000 1.143 358 Y CA 1.157 59.237 58.100 -0.033 0.000 1.257 358 Y CB -0.237 38.211 38.460 -0.021 0.000 0.984 358 Y HN 0.179 nan 8.280 nan 0.000 0.550 359 M N -0.079 119.171 119.600 -0.583 0.000 2.236 359 M HA -0.098 4.382 4.480 -0.000 0.000 0.266 359 M C 2.025 178.198 176.300 -0.212 0.000 1.070 359 M CA 0.943 55.945 55.300 -0.497 0.000 1.137 359 M CB -0.195 32.099 32.600 -0.510 0.000 1.378 359 M HN 0.239 nan 8.290 nan 0.000 0.426 360 V N 0.972 120.798 119.914 -0.148 0.000 2.307 360 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 360 V C 2.276 178.350 176.094 -0.033 0.000 1.045 360 V CA 1.614 63.870 62.300 -0.073 0.000 1.024 360 V CB -0.602 31.184 31.823 -0.061 0.000 0.651 360 V HN 0.452 nan 8.190 nan 0.000 0.449 361 L N 0.061 121.269 121.223 -0.025 0.000 2.131 361 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 361 L C 2.703 179.576 176.870 0.006 0.000 1.092 361 L CA 1.385 56.229 54.840 0.007 0.000 0.759 361 L CB -0.790 41.279 42.059 0.017 0.000 0.903 361 L HN 0.375 nan 8.230 nan 0.000 0.435 362 A N -0.666 122.145 122.820 -0.014 0.000 1.933 362 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 362 A C 2.174 179.752 177.584 -0.010 0.000 1.175 362 A CA 1.262 53.292 52.037 -0.010 0.000 0.628 362 A CB -0.260 18.718 19.000 -0.036 0.000 0.814 362 A HN 0.390 nan 8.150 nan 0.000 0.444 363 Q N -0.866 118.922 119.800 -0.020 0.000 2.432 363 Q HA 0.047 4.387 4.340 -0.000 0.000 0.205 363 Q C 0.459 176.467 176.000 0.013 0.000 0.945 363 Q CA 0.138 55.937 55.803 -0.007 0.000 0.924 363 Q CB -0.680 28.049 28.738 -0.015 0.000 1.016 363 Q HN 0.622 nan 8.270 nan 0.000 0.503 364 C N 1.565 120.877 119.300 0.021 0.000 2.637 364 C HA 0.093 4.553 4.460 -0.000 0.000 0.418 364 C C 1.755 176.765 174.990 0.033 0.000 1.319 364 C CA -0.183 58.857 59.018 0.036 0.000 1.949 364 C CB 0.347 28.115 27.740 0.047 0.000 2.639 364 C HN 0.476 nan 8.230 nan 0.000 0.594 365 Q N 0.485 120.307 119.800 0.036 0.000 2.378 365 Q HA 0.031 4.371 4.340 -0.000 0.000 0.216 365 Q C 1.348 177.371 176.000 0.039 0.000 0.892 365 Q CA 0.738 56.561 55.803 0.033 0.000 0.931 365 Q CB 0.448 29.203 28.738 0.030 0.000 1.086 365 Q HN 0.860 nan 8.270 nan 0.000 0.528 366 T N 0.057 114.639 114.554 0.046 0.000 3.125 366 T HA 0.110 4.459 4.350 -0.000 0.000 0.252 366 T C 0.089 174.826 174.700 0.061 0.000 0.981 366 T CA -0.367 61.765 62.100 0.053 0.000 1.069 366 T CB 0.160 69.061 68.868 0.055 0.000 1.091 366 T HN 0.035 nan 8.240 nan 0.000 0.460 367 L N 3.148 124.407 121.223 0.061 0.000 2.499 367 L HA 0.332 4.671 4.340 -0.000 0.000 0.273 367 L C -0.999 175.898 176.870 0.045 0.000 1.195 367 L CA 0.333 55.209 54.840 0.060 0.000 0.882 367 L CB -0.166 41.935 42.059 0.070 0.000 1.133 367 L HN 0.183 nan 8.230 nan 0.000 0.483 368 L N 6.714 127.953 121.223 0.025 0.000 2.342 368 L HA 0.807 5.147 4.340 -0.000 0.000 0.276 368 L C -0.060 176.743 176.870 -0.111 0.000 0.997 368 L CA -0.116 54.723 54.840 -0.001 0.000 0.838 368 L CB 1.056 43.163 42.059 0.081 0.000 1.224 368 L HN 0.957 nan 8.230 nan 0.000 0.416 369 A N 2.512 125.285 122.820 -0.078 0.000 3.065 369 A HA 0.968 5.288 4.320 -0.000 0.000 0.293 369 A C -0.796 176.748 177.584 -0.067 0.000 1.213 369 A CA -0.026 51.947 52.037 -0.106 0.000 0.667 369 A CB 1.852 20.830 19.000 -0.037 0.000 1.412 369 A HN 0.567 nan 8.150 nan 0.000 0.601 370 S N -2.177 113.492 115.700 -0.052 0.000 2.688 370 S HA 0.556 5.026 4.470 -0.000 0.000 0.275 370 S C 0.062 174.643 174.600 -0.031 0.000 1.175 370 S CA 0.185 58.367 58.200 -0.031 0.000 0.818 370 S CB 0.882 64.062 63.200 -0.033 0.000 1.157 370 S HN 2.085 nan 8.310 nan 0.000 0.482 371 V N -2.210 117.695 119.914 -0.015 0.000 3.528 371 V HA 0.752 4.872 4.120 -0.000 0.000 0.294 371 V C 0.765 176.858 176.094 -0.003 0.000 1.404 371 V CA 0.921 63.209 62.300 -0.020 0.000 1.065 371 V CB -0.453 31.375 31.823 0.009 0.000 0.904 371 V HN 1.617 nan 8.190 nan 0.000 0.435 372 G N -0.306 108.497 108.800 0.005 0.000 2.399 372 G HA2 0.520 4.480 3.960 -0.000 0.000 0.256 372 G HA3 0.520 4.480 3.960 -0.000 0.000 0.256 372 G C -0.496 174.401 174.900 -0.004 0.000 1.236 372 G CA -0.243 44.872 45.100 0.025 0.000 0.914 372 G HN 1.029 nan 8.290 nan 0.000 0.482 373 A N 0.140 122.938 122.820 -0.035 0.000 2.520 373 A HA 0.519 4.839 4.320 -0.000 0.000 0.245 373 A C 1.646 179.119 177.584 -0.185 0.000 1.072 373 A CA 1.087 53.028 52.037 -0.160 0.000 0.761 373 A CB 0.110 18.860 19.000 -0.416 0.000 1.004 373 A HN 1.446 nan 8.150 nan 0.000 0.499 374 S N 1.546 117.184 115.700 -0.102 0.000 2.402 374 S HA -0.220 4.250 4.470 -0.000 0.000 0.233 374 S C 1.714 176.245 174.600 -0.114 0.000 1.030 374 S CA 1.770 59.929 58.200 -0.068 0.000 1.003 374 S CB -0.715 62.477 63.200 -0.014 0.000 0.813 374 S HN 0.879 nan 8.310 nan 0.000 0.477 375 C N 0.877 120.047 119.300 -0.217 0.000 2.400 375 C HA -0.094 4.366 4.460 -0.000 0.000 0.291 375 C C 1.437 176.317 174.990 -0.182 0.000 1.372 375 C CA 0.413 59.279 59.018 -0.255 0.000 1.800 375 C CB -1.744 25.756 27.740 -0.400 0.000 1.869 375 C HN 0.673 nan 8.230 nan 0.000 0.533 376 H N -0.515 118.532 119.070 -0.038 0.000 2.510 376 H HA 0.103 4.659 4.556 -0.000 0.000 0.266 376 H C 1.741 177.033 175.328 -0.059 0.000 1.146 376 H CA 0.380 56.406 56.048 -0.037 0.000 0.993 376 H CB 0.182 29.932 29.762 -0.021 0.000 1.727 376 H HN 0.488 nan 8.280 nan 0.000 0.590 377 S N 0.264 115.964 115.700 0.001 0.000 2.547 377 S HA -0.162 4.308 4.470 -0.000 0.000 0.235 377 S C 1.493 176.034 174.600 -0.099 0.000 0.980 377 S CA 0.969 59.147 58.200 -0.038 0.000 0.941 377 S CB -0.030 63.148 63.200 -0.038 0.000 0.763 377 S HN 0.537 nan 8.310 nan 0.000 0.532 378 D N 0.182 120.482 120.400 -0.168 0.000 2.340 378 D HA -0.071 4.568 4.640 -0.000 0.000 0.220 378 D C 0.072 176.032 176.300 -0.567 0.000 1.039 378 D CA 0.272 54.066 54.000 -0.344 0.000 0.866 378 D CB -0.437 40.121 40.800 -0.403 0.000 0.913 378 D HN 0.515 nan 8.370 nan 0.000 0.523 379 H N 0.672 119.693 119.070 -0.081 0.000 2.712 379 H HA 0.245 4.801 4.556 -0.000 0.000 0.226 379 H C 0.120 175.345 175.328 -0.173 0.000 1.422 379 H CA -0.305 55.666 56.048 -0.128 0.000 1.270 379 H CB 0.337 30.039 29.762 -0.100 0.000 1.891 379 H HN 0.230 nan 8.280 nan 0.000 0.518 380 E N 0.408 120.493 120.200 -0.193 0.000 2.427 380 E HA -0.100 4.249 4.350 -0.000 0.000 0.196 380 E C 0.973 177.291 176.600 -0.470 0.000 1.028 380 E CA 0.686 56.917 56.400 -0.282 0.000 0.864 380 E CB 0.367 29.887 29.700 -0.299 0.000 0.813 380 E HN 0.495 nan 8.360 nan 0.000 0.514 381 D N 0.702 120.779 120.400 -0.538 0.000 2.347 381 D HA -0.077 4.562 4.640 -0.000 0.000 0.213 381 D C 0.440 176.670 176.300 -0.118 0.000 0.985 381 D CA 0.219 53.988 54.000 -0.385 0.000 0.879 381 D CB 0.002 40.630 40.800 -0.288 0.000 0.919 381 D HN 0.006 nan 8.370 nan 0.000 0.526 382 R N 1.765 122.203 120.500 -0.104 0.000 2.368 382 R HA 0.396 4.736 4.340 -0.000 0.000 0.302 382 R C -2.232 174.039 176.300 -0.048 0.000 1.002 382 R CA -1.735 54.322 56.100 -0.070 0.000 0.929 382 R CB 0.790 31.034 30.300 -0.092 0.000 1.073 382 R HN 0.079 nan 8.270 nan 0.000 0.464 383 P HA -0.062 nan 4.420 nan 0.000 0.268 383 P C -0.313 176.972 177.300 -0.025 0.000 1.205 383 P CA -0.079 63.008 63.100 -0.022 0.000 0.771 383 P CB 1.017 32.705 31.700 -0.020 0.000 0.858 384 S N 3.762 119.459 115.700 -0.005 0.000 2.546 384 S HA 0.072 4.542 4.470 -0.000 0.000 0.290 384 S C -1.343 173.254 174.600 -0.005 0.000 1.262 384 S CA -0.889 57.316 58.200 0.007 0.000 1.083 384 S CB -0.294 62.928 63.200 0.038 0.000 0.859 384 S HN 0.248 nan 8.310 nan 0.000 0.495 385 P HA -0.108 nan 4.420 nan 0.000 0.216 385 P C 1.518 178.813 177.300 -0.007 0.000 1.150 385 P CA 0.658 63.732 63.100 -0.044 0.000 0.837 385 P CB 0.038 31.684 31.700 -0.090 0.000 0.786 386 V N -0.458 119.467 119.914 0.018 0.000 2.295 386 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 386 V C 2.440 178.567 176.094 0.055 0.000 1.049 386 V CA 1.664 63.988 62.300 0.041 0.000 1.024 386 V CB -1.199 30.662 31.823 0.064 0.000 0.648 386 V HN 0.084 nan 8.190 nan 0.000 0.447 387 L N -0.810 120.452 121.223 0.065 0.000 2.083 387 L HA -0.170 4.169 4.340 -0.000 0.000 0.209 387 L C 2.420 179.337 176.870 0.078 0.000 1.083 387 L CA 1.445 56.341 54.840 0.093 0.000 0.752 387 L CB -0.561 41.545 42.059 0.079 0.000 0.899 387 L HN 0.324 nan 8.230 nan 0.000 0.433 388 L N -0.888 120.360 121.223 0.041 0.000 2.046 388 L HA -0.195 4.144 4.340 -0.000 0.000 0.208 388 L C 2.666 179.557 176.870 0.034 0.000 1.077 388 L CA 1.071 55.927 54.840 0.027 0.000 0.747 388 L CB -0.541 41.518 42.059 0.001 0.000 0.896 388 L HN 0.186 nan 8.230 nan 0.000 0.432 389 S N -1.172 114.546 115.700 0.029 0.000 2.442 389 S HA -0.144 4.326 4.470 -0.000 0.000 0.236 389 S C 1.615 176.241 174.600 0.043 0.000 1.007 389 S CA 0.925 59.141 58.200 0.027 0.000 0.965 389 S CB -0.310 62.900 63.200 0.017 0.000 0.773 389 S HN 0.477 nan 8.310 nan 0.000 0.504 390 C N 1.296 120.641 119.300 0.075 0.000 2.559 390 C HA 0.471 4.931 4.460 -0.000 0.000 0.300 390 C C 1.933 177.046 174.990 0.204 0.000 1.288 390 C CA -0.238 58.851 59.018 0.119 0.000 1.699 390 C CB -1.419 26.422 27.740 0.168 0.000 1.819 390 C HN 0.737 nan 8.230 nan 0.000 0.600 391 G N 1.118 109.994 108.800 0.126 0.000 2.179 391 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.260 391 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.260 391 G C 0.038 174.990 174.900 0.087 0.000 0.977 391 G CA -0.256 44.909 45.100 0.108 0.000 0.641 391 G HN 0.461 nan 8.290 nan 0.000 0.533 392 I N 2.020 122.651 120.570 0.102 0.000 2.587 392 I HA 0.183 4.352 4.170 -0.000 0.000 0.284 392 I C -1.511 174.606 176.117 0.001 0.000 1.134 392 I CA -2.258 59.071 61.300 0.048 0.000 1.410 392 I CB 0.103 38.152 38.000 0.082 0.000 1.392 392 I HN -0.089 nan 8.210 nan 0.000 0.545 393 P HA 0.001 nan 4.420 nan 0.000 0.266 393 P C 1.273 178.552 177.300 -0.036 0.000 1.193 393 P CA -0.105 62.967 63.100 -0.047 0.000 0.770 393 P CB 0.758 32.410 31.700 -0.080 0.000 0.836 394 V N 2.190 122.088 119.914 -0.027 0.000 2.282 394 V HA -0.276 3.843 4.120 -0.000 0.000 0.249 394 V C 1.669 177.748 176.094 -0.025 0.000 1.057 394 V CA 2.135 64.421 62.300 -0.022 0.000 1.032 394 V CB -0.883 30.927 31.823 -0.021 0.000 0.645 394 V HN 0.614 nan 8.190 nan 0.000 0.447 395 D N -0.328 120.054 120.400 -0.030 0.000 2.219 395 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 395 D C 2.100 178.378 176.300 -0.037 0.000 0.970 395 D CA 1.064 55.046 54.000 -0.029 0.000 0.851 395 D CB 0.061 40.843 40.800 -0.030 0.000 0.943 395 D HN 0.379 nan 8.370 nan 0.000 0.488 396 V N 1.392 121.274 119.914 -0.053 0.000 2.379 396 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 396 V C 2.562 178.637 176.094 -0.032 0.000 1.044 396 V CA 1.535 63.800 62.300 -0.059 0.000 1.036 396 V CB -0.584 31.165 31.823 -0.123 0.000 0.664 396 V HN 0.141 nan 8.190 nan 0.000 0.453 397 A N 0.045 122.852 122.820 -0.022 0.000 1.969 397 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 397 A C 2.347 179.923 177.584 -0.013 0.000 1.169 397 A CA 1.506 53.538 52.037 -0.008 0.000 0.635 397 A CB -0.453 18.548 19.000 0.001 0.000 0.810 397 A HN 0.506 nan 8.150 nan 0.000 0.445 398 R N -0.435 120.058 120.500 -0.011 0.000 2.148 398 R HA -0.047 4.292 4.340 -0.000 0.000 0.227 398 R C 0.658 176.961 176.300 0.004 0.000 1.103 398 R CA 1.299 57.403 56.100 0.007 0.000 0.983 398 R CB -0.150 30.157 30.300 0.013 0.000 0.874 398 R HN 0.444 nan 8.270 nan 0.000 0.451 399 N N 0.120 118.801 118.700 -0.032 0.000 2.280 399 N HA 0.100 4.840 4.740 -0.000 0.000 0.192 399 N C -0.462 174.960 175.510 -0.147 0.000 1.109 399 N CA 0.073 53.080 53.050 -0.071 0.000 0.855 399 N CB 0.690 39.135 38.487 -0.070 0.000 0.974 399 N HN 0.113 nan 8.380 nan 0.000 0.482 400 A N 0.504 123.249 122.820 -0.125 0.000 2.477 400 A HA 0.385 4.704 4.320 -0.000 0.000 0.246 400 A C -0.017 177.405 177.584 -0.269 0.000 1.078 400 A CA 0.057 51.976 52.037 -0.198 0.000 0.770 400 A CB 0.373 19.320 19.000 -0.089 0.000 1.011 400 A HN 0.007 nan 8.150 nan 0.000 0.494 401 V N 3.753 123.365 119.914 -0.502 0.000 2.531 401 V HA 0.425 4.545 4.120 -0.000 0.000 0.301 401 V C 0.220 176.129 176.094 -0.308 0.000 1.034 401 V CA -0.667 61.367 62.300 -0.443 0.000 0.865 401 V CB 1.736 33.166 31.823 -0.656 0.000 0.995 401 V HN 0.965 nan 8.190 nan 0.000 0.424 402 R N 5.039 125.471 120.500 -0.113 0.000 2.207 402 R HA 0.610 4.950 4.340 -0.000 0.000 0.334 402 R C -1.414 174.904 176.300 0.030 0.000 1.013 402 R CA -0.485 55.605 56.100 -0.017 0.000 0.858 402 R CB 0.646 30.946 30.300 -0.001 0.000 1.094 402 R HN 0.674 nan 8.270 nan 0.000 0.457 403 L N 3.964 125.252 121.223 0.108 0.000 2.296 403 L HA 0.385 4.725 4.340 -0.000 0.000 0.286 403 L C -0.363 176.563 176.870 0.093 0.000 1.023 403 L CA -0.635 54.272 54.840 0.112 0.000 0.812 403 L CB 1.922 44.095 42.059 0.190 0.000 1.223 403 L HN 0.700 nan 8.230 nan 0.000 0.421 404 S N 2.288 118.032 115.700 0.073 0.000 2.756 404 S HA 0.575 5.045 4.470 -0.000 0.000 0.303 404 S C -0.317 174.416 174.600 0.223 0.000 1.135 404 S CA -0.878 57.392 58.200 0.117 0.000 1.066 404 S CB 1.313 64.574 63.200 0.102 0.000 1.008 404 S HN 0.380 nan 8.310 nan 0.000 0.482 405 V N 1.262 121.290 119.914 0.190 0.000 3.336 405 V HA 1.004 5.124 4.120 -0.000 0.000 0.304 405 V C 0.636 176.715 176.094 -0.025 0.000 1.073 405 V CA 0.116 62.541 62.300 0.209 0.000 1.074 405 V CB 0.637 32.521 31.823 0.101 0.000 1.161 405 V HN 1.074 nan 8.190 nan 0.000 0.460 406 G N 0.320 108.892 108.800 -0.380 0.000 3.176 406 G HA2 0.456 4.416 3.960 -0.000 0.000 0.272 406 G HA3 0.456 4.416 3.960 -0.000 0.000 0.272 406 G C 0.179 174.944 174.900 -0.225 0.000 1.349 406 G CA -0.813 43.768 45.100 -0.865 0.000 0.953 406 G HN 0.690 nan 8.290 nan 0.000 0.559 407 R N -0.472 119.904 120.500 -0.205 0.000 2.127 407 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 407 R C 2.510 178.767 176.300 -0.072 0.000 1.134 407 R CA 1.970 58.002 56.100 -0.112 0.000 0.975 407 R CB -0.132 29.892 30.300 -0.460 0.000 0.865 407 R HN 0.462 nan 8.270 nan 0.000 0.447 408 S N -0.788 114.916 115.700 0.006 0.000 2.511 408 S HA 0.045 4.514 4.470 -0.000 0.000 0.214 408 S C 0.627 175.349 174.600 0.202 0.000 0.997 408 S CA -0.421 57.816 58.200 0.060 0.000 0.908 408 S CB 0.210 63.474 63.200 0.106 0.000 0.803 408 S HN 0.003 nan 8.310 nan 0.000 0.504 409 T N 4.039 118.765 114.554 0.287 0.000 2.933 409 T HA 0.329 4.679 4.350 -0.000 0.000 0.306 409 T C 0.489 175.363 174.700 0.290 0.000 1.045 409 T CA 0.624 62.893 62.100 0.281 0.000 1.143 409 T CB 0.580 69.586 68.868 0.230 0.000 1.003 409 T HN 0.654 nan 8.240 nan 0.000 0.540 410 T N 0.447 115.118 114.554 0.195 0.000 2.940 410 T HA 0.459 4.808 4.350 -0.000 0.000 0.288 410 T C 1.199 175.960 174.700 0.102 0.000 1.045 410 T CA -1.235 60.955 62.100 0.149 0.000 1.018 410 T CB 1.638 70.572 68.868 0.110 0.000 1.151 410 T HN 0.467 nan 8.240 nan 0.000 0.529 411 R N 0.049 120.563 120.500 0.024 0.000 2.115 411 R HA 0.029 4.369 4.340 -0.000 0.000 0.230 411 R C 2.593 178.965 176.300 0.120 0.000 1.111 411 R CA 1.157 57.249 56.100 -0.013 0.000 0.976 411 R CB -0.747 29.295 30.300 -0.431 0.000 0.870 411 R HN 0.800 nan 8.270 nan 0.000 0.445 412 A N 1.301 124.163 122.820 0.070 0.000 1.969 412 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 412 A C 1.810 179.456 177.584 0.103 0.000 1.169 412 A CA 1.188 53.274 52.037 0.083 0.000 0.635 412 A CB -0.190 18.843 19.000 0.055 0.000 0.810 412 A HN 0.296 nan 8.150 nan 0.000 0.445 413 E N -0.409 119.859 120.200 0.113 0.000 2.152 413 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 413 E C 1.937 178.610 176.600 0.122 0.000 0.983 413 E CA 0.989 57.460 56.400 0.117 0.000 0.818 413 E CB -0.153 29.629 29.700 0.136 0.000 0.758 413 E HN 0.418 nan 8.360 nan 0.000 0.467 414 V N 2.066 122.071 119.914 0.152 0.000 2.295 414 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 414 V C 1.748 177.897 176.094 0.092 0.000 1.049 414 V CA 1.919 64.302 62.300 0.138 0.000 1.024 414 V CB -0.415 31.548 31.823 0.234 0.000 0.648 414 V HN 0.201 nan 8.190 nan 0.000 0.447 415 D N 0.151 120.633 120.400 0.136 0.000 2.123 415 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 415 D C 2.183 178.511 176.300 0.047 0.000 0.992 415 D CA 1.263 55.311 54.000 0.079 0.000 0.833 415 D CB -0.261 40.605 40.800 0.110 0.000 0.954 415 D HN 0.334 nan 8.370 nan 0.000 0.455 416 L N 0.520 121.781 121.223 0.064 0.000 2.012 416 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 416 L C 2.517 179.418 176.870 0.052 0.000 1.073 416 L CA 0.987 55.860 54.840 0.054 0.000 0.748 416 L CB -0.552 41.545 42.059 0.063 0.000 0.891 416 L HN 0.125 nan 8.230 nan 0.000 0.431 417 I N -3.609 116.998 120.570 0.060 0.000 2.761 417 I HA -0.063 4.107 4.170 -0.000 0.000 0.261 417 I C 2.125 178.279 176.117 0.062 0.000 1.198 417 I CA 0.957 62.296 61.300 0.066 0.000 1.482 417 I CB -0.709 37.337 38.000 0.076 0.000 1.100 417 I HN -0.165 nan 8.210 nan 0.000 0.445 418 V N 0.640 120.571 119.914 0.027 0.000 2.358 418 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 418 V C 2.703 178.804 176.094 0.012 0.000 1.047 418 V CA 1.648 63.950 62.300 0.003 0.000 1.035 418 V CB -0.766 31.006 31.823 -0.086 0.000 0.658 418 V HN 0.456 nan 8.190 nan 0.000 0.452 419 Q N -0.469 119.332 119.800 0.003 0.000 2.167 419 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 419 Q C 2.011 178.037 176.000 0.044 0.000 0.970 419 Q CA 1.621 57.427 55.803 0.004 0.000 0.855 419 Q CB -0.497 28.242 28.738 0.002 0.000 0.911 419 Q HN 0.677 nan 8.270 nan 0.000 0.438 420 D N 0.264 120.699 120.400 0.059 0.000 2.097 420 D HA -0.097 4.543 4.640 -0.000 0.000 0.197 420 D C 1.985 178.345 176.300 0.100 0.000 0.984 420 D CA 0.788 54.830 54.000 0.069 0.000 0.826 420 D CB -0.082 40.758 40.800 0.067 0.000 0.973 420 D HN 0.155 nan 8.370 nan 0.000 0.460 421 L N 0.214 121.523 121.223 0.143 0.000 2.046 421 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 421 L C 2.619 179.667 176.870 0.296 0.000 1.077 421 L CA 1.196 56.164 54.840 0.214 0.000 0.747 421 L CB -0.461 41.769 42.059 0.285 0.000 0.896 421 L HN 0.077 nan 8.230 nan 0.000 0.432 422 K N 0.152 120.735 120.400 0.305 0.000 2.032 422 K HA -0.254 4.065 4.320 -0.000 0.000 0.209 422 K C 2.088 178.786 176.600 0.163 0.000 1.048 422 K CA 1.747 58.190 56.287 0.259 0.000 0.927 422 K CB -0.039 32.474 32.500 0.021 0.000 0.712 422 K HN 0.391 nan 8.250 nan 0.000 0.441 423 Q N -0.358 119.503 119.800 0.101 0.000 2.119 423 Q HA -0.091 4.249 4.340 -0.000 0.000 0.201 423 Q C 2.153 178.192 176.000 0.065 0.000 0.972 423 Q CA 1.258 57.102 55.803 0.068 0.000 0.847 423 Q CB -0.103 28.663 28.738 0.047 0.000 0.903 423 Q HN 0.427 nan 8.270 nan 0.000 0.433 424 A N 0.496 123.359 122.820 0.072 0.000 1.902 424 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 424 A C 2.335 179.941 177.584 0.038 0.000 1.181 424 A CA 1.232 53.296 52.037 0.045 0.000 0.623 424 A CB -0.612 18.414 19.000 0.043 0.000 0.818 424 A HN 0.198 nan 8.150 nan 0.000 0.443 425 V N 1.007 120.962 119.914 0.069 0.000 2.307 425 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 425 V C 2.205 178.333 176.094 0.056 0.000 1.045 425 V CA 1.999 64.328 62.300 0.049 0.000 1.024 425 V CB -0.910 30.960 31.823 0.078 0.000 0.651 425 V HN 0.549 nan 8.190 nan 0.000 0.449 426 N N 0.060 118.809 118.700 0.081 0.000 2.289 426 N HA -0.218 4.522 4.740 -0.000 0.000 0.184 426 N C 1.892 177.421 175.510 0.032 0.000 1.016 426 N CA 1.544 54.629 53.050 0.058 0.000 0.872 426 N CB -0.236 38.286 38.487 0.058 0.000 0.973 426 N HN 0.683 nan 8.380 nan 0.000 0.433 427 Q N 0.379 120.194 119.800 0.026 0.000 2.137 427 Q HA 0.014 4.354 4.340 -0.000 0.000 0.198 427 Q C 1.932 177.931 176.000 -0.001 0.000 0.960 427 Q CA 0.647 56.456 55.803 0.011 0.000 0.847 427 Q CB 0.163 28.906 28.738 0.008 0.000 0.915 427 Q HN 0.290 nan 8.270 nan 0.000 0.448 428 L N 0.001 121.219 121.223 -0.007 0.000 2.071 428 L HA -0.042 4.297 4.340 -0.000 0.000 0.201 428 L C 2.436 179.296 176.870 -0.017 0.000 1.076 428 L CA 1.193 56.019 54.840 -0.023 0.000 0.755 428 L CB -0.223 41.809 42.059 -0.044 0.000 0.915 428 L HN 0.189 nan 8.230 nan 0.000 0.445 429 E N -0.073 120.122 120.200 -0.009 0.000 2.170 429 E HA 0.129 4.479 4.350 -0.000 0.000 0.191 429 E C 0.785 177.390 176.600 0.007 0.000 0.981 429 E CA 0.696 57.094 56.400 -0.003 0.000 0.830 429 E CB 0.149 29.849 29.700 -0.001 0.000 0.775 429 E HN 0.354 nan 8.360 nan 0.000 0.470 430 G N 0.480 109.289 108.800 0.015 0.000 2.796 430 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.571 430 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.571 430 G C -2.383 172.533 174.900 0.027 0.000 1.370 430 G CA -0.435 44.675 45.100 0.018 0.000 0.856 430 G HN 0.209 nan 8.290 nan 0.000 0.538 431 P HA 0.516 nan 4.420 nan 0.000 0.272 431 P C 0.315 177.630 177.300 0.025 0.000 1.223 431 P CA 0.457 63.574 63.100 0.028 0.000 0.784 431 P CB 1.384 33.096 31.700 0.020 0.000 0.923 432 V N 0.000 119.932 119.914 0.030 0.000 2.409 432 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 432 V CA 0.000 62.316 62.300 0.026 0.000 1.235 432 V CB 0.000 31.843 31.823 0.033 0.000 1.184 432 V HN 0.000 nan 8.190 nan 0.000 0.556