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 3nmo_1_A DATA FIRST_RESID 22 DATA SEQUENCE IRQLLERDKT PLAILFMAAV VGTLVGLAAV AFDKGVAWLQ NQRMGALVHT DATA SEQUENCE ADNYPLLLTV AFLCSAVLAM FGYFLVRKYA PEAGGSGIPE IEGALEDQRP DATA SEQUENCE VRWWRVLPVK FFGGLGTLGG GMVLGREGPT VQIGGNIGRM VLDIFRLKGD DATA SEQUENCE EARHTLLATG AAAGLAAAFN APLAGILFIW EEMRPQFRYT LISIKAVFIG DATA SEQUENCE VIMSTIMYRI FNHEVALIDV GKLSDAPLNT LWLYLILGII FGIFGPIFNK DATA SEQUENCE WVLGMQDLLH RVHGGNITKW VLMGGAIGGL CGLLGFVAPA TSGGGFNLIP DATA SEQUENCE IATAGNFSMG MLVFIFVARV ITTLLCFSSG APGGIFAPML ALGTVLGTAF DATA SEQUENCE GMVAVELFPQ YHLEAGTFAI AGMGALLAAS IRAPLTGIIL VLEMTDNYQL DATA SEQUENCE WLPMIITGLG ATLLAQFTGG KPLYSAILAR TLAKQEAEQ 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 22 I HA 0.000 nan 4.170 nan 0.000 0.288 22 I C 0.000 176.075 176.117 -0.070 0.000 1.063 22 I CA 0.000 61.268 61.300 -0.053 0.000 1.566 22 I CB 0.000 37.968 38.000 -0.053 0.000 1.214 23 R N 1.521 121.974 120.500 -0.078 0.000 2.235 23 R HA -0.066 4.286 4.340 0.019 0.000 0.213 23 R C 1.804 177.996 176.300 -0.181 0.000 1.059 23 R CA 1.653 57.684 56.100 -0.115 0.000 0.997 23 R CB 0.265 30.511 30.300 -0.090 0.000 0.884 23 R HN 0.885 nan 8.270 nan 0.000 0.462 24 Q N 0.775 120.484 119.800 -0.152 0.000 2.119 24 Q HA -0.065 4.287 4.340 0.019 0.000 0.201 24 Q C 1.955 177.877 176.000 -0.131 0.000 0.972 24 Q CA 1.042 56.749 55.803 -0.160 0.000 0.847 24 Q CB 0.117 28.789 28.738 -0.109 0.000 0.903 24 Q HN 0.341 nan 8.270 nan 0.000 0.433 25 L N -0.379 120.783 121.223 -0.102 0.000 2.109 25 L HA -0.146 4.206 4.340 0.019 0.000 0.207 25 L C 1.770 178.586 176.870 -0.091 0.000 1.086 25 L CA 0.316 55.107 54.840 -0.083 0.000 0.760 25 L CB -0.344 41.676 42.059 -0.065 0.000 0.910 25 L HN 0.204 nan 8.230 nan 0.000 0.437 26 L N 0.528 121.687 121.223 -0.107 0.000 2.549 26 L HA -0.138 4.213 4.340 0.019 0.000 0.230 26 L C 1.326 178.118 176.870 -0.130 0.000 1.162 26 L CA 1.403 56.176 54.840 -0.110 0.000 0.834 26 L CB -0.780 41.210 42.059 -0.115 0.000 0.947 26 L HN 0.472 nan 8.230 nan 0.000 0.452 27 E N -0.708 119.405 120.200 -0.145 0.000 4.120 27 E HA 0.144 4.505 4.350 0.019 0.000 0.202 27 E C 0.039 176.573 176.600 -0.109 0.000 1.067 27 E CA -0.409 55.902 56.400 -0.148 0.000 1.424 27 E CB 0.089 29.653 29.700 -0.227 0.000 1.164 27 E HN 0.388 nan 8.360 nan 0.000 0.439 28 R N 1.019 121.469 120.500 -0.083 0.000 3.701 28 R HA 0.294 4.646 4.340 0.019 0.000 0.210 28 R C -1.158 175.115 176.300 -0.045 0.000 1.598 28 R CA -0.329 55.735 56.100 -0.061 0.000 1.427 28 R CB -0.233 30.035 30.300 -0.053 0.000 1.339 28 R HN -0.097 nan 8.270 nan 0.000 0.720 29 D N 2.041 122.417 120.400 -0.039 0.000 2.593 29 D HA 0.191 4.842 4.640 0.019 0.000 0.251 29 D C -0.835 175.459 176.300 -0.010 0.000 1.140 29 D CA -0.761 53.226 54.000 -0.022 0.000 0.855 29 D CB 1.723 42.513 40.800 -0.017 0.000 1.267 29 D HN 0.181 nan 8.370 nan 0.000 0.532 30 K N 1.000 121.395 120.400 -0.008 0.000 2.412 30 K HA 0.479 4.811 4.320 0.019 0.000 0.281 30 K C -0.078 176.524 176.600 0.005 0.000 1.027 30 K CA 0.270 56.553 56.287 -0.006 0.000 0.989 30 K CB 0.599 33.093 32.500 -0.011 0.000 0.935 30 K HN 0.246 nan 8.250 nan 0.000 0.475 31 T N 3.548 118.105 114.554 0.004 0.000 2.900 31 T HA 0.364 4.725 4.350 0.019 0.000 0.303 31 T C -2.554 172.141 174.700 -0.009 0.000 1.142 31 T CA -1.539 60.567 62.100 0.010 0.000 1.007 31 T CB 1.670 70.557 68.868 0.031 0.000 1.156 31 T HN 0.297 nan 8.240 nan 0.000 0.490 32 P HA 0.184 nan 4.420 nan 0.000 0.268 32 P C 0.835 178.096 177.300 -0.065 0.000 1.204 32 P CA -0.344 62.729 63.100 -0.046 0.000 0.768 32 P CB 0.546 32.219 31.700 -0.045 0.000 0.842 33 L N 3.787 124.943 121.223 -0.112 0.000 2.083 33 L HA -0.182 4.170 4.340 0.019 0.000 0.209 33 L C 2.051 178.760 176.870 -0.269 0.000 1.083 33 L CA 2.197 56.930 54.840 -0.178 0.000 0.752 33 L CB -0.817 41.082 42.059 -0.266 0.000 0.899 33 L HN 0.437 nan 8.230 nan 0.000 0.433 34 A N 0.017 122.676 122.820 -0.268 0.000 1.940 34 A HA -0.206 4.126 4.320 0.019 0.000 0.219 34 A C 2.217 179.727 177.584 -0.124 0.000 1.176 34 A CA 2.114 53.995 52.037 -0.260 0.000 0.631 34 A CB -0.929 17.959 19.000 -0.185 0.000 0.814 34 A HN 0.544 nan 8.150 nan 0.000 0.446 35 I N -0.240 120.282 120.570 -0.079 0.000 2.286 35 I HA -0.256 3.926 4.170 0.019 0.000 0.248 35 I C 2.318 178.445 176.117 0.016 0.000 1.115 35 I CA 0.996 62.274 61.300 -0.037 0.000 1.392 35 I CB -0.348 37.641 38.000 -0.018 0.000 1.065 35 I HN 0.311 nan 8.210 nan 0.000 0.418 36 L N -0.230 121.026 121.223 0.055 0.000 2.046 36 L HA -0.223 4.129 4.340 0.019 0.000 0.208 36 L C 2.596 179.602 176.870 0.226 0.000 1.077 36 L CA 1.724 56.643 54.840 0.133 0.000 0.747 36 L CB -0.680 41.474 42.059 0.158 0.000 0.896 36 L HN 0.214 nan 8.230 nan 0.000 0.432 37 F N -0.811 119.095 119.950 -0.073 0.000 2.134 37 F HA -0.266 4.273 4.527 0.020 0.000 0.299 37 F C 2.706 178.426 175.800 -0.133 0.000 1.097 37 F CA 0.470 58.414 58.000 -0.093 0.000 1.264 37 F CB -0.088 38.846 39.000 -0.110 0.000 1.001 37 F HN 0.073 nan 8.300 nan 0.000 0.479 38 M N -0.076 119.536 119.600 0.019 0.000 2.202 38 M HA -0.180 4.312 4.480 0.019 0.000 0.262 38 M C 2.454 178.720 176.300 -0.057 0.000 1.063 38 M CA 1.435 56.664 55.300 -0.119 0.000 1.097 38 M CB -1.553 30.942 32.600 -0.176 0.000 1.382 38 M HN 0.175 nan 8.290 nan 0.000 0.413 39 A N -0.163 122.654 122.820 -0.005 0.000 1.930 39 A HA 0.088 4.420 4.320 0.019 0.000 0.217 39 A C 2.388 179.970 177.584 -0.004 0.000 1.175 39 A CA 1.709 53.750 52.037 0.006 0.000 0.627 39 A CB -0.725 18.299 19.000 0.041 0.000 0.815 39 A HN 0.462 nan 8.150 nan 0.000 0.443 40 A N -0.640 122.171 122.820 -0.015 0.000 1.969 40 A HA 0.078 4.409 4.320 0.019 0.000 0.218 40 A C 2.184 179.740 177.584 -0.047 0.000 1.169 40 A CA 1.569 53.582 52.037 -0.040 0.000 0.635 40 A CB -0.681 18.263 19.000 -0.094 0.000 0.810 40 A HN 0.314 nan 8.150 nan 0.000 0.445 41 V N -0.458 119.424 119.914 -0.054 0.000 2.270 41 V HA -0.217 3.914 4.120 0.019 0.000 0.245 41 V C 2.593 178.666 176.094 -0.035 0.000 1.043 41 V CA 1.938 64.213 62.300 -0.043 0.000 1.014 41 V CB -0.679 31.116 31.823 -0.048 0.000 0.645 41 V HN 0.373 nan 8.190 nan 0.000 0.447 42 V N 0.893 120.783 119.914 -0.040 0.000 2.231 42 V HA -0.284 3.847 4.120 0.019 0.000 0.248 42 V C 2.666 178.742 176.094 -0.029 0.000 1.054 42 V CA 2.471 64.747 62.300 -0.040 0.000 1.015 42 V CB -1.662 30.140 31.823 -0.036 0.000 0.638 42 V HN 0.621 nan 8.190 nan 0.000 0.444 43 G N -0.499 108.291 108.800 -0.017 0.000 2.529 43 G HA2 -0.331 3.641 3.960 0.019 0.000 0.219 43 G HA3 -0.331 3.641 3.960 0.019 0.000 0.219 43 G C 1.678 176.577 174.900 -0.001 0.000 1.177 43 G CA 1.899 46.996 45.100 -0.005 0.000 0.773 43 G HN 0.488 nan 8.290 nan 0.000 0.573 44 T N 1.275 115.826 114.554 -0.004 0.000 2.746 44 T HA -0.019 4.342 4.350 0.019 0.000 0.267 44 T C 2.458 177.158 174.700 -0.001 0.000 1.039 44 T CA 1.113 63.218 62.100 0.008 0.000 1.142 44 T CB -0.205 68.665 68.868 0.002 0.000 0.866 44 T HN 0.170 nan 8.240 nan 0.000 0.444 45 L N 0.661 121.871 121.223 -0.022 0.000 2.005 45 L HA -0.067 4.285 4.340 0.019 0.000 0.207 45 L C 2.708 179.549 176.870 -0.048 0.000 1.072 45 L CA 0.945 55.760 54.840 -0.042 0.000 0.744 45 L CB -0.837 41.187 42.059 -0.057 0.000 0.895 45 L HN 0.121 nan 8.230 nan 0.000 0.433 46 V N 0.506 120.394 119.914 -0.043 0.000 2.392 46 V HA -0.240 3.892 4.120 0.019 0.000 0.249 46 V C 2.632 178.713 176.094 -0.021 0.000 1.059 46 V CA 1.957 64.232 62.300 -0.042 0.000 1.051 46 V CB -1.392 30.407 31.823 -0.040 0.000 0.658 46 V HN 0.597 nan 8.190 nan 0.000 0.455 47 G N 0.021 108.823 108.800 0.003 0.000 2.480 47 G HA2 -0.239 3.733 3.960 0.019 0.000 0.216 47 G HA3 -0.239 3.733 3.960 0.019 0.000 0.216 47 G C 1.552 176.463 174.900 0.019 0.000 1.200 47 G CA 1.145 46.268 45.100 0.039 0.000 0.782 47 G HN 0.462 nan 8.290 nan 0.000 0.554 48 L N 0.748 121.961 121.223 -0.016 0.000 2.042 48 L HA -0.123 4.229 4.340 0.019 0.000 0.210 48 L C 3.461 180.277 176.870 -0.090 0.000 1.076 48 L CA 1.078 55.861 54.840 -0.095 0.000 0.749 48 L CB -0.614 41.389 42.059 -0.093 0.000 0.893 48 L HN 0.341 nan 8.230 nan 0.000 0.432 49 A N 0.374 123.158 122.820 -0.060 0.000 1.841 49 A HA -0.262 4.070 4.320 0.019 0.000 0.216 49 A C 2.585 180.225 177.584 0.093 0.000 1.199 49 A CA 2.200 54.219 52.037 -0.029 0.000 0.621 49 A CB -1.056 17.907 19.000 -0.063 0.000 0.835 49 A HN 0.402 nan 8.150 nan 0.000 0.445 50 A N -0.797 122.049 122.820 0.045 0.000 1.884 50 A HA -0.143 4.188 4.320 0.019 0.000 0.219 50 A C 2.284 179.938 177.584 0.116 0.000 1.197 50 A CA 2.363 54.440 52.037 0.067 0.000 0.637 50 A CB -1.313 17.699 19.000 0.019 0.000 0.827 50 A HN 0.549 nan 8.150 nan 0.000 0.450 51 V N -0.375 119.559 119.914 0.033 0.000 2.252 51 V HA -0.302 3.830 4.120 0.019 0.000 0.249 51 V C 3.068 179.141 176.094 -0.036 0.000 1.056 51 V CA 2.303 64.574 62.300 -0.048 0.000 1.022 51 V CB -1.255 30.433 31.823 -0.225 0.000 0.641 51 V HN 0.676 nan 8.190 nan 0.000 0.445 52 A N -1.031 121.783 122.820 -0.010 0.000 1.930 52 A HA -0.217 4.114 4.320 0.019 0.000 0.217 52 A C 2.092 179.774 177.584 0.164 0.000 1.175 52 A CA 1.866 53.935 52.037 0.053 0.000 0.627 52 A CB -0.694 18.349 19.000 0.073 0.000 0.815 52 A HN 0.536 nan 8.150 nan 0.000 0.443 53 F N 1.261 121.278 119.950 0.112 0.000 2.069 53 F HA -0.226 4.315 4.527 0.023 0.000 0.298 53 F C 1.833 177.570 175.800 -0.104 0.000 1.113 53 F CA 2.264 60.216 58.000 -0.079 0.000 1.214 53 F CB -0.262 38.718 39.000 -0.035 0.000 0.978 53 F HN 0.242 nan 8.300 nan 0.000 0.474 54 D N 0.383 120.837 120.400 0.090 0.000 2.116 54 D HA -0.198 4.453 4.640 0.019 0.000 0.193 54 D C 2.199 178.458 176.300 -0.069 0.000 0.998 54 D CA 1.601 55.602 54.000 0.001 0.000 0.836 54 D CB -0.284 40.538 40.800 0.037 0.000 0.951 54 D HN 0.338 nan 8.370 nan 0.000 0.449 55 K N -0.122 120.249 120.400 -0.049 0.000 2.148 55 K HA -0.032 4.300 4.320 0.019 0.000 0.204 55 K C 2.160 178.746 176.600 -0.023 0.000 1.050 55 K CA 1.054 57.328 56.287 -0.021 0.000 0.942 55 K CB -0.248 32.236 32.500 -0.027 0.000 0.724 55 K HN 0.134 nan 8.250 nan 0.000 0.446 56 G N 1.145 109.866 108.800 -0.133 0.000 2.421 56 G HA2 -0.211 3.761 3.960 0.019 0.000 0.216 56 G HA3 -0.211 3.761 3.960 0.019 0.000 0.216 56 G C 1.592 176.416 174.900 -0.126 0.000 1.171 56 G CA 0.737 45.738 45.100 -0.165 0.000 0.775 56 G HN 0.079 nan 8.290 nan 0.000 0.543 57 V N 1.667 121.410 119.914 -0.285 0.000 2.270 57 V HA -0.111 4.021 4.120 0.019 0.000 0.245 57 V C 3.339 179.406 176.094 -0.044 0.000 1.043 57 V CA 1.997 64.169 62.300 -0.212 0.000 1.014 57 V CB -1.091 30.569 31.823 -0.272 0.000 0.645 57 V HN 0.480 nan 8.190 nan 0.000 0.447 58 A N -0.628 122.187 122.820 -0.009 0.000 1.859 58 A HA -0.326 4.005 4.320 0.019 0.000 0.217 58 A C 1.973 179.604 177.584 0.079 0.000 1.198 58 A CA 2.365 54.425 52.037 0.039 0.000 0.629 58 A CB -1.193 17.835 19.000 0.047 0.000 0.830 58 A HN 0.698 nan 8.150 nan 0.000 0.446 59 W N 0.440 121.702 121.300 -0.064 0.000 2.318 59 W HA -0.225 4.439 4.660 0.006 0.000 0.313 59 W C 1.959 178.451 176.519 -0.046 0.000 1.221 59 W CA 2.281 59.597 57.345 -0.049 0.000 1.266 59 W CB -0.364 29.066 29.460 -0.050 0.000 1.150 59 W HN 0.298 nan 8.180 nan 0.000 0.496 60 L N -0.417 120.871 121.223 0.109 0.000 2.044 60 L HA -0.232 4.120 4.340 0.019 0.000 0.205 60 L C 2.634 179.436 176.870 -0.113 0.000 1.075 60 L CA 1.584 56.406 54.840 -0.030 0.000 0.747 60 L CB -1.153 40.946 42.059 0.067 0.000 0.903 60 L HN -0.005 nan 8.230 nan 0.000 0.435 61 Q N -0.282 119.484 119.800 -0.056 0.000 2.197 61 Q HA -0.248 4.103 4.340 0.019 0.000 0.207 61 Q C 2.065 178.015 176.000 -0.083 0.000 0.984 61 Q CA 1.611 57.387 55.803 -0.044 0.000 0.869 61 Q CB -0.126 28.610 28.738 -0.003 0.000 0.906 61 Q HN 0.444 nan 8.270 nan 0.000 0.426 62 N N -0.677 117.940 118.700 -0.139 0.000 2.333 62 N HA -0.127 4.625 4.740 0.019 0.000 0.178 62 N C 1.497 176.843 175.510 -0.273 0.000 1.018 62 N CA 0.608 53.554 53.050 -0.174 0.000 0.882 62 N CB 0.311 38.697 38.487 -0.167 0.000 0.984 62 N HN 0.232 nan 8.380 nan 0.000 0.434 63 Q N 0.951 120.483 119.800 -0.447 0.000 2.119 63 Q HA -0.031 4.321 4.340 0.019 0.000 0.201 63 Q C 1.979 177.826 176.000 -0.255 0.000 0.972 63 Q CA 0.845 56.365 55.803 -0.471 0.000 0.847 63 Q CB -0.342 27.955 28.738 -0.734 0.000 0.903 63 Q HN 0.388 nan 8.270 nan 0.000 0.433 64 R N -0.274 120.113 120.500 -0.188 0.000 2.081 64 R HA 0.001 4.353 4.340 0.019 0.000 0.235 64 R C 2.254 178.513 176.300 -0.068 0.000 1.131 64 R CA 0.987 57.025 56.100 -0.104 0.000 0.960 64 R CB -0.116 30.146 30.300 -0.064 0.000 0.856 64 R HN 0.247 nan 8.270 nan 0.000 0.436 65 M N -0.531 119.033 119.600 -0.059 0.000 2.229 65 M HA -0.055 4.436 4.480 0.019 0.000 0.264 65 M C 2.298 178.582 176.300 -0.027 0.000 1.063 65 M CA 1.331 56.621 55.300 -0.017 0.000 1.114 65 M CB -0.928 31.671 32.600 -0.002 0.000 1.387 65 M HN 0.283 nan 8.290 nan 0.000 0.420 66 G N 0.075 108.833 108.800 -0.071 0.000 2.442 66 G HA2 -0.133 3.838 3.960 0.019 0.000 0.219 66 G HA3 -0.133 3.838 3.960 0.019 0.000 0.219 66 G C 1.630 176.512 174.900 -0.031 0.000 1.141 66 G CA 1.196 46.258 45.100 -0.064 0.000 0.763 66 G HN 0.540 nan 8.290 nan 0.000 0.554 67 A N 0.525 123.315 122.820 -0.050 0.000 1.897 67 A HA 0.191 4.523 4.320 0.019 0.000 0.215 67 A C 2.364 179.955 177.584 0.011 0.000 1.181 67 A CA 0.989 53.012 52.037 -0.023 0.000 0.620 67 A CB -0.334 18.633 19.000 -0.056 0.000 0.821 67 A HN 0.337 nan 8.150 nan 0.000 0.443 68 L N -0.511 120.700 121.223 -0.020 0.000 2.275 68 L HA -0.106 4.246 4.340 0.019 0.000 0.215 68 L C 2.248 179.116 176.870 -0.003 0.000 1.119 68 L CA 0.546 55.358 54.840 -0.047 0.000 0.790 68 L CB -0.382 41.651 42.059 -0.044 0.000 0.919 68 L HN 0.247 nan 8.230 nan 0.000 0.443 69 V N -1.039 118.894 119.914 0.032 0.000 2.500 69 V HA -0.224 3.907 4.120 0.019 0.000 0.243 69 V C 2.341 178.463 176.094 0.045 0.000 1.039 69 V CA 1.373 63.699 62.300 0.044 0.000 1.053 69 V CB -0.379 31.470 31.823 0.043 0.000 0.695 69 V HN 0.468 nan 8.190 nan 0.000 0.463 70 H N 1.199 120.254 119.070 -0.025 0.000 2.457 70 H HA -0.131 4.434 4.556 0.015 0.000 0.297 70 H C 1.749 177.062 175.328 -0.026 0.000 1.092 70 H CA 1.874 57.907 56.048 -0.025 0.000 1.309 70 H CB 0.112 29.855 29.762 -0.032 0.000 1.382 70 H HN 0.548 nan 8.280 nan 0.000 0.535 71 T N -3.195 111.352 114.554 -0.012 0.000 3.308 71 T HA 0.529 4.891 4.350 0.019 0.000 0.270 71 T C 1.377 176.041 174.700 -0.060 0.000 0.992 71 T CA -0.043 62.020 62.100 -0.063 0.000 0.931 71 T CB 0.219 69.073 68.868 -0.022 0.000 1.142 71 T HN 0.371 nan 8.240 nan 0.000 0.525 72 A N 0.932 123.730 122.820 -0.037 0.000 2.168 72 A HA 0.015 4.346 4.320 0.019 0.000 0.215 72 A C 2.117 179.716 177.584 0.025 0.000 1.152 72 A CA 0.981 53.025 52.037 0.013 0.000 0.716 72 A CB -0.429 18.594 19.000 0.038 0.000 0.794 72 A HN 0.594 nan 8.150 nan 0.000 0.465 73 D N 0.278 120.669 120.400 -0.016 0.000 2.097 73 D HA -0.113 4.538 4.640 0.019 0.000 0.197 73 D C 0.058 176.370 176.300 0.020 0.000 0.984 73 D CA 0.797 54.792 54.000 -0.009 0.000 0.826 73 D CB -0.094 40.676 40.800 -0.049 0.000 0.973 73 D HN 0.325 nan 8.370 nan 0.000 0.460 74 N N 0.028 118.733 118.700 0.007 0.000 2.501 74 N HA -0.014 4.738 4.740 0.019 0.000 0.245 74 N C 0.179 175.713 175.510 0.040 0.000 0.974 74 N CA -0.386 52.680 53.050 0.026 0.000 0.941 74 N CB 0.396 38.879 38.487 -0.005 0.000 1.122 74 N HN 0.018 nan 8.380 nan 0.000 0.507 75 Y N 6.204 126.486 120.300 -0.030 0.000 2.133 75 Y HA 0.089 4.650 4.550 0.019 0.000 0.287 75 Y C -0.973 174.897 175.900 -0.049 0.000 1.134 75 Y CA 1.742 59.822 58.100 -0.034 0.000 1.133 75 Y CB -0.699 37.766 38.460 0.007 0.000 0.987 75 Y HN 0.502 nan 8.280 nan 0.000 0.502 76 P HA -0.191 nan 4.420 nan 0.000 0.216 76 P C 1.752 178.963 177.300 -0.149 0.000 1.150 76 P CA 1.485 64.533 63.100 -0.086 0.000 0.837 76 P CB -0.129 31.578 31.700 0.012 0.000 0.786 77 L N -0.820 120.338 121.223 -0.109 0.000 2.046 77 L HA -0.122 4.229 4.340 0.019 0.000 0.208 77 L C 2.223 178.998 176.870 -0.157 0.000 1.077 77 L CA 1.434 56.215 54.840 -0.100 0.000 0.747 77 L CB -1.299 40.726 42.059 -0.056 0.000 0.896 77 L HN -0.146 nan 8.230 nan 0.000 0.432 78 L N -0.820 120.261 121.223 -0.237 0.000 2.043 78 L HA -0.249 4.103 4.340 0.019 0.000 0.212 78 L C 2.221 178.824 176.870 -0.445 0.000 1.075 78 L CA 1.964 56.589 54.840 -0.357 0.000 0.752 78 L CB -0.496 41.284 42.059 -0.466 0.000 0.891 78 L HN 0.282 nan 8.230 nan 0.000 0.432 79 L N -1.391 119.545 121.223 -0.479 0.000 2.056 79 L HA -0.163 4.189 4.340 0.019 0.000 0.207 79 L C 2.374 179.169 176.870 -0.126 0.000 1.078 79 L CA 1.656 56.300 54.840 -0.327 0.000 0.749 79 L CB -1.150 40.728 42.059 -0.301 0.000 0.901 79 L HN 0.261 nan 8.230 nan 0.000 0.433 80 T N -0.478 114.005 114.554 -0.119 0.000 2.867 80 T HA -0.105 4.257 4.350 0.019 0.000 0.268 80 T C 2.000 176.714 174.700 0.024 0.000 1.057 80 T CA 0.955 63.030 62.100 -0.041 0.000 1.136 80 T CB -0.010 68.817 68.868 -0.069 0.000 0.874 80 T HN 0.050 nan 8.240 nan 0.000 0.466 81 V N 1.531 121.424 119.914 -0.034 0.000 2.407 81 V HA -0.053 4.079 4.120 0.019 0.000 0.245 81 V C 2.875 178.962 176.094 -0.011 0.000 1.041 81 V CA 1.407 63.694 62.300 -0.021 0.000 1.040 81 V CB -1.120 30.672 31.823 -0.052 0.000 0.671 81 V HN 0.484 nan 8.190 nan 0.000 0.455 82 A N -0.516 122.273 122.820 -0.051 0.000 1.986 82 A HA -0.286 4.045 4.320 0.019 0.000 0.220 82 A C 2.100 179.719 177.584 0.057 0.000 1.171 82 A CA 2.289 54.314 52.037 -0.019 0.000 0.640 82 A CB -0.686 18.275 19.000 -0.065 0.000 0.811 82 A HN 0.552 nan 8.150 nan 0.000 0.451 83 F N -0.085 119.838 119.950 -0.044 0.000 2.149 83 F HA 0.037 4.575 4.527 0.019 0.000 0.294 83 F C 1.954 177.749 175.800 -0.008 0.000 1.095 83 F CA 1.394 59.385 58.000 -0.015 0.000 1.276 83 F CB -0.122 38.866 39.000 -0.020 0.000 1.023 83 F HN 0.114 nan 8.300 nan 0.000 0.480 84 L N -0.966 120.382 121.223 0.208 0.000 2.044 84 L HA -0.240 4.112 4.340 0.019 0.000 0.205 84 L C 2.594 179.470 176.870 0.011 0.000 1.075 84 L CA 1.147 56.063 54.840 0.127 0.000 0.747 84 L CB -0.940 41.189 42.059 0.117 0.000 0.903 84 L HN 0.268 nan 8.230 nan 0.000 0.435 85 C N -0.826 118.471 119.300 -0.004 0.000 2.413 85 C HA -0.169 4.303 4.460 0.019 0.000 0.276 85 C C 3.164 178.133 174.990 -0.036 0.000 1.236 85 C CA 1.176 60.179 59.018 -0.025 0.000 1.735 85 C CB -0.701 27.018 27.740 -0.034 0.000 2.031 85 C HN 0.484 nan 8.230 nan 0.000 0.474 86 S N 0.479 116.142 115.700 -0.062 0.000 2.382 86 S HA -0.107 4.374 4.470 0.019 0.000 0.228 86 S C 2.128 176.664 174.600 -0.107 0.000 1.027 86 S CA 1.349 59.502 58.200 -0.078 0.000 0.991 86 S CB -0.385 62.750 63.200 -0.108 0.000 0.823 86 S HN 0.711 nan 8.310 nan 0.000 0.469 87 A N 0.576 123.277 122.820 -0.198 0.000 1.873 87 A HA -0.016 4.316 4.320 0.019 0.000 0.215 87 A C 2.311 179.875 177.584 -0.032 0.000 1.186 87 A CA 1.460 53.389 52.037 -0.181 0.000 0.616 87 A CB -1.062 17.785 19.000 -0.256 0.000 0.823 87 A HN 0.351 nan 8.150 nan 0.000 0.442 88 V N 0.042 119.952 119.914 -0.006 0.000 2.407 88 V HA -0.198 3.934 4.120 0.019 0.000 0.248 88 V C 2.404 178.546 176.094 0.080 0.000 1.055 88 V CA 2.001 64.320 62.300 0.032 0.000 1.049 88 V CB -0.418 31.412 31.823 0.012 0.000 0.662 88 V HN 0.573 nan 8.190 nan 0.000 0.455 89 L N -0.196 121.068 121.223 0.069 0.000 2.005 89 L HA -0.099 4.253 4.340 0.019 0.000 0.207 89 L C 2.796 179.802 176.870 0.227 0.000 1.072 89 L CA 1.717 56.633 54.840 0.125 0.000 0.744 89 L CB -0.890 41.215 42.059 0.076 0.000 0.895 89 L HN 0.409 nan 8.230 nan 0.000 0.433 90 A N -0.342 122.588 122.820 0.184 0.000 1.908 90 A HA -0.285 4.046 4.320 0.019 0.000 0.218 90 A C 2.261 180.068 177.584 0.372 0.000 1.181 90 A CA 2.046 54.252 52.037 0.282 0.000 0.627 90 A CB -0.561 18.580 19.000 0.236 0.000 0.818 90 A HN 0.342 nan 8.150 nan 0.000 0.445 91 M N -2.063 117.678 119.600 0.235 0.000 2.108 91 M HA -0.118 4.374 4.480 0.019 0.000 0.261 91 M C 2.005 178.481 176.300 0.294 0.000 1.066 91 M CA 1.980 57.405 55.300 0.209 0.000 1.107 91 M CB -0.447 32.216 32.600 0.106 0.000 1.356 91 M HN 0.587 nan 8.290 nan 0.000 0.406 92 F N 0.349 120.386 119.950 0.145 0.000 2.095 92 F HA -0.176 4.366 4.527 0.024 0.000 0.298 92 F C 2.098 178.037 175.800 0.232 0.000 1.104 92 F CA 1.815 59.917 58.000 0.169 0.000 1.232 92 F CB -0.739 38.332 39.000 0.119 0.000 0.987 92 F HN 0.123 nan 8.300 nan 0.000 0.475 93 G N -0.642 108.281 108.800 0.206 0.000 2.552 93 G HA2 -0.342 3.630 3.960 0.019 0.000 0.216 93 G HA3 -0.342 3.630 3.960 0.019 0.000 0.216 93 G C 1.357 176.249 174.900 -0.013 0.000 1.240 93 G CA 1.161 46.288 45.100 0.045 0.000 0.796 93 G HN 0.454 nan 8.290 nan 0.000 0.568 94 Y N -0.092 120.205 120.300 -0.004 0.000 2.173 94 Y HA -0.195 4.366 4.550 0.018 0.000 0.282 94 Y C 2.409 178.220 175.900 -0.148 0.000 1.192 94 Y CA 1.706 59.757 58.100 -0.082 0.000 1.176 94 Y CB -0.587 37.873 38.460 -0.001 0.000 0.969 94 Y HN 0.268 nan 8.280 nan 0.000 0.519 95 F N -0.160 119.763 119.950 -0.045 0.000 2.060 95 F HA -0.231 4.308 4.527 0.019 0.000 0.295 95 F C 2.069 177.728 175.800 -0.235 0.000 1.120 95 F CA 1.434 59.347 58.000 -0.144 0.000 1.205 95 F CB -0.507 38.436 39.000 -0.095 0.000 0.986 95 F HN -0.113 nan 8.300 nan 0.000 0.470 96 L N -0.154 120.917 121.223 -0.254 0.000 1.997 96 L HA -0.311 4.041 4.340 0.019 0.000 0.216 96 L C 2.390 179.088 176.870 -0.287 0.000 1.074 96 L CA 1.612 56.300 54.840 -0.255 0.000 0.763 96 L CB -1.299 40.649 42.059 -0.185 0.000 0.890 96 L HN 0.096 nan 8.230 nan 0.000 0.434 97 V N -0.155 119.597 119.914 -0.271 0.000 2.252 97 V HA -0.302 3.830 4.120 0.019 0.000 0.249 97 V C 2.689 178.553 176.094 -0.384 0.000 1.056 97 V CA 1.895 64.023 62.300 -0.286 0.000 1.022 97 V CB -0.668 30.969 31.823 -0.310 0.000 0.641 97 V HN 0.453 nan 8.190 nan 0.000 0.445 98 R N -0.436 119.763 120.500 -0.503 0.000 2.119 98 R HA -0.018 4.333 4.340 0.019 0.000 0.222 98 R C 2.272 178.234 176.300 -0.563 0.000 1.088 98 R CA 0.552 56.325 56.100 -0.547 0.000 0.984 98 R CB -0.340 29.597 30.300 -0.604 0.000 0.884 98 R HN 0.388 nan 8.270 nan 0.000 0.447 99 K N -0.030 119.871 120.400 -0.832 0.000 2.116 99 K HA -0.051 4.281 4.320 0.019 0.000 0.203 99 K C 1.198 177.247 176.600 -0.918 0.000 1.052 99 K CA 1.362 56.983 56.287 -1.109 0.000 0.952 99 K CB 0.216 31.545 32.500 -1.952 0.000 0.729 99 K HN 0.285 nan 8.250 nan 0.000 0.446 100 Y N -2.193 117.919 120.300 -0.313 0.000 2.425 100 Y HA 0.337 4.899 4.550 0.019 0.000 0.261 100 Y C 0.311 176.101 175.900 -0.183 0.000 1.084 100 Y CA -0.239 57.737 58.100 -0.208 0.000 1.248 100 Y CB 1.323 39.679 38.460 -0.174 0.000 1.270 100 Y HN -0.068 nan 8.280 nan 0.000 0.524 101 A N -0.183 122.580 122.820 -0.096 0.000 3.208 101 A HA 0.367 4.699 4.320 0.019 0.000 0.252 101 A C -2.496 174.991 177.584 -0.162 0.000 1.225 101 A CA -0.655 51.311 52.037 -0.118 0.000 0.980 101 A CB -0.122 18.821 19.000 -0.096 0.000 1.414 101 A HN -0.050 nan 8.150 nan 0.000 0.721 102 P HA -0.250 nan 4.420 nan 0.000 0.217 102 P C 1.531 178.738 177.300 -0.156 0.000 1.148 102 P CA 1.859 64.835 63.100 -0.206 0.000 0.834 102 P CB 0.281 31.877 31.700 -0.173 0.000 0.783 103 E N -0.268 119.858 120.200 -0.123 0.000 2.478 103 E HA -0.075 4.287 4.350 0.019 0.000 0.198 103 E C 1.445 177.985 176.600 -0.099 0.000 1.046 103 E CA 1.093 57.434 56.400 -0.098 0.000 0.870 103 E CB -0.783 28.863 29.700 -0.090 0.000 0.818 103 E HN 0.169 nan 8.360 nan 0.000 0.527 104 A N 1.475 124.225 122.820 -0.117 0.000 2.208 104 A HA 0.269 4.601 4.320 0.019 0.000 0.209 104 A C 1.434 178.946 177.584 -0.120 0.000 1.161 104 A CA 0.437 52.412 52.037 -0.104 0.000 0.782 104 A CB -0.466 18.478 19.000 -0.093 0.000 0.816 104 A HN 0.302 nan 8.150 nan 0.000 0.477 105 G N -1.225 107.484 108.800 -0.151 0.000 2.614 105 G HA2 0.517 4.489 3.960 0.019 0.000 0.239 105 G HA3 0.517 4.489 3.960 0.019 0.000 0.239 105 G C 0.838 175.659 174.900 -0.132 0.000 1.240 105 G CA 0.206 45.204 45.100 -0.170 0.000 0.842 105 G HN 1.497 nan 8.290 nan 0.000 0.584 106 G N 0.075 108.766 108.800 -0.182 0.000 2.601 106 G HA2 -0.203 3.768 3.960 0.019 0.000 0.261 106 G HA3 -0.203 3.768 3.960 0.019 0.000 0.261 106 G C 1.391 176.299 174.900 0.013 0.000 1.289 106 G CA 0.644 45.598 45.100 -0.243 0.000 0.920 106 G HN 1.357 nan 8.290 nan 0.000 0.571 107 S N -0.245 115.598 115.700 0.239 0.000 2.368 107 S HA 0.183 4.665 4.470 0.019 0.000 0.225 107 S C 2.503 177.150 174.600 0.080 0.000 1.030 107 S CA 2.463 60.832 58.200 0.281 0.000 0.999 107 S CB -0.900 62.555 63.200 0.425 0.000 0.844 107 S HN 2.718 nan 8.310 nan 0.000 0.459 108 G N 0.242 109.064 108.800 0.038 0.000 2.155 108 G HA2 -0.248 3.724 3.960 0.019 0.000 0.257 108 G HA3 -0.248 3.724 3.960 0.019 0.000 0.257 108 G C 0.719 175.580 174.900 -0.066 0.000 0.983 108 G CA 0.615 45.700 45.100 -0.025 0.000 0.676 108 G HN 0.548 nan 8.290 nan 0.000 0.528 109 I N 0.646 121.147 120.570 -0.115 0.000 2.406 109 I HA -0.037 4.145 4.170 0.019 0.000 0.249 109 I C -0.038 175.950 176.117 -0.214 0.000 1.122 109 I CA 1.166 62.317 61.300 -0.248 0.000 1.431 109 I CB -0.515 37.140 38.000 -0.575 0.000 1.087 109 I HN 0.120 nan 8.210 nan 0.000 0.424 110 P HA -0.075 nan 4.420 nan 0.000 0.229 110 P C 1.291 178.575 177.300 -0.027 0.000 1.160 110 P CA 0.899 63.987 63.100 -0.021 0.000 0.777 110 P CB 0.065 31.822 31.700 0.095 0.000 0.814 111 E N 0.024 120.202 120.200 -0.037 0.000 2.017 111 E HA -0.119 4.243 4.350 0.019 0.000 0.193 111 E C 2.019 178.588 176.600 -0.051 0.000 0.997 111 E CA 1.055 57.431 56.400 -0.041 0.000 0.804 111 E CB -0.848 28.824 29.700 -0.048 0.000 0.757 111 E HN 0.166 nan 8.360 nan 0.000 0.448 112 I N 1.580 122.110 120.570 -0.067 0.000 2.335 112 I HA -0.221 3.961 4.170 0.019 0.000 0.251 112 I C 2.149 178.213 176.117 -0.088 0.000 1.129 112 I CA 1.162 62.419 61.300 -0.072 0.000 1.402 112 I CB -1.003 36.949 38.000 -0.079 0.000 1.069 112 I HN 0.194 nan 8.210 nan 0.000 0.424 113 E N 0.573 120.714 120.200 -0.097 0.000 2.077 113 E HA -0.162 4.199 4.350 0.019 0.000 0.193 113 E C 2.299 178.850 176.600 -0.081 0.000 0.989 113 E CA 1.260 57.597 56.400 -0.105 0.000 0.800 113 E CB -0.307 29.344 29.700 -0.082 0.000 0.746 113 E HN 0.559 nan 8.360 nan 0.000 0.452 114 G N 0.765 109.534 108.800 -0.052 0.000 2.421 114 G HA2 -0.161 3.811 3.960 0.019 0.000 0.217 114 G HA3 -0.161 3.811 3.960 0.019 0.000 0.217 114 G C 1.620 176.502 174.900 -0.030 0.000 1.143 114 G CA 0.687 45.766 45.100 -0.036 0.000 0.784 114 G HN 0.317 nan 8.290 nan 0.000 0.541 115 A N 0.600 123.402 122.820 -0.030 0.000 1.930 115 A HA 0.178 4.509 4.320 0.019 0.000 0.217 115 A C 2.303 179.888 177.584 0.001 0.000 1.175 115 A CA 0.850 52.885 52.037 -0.002 0.000 0.627 115 A CB -0.319 18.680 19.000 -0.001 0.000 0.815 115 A HN 0.336 nan 8.150 nan 0.000 0.443 116 L N -0.350 120.829 121.223 -0.073 0.000 2.362 116 L HA -0.080 4.272 4.340 0.019 0.000 0.219 116 L C 1.767 178.490 176.870 -0.245 0.000 1.134 116 L CA 0.722 55.444 54.840 -0.197 0.000 0.807 116 L CB -0.218 41.695 42.059 -0.243 0.000 0.927 116 L HN 0.393 nan 8.230 nan 0.000 0.447 117 E N -0.609 119.522 120.200 -0.115 0.000 2.479 117 E HA -0.069 4.293 4.350 0.019 0.000 0.193 117 E C -0.265 176.332 176.600 -0.005 0.000 1.049 117 E CA 0.050 56.403 56.400 -0.079 0.000 0.870 117 E CB 0.155 29.819 29.700 -0.059 0.000 0.944 117 E HN 0.311 nan 8.360 nan 0.000 0.492 118 D N 0.773 121.204 120.400 0.051 0.000 2.882 118 D HA -0.229 4.423 4.640 0.019 0.000 0.229 118 D C 0.678 177.002 176.300 0.040 0.000 1.167 118 D CA 0.920 54.971 54.000 0.086 0.000 0.759 118 D CB -1.014 39.857 40.800 0.118 0.000 1.088 118 D HN 0.392 nan 8.370 nan 0.000 0.425 119 Q N -1.306 118.504 119.800 0.017 0.000 2.280 119 Q HA 0.109 4.461 4.340 0.019 0.000 0.228 119 Q C 0.347 176.351 176.000 0.006 0.000 0.857 119 Q CA 0.152 55.960 55.803 0.008 0.000 0.939 119 Q CB 0.854 29.591 28.738 -0.001 0.000 1.114 119 Q HN 0.020 nan 8.270 nan 0.000 0.514 120 R N 0.874 121.377 120.500 0.005 0.000 2.686 120 R HA 0.448 4.800 4.340 0.019 0.000 0.286 120 R C -2.494 173.809 176.300 0.006 0.000 0.969 120 R CA -2.075 54.024 56.100 -0.001 0.000 0.898 120 R CB 0.927 31.219 30.300 -0.014 0.000 1.183 120 R HN 0.020 nan 8.270 nan 0.000 0.456 121 P HA 0.201 nan 4.420 nan 0.000 0.282 121 P C -0.418 176.866 177.300 -0.026 0.000 1.286 121 P CA -0.354 62.748 63.100 0.004 0.000 0.777 121 P CB 0.682 32.379 31.700 -0.005 0.000 1.184 122 V N 0.635 120.524 119.914 -0.041 0.000 2.666 122 V HA 0.167 4.299 4.120 0.019 0.000 0.269 122 V C 0.670 176.599 176.094 -0.274 0.000 0.926 122 V CA -0.425 61.834 62.300 -0.068 0.000 1.035 122 V CB 0.129 31.984 31.823 0.053 0.000 1.099 122 V HN 0.416 nan 8.190 nan 0.000 0.519 123 R N 2.711 122.874 120.500 -0.562 0.000 4.113 123 R HA 0.015 4.366 4.340 0.019 0.000 0.179 123 R C 1.569 177.034 176.300 -1.391 0.000 1.781 123 R CA -0.210 55.028 56.100 -1.437 0.000 1.402 123 R CB -0.132 29.564 30.300 -1.007 0.000 1.375 123 R HN 0.910 nan 8.270 nan 0.000 0.786 124 W N 1.198 121.959 121.300 -0.898 0.000 2.342 124 W HA -0.244 4.427 4.660 0.019 0.000 0.297 124 W C 0.776 177.142 176.519 -0.254 0.000 1.213 124 W CA 0.649 57.765 57.345 -0.381 0.000 1.251 124 W CB -1.163 28.234 29.460 -0.105 0.000 1.136 124 W HN 0.494 nan 8.180 nan 0.000 0.526 125 W N 1.578 122.570 121.300 -0.514 0.000 2.364 125 W HA -0.004 4.667 4.660 0.019 0.000 0.281 125 W C 2.225 178.661 176.519 -0.138 0.000 1.219 125 W CA 1.586 58.692 57.345 -0.397 0.000 1.220 125 W CB -1.348 27.664 29.460 -0.746 0.000 1.127 125 W HN -0.220 nan 8.180 nan 0.000 0.556 126 R N 0.419 120.654 120.500 -0.442 0.000 2.087 126 R HA 0.046 4.398 4.340 0.019 0.000 0.213 126 R C 2.243 178.458 176.300 -0.141 0.000 1.137 126 R CA 1.065 57.027 56.100 -0.230 0.000 1.022 126 R CB -0.778 29.349 30.300 -0.288 0.000 0.920 126 R HN 0.099 nan 8.270 nan 0.000 0.451 127 V N 2.205 121.995 119.914 -0.206 0.000 2.407 127 V HA -0.229 3.903 4.120 0.019 0.000 0.248 127 V C 2.417 178.506 176.094 -0.008 0.000 1.055 127 V CA 1.543 63.780 62.300 -0.106 0.000 1.049 127 V CB -0.452 31.290 31.823 -0.136 0.000 0.662 127 V HN 0.282 nan 8.190 nan 0.000 0.455 128 L N 0.444 121.688 121.223 0.035 0.000 1.955 128 L HA -0.130 4.222 4.340 0.019 0.000 0.213 128 L C 0.463 177.400 176.870 0.110 0.000 1.072 128 L CA 2.351 57.236 54.840 0.075 0.000 0.755 128 L CB -2.183 39.949 42.059 0.122 0.000 0.888 128 L HN 0.374 nan 8.230 nan 0.000 0.432 129 P HA -0.097 nan 4.420 nan 0.000 0.216 129 P C 1.952 179.474 177.300 0.370 0.000 1.153 129 P CA 1.269 64.556 63.100 0.311 0.000 0.848 129 P CB -0.002 31.864 31.700 0.277 0.000 0.787 130 V N 0.875 120.903 119.914 0.190 0.000 2.295 130 V HA -0.214 3.917 4.120 0.019 0.000 0.246 130 V C 2.783 178.954 176.094 0.129 0.000 1.049 130 V CA 2.236 64.619 62.300 0.138 0.000 1.024 130 V CB -1.190 30.659 31.823 0.043 0.000 0.648 130 V HN 0.087 nan 8.190 nan 0.000 0.447 131 K N -0.238 120.219 120.400 0.095 0.000 2.147 131 K HA -0.158 4.174 4.320 0.019 0.000 0.205 131 K C 1.872 178.562 176.600 0.150 0.000 1.049 131 K CA 1.575 57.902 56.287 0.067 0.000 0.936 131 K CB -0.471 32.036 32.500 0.010 0.000 0.722 131 K HN 0.433 nan 8.250 nan 0.000 0.446 132 F N -0.710 119.256 119.950 0.026 0.000 2.074 132 F HA -0.064 4.474 4.527 0.018 0.000 0.293 132 F C 1.428 177.256 175.800 0.048 0.000 1.116 132 F CA 1.421 59.428 58.000 0.013 0.000 1.212 132 F CB -0.117 38.747 39.000 -0.226 0.000 0.998 132 F HN -0.030 nan 8.300 nan 0.000 0.471 133 F N 0.430 120.537 119.950 0.263 0.000 2.367 133 F HA 0.117 4.654 4.527 0.017 0.000 0.298 133 F C 2.549 178.444 175.800 0.157 0.000 1.094 133 F CA 1.038 59.152 58.000 0.190 0.000 1.409 133 F CB -1.295 37.912 39.000 0.346 0.000 1.064 133 F HN 0.052 nan 8.300 nan 0.000 0.528 134 G N -0.184 108.755 108.800 0.232 0.000 2.402 134 G HA2 -0.125 3.847 3.960 0.019 0.000 0.216 134 G HA3 -0.125 3.847 3.960 0.019 0.000 0.216 134 G C 2.052 177.020 174.900 0.115 0.000 1.162 134 G CA 0.784 45.941 45.100 0.095 0.000 0.777 134 G HN 0.471 nan 8.290 nan 0.000 0.539 135 G N 0.571 109.467 108.800 0.159 0.000 2.422 135 G HA2 -0.070 3.902 3.960 0.019 0.000 0.218 135 G HA3 -0.070 3.902 3.960 0.019 0.000 0.218 135 G C 1.699 176.678 174.900 0.133 0.000 1.140 135 G CA 0.663 45.905 45.100 0.237 0.000 0.775 135 G HN 0.311 nan 8.290 nan 0.000 0.545 136 L N 1.586 122.796 121.223 -0.021 0.000 2.042 136 L HA 0.070 4.421 4.340 0.019 0.000 0.210 136 L C 2.902 179.779 176.870 0.012 0.000 1.076 136 L CA 1.840 56.540 54.840 -0.233 0.000 0.749 136 L CB -0.987 40.908 42.059 -0.273 0.000 0.893 136 L HN 0.223 nan 8.230 nan 0.000 0.432 137 G N -1.599 107.315 108.800 0.191 0.000 2.552 137 G HA2 -0.335 3.637 3.960 0.019 0.000 0.216 137 G HA3 -0.335 3.637 3.960 0.019 0.000 0.216 137 G C 1.559 176.553 174.900 0.157 0.000 1.240 137 G CA 1.832 47.084 45.100 0.254 0.000 0.796 137 G HN 0.462 nan 8.290 nan 0.000 0.568 138 T N 0.055 114.695 114.554 0.144 0.000 2.635 138 T HA -0.123 4.239 4.350 0.019 0.000 0.267 138 T C 2.365 177.130 174.700 0.108 0.000 1.040 138 T CA 1.615 63.792 62.100 0.128 0.000 1.156 138 T CB -0.428 68.494 68.868 0.089 0.000 0.863 138 T HN 0.014 nan 8.240 nan 0.000 0.430 139 L N 1.566 122.845 121.223 0.094 0.000 2.291 139 L HA 0.324 4.676 4.340 0.019 0.000 0.214 139 L C 2.913 179.800 176.870 0.028 0.000 1.120 139 L CA 1.346 56.235 54.840 0.081 0.000 0.799 139 L CB -0.848 41.277 42.059 0.111 0.000 0.925 139 L HN 0.532 nan 8.230 nan 0.000 0.446 140 G N -1.180 107.620 108.800 -0.000 0.000 2.484 140 G HA2 -0.129 3.842 3.960 0.019 0.000 0.218 140 G HA3 -0.129 3.842 3.960 0.019 0.000 0.218 140 G C 1.561 176.475 174.900 0.023 0.000 1.130 140 G CA 0.550 45.648 45.100 -0.002 0.000 0.784 140 G HN 0.479 nan 8.290 nan 0.000 0.543 141 G N -0.330 108.498 108.800 0.046 0.000 2.813 141 G HA2 0.351 4.323 3.960 0.019 0.000 0.209 141 G HA3 0.351 4.323 3.960 0.019 0.000 0.209 141 G C 1.256 176.181 174.900 0.042 0.000 1.150 141 G CA 0.484 45.609 45.100 0.040 0.000 0.785 141 G HN 1.339 nan 8.290 nan 0.000 0.535 142 G N -0.129 108.705 108.800 0.056 0.000 2.147 142 G HA2 -0.300 3.672 3.960 0.019 0.000 0.244 142 G HA3 -0.300 3.672 3.960 0.019 0.000 0.244 142 G C 0.480 175.426 174.900 0.076 0.000 1.005 142 G CA 0.310 45.450 45.100 0.067 0.000 0.713 142 G HN 0.435 nan 8.290 nan 0.000 0.515 143 M N -0.137 119.517 119.600 0.089 0.000 2.250 143 M HA 0.249 4.741 4.480 0.019 0.000 0.325 143 M C 1.131 177.498 176.300 0.112 0.000 1.084 143 M CA 0.108 55.472 55.300 0.108 0.000 1.161 143 M CB 0.856 33.539 32.600 0.139 0.000 1.481 143 M HN -0.063 nan 8.290 nan 0.000 0.449 144 V N 4.965 124.947 119.914 0.114 0.000 2.055 144 V HA 0.200 4.332 4.120 0.019 0.000 0.248 144 V C -0.153 176.021 176.094 0.134 0.000 1.476 144 V CA 0.236 62.597 62.300 0.101 0.000 1.417 144 V CB -1.638 30.233 31.823 0.080 0.000 1.465 144 V HN 0.545 nan 8.190 nan 0.000 0.502 145 L N 2.058 123.367 121.223 0.144 0.000 2.455 145 L HA 0.748 5.100 4.340 0.019 0.000 0.264 145 L C 0.645 177.620 176.870 0.175 0.000 0.968 145 L CA -0.550 54.399 54.840 0.181 0.000 0.827 145 L CB 2.041 44.224 42.059 0.205 0.000 1.317 145 L HN 0.471 nan 8.230 nan 0.000 0.407 146 G N 0.695 109.606 108.800 0.186 0.000 2.537 146 G HA2 0.375 4.346 3.960 0.019 0.000 0.273 146 G HA3 0.375 4.346 3.960 0.019 0.000 0.273 146 G C 0.394 175.405 174.900 0.185 0.000 1.189 146 G CA -0.467 44.758 45.100 0.208 0.000 0.881 146 G HN 0.744 nan 8.290 nan 0.000 0.535 147 R N -0.255 120.338 120.500 0.155 0.000 2.299 147 R HA 0.038 4.389 4.340 0.019 0.000 0.197 147 R C 1.926 178.142 176.300 -0.140 0.000 0.971 147 R CA 0.587 56.713 56.100 0.044 0.000 1.030 147 R CB 0.203 30.557 30.300 0.090 0.000 0.932 147 R HN 0.571 nan 8.270 nan 0.000 0.477 148 E N 0.593 120.734 120.200 -0.098 0.000 2.023 148 E HA -0.141 4.221 4.350 0.019 0.000 0.196 148 E C 2.118 178.638 176.600 -0.133 0.000 1.003 148 E CA 1.541 57.841 56.400 -0.166 0.000 0.809 148 E CB -0.857 28.785 29.700 -0.097 0.000 0.755 148 E HN 0.364 nan 8.360 nan 0.000 0.449 149 G N 1.733 110.520 108.800 -0.021 0.000 2.553 149 G HA2 -0.256 3.715 3.960 0.019 0.000 0.218 149 G HA3 -0.256 3.715 3.960 0.019 0.000 0.218 149 G C -0.796 174.047 174.900 -0.095 0.000 1.195 149 G CA 1.300 46.396 45.100 -0.006 0.000 0.779 149 G HN 0.293 nan 8.290 nan 0.000 0.577 150 P HA -0.120 nan 4.420 nan 0.000 0.214 150 P C 2.379 179.479 177.300 -0.334 0.000 1.163 150 P CA 2.726 65.640 63.100 -0.310 0.000 0.889 150 P CB -0.455 30.871 31.700 -0.624 0.000 0.790 151 T N -3.777 110.566 114.554 -0.352 0.000 2.985 151 T HA -0.027 4.335 4.350 0.019 0.000 0.266 151 T C 1.835 176.429 174.700 -0.176 0.000 1.076 151 T CA 0.777 62.712 62.100 -0.275 0.000 1.135 151 T CB -1.318 67.393 68.868 -0.260 0.000 0.890 151 T HN -0.142 nan 8.240 nan 0.000 0.480 152 V N 1.683 121.502 119.914 -0.159 0.000 2.283 152 V HA -0.144 3.988 4.120 0.019 0.000 0.243 152 V C 2.959 178.999 176.094 -0.091 0.000 1.039 152 V CA 2.027 64.263 62.300 -0.107 0.000 1.016 152 V CB -0.773 30.997 31.823 -0.088 0.000 0.650 152 V HN 0.505 nan 8.190 nan 0.000 0.449 153 Q N -0.357 119.385 119.800 -0.097 0.000 2.084 153 Q HA -0.203 4.149 4.340 0.019 0.000 0.202 153 Q C 2.225 178.181 176.000 -0.073 0.000 0.978 153 Q CA 2.042 57.797 55.803 -0.080 0.000 0.844 153 Q CB -0.196 28.497 28.738 -0.075 0.000 0.898 153 Q HN 0.633 nan 8.270 nan 0.000 0.426 154 I N 0.223 120.738 120.570 -0.091 0.000 2.208 154 I HA -0.233 3.949 4.170 0.019 0.000 0.245 154 I C 2.261 178.336 176.117 -0.069 0.000 1.097 154 I CA 1.108 62.365 61.300 -0.072 0.000 1.363 154 I CB -0.607 37.344 38.000 -0.081 0.000 1.051 154 I HN 0.393 nan 8.210 nan 0.000 0.413 155 G N 0.461 109.213 108.800 -0.080 0.000 2.453 155 G HA2 -0.207 3.765 3.960 0.019 0.000 0.215 155 G HA3 -0.207 3.765 3.960 0.019 0.000 0.215 155 G C 1.724 176.590 174.900 -0.057 0.000 1.201 155 G CA 0.827 45.886 45.100 -0.068 0.000 0.784 155 G HN 0.480 nan 8.290 nan 0.000 0.545 156 G N 0.521 109.289 108.800 -0.052 0.000 2.469 156 G HA2 -0.269 3.703 3.960 0.019 0.000 0.219 156 G HA3 -0.269 3.703 3.960 0.019 0.000 0.219 156 G C 1.708 176.590 174.900 -0.029 0.000 1.150 156 G CA 1.056 46.132 45.100 -0.041 0.000 0.763 156 G HN 0.476 nan 8.290 nan 0.000 0.561 157 N N 0.124 118.810 118.700 -0.024 0.000 2.244 157 N HA -0.014 4.738 4.740 0.019 0.000 0.183 157 N C 2.231 177.714 175.510 -0.046 0.000 1.016 157 N CA 0.692 53.750 53.050 0.013 0.000 0.866 157 N CB -0.050 38.457 38.487 0.033 0.000 0.980 157 N HN 0.326 nan 8.380 nan 0.000 0.430 158 I N 0.766 121.286 120.570 -0.084 0.000 2.315 158 I HA -0.131 4.051 4.170 0.019 0.000 0.248 158 I C 2.527 178.552 176.117 -0.154 0.000 1.117 158 I CA 0.681 61.891 61.300 -0.150 0.000 1.404 158 I CB -0.521 37.410 38.000 -0.114 0.000 1.071 158 I HN 0.115 nan 8.210 nan 0.000 0.419 159 G N 1.050 109.795 108.800 -0.092 0.000 2.514 159 G HA2 -0.358 3.614 3.960 0.019 0.000 0.217 159 G HA3 -0.358 3.614 3.960 0.019 0.000 0.217 159 G C 1.692 176.548 174.900 -0.072 0.000 1.198 159 G CA 1.123 46.184 45.100 -0.066 0.000 0.780 159 G HN 0.223 nan 8.290 nan 0.000 0.565 160 R N -0.035 120.436 120.500 -0.049 0.000 2.127 160 R HA 0.055 4.406 4.340 0.019 0.000 0.238 160 R C 2.453 178.662 176.300 -0.151 0.000 1.134 160 R CA 1.786 57.886 56.100 -0.000 0.000 0.975 160 R CB -0.503 29.877 30.300 0.134 0.000 0.865 160 R HN 0.459 nan 8.270 nan 0.000 0.447 161 M N -0.398 118.917 119.600 -0.476 0.000 2.099 161 M HA -0.111 4.381 4.480 0.019 0.000 0.262 161 M C 1.939 177.964 176.300 -0.459 0.000 1.067 161 M CA 1.929 56.637 55.300 -0.987 0.000 1.124 161 M CB -0.005 31.882 32.600 -1.188 0.000 1.353 161 M HN 0.180 nan 8.290 nan 0.000 0.410 162 V N -0.507 119.272 119.914 -0.224 0.000 2.667 162 V HA -0.156 3.976 4.120 0.019 0.000 0.252 162 V C 2.040 178.189 176.094 0.092 0.000 1.065 162 V CA 1.414 63.705 62.300 -0.014 0.000 1.083 162 V CB -0.969 30.860 31.823 0.011 0.000 0.692 162 V HN 0.573 nan 8.190 nan 0.000 0.468 163 L N 1.440 122.674 121.223 0.018 0.000 2.042 163 L HA -0.126 4.226 4.340 0.019 0.000 0.210 163 L C 2.091 179.027 176.870 0.111 0.000 1.076 163 L CA 2.637 57.516 54.840 0.064 0.000 0.749 163 L CB -0.900 41.185 42.059 0.043 0.000 0.893 163 L HN 0.323 nan 8.230 nan 0.000 0.432 164 D N -0.694 119.767 120.400 0.102 0.000 2.234 164 D HA -0.057 4.594 4.640 0.019 0.000 0.205 164 D C 2.312 178.682 176.300 0.117 0.000 0.962 164 D CA 1.219 55.318 54.000 0.165 0.000 0.855 164 D CB 0.004 41.017 40.800 0.356 0.000 0.951 164 D HN 0.431 nan 8.370 nan 0.000 0.500 165 I N -0.460 120.147 120.570 0.062 0.000 2.286 165 I HA -0.174 4.008 4.170 0.019 0.000 0.245 165 I C 1.213 177.260 176.117 -0.117 0.000 1.104 165 I CA 0.739 62.018 61.300 -0.035 0.000 1.397 165 I CB -0.015 37.924 38.000 -0.101 0.000 1.072 165 I HN -0.118 nan 8.210 nan 0.000 0.417 166 F N 1.033 120.978 119.950 -0.009 0.000 2.731 166 F HA 0.148 4.686 4.527 0.019 0.000 0.304 166 F C 0.670 176.473 175.800 0.005 0.000 1.133 166 F CA -0.118 57.881 58.000 -0.002 0.000 1.380 166 F CB -0.033 38.965 39.000 -0.003 0.000 1.079 166 F HN -0.098 nan 8.300 nan 0.000 0.550 167 R N 0.707 121.279 120.500 0.120 0.000 3.484 167 R HA -0.206 4.146 4.340 0.019 0.000 0.260 167 R C -0.275 176.078 176.300 0.089 0.000 1.053 167 R CA 0.263 56.413 56.100 0.084 0.000 0.703 167 R CB -2.587 27.739 30.300 0.044 0.000 1.089 167 R HN 0.395 nan 8.270 nan 0.000 0.459 168 L N 0.828 122.116 121.223 0.109 0.000 2.464 168 L HA 0.111 4.463 4.340 0.019 0.000 0.264 168 L C 1.062 177.956 176.870 0.041 0.000 1.199 168 L CA 0.307 55.191 54.840 0.074 0.000 0.818 168 L CB 0.399 42.496 42.059 0.063 0.000 1.102 168 L HN -0.140 nan 8.230 nan 0.000 0.473 169 K N 1.730 122.143 120.400 0.020 0.000 2.221 169 K HA 0.648 4.979 4.320 0.019 0.000 0.258 169 K C -0.069 176.523 176.600 -0.013 0.000 0.944 169 K CA -0.221 56.069 56.287 0.005 0.000 0.823 169 K CB 1.645 34.148 32.500 0.005 0.000 1.113 169 K HN 0.783 nan 8.250 nan 0.000 0.431 170 G N 2.583 111.368 108.800 -0.025 0.000 2.733 170 G HA2 -0.213 3.759 3.960 0.019 0.000 0.686 170 G HA3 -0.213 3.759 3.960 0.019 0.000 0.686 170 G C 0.192 175.037 174.900 -0.091 0.000 1.373 170 G CA -0.357 44.715 45.100 -0.047 0.000 0.838 170 G HN 0.540 nan 8.290 nan 0.000 0.588 171 D N 0.072 120.392 120.400 -0.133 0.000 2.149 171 D HA -0.104 4.547 4.640 0.019 0.000 0.194 171 D C 2.040 178.191 176.300 -0.247 0.000 1.001 171 D CA 1.846 55.676 54.000 -0.283 0.000 0.849 171 D CB -0.070 40.588 40.800 -0.237 0.000 0.939 171 D HN 0.754 nan 8.370 nan 0.000 0.449 172 E N 0.209 120.354 120.200 -0.092 0.000 2.051 172 E HA -0.175 4.187 4.350 0.019 0.000 0.192 172 E C 2.011 178.601 176.600 -0.017 0.000 0.991 172 E CA 1.333 57.721 56.400 -0.021 0.000 0.799 172 E CB -0.104 29.599 29.700 0.006 0.000 0.748 172 E HN 0.214 nan 8.360 nan 0.000 0.449 173 A N 1.150 123.952 122.820 -0.031 0.000 1.883 173 A HA -0.234 4.098 4.320 0.019 0.000 0.217 173 A C 2.212 179.785 177.584 -0.018 0.000 1.186 173 A CA 1.805 53.831 52.037 -0.018 0.000 0.624 173 A CB -0.640 18.351 19.000 -0.016 0.000 0.822 173 A HN 0.263 nan 8.150 nan 0.000 0.444 174 R N -1.160 119.304 120.500 -0.060 0.000 2.073 174 R HA -0.174 4.178 4.340 0.019 0.000 0.234 174 R C 2.058 178.373 176.300 0.026 0.000 1.134 174 R CA 1.991 58.061 56.100 -0.050 0.000 0.952 174 R CB -0.461 29.763 30.300 -0.127 0.000 0.850 174 R HN 0.786 nan 8.270 nan 0.000 0.433 175 H N -1.464 117.599 119.070 -0.012 0.000 2.428 175 H HA -0.000 4.567 4.556 0.019 0.000 0.296 175 H C 1.854 177.153 175.328 -0.049 0.000 1.062 175 H CA 1.315 57.341 56.048 -0.036 0.000 1.350 175 H CB 0.316 30.054 29.762 -0.039 0.000 1.403 175 H HN 0.237 nan 8.280 nan 0.000 0.533 176 T N 0.882 115.492 114.554 0.093 0.000 2.732 176 T HA -0.066 4.296 4.350 0.019 0.000 0.261 176 T C 2.126 176.841 174.700 0.026 0.000 1.040 176 T CA 0.700 62.829 62.100 0.048 0.000 1.145 176 T CB -0.171 68.729 68.868 0.054 0.000 0.866 176 T HN 0.192 nan 8.240 nan 0.000 0.427 177 L N 0.567 121.802 121.223 0.021 0.000 2.141 177 L HA -0.027 4.324 4.340 0.019 0.000 0.209 177 L C 2.426 179.294 176.870 -0.003 0.000 1.094 177 L CA 0.689 55.532 54.840 0.004 0.000 0.763 177 L CB -0.491 41.564 42.059 -0.007 0.000 0.908 177 L HN 0.233 nan 8.230 nan 0.000 0.437 178 L N 0.166 121.395 121.223 0.010 0.000 2.056 178 L HA -0.109 4.243 4.340 0.019 0.000 0.207 178 L C 2.543 179.395 176.870 -0.032 0.000 1.078 178 L CA 1.962 56.801 54.840 -0.000 0.000 0.749 178 L CB -0.509 41.569 42.059 0.032 0.000 0.901 178 L HN 0.121 nan 8.230 nan 0.000 0.433 179 A N -2.247 120.544 122.820 -0.048 0.000 2.021 179 A HA -0.060 4.272 4.320 0.019 0.000 0.216 179 A C 2.189 179.738 177.584 -0.057 0.000 1.163 179 A CA 1.523 53.503 52.037 -0.096 0.000 0.676 179 A CB -0.846 18.047 19.000 -0.177 0.000 0.818 179 A HN 0.446 nan 8.150 nan 0.000 0.453 180 T N 0.040 114.580 114.554 -0.022 0.000 2.674 180 T HA -0.076 4.285 4.350 0.019 0.000 0.265 180 T C 2.033 176.727 174.700 -0.010 0.000 1.039 180 T CA 1.620 63.722 62.100 0.003 0.000 1.150 180 T CB -0.701 68.178 68.868 0.019 0.000 0.864 180 T HN 0.561 nan 8.240 nan 0.000 0.427 181 G N 1.115 109.901 108.800 -0.023 0.000 2.469 181 G HA2 -0.137 3.834 3.960 0.019 0.000 0.219 181 G HA3 -0.137 3.834 3.960 0.019 0.000 0.219 181 G C 1.796 176.675 174.900 -0.035 0.000 1.150 181 G CA 1.127 46.207 45.100 -0.034 0.000 0.763 181 G HN 0.598 nan 8.290 nan 0.000 0.561 182 A N 1.125 123.925 122.820 -0.034 0.000 1.855 182 A HA 0.320 4.651 4.320 0.019 0.000 0.215 182 A C 2.864 180.453 177.584 0.008 0.000 1.191 182 A CA 2.320 54.344 52.037 -0.023 0.000 0.613 182 A CB -0.935 18.044 19.000 -0.034 0.000 0.829 182 A HN 0.851 nan 8.150 nan 0.000 0.442 183 A N -0.130 122.698 122.820 0.014 0.000 1.908 183 A HA 0.127 4.459 4.320 0.019 0.000 0.218 183 A C 2.501 180.091 177.584 0.011 0.000 1.181 183 A CA 2.272 54.333 52.037 0.041 0.000 0.627 183 A CB -1.036 17.986 19.000 0.037 0.000 0.818 183 A HN 1.086 nan 8.150 nan 0.000 0.445 184 A N -0.574 122.243 122.820 -0.005 0.000 1.930 184 A HA 0.175 4.506 4.320 0.019 0.000 0.217 184 A C 2.396 179.962 177.584 -0.030 0.000 1.175 184 A CA 1.806 53.834 52.037 -0.014 0.000 0.627 184 A CB -1.350 17.644 19.000 -0.010 0.000 0.815 184 A HN 0.719 nan 8.150 nan 0.000 0.443 185 G N -0.001 108.772 108.800 -0.045 0.000 2.459 185 G HA2 -0.232 3.739 3.960 0.019 0.000 0.217 185 G HA3 -0.232 3.739 3.960 0.019 0.000 0.217 185 G C 1.580 176.414 174.900 -0.110 0.000 1.183 185 G CA 1.188 46.240 45.100 -0.080 0.000 0.776 185 G HN 0.526 nan 8.290 nan 0.000 0.552 186 L N 0.711 121.875 121.223 -0.098 0.000 2.141 186 L HA 0.189 4.541 4.340 0.019 0.000 0.209 186 L C 3.134 179.975 176.870 -0.050 0.000 1.094 186 L CA 1.690 56.453 54.840 -0.129 0.000 0.763 186 L CB -0.245 41.707 42.059 -0.179 0.000 0.908 186 L HN 0.247 nan 8.230 nan 0.000 0.437 187 A N -0.191 122.609 122.820 -0.034 0.000 1.902 187 A HA -0.170 4.162 4.320 0.019 0.000 0.217 187 A C 2.424 179.974 177.584 -0.057 0.000 1.181 187 A CA 1.746 53.767 52.037 -0.027 0.000 0.623 187 A CB -1.035 17.945 19.000 -0.034 0.000 0.818 187 A HN 0.554 nan 8.150 nan 0.000 0.443 188 A N -0.348 122.442 122.820 -0.051 0.000 1.929 188 A HA 0.255 4.586 4.320 0.019 0.000 0.216 188 A C 2.472 180.040 177.584 -0.027 0.000 1.176 188 A CA 1.765 53.800 52.037 -0.002 0.000 0.628 188 A CB -0.931 18.087 19.000 0.030 0.000 0.816 188 A HN 1.036 nan 8.150 nan 0.000 0.444 189 A N -1.098 121.606 122.820 -0.193 0.000 1.908 189 A HA -0.024 4.308 4.320 0.019 0.000 0.218 189 A C 1.487 178.755 177.584 -0.528 0.000 1.181 189 A CA 1.477 53.246 52.037 -0.447 0.000 0.627 189 A CB -0.572 17.944 19.000 -0.807 0.000 0.818 189 A HN 0.554 nan 8.150 nan 0.000 0.445 190 F N -1.673 118.227 119.950 -0.083 0.000 2.735 190 F HA 0.241 4.781 4.527 0.020 0.000 0.304 190 F C 0.805 176.435 175.800 -0.284 0.000 1.119 190 F CA -0.112 57.810 58.000 -0.130 0.000 1.280 190 F CB 0.002 38.964 39.000 -0.064 0.000 0.994 190 F HN 0.257 nan 8.300 nan 0.000 0.520 191 N N 2.165 120.607 118.700 -0.430 0.000 2.693 191 N HA -0.267 4.485 4.740 0.019 0.000 0.250 191 N C -0.416 174.946 175.510 -0.247 0.000 1.033 191 N CA 0.769 53.425 53.050 -0.658 0.000 0.747 191 N CB -0.584 37.248 38.487 -1.091 0.000 0.964 191 N HN 0.360 nan 8.380 nan 0.000 0.540 192 A N -0.339 122.420 122.820 -0.102 0.000 2.978 192 A HA 0.472 4.804 4.320 0.019 0.000 0.341 192 A C -1.115 176.447 177.584 -0.037 0.000 1.105 192 A CA -0.898 51.116 52.037 -0.038 0.000 0.819 192 A CB 0.969 19.976 19.000 0.011 0.000 1.080 192 A HN 0.205 nan 8.150 nan 0.000 0.476 193 P HA -0.229 nan 4.420 nan 0.000 0.215 193 P C 1.581 178.817 177.300 -0.106 0.000 1.157 193 P CA 1.124 64.174 63.100 -0.083 0.000 0.874 193 P CB 0.125 31.772 31.700 -0.087 0.000 0.790 194 L N -0.845 120.329 121.223 -0.082 0.000 2.083 194 L HA -0.158 4.194 4.340 0.019 0.000 0.209 194 L C 2.799 179.656 176.870 -0.023 0.000 1.083 194 L CA 1.554 56.346 54.840 -0.078 0.000 0.752 194 L CB -1.263 40.780 42.059 -0.025 0.000 0.899 194 L HN -0.046 nan 8.230 nan 0.000 0.433 195 A N 0.565 123.387 122.820 0.002 0.000 1.883 195 A HA -0.172 4.160 4.320 0.019 0.000 0.217 195 A C 2.427 180.062 177.584 0.085 0.000 1.186 195 A CA 1.901 53.962 52.037 0.040 0.000 0.624 195 A CB -1.378 17.626 19.000 0.006 0.000 0.822 195 A HN 0.443 nan 8.150 nan 0.000 0.444 196 G N 0.114 108.940 108.800 0.042 0.000 2.491 196 G HA2 -0.268 3.704 3.960 0.019 0.000 0.218 196 G HA3 -0.268 3.704 3.960 0.019 0.000 0.218 196 G C 1.524 176.491 174.900 0.112 0.000 1.180 196 G CA 1.337 46.475 45.100 0.065 0.000 0.774 196 G HN 0.489 nan 8.290 nan 0.000 0.562 197 I N 0.237 120.833 120.570 0.043 0.000 2.076 197 I HA -0.164 4.018 4.170 0.019 0.000 0.237 197 I C 2.733 179.057 176.117 0.344 0.000 1.059 197 I CA 0.682 62.059 61.300 0.128 0.000 1.317 197 I CB -0.380 37.540 38.000 -0.133 0.000 1.037 197 I HN 0.053 nan 8.210 nan 0.000 0.398 198 L N -0.070 121.294 121.223 0.236 0.000 2.034 198 L HA -0.308 4.044 4.340 0.019 0.000 0.217 198 L C 2.630 179.694 176.870 0.324 0.000 1.077 198 L CA 2.214 57.220 54.840 0.277 0.000 0.769 198 L CB -1.199 40.963 42.059 0.172 0.000 0.890 198 L HN 0.288 nan 8.230 nan 0.000 0.435 199 F N 0.431 120.456 119.950 0.125 0.000 2.202 199 F HA -0.259 4.280 4.527 0.020 0.000 0.301 199 F C 2.352 178.178 175.800 0.043 0.000 1.082 199 F CA 1.101 59.154 58.000 0.088 0.000 1.313 199 F CB -0.106 38.919 39.000 0.042 0.000 1.024 199 F HN -0.008 nan 8.300 nan 0.000 0.495 200 I N -1.030 119.498 120.570 -0.071 0.000 2.202 200 I HA -0.277 3.905 4.170 0.019 0.000 0.242 200 I C 2.015 177.885 176.117 -0.412 0.000 1.091 200 I CA 1.394 62.474 61.300 -0.367 0.000 1.368 200 I CB -1.849 35.856 38.000 -0.491 0.000 1.058 200 I HN 0.239 nan 8.210 nan 0.000 0.410 201 W N 0.917 122.184 121.300 -0.055 0.000 2.658 201 W HA -0.007 4.664 4.660 0.019 0.000 0.263 201 W C 2.504 179.002 176.519 -0.034 0.000 1.274 201 W CA 0.436 57.765 57.345 -0.027 0.000 1.343 201 W CB -0.389 29.079 29.460 0.014 0.000 1.106 201 W HN 0.214 nan 8.180 nan 0.000 0.615 202 E N 0.291 120.573 120.200 0.136 0.000 2.166 202 E HA -0.143 4.218 4.350 0.019 0.000 0.192 202 E C 1.784 178.373 176.600 -0.019 0.000 0.967 202 E CA 1.293 57.741 56.400 0.080 0.000 0.840 202 E CB 0.322 30.096 29.700 0.124 0.000 0.795 202 E HN 0.144 nan 8.360 nan 0.000 0.470 203 E N -0.698 119.400 120.200 -0.171 0.000 2.378 203 E HA 0.061 4.423 4.350 0.019 0.000 0.200 203 E C 1.876 178.294 176.600 -0.303 0.000 0.882 203 E CA 0.484 56.745 56.400 -0.231 0.000 1.061 203 E CB -0.050 29.473 29.700 -0.295 0.000 1.049 203 E HN 0.074 nan 8.360 nan 0.000 0.494 204 M N 1.484 120.786 119.600 -0.496 0.000 2.132 204 M HA 0.024 4.516 4.480 0.019 0.000 0.263 204 M C 0.892 177.016 176.300 -0.292 0.000 1.065 204 M CA 0.916 55.970 55.300 -0.411 0.000 1.122 204 M CB -1.052 31.263 32.600 -0.475 0.000 1.365 204 M HN 0.038 nan 8.290 nan 0.000 0.411 205 R N 2.193 122.512 120.500 -0.302 0.000 2.539 205 R HA 0.359 4.711 4.340 0.019 0.000 0.275 205 R C -2.581 173.616 176.300 -0.172 0.000 1.077 205 R CA -1.208 54.736 56.100 -0.260 0.000 1.097 205 R CB -0.615 29.505 30.300 -0.299 0.000 1.018 205 R HN 0.016 nan 8.270 nan 0.000 0.483 206 P HA 0.196 nan 4.420 nan 0.000 0.283 206 P C -1.381 175.837 177.300 -0.137 0.000 1.271 206 P CA -0.699 62.323 63.100 -0.130 0.000 0.841 206 P CB 1.391 33.010 31.700 -0.135 0.000 1.122 207 Q N -0.102 119.613 119.800 -0.142 0.000 2.399 207 Q HA 0.452 4.804 4.340 0.019 0.000 0.276 207 Q C -0.610 175.213 176.000 -0.295 0.000 1.098 207 Q CA -0.636 55.025 55.803 -0.238 0.000 0.827 207 Q CB 1.130 29.825 28.738 -0.071 0.000 1.386 207 Q HN 0.336 nan 8.270 nan 0.000 0.443 208 F N 0.203 119.560 119.950 -0.989 0.000 2.825 208 F HA -0.280 4.259 4.527 0.019 0.000 0.358 208 F C -0.271 175.218 175.800 -0.518 0.000 0.639 208 F CA 1.449 59.017 58.000 -0.719 0.000 1.153 208 F CB -0.227 38.625 39.000 -0.246 0.000 1.610 208 F HN 0.615 nan 8.300 nan 0.000 0.305 209 R N 0.068 120.281 120.500 -0.478 0.000 2.782 209 R HA 0.223 4.575 4.340 0.019 0.000 0.293 209 R C -0.498 175.690 176.300 -0.185 0.000 1.333 209 R CA -0.471 55.471 56.100 -0.264 0.000 1.479 209 R CB 0.104 30.315 30.300 -0.149 0.000 1.306 209 R HN 0.157 nan 8.270 nan 0.000 0.654 210 Y N 1.022 121.316 120.300 -0.009 0.000 2.709 210 Y HA -0.054 4.507 4.550 0.019 0.000 0.348 210 Y C 1.729 177.633 175.900 0.006 0.000 1.267 210 Y CA 0.699 58.804 58.100 0.008 0.000 1.486 210 Y CB 0.384 38.863 38.460 0.032 0.000 1.356 210 Y HN 0.241 nan 8.280 nan 0.000 0.639 211 T N -1.209 113.449 114.554 0.173 0.000 2.804 211 T HA 0.773 5.135 4.350 0.019 0.000 0.290 211 T C -1.318 173.471 174.700 0.149 0.000 1.099 211 T CA -1.209 60.956 62.100 0.110 0.000 1.011 211 T CB 1.268 70.022 68.868 -0.189 0.000 1.291 211 T HN 0.361 nan 8.240 nan 0.000 0.523 212 L N 0.980 122.327 121.223 0.207 0.000 2.401 212 L HA 0.604 4.955 4.340 0.019 0.000 0.263 212 L C -0.905 176.041 176.870 0.127 0.000 1.004 212 L CA -0.441 54.493 54.840 0.156 0.000 0.881 212 L CB 0.786 42.926 42.059 0.135 0.000 1.219 212 L HN 0.552 nan 8.230 nan 0.000 0.441 213 I N 1.128 121.754 120.570 0.093 0.000 2.418 213 I HA 0.293 4.474 4.170 0.019 0.000 0.287 213 I C 0.278 176.528 176.117 0.221 0.000 1.008 213 I CA -0.424 60.906 61.300 0.051 0.000 1.104 213 I CB 2.202 40.052 38.000 -0.249 0.000 1.264 213 I HN 0.464 nan 8.210 nan 0.000 0.438 214 S N 5.863 121.676 115.700 0.188 0.000 2.455 214 S HA 0.292 4.774 4.470 0.019 0.000 0.278 214 S C 1.278 176.074 174.600 0.327 0.000 1.216 214 S CA -0.471 57.861 58.200 0.220 0.000 1.055 214 S CB 0.206 63.487 63.200 0.135 0.000 0.939 214 S HN 0.489 nan 8.310 nan 0.000 0.494 215 I N 5.410 126.211 120.570 0.386 0.000 2.163 215 I HA -0.205 3.976 4.170 0.019 0.000 0.243 215 I C 2.471 178.788 176.117 0.334 0.000 1.085 215 I CA 1.244 62.793 61.300 0.415 0.000 1.347 215 I CB -0.386 37.680 38.000 0.110 0.000 1.044 215 I HN 0.592 nan 8.210 nan 0.000 0.408 216 K N 1.283 121.781 120.400 0.163 0.000 2.044 216 K HA -0.198 4.134 4.320 0.019 0.000 0.210 216 K C 2.383 179.098 176.600 0.192 0.000 1.049 216 K CA 1.743 58.097 56.287 0.112 0.000 0.927 216 K CB -0.426 32.099 32.500 0.041 0.000 0.713 216 K HN 0.402 nan 8.250 nan 0.000 0.443 217 A N 1.163 124.087 122.820 0.173 0.000 1.865 217 A HA -0.151 4.180 4.320 0.019 0.000 0.217 217 A C 2.436 180.122 177.584 0.171 0.000 1.191 217 A CA 1.695 53.820 52.037 0.147 0.000 0.623 217 A CB -0.882 18.185 19.000 0.111 0.000 0.826 217 A HN 0.077 nan 8.150 nan 0.000 0.444 218 V N -1.156 118.890 119.914 0.219 0.000 2.252 218 V HA -0.316 3.816 4.120 0.019 0.000 0.249 218 V C 2.307 178.516 176.094 0.191 0.000 1.056 218 V CA 2.438 64.861 62.300 0.205 0.000 1.022 218 V CB -1.065 30.938 31.823 0.300 0.000 0.641 218 V HN 0.546 nan 8.190 nan 0.000 0.445 219 F N -0.237 119.781 119.950 0.114 0.000 2.063 219 F HA -0.259 4.279 4.527 0.020 0.000 0.298 219 F C 2.181 178.010 175.800 0.048 0.000 1.109 219 F CA 2.253 60.296 58.000 0.072 0.000 1.212 219 F CB -0.478 38.552 39.000 0.050 0.000 0.973 219 F HN 0.057 nan 8.300 nan 0.000 0.480 220 I N -0.684 120.034 120.570 0.247 0.000 2.179 220 I HA -0.268 3.913 4.170 0.019 0.000 0.242 220 I C 2.747 178.911 176.117 0.078 0.000 1.088 220 I CA 1.545 62.928 61.300 0.137 0.000 1.357 220 I CB -1.241 36.821 38.000 0.104 0.000 1.051 220 I HN 0.216 nan 8.210 nan 0.000 0.409 221 G N 0.388 109.229 108.800 0.068 0.000 2.480 221 G HA2 -0.225 3.747 3.960 0.019 0.000 0.216 221 G HA3 -0.225 3.747 3.960 0.019 0.000 0.216 221 G C 1.722 176.634 174.900 0.021 0.000 1.200 221 G CA 1.018 46.138 45.100 0.033 0.000 0.782 221 G HN 0.210 nan 8.290 nan 0.000 0.554 222 V N 1.399 121.319 119.914 0.011 0.000 2.226 222 V HA -0.319 3.813 4.120 0.019 0.000 0.254 222 V C 2.859 178.946 176.094 -0.012 0.000 1.065 222 V CA 2.307 64.594 62.300 -0.022 0.000 1.039 222 V CB -0.534 31.239 31.823 -0.083 0.000 0.653 222 V HN 0.464 nan 8.190 nan 0.000 0.450 223 I N -1.092 119.483 120.570 0.007 0.000 2.185 223 I HA -0.351 3.831 4.170 0.019 0.000 0.246 223 I C 2.444 178.576 176.117 0.025 0.000 1.088 223 I CA 1.672 62.987 61.300 0.025 0.000 1.347 223 I CB -0.345 37.694 38.000 0.065 0.000 1.041 223 I HN 0.341 nan 8.210 nan 0.000 0.415 224 M N -0.071 119.545 119.600 0.026 0.000 2.236 224 M HA -0.080 4.412 4.480 0.019 0.000 0.266 224 M C 2.681 179.004 176.300 0.039 0.000 1.070 224 M CA 1.731 57.046 55.300 0.024 0.000 1.137 224 M CB -1.305 31.301 32.600 0.011 0.000 1.378 224 M HN 0.359 nan 8.290 nan 0.000 0.426 225 S N -0.349 115.372 115.700 0.034 0.000 2.383 225 S HA -0.100 4.382 4.470 0.019 0.000 0.227 225 S C 1.870 176.518 174.600 0.079 0.000 1.026 225 S CA 1.748 59.978 58.200 0.050 0.000 0.981 225 S CB -0.864 62.350 63.200 0.024 0.000 0.818 225 S HN 0.451 nan 8.310 nan 0.000 0.472 226 T N 2.859 117.441 114.554 0.047 0.000 2.746 226 T HA 0.086 4.447 4.350 0.019 0.000 0.267 226 T C 1.738 176.495 174.700 0.094 0.000 1.039 226 T CA 1.623 63.746 62.100 0.038 0.000 1.142 226 T CB -0.528 68.332 68.868 -0.013 0.000 0.866 226 T HN 0.451 nan 8.240 nan 0.000 0.444 227 I N 0.706 121.320 120.570 0.075 0.000 2.546 227 I HA -0.108 4.073 4.170 0.019 0.000 0.255 227 I C 2.544 178.725 176.117 0.107 0.000 1.163 227 I CA 0.745 62.087 61.300 0.071 0.000 1.457 227 I CB -0.448 37.570 38.000 0.030 0.000 1.092 227 I HN 0.176 nan 8.210 nan 0.000 0.434 228 M N -0.173 119.519 119.600 0.154 0.000 2.065 228 M HA -0.277 4.214 4.480 0.019 0.000 0.259 228 M C 2.575 179.090 176.300 0.358 0.000 1.069 228 M CA 2.177 57.635 55.300 0.263 0.000 1.110 228 M CB -1.168 31.571 32.600 0.232 0.000 1.328 228 M HN 0.291 nan 8.290 nan 0.000 0.405 229 Y N 1.234 121.623 120.300 0.149 0.000 2.081 229 Y HA -0.310 4.253 4.550 0.022 0.000 0.280 229 Y C 2.554 178.516 175.900 0.102 0.000 1.163 229 Y CA 1.986 60.163 58.100 0.129 0.000 1.135 229 Y CB -0.268 38.227 38.460 0.059 0.000 0.970 229 Y HN 0.128 nan 8.280 nan 0.000 0.498 230 R N 0.122 120.883 120.500 0.436 0.000 2.127 230 R HA -0.161 4.190 4.340 0.019 0.000 0.238 230 R C 2.194 178.496 176.300 0.003 0.000 1.134 230 R CA 1.955 58.209 56.100 0.257 0.000 0.975 230 R CB -0.420 29.977 30.300 0.163 0.000 0.865 230 R HN 0.469 nan 8.270 nan 0.000 0.447 231 I N -0.606 119.905 120.570 -0.097 0.000 2.252 231 I HA -0.223 3.958 4.170 0.019 0.000 0.245 231 I C 1.304 177.125 176.117 -0.493 0.000 1.102 231 I CA 1.372 62.446 61.300 -0.377 0.000 1.385 231 I CB -0.074 37.576 38.000 -0.583 0.000 1.064 231 I HN 0.057 nan 8.210 nan 0.000 0.414 232 F N 0.097 119.997 119.950 -0.083 0.000 2.776 232 F HA 0.131 4.669 4.527 0.018 0.000 0.300 232 F C 0.414 176.168 175.800 -0.077 0.000 1.116 232 F CA 0.025 57.985 58.000 -0.067 0.000 1.375 232 F CB -0.066 38.900 39.000 -0.056 0.000 1.109 232 F HN 0.001 nan 8.300 nan 0.000 0.585 233 N N 0.090 118.758 118.700 -0.054 0.000 2.800 233 N HA 0.083 4.835 4.740 0.019 0.000 0.240 233 N C -1.067 174.458 175.510 0.024 0.000 1.096 233 N CA -0.506 52.479 53.050 -0.107 0.000 0.877 233 N CB -0.206 37.931 38.487 -0.584 0.000 1.138 233 N HN 0.078 nan 8.380 nan 0.000 0.509 234 H N 1.183 120.232 119.070 -0.036 0.000 3.267 234 H HA -0.101 4.468 4.556 0.022 0.000 0.239 234 H C 0.260 175.597 175.328 0.016 0.000 0.836 234 H CA 0.603 56.645 56.048 -0.010 0.000 1.388 234 H CB -0.188 29.571 29.762 -0.005 0.000 1.505 234 H HN 0.367 nan 8.280 nan 0.000 0.510 235 E N 0.427 120.673 120.200 0.076 0.000 1.898 235 E HA -0.171 4.191 4.350 0.019 0.000 0.181 235 E C -0.707 175.953 176.600 0.101 0.000 1.307 235 E CA 0.544 56.992 56.400 0.081 0.000 0.652 235 E CB -0.594 29.138 29.700 0.054 0.000 1.036 235 E HN 0.300 nan 8.360 nan 0.000 0.302 236 V N 0.006 119.995 119.914 0.126 0.000 2.656 236 V HA 0.748 4.880 4.120 0.019 0.000 0.307 236 V C -0.278 175.903 176.094 0.145 0.000 1.051 236 V CA -0.303 62.066 62.300 0.115 0.000 0.893 236 V CB 1.916 33.794 31.823 0.092 0.000 0.999 236 V HN 0.331 nan 8.190 nan 0.000 0.426 237 A N 5.517 128.401 122.820 0.106 0.000 2.388 237 A HA 0.544 4.876 4.320 0.019 0.000 0.257 237 A C 0.814 178.448 177.584 0.084 0.000 1.095 237 A CA -0.280 51.815 52.037 0.096 0.000 0.791 237 A CB 0.546 19.587 19.000 0.070 0.000 1.029 237 A HN 1.007 nan 8.150 nan 0.000 0.489 238 L N 1.459 122.720 121.223 0.062 0.000 2.141 238 L HA 0.061 4.413 4.340 0.019 0.000 0.209 238 L C 0.236 177.098 176.870 -0.013 0.000 1.094 238 L CA 1.090 55.909 54.840 -0.035 0.000 0.763 238 L CB -0.288 41.668 42.059 -0.172 0.000 0.908 238 L HN 0.578 nan 8.230 nan 0.000 0.437 239 I N -0.341 120.257 120.570 0.047 0.000 2.439 239 I HA 0.169 4.351 4.170 0.019 0.000 0.285 239 I C -1.060 175.103 176.117 0.076 0.000 1.021 239 I CA -0.478 60.880 61.300 0.097 0.000 1.091 239 I CB 1.954 40.037 38.000 0.138 0.000 1.242 239 I HN -0.167 nan 8.210 nan 0.000 0.439 240 D N 6.146 126.592 120.400 0.077 0.000 2.454 240 D HA 0.252 4.904 4.640 0.019 0.000 0.225 240 D C 0.122 176.458 176.300 0.061 0.000 1.081 240 D CA 0.015 54.053 54.000 0.063 0.000 0.864 240 D CB 1.851 42.685 40.800 0.058 0.000 1.040 240 D HN 0.184 nan 8.370 nan 0.000 0.517 241 V N 3.026 122.972 119.914 0.054 0.000 3.578 241 V HA 0.319 4.451 4.120 0.019 0.000 0.290 241 V C 1.336 177.454 176.094 0.040 0.000 1.376 241 V CA 0.713 63.043 62.300 0.049 0.000 1.083 241 V CB -0.253 31.598 31.823 0.047 0.000 0.911 241 V HN 0.876 nan 8.190 nan 0.000 0.433 242 G N 1.670 110.494 108.800 0.040 0.000 2.575 242 G HA2 -0.299 3.673 3.960 0.019 0.000 0.267 242 G HA3 -0.299 3.673 3.960 0.019 0.000 0.267 242 G C -0.175 174.745 174.900 0.034 0.000 1.264 242 G CA 0.447 45.569 45.100 0.036 0.000 0.935 242 G HN 0.548 nan 8.290 nan 0.000 0.568 243 K N -0.297 120.122 120.400 0.031 0.000 2.207 243 K HA 0.808 5.139 4.320 0.019 0.000 0.255 243 K C -0.218 176.396 176.600 0.024 0.000 0.941 243 K CA -0.744 55.560 56.287 0.029 0.000 0.825 243 K CB 0.998 33.516 32.500 0.031 0.000 1.119 243 K HN 0.623 nan 8.250 nan 0.000 0.430 244 L N 1.817 123.049 121.223 0.016 0.000 2.301 244 L HA 0.535 4.887 4.340 0.019 0.000 0.264 244 L C 0.013 176.885 176.870 0.003 0.000 1.016 244 L CA -1.393 53.455 54.840 0.013 0.000 0.821 244 L CB 2.003 44.068 42.059 0.010 0.000 1.346 244 L HN 0.885 nan 8.230 nan 0.000 0.429 245 S N -0.972 114.732 115.700 0.007 0.000 2.584 245 S HA 0.153 4.634 4.470 0.019 0.000 0.270 245 S C -0.317 174.264 174.600 -0.032 0.000 1.346 245 S CA -0.855 57.344 58.200 -0.000 0.000 1.018 245 S CB 0.638 63.850 63.200 0.021 0.000 0.899 245 S HN 0.475 nan 8.310 nan 0.000 0.542 246 D N 0.827 121.201 120.400 -0.043 0.000 2.384 246 D HA 0.449 5.101 4.640 0.019 0.000 0.244 246 D C -0.066 176.173 176.300 -0.101 0.000 1.251 246 D CA 0.018 53.967 54.000 -0.085 0.000 0.961 246 D CB 0.470 41.221 40.800 -0.081 0.000 1.116 246 D HN 0.822 nan 8.370 nan 0.000 0.484 247 A N 1.166 123.887 122.820 -0.165 0.000 2.256 247 A HA 0.511 4.842 4.320 0.019 0.000 0.317 247 A C -2.302 175.197 177.584 -0.142 0.000 1.318 247 A CA -1.274 50.663 52.037 -0.167 0.000 0.894 247 A CB 0.278 19.093 19.000 -0.309 0.000 1.165 247 A HN 0.232 nan 8.150 nan 0.000 0.525 248 P HA 0.004 nan 4.420 nan 0.000 0.266 248 P C 1.209 178.459 177.300 -0.083 0.000 1.195 248 P CA -0.473 62.587 63.100 -0.066 0.000 0.768 248 P CB 0.533 32.223 31.700 -0.017 0.000 0.838 249 L N 2.546 123.732 121.223 -0.062 0.000 2.021 249 L HA -0.236 4.116 4.340 0.019 0.000 0.215 249 L C 2.058 178.925 176.870 -0.006 0.000 1.074 249 L CA 2.273 57.088 54.840 -0.042 0.000 0.760 249 L CB -1.410 40.638 42.059 -0.018 0.000 0.889 249 L HN 0.580 nan 8.230 nan 0.000 0.433 250 N N -1.106 117.600 118.700 0.011 0.000 2.184 250 N HA -0.210 4.541 4.740 0.019 0.000 0.190 250 N C 1.481 176.918 175.510 -0.120 0.000 1.011 250 N CA 2.049 55.121 53.050 0.037 0.000 0.867 250 N CB -1.004 37.551 38.487 0.114 0.000 0.993 250 N HN 0.308 nan 8.380 nan 0.000 0.433 251 T N 1.611 116.006 114.554 -0.265 0.000 2.985 251 T HA 0.189 4.551 4.350 0.019 0.000 0.266 251 T C 2.044 176.599 174.700 -0.241 0.000 1.076 251 T CA 0.011 61.865 62.100 -0.410 0.000 1.135 251 T CB -0.107 68.630 68.868 -0.219 0.000 0.890 251 T HN 0.142 nan 8.240 nan 0.000 0.480 252 L N 1.227 122.418 121.223 -0.053 0.000 2.137 252 L HA -0.156 4.195 4.340 0.019 0.000 0.213 252 L C 2.754 179.674 176.870 0.084 0.000 1.085 252 L CA 1.510 56.363 54.840 0.022 0.000 0.760 252 L CB -0.623 41.434 42.059 -0.003 0.000 0.893 252 L HN 0.615 nan 8.230 nan 0.000 0.434 253 W N -0.086 121.227 121.300 0.021 0.000 2.425 253 W HA -0.097 4.575 4.660 0.020 0.000 0.277 253 W C 1.671 178.223 176.519 0.056 0.000 1.231 253 W CA 0.362 57.728 57.345 0.035 0.000 1.248 253 W CB -0.967 28.505 29.460 0.021 0.000 1.117 253 W HN 0.154 nan 8.180 nan 0.000 0.568 254 L N 0.015 120.708 121.223 -0.882 0.000 2.201 254 L HA -0.198 4.153 4.340 0.019 0.000 0.212 254 L C 2.445 179.151 176.870 -0.274 0.000 1.105 254 L CA 1.406 55.785 54.840 -0.768 0.000 0.775 254 L CB -0.874 40.706 42.059 -0.799 0.000 0.913 254 L HN -0.148 nan 8.230 nan 0.000 0.440 255 Y N -1.254 118.977 120.300 -0.114 0.000 2.439 255 Y HA -0.179 4.382 4.550 0.019 0.000 0.292 255 Y C 2.135 177.967 175.900 -0.112 0.000 1.130 255 Y CA 0.530 58.562 58.100 -0.113 0.000 1.254 255 Y CB 0.044 38.400 38.460 -0.173 0.000 1.000 255 Y HN 0.090 nan 8.280 nan 0.000 0.554 256 L N -0.672 120.596 121.223 0.075 0.000 2.179 256 L HA -0.069 4.283 4.340 0.019 0.000 0.208 256 L C 1.717 178.618 176.870 0.052 0.000 1.096 256 L CA 1.412 56.300 54.840 0.080 0.000 0.779 256 L CB -0.542 41.600 42.059 0.138 0.000 0.922 256 L HN 0.094 nan 8.230 nan 0.000 0.443 257 I N -1.199 119.390 120.570 0.031 0.000 2.286 257 I HA -0.188 3.994 4.170 0.019 0.000 0.245 257 I C 2.224 178.258 176.117 -0.138 0.000 1.104 257 I CA 0.810 62.142 61.300 0.054 0.000 1.397 257 I CB -0.624 37.502 38.000 0.210 0.000 1.072 257 I HN 0.240 nan 8.210 nan 0.000 0.417 258 L N 0.850 121.741 121.223 -0.553 0.000 1.990 258 L HA -0.155 4.196 4.340 0.019 0.000 0.213 258 L C 2.406 179.208 176.870 -0.113 0.000 1.072 258 L CA 2.412 56.794 54.840 -0.764 0.000 0.755 258 L CB -1.502 40.001 42.059 -0.926 0.000 0.889 258 L HN 0.284 nan 8.230 nan 0.000 0.432 259 G N -0.396 108.384 108.800 -0.034 0.000 2.440 259 G HA2 -0.284 3.688 3.960 0.019 0.000 0.218 259 G HA3 -0.284 3.688 3.960 0.019 0.000 0.218 259 G C 1.665 176.629 174.900 0.107 0.000 1.154 259 G CA 1.252 46.393 45.100 0.068 0.000 0.767 259 G HN 0.505 nan 8.290 nan 0.000 0.552 260 I N 0.439 121.051 120.570 0.071 0.000 2.226 260 I HA -0.157 4.025 4.170 0.019 0.000 0.245 260 I C 2.670 178.832 176.117 0.075 0.000 1.100 260 I CA 0.754 62.103 61.300 0.081 0.000 1.374 260 I CB -0.171 37.879 38.000 0.084 0.000 1.057 260 I HN 0.172 nan 8.210 nan 0.000 0.413 261 I N -0.067 120.528 120.570 0.042 0.000 2.163 261 I HA -0.328 3.854 4.170 0.019 0.000 0.243 261 I C 2.354 178.463 176.117 -0.014 0.000 1.085 261 I CA 1.762 63.051 61.300 -0.019 0.000 1.347 261 I CB -0.383 37.555 38.000 -0.104 0.000 1.044 261 I HN 0.060 nan 8.210 nan 0.000 0.408 262 F N 0.828 120.772 119.950 -0.010 0.000 2.161 262 F HA -0.166 4.373 4.527 0.019 0.000 0.300 262 F C 2.532 178.360 175.800 0.047 0.000 1.089 262 F CA 1.586 59.606 58.000 0.034 0.000 1.282 262 F CB -0.872 38.117 39.000 -0.019 0.000 1.010 262 F HN 0.052 nan 8.300 nan 0.000 0.485 263 G N -0.220 108.699 108.800 0.199 0.000 2.470 263 G HA2 -0.200 3.771 3.960 0.019 0.000 0.220 263 G HA3 -0.200 3.771 3.960 0.019 0.000 0.220 263 G C 1.604 176.549 174.900 0.075 0.000 1.121 263 G CA 0.974 46.140 45.100 0.110 0.000 0.766 263 G HN 0.389 nan 8.290 nan 0.000 0.553 264 I N -1.119 119.499 120.570 0.081 0.000 2.585 264 I HA 0.121 4.303 4.170 0.019 0.000 0.254 264 I C 2.216 178.361 176.117 0.047 0.000 1.129 264 I CA 0.212 61.544 61.300 0.053 0.000 1.455 264 I CB -0.102 37.930 38.000 0.053 0.000 1.111 264 I HN 0.130 nan 8.210 nan 0.000 0.433 265 F N 1.911 121.812 119.950 -0.081 0.000 2.163 265 F HA 0.034 4.573 4.527 0.019 0.000 0.297 265 F C 2.274 178.029 175.800 -0.075 0.000 1.094 265 F CA 1.234 59.165 58.000 -0.115 0.000 1.290 265 F CB -0.837 38.072 39.000 -0.152 0.000 1.017 265 F HN -0.018 nan 8.300 nan 0.000 0.483 266 G N 1.041 109.774 108.800 -0.112 0.000 2.586 266 G HA2 -0.279 3.693 3.960 0.019 0.000 0.218 266 G HA3 -0.279 3.693 3.960 0.019 0.000 0.218 266 G C -0.603 174.173 174.900 -0.207 0.000 1.216 266 G CA 1.156 46.167 45.100 -0.149 0.000 0.786 266 G HN 0.287 nan 8.290 nan 0.000 0.583 267 P HA -0.050 nan 4.420 nan 0.000 0.216 267 P C 1.915 179.051 177.300 -0.274 0.000 1.150 267 P CA 0.792 63.791 63.100 -0.169 0.000 0.837 267 P CB -0.080 31.553 31.700 -0.112 0.000 0.786 268 I N -2.360 117.969 120.570 -0.402 0.000 2.226 268 I HA -0.245 3.937 4.170 0.019 0.000 0.245 268 I C 2.194 177.763 176.117 -0.914 0.000 1.100 268 I CA 1.241 62.142 61.300 -0.664 0.000 1.374 268 I CB -0.515 37.057 38.000 -0.714 0.000 1.057 268 I HN -0.130 nan 8.210 nan 0.000 0.413 269 F N 2.117 121.454 119.950 -1.022 0.000 2.134 269 F HA -0.251 4.288 4.527 0.019 0.000 0.299 269 F C 2.251 177.872 175.800 -0.298 0.000 1.097 269 F CA 1.656 59.230 58.000 -0.711 0.000 1.264 269 F CB -0.486 38.017 39.000 -0.828 0.000 1.001 269 F HN 0.075 nan 8.300 nan 0.000 0.479 270 N N 0.756 119.302 118.700 -0.257 0.000 2.036 270 N HA -0.205 4.547 4.740 0.019 0.000 0.195 270 N C 1.843 177.254 175.510 -0.165 0.000 1.037 270 N CA 1.740 54.673 53.050 -0.196 0.000 0.855 270 N CB -0.429 37.979 38.487 -0.131 0.000 1.033 270 N HN 0.306 nan 8.380 nan 0.000 0.423 271 K N -0.627 119.671 120.400 -0.169 0.000 2.032 271 K HA -0.144 4.188 4.320 0.019 0.000 0.209 271 K C 1.918 178.550 176.600 0.052 0.000 1.048 271 K CA 1.092 57.336 56.287 -0.072 0.000 0.927 271 K CB -0.192 32.255 32.500 -0.088 0.000 0.712 271 K HN 0.266 nan 8.250 nan 0.000 0.441 272 W N 0.635 121.823 121.300 -0.187 0.000 2.363 272 W HA -0.131 4.540 4.660 0.019 0.000 0.296 272 W C 2.047 178.413 176.519 -0.255 0.000 1.212 272 W CA 0.363 57.586 57.345 -0.203 0.000 1.260 272 W CB -1.105 28.227 29.460 -0.213 0.000 1.131 272 W HN -0.152 nan 8.180 nan 0.000 0.530 273 V N 0.452 120.273 119.914 -0.155 0.000 2.295 273 V HA -0.290 3.841 4.120 0.019 0.000 0.246 273 V C 2.301 178.392 176.094 -0.005 0.000 1.049 273 V CA 1.617 63.827 62.300 -0.150 0.000 1.024 273 V CB -0.983 30.699 31.823 -0.235 0.000 0.648 273 V HN 0.062 nan 8.190 nan 0.000 0.447 274 L N 0.095 121.314 121.223 -0.006 0.000 2.023 274 L HA -0.013 4.339 4.340 0.019 0.000 0.205 274 L C 2.725 179.602 176.870 0.013 0.000 1.073 274 L CA 1.732 56.581 54.840 0.014 0.000 0.745 274 L CB -1.301 40.762 42.059 0.006 0.000 0.900 274 L HN 0.444 nan 8.230 nan 0.000 0.435 275 G N -0.165 108.651 108.800 0.026 0.000 2.469 275 G HA2 -0.361 3.610 3.960 0.019 0.000 0.219 275 G HA3 -0.361 3.610 3.960 0.019 0.000 0.219 275 G C 1.558 176.457 174.900 -0.001 0.000 1.150 275 G CA 1.112 46.226 45.100 0.024 0.000 0.763 275 G HN 0.185 nan 8.290 nan 0.000 0.561 276 M N 0.354 119.953 119.600 -0.003 0.000 2.296 276 M HA 0.089 4.580 4.480 0.019 0.000 0.265 276 M C 2.477 178.766 176.300 -0.018 0.000 1.064 276 M CA 1.188 56.475 55.300 -0.021 0.000 1.109 276 M CB -0.492 32.096 32.600 -0.020 0.000 1.396 276 M HN 0.334 nan 8.290 nan 0.000 0.430 277 Q N -0.069 119.728 119.800 -0.005 0.000 2.061 277 Q HA -0.206 4.145 4.340 0.019 0.000 0.204 277 Q C 1.533 177.513 176.000 -0.034 0.000 0.984 277 Q CA 1.870 57.665 55.803 -0.013 0.000 0.846 277 Q CB -0.161 28.571 28.738 -0.009 0.000 0.902 277 Q HN 0.529 nan 8.270 nan 0.000 0.421 278 D N 0.541 120.921 120.400 -0.033 0.000 2.084 278 D HA -0.167 4.485 4.640 0.019 0.000 0.196 278 D C 1.865 178.142 176.300 -0.039 0.000 0.985 278 D CA 0.759 54.741 54.000 -0.030 0.000 0.826 278 D CB -0.390 40.396 40.800 -0.024 0.000 0.978 278 D HN 0.168 nan 8.370 nan 0.000 0.456 279 L N 0.342 121.533 121.223 -0.055 0.000 2.042 279 L HA -0.157 4.194 4.340 0.019 0.000 0.210 279 L C 2.314 179.102 176.870 -0.136 0.000 1.076 279 L CA 1.017 55.809 54.840 -0.080 0.000 0.749 279 L CB -0.090 41.927 42.059 -0.070 0.000 0.893 279 L HN 0.020 nan 8.230 nan 0.000 0.432 280 L N -1.568 119.566 121.223 -0.148 0.000 2.217 280 L HA -0.218 4.134 4.340 0.019 0.000 0.211 280 L C 2.465 179.019 176.870 -0.526 0.000 1.107 280 L CA 0.792 55.484 54.840 -0.247 0.000 0.783 280 L CB -0.635 41.334 42.059 -0.150 0.000 0.919 280 L HN 0.356 nan 8.230 nan 0.000 0.442 281 H N 0.561 119.315 119.070 -0.526 0.000 2.353 281 H HA -0.132 4.436 4.556 0.019 0.000 0.300 281 H C 2.389 177.323 175.328 -0.657 0.000 1.090 281 H CA 1.667 57.298 56.048 -0.696 0.000 1.327 281 H CB 0.140 29.723 29.762 -0.298 0.000 1.383 281 H HN 0.043 nan 8.280 nan 0.000 0.508 282 R N -0.546 119.737 120.500 -0.361 0.000 2.105 282 R HA -0.119 4.233 4.340 0.019 0.000 0.239 282 R C 2.356 178.456 176.300 -0.334 0.000 1.135 282 R CA 1.358 57.288 56.100 -0.284 0.000 0.967 282 R CB -0.259 29.950 30.300 -0.152 0.000 0.861 282 R HN 0.208 nan 8.270 nan 0.000 0.442 283 V N 0.603 120.272 119.914 -0.408 0.000 2.287 283 V HA -0.278 3.853 4.120 0.019 0.000 0.248 283 V C 1.947 177.866 176.094 -0.292 0.000 1.053 283 V CA 2.403 64.513 62.300 -0.317 0.000 1.027 283 V CB -0.701 30.953 31.823 -0.283 0.000 0.646 283 V HN 0.574 nan 8.190 nan 0.000 0.447 284 H N -0.927 117.967 119.070 -0.293 0.000 2.639 284 H HA 0.429 4.996 4.556 0.019 0.000 0.267 284 H C 1.649 176.806 175.328 -0.285 0.000 0.958 284 H CA 0.084 55.979 56.048 -0.256 0.000 1.221 284 H CB -0.570 29.040 29.762 -0.254 0.000 1.446 284 H HN 0.355 nan 8.280 nan 0.000 0.512 285 G N 0.192 108.788 108.800 -0.341 0.000 2.321 285 G HA2 -0.094 3.878 3.960 0.019 0.000 0.287 285 G HA3 -0.094 3.878 3.960 0.019 0.000 0.287 285 G C 1.242 176.035 174.900 -0.178 0.000 1.018 285 G CA 1.170 46.061 45.100 -0.349 0.000 0.855 285 G HN 1.534 nan 8.290 nan 0.000 0.507 286 G N -0.825 107.941 108.800 -0.057 0.000 2.349 286 G HA2 -0.287 3.685 3.960 0.019 0.000 0.213 286 G HA3 -0.287 3.685 3.960 0.019 0.000 0.213 286 G C 0.401 175.438 174.900 0.228 0.000 1.044 286 G CA 0.635 45.857 45.100 0.202 0.000 0.633 286 G HN 1.434 nan 8.290 nan 0.000 0.506 287 N N 1.560 120.339 118.700 0.132 0.000 2.365 287 N HA 0.083 4.835 4.740 0.019 0.000 0.265 287 N C 1.739 177.330 175.510 0.135 0.000 1.288 287 N CA 0.805 53.921 53.050 0.110 0.000 0.869 287 N CB 0.424 38.959 38.487 0.080 0.000 1.071 287 N HN 0.486 nan 8.380 nan 0.000 0.480 288 I N 3.901 124.528 120.570 0.094 0.000 2.087 288 I HA -0.382 3.800 4.170 0.019 0.000 0.240 288 I C 1.776 177.964 176.117 0.119 0.000 1.054 288 I CA 1.701 63.043 61.300 0.070 0.000 1.311 288 I CB -0.141 37.864 38.000 0.007 0.000 1.024 288 I HN 0.599 nan 8.210 nan 0.000 0.402 289 T N 0.957 115.573 114.554 0.103 0.000 2.652 289 T HA -0.220 4.142 4.350 0.019 0.000 0.267 289 T C 1.892 176.652 174.700 0.099 0.000 1.039 289 T CA 1.629 63.785 62.100 0.094 0.000 1.153 289 T CB -0.280 68.626 68.868 0.064 0.000 0.863 289 T HN 0.345 nan 8.240 nan 0.000 0.428 290 K N -0.131 120.331 120.400 0.103 0.000 2.032 290 K HA -0.147 4.185 4.320 0.019 0.000 0.209 290 K C 2.144 178.839 176.600 0.158 0.000 1.048 290 K CA 1.318 57.671 56.287 0.110 0.000 0.927 290 K CB -0.307 32.260 32.500 0.112 0.000 0.712 290 K HN 0.380 nan 8.250 nan 0.000 0.441 291 W N 1.841 123.092 121.300 -0.081 0.000 2.335 291 W HA -0.204 4.468 4.660 0.019 0.000 0.311 291 W C 1.901 178.339 176.519 -0.134 0.000 1.213 291 W CA 1.105 58.320 57.345 -0.216 0.000 1.274 291 W CB -0.695 28.467 29.460 -0.497 0.000 1.148 291 W HN -0.203 nan 8.180 nan 0.000 0.498 292 V N 0.971 121.008 119.914 0.204 0.000 2.343 292 V HA -0.321 3.810 4.120 0.019 0.000 0.247 292 V C 2.530 178.615 176.094 -0.016 0.000 1.051 292 V CA 1.887 64.240 62.300 0.088 0.000 1.036 292 V CB -1.133 30.776 31.823 0.143 0.000 0.654 292 V HN 0.094 nan 8.190 nan 0.000 0.451 293 L N -1.086 120.155 121.223 0.029 0.000 1.994 293 L HA -0.257 4.095 4.340 0.019 0.000 0.208 293 L C 2.547 179.405 176.870 -0.021 0.000 1.071 293 L CA 2.278 57.125 54.840 0.011 0.000 0.745 293 L CB -0.501 41.579 42.059 0.035 0.000 0.892 293 L HN 0.333 nan 8.230 nan 0.000 0.431 294 M N -0.279 119.318 119.600 -0.006 0.000 2.106 294 M HA -0.186 4.305 4.480 0.019 0.000 0.259 294 M C 2.092 178.305 176.300 -0.147 0.000 1.068 294 M CA 2.244 57.525 55.300 -0.031 0.000 1.100 294 M CB -0.503 32.105 32.600 0.014 0.000 1.351 294 M HN 0.286 nan 8.290 nan 0.000 0.404 295 G N -0.927 107.652 108.800 -0.367 0.000 2.446 295 G HA2 -0.181 3.790 3.960 0.019 0.000 0.217 295 G HA3 -0.181 3.790 3.960 0.019 0.000 0.217 295 G C 1.407 176.008 174.900 -0.499 0.000 1.168 295 G CA 0.860 45.343 45.100 -1.030 0.000 0.771 295 G HN 0.623 nan 8.290 nan 0.000 0.551 296 G N 1.090 109.728 108.800 -0.271 0.000 2.422 296 G HA2 0.045 4.017 3.960 0.019 0.000 0.218 296 G HA3 0.045 4.017 3.960 0.019 0.000 0.218 296 G C 2.021 176.839 174.900 -0.137 0.000 1.146 296 G CA 1.612 46.636 45.100 -0.128 0.000 0.769 296 G HN 0.665 nan 8.290 nan 0.000 0.547 297 A N 1.335 124.121 122.820 -0.057 0.000 1.834 297 A HA -0.074 4.257 4.320 0.019 0.000 0.216 297 A C 2.385 179.941 177.584 -0.047 0.000 1.203 297 A CA 1.659 53.718 52.037 0.037 0.000 0.621 297 A CB -0.639 18.411 19.000 0.083 0.000 0.841 297 A HN 0.362 nan 8.150 nan 0.000 0.446 298 I N -0.036 120.518 120.570 -0.027 0.000 2.185 298 I HA -0.299 3.882 4.170 0.019 0.000 0.246 298 I C 2.658 178.765 176.117 -0.018 0.000 1.088 298 I CA 1.254 62.558 61.300 0.007 0.000 1.347 298 I CB -1.000 37.034 38.000 0.056 0.000 1.041 298 I HN 0.446 nan 8.210 nan 0.000 0.415 299 G N 0.838 109.610 108.800 -0.047 0.000 2.587 299 G HA2 -0.237 3.734 3.960 0.019 0.000 0.217 299 G HA3 -0.237 3.734 3.960 0.019 0.000 0.217 299 G C 1.730 176.511 174.900 -0.198 0.000 1.240 299 G CA 1.023 46.098 45.100 -0.042 0.000 0.794 299 G HN 0.493 nan 8.290 nan 0.000 0.580 300 G N 0.754 109.260 108.800 -0.491 0.000 2.476 300 G HA2 -0.208 3.763 3.960 0.019 0.000 0.218 300 G HA3 -0.208 3.763 3.960 0.019 0.000 0.218 300 G C 1.802 176.280 174.900 -0.703 0.000 1.164 300 G CA 1.291 45.761 45.100 -1.050 0.000 0.768 300 G HN 0.492 nan 8.290 nan 0.000 0.560 301 L N 0.698 121.714 121.223 -0.344 0.000 2.043 301 L HA -0.112 4.239 4.340 0.019 0.000 0.212 301 L C 2.662 179.565 176.870 0.055 0.000 1.075 301 L CA 1.858 56.736 54.840 0.064 0.000 0.752 301 L CB -0.998 41.134 42.059 0.121 0.000 0.891 301 L HN 0.261 nan 8.230 nan 0.000 0.432 302 C N 0.006 119.312 119.300 0.010 0.000 2.446 302 C HA 0.067 4.539 4.460 0.019 0.000 0.279 302 C C 2.729 177.748 174.990 0.048 0.000 1.366 302 C CA 0.426 59.469 59.018 0.043 0.000 1.763 302 C CB -1.824 25.947 27.740 0.051 0.000 1.929 302 C HN 0.785 nan 8.230 nan 0.000 0.509 303 G N 0.308 109.113 108.800 0.009 0.000 2.403 303 G HA2 -0.151 3.820 3.960 0.019 0.000 0.216 303 G HA3 -0.151 3.820 3.960 0.019 0.000 0.216 303 G C 1.508 176.466 174.900 0.096 0.000 1.154 303 G CA 0.788 45.907 45.100 0.033 0.000 0.784 303 G HN 0.464 nan 8.290 nan 0.000 0.538 304 L N 0.053 121.349 121.223 0.122 0.000 1.970 304 L HA 0.029 4.381 4.340 0.019 0.000 0.212 304 L C 2.583 179.574 176.870 0.202 0.000 1.071 304 L CA 1.506 56.460 54.840 0.190 0.000 0.751 304 L CB -0.594 41.622 42.059 0.261 0.000 0.889 304 L HN 0.139 nan 8.230 nan 0.000 0.432 305 L N 0.272 121.592 121.223 0.163 0.000 2.129 305 L HA -0.125 4.227 4.340 0.019 0.000 0.212 305 L C 2.428 179.382 176.870 0.140 0.000 1.087 305 L CA 1.981 56.908 54.840 0.145 0.000 0.757 305 L CB -1.512 40.612 42.059 0.108 0.000 0.896 305 L HN 0.445 nan 8.230 nan 0.000 0.434 306 G N -1.664 107.218 108.800 0.137 0.000 2.442 306 G HA2 -0.365 3.606 3.960 0.019 0.000 0.219 306 G HA3 -0.365 3.606 3.960 0.019 0.000 0.219 306 G C 1.590 176.591 174.900 0.168 0.000 1.141 306 G CA 0.987 46.167 45.100 0.133 0.000 0.763 306 G HN 0.436 nan 8.290 nan 0.000 0.554 307 F N 1.254 121.242 119.950 0.064 0.000 2.219 307 F HA 0.037 4.575 4.527 0.018 0.000 0.294 307 F C 2.619 178.474 175.800 0.091 0.000 1.086 307 F CA 1.529 59.568 58.000 0.066 0.000 1.330 307 F CB -0.028 38.995 39.000 0.039 0.000 1.047 307 F HN 0.052 nan 8.300 nan 0.000 0.495 308 V N -1.592 118.428 119.914 0.178 0.000 2.878 308 V HA 0.425 4.557 4.120 0.019 0.000 0.250 308 V C 0.837 176.977 176.094 0.077 0.000 1.075 308 V CA 0.807 63.177 62.300 0.117 0.000 1.096 308 V CB -0.766 31.203 31.823 0.244 0.000 0.724 308 V HN 0.324 nan 8.190 nan 0.000 0.467 309 A N 0.139 123.025 122.820 0.109 0.000 3.300 309 A HA 0.692 5.023 4.320 0.019 0.000 0.300 309 A C -1.690 175.963 177.584 0.115 0.000 1.099 309 A CA -0.682 51.443 52.037 0.147 0.000 0.846 309 A CB 0.498 19.649 19.000 0.250 0.000 1.255 309 A HN 0.309 nan 8.150 nan 0.000 0.519 310 P HA -0.194 nan 4.420 nan 0.000 0.218 310 P C 1.485 178.837 177.300 0.087 0.000 1.146 310 P CA 2.015 65.163 63.100 0.080 0.000 0.813 310 P CB 0.339 32.079 31.700 0.067 0.000 0.778 311 A N -1.202 121.674 122.820 0.094 0.000 2.218 311 A HA -0.002 4.330 4.320 0.019 0.000 0.209 311 A C 1.940 179.508 177.584 -0.027 0.000 1.168 311 A CA 1.445 53.518 52.037 0.059 0.000 0.804 311 A CB -1.233 17.807 19.000 0.068 0.000 0.834 311 A HN 0.312 nan 8.150 nan 0.000 0.482 312 T N -3.881 110.653 114.554 -0.033 0.000 3.044 312 T HA 0.175 4.537 4.350 0.019 0.000 0.255 312 T C 1.237 175.913 174.700 -0.040 0.000 1.073 312 T CA 0.899 62.938 62.100 -0.102 0.000 1.125 312 T CB -0.089 68.695 68.868 -0.139 0.000 0.908 312 T HN 0.211 nan 8.240 nan 0.000 0.480 313 S N -0.581 115.127 115.700 0.012 0.000 2.623 313 S HA 0.665 5.147 4.470 0.019 0.000 0.287 313 S C 0.817 175.444 174.600 0.044 0.000 1.123 313 S CA 0.308 58.530 58.200 0.037 0.000 1.016 313 S CB 0.579 63.815 63.200 0.061 0.000 1.233 313 S HN 1.320 nan 8.310 nan 0.000 0.512 314 G N -0.223 108.614 108.800 0.062 0.000 2.750 314 G HA2 -0.082 3.890 3.960 0.019 0.000 0.228 314 G HA3 -0.082 3.890 3.960 0.019 0.000 0.228 314 G C 0.752 175.689 174.900 0.062 0.000 1.367 314 G CA 0.105 45.249 45.100 0.072 0.000 0.871 314 G HN 1.349 nan 8.290 nan 0.000 0.560 315 G N -1.731 107.114 108.800 0.075 0.000 2.424 315 G HA2 0.452 4.423 3.960 0.019 0.000 0.214 315 G HA3 0.452 4.423 3.960 0.019 0.000 0.214 315 G C 1.717 176.565 174.900 -0.086 0.000 1.202 315 G CA 2.332 47.456 45.100 0.040 0.000 0.793 315 G HN 2.619 nan 8.290 nan 0.000 0.534 316 G N -1.332 107.413 108.800 -0.091 0.000 2.672 316 G HA2 -0.154 3.818 3.960 0.019 0.000 0.197 316 G HA3 -0.154 3.818 3.960 0.019 0.000 0.197 316 G C 1.023 175.839 174.900 -0.141 0.000 0.995 316 G CA 0.286 45.294 45.100 -0.154 0.000 0.754 316 G HN 0.290 nan 8.290 nan 0.000 0.505 317 F N 2.150 122.176 119.950 0.126 0.000 2.407 317 F HA 0.060 4.598 4.527 0.019 0.000 0.299 317 F C 2.461 178.331 175.800 0.117 0.000 1.097 317 F CA 1.151 59.228 58.000 0.129 0.000 1.422 317 F CB -0.027 39.059 39.000 0.143 0.000 1.067 317 F HN 0.121 nan 8.300 nan 0.000 0.539 318 N N 1.207 120.062 118.700 0.258 0.000 2.106 318 N HA -0.145 4.606 4.740 0.019 0.000 0.188 318 N C 1.874 177.498 175.510 0.191 0.000 1.029 318 N CA 1.819 54.988 53.050 0.198 0.000 0.848 318 N CB -0.580 38.005 38.487 0.163 0.000 1.007 318 N HN 0.364 nan 8.380 nan 0.000 0.423 319 L N -1.260 120.083 121.223 0.200 0.000 2.446 319 L HA 0.278 4.630 4.340 0.019 0.000 0.219 319 L C 2.031 179.062 176.870 0.270 0.000 1.116 319 L CA 0.686 55.696 54.840 0.283 0.000 0.844 319 L CB -0.525 41.700 42.059 0.275 0.000 0.970 319 L HN -0.087 nan 8.230 nan 0.000 0.457 320 I N 0.809 121.496 120.570 0.194 0.000 2.163 320 I HA -0.150 4.032 4.170 0.019 0.000 0.243 320 I C -0.152 176.062 176.117 0.162 0.000 1.085 320 I CA 1.495 62.898 61.300 0.172 0.000 1.347 320 I CB -1.308 36.789 38.000 0.162 0.000 1.044 320 I HN 0.287 nan 8.210 nan 0.000 0.408 321 P HA -0.110 nan 4.420 nan 0.000 0.217 321 P C 1.804 179.149 177.300 0.076 0.000 1.151 321 P CA 1.443 64.607 63.100 0.107 0.000 0.828 321 P CB 0.012 31.771 31.700 0.100 0.000 0.788 322 I N -0.156 120.455 120.570 0.068 0.000 2.113 322 I HA -0.272 3.910 4.170 0.019 0.000 0.238 322 I C 2.402 178.510 176.117 -0.016 0.000 1.070 322 I CA 1.750 63.015 61.300 -0.058 0.000 1.332 322 I CB -1.074 36.811 38.000 -0.192 0.000 1.044 322 I HN -0.099 nan 8.210 nan 0.000 0.402 323 A N 0.318 123.279 122.820 0.235 0.000 1.940 323 A HA -0.214 4.118 4.320 0.019 0.000 0.219 323 A C 2.361 180.060 177.584 0.190 0.000 1.176 323 A CA 2.532 54.784 52.037 0.359 0.000 0.631 323 A CB -1.132 18.112 19.000 0.406 0.000 0.814 323 A HN 0.462 nan 8.150 nan 0.000 0.446 324 T N 0.178 114.815 114.554 0.139 0.000 2.777 324 T HA 0.056 4.417 4.350 0.019 0.000 0.266 324 T C 2.195 176.944 174.700 0.081 0.000 1.040 324 T CA 1.318 63.482 62.100 0.107 0.000 1.141 324 T CB -0.413 68.510 68.868 0.091 0.000 0.868 324 T HN 0.595 nan 8.240 nan 0.000 0.444 325 A N 0.693 123.547 122.820 0.056 0.000 2.019 325 A HA 0.342 4.673 4.320 0.019 0.000 0.219 325 A C 2.048 179.653 177.584 0.034 0.000 1.164 325 A CA 1.492 53.549 52.037 0.033 0.000 0.644 325 A CB -0.918 18.085 19.000 0.005 0.000 0.805 325 A HN 0.923 nan 8.150 nan 0.000 0.449 326 G N -1.454 107.373 108.800 0.044 0.000 2.135 326 G HA2 -0.193 3.779 3.960 0.019 0.000 0.183 326 G HA3 -0.193 3.779 3.960 0.019 0.000 0.183 326 G C 0.340 175.253 174.900 0.021 0.000 1.004 326 G CA 0.391 45.525 45.100 0.055 0.000 0.677 326 G HN 0.412 nan 8.290 nan 0.000 0.512 327 N N -0.394 118.272 118.700 -0.057 0.000 2.463 327 N HA 0.190 4.942 4.740 0.019 0.000 0.181 327 N C 0.628 176.018 175.510 -0.201 0.000 1.078 327 N CA 0.398 53.353 53.050 -0.159 0.000 0.902 327 N CB -0.040 38.296 38.487 -0.252 0.000 0.970 327 N HN 0.448 nan 8.380 nan 0.000 0.451 328 F N 0.582 120.558 119.950 0.043 0.000 2.368 328 F HA 0.320 4.858 4.527 0.019 0.000 0.315 328 F C 1.356 177.177 175.800 0.035 0.000 1.145 328 F CA -1.213 56.815 58.000 0.046 0.000 1.095 328 F CB 0.559 39.594 39.000 0.060 0.000 1.286 328 F HN -0.227 nan 8.300 nan 0.000 0.530 329 S N 0.755 116.622 115.700 0.278 0.000 2.638 329 S HA 0.376 4.858 4.470 0.019 0.000 0.298 329 S C 0.765 175.432 174.600 0.111 0.000 1.111 329 S CA -0.773 57.513 58.200 0.143 0.000 1.027 329 S CB 1.424 64.684 63.200 0.101 0.000 1.064 329 S HN 0.757 nan 8.310 nan 0.000 0.525 330 M N 2.585 122.220 119.600 0.058 0.000 2.089 330 M HA 0.004 4.496 4.480 0.019 0.000 0.257 330 M C 1.901 178.216 176.300 0.025 0.000 1.071 330 M CA 2.630 57.944 55.300 0.023 0.000 1.096 330 M CB -1.299 31.296 32.600 -0.007 0.000 1.330 330 M HN 0.942 nan 8.290 nan 0.000 0.403 331 G N -0.355 108.465 108.800 0.033 0.000 2.421 331 G HA2 -0.263 3.709 3.960 0.019 0.000 0.216 331 G HA3 -0.263 3.709 3.960 0.019 0.000 0.216 331 G C 1.430 176.376 174.900 0.076 0.000 1.171 331 G CA 1.250 46.373 45.100 0.039 0.000 0.775 331 G HN 0.496 nan 8.290 nan 0.000 0.543 332 M N 0.363 120.016 119.600 0.088 0.000 2.117 332 M HA 0.140 4.631 4.480 0.019 0.000 0.262 332 M C 2.401 178.723 176.300 0.037 0.000 1.065 332 M CA 1.063 56.433 55.300 0.117 0.000 1.114 332 M CB -0.502 32.200 32.600 0.170 0.000 1.361 332 M HN 0.184 nan 8.290 nan 0.000 0.408 333 L N -1.378 119.841 121.223 -0.006 0.000 2.012 333 L HA -0.262 4.090 4.340 0.019 0.000 0.210 333 L C 2.236 179.100 176.870 -0.010 0.000 1.073 333 L CA 1.273 56.077 54.840 -0.060 0.000 0.748 333 L CB -0.967 41.082 42.059 -0.017 0.000 0.891 333 L HN 0.152 nan 8.230 nan 0.000 0.431 334 V N -0.421 119.507 119.914 0.023 0.000 2.343 334 V HA -0.337 3.795 4.120 0.019 0.000 0.247 334 V C 2.191 178.359 176.094 0.122 0.000 1.051 334 V CA 2.033 64.362 62.300 0.049 0.000 1.036 334 V CB -0.698 31.141 31.823 0.027 0.000 0.654 334 V HN 0.378 nan 8.190 nan 0.000 0.451 335 F N 0.601 120.547 119.950 -0.007 0.000 2.069 335 F HA -0.247 4.291 4.527 0.019 0.000 0.298 335 F C 2.162 177.955 175.800 -0.012 0.000 1.113 335 F CA 2.028 60.024 58.000 -0.006 0.000 1.214 335 F CB -0.146 38.841 39.000 -0.021 0.000 0.978 335 F HN 0.052 nan 8.300 nan 0.000 0.474 336 I N -0.623 119.789 120.570 -0.263 0.000 2.179 336 I HA -0.292 3.890 4.170 0.019 0.000 0.242 336 I C 2.262 178.240 176.117 -0.231 0.000 1.088 336 I CA 1.470 62.547 61.300 -0.371 0.000 1.357 336 I CB -0.638 37.171 38.000 -0.317 0.000 1.051 336 I HN 0.223 nan 8.210 nan 0.000 0.409 337 F N 1.232 121.047 119.950 -0.226 0.000 2.043 337 F HA -0.278 4.260 4.527 0.020 0.000 0.297 337 F C 2.435 178.153 175.800 -0.137 0.000 1.121 337 F CA 2.006 59.903 58.000 -0.172 0.000 1.199 337 F CB -0.481 38.419 39.000 -0.166 0.000 0.968 337 F HN -0.229 nan 8.300 nan 0.000 0.478 338 V N 0.489 120.418 119.914 0.026 0.000 2.287 338 V HA -0.345 3.786 4.120 0.019 0.000 0.248 338 V C 2.706 178.705 176.094 -0.158 0.000 1.053 338 V CA 1.952 64.234 62.300 -0.029 0.000 1.027 338 V CB -1.631 30.227 31.823 0.059 0.000 0.646 338 V HN 0.522 nan 8.190 nan 0.000 0.447 339 A N -0.346 122.308 122.820 -0.276 0.000 1.908 339 A HA -0.232 4.099 4.320 0.019 0.000 0.218 339 A C 2.391 179.845 177.584 -0.216 0.000 1.181 339 A CA 1.869 53.721 52.037 -0.309 0.000 0.627 339 A CB -0.488 18.144 19.000 -0.614 0.000 0.818 339 A HN 0.507 nan 8.150 nan 0.000 0.445 340 R N -0.854 119.501 120.500 -0.242 0.000 2.090 340 R HA -0.018 4.334 4.340 0.019 0.000 0.228 340 R C 2.057 178.277 176.300 -0.132 0.000 1.110 340 R CA 1.152 57.145 56.100 -0.178 0.000 0.973 340 R CB -0.498 29.682 30.300 -0.199 0.000 0.869 340 R HN 0.397 nan 8.270 nan 0.000 0.440 341 V N 1.720 121.512 119.914 -0.203 0.000 2.282 341 V HA -0.293 3.839 4.120 0.019 0.000 0.249 341 V C 2.281 178.413 176.094 0.063 0.000 1.057 341 V CA 1.903 64.197 62.300 -0.009 0.000 1.032 341 V CB -0.378 31.442 31.823 -0.004 0.000 0.645 341 V HN 0.259 nan 8.190 nan 0.000 0.447 342 I N 0.717 121.274 120.570 -0.022 0.000 2.163 342 I HA -0.254 3.927 4.170 0.019 0.000 0.243 342 I C 2.663 178.787 176.117 0.011 0.000 1.085 342 I CA 2.194 63.480 61.300 -0.023 0.000 1.347 342 I CB -0.684 37.288 38.000 -0.047 0.000 1.044 342 I HN 0.528 nan 8.210 nan 0.000 0.408 343 T N -3.345 111.212 114.554 0.005 0.000 3.023 343 T HA -0.051 4.310 4.350 0.019 0.000 0.266 343 T C 1.722 176.470 174.700 0.081 0.000 1.093 343 T CA 1.335 63.457 62.100 0.037 0.000 1.129 343 T CB -0.470 68.410 68.868 0.020 0.000 0.899 343 T HN 0.201 nan 8.240 nan 0.000 0.491 344 T N 2.479 117.089 114.554 0.094 0.000 2.732 344 T HA 0.209 4.570 4.350 0.019 0.000 0.261 344 T C 1.876 176.694 174.700 0.196 0.000 1.040 344 T CA 0.942 63.134 62.100 0.154 0.000 1.145 344 T CB -0.468 68.507 68.868 0.178 0.000 0.866 344 T HN 0.274 nan 8.240 nan 0.000 0.427 345 L N 0.393 121.711 121.223 0.158 0.000 2.129 345 L HA -0.113 4.239 4.340 0.019 0.000 0.212 345 L C 2.372 179.313 176.870 0.117 0.000 1.087 345 L CA 0.747 55.648 54.840 0.102 0.000 0.757 345 L CB -0.543 41.528 42.059 0.019 0.000 0.896 345 L HN 0.205 nan 8.230 nan 0.000 0.434 346 L N -0.785 120.501 121.223 0.106 0.000 2.034 346 L HA -0.142 4.210 4.340 0.019 0.000 0.203 346 L C 2.592 179.558 176.870 0.161 0.000 1.074 346 L CA 1.611 56.512 54.840 0.101 0.000 0.748 346 L CB -0.646 41.456 42.059 0.072 0.000 0.905 346 L HN 0.229 nan 8.230 nan 0.000 0.439 347 C N -1.114 118.298 119.300 0.186 0.000 2.413 347 C HA -0.198 4.273 4.460 0.019 0.000 0.277 347 C C 2.657 177.812 174.990 0.274 0.000 1.265 347 C CA 0.893 60.050 59.018 0.232 0.000 1.752 347 C CB -1.061 26.801 27.740 0.205 0.000 1.998 347 C HN 0.611 nan 8.230 nan 0.000 0.489 348 F N 1.486 121.513 119.950 0.128 0.000 2.220 348 F HA 0.008 4.546 4.527 0.019 0.000 0.290 348 F C 2.423 178.298 175.800 0.126 0.000 1.080 348 F CA 1.657 59.730 58.000 0.122 0.000 1.318 348 F CB -0.479 38.590 39.000 0.114 0.000 1.063 348 F HN -0.011 nan 8.300 nan 0.000 0.498 349 S N -0.022 115.763 115.700 0.141 0.000 2.474 349 S HA -0.141 4.340 4.470 0.019 0.000 0.235 349 S C 2.010 176.633 174.600 0.039 0.000 0.997 349 S CA 1.055 59.269 58.200 0.022 0.000 0.949 349 S CB -0.707 62.545 63.200 0.087 0.000 0.766 349 S HN 0.571 nan 8.310 nan 0.000 0.517 350 S N 0.841 116.620 115.700 0.132 0.000 2.515 350 S HA 0.220 4.701 4.470 0.019 0.000 0.231 350 S C 1.512 176.386 174.600 0.456 0.000 0.987 350 S CA 0.570 58.948 58.200 0.296 0.000 0.936 350 S CB -0.524 62.919 63.200 0.405 0.000 0.766 350 S HN 0.752 nan 8.310 nan 0.000 0.528 351 G N 0.986 109.870 108.800 0.140 0.000 2.182 351 G HA2 -0.032 3.940 3.960 0.019 0.000 0.248 351 G HA3 -0.032 3.940 3.960 0.019 0.000 0.248 351 G C 0.175 174.999 174.900 -0.126 0.000 1.042 351 G CA -0.059 45.061 45.100 0.034 0.000 0.775 351 G HN 1.196 nan 8.290 nan 0.000 0.501 352 A N 0.459 123.122 122.820 -0.263 0.000 2.386 352 A HA 0.702 5.034 4.320 0.019 0.000 0.248 352 A C -1.313 176.107 177.584 -0.273 0.000 1.082 352 A CA -0.849 50.831 52.037 -0.596 0.000 0.789 352 A CB 0.369 19.046 19.000 -0.539 0.000 1.025 352 A HN 0.276 nan 8.150 nan 0.000 0.490 353 P HA 0.365 nan 4.420 nan 0.000 0.264 353 P C 0.098 177.410 177.300 0.020 0.000 1.229 353 P CA 0.834 63.884 63.100 -0.083 0.000 0.780 353 P CB 0.388 32.053 31.700 -0.058 0.000 0.808 354 G N 1.913 110.767 108.800 0.089 0.000 2.384 354 G HA2 0.472 4.444 3.960 0.019 0.000 0.300 354 G HA3 0.472 4.444 3.960 0.019 0.000 0.300 354 G C -0.946 174.144 174.900 0.315 0.000 1.582 354 G CA -0.421 44.788 45.100 0.183 0.000 0.875 354 G HN 0.530 nan 8.290 nan 0.000 0.628 355 G N -0.910 108.058 108.800 0.279 0.000 2.437 355 G HA2 0.554 4.525 3.960 0.019 0.000 0.319 355 G HA3 0.554 4.525 3.960 0.019 0.000 0.319 355 G C 0.609 175.624 174.900 0.191 0.000 1.158 355 G CA -0.542 44.742 45.100 0.308 0.000 0.899 355 G HN 0.943 nan 8.290 nan 0.000 0.502 356 I N 0.698 121.231 120.570 -0.060 0.000 3.860 356 I HA 0.209 4.391 4.170 0.019 0.000 0.319 356 I C 1.596 177.703 176.117 -0.017 0.000 1.279 356 I CA -0.298 60.820 61.300 -0.304 0.000 1.220 356 I CB -0.008 37.413 38.000 -0.966 0.000 1.027 356 I HN 0.583 nan 8.210 nan 0.000 0.428 357 F N 1.418 121.381 119.950 0.022 0.000 2.084 357 F HA -0.190 4.349 4.527 0.019 0.000 0.296 357 F C 2.458 178.286 175.800 0.047 0.000 1.111 357 F CA 2.061 60.101 58.000 0.066 0.000 1.224 357 F CB -0.155 38.938 39.000 0.155 0.000 0.991 357 F HN 0.098 nan 8.300 nan 0.000 0.471 358 A N 0.020 123.057 122.820 0.362 0.000 1.929 358 A HA -0.034 4.297 4.320 0.019 0.000 0.216 358 A C -0.348 177.196 177.584 -0.066 0.000 1.176 358 A CA 1.270 53.409 52.037 0.170 0.000 0.628 358 A CB -2.048 17.074 19.000 0.203 0.000 0.816 358 A HN 0.287 nan 8.150 nan 0.000 0.444 359 P HA -0.193 nan 4.420 nan 0.000 0.217 359 P C 1.582 178.818 177.300 -0.107 0.000 1.151 359 P CA 1.408 64.471 63.100 -0.062 0.000 0.849 359 P CB -0.178 31.517 31.700 -0.008 0.000 0.787 360 M N -2.149 117.370 119.600 -0.136 0.000 2.394 360 M HA -0.070 4.421 4.480 0.019 0.000 0.264 360 M C 1.874 178.066 176.300 -0.180 0.000 1.073 360 M CA 1.290 56.473 55.300 -0.196 0.000 1.111 360 M CB -0.542 31.888 32.600 -0.283 0.000 1.401 360 M HN -0.018 nan 8.290 nan 0.000 0.448 361 L N -0.647 120.469 121.223 -0.179 0.000 2.072 361 L HA -0.089 4.263 4.340 0.019 0.000 0.205 361 L C 2.791 179.607 176.870 -0.090 0.000 1.079 361 L CA 0.981 55.733 54.840 -0.147 0.000 0.752 361 L CB -0.814 41.165 42.059 -0.133 0.000 0.906 361 L HN 0.246 nan 8.230 nan 0.000 0.436 362 A N 0.265 123.018 122.820 -0.111 0.000 1.873 362 A HA -0.131 4.201 4.320 0.019 0.000 0.215 362 A C 2.247 179.821 177.584 -0.017 0.000 1.186 362 A CA 1.236 53.231 52.037 -0.070 0.000 0.616 362 A CB -0.701 18.235 19.000 -0.107 0.000 0.823 362 A HN 0.310 nan 8.150 nan 0.000 0.442 363 L N -0.571 120.625 121.223 -0.046 0.000 2.079 363 L HA -0.148 4.203 4.340 0.019 0.000 0.210 363 L C 2.800 179.782 176.870 0.186 0.000 1.081 363 L CA 1.141 55.979 54.840 -0.003 0.000 0.752 363 L CB -0.678 41.277 42.059 -0.174 0.000 0.896 363 L HN 0.507 nan 8.230 nan 0.000 0.433 364 G N -1.119 107.782 108.800 0.169 0.000 2.402 364 G HA2 -0.209 3.763 3.960 0.019 0.000 0.216 364 G HA3 -0.209 3.763 3.960 0.019 0.000 0.216 364 G C 1.567 176.624 174.900 0.261 0.000 1.162 364 G CA 1.162 46.457 45.100 0.325 0.000 0.777 364 G HN 0.286 nan 8.290 nan 0.000 0.539 365 T N 0.978 115.607 114.554 0.124 0.000 2.708 365 T HA -0.110 4.251 4.350 0.019 0.000 0.266 365 T C 2.553 177.338 174.700 0.141 0.000 1.037 365 T CA 1.253 63.421 62.100 0.114 0.000 1.146 365 T CB -0.320 68.598 68.868 0.083 0.000 0.865 365 T HN 0.052 nan 8.240 nan 0.000 0.435 366 V N 1.664 121.658 119.914 0.134 0.000 2.233 366 V HA -0.138 3.994 4.120 0.019 0.000 0.247 366 V C 2.449 178.583 176.094 0.067 0.000 1.050 366 V CA 1.507 63.874 62.300 0.112 0.000 1.010 366 V CB -0.792 31.105 31.823 0.123 0.000 0.637 366 V HN 0.312 nan 8.190 nan 0.000 0.444 367 L N 1.265 122.523 121.223 0.058 0.000 2.081 367 L HA -0.120 4.231 4.340 0.019 0.000 0.212 367 L C 2.265 179.143 176.870 0.014 0.000 1.080 367 L CA 2.498 57.229 54.840 -0.181 0.000 0.754 367 L CB -1.331 40.490 42.059 -0.397 0.000 0.893 367 L HN 0.303 nan 8.230 nan 0.000 0.433 368 G N -2.309 106.616 108.800 0.208 0.000 2.404 368 G HA2 -0.216 3.755 3.960 0.019 0.000 0.215 368 G HA3 -0.216 3.755 3.960 0.019 0.000 0.215 368 G C 1.415 176.450 174.900 0.226 0.000 1.174 368 G CA 1.037 46.289 45.100 0.253 0.000 0.780 368 G HN 0.432 nan 8.290 nan 0.000 0.537 369 T N 1.994 116.650 114.554 0.169 0.000 2.684 369 T HA -0.059 4.303 4.350 0.019 0.000 0.267 369 T C 2.814 177.569 174.700 0.091 0.000 1.036 369 T CA 1.690 63.880 62.100 0.149 0.000 1.148 369 T CB -0.525 68.429 68.868 0.144 0.000 0.863 369 T HN 0.379 nan 8.240 nan 0.000 0.436 370 A N 1.278 124.121 122.820 0.039 0.000 1.873 370 A HA -0.143 4.188 4.320 0.019 0.000 0.218 370 A C 2.047 179.597 177.584 -0.057 0.000 1.193 370 A CA 1.848 53.863 52.037 -0.036 0.000 0.629 370 A CB -1.247 17.679 19.000 -0.122 0.000 0.826 370 A HN 0.483 nan 8.150 nan 0.000 0.447 371 F N 0.961 120.808 119.950 -0.173 0.000 2.161 371 F HA -0.097 4.441 4.527 0.019 0.000 0.300 371 F C 2.324 177.889 175.800 -0.392 0.000 1.089 371 F CA 1.442 59.285 58.000 -0.261 0.000 1.282 371 F CB -0.569 38.293 39.000 -0.231 0.000 1.010 371 F HN 0.243 nan 8.300 nan 0.000 0.485 372 G N 0.404 109.153 108.800 -0.085 0.000 2.511 372 G HA2 -0.322 3.649 3.960 0.019 0.000 0.216 372 G HA3 -0.322 3.649 3.960 0.019 0.000 0.216 372 G C 1.670 176.448 174.900 -0.204 0.000 1.218 372 G CA 1.191 46.189 45.100 -0.170 0.000 0.788 372 G HN 0.361 nan 8.290 nan 0.000 0.560 373 M N -0.133 119.408 119.600 -0.099 0.000 2.103 373 M HA -0.175 4.317 4.480 0.019 0.000 0.255 373 M C 2.675 178.885 176.300 -0.150 0.000 1.074 373 M CA 1.421 56.669 55.300 -0.087 0.000 1.090 373 M CB -0.541 32.030 32.600 -0.048 0.000 1.325 373 M HN 0.147 nan 8.290 nan 0.000 0.403 374 V N -0.084 119.686 119.914 -0.241 0.000 2.427 374 V HA -0.216 3.916 4.120 0.019 0.000 0.248 374 V C 2.578 178.497 176.094 -0.291 0.000 1.051 374 V CA 1.877 64.014 62.300 -0.272 0.000 1.048 374 V CB -1.215 30.400 31.823 -0.347 0.000 0.666 374 V HN 0.535 nan 8.190 nan 0.000 0.456 375 A N -0.168 122.372 122.820 -0.467 0.000 1.898 375 A HA -0.139 4.193 4.320 0.019 0.000 0.216 375 A C 2.410 179.938 177.584 -0.095 0.000 1.181 375 A CA 1.865 53.659 52.037 -0.405 0.000 0.620 375 A CB -0.701 17.780 19.000 -0.864 0.000 0.819 375 A HN 0.301 nan 8.150 nan 0.000 0.442 376 V N 0.323 120.170 119.914 -0.111 0.000 2.282 376 V HA -0.308 3.824 4.120 0.019 0.000 0.249 376 V C 2.497 178.596 176.094 0.009 0.000 1.057 376 V CA 2.487 64.785 62.300 -0.004 0.000 1.032 376 V CB -0.729 31.092 31.823 -0.003 0.000 0.645 376 V HN 0.639 nan 8.190 nan 0.000 0.447 377 E N -0.470 119.711 120.200 -0.030 0.000 2.051 377 E HA -0.067 4.294 4.350 0.019 0.000 0.189 377 E C 2.248 178.811 176.600 -0.061 0.000 0.979 377 E CA 0.856 57.230 56.400 -0.045 0.000 0.803 377 E CB -0.126 29.537 29.700 -0.062 0.000 0.761 377 E HN 0.481 nan 8.360 nan 0.000 0.451 378 L N -0.010 121.180 121.223 -0.056 0.000 2.201 378 L HA -0.087 4.265 4.340 0.019 0.000 0.212 378 L C 0.422 177.071 176.870 -0.367 0.000 1.105 378 L CA 0.780 55.514 54.840 -0.177 0.000 0.775 378 L CB 0.054 42.038 42.059 -0.126 0.000 0.913 378 L HN 0.033 nan 8.230 nan 0.000 0.440 379 F N -0.358 119.538 119.950 -0.090 0.000 2.550 379 F HA 0.300 4.839 4.527 0.019 0.000 0.348 379 F C -1.599 174.138 175.800 -0.105 0.000 1.219 379 F CA -2.071 55.862 58.000 -0.112 0.000 1.203 379 F CB 0.416 39.399 39.000 -0.029 0.000 1.436 379 F HN -0.165 nan 8.300 nan 0.000 0.541 380 P HA -0.144 nan 4.420 nan 0.000 0.237 380 P C 1.011 178.266 177.300 -0.075 0.000 1.178 380 P CA 0.875 63.951 63.100 -0.040 0.000 0.766 380 P CB 0.295 31.954 31.700 -0.068 0.000 0.876 381 Q N -1.310 118.435 119.800 -0.091 0.000 2.424 381 Q HA -0.081 4.270 4.340 0.019 0.000 0.204 381 Q C 1.464 177.472 176.000 0.012 0.000 0.933 381 Q CA 0.776 56.523 55.803 -0.094 0.000 0.929 381 Q CB -0.863 27.801 28.738 -0.122 0.000 1.037 381 Q HN 0.344 nan 8.270 nan 0.000 0.511 382 Y N 0.599 120.939 120.300 0.068 0.000 2.347 382 Y HA -0.029 4.532 4.550 0.019 0.000 0.294 382 Y C -0.191 175.848 175.900 0.231 0.000 1.117 382 Y CA 0.325 58.523 58.100 0.163 0.000 1.184 382 Y CB 0.316 38.874 38.460 0.163 0.000 1.047 382 Y HN 0.325 nan 8.280 nan 0.000 0.546 383 H N -0.581 118.639 119.070 0.250 0.000 3.286 383 H HA -0.070 4.498 4.556 0.019 0.000 0.372 383 H C -1.347 174.073 175.328 0.153 0.000 1.304 383 H CA -0.085 56.058 56.048 0.159 0.000 1.285 383 H CB -1.983 27.852 29.762 0.121 0.000 1.529 383 H HN 0.141 nan 8.280 nan 0.000 0.449 384 L N 0.865 122.220 121.223 0.220 0.000 2.334 384 L HA 0.511 4.863 4.340 0.019 0.000 0.276 384 L C 0.518 177.503 176.870 0.193 0.000 1.014 384 L CA -0.538 54.443 54.840 0.235 0.000 0.815 384 L CB 2.131 44.342 42.059 0.253 0.000 1.268 384 L HN 0.411 nan 8.230 nan 0.000 0.428 385 E N 0.822 121.146 120.200 0.205 0.000 2.158 385 E HA 0.406 4.768 4.350 0.019 0.000 0.271 385 E C 0.314 177.061 176.600 0.246 0.000 0.911 385 E CA -0.324 56.176 56.400 0.167 0.000 0.767 385 E CB 2.042 31.808 29.700 0.111 0.000 1.120 385 E HN 0.734 nan 8.360 nan 0.000 0.405 386 A N 3.536 126.476 122.820 0.200 0.000 1.978 386 A HA -0.130 4.201 4.320 0.019 0.000 0.220 386 A C 1.857 179.587 177.584 0.244 0.000 1.170 386 A CA 1.779 53.951 52.037 0.224 0.000 0.636 386 A CB -0.617 18.457 19.000 0.123 0.000 0.810 386 A HN 0.762 nan 8.150 nan 0.000 0.448 387 G N -0.606 108.293 108.800 0.165 0.000 2.471 387 G HA2 -0.133 3.838 3.960 0.019 0.000 0.219 387 G HA3 -0.133 3.838 3.960 0.019 0.000 0.219 387 G C 1.605 176.567 174.900 0.103 0.000 1.125 387 G CA 1.790 46.965 45.100 0.126 0.000 0.775 387 G HN 0.681 nan 8.290 nan 0.000 0.548 388 T N -1.874 112.730 114.554 0.084 0.000 2.985 388 T HA 0.068 4.429 4.350 0.019 0.000 0.266 388 T C 1.964 176.630 174.700 -0.056 0.000 1.076 388 T CA 0.422 62.505 62.100 -0.029 0.000 1.135 388 T CB -0.360 68.445 68.868 -0.106 0.000 0.890 388 T HN 0.170 nan 8.240 nan 0.000 0.480 389 F N 1.764 121.786 119.950 0.121 0.000 2.456 389 F HA 0.440 4.978 4.527 0.019 0.000 0.298 389 F C 2.776 178.620 175.800 0.074 0.000 1.104 389 F CA 0.218 58.254 58.000 0.061 0.000 1.435 389 F CB -0.528 38.475 39.000 0.005 0.000 1.078 389 F HN 0.237 nan 8.300 nan 0.000 0.546 390 A N 0.602 123.555 122.820 0.222 0.000 1.877 390 A HA -0.134 4.198 4.320 0.019 0.000 0.216 390 A C 2.221 179.856 177.584 0.086 0.000 1.186 390 A CA 1.522 53.650 52.037 0.153 0.000 0.620 390 A CB -0.953 18.129 19.000 0.137 0.000 0.822 390 A HN 0.361 nan 8.150 nan 0.000 0.443 391 I N -0.368 120.231 120.570 0.050 0.000 2.252 391 I HA -0.240 3.942 4.170 0.019 0.000 0.245 391 I C 2.884 178.971 176.117 -0.050 0.000 1.102 391 I CA 1.033 62.327 61.300 -0.010 0.000 1.385 391 I CB -0.222 37.757 38.000 -0.035 0.000 1.064 391 I HN 0.352 nan 8.210 nan 0.000 0.414 392 A N 0.465 123.271 122.820 -0.024 0.000 2.067 392 A HA -0.057 4.275 4.320 0.019 0.000 0.219 392 A C 2.321 179.813 177.584 -0.154 0.000 1.158 392 A CA 1.632 53.634 52.037 -0.057 0.000 0.661 392 A CB -1.051 18.006 19.000 0.096 0.000 0.801 392 A HN 0.478 nan 8.150 nan 0.000 0.452 393 G N -1.066 107.668 108.800 -0.110 0.000 2.453 393 G HA2 -0.068 3.904 3.960 0.019 0.000 0.215 393 G HA3 -0.068 3.904 3.960 0.019 0.000 0.215 393 G C 1.504 176.211 174.900 -0.322 0.000 1.147 393 G CA 0.822 45.756 45.100 -0.276 0.000 0.802 393 G HN 0.442 nan 8.290 nan 0.000 0.535 394 M N 1.059 120.576 119.600 -0.138 0.000 2.089 394 M HA -0.078 4.413 4.480 0.019 0.000 0.257 394 M C 2.179 178.356 176.300 -0.204 0.000 1.071 394 M CA 2.105 57.336 55.300 -0.116 0.000 1.096 394 M CB -0.147 32.411 32.600 -0.070 0.000 1.330 394 M HN 0.191 nan 8.290 nan 0.000 0.403 395 G N -1.858 106.792 108.800 -0.251 0.000 3.189 395 G HA2 0.371 4.343 3.960 0.019 0.000 0.225 395 G HA3 0.371 4.343 3.960 0.019 0.000 0.225 395 G C 1.052 175.743 174.900 -0.348 0.000 1.159 395 G CA 0.417 45.356 45.100 -0.268 0.000 0.763 395 G HN 0.589 nan 8.290 nan 0.000 0.549 396 A N 0.123 122.600 122.820 -0.572 0.000 2.081 396 A HA 0.318 4.650 4.320 0.019 0.000 0.214 396 A C 2.009 179.259 177.584 -0.557 0.000 1.158 396 A CA 0.496 52.064 52.037 -0.780 0.000 0.724 396 A CB -0.051 18.070 19.000 -1.465 0.000 0.826 396 A HN 0.326 nan 8.150 nan 0.000 0.463 397 L N -0.186 120.826 121.223 -0.353 0.000 2.179 397 L HA 0.078 4.429 4.340 0.019 0.000 0.208 397 L C 2.108 178.893 176.870 -0.142 0.000 1.096 397 L CA 1.276 56.113 54.840 -0.005 0.000 0.779 397 L CB -0.428 41.676 42.059 0.075 0.000 0.922 397 L HN 0.385 nan 8.230 nan 0.000 0.443 398 L N -0.876 120.194 121.223 -0.255 0.000 2.083 398 L HA -0.180 4.172 4.340 0.019 0.000 0.209 398 L C 2.570 179.346 176.870 -0.158 0.000 1.083 398 L CA 1.152 55.819 54.840 -0.288 0.000 0.752 398 L CB -0.960 40.872 42.059 -0.378 0.000 0.899 398 L HN 0.333 nan 8.230 nan 0.000 0.433 399 A N -0.175 122.559 122.820 -0.144 0.000 1.968 399 A HA 0.018 4.350 4.320 0.019 0.000 0.217 399 A C 2.418 179.967 177.584 -0.058 0.000 1.169 399 A CA 1.486 53.471 52.037 -0.087 0.000 0.638 399 A CB -0.385 18.553 19.000 -0.103 0.000 0.812 399 A HN 0.382 nan 8.150 nan 0.000 0.446 400 A N -1.840 120.954 122.820 -0.043 0.000 2.044 400 A HA 0.280 4.612 4.320 0.019 0.000 0.213 400 A C 2.180 179.743 177.584 -0.035 0.000 1.169 400 A CA 1.542 53.577 52.037 -0.004 0.000 0.724 400 A CB -0.116 18.938 19.000 0.089 0.000 0.840 400 A HN 0.381 nan 8.150 nan 0.000 0.463 401 S N -0.749 114.915 115.700 -0.061 0.000 2.748 401 S HA 0.169 4.650 4.470 0.019 0.000 0.241 401 S C 1.583 176.103 174.600 -0.133 0.000 1.064 401 S CA 0.294 58.445 58.200 -0.081 0.000 0.892 401 S CB -0.093 63.081 63.200 -0.044 0.000 0.810 401 S HN 0.343 nan 8.310 nan 0.000 0.555 402 I N 1.801 122.268 120.570 -0.172 0.000 2.394 402 I HA 0.073 4.255 4.170 0.019 0.000 0.251 402 I C 0.351 176.437 176.117 -0.052 0.000 1.136 402 I CA 0.919 62.108 61.300 -0.186 0.000 1.425 402 I CB -1.068 36.857 38.000 -0.124 0.000 1.079 402 I HN 0.311 nan 8.210 nan 0.000 0.425 403 R N 0.454 120.928 120.500 -0.043 0.000 3.267 403 R HA -0.173 4.179 4.340 0.019 0.000 0.254 403 R C 0.143 176.463 176.300 0.034 0.000 0.993 403 R CA 0.784 56.875 56.100 -0.016 0.000 0.670 403 R CB -2.574 27.709 30.300 -0.028 0.000 1.125 403 R HN 0.428 nan 8.270 nan 0.000 0.434 404 A N 0.181 123.040 122.820 0.065 0.000 3.258 404 A HA 0.455 4.786 4.320 0.019 0.000 0.318 404 A C -1.102 176.536 177.584 0.090 0.000 0.990 404 A CA -0.984 51.133 52.037 0.134 0.000 0.885 404 A CB 0.852 20.041 19.000 0.315 0.000 1.090 404 A HN 0.003 nan 8.150 nan 0.000 0.479 405 P HA -0.170 nan 4.420 nan 0.000 0.215 405 P C 1.390 178.698 177.300 0.014 0.000 1.157 405 P CA 0.938 64.037 63.100 -0.001 0.000 0.868 405 P CB 0.236 31.931 31.700 -0.009 0.000 0.788 406 L N -0.418 120.831 121.223 0.043 0.000 2.083 406 L HA -0.105 4.247 4.340 0.019 0.000 0.209 406 L C 2.684 179.591 176.870 0.061 0.000 1.083 406 L CA 2.040 56.907 54.840 0.044 0.000 0.752 406 L CB -2.031 40.060 42.059 0.053 0.000 0.899 406 L HN -0.001 nan 8.230 nan 0.000 0.433 407 T N -0.758 113.867 114.554 0.118 0.000 2.622 407 T HA -0.167 4.195 4.350 0.019 0.000 0.266 407 T C 1.890 176.636 174.700 0.078 0.000 1.047 407 T CA 1.441 63.633 62.100 0.154 0.000 1.159 407 T CB -0.981 68.081 68.868 0.324 0.000 0.863 407 T HN 0.506 nan 8.240 nan 0.000 0.422 408 G N 1.641 110.471 108.800 0.049 0.000 2.631 408 G HA2 -0.269 3.703 3.960 0.019 0.000 0.219 408 G HA3 -0.269 3.703 3.960 0.019 0.000 0.219 408 G C 1.509 176.363 174.900 -0.077 0.000 1.214 408 G CA 1.238 46.307 45.100 -0.052 0.000 0.785 408 G HN 0.501 nan 8.290 nan 0.000 0.596 409 I N 0.834 121.366 120.570 -0.064 0.000 2.068 409 I HA -0.245 3.936 4.170 0.019 0.000 0.238 409 I C 2.671 178.745 176.117 -0.071 0.000 1.046 409 I CA 1.207 62.466 61.300 -0.068 0.000 1.306 409 I CB -0.263 37.715 38.000 -0.036 0.000 1.023 409 I HN 0.111 nan 8.210 nan 0.000 0.399 410 I N -0.030 120.518 120.570 -0.036 0.000 2.361 410 I HA -0.241 3.941 4.170 0.019 0.000 0.251 410 I C 2.463 178.545 176.117 -0.058 0.000 1.133 410 I CA 1.363 62.642 61.300 -0.034 0.000 1.413 410 I CB -1.264 36.742 38.000 0.009 0.000 1.073 410 I HN 0.302 nan 8.210 nan 0.000 0.424 411 L N 1.015 122.203 121.223 -0.059 0.000 1.976 411 L HA -0.140 4.212 4.340 0.019 0.000 0.209 411 L C 2.549 179.343 176.870 -0.128 0.000 1.071 411 L CA 1.794 56.576 54.840 -0.097 0.000 0.746 411 L CB -0.828 41.157 42.059 -0.124 0.000 0.890 411 L HN -0.023 nan 8.230 nan 0.000 0.432 412 V N -0.491 119.342 119.914 -0.135 0.000 2.332 412 V HA -0.288 3.844 4.120 0.019 0.000 0.248 412 V C 2.581 178.573 176.094 -0.170 0.000 1.055 412 V CA 1.640 63.859 62.300 -0.136 0.000 1.038 412 V CB -0.756 30.986 31.823 -0.135 0.000 0.651 412 V HN 0.409 nan 8.190 nan 0.000 0.450 413 L N -0.133 120.954 121.223 -0.227 0.000 2.046 413 L HA -0.142 4.210 4.340 0.019 0.000 0.208 413 L C 2.425 179.019 176.870 -0.460 0.000 1.077 413 L CA 1.842 56.419 54.840 -0.439 0.000 0.747 413 L CB -0.800 40.969 42.059 -0.483 0.000 0.896 413 L HN 0.387 nan 8.230 nan 0.000 0.432 414 E N -1.679 118.398 120.200 -0.205 0.000 2.158 414 E HA -0.157 4.205 4.350 0.019 0.000 0.191 414 E C 2.221 178.800 176.600 -0.036 0.000 0.982 414 E CA 0.845 57.215 56.400 -0.050 0.000 0.823 414 E CB -0.020 29.682 29.700 0.002 0.000 0.766 414 E HN 0.451 nan 8.360 nan 0.000 0.468 415 M N 0.124 119.688 119.600 -0.059 0.000 2.288 415 M HA -0.080 4.411 4.480 0.019 0.000 0.266 415 M C 2.354 178.651 176.300 -0.006 0.000 1.072 415 M CA 1.391 56.680 55.300 -0.018 0.000 1.132 415 M CB 0.015 32.613 32.600 -0.003 0.000 1.386 415 M HN 0.163 nan 8.290 nan 0.000 0.432 416 T N -4.298 110.231 114.554 -0.042 0.000 3.051 416 T HA 0.013 4.374 4.350 0.019 0.000 0.255 416 T C 0.857 175.542 174.700 -0.024 0.000 1.085 416 T CA 0.653 62.737 62.100 -0.027 0.000 1.109 416 T CB 0.199 69.037 68.868 -0.049 0.000 0.921 416 T HN 0.282 nan 8.240 nan 0.000 0.488 417 D N 1.048 121.414 120.400 -0.056 0.000 2.946 417 D HA -0.158 4.493 4.640 0.019 0.000 0.202 417 D C -0.430 175.890 176.300 0.032 0.000 1.068 417 D CA 0.625 54.645 54.000 0.033 0.000 1.011 417 D CB -1.991 38.872 40.800 0.105 0.000 1.105 417 D HN 0.563 nan 8.370 nan 0.000 0.425 418 N N 0.747 119.401 118.700 -0.077 0.000 2.819 418 N HA 0.003 4.755 4.740 0.019 0.000 0.284 418 N C 0.582 176.047 175.510 -0.075 0.000 1.196 418 N CA 0.012 53.038 53.050 -0.041 0.000 1.114 418 N CB -0.183 38.270 38.487 -0.058 0.000 1.437 418 N HN 0.324 nan 8.380 nan 0.000 0.518 419 Y N 1.071 121.393 120.300 0.038 0.000 2.571 419 Y HA -0.136 4.425 4.550 0.019 0.000 0.294 419 Y C 2.661 178.648 175.900 0.145 0.000 1.141 419 Y CA 0.725 58.879 58.100 0.090 0.000 1.308 419 Y CB 0.201 38.707 38.460 0.077 0.000 1.002 419 Y HN 0.483 nan 8.280 nan 0.000 0.551 420 Q N 0.340 120.234 119.800 0.157 0.000 2.297 420 Q HA -0.104 4.248 4.340 0.019 0.000 0.204 420 Q C 1.221 177.142 176.000 -0.132 0.000 0.962 420 Q CA 1.387 57.212 55.803 0.038 0.000 0.879 420 Q CB -0.502 28.235 28.738 -0.003 0.000 0.947 420 Q HN 0.546 nan 8.270 nan 0.000 0.462 421 L N 1.477 122.624 121.223 -0.126 0.000 2.611 421 L HA 0.106 4.458 4.340 0.019 0.000 0.229 421 L C 2.109 178.825 176.870 -0.256 0.000 1.137 421 L CA -0.266 54.419 54.840 -0.258 0.000 0.901 421 L CB -0.551 41.368 42.059 -0.234 0.000 1.098 421 L HN 0.356 nan 8.230 nan 0.000 0.456 422 W N -0.223 120.985 121.300 -0.153 0.000 2.350 422 W HA -0.254 4.417 4.660 0.019 0.000 0.289 422 W C 1.579 178.007 176.519 -0.151 0.000 1.215 422 W CA 0.465 57.731 57.345 -0.132 0.000 1.236 422 W CB -0.499 28.932 29.460 -0.049 0.000 1.130 422 W HN 0.228 nan 8.180 nan 0.000 0.541 423 L N 2.824 123.597 121.223 -0.752 0.000 2.095 423 L HA 0.068 4.420 4.340 0.019 0.000 0.204 423 L C -0.471 176.138 176.870 -0.436 0.000 1.080 423 L CA 1.477 55.905 54.840 -0.686 0.000 0.759 423 L CB -1.954 39.452 42.059 -1.088 0.000 0.914 423 L HN -0.322 nan 8.230 nan 0.000 0.439 424 P HA -0.159 nan 4.420 nan 0.000 0.216 424 P C 1.925 178.901 177.300 -0.541 0.000 1.150 424 P CA 1.849 64.453 63.100 -0.827 0.000 0.837 424 P CB -0.107 30.625 31.700 -1.614 0.000 0.786 425 M N -1.649 117.718 119.600 -0.389 0.000 2.159 425 M HA -0.110 4.381 4.480 0.019 0.000 0.263 425 M C 2.208 178.445 176.300 -0.105 0.000 1.063 425 M CA 1.656 56.833 55.300 -0.204 0.000 1.110 425 M CB -0.759 31.749 32.600 -0.153 0.000 1.374 425 M HN -0.150 nan 8.290 nan 0.000 0.411 426 I N 0.124 120.666 120.570 -0.047 0.000 2.252 426 I HA -0.277 3.905 4.170 0.019 0.000 0.245 426 I C 2.187 178.300 176.117 -0.008 0.000 1.102 426 I CA 1.265 62.574 61.300 0.015 0.000 1.385 426 I CB -0.194 37.878 38.000 0.121 0.000 1.064 426 I HN 0.228 nan 8.210 nan 0.000 0.414 427 I N 0.182 120.730 120.570 -0.036 0.000 2.208 427 I HA -0.307 3.874 4.170 0.019 0.000 0.245 427 I C 2.454 178.576 176.117 0.007 0.000 1.097 427 I CA 1.590 62.885 61.300 -0.008 0.000 1.363 427 I CB -0.576 37.414 38.000 -0.016 0.000 1.051 427 I HN 0.229 nan 8.210 nan 0.000 0.413 428 T N 0.255 114.802 114.554 -0.012 0.000 2.746 428 T HA -0.117 4.245 4.350 0.019 0.000 0.267 428 T C 1.920 176.589 174.700 -0.052 0.000 1.039 428 T CA 1.492 63.581 62.100 -0.018 0.000 1.142 428 T CB -0.730 68.115 68.868 -0.038 0.000 0.866 428 T HN 0.582 nan 8.240 nan 0.000 0.444 429 G N 1.188 109.949 108.800 -0.065 0.000 2.402 429 G HA2 -0.095 3.876 3.960 0.019 0.000 0.216 429 G HA3 -0.095 3.876 3.960 0.019 0.000 0.216 429 G C 1.511 176.397 174.900 -0.024 0.000 1.162 429 G CA 0.480 45.541 45.100 -0.064 0.000 0.777 429 G HN 0.369 nan 8.290 nan 0.000 0.539 430 L N 1.643 122.865 121.223 -0.002 0.000 2.017 430 L HA 0.110 4.461 4.340 0.019 0.000 0.208 430 L C 2.869 179.757 176.870 0.029 0.000 1.073 430 L CA 2.351 57.201 54.840 0.017 0.000 0.745 430 L CB -1.035 41.044 42.059 0.032 0.000 0.894 430 L HN 0.187 nan 8.230 nan 0.000 0.432 431 G N -1.210 107.612 108.800 0.038 0.000 2.440 431 G HA2 -0.304 3.667 3.960 0.019 0.000 0.218 431 G HA3 -0.304 3.667 3.960 0.019 0.000 0.218 431 G C 1.607 176.541 174.900 0.056 0.000 1.154 431 G CA 0.974 46.108 45.100 0.057 0.000 0.767 431 G HN 0.647 nan 8.290 nan 0.000 0.552 432 A N 0.680 123.523 122.820 0.039 0.000 1.902 432 A HA -0.045 4.287 4.320 0.019 0.000 0.217 432 A C 2.662 180.260 177.584 0.024 0.000 1.181 432 A CA 2.851 54.919 52.037 0.051 0.000 0.623 432 A CB -1.043 17.968 19.000 0.019 0.000 0.818 432 A HN 0.524 nan 8.150 nan 0.000 0.443 433 T N -1.537 113.015 114.554 -0.004 0.000 2.896 433 T HA 0.043 4.405 4.350 0.019 0.000 0.263 433 T C 1.823 176.484 174.700 -0.064 0.000 1.050 433 T CA 1.227 63.306 62.100 -0.035 0.000 1.140 433 T CB -0.469 68.375 68.868 -0.040 0.000 0.877 433 T HN 0.271 nan 8.240 nan 0.000 0.457 434 L N 0.121 121.328 121.223 -0.028 0.000 2.109 434 L HA 0.081 4.432 4.340 0.019 0.000 0.207 434 L C 2.734 179.631 176.870 0.046 0.000 1.086 434 L CA 0.675 55.498 54.840 -0.029 0.000 0.760 434 L CB -0.532 41.590 42.059 0.105 0.000 0.910 434 L HN 0.204 nan 8.230 nan 0.000 0.437 435 L N -0.307 120.967 121.223 0.085 0.000 2.156 435 L HA -0.100 4.252 4.340 0.019 0.000 0.208 435 L C 2.766 179.670 176.870 0.056 0.000 1.095 435 L CA 1.593 56.499 54.840 0.110 0.000 0.770 435 L CB -1.127 40.992 42.059 0.100 0.000 0.914 435 L HN 0.238 nan 8.230 nan 0.000 0.439 436 A N -0.786 122.038 122.820 0.006 0.000 1.930 436 A HA -0.240 4.092 4.320 0.019 0.000 0.217 436 A C 2.253 179.797 177.584 -0.066 0.000 1.175 436 A CA 1.455 53.478 52.037 -0.024 0.000 0.627 436 A CB -0.353 18.628 19.000 -0.031 0.000 0.815 436 A HN 0.465 nan 8.150 nan 0.000 0.443 437 Q N -1.355 118.357 119.800 -0.146 0.000 2.020 437 Q HA -0.103 4.249 4.340 0.019 0.000 0.198 437 Q C 0.941 176.823 176.000 -0.196 0.000 0.974 437 Q CA 1.406 57.054 55.803 -0.257 0.000 0.829 437 Q CB -0.161 28.282 28.738 -0.491 0.000 0.894 437 Q HN 0.569 nan 8.270 nan 0.000 0.433 438 F N 0.518 120.470 119.950 0.003 0.000 2.795 438 F HA 0.031 4.569 4.527 0.020 0.000 0.303 438 F C 1.387 177.188 175.800 0.001 0.000 1.186 438 F CA 1.006 59.008 58.000 0.003 0.000 1.415 438 F CB -0.040 38.965 39.000 0.008 0.000 1.106 438 F HN 0.168 nan 8.300 nan 0.000 0.558 439 T N -4.435 110.191 114.554 0.121 0.000 3.145 439 T HA 0.430 4.792 4.350 0.019 0.000 0.281 439 T C 1.401 176.117 174.700 0.028 0.000 1.003 439 T CA 0.175 62.316 62.100 0.068 0.000 0.901 439 T CB 0.218 69.111 68.868 0.042 0.000 1.112 439 T HN 0.309 nan 8.240 nan 0.000 0.535 440 G N 0.709 109.521 108.800 0.020 0.000 2.198 440 G HA2 -0.020 3.952 3.960 0.019 0.000 0.257 440 G HA3 -0.020 3.952 3.960 0.019 0.000 0.257 440 G C 0.392 175.277 174.900 -0.025 0.000 1.042 440 G CA -0.260 44.840 45.100 -0.000 0.000 0.791 440 G HN 1.032 nan 8.290 nan 0.000 0.502 441 G N -0.974 107.802 108.800 -0.041 0.000 2.504 441 G HA2 0.646 4.617 3.960 0.019 0.000 0.288 441 G HA3 0.646 4.617 3.960 0.019 0.000 0.288 441 G C -0.150 174.718 174.900 -0.054 0.000 1.182 441 G CA -0.412 44.655 45.100 -0.055 0.000 0.894 441 G HN 0.434 nan 8.290 nan 0.000 0.521 442 K N 0.259 120.629 120.400 -0.051 0.000 2.443 442 K HA 0.419 4.751 4.320 0.019 0.000 0.251 442 K C -2.639 173.935 176.600 -0.044 0.000 0.972 442 K CA -1.776 54.485 56.287 -0.043 0.000 0.833 442 K CB 2.593 35.075 32.500 -0.029 0.000 1.317 442 K HN 0.168 nan 8.250 nan 0.000 0.441 443 P HA -0.103 nan 4.420 nan 0.000 0.260 443 P C 0.230 177.507 177.300 -0.038 0.000 1.172 443 P CA 0.141 63.222 63.100 -0.032 0.000 0.760 443 P CB 0.415 32.120 31.700 0.008 0.000 0.773 444 L N 4.813 125.965 121.223 -0.118 0.000 2.083 444 L HA -0.179 4.172 4.340 0.019 0.000 0.209 444 L C 1.815 178.680 176.870 -0.007 0.000 1.083 444 L CA 1.764 56.531 54.840 -0.121 0.000 0.752 444 L CB -1.050 40.870 42.059 -0.232 0.000 0.899 444 L HN 0.400 nan 8.230 nan 0.000 0.433 445 Y N -1.496 118.862 120.300 0.097 0.000 2.242 445 Y HA -0.182 4.379 4.550 0.019 0.000 0.291 445 Y C 2.710 178.645 175.900 0.058 0.000 1.137 445 Y CA 0.813 58.976 58.100 0.105 0.000 1.181 445 Y CB -0.267 38.272 38.460 0.132 0.000 0.989 445 Y HN 0.174 nan 8.280 nan 0.000 0.527 446 S N -0.045 115.759 115.700 0.173 0.000 2.368 446 S HA -0.194 4.288 4.470 0.019 0.000 0.224 446 S C 2.293 176.933 174.600 0.066 0.000 1.029 446 S CA 0.970 59.223 58.200 0.088 0.000 0.988 446 S CB -0.465 62.763 63.200 0.046 0.000 0.838 446 S HN 0.514 nan 8.310 nan 0.000 0.462 447 A N 1.253 124.107 122.820 0.057 0.000 1.933 447 A HA -0.040 4.292 4.320 0.019 0.000 0.218 447 A C 2.020 179.639 177.584 0.057 0.000 1.175 447 A CA 1.181 53.242 52.037 0.040 0.000 0.628 447 A CB -0.669 18.342 19.000 0.019 0.000 0.814 447 A HN 0.509 nan 8.150 nan 0.000 0.444 448 I N -0.895 119.734 120.570 0.098 0.000 2.252 448 I HA -0.207 3.974 4.170 0.019 0.000 0.245 448 I C 2.407 178.572 176.117 0.081 0.000 1.102 448 I CA 1.059 62.425 61.300 0.111 0.000 1.385 448 I CB -0.241 37.876 38.000 0.195 0.000 1.064 448 I HN 0.398 nan 8.210 nan 0.000 0.414 449 L N 1.281 122.554 121.223 0.083 0.000 2.027 449 L HA -0.065 4.286 4.340 0.019 0.000 0.206 449 L C 2.576 179.464 176.870 0.030 0.000 1.074 449 L CA 2.105 56.975 54.840 0.050 0.000 0.745 449 L CB -0.927 41.159 42.059 0.045 0.000 0.898 449 L HN 0.166 nan 8.230 nan 0.000 0.433 450 A N -0.428 122.409 122.820 0.029 0.000 1.986 450 A HA -0.249 4.082 4.320 0.019 0.000 0.220 450 A C 2.459 180.051 177.584 0.014 0.000 1.171 450 A CA 1.930 53.978 52.037 0.018 0.000 0.640 450 A CB -0.608 18.401 19.000 0.016 0.000 0.811 450 A HN 0.529 nan 8.150 nan 0.000 0.451 451 R N -1.310 119.201 120.500 0.018 0.000 2.092 451 R HA -0.066 4.286 4.340 0.019 0.000 0.231 451 R C 2.208 178.511 176.300 0.006 0.000 1.119 451 R CA 1.692 57.798 56.100 0.010 0.000 0.970 451 R CB -0.468 29.839 30.300 0.012 0.000 0.864 451 R HN 0.546 nan 8.270 nan 0.000 0.440 452 T N 1.417 115.977 114.554 0.011 0.000 2.770 452 T HA -0.026 4.335 4.350 0.019 0.000 0.263 452 T C 1.802 176.505 174.700 0.003 0.000 1.039 452 T CA 0.875 62.978 62.100 0.006 0.000 1.142 452 T CB -0.043 68.831 68.868 0.009 0.000 0.868 452 T HN 0.128 nan 8.240 nan 0.000 0.435 453 L N 0.794 122.020 121.223 0.005 0.000 2.201 453 L HA -0.009 4.342 4.340 0.019 0.000 0.212 453 L C 3.024 179.896 176.870 0.004 0.000 1.105 453 L CA 0.912 55.754 54.840 0.004 0.000 0.775 453 L CB -0.739 41.322 42.059 0.004 0.000 0.913 453 L HN 0.241 nan 8.230 nan 0.000 0.440 454 A N 0.551 123.373 122.820 0.004 0.000 1.902 454 A HA -0.197 4.135 4.320 0.019 0.000 0.217 454 A C 2.358 179.944 177.584 0.003 0.000 1.181 454 A CA 1.514 53.553 52.037 0.004 0.000 0.623 454 A CB -0.278 18.724 19.000 0.003 0.000 0.818 454 A HN 0.304 nan 8.150 nan 0.000 0.443 455 K N -0.789 119.611 120.400 0.000 0.000 2.057 455 K HA -0.177 4.155 4.320 0.019 0.000 0.207 455 K C 2.340 178.942 176.600 0.004 0.000 1.049 455 K CA 1.497 57.785 56.287 0.001 0.000 0.931 455 K CB -0.162 32.335 32.500 -0.004 0.000 0.714 455 K HN 0.633 nan 8.250 nan 0.000 0.440 456 Q N 0.759 120.561 119.800 0.003 0.000 2.224 456 Q HA -0.125 4.227 4.340 0.019 0.000 0.203 456 Q C 0.929 176.933 176.000 0.005 0.000 0.970 456 Q CA 1.045 56.850 55.803 0.004 0.000 0.865 456 Q CB 0.391 29.131 28.738 0.003 0.000 0.922 456 Q HN 0.166 nan 8.270 nan 0.000 0.445 457 E N -1.105 119.098 120.200 0.005 0.000 2.419 457 E HA 0.092 4.454 4.350 0.019 0.000 0.190 457 E C 0.238 176.842 176.600 0.006 0.000 1.040 457 E CA 0.149 56.553 56.400 0.006 0.000 0.900 457 E CB 0.968 30.672 29.700 0.006 0.000 1.054 457 E HN 0.330 nan 8.360 nan 0.000 0.462 458 A N 1.014 123.838 122.820 0.007 0.000 2.288 458 A HA 0.009 4.341 4.320 0.019 0.000 0.216 458 A C 1.201 178.791 177.584 0.009 0.000 1.199 458 A CA -0.108 51.934 52.037 0.008 0.000 0.891 458 A CB 0.169 19.174 19.000 0.008 0.000 0.923 458 A HN 0.132 nan 8.150 nan 0.000 0.500 459 E N -0.018 120.187 120.200 0.009 0.000 2.651 459 E HA 0.431 4.792 4.350 0.019 0.000 0.213 459 E C -0.355 176.250 176.600 0.008 0.000 1.028 459 E CA -0.217 56.189 56.400 0.010 0.000 1.183 459 E CB 0.025 29.732 29.700 0.011 0.000 1.188 459 E HN 0.532 nan 8.360 nan 0.000 0.444 460 Q N 0.000 119.805 119.800 0.008 0.000 2.315 460 Q HA 0.000 4.352 4.340 0.019 0.000 0.214 460 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 460 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481