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 2w18_1_A DATA FIRST_RESID 854 DATA SEQUENCE NLQLVSELKN PSGSCSVDVS AMFWEXXXXK EPCIITACED VVSLWKALDA DATA SEQUENCE WQWEKLYTWH FAEVPVLQIV PVPDVYNLVC VALGNLEIRE IRALFCXXXX DATA SEQUENCE XXEKQVLLKS GNIKAVLGLT KRRLVSSSGT LSDQQVEVMT FAEDGGGKEN DATA SEQUENCE QFLMPPEETI LTFAEVQGMQ EALLGTTIMN NIVIWNLKTG QLLKKMHIDD DATA SEQUENCE XXXASVCHKA YSEMGLLFIV LSXXXXXXXX XXXXPVFQLI VINPKTTLSV DATA SEQUENCE GVMLYCLPPG QAGRFLEGDV KDHCAAAILT SGTIAIWDLL LGQCTALLPP DATA SEQUENCE VXXQHWSFVK WSGTDSHLLA GQKDGNIFVY HYS 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 854 N HA 0.000 nan 4.740 nan 0.000 0.220 854 N C 0.000 175.428 175.510 -0.136 0.000 1.280 854 N CA 0.000 52.908 53.050 -0.237 0.000 0.885 854 N CB 0.000 38.437 38.487 -0.083 0.000 1.341 855 L N 1.453 122.689 121.223 0.020 0.000 2.325 855 L HA 0.783 4.994 4.340 -0.215 0.000 0.281 855 L C 0.545 177.534 176.870 0.199 0.000 1.004 855 L CA -0.704 54.214 54.840 0.129 0.000 0.823 855 L CB 0.704 42.772 42.059 0.015 0.000 1.236 855 L HN 1.203 nan 8.230 nan 0.000 0.415 856 Q N 3.519 123.496 119.800 0.294 0.000 2.333 856 Q HA 0.590 4.801 4.340 -0.215 0.000 0.268 856 Q C -0.824 175.366 176.000 0.317 0.000 1.007 856 Q CA -0.864 55.103 55.803 0.273 0.000 0.810 856 Q CB 1.806 30.652 28.738 0.181 0.000 1.264 856 Q HN 0.629 nan 8.270 nan 0.000 0.452 857 L N 3.802 125.172 121.223 0.245 0.000 2.534 857 L HA 0.318 4.528 4.340 -0.215 0.000 0.271 857 L C 0.964 177.842 176.870 0.013 0.000 1.178 857 L CA 1.194 55.971 54.840 -0.104 0.000 0.907 857 L CB 1.027 43.008 42.059 -0.129 0.000 1.164 857 L HN 0.828 nan 8.230 nan 0.000 0.482 858 V N 1.071 121.011 119.914 0.043 0.000 3.562 858 V HA 0.517 4.508 4.120 -0.215 0.000 0.270 858 V C 0.389 176.592 176.094 0.182 0.000 1.418 858 V CA 0.672 63.054 62.300 0.138 0.000 1.033 858 V CB -0.392 31.571 31.823 0.234 0.000 0.820 858 V HN 0.936 nan 8.190 nan 0.000 0.441 859 S N 0.401 116.215 115.700 0.189 0.000 2.595 859 S HA 0.717 5.058 4.470 -0.215 0.000 0.270 859 S C -1.332 173.434 174.600 0.277 0.000 1.145 859 S CA -0.045 58.360 58.200 0.342 0.000 0.825 859 S CB 2.203 65.658 63.200 0.424 0.000 1.107 859 S HN 0.929 nan 8.310 nan 0.000 0.461 860 E N 0.826 121.236 120.200 0.351 0.000 2.412 860 E HA 0.717 4.938 4.350 -0.215 0.000 0.279 860 E C -1.883 174.713 176.600 -0.005 0.000 0.984 860 E CA -1.200 55.221 56.400 0.036 0.000 0.788 860 E CB 1.859 31.515 29.700 -0.074 0.000 1.277 860 E HN 0.727 nan 8.360 nan 0.000 0.455 861 L N 0.734 121.757 121.223 -0.332 0.000 2.438 861 L HA 0.770 4.981 4.340 -0.215 0.000 0.270 861 L C -1.385 175.224 176.870 -0.435 0.000 0.972 861 L CA -0.315 54.263 54.840 -0.438 0.000 0.831 861 L CB 1.500 43.054 42.059 -0.843 0.000 1.273 861 L HN 0.861 nan 8.230 nan 0.000 0.405 862 K N 2.089 122.320 120.400 -0.282 0.000 2.235 862 K HA 0.574 4.765 4.320 -0.215 0.000 0.266 862 K C -0.872 175.669 176.600 -0.097 0.000 0.980 862 K CA -0.609 55.578 56.287 -0.167 0.000 0.849 862 K CB 1.371 33.844 32.500 -0.045 0.000 1.098 862 K HN 0.670 nan 8.250 nan 0.000 0.445 863 N N 2.821 121.490 118.700 -0.053 0.000 2.725 863 N HA 0.294 4.905 4.740 -0.215 0.000 0.248 863 N C -3.063 172.512 175.510 0.109 0.000 1.402 863 N CA -1.656 51.462 53.050 0.112 0.000 0.766 863 N CB 1.548 40.083 38.487 0.079 0.000 1.223 863 N HN 0.353 nan 8.380 nan 0.000 0.515 864 P HA 0.285 nan 4.420 nan 0.000 0.288 864 P C -0.591 176.764 177.300 0.093 0.000 1.363 864 P CA -0.194 62.954 63.100 0.080 0.000 0.837 864 P CB 0.860 32.598 31.700 0.063 0.000 0.981 865 S N 1.231 116.988 115.700 0.094 0.000 2.798 865 S HA 0.633 4.974 4.470 -0.215 0.000 0.312 865 S C 1.529 176.177 174.600 0.080 0.000 1.122 865 S CA -0.218 58.039 58.200 0.096 0.000 0.949 865 S CB 0.937 64.205 63.200 0.114 0.000 1.235 865 S HN 0.285 nan 8.310 nan 0.000 0.552 866 G N 0.772 109.621 108.800 0.081 0.000 2.408 866 G HA2 0.093 3.924 3.960 -0.215 0.000 0.217 866 G HA3 0.093 3.924 3.960 -0.215 0.000 0.217 866 G C 0.657 175.598 174.900 0.068 0.000 1.150 866 G CA 0.862 46.003 45.100 0.069 0.000 0.776 866 G HN 1.126 nan 8.290 nan 0.000 0.542 867 S N -1.579 114.169 115.700 0.080 0.000 2.690 867 S HA 0.410 4.751 4.470 -0.215 0.000 0.291 867 S C 0.060 174.707 174.600 0.078 0.000 1.138 867 S CA -1.004 57.241 58.200 0.076 0.000 1.013 867 S CB 1.443 64.694 63.200 0.083 0.000 1.053 867 S HN 0.345 nan 8.310 nan 0.000 0.539 868 C N 2.503 121.845 119.300 0.071 0.000 2.634 868 C HA 0.433 4.764 4.460 -0.215 0.000 0.418 868 C C 1.088 176.140 174.990 0.103 0.000 1.373 868 C CA 0.072 59.139 59.018 0.082 0.000 1.756 868 C CB -0.785 26.998 27.740 0.072 0.000 2.589 868 C HN 0.953 nan 8.230 nan 0.000 0.602 869 S N 3.118 118.908 115.700 0.150 0.000 2.528 869 S HA 0.384 4.725 4.470 -0.215 0.000 0.277 869 S C 0.668 175.445 174.600 0.295 0.000 1.297 869 S CA -0.058 58.272 58.200 0.217 0.000 1.052 869 S CB 1.002 64.375 63.200 0.289 0.000 0.917 869 S HN 1.461 nan 8.310 nan 0.000 0.492 870 V N 0.811 120.750 119.914 0.041 0.000 3.497 870 V HA 0.546 4.537 4.120 -0.215 0.000 0.272 870 V C 0.051 175.671 176.094 -0.790 0.000 1.474 870 V CA 0.080 62.285 62.300 -0.158 0.000 1.025 870 V CB 0.220 31.980 31.823 -0.105 0.000 0.820 870 V HN 0.693 nan 8.190 nan 0.000 0.437 871 D N -1.390 118.385 120.400 -1.042 0.000 2.653 871 D HA 0.641 5.152 4.640 -0.215 0.000 0.258 871 D C -1.805 174.061 176.300 -0.723 0.000 1.252 871 D CA 0.074 53.395 54.000 -1.133 0.000 0.777 871 D CB 2.722 43.223 40.800 -0.499 0.000 1.339 871 D HN 0.117 nan 8.370 nan 0.000 0.422 872 V N 0.509 120.163 119.914 -0.434 0.000 3.012 872 V HA 0.817 4.808 4.120 -0.215 0.000 0.307 872 V C -1.584 174.451 176.094 -0.097 0.000 1.166 872 V CA -0.161 62.055 62.300 -0.140 0.000 0.974 872 V CB 2.073 33.923 31.823 0.044 0.000 1.040 872 V HN 0.585 nan 8.190 nan 0.000 0.428 873 S N 4.299 119.952 115.700 -0.077 0.000 2.546 873 S HA 0.869 5.210 4.470 -0.215 0.000 0.272 873 S C -0.782 173.789 174.600 -0.049 0.000 1.140 873 S CA 0.111 58.283 58.200 -0.047 0.000 0.920 873 S CB 1.695 64.874 63.200 -0.034 0.000 1.083 873 S HN 1.910 nan 8.310 nan 0.000 0.476 874 A N 5.187 127.983 122.820 -0.039 0.000 2.276 874 A HA 0.825 5.015 4.320 -0.215 0.000 0.316 874 A C -0.125 177.436 177.584 -0.038 0.000 1.229 874 A CA -0.732 51.273 52.037 -0.054 0.000 0.851 874 A CB 0.206 19.168 19.000 -0.063 0.000 1.165 874 A HN 1.177 nan 8.150 nan 0.000 0.513 875 M N 0.835 120.427 119.600 -0.013 0.000 2.618 875 M HA 0.764 5.115 4.480 -0.215 0.000 0.281 875 M C -1.674 174.648 176.300 0.037 0.000 1.267 875 M CA -0.607 54.714 55.300 0.035 0.000 0.845 875 M CB 1.358 34.072 32.600 0.191 0.000 1.732 875 M HN 0.305 nan 8.290 nan 0.000 0.461 876 F N 1.660 121.776 119.950 0.278 0.000 2.429 876 F HA 0.425 4.821 4.527 -0.218 0.000 0.348 876 F C -0.359 175.664 175.800 0.373 0.000 1.109 876 F CA 0.220 58.351 58.000 0.218 0.000 1.232 876 F CB 0.720 39.679 39.000 -0.068 0.000 1.157 876 F HN 0.470 nan 8.300 nan 0.000 0.564 877 W N 3.988 125.483 121.300 0.324 0.000 2.785 877 W HA 0.356 4.886 4.660 -0.216 0.000 0.333 877 W C -0.540 176.103 176.519 0.206 0.000 1.062 877 W CA -0.760 56.747 57.345 0.269 0.000 1.233 877 W CB 1.851 31.466 29.460 0.259 0.000 1.413 877 W HN 0.549 nan 8.180 nan 0.000 0.489 884 E N 2.470 122.834 120.200 0.275 0.000 2.314 884 E HA 0.512 4.733 4.350 -0.215 0.000 0.272 884 E C -2.768 174.111 176.600 0.465 0.000 0.884 884 E CA -2.200 54.406 56.400 0.343 0.000 0.753 884 E CB 3.115 32.959 29.700 0.239 0.000 1.213 884 E HN 0.406 nan 8.360 nan 0.000 0.432 885 P HA 0.013 nan 4.420 nan 0.000 0.271 885 P C -0.571 176.887 177.300 0.263 0.000 1.226 885 P CA -0.279 62.936 63.100 0.191 0.000 0.765 885 P CB 0.088 31.877 31.700 0.149 0.000 0.835 886 C N 3.274 122.711 119.300 0.230 0.000 2.913 886 C HA 0.755 5.086 4.460 -0.215 0.000 0.322 886 C C -0.533 174.532 174.990 0.125 0.000 1.292 886 C CA -1.165 58.024 59.018 0.286 0.000 1.649 886 C CB 0.682 28.573 27.740 0.252 0.000 2.139 886 C HN 0.422 nan 8.230 nan 0.000 0.475 887 I N 2.017 122.617 120.570 0.049 0.000 2.474 887 I HA 0.456 4.497 4.170 -0.215 0.000 0.294 887 I C -0.685 175.466 176.117 0.057 0.000 1.005 887 I CA -0.558 60.654 61.300 -0.147 0.000 1.113 887 I CB 1.685 39.314 38.000 -0.618 0.000 1.289 887 I HN 0.489 nan 8.210 nan 0.000 0.436 888 I N 4.602 125.192 120.570 0.034 0.000 2.354 888 I HA 0.302 4.343 4.170 -0.215 0.000 0.292 888 I C 0.408 176.564 176.117 0.065 0.000 0.989 888 I CA -0.407 60.957 61.300 0.107 0.000 1.188 888 I CB 1.378 39.404 38.000 0.043 0.000 1.342 888 I HN 0.540 nan 8.210 nan 0.000 0.457 889 T N 2.410 117.074 114.554 0.184 0.000 2.895 889 T HA 0.861 5.082 4.350 -0.215 0.000 0.283 889 T C -0.312 174.443 174.700 0.092 0.000 1.014 889 T CA -0.828 61.334 62.100 0.104 0.000 1.037 889 T CB 2.204 71.174 68.868 0.169 0.000 1.006 889 T HN 0.725 nan 8.240 nan 0.000 0.468 890 A N 1.730 124.544 122.820 -0.010 0.000 2.319 890 A HA 0.681 4.872 4.320 -0.215 0.000 0.310 890 A C -0.078 177.491 177.584 -0.026 0.000 1.152 890 A CA -0.820 51.190 52.037 -0.046 0.000 0.783 890 A CB 0.358 19.267 19.000 -0.152 0.000 1.184 890 A HN 1.067 nan 8.150 nan 0.000 0.474 891 C N 0.690 120.007 119.300 0.028 0.000 2.505 891 C HA 0.436 4.766 4.460 -0.215 0.000 0.358 891 C C 1.839 176.837 174.990 0.013 0.000 1.226 891 C CA -0.436 58.609 59.018 0.044 0.000 1.900 891 C CB 1.230 29.026 27.740 0.094 0.000 2.306 891 C HN 1.049 nan 8.230 nan 0.000 0.512 892 E N 1.114 121.329 120.200 0.024 0.000 2.147 892 E HA -0.270 3.951 4.350 -0.215 0.000 0.199 892 E C 0.869 177.497 176.600 0.048 0.000 1.005 892 E CA 2.166 58.574 56.400 0.013 0.000 0.810 892 E CB -0.026 29.694 29.700 0.034 0.000 0.736 892 E HN 0.820 nan 8.360 nan 0.000 0.460 893 D N -0.876 119.594 120.400 0.117 0.000 2.469 893 D HA 0.053 4.564 4.640 -0.215 0.000 0.213 893 D C -0.116 176.380 176.300 0.327 0.000 1.135 893 D CA -0.207 53.925 54.000 0.220 0.000 0.834 893 D CB 0.701 41.611 40.800 0.184 0.000 1.009 893 D HN 0.010 nan 8.370 nan 0.000 0.507 894 V N 0.040 120.107 119.914 0.255 0.000 2.969 894 V HA 0.589 4.580 4.120 -0.215 0.000 0.304 894 V C -1.771 174.462 176.094 0.233 0.000 1.192 894 V CA -0.721 61.728 62.300 0.249 0.000 0.962 894 V CB 2.289 34.163 31.823 0.085 0.000 1.045 894 V HN -0.076 nan 8.190 nan 0.000 0.428 895 V N 4.891 125.010 119.914 0.342 0.000 2.604 895 V HA 0.813 4.803 4.120 -0.215 0.000 0.305 895 V C -0.139 176.173 176.094 0.364 0.000 1.043 895 V CA -0.242 62.256 62.300 0.329 0.000 0.888 895 V CB 2.278 34.316 31.823 0.360 0.000 0.995 895 V HN 0.995 nan 8.190 nan 0.000 0.429 896 S N 3.801 119.682 115.700 0.301 0.000 2.549 896 S HA 0.677 5.018 4.470 -0.215 0.000 0.280 896 S C -0.930 173.776 174.600 0.177 0.000 1.109 896 S CA -0.506 57.777 58.200 0.138 0.000 0.905 896 S CB 2.005 65.128 63.200 -0.128 0.000 1.081 896 S HN 0.689 nan 8.310 nan 0.000 0.477 897 L N 2.642 123.872 121.223 0.012 0.000 2.289 897 L HA 0.718 4.929 4.340 -0.215 0.000 0.285 897 L C -1.896 174.869 176.870 -0.176 0.000 1.049 897 L CA -0.216 54.625 54.840 0.002 0.000 0.804 897 L CB 0.508 42.528 42.059 -0.065 0.000 1.195 897 L HN 0.727 nan 8.230 nan 0.000 0.428 898 W N 3.910 125.190 121.300 -0.033 0.000 2.819 898 W HA 0.652 5.183 4.660 -0.215 0.000 0.337 898 W C -0.488 176.173 176.519 0.237 0.000 1.077 898 W CA -0.680 56.703 57.345 0.064 0.000 1.226 898 W CB 1.807 31.319 29.460 0.085 0.000 1.419 898 W HN 0.292 nan 8.180 nan 0.000 0.502 899 K N 1.093 121.765 120.400 0.453 0.000 2.340 899 K HA 0.898 5.088 4.320 -0.215 0.000 0.244 899 K C -0.433 176.179 176.600 0.020 0.000 0.973 899 K CA -0.689 55.772 56.287 0.290 0.000 0.828 899 K CB 1.508 34.055 32.500 0.078 0.000 1.226 899 K HN 0.710 nan 8.250 nan 0.000 0.437 900 A N 2.739 125.283 122.820 -0.461 0.000 2.492 900 A HA 0.331 4.522 4.320 -0.215 0.000 0.254 900 A C 1.052 178.356 177.584 -0.467 0.000 1.091 900 A CA -0.067 51.415 52.037 -0.924 0.000 0.768 900 A CB -0.192 18.276 19.000 -0.887 0.000 1.028 900 A HN 0.935 nan 8.150 nan 0.000 0.498 901 L N 1.427 122.368 121.223 -0.469 0.000 2.168 901 L HA 0.183 4.393 4.340 -0.215 0.000 0.203 901 L C 0.532 177.228 176.870 -0.290 0.000 1.078 901 L CA 1.487 56.146 54.840 -0.301 0.000 0.780 901 L CB 0.009 41.902 42.059 -0.278 0.000 0.939 901 L HN 0.976 nan 8.230 nan 0.000 0.451 902 D N -2.942 117.237 120.400 -0.369 0.000 3.103 902 D HA 0.177 4.688 4.640 -0.215 0.000 0.337 902 D C 0.650 176.800 176.300 -0.249 0.000 1.356 902 D CA 0.082 53.929 54.000 -0.255 0.000 0.951 902 D CB 0.658 41.340 40.800 -0.196 0.000 1.438 902 D HN -0.133 nan 8.370 nan 0.000 0.562 903 A N -0.566 122.198 122.820 -0.094 0.000 2.076 903 A HA -0.025 4.166 4.320 -0.215 0.000 0.220 903 A C 1.324 178.952 177.584 0.073 0.000 1.160 903 A CA 1.982 54.015 52.037 -0.006 0.000 0.653 903 A CB -0.960 18.085 19.000 0.076 0.000 0.801 903 A HN 0.650 nan 8.150 nan 0.000 0.455 904 W N -1.686 119.543 121.300 -0.118 0.000 2.592 904 W HA 0.346 4.876 4.660 -0.216 0.000 0.306 904 W C -0.173 176.295 176.519 -0.085 0.000 0.991 904 W CA -0.161 57.142 57.345 -0.070 0.000 1.430 904 W CB -0.085 29.368 29.460 -0.012 0.000 1.017 904 W HN 0.211 nan 8.180 nan 0.000 0.557 905 Q N 0.558 119.874 119.800 -0.807 0.000 2.226 905 Q HA 0.356 4.566 4.340 -0.215 0.000 0.256 905 Q C -1.759 173.860 176.000 -0.636 0.000 0.962 905 Q CA -0.270 55.038 55.803 -0.824 0.000 0.887 905 Q CB 1.855 29.979 28.738 -1.023 0.000 1.282 905 Q HN -0.072 nan 8.270 nan 0.000 0.449 906 W N 1.351 122.510 121.300 -0.236 0.000 2.702 906 W HA 0.286 4.816 4.660 -0.216 0.000 0.331 906 W C -0.374 176.235 176.519 0.151 0.000 1.049 906 W CA -0.569 56.752 57.345 -0.040 0.000 1.230 906 W CB 1.388 30.794 29.460 -0.090 0.000 1.408 906 W HN 0.501 nan 8.180 nan 0.000 0.492 907 E N 1.972 122.373 120.200 0.335 0.000 2.195 907 E HA 0.413 4.634 4.350 -0.215 0.000 0.271 907 E C -0.789 175.852 176.600 0.069 0.000 0.923 907 E CA -1.203 55.318 56.400 0.200 0.000 0.790 907 E CB 2.067 31.756 29.700 -0.019 0.000 1.155 907 E HN 0.309 nan 8.360 nan 0.000 0.402 908 K N 2.655 122.809 120.400 -0.409 0.000 2.412 908 K HA 0.016 4.206 4.320 -0.215 0.000 0.281 908 K C -0.061 176.190 176.600 -0.582 0.000 1.027 908 K CA -0.221 55.516 56.287 -0.916 0.000 0.989 908 K CB 0.527 32.343 32.500 -1.140 0.000 0.935 908 K HN 0.514 nan 8.250 nan 0.000 0.475 909 L N 4.816 125.655 121.223 -0.641 0.000 2.500 909 L HA 0.254 4.465 4.340 -0.215 0.000 0.219 909 L C -0.703 175.507 176.870 -1.099 0.000 1.057 909 L CA 0.576 54.920 54.840 -0.827 0.000 0.854 909 L CB 0.045 41.564 42.059 -0.900 0.000 1.078 909 L HN 0.622 nan 8.230 nan 0.000 0.480 910 Y N -2.373 117.635 120.300 -0.486 0.000 2.581 910 Y HA 0.583 5.004 4.550 -0.216 0.000 0.337 910 Y C -0.258 175.208 175.900 -0.723 0.000 1.108 910 Y CA -1.334 56.385 58.100 -0.636 0.000 1.033 910 Y CB 1.541 39.511 38.460 -0.816 0.000 1.318 910 Y HN -0.414 nan 8.280 nan 0.000 0.459 911 T N 2.094 116.278 114.554 -0.617 0.000 2.912 911 T HA 0.424 4.645 4.350 -0.215 0.000 0.299 911 T C -1.533 172.779 174.700 -0.646 0.000 1.052 911 T CA -0.799 60.995 62.100 -0.510 0.000 0.996 911 T CB 1.148 69.787 68.868 -0.382 0.000 1.070 911 T HN 0.454 nan 8.240 nan 0.000 0.465 912 W N 2.072 123.239 121.300 -0.222 0.000 2.666 912 W HA 0.453 4.984 4.660 -0.215 0.000 0.334 912 W C -0.304 175.932 176.519 -0.471 0.000 1.051 912 W CA -0.564 56.633 57.345 -0.248 0.000 1.224 912 W CB 1.450 30.847 29.460 -0.104 0.000 1.405 912 W HN 0.704 nan 8.180 nan 0.000 0.513 913 H N 0.739 119.668 119.070 -0.235 0.000 2.573 913 H HA 0.528 4.955 4.556 -0.215 0.000 0.351 913 H C -1.221 173.756 175.328 -0.585 0.000 1.163 913 H CA -0.499 55.425 56.048 -0.206 0.000 1.205 913 H CB 1.664 31.381 29.762 -0.075 0.000 1.605 913 H HN 0.102 nan 8.280 nan 0.000 0.525 914 F N 0.801 120.873 119.950 0.203 0.000 2.716 914 F HA 0.547 4.945 4.527 -0.215 0.000 0.354 914 F C -0.153 175.711 175.800 0.106 0.000 1.168 914 F CA -0.803 57.275 58.000 0.131 0.000 1.045 914 F CB 1.172 40.228 39.000 0.093 0.000 1.311 914 F HN 0.612 nan 8.300 nan 0.000 0.477 915 A N 1.919 124.852 122.820 0.188 0.000 2.303 915 A HA 0.890 5.080 4.320 -0.215 0.000 0.317 915 A C 0.619 178.279 177.584 0.126 0.000 1.149 915 A CA 0.823 52.941 52.037 0.135 0.000 0.822 915 A CB 0.912 19.960 19.000 0.081 0.000 1.131 915 A HN 1.338 nan 8.150 nan 0.000 0.493 916 E N -0.144 120.117 120.200 0.101 0.000 3.691 916 E HA -0.201 4.020 4.350 -0.215 0.000 0.224 916 E C 0.795 177.447 176.600 0.086 0.000 1.146 916 E CA 1.196 57.645 56.400 0.083 0.000 2.127 916 E CB -2.139 27.607 29.700 0.077 0.000 1.758 916 E HN 2.304 nan 8.360 nan 0.000 0.399 917 V N 4.612 124.584 119.914 0.097 0.000 2.461 917 V HA 0.600 4.591 4.120 -0.215 0.000 0.275 917 V C -2.328 173.812 176.094 0.076 0.000 1.047 917 V CA -1.075 61.270 62.300 0.075 0.000 0.955 917 V CB 1.313 33.175 31.823 0.064 0.000 0.988 917 V HN 0.725 nan 8.190 nan 0.000 0.471 918 P HA 0.230 nan 4.420 nan 0.000 0.277 918 P C -0.624 176.627 177.300 -0.082 0.000 1.240 918 P CA -0.174 62.930 63.100 0.006 0.000 0.798 918 P CB 0.816 32.523 31.700 0.011 0.000 0.979 919 V N 3.577 123.384 119.914 -0.178 0.000 2.585 919 V HA -0.058 3.933 4.120 -0.215 0.000 0.296 919 V C 1.555 177.554 176.094 -0.159 0.000 1.035 919 V CA 0.342 62.477 62.300 -0.275 0.000 1.084 919 V CB 0.378 31.942 31.823 -0.432 0.000 0.953 919 V HN 0.497 nan 8.190 nan 0.000 0.483 920 L N 3.712 124.848 121.223 -0.144 0.000 2.286 920 L HA 0.267 4.478 4.340 -0.215 0.000 0.203 920 L C 0.766 177.566 176.870 -0.117 0.000 1.068 920 L CA 1.360 56.142 54.840 -0.097 0.000 0.811 920 L CB -0.177 41.840 42.059 -0.069 0.000 0.989 920 L HN 0.992 nan 8.230 nan 0.000 0.467 921 Q N -1.776 117.941 119.800 -0.139 0.000 2.702 921 Q HA 0.407 4.618 4.340 -0.215 0.000 0.289 921 Q C -1.256 174.652 176.000 -0.153 0.000 0.923 921 Q CA -0.684 55.032 55.803 -0.146 0.000 0.787 921 Q CB 1.269 29.948 28.738 -0.097 0.000 1.476 921 Q HN 0.004 nan 8.270 nan 0.000 0.402 922 I N 1.011 121.490 120.570 -0.152 0.000 2.532 922 I HA 0.356 4.397 4.170 -0.215 0.000 0.292 922 I C -0.502 175.562 176.117 -0.089 0.000 1.014 922 I CA -1.138 60.085 61.300 -0.129 0.000 1.340 922 I CB 1.634 39.561 38.000 -0.121 0.000 1.422 922 I HN 0.416 nan 8.210 nan 0.000 0.528 923 V N 6.618 126.484 119.914 -0.080 0.000 2.266 923 V HA 0.256 4.247 4.120 -0.215 0.000 0.271 923 V C -2.270 173.793 176.094 -0.053 0.000 1.032 923 V CA -1.707 60.564 62.300 -0.049 0.000 0.806 923 V CB 0.545 32.348 31.823 -0.033 0.000 1.052 923 V HN 0.571 nan 8.190 nan 0.000 0.449 924 P HA 0.171 nan 4.420 nan 0.000 0.268 924 P C -0.615 176.661 177.300 -0.040 0.000 1.205 924 P CA 0.156 63.237 63.100 -0.032 0.000 0.771 924 P CB 0.865 32.564 31.700 -0.001 0.000 0.858 925 V N 5.273 125.143 119.914 -0.073 0.000 2.447 925 V HA 0.287 4.278 4.120 -0.215 0.000 0.292 925 V C -2.273 173.759 176.094 -0.104 0.000 1.021 925 V CA -2.049 60.198 62.300 -0.087 0.000 0.850 925 V CB 1.648 33.378 31.823 -0.154 0.000 1.005 925 V HN 0.459 nan 8.190 nan 0.000 0.426 926 P HA 0.157 nan 4.420 nan 0.000 0.264 926 P C 0.120 177.336 177.300 -0.140 0.000 1.183 926 P CA 0.613 63.686 63.100 -0.044 0.000 0.763 926 P CB 0.253 31.949 31.700 -0.007 0.000 0.807 927 D N -0.950 119.324 120.400 -0.209 0.000 3.028 927 D HA -0.122 4.389 4.640 -0.215 0.000 0.207 927 D C -0.449 175.344 176.300 -0.844 0.000 1.100 927 D CA 0.716 54.465 54.000 -0.419 0.000 0.995 927 D CB -1.616 39.093 40.800 -0.151 0.000 1.108 927 D HN 0.152 nan 8.370 nan 0.000 0.421 928 V N 1.123 120.558 119.914 -0.798 0.000 2.347 928 V HA 0.290 4.281 4.120 -0.215 0.000 0.280 928 V C 0.426 176.084 176.094 -0.725 0.000 1.021 928 V CA -0.426 61.441 62.300 -0.723 0.000 0.847 928 V CB 1.112 32.614 31.823 -0.535 0.000 0.990 928 V HN 0.073 nan 8.190 nan 0.000 0.444 929 Y N 3.075 123.249 120.300 -0.210 0.000 2.641 929 Y HA 0.223 4.643 4.550 -0.217 0.000 0.248 929 Y C 1.310 176.791 175.900 -0.699 0.000 1.170 929 Y CA -0.584 57.360 58.100 -0.260 0.000 1.201 929 Y CB 0.352 38.743 38.460 -0.116 0.000 1.232 929 Y HN 0.769 nan 8.280 nan 0.000 0.537 930 N N 0.637 118.949 118.700 -0.647 0.000 2.194 930 N HA 0.220 4.831 4.740 -0.215 0.000 0.231 930 N C -0.650 174.357 175.510 -0.838 0.000 1.247 930 N CA -0.056 52.466 53.050 -0.880 0.000 0.884 930 N CB 0.165 38.427 38.487 -0.375 0.000 1.146 930 N HN 0.292 nan 8.380 nan 0.000 0.516 931 L N -3.929 116.829 121.223 -0.776 0.000 2.671 931 L HA 0.796 5.006 4.340 -0.215 0.000 0.259 931 L C -1.484 175.242 176.870 -0.241 0.000 1.021 931 L CA -1.287 53.206 54.840 -0.579 0.000 0.871 931 L CB 1.537 42.932 42.059 -1.106 0.000 1.472 931 L HN -0.272 nan 8.230 nan 0.000 0.410 932 V N 0.244 120.003 119.914 -0.259 0.000 2.448 932 V HA 0.524 4.515 4.120 -0.215 0.000 0.295 932 V C -0.401 175.490 176.094 -0.338 0.000 1.025 932 V CA -0.365 61.795 62.300 -0.234 0.000 0.859 932 V CB 1.526 33.152 31.823 -0.329 0.000 0.988 932 V HN 0.963 nan 8.190 nan 0.000 0.431 933 C N 5.509 124.659 119.300 -0.250 0.000 2.330 933 C HA 0.751 5.082 4.460 -0.215 0.000 0.344 933 C C 0.327 175.226 174.990 -0.151 0.000 1.273 933 C CA -0.537 58.370 59.018 -0.184 0.000 1.879 933 C CB 0.559 28.230 27.740 -0.116 0.000 2.376 933 C HN 0.796 nan 8.230 nan 0.000 0.534 934 V N 1.409 121.237 119.914 -0.143 0.000 3.001 934 V HA 0.994 4.985 4.120 -0.215 0.000 0.314 934 V C -0.161 175.862 176.094 -0.117 0.000 1.099 934 V CA -0.716 61.488 62.300 -0.160 0.000 0.989 934 V CB 1.622 33.285 31.823 -0.266 0.000 1.040 934 V HN 1.008 nan 8.190 nan 0.000 0.434 935 A N 3.794 126.542 122.820 -0.120 0.000 2.317 935 A HA 0.906 5.096 4.320 -0.215 0.000 0.327 935 A C -0.653 176.863 177.584 -0.114 0.000 1.178 935 A CA -0.738 51.248 52.037 -0.084 0.000 0.817 935 A CB 0.807 19.774 19.000 -0.055 0.000 1.189 935 A HN 0.987 nan 8.150 nan 0.000 0.489 936 L N 1.772 122.947 121.223 -0.080 0.000 2.342 936 L HA 0.929 5.139 4.340 -0.215 0.000 0.271 936 L C 0.494 177.344 176.870 -0.033 0.000 1.008 936 L CA -0.554 54.239 54.840 -0.079 0.000 0.818 936 L CB 2.194 44.218 42.059 -0.058 0.000 1.296 936 L HN 1.007 nan 8.230 nan 0.000 0.427 937 G N 1.204 109.987 108.800 -0.027 0.000 2.328 937 G HA2 0.039 3.870 3.960 -0.215 0.000 0.299 937 G HA3 0.039 3.870 3.960 -0.215 0.000 0.299 937 G C -0.767 174.130 174.900 -0.004 0.000 1.435 937 G CA -0.637 44.459 45.100 -0.006 0.000 0.865 937 G HN 0.600 nan 8.290 nan 0.000 0.601 938 N N -0.985 117.719 118.700 0.006 0.000 2.405 938 N HA 0.334 4.945 4.740 -0.215 0.000 0.175 938 N C 1.493 177.008 175.510 0.008 0.000 1.051 938 N CA 0.693 53.748 53.050 0.009 0.000 0.899 938 N CB 0.592 39.088 38.487 0.015 0.000 1.000 938 N HN 0.360 nan 8.380 nan 0.000 0.451 939 L N -1.330 119.897 121.223 0.007 0.000 1.589 939 L HA 0.223 4.434 4.340 -0.215 0.000 0.161 939 L C -0.949 175.925 176.870 0.007 0.000 1.300 939 L CA 0.200 55.045 54.840 0.008 0.000 1.196 939 L CB 0.352 42.418 42.059 0.011 0.000 2.497 939 L HN -0.038 nan 8.230 nan 0.000 0.492 940 E N 1.493 121.697 120.200 0.007 0.000 2.248 940 E HA 0.417 4.638 4.350 -0.215 0.000 0.272 940 E C -0.631 175.972 176.600 0.005 0.000 1.008 940 E CA -0.715 55.689 56.400 0.007 0.000 0.856 940 E CB 2.385 32.091 29.700 0.010 0.000 1.120 940 E HN 0.183 nan 8.360 nan 0.000 0.397 941 I N 2.497 123.070 120.570 0.005 0.000 2.556 941 I HA 0.021 4.062 4.170 -0.215 0.000 0.284 941 I C 1.496 177.618 176.117 0.009 0.000 1.114 941 I CA 0.345 61.647 61.300 0.002 0.000 1.418 941 I CB 0.423 38.425 38.000 0.004 0.000 1.394 941 I HN 0.416 nan 8.210 nan 0.000 0.552 942 R N 3.984 124.489 120.500 0.009 0.000 2.221 942 R HA 0.260 4.471 4.340 -0.215 0.000 0.195 942 R C -0.031 176.280 176.300 0.019 0.000 0.956 942 R CA 0.279 56.389 56.100 0.017 0.000 1.064 942 R CB 0.623 30.935 30.300 0.021 0.000 1.049 942 R HN 0.650 nan 8.270 nan 0.000 0.534 943 E N 0.546 120.756 120.200 0.016 0.000 2.367 943 E HA 0.479 4.699 4.350 -0.215 0.000 0.273 943 E C -1.149 175.457 176.600 0.011 0.000 0.903 943 E CA -0.616 55.798 56.400 0.023 0.000 0.764 943 E CB 3.037 32.763 29.700 0.043 0.000 1.252 943 E HN -0.062 nan 8.360 nan 0.000 0.446 944 I N 1.902 122.483 120.570 0.018 0.000 2.447 944 I HA 0.417 4.458 4.170 -0.215 0.000 0.287 944 I C -0.451 175.687 176.117 0.036 0.000 1.023 944 I CA -0.579 60.728 61.300 0.012 0.000 1.083 944 I CB 1.589 39.593 38.000 0.007 0.000 1.245 944 I HN 0.220 nan 8.210 nan 0.000 0.434 945 R N 4.003 124.522 120.500 0.032 0.000 2.711 945 R HA 0.832 5.043 4.340 -0.215 0.000 0.284 945 R C -0.775 175.531 176.300 0.011 0.000 0.968 945 R CA -0.923 55.214 56.100 0.062 0.000 0.924 945 R CB 2.448 32.824 30.300 0.127 0.000 1.162 945 R HN 0.672 nan 8.270 nan 0.000 0.465 946 A N 3.489 126.328 122.820 0.032 0.000 2.292 946 A HA 0.531 4.722 4.320 -0.215 0.000 0.319 946 A C -0.491 176.955 177.584 -0.230 0.000 1.206 946 A CA -0.678 51.277 52.037 -0.137 0.000 0.835 946 A CB 0.522 19.483 19.000 -0.065 0.000 1.164 946 A HN 0.563 nan 8.150 nan 0.000 0.505 947 L N 2.626 123.534 121.223 -0.525 0.000 2.287 947 L HA 0.559 4.770 4.340 -0.215 0.000 0.287 947 L C -1.117 175.412 176.870 -0.569 0.000 1.022 947 L CA -0.160 54.249 54.840 -0.719 0.000 0.814 947 L CB 0.814 41.980 42.059 -1.489 0.000 1.217 947 L HN 0.649 nan 8.230 nan 0.000 0.420 948 F N 0.988 121.035 119.950 0.162 0.000 2.538 948 F HA 0.622 5.020 4.527 -0.215 0.000 0.325 948 F C 1.132 177.288 175.800 0.593 0.000 1.066 948 F CA -0.486 57.727 58.000 0.356 0.000 0.946 948 F CB 0.835 39.943 39.000 0.181 0.000 1.199 948 F HN 0.622 nan 8.300 nan 0.000 0.473 957 K N 1.911 122.472 120.400 0.269 0.000 2.184 957 K HA 0.606 4.797 4.320 -0.215 0.000 0.259 957 K C 0.017 176.863 176.600 0.410 0.000 1.119 957 K CA -0.148 56.324 56.287 0.308 0.000 0.991 957 K CB -0.475 32.216 32.500 0.319 0.000 1.522 957 K HN 0.504 nan 8.250 nan 0.000 0.405 958 Q N 0.197 120.158 119.800 0.269 0.000 2.337 958 Q HA 0.619 4.830 4.340 -0.215 0.000 0.266 958 Q C -1.013 175.116 176.000 0.214 0.000 1.023 958 Q CA -1.288 54.648 55.803 0.221 0.000 0.829 958 Q CB 2.528 31.351 28.738 0.142 0.000 1.306 958 Q HN 0.324 nan 8.270 nan 0.000 0.449 959 V N 2.816 122.881 119.914 0.251 0.000 2.417 959 V HA 0.221 4.212 4.120 -0.215 0.000 0.291 959 V C -0.597 175.589 176.094 0.153 0.000 1.024 959 V CA -0.812 61.609 62.300 0.202 0.000 0.861 959 V CB 1.611 33.599 31.823 0.275 0.000 0.985 959 V HN 0.609 nan 8.190 nan 0.000 0.436 960 L N 5.917 127.206 121.223 0.110 0.000 2.433 960 L HA 0.287 4.498 4.340 -0.215 0.000 0.275 960 L C 0.642 177.554 176.870 0.069 0.000 1.128 960 L CA 0.824 55.716 54.840 0.087 0.000 0.875 960 L CB 0.298 42.399 42.059 0.070 0.000 1.171 960 L HN 0.624 nan 8.230 nan 0.000 0.463 961 L N 3.231 124.491 121.223 0.062 0.000 2.221 961 L HA 0.266 4.477 4.340 -0.215 0.000 0.202 961 L C 0.576 177.442 176.870 -0.006 0.000 1.074 961 L CA 0.350 55.206 54.840 0.028 0.000 0.795 961 L CB -0.116 41.964 42.059 0.036 0.000 0.960 961 L HN 0.530 nan 8.230 nan 0.000 0.458 962 K N -0.877 119.526 120.400 0.004 0.000 2.527 962 K HA 0.524 4.715 4.320 -0.215 0.000 0.260 962 K C -1.298 175.308 176.600 0.011 0.000 0.937 962 K CA -0.220 56.062 56.287 -0.007 0.000 0.826 962 K CB 2.483 34.967 32.500 -0.026 0.000 1.359 962 K HN -0.156 nan 8.250 nan 0.000 0.434 963 S N 1.114 116.822 115.700 0.014 0.000 2.543 963 S HA 0.871 5.212 4.470 -0.215 0.000 0.271 963 S C -0.684 173.929 174.600 0.022 0.000 1.148 963 S CA 0.411 58.624 58.200 0.022 0.000 0.914 963 S CB 1.175 64.391 63.200 0.027 0.000 1.096 963 S HN 1.023 nan 8.310 nan 0.000 0.471 964 G N 3.466 112.280 108.800 0.023 0.000 2.247 964 G HA2 0.030 3.861 3.960 -0.215 0.000 0.229 964 G HA3 0.030 3.861 3.960 -0.215 0.000 0.229 964 G C -1.150 173.764 174.900 0.024 0.000 1.345 964 G CA -0.315 44.800 45.100 0.025 0.000 1.100 964 G HN 0.984 nan 8.290 nan 0.000 0.473 965 N N 0.916 119.631 118.700 0.026 0.000 3.083 965 N HA 0.490 5.100 4.740 -0.215 0.000 0.260 965 N C -0.227 175.299 175.510 0.027 0.000 1.163 965 N CA -0.344 52.720 53.050 0.024 0.000 1.060 965 N CB -0.412 38.090 38.487 0.024 0.000 1.345 965 N HN 0.521 nan 8.380 nan 0.000 0.515 966 I N 2.507 123.092 120.570 0.025 0.000 2.371 966 I HA 0.149 4.190 4.170 -0.215 0.000 0.290 966 I C 1.244 177.379 176.117 0.028 0.000 1.028 966 I CA -0.492 60.826 61.300 0.030 0.000 1.345 966 I CB 1.255 39.270 38.000 0.025 0.000 1.407 966 I HN 0.213 nan 8.210 nan 0.000 0.501 967 K N 4.879 125.299 120.400 0.034 0.000 2.323 967 K HA 0.433 4.624 4.320 -0.215 0.000 0.197 967 K C 0.134 176.736 176.600 0.004 0.000 1.043 967 K CA 0.234 56.530 56.287 0.015 0.000 0.997 967 K CB 0.623 33.126 32.500 0.005 0.000 0.807 967 K HN 0.711 nan 8.250 nan 0.000 0.497 968 A N 0.151 122.999 122.820 0.047 0.000 2.590 968 A HA 0.562 4.752 4.320 -0.215 0.000 0.296 968 A C -1.651 176.085 177.584 0.254 0.000 1.050 968 A CA -0.588 51.487 52.037 0.063 0.000 0.697 968 A CB 1.460 20.360 19.000 -0.167 0.000 1.277 968 A HN -0.111 nan 8.150 nan 0.000 0.411 969 V N 1.626 121.702 119.914 0.270 0.000 3.120 969 V HA 0.902 4.892 4.120 -0.215 0.000 0.303 969 V C -2.137 174.069 176.094 0.186 0.000 1.238 969 V CA -0.411 62.010 62.300 0.202 0.000 1.008 969 V CB 2.000 33.867 31.823 0.073 0.000 1.064 969 V HN 1.935 nan 8.190 nan 0.000 0.434 970 L N 4.026 125.278 121.223 0.048 0.000 2.591 970 L HA 0.868 5.079 4.340 -0.215 0.000 0.257 970 L C -0.091 176.748 176.870 -0.052 0.000 0.935 970 L CA 0.653 55.507 54.840 0.024 0.000 0.873 970 L CB 2.024 44.130 42.059 0.080 0.000 1.397 970 L HN 0.913 nan 8.230 nan 0.000 0.414 971 G N 4.015 112.803 108.800 -0.020 0.000 2.415 971 G HA2 0.591 4.422 3.960 -0.215 0.000 0.269 971 G HA3 0.591 4.422 3.960 -0.215 0.000 0.269 971 G C -1.035 173.844 174.900 -0.036 0.000 1.209 971 G CA -0.419 44.667 45.100 -0.023 0.000 0.835 971 G HN 0.616 nan 8.290 nan 0.000 0.534 972 L N 0.821 122.018 121.223 -0.044 0.000 2.323 972 L HA 0.479 4.689 4.340 -0.215 0.000 0.265 972 L C 0.997 177.850 176.870 -0.028 0.000 1.012 972 L CA -1.198 53.614 54.840 -0.046 0.000 0.820 972 L CB 2.171 44.180 42.059 -0.084 0.000 1.334 972 L HN 0.704 nan 8.230 nan 0.000 0.427 973 T N -1.183 113.360 114.554 -0.018 0.000 2.906 973 T HA 0.040 4.261 4.350 -0.215 0.000 0.329 973 T C 0.334 175.023 174.700 -0.017 0.000 1.091 973 T CA -0.336 61.758 62.100 -0.010 0.000 1.127 973 T CB 0.234 69.104 68.868 0.003 0.000 1.035 973 T HN 0.594 nan 8.240 nan 0.000 0.547 974 K N 0.966 121.356 120.400 -0.017 0.000 3.167 974 K HA -0.177 4.014 4.320 -0.215 0.000 0.272 974 K C 0.408 177.000 176.600 -0.013 0.000 1.137 974 K CA 1.121 57.398 56.287 -0.017 0.000 0.800 974 K CB -2.126 30.365 32.500 -0.014 0.000 1.253 974 K HN 0.900 nan 8.250 nan 0.000 0.497 975 R N -1.366 119.125 120.500 -0.015 0.000 3.336 975 R HA -0.255 3.956 4.340 -0.215 0.000 0.260 975 R C -0.326 176.065 176.300 0.150 0.000 1.032 975 R CA 1.317 57.450 56.100 0.056 0.000 0.693 975 R CB -1.460 28.875 30.300 0.059 0.000 1.134 975 R HN 0.415 nan 8.270 nan 0.000 0.433 976 R N 0.488 121.024 120.500 0.060 0.000 2.832 976 R HA 0.637 4.848 4.340 -0.215 0.000 0.271 976 R C -0.650 175.648 176.300 -0.003 0.000 0.996 976 R CA -1.076 55.015 56.100 -0.016 0.000 0.977 976 R CB 1.469 31.713 30.300 -0.093 0.000 1.168 976 R HN 0.007 nan 8.270 nan 0.000 0.482 977 L N 2.121 123.282 121.223 -0.104 0.000 2.476 977 L HA 0.434 4.644 4.340 -0.215 0.000 0.269 977 L C -1.563 175.161 176.870 -0.245 0.000 0.965 977 L CA -0.628 54.148 54.840 -0.107 0.000 0.845 977 L CB 1.817 43.872 42.059 -0.006 0.000 1.259 977 L HN 0.469 nan 8.230 nan 0.000 0.403 978 V N 5.418 125.135 119.914 -0.329 0.000 2.483 978 V HA 0.892 4.883 4.120 -0.215 0.000 0.295 978 V C -0.139 175.696 176.094 -0.432 0.000 1.035 978 V CA 0.195 62.180 62.300 -0.525 0.000 0.896 978 V CB 2.004 33.297 31.823 -0.883 0.000 0.986 978 V HN 1.057 nan 8.190 nan 0.000 0.447 979 S N 4.085 119.602 115.700 -0.305 0.000 2.618 979 S HA 0.772 5.113 4.470 -0.215 0.000 0.277 979 S C -0.699 173.944 174.600 0.072 0.000 1.138 979 S CA -0.638 57.547 58.200 -0.026 0.000 0.844 979 S CB 1.834 65.013 63.200 -0.035 0.000 1.127 979 S HN 1.065 nan 8.310 nan 0.000 0.474 980 S N 0.553 116.386 115.700 0.221 0.000 2.536 980 S HA 0.859 5.200 4.470 -0.215 0.000 0.287 980 S C -0.688 173.970 174.600 0.097 0.000 1.101 980 S CA -0.324 57.979 58.200 0.172 0.000 0.950 980 S CB 1.194 64.537 63.200 0.237 0.000 1.056 980 S HN 1.366 nan 8.310 nan 0.000 0.481 981 S N 2.524 118.273 115.700 0.081 0.000 2.667 981 S HA 0.981 5.322 4.470 -0.215 0.000 0.292 981 S C 0.449 175.086 174.600 0.063 0.000 1.126 981 S CA -0.193 58.044 58.200 0.062 0.000 0.881 981 S CB 0.702 63.935 63.200 0.054 0.000 1.132 981 S HN 2.138 nan 8.310 nan 0.000 0.492 982 G N 0.393 109.223 108.800 0.048 0.000 2.796 982 G HA2 -0.034 3.797 3.960 -0.215 0.000 0.226 982 G HA3 -0.034 3.797 3.960 -0.215 0.000 0.226 982 G C 0.410 175.335 174.900 0.042 0.000 1.381 982 G CA 0.817 45.944 45.100 0.044 0.000 0.867 982 G HN 2.105 nan 8.290 nan 0.000 0.552 983 T N -3.057 111.519 114.554 0.037 0.000 3.105 983 T HA 0.568 4.789 4.350 -0.215 0.000 0.257 983 T C 1.569 176.288 174.700 0.033 0.000 0.949 983 T CA 1.353 63.472 62.100 0.031 0.000 0.959 983 T CB 0.041 68.922 68.868 0.021 0.000 1.205 983 T HN 1.019 nan 8.240 nan 0.000 0.496 984 L N 0.714 121.957 121.223 0.033 0.000 3.140 984 L HA 0.439 4.649 4.340 -0.215 0.000 0.220 984 L C 2.297 179.188 176.870 0.035 0.000 1.508 984 L CA 0.012 54.871 54.840 0.031 0.000 2.372 984 L CB -0.556 41.515 42.059 0.021 0.000 2.266 984 L HN 0.108 nan 8.230 nan 0.000 0.788 985 S N 0.260 115.975 115.700 0.025 0.000 2.419 985 S HA -0.167 4.174 4.470 -0.215 0.000 0.235 985 S C 1.154 175.768 174.600 0.024 0.000 1.019 985 S CA 1.444 59.658 58.200 0.022 0.000 0.982 985 S CB -0.681 62.527 63.200 0.013 0.000 0.789 985 S HN 0.733 nan 8.310 nan 0.000 0.490 986 D N 0.437 120.853 120.400 0.027 0.000 2.349 986 D HA 0.015 4.526 4.640 -0.215 0.000 0.214 986 D C 0.669 176.996 176.300 0.045 0.000 1.063 986 D CA -0.206 53.811 54.000 0.028 0.000 0.847 986 D CB -0.622 40.192 40.800 0.023 0.000 0.933 986 D HN 0.503 nan 8.370 nan 0.000 0.513 987 Q N 0.679 120.513 119.800 0.057 0.000 2.283 987 Q HA -0.030 4.181 4.340 -0.215 0.000 0.301 987 Q C -0.562 175.501 176.000 0.105 0.000 1.063 987 Q CA 0.644 56.495 55.803 0.081 0.000 0.952 987 Q CB 0.506 29.300 28.738 0.092 0.000 1.166 987 Q HN 0.245 nan 8.270 nan 0.000 0.381 988 Q N 2.075 121.950 119.800 0.125 0.000 2.342 988 Q HA 0.588 4.799 4.340 -0.215 0.000 0.267 988 Q C -1.467 174.621 176.000 0.146 0.000 1.038 988 Q CA -0.853 55.059 55.803 0.182 0.000 0.832 988 Q CB 2.519 31.404 28.738 0.246 0.000 1.323 988 Q HN 0.436 nan 8.270 nan 0.000 0.448 989 V N 2.095 122.083 119.914 0.123 0.000 2.531 989 V HA 0.412 4.403 4.120 -0.215 0.000 0.301 989 V C -0.811 175.167 176.094 -0.192 0.000 1.034 989 V CA -0.658 61.622 62.300 -0.034 0.000 0.865 989 V CB 1.830 33.586 31.823 -0.111 0.000 0.995 989 V HN 0.755 nan 8.190 nan 0.000 0.424 990 E N 3.260 123.269 120.200 -0.318 0.000 2.292 990 E HA 0.647 4.868 4.350 -0.215 0.000 0.272 990 E C -1.624 174.702 176.600 -0.457 0.000 0.881 990 E CA -0.761 55.341 56.400 -0.496 0.000 0.754 990 E CB 3.088 32.451 29.700 -0.561 0.000 1.201 990 E HN 0.388 nan 8.360 nan 0.000 0.425 991 V N 3.999 123.645 119.914 -0.447 0.000 2.350 991 V HA 0.314 4.305 4.120 -0.215 0.000 0.285 991 V C -0.044 175.841 176.094 -0.348 0.000 1.014 991 V CA -0.672 61.399 62.300 -0.383 0.000 0.831 991 V CB 0.764 32.385 31.823 -0.337 0.000 1.000 991 V HN 0.673 nan 8.190 nan 0.000 0.433 992 M N 3.254 122.643 119.600 -0.353 0.000 2.342 992 M HA 0.749 5.099 4.480 -0.215 0.000 0.332 992 M C -0.316 175.759 176.300 -0.375 0.000 1.166 992 M CA 0.165 55.240 55.300 -0.375 0.000 1.086 992 M CB 1.530 33.869 32.600 -0.434 0.000 1.541 992 M HN 0.386 nan 8.290 nan 0.000 0.462 993 T N 2.328 116.674 114.554 -0.347 0.000 2.824 993 T HA 0.592 4.813 4.350 -0.215 0.000 0.282 993 T C -0.875 173.641 174.700 -0.307 0.000 0.993 993 T CA -0.379 61.567 62.100 -0.256 0.000 0.967 993 T CB 0.519 69.307 68.868 -0.134 0.000 0.960 993 T HN 0.447 nan 8.240 nan 0.000 0.441 994 F N 1.996 121.902 119.950 -0.074 0.000 2.412 994 F HA 0.572 4.969 4.527 -0.217 0.000 0.348 994 F C 1.114 176.887 175.800 -0.045 0.000 1.102 994 F CA -0.882 57.088 58.000 -0.051 0.000 1.196 994 F CB 0.483 39.447 39.000 -0.060 0.000 1.144 994 F HN 0.630 nan 8.300 nan 0.000 0.541 995 A N 1.994 124.903 122.820 0.149 0.000 2.327 995 A HA 0.487 4.678 4.320 -0.215 0.000 0.255 995 A C 1.494 179.126 177.584 0.081 0.000 1.099 995 A CA 0.173 52.258 52.037 0.080 0.000 0.801 995 A CB -0.269 18.763 19.000 0.053 0.000 1.062 995 A HN 0.959 nan 8.150 nan 0.000 0.496 996 E N 0.514 120.738 120.200 0.039 0.000 2.147 996 E HA -0.281 3.939 4.350 -0.215 0.000 0.199 996 E C 1.130 177.747 176.600 0.028 0.000 1.005 996 E CA 1.993 58.405 56.400 0.020 0.000 0.810 996 E CB -0.911 28.797 29.700 0.013 0.000 0.736 996 E HN 0.849 nan 8.360 nan 0.000 0.460 997 D N -1.939 118.489 120.400 0.047 0.000 2.349 997 D HA 0.245 4.755 4.640 -0.215 0.000 0.224 997 D C 1.460 177.850 176.300 0.149 0.000 1.029 997 D CA 1.043 55.077 54.000 0.057 0.000 0.879 997 D CB -0.056 40.755 40.800 0.018 0.000 0.906 997 D HN 0.925 nan 8.370 nan 0.000 0.528 998 G N -0.627 108.285 108.800 0.187 0.000 2.195 998 G HA2 -0.179 3.651 3.960 -0.215 0.000 0.246 998 G HA3 -0.179 3.651 3.960 -0.215 0.000 0.246 998 G C 0.667 175.849 174.900 0.468 0.000 0.984 998 G CA 0.011 45.311 45.100 0.333 0.000 0.633 998 G HN 0.783 nan 8.290 nan 0.000 0.525 999 G N 0.641 109.598 108.800 0.262 0.000 2.406 999 G HA2 0.599 4.430 3.960 -0.215 0.000 0.251 999 G HA3 0.599 4.430 3.960 -0.215 0.000 0.251 999 G C 0.841 175.826 174.900 0.143 0.000 1.271 999 G CA 0.574 45.782 45.100 0.180 0.000 0.859 999 G HN 1.330 nan 8.290 nan 0.000 0.540 1000 G N 0.708 109.547 108.800 0.065 0.000 2.248 1000 G HA2 0.264 4.095 3.960 -0.215 0.000 0.260 1000 G HA3 0.264 4.095 3.960 -0.215 0.000 0.260 1000 G C 0.731 175.579 174.900 -0.086 0.000 1.214 1000 G CA -0.123 44.913 45.100 -0.107 0.000 0.979 1000 G HN 0.732 nan 8.290 nan 0.000 0.454 1001 K N 1.242 121.572 120.400 -0.116 0.000 2.325 1001 K HA 0.164 4.355 4.320 -0.215 0.000 0.203 1001 K C 0.090 176.639 176.600 -0.085 0.000 1.128 1001 K CA 0.420 56.664 56.287 -0.072 0.000 0.931 1001 K CB 0.430 32.903 32.500 -0.045 0.000 1.125 1001 K HN 0.430 nan 8.250 nan 0.000 0.487 1002 E N 0.556 120.681 120.200 -0.125 0.000 2.393 1002 E HA 0.267 4.488 4.350 -0.215 0.000 0.273 1002 E C -1.658 174.839 176.600 -0.172 0.000 0.918 1002 E CA -0.785 55.544 56.400 -0.118 0.000 0.773 1002 E CB 1.889 31.529 29.700 -0.099 0.000 1.275 1002 E HN 0.108 nan 8.360 nan 0.000 0.451 1003 N N 0.969 119.572 118.700 -0.162 0.000 2.336 1003 N HA 0.131 4.742 4.740 -0.215 0.000 0.290 1003 N C -1.769 173.602 175.510 -0.231 0.000 1.058 1003 N CA -0.343 52.556 53.050 -0.251 0.000 0.865 1003 N CB 1.679 39.996 38.487 -0.283 0.000 1.581 1003 N HN 0.340 nan 8.380 nan 0.000 0.480 1004 Q N 3.658 123.279 119.800 -0.298 0.000 2.325 1004 Q HA 0.381 4.592 4.340 -0.215 0.000 0.270 1004 Q C -1.249 174.584 176.000 -0.278 0.000 1.020 1004 Q CA -0.547 55.144 55.803 -0.187 0.000 0.785 1004 Q CB 0.867 29.520 28.738 -0.141 0.000 1.259 1004 Q HN 0.475 nan 8.270 nan 0.000 0.452 1005 F N 2.582 122.476 119.950 -0.094 0.000 2.384 1005 F HA 0.321 4.719 4.527 -0.215 0.000 0.338 1005 F C -0.126 175.611 175.800 -0.104 0.000 1.103 1005 F CA -0.441 57.501 58.000 -0.097 0.000 1.157 1005 F CB 0.690 39.657 39.000 -0.056 0.000 1.167 1005 F HN 0.406 nan 8.300 nan 0.000 0.529 1006 L N 3.345 124.570 121.223 0.003 0.000 2.334 1006 L HA 0.398 4.608 4.340 -0.215 0.000 0.276 1006 L C -0.023 176.921 176.870 0.124 0.000 1.014 1006 L CA -1.071 53.719 54.840 -0.083 0.000 0.815 1006 L CB 1.574 43.273 42.059 -0.601 0.000 1.268 1006 L HN 0.595 nan 8.230 nan 0.000 0.428 1007 M N 6.064 125.828 119.600 0.273 0.000 2.356 1007 M HA 0.199 4.550 4.480 -0.215 0.000 0.348 1007 M C -2.246 174.311 176.300 0.429 0.000 1.595 1007 M CA -0.885 54.595 55.300 0.300 0.000 1.095 1007 M CB 0.607 33.358 32.600 0.251 0.000 1.963 1007 M HN 0.246 nan 8.290 nan 0.000 0.459 1008 P HA 0.333 nan 4.420 nan 0.000 0.284 1008 P C -2.511 174.923 177.300 0.223 0.000 1.253 1008 P CA -1.427 61.856 63.100 0.306 0.000 0.800 1008 P CB 0.146 31.963 31.700 0.195 0.000 0.961 1009 P HA -0.026 nan 4.420 nan 0.000 0.236 1009 P C -0.109 177.230 177.300 0.065 0.000 1.177 1009 P CA 0.543 63.692 63.100 0.082 0.000 0.773 1009 P CB -0.195 31.523 31.700 0.030 0.000 0.878 1010 E N -0.919 119.334 120.200 0.089 0.000 2.637 1010 E HA -0.192 4.028 4.350 -0.215 0.000 0.265 1010 E C -0.635 175.991 176.600 0.042 0.000 1.073 1010 E CA 0.542 56.978 56.400 0.060 0.000 0.778 1010 E CB -1.928 27.798 29.700 0.043 0.000 1.362 1010 E HN 0.534 nan 8.360 nan 0.000 0.413 1011 E N 0.115 120.344 120.200 0.047 0.000 2.263 1011 E HA 0.249 4.470 4.350 -0.215 0.000 0.268 1011 E C -0.645 175.974 176.600 0.031 0.000 0.884 1011 E CA -0.636 55.780 56.400 0.027 0.000 0.766 1011 E CB 1.660 31.366 29.700 0.011 0.000 1.196 1011 E HN -0.080 nan 8.360 nan 0.000 0.416 1012 T N 3.270 117.834 114.554 0.017 0.000 2.908 1012 T HA 0.035 4.256 4.350 -0.215 0.000 0.301 1012 T C 0.552 175.240 174.700 -0.020 0.000 1.019 1012 T CA -0.114 61.991 62.100 0.009 0.000 1.152 1012 T CB 0.051 68.919 68.868 0.001 0.000 0.966 1012 T HN 0.236 nan 8.240 nan 0.000 0.540 1013 I N 4.396 124.942 120.570 -0.040 0.000 2.441 1013 I HA 0.123 4.164 4.170 -0.215 0.000 0.287 1013 I C 1.287 177.294 176.117 -0.183 0.000 1.049 1013 I CA -0.308 60.908 61.300 -0.141 0.000 1.381 1013 I CB 0.576 38.403 38.000 -0.288 0.000 1.409 1013 I HN 0.687 nan 8.210 nan 0.000 0.523 1014 L N 4.247 125.360 121.223 -0.182 0.000 2.200 1014 L HA 0.074 4.285 4.340 -0.215 0.000 0.200 1014 L C 0.892 177.641 176.870 -0.201 0.000 1.072 1014 L CA 0.744 55.493 54.840 -0.152 0.000 0.787 1014 L CB -0.229 41.767 42.059 -0.104 0.000 0.957 1014 L HN 0.773 nan 8.230 nan 0.000 0.459 1015 T N -3.067 111.330 114.554 -0.261 0.000 2.883 1015 T HA 0.546 4.767 4.350 -0.215 0.000 0.301 1015 T C -0.912 173.595 174.700 -0.322 0.000 1.158 1015 T CA -0.581 61.373 62.100 -0.242 0.000 1.007 1015 T CB 1.965 70.748 68.868 -0.142 0.000 1.186 1015 T HN -0.155 nan 8.240 nan 0.000 0.499 1016 F N 0.588 120.551 119.950 0.022 0.000 2.470 1016 F HA 0.784 5.180 4.527 -0.218 0.000 0.329 1016 F C 0.546 176.354 175.800 0.012 0.000 1.072 1016 F CA -0.822 57.208 58.000 0.051 0.000 0.989 1016 F CB 2.088 41.104 39.000 0.027 0.000 1.193 1016 F HN 1.007 nan 8.300 nan 0.000 0.481 1017 A N 1.979 124.942 122.820 0.238 0.000 2.459 1017 A HA 0.445 4.636 4.320 -0.215 0.000 0.296 1017 A C -1.156 176.483 177.584 0.092 0.000 1.039 1017 A CA -0.666 51.430 52.037 0.098 0.000 0.698 1017 A CB 1.267 20.272 19.000 0.009 0.000 1.261 1017 A HN 0.770 nan 8.150 nan 0.000 0.405 1018 E N 1.749 121.975 120.200 0.044 0.000 2.316 1018 E HA 0.409 4.630 4.350 -0.215 0.000 0.275 1018 E C -0.788 175.822 176.600 0.017 0.000 1.029 1018 E CA -0.339 56.083 56.400 0.036 0.000 0.871 1018 E CB 0.859 30.566 29.700 0.012 0.000 1.022 1018 E HN 0.417 nan 8.360 nan 0.000 0.418 1019 V N 6.027 125.966 119.914 0.041 0.000 2.387 1019 V HA 0.003 3.994 4.120 -0.215 0.000 0.260 1019 V C 0.402 176.529 176.094 0.054 0.000 1.054 1019 V CA -0.050 62.273 62.300 0.039 0.000 0.967 1019 V CB 0.652 32.513 31.823 0.063 0.000 1.036 1019 V HN 0.705 nan 8.190 nan 0.000 0.481 1020 Q N 3.997 123.830 119.800 0.054 0.000 2.313 1020 Q HA 0.404 4.615 4.340 -0.215 0.000 0.266 1020 Q C 1.064 177.148 176.000 0.139 0.000 0.989 1020 Q CA 0.786 56.650 55.803 0.101 0.000 0.890 1020 Q CB 0.672 29.497 28.738 0.144 0.000 1.200 1020 Q HN 1.069 nan 8.270 nan 0.000 0.396 1021 G N 3.516 112.381 108.800 0.107 0.000 2.157 1021 G HA2 -0.257 3.574 3.960 -0.215 0.000 0.239 1021 G HA3 -0.257 3.574 3.960 -0.215 0.000 0.239 1021 G C -0.296 174.658 174.900 0.090 0.000 0.982 1021 G CA 0.252 45.413 45.100 0.102 0.000 0.650 1021 G HN 0.615 nan 8.290 nan 0.000 0.527 1022 M N 0.952 120.601 119.600 0.081 0.000 2.263 1022 M HA 0.693 5.044 4.480 -0.215 0.000 0.295 1022 M C 0.193 176.528 176.300 0.057 0.000 1.028 1022 M CA -0.133 55.208 55.300 0.069 0.000 0.921 1022 M CB 1.492 34.136 32.600 0.074 0.000 1.601 1022 M HN 0.606 nan 8.290 nan 0.000 0.440 1023 Q N 2.999 122.828 119.800 0.049 0.000 2.286 1023 Q HA 0.216 4.427 4.340 -0.215 0.000 0.267 1023 Q C 0.221 176.246 176.000 0.043 0.000 1.028 1023 Q CA 0.127 55.955 55.803 0.042 0.000 0.901 1023 Q CB 0.066 28.825 28.738 0.035 0.000 1.183 1023 Q HN 0.762 nan 8.270 nan 0.000 0.392 1024 E N -1.248 118.975 120.200 0.039 0.000 2.320 1024 E HA -0.184 4.037 4.350 -0.215 0.000 0.234 1024 E C -0.532 176.103 176.600 0.058 0.000 1.183 1024 E CA 1.008 57.430 56.400 0.037 0.000 0.713 1024 E CB -2.044 27.674 29.700 0.030 0.000 1.226 1024 E HN 1.269 nan 8.360 nan 0.000 0.382 1025 A N 0.581 123.441 122.820 0.068 0.000 2.350 1025 A HA 0.762 4.953 4.320 -0.215 0.000 0.324 1025 A C -0.576 177.079 177.584 0.119 0.000 1.118 1025 A CA -0.702 51.394 52.037 0.098 0.000 0.783 1025 A CB 1.370 20.420 19.000 0.083 0.000 1.236 1025 A HN 0.141 nan 8.150 nan 0.000 0.457 1026 L N 2.304 123.649 121.223 0.203 0.000 2.365 1026 L HA 0.766 4.977 4.340 -0.215 0.000 0.273 1026 L C -1.033 176.064 176.870 0.378 0.000 1.000 1026 L CA -0.527 54.472 54.840 0.265 0.000 0.819 1026 L CB 1.673 43.884 42.059 0.252 0.000 1.284 1026 L HN 0.762 nan 8.230 nan 0.000 0.418 1027 L N 3.933 125.334 121.223 0.297 0.000 2.331 1027 L HA 0.999 5.210 4.340 -0.215 0.000 0.275 1027 L C -0.175 176.916 176.870 0.369 0.000 1.022 1027 L CA -0.095 54.879 54.840 0.223 0.000 0.812 1027 L CB 1.673 43.782 42.059 0.084 0.000 1.257 1027 L HN 0.769 nan 8.230 nan 0.000 0.435 1028 G N 0.748 109.670 108.800 0.203 0.000 2.563 1028 G HA2 0.578 4.409 3.960 -0.215 0.000 0.302 1028 G HA3 0.578 4.409 3.960 -0.215 0.000 0.302 1028 G C -1.107 173.763 174.900 -0.050 0.000 1.301 1028 G CA -0.298 44.894 45.100 0.153 0.000 0.965 1028 G HN 0.665 nan 8.290 nan 0.000 0.480 1029 T N -1.559 112.935 114.554 -0.100 0.000 2.895 1029 T HA 0.765 4.986 4.350 -0.215 0.000 0.283 1029 T C 0.299 174.934 174.700 -0.108 0.000 1.014 1029 T CA -0.317 61.718 62.100 -0.107 0.000 1.037 1029 T CB 1.714 70.517 68.868 -0.109 0.000 1.006 1029 T HN 1.000 nan 8.240 nan 0.000 0.468 1030 T N -0.199 114.306 114.554 -0.082 0.000 2.930 1030 T HA 0.456 4.677 4.350 -0.215 0.000 0.290 1030 T C 1.547 176.222 174.700 -0.042 0.000 1.052 1030 T CA -1.032 61.033 62.100 -0.058 0.000 1.017 1030 T CB 1.100 69.946 68.868 -0.037 0.000 1.137 1030 T HN 0.780 nan 8.240 nan 0.000 0.511 1031 I N -0.757 119.796 120.570 -0.028 0.000 2.756 1031 I HA 0.011 4.052 4.170 -0.215 0.000 0.262 1031 I C 1.097 177.214 176.117 -0.000 0.000 1.225 1031 I CA 1.221 62.511 61.300 -0.017 0.000 1.472 1031 I CB -1.065 36.928 38.000 -0.011 0.000 1.094 1031 I HN 0.476 nan 8.210 nan 0.000 0.454 1032 M N 1.431 121.037 119.600 0.010 0.000 2.633 1032 M HA 0.043 4.394 4.480 -0.215 0.000 0.226 1032 M C 0.377 176.734 176.300 0.095 0.000 1.137 1032 M CA 0.165 55.492 55.300 0.045 0.000 1.020 1032 M CB -1.982 30.641 32.600 0.039 0.000 1.675 1032 M HN 0.380 nan 8.290 nan 0.000 0.500 1033 N N 1.709 120.421 118.700 0.021 0.000 2.725 1033 N HA -0.165 4.445 4.740 -0.215 0.000 0.249 1033 N C -1.044 174.401 175.510 -0.110 0.000 1.103 1033 N CA 0.394 53.407 53.050 -0.061 0.000 0.707 1033 N CB -0.665 37.766 38.487 -0.094 0.000 1.043 1033 N HN 0.373 nan 8.380 nan 0.000 0.553 1034 N N 0.260 118.943 118.700 -0.028 0.000 2.472 1034 N HA 0.557 5.167 4.740 -0.215 0.000 0.289 1034 N C 0.218 175.675 175.510 -0.088 0.000 1.156 1034 N CA -0.493 52.536 53.050 -0.035 0.000 0.940 1034 N CB 1.032 39.522 38.487 0.005 0.000 1.200 1034 N HN 0.369 nan 8.380 nan 0.000 0.511 1035 I N -1.804 118.705 120.570 -0.101 0.000 2.525 1035 I HA 0.687 4.728 4.170 -0.215 0.000 0.301 1035 I C -0.072 175.943 176.117 -0.169 0.000 0.992 1035 I CA -1.053 60.173 61.300 -0.123 0.000 1.162 1035 I CB 1.627 39.564 38.000 -0.105 0.000 1.332 1035 I HN 0.151 nan 8.210 nan 0.000 0.458 1036 V N 3.884 123.642 119.914 -0.259 0.000 2.864 1036 V HA 0.643 4.634 4.120 -0.215 0.000 0.314 1036 V C -0.550 175.268 176.094 -0.461 0.000 1.073 1036 V CA -0.673 61.366 62.300 -0.436 0.000 0.956 1036 V CB 2.072 33.456 31.823 -0.732 0.000 1.023 1036 V HN 0.664 nan 8.190 nan 0.000 0.435 1037 I N 2.616 122.928 120.570 -0.430 0.000 2.436 1037 I HA 0.457 4.498 4.170 -0.215 0.000 0.289 1037 I C -0.816 175.143 176.117 -0.264 0.000 1.010 1037 I CA -0.277 60.881 61.300 -0.238 0.000 1.098 1037 I CB 1.952 39.897 38.000 -0.092 0.000 1.266 1037 I HN 0.687 nan 8.210 nan 0.000 0.434 1038 W N 3.835 125.160 121.300 0.041 0.000 2.570 1038 W HA 0.284 4.813 4.660 -0.218 0.000 0.337 1038 W C 0.419 176.950 176.519 0.020 0.000 1.067 1038 W CA -0.558 56.807 57.345 0.033 0.000 1.229 1038 W CB 1.487 30.968 29.460 0.036 0.000 1.355 1038 W HN 0.438 nan 8.180 nan 0.000 0.555 1039 N N 2.675 121.523 118.700 0.247 0.000 2.401 1039 N HA 0.100 4.710 4.740 -0.215 0.000 0.255 1039 N C 0.632 176.224 175.510 0.137 0.000 1.110 1039 N CA 0.136 53.277 53.050 0.151 0.000 0.949 1039 N CB 0.852 39.400 38.487 0.102 0.000 1.110 1039 N HN 0.413 nan 8.380 nan 0.000 0.490 1040 L N 3.391 124.669 121.223 0.091 0.000 2.376 1040 L HA -0.052 4.158 4.340 -0.215 0.000 0.219 1040 L C 1.964 178.839 176.870 0.009 0.000 1.133 1040 L CA 0.803 55.660 54.840 0.028 0.000 0.816 1040 L CB 0.043 42.103 42.059 0.001 0.000 0.933 1040 L HN 0.518 nan 8.230 nan 0.000 0.449 1041 K N -0.506 119.910 120.400 0.027 0.000 2.031 1041 K HA -0.093 4.098 4.320 -0.215 0.000 0.205 1041 K C 2.029 178.642 176.600 0.022 0.000 1.049 1041 K CA 1.864 58.162 56.287 0.018 0.000 0.939 1041 K CB -0.211 32.303 32.500 0.024 0.000 0.717 1041 K HN 0.337 nan 8.250 nan 0.000 0.438 1042 T N -3.326 111.253 114.554 0.041 0.000 3.037 1042 T HA 0.213 4.434 4.350 -0.215 0.000 0.251 1042 T C 1.531 176.268 174.700 0.061 0.000 1.079 1042 T CA 0.597 62.725 62.100 0.046 0.000 1.067 1042 T CB 0.615 69.514 68.868 0.052 0.000 0.948 1042 T HN 0.371 nan 8.240 nan 0.000 0.496 1043 G N 1.148 109.993 108.800 0.075 0.000 2.225 1043 G HA2 -0.269 3.562 3.960 -0.215 0.000 0.254 1043 G HA3 -0.269 3.562 3.960 -0.215 0.000 0.254 1043 G C -0.012 175.010 174.900 0.203 0.000 0.988 1043 G CA 0.167 45.322 45.100 0.093 0.000 0.625 1043 G HN 0.698 nan 8.290 nan 0.000 0.527 1044 Q N -0.121 119.785 119.800 0.176 0.000 2.364 1044 Q HA 0.513 4.724 4.340 -0.215 0.000 0.267 1044 Q C 0.134 176.274 176.000 0.233 0.000 0.999 1044 Q CA -0.576 55.334 55.803 0.179 0.000 0.886 1044 Q CB 1.191 29.990 28.738 0.101 0.000 1.243 1044 Q HN 0.266 nan 8.270 nan 0.000 0.415 1045 L N 3.258 124.582 121.223 0.169 0.000 2.361 1045 L HA -0.030 4.180 4.340 -0.215 0.000 0.278 1045 L C 0.171 177.012 176.870 -0.048 0.000 1.113 1045 L CA 0.539 55.358 54.840 -0.036 0.000 0.849 1045 L CB 0.598 42.604 42.059 -0.089 0.000 1.155 1045 L HN 0.709 nan 8.230 nan 0.000 0.452 1046 L N 3.966 125.142 121.223 -0.077 0.000 2.168 1046 L HA 0.233 4.444 4.340 -0.215 0.000 0.203 1046 L C 0.723 177.549 176.870 -0.072 0.000 1.078 1046 L CA 1.037 55.850 54.840 -0.045 0.000 0.780 1046 L CB -0.565 41.480 42.059 -0.023 0.000 0.939 1046 L HN 0.594 nan 8.230 nan 0.000 0.451 1047 K N -1.212 119.114 120.400 -0.124 0.000 2.568 1047 K HA 0.376 4.567 4.320 -0.215 0.000 0.273 1047 K C -1.260 175.246 176.600 -0.157 0.000 0.951 1047 K CA -0.721 55.499 56.287 -0.112 0.000 0.854 1047 K CB 2.787 35.238 32.500 -0.081 0.000 1.424 1047 K HN -0.239 nan 8.250 nan 0.000 0.427 1048 K N 2.531 122.860 120.400 -0.118 0.000 2.443 1048 K HA 0.562 4.753 4.320 -0.215 0.000 0.252 1048 K C -1.695 174.864 176.600 -0.068 0.000 0.933 1048 K CA -0.537 55.680 56.287 -0.116 0.000 0.792 1048 K CB 1.599 34.036 32.500 -0.105 0.000 1.185 1048 K HN 0.548 nan 8.250 nan 0.000 0.425 1049 M N 3.285 122.851 119.600 -0.058 0.000 2.271 1049 M HA 0.243 4.594 4.480 -0.215 0.000 0.285 1049 M C -1.520 174.783 176.300 0.006 0.000 1.059 1049 M CA -0.700 54.583 55.300 -0.029 0.000 0.940 1049 M CB 1.473 34.039 32.600 -0.057 0.000 1.636 1049 M HN 0.794 nan 8.290 nan 0.000 0.460 1050 H N 3.850 122.885 119.070 -0.058 0.000 2.722 1050 H HA 0.506 4.933 4.556 -0.214 0.000 0.328 1050 H C -1.186 174.113 175.328 -0.049 0.000 1.067 1050 H CA 0.418 56.435 56.048 -0.051 0.000 1.447 1050 H CB 0.600 30.337 29.762 -0.043 0.000 1.469 1050 H HN 0.613 nan 8.280 nan 0.000 0.544 1051 I N 4.211 124.450 120.570 -0.551 0.000 2.315 1051 I HA 0.047 4.087 4.170 -0.215 0.000 0.291 1051 I C 0.268 176.086 176.117 -0.497 0.000 1.006 1051 I CA -0.671 60.399 61.300 -0.385 0.000 1.265 1051 I CB 0.833 38.668 38.000 -0.275 0.000 1.387 1051 I HN 0.621 nan 8.210 nan 0.000 0.475 1052 D N 7.025 127.303 120.400 -0.203 0.000 2.819 1052 D HA -0.097 4.414 4.640 -0.215 0.000 0.236 1052 D C -0.037 176.202 176.300 -0.102 0.000 1.181 1052 D CA 0.272 54.225 54.000 -0.078 0.000 0.855 1052 D CB 0.373 41.156 40.800 -0.028 0.000 1.146 1052 D HN 0.488 nan 8.370 nan 0.000 0.540 1058 S N -1.019 114.626 115.700 -0.091 0.000 4.215 1058 S HA -0.113 4.228 4.470 -0.215 0.000 0.252 1058 S C -0.022 174.514 174.600 -0.106 0.000 1.861 1058 S CA 0.461 58.610 58.200 -0.084 0.000 4.220 1058 S CB -1.484 61.674 63.200 -0.070 0.000 0.214 1058 S HN 2.446 nan 8.310 nan 0.000 0.457 1059 V N 3.792 123.629 119.914 -0.129 0.000 2.370 1059 V HA 0.697 4.688 4.120 -0.215 0.000 0.279 1059 V C -0.114 175.814 176.094 -0.277 0.000 1.029 1059 V CA -0.079 62.099 62.300 -0.203 0.000 0.870 1059 V CB 0.672 32.369 31.823 -0.210 0.000 0.984 1059 V HN 1.027 nan 8.190 nan 0.000 0.451 1060 C N 7.735 126.884 119.300 -0.251 0.000 2.255 1060 C HA 0.553 4.884 4.460 -0.215 0.000 0.326 1060 C C 1.270 176.114 174.990 -0.243 0.000 1.258 1060 C CA -0.454 58.451 59.018 -0.188 0.000 1.676 1060 C CB -0.291 27.387 27.740 -0.103 0.000 2.314 1060 C HN 1.030 nan 8.230 nan 0.000 0.509 1061 H N 2.654 121.720 119.070 -0.007 0.000 2.551 1061 H HA 0.165 4.590 4.556 -0.218 0.000 0.266 1061 H C 0.249 175.524 175.328 -0.089 0.000 0.964 1061 H CA 0.603 56.652 56.048 0.003 0.000 1.180 1061 H CB 0.426 30.228 29.762 0.067 0.000 1.408 1061 H HN 0.564 nan 8.280 nan 0.000 0.563 1062 K N 0.030 120.380 120.400 -0.083 0.000 2.636 1062 K HA 0.487 4.677 4.320 -0.215 0.000 0.268 1062 K C -1.941 174.418 176.600 -0.403 0.000 0.958 1062 K CA -0.283 55.828 56.287 -0.294 0.000 0.875 1062 K CB 1.427 33.678 32.500 -0.415 0.000 1.382 1062 K HN 0.045 nan 8.250 nan 0.000 0.405 1063 A N 3.109 125.640 122.820 -0.482 0.000 2.374 1063 A HA 0.791 4.981 4.320 -0.215 0.000 0.305 1063 A C -1.804 175.538 177.584 -0.402 0.000 1.053 1063 A CA -0.550 51.282 52.037 -0.341 0.000 0.726 1063 A CB 0.618 19.553 19.000 -0.110 0.000 1.229 1063 A HN 0.478 nan 8.150 nan 0.000 0.431 1064 Y N 0.235 120.615 120.300 0.133 0.000 2.536 1064 Y HA 0.763 5.223 4.550 -0.151 0.000 0.347 1064 Y C 0.559 176.609 175.900 0.249 0.000 1.000 1064 Y CA -0.884 57.306 58.100 0.151 0.000 1.051 1064 Y CB 2.498 41.036 38.460 0.130 0.000 1.259 1064 Y HN 0.583 nan 8.280 nan 0.000 0.468 1065 S N 1.159 117.075 115.700 0.361 0.000 2.532 1065 S HA 0.696 5.037 4.470 -0.215 0.000 0.299 1065 S C -1.358 173.409 174.600 0.280 0.000 1.105 1065 S CA -0.476 57.914 58.200 0.316 0.000 1.018 1065 S CB 0.837 64.144 63.200 0.179 0.000 1.021 1065 S HN 0.730 nan 8.310 nan 0.000 0.483 1066 E N 3.069 123.475 120.200 0.344 0.000 2.347 1066 E HA 0.325 4.546 4.350 -0.215 0.000 0.285 1066 E C -0.784 175.952 176.600 0.227 0.000 0.925 1066 E CA -0.632 55.906 56.400 0.230 0.000 0.779 1066 E CB 1.320 31.109 29.700 0.149 0.000 1.233 1066 E HN 0.636 nan 8.360 nan 0.000 0.414 1067 M N 1.423 121.101 119.600 0.130 0.000 2.537 1067 M HA -0.226 4.125 4.480 -0.215 0.000 0.205 1067 M C 0.790 177.137 176.300 0.078 0.000 0.450 1067 M CA 1.453 56.810 55.300 0.097 0.000 0.553 1067 M CB -2.594 30.069 32.600 0.106 0.000 2.046 1067 M HN 1.083 nan 8.290 nan 0.000 0.797 1068 G N -0.825 108.018 108.800 0.071 0.000 2.212 1068 G HA2 -0.293 3.538 3.960 -0.215 0.000 0.266 1068 G HA3 -0.293 3.538 3.960 -0.215 0.000 0.266 1068 G C 0.205 175.116 174.900 0.017 0.000 0.978 1068 G CA 0.592 45.715 45.100 0.039 0.000 0.632 1068 G HN 0.527 nan 8.290 nan 0.000 0.537 1069 L N 0.083 121.325 121.223 0.033 0.000 2.357 1069 L HA 0.723 4.934 4.340 -0.215 0.000 0.273 1069 L C 0.237 177.052 176.870 -0.091 0.000 1.080 1069 L CA -1.129 53.652 54.840 -0.098 0.000 0.803 1069 L CB 1.439 43.367 42.059 -0.219 0.000 1.174 1069 L HN 0.085 nan 8.230 nan 0.000 0.443 1070 L N 2.506 123.594 121.223 -0.225 0.000 2.295 1070 L HA 0.484 4.695 4.340 -0.215 0.000 0.285 1070 L C -1.019 175.678 176.870 -0.288 0.000 1.035 1070 L CA 0.267 55.041 54.840 -0.111 0.000 0.806 1070 L CB 1.016 43.029 42.059 -0.075 0.000 1.214 1070 L HN 0.197 nan 8.230 nan 0.000 0.426 1071 F N 6.195 126.217 119.950 0.120 0.000 2.427 1071 F HA 0.548 4.997 4.527 -0.130 0.000 0.348 1071 F C 0.144 176.015 175.800 0.119 0.000 1.125 1071 F CA -0.700 57.405 58.000 0.176 0.000 0.989 1071 F CB 1.217 40.414 39.000 0.327 0.000 1.165 1071 F HN 0.299 nan 8.300 nan 0.000 0.442 1072 I N 2.301 122.982 120.570 0.185 0.000 2.466 1072 I HA 0.736 4.777 4.170 -0.215 0.000 0.289 1072 I C -1.337 174.835 176.117 0.091 0.000 1.026 1072 I CA -1.159 60.178 61.300 0.063 0.000 1.078 1072 I CB 1.908 39.906 38.000 -0.002 0.000 1.249 1072 I HN 0.380 nan 8.210 nan 0.000 0.429 1073 V N 7.489 127.429 119.914 0.044 0.000 2.394 1073 V HA 0.592 4.583 4.120 -0.215 0.000 0.282 1073 V C -1.087 175.083 176.094 0.126 0.000 1.031 1073 V CA -0.148 62.206 62.300 0.088 0.000 0.881 1073 V CB 1.334 33.174 31.823 0.029 0.000 0.982 1073 V HN 0.675 nan 8.190 nan 0.000 0.451 1074 L N 6.213 127.532 121.223 0.160 0.000 2.354 1074 L HA 0.800 5.011 4.340 -0.215 0.000 0.269 1074 L C 0.311 177.257 176.870 0.125 0.000 1.005 1074 L CA 0.281 55.188 54.840 0.112 0.000 0.819 1074 L CB 2.184 44.254 42.059 0.017 0.000 1.311 1074 L HN 1.020 nan 8.230 nan 0.000 0.423 1089 V N -0.488 119.363 119.914 -0.105 0.000 2.261 1089 V HA -0.078 3.913 4.120 -0.215 0.000 0.246 1089 V C 1.043 176.816 176.094 -0.535 0.000 1.047 1089 V CA 1.653 63.800 62.300 -0.255 0.000 1.015 1089 V CB -0.486 31.183 31.823 -0.256 0.000 0.642 1089 V HN 0.254 nan 8.190 nan 0.000 0.446 1090 F N -1.020 118.720 119.950 -0.349 0.000 2.523 1090 F HA 0.671 5.075 4.527 -0.206 0.000 0.329 1090 F C 0.090 175.887 175.800 -0.006 0.000 1.061 1090 F CA -0.793 57.056 58.000 -0.252 0.000 0.967 1090 F CB 1.563 40.318 39.000 -0.408 0.000 1.218 1090 F HN -0.032 nan 8.300 nan 0.000 0.480 1091 Q N 1.998 121.959 119.800 0.269 0.000 2.315 1091 Q HA 0.577 4.788 4.340 -0.215 0.000 0.273 1091 Q C -2.198 173.948 176.000 0.243 0.000 1.053 1091 Q CA -0.976 54.948 55.803 0.201 0.000 0.817 1091 Q CB 2.548 31.319 28.738 0.055 0.000 1.326 1091 Q HN 0.733 nan 8.270 nan 0.000 0.423 1092 L N 5.325 126.706 121.223 0.263 0.000 2.280 1092 L HA 0.579 4.790 4.340 -0.215 0.000 0.287 1092 L C -1.439 175.519 176.870 0.148 0.000 1.023 1092 L CA -0.234 54.761 54.840 0.259 0.000 0.819 1092 L CB 1.123 43.415 42.059 0.387 0.000 1.212 1092 L HN 0.664 nan 8.230 nan 0.000 0.420 1093 I N 5.443 126.077 120.570 0.106 0.000 2.392 1093 I HA 0.416 4.457 4.170 -0.215 0.000 0.295 1093 I C -0.688 175.423 176.117 -0.011 0.000 0.985 1093 I CA -0.965 60.353 61.300 0.030 0.000 1.221 1093 I CB 1.874 39.867 38.000 -0.012 0.000 1.366 1093 I HN 0.244 nan 8.210 nan 0.000 0.467 1094 V N 7.257 127.115 119.914 -0.093 0.000 2.384 1094 V HA 0.482 4.472 4.120 -0.215 0.000 0.287 1094 V C -0.119 175.827 176.094 -0.246 0.000 1.020 1094 V CA -0.424 61.692 62.300 -0.305 0.000 0.850 1094 V CB 1.694 33.305 31.823 -0.354 0.000 0.987 1094 V HN 0.463 nan 8.190 nan 0.000 0.436 1095 I N 3.789 124.193 120.570 -0.276 0.000 2.509 1095 I HA 0.408 4.449 4.170 -0.215 0.000 0.293 1095 I C 0.067 176.084 176.117 -0.167 0.000 1.020 1095 I CA -0.363 60.833 61.300 -0.173 0.000 1.088 1095 I CB 1.856 39.781 38.000 -0.125 0.000 1.267 1095 I HN 0.585 nan 8.210 nan 0.000 0.430 1096 N N 6.910 125.542 118.700 -0.113 0.000 2.469 1096 N HA 0.262 4.873 4.740 -0.215 0.000 0.239 1096 N C -1.928 173.545 175.510 -0.061 0.000 1.053 1096 N CA -1.665 51.336 53.050 -0.082 0.000 0.937 1096 N CB 1.229 39.679 38.487 -0.061 0.000 1.163 1096 N HN 0.303 nan 8.380 nan 0.000 0.509 1097 P HA -0.161 nan 4.420 nan 0.000 0.222 1097 P C 1.128 178.408 177.300 -0.033 0.000 1.147 1097 P CA 0.733 63.807 63.100 -0.044 0.000 0.790 1097 P CB 0.243 31.922 31.700 -0.035 0.000 0.780 1098 K N -0.220 120.163 120.400 -0.028 0.000 2.116 1098 K HA -0.035 4.155 4.320 -0.215 0.000 0.203 1098 K C 2.010 178.597 176.600 -0.021 0.000 1.052 1098 K CA 1.925 58.200 56.287 -0.021 0.000 0.952 1098 K CB -1.613 30.878 32.500 -0.015 0.000 0.729 1098 K HN 0.395 nan 8.250 nan 0.000 0.446 1099 T N -4.043 110.496 114.554 -0.025 0.000 3.022 1099 T HA 0.120 4.341 4.350 -0.215 0.000 0.250 1099 T C 0.860 175.546 174.700 -0.024 0.000 1.060 1099 T CA 0.992 63.079 62.100 -0.022 0.000 1.013 1099 T CB -0.167 68.688 68.868 -0.022 0.000 0.982 1099 T HN 0.427 nan 8.240 nan 0.000 0.508 1100 T N 1.415 115.951 114.554 -0.030 0.000 6.157 1100 T HA -0.144 4.077 4.350 -0.215 0.000 0.281 1100 T C -0.036 174.646 174.700 -0.029 0.000 2.039 1100 T CA 0.795 62.877 62.100 -0.029 0.000 3.312 1100 T CB -2.315 66.541 68.868 -0.019 0.000 1.589 1100 T HN 0.562 nan 8.240 nan 0.000 1.129 1101 L N 2.183 123.385 121.223 -0.034 0.000 2.276 1101 L HA 0.600 4.811 4.340 -0.215 0.000 0.286 1101 L C 0.594 177.435 176.870 -0.049 0.000 1.061 1101 L CA -0.438 54.382 54.840 -0.033 0.000 0.807 1101 L CB 1.328 43.370 42.059 -0.028 0.000 1.177 1101 L HN 0.357 nan 8.230 nan 0.000 0.429 1102 S N 2.690 118.361 115.700 -0.048 0.000 2.538 1102 S HA 0.847 5.187 4.470 -0.215 0.000 0.288 1102 S C -0.862 173.707 174.600 -0.051 0.000 1.108 1102 S CA -0.706 57.456 58.200 -0.063 0.000 0.971 1102 S CB 2.208 65.365 63.200 -0.072 0.000 1.041 1102 S HN 0.227 nan 8.310 nan 0.000 0.483 1103 V N 1.644 121.526 119.914 -0.053 0.000 2.789 1103 V HA 0.772 4.763 4.120 -0.215 0.000 0.311 1103 V C 0.922 176.997 176.094 -0.032 0.000 1.073 1103 V CA -0.576 61.701 62.300 -0.038 0.000 0.921 1103 V CB 1.885 33.690 31.823 -0.030 0.000 1.009 1103 V HN 1.214 nan 8.190 nan 0.000 0.426 1104 G N 1.216 110.001 108.800 -0.026 0.000 2.380 1104 G HA2 0.415 4.246 3.960 -0.215 0.000 0.242 1104 G HA3 0.415 4.246 3.960 -0.215 0.000 0.242 1104 G C 0.249 175.141 174.900 -0.014 0.000 1.298 1104 G CA 0.142 45.232 45.100 -0.017 0.000 0.878 1104 G HN 0.777 nan 8.290 nan 0.000 0.542 1105 V N 3.075 122.988 119.914 -0.001 0.000 3.432 1105 V HA 0.290 4.280 4.120 -0.215 0.000 0.290 1105 V C 0.149 176.229 176.094 -0.023 0.000 1.591 1105 V CA 0.107 62.409 62.300 0.003 0.000 1.069 1105 V CB 0.006 31.851 31.823 0.036 0.000 0.892 1105 V HN 0.628 nan 8.190 nan 0.000 0.436 1106 M N 1.575 121.137 119.600 -0.063 0.000 2.324 1106 M HA 0.528 4.879 4.480 -0.215 0.000 0.288 1106 M C -1.862 174.207 176.300 -0.385 0.000 1.097 1106 M CA -0.211 54.934 55.300 -0.258 0.000 0.928 1106 M CB 2.670 35.110 32.600 -0.267 0.000 1.648 1106 M HN -0.103 nan 8.290 nan 0.000 0.460 1107 L N 3.866 124.814 121.223 -0.459 0.000 2.305 1107 L HA 0.492 4.702 4.340 -0.215 0.000 0.284 1107 L C -1.161 175.398 176.870 -0.518 0.000 1.013 1107 L CA -0.401 54.229 54.840 -0.351 0.000 0.819 1107 L CB 1.151 43.116 42.059 -0.156 0.000 1.227 1107 L HN 0.606 nan 8.230 nan 0.000 0.417 1108 Y N 2.094 122.304 120.300 -0.149 0.000 2.385 1108 Y HA 0.409 4.826 4.550 -0.223 0.000 0.341 1108 Y C 0.422 176.167 175.900 -0.259 0.000 0.965 1108 Y CA -0.421 57.474 58.100 -0.342 0.000 1.180 1108 Y CB 1.440 39.410 38.460 -0.816 0.000 1.139 1108 Y HN 0.459 nan 8.280 nan 0.000 0.502 1109 C N 3.956 123.412 119.300 0.259 0.000 2.614 1109 C HA 0.554 4.884 4.460 -0.215 0.000 0.320 1109 C C 0.189 175.536 174.990 0.594 0.000 1.200 1109 C CA -1.325 57.885 59.018 0.321 0.000 1.700 1109 C CB 1.330 29.174 27.740 0.173 0.000 2.275 1109 C HN 0.753 nan 8.230 nan 0.000 0.492 1110 L N 2.839 124.337 121.223 0.459 0.000 2.439 1110 L HA 0.253 4.464 4.340 -0.215 0.000 0.269 1110 L C -1.779 175.207 176.870 0.192 0.000 1.179 1110 L CA -0.915 54.130 54.840 0.340 0.000 0.828 1110 L CB 0.218 42.418 42.059 0.234 0.000 1.106 1110 L HN 0.458 nan 8.230 nan 0.000 0.467 1111 P HA 0.044 nan 4.420 nan 0.000 0.270 1111 P C -2.456 174.876 177.300 0.053 0.000 1.221 1111 P CA -0.800 62.336 63.100 0.060 0.000 0.788 1111 P CB -0.384 31.320 31.700 0.006 0.000 0.904 1112 P HA 0.031 nan 4.420 nan 0.000 0.255 1112 P C 0.528 177.844 177.300 0.026 0.000 1.161 1112 P CA 1.549 64.669 63.100 0.033 0.000 0.768 1112 P CB -0.508 31.207 31.700 0.024 0.000 0.746 1113 G N 1.911 110.729 108.800 0.030 0.000 2.385 1113 G HA2 -0.186 3.644 3.960 -0.215 0.000 0.294 1113 G HA3 -0.186 3.644 3.960 -0.215 0.000 0.294 1113 G C -0.350 174.563 174.900 0.022 0.000 1.070 1113 G CA -0.305 44.809 45.100 0.024 0.000 1.172 1113 G HN 0.652 nan 8.290 nan 0.000 0.516 1114 Q N -0.416 119.403 119.800 0.032 0.000 2.274 1114 Q HA 0.752 4.963 4.340 -0.215 0.000 0.268 1114 Q C -0.095 175.930 176.000 0.042 0.000 1.015 1114 Q CA 0.287 56.108 55.803 0.030 0.000 0.775 1114 Q CB 1.639 30.395 28.738 0.031 0.000 1.256 1114 Q HN 1.333 nan 8.270 nan 0.000 0.442 1115 A N 1.952 124.790 122.820 0.031 0.000 2.295 1115 A HA 0.899 5.090 4.320 -0.215 0.000 0.318 1115 A C 0.249 177.855 177.584 0.036 0.000 1.134 1115 A CA 0.280 52.339 52.037 0.037 0.000 0.827 1115 A CB 1.197 20.214 19.000 0.029 0.000 1.136 1115 A HN 0.907 nan 8.150 nan 0.000 0.493 1116 G N -0.365 108.463 108.800 0.047 0.000 2.691 1116 G HA2 0.555 4.385 3.960 -0.215 0.000 0.169 1116 G HA3 0.555 4.385 3.960 -0.215 0.000 0.169 1116 G C 0.301 175.244 174.900 0.071 0.000 1.638 1116 G CA 0.705 45.838 45.100 0.054 0.000 0.822 1116 G HN 1.255 nan 8.290 nan 0.000 0.768 1117 R N -0.450 120.087 120.500 0.061 0.000 2.832 1117 R HA 0.708 4.919 4.340 -0.215 0.000 0.271 1117 R C -0.612 175.735 176.300 0.079 0.000 0.996 1117 R CA -0.912 55.234 56.100 0.078 0.000 0.977 1117 R CB 0.369 30.711 30.300 0.070 0.000 1.168 1117 R HN 0.707 nan 8.270 nan 0.000 0.482 1118 F N 1.660 121.574 119.950 -0.060 0.000 2.623 1118 F HA 0.203 4.601 4.527 -0.215 0.000 0.383 1118 F C 0.780 176.550 175.800 -0.051 0.000 1.077 1118 F CA 0.290 58.224 58.000 -0.111 0.000 1.268 1118 F CB 0.743 39.605 39.000 -0.231 0.000 1.053 1118 F HN 0.462 nan 8.300 nan 0.000 0.571 1119 L N 3.446 124.179 121.223 -0.816 0.000 2.638 1119 L HA 0.345 4.556 4.340 -0.215 0.000 0.195 1119 L C -0.496 175.914 176.870 -0.766 0.000 1.065 1119 L CA 1.111 55.643 54.840 -0.514 0.000 0.859 1119 L CB -0.295 41.616 42.059 -0.247 0.000 1.269 1119 L HN 0.805 nan 8.230 nan 0.000 0.484 1120 E N -1.751 117.817 120.200 -1.053 0.000 2.423 1120 E HA 0.624 4.844 4.350 -0.215 0.000 0.280 1120 E C -0.714 175.600 176.600 -0.476 0.000 1.030 1120 E CA -0.380 55.644 56.400 -0.627 0.000 0.812 1120 E CB 1.266 30.895 29.700 -0.119 0.000 1.313 1120 E HN 0.125 nan 8.360 nan 0.000 0.456 1121 G N 0.227 109.102 108.800 0.123 0.000 2.600 1121 G HA2 0.530 4.361 3.960 -0.215 0.000 0.293 1121 G HA3 0.530 4.361 3.960 -0.215 0.000 0.293 1121 G C -1.849 173.230 174.900 0.298 0.000 1.408 1121 G CA -0.306 44.968 45.100 0.290 0.000 0.782 1121 G HN 0.649 nan 8.290 nan 0.000 0.482 1122 D N -1.510 119.060 120.400 0.283 0.000 2.803 1122 D HA 0.508 5.019 4.640 -0.215 0.000 0.218 1122 D C -1.097 175.405 176.300 0.337 0.000 1.245 1122 D CA -0.171 54.011 54.000 0.304 0.000 0.821 1122 D CB 2.283 43.242 40.800 0.264 0.000 1.626 1122 D HN 0.815 nan 8.370 nan 0.000 0.487 1123 V N 2.116 122.151 119.914 0.201 0.000 2.735 1123 V HA 0.798 4.789 4.120 -0.215 0.000 0.310 1123 V C -1.565 174.427 176.094 -0.170 0.000 1.061 1123 V CA -0.497 61.784 62.300 -0.031 0.000 0.913 1123 V CB 1.755 33.445 31.823 -0.222 0.000 1.005 1123 V HN 0.612 nan 8.190 nan 0.000 0.428 1124 K N 4.464 124.525 120.400 -0.566 0.000 2.507 1124 K HA 0.482 4.673 4.320 -0.215 0.000 0.251 1124 K C -0.282 176.019 176.600 -0.499 0.000 0.943 1124 K CA -0.240 55.751 56.287 -0.494 0.000 0.794 1124 K CB 1.490 33.641 32.500 -0.581 0.000 1.188 1124 K HN 1.001 nan 8.250 nan 0.000 0.428 1125 D N 1.346 121.565 120.400 -0.301 0.000 3.996 1125 D HA -0.265 4.246 4.640 -0.215 0.000 0.140 1125 D C 0.080 176.080 176.300 -0.500 0.000 0.829 1125 D CA 1.537 55.369 54.000 -0.280 0.000 1.111 1125 D CB -0.520 40.169 40.800 -0.185 0.000 0.516 1125 D HN 0.820 nan 8.370 nan 0.000 0.517 1126 H N -0.570 118.364 119.070 -0.225 0.000 2.510 1126 H HA 0.450 4.915 4.556 -0.152 0.000 0.266 1126 H C -0.417 174.758 175.328 -0.255 0.000 1.146 1126 H CA -0.174 55.743 56.048 -0.218 0.000 0.993 1126 H CB 0.145 29.766 29.762 -0.235 0.000 1.727 1126 H HN 0.075 nan 8.280 nan 0.000 0.590 1127 C N 1.646 120.723 119.300 -0.372 0.000 2.417 1127 C HA 0.782 5.112 4.460 -0.215 0.000 0.324 1127 C C 0.532 175.309 174.990 -0.355 0.000 1.240 1127 C CA -0.614 58.161 59.018 -0.405 0.000 1.632 1127 C CB 1.078 28.401 27.740 -0.695 0.000 2.241 1127 C HN 0.616 nan 8.230 nan 0.000 0.499 1128 A N 2.214 124.958 122.820 -0.128 0.000 2.330 1128 A HA 0.922 5.113 4.320 -0.215 0.000 0.327 1128 A C -0.467 177.320 177.584 0.337 0.000 1.155 1128 A CA -0.293 51.659 52.037 -0.142 0.000 0.803 1128 A CB 0.930 19.333 19.000 -0.995 0.000 1.208 1128 A HN 1.320 nan 8.150 nan 0.000 0.477 1129 A N 0.980 124.058 122.820 0.430 0.000 2.371 1129 A HA 0.892 5.083 4.320 -0.215 0.000 0.311 1129 A C -0.238 177.597 177.584 0.418 0.000 1.068 1129 A CA 0.050 52.261 52.037 0.290 0.000 0.744 1129 A CB 1.371 20.228 19.000 -0.239 0.000 1.239 1129 A HN 2.358 nan 8.150 nan 0.000 0.435 1130 A N 1.952 125.002 122.820 0.385 0.000 2.449 1130 A HA 0.746 4.937 4.320 -0.215 0.000 0.302 1130 A C -0.823 176.759 177.584 -0.004 0.000 1.048 1130 A CA -0.436 51.739 52.037 0.231 0.000 0.708 1130 A CB 0.852 20.045 19.000 0.321 0.000 1.274 1130 A HN 0.749 nan 8.150 nan 0.000 0.410 1131 I N 2.571 123.047 120.570 -0.158 0.000 2.342 1131 I HA 0.259 4.300 4.170 -0.215 0.000 0.291 1131 I C -0.540 175.469 176.117 -0.180 0.000 1.010 1131 I CA -0.208 61.009 61.300 -0.138 0.000 1.308 1131 I CB 1.092 39.028 38.000 -0.107 0.000 1.400 1131 I HN 0.507 nan 8.210 nan 0.000 0.488 1132 L N 4.959 126.139 121.223 -0.073 0.000 2.360 1132 L HA 0.306 4.517 4.340 -0.215 0.000 0.271 1132 L C 1.662 178.514 176.870 -0.029 0.000 1.057 1132 L CA -0.527 54.286 54.840 -0.045 0.000 0.803 1132 L CB 1.390 43.460 42.059 0.018 0.000 1.207 1132 L HN 0.677 nan 8.230 nan 0.000 0.445 1133 T N -3.316 111.232 114.554 -0.010 0.000 2.822 1133 T HA -0.213 4.008 4.350 -0.215 0.000 0.270 1133 T C 1.863 176.598 174.700 0.059 0.000 1.064 1133 T CA 1.418 63.534 62.100 0.027 0.000 1.131 1133 T CB -0.424 68.463 68.868 0.032 0.000 0.858 1133 T HN 0.776 nan 8.240 nan 0.000 0.483 1134 S N 1.580 117.297 115.700 0.028 0.000 2.370 1134 S HA 0.176 4.517 4.470 -0.215 0.000 0.226 1134 S C 2.174 176.717 174.600 -0.094 0.000 1.033 1134 S CA 1.345 59.553 58.200 0.013 0.000 1.011 1134 S CB -1.058 62.134 63.200 -0.013 0.000 0.852 1134 S HN 1.394 nan 8.310 nan 0.000 0.457 1135 G N -0.570 108.119 108.800 -0.186 0.000 2.367 1135 G HA2 -0.088 3.743 3.960 -0.215 0.000 0.181 1135 G HA3 -0.088 3.743 3.960 -0.215 0.000 0.181 1135 G C 0.166 174.938 174.900 -0.213 0.000 1.000 1135 G CA 0.011 44.814 45.100 -0.495 0.000 0.693 1135 G HN 0.641 nan 8.290 nan 0.000 0.480 1136 T N 1.361 115.860 114.554 -0.091 0.000 2.913 1136 T HA 0.624 4.845 4.350 -0.215 0.000 0.287 1136 T C 0.441 175.161 174.700 0.033 0.000 1.008 1136 T CA 0.093 62.211 62.100 0.030 0.000 1.067 1136 T CB 1.532 70.384 68.868 -0.026 0.000 0.996 1136 T HN 0.237 nan 8.240 nan 0.000 0.513 1137 I N 2.114 122.669 120.570 -0.024 0.000 2.353 1137 I HA 0.542 4.583 4.170 -0.215 0.000 0.293 1137 I C 0.193 176.199 176.117 -0.186 0.000 0.992 1137 I CA -0.613 60.574 61.300 -0.188 0.000 1.268 1137 I CB 1.185 38.888 38.000 -0.496 0.000 1.387 1137 I HN 0.614 nan 8.210 nan 0.000 0.478 1138 A N 7.757 130.497 122.820 -0.133 0.000 2.342 1138 A HA 0.817 5.008 4.320 -0.215 0.000 0.323 1138 A C -0.855 176.572 177.584 -0.261 0.000 1.125 1138 A CA -0.514 51.344 52.037 -0.298 0.000 0.785 1138 A CB 1.086 19.832 19.000 -0.423 0.000 1.221 1138 A HN 0.481 nan 8.150 nan 0.000 0.463 1139 I N 1.424 121.757 120.570 -0.394 0.000 2.474 1139 I HA 0.475 4.516 4.170 -0.215 0.000 0.294 1139 I C -0.538 175.453 176.117 -0.210 0.000 1.005 1139 I CA -0.957 60.273 61.300 -0.117 0.000 1.113 1139 I CB 1.129 39.097 38.000 -0.053 0.000 1.289 1139 I HN 0.682 nan 8.210 nan 0.000 0.436 1140 W N 2.895 124.238 121.300 0.072 0.000 2.864 1140 W HA 0.280 4.808 4.660 -0.220 0.000 0.343 1140 W C -0.339 176.175 176.519 -0.008 0.000 1.109 1140 W CA -0.507 56.872 57.345 0.056 0.000 1.192 1140 W CB 2.179 31.652 29.460 0.023 0.000 1.426 1140 W HN 0.405 nan 8.180 nan 0.000 0.529 1141 D N 2.232 122.801 120.400 0.282 0.000 2.313 1141 D HA 0.191 4.702 4.640 -0.215 0.000 0.239 1141 D C 0.985 177.381 176.300 0.161 0.000 1.142 1141 D CA -0.038 54.062 54.000 0.167 0.000 0.847 1141 D CB 1.388 42.284 40.800 0.161 0.000 1.082 1141 D HN 0.268 nan 8.370 nan 0.000 0.480 1142 L N 3.467 124.705 121.223 0.025 0.000 2.131 1142 L HA -0.167 4.044 4.340 -0.215 0.000 0.210 1142 L C 2.279 179.252 176.870 0.171 0.000 1.092 1142 L CA 0.799 55.634 54.840 -0.008 0.000 0.759 1142 L CB -0.087 41.919 42.059 -0.087 0.000 0.903 1142 L HN 0.465 nan 8.230 nan 0.000 0.435 1143 L N -1.276 119.986 121.223 0.065 0.000 2.049 1143 L HA -0.174 4.037 4.340 -0.215 0.000 0.203 1143 L C 2.224 179.133 176.870 0.065 0.000 1.074 1143 L CA 0.619 55.458 54.840 -0.000 0.000 0.749 1143 L CB -0.387 41.598 42.059 -0.124 0.000 0.907 1143 L HN 0.160 nan 8.230 nan 0.000 0.439 1144 L N 0.027 121.305 121.223 0.092 0.000 2.362 1144 L HA 0.014 4.225 4.340 -0.215 0.000 0.219 1144 L C 1.884 178.851 176.870 0.161 0.000 1.134 1144 L CA 1.526 56.428 54.840 0.103 0.000 0.807 1144 L CB -1.469 40.649 42.059 0.098 0.000 0.927 1144 L HN 0.466 nan 8.230 nan 0.000 0.447 1145 G N -1.006 107.958 108.800 0.273 0.000 2.212 1145 G HA2 -0.309 3.522 3.960 -0.215 0.000 0.266 1145 G HA3 -0.309 3.522 3.960 -0.215 0.000 0.266 1145 G C 0.382 175.535 174.900 0.422 0.000 0.978 1145 G CA 0.577 45.876 45.100 0.331 0.000 0.632 1145 G HN 0.525 nan 8.290 nan 0.000 0.537 1146 Q N -0.743 119.279 119.800 0.369 0.000 2.274 1146 Q HA 0.605 4.815 4.340 -0.215 0.000 0.260 1146 Q C 0.370 176.540 176.000 0.284 0.000 0.974 1146 Q CA -0.609 55.383 55.803 0.315 0.000 0.876 1146 Q CB 1.954 30.787 28.738 0.159 0.000 1.297 1146 Q HN 0.561 nan 8.270 nan 0.000 0.446 1147 C N 3.781 123.117 119.300 0.060 0.000 2.667 1147 C HA 0.116 4.447 4.460 -0.215 0.000 0.385 1147 C C 1.589 176.430 174.990 -0.248 0.000 1.299 1147 C CA 0.369 59.068 59.018 -0.531 0.000 1.554 1147 C CB -1.374 26.012 27.740 -0.589 0.000 2.275 1147 C HN 0.934 nan 8.230 nan 0.000 0.588 1148 T N 2.228 116.692 114.554 -0.150 0.000 3.129 1148 T HA 0.466 4.687 4.350 -0.215 0.000 0.251 1148 T C 0.311 174.992 174.700 -0.031 0.000 1.117 1148 T CA 0.461 62.552 62.100 -0.014 0.000 1.034 1148 T CB -0.098 68.855 68.868 0.142 0.000 0.968 1148 T HN 1.540 nan 8.240 nan 0.000 0.526 1149 A N 0.910 123.645 122.820 -0.141 0.000 2.585 1149 A HA 0.561 4.752 4.320 -0.215 0.000 0.299 1149 A C -1.789 175.664 177.584 -0.217 0.000 1.047 1149 A CA -0.944 51.017 52.037 -0.128 0.000 0.723 1149 A CB 0.667 19.645 19.000 -0.037 0.000 1.275 1149 A HN 0.197 nan 8.150 nan 0.000 0.408 1150 L N 1.876 122.994 121.223 -0.174 0.000 2.341 1150 L HA 0.668 4.879 4.340 -0.215 0.000 0.278 1150 L C -0.923 175.853 176.870 -0.157 0.000 1.005 1150 L CA -0.514 54.224 54.840 -0.171 0.000 0.818 1150 L CB 1.330 43.314 42.059 -0.124 0.000 1.259 1150 L HN 0.752 nan 8.230 nan 0.000 0.418 1151 L N 6.556 127.677 121.223 -0.171 0.000 2.353 1151 L HA 0.590 4.801 4.340 -0.215 0.000 0.270 1151 L C -2.430 174.486 176.870 0.076 0.000 1.003 1151 L CA -1.419 53.330 54.840 -0.152 0.000 0.862 1151 L CB 1.573 43.377 42.059 -0.425 0.000 1.221 1151 L HN 0.297 nan 8.230 nan 0.000 0.430 1152 P HA 0.379 nan 4.420 nan 0.000 0.276 1152 P C -2.688 174.667 177.300 0.093 0.000 1.252 1152 P CA -1.639 61.496 63.100 0.058 0.000 0.802 1152 P CB -0.217 31.466 31.700 -0.029 0.000 1.035 1153 P HA -0.003 nan 4.420 nan 0.000 0.267 1153 P C -0.313 176.689 177.300 -0.497 0.000 1.200 1153 P CA 0.186 62.854 63.100 -0.720 0.000 0.772 1153 P CB 0.146 31.495 31.700 -0.585 0.000 0.855 1158 H N -0.693 118.226 119.070 -0.252 0.000 2.948 1158 H HA 0.189 4.617 4.556 -0.215 0.000 0.351 1158 H C -0.462 174.705 175.328 -0.268 0.000 1.079 1158 H CA 0.075 55.967 56.048 -0.261 0.000 1.407 1158 H CB 0.479 30.172 29.762 -0.116 0.000 1.373 1158 H HN 0.660 nan 8.280 nan 0.000 0.605 1159 W N 1.851 123.116 121.300 -0.059 0.000 2.322 1159 W HA -0.044 4.489 4.660 -0.212 0.000 0.328 1159 W C 1.458 177.907 176.519 -0.117 0.000 1.395 1159 W CA -0.087 57.184 57.345 -0.123 0.000 1.267 1159 W CB 0.569 29.933 29.460 -0.159 0.000 1.259 1159 W HN 0.528 nan 8.180 nan 0.000 0.560 1160 S N 3.278 119.013 115.700 0.057 0.000 2.468 1160 S HA 0.194 4.535 4.470 -0.215 0.000 0.226 1160 S C -0.186 174.448 174.600 0.057 0.000 1.051 1160 S CA 0.179 58.377 58.200 -0.004 0.000 0.943 1160 S CB 0.063 63.232 63.200 -0.051 0.000 0.810 1160 S HN 0.333 nan 8.310 nan 0.000 0.509 1161 F N -0.743 119.260 119.950 0.088 0.000 2.668 1161 F HA 0.821 5.218 4.527 -0.217 0.000 0.309 1161 F C -0.998 174.769 175.800 -0.055 0.000 1.117 1161 F CA -1.335 56.669 58.000 0.006 0.000 0.951 1161 F CB 1.501 40.502 39.000 0.001 0.000 1.323 1161 F HN -0.182 nan 8.300 nan 0.000 0.451 1162 V N 1.870 121.858 119.914 0.124 0.000 2.709 1162 V HA 0.816 4.807 4.120 -0.215 0.000 0.308 1162 V C -1.571 174.503 176.094 -0.033 0.000 1.062 1162 V CA -0.495 61.761 62.300 -0.072 0.000 0.901 1162 V CB 2.069 33.741 31.823 -0.252 0.000 1.003 1162 V HN 0.864 nan 8.190 nan 0.000 0.425 1163 K N 4.728 125.065 120.400 -0.105 0.000 2.513 1163 K HA 0.524 4.714 4.320 -0.215 0.000 0.251 1163 K C -1.613 174.900 176.600 -0.146 0.000 0.939 1163 K CA -0.332 55.918 56.287 -0.061 0.000 0.793 1163 K CB 1.511 34.026 32.500 0.026 0.000 1.241 1163 K HN 0.673 nan 8.250 nan 0.000 0.431 1164 W N 1.908 123.203 121.300 -0.010 0.000 2.170 1164 W HA 0.254 4.796 4.660 -0.197 0.000 0.336 1164 W C 0.887 177.406 176.519 -0.000 0.000 1.283 1164 W CA -0.062 57.271 57.345 -0.021 0.000 1.224 1164 W CB 0.964 30.395 29.460 -0.047 0.000 1.132 1164 W HN 0.435 nan 8.180 nan 0.000 0.571 1165 S N 1.648 117.514 115.700 0.277 0.000 2.564 1165 S HA 0.276 4.617 4.470 -0.215 0.000 0.278 1165 S C 1.107 175.793 174.600 0.143 0.000 1.333 1165 S CA 0.057 58.357 58.200 0.167 0.000 1.048 1165 S CB 0.703 64.013 63.200 0.184 0.000 0.900 1165 S HN 0.702 nan 8.310 nan 0.000 0.505 1166 G N 1.989 110.828 108.800 0.065 0.000 3.042 1166 G HA2 0.082 3.913 3.960 -0.215 0.000 0.212 1166 G HA3 0.082 3.913 3.960 -0.215 0.000 0.212 1166 G C 1.118 176.018 174.900 0.000 0.000 1.166 1166 G CA 0.555 45.688 45.100 0.054 0.000 0.767 1166 G HN 0.854 nan 8.290 nan 0.000 0.546 1167 T N -2.324 112.176 114.554 -0.090 0.000 3.018 1167 T HA 0.261 4.482 4.350 -0.215 0.000 0.246 1167 T C 0.569 175.302 174.700 0.055 0.000 1.026 1167 T CA 0.824 62.754 62.100 -0.283 0.000 1.081 1167 T CB 0.477 68.949 68.868 -0.661 0.000 0.970 1167 T HN 0.333 nan 8.240 nan 0.000 0.475 1168 D N 0.154 120.643 120.400 0.148 0.000 2.946 1168 D HA 0.374 4.885 4.640 -0.215 0.000 0.337 1168 D C -0.750 175.676 176.300 0.211 0.000 1.332 1168 D CA -0.731 53.408 54.000 0.233 0.000 0.935 1168 D CB 0.770 41.784 40.800 0.357 0.000 1.440 1168 D HN -0.072 nan 8.370 nan 0.000 0.540 1169 S N -0.868 114.897 115.700 0.108 0.000 3.983 1169 S HA 0.252 4.593 4.470 -0.215 0.000 0.194 1169 S C -1.183 173.287 174.600 -0.217 0.000 1.464 1169 S CA -0.231 57.957 58.200 -0.021 0.000 1.021 1169 S CB -1.464 61.681 63.200 -0.091 0.000 1.424 1169 S HN 0.371 nan 8.310 nan 0.000 0.473 1170 H N 0.812 120.009 119.070 0.211 0.000 2.622 1170 H HA 0.488 4.916 4.556 -0.214 0.000 0.363 1170 H C -0.456 174.980 175.328 0.180 0.000 1.151 1170 H CA -0.708 55.459 56.048 0.198 0.000 1.184 1170 H CB 1.242 31.107 29.762 0.172 0.000 1.643 1170 H HN 0.290 nan 8.280 nan 0.000 0.531 1171 L N 3.701 125.019 121.223 0.158 0.000 2.309 1171 L HA 0.422 4.633 4.340 -0.215 0.000 0.282 1171 L C -1.104 175.744 176.870 -0.036 0.000 1.036 1171 L CA -0.802 53.924 54.840 -0.191 0.000 0.806 1171 L CB 0.728 42.524 42.059 -0.439 0.000 1.220 1171 L HN 0.529 nan 8.230 nan 0.000 0.429 1172 L N 4.848 125.991 121.223 -0.132 0.000 2.298 1172 L HA 0.602 4.813 4.340 -0.215 0.000 0.284 1172 L C -0.130 176.660 176.870 -0.133 0.000 1.013 1172 L CA -0.398 54.393 54.840 -0.080 0.000 0.824 1172 L CB 1.505 43.524 42.059 -0.066 0.000 1.221 1172 L HN 0.613 nan 8.230 nan 0.000 0.418 1173 A N 2.417 125.159 122.820 -0.129 0.000 2.318 1173 A HA 0.876 5.067 4.320 -0.215 0.000 0.317 1173 A C -0.023 177.522 177.584 -0.065 0.000 1.159 1173 A CA -0.371 51.470 52.037 -0.328 0.000 0.799 1173 A CB 1.500 19.884 19.000 -1.026 0.000 1.194 1173 A HN 0.744 nan 8.150 nan 0.000 0.479 1174 G N 0.901 109.542 108.800 -0.265 0.000 2.481 1174 G HA2 0.591 4.422 3.960 -0.215 0.000 0.315 1174 G HA3 0.591 4.422 3.960 -0.215 0.000 0.315 1174 G C -0.813 173.862 174.900 -0.375 0.000 1.231 1174 G CA -0.566 44.255 45.100 -0.464 0.000 0.968 1174 G HN 0.790 nan 8.290 nan 0.000 0.482 1175 Q N 0.366 120.072 119.800 -0.156 0.000 2.297 1175 Q HA 0.354 4.565 4.340 -0.215 0.000 0.269 1175 Q C 0.629 176.581 176.000 -0.081 0.000 1.051 1175 Q CA -1.007 54.736 55.803 -0.100 0.000 0.869 1175 Q CB 2.692 31.410 28.738 -0.034 0.000 1.346 1175 Q HN 0.493 nan 8.270 nan 0.000 0.457 1176 K N 0.842 121.235 120.400 -0.012 0.000 2.152 1176 K HA -0.183 4.008 4.320 -0.215 0.000 0.206 1176 K C 0.746 177.383 176.600 0.062 0.000 1.048 1176 K CA 1.823 58.148 56.287 0.062 0.000 0.933 1176 K CB 0.020 32.551 32.500 0.053 0.000 0.721 1176 K HN 0.672 nan 8.250 nan 0.000 0.447 1177 D N -1.477 118.941 120.400 0.030 0.000 2.352 1177 D HA 0.002 4.513 4.640 -0.215 0.000 0.232 1177 D C 0.983 177.305 176.300 0.036 0.000 1.055 1177 D CA 0.811 54.830 54.000 0.032 0.000 0.891 1177 D CB 0.269 41.080 40.800 0.017 0.000 0.897 1177 D HN 0.282 nan 8.370 nan 0.000 0.529 1178 G N -0.470 108.356 108.800 0.044 0.000 2.213 1178 G HA2 -0.264 3.567 3.960 -0.215 0.000 0.226 1178 G HA3 -0.264 3.567 3.960 -0.215 0.000 0.226 1178 G C -0.043 174.835 174.900 -0.038 0.000 0.992 1178 G CA -0.340 44.785 45.100 0.042 0.000 0.632 1178 G HN 0.346 nan 8.290 nan 0.000 0.511 1179 N N 1.324 119.983 118.700 -0.068 0.000 2.470 1179 N HA 0.482 5.093 4.740 -0.215 0.000 0.268 1179 N C 0.109 175.491 175.510 -0.213 0.000 1.136 1179 N CA 0.156 53.090 53.050 -0.193 0.000 0.961 1179 N CB 0.786 39.163 38.487 -0.183 0.000 1.067 1179 N HN 0.237 nan 8.380 nan 0.000 0.468 1180 I N 3.146 123.493 120.570 -0.371 0.000 2.378 1180 I HA 0.361 4.402 4.170 -0.215 0.000 0.291 1180 I C -0.274 175.576 176.117 -0.446 0.000 0.992 1180 I CA -0.530 60.597 61.300 -0.288 0.000 1.154 1180 I CB 0.325 38.125 38.000 -0.333 0.000 1.315 1180 I HN 0.225 nan 8.210 nan 0.000 0.448 1181 F N 4.931 124.880 119.950 -0.001 0.000 2.458 1181 F HA 0.491 4.888 4.527 -0.216 0.000 0.336 1181 F C 0.252 175.933 175.800 -0.199 0.000 1.114 1181 F CA -0.861 57.097 58.000 -0.069 0.000 0.987 1181 F CB 1.869 40.928 39.000 0.099 0.000 1.130 1181 F HN 0.022 nan 8.300 nan 0.000 0.458 1182 V N 4.184 124.027 119.914 -0.119 0.000 2.357 1182 V HA 0.327 4.317 4.120 -0.215 0.000 0.284 1182 V C -0.912 175.089 176.094 -0.154 0.000 1.018 1182 V CA -1.052 61.204 62.300 -0.073 0.000 0.841 1182 V CB 0.620 32.432 31.823 -0.018 0.000 0.991 1182 V HN 0.529 nan 8.190 nan 0.000 0.437 1183 Y N 2.934 123.335 120.300 0.169 0.000 2.341 1183 Y HA 0.421 4.841 4.550 -0.216 0.000 0.337 1183 Y C 0.606 176.689 175.900 0.305 0.000 1.014 1183 Y CA -0.605 57.615 58.100 0.201 0.000 1.111 1183 Y CB 0.997 39.493 38.460 0.060 0.000 1.194 1183 Y HN 0.614 nan 8.280 nan 0.000 0.462 1184 H N 3.846 123.131 119.070 0.359 0.000 2.722 1184 H HA 0.061 4.489 4.556 -0.214 0.000 0.328 1184 H C -1.548 173.891 175.328 0.185 0.000 1.067 1184 H CA -0.003 56.123 56.048 0.130 0.000 1.447 1184 H CB 0.500 30.306 29.762 0.074 0.000 1.469 1184 H HN 0.834 nan 8.280 nan 0.000 0.544 1185 Y N 3.876 123.853 120.300 -0.537 0.000 2.331 1185 Y HA 0.237 4.654 4.550 -0.220 0.000 0.338 1185 Y C -0.599 175.086 175.900 -0.358 0.000 0.992 1185 Y CA -0.212 57.751 58.100 -0.229 0.000 1.121 1185 Y CB 1.026 39.533 38.460 0.079 0.000 1.184 1185 Y HN 0.517 nan 8.280 nan 0.000 0.469 1186 S N 0.000 115.329 115.700 -0.618 0.000 2.498 1186 S HA 0.000 4.341 4.470 -0.215 0.000 0.327 1186 S CA 0.000 58.000 58.200 -0.333 0.000 1.107 1186 S CB 0.000 63.163 63.200 -0.062 0.000 0.593 1186 S HN 0.000 nan 8.310 nan 0.000 0.517