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 1kbi_1_B DATA FIRST_RESID 99 DATA SEQUENCE PGETKEDIAR KEQLKSLLPP LDNIINLYDF EYLASQTLTK QAWAYYSSGA DATA SEQUENCE NDEVTHRENH NAYHRIFFKP KILVDVRKVD ISTDMLGSHV DVPFYVSATA DATA SEQUENCE LCKLGNPLEG EKDVARGCGQ GVTKVPQMIS TLASCSPEEI IEAAPSDKQI DATA SEQUENCE QWYQLYVNSD RKITDDLVKN VEKLGVKALF VTVDAPSLGQ REKDMKLKFS DATA SEQUENCE NTXXXXXXXX KTNVEESQGA SRALSKFIDP SLTWKDIEEL KKKTKLPIVI DATA SEQUENCE KGVQRTEDVI KAAEIGVSGV VLSNHGGRQL DFSRAPIEVL AETMPILEQR DATA SEQUENCE NLKDKLEVFV DGGVRRGTDV LKALCLGAKG VGLGRPFLYA NSCYGRNGVE DATA SEQUENCE KAIEILRDEI EMSMRLLGVT SIAELKPDLL DLSTLKARTV GVPNDVLYNE DATA SEQUENCE VYEGPTLTEF EDA 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 99 P HA 0.000 nan 4.420 nan 0.000 0.216 99 P C 0.000 177.290 177.300 -0.017 0.000 1.155 99 P CA 0.000 63.084 63.100 -0.026 0.000 0.800 99 P CB 0.000 31.686 31.700 -0.023 0.000 0.726 100 G N 0.257 109.051 108.800 -0.010 0.000 2.143 100 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.175 100 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.175 100 G C -0.249 174.650 174.900 -0.000 0.000 1.004 100 G CA 0.129 45.228 45.100 -0.002 0.000 0.671 100 G HN 0.552 nan 8.290 nan 0.000 0.512 101 E N 2.291 122.488 120.200 -0.006 0.000 2.089 101 E HA 0.536 4.886 4.350 -0.000 0.000 0.284 101 E C 1.316 177.910 176.600 -0.009 0.000 1.023 101 E CA 0.455 56.850 56.400 -0.008 0.000 0.819 101 E CB 0.426 30.118 29.700 -0.013 0.000 1.076 101 E HN 0.488 nan 8.360 nan 0.000 0.396 102 T N 0.999 115.549 114.554 -0.008 0.000 2.640 102 T HA -0.001 4.349 4.350 -0.000 0.000 0.316 102 T C 1.234 175.928 174.700 -0.010 0.000 1.036 102 T CA -0.059 62.036 62.100 -0.007 0.000 1.009 102 T CB 0.736 69.600 68.868 -0.006 0.000 1.017 102 T HN 0.537 nan 8.240 nan 0.000 0.530 103 K N -0.011 120.384 120.400 -0.009 0.000 2.116 103 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 103 K C 2.032 178.625 176.600 -0.013 0.000 1.052 103 K CA 1.228 57.508 56.287 -0.010 0.000 0.952 103 K CB -0.114 32.381 32.500 -0.008 0.000 0.729 103 K HN 0.746 nan 8.250 nan 0.000 0.446 104 E N 0.569 120.762 120.200 -0.012 0.000 2.371 104 E HA -0.082 4.267 4.350 -0.000 0.000 0.194 104 E C 1.327 177.916 176.600 -0.019 0.000 1.012 104 E CA 0.510 56.901 56.400 -0.015 0.000 0.860 104 E CB 0.215 29.907 29.700 -0.012 0.000 0.811 104 E HN 0.298 nan 8.360 nan 0.000 0.502 105 D N 0.556 120.944 120.400 -0.020 0.000 2.103 105 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 105 D C 1.849 178.131 176.300 -0.030 0.000 0.978 105 D CA 0.774 54.759 54.000 -0.026 0.000 0.829 105 D CB 0.182 40.969 40.800 -0.021 0.000 0.981 105 D HN 0.099 nan 8.370 nan 0.000 0.464 106 I N 1.618 122.173 120.570 -0.025 0.000 2.226 106 I HA -0.211 3.958 4.170 -0.000 0.000 0.245 106 I C 2.547 178.648 176.117 -0.027 0.000 1.100 106 I CA 0.576 61.861 61.300 -0.026 0.000 1.374 106 I CB -1.247 36.741 38.000 -0.020 0.000 1.057 106 I HN -0.133 nan 8.210 nan 0.000 0.413 107 A N 0.917 123.723 122.820 -0.023 0.000 1.841 107 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 107 A C 2.558 180.126 177.584 -0.027 0.000 1.199 107 A CA 2.066 54.090 52.037 -0.022 0.000 0.621 107 A CB -0.870 18.119 19.000 -0.018 0.000 0.835 107 A HN 0.335 nan 8.150 nan 0.000 0.445 108 R N -0.074 120.408 120.500 -0.031 0.000 2.103 108 R HA -0.203 4.136 4.340 -0.000 0.000 0.242 108 R C 2.147 178.418 176.300 -0.049 0.000 1.142 108 R CA 2.094 58.171 56.100 -0.037 0.000 0.960 108 R CB -0.270 30.006 30.300 -0.041 0.000 0.858 108 R HN 0.582 nan 8.270 nan 0.000 0.439 109 K N -0.197 120.171 120.400 -0.054 0.000 2.057 109 K HA -0.099 4.220 4.320 -0.000 0.000 0.206 109 K C 2.006 178.572 176.600 -0.058 0.000 1.050 109 K CA 1.137 57.384 56.287 -0.066 0.000 0.935 109 K CB -0.003 32.457 32.500 -0.067 0.000 0.715 109 K HN 0.176 nan 8.250 nan 0.000 0.439 110 E N 0.999 121.173 120.200 -0.044 0.000 2.150 110 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 110 E C 1.987 178.566 176.600 -0.036 0.000 0.985 110 E CA 0.973 57.351 56.400 -0.037 0.000 0.814 110 E CB -0.005 29.679 29.700 -0.028 0.000 0.752 110 E HN 0.362 nan 8.360 nan 0.000 0.466 111 Q N 0.379 120.158 119.800 -0.034 0.000 2.083 111 Q HA -0.081 4.259 4.340 -0.000 0.000 0.198 111 Q C 2.367 178.346 176.000 -0.034 0.000 0.969 111 Q CA 0.660 56.446 55.803 -0.029 0.000 0.838 111 Q CB 0.026 28.749 28.738 -0.025 0.000 0.900 111 Q HN 0.271 nan 8.270 nan 0.000 0.436 112 L N 0.539 121.733 121.223 -0.049 0.000 2.046 112 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 112 L C 2.435 179.266 176.870 -0.065 0.000 1.077 112 L CA 1.309 56.113 54.840 -0.060 0.000 0.747 112 L CB -0.259 41.746 42.059 -0.090 0.000 0.896 112 L HN 0.139 nan 8.230 nan 0.000 0.432 113 K N -0.251 120.105 120.400 -0.073 0.000 2.209 113 K HA -0.133 4.186 4.320 -0.000 0.000 0.204 113 K C 2.191 178.755 176.600 -0.059 0.000 1.048 113 K CA 1.564 57.800 56.287 -0.086 0.000 0.940 113 K CB -0.168 32.282 32.500 -0.083 0.000 0.729 113 K HN 0.371 nan 8.250 nan 0.000 0.451 114 S N 0.581 116.259 115.700 -0.036 0.000 2.489 114 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 114 S C 1.586 176.184 174.600 -0.003 0.000 0.995 114 S CA 0.390 58.580 58.200 -0.016 0.000 0.934 114 S CB -0.117 63.076 63.200 -0.012 0.000 0.771 114 S HN 0.203 nan 8.310 nan 0.000 0.522 115 L N 1.137 122.355 121.223 -0.008 0.000 2.628 115 L HA 0.416 4.755 4.340 -0.000 0.000 0.229 115 L C 0.140 177.026 176.870 0.026 0.000 1.137 115 L CA -0.283 54.563 54.840 0.009 0.000 0.909 115 L CB -0.204 41.857 42.059 0.003 0.000 1.137 115 L HN 0.235 nan 8.230 nan 0.000 0.470 116 L N 2.891 124.123 121.223 0.016 0.000 2.525 116 L HA 0.054 4.394 4.340 -0.000 0.000 0.278 116 L C -1.420 175.538 176.870 0.146 0.000 1.218 116 L CA -1.127 53.745 54.840 0.054 0.000 0.878 116 L CB 0.054 42.081 42.059 -0.054 0.000 1.127 116 L HN -0.030 nan 8.230 nan 0.000 0.492 117 P HA 0.195 nan 4.420 nan 0.000 0.272 117 P C -2.624 174.789 177.300 0.189 0.000 1.240 117 P CA -1.404 61.786 63.100 0.150 0.000 0.791 117 P CB -0.245 31.523 31.700 0.113 0.000 0.978 118 P HA 0.028 nan 4.420 nan 0.000 0.268 118 P C 1.081 178.363 177.300 -0.029 0.000 1.204 118 P CA -0.186 62.953 63.100 0.064 0.000 0.768 118 P CB 0.187 31.904 31.700 0.028 0.000 0.842 119 L N 3.221 124.371 121.223 -0.121 0.000 2.129 119 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 119 L C 1.457 178.215 176.870 -0.187 0.000 1.087 119 L CA 1.961 56.596 54.840 -0.341 0.000 0.757 119 L CB -1.015 40.854 42.059 -0.316 0.000 0.896 119 L HN 0.351 nan 8.230 nan 0.000 0.434 120 D N -0.575 119.768 120.400 -0.094 0.000 2.265 120 D HA -0.150 4.490 4.640 -0.000 0.000 0.208 120 D C 1.300 177.555 176.300 -0.076 0.000 0.977 120 D CA 0.845 54.805 54.000 -0.066 0.000 0.871 120 D CB -0.114 40.666 40.800 -0.034 0.000 0.925 120 D HN 0.437 nan 8.370 nan 0.000 0.485 121 N N 0.016 118.666 118.700 -0.083 0.000 2.336 121 N HA 0.019 4.759 4.740 -0.000 0.000 0.189 121 N C 0.175 175.613 175.510 -0.120 0.000 1.113 121 N CA 0.000 53.005 53.050 -0.075 0.000 0.858 121 N CB 0.484 38.949 38.487 -0.037 0.000 0.970 121 N HN 0.134 nan 8.380 nan 0.000 0.471 122 I N 1.382 121.831 120.570 -0.201 0.000 2.396 122 I HA 0.076 4.246 4.170 -0.000 0.000 0.289 122 I C 1.521 177.485 176.117 -0.255 0.000 1.056 122 I CA -0.051 61.058 61.300 -0.319 0.000 1.365 122 I CB 0.471 38.091 38.000 -0.633 0.000 1.407 122 I HN 0.008 nan 8.210 nan 0.000 0.509 123 I N 5.442 125.888 120.570 -0.207 0.000 2.628 123 I HA -0.075 4.095 4.170 -0.000 0.000 0.255 123 I C 0.506 176.536 176.117 -0.145 0.000 1.119 123 I CA 0.567 61.782 61.300 -0.140 0.000 1.448 123 I CB 0.097 38.046 38.000 -0.086 0.000 1.133 123 I HN 0.699 nan 8.210 nan 0.000 0.438 124 N N -0.871 117.723 118.700 -0.177 0.000 2.902 124 N HA 0.292 5.032 4.740 -0.000 0.000 0.268 124 N C -0.000 175.374 175.510 -0.226 0.000 1.450 124 N CA -0.796 52.155 53.050 -0.164 0.000 0.819 124 N CB 0.605 39.047 38.487 -0.075 0.000 1.540 124 N HN -0.174 nan 8.380 nan 0.000 0.545 125 L N -0.899 120.170 121.223 -0.256 0.000 2.275 125 L HA -0.015 4.325 4.340 -0.000 0.000 0.215 125 L C 1.163 177.970 176.870 -0.104 0.000 1.119 125 L CA 1.069 55.804 54.840 -0.175 0.000 0.790 125 L CB -0.573 41.289 42.059 -0.328 0.000 0.919 125 L HN 0.550 nan 8.230 nan 0.000 0.443 126 Y N -0.138 120.171 120.300 0.016 0.000 2.373 126 Y HA -0.188 4.362 4.550 -0.000 0.000 0.293 126 Y C 2.364 178.307 175.900 0.071 0.000 1.129 126 Y CA 0.389 58.519 58.100 0.050 0.000 1.226 126 Y CB -0.153 38.308 38.460 0.001 0.000 1.000 126 Y HN 0.200 nan 8.280 nan 0.000 0.549 127 D N 0.021 120.483 120.400 0.103 0.000 2.123 127 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 127 D C 1.810 178.195 176.300 0.142 0.000 0.992 127 D CA 1.381 55.411 54.000 0.049 0.000 0.833 127 D CB -0.436 40.269 40.800 -0.159 0.000 0.954 127 D HN 0.241 nan 8.370 nan 0.000 0.455 128 F N 1.253 121.299 119.950 0.160 0.000 2.134 128 F HA -0.073 4.454 4.527 -0.001 0.000 0.299 128 F C 2.476 178.362 175.800 0.144 0.000 1.097 128 F CA 0.776 58.892 58.000 0.193 0.000 1.264 128 F CB -0.619 38.497 39.000 0.194 0.000 1.001 128 F HN -0.006 nan 8.300 nan 0.000 0.479 129 E N -0.766 119.641 120.200 0.345 0.000 2.077 129 E HA -0.291 4.059 4.350 -0.000 0.000 0.193 129 E C 2.255 178.813 176.600 -0.070 0.000 0.989 129 E CA 1.338 57.752 56.400 0.023 0.000 0.800 129 E CB -0.428 29.414 29.700 0.237 0.000 0.746 129 E HN 0.543 nan 8.360 nan 0.000 0.452 130 Y N 0.417 120.704 120.300 -0.021 0.000 2.114 130 Y HA -0.243 4.307 4.550 -0.001 0.000 0.284 130 Y C 1.948 177.763 175.900 -0.143 0.000 1.143 130 Y CA 1.190 59.235 58.100 -0.092 0.000 1.135 130 Y CB -0.181 38.257 38.460 -0.036 0.000 0.980 130 Y HN 0.073 nan 8.280 nan 0.000 0.499 131 L N 0.814 121.903 121.223 -0.223 0.000 2.042 131 L HA -0.229 4.110 4.340 -0.000 0.000 0.210 131 L C 2.764 179.439 176.870 -0.326 0.000 1.076 131 L CA 2.010 56.682 54.840 -0.281 0.000 0.749 131 L CB -1.986 40.100 42.059 0.045 0.000 0.893 131 L HN 0.459 nan 8.230 nan 0.000 0.432 132 A N -0.775 121.916 122.820 -0.216 0.000 1.933 132 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 132 A C 2.514 179.791 177.584 -0.512 0.000 1.175 132 A CA 1.984 53.903 52.037 -0.197 0.000 0.628 132 A CB -0.809 18.175 19.000 -0.026 0.000 0.814 132 A HN 0.562 nan 8.150 nan 0.000 0.444 133 S N -1.159 113.974 115.700 -0.945 0.000 2.419 133 S HA -0.166 4.304 4.470 -0.000 0.000 0.233 133 S C 1.699 175.676 174.600 -1.038 0.000 1.016 133 S CA 1.424 58.624 58.200 -1.666 0.000 0.974 133 S CB -0.242 62.095 63.200 -1.437 0.000 0.786 133 S HN 0.541 nan 8.310 nan 0.000 0.492 134 Q N 0.866 120.225 119.800 -0.734 0.000 2.391 134 Q HA 0.133 4.473 4.340 -0.000 0.000 0.211 134 Q C 2.108 177.900 176.000 -0.347 0.000 0.908 134 Q CA 1.543 57.036 55.803 -0.516 0.000 0.920 134 Q CB -0.104 28.318 28.738 -0.526 0.000 1.056 134 Q HN 0.912 nan 8.270 nan 0.000 0.523 135 T N -3.320 111.047 114.554 -0.312 0.000 2.990 135 T HA 0.298 4.648 4.350 -0.000 0.000 0.249 135 T C 1.016 175.643 174.700 -0.122 0.000 1.039 135 T CA -0.189 61.797 62.100 -0.189 0.000 1.036 135 T CB 0.114 68.884 68.868 -0.164 0.000 0.994 135 T HN -0.058 nan 8.240 nan 0.000 0.489 136 L N 3.260 124.421 121.223 -0.104 0.000 2.453 136 L HA 0.377 4.717 4.340 -0.000 0.000 0.261 136 L C 1.173 178.038 176.870 -0.008 0.000 1.179 136 L CA -0.810 54.031 54.840 0.002 0.000 0.813 136 L CB 0.484 42.626 42.059 0.138 0.000 1.110 136 L HN 0.310 nan 8.230 nan 0.000 0.466 137 T N -1.892 112.668 114.554 0.009 0.000 2.900 137 T HA 0.080 4.430 4.350 -0.000 0.000 0.307 137 T C 0.930 175.662 174.700 0.052 0.000 1.065 137 T CA -0.541 61.562 62.100 0.005 0.000 1.105 137 T CB 0.779 69.641 68.868 -0.011 0.000 0.979 137 T HN 0.550 nan 8.240 nan 0.000 0.544 138 K N 0.524 120.952 120.400 0.047 0.000 2.113 138 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 138 K C 2.465 179.121 176.600 0.093 0.000 1.047 138 K CA 1.835 58.181 56.287 0.097 0.000 0.928 138 K CB -0.186 32.349 32.500 0.058 0.000 0.716 138 K HN 0.792 nan 8.250 nan 0.000 0.446 139 Q N 0.616 120.433 119.800 0.028 0.000 2.046 139 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 139 Q C 2.080 178.060 176.000 -0.033 0.000 0.975 139 Q CA 1.520 57.317 55.803 -0.010 0.000 0.836 139 Q CB -0.102 28.607 28.738 -0.049 0.000 0.896 139 Q HN 0.329 nan 8.270 nan 0.000 0.428 140 A N 0.964 123.742 122.820 -0.070 0.000 1.930 140 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 140 A C 1.859 179.338 177.584 -0.174 0.000 1.175 140 A CA 1.069 52.956 52.037 -0.250 0.000 0.627 140 A CB -1.373 17.484 19.000 -0.239 0.000 0.815 140 A HN 0.820 nan 8.150 nan 0.000 0.443 141 W N 0.748 121.976 121.300 -0.120 0.000 2.355 141 W HA -0.183 4.477 4.660 -0.000 0.000 0.309 141 W C 2.257 178.789 176.519 0.021 0.000 1.206 141 W CA 1.789 59.126 57.345 -0.015 0.000 1.284 141 W CB -0.208 29.238 29.460 -0.024 0.000 1.145 141 W HN 0.414 nan 8.180 nan 0.000 0.502 142 A N -0.155 122.625 122.820 -0.066 0.000 1.902 142 A HA -0.296 4.024 4.320 -0.000 0.000 0.217 142 A C 1.832 179.321 177.584 -0.159 0.000 1.181 142 A CA 1.757 53.695 52.037 -0.166 0.000 0.623 142 A CB -1.731 17.253 19.000 -0.028 0.000 0.818 142 A HN 0.584 nan 8.150 nan 0.000 0.443 143 Y N -1.102 119.085 120.300 -0.188 0.000 2.181 143 Y HA -0.271 4.279 4.550 -0.001 0.000 0.288 143 Y C 2.188 178.076 175.900 -0.020 0.000 1.146 143 Y CA 2.069 60.087 58.100 -0.137 0.000 1.164 143 Y CB -0.263 38.093 38.460 -0.173 0.000 0.982 143 Y HN 0.451 nan 8.280 nan 0.000 0.515 144 Y N -1.224 118.942 120.300 -0.223 0.000 2.243 144 Y HA -0.162 4.387 4.550 -0.000 0.000 0.293 144 Y C 2.750 178.432 175.900 -0.363 0.000 1.124 144 Y CA 0.456 58.389 58.100 -0.278 0.000 1.159 144 Y CB -0.234 38.245 38.460 0.031 0.000 1.008 144 Y HN 0.209 nan 8.280 nan 0.000 0.527 145 S N 0.027 115.504 115.700 -0.372 0.000 2.527 145 S HA -0.026 4.443 4.470 -0.000 0.000 0.222 145 S C 0.863 175.209 174.600 -0.424 0.000 0.985 145 S CA -0.027 57.858 58.200 -0.525 0.000 0.921 145 S CB -0.630 61.761 63.200 -1.347 0.000 0.772 145 S HN 0.258 nan 8.310 nan 0.000 0.529 146 S N 0.343 115.812 115.700 -0.384 0.000 2.603 146 S HA 0.729 5.199 4.470 -0.000 0.000 0.268 146 S C 0.356 174.751 174.600 -0.341 0.000 1.317 146 S CA -0.242 57.780 58.200 -0.297 0.000 1.012 146 S CB 1.076 64.147 63.200 -0.214 0.000 0.926 146 S HN 0.591 nan 8.310 nan 0.000 0.539 147 G N -0.408 108.239 108.800 -0.254 0.000 2.816 147 G HA2 0.707 4.667 3.960 -0.000 0.000 0.288 147 G HA3 0.707 4.667 3.960 -0.000 0.000 0.288 147 G C -0.683 174.152 174.900 -0.108 0.000 1.334 147 G CA -0.819 44.146 45.100 -0.226 0.000 0.978 147 G HN 1.143 nan 8.290 nan 0.000 0.493 148 A N 0.372 123.149 122.820 -0.071 0.000 2.401 148 A HA 0.524 4.844 4.320 -0.000 0.000 0.259 148 A C 1.180 178.756 177.584 -0.014 0.000 1.103 148 A CA 0.199 52.213 52.037 -0.039 0.000 0.789 148 A CB -0.228 18.756 19.000 -0.027 0.000 1.035 148 A HN 0.937 nan 8.150 nan 0.000 0.491 149 N N 1.228 119.930 118.700 0.003 0.000 1.414 149 N HA -0.227 4.512 4.740 -0.000 0.000 0.142 149 N C 0.171 175.697 175.510 0.027 0.000 0.587 149 N CA 1.940 55.006 53.050 0.027 0.000 1.068 149 N CB -0.892 37.626 38.487 0.052 0.000 1.317 149 N HN 0.809 nan 8.380 nan 0.000 0.463 150 D N 2.939 123.361 120.400 0.036 0.000 2.336 150 D HA 0.031 4.671 4.640 -0.000 0.000 0.229 150 D C -0.016 176.284 176.300 0.000 0.000 1.061 150 D CA 0.423 54.441 54.000 0.032 0.000 0.875 150 D CB -0.279 40.562 40.800 0.067 0.000 0.904 150 D HN 0.481 nan 8.370 nan 0.000 0.525 151 E N -0.631 119.561 120.200 -0.012 0.000 2.539 151 E HA -0.196 4.153 4.350 -0.000 0.000 0.253 151 E C 1.132 177.716 176.600 -0.027 0.000 1.145 151 E CA -0.210 56.197 56.400 0.012 0.000 0.738 151 E CB -1.507 28.236 29.700 0.072 0.000 1.308 151 E HN 0.173 nan 8.360 nan 0.000 0.409 152 V N -0.406 119.410 119.914 -0.164 0.000 2.283 152 V HA -0.237 3.883 4.120 -0.000 0.000 0.243 152 V C 2.395 178.344 176.094 -0.242 0.000 1.039 152 V CA 2.436 64.565 62.300 -0.286 0.000 1.016 152 V CB -0.408 30.990 31.823 -0.708 0.000 0.650 152 V HN 0.385 nan 8.190 nan 0.000 0.449 153 T N -0.952 113.455 114.554 -0.246 0.000 2.746 153 T HA -0.256 4.093 4.350 -0.000 0.000 0.267 153 T C 1.890 176.592 174.700 0.002 0.000 1.039 153 T CA 2.088 64.115 62.100 -0.122 0.000 1.142 153 T CB -0.385 68.435 68.868 -0.080 0.000 0.866 153 T HN 0.692 nan 8.240 nan 0.000 0.444 154 H N 1.595 120.624 119.070 -0.068 0.000 2.319 154 H HA -0.029 4.527 4.556 -0.001 0.000 0.297 154 H C 2.357 177.684 175.328 -0.002 0.000 1.097 154 H CA 1.826 57.858 56.048 -0.027 0.000 1.285 154 H CB -0.133 29.608 29.762 -0.035 0.000 1.368 154 H HN 0.237 nan 8.280 nan 0.000 0.495 155 R N -0.475 119.931 120.500 -0.156 0.000 2.073 155 R HA -0.082 4.258 4.340 -0.000 0.000 0.229 155 R C 2.335 178.586 176.300 -0.081 0.000 1.120 155 R CA 1.254 57.243 56.100 -0.185 0.000 0.967 155 R CB -0.115 30.116 30.300 -0.114 0.000 0.862 155 R HN 0.362 nan 8.270 nan 0.000 0.436 156 E N 1.164 121.321 120.200 -0.072 0.000 2.204 156 E HA -0.180 4.169 4.350 -0.000 0.000 0.195 156 E C 1.368 177.945 176.600 -0.039 0.000 0.990 156 E CA 1.327 57.691 56.400 -0.059 0.000 0.821 156 E CB -0.174 29.482 29.700 -0.074 0.000 0.750 156 E HN 0.169 nan 8.360 nan 0.000 0.477 157 N N -0.226 118.473 118.700 -0.002 0.000 2.094 157 N HA -0.205 4.534 4.740 -0.000 0.000 0.191 157 N C 1.651 177.232 175.510 0.118 0.000 1.023 157 N CA 1.652 54.732 53.050 0.049 0.000 0.857 157 N CB -0.562 37.986 38.487 0.102 0.000 1.013 157 N HN 0.432 nan 8.380 nan 0.000 0.426 158 H N 0.598 119.674 119.070 0.010 0.000 2.343 158 H HA 0.203 4.759 4.556 -0.000 0.000 0.303 158 H C 1.559 176.841 175.328 -0.077 0.000 1.068 158 H CA 1.501 57.567 56.048 0.029 0.000 1.359 158 H CB -0.257 29.457 29.762 -0.080 0.000 1.402 158 H HN 0.256 nan 8.280 nan 0.000 0.515 159 N N -0.061 118.500 118.700 -0.233 0.000 2.104 159 N HA -0.183 4.557 4.740 -0.000 0.000 0.190 159 N C 1.951 177.333 175.510 -0.212 0.000 1.024 159 N CA 0.763 53.631 53.050 -0.303 0.000 0.853 159 N CB -0.152 38.262 38.487 -0.123 0.000 1.008 159 N HN 0.441 nan 8.380 nan 0.000 0.424 160 A N 0.629 123.357 122.820 -0.155 0.000 1.978 160 A HA -0.177 4.142 4.320 -0.000 0.000 0.220 160 A C 1.607 179.086 177.584 -0.174 0.000 1.170 160 A CA 1.144 53.090 52.037 -0.152 0.000 0.636 160 A CB -0.840 18.049 19.000 -0.187 0.000 0.810 160 A HN 0.347 nan 8.150 nan 0.000 0.448 161 Y N -0.284 119.936 120.300 -0.134 0.000 2.256 161 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 161 Y C 2.244 178.149 175.900 0.008 0.000 1.155 161 Y CA 1.873 59.929 58.100 -0.074 0.000 1.203 161 Y CB -0.500 37.907 38.460 -0.089 0.000 0.980 161 Y HN 0.568 nan 8.280 nan 0.000 0.530 162 H N -1.036 117.978 119.070 -0.093 0.000 2.556 162 H HA 0.086 4.642 4.556 -0.001 0.000 0.268 162 H C 1.425 176.750 175.328 -0.005 0.000 0.996 162 H CA -0.045 55.934 56.048 -0.115 0.000 1.157 162 H CB 0.202 29.904 29.762 -0.100 0.000 1.355 162 H HN 0.275 nan 8.280 nan 0.000 0.597 163 R N 0.625 121.192 120.500 0.112 0.000 2.317 163 R HA 0.191 4.531 4.340 -0.000 0.000 0.208 163 R C -0.174 176.201 176.300 0.126 0.000 0.914 163 R CA 0.191 56.361 56.100 0.117 0.000 1.060 163 R CB 0.540 30.864 30.300 0.041 0.000 1.015 163 R HN 0.190 nan 8.270 nan 0.000 0.498 164 I N 0.748 121.357 120.570 0.064 0.000 2.436 164 I HA 0.295 4.465 4.170 -0.000 0.000 0.289 164 I C -0.606 175.446 176.117 -0.108 0.000 1.010 164 I CA -0.724 60.581 61.300 0.009 0.000 1.098 164 I CB 1.391 39.337 38.000 -0.090 0.000 1.266 164 I HN -0.221 nan 8.210 nan 0.000 0.434 165 F N 4.501 124.322 119.950 -0.215 0.000 2.572 165 F HA 0.595 5.122 4.527 -0.001 0.000 0.342 165 F C -0.196 175.463 175.800 -0.236 0.000 1.064 165 F CA -0.604 57.243 58.000 -0.255 0.000 1.008 165 F CB 1.232 40.175 39.000 -0.096 0.000 1.303 165 F HN 0.093 nan 8.300 nan 0.000 0.492 166 F N 0.270 120.320 119.950 0.167 0.000 2.432 166 F HA 0.495 5.021 4.527 -0.001 0.000 0.329 166 F C -0.013 175.850 175.800 0.105 0.000 1.076 166 F CA -1.077 56.982 58.000 0.097 0.000 1.018 166 F CB 1.297 40.324 39.000 0.044 0.000 1.201 166 F HN 0.122 nan 8.300 nan 0.000 0.489 167 K N 3.055 123.637 120.400 0.304 0.000 2.762 167 K HA 0.258 4.577 4.320 -0.000 0.000 0.180 167 K C -2.618 174.054 176.600 0.120 0.000 1.067 167 K CA -1.605 54.785 56.287 0.172 0.000 0.973 167 K CB 0.603 33.180 32.500 0.128 0.000 1.290 167 K HN 0.258 nan 8.250 nan 0.000 0.604 168 P HA 0.015 nan 4.420 nan 0.000 0.269 168 P C -0.881 176.429 177.300 0.018 0.000 1.215 168 P CA -0.152 62.958 63.100 0.016 0.000 0.780 168 P CB 0.953 32.642 31.700 -0.018 0.000 0.898 169 K N 2.097 122.496 120.400 -0.001 0.000 2.185 169 K HA 0.440 4.760 4.320 -0.000 0.000 0.269 169 K C 0.290 176.889 176.600 -0.002 0.000 0.987 169 K CA -0.780 55.509 56.287 0.005 0.000 0.865 169 K CB 0.712 33.215 32.500 0.004 0.000 1.090 169 K HN 0.383 nan 8.250 nan 0.000 0.450 170 I N -0.814 119.758 120.570 0.004 0.000 3.076 170 I HA 0.346 4.516 4.170 -0.000 0.000 0.313 170 I C 0.277 176.395 176.117 0.002 0.000 1.053 170 I CA -0.916 60.385 61.300 0.001 0.000 1.048 170 I CB 0.374 38.376 38.000 0.004 0.000 1.264 170 I HN 0.673 nan 8.210 nan 0.000 0.498 171 L N 0.177 121.400 121.223 0.000 0.000 3.717 171 L HA -0.135 4.205 4.340 -0.000 0.000 0.414 171 L C -0.775 176.096 176.870 0.001 0.000 1.228 171 L CA -0.020 54.820 54.840 0.001 0.000 0.918 171 L CB -1.693 40.368 42.059 0.003 0.000 1.865 171 L HN 0.535 nan 8.230 nan 0.000 0.922 172 V N -0.643 119.270 119.914 -0.002 0.000 2.513 172 V HA 0.294 4.414 4.120 -0.000 0.000 0.299 172 V C 0.387 176.479 176.094 -0.003 0.000 1.035 172 V CA -0.513 61.786 62.300 -0.002 0.000 0.889 172 V CB 2.013 33.834 31.823 -0.003 0.000 0.988 172 V HN 0.145 nan 8.190 nan 0.000 0.440 173 D N 3.711 124.111 120.400 -0.001 0.000 2.348 173 D HA 0.079 4.719 4.640 -0.000 0.000 0.259 173 D C 0.466 176.765 176.300 -0.002 0.000 1.296 173 D CA 0.099 54.098 54.000 -0.001 0.000 0.931 173 D CB 1.102 41.903 40.800 0.001 0.000 1.067 173 D HN 0.429 nan 8.370 nan 0.000 0.503 174 V N 2.418 122.330 119.914 -0.004 0.000 2.887 174 V HA 0.314 4.434 4.120 -0.000 0.000 0.370 174 V C 1.716 177.808 176.094 -0.003 0.000 1.322 174 V CA -0.595 61.702 62.300 -0.005 0.000 1.267 174 V CB 0.051 31.867 31.823 -0.012 0.000 1.344 174 V HN 0.401 nan 8.190 nan 0.000 0.573 175 R N 1.770 122.270 120.500 -0.001 0.000 2.073 175 R HA 0.006 4.346 4.340 -0.000 0.000 0.234 175 R C 1.208 177.509 176.300 0.002 0.000 1.134 175 R CA 1.443 57.543 56.100 0.000 0.000 0.952 175 R CB 0.157 30.458 30.300 0.001 0.000 0.850 175 R HN 0.609 nan 8.270 nan 0.000 0.433 176 K N 0.849 121.252 120.400 0.004 0.000 2.244 176 K HA 0.293 4.613 4.320 -0.000 0.000 0.260 176 K C -1.112 175.493 176.600 0.008 0.000 0.951 176 K CA -0.693 55.598 56.287 0.007 0.000 0.826 176 K CB 1.849 34.354 32.500 0.007 0.000 1.108 176 K HN 0.066 nan 8.250 nan 0.000 0.433 177 V N -0.341 119.580 119.914 0.011 0.000 3.130 177 V HA 0.655 4.775 4.120 -0.000 0.000 0.310 177 V C -1.558 174.549 176.094 0.022 0.000 1.158 177 V CA -0.845 61.463 62.300 0.014 0.000 1.029 177 V CB 1.964 33.792 31.823 0.009 0.000 1.057 177 V HN 0.935 nan 8.190 nan 0.000 0.436 178 D N 0.778 121.194 120.400 0.027 0.000 2.964 178 D HA 0.583 5.223 4.640 -0.000 0.000 0.234 178 D C 0.176 176.500 176.300 0.040 0.000 1.223 178 D CA -0.281 53.741 54.000 0.037 0.000 0.889 178 D CB 1.982 42.808 40.800 0.043 0.000 1.609 178 D HN 0.887 nan 8.370 nan 0.000 0.523 179 I N 1.020 121.615 120.570 0.041 0.000 3.974 179 I HA 0.339 4.508 4.170 -0.000 0.000 0.334 179 I C 0.096 176.223 176.117 0.017 0.000 1.437 179 I CA -0.510 60.814 61.300 0.041 0.000 1.113 179 I CB 0.283 38.317 38.000 0.058 0.000 1.063 179 I HN 0.214 nan 8.210 nan 0.000 0.400 180 S N 0.270 115.981 115.700 0.018 0.000 2.614 180 S HA 0.698 5.168 4.470 -0.000 0.000 0.265 180 S C 0.170 174.745 174.600 -0.041 0.000 1.303 180 S CA 0.041 58.213 58.200 -0.047 0.000 1.000 180 S CB 1.989 65.221 63.200 0.054 0.000 0.935 180 S HN 0.436 nan 8.310 nan 0.000 0.551 181 T N -0.507 113.953 114.554 -0.158 0.000 2.661 181 T HA 0.355 4.705 4.350 -0.000 0.000 0.305 181 T C -2.593 172.045 174.700 -0.103 0.000 1.535 181 T CA -0.507 61.561 62.100 -0.053 0.000 1.000 181 T CB 0.970 69.846 68.868 0.013 0.000 1.811 181 T HN 0.943 nan 8.240 nan 0.000 0.471 182 D N 1.146 121.560 120.400 0.024 0.000 2.481 182 D HA 0.568 5.208 4.640 -0.000 0.000 0.244 182 D C -1.033 175.347 176.300 0.134 0.000 1.057 182 D CA -0.645 53.396 54.000 0.069 0.000 0.848 182 D CB 1.823 42.685 40.800 0.103 0.000 1.388 182 D HN 0.564 nan 8.370 nan 0.000 0.475 183 M N 1.920 121.646 119.600 0.209 0.000 2.213 183 M HA 0.170 4.649 4.480 -0.000 0.000 0.286 183 M C -0.817 175.690 176.300 0.346 0.000 1.008 183 M CA -0.859 54.663 55.300 0.369 0.000 0.937 183 M CB 2.137 35.088 32.600 0.586 0.000 1.600 183 M HN 0.264 nan 8.290 nan 0.000 0.450 184 L N 3.161 124.547 121.223 0.271 0.000 3.678 184 L HA -0.223 4.117 4.340 -0.000 0.000 0.425 184 L C 1.051 178.005 176.870 0.139 0.000 1.240 184 L CA 1.893 56.824 54.840 0.151 0.000 0.876 184 L CB -2.269 39.832 42.059 0.071 0.000 1.766 184 L HN 1.203 nan 8.230 nan 0.000 0.917 185 G N -2.048 106.826 108.800 0.123 0.000 2.184 185 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.264 185 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.264 185 G C 0.524 175.495 174.900 0.119 0.000 0.975 185 G CA 0.518 45.679 45.100 0.102 0.000 0.642 185 G HN 0.710 nan 8.290 nan 0.000 0.536 186 S N -0.915 114.876 115.700 0.151 0.000 2.532 186 S HA 0.592 5.062 4.470 -0.000 0.000 0.301 186 S C -0.478 174.202 174.600 0.133 0.000 1.083 186 S CA -0.595 57.688 58.200 0.138 0.000 1.025 186 S CB 1.667 64.947 63.200 0.134 0.000 1.056 186 S HN 0.576 nan 8.310 nan 0.000 0.494 187 H N 1.209 120.307 119.070 0.046 0.000 2.646 187 H HA 0.593 5.148 4.556 -0.000 0.000 0.325 187 H C -0.911 174.423 175.328 0.010 0.000 1.075 187 H CA -0.048 56.019 56.048 0.032 0.000 1.421 187 H CB 0.411 30.183 29.762 0.016 0.000 1.461 187 H HN 0.257 nan 8.280 nan 0.000 0.525 188 V N 4.950 124.502 119.914 -0.602 0.000 2.680 188 V HA 0.098 4.218 4.120 -0.000 0.000 0.309 188 V C 0.418 176.223 176.094 -0.481 0.000 1.052 188 V CA -0.820 61.245 62.300 -0.391 0.000 0.908 188 V CB 2.079 33.777 31.823 -0.209 0.000 1.001 188 V HN 0.878 nan 8.190 nan 0.000 0.431 189 D N 1.298 121.539 120.400 -0.265 0.000 2.219 189 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 189 D C 0.630 176.823 176.300 -0.178 0.000 0.970 189 D CA 1.376 55.280 54.000 -0.161 0.000 0.851 189 D CB 0.377 41.119 40.800 -0.096 0.000 0.943 189 D HN 0.532 nan 8.370 nan 0.000 0.488 190 V N -2.869 116.879 119.914 -0.277 0.000 3.126 190 V HA 0.501 4.621 4.120 -0.000 0.000 0.314 190 V C -2.481 173.480 176.094 -0.223 0.000 1.138 190 V CA -1.688 60.428 62.300 -0.308 0.000 1.034 190 V CB 2.417 33.792 31.823 -0.746 0.000 1.075 190 V HN -0.282 nan 8.190 nan 0.000 0.442 191 P HA 0.268 nan 4.420 nan 0.000 0.263 191 P C -0.426 177.032 177.300 0.262 0.000 1.448 191 P CA 0.152 63.320 63.100 0.113 0.000 0.983 191 P CB -0.340 31.451 31.700 0.152 0.000 1.481 192 F N 0.100 120.148 119.950 0.165 0.000 2.654 192 F HA 0.798 5.325 4.527 -0.000 0.000 0.334 192 F C -0.833 175.086 175.800 0.199 0.000 1.078 192 F CA -1.800 56.289 58.000 0.149 0.000 0.986 192 F CB 0.801 39.838 39.000 0.062 0.000 1.362 192 F HN -0.143 nan 8.300 nan 0.000 0.498 193 Y N -2.018 118.508 120.300 0.376 0.000 2.689 193 Y HA 0.686 5.236 4.550 -0.000 0.000 0.333 193 Y C -2.071 173.876 175.900 0.079 0.000 1.208 193 Y CA -2.034 56.112 58.100 0.077 0.000 1.055 193 Y CB 0.757 39.206 38.460 -0.018 0.000 1.304 193 Y HN 0.535 nan 8.280 nan 0.000 0.455 194 V N 2.493 122.403 119.914 -0.007 0.000 2.408 194 V HA 0.339 4.459 4.120 -0.000 0.000 0.267 194 V C 0.410 176.544 176.094 0.066 0.000 1.047 194 V CA -0.175 62.017 62.300 -0.180 0.000 0.937 194 V CB 0.718 32.237 31.823 -0.506 0.000 0.999 194 V HN 0.835 nan 8.190 nan 0.000 0.472 195 S N 3.702 119.434 115.700 0.054 0.000 2.632 195 S HA 0.656 5.126 4.470 -0.000 0.000 0.267 195 S C 0.492 175.054 174.600 -0.065 0.000 1.276 195 S CA -0.138 58.098 58.200 0.060 0.000 0.998 195 S CB 1.013 64.220 63.200 0.012 0.000 0.953 195 S HN 1.080 nan 8.310 nan 0.000 0.547 196 A N 2.267 125.012 122.820 -0.125 0.000 2.488 196 A HA 0.510 4.830 4.320 -0.000 0.000 0.249 196 A C 0.326 177.833 177.584 -0.130 0.000 1.083 196 A CA 0.044 51.989 52.037 -0.153 0.000 0.768 196 A CB -0.366 18.504 19.000 -0.217 0.000 1.017 196 A HN 0.930 nan 8.150 nan 0.000 0.496 197 T N -0.129 114.369 114.554 -0.094 0.000 2.991 197 T HA 0.682 5.032 4.350 -0.000 0.000 0.303 197 T C -0.287 174.429 174.700 0.028 0.000 1.015 197 T CA 0.018 62.082 62.100 -0.060 0.000 1.007 197 T CB 1.194 69.977 68.868 -0.143 0.000 1.034 197 T HN 1.549 nan 8.240 nan 0.000 0.446 198 A N 4.252 127.155 122.820 0.138 0.000 2.351 198 A HA 0.670 4.990 4.320 -0.000 0.000 0.257 198 A C 1.211 178.950 177.584 0.259 0.000 1.087 198 A CA -0.786 51.366 52.037 0.192 0.000 0.798 198 A CB -0.511 18.644 19.000 0.258 0.000 1.033 198 A HN 1.694 nan 8.150 nan 0.000 0.488 199 L N 0.265 121.579 121.223 0.151 0.000 3.597 199 L HA -0.259 4.081 4.340 -0.000 0.000 0.440 199 L C 1.205 178.220 176.870 0.241 0.000 1.277 199 L CA -0.028 54.891 54.840 0.130 0.000 0.852 199 L CB -2.740 39.308 42.059 -0.018 0.000 1.708 199 L HN 0.816 nan 8.230 nan 0.000 0.885 200 C N -0.486 118.912 119.300 0.164 0.000 2.409 200 C HA -0.137 4.323 4.460 -0.000 0.000 0.284 200 C C 2.501 177.600 174.990 0.182 0.000 1.354 200 C CA 1.208 60.322 59.018 0.158 0.000 1.787 200 C CB -0.657 27.113 27.740 0.050 0.000 1.900 200 C HN 0.563 nan 8.230 nan 0.000 0.520 201 K N 0.513 120.984 120.400 0.119 0.000 2.442 201 K HA -0.003 4.317 4.320 -0.000 0.000 0.198 201 K C 1.643 178.293 176.600 0.083 0.000 1.042 201 K CA 0.681 57.017 56.287 0.082 0.000 0.958 201 K CB -0.131 32.392 32.500 0.037 0.000 0.766 201 K HN 0.565 nan 8.250 nan 0.000 0.474 202 L N -0.681 120.612 121.223 0.116 0.000 2.093 202 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 202 L C 2.289 179.197 176.870 0.065 0.000 1.085 202 L CA 1.424 56.277 54.840 0.021 0.000 0.755 202 L CB -0.299 41.682 42.059 -0.130 0.000 0.904 202 L HN 0.288 nan 8.230 nan 0.000 0.435 203 G N -1.760 107.185 108.800 0.241 0.000 2.656 203 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.211 203 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.211 203 G C 0.570 175.566 174.900 0.159 0.000 1.137 203 G CA -0.052 45.205 45.100 0.263 0.000 0.802 203 G HN 0.186 nan 8.290 nan 0.000 0.527 204 N N 0.306 119.088 118.700 0.138 0.000 2.841 204 N HA 0.307 5.047 4.740 -0.000 0.000 0.257 204 N C -2.100 173.446 175.510 0.059 0.000 1.396 204 N CA -1.774 51.324 53.050 0.080 0.000 0.823 204 N CB 2.024 40.553 38.487 0.071 0.000 1.162 204 N HN -0.148 nan 8.380 nan 0.000 0.503 205 P HA -0.113 nan 4.420 nan 0.000 0.216 205 P C 1.481 178.793 177.300 0.020 0.000 1.153 205 P CA 0.620 63.735 63.100 0.026 0.000 0.858 205 P CB 0.582 32.290 31.700 0.014 0.000 0.789 206 L N -0.804 120.431 121.223 0.019 0.000 2.072 206 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 206 L C 2.037 178.917 176.870 0.017 0.000 1.079 206 L CA 1.993 56.842 54.840 0.015 0.000 0.752 206 L CB -1.204 40.863 42.059 0.014 0.000 0.906 206 L HN -0.029 nan 8.230 nan 0.000 0.436 207 E N -1.780 118.433 120.200 0.021 0.000 2.421 207 E HA 0.233 4.583 4.350 -0.000 0.000 0.209 207 E C 1.483 178.095 176.600 0.021 0.000 0.871 207 E CA 0.693 57.104 56.400 0.018 0.000 1.064 207 E CB -0.002 29.708 29.700 0.017 0.000 1.075 207 E HN 0.249 nan 8.360 nan 0.000 0.513 208 G N 2.625 111.444 108.800 0.031 0.000 2.672 208 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.324 208 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.324 208 G C 0.904 175.816 174.900 0.019 0.000 1.286 208 G CA 1.164 46.286 45.100 0.037 0.000 1.004 208 G HN 0.288 nan 8.290 nan 0.000 0.548 209 E N 0.681 120.889 120.200 0.014 0.000 2.265 209 E HA 0.033 4.383 4.350 -0.000 0.000 0.196 209 E C 2.466 179.057 176.600 -0.015 0.000 0.996 209 E CA 1.414 57.810 56.400 -0.006 0.000 0.832 209 E CB -0.091 29.608 29.700 -0.001 0.000 0.756 209 E HN 0.590 nan 8.360 nan 0.000 0.491 210 K N 0.386 120.784 120.400 -0.003 0.000 2.057 210 K HA -0.148 4.171 4.320 -0.000 0.000 0.207 210 K C 1.439 178.030 176.600 -0.015 0.000 1.049 210 K CA 1.365 57.648 56.287 -0.008 0.000 0.931 210 K CB -0.055 32.445 32.500 0.001 0.000 0.714 210 K HN 0.060 nan 8.250 nan 0.000 0.440 211 D N 0.270 120.666 120.400 -0.008 0.000 2.218 211 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 211 D C 1.757 178.040 176.300 -0.028 0.000 0.976 211 D CA 0.610 54.605 54.000 -0.008 0.000 0.853 211 D CB 0.074 40.878 40.800 0.007 0.000 0.939 211 D HN -0.080 nan 8.370 nan 0.000 0.481 212 V N 0.893 120.781 119.914 -0.045 0.000 2.307 212 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 212 V C 2.513 178.545 176.094 -0.103 0.000 1.045 212 V CA 1.647 63.895 62.300 -0.085 0.000 1.024 212 V CB -0.779 30.981 31.823 -0.105 0.000 0.651 212 V HN 0.181 nan 8.190 nan 0.000 0.449 213 A N 0.113 122.883 122.820 -0.082 0.000 1.917 213 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 213 A C 2.371 179.910 177.584 -0.075 0.000 1.182 213 A CA 2.199 54.185 52.037 -0.086 0.000 0.633 213 A CB -0.510 18.454 19.000 -0.059 0.000 0.819 213 A HN 0.527 nan 8.150 nan 0.000 0.448 214 R N -1.159 119.310 120.500 -0.051 0.000 2.062 214 R HA -0.070 4.270 4.340 -0.000 0.000 0.231 214 R C 2.466 178.743 176.300 -0.039 0.000 1.136 214 R CA 1.185 57.263 56.100 -0.037 0.000 0.948 214 R CB -0.750 29.539 30.300 -0.019 0.000 0.845 214 R HN 0.524 nan 8.270 nan 0.000 0.430 215 G N 0.275 109.051 108.800 -0.040 0.000 2.450 215 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 215 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 215 G C 1.369 176.235 174.900 -0.056 0.000 1.130 215 G CA 0.927 46.008 45.100 -0.031 0.000 0.760 215 G HN 0.359 nan 8.290 nan 0.000 0.557 216 C N 0.066 119.304 119.300 -0.103 0.000 2.446 216 C HA 0.267 4.726 4.460 -0.000 0.000 0.279 216 C C 2.764 177.688 174.990 -0.110 0.000 1.366 216 C CA 0.794 59.729 59.018 -0.138 0.000 1.763 216 C CB -0.557 27.064 27.740 -0.198 0.000 1.929 216 C HN 0.517 nan 8.230 nan 0.000 0.509 217 G N -0.421 108.329 108.800 -0.083 0.000 3.104 217 G HA2 0.069 4.029 3.960 -0.000 0.000 0.237 217 G HA3 0.069 4.029 3.960 -0.000 0.000 0.237 217 G C 1.342 176.217 174.900 -0.042 0.000 1.035 217 G CA 0.310 45.369 45.100 -0.069 0.000 0.844 217 G HN 0.682 nan 8.290 nan 0.000 0.531 218 Q N 0.117 119.899 119.800 -0.031 0.000 2.378 218 Q HA 0.257 4.596 4.340 -0.000 0.000 0.205 218 Q C 1.222 177.218 176.000 -0.007 0.000 0.954 218 Q CA 0.802 56.596 55.803 -0.016 0.000 0.901 218 Q CB 0.176 28.910 28.738 -0.008 0.000 0.981 218 Q HN 0.228 nan 8.270 nan 0.000 0.483 219 G N 0.689 109.486 108.800 -0.006 0.000 2.671 219 G HA2 0.341 4.300 3.960 -0.000 0.000 0.275 219 G HA3 0.341 4.300 3.960 -0.000 0.000 0.275 219 G C 0.727 175.626 174.900 -0.001 0.000 1.368 219 G CA -0.073 45.029 45.100 0.004 0.000 1.044 219 G HN 0.251 nan 8.290 nan 0.000 0.543 220 V N -2.882 117.035 119.914 0.006 0.000 2.809 220 V HA 0.140 4.260 4.120 -0.000 0.000 0.256 220 V C 0.948 177.041 176.094 -0.002 0.000 1.080 220 V CA 1.300 63.602 62.300 0.003 0.000 1.102 220 V CB -0.904 30.925 31.823 0.010 0.000 0.705 220 V HN 0.355 nan 8.190 nan 0.000 0.475 221 T N 2.154 116.707 114.554 -0.001 0.000 2.743 221 T HA 0.512 4.862 4.350 -0.000 0.000 0.292 221 T C -0.373 174.296 174.700 -0.052 0.000 0.972 221 T CA -0.216 61.872 62.100 -0.020 0.000 0.967 221 T CB 1.285 70.158 68.868 0.009 0.000 0.926 221 T HN 0.260 nan 8.240 nan 0.000 0.459 222 K N 2.841 123.190 120.400 -0.084 0.000 2.253 222 K HA 0.542 4.862 4.320 -0.000 0.000 0.277 222 K C -0.723 175.762 176.600 -0.192 0.000 1.053 222 K CA -0.377 55.839 56.287 -0.118 0.000 0.892 222 K CB 1.003 33.444 32.500 -0.098 0.000 1.102 222 K HN 0.338 nan 8.250 nan 0.000 0.469 223 V N 5.869 125.652 119.914 -0.218 0.000 2.513 223 V HA 0.432 4.551 4.120 -0.000 0.000 0.299 223 V C -2.229 173.664 176.094 -0.335 0.000 1.035 223 V CA -2.421 59.699 62.300 -0.299 0.000 0.889 223 V CB 1.654 33.318 31.823 -0.264 0.000 0.988 223 V HN 0.630 nan 8.190 nan 0.000 0.440 224 P HA 0.206 nan 4.420 nan 0.000 0.271 224 P C -1.001 175.993 177.300 -0.510 0.000 1.216 224 P CA -0.165 62.547 63.100 -0.646 0.000 0.776 224 P CB 0.463 31.489 31.700 -1.125 0.000 0.881 225 Q N 2.728 122.232 119.800 -0.494 0.000 2.331 225 Q HA 0.518 4.857 4.340 -0.000 0.000 0.267 225 Q C -1.201 174.642 176.000 -0.261 0.000 1.006 225 Q CA -0.729 54.884 55.803 -0.317 0.000 0.818 225 Q CB 1.192 29.784 28.738 -0.244 0.000 1.276 225 Q HN 0.403 nan 8.270 nan 0.000 0.450 226 M N 5.492 124.995 119.600 -0.162 0.000 2.209 226 M HA 0.445 4.924 4.480 -0.000 0.000 0.355 226 M C -1.371 174.839 176.300 -0.149 0.000 1.171 226 M CA -0.531 54.684 55.300 -0.142 0.000 1.069 226 M CB 0.750 33.212 32.600 -0.231 0.000 1.622 226 M HN 0.645 nan 8.290 nan 0.000 0.459 227 I N 3.310 123.790 120.570 -0.149 0.000 2.339 227 I HA 0.230 4.400 4.170 -0.000 0.000 0.290 227 I C 0.211 176.111 176.117 -0.362 0.000 0.994 227 I CA -0.617 60.584 61.300 -0.165 0.000 1.191 227 I CB 1.766 39.761 38.000 -0.009 0.000 1.343 227 I HN 0.645 nan 8.210 nan 0.000 0.458 228 S N 3.644 119.202 115.700 -0.236 0.000 2.549 228 S HA 0.056 4.526 4.470 -0.000 0.000 0.283 228 S C 1.295 175.771 174.600 -0.206 0.000 1.320 228 S CA -0.223 57.841 58.200 -0.228 0.000 1.058 228 S CB 0.931 64.096 63.200 -0.058 0.000 0.882 228 S HN 0.717 nan 8.310 nan 0.000 0.498 229 T N 4.988 119.415 114.554 -0.211 0.000 2.803 229 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 229 T C 1.108 175.966 174.700 0.263 0.000 1.052 229 T CA 1.349 63.501 62.100 0.086 0.000 1.136 229 T CB -0.285 68.739 68.868 0.261 0.000 0.864 229 T HN 0.629 nan 8.240 nan 0.000 0.467 230 L N 0.919 122.280 121.223 0.229 0.000 2.783 230 L HA 0.419 4.759 4.340 -0.000 0.000 0.236 230 L C 0.940 177.868 176.870 0.096 0.000 1.225 230 L CA -0.797 54.144 54.840 0.168 0.000 1.026 230 L CB -0.462 41.702 42.059 0.175 0.000 1.314 230 L HN 0.093 nan 8.230 nan 0.000 0.489 231 A N 0.231 123.103 122.820 0.085 0.000 2.466 231 A HA 0.158 4.477 4.320 -0.000 0.000 0.238 231 A C 1.417 179.034 177.584 0.054 0.000 1.074 231 A CA 0.438 52.512 52.037 0.061 0.000 0.774 231 A CB 0.377 19.410 19.000 0.055 0.000 1.015 231 A HN 0.459 nan 8.150 nan 0.000 0.498 232 S N -0.416 115.310 115.700 0.043 0.000 2.562 232 S HA 0.083 4.553 4.470 -0.000 0.000 0.221 232 S C 0.510 175.127 174.600 0.029 0.000 0.975 232 S CA 0.202 58.418 58.200 0.026 0.000 0.918 232 S CB -0.687 62.526 63.200 0.022 0.000 0.772 232 S HN 0.619 nan 8.310 nan 0.000 0.531 233 C N 2.380 121.704 119.300 0.040 0.000 2.470 233 C HA 0.817 5.276 4.460 -0.000 0.000 0.341 233 C C 0.901 175.925 174.990 0.056 0.000 1.190 233 C CA -0.836 58.206 59.018 0.038 0.000 1.904 233 C CB 1.600 29.359 27.740 0.032 0.000 2.354 233 C HN 0.644 nan 8.230 nan 0.000 0.509 234 S N 2.675 118.406 115.700 0.051 0.000 2.603 234 S HA 0.265 4.735 4.470 -0.000 0.000 0.268 234 S C -1.447 173.198 174.600 0.074 0.000 1.317 234 S CA -0.554 57.685 58.200 0.065 0.000 1.012 234 S CB 0.809 64.035 63.200 0.044 0.000 0.926 234 S HN 0.661 nan 8.310 nan 0.000 0.539 235 P HA -0.155 nan 4.420 nan 0.000 0.216 235 P C 1.203 178.527 177.300 0.040 0.000 1.150 235 P CA 1.275 64.434 63.100 0.099 0.000 0.837 235 P CB -0.065 31.668 31.700 0.054 0.000 0.786 236 E N 1.698 121.908 120.200 0.017 0.000 2.038 236 E HA -0.222 4.127 4.350 -0.000 0.000 0.195 236 E C 1.991 178.597 176.600 0.010 0.000 1.000 236 E CA 1.485 57.888 56.400 0.005 0.000 0.803 236 E CB -1.214 28.486 29.700 -0.000 0.000 0.750 236 E HN 0.557 nan 8.360 nan 0.000 0.448 237 E N 1.204 121.414 120.200 0.015 0.000 2.110 237 E HA -0.139 4.210 4.350 -0.000 0.000 0.193 237 E C 2.419 179.025 176.600 0.011 0.000 0.988 237 E CA 1.030 57.437 56.400 0.012 0.000 0.804 237 E CB -0.543 29.165 29.700 0.014 0.000 0.745 237 E HN 0.252 nan 8.360 nan 0.000 0.458 238 I N 1.288 121.869 120.570 0.019 0.000 2.163 238 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 238 I C 2.570 178.688 176.117 0.002 0.000 1.081 238 I CA 1.195 62.503 61.300 0.013 0.000 1.353 238 I CB -0.199 37.819 38.000 0.030 0.000 1.054 238 I HN 0.095 nan 8.210 nan 0.000 0.407 239 I N 0.222 120.797 120.570 0.008 0.000 2.567 239 I HA -0.246 3.924 4.170 -0.000 0.000 0.257 239 I C 2.526 178.636 176.117 -0.011 0.000 1.184 239 I CA 1.128 62.426 61.300 -0.004 0.000 1.451 239 I CB -0.336 37.665 38.000 0.001 0.000 1.089 239 I HN 0.327 nan 8.210 nan 0.000 0.441 240 E N 1.192 121.388 120.200 -0.007 0.000 2.170 240 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 240 E C 2.205 178.798 176.600 -0.011 0.000 0.981 240 E CA 0.900 57.294 56.400 -0.008 0.000 0.830 240 E CB 0.177 29.875 29.700 -0.004 0.000 0.775 240 E HN 0.448 nan 8.360 nan 0.000 0.470 241 A N 1.039 123.853 122.820 -0.011 0.000 2.168 241 A HA 0.160 4.480 4.320 -0.000 0.000 0.215 241 A C 1.297 178.867 177.584 -0.022 0.000 1.152 241 A CA 0.711 52.740 52.037 -0.013 0.000 0.716 241 A CB -0.293 18.700 19.000 -0.011 0.000 0.794 241 A HN 0.212 nan 8.150 nan 0.000 0.465 242 A N 0.845 123.648 122.820 -0.029 0.000 2.505 242 A HA 0.432 4.751 4.320 -0.000 0.000 0.271 242 A C -0.997 176.567 177.584 -0.034 0.000 1.112 242 A CA -0.776 51.236 52.037 -0.041 0.000 0.781 242 A CB -0.085 18.884 19.000 -0.051 0.000 1.059 242 A HN 0.242 nan 8.150 nan 0.000 0.508 243 P HA -0.039 nan 4.420 nan 0.000 0.225 243 P C 0.495 177.779 177.300 -0.026 0.000 1.148 243 P CA 1.312 64.397 63.100 -0.025 0.000 0.779 243 P CB 0.333 32.019 31.700 -0.023 0.000 0.780 244 S N -1.383 114.296 115.700 -0.035 0.000 2.570 244 S HA 0.270 4.740 4.470 -0.000 0.000 0.286 244 S C 0.342 174.921 174.600 -0.035 0.000 1.099 244 S CA -0.721 57.459 58.200 -0.033 0.000 0.913 244 S CB 1.073 64.251 63.200 -0.037 0.000 1.085 244 S HN -0.209 nan 8.310 nan 0.000 0.480 245 D N 1.712 122.096 120.400 -0.027 0.000 2.348 245 D HA 0.118 4.758 4.640 -0.000 0.000 0.211 245 D C 0.910 177.193 176.300 -0.028 0.000 0.998 245 D CA 0.565 54.550 54.000 -0.025 0.000 0.873 245 D CB 0.339 41.129 40.800 -0.017 0.000 0.925 245 D HN 0.539 nan 8.370 nan 0.000 0.524 246 K N 0.805 121.187 120.400 -0.030 0.000 2.426 246 K HA 0.015 4.335 4.320 -0.000 0.000 0.193 246 K C 1.015 177.582 176.600 -0.055 0.000 1.028 246 K CA -0.041 56.229 56.287 -0.028 0.000 1.047 246 K CB 0.331 32.822 32.500 -0.016 0.000 0.821 246 K HN 0.279 nan 8.250 nan 0.000 0.513 247 Q N 1.463 121.218 119.800 -0.075 0.000 2.288 247 Q HA 0.239 4.579 4.340 -0.000 0.000 0.254 247 Q C -0.486 175.423 176.000 -0.153 0.000 0.932 247 Q CA -0.218 55.511 55.803 -0.122 0.000 0.902 247 Q CB 0.912 29.575 28.738 -0.125 0.000 1.203 247 Q HN 0.043 nan 8.270 nan 0.000 0.415 248 I N 2.357 122.784 120.570 -0.238 0.000 2.472 248 I HA 0.164 4.333 4.170 -0.000 0.000 0.290 248 I C -0.013 175.853 176.117 -0.418 0.000 1.016 248 I CA -0.516 60.592 61.300 -0.320 0.000 1.348 248 I CB 1.375 39.098 38.000 -0.462 0.000 1.417 248 I HN 0.687 nan 8.210 nan 0.000 0.521 249 Q N 5.498 125.107 119.800 -0.318 0.000 2.323 249 Q HA 0.407 4.746 4.340 -0.000 0.000 0.271 249 Q C -1.694 174.274 176.000 -0.054 0.000 1.048 249 Q CA -0.719 54.942 55.803 -0.237 0.000 0.792 249 Q CB 2.824 31.507 28.738 -0.091 0.000 1.280 249 Q HN 0.442 nan 8.270 nan 0.000 0.441 250 W N 1.464 122.726 121.300 -0.064 0.000 2.706 250 W HA 0.392 5.051 4.660 -0.000 0.000 0.346 250 W C -0.746 175.781 176.519 0.014 0.000 1.071 250 W CA -1.111 56.226 57.345 -0.014 0.000 1.206 250 W CB 0.887 30.270 29.460 -0.129 0.000 1.413 250 W HN 0.589 nan 8.180 nan 0.000 0.542 251 Y N 2.464 122.897 120.300 0.221 0.000 2.335 251 Y HA 0.173 4.723 4.550 -0.000 0.000 0.338 251 Y C 0.397 176.346 175.900 0.081 0.000 0.977 251 Y CA -0.494 57.666 58.100 0.098 0.000 1.114 251 Y CB 1.182 39.685 38.460 0.072 0.000 1.182 251 Y HN 0.205 nan 8.280 nan 0.000 0.463 252 Q N 6.724 126.221 119.800 -0.505 0.000 2.296 252 Q HA 0.259 4.599 4.340 -0.000 0.000 0.257 252 Q C -2.030 173.674 176.000 -0.493 0.000 0.942 252 Q CA -0.633 54.944 55.803 -0.378 0.000 0.939 252 Q CB 1.398 29.892 28.738 -0.406 0.000 1.198 252 Q HN 0.810 nan 8.270 nan 0.000 0.429 253 L N 5.455 126.552 121.223 -0.211 0.000 2.322 253 L HA 0.425 4.764 4.340 -0.000 0.000 0.281 253 L C -1.769 175.016 176.870 -0.141 0.000 1.014 253 L CA -0.471 54.328 54.840 -0.069 0.000 0.815 253 L CB 1.141 43.259 42.059 0.098 0.000 1.247 253 L HN 0.485 nan 8.230 nan 0.000 0.421 254 Y N 4.160 124.484 120.300 0.041 0.000 2.331 254 Y HA 0.449 4.999 4.550 -0.001 0.000 0.338 254 Y C -0.096 175.772 175.900 -0.053 0.000 0.976 254 Y CA -0.772 57.338 58.100 0.017 0.000 1.137 254 Y CB 1.712 40.215 38.460 0.072 0.000 1.172 254 Y HN 0.294 nan 8.280 nan 0.000 0.478 255 V N 5.250 125.235 119.914 0.118 0.000 2.508 255 V HA 0.029 4.149 4.120 -0.000 0.000 0.281 255 V C 0.510 176.573 176.094 -0.052 0.000 1.041 255 V CA -0.596 61.712 62.300 0.013 0.000 1.016 255 V CB 0.354 32.180 31.823 0.005 0.000 0.984 255 V HN 0.707 nan 8.190 nan 0.000 0.478 256 N N 3.194 121.815 118.700 -0.133 0.000 2.467 256 N HA 0.113 4.853 4.740 -0.000 0.000 0.262 256 N C 1.187 176.634 175.510 -0.104 0.000 1.234 256 N CA 0.051 52.979 53.050 -0.202 0.000 0.952 256 N CB 1.673 39.994 38.487 -0.276 0.000 1.158 256 N HN 0.603 nan 8.380 nan 0.000 0.463 257 S N 0.287 115.936 115.700 -0.084 0.000 2.402 257 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 257 S C 0.281 174.857 174.600 -0.039 0.000 1.021 257 S CA 0.720 58.893 58.200 -0.044 0.000 0.974 257 S CB -0.109 63.076 63.200 -0.025 0.000 0.800 257 S HN 0.623 nan 8.310 nan 0.000 0.484 258 D N 1.234 121.604 120.400 -0.050 0.000 2.494 258 D HA 0.160 4.800 4.640 -0.000 0.000 0.217 258 D C 0.984 177.256 176.300 -0.046 0.000 1.153 258 D CA -0.331 53.646 54.000 -0.037 0.000 0.954 258 D CB 0.219 41.001 40.800 -0.030 0.000 1.034 258 D HN -0.145 nan 8.370 nan 0.000 0.518 259 R N 2.639 123.118 120.500 -0.035 0.000 2.139 259 R HA -0.181 4.158 4.340 -0.000 0.000 0.243 259 R C 1.931 178.213 176.300 -0.029 0.000 1.145 259 R CA 0.823 56.904 56.100 -0.033 0.000 0.976 259 R CB -0.593 29.694 30.300 -0.022 0.000 0.866 259 R HN 0.520 nan 8.270 nan 0.000 0.449 260 K N 1.243 121.629 120.400 -0.024 0.000 2.152 260 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 260 K C 1.989 178.575 176.600 -0.023 0.000 1.048 260 K CA 1.430 57.706 56.287 -0.019 0.000 0.933 260 K CB -0.250 32.242 32.500 -0.013 0.000 0.721 260 K HN 0.207 nan 8.250 nan 0.000 0.447 261 I N 1.498 122.049 120.570 -0.033 0.000 2.286 261 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 261 I C 2.145 178.237 176.117 -0.041 0.000 1.115 261 I CA 1.456 62.734 61.300 -0.037 0.000 1.392 261 I CB -0.385 37.578 38.000 -0.061 0.000 1.065 261 I HN 0.238 nan 8.210 nan 0.000 0.418 262 T N -0.033 114.491 114.554 -0.049 0.000 2.737 262 T HA -0.152 4.197 4.350 -0.000 0.000 0.265 262 T C 1.521 176.209 174.700 -0.021 0.000 1.038 262 T CA 1.320 63.400 62.100 -0.034 0.000 1.144 262 T CB -0.294 68.554 68.868 -0.034 0.000 0.866 262 T HN 0.297 nan 8.240 nan 0.000 0.434 263 D N 1.572 121.959 120.400 -0.022 0.000 2.126 263 D HA -0.136 4.503 4.640 -0.000 0.000 0.190 263 D C 1.890 178.177 176.300 -0.022 0.000 1.001 263 D CA 1.316 55.305 54.000 -0.018 0.000 0.841 263 D CB -0.413 40.378 40.800 -0.016 0.000 0.949 263 D HN 0.315 nan 8.370 nan 0.000 0.446 264 D N -0.027 120.359 120.400 -0.022 0.000 2.144 264 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 264 D C 2.117 178.394 176.300 -0.038 0.000 0.978 264 D CA 0.173 54.159 54.000 -0.025 0.000 0.833 264 D CB -0.354 40.436 40.800 -0.017 0.000 0.961 264 D HN 0.103 nan 8.370 nan 0.000 0.470 265 L N 0.568 121.769 121.223 -0.036 0.000 2.017 265 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 265 L C 2.218 179.025 176.870 -0.104 0.000 1.073 265 L CA 1.342 56.145 54.840 -0.060 0.000 0.745 265 L CB -0.638 41.416 42.059 -0.008 0.000 0.894 265 L HN -0.107 nan 8.230 nan 0.000 0.432 266 V N -0.281 119.600 119.914 -0.056 0.000 2.332 266 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 266 V C 2.596 178.650 176.094 -0.067 0.000 1.055 266 V CA 2.107 64.375 62.300 -0.053 0.000 1.038 266 V CB -0.651 31.162 31.823 -0.017 0.000 0.651 266 V HN 0.462 nan 8.190 nan 0.000 0.450 267 K N -0.018 120.349 120.400 -0.054 0.000 2.097 267 K HA -0.184 4.136 4.320 -0.000 0.000 0.205 267 K C 2.104 178.665 176.600 -0.064 0.000 1.050 267 K CA 1.608 57.866 56.287 -0.047 0.000 0.938 267 K CB -0.278 32.202 32.500 -0.033 0.000 0.718 267 K HN 0.414 nan 8.250 nan 0.000 0.442 268 N N 0.784 119.434 118.700 -0.085 0.000 2.080 268 N HA -0.152 4.588 4.740 -0.000 0.000 0.189 268 N C 1.727 177.155 175.510 -0.137 0.000 1.036 268 N CA 1.717 54.708 53.050 -0.097 0.000 0.846 268 N CB -0.132 38.295 38.487 -0.099 0.000 1.015 268 N HN 0.075 nan 8.380 nan 0.000 0.423 269 V N -1.164 118.611 119.914 -0.231 0.000 2.407 269 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 269 V C 2.123 178.140 176.094 -0.127 0.000 1.055 269 V CA 2.096 64.227 62.300 -0.280 0.000 1.049 269 V CB -0.956 30.497 31.823 -0.616 0.000 0.662 269 V HN 0.348 nan 8.190 nan 0.000 0.455 270 E N 0.766 120.912 120.200 -0.089 0.000 2.077 270 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 270 E C 2.344 178.926 176.600 -0.030 0.000 0.989 270 E CA 1.590 57.968 56.400 -0.037 0.000 0.800 270 E CB -0.196 29.488 29.700 -0.028 0.000 0.746 270 E HN 0.706 nan 8.360 nan 0.000 0.452 271 K N 0.350 120.726 120.400 -0.040 0.000 2.148 271 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 271 K C 2.006 178.588 176.600 -0.028 0.000 1.050 271 K CA 0.750 57.019 56.287 -0.030 0.000 0.942 271 K CB -0.004 32.477 32.500 -0.032 0.000 0.724 271 K HN 0.218 nan 8.250 nan 0.000 0.446 272 L N -0.479 120.720 121.223 -0.041 0.000 2.551 272 L HA -0.000 4.339 4.340 -0.000 0.000 0.228 272 L C 1.267 178.127 176.870 -0.017 0.000 1.153 272 L CA 0.850 55.670 54.840 -0.033 0.000 0.851 272 L CB 0.023 42.053 42.059 -0.049 0.000 0.959 272 L HN 0.625 nan 8.230 nan 0.000 0.451 273 G N -0.305 108.490 108.800 -0.009 0.000 2.184 273 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.206 273 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.206 273 G C 0.421 175.339 174.900 0.030 0.000 0.995 273 G CA 0.009 45.113 45.100 0.007 0.000 0.651 273 G HN 0.180 nan 8.290 nan 0.000 0.511 274 V N -1.421 118.520 119.914 0.045 0.000 3.209 274 V HA 0.467 4.587 4.120 -0.000 0.000 0.305 274 V C 1.272 177.450 176.094 0.141 0.000 1.127 274 V CA 0.779 63.145 62.300 0.110 0.000 1.235 274 V CB 0.975 32.895 31.823 0.162 0.000 0.987 274 V HN 0.099 nan 8.190 nan 0.000 0.499 275 K N 1.990 122.537 120.400 0.245 0.000 2.358 275 K HA 0.618 4.938 4.320 -0.000 0.000 0.200 275 K C 0.225 176.979 176.600 0.257 0.000 1.030 275 K CA 0.896 57.336 56.287 0.254 0.000 1.097 275 K CB 0.899 33.571 32.500 0.286 0.000 0.862 275 K HN 1.119 nan 8.250 nan 0.000 0.534 276 A N 0.545 123.526 122.820 0.269 0.000 2.567 276 A HA 0.578 4.898 4.320 -0.000 0.000 0.291 276 A C -1.745 175.897 177.584 0.097 0.000 1.048 276 A CA -0.739 51.322 52.037 0.040 0.000 0.661 276 A CB 0.796 19.622 19.000 -0.289 0.000 1.288 276 A HN 0.070 nan 8.150 nan 0.000 0.424 277 L N 0.938 122.136 121.223 -0.042 0.000 2.325 277 L HA 0.564 4.904 4.340 -0.000 0.000 0.281 277 L C -1.500 175.303 176.870 -0.112 0.000 1.004 277 L CA -0.256 54.605 54.840 0.036 0.000 0.823 277 L CB 1.348 43.416 42.059 0.014 0.000 1.236 277 L HN 0.646 nan 8.230 nan 0.000 0.415 278 F N 2.998 122.840 119.950 -0.179 0.000 2.332 278 F HA 0.323 4.850 4.527 -0.000 0.000 0.368 278 F C 0.225 175.916 175.800 -0.182 0.000 1.110 278 F CA -0.632 57.230 58.000 -0.229 0.000 1.087 278 F CB 1.563 40.387 39.000 -0.293 0.000 1.235 278 F HN 0.027 nan 8.300 nan 0.000 0.470 279 V N 3.327 123.217 119.914 -0.041 0.000 2.408 279 V HA 0.185 4.305 4.120 -0.000 0.000 0.267 279 V C 0.316 176.380 176.094 -0.050 0.000 1.047 279 V CA -0.503 61.766 62.300 -0.053 0.000 0.937 279 V CB 0.856 32.645 31.823 -0.057 0.000 0.999 279 V HN 0.678 nan 8.190 nan 0.000 0.472 280 T N 4.856 119.358 114.554 -0.087 0.000 2.779 280 T HA 0.233 4.583 4.350 -0.000 0.000 0.296 280 T C 0.817 175.569 174.700 0.087 0.000 0.938 280 T CA -0.111 61.976 62.100 -0.020 0.000 1.119 280 T CB 1.065 69.846 68.868 -0.144 0.000 0.891 280 T HN 0.740 nan 8.240 nan 0.000 0.526 281 V N 0.063 120.016 119.914 0.065 0.000 3.276 281 V HA 0.263 4.383 4.120 -0.000 0.000 0.319 281 V C 0.817 176.945 176.094 0.056 0.000 1.427 281 V CA -0.278 62.038 62.300 0.026 0.000 1.102 281 V CB -0.064 31.706 31.823 -0.089 0.000 1.020 281 V HN 0.753 nan 8.190 nan 0.000 0.456 282 D N 1.049 121.528 120.400 0.132 0.000 2.368 282 D HA 0.424 5.063 4.640 -0.000 0.000 0.218 282 D C 0.894 177.238 176.300 0.073 0.000 1.112 282 D CA 0.644 54.713 54.000 0.114 0.000 0.834 282 D CB 0.702 41.599 40.800 0.162 0.000 0.953 282 D HN 0.529 nan 8.370 nan 0.000 0.505 283 A N 1.342 124.216 122.820 0.090 0.000 2.795 283 A HA 0.337 4.657 4.320 -0.000 0.000 0.282 283 A C -1.472 176.097 177.584 -0.025 0.000 0.964 283 A CA -0.682 51.351 52.037 -0.007 0.000 1.045 283 A CB 0.485 19.470 19.000 -0.024 0.000 1.174 283 A HN 0.035 nan 8.150 nan 0.000 0.493 284 P HA -0.055 nan 4.420 nan 0.000 0.222 284 P C 0.623 177.900 177.300 -0.038 0.000 1.147 284 P CA 1.268 64.355 63.100 -0.022 0.000 0.790 284 P CB 0.341 32.032 31.700 -0.015 0.000 0.780 285 S N -0.762 114.912 115.700 -0.043 0.000 2.548 285 S HA 0.399 4.869 4.470 -0.000 0.000 0.286 285 S C -0.884 173.677 174.600 -0.066 0.000 1.098 285 S CA -0.901 57.272 58.200 -0.044 0.000 0.930 285 S CB 0.814 63.999 63.200 -0.025 0.000 1.070 285 S HN -0.144 nan 8.310 nan 0.000 0.480 286 L N 3.937 125.121 121.223 -0.066 0.000 2.367 286 L HA 0.400 4.740 4.340 -0.000 0.000 0.275 286 L C 1.214 178.044 176.870 -0.067 0.000 1.129 286 L CA 0.251 55.043 54.840 -0.080 0.000 0.839 286 L CB 0.245 42.266 42.059 -0.063 0.000 1.133 286 L HN 1.005 nan 8.230 nan 0.000 0.453 287 G N 3.673 112.418 108.800 -0.092 0.000 2.554 287 G HA2 0.038 3.998 3.960 -0.000 0.000 0.238 287 G HA3 0.038 3.998 3.960 -0.000 0.000 0.238 287 G C -0.153 174.720 174.900 -0.046 0.000 1.259 287 G CA -0.318 44.741 45.100 -0.068 0.000 0.843 287 G HN 0.749 nan 8.290 nan 0.000 0.582 288 Q N 0.794 120.579 119.800 -0.025 0.000 2.377 288 Q HA 0.260 4.599 4.340 -0.000 0.000 0.249 288 Q C -0.072 175.916 176.000 -0.019 0.000 1.005 288 Q CA -0.377 55.419 55.803 -0.013 0.000 0.912 288 Q CB 0.349 29.093 28.738 0.009 0.000 1.223 288 Q HN 0.466 nan 8.270 nan 0.000 0.459 289 R N 3.805 124.286 120.500 -0.030 0.000 2.369 289 R HA 0.111 4.450 4.340 -0.000 0.000 0.310 289 R C 0.264 176.546 176.300 -0.029 0.000 1.141 289 R CA -0.184 55.889 56.100 -0.045 0.000 1.116 289 R CB 0.653 30.910 30.300 -0.071 0.000 1.135 289 R HN 0.748 nan 8.270 nan 0.000 0.529 290 E N 1.712 121.907 120.200 -0.008 0.000 2.209 290 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 290 E C 0.954 177.561 176.600 0.012 0.000 0.993 290 E CA 1.220 57.631 56.400 0.018 0.000 0.819 290 E CB 0.171 29.896 29.700 0.041 0.000 0.745 290 E HN 0.379 nan 8.360 nan 0.000 0.477 291 K N 0.781 121.175 120.400 -0.010 0.000 2.097 291 K HA -0.161 4.158 4.320 -0.000 0.000 0.206 291 K C 1.660 178.250 176.600 -0.017 0.000 1.049 291 K CA 1.602 57.884 56.287 -0.008 0.000 0.933 291 K CB 0.006 32.481 32.500 -0.043 0.000 0.717 291 K HN 0.022 nan 8.250 nan 0.000 0.442 292 D N 0.476 120.854 120.400 -0.036 0.000 2.078 292 D HA -0.133 4.507 4.640 -0.000 0.000 0.193 292 D C 1.840 178.082 176.300 -0.097 0.000 0.990 292 D CA 1.396 55.370 54.000 -0.044 0.000 0.827 292 D CB -0.031 40.755 40.800 -0.025 0.000 0.975 292 D HN 0.097 nan 8.370 nan 0.000 0.451 293 M N 0.225 119.752 119.600 -0.122 0.000 2.106 293 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 293 M C 2.176 178.326 176.300 -0.249 0.000 1.068 293 M CA 1.385 56.522 55.300 -0.271 0.000 1.100 293 M CB -0.294 32.222 32.600 -0.140 0.000 1.351 293 M HN -0.067 nan 8.290 nan 0.000 0.404 294 K N 0.810 121.210 120.400 0.000 0.000 2.057 294 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 294 K C 2.007 178.644 176.600 0.061 0.000 1.049 294 K CA 1.077 57.440 56.287 0.125 0.000 0.931 294 K CB -0.158 32.409 32.500 0.112 0.000 0.714 294 K HN 0.317 nan 8.250 nan 0.000 0.440 295 L N 1.289 122.509 121.223 -0.005 0.000 2.012 295 L HA -0.222 4.117 4.340 -0.000 0.000 0.210 295 L C 1.933 178.777 176.870 -0.043 0.000 1.073 295 L CA 1.876 56.711 54.840 -0.008 0.000 0.748 295 L CB -0.336 41.715 42.059 -0.013 0.000 0.891 295 L HN 0.247 nan 8.230 nan 0.000 0.431 296 K N -1.088 119.225 120.400 -0.145 0.000 2.148 296 K HA -0.154 4.165 4.320 -0.000 0.000 0.204 296 K C 1.899 178.415 176.600 -0.141 0.000 1.050 296 K CA 1.109 57.280 56.287 -0.194 0.000 0.942 296 K CB -0.137 32.171 32.500 -0.320 0.000 0.724 296 K HN 0.149 nan 8.250 nan 0.000 0.446 297 F N 1.259 121.211 119.950 0.004 0.000 2.206 297 F HA -0.115 4.412 4.527 -0.001 0.000 0.298 297 F C 2.428 178.231 175.800 0.004 0.000 1.090 297 F CA 1.040 59.042 58.000 0.003 0.000 1.323 297 F CB -0.796 38.207 39.000 0.005 0.000 1.028 297 F HN -0.029 nan 8.300 nan 0.000 0.492 298 S N -0.557 115.257 115.700 0.190 0.000 2.660 298 S HA -0.041 4.429 4.470 -0.000 0.000 0.228 298 S C 1.048 175.690 174.600 0.070 0.000 0.966 298 S CA 0.558 58.824 58.200 0.110 0.000 0.940 298 S CB -0.594 62.656 63.200 0.083 0.000 0.773 298 S HN 0.336 nan 8.310 nan 0.000 0.535 299 N N 0.750 119.489 118.700 0.065 0.000 2.184 299 N HA 0.156 4.895 4.740 -0.000 0.000 0.206 299 N C -0.140 175.395 175.510 0.041 0.000 1.151 299 N CA 0.500 53.571 53.050 0.035 0.000 0.878 299 N CB 0.607 39.099 38.487 0.009 0.000 1.014 299 N HN 0.348 nan 8.380 nan 0.000 0.512 310 T N 0.319 114.876 114.554 0.005 0.000 5.101 310 T HA 0.187 4.537 4.350 -0.000 0.000 0.314 310 T C -0.719 173.983 174.700 0.004 0.000 0.900 310 T CA -0.377 61.726 62.100 0.004 0.000 0.704 310 T CB -0.072 68.798 68.868 0.003 0.000 0.734 310 T HN 0.021 nan 8.240 nan 0.000 0.331 311 N N 1.009 119.711 118.700 0.004 0.000 5.024 311 N HA 0.174 4.914 4.740 -0.000 0.000 0.160 311 N C 0.765 176.278 175.510 0.005 0.000 1.071 311 N CA 0.008 53.060 53.050 0.004 0.000 1.071 311 N CB 1.703 40.192 38.487 0.004 0.000 1.562 311 N HN 0.194 nan 8.380 nan 0.000 0.985 312 V N 1.502 121.419 119.914 0.005 0.000 2.188 312 V HA -0.061 4.059 4.120 -0.000 0.000 0.155 312 V C 1.188 177.285 176.094 0.005 0.000 0.838 312 V CA 0.981 63.284 62.300 0.005 0.000 1.237 312 V CB -0.864 30.962 31.823 0.005 0.000 0.748 312 V HN 0.857 nan 8.190 nan 0.000 0.446 313 E N 0.638 120.841 120.200 0.005 0.000 2.803 313 E HA -0.247 4.103 4.350 -0.000 0.000 0.261 313 E C 0.618 177.221 176.600 0.005 0.000 1.221 313 E CA 1.283 57.686 56.400 0.005 0.000 0.720 313 E CB -1.534 28.169 29.700 0.005 0.000 1.337 313 E HN 1.227 nan 8.360 nan 0.000 0.439 314 E N -0.966 119.237 120.200 0.005 0.000 2.541 314 E HA 0.053 4.403 4.350 -0.000 0.000 0.175 314 E C -0.047 176.555 176.600 0.005 0.000 1.017 314 E CA 0.588 56.991 56.400 0.005 0.000 1.152 314 E CB -1.030 28.673 29.700 0.005 0.000 0.907 314 E HN 0.167 nan 8.360 nan 0.000 0.394 315 S N 0.785 116.488 115.700 0.006 0.000 2.474 315 S HA 0.457 4.926 4.470 -0.000 0.000 0.224 315 S C -0.488 174.118 174.600 0.009 0.000 1.209 315 S CA 0.512 58.715 58.200 0.006 0.000 1.212 315 S CB 0.330 63.534 63.200 0.006 0.000 1.137 315 S HN 0.772 nan 8.310 nan 0.000 0.446 316 Q N 0.933 120.738 119.800 0.009 0.000 2.378 316 Q HA 0.460 4.799 4.340 -0.000 0.000 0.262 316 Q C 0.250 176.257 176.000 0.012 0.000 0.978 316 Q CA 0.455 56.265 55.803 0.012 0.000 0.918 316 Q CB 0.992 29.736 28.738 0.010 0.000 1.415 316 Q HN 0.681 nan 8.270 nan 0.000 0.409 317 G N 3.156 111.966 108.800 0.017 0.000 2.583 317 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.292 317 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.292 317 G C 0.844 175.753 174.900 0.015 0.000 1.203 317 G CA 1.377 46.487 45.100 0.017 0.000 0.987 317 G HN 1.489 nan 8.290 nan 0.000 0.554 318 A N -1.015 121.813 122.820 0.012 0.000 1.940 318 A HA 0.109 4.429 4.320 -0.000 0.000 0.219 318 A C 2.733 180.319 177.584 0.005 0.000 1.176 318 A CA 3.119 55.162 52.037 0.009 0.000 0.631 318 A CB -0.834 18.171 19.000 0.008 0.000 0.814 318 A HN 1.457 nan 8.150 nan 0.000 0.446 319 S N -0.222 115.481 115.700 0.005 0.000 2.440 319 S HA -0.205 4.265 4.470 -0.000 0.000 0.238 319 S C 1.931 176.531 174.600 -0.000 0.000 1.010 319 S CA 1.438 59.639 58.200 0.002 0.000 0.972 319 S CB -0.440 62.763 63.200 0.004 0.000 0.774 319 S HN 0.845 nan 8.310 nan 0.000 0.501 320 R N 1.373 121.875 120.500 0.002 0.000 2.241 320 R HA 0.105 4.445 4.340 -0.000 0.000 0.224 320 R C 1.746 178.041 176.300 -0.009 0.000 1.101 320 R CA 1.245 57.345 56.100 -0.000 0.000 0.995 320 R CB -0.372 29.932 30.300 0.007 0.000 0.870 320 R HN 0.304 nan 8.270 nan 0.000 0.463 321 A N 1.175 123.989 122.820 -0.010 0.000 2.275 321 A HA 0.300 4.620 4.320 -0.000 0.000 0.212 321 A C 0.736 178.304 177.584 -0.026 0.000 1.201 321 A CA -0.225 51.800 52.037 -0.020 0.000 0.843 321 A CB 0.147 19.137 19.000 -0.017 0.000 0.873 321 A HN 0.175 nan 8.150 nan 0.000 0.492 322 L N -0.391 120.821 121.223 -0.018 0.000 2.375 322 L HA 0.582 4.921 4.340 -0.000 0.000 0.268 322 L C 0.258 177.119 176.870 -0.014 0.000 1.058 322 L CA -0.463 54.366 54.840 -0.018 0.000 0.803 322 L CB 1.766 43.819 42.059 -0.010 0.000 1.212 322 L HN 0.158 nan 8.230 nan 0.000 0.451 323 S N 0.045 115.740 115.700 -0.009 0.000 2.536 323 S HA 0.292 4.762 4.470 -0.000 0.000 0.271 323 S C 0.310 174.933 174.600 0.038 0.000 1.134 323 S CA -0.705 57.506 58.200 0.017 0.000 0.897 323 S CB 1.660 64.873 63.200 0.021 0.000 1.094 323 S HN 0.525 nan 8.310 nan 0.000 0.473 324 K N 2.320 122.756 120.400 0.060 0.000 2.209 324 K HA -0.004 4.316 4.320 -0.000 0.000 0.204 324 K C 1.394 178.028 176.600 0.056 0.000 1.048 324 K CA 1.077 57.394 56.287 0.050 0.000 0.940 324 K CB -0.473 32.060 32.500 0.056 0.000 0.729 324 K HN 0.701 nan 8.250 nan 0.000 0.451 325 F N 1.084 121.010 119.950 -0.040 0.000 2.134 325 F HA -0.059 4.468 4.527 -0.000 0.000 0.299 325 F C 0.955 176.723 175.800 -0.053 0.000 1.097 325 F CA 1.067 59.045 58.000 -0.037 0.000 1.264 325 F CB 0.209 39.175 39.000 -0.056 0.000 1.001 325 F HN -0.174 nan 8.300 nan 0.000 0.479 326 I N 1.018 121.592 120.570 0.005 0.000 2.347 326 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 326 I C -0.579 175.511 176.117 -0.045 0.000 1.058 326 I CA -0.782 60.469 61.300 -0.083 0.000 1.202 326 I CB 0.337 38.199 38.000 -0.230 0.000 1.386 326 I HN -0.141 nan 8.210 nan 0.000 0.475 327 D N 9.678 130.056 120.400 -0.036 0.000 2.389 327 D HA 0.021 4.661 4.640 -0.000 0.000 0.263 327 D C -1.239 175.049 176.300 -0.021 0.000 1.255 327 D CA -1.602 52.382 54.000 -0.027 0.000 0.914 327 D CB 1.187 41.969 40.800 -0.030 0.000 1.116 327 D HN 0.320 nan 8.370 nan 0.000 0.502 328 P HA -0.040 nan 4.420 nan 0.000 0.245 328 P C 0.331 177.619 177.300 -0.020 0.000 1.212 328 P CA 0.294 63.382 63.100 -0.019 0.000 0.774 328 P CB 0.179 31.869 31.700 -0.016 0.000 0.999 329 S N -1.378 114.310 115.700 -0.020 0.000 2.575 329 S HA 0.180 4.650 4.470 -0.000 0.000 0.237 329 S C 0.490 175.073 174.600 -0.030 0.000 0.975 329 S CA -0.657 57.531 58.200 -0.019 0.000 0.960 329 S CB -0.781 62.412 63.200 -0.011 0.000 0.822 329 S HN -0.043 nan 8.310 nan 0.000 0.472 330 L N 4.171 125.368 121.223 -0.043 0.000 2.499 330 L HA 0.408 4.748 4.340 -0.000 0.000 0.273 330 L C 0.341 177.146 176.870 -0.107 0.000 1.195 330 L CA 1.085 55.886 54.840 -0.065 0.000 0.882 330 L CB 0.391 42.410 42.059 -0.067 0.000 1.133 330 L HN 0.546 nan 8.230 nan 0.000 0.483 331 T N -0.265 114.228 114.554 -0.102 0.000 2.864 331 T HA 0.309 4.658 4.350 -0.000 0.000 0.289 331 T C 0.804 175.426 174.700 -0.130 0.000 1.082 331 T CA -0.538 61.487 62.100 -0.125 0.000 1.009 331 T CB 0.252 69.119 68.868 -0.002 0.000 1.234 331 T HN 0.621 nan 8.240 nan 0.000 0.526 332 W N 0.915 122.220 121.300 0.008 0.000 2.318 332 W HA -0.037 4.623 4.660 -0.000 0.000 0.313 332 W C 2.554 179.074 176.519 0.000 0.000 1.221 332 W CA 0.945 58.292 57.345 0.003 0.000 1.266 332 W CB -0.158 29.304 29.460 0.003 0.000 1.150 332 W HN 0.587 nan 8.180 nan 0.000 0.496 333 K N 0.170 120.702 120.400 0.219 0.000 2.044 333 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 333 K C 1.384 178.030 176.600 0.076 0.000 1.049 333 K CA 1.879 58.240 56.287 0.125 0.000 0.927 333 K CB -0.957 31.596 32.500 0.088 0.000 0.713 333 K HN 0.269 nan 8.250 nan 0.000 0.443 334 D N 0.817 121.243 120.400 0.043 0.000 2.149 334 D HA -0.154 4.486 4.640 -0.000 0.000 0.198 334 D C 1.926 178.236 176.300 0.016 0.000 0.990 334 D CA 0.860 54.868 54.000 0.014 0.000 0.839 334 D CB -0.013 40.778 40.800 -0.015 0.000 0.948 334 D HN 0.096 nan 8.370 nan 0.000 0.460 335 I N 1.649 122.236 120.570 0.027 0.000 2.252 335 I HA -0.169 4.000 4.170 -0.000 0.000 0.245 335 I C 2.309 178.459 176.117 0.055 0.000 1.102 335 I CA 0.917 62.237 61.300 0.032 0.000 1.385 335 I CB -1.109 36.923 38.000 0.053 0.000 1.064 335 I HN 0.061 nan 8.210 nan 0.000 0.414 336 E N 0.470 120.722 120.200 0.085 0.000 2.097 336 E HA -0.243 4.106 4.350 -0.000 0.000 0.196 336 E C 2.036 178.658 176.600 0.037 0.000 1.000 336 E CA 1.098 57.538 56.400 0.066 0.000 0.804 336 E CB -0.026 29.718 29.700 0.073 0.000 0.740 336 E HN 0.437 nan 8.360 nan 0.000 0.454 337 E N 0.803 121.022 120.200 0.032 0.000 2.031 337 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 337 E C 2.178 178.784 176.600 0.010 0.000 0.994 337 E CA 0.519 56.929 56.400 0.018 0.000 0.800 337 E CB -0.431 29.278 29.700 0.015 0.000 0.752 337 E HN 0.138 nan 8.360 nan 0.000 0.447 338 L N 1.859 123.087 121.223 0.008 0.000 2.081 338 L HA -0.205 4.134 4.340 -0.000 0.000 0.212 338 L C 2.003 178.872 176.870 -0.001 0.000 1.080 338 L CA 1.820 56.660 54.840 0.000 0.000 0.754 338 L CB -0.328 41.728 42.059 -0.005 0.000 0.893 338 L HN -0.006 nan 8.230 nan 0.000 0.433 339 K N -0.584 119.818 120.400 0.004 0.000 2.103 339 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 339 K C 1.970 178.569 176.600 -0.001 0.000 1.048 339 K CA 1.706 57.993 56.287 -0.000 0.000 0.930 339 K CB -0.066 32.438 32.500 0.007 0.000 0.716 339 K HN 0.396 nan 8.250 nan 0.000 0.444 340 K N 0.375 120.776 120.400 0.002 0.000 2.366 340 K HA -0.044 4.276 4.320 -0.000 0.000 0.198 340 K C 1.234 177.833 176.600 -0.001 0.000 1.044 340 K CA 0.772 57.059 56.287 0.001 0.000 0.973 340 K CB 0.235 32.737 32.500 0.004 0.000 0.767 340 K HN 0.042 nan 8.250 nan 0.000 0.475 341 K N 0.175 120.573 120.400 -0.003 0.000 2.372 341 K HA 0.093 4.413 4.320 -0.000 0.000 0.200 341 K C 0.093 176.689 176.600 -0.007 0.000 1.022 341 K CA 0.165 56.450 56.287 -0.005 0.000 1.125 341 K CB 1.042 33.539 32.500 -0.005 0.000 0.855 341 K HN -0.099 nan 8.250 nan 0.000 0.524 342 T N -0.100 114.450 114.554 -0.007 0.000 2.840 342 T HA 0.170 4.520 4.350 -0.000 0.000 0.317 342 T C -0.529 174.166 174.700 -0.009 0.000 1.401 342 T CA -0.735 61.360 62.100 -0.008 0.000 1.028 342 T CB 1.251 70.114 68.868 -0.009 0.000 1.317 342 T HN -0.096 nan 8.240 nan 0.000 0.495 343 K N 2.112 122.508 120.400 -0.007 0.000 2.348 343 K HA 0.314 4.633 4.320 -0.000 0.000 0.194 343 K C 0.992 177.587 176.600 -0.007 0.000 1.052 343 K CA 0.043 56.327 56.287 -0.005 0.000 1.004 343 K CB -0.332 32.167 32.500 -0.001 0.000 0.873 343 K HN 0.504 nan 8.250 nan 0.000 0.523 344 L N 3.619 124.839 121.223 -0.006 0.000 2.514 344 L HA 0.039 4.378 4.340 -0.000 0.000 0.280 344 L C -2.037 174.810 176.870 -0.038 0.000 1.223 344 L CA -1.490 53.345 54.840 -0.007 0.000 0.864 344 L CB -0.222 41.840 42.059 0.004 0.000 1.118 344 L HN -0.122 nan 8.230 nan 0.000 0.494 345 P HA 0.159 nan 4.420 nan 0.000 0.268 345 P C -0.733 176.458 177.300 -0.181 0.000 1.205 345 P CA 0.134 63.170 63.100 -0.106 0.000 0.771 345 P CB 0.568 32.199 31.700 -0.115 0.000 0.858 346 I N 2.364 122.825 120.570 -0.181 0.000 2.378 346 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 346 I C -0.484 175.449 176.117 -0.308 0.000 0.992 346 I CA -0.839 60.330 61.300 -0.219 0.000 1.154 346 I CB 1.705 39.636 38.000 -0.116 0.000 1.315 346 I HN -0.037 nan 8.210 nan 0.000 0.448 347 V N 7.233 126.847 119.914 -0.500 0.000 2.540 347 V HA 0.425 4.544 4.120 -0.000 0.000 0.302 347 V C 0.038 175.939 176.094 -0.322 0.000 1.035 347 V CA -0.592 61.381 62.300 -0.546 0.000 0.873 347 V CB 2.126 33.205 31.823 -1.240 0.000 0.992 347 V HN 0.478 nan 8.190 nan 0.000 0.428 348 I N 4.535 125.021 120.570 -0.141 0.000 2.301 348 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 348 I C 0.367 176.483 176.117 -0.002 0.000 1.046 348 I CA -0.095 61.169 61.300 -0.061 0.000 1.282 348 I CB 0.696 38.690 38.000 -0.010 0.000 1.409 348 I HN 0.553 nan 8.210 nan 0.000 0.484 349 K N 5.715 126.128 120.400 0.021 0.000 2.253 349 K HA 0.507 4.826 4.320 -0.000 0.000 0.277 349 K C 0.518 177.164 176.600 0.077 0.000 1.053 349 K CA -0.084 56.255 56.287 0.088 0.000 0.892 349 K CB 0.875 33.445 32.500 0.117 0.000 1.102 349 K HN 0.872 nan 8.250 nan 0.000 0.469 350 G N 2.359 111.218 108.800 0.099 0.000 2.147 350 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.128 350 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.128 350 G C -0.399 174.557 174.900 0.092 0.000 1.026 350 G CA -0.380 44.783 45.100 0.105 0.000 0.693 350 G HN 0.478 nan 8.290 nan 0.000 0.499 351 V N 0.495 120.468 119.914 0.099 0.000 2.614 351 V HA 0.412 4.532 4.120 -0.000 0.000 0.291 351 V C 1.031 177.185 176.094 0.101 0.000 1.049 351 V CA 0.671 63.035 62.300 0.107 0.000 1.038 351 V CB 1.496 33.395 31.823 0.126 0.000 0.980 351 V HN 0.491 nan 8.190 nan 0.000 0.481 352 Q N 3.705 123.562 119.800 0.096 0.000 2.093 352 Q HA 0.309 4.649 4.340 -0.000 0.000 0.217 352 Q C 0.053 176.099 176.000 0.077 0.000 0.785 352 Q CA -0.252 55.601 55.803 0.084 0.000 1.038 352 Q CB 0.899 29.686 28.738 0.081 0.000 1.190 352 Q HN 0.863 nan 8.270 nan 0.000 0.468 353 R N -2.249 118.301 120.500 0.083 0.000 2.629 353 R HA 0.431 4.771 4.340 -0.000 0.000 0.266 353 R C -0.202 176.139 176.300 0.069 0.000 1.051 353 R CA -0.614 55.528 56.100 0.070 0.000 0.895 353 R CB 0.416 30.759 30.300 0.071 0.000 1.246 353 R HN -0.254 nan 8.270 nan 0.000 0.459 354 T N 0.990 115.573 114.554 0.049 0.000 2.759 354 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 354 T C 0.964 175.686 174.700 0.035 0.000 1.042 354 T CA 2.096 64.219 62.100 0.038 0.000 1.140 354 T CB -0.176 68.706 68.868 0.023 0.000 0.864 354 T HN 0.625 nan 8.240 nan 0.000 0.455 355 E N 1.375 121.597 120.200 0.036 0.000 2.097 355 E HA -0.132 4.217 4.350 -0.000 0.000 0.196 355 E C 1.949 178.567 176.600 0.029 0.000 1.000 355 E CA 1.203 57.616 56.400 0.021 0.000 0.804 355 E CB -0.285 29.433 29.700 0.029 0.000 0.740 355 E HN 0.410 nan 8.360 nan 0.000 0.454 356 D N -0.695 119.768 120.400 0.105 0.000 2.317 356 D HA -0.043 4.597 4.640 -0.000 0.000 0.211 356 D C 1.696 178.101 176.300 0.174 0.000 0.966 356 D CA 0.332 54.459 54.000 0.212 0.000 0.876 356 D CB 0.168 41.172 40.800 0.341 0.000 0.927 356 D HN 0.052 nan 8.370 nan 0.000 0.519 357 V N 1.192 121.164 119.914 0.097 0.000 2.407 357 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 357 V C 2.385 178.486 176.094 0.012 0.000 1.041 357 V CA 0.726 63.069 62.300 0.073 0.000 1.040 357 V CB -0.075 31.779 31.823 0.051 0.000 0.671 357 V HN 0.155 nan 8.190 nan 0.000 0.455 358 I N 0.414 120.970 120.570 -0.023 0.000 2.208 358 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 358 I C 2.398 178.429 176.117 -0.144 0.000 1.097 358 I CA 1.756 63.015 61.300 -0.068 0.000 1.363 358 I CB -1.201 36.758 38.000 -0.068 0.000 1.051 358 I HN 0.370 nan 8.210 nan 0.000 0.413 359 K N 0.735 120.985 120.400 -0.250 0.000 2.097 359 K HA -0.101 4.218 4.320 -0.000 0.000 0.206 359 K C 2.236 178.559 176.600 -0.462 0.000 1.049 359 K CA 1.417 57.368 56.287 -0.559 0.000 0.933 359 K CB -0.179 31.614 32.500 -1.178 0.000 0.717 359 K HN 0.300 nan 8.250 nan 0.000 0.442 360 A N 1.683 124.409 122.820 -0.157 0.000 1.877 360 A HA -0.161 4.158 4.320 -0.000 0.000 0.216 360 A C 2.405 179.986 177.584 -0.005 0.000 1.186 360 A CA 1.951 54.033 52.037 0.075 0.000 0.620 360 A CB -0.778 18.325 19.000 0.173 0.000 0.822 360 A HN 0.334 nan 8.150 nan 0.000 0.443 361 A N -0.215 122.584 122.820 -0.036 0.000 1.883 361 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 361 A C 1.901 179.451 177.584 -0.057 0.000 1.186 361 A CA 1.790 53.804 52.037 -0.038 0.000 0.624 361 A CB -0.657 18.319 19.000 -0.039 0.000 0.822 361 A HN 0.645 nan 8.150 nan 0.000 0.444 362 E N -0.329 119.811 120.200 -0.100 0.000 2.097 362 E HA -0.201 4.148 4.350 -0.000 0.000 0.196 362 E C 1.672 178.222 176.600 -0.083 0.000 1.000 362 E CA 1.577 57.912 56.400 -0.107 0.000 0.804 362 E CB -0.418 29.183 29.700 -0.165 0.000 0.740 362 E HN 0.924 nan 8.360 nan 0.000 0.454 363 I N -2.907 117.617 120.570 -0.077 0.000 3.749 363 I HA 0.321 4.491 4.170 -0.000 0.000 0.314 363 I C 1.025 177.147 176.117 0.008 0.000 1.267 363 I CA 0.274 61.565 61.300 -0.015 0.000 1.169 363 I CB -0.058 37.974 38.000 0.054 0.000 1.009 363 I HN 0.034 nan 8.210 nan 0.000 0.444 364 G N 2.272 111.067 108.800 -0.007 0.000 2.305 364 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.287 364 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.287 364 G C 0.281 175.181 174.900 -0.000 0.000 1.036 364 G CA 0.438 45.535 45.100 -0.005 0.000 0.887 364 G HN 0.750 nan 8.290 nan 0.000 0.505 365 V N -3.188 116.733 119.914 0.012 0.000 3.385 365 V HA 0.729 4.848 4.120 -0.000 0.000 0.301 365 V C 1.492 177.568 176.094 -0.031 0.000 1.082 365 V CA 0.764 63.060 62.300 -0.007 0.000 1.085 365 V CB 1.119 32.947 31.823 0.008 0.000 1.152 365 V HN 0.270 nan 8.190 nan 0.000 0.465 366 S N 0.665 116.324 115.700 -0.069 0.000 2.436 366 S HA 0.408 4.878 4.470 -0.000 0.000 0.228 366 S C 0.720 175.286 174.600 -0.057 0.000 1.014 366 S CA 0.880 59.037 58.200 -0.072 0.000 0.950 366 S CB -0.130 63.004 63.200 -0.110 0.000 0.784 366 S HN 1.568 nan 8.310 nan 0.000 0.504 367 G N 0.140 108.898 108.800 -0.071 0.000 2.430 367 G HA2 0.489 4.449 3.960 -0.000 0.000 0.300 367 G HA3 0.489 4.449 3.960 -0.000 0.000 0.300 367 G C -1.507 173.389 174.900 -0.007 0.000 1.330 367 G CA -0.152 44.942 45.100 -0.011 0.000 0.813 367 G HN 0.577 nan 8.290 nan 0.000 0.487 368 V N -3.043 116.918 119.914 0.079 0.000 3.130 368 V HA 0.915 5.034 4.120 -0.000 0.000 0.310 368 V C -0.872 175.350 176.094 0.213 0.000 1.158 368 V CA -1.130 61.228 62.300 0.098 0.000 1.029 368 V CB 1.697 33.584 31.823 0.107 0.000 1.057 368 V HN 1.008 nan 8.190 nan 0.000 0.436 369 V N 2.967 123.002 119.914 0.202 0.000 2.376 369 V HA 0.407 4.526 4.120 -0.000 0.000 0.287 369 V C -0.013 176.198 176.094 0.196 0.000 1.015 369 V CA -0.434 62.035 62.300 0.281 0.000 0.834 369 V CB 1.246 33.247 31.823 0.296 0.000 1.001 369 V HN 0.794 nan 8.190 nan 0.000 0.428 370 L N 4.493 125.826 121.223 0.184 0.000 2.456 370 L HA 0.437 4.777 4.340 -0.000 0.000 0.277 370 L C 0.463 177.417 176.870 0.140 0.000 1.124 370 L CA 0.806 55.728 54.840 0.136 0.000 0.880 370 L CB 0.661 42.787 42.059 0.112 0.000 1.192 370 L HN 0.774 nan 8.230 nan 0.000 0.463 371 S N 2.484 118.258 115.700 0.124 0.000 2.547 371 S HA 0.452 4.921 4.470 -0.000 0.000 0.270 371 S C -0.569 174.099 174.600 0.113 0.000 1.150 371 S CA -0.875 57.395 58.200 0.117 0.000 0.850 371 S CB 1.478 64.748 63.200 0.116 0.000 1.118 371 S HN 0.698 nan 8.310 nan 0.000 0.461 372 N N 1.121 119.890 118.700 0.115 0.000 2.433 372 N HA 0.245 4.984 4.740 -0.000 0.000 0.270 372 N C -0.234 175.388 175.510 0.186 0.000 1.354 372 N CA -0.188 52.938 53.050 0.127 0.000 0.889 372 N CB -0.458 38.085 38.487 0.093 0.000 1.285 372 N HN 0.852 nan 8.380 nan 0.000 0.503 373 H N 0.432 119.531 119.070 0.049 0.000 2.839 373 H HA -0.113 4.442 4.556 -0.001 0.000 0.298 373 H C 1.107 176.437 175.328 0.004 0.000 1.224 373 H CA 0.882 56.949 56.048 0.031 0.000 1.144 373 H CB -1.316 28.468 29.762 0.036 0.000 1.372 373 H HN 0.739 nan 8.280 nan 0.000 0.408 374 G N -0.712 108.142 108.800 0.091 0.000 2.221 374 G HA2 -0.024 3.935 3.960 -0.000 0.000 0.265 374 G HA3 -0.024 3.935 3.960 -0.000 0.000 0.265 374 G C 1.394 176.342 174.900 0.080 0.000 1.041 374 G CA 1.137 46.281 45.100 0.075 0.000 0.807 374 G HN 1.800 nan 8.290 nan 0.000 0.502 375 G N -1.244 107.615 108.800 0.098 0.000 2.203 375 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.263 375 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.263 375 G C 0.888 175.787 174.900 -0.002 0.000 1.012 375 G CA 1.219 46.359 45.100 0.067 0.000 0.749 375 G HN 1.023 nan 8.290 nan 0.000 0.512 376 R N -1.131 119.374 120.500 0.009 0.000 2.334 376 R HA 0.215 4.555 4.340 -0.000 0.000 0.216 376 R C 1.963 178.217 176.300 -0.078 0.000 0.905 376 R CA 0.420 56.490 56.100 -0.048 0.000 1.064 376 R CB 0.129 30.420 30.300 -0.014 0.000 1.046 376 R HN 0.397 nan 8.270 nan 0.000 0.508 377 Q N -0.112 119.662 119.800 -0.044 0.000 2.345 377 Q HA 0.185 4.524 4.340 -0.000 0.000 0.176 377 Q C -0.114 175.878 176.000 -0.013 0.000 0.723 377 Q CA -0.113 55.652 55.803 -0.063 0.000 0.743 377 Q CB -0.370 28.326 28.738 -0.070 0.000 1.260 377 Q HN 0.062 nan 8.270 nan 0.000 0.535 378 L N 2.915 124.149 121.223 0.018 0.000 2.265 378 L HA 0.292 4.632 4.340 -0.000 0.000 0.288 378 L C -0.716 176.185 176.870 0.052 0.000 1.058 378 L CA -0.105 54.761 54.840 0.043 0.000 0.809 378 L CB 0.697 42.790 42.059 0.057 0.000 1.179 378 L HN 0.087 nan 8.230 nan 0.000 0.429 379 D N 4.080 124.518 120.400 0.064 0.000 2.350 379 D HA 0.262 4.902 4.640 -0.000 0.000 0.249 379 D C -0.047 176.348 176.300 0.157 0.000 1.119 379 D CA 0.579 54.596 54.000 0.028 0.000 0.886 379 D CB 0.307 41.121 40.800 0.022 0.000 1.195 379 D HN 0.533 nan 8.370 nan 0.000 0.437 380 F N 0.224 120.194 119.950 0.035 0.000 2.536 380 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 380 F C 0.630 176.448 175.800 0.030 0.000 0.654 380 F CA 0.407 58.425 58.000 0.029 0.000 1.632 380 F CB -1.708 37.306 39.000 0.024 0.000 2.021 380 F HN 0.238 nan 8.300 nan 0.000 0.311 381 S N 0.675 116.442 115.700 0.112 0.000 2.580 381 S HA 0.619 5.089 4.470 -0.000 0.000 0.274 381 S C 0.746 175.385 174.600 0.065 0.000 1.329 381 S CA -0.507 57.748 58.200 0.092 0.000 1.036 381 S CB 0.876 64.120 63.200 0.073 0.000 0.919 381 S HN 0.290 nan 8.310 nan 0.000 0.515 382 R N 1.577 122.116 120.500 0.065 0.000 2.801 382 R HA 0.414 4.754 4.340 -0.000 0.000 0.273 382 R C 0.362 176.672 176.300 0.017 0.000 1.080 382 R CA -0.069 56.056 56.100 0.041 0.000 1.197 382 R CB 0.182 30.505 30.300 0.038 0.000 1.109 382 R HN 0.730 nan 8.270 nan 0.000 0.535 383 A N 2.475 125.289 122.820 -0.011 0.000 2.450 383 A HA 0.175 4.495 4.320 -0.000 0.000 0.255 383 A C -1.715 175.845 177.584 -0.040 0.000 1.096 383 A CA -1.258 50.756 52.037 -0.037 0.000 0.778 383 A CB 0.183 19.125 19.000 -0.097 0.000 1.031 383 A HN 0.504 nan 8.150 nan 0.000 0.494 384 P HA -0.164 nan 4.420 nan 0.000 0.218 384 P C 1.432 178.704 177.300 -0.047 0.000 1.148 384 P CA 0.679 63.784 63.100 0.009 0.000 0.822 384 P CB 0.086 31.825 31.700 0.065 0.000 0.784 385 I N 0.074 120.540 120.570 -0.173 0.000 2.264 385 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 385 I C 2.048 178.060 176.117 -0.175 0.000 1.111 385 I CA 1.717 62.846 61.300 -0.285 0.000 1.382 385 I CB -0.617 36.872 38.000 -0.851 0.000 1.060 385 I HN -0.046 nan 8.210 nan 0.000 0.418 386 E N -0.434 119.680 120.200 -0.143 0.000 2.112 386 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 386 E C 2.174 178.753 176.600 -0.036 0.000 0.979 386 E CA 1.137 57.488 56.400 -0.081 0.000 0.814 386 E CB 0.101 29.762 29.700 -0.065 0.000 0.762 386 E HN 0.380 nan 8.360 nan 0.000 0.460 387 V N 1.476 121.379 119.914 -0.019 0.000 2.515 387 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 387 V C 2.388 178.488 176.094 0.010 0.000 1.058 387 V CA 1.178 63.483 62.300 0.008 0.000 1.064 387 V CB -0.411 31.428 31.823 0.027 0.000 0.675 387 V HN 0.307 nan 8.190 nan 0.000 0.461 388 L N 1.148 122.374 121.223 0.004 0.000 2.017 388 L HA -0.094 4.245 4.340 -0.000 0.000 0.208 388 L C 2.486 179.359 176.870 0.004 0.000 1.073 388 L CA 2.392 57.239 54.840 0.012 0.000 0.745 388 L CB -0.908 41.161 42.059 0.017 0.000 0.894 388 L HN 0.222 nan 8.230 nan 0.000 0.432 389 A N -1.004 121.810 122.820 -0.010 0.000 1.978 389 A HA -0.270 4.049 4.320 -0.000 0.000 0.220 389 A C 2.331 179.916 177.584 0.001 0.000 1.170 389 A CA 1.884 53.918 52.037 -0.005 0.000 0.636 389 A CB -0.668 18.323 19.000 -0.016 0.000 0.810 389 A HN 0.675 nan 8.150 nan 0.000 0.448 390 E N -1.025 119.175 120.200 0.001 0.000 2.122 390 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 390 E C 1.865 178.470 176.600 0.008 0.000 0.977 390 E CA 1.312 57.715 56.400 0.005 0.000 0.820 390 E CB -0.091 29.613 29.700 0.007 0.000 0.770 390 E HN 0.493 nan 8.360 nan 0.000 0.462 391 T N 1.475 116.035 114.554 0.010 0.000 2.701 391 T HA -0.137 4.213 4.350 -0.000 0.000 0.263 391 T C 1.845 176.548 174.700 0.007 0.000 1.040 391 T CA 1.499 63.607 62.100 0.012 0.000 1.147 391 T CB -0.091 68.789 68.868 0.020 0.000 0.865 391 T HN 0.155 nan 8.240 nan 0.000 0.426 392 M N 0.707 120.311 119.600 0.006 0.000 2.082 392 M HA -0.034 4.445 4.480 -0.000 0.000 0.258 392 M C -0.676 175.625 176.300 0.002 0.000 1.069 392 M CA 1.566 56.868 55.300 0.002 0.000 1.102 392 M CB -2.606 29.997 32.600 0.004 0.000 1.336 392 M HN 0.152 nan 8.290 nan 0.000 0.404 393 P HA -0.063 nan 4.420 nan 0.000 0.216 393 P C 1.872 179.172 177.300 0.001 0.000 1.153 393 P CA 1.160 64.262 63.100 0.004 0.000 0.848 393 P CB -0.135 31.568 31.700 0.005 0.000 0.787 394 I N -1.496 119.075 120.570 0.000 0.000 2.361 394 I HA -0.211 3.958 4.170 -0.000 0.000 0.251 394 I C 2.200 178.314 176.117 -0.006 0.000 1.133 394 I CA 1.123 62.421 61.300 -0.002 0.000 1.413 394 I CB -0.466 37.533 38.000 -0.001 0.000 1.073 394 I HN -0.080 nan 8.210 nan 0.000 0.424 395 L N 0.215 121.435 121.223 -0.005 0.000 2.005 395 L HA -0.214 4.125 4.340 -0.000 0.000 0.207 395 L C 2.488 179.353 176.870 -0.009 0.000 1.072 395 L CA 1.610 56.445 54.840 -0.009 0.000 0.744 395 L CB -0.729 41.324 42.059 -0.010 0.000 0.895 395 L HN 0.236 nan 8.230 nan 0.000 0.433 396 E N 0.156 120.352 120.200 -0.006 0.000 2.130 396 E HA -0.288 4.062 4.350 -0.000 0.000 0.196 396 E C 1.757 178.354 176.600 -0.005 0.000 0.998 396 E CA 1.166 57.563 56.400 -0.005 0.000 0.806 396 E CB -0.187 29.512 29.700 -0.002 0.000 0.738 396 E HN 0.560 nan 8.360 nan 0.000 0.459 397 Q N 0.126 119.923 119.800 -0.005 0.000 2.476 397 Q HA -0.010 4.330 4.340 -0.000 0.000 0.215 397 Q C 0.316 176.310 176.000 -0.009 0.000 0.966 397 Q CA 0.441 56.240 55.803 -0.006 0.000 0.976 397 Q CB 0.071 28.806 28.738 -0.005 0.000 0.988 397 Q HN 0.162 nan 8.270 nan 0.000 0.526 398 R N -1.144 119.350 120.500 -0.010 0.000 2.451 398 R HA 0.037 4.377 4.340 -0.000 0.000 0.320 398 R C -0.174 176.118 176.300 -0.014 0.000 0.731 398 R CA -0.168 55.924 56.100 -0.014 0.000 0.978 398 R CB -0.159 30.131 30.300 -0.018 0.000 1.654 398 R HN 0.096 nan 8.270 nan 0.000 0.520 399 N N 1.421 120.114 118.700 -0.011 0.000 2.654 399 N HA -0.211 4.529 4.740 -0.000 0.000 0.248 399 N C 0.167 175.669 175.510 -0.013 0.000 1.116 399 N CA 0.697 53.741 53.050 -0.010 0.000 0.730 399 N CB -0.724 37.758 38.487 -0.009 0.000 1.040 399 N HN 0.494 nan 8.380 nan 0.000 0.548 400 L N -0.798 120.416 121.223 -0.015 0.000 2.610 400 L HA -0.014 4.326 4.340 -0.000 0.000 0.232 400 L C 2.271 179.130 176.870 -0.017 0.000 1.149 400 L CA 0.068 54.898 54.840 -0.018 0.000 0.872 400 L CB -0.343 41.704 42.059 -0.021 0.000 0.992 400 L HN 0.231 nan 8.230 nan 0.000 0.447 401 K N 1.128 121.520 120.400 -0.014 0.000 2.081 401 K HA -0.272 4.048 4.320 -0.000 0.000 0.222 401 K C 0.915 177.504 176.600 -0.018 0.000 1.055 401 K CA 2.366 58.645 56.287 -0.014 0.000 0.954 401 K CB -0.104 32.391 32.500 -0.009 0.000 0.732 401 K HN 0.466 nan 8.250 nan 0.000 0.458 402 D N -0.886 119.504 120.400 -0.016 0.000 2.433 402 D HA 0.011 4.651 4.640 -0.000 0.000 0.211 402 D C 1.325 177.614 176.300 -0.019 0.000 1.114 402 D CA -0.108 53.881 54.000 -0.018 0.000 0.837 402 D CB 0.344 41.137 40.800 -0.011 0.000 0.984 402 D HN 0.107 nan 8.370 nan 0.000 0.505 403 K N 0.464 120.853 120.400 -0.019 0.000 2.211 403 K HA 0.014 4.334 4.320 -0.000 0.000 0.203 403 K C 0.763 177.350 176.600 -0.021 0.000 1.050 403 K CA 0.251 56.527 56.287 -0.018 0.000 0.945 403 K CB 0.274 32.763 32.500 -0.019 0.000 0.732 403 K HN 0.151 nan 8.250 nan 0.000 0.451 404 L N 1.295 122.502 121.223 -0.027 0.000 2.381 404 L HA 0.240 4.580 4.340 -0.000 0.000 0.274 404 L C -0.934 175.903 176.870 -0.056 0.000 0.988 404 L CA -0.338 54.484 54.840 -0.030 0.000 0.824 404 L CB 2.000 44.047 42.059 -0.019 0.000 1.263 404 L HN -0.038 nan 8.230 nan 0.000 0.410 405 E N 3.494 123.651 120.200 -0.071 0.000 2.229 405 E HA 0.408 4.757 4.350 -0.000 0.000 0.283 405 E C -1.134 175.327 176.600 -0.231 0.000 1.030 405 E CA -0.512 55.779 56.400 -0.183 0.000 0.836 405 E CB 1.735 31.332 29.700 -0.172 0.000 1.068 405 E HN 0.332 nan 8.360 nan 0.000 0.401 406 V N 5.363 125.093 119.914 -0.307 0.000 2.328 406 V HA 0.306 4.425 4.120 -0.000 0.000 0.278 406 V C -0.501 175.416 176.094 -0.294 0.000 1.021 406 V CA -0.527 61.665 62.300 -0.180 0.000 0.838 406 V CB -0.055 31.728 31.823 -0.067 0.000 0.999 406 V HN 0.507 nan 8.190 nan 0.000 0.447 407 F N 3.925 123.946 119.950 0.118 0.000 2.450 407 F HA 0.834 5.361 4.527 -0.000 0.000 0.328 407 F C 0.293 176.214 175.800 0.202 0.000 1.068 407 F CA -0.748 57.378 58.000 0.210 0.000 1.007 407 F CB 1.976 41.152 39.000 0.293 0.000 1.251 407 F HN 0.400 nan 8.300 nan 0.000 0.492 408 V N -1.044 119.121 119.914 0.419 0.000 3.087 408 V HA 0.860 4.979 4.120 -0.000 0.000 0.306 408 V C -1.798 174.451 176.094 0.258 0.000 1.187 408 V CA -0.799 61.671 62.300 0.284 0.000 0.999 408 V CB 1.888 33.837 31.823 0.211 0.000 1.049 408 V HN 0.828 nan 8.190 nan 0.000 0.431 409 D N 0.342 120.856 120.400 0.191 0.000 2.626 409 D HA 0.825 5.465 4.640 -0.000 0.000 0.278 409 D C -0.077 176.299 176.300 0.126 0.000 1.211 409 D CA -0.143 53.927 54.000 0.117 0.000 0.903 409 D CB 1.422 42.261 40.800 0.066 0.000 1.408 409 D HN 2.275 nan 8.370 nan 0.000 0.454 410 G N -1.503 107.357 108.800 0.099 0.000 3.373 410 G HA2 0.471 4.431 3.960 -0.000 0.000 0.685 410 G HA3 0.471 4.431 3.960 -0.000 0.000 0.685 410 G C 0.742 175.750 174.900 0.181 0.000 1.166 410 G CA 0.323 45.498 45.100 0.127 0.000 1.063 410 G HN 1.851 nan 8.290 nan 0.000 0.481 411 G N -0.673 108.210 108.800 0.137 0.000 2.168 411 G HA2 0.007 3.966 3.960 -0.000 0.000 0.257 411 G HA3 0.007 3.966 3.960 -0.000 0.000 0.257 411 G C 0.637 175.632 174.900 0.158 0.000 0.997 411 G CA 0.778 45.979 45.100 0.167 0.000 0.708 411 G HN 1.884 nan 8.290 nan 0.000 0.520 412 V N 1.012 120.926 119.914 -0.000 0.000 2.455 412 V HA 0.493 4.613 4.120 -0.000 0.000 0.273 412 V C 1.213 177.183 176.094 -0.206 0.000 1.045 412 V CA -0.044 62.142 62.300 -0.190 0.000 0.976 412 V CB 1.314 33.022 31.823 -0.192 0.000 0.993 412 V HN 0.374 nan 8.190 nan 0.000 0.475 413 R N 3.397 123.770 120.500 -0.211 0.000 2.556 413 R HA 0.331 4.671 4.340 -0.000 0.000 0.276 413 R C 0.257 176.360 176.300 -0.329 0.000 0.931 413 R CA -0.224 55.676 56.100 -0.333 0.000 1.061 413 R CB 0.884 30.928 30.300 -0.426 0.000 1.432 413 R HN 0.434 nan 8.270 nan 0.000 0.547 414 R N -0.687 119.687 120.500 -0.210 0.000 2.795 414 R HA 0.404 4.744 4.340 -0.000 0.000 0.275 414 R C 0.934 177.147 176.300 -0.144 0.000 0.981 414 R CA -0.293 55.717 56.100 -0.151 0.000 0.917 414 R CB 1.361 31.643 30.300 -0.031 0.000 1.202 414 R HN 0.064 nan 8.270 nan 0.000 0.469 415 G N 0.103 108.840 108.800 -0.104 0.000 2.442 415 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.219 415 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.219 415 G C 1.182 176.084 174.900 0.002 0.000 1.141 415 G CA 1.720 46.784 45.100 -0.060 0.000 0.763 415 G HN 0.685 nan 8.290 nan 0.000 0.554 416 T N -0.856 113.723 114.554 0.042 0.000 2.881 416 T HA -0.093 4.257 4.350 -0.000 0.000 0.270 416 T C 1.748 176.518 174.700 0.117 0.000 1.068 416 T CA 1.606 63.817 62.100 0.185 0.000 1.131 416 T CB -0.204 68.821 68.868 0.262 0.000 0.871 416 T HN 0.190 nan 8.240 nan 0.000 0.479 417 D N 1.321 121.668 120.400 -0.090 0.000 2.117 417 D HA -0.033 4.606 4.640 -0.000 0.000 0.198 417 D C 2.379 178.570 176.300 -0.182 0.000 0.982 417 D CA 0.806 54.580 54.000 -0.376 0.000 0.828 417 D CB -0.510 39.804 40.800 -0.810 0.000 0.967 417 D HN 0.318 nan 8.370 nan 0.000 0.464 418 V N 1.456 121.313 119.914 -0.094 0.000 2.287 418 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 418 V C 2.704 178.876 176.094 0.130 0.000 1.053 418 V CA 1.171 63.492 62.300 0.035 0.000 1.027 418 V CB -0.537 31.316 31.823 0.050 0.000 0.646 418 V HN 0.194 nan 8.190 nan 0.000 0.447 419 L N -0.592 120.719 121.223 0.147 0.000 2.079 419 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 419 L C 2.602 179.632 176.870 0.268 0.000 1.081 419 L CA 1.731 56.687 54.840 0.193 0.000 0.752 419 L CB -0.606 41.562 42.059 0.181 0.000 0.896 419 L HN 0.321 nan 8.230 nan 0.000 0.433 420 K N -0.038 120.542 120.400 0.301 0.000 2.057 420 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 420 K C 2.274 179.009 176.600 0.224 0.000 1.049 420 K CA 1.322 57.767 56.287 0.263 0.000 0.931 420 K CB -0.272 32.356 32.500 0.212 0.000 0.714 420 K HN 0.272 nan 8.250 nan 0.000 0.440 421 A N 1.585 124.566 122.820 0.268 0.000 1.883 421 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 421 A C 2.154 179.828 177.584 0.150 0.000 1.186 421 A CA 1.344 53.511 52.037 0.218 0.000 0.624 421 A CB -0.744 18.414 19.000 0.262 0.000 0.822 421 A HN 0.155 nan 8.150 nan 0.000 0.444 422 L N -0.823 120.491 121.223 0.152 0.000 2.012 422 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 422 L C 2.743 179.672 176.870 0.098 0.000 1.073 422 L CA 1.484 56.394 54.840 0.116 0.000 0.748 422 L CB -0.833 41.297 42.059 0.118 0.000 0.891 422 L HN 0.484 nan 8.230 nan 0.000 0.431 423 C N -0.155 119.217 119.300 0.120 0.000 2.411 423 C HA -0.140 4.320 4.460 -0.000 0.000 0.279 423 C C 2.659 177.699 174.990 0.083 0.000 1.288 423 C CA 0.537 59.620 59.018 0.108 0.000 1.764 423 C CB -0.842 26.989 27.740 0.152 0.000 1.974 423 C HN 0.436 nan 8.230 nan 0.000 0.498 424 L N -0.002 121.270 121.223 0.082 0.000 2.478 424 L HA 0.162 4.502 4.340 -0.000 0.000 0.223 424 L C 1.948 178.841 176.870 0.039 0.000 1.140 424 L CA 1.248 56.121 54.840 0.055 0.000 0.842 424 L CB -0.333 41.755 42.059 0.048 0.000 0.953 424 L HN 0.560 nan 8.230 nan 0.000 0.452 425 G N -0.880 107.944 108.800 0.040 0.000 2.205 425 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.180 425 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.180 425 G C 0.320 175.214 174.900 -0.011 0.000 1.004 425 G CA -0.248 44.861 45.100 0.014 0.000 0.670 425 G HN 0.377 nan 8.290 nan 0.000 0.496 426 A N 0.117 122.944 122.820 0.011 0.000 2.462 426 A HA 0.650 4.970 4.320 -0.000 0.000 0.243 426 A C 1.262 178.804 177.584 -0.071 0.000 1.076 426 A CA 1.386 53.412 52.037 -0.018 0.000 0.773 426 A CB 0.566 19.611 19.000 0.074 0.000 1.010 426 A HN 0.387 nan 8.150 nan 0.000 0.493 427 K N 1.144 121.382 120.400 -0.270 0.000 2.228 427 K HA 0.188 4.507 4.320 -0.000 0.000 0.202 427 K C 0.747 177.317 176.600 -0.049 0.000 1.051 427 K CA 1.345 57.454 56.287 -0.295 0.000 0.960 427 K CB 0.106 32.185 32.500 -0.701 0.000 0.743 427 K HN 0.979 nan 8.250 nan 0.000 0.458 428 G N -1.409 107.453 108.800 0.104 0.000 2.646 428 G HA2 0.485 4.444 3.960 -0.000 0.000 0.291 428 G HA3 0.485 4.444 3.960 -0.000 0.000 0.291 428 G C -1.878 173.401 174.900 0.631 0.000 1.445 428 G CA -0.699 44.743 45.100 0.571 0.000 0.814 428 G HN -0.115 nan 8.290 nan 0.000 0.495 429 V N 0.129 120.343 119.914 0.500 0.000 2.531 429 V HA 0.814 4.934 4.120 -0.000 0.000 0.301 429 V C 0.720 176.708 176.094 -0.175 0.000 1.034 429 V CA -0.162 62.287 62.300 0.250 0.000 0.865 429 V CB 1.556 33.492 31.823 0.188 0.000 0.995 429 V HN 1.165 nan 8.190 nan 0.000 0.424 430 G N 3.684 112.230 108.800 -0.423 0.000 2.410 430 G HA2 0.749 4.709 3.960 -0.000 0.000 0.330 430 G HA3 0.749 4.709 3.960 -0.000 0.000 0.330 430 G C -1.451 173.244 174.900 -0.341 0.000 1.142 430 G CA -0.502 43.994 45.100 -1.007 0.000 0.902 430 G HN 0.473 nan 8.290 nan 0.000 0.491 431 L N 0.609 121.698 121.223 -0.223 0.000 2.408 431 L HA 0.665 5.004 4.340 -0.000 0.000 0.268 431 L C 0.957 177.840 176.870 0.022 0.000 0.986 431 L CA -0.191 54.607 54.840 -0.071 0.000 0.820 431 L CB 2.294 44.300 42.059 -0.088 0.000 1.303 431 L HN 0.720 nan 8.230 nan 0.000 0.411 432 G N 0.730 109.489 108.800 -0.069 0.000 2.710 432 G HA2 0.098 4.057 3.960 -0.000 0.000 0.215 432 G HA3 0.098 4.057 3.960 -0.000 0.000 0.215 432 G C 1.236 176.003 174.900 -0.222 0.000 1.345 432 G CA -0.099 44.941 45.100 -0.101 0.000 0.812 432 G HN 0.485 nan 8.290 nan 0.000 0.606 433 R N 1.246 121.551 120.500 -0.325 0.000 2.113 433 R HA -0.110 4.229 4.340 -0.000 0.000 0.244 433 R C -0.129 175.711 176.300 -0.765 0.000 1.142 433 R CA 2.006 57.728 56.100 -0.631 0.000 0.953 433 R CB -1.295 28.697 30.300 -0.515 0.000 0.860 433 R HN 0.304 nan 8.270 nan 0.000 0.438 434 P HA -0.179 nan 4.420 nan 0.000 0.215 434 P C 0.927 177.965 177.300 -0.437 0.000 1.157 434 P CA 1.510 64.375 63.100 -0.392 0.000 0.874 434 P CB -0.133 31.251 31.700 -0.527 0.000 0.790 435 F N -1.485 118.309 119.950 -0.260 0.000 2.186 435 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 435 F C 2.359 177.991 175.800 -0.280 0.000 1.090 435 F CA 0.646 58.497 58.000 -0.248 0.000 1.307 435 F CB -0.885 37.998 39.000 -0.196 0.000 1.019 435 F HN -0.192 nan 8.300 nan 0.000 0.489 436 L N -0.993 120.093 121.223 -0.229 0.000 1.989 436 L HA -0.283 4.056 4.340 -0.000 0.000 0.211 436 L C 2.464 179.247 176.870 -0.146 0.000 1.071 436 L CA 1.392 56.017 54.840 -0.357 0.000 0.749 436 L CB -0.716 40.881 42.059 -0.770 0.000 0.890 436 L HN 0.142 nan 8.230 nan 0.000 0.431 437 Y N -0.406 119.861 120.300 -0.056 0.000 2.181 437 Y HA -0.206 4.343 4.550 -0.000 0.000 0.288 437 Y C 2.612 178.474 175.900 -0.064 0.000 1.146 437 Y CA 0.644 58.774 58.100 0.051 0.000 1.164 437 Y CB -1.382 37.170 38.460 0.154 0.000 0.982 437 Y HN 0.151 nan 8.280 nan 0.000 0.515 438 A N 0.408 123.116 122.820 -0.185 0.000 1.883 438 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 438 A C 2.207 179.666 177.584 -0.209 0.000 1.186 438 A CA 2.106 53.728 52.037 -0.691 0.000 0.624 438 A CB -1.023 17.344 19.000 -1.055 0.000 0.822 438 A HN 0.490 nan 8.150 nan 0.000 0.444 439 N N -0.022 118.626 118.700 -0.087 0.000 2.223 439 N HA -0.087 4.652 4.740 -0.000 0.000 0.185 439 N C 1.672 177.207 175.510 0.043 0.000 1.016 439 N CA 1.743 54.789 53.050 -0.007 0.000 0.863 439 N CB -0.211 38.271 38.487 -0.009 0.000 0.983 439 N HN 0.349 nan 8.380 nan 0.000 0.429 440 S N -1.403 114.348 115.700 0.085 0.000 2.436 440 S HA 0.002 4.471 4.470 -0.000 0.000 0.228 440 S C 1.906 176.540 174.600 0.056 0.000 1.014 440 S CA 0.604 58.883 58.200 0.131 0.000 0.950 440 S CB -0.069 63.297 63.200 0.277 0.000 0.784 440 S HN 0.524 nan 8.310 nan 0.000 0.504 441 C N -0.745 118.567 119.300 0.019 0.000 2.558 441 C HA 0.278 4.738 4.460 -0.000 0.000 0.288 441 C C 1.062 175.822 174.990 -0.384 0.000 1.338 441 C CA -0.159 58.752 59.018 -0.179 0.000 1.760 441 C CB -0.814 26.837 27.740 -0.148 0.000 2.159 441 C HN 0.622 nan 8.230 nan 0.000 0.518 442 Y N 0.564 120.896 120.300 0.053 0.000 2.738 442 Y HA 0.418 4.967 4.550 -0.000 0.000 0.249 442 Y C 1.516 177.430 175.900 0.024 0.000 1.153 442 Y CA 0.288 58.422 58.100 0.058 0.000 1.165 442 Y CB -0.442 38.084 38.460 0.112 0.000 1.235 442 Y HN 0.350 nan 8.280 nan 0.000 0.559 443 G N 2.071 110.937 108.800 0.108 0.000 2.582 443 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.300 443 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.300 443 G C 1.431 176.368 174.900 0.062 0.000 1.300 443 G CA 0.861 46.003 45.100 0.070 0.000 0.959 443 G HN 0.544 nan 8.290 nan 0.000 0.548 444 R N -0.068 120.458 120.500 0.044 0.000 2.117 444 R HA -0.148 4.192 4.340 -0.000 0.000 0.243 444 R C 2.003 178.328 176.300 0.042 0.000 1.143 444 R CA 2.118 58.234 56.100 0.028 0.000 0.968 444 R CB -0.662 29.648 30.300 0.017 0.000 0.863 444 R HN 0.479 nan 8.270 nan 0.000 0.444 445 N N 0.872 119.613 118.700 0.068 0.000 2.188 445 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 445 N C 1.953 177.510 175.510 0.078 0.000 1.018 445 N CA 1.543 54.636 53.050 0.072 0.000 0.858 445 N CB -0.644 37.895 38.487 0.085 0.000 0.989 445 N HN 0.505 nan 8.380 nan 0.000 0.426 446 G N 0.812 109.677 108.800 0.108 0.000 2.440 446 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 446 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 446 G C 1.683 176.533 174.900 -0.084 0.000 1.154 446 G CA 0.827 45.949 45.100 0.036 0.000 0.767 446 G HN 0.201 nan 8.290 nan 0.000 0.552 447 V N 0.579 120.483 119.914 -0.017 0.000 2.343 447 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 447 V C 2.581 178.741 176.094 0.110 0.000 1.051 447 V CA 2.236 64.570 62.300 0.055 0.000 1.036 447 V CB -0.369 31.462 31.823 0.013 0.000 0.654 447 V HN 0.561 nan 8.190 nan 0.000 0.451 448 E N 0.304 120.548 120.200 0.072 0.000 2.058 448 E HA -0.322 4.027 4.350 -0.000 0.000 0.194 448 E C 2.230 178.904 176.600 0.124 0.000 0.997 448 E CA 1.718 58.167 56.400 0.083 0.000 0.801 448 E CB -0.048 29.684 29.700 0.053 0.000 0.746 448 E HN 0.434 nan 8.360 nan 0.000 0.450 449 K N 0.706 121.186 120.400 0.132 0.000 2.057 449 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 449 K C 1.753 178.499 176.600 0.244 0.000 1.049 449 K CA 1.502 57.892 56.287 0.172 0.000 0.931 449 K CB -0.507 32.122 32.500 0.215 0.000 0.714 449 K HN 0.182 nan 8.250 nan 0.000 0.440 450 A N 0.610 123.603 122.820 0.288 0.000 1.902 450 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 450 A C 2.269 179.987 177.584 0.223 0.000 1.181 450 A CA 1.736 53.936 52.037 0.271 0.000 0.623 450 A CB -0.662 18.390 19.000 0.087 0.000 0.818 450 A HN 0.359 nan 8.150 nan 0.000 0.443 451 I N -0.454 120.319 120.570 0.339 0.000 2.286 451 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 451 I C 2.517 178.805 176.117 0.284 0.000 1.115 451 I CA 1.537 63.077 61.300 0.399 0.000 1.392 451 I CB -0.360 37.837 38.000 0.329 0.000 1.065 451 I HN 0.450 nan 8.210 nan 0.000 0.418 452 E N 0.835 121.143 120.200 0.180 0.000 2.047 452 E HA -0.198 4.151 4.350 -0.000 0.000 0.191 452 E C 2.328 178.978 176.600 0.084 0.000 0.987 452 E CA 1.247 57.721 56.400 0.122 0.000 0.799 452 E CB -0.091 29.660 29.700 0.084 0.000 0.752 452 E HN 0.457 nan 8.360 nan 0.000 0.449 453 I N 0.817 121.421 120.570 0.056 0.000 2.151 453 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 453 I C 2.475 178.565 176.117 -0.044 0.000 1.080 453 I CA 0.774 62.071 61.300 -0.005 0.000 1.339 453 I CB -0.114 37.868 38.000 -0.028 0.000 1.039 453 I HN 0.138 nan 8.210 nan 0.000 0.409 454 L N 0.751 121.920 121.223 -0.091 0.000 2.072 454 L HA -0.149 4.190 4.340 -0.000 0.000 0.205 454 L C 2.613 179.459 176.870 -0.041 0.000 1.079 454 L CA 1.627 56.330 54.840 -0.228 0.000 0.752 454 L CB -0.741 40.924 42.059 -0.656 0.000 0.906 454 L HN 0.101 nan 8.230 nan 0.000 0.436 455 R N -0.450 120.149 120.500 0.165 0.000 2.083 455 R HA -0.183 4.156 4.340 -0.000 0.000 0.237 455 R C 1.782 178.155 176.300 0.122 0.000 1.137 455 R CA 2.053 58.314 56.100 0.269 0.000 0.951 455 R CB -0.416 30.041 30.300 0.262 0.000 0.851 455 R HN 0.383 nan 8.270 nan 0.000 0.434 456 D N 0.448 120.891 120.400 0.072 0.000 2.144 456 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 456 D C 1.770 178.080 176.300 0.017 0.000 0.984 456 D CA 1.143 55.165 54.000 0.037 0.000 0.834 456 D CB -0.188 40.624 40.800 0.021 0.000 0.955 456 D HN 0.449 nan 8.370 nan 0.000 0.465 457 E N 0.112 120.312 120.200 -0.000 0.000 2.077 457 E HA -0.108 4.241 4.350 -0.000 0.000 0.193 457 E C 2.312 178.909 176.600 -0.004 0.000 0.989 457 E CA 0.492 56.881 56.400 -0.018 0.000 0.800 457 E CB 0.015 29.684 29.700 -0.051 0.000 0.746 457 E HN 0.326 nan 8.360 nan 0.000 0.452 458 I N 0.958 121.540 120.570 0.021 0.000 2.202 458 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 458 I C 2.292 178.425 176.117 0.026 0.000 1.091 458 I CA 1.107 62.431 61.300 0.040 0.000 1.368 458 I CB -0.257 37.807 38.000 0.107 0.000 1.058 458 I HN 0.081 nan 8.210 nan 0.000 0.410 459 E N 0.675 120.897 120.200 0.036 0.000 2.051 459 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 459 E C 2.349 178.948 176.600 -0.002 0.000 0.991 459 E CA 1.408 57.821 56.400 0.021 0.000 0.799 459 E CB -0.095 29.622 29.700 0.029 0.000 0.748 459 E HN 0.442 nan 8.360 nan 0.000 0.449 460 M N 0.242 119.839 119.600 -0.005 0.000 2.067 460 M HA -0.155 4.325 4.480 -0.000 0.000 0.260 460 M C 2.482 178.758 176.300 -0.039 0.000 1.069 460 M CA 1.264 56.553 55.300 -0.018 0.000 1.117 460 M CB -0.170 32.422 32.600 -0.014 0.000 1.334 460 M HN -0.047 nan 8.290 nan 0.000 0.407 461 S N 0.164 115.833 115.700 -0.051 0.000 2.447 461 S HA -0.063 4.407 4.470 -0.000 0.000 0.233 461 S C 1.765 176.281 174.600 -0.139 0.000 1.006 461 S CA 0.838 58.978 58.200 -0.101 0.000 0.957 461 S CB -0.255 62.884 63.200 -0.103 0.000 0.773 461 S HN 0.426 nan 8.310 nan 0.000 0.507 462 M N 1.318 120.866 119.600 -0.088 0.000 2.117 462 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 462 M C 2.101 178.354 176.300 -0.078 0.000 1.065 462 M CA 1.421 56.671 55.300 -0.084 0.000 1.114 462 M CB -0.106 32.475 32.600 -0.032 0.000 1.361 462 M HN 0.168 nan 8.290 nan 0.000 0.408 463 R N 0.155 120.621 120.500 -0.055 0.000 2.081 463 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 463 R C 2.057 178.322 176.300 -0.058 0.000 1.131 463 R CA 1.393 57.467 56.100 -0.043 0.000 0.960 463 R CB -0.521 29.762 30.300 -0.028 0.000 0.856 463 R HN 0.446 nan 8.270 nan 0.000 0.436 464 L N 0.509 121.685 121.223 -0.078 0.000 2.376 464 L HA -0.089 4.251 4.340 -0.000 0.000 0.219 464 L C 2.228 179.028 176.870 -0.117 0.000 1.133 464 L CA 0.618 55.407 54.840 -0.084 0.000 0.816 464 L CB -0.242 41.767 42.059 -0.083 0.000 0.933 464 L HN 0.235 nan 8.230 nan 0.000 0.449 465 L N -0.108 121.015 121.223 -0.168 0.000 2.341 465 L HA 0.050 4.389 4.340 -0.000 0.000 0.214 465 L C 1.254 178.066 176.870 -0.096 0.000 1.115 465 L CA 0.797 55.517 54.840 -0.198 0.000 0.820 465 L CB -0.176 41.713 42.059 -0.283 0.000 0.944 465 L HN 0.528 nan 8.230 nan 0.000 0.452 466 G N 0.623 109.381 108.800 -0.069 0.000 2.165 466 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.226 466 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.226 466 G C -0.100 174.784 174.900 -0.025 0.000 1.035 466 G CA 0.183 45.261 45.100 -0.037 0.000 0.744 466 G HN 0.313 nan 8.290 nan 0.000 0.501 467 V N -3.791 116.105 119.914 -0.029 0.000 3.130 467 V HA 0.962 5.082 4.120 -0.000 0.000 0.310 467 V C 0.660 176.748 176.094 -0.009 0.000 1.158 467 V CA 0.395 62.687 62.300 -0.013 0.000 1.029 467 V CB 1.750 33.568 31.823 -0.009 0.000 1.057 467 V HN 0.985 nan 8.190 nan 0.000 0.436 468 T N -2.207 112.348 114.554 0.002 0.000 3.043 468 T HA 0.448 4.797 4.350 -0.000 0.000 0.272 468 T C 0.467 175.176 174.700 0.015 0.000 0.990 468 T CA 0.507 62.610 62.100 0.006 0.000 0.897 468 T CB -0.366 68.506 68.868 0.007 0.000 1.111 468 T HN 1.668 nan 8.240 nan 0.000 0.529 469 S N 0.061 115.772 115.700 0.019 0.000 2.579 469 S HA 0.599 5.069 4.470 -0.000 0.000 0.272 469 S C 0.541 175.160 174.600 0.032 0.000 1.141 469 S CA -0.966 57.252 58.200 0.029 0.000 0.843 469 S CB 0.982 64.201 63.200 0.031 0.000 1.122 469 S HN -0.111 nan 8.310 nan 0.000 0.468 470 I N 1.402 121.996 120.570 0.040 0.000 2.194 470 I HA -0.174 3.996 4.170 -0.000 0.000 0.246 470 I C 2.843 178.985 176.117 0.041 0.000 1.093 470 I CA 2.156 63.483 61.300 0.045 0.000 1.355 470 I CB -2.031 35.999 38.000 0.049 0.000 1.046 470 I HN 0.924 nan 8.210 nan 0.000 0.413 471 A N 0.249 123.092 122.820 0.038 0.000 2.070 471 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 471 A C 2.061 179.663 177.584 0.030 0.000 1.159 471 A CA 1.251 53.308 52.037 0.033 0.000 0.656 471 A CB -0.598 18.422 19.000 0.032 0.000 0.800 471 A HN 0.538 nan 8.150 nan 0.000 0.453 472 E N -0.560 119.657 120.200 0.028 0.000 2.489 472 E HA 0.144 4.494 4.350 -0.000 0.000 0.193 472 E C -0.471 176.147 176.600 0.029 0.000 1.057 472 E CA -0.304 56.111 56.400 0.025 0.000 0.866 472 E CB -0.014 29.698 29.700 0.019 0.000 0.916 472 E HN 0.546 nan 8.360 nan 0.000 0.500 473 L N 2.471 123.716 121.223 0.037 0.000 2.407 473 L HA 0.175 4.514 4.340 -0.000 0.000 0.282 473 L C 0.162 177.065 176.870 0.054 0.000 1.110 473 L CA 0.328 55.197 54.840 0.049 0.000 0.863 473 L CB 0.160 42.255 42.059 0.061 0.000 1.207 473 L HN -0.100 nan 8.230 nan 0.000 0.454 474 K N 3.737 124.171 120.400 0.057 0.000 2.395 474 K HA 0.427 4.746 4.320 -0.000 0.000 0.245 474 K C -1.933 174.708 176.600 0.068 0.000 1.017 474 K CA -1.755 54.565 56.287 0.054 0.000 0.852 474 K CB 1.725 34.250 32.500 0.041 0.000 1.311 474 K HN -0.039 nan 8.250 nan 0.000 0.452 475 P HA -0.223 nan 4.420 nan 0.000 0.218 475 P C 0.525 177.866 177.300 0.068 0.000 1.148 475 P CA 1.406 64.544 63.100 0.062 0.000 0.822 475 P CB 0.070 31.797 31.700 0.044 0.000 0.784 476 D N -0.988 119.447 120.400 0.058 0.000 2.351 476 D HA -0.128 4.512 4.640 -0.000 0.000 0.216 476 D C 1.436 177.783 176.300 0.077 0.000 0.968 476 D CA 0.769 54.803 54.000 0.058 0.000 0.899 476 D CB -0.646 40.180 40.800 0.043 0.000 0.907 476 D HN 0.101 nan 8.370 nan 0.000 0.514 477 L N -0.022 121.259 121.223 0.097 0.000 2.492 477 L HA 0.245 4.585 4.340 -0.000 0.000 0.223 477 L C 0.802 177.802 176.870 0.216 0.000 1.132 477 L CA 0.444 55.363 54.840 0.131 0.000 0.850 477 L CB -0.447 41.683 42.059 0.119 0.000 0.966 477 L HN 0.082 nan 8.230 nan 0.000 0.454 478 L N -0.946 120.381 121.223 0.174 0.000 2.330 478 L HA 0.367 4.707 4.340 -0.000 0.000 0.271 478 L C -0.488 176.448 176.870 0.111 0.000 1.013 478 L CA -0.844 54.093 54.840 0.161 0.000 0.816 478 L CB 1.660 43.785 42.059 0.110 0.000 1.287 478 L HN -0.155 nan 8.230 nan 0.000 0.435 479 D N 2.000 122.463 120.400 0.105 0.000 2.427 479 D HA 0.315 4.955 4.640 -0.000 0.000 0.226 479 D C 0.113 176.450 176.300 0.062 0.000 1.076 479 D CA -0.190 53.860 54.000 0.082 0.000 0.849 479 D CB 1.092 41.951 40.800 0.098 0.000 1.052 479 D HN 0.379 nan 8.370 nan 0.000 0.515 480 L N 2.766 124.013 121.223 0.041 0.000 2.640 480 L HA 0.067 4.406 4.340 -0.000 0.000 0.230 480 L C 2.164 179.045 176.870 0.017 0.000 1.123 480 L CA 0.033 54.889 54.840 0.027 0.000 0.900 480 L CB -0.058 42.014 42.059 0.021 0.000 1.146 480 L HN 0.391 nan 8.230 nan 0.000 0.484 481 S N -0.887 114.821 115.700 0.013 0.000 2.440 481 S HA -0.179 4.291 4.470 -0.000 0.000 0.238 481 S C 1.628 176.224 174.600 -0.006 0.000 1.010 481 S CA 1.616 59.816 58.200 -0.001 0.000 0.972 481 S CB -0.650 62.544 63.200 -0.011 0.000 0.774 481 S HN 0.539 nan 8.310 nan 0.000 0.501 482 T N -1.767 112.787 114.554 -0.001 0.000 3.228 482 T HA 0.396 4.745 4.350 -0.000 0.000 0.278 482 T C 1.166 175.874 174.700 0.014 0.000 1.014 482 T CA -0.450 61.650 62.100 -0.001 0.000 0.904 482 T CB 0.091 68.949 68.868 -0.016 0.000 1.110 482 T HN 0.245 nan 8.240 nan 0.000 0.541 483 L N 0.832 122.062 121.223 0.011 0.000 2.127 483 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 483 L C 1.398 178.267 176.870 -0.002 0.000 1.089 483 L CA 1.502 56.344 54.840 0.003 0.000 0.757 483 L CB -0.232 41.823 42.059 -0.006 0.000 0.899 483 L HN 0.215 nan 8.230 nan 0.000 0.434 484 K N 0.081 120.482 120.400 0.001 0.000 2.437 484 K HA 0.196 4.516 4.320 -0.000 0.000 0.198 484 K C 0.748 177.351 176.600 0.006 0.000 1.024 484 K CA 0.327 56.615 56.287 0.002 0.000 1.148 484 K CB 0.280 32.782 32.500 0.002 0.000 0.860 484 K HN 0.175 nan 8.250 nan 0.000 0.515 485 A N 1.952 124.777 122.820 0.008 0.000 3.135 485 A HA 0.097 4.417 4.320 -0.000 0.000 0.253 485 A C 0.257 177.851 177.584 0.017 0.000 1.638 485 A CA -0.248 51.795 52.037 0.010 0.000 1.295 485 A CB -0.620 18.385 19.000 0.008 0.000 1.106 485 A HN 0.132 nan 8.150 nan 0.000 0.648 486 R N 1.540 122.050 120.500 0.017 0.000 2.205 486 R HA 0.331 4.671 4.340 -0.000 0.000 0.342 486 R C -0.154 176.164 176.300 0.029 0.000 1.058 486 R CA 0.395 56.509 56.100 0.024 0.000 0.904 486 R CB 0.283 30.599 30.300 0.026 0.000 1.089 486 R HN 0.516 nan 8.270 nan 0.000 0.471 487 T N -0.447 114.124 114.554 0.029 0.000 2.932 487 T HA 0.545 4.894 4.350 -0.000 0.000 0.289 487 T C -0.515 174.206 174.700 0.035 0.000 1.039 487 T CA -0.778 61.338 62.100 0.028 0.000 1.024 487 T CB 2.026 70.906 68.868 0.019 0.000 1.090 487 T HN 0.166 nan 8.240 nan 0.000 0.496 488 V N 1.636 121.569 119.914 0.031 0.000 2.447 488 V HA 0.644 4.763 4.120 -0.000 0.000 0.292 488 V C 0.954 177.061 176.094 0.022 0.000 1.021 488 V CA -0.754 61.567 62.300 0.035 0.000 0.850 488 V CB 1.191 33.040 31.823 0.042 0.000 1.005 488 V HN 1.301 nan 8.190 nan 0.000 0.426 489 G N 3.400 112.213 108.800 0.020 0.000 2.594 489 G HA2 0.394 4.354 3.960 -0.000 0.000 0.243 489 G HA3 0.394 4.354 3.960 -0.000 0.000 0.243 489 G C -0.029 174.876 174.900 0.008 0.000 1.229 489 G CA -0.284 44.823 45.100 0.011 0.000 0.843 489 G HN 0.553 nan 8.290 nan 0.000 0.578 490 V N 2.807 122.721 119.914 -0.001 0.000 2.740 490 V HA 0.072 4.192 4.120 -0.000 0.000 0.303 490 V C -1.310 174.784 176.094 0.000 0.000 1.054 490 V CA -0.803 61.494 62.300 -0.004 0.000 1.106 490 V CB 0.740 32.554 31.823 -0.015 0.000 0.957 490 V HN 0.640 nan 8.190 nan 0.000 0.486 491 P HA 0.006 nan 4.420 nan 0.000 0.264 491 P C -0.227 177.077 177.300 0.008 0.000 1.179 491 P CA 0.005 63.111 63.100 0.010 0.000 0.763 491 P CB 0.163 31.870 31.700 0.012 0.000 0.806 492 N N 2.027 120.737 118.700 0.017 0.000 2.458 492 N HA -0.070 4.669 4.740 -0.000 0.000 0.258 492 N C -0.216 175.311 175.510 0.028 0.000 1.219 492 N CA 0.212 53.275 53.050 0.021 0.000 0.902 492 N CB 0.166 38.673 38.487 0.033 0.000 1.076 492 N HN 0.257 nan 8.380 nan 0.000 0.455 493 D N 3.841 124.259 120.400 0.030 0.000 2.435 493 D HA 0.041 4.681 4.640 -0.000 0.000 0.230 493 D C 1.042 177.402 176.300 0.100 0.000 1.215 493 D CA -0.230 53.801 54.000 0.052 0.000 0.947 493 D CB 0.348 41.164 40.800 0.028 0.000 1.048 493 D HN 0.371 nan 8.370 nan 0.000 0.512 494 V N 4.648 124.608 119.914 0.076 0.000 2.231 494 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 494 V C 2.614 178.761 176.094 0.088 0.000 1.054 494 V CA 1.472 63.817 62.300 0.075 0.000 1.015 494 V CB -0.527 31.327 31.823 0.052 0.000 0.638 494 V HN 0.585 nan 8.190 nan 0.000 0.444 495 L N -1.543 119.733 121.223 0.088 0.000 2.046 495 L HA -0.219 4.120 4.340 -0.000 0.000 0.208 495 L C 2.502 179.432 176.870 0.100 0.000 1.077 495 L CA 2.131 57.019 54.840 0.080 0.000 0.747 495 L CB -0.754 41.348 42.059 0.071 0.000 0.896 495 L HN 0.400 nan 8.230 nan 0.000 0.432 496 Y N 1.359 121.677 120.300 0.031 0.000 2.128 496 Y HA -0.274 4.275 4.550 -0.000 0.000 0.284 496 Y C 2.515 178.455 175.900 0.066 0.000 1.154 496 Y CA 1.870 59.992 58.100 0.037 0.000 1.149 496 Y CB -0.162 38.302 38.460 0.008 0.000 0.976 496 Y HN 0.224 nan 8.280 nan 0.000 0.505 497 N N 0.096 118.936 118.700 0.233 0.000 2.409 497 N HA -0.118 4.621 4.740 -0.000 0.000 0.179 497 N C 1.680 177.263 175.510 0.121 0.000 1.032 497 N CA 1.187 54.345 53.050 0.181 0.000 0.898 497 N CB -0.178 38.422 38.487 0.189 0.000 0.971 497 N HN 0.486 nan 8.380 nan 0.000 0.441 498 E N 1.181 121.427 120.200 0.077 0.000 2.046 498 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 498 E C 1.748 178.358 176.600 0.017 0.000 0.982 498 E CA 0.656 57.085 56.400 0.048 0.000 0.800 498 E CB -0.358 29.365 29.700 0.038 0.000 0.756 498 E HN -0.010 nan 8.360 nan 0.000 0.449 499 V N -0.054 119.855 119.914 -0.008 0.000 2.871 499 V HA -0.003 4.117 4.120 -0.000 0.000 0.256 499 V C 0.386 176.442 176.094 -0.063 0.000 1.082 499 V CA 0.691 62.966 62.300 -0.041 0.000 1.105 499 V CB -0.515 31.277 31.823 -0.052 0.000 0.713 499 V HN 0.410 nan 8.190 nan 0.000 0.473 500 Y N 2.267 122.454 120.300 -0.189 0.000 2.497 500 Y HA 0.225 4.775 4.550 -0.000 0.000 0.334 500 Y C 0.357 176.201 175.900 -0.093 0.000 1.199 500 Y CA 0.134 58.119 58.100 -0.192 0.000 1.425 500 Y CB 0.419 38.732 38.460 -0.245 0.000 1.291 500 Y HN 0.344 nan 8.280 nan 0.000 0.562 501 E N 4.495 124.090 120.200 -1.008 0.000 2.155 501 E HA 0.341 4.691 4.350 -0.000 0.000 0.264 501 E C -0.211 175.756 176.600 -1.054 0.000 0.886 501 E CA -0.746 55.217 56.400 -0.727 0.000 0.752 501 E CB 1.468 30.937 29.700 -0.384 0.000 1.133 501 E HN 0.904 nan 8.360 nan 0.000 0.414 502 G N 3.440 111.893 108.800 -0.579 0.000 2.599 502 G HA2 0.322 4.282 3.960 -0.000 0.000 0.264 502 G HA3 0.322 4.282 3.960 -0.000 0.000 0.264 502 G C -2.048 172.780 174.900 -0.120 0.000 1.200 502 G CA -0.803 44.167 45.100 -0.216 0.000 0.896 502 G HN 0.283 nan 8.290 nan 0.000 0.536 503 P HA 0.277 nan 4.420 nan 0.000 0.270 503 P C 0.134 177.423 177.300 -0.017 0.000 1.223 503 P CA -0.074 63.019 63.100 -0.011 0.000 0.785 503 P CB 0.759 32.475 31.700 0.026 0.000 0.923 504 T N -1.380 113.161 114.554 -0.022 0.000 2.924 504 T HA 0.631 4.981 4.350 -0.000 0.000 0.291 504 T C -0.113 174.577 174.700 -0.017 0.000 1.045 504 T CA -0.978 61.111 62.100 -0.019 0.000 1.015 504 T CB 0.587 69.439 68.868 -0.026 0.000 1.103 504 T HN 0.092 nan 8.240 nan 0.000 0.496 505 L N 1.438 122.652 121.223 -0.015 0.000 2.453 505 L HA 0.402 4.741 4.340 -0.000 0.000 0.261 505 L C 1.367 178.213 176.870 -0.040 0.000 1.179 505 L CA -0.750 54.075 54.840 -0.025 0.000 0.813 505 L CB 0.775 42.822 42.059 -0.019 0.000 1.110 505 L HN 0.808 nan 8.230 nan 0.000 0.466 506 T N 1.557 116.073 114.554 -0.063 0.000 2.932 506 T HA 0.115 4.465 4.350 -0.000 0.000 0.312 506 T C -0.206 174.425 174.700 -0.115 0.000 1.071 506 T CA -0.433 61.616 62.100 -0.085 0.000 1.128 506 T CB 0.151 68.953 68.868 -0.109 0.000 0.984 506 T HN 0.671 nan 8.240 nan 0.000 0.549 507 E N 2.818 122.963 120.200 -0.092 0.000 2.249 507 E HA 0.438 4.788 4.350 -0.000 0.000 0.263 507 E C -0.731 175.808 176.600 -0.101 0.000 0.950 507 E CA -0.923 55.437 56.400 -0.068 0.000 0.827 507 E CB 0.819 30.538 29.700 0.031 0.000 1.220 507 E HN 0.445 nan 8.360 nan 0.000 0.411 508 F N 1.145 121.091 119.950 -0.005 0.000 2.490 508 F HA 0.050 4.577 4.527 -0.000 0.000 0.336 508 F C 1.449 177.246 175.800 -0.005 0.000 1.178 508 F CA -0.054 57.943 58.000 -0.005 0.000 1.301 508 F CB 0.393 39.390 39.000 -0.005 0.000 1.175 508 F HN 0.255 nan 8.300 nan 0.000 0.593 509 E N 0.950 121.267 120.200 0.196 0.000 2.404 509 E HA 0.004 4.353 4.350 -0.000 0.000 0.261 509 E C -0.742 175.918 176.600 0.099 0.000 1.074 509 E CA -0.196 56.267 56.400 0.106 0.000 0.917 509 E CB 0.303 30.050 29.700 0.080 0.000 0.965 509 E HN 0.365 nan 8.360 nan 0.000 0.433 510 D N 0.835 121.270 120.400 0.058 0.000 2.425 510 D HA 0.157 4.797 4.640 -0.000 0.000 0.247 510 D C 0.389 176.707 176.300 0.029 0.000 1.147 510 D CA 0.101 54.125 54.000 0.040 0.000 0.879 510 D CB 0.659 41.474 40.800 0.026 0.000 1.179 510 D HN 0.426 nan 8.370 nan 0.000 0.456 511 A N 0.000 122.830 122.820 0.017 0.000 2.254 511 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 511 A CA 0.000 52.039 52.037 0.004 0.000 0.836 511 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 511 A HN 0.000 nan 8.150 nan 0.000 0.486