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 2vsy_1_A DATA FIRST_RESID 21 DATA SEQUENCE QDFVAWLMLA DAELGMGDTT AGEMAVQRGL ALHPGHPEAV ARLGRVRWTQ DATA SEQUENCE QRHAEAAVLL QQASDAAPEH PGIALWLGHA LEDAGQAEAA AAAYTRAHQL DATA SEQUENCE LPEEPYITAQ LLNWRRRLCD WRALDVLSAQ VRAAVAQGVG AVEPFAFLSE DATA SEQUENCE DASAAEQLAC ARTRAQAIAA SVRPLAPTRV RSKGPLRVGF VSNGFGAHPT DATA SEQUENCE GLLTVALFEA LQRRQPDLQM HLFATSGDDG STLRTRLAQA STLHDVTALG DATA SEQUENCE HLATAKHIRH HGIDLLFDLR GWGGGGRPEV FALRPAPVQV NWLAYPGTSG DATA SEQUENCE APWMDYVLGD AFALPPALEP FYSEHVLRLQ GAFQPSDTSR VVAEPPSRTQ DATA SEQUENCE CGLPEQGVVL CCFNNSYKLN PQSMARMLAV LREVPDSVLW LLSGPGEADA DATA SEQUENCE RLRAFAHAQG VDAQRLVFMP KLPHPQYLAR YRHADLFLDT HPYNAHTTAS DATA SEQUENCE DALWTGCPVL TTPGETFAAR VAGSLNHHLG LDEMNVADDA AFVAKAVALA DATA SEQUENCE SDPAALTALH ARVDVLRRAS GVFHMDGFAD DFGALLQALA RRHGWLG 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 21 Q HA 0.000 nan 4.340 nan 0.000 0.214 21 Q C 0.000 176.153 176.000 0.255 0.000 1.003 21 Q CA 0.000 55.950 55.803 0.245 0.000 1.022 21 Q CB 0.000 28.814 28.738 0.127 0.000 1.108 22 D N 1.567 122.072 120.400 0.175 0.000 2.453 22 D HA 0.071 4.712 4.640 0.002 0.000 0.223 22 D C 0.456 176.930 176.300 0.290 0.000 1.183 22 D CA -0.192 53.888 54.000 0.133 0.000 0.933 22 D CB 0.176 40.949 40.800 -0.044 0.000 1.038 22 D HN 0.059 nan 8.370 nan 0.000 0.513 23 F N 2.745 122.851 119.950 0.260 0.000 2.045 23 F HA -0.336 4.192 4.527 0.002 0.000 0.297 23 F C 1.695 177.624 175.800 0.215 0.000 1.114 23 F CA 1.749 59.921 58.000 0.286 0.000 1.207 23 F CB -0.286 38.887 39.000 0.288 0.000 0.964 23 F HN 0.192 nan 8.300 nan 0.000 0.486 24 V N 0.484 120.342 119.914 -0.093 0.000 2.548 24 V HA -0.166 3.955 4.120 0.002 0.000 0.249 24 V C 2.755 178.764 176.094 -0.141 0.000 1.055 24 V CA 1.393 63.542 62.300 -0.251 0.000 1.065 24 V CB -1.913 29.855 31.823 -0.091 0.000 0.681 24 V HN 0.521 nan 8.190 nan 0.000 0.462 25 A N -0.389 122.373 122.820 -0.097 0.000 1.908 25 A HA -0.237 4.084 4.320 0.002 0.000 0.218 25 A C 1.943 179.423 177.584 -0.174 0.000 1.181 25 A CA 1.916 53.855 52.037 -0.162 0.000 0.627 25 A CB -0.861 17.994 19.000 -0.241 0.000 0.818 25 A HN 0.641 nan 8.150 nan 0.000 0.445 26 W N 0.255 121.505 121.300 -0.082 0.000 2.311 26 W HA -0.215 4.446 4.660 0.002 0.000 0.326 26 W C 2.263 178.722 176.519 -0.099 0.000 1.239 26 W CA 1.460 58.761 57.345 -0.073 0.000 1.258 26 W CB -0.527 28.905 29.460 -0.048 0.000 1.165 26 W HN 0.258 nan 8.180 nan 0.000 0.466 27 L N -0.924 120.341 121.223 0.070 0.000 1.994 27 L HA -0.289 4.052 4.340 0.002 0.000 0.208 27 L C 2.480 179.371 176.870 0.034 0.000 1.071 27 L CA 0.980 55.825 54.840 0.008 0.000 0.745 27 L CB -1.228 40.743 42.059 -0.147 0.000 0.892 27 L HN 0.033 nan 8.230 nan 0.000 0.431 28 M N -0.127 119.466 119.600 -0.012 0.000 2.144 28 M HA -0.200 4.281 4.480 0.002 0.000 0.260 28 M C 2.371 178.684 176.300 0.021 0.000 1.067 28 M CA 1.661 56.964 55.300 0.004 0.000 1.095 28 M CB -1.292 31.293 32.600 -0.026 0.000 1.365 28 M HN 0.276 nan 8.290 nan 0.000 0.406 29 L N 0.659 121.890 121.223 0.013 0.000 2.093 29 L HA -0.014 4.327 4.340 0.002 0.000 0.208 29 L C 2.475 179.386 176.870 0.069 0.000 1.085 29 L CA 1.967 56.821 54.840 0.023 0.000 0.755 29 L CB -1.110 40.950 42.059 0.002 0.000 0.904 29 L HN 0.222 nan 8.230 nan 0.000 0.435 30 A N -0.208 122.673 122.820 0.102 0.000 1.849 30 A HA -0.294 4.027 4.320 0.002 0.000 0.217 30 A C 2.005 179.640 177.584 0.085 0.000 1.202 30 A CA 2.238 54.337 52.037 0.103 0.000 0.629 30 A CB -1.183 17.881 19.000 0.107 0.000 0.834 30 A HN 0.531 nan 8.150 nan 0.000 0.447 31 D N -0.080 120.381 120.400 0.103 0.000 2.123 31 D HA -0.076 4.565 4.640 0.002 0.000 0.196 31 D C 2.206 178.555 176.300 0.082 0.000 0.992 31 D CA 1.607 55.680 54.000 0.122 0.000 0.833 31 D CB -0.565 40.338 40.800 0.172 0.000 0.954 31 D HN 0.465 nan 8.370 nan 0.000 0.455 32 A N 1.027 123.883 122.820 0.060 0.000 1.859 32 A HA -0.271 4.050 4.320 0.002 0.000 0.217 32 A C 2.124 179.728 177.584 0.033 0.000 1.198 32 A CA 2.037 54.097 52.037 0.039 0.000 0.629 32 A CB -0.860 18.153 19.000 0.022 0.000 0.830 32 A HN 0.219 nan 8.150 nan 0.000 0.446 33 E N -0.204 120.016 120.200 0.034 0.000 2.118 33 E HA -0.159 4.192 4.350 0.002 0.000 0.195 33 E C 1.961 178.571 176.600 0.017 0.000 0.992 33 E CA 1.203 57.618 56.400 0.025 0.000 0.804 33 E CB -0.266 29.454 29.700 0.034 0.000 0.741 33 E HN 0.599 nan 8.360 nan 0.000 0.458 34 L N -0.028 121.210 121.223 0.025 0.000 2.093 34 L HA -0.084 4.257 4.340 0.002 0.000 0.208 34 L C 2.536 179.414 176.870 0.015 0.000 1.085 34 L CA 1.150 55.997 54.840 0.012 0.000 0.755 34 L CB -0.896 41.170 42.059 0.012 0.000 0.904 34 L HN 0.296 nan 8.230 nan 0.000 0.435 35 G N 0.136 108.955 108.800 0.032 0.000 2.476 35 G HA2 -0.301 3.660 3.960 0.002 0.000 0.218 35 G HA3 -0.301 3.660 3.960 0.002 0.000 0.218 35 G C 1.581 176.489 174.900 0.014 0.000 1.164 35 G CA 0.670 45.789 45.100 0.032 0.000 0.768 35 G HN 0.153 nan 8.290 nan 0.000 0.560 36 M N 0.098 119.703 119.600 0.007 0.000 2.202 36 M HA 0.040 4.521 4.480 0.002 0.000 0.262 36 M C 2.204 178.495 176.300 -0.016 0.000 1.063 36 M CA 1.622 56.921 55.300 -0.003 0.000 1.097 36 M CB -0.805 31.792 32.600 -0.004 0.000 1.382 36 M HN 0.580 nan 8.290 nan 0.000 0.413 37 G N 0.503 109.289 108.800 -0.023 0.000 2.163 37 G HA2 -0.176 3.785 3.960 0.002 0.000 0.213 37 G HA3 -0.176 3.785 3.960 0.002 0.000 0.213 37 G C -0.113 174.756 174.900 -0.051 0.000 0.991 37 G CA 0.146 45.217 45.100 -0.048 0.000 0.653 37 G HN 0.482 nan 8.290 nan 0.000 0.518 38 D N 1.722 122.103 120.400 -0.032 0.000 2.358 38 D HA 0.395 5.036 4.640 0.002 0.000 0.258 38 D C 1.988 178.271 176.300 -0.028 0.000 1.223 38 D CA 0.766 54.749 54.000 -0.028 0.000 0.886 38 D CB 0.820 41.611 40.800 -0.013 0.000 1.120 38 D HN 0.354 nan 8.370 nan 0.000 0.482 39 T N 1.165 115.696 114.554 -0.038 0.000 2.452 39 T HA -0.268 4.083 4.350 0.002 0.000 0.251 39 T C 1.666 176.349 174.700 -0.028 0.000 1.232 39 T CA 2.283 64.358 62.100 -0.043 0.000 1.226 39 T CB -0.862 67.979 68.868 -0.046 0.000 0.864 39 T HN 0.429 nan 8.240 nan 0.000 0.399 40 T N 0.084 114.626 114.554 -0.021 0.000 3.057 40 T HA 0.496 4.847 4.350 0.002 0.000 0.254 40 T C 2.101 176.801 174.700 0.001 0.000 1.094 40 T CA 0.926 63.017 62.100 -0.015 0.000 1.088 40 T CB -0.767 68.091 68.868 -0.018 0.000 0.934 40 T HN 0.591 nan 8.240 nan 0.000 0.497 41 A N 1.162 123.989 122.820 0.010 0.000 1.858 41 A HA 0.226 4.547 4.320 0.002 0.000 0.216 41 A C 2.613 180.228 177.584 0.051 0.000 1.190 41 A CA 1.793 53.852 52.037 0.035 0.000 0.617 41 A CB -1.589 17.432 19.000 0.035 0.000 0.827 41 A HN 0.567 nan 8.150 nan 0.000 0.443 42 G N -0.488 108.335 108.800 0.038 0.000 2.469 42 G HA2 -0.301 3.660 3.960 0.002 0.000 0.220 42 G HA3 -0.301 3.660 3.960 0.002 0.000 0.220 42 G C 1.495 176.418 174.900 0.038 0.000 1.136 42 G CA 1.415 46.542 45.100 0.045 0.000 0.759 42 G HN 0.715 nan 8.290 nan 0.000 0.562 43 E N -0.597 119.612 120.200 0.014 0.000 2.033 43 E HA -0.061 4.290 4.350 0.002 0.000 0.189 43 E C 2.590 179.181 176.600 -0.016 0.000 0.979 43 E CA 0.516 56.916 56.400 0.000 0.000 0.802 43 E CB -0.189 29.504 29.700 -0.012 0.000 0.763 43 E HN 0.172 nan 8.360 nan 0.000 0.449 44 M N 0.914 120.503 119.600 -0.018 0.000 2.103 44 M HA -0.267 4.214 4.480 0.002 0.000 0.255 44 M C 2.450 178.690 176.300 -0.100 0.000 1.074 44 M CA 2.001 57.272 55.300 -0.048 0.000 1.090 44 M CB -1.288 31.306 32.600 -0.010 0.000 1.325 44 M HN 0.362 nan 8.290 nan 0.000 0.403 45 A N -0.490 122.333 122.820 0.006 0.000 1.933 45 A HA -0.075 4.246 4.320 0.002 0.000 0.218 45 A C 2.349 179.920 177.584 -0.022 0.000 1.175 45 A CA 1.858 53.948 52.037 0.088 0.000 0.628 45 A CB -0.881 18.301 19.000 0.303 0.000 0.814 45 A HN 0.353 nan 8.150 nan 0.000 0.444 46 V N 0.310 120.224 119.914 0.000 0.000 2.307 46 V HA -0.272 3.849 4.120 0.002 0.000 0.245 46 V C 2.580 178.645 176.094 -0.049 0.000 1.045 46 V CA 1.881 64.185 62.300 0.007 0.000 1.024 46 V CB -1.021 30.823 31.823 0.034 0.000 0.651 46 V HN 0.573 nan 8.190 nan 0.000 0.449 47 Q N 0.513 120.259 119.800 -0.089 0.000 2.197 47 Q HA -0.223 4.118 4.340 0.002 0.000 0.207 47 Q C 2.273 178.153 176.000 -0.200 0.000 0.984 47 Q CA 1.581 57.316 55.803 -0.113 0.000 0.869 47 Q CB -0.523 28.147 28.738 -0.113 0.000 0.906 47 Q HN 0.654 nan 8.270 nan 0.000 0.426 48 R N -0.389 119.881 120.500 -0.383 0.000 2.153 48 R HA 0.027 4.369 4.340 0.002 0.000 0.218 48 R C 2.359 178.414 176.300 -0.408 0.000 1.072 48 R CA 0.885 56.610 56.100 -0.625 0.000 0.990 48 R CB -0.318 29.087 30.300 -1.491 0.000 0.889 48 R HN 0.315 nan 8.270 nan 0.000 0.452 49 G N 1.537 110.239 108.800 -0.163 0.000 2.414 49 G HA2 -0.200 3.761 3.960 0.002 0.000 0.215 49 G HA3 -0.200 3.761 3.960 0.002 0.000 0.215 49 G C 1.433 176.510 174.900 0.295 0.000 1.188 49 G CA 0.252 45.518 45.100 0.277 0.000 0.783 49 G HN 0.093 nan 8.290 nan 0.000 0.537 50 L N 0.916 122.229 121.223 0.150 0.000 2.191 50 L HA 0.013 4.354 4.340 0.002 0.000 0.212 50 L C 3.239 180.101 176.870 -0.014 0.000 1.103 50 L CA 0.830 55.725 54.840 0.091 0.000 0.769 50 L CB -0.161 41.938 42.059 0.067 0.000 0.908 50 L HN 0.297 nan 8.230 nan 0.000 0.438 51 A N -0.599 122.184 122.820 -0.061 0.000 2.066 51 A HA -0.044 4.277 4.320 0.002 0.000 0.218 51 A C 2.144 179.642 177.584 -0.144 0.000 1.157 51 A CA 1.165 53.143 52.037 -0.098 0.000 0.670 51 A CB -0.284 18.644 19.000 -0.119 0.000 0.804 51 A HN 0.409 nan 8.150 nan 0.000 0.453 52 L N -2.017 119.089 121.223 -0.195 0.000 2.425 52 L HA 0.171 4.512 4.340 0.002 0.000 0.215 52 L C 0.272 176.659 176.870 -0.806 0.000 1.065 52 L CA 0.247 54.841 54.840 -0.409 0.000 0.842 52 L CB 0.155 42.028 42.059 -0.309 0.000 1.033 52 L HN 0.345 nan 8.230 nan 0.000 0.474 53 H N -0.407 118.433 119.070 -0.383 0.000 2.488 53 H HA 0.313 4.871 4.556 0.002 0.000 0.237 53 H C -2.439 172.780 175.328 -0.182 0.000 1.395 53 H CA -2.157 53.629 56.048 -0.437 0.000 1.491 53 H CB 0.490 29.651 29.762 -1.002 0.000 1.567 53 H HN -0.104 nan 8.280 nan 0.000 0.508 54 P HA -0.025 nan 4.420 nan 0.000 0.266 54 P C 1.313 178.652 177.300 0.065 0.000 1.193 54 P CA 1.483 64.599 63.100 0.026 0.000 0.770 54 P CB 0.717 32.418 31.700 0.002 0.000 0.836 55 G N 1.153 109.997 108.800 0.073 0.000 2.382 55 G HA2 -0.357 3.604 3.960 0.002 0.000 0.259 55 G HA3 -0.357 3.604 3.960 0.002 0.000 0.259 55 G C 0.423 175.382 174.900 0.098 0.000 1.009 55 G CA 0.732 45.873 45.100 0.068 0.000 0.625 55 G HN 0.816 nan 8.290 nan 0.000 0.541 56 H N 2.932 122.026 119.070 0.040 0.000 3.209 56 H HA 0.177 4.734 4.556 0.002 0.000 0.297 56 H C -0.150 175.242 175.328 0.107 0.000 0.936 56 H CA 0.541 56.629 56.048 0.067 0.000 1.392 56 H CB 1.059 30.877 29.762 0.092 0.000 1.349 56 H HN 0.204 nan 8.280 nan 0.000 0.568 57 P HA -0.124 nan 4.420 nan 0.000 0.221 57 P C 0.769 178.122 177.300 0.087 0.000 1.150 57 P CA 1.019 64.120 63.100 0.001 0.000 0.800 57 P CB 0.502 32.136 31.700 -0.110 0.000 0.787 58 E N 0.790 121.148 120.200 0.264 0.000 2.028 58 E HA -0.090 4.261 4.350 0.002 0.000 0.191 58 E C 2.375 179.114 176.600 0.231 0.000 0.988 58 E CA 1.713 58.248 56.400 0.225 0.000 0.799 58 E CB -1.411 28.475 29.700 0.310 0.000 0.755 58 E HN 0.153 nan 8.360 nan 0.000 0.447 59 A N 0.557 123.597 122.820 0.367 0.000 1.865 59 A HA -0.186 4.136 4.320 0.002 0.000 0.217 59 A C 2.534 180.246 177.584 0.213 0.000 1.191 59 A CA 1.815 54.020 52.037 0.281 0.000 0.623 59 A CB -0.990 18.284 19.000 0.457 0.000 0.826 59 A HN 0.138 nan 8.150 nan 0.000 0.444 60 V N 0.027 120.065 119.914 0.207 0.000 2.287 60 V HA -0.307 3.814 4.120 0.002 0.000 0.248 60 V C 3.079 179.253 176.094 0.134 0.000 1.053 60 V CA 2.166 64.549 62.300 0.140 0.000 1.027 60 V CB -1.452 30.436 31.823 0.107 0.000 0.646 60 V HN 0.649 nan 8.190 nan 0.000 0.447 61 A N -0.182 122.720 122.820 0.137 0.000 1.892 61 A HA -0.297 4.024 4.320 0.002 0.000 0.218 61 A C 2.366 180.123 177.584 0.288 0.000 1.188 61 A CA 2.318 54.464 52.037 0.181 0.000 0.631 61 A CB -0.584 18.478 19.000 0.103 0.000 0.822 61 A HN 0.511 nan 8.150 nan 0.000 0.447 62 R N -1.344 119.329 120.500 0.289 0.000 2.091 62 R HA -0.118 4.224 4.340 0.002 0.000 0.238 62 R C 2.044 178.425 176.300 0.135 0.000 1.136 62 R CA 1.423 57.691 56.100 0.280 0.000 0.959 62 R CB -0.493 29.946 30.300 0.232 0.000 0.856 62 R HN 0.473 nan 8.270 nan 0.000 0.437 63 L N 0.343 121.637 121.223 0.118 0.000 2.265 63 L HA -0.025 4.316 4.340 0.002 0.000 0.215 63 L C 1.826 178.737 176.870 0.068 0.000 1.117 63 L CA 1.852 56.737 54.840 0.076 0.000 0.782 63 L CB -0.873 41.228 42.059 0.069 0.000 0.914 63 L HN 0.211 nan 8.230 nan 0.000 0.441 64 G N -1.175 107.679 108.800 0.090 0.000 2.408 64 G HA2 -0.259 3.702 3.960 0.002 0.000 0.215 64 G HA3 -0.259 3.702 3.960 0.002 0.000 0.215 64 G C 1.742 176.690 174.900 0.079 0.000 1.156 64 G CA 0.555 45.709 45.100 0.089 0.000 0.793 64 G HN 0.331 nan 8.290 nan 0.000 0.535 65 R N 0.456 120.957 120.500 0.002 0.000 2.092 65 R HA 0.045 4.386 4.340 0.002 0.000 0.231 65 R C 2.576 178.878 176.300 0.002 0.000 1.119 65 R CA 1.130 57.137 56.100 -0.154 0.000 0.970 65 R CB -0.900 28.986 30.300 -0.691 0.000 0.864 65 R HN 0.199 nan 8.270 nan 0.000 0.440 66 V N 1.475 121.385 119.914 -0.006 0.000 2.219 66 V HA -0.353 3.768 4.120 0.002 0.000 0.248 66 V C 2.475 178.575 176.094 0.009 0.000 1.053 66 V CA 2.281 64.582 62.300 0.002 0.000 1.009 66 V CB -0.543 31.283 31.823 0.005 0.000 0.636 66 V HN 0.323 nan 8.190 nan 0.000 0.445 67 R N -1.175 119.343 120.500 0.030 0.000 2.112 67 R HA -0.272 4.069 4.340 0.002 0.000 0.242 67 R C 2.008 178.322 176.300 0.024 0.000 1.137 67 R CA 2.362 58.473 56.100 0.018 0.000 0.944 67 R CB -1.228 29.100 30.300 0.047 0.000 0.857 67 R HN 0.761 nan 8.270 nan 0.000 0.435 68 W N 1.884 123.143 121.300 -0.069 0.000 2.342 68 W HA -0.191 4.471 4.660 0.002 0.000 0.297 68 W C 1.843 178.316 176.519 -0.077 0.000 1.213 68 W CA 2.005 59.339 57.345 -0.018 0.000 1.251 68 W CB -0.347 29.123 29.460 0.017 0.000 1.136 68 W HN 0.007 nan 8.180 nan 0.000 0.526 69 T N 0.435 114.923 114.554 -0.110 0.000 2.812 69 T HA -0.216 4.135 4.350 0.002 0.000 0.264 69 T C 1.518 176.029 174.700 -0.315 0.000 1.042 69 T CA 1.714 63.622 62.100 -0.320 0.000 1.140 69 T CB -0.340 68.457 68.868 -0.119 0.000 0.870 69 T HN 0.285 nan 8.240 nan 0.000 0.445 70 Q N 0.586 120.260 119.800 -0.211 0.000 2.515 70 Q HA 0.016 4.358 4.340 0.002 0.000 0.212 70 Q C 0.971 176.802 176.000 -0.282 0.000 0.970 70 Q CA 0.291 55.975 55.803 -0.199 0.000 0.941 70 Q CB -0.082 28.580 28.738 -0.126 0.000 0.998 70 Q HN 0.597 nan 8.270 nan 0.000 0.518 71 Q N 0.305 119.848 119.800 -0.429 0.000 2.465 71 Q HA -0.218 4.123 4.340 0.002 0.000 0.248 71 Q C -0.976 174.597 176.000 -0.711 0.000 0.819 71 Q CA 0.439 55.819 55.803 -0.706 0.000 1.219 71 Q CB -0.970 27.491 28.738 -0.462 0.000 1.472 71 Q HN 0.345 nan 8.270 nan 0.000 0.630 72 R N 0.840 121.104 120.500 -0.393 0.000 3.235 72 R HA 0.194 4.535 4.340 0.002 0.000 0.232 72 R C 0.571 176.816 176.300 -0.092 0.000 1.475 72 R CA -0.341 55.635 56.100 -0.207 0.000 1.405 72 R CB 0.181 30.421 30.300 -0.100 0.000 1.266 72 R HN 0.291 nan 8.270 nan 0.000 0.650 73 H N 1.199 120.302 119.070 0.055 0.000 2.389 73 H HA -0.063 4.494 4.556 0.002 0.000 0.299 73 H C 1.912 177.296 175.328 0.093 0.000 1.081 73 H CA 1.595 57.713 56.048 0.116 0.000 1.345 73 H CB 0.158 29.991 29.762 0.119 0.000 1.393 73 H HN 0.564 nan 8.280 nan 0.000 0.520 74 A N 1.258 124.184 122.820 0.177 0.000 1.873 74 A HA -0.151 4.170 4.320 0.002 0.000 0.215 74 A C 2.307 179.941 177.584 0.084 0.000 1.186 74 A CA 1.462 53.566 52.037 0.112 0.000 0.616 74 A CB -0.369 18.679 19.000 0.080 0.000 0.823 74 A HN 0.418 nan 8.150 nan 0.000 0.442 75 E N -0.060 120.178 120.200 0.065 0.000 2.118 75 E HA -0.131 4.220 4.350 0.002 0.000 0.195 75 E C 2.234 178.876 176.600 0.071 0.000 0.992 75 E CA 0.959 57.389 56.400 0.051 0.000 0.804 75 E CB -0.306 29.412 29.700 0.029 0.000 0.741 75 E HN 0.624 nan 8.360 nan 0.000 0.458 76 A N 1.449 124.332 122.820 0.106 0.000 1.902 76 A HA -0.134 4.187 4.320 0.002 0.000 0.217 76 A C 2.391 180.043 177.584 0.113 0.000 1.181 76 A CA 1.744 53.866 52.037 0.140 0.000 0.623 76 A CB -0.652 18.505 19.000 0.261 0.000 0.818 76 A HN 0.304 nan 8.150 nan 0.000 0.443 77 A N -0.663 122.222 122.820 0.107 0.000 1.898 77 A HA 0.066 4.387 4.320 0.002 0.000 0.216 77 A C 2.229 179.842 177.584 0.049 0.000 1.181 77 A CA 1.618 53.695 52.037 0.067 0.000 0.620 77 A CB -0.895 18.143 19.000 0.063 0.000 0.819 77 A HN 0.358 nan 8.150 nan 0.000 0.442 78 V N 0.155 120.100 119.914 0.051 0.000 2.255 78 V HA -0.296 3.825 4.120 0.002 0.000 0.247 78 V C 2.592 178.710 176.094 0.040 0.000 1.051 78 V CA 2.157 64.480 62.300 0.039 0.000 1.018 78 V CB -0.877 30.968 31.823 0.037 0.000 0.641 78 V HN 0.572 nan 8.190 nan 0.000 0.445 79 L N -0.864 120.389 121.223 0.049 0.000 2.012 79 L HA -0.222 4.120 4.340 0.002 0.000 0.210 79 L C 2.403 179.306 176.870 0.054 0.000 1.073 79 L CA 1.680 56.552 54.840 0.053 0.000 0.748 79 L CB -0.536 41.561 42.059 0.063 0.000 0.891 79 L HN 0.281 nan 8.230 nan 0.000 0.431 80 L N -0.944 120.315 121.223 0.060 0.000 2.093 80 L HA -0.224 4.117 4.340 0.002 0.000 0.208 80 L C 2.647 179.533 176.870 0.027 0.000 1.085 80 L CA 0.968 55.843 54.840 0.057 0.000 0.755 80 L CB -0.388 41.710 42.059 0.065 0.000 0.904 80 L HN 0.303 nan 8.230 nan 0.000 0.435 81 Q N 0.030 119.842 119.800 0.019 0.000 2.084 81 Q HA -0.268 4.073 4.340 0.002 0.000 0.202 81 Q C 2.201 178.205 176.000 0.008 0.000 0.978 81 Q CA 1.741 57.548 55.803 0.007 0.000 0.844 81 Q CB -0.096 28.647 28.738 0.008 0.000 0.898 81 Q HN 0.422 nan 8.270 nan 0.000 0.426 82 Q N -0.698 119.111 119.800 0.015 0.000 2.002 82 Q HA -0.210 4.131 4.340 0.002 0.000 0.204 82 Q C 2.018 178.022 176.000 0.007 0.000 0.988 82 Q CA 1.743 57.554 55.803 0.013 0.000 0.843 82 Q CB -0.424 28.327 28.738 0.021 0.000 0.908 82 Q HN 0.531 nan 8.270 nan 0.000 0.420 83 A N -0.043 122.785 122.820 0.014 0.000 1.948 83 A HA -0.241 4.080 4.320 0.002 0.000 0.220 83 A C 2.153 179.723 177.584 -0.024 0.000 1.177 83 A CA 2.108 54.144 52.037 -0.001 0.000 0.636 83 A CB -0.917 18.092 19.000 0.016 0.000 0.815 83 A HN 0.462 nan 8.150 nan 0.000 0.449 84 S N -0.783 114.908 115.700 -0.015 0.000 2.436 84 S HA -0.105 4.366 4.470 0.002 0.000 0.228 84 S C 1.480 176.071 174.600 -0.015 0.000 1.014 84 S CA 1.177 59.365 58.200 -0.020 0.000 0.950 84 S CB -0.436 62.755 63.200 -0.016 0.000 0.784 84 S HN 0.571 nan 8.310 nan 0.000 0.504 85 D N 1.639 122.032 120.400 -0.011 0.000 2.144 85 D HA 0.058 4.699 4.640 0.002 0.000 0.200 85 D C 1.982 178.272 176.300 -0.016 0.000 0.978 85 D CA 1.224 55.218 54.000 -0.010 0.000 0.833 85 D CB -0.427 40.369 40.800 -0.006 0.000 0.961 85 D HN 0.505 nan 8.370 nan 0.000 0.470 86 A N -0.072 122.734 122.820 -0.023 0.000 2.123 86 A HA 0.419 4.740 4.320 0.002 0.000 0.214 86 A C 1.135 178.691 177.584 -0.047 0.000 1.152 86 A CA 0.858 52.873 52.037 -0.037 0.000 0.728 86 A CB 0.280 19.254 19.000 -0.044 0.000 0.814 86 A HN 0.154 nan 8.150 nan 0.000 0.464 87 A N -0.056 122.742 122.820 -0.038 0.000 2.876 87 A HA 0.604 4.925 4.320 0.002 0.000 0.309 87 A C -2.243 175.344 177.584 0.005 0.000 1.168 87 A CA -0.832 51.192 52.037 -0.022 0.000 0.762 87 A CB 0.748 19.725 19.000 -0.038 0.000 1.262 87 A HN 0.083 nan 8.150 nan 0.000 0.435 88 P HA 0.041 nan 4.420 nan 0.000 0.245 88 P C 0.511 177.819 177.300 0.013 0.000 1.203 88 P CA 0.690 63.793 63.100 0.006 0.000 0.792 88 P CB 0.523 32.222 31.700 -0.002 0.000 0.997 89 E N -1.171 119.039 120.200 0.017 0.000 2.489 89 E HA -0.039 4.312 4.350 0.002 0.000 0.193 89 E C 0.439 177.042 176.600 0.005 0.000 1.057 89 E CA 0.202 56.603 56.400 0.003 0.000 0.866 89 E CB -0.408 29.286 29.700 -0.009 0.000 0.916 89 E HN 0.426 nan 8.360 nan 0.000 0.500 90 H N 2.804 121.838 119.070 -0.061 0.000 2.652 90 H HA 0.102 4.659 4.556 0.002 0.000 0.298 90 H C -1.735 173.533 175.328 -0.099 0.000 1.076 90 H CA -2.024 53.975 56.048 -0.081 0.000 1.360 90 H CB 1.642 31.350 29.762 -0.090 0.000 1.421 90 H HN -0.188 nan 8.280 nan 0.000 0.464 91 P HA -0.025 nan 4.420 nan 0.000 0.220 91 P C 1.396 178.671 177.300 -0.042 0.000 1.152 91 P CA 1.129 64.168 63.100 -0.102 0.000 0.812 91 P CB 0.159 31.762 31.700 -0.163 0.000 0.792 92 G N 0.116 108.910 108.800 -0.011 0.000 2.403 92 G HA2 -0.147 3.814 3.960 0.002 0.000 0.216 92 G HA3 -0.147 3.814 3.960 0.002 0.000 0.216 92 G C 1.588 176.290 174.900 -0.329 0.000 1.154 92 G CA 0.317 45.312 45.100 -0.174 0.000 0.784 92 G HN 0.203 nan 8.290 nan 0.000 0.538 93 I N 1.557 122.073 120.570 -0.089 0.000 2.179 93 I HA -0.139 4.032 4.170 0.002 0.000 0.242 93 I C 3.247 179.328 176.117 -0.060 0.000 1.088 93 I CA 1.143 62.324 61.300 -0.198 0.000 1.357 93 I CB -0.130 37.708 38.000 -0.272 0.000 1.051 93 I HN 0.212 nan 8.210 nan 0.000 0.409 94 A N 0.318 123.129 122.820 -0.015 0.000 1.933 94 A HA -0.214 4.107 4.320 0.002 0.000 0.218 94 A C 2.257 179.801 177.584 -0.068 0.000 1.175 94 A CA 1.681 53.699 52.037 -0.032 0.000 0.628 94 A CB -0.795 18.200 19.000 -0.008 0.000 0.814 94 A HN 0.419 nan 8.150 nan 0.000 0.444 95 L N -1.712 119.469 121.223 -0.070 0.000 2.027 95 L HA -0.082 4.259 4.340 0.002 0.000 0.206 95 L C 2.198 178.952 176.870 -0.195 0.000 1.074 95 L CA 1.760 56.541 54.840 -0.099 0.000 0.745 95 L CB -0.558 41.461 42.059 -0.067 0.000 0.898 95 L HN 0.527 nan 8.230 nan 0.000 0.433 96 W N -0.240 120.884 121.300 -0.294 0.000 2.363 96 W HA -0.139 4.522 4.660 0.002 0.000 0.296 96 W C 2.547 178.889 176.519 -0.296 0.000 1.212 96 W CA 1.041 58.199 57.345 -0.311 0.000 1.260 96 W CB -0.858 28.499 29.460 -0.172 0.000 1.131 96 W HN 0.218 nan 8.180 nan 0.000 0.530 97 L N 0.049 121.270 121.223 -0.004 0.000 2.046 97 L HA -0.105 4.236 4.340 0.002 0.000 0.208 97 L C 2.286 179.033 176.870 -0.205 0.000 1.077 97 L CA 2.154 56.948 54.840 -0.077 0.000 0.747 97 L CB -1.225 40.794 42.059 -0.068 0.000 0.896 97 L HN 0.062 nan 8.230 nan 0.000 0.432 98 G N -1.469 107.114 108.800 -0.363 0.000 2.440 98 G HA2 -0.294 3.667 3.960 0.002 0.000 0.218 98 G HA3 -0.294 3.667 3.960 0.002 0.000 0.218 98 G C 1.210 175.827 174.900 -0.472 0.000 1.154 98 G CA 0.983 45.635 45.100 -0.747 0.000 0.767 98 G HN 0.560 nan 8.290 nan 0.000 0.552 99 H N 0.290 119.198 119.070 -0.270 0.000 2.353 99 H HA 0.033 4.590 4.556 0.002 0.000 0.300 99 H C 2.962 178.104 175.328 -0.311 0.000 1.090 99 H CA 0.659 56.532 56.048 -0.292 0.000 1.327 99 H CB 0.166 29.593 29.762 -0.559 0.000 1.383 99 H HN 0.455 nan 8.280 nan 0.000 0.508 100 A N 0.944 123.666 122.820 -0.165 0.000 1.872 100 A HA -0.116 4.205 4.320 0.002 0.000 0.214 100 A C 2.159 179.736 177.584 -0.011 0.000 1.187 100 A CA 0.868 52.906 52.037 0.000 0.000 0.614 100 A CB -0.474 18.555 19.000 0.048 0.000 0.826 100 A HN 0.164 nan 8.150 nan 0.000 0.442 101 L N 0.371 121.550 121.223 -0.073 0.000 2.043 101 L HA -0.232 4.109 4.340 0.002 0.000 0.212 101 L C 2.452 179.281 176.870 -0.070 0.000 1.075 101 L CA 2.453 57.252 54.840 -0.069 0.000 0.752 101 L CB -1.241 40.744 42.059 -0.123 0.000 0.891 101 L HN 0.745 nan 8.230 nan 0.000 0.432 102 E N -0.679 119.426 120.200 -0.158 0.000 2.051 102 E HA -0.223 4.129 4.350 0.002 0.000 0.192 102 E C 1.539 178.101 176.600 -0.063 0.000 0.991 102 E CA 1.552 57.847 56.400 -0.175 0.000 0.799 102 E CB -0.032 29.426 29.700 -0.404 0.000 0.748 102 E HN 0.444 nan 8.360 nan 0.000 0.449 103 D N -0.019 120.308 120.400 -0.121 0.000 2.312 103 D HA -0.043 4.598 4.640 0.002 0.000 0.211 103 D C 1.333 177.515 176.300 -0.196 0.000 0.964 103 D CA 0.971 54.813 54.000 -0.263 0.000 0.877 103 D CB 0.170 40.558 40.800 -0.688 0.000 0.924 103 D HN 0.309 nan 8.370 nan 0.000 0.515 104 A N -0.052 122.737 122.820 -0.051 0.000 2.251 104 A HA 0.394 4.715 4.320 0.002 0.000 0.209 104 A C 1.735 179.360 177.584 0.069 0.000 1.187 104 A CA 0.882 52.954 52.037 0.059 0.000 0.823 104 A CB -0.146 18.908 19.000 0.090 0.000 0.846 104 A HN 0.214 nan 8.150 nan 0.000 0.486 105 G N -1.155 107.690 108.800 0.076 0.000 2.159 105 G HA2 -0.216 3.745 3.960 0.002 0.000 0.256 105 G HA3 -0.216 3.745 3.960 0.002 0.000 0.256 105 G C 0.023 174.993 174.900 0.116 0.000 0.977 105 G CA 0.239 45.404 45.100 0.108 0.000 0.652 105 G HN 0.502 nan 8.290 nan 0.000 0.531 106 Q N 0.038 119.900 119.800 0.104 0.000 2.771 106 Q HA 0.659 5.000 4.340 0.002 0.000 0.239 106 Q C 1.424 177.518 176.000 0.157 0.000 1.231 106 Q CA 0.325 56.186 55.803 0.097 0.000 1.056 106 Q CB 0.856 29.625 28.738 0.053 0.000 1.284 106 Q HN 0.555 nan 8.270 nan 0.000 0.558 107 A N 1.948 124.915 122.820 0.245 0.000 1.858 107 A HA -0.181 4.140 4.320 0.002 0.000 0.216 107 A C 1.833 179.665 177.584 0.412 0.000 1.190 107 A CA 1.147 53.458 52.037 0.456 0.000 0.617 107 A CB 0.058 19.246 19.000 0.314 0.000 0.827 107 A HN 0.401 nan 8.150 nan 0.000 0.443 108 E N -0.177 120.142 120.200 0.200 0.000 2.107 108 E HA -0.066 4.285 4.350 0.002 0.000 0.191 108 E C 2.295 178.970 176.600 0.126 0.000 0.982 108 E CA 1.117 57.604 56.400 0.145 0.000 0.809 108 E CB -0.479 29.260 29.700 0.064 0.000 0.756 108 E HN 0.568 nan 8.360 nan 0.000 0.459 109 A N 1.509 124.381 122.820 0.087 0.000 1.930 109 A HA -0.009 4.312 4.320 0.002 0.000 0.217 109 A C 2.428 179.993 177.584 -0.030 0.000 1.175 109 A CA 1.621 53.674 52.037 0.027 0.000 0.627 109 A CB -0.458 18.549 19.000 0.012 0.000 0.815 109 A HN 0.247 nan 8.150 nan 0.000 0.443 110 A N 0.188 122.990 122.820 -0.031 0.000 1.892 110 A HA 0.047 4.368 4.320 0.002 0.000 0.218 110 A C 2.512 179.933 177.584 -0.272 0.000 1.188 110 A CA 2.371 54.244 52.037 -0.273 0.000 0.631 110 A CB -1.088 17.733 19.000 -0.299 0.000 0.822 110 A HN 1.100 nan 8.150 nan 0.000 0.447 111 A N -0.342 122.590 122.820 0.187 0.000 1.902 111 A HA 0.152 4.473 4.320 0.002 0.000 0.217 111 A C 2.499 180.176 177.584 0.156 0.000 1.181 111 A CA 2.144 54.389 52.037 0.346 0.000 0.623 111 A CB -0.996 18.236 19.000 0.387 0.000 0.818 111 A HN 1.137 nan 8.150 nan 0.000 0.443 112 A N -0.286 122.574 122.820 0.068 0.000 1.972 112 A HA 0.196 4.517 4.320 0.002 0.000 0.219 112 A C 2.453 180.037 177.584 0.001 0.000 1.169 112 A CA 1.944 54.005 52.037 0.040 0.000 0.635 112 A CB -0.850 18.163 19.000 0.022 0.000 0.810 112 A HN 0.981 nan 8.150 nan 0.000 0.446 113 A N -1.096 121.665 122.820 -0.098 0.000 1.873 113 A HA -0.011 4.311 4.320 0.002 0.000 0.215 113 A C 2.060 179.591 177.584 -0.089 0.000 1.186 113 A CA 1.490 53.433 52.037 -0.158 0.000 0.616 113 A CB -0.798 18.019 19.000 -0.305 0.000 0.823 113 A HN 0.524 nan 8.150 nan 0.000 0.442 114 Y N 0.763 121.057 120.300 -0.010 0.000 2.224 114 Y HA -0.134 4.417 4.550 0.002 0.000 0.289 114 Y C 2.921 178.858 175.900 0.062 0.000 1.146 114 Y CA 1.330 59.430 58.100 0.001 0.000 1.182 114 Y CB -1.457 37.007 38.460 0.006 0.000 0.983 114 Y HN 0.252 nan 8.280 nan 0.000 0.524 115 T N -0.225 114.468 114.554 0.232 0.000 2.759 115 T HA -0.212 4.139 4.350 0.002 0.000 0.269 115 T C 2.072 176.870 174.700 0.163 0.000 1.042 115 T CA 1.654 63.871 62.100 0.195 0.000 1.140 115 T CB -0.149 68.806 68.868 0.146 0.000 0.864 115 T HN 0.280 nan 8.240 nan 0.000 0.455 116 R N 0.370 120.933 120.500 0.105 0.000 2.100 116 R HA 0.148 4.489 4.340 0.002 0.000 0.220 116 R C 2.634 178.966 176.300 0.052 0.000 1.091 116 R CA 0.937 57.073 56.100 0.060 0.000 0.986 116 R CB -0.330 29.987 30.300 0.028 0.000 0.888 116 R HN 0.333 nan 8.270 nan 0.000 0.444 117 A N 0.537 123.402 122.820 0.074 0.000 1.859 117 A HA -0.292 4.029 4.320 0.002 0.000 0.217 117 A C 1.952 179.577 177.584 0.069 0.000 1.198 117 A CA 2.083 54.157 52.037 0.062 0.000 0.629 117 A CB -1.144 17.914 19.000 0.095 0.000 0.830 117 A HN 0.630 nan 8.150 nan 0.000 0.446 118 H N -0.503 118.594 119.070 0.045 0.000 2.319 118 H HA -0.197 4.360 4.556 0.002 0.000 0.297 118 H C 2.142 177.484 175.328 0.024 0.000 1.097 118 H CA 2.434 58.503 56.048 0.035 0.000 1.285 118 H CB -0.362 29.430 29.762 0.049 0.000 1.368 118 H HN 0.588 nan 8.280 nan 0.000 0.495 119 Q N -0.441 119.285 119.800 -0.123 0.000 2.135 119 Q HA -0.128 4.213 4.340 0.002 0.000 0.204 119 Q C 2.456 178.369 176.000 -0.145 0.000 0.981 119 Q CA 1.848 57.562 55.803 -0.149 0.000 0.856 119 Q CB -0.045 28.680 28.738 -0.022 0.000 0.902 119 Q HN 0.508 nan 8.270 nan 0.000 0.425 120 L N -0.832 120.331 121.223 -0.100 0.000 2.179 120 L HA 0.003 4.344 4.340 0.002 0.000 0.208 120 L C 0.830 177.635 176.870 -0.108 0.000 1.096 120 L CA 0.523 55.309 54.840 -0.090 0.000 0.779 120 L CB 0.296 42.312 42.059 -0.071 0.000 0.922 120 L HN 0.152 nan 8.230 nan 0.000 0.443 121 L N 0.999 122.152 121.223 -0.116 0.000 2.594 121 L HA 0.226 4.567 4.340 0.002 0.000 0.245 121 L C -1.690 175.113 176.870 -0.112 0.000 1.460 121 L CA -0.938 53.845 54.840 -0.095 0.000 0.865 121 L CB 1.241 43.266 42.059 -0.057 0.000 1.131 121 L HN -0.077 nan 8.230 nan 0.000 0.506 122 P HA -0.150 nan 4.420 nan 0.000 0.226 122 P C 1.048 178.333 177.300 -0.024 0.000 1.153 122 P CA 0.794 63.759 63.100 -0.224 0.000 0.777 122 P CB 0.152 31.697 31.700 -0.259 0.000 0.794 123 E N -0.406 119.778 120.200 -0.026 0.000 2.472 123 E HA -0.103 4.248 4.350 0.002 0.000 0.200 123 E C 0.531 177.151 176.600 0.032 0.000 1.046 123 E CA 0.520 56.923 56.400 0.004 0.000 0.871 123 E CB -0.261 29.432 29.700 -0.011 0.000 0.806 123 E HN 0.118 nan 8.360 nan 0.000 0.533 124 E N 1.666 121.897 120.200 0.052 0.000 2.102 124 E HA 0.140 4.491 4.350 0.002 0.000 0.263 124 E C -1.902 174.772 176.600 0.123 0.000 0.894 124 E CA -2.869 53.580 56.400 0.082 0.000 0.746 124 E CB 1.795 31.541 29.700 0.077 0.000 1.129 124 E HN -0.034 nan 8.360 nan 0.000 0.416 125 P HA -0.147 nan 4.420 nan 0.000 0.219 125 P C 1.319 178.687 177.300 0.115 0.000 1.150 125 P CA 0.771 63.934 63.100 0.104 0.000 0.814 125 P CB 0.049 31.799 31.700 0.084 0.000 0.787 126 Y N 0.967 121.292 120.300 0.041 0.000 2.165 126 Y HA -0.170 4.381 4.550 0.002 0.000 0.286 126 Y C 2.286 178.208 175.900 0.036 0.000 1.155 126 Y CA 1.466 59.591 58.100 0.041 0.000 1.164 126 Y CB -1.021 37.468 38.460 0.048 0.000 0.978 126 Y HN -0.225 nan 8.280 nan 0.000 0.513 127 I N -0.912 119.679 120.570 0.036 0.000 2.286 127 I HA -0.288 3.884 4.170 0.002 0.000 0.245 127 I C 2.197 178.277 176.117 -0.062 0.000 1.104 127 I CA 1.650 62.929 61.300 -0.035 0.000 1.397 127 I CB -0.595 37.472 38.000 0.111 0.000 1.072 127 I HN 0.169 nan 8.210 nan 0.000 0.417 128 T N 0.792 115.361 114.554 0.025 0.000 2.720 128 T HA -0.200 4.151 4.350 0.002 0.000 0.268 128 T C 1.964 176.597 174.700 -0.111 0.000 1.037 128 T CA 1.618 63.684 62.100 -0.056 0.000 1.144 128 T CB -0.304 68.586 68.868 0.035 0.000 0.864 128 T HN 0.483 nan 8.240 nan 0.000 0.444 129 A N 0.967 123.727 122.820 -0.099 0.000 2.016 129 A HA -0.025 4.296 4.320 0.002 0.000 0.217 129 A C 2.377 179.875 177.584 -0.144 0.000 1.162 129 A CA 0.667 52.657 52.037 -0.079 0.000 0.662 129 A CB -0.297 18.684 19.000 -0.033 0.000 0.812 129 A HN 0.336 nan 8.150 nan 0.000 0.450 130 Q N -0.687 118.929 119.800 -0.306 0.000 2.050 130 Q HA -0.165 4.176 4.340 0.002 0.000 0.202 130 Q C 2.107 177.919 176.000 -0.313 0.000 0.980 130 Q CA 1.413 56.969 55.803 -0.412 0.000 0.840 130 Q CB -0.631 27.686 28.738 -0.701 0.000 0.898 130 Q HN 0.574 nan 8.270 nan 0.000 0.424 131 L N 0.941 122.018 121.223 -0.243 0.000 2.012 131 L HA -0.182 4.159 4.340 0.002 0.000 0.210 131 L C 2.237 179.127 176.870 0.033 0.000 1.073 131 L CA 1.414 56.219 54.840 -0.057 0.000 0.748 131 L CB -0.928 41.088 42.059 -0.071 0.000 0.891 131 L HN 0.199 nan 8.230 nan 0.000 0.431 132 L N 0.046 121.258 121.223 -0.018 0.000 1.994 132 L HA -0.258 4.083 4.340 0.002 0.000 0.208 132 L C 2.363 179.285 176.870 0.088 0.000 1.071 132 L CA 2.211 57.069 54.840 0.028 0.000 0.745 132 L CB -1.232 40.831 42.059 0.008 0.000 0.892 132 L HN 0.564 nan 8.230 nan 0.000 0.431 133 N N -1.060 117.695 118.700 0.091 0.000 2.104 133 N HA -0.291 4.450 4.740 0.002 0.000 0.190 133 N C 1.981 177.636 175.510 0.240 0.000 1.024 133 N CA 1.815 54.953 53.050 0.147 0.000 0.853 133 N CB -0.390 38.184 38.487 0.144 0.000 1.008 133 N HN 0.651 nan 8.380 nan 0.000 0.424 134 W N 1.961 123.282 121.300 0.036 0.000 2.409 134 W HA -0.047 4.614 4.660 0.002 0.000 0.299 134 W C 2.180 178.772 176.519 0.122 0.000 1.203 134 W CA 0.525 57.935 57.345 0.108 0.000 1.298 134 W CB -0.069 29.495 29.460 0.174 0.000 1.127 134 W HN 0.124 nan 8.180 nan 0.000 0.528 135 R N 0.165 120.775 120.500 0.183 0.000 2.113 135 R HA -0.213 4.128 4.340 0.002 0.000 0.244 135 R C 2.171 178.518 176.300 0.078 0.000 1.142 135 R CA 1.678 57.834 56.100 0.094 0.000 0.953 135 R CB -0.742 29.631 30.300 0.122 0.000 0.860 135 R HN 0.244 nan 8.270 nan 0.000 0.438 136 R N 0.278 120.859 120.500 0.134 0.000 2.096 136 R HA -0.078 4.263 4.340 0.002 0.000 0.235 136 R C 2.401 178.779 176.300 0.129 0.000 1.127 136 R CA 1.186 57.402 56.100 0.194 0.000 0.968 136 R CB -0.222 30.203 30.300 0.208 0.000 0.861 136 R HN 0.250 nan 8.270 nan 0.000 0.440 137 R N 0.498 121.013 120.500 0.026 0.000 2.096 137 R HA -0.047 4.294 4.340 0.002 0.000 0.235 137 R C 1.894 178.066 176.300 -0.214 0.000 1.127 137 R CA 0.984 57.034 56.100 -0.083 0.000 0.968 137 R CB -0.143 29.952 30.300 -0.341 0.000 0.861 137 R HN 0.229 nan 8.270 nan 0.000 0.440 138 L N -0.053 121.002 121.223 -0.280 0.000 2.612 138 L HA 0.066 4.407 4.340 0.002 0.000 0.230 138 L C 0.429 177.166 176.870 -0.222 0.000 1.140 138 L CA -0.266 54.421 54.840 -0.255 0.000 0.896 138 L CB -0.173 41.732 42.059 -0.257 0.000 1.065 138 L HN 0.308 nan 8.230 nan 0.000 0.447 139 C N 1.204 120.392 119.300 -0.187 0.000 4.268 139 C HA -0.182 4.279 4.460 0.002 0.000 0.299 139 C C 0.746 175.272 174.990 -0.774 0.000 1.429 139 C CA 0.470 59.226 59.018 -0.436 0.000 2.018 139 C CB -2.436 25.034 27.740 -0.450 0.000 1.277 139 C HN 0.601 nan 8.230 nan 0.000 0.767 140 D N -0.364 119.816 120.400 -0.366 0.000 2.412 140 D HA 0.337 4.978 4.640 0.002 0.000 0.224 140 D C 0.294 176.584 176.300 -0.016 0.000 1.093 140 D CA -0.409 53.449 54.000 -0.237 0.000 0.850 140 D CB 0.338 41.087 40.800 -0.085 0.000 1.046 140 D HN 0.496 nan 8.370 nan 0.000 0.507 141 W N 3.807 125.080 121.300 -0.045 0.000 3.067 141 W HA 0.265 4.926 4.660 0.002 0.000 0.417 141 W C 0.421 176.927 176.519 -0.023 0.000 1.029 141 W CA -0.758 56.554 57.345 -0.055 0.000 1.992 141 W CB -0.531 28.862 29.460 -0.113 0.000 1.122 141 W HN 0.153 nan 8.180 nan 0.000 0.681 142 R N 1.143 121.740 120.500 0.163 0.000 2.449 142 R HA 0.258 4.599 4.340 0.002 0.000 0.296 142 R C 1.237 177.597 176.300 0.100 0.000 1.047 142 R CA 0.849 57.018 56.100 0.115 0.000 1.018 142 R CB 0.506 30.855 30.300 0.081 0.000 0.962 142 R HN 0.103 nan 8.270 nan 0.000 0.428 143 A N 2.599 125.471 122.820 0.087 0.000 2.847 143 A HA -0.210 4.111 4.320 0.002 0.000 0.263 143 A C 1.164 178.779 177.584 0.052 0.000 1.391 143 A CA 0.831 52.907 52.037 0.066 0.000 0.866 143 A CB -1.527 17.511 19.000 0.063 0.000 1.057 143 A HN 0.702 nan 8.150 nan 0.000 0.673 144 L N 0.194 121.456 121.223 0.065 0.000 1.971 144 L HA -0.165 4.176 4.340 0.002 0.000 0.215 144 L C 1.959 178.827 176.870 -0.003 0.000 1.072 144 L CA 3.079 57.940 54.840 0.035 0.000 0.758 144 L CB -0.596 41.469 42.059 0.009 0.000 0.889 144 L HN 0.520 nan 8.230 nan 0.000 0.433 145 D N -1.187 119.208 120.400 -0.009 0.000 2.117 145 D HA -0.154 4.487 4.640 0.002 0.000 0.197 145 D C 2.363 178.664 176.300 0.002 0.000 0.987 145 D CA 1.424 55.414 54.000 -0.016 0.000 0.829 145 D CB -0.304 40.487 40.800 -0.015 0.000 0.961 145 D HN 0.231 nan 8.370 nan 0.000 0.460 146 V N 0.744 120.669 119.914 0.018 0.000 2.287 146 V HA -0.239 3.882 4.120 0.002 0.000 0.248 146 V C 2.557 178.666 176.094 0.025 0.000 1.053 146 V CA 1.342 63.660 62.300 0.029 0.000 1.027 146 V CB -0.435 31.415 31.823 0.044 0.000 0.646 146 V HN 0.224 nan 8.190 nan 0.000 0.447 147 L N -0.559 120.670 121.223 0.009 0.000 2.093 147 L HA -0.124 4.217 4.340 0.002 0.000 0.208 147 L C 2.685 179.559 176.870 0.007 0.000 1.085 147 L CA 1.614 56.446 54.840 -0.014 0.000 0.755 147 L CB -0.615 41.413 42.059 -0.052 0.000 0.904 147 L HN 0.346 nan 8.230 nan 0.000 0.435 148 S N -0.179 115.524 115.700 0.006 0.000 2.368 148 S HA -0.195 4.277 4.470 0.002 0.000 0.225 148 S C 2.157 176.779 174.600 0.036 0.000 1.030 148 S CA 1.300 59.506 58.200 0.010 0.000 0.999 148 S CB -0.086 63.096 63.200 -0.029 0.000 0.844 148 S HN 0.443 nan 8.310 nan 0.000 0.459 149 A N 0.918 123.754 122.820 0.027 0.000 1.902 149 A HA -0.154 4.167 4.320 0.002 0.000 0.217 149 A C 2.136 179.752 177.584 0.052 0.000 1.181 149 A CA 1.668 53.727 52.037 0.037 0.000 0.623 149 A CB -0.755 18.262 19.000 0.027 0.000 0.818 149 A HN 0.709 nan 8.150 nan 0.000 0.443 150 Q N -0.595 119.235 119.800 0.051 0.000 2.124 150 Q HA -0.107 4.234 4.340 0.002 0.000 0.202 150 Q C 2.154 178.191 176.000 0.062 0.000 0.977 150 Q CA 1.589 57.425 55.803 0.056 0.000 0.850 150 Q CB -0.335 28.440 28.738 0.062 0.000 0.901 150 Q HN 0.508 nan 8.270 nan 0.000 0.429 151 V N 0.832 120.794 119.914 0.080 0.000 2.358 151 V HA -0.238 3.883 4.120 0.002 0.000 0.246 151 V C 2.160 178.335 176.094 0.135 0.000 1.047 151 V CA 1.675 64.041 62.300 0.110 0.000 1.035 151 V CB -0.433 31.485 31.823 0.158 0.000 0.658 151 V HN 0.274 nan 8.190 nan 0.000 0.452 152 R N 0.060 120.677 120.500 0.194 0.000 2.096 152 R HA -0.106 4.235 4.340 0.002 0.000 0.235 152 R C 2.391 178.730 176.300 0.064 0.000 1.127 152 R CA 1.425 57.645 56.100 0.201 0.000 0.968 152 R CB -0.522 29.901 30.300 0.205 0.000 0.861 152 R HN 0.540 nan 8.270 nan 0.000 0.440 153 A N 1.004 123.853 122.820 0.048 0.000 1.930 153 A HA -0.069 4.252 4.320 0.002 0.000 0.217 153 A C 2.328 179.913 177.584 0.001 0.000 1.175 153 A CA 1.517 53.568 52.037 0.022 0.000 0.627 153 A CB -0.542 18.475 19.000 0.027 0.000 0.815 153 A HN 0.387 nan 8.150 nan 0.000 0.443 154 A N -0.360 122.461 122.820 0.001 0.000 1.902 154 A HA -0.005 4.316 4.320 0.002 0.000 0.217 154 A C 2.221 179.767 177.584 -0.062 0.000 1.181 154 A CA 1.772 53.800 52.037 -0.016 0.000 0.623 154 A CB -1.013 17.988 19.000 0.002 0.000 0.818 154 A HN 0.378 nan 8.150 nan 0.000 0.443 155 V N 0.056 119.892 119.914 -0.129 0.000 2.231 155 V HA -0.333 3.788 4.120 0.002 0.000 0.248 155 V C 3.072 179.094 176.094 -0.119 0.000 1.054 155 V CA 2.225 64.400 62.300 -0.209 0.000 1.015 155 V CB -1.420 30.143 31.823 -0.433 0.000 0.638 155 V HN 0.631 nan 8.190 nan 0.000 0.444 156 A N -1.127 121.649 122.820 -0.074 0.000 1.986 156 A HA -0.302 4.019 4.320 0.002 0.000 0.220 156 A C 2.117 179.682 177.584 -0.032 0.000 1.171 156 A CA 2.011 54.024 52.037 -0.039 0.000 0.640 156 A CB -0.506 18.485 19.000 -0.014 0.000 0.811 156 A HN 0.689 nan 8.150 nan 0.000 0.451 157 Q N -1.946 117.836 119.800 -0.030 0.000 2.451 157 Q HA 0.188 4.529 4.340 0.002 0.000 0.206 157 Q C 1.185 177.170 176.000 -0.025 0.000 0.947 157 Q CA 0.421 56.212 55.803 -0.020 0.000 0.937 157 Q CB 0.024 28.756 28.738 -0.010 0.000 1.025 157 Q HN 0.929 nan 8.270 nan 0.000 0.511 158 G N 0.928 109.704 108.800 -0.039 0.000 2.148 158 G HA2 -0.331 3.630 3.960 0.002 0.000 0.254 158 G HA3 -0.331 3.630 3.960 0.002 0.000 0.254 158 G C 0.880 175.762 174.900 -0.030 0.000 0.981 158 G CA 0.505 45.581 45.100 -0.039 0.000 0.670 158 G HN 0.368 nan 8.290 nan 0.000 0.528 159 V N -2.448 117.451 119.914 -0.025 0.000 2.233 159 V HA 0.331 4.452 4.120 0.002 0.000 0.247 159 V C 2.435 178.522 176.094 -0.011 0.000 1.050 159 V CA 2.660 64.953 62.300 -0.011 0.000 1.010 159 V CB -0.900 30.924 31.823 0.002 0.000 0.637 159 V HN 2.368 nan 8.190 nan 0.000 0.444 160 G N -0.911 107.877 108.800 -0.020 0.000 2.138 160 G HA2 -0.002 3.959 3.960 0.002 0.000 0.193 160 G HA3 -0.002 3.959 3.960 0.002 0.000 0.193 160 G C 0.732 175.646 174.900 0.023 0.000 0.998 160 G CA 0.399 45.491 45.100 -0.012 0.000 0.668 160 G HN 1.536 nan 8.290 nan 0.000 0.516 161 A N -0.708 122.135 122.820 0.038 0.000 2.218 161 A HA 0.626 4.947 4.320 0.002 0.000 0.209 161 A C 1.378 179.054 177.584 0.152 0.000 1.168 161 A CA 1.433 53.541 52.037 0.119 0.000 0.804 161 A CB 0.134 19.210 19.000 0.125 0.000 0.834 161 A HN 1.898 nan 8.150 nan 0.000 0.482 162 V N -0.614 119.335 119.914 0.058 0.000 2.532 162 V HA 0.611 4.732 4.120 0.002 0.000 0.295 162 V C -0.476 175.674 176.094 0.092 0.000 1.041 162 V CA -0.849 61.487 62.300 0.061 0.000 0.926 162 V CB 1.541 33.364 31.823 -0.001 0.000 0.992 162 V HN 0.301 nan 8.190 nan 0.000 0.457 163 E N 6.424 126.722 120.200 0.162 0.000 2.290 163 E HA 0.370 4.721 4.350 0.002 0.000 0.277 163 E C -1.952 174.817 176.600 0.281 0.000 1.035 163 E CA -1.756 54.784 56.400 0.234 0.000 0.873 163 E CB 1.590 31.474 29.700 0.306 0.000 1.029 163 E HN 0.593 nan 8.360 nan 0.000 0.419 164 P HA -0.192 nan 4.420 nan 0.000 0.215 164 P C 0.943 178.511 177.300 0.446 0.000 1.163 164 P CA 1.142 64.425 63.100 0.304 0.000 0.894 164 P CB -0.101 31.718 31.700 0.198 0.000 0.791 165 F N 0.518 120.712 119.950 0.406 0.000 2.095 165 F HA -0.229 4.299 4.527 0.002 0.000 0.298 165 F C 2.179 178.089 175.800 0.183 0.000 1.104 165 F CA 1.834 60.042 58.000 0.346 0.000 1.232 165 F CB -0.859 38.264 39.000 0.205 0.000 0.987 165 F HN -0.139 nan 8.300 nan 0.000 0.475 166 A N -0.668 122.385 122.820 0.387 0.000 2.015 166 A HA -0.194 4.127 4.320 0.002 0.000 0.219 166 A C 2.054 179.707 177.584 0.115 0.000 1.163 166 A CA 1.293 53.458 52.037 0.214 0.000 0.646 166 A CB -1.470 17.674 19.000 0.239 0.000 0.806 166 A HN 0.501 nan 8.150 nan 0.000 0.448 167 F N 0.682 120.635 119.950 0.004 0.000 2.234 167 F HA -0.075 4.453 4.527 0.002 0.000 0.299 167 F C 1.800 177.516 175.800 -0.140 0.000 1.087 167 F CA 1.114 59.087 58.000 -0.045 0.000 1.340 167 F CB -0.270 38.722 39.000 -0.014 0.000 1.031 167 F HN 0.147 nan 8.300 nan 0.000 0.500 168 L N -0.936 120.131 121.223 -0.260 0.000 2.263 168 L HA -0.279 4.062 4.340 0.002 0.000 0.216 168 L C 2.311 178.930 176.870 -0.418 0.000 1.111 168 L CA 1.283 55.811 54.840 -0.520 0.000 0.773 168 L CB -1.002 40.491 42.059 -0.945 0.000 0.906 168 L HN 0.027 nan 8.230 nan 0.000 0.439 169 S N -1.366 114.201 115.700 -0.221 0.000 2.453 169 S HA -0.022 4.449 4.470 0.002 0.000 0.231 169 S C 0.777 175.257 174.600 -0.200 0.000 1.005 169 S CA 0.527 58.690 58.200 -0.061 0.000 0.949 169 S CB -0.127 63.105 63.200 0.053 0.000 0.774 169 S HN 0.337 nan 8.310 nan 0.000 0.510 170 E N 2.597 122.566 120.200 -0.386 0.000 2.349 170 E HA 0.180 4.531 4.350 0.002 0.000 0.265 170 E C -0.702 175.646 176.600 -0.419 0.000 1.064 170 E CA -0.510 55.633 56.400 -0.428 0.000 0.886 170 E CB 0.383 29.678 29.700 -0.674 0.000 1.036 170 E HN 0.294 nan 8.360 nan 0.000 0.413 171 D N -0.129 120.084 120.400 -0.312 0.000 2.441 171 D HA 0.474 5.115 4.640 0.002 0.000 0.221 171 D C -0.759 175.397 176.300 -0.240 0.000 1.156 171 D CA -0.694 53.138 54.000 -0.279 0.000 0.896 171 D CB 0.746 41.416 40.800 -0.217 0.000 1.028 171 D HN 0.390 nan 8.370 nan 0.000 0.509 172 A N 1.833 124.486 122.820 -0.279 0.000 2.515 172 A HA 0.729 5.050 4.320 0.002 0.000 0.296 172 A C 0.165 177.645 177.584 -0.173 0.000 1.094 172 A CA -0.740 51.177 52.037 -0.200 0.000 0.718 172 A CB 1.372 20.206 19.000 -0.277 0.000 1.307 172 A HN 0.571 nan 8.150 nan 0.000 0.408 173 S N 0.317 115.936 115.700 -0.135 0.000 2.641 173 S HA 0.517 4.988 4.470 0.002 0.000 0.261 173 S C 1.314 175.760 174.600 -0.257 0.000 1.257 173 S CA 0.165 58.244 58.200 -0.202 0.000 0.983 173 S CB 0.949 64.018 63.200 -0.218 0.000 0.990 173 S HN 1.954 nan 8.310 nan 0.000 0.572 174 A N 0.551 123.117 122.820 -0.423 0.000 2.019 174 A HA 0.208 4.529 4.320 0.002 0.000 0.219 174 A C 2.297 179.605 177.584 -0.460 0.000 1.164 174 A CA 1.605 53.367 52.037 -0.458 0.000 0.644 174 A CB -1.595 17.056 19.000 -0.581 0.000 0.805 174 A HN 1.256 nan 8.150 nan 0.000 0.449 175 A N -0.190 122.279 122.820 -0.584 0.000 1.897 175 A HA -0.109 4.212 4.320 0.002 0.000 0.215 175 A C 1.918 179.467 177.584 -0.057 0.000 1.181 175 A CA 1.474 53.381 52.037 -0.217 0.000 0.620 175 A CB -0.428 18.500 19.000 -0.120 0.000 0.821 175 A HN 0.592 nan 8.150 nan 0.000 0.443 176 E N -0.300 119.874 120.200 -0.043 0.000 2.106 176 E HA -0.213 4.138 4.350 0.002 0.000 0.192 176 E C 2.298 178.958 176.600 0.101 0.000 0.984 176 E CA 1.262 57.699 56.400 0.062 0.000 0.806 176 E CB -0.174 29.640 29.700 0.190 0.000 0.750 176 E HN 0.702 nan 8.360 nan 0.000 0.458 177 Q N 0.286 120.156 119.800 0.116 0.000 2.061 177 Q HA -0.198 4.143 4.340 0.002 0.000 0.204 177 Q C 2.362 178.363 176.000 0.002 0.000 0.984 177 Q CA 1.078 56.955 55.803 0.123 0.000 0.846 177 Q CB -0.185 28.559 28.738 0.010 0.000 0.902 177 Q HN 0.203 nan 8.270 nan 0.000 0.421 178 L N 0.705 121.901 121.223 -0.046 0.000 2.046 178 L HA -0.113 4.228 4.340 0.002 0.000 0.208 178 L C 2.167 179.003 176.870 -0.058 0.000 1.077 178 L CA 2.105 56.910 54.840 -0.059 0.000 0.747 178 L CB -0.839 41.217 42.059 -0.006 0.000 0.896 178 L HN 0.116 nan 8.230 nan 0.000 0.432 179 A N -1.122 121.668 122.820 -0.051 0.000 1.902 179 A HA -0.291 4.030 4.320 0.002 0.000 0.217 179 A C 2.572 180.083 177.584 -0.122 0.000 1.181 179 A CA 1.804 53.797 52.037 -0.074 0.000 0.623 179 A CB -1.646 17.314 19.000 -0.067 0.000 0.818 179 A HN 0.716 nan 8.150 nan 0.000 0.443 180 C N -0.686 118.506 119.300 -0.181 0.000 2.432 180 C HA 0.114 4.575 4.460 0.002 0.000 0.277 180 C C 3.127 178.042 174.990 -0.125 0.000 1.249 180 C CA 1.292 60.161 59.018 -0.249 0.000 1.725 180 C CB -1.363 26.081 27.740 -0.493 0.000 2.028 180 C HN 0.686 nan 8.230 nan 0.000 0.477 181 A N 1.814 124.586 122.820 -0.079 0.000 1.883 181 A HA -0.194 4.127 4.320 0.002 0.000 0.217 181 A C 2.197 179.719 177.584 -0.103 0.000 1.186 181 A CA 2.340 54.335 52.037 -0.070 0.000 0.624 181 A CB -0.721 18.239 19.000 -0.066 0.000 0.822 181 A HN 0.838 nan 8.150 nan 0.000 0.444 182 R N 0.104 120.537 120.500 -0.112 0.000 2.119 182 R HA -0.050 4.291 4.340 0.002 0.000 0.222 182 R C 1.935 178.177 176.300 -0.097 0.000 1.088 182 R CA 2.178 58.201 56.100 -0.127 0.000 0.984 182 R CB -1.775 28.456 30.300 -0.116 0.000 0.884 182 R HN 0.473 nan 8.270 nan 0.000 0.447 183 T N -1.449 113.057 114.554 -0.079 0.000 2.777 183 T HA -0.107 4.244 4.350 0.002 0.000 0.266 183 T C 1.994 176.671 174.700 -0.038 0.000 1.040 183 T CA 1.082 63.148 62.100 -0.058 0.000 1.141 183 T CB -0.251 68.579 68.868 -0.063 0.000 0.868 183 T HN 0.251 nan 8.240 nan 0.000 0.444 184 R N 2.500 122.979 120.500 -0.035 0.000 2.070 184 R HA 0.203 4.544 4.340 0.002 0.000 0.232 184 R C 2.688 179.008 176.300 0.032 0.000 1.138 184 R CA 2.020 58.122 56.100 0.004 0.000 0.936 184 R CB -1.437 28.874 30.300 0.018 0.000 0.839 184 R HN 0.456 nan 8.270 nan 0.000 0.429 185 A N 0.441 123.256 122.820 -0.009 0.000 1.917 185 A HA -0.253 4.068 4.320 0.002 0.000 0.219 185 A C 2.137 179.736 177.584 0.025 0.000 1.182 185 A CA 1.956 53.980 52.037 -0.022 0.000 0.633 185 A CB -0.611 18.159 19.000 -0.383 0.000 0.819 185 A HN 0.625 nan 8.150 nan 0.000 0.448 186 Q N -0.908 118.874 119.800 -0.030 0.000 2.230 186 Q HA 0.062 4.403 4.340 0.002 0.000 0.202 186 Q C 2.382 178.408 176.000 0.042 0.000 0.963 186 Q CA 0.881 56.684 55.803 0.001 0.000 0.866 186 Q CB -0.349 28.369 28.738 -0.033 0.000 0.931 186 Q HN 0.694 nan 8.270 nan 0.000 0.452 187 A N 1.191 124.033 122.820 0.037 0.000 1.883 187 A HA -0.214 4.107 4.320 0.002 0.000 0.217 187 A C 2.039 179.660 177.584 0.062 0.000 1.186 187 A CA 1.369 53.429 52.037 0.038 0.000 0.624 187 A CB -0.647 18.368 19.000 0.026 0.000 0.822 187 A HN 0.296 nan 8.150 nan 0.000 0.444 188 I N -0.199 120.437 120.570 0.111 0.000 2.142 188 I HA -0.269 3.902 4.170 0.002 0.000 0.240 188 I C 2.967 179.166 176.117 0.135 0.000 1.078 188 I CA 1.247 62.617 61.300 0.116 0.000 1.343 188 I CB -0.389 37.716 38.000 0.176 0.000 1.046 188 I HN 0.328 nan 8.210 nan 0.000 0.405 189 A N 0.651 123.627 122.820 0.260 0.000 1.933 189 A HA -0.162 4.159 4.320 0.002 0.000 0.218 189 A C 2.506 180.157 177.584 0.111 0.000 1.175 189 A CA 1.792 53.977 52.037 0.247 0.000 0.628 189 A CB -0.922 18.255 19.000 0.295 0.000 0.814 189 A HN 0.447 nan 8.150 nan 0.000 0.444 190 A N 0.025 122.892 122.820 0.079 0.000 2.024 190 A HA -0.047 4.274 4.320 0.002 0.000 0.220 190 A C 2.189 179.789 177.584 0.027 0.000 1.164 190 A CA 2.071 54.133 52.037 0.042 0.000 0.643 190 A CB -0.601 18.416 19.000 0.029 0.000 0.806 190 A HN 1.115 nan 8.150 nan 0.000 0.451 191 S N -1.688 114.026 115.700 0.023 0.000 2.568 191 S HA 0.436 4.907 4.470 0.002 0.000 0.232 191 S C -0.155 174.440 174.600 -0.009 0.000 0.975 191 S CA -0.204 57.998 58.200 0.004 0.000 0.949 191 S CB 0.083 63.282 63.200 -0.002 0.000 0.829 191 S HN 0.079 nan 8.310 nan 0.000 0.479 192 V N 2.734 122.644 119.914 -0.006 0.000 2.407 192 V HA 0.504 4.625 4.120 0.002 0.000 0.291 192 V C -0.731 175.354 176.094 -0.014 0.000 1.018 192 V CA -0.882 61.400 62.300 -0.030 0.000 0.842 192 V CB 1.416 33.196 31.823 -0.072 0.000 0.996 192 V HN 0.302 nan 8.190 nan 0.000 0.426 193 R N 5.464 125.952 120.500 -0.019 0.000 2.242 193 R HA 0.453 4.794 4.340 0.002 0.000 0.334 193 R C -2.500 173.786 176.300 -0.024 0.000 1.071 193 R CA -1.464 54.628 56.100 -0.013 0.000 0.922 193 R CB -0.318 29.975 30.300 -0.013 0.000 1.023 193 R HN 0.406 nan 8.270 nan 0.000 0.458 194 P HA -0.012 nan 4.420 nan 0.000 0.271 194 P C -0.136 177.146 177.300 -0.030 0.000 1.233 194 P CA -0.300 62.784 63.100 -0.026 0.000 0.789 194 P CB 0.558 32.258 31.700 0.000 0.000 0.951 195 L N 0.382 121.580 121.223 -0.043 0.000 2.473 195 L HA 0.212 4.553 4.340 0.002 0.000 0.268 195 L C 1.042 177.896 176.870 -0.026 0.000 1.215 195 L CA -0.683 54.134 54.840 -0.039 0.000 0.823 195 L CB -0.145 41.881 42.059 -0.054 0.000 1.099 195 L HN 0.436 nan 8.230 nan 0.000 0.483 196 A N 3.125 125.932 122.820 -0.021 0.000 2.561 196 A HA 0.308 4.629 4.320 0.002 0.000 0.234 196 A C -2.143 175.432 177.584 -0.015 0.000 1.055 196 A CA -0.786 51.242 52.037 -0.014 0.000 0.756 196 A CB -0.761 18.232 19.000 -0.012 0.000 0.986 196 A HN 0.475 nan 8.150 nan 0.000 0.505 197 P HA 0.425 nan 4.420 nan 0.000 0.274 197 P C 0.080 177.376 177.300 -0.007 0.000 1.231 197 P CA -0.124 62.974 63.100 -0.004 0.000 0.790 197 P CB 1.178 32.882 31.700 0.007 0.000 0.951 198 T N -0.167 114.381 114.554 -0.009 0.000 2.645 198 T HA 0.731 5.082 4.350 0.002 0.000 0.273 198 T C -1.107 173.594 174.700 0.002 0.000 0.960 198 T CA -0.803 61.291 62.100 -0.010 0.000 1.051 198 T CB 1.018 69.870 68.868 -0.026 0.000 1.366 198 T HN 0.624 nan 8.240 nan 0.000 0.536 199 R N 0.039 120.542 120.500 0.005 0.000 2.774 199 R HA 0.730 5.071 4.340 0.002 0.000 0.272 199 R C -1.468 174.844 176.300 0.020 0.000 1.000 199 R CA -0.826 55.288 56.100 0.024 0.000 0.906 199 R CB 0.836 31.160 30.300 0.041 0.000 1.227 199 R HN 0.392 nan 8.270 nan 0.000 0.468 200 V N 3.471 123.406 119.914 0.035 0.000 2.694 200 V HA 0.003 4.124 4.120 0.002 0.000 0.306 200 V C 0.924 177.065 176.094 0.078 0.000 1.054 200 V CA 0.097 62.418 62.300 0.035 0.000 1.161 200 V CB -0.036 31.824 31.823 0.061 0.000 0.916 200 V HN 0.799 nan 8.190 nan 0.000 0.490 201 R N 3.758 124.302 120.500 0.074 0.000 2.811 201 R HA 0.125 4.466 4.340 0.002 0.000 0.265 201 R C 0.768 177.207 176.300 0.232 0.000 1.026 201 R CA 0.088 56.263 56.100 0.125 0.000 1.142 201 R CB 0.062 30.431 30.300 0.116 0.000 1.027 201 R HN 0.566 nan 8.270 nan 0.000 0.465 202 S N -0.050 115.755 115.700 0.176 0.000 2.456 202 S HA 0.096 4.567 4.470 0.002 0.000 0.224 202 S C 0.091 174.761 174.600 0.117 0.000 1.035 202 S CA 0.568 58.854 58.200 0.144 0.000 0.940 202 S CB 0.253 63.490 63.200 0.063 0.000 0.799 202 S HN 0.416 nan 8.310 nan 0.000 0.508 203 K N 0.407 120.893 120.400 0.143 0.000 2.477 203 K HA 0.621 4.942 4.320 0.002 0.000 0.255 203 K C -0.054 176.664 176.600 0.197 0.000 0.952 203 K CA -0.078 56.268 56.287 0.098 0.000 0.826 203 K CB 1.789 34.312 32.500 0.039 0.000 1.331 203 K HN 0.319 nan 8.250 nan 0.000 0.437 204 G N 1.998 110.925 108.800 0.212 0.000 2.612 204 G HA2 -0.121 3.840 3.960 0.002 0.000 0.686 204 G HA3 -0.121 3.840 3.960 0.002 0.000 0.686 204 G C -3.016 172.098 174.900 0.357 0.000 1.274 204 G CA -1.264 43.971 45.100 0.225 0.000 0.849 204 G HN 0.309 nan 8.290 nan 0.000 0.595 205 P HA 0.198 nan 4.420 nan 0.000 0.264 205 P C 0.624 177.990 177.300 0.109 0.000 1.183 205 P CA -0.292 62.940 63.100 0.220 0.000 0.763 205 P CB 0.468 32.256 31.700 0.147 0.000 0.807 206 L N 4.645 125.810 121.223 -0.097 0.000 2.410 206 L HA 0.137 4.478 4.340 0.002 0.000 0.273 206 L C 0.712 177.488 176.870 -0.156 0.000 1.152 206 L CA 0.020 54.600 54.840 -0.433 0.000 0.855 206 L CB 0.197 41.688 42.059 -0.946 0.000 1.129 206 L HN 0.357 nan 8.230 nan 0.000 0.463 207 R N 4.298 124.727 120.500 -0.118 0.000 2.207 207 R HA 0.418 4.759 4.340 0.002 0.000 0.334 207 R C -1.064 175.233 176.300 -0.005 0.000 1.013 207 R CA -0.586 55.502 56.100 -0.020 0.000 0.858 207 R CB 1.487 31.723 30.300 -0.106 0.000 1.094 207 R HN 0.355 nan 8.270 nan 0.000 0.457 208 V N 2.533 122.523 119.914 0.127 0.000 2.378 208 V HA 0.491 4.612 4.120 0.002 0.000 0.288 208 V C 0.553 176.782 176.094 0.225 0.000 1.016 208 V CA -0.804 61.575 62.300 0.131 0.000 0.840 208 V CB 1.677 33.602 31.823 0.171 0.000 0.994 208 V HN 0.929 nan 8.190 nan 0.000 0.431 209 G N 3.117 112.007 108.800 0.151 0.000 2.417 209 G HA2 0.782 4.743 3.960 0.002 0.000 0.334 209 G HA3 0.782 4.743 3.960 0.002 0.000 0.334 209 G C -1.477 173.520 174.900 0.161 0.000 1.150 209 G CA -0.447 44.892 45.100 0.397 0.000 0.923 209 G HN 0.417 nan 8.290 nan 0.000 0.485 210 F N 0.244 120.607 119.950 0.688 0.000 2.557 210 F HA 0.427 4.955 4.527 0.002 0.000 0.316 210 F C -0.157 176.130 175.800 0.811 0.000 1.141 210 F CA -0.811 57.644 58.000 0.758 0.000 0.922 210 F CB 2.773 42.211 39.000 0.729 0.000 1.194 210 F HN 0.250 nan 8.300 nan 0.000 0.443 211 V N 2.524 122.956 119.914 0.864 0.000 2.398 211 V HA 0.737 4.858 4.120 0.002 0.000 0.286 211 V C -0.383 175.981 176.094 0.450 0.000 1.026 211 V CA -0.302 62.412 62.300 0.690 0.000 0.868 211 V CB 1.527 33.707 31.823 0.596 0.000 0.982 211 V HN 0.781 nan 8.190 nan 0.000 0.443 212 S N 2.861 118.670 115.700 0.181 0.000 2.547 212 S HA 0.351 4.822 4.470 0.002 0.000 0.270 212 S C 0.304 174.723 174.600 -0.302 0.000 1.150 212 S CA -0.405 57.606 58.200 -0.314 0.000 0.850 212 S CB 1.522 64.090 63.200 -1.054 0.000 1.118 212 S HN 0.937 nan 8.310 nan 0.000 0.461 213 N N 1.264 119.818 118.700 -0.244 0.000 2.270 213 N HA 0.199 4.940 4.740 0.002 0.000 0.198 213 N C 0.858 176.142 175.510 -0.376 0.000 1.117 213 N CA -0.146 52.784 53.050 -0.201 0.000 0.845 213 N CB 0.328 38.772 38.487 -0.072 0.000 0.980 213 N HN 0.473 nan 8.380 nan 0.000 0.486 214 G N 0.054 108.487 108.800 -0.611 0.000 3.774 214 G HA2 0.175 4.136 3.960 0.002 0.000 0.287 214 G HA3 0.175 4.136 3.960 0.002 0.000 0.287 214 G C -0.643 174.137 174.900 -0.201 0.000 1.030 214 G CA -0.444 44.248 45.100 -0.680 0.000 0.824 214 G HN 0.143 nan 8.290 nan 0.000 0.518 215 F N 2.271 122.214 119.950 -0.012 0.000 2.679 215 F HA 0.535 5.064 4.527 0.003 0.000 0.351 215 F C 1.145 176.948 175.800 0.004 0.000 1.279 215 F CA -0.296 57.713 58.000 0.014 0.000 1.227 215 F CB 0.280 39.283 39.000 0.005 0.000 1.623 215 F HN 0.232 nan 8.300 nan 0.000 0.666 216 G N 0.473 109.381 108.800 0.179 0.000 2.392 216 G HA2 0.443 4.404 3.960 0.002 0.000 0.260 216 G HA3 0.443 4.404 3.960 0.002 0.000 0.260 216 G C -1.276 173.679 174.900 0.092 0.000 1.226 216 G CA -0.282 44.882 45.100 0.107 0.000 0.913 216 G HN 0.374 nan 8.290 nan 0.000 0.483 217 A N 0.564 123.428 122.820 0.072 0.000 3.026 217 A HA 0.621 4.942 4.320 0.002 0.000 0.272 217 A C 0.089 177.730 177.584 0.096 0.000 1.782 217 A CA 0.900 52.967 52.037 0.051 0.000 1.451 217 A CB -1.386 17.640 19.000 0.043 0.000 1.081 217 A HN 1.455 nan 8.150 nan 0.000 0.611 218 H N 0.007 119.060 119.070 -0.028 0.000 3.016 218 H HA 0.469 5.026 4.556 0.002 0.000 0.362 218 H C -2.548 172.755 175.328 -0.041 0.000 1.233 218 H CA -1.301 54.731 56.048 -0.027 0.000 1.124 218 H CB 1.647 31.400 29.762 -0.016 0.000 1.850 218 H HN 0.080 nan 8.280 nan 0.000 0.549 219 P HA -0.189 nan 4.420 nan 0.000 0.216 219 P C 1.092 178.351 177.300 -0.069 0.000 1.157 219 P CA 2.468 65.394 63.100 -0.291 0.000 0.880 219 P CB 0.008 31.485 31.700 -0.372 0.000 0.791 220 T N -1.044 113.603 114.554 0.156 0.000 2.652 220 T HA -0.139 4.212 4.350 0.002 0.000 0.267 220 T C 2.013 176.805 174.700 0.154 0.000 1.039 220 T CA 1.932 64.141 62.100 0.183 0.000 1.153 220 T CB -1.412 67.579 68.868 0.205 0.000 0.863 220 T HN 0.212 nan 8.240 nan 0.000 0.428 221 G N 1.296 110.226 108.800 0.218 0.000 2.440 221 G HA2 -0.161 3.800 3.960 0.002 0.000 0.218 221 G HA3 -0.161 3.800 3.960 0.002 0.000 0.218 221 G C 1.541 176.469 174.900 0.048 0.000 1.154 221 G CA 0.891 46.114 45.100 0.204 0.000 0.767 221 G HN 0.427 nan 8.290 nan 0.000 0.552 222 L N 0.234 121.438 121.223 -0.032 0.000 2.093 222 L HA 0.149 4.490 4.340 0.002 0.000 0.208 222 L C 2.583 179.346 176.870 -0.179 0.000 1.085 222 L CA 1.366 56.117 54.840 -0.148 0.000 0.755 222 L CB -0.328 41.593 42.059 -0.229 0.000 0.904 222 L HN 0.204 nan 8.230 nan 0.000 0.435 223 L N -1.062 120.057 121.223 -0.173 0.000 2.179 223 L HA -0.082 4.259 4.340 0.002 0.000 0.208 223 L C 2.171 178.852 176.870 -0.315 0.000 1.096 223 L CA 1.456 56.139 54.840 -0.262 0.000 0.779 223 L CB -0.702 41.188 42.059 -0.281 0.000 0.922 223 L HN 0.493 nan 8.230 nan 0.000 0.443 224 T N -4.893 109.520 114.554 -0.234 0.000 3.060 224 T HA 0.005 4.356 4.350 0.002 0.000 0.249 224 T C 1.670 176.227 174.700 -0.239 0.000 1.079 224 T CA 0.352 62.249 62.100 -0.340 0.000 1.013 224 T CB 0.141 68.836 68.868 -0.289 0.000 0.975 224 T HN 0.045 nan 8.240 nan 0.000 0.518 225 V N 1.840 121.695 119.914 -0.098 0.000 2.343 225 V HA -0.006 4.115 4.120 0.002 0.000 0.247 225 V C 2.836 178.878 176.094 -0.086 0.000 1.051 225 V CA 2.141 64.430 62.300 -0.017 0.000 1.036 225 V CB -1.089 30.714 31.823 -0.033 0.000 0.654 225 V HN 0.650 nan 8.190 nan 0.000 0.451 226 A N -0.718 121.994 122.820 -0.181 0.000 2.016 226 A HA -0.026 4.295 4.320 0.002 0.000 0.217 226 A C 2.025 179.488 177.584 -0.202 0.000 1.162 226 A CA 1.481 53.413 52.037 -0.176 0.000 0.662 226 A CB -0.534 18.338 19.000 -0.213 0.000 0.812 226 A HN 0.563 nan 8.150 nan 0.000 0.450 227 L N -0.996 120.028 121.223 -0.332 0.000 1.970 227 L HA -0.102 4.239 4.340 0.002 0.000 0.212 227 L C 2.108 178.793 176.870 -0.309 0.000 1.071 227 L CA 2.126 56.719 54.840 -0.411 0.000 0.751 227 L CB -0.963 40.681 42.059 -0.692 0.000 0.889 227 L HN 0.340 nan 8.230 nan 0.000 0.432 228 F N 0.505 120.341 119.950 -0.191 0.000 2.161 228 F HA -0.196 4.332 4.527 0.001 0.000 0.300 228 F C 2.490 178.225 175.800 -0.107 0.000 1.089 228 F CA 1.657 59.560 58.000 -0.163 0.000 1.282 228 F CB -0.795 38.073 39.000 -0.219 0.000 1.010 228 F HN 0.268 nan 8.300 nan 0.000 0.485 229 E N -0.191 120.040 120.200 0.052 0.000 2.106 229 E HA -0.158 4.193 4.350 0.002 0.000 0.192 229 E C 2.424 179.031 176.600 0.013 0.000 0.984 229 E CA 1.009 57.418 56.400 0.016 0.000 0.806 229 E CB -0.321 29.369 29.700 -0.016 0.000 0.750 229 E HN 0.364 nan 8.360 nan 0.000 0.458 230 A N 0.964 123.780 122.820 -0.006 0.000 1.897 230 A HA -0.112 4.209 4.320 0.002 0.000 0.215 230 A C 2.162 179.774 177.584 0.048 0.000 1.181 230 A CA 0.844 52.889 52.037 0.013 0.000 0.620 230 A CB -0.522 18.478 19.000 -0.000 0.000 0.821 230 A HN 0.105 nan 8.150 nan 0.000 0.443 231 L N -0.880 120.380 121.223 0.061 0.000 2.017 231 L HA -0.267 4.074 4.340 0.002 0.000 0.208 231 L C 2.865 179.795 176.870 0.100 0.000 1.073 231 L CA 1.878 56.785 54.840 0.112 0.000 0.745 231 L CB -0.624 41.537 42.059 0.170 0.000 0.894 231 L HN 0.557 nan 8.230 nan 0.000 0.432 232 Q N 0.759 120.610 119.800 0.086 0.000 2.096 232 Q HA -0.281 4.060 4.340 0.002 0.000 0.208 232 Q C 2.160 178.187 176.000 0.046 0.000 0.993 232 Q CA 2.548 58.384 55.803 0.055 0.000 0.862 232 Q CB 0.014 28.768 28.738 0.028 0.000 0.915 232 Q HN 0.556 nan 8.270 nan 0.000 0.416 233 R N -1.359 119.166 120.500 0.042 0.000 2.276 233 R HA 0.107 4.448 4.340 0.002 0.000 0.196 233 R C 1.583 177.911 176.300 0.047 0.000 0.961 233 R CA 0.609 56.732 56.100 0.037 0.000 1.024 233 R CB 0.175 30.492 30.300 0.028 0.000 0.940 233 R HN 0.110 nan 8.270 nan 0.000 0.480 234 R N -0.190 120.345 120.500 0.060 0.000 2.344 234 R HA 0.206 4.547 4.340 0.002 0.000 0.209 234 R C 0.123 176.469 176.300 0.078 0.000 0.886 234 R CA -0.028 56.112 56.100 0.066 0.000 1.040 234 R CB 0.676 31.018 30.300 0.070 0.000 1.114 234 R HN 0.073 nan 8.270 nan 0.000 0.547 235 Q N 1.198 121.051 119.800 0.089 0.000 2.788 235 Q HA 0.205 4.546 4.340 0.002 0.000 0.261 235 Q C -2.045 174.015 176.000 0.100 0.000 1.029 235 Q CA -1.657 54.206 55.803 0.101 0.000 0.848 235 Q CB 1.693 30.503 28.738 0.119 0.000 1.185 235 Q HN 0.051 nan 8.270 nan 0.000 0.482 236 P HA -0.154 nan 4.420 nan 0.000 0.216 236 P C 0.209 177.576 177.300 0.112 0.000 1.150 236 P CA 1.246 64.398 63.100 0.088 0.000 0.843 236 P CB 0.452 32.197 31.700 0.076 0.000 0.787 237 D N -0.602 119.886 120.400 0.146 0.000 2.336 237 D HA 0.123 4.764 4.640 0.002 0.000 0.229 237 D C 0.556 176.967 176.300 0.185 0.000 1.061 237 D CA 0.454 54.579 54.000 0.208 0.000 0.875 237 D CB -0.169 40.814 40.800 0.304 0.000 0.904 237 D HN 0.270 nan 8.370 nan 0.000 0.525 238 L N 0.348 121.643 121.223 0.121 0.000 2.386 238 L HA 0.419 4.760 4.340 0.002 0.000 0.271 238 L C -0.214 176.720 176.870 0.107 0.000 0.993 238 L CA -0.815 54.069 54.840 0.073 0.000 0.819 238 L CB 2.230 44.328 42.059 0.066 0.000 1.294 238 L HN -0.362 nan 8.230 nan 0.000 0.414 239 Q N 3.430 123.307 119.800 0.129 0.000 2.348 239 Q HA 0.532 4.873 4.340 0.002 0.000 0.265 239 Q C -0.968 175.180 176.000 0.246 0.000 0.998 239 Q CA -0.800 55.098 55.803 0.159 0.000 0.831 239 Q CB 2.576 31.448 28.738 0.224 0.000 1.251 239 Q HN 0.424 nan 8.270 nan 0.000 0.456 240 M N 2.838 122.538 119.600 0.165 0.000 2.146 240 M HA 0.292 4.773 4.480 0.002 0.000 0.357 240 M C -0.404 175.922 176.300 0.044 0.000 1.261 240 M CA 0.084 55.536 55.300 0.254 0.000 1.106 240 M CB 0.393 33.127 32.600 0.224 0.000 1.612 240 M HN 0.504 nan 8.290 nan 0.000 0.470 241 H N 3.381 122.525 119.070 0.122 0.000 2.505 241 H HA 0.466 5.024 4.556 0.002 0.000 0.338 241 H C -1.100 174.163 175.328 -0.109 0.000 1.057 241 H CA -0.867 55.144 56.048 -0.062 0.000 1.202 241 H CB 2.140 31.882 29.762 -0.034 0.000 1.466 241 H HN 0.376 nan 8.280 nan 0.000 0.499 242 L N 3.819 124.873 121.223 -0.281 0.000 2.307 242 L HA 0.283 4.624 4.340 0.002 0.000 0.284 242 L C -0.655 176.086 176.870 -0.216 0.000 1.023 242 L CA -0.246 54.425 54.840 -0.281 0.000 0.810 242 L CB 0.551 42.090 42.059 -0.867 0.000 1.231 242 L HN 0.450 nan 8.230 nan 0.000 0.423 243 F N 2.804 122.981 119.950 0.379 0.000 2.332 243 F HA 0.629 5.158 4.527 0.003 0.000 0.368 243 F C 0.501 176.560 175.800 0.433 0.000 1.110 243 F CA -0.685 57.520 58.000 0.343 0.000 1.087 243 F CB 1.221 40.362 39.000 0.235 0.000 1.235 243 F HN 0.503 nan 8.300 nan 0.000 0.470 244 A N 1.724 124.811 122.820 0.445 0.000 2.252 244 A HA 0.467 4.788 4.320 0.002 0.000 0.309 244 A C 0.867 178.605 177.584 0.256 0.000 1.285 244 A CA -0.391 51.909 52.037 0.438 0.000 0.900 244 A CB 0.117 19.319 19.000 0.336 0.000 1.157 244 A HN 0.823 nan 8.150 nan 0.000 0.536 245 T N -0.657 114.013 114.554 0.195 0.000 3.144 245 T HA 0.258 4.609 4.350 0.002 0.000 0.249 245 T C 0.607 175.345 174.700 0.063 0.000 1.089 245 T CA 0.467 62.636 62.100 0.114 0.000 0.989 245 T CB -0.680 68.250 68.868 0.103 0.000 0.992 245 T HN 0.996 nan 8.240 nan 0.000 0.540 246 S N -0.364 115.378 115.700 0.070 0.000 2.568 246 S HA 0.792 5.263 4.470 0.002 0.000 0.293 246 S C 0.332 174.965 174.600 0.055 0.000 1.089 246 S CA -0.745 57.480 58.200 0.041 0.000 0.945 246 S CB 1.556 64.766 63.200 0.017 0.000 1.077 246 S HN 0.398 nan 8.310 nan 0.000 0.485 247 G N 0.319 109.139 108.800 0.033 0.000 2.621 247 G HA2 0.347 4.308 3.960 0.002 0.000 0.271 247 G HA3 0.347 4.308 3.960 0.002 0.000 0.271 247 G C -0.617 174.301 174.900 0.031 0.000 1.236 247 G CA -0.454 44.662 45.100 0.027 0.000 0.958 247 G HN 0.792 nan 8.290 nan 0.000 0.512 248 D N -0.385 120.027 120.400 0.020 0.000 2.371 248 D HA 0.067 4.708 4.640 0.002 0.000 0.256 248 D C 0.637 176.949 176.300 0.020 0.000 1.193 248 D CA -0.446 53.565 54.000 0.019 0.000 0.881 248 D CB 1.211 42.014 40.800 0.005 0.000 1.143 248 D HN 0.330 nan 8.370 nan 0.000 0.473 249 D N 2.366 122.782 120.400 0.026 0.000 2.349 249 D HA 0.140 4.781 4.640 0.002 0.000 0.214 249 D C 1.397 177.711 176.300 0.024 0.000 1.063 249 D CA 0.350 54.366 54.000 0.027 0.000 0.847 249 D CB -0.040 40.782 40.800 0.036 0.000 0.933 249 D HN 0.583 nan 8.370 nan 0.000 0.513 250 G N 0.346 109.157 108.800 0.018 0.000 2.176 250 G HA2 -0.274 3.687 3.960 0.002 0.000 0.253 250 G HA3 -0.274 3.687 3.960 0.002 0.000 0.253 250 G C 0.360 175.271 174.900 0.018 0.000 0.979 250 G CA 0.371 45.480 45.100 0.015 0.000 0.641 250 G HN 0.833 nan 8.290 nan 0.000 0.530 251 S N -0.465 115.248 115.700 0.022 0.000 2.584 251 S HA 0.588 5.059 4.470 0.002 0.000 0.273 251 S C 1.381 175.990 174.600 0.015 0.000 1.311 251 S CA 0.787 59.001 58.200 0.024 0.000 1.034 251 S CB 1.687 64.905 63.200 0.030 0.000 0.939 251 S HN 0.386 nan 8.310 nan 0.000 0.513 252 T N 2.533 117.096 114.554 0.014 0.000 2.803 252 T HA -0.070 4.281 4.350 0.002 0.000 0.269 252 T C 1.639 176.338 174.700 -0.002 0.000 1.052 252 T CA 1.440 63.544 62.100 0.005 0.000 1.136 252 T CB -0.598 68.276 68.868 0.010 0.000 0.864 252 T HN 0.542 nan 8.240 nan 0.000 0.467 253 L N 0.580 121.804 121.223 0.001 0.000 2.012 253 L HA -0.130 4.211 4.340 0.002 0.000 0.210 253 L C 2.824 179.697 176.870 0.006 0.000 1.073 253 L CA 1.317 56.157 54.840 -0.001 0.000 0.748 253 L CB -0.435 41.624 42.059 0.001 0.000 0.891 253 L HN 0.112 nan 8.230 nan 0.000 0.431 254 R N 0.037 120.547 120.500 0.018 0.000 2.105 254 R HA -0.140 4.201 4.340 0.002 0.000 0.239 254 R C 2.123 178.404 176.300 -0.031 0.000 1.135 254 R CA 2.247 58.353 56.100 0.011 0.000 0.967 254 R CB -0.946 29.368 30.300 0.024 0.000 0.861 254 R HN 0.246 nan 8.270 nan 0.000 0.442 255 T N 0.204 114.742 114.554 -0.026 0.000 2.812 255 T HA -0.014 4.338 4.350 0.002 0.000 0.264 255 T C 1.793 176.460 174.700 -0.054 0.000 1.042 255 T CA 1.424 63.500 62.100 -0.040 0.000 1.140 255 T CB -0.158 68.695 68.868 -0.026 0.000 0.870 255 T HN 0.296 nan 8.240 nan 0.000 0.445 256 R N 0.536 121.009 120.500 -0.044 0.000 2.096 256 R HA 0.045 4.386 4.340 0.002 0.000 0.235 256 R C 2.415 178.668 176.300 -0.079 0.000 1.127 256 R CA 1.013 57.083 56.100 -0.051 0.000 0.968 256 R CB -0.541 29.737 30.300 -0.036 0.000 0.861 256 R HN 0.343 nan 8.270 nan 0.000 0.440 257 L N -0.093 121.071 121.223 -0.097 0.000 2.017 257 L HA -0.159 4.182 4.340 0.002 0.000 0.208 257 L C 2.650 179.364 176.870 -0.261 0.000 1.073 257 L CA 1.315 56.041 54.840 -0.190 0.000 0.745 257 L CB -0.538 41.396 42.059 -0.208 0.000 0.894 257 L HN 0.254 nan 8.230 nan 0.000 0.432 258 A N 0.077 122.775 122.820 -0.203 0.000 1.933 258 A HA -0.223 4.098 4.320 0.002 0.000 0.218 258 A C 2.189 179.668 177.584 -0.175 0.000 1.175 258 A CA 1.517 53.431 52.037 -0.205 0.000 0.628 258 A CB -0.458 18.451 19.000 -0.152 0.000 0.814 258 A HN 0.623 nan 8.150 nan 0.000 0.444 259 Q N -0.771 118.952 119.800 -0.129 0.000 2.369 259 Q HA 0.194 4.535 4.340 0.002 0.000 0.206 259 Q C 1.643 177.578 176.000 -0.107 0.000 0.963 259 Q CA 0.939 56.679 55.803 -0.105 0.000 0.894 259 Q CB -0.285 28.410 28.738 -0.071 0.000 0.965 259 Q HN 0.554 nan 8.270 nan 0.000 0.475 260 A N 0.987 123.731 122.820 -0.126 0.000 2.308 260 A HA 0.219 4.540 4.320 0.002 0.000 0.217 260 A C 0.774 178.264 177.584 -0.158 0.000 1.216 260 A CA 0.362 52.338 52.037 -0.101 0.000 0.864 260 A CB 0.325 19.296 19.000 -0.049 0.000 0.902 260 A HN 0.370 nan 8.150 nan 0.000 0.499 261 S N -2.314 113.239 115.700 -0.244 0.000 2.752 261 S HA 0.509 4.980 4.470 0.002 0.000 0.284 261 S C -0.620 173.767 174.600 -0.356 0.000 1.189 261 S CA -0.453 57.555 58.200 -0.321 0.000 0.835 261 S CB 0.771 63.664 63.200 -0.511 0.000 1.192 261 S HN -0.010 nan 8.310 nan 0.000 0.506 262 T N 1.911 116.183 114.554 -0.471 0.000 2.747 262 T HA 0.483 4.834 4.350 0.002 0.000 0.301 262 T C -0.606 173.735 174.700 -0.599 0.000 0.952 262 T CA -0.250 61.510 62.100 -0.568 0.000 0.983 262 T CB -0.116 68.263 68.868 -0.814 0.000 0.930 262 T HN 0.541 nan 8.240 nan 0.000 0.494 263 L N 5.833 126.742 121.223 -0.523 0.000 2.276 263 L HA 0.410 4.751 4.340 0.002 0.000 0.286 263 L C -0.221 176.408 176.870 -0.400 0.000 1.024 263 L CA -0.696 53.879 54.840 -0.441 0.000 0.826 263 L CB 0.326 42.175 42.059 -0.349 0.000 1.211 263 L HN 0.640 nan 8.230 nan 0.000 0.422 264 H N 2.851 121.741 119.070 -0.301 0.000 2.502 264 H HA 0.150 4.708 4.556 0.002 0.000 0.327 264 H C -1.002 174.312 175.328 -0.024 0.000 1.099 264 H CA -0.609 55.356 56.048 -0.138 0.000 1.323 264 H CB 1.890 31.589 29.762 -0.105 0.000 1.450 264 H HN 0.525 nan 8.280 nan 0.000 0.502 265 D N 3.478 123.935 120.400 0.095 0.000 2.411 265 D HA 0.055 4.696 4.640 0.002 0.000 0.225 265 D C 0.562 176.895 176.300 0.056 0.000 1.156 265 D CA -0.504 53.535 54.000 0.066 0.000 0.874 265 D CB 0.470 41.279 40.800 0.016 0.000 1.034 265 D HN 0.381 nan 8.370 nan 0.000 0.502 266 V N 1.446 121.423 119.914 0.105 0.000 3.043 266 V HA 0.329 4.450 4.120 0.002 0.000 0.357 266 V C 0.552 176.664 176.094 0.031 0.000 1.372 266 V CA -0.569 61.763 62.300 0.054 0.000 1.214 266 V CB -0.382 31.523 31.823 0.138 0.000 1.224 266 V HN 0.324 nan 8.190 nan 0.000 0.507 267 T N 2.407 116.976 114.554 0.026 0.000 2.888 267 T HA 0.504 4.855 4.350 0.002 0.000 0.301 267 T C 1.185 175.867 174.700 -0.030 0.000 1.001 267 T CA 0.980 63.084 62.100 0.007 0.000 1.147 267 T CB 0.976 69.850 68.868 0.011 0.000 0.931 267 T HN 1.712 nan 8.240 nan 0.000 0.541 268 A N 2.826 125.616 122.820 -0.050 0.000 3.021 268 A HA -0.142 4.179 4.320 0.002 0.000 0.257 268 A C 0.444 177.972 177.584 -0.094 0.000 1.277 268 A CA 0.514 52.504 52.037 -0.079 0.000 1.012 268 A CB -2.355 16.603 19.000 -0.069 0.000 1.147 268 A HN 0.691 nan 8.150 nan 0.000 0.861 269 L N -0.307 120.862 121.223 -0.090 0.000 2.399 269 L HA 0.559 4.901 4.340 0.002 0.000 0.266 269 L C 1.502 178.281 176.870 -0.153 0.000 1.114 269 L CA -0.025 54.755 54.840 -0.101 0.000 0.804 269 L CB 1.057 43.068 42.059 -0.080 0.000 1.146 269 L HN 0.507 nan 8.230 nan 0.000 0.451 270 G N -0.470 108.233 108.800 -0.162 0.000 2.683 270 G HA2 0.030 3.991 3.960 0.002 0.000 0.260 270 G HA3 0.030 3.991 3.960 0.002 0.000 0.260 270 G C 0.760 175.533 174.900 -0.212 0.000 1.238 270 G CA -0.257 44.693 45.100 -0.250 0.000 0.934 270 G HN 0.749 nan 8.290 nan 0.000 0.534 271 H N -0.443 118.582 119.070 -0.075 0.000 2.357 271 H HA -0.081 4.476 4.556 0.002 0.000 0.301 271 H C 2.488 177.754 175.328 -0.102 0.000 1.082 271 H CA 1.255 57.246 56.048 -0.094 0.000 1.342 271 H CB -0.277 29.422 29.762 -0.104 0.000 1.389 271 H HN 0.268 nan 8.280 nan 0.000 0.511 272 L N 1.121 122.366 121.223 0.038 0.000 1.994 272 L HA -0.073 4.269 4.340 0.002 0.000 0.208 272 L C 2.599 179.452 176.870 -0.028 0.000 1.071 272 L CA 1.888 56.719 54.840 -0.014 0.000 0.745 272 L CB -0.967 41.082 42.059 -0.017 0.000 0.892 272 L HN 0.182 nan 8.230 nan 0.000 0.431 273 A N -1.591 121.210 122.820 -0.032 0.000 1.908 273 A HA -0.243 4.078 4.320 0.002 0.000 0.218 273 A C 2.260 179.841 177.584 -0.005 0.000 1.181 273 A CA 2.523 54.545 52.037 -0.026 0.000 0.627 273 A CB -1.287 17.687 19.000 -0.044 0.000 0.818 273 A HN 0.546 nan 8.150 nan 0.000 0.445 274 T N 0.243 114.784 114.554 -0.022 0.000 2.737 274 T HA 0.016 4.367 4.350 0.002 0.000 0.265 274 T C 2.275 176.936 174.700 -0.065 0.000 1.038 274 T CA 1.611 63.703 62.100 -0.014 0.000 1.144 274 T CB -0.568 68.285 68.868 -0.025 0.000 0.866 274 T HN 0.625 nan 8.240 nan 0.000 0.434 275 A N 2.013 124.767 122.820 -0.110 0.000 1.892 275 A HA -0.211 4.110 4.320 0.002 0.000 0.218 275 A C 2.263 179.780 177.584 -0.112 0.000 1.188 275 A CA 1.882 53.818 52.037 -0.168 0.000 0.631 275 A CB -0.561 18.344 19.000 -0.159 0.000 0.822 275 A HN 0.471 nan 8.150 nan 0.000 0.447 276 K N -1.754 118.618 120.400 -0.046 0.000 2.103 276 K HA -0.216 4.105 4.320 0.002 0.000 0.207 276 K C 2.098 178.727 176.600 0.048 0.000 1.048 276 K CA 1.717 57.998 56.287 -0.010 0.000 0.930 276 K CB -0.327 32.172 32.500 -0.002 0.000 0.716 276 K HN 0.743 nan 8.250 nan 0.000 0.444 277 H N 0.915 119.978 119.070 -0.012 0.000 2.321 277 H HA -0.023 4.534 4.556 0.002 0.000 0.300 277 H C 1.812 177.220 175.328 0.134 0.000 1.087 277 H CA 1.648 57.756 56.048 0.100 0.000 1.319 277 H CB -0.070 29.760 29.762 0.114 0.000 1.379 277 H HN 0.066 nan 8.280 nan 0.000 0.501 278 I N -0.191 120.287 120.570 -0.154 0.000 2.179 278 I HA -0.261 3.910 4.170 0.002 0.000 0.242 278 I C 2.645 178.628 176.117 -0.222 0.000 1.088 278 I CA 1.479 62.520 61.300 -0.432 0.000 1.357 278 I CB -0.244 37.331 38.000 -0.708 0.000 1.051 278 I HN 0.184 nan 8.210 nan 0.000 0.409 279 R N 0.578 120.981 120.500 -0.162 0.000 2.091 279 R HA -0.272 4.069 4.340 0.002 0.000 0.238 279 R C 2.372 178.620 176.300 -0.087 0.000 1.136 279 R CA 1.976 58.009 56.100 -0.112 0.000 0.959 279 R CB -0.804 29.445 30.300 -0.085 0.000 0.856 279 R HN 0.447 nan 8.270 nan 0.000 0.437 280 H N -0.844 118.128 119.070 -0.163 0.000 2.353 280 H HA -0.127 4.430 4.556 0.002 0.000 0.298 280 H C 1.172 176.288 175.328 -0.353 0.000 1.103 280 H CA 2.450 58.354 56.048 -0.240 0.000 1.293 280 H CB -0.209 29.394 29.762 -0.266 0.000 1.372 280 H HN 0.504 nan 8.280 nan 0.000 0.501 281 H N -1.029 117.895 119.070 -0.243 0.000 2.556 281 H HA 0.191 4.748 4.556 0.002 0.000 0.268 281 H C 1.326 176.519 175.328 -0.226 0.000 0.996 281 H CA 0.671 56.571 56.048 -0.247 0.000 1.157 281 H CB 0.129 29.783 29.762 -0.181 0.000 1.355 281 H HN 0.592 nan 8.280 nan 0.000 0.597 282 G N 1.059 109.774 108.800 -0.141 0.000 2.272 282 G HA2 -0.256 3.705 3.960 0.002 0.000 0.280 282 G HA3 -0.256 3.705 3.960 0.002 0.000 0.280 282 G C -0.154 174.678 174.900 -0.112 0.000 1.067 282 G CA -0.150 44.877 45.100 -0.121 0.000 0.902 282 G HN 0.207 nan 8.290 nan 0.000 0.500 283 I N 0.846 121.344 120.570 -0.119 0.000 2.598 283 I HA 0.082 4.254 4.170 0.002 0.000 0.284 283 I C 1.086 177.141 176.117 -0.103 0.000 1.140 283 I CA 0.031 61.266 61.300 -0.109 0.000 1.420 283 I CB 0.568 38.507 38.000 -0.101 0.000 1.387 283 I HN 0.218 nan 8.210 nan 0.000 0.553 284 D N 5.201 125.540 120.400 -0.102 0.000 2.269 284 D HA 0.041 4.682 4.640 0.002 0.000 0.220 284 D C 0.159 176.385 176.300 -0.124 0.000 0.962 284 D CA 0.994 54.924 54.000 -0.117 0.000 0.884 284 D CB 0.516 41.221 40.800 -0.157 0.000 1.023 284 D HN 0.145 nan 8.370 nan 0.000 0.484 285 L N 1.565 122.725 121.223 -0.106 0.000 2.343 285 L HA 0.366 4.707 4.340 0.002 0.000 0.278 285 L C -0.694 176.157 176.870 -0.031 0.000 0.996 285 L CA -0.764 54.014 54.840 -0.104 0.000 0.831 285 L CB 1.552 43.562 42.059 -0.080 0.000 1.232 285 L HN -0.094 nan 8.230 nan 0.000 0.413 286 L N 4.045 125.243 121.223 -0.042 0.000 2.305 286 L HA 0.619 4.960 4.340 0.002 0.000 0.284 286 L C -1.135 175.826 176.870 0.151 0.000 1.013 286 L CA 0.062 54.950 54.840 0.081 0.000 0.819 286 L CB 1.049 43.123 42.059 0.024 0.000 1.227 286 L HN 0.286 nan 8.230 nan 0.000 0.417 287 F N 3.204 123.234 119.950 0.134 0.000 2.415 287 F HA 0.303 4.831 4.527 0.002 0.000 0.348 287 F C 0.406 176.480 175.800 0.457 0.000 1.119 287 F CA -0.460 57.704 58.000 0.274 0.000 1.069 287 F CB 1.279 40.425 39.000 0.243 0.000 1.124 287 F HN 0.445 nan 8.300 nan 0.000 0.472 288 D N 4.663 125.270 120.400 0.345 0.000 2.422 288 D HA 0.162 4.803 4.640 0.002 0.000 0.227 288 D C -0.295 176.187 176.300 0.303 0.000 1.190 288 D CA -0.103 53.913 54.000 0.028 0.000 0.905 288 D CB 0.694 41.099 40.800 -0.659 0.000 1.034 288 D HN 0.306 nan 8.370 nan 0.000 0.507 289 L N 4.416 125.892 121.223 0.421 0.000 3.034 289 L HA 0.296 4.637 4.340 0.002 0.000 0.245 289 L C 1.969 178.946 176.870 0.178 0.000 1.295 289 L CA 0.005 55.042 54.840 0.329 0.000 1.068 289 L CB -0.073 42.217 42.059 0.386 0.000 1.426 289 L HN 0.252 nan 8.230 nan 0.000 0.531 290 R N -0.204 120.404 120.500 0.182 0.000 2.161 290 R HA 0.199 4.540 4.340 0.002 0.000 0.213 290 R C 1.534 177.900 176.300 0.109 0.000 1.055 290 R CA 0.804 57.013 56.100 0.182 0.000 0.996 290 R CB 0.095 30.573 30.300 0.297 0.000 0.901 290 R HN 0.472 nan 8.270 nan 0.000 0.456 291 G N -0.839 108.008 108.800 0.078 0.000 2.176 291 G HA2 -0.222 3.739 3.960 0.002 0.000 0.232 291 G HA3 -0.222 3.739 3.960 0.002 0.000 0.232 291 G C 0.295 175.062 174.900 -0.222 0.000 0.986 291 G CA 0.136 45.188 45.100 -0.081 0.000 0.643 291 G HN 0.433 nan 8.290 nan 0.000 0.522 292 W N 0.747 122.107 121.300 0.100 0.000 3.103 292 W HA 0.476 5.137 4.660 0.002 0.000 0.325 292 W C 1.842 178.174 176.519 -0.312 0.000 1.170 292 W CA 0.717 58.073 57.345 0.019 0.000 1.712 292 W CB 0.320 29.780 29.460 0.000 0.000 1.068 292 W HN 1.024 nan 8.180 nan 0.000 0.592 293 G N 1.446 110.054 108.800 -0.320 0.000 2.591 293 G HA2 -0.374 3.587 3.960 0.002 0.000 0.298 293 G HA3 -0.374 3.587 3.960 0.002 0.000 0.298 293 G C 1.148 175.947 174.900 -0.169 0.000 1.195 293 G CA 0.526 45.246 45.100 -0.632 0.000 0.989 293 G HN 0.471 nan 8.290 nan 0.000 0.551 294 G N 1.036 109.734 108.800 -0.169 0.000 2.920 294 G HA2 0.529 4.490 3.960 0.002 0.000 0.208 294 G HA3 0.529 4.490 3.960 0.002 0.000 0.208 294 G C 0.889 175.872 174.900 0.139 0.000 1.159 294 G CA 1.338 46.477 45.100 0.065 0.000 0.784 294 G HN 1.452 nan 8.290 nan 0.000 0.535 295 G N -1.659 107.200 108.800 0.098 0.000 2.702 295 G HA2 0.486 4.447 3.960 0.002 0.000 0.254 295 G HA3 0.486 4.447 3.960 0.002 0.000 0.254 295 G C 0.939 175.898 174.900 0.098 0.000 1.380 295 G CA -0.165 45.012 45.100 0.128 0.000 1.042 295 G HN 1.120 nan 8.290 nan 0.000 0.557 296 G N -1.123 107.618 108.800 -0.098 0.000 2.323 296 G HA2 -0.141 3.820 3.960 0.002 0.000 0.292 296 G HA3 -0.141 3.820 3.960 0.002 0.000 0.292 296 G C 0.507 175.197 174.900 -0.350 0.000 1.040 296 G CA 0.759 45.517 45.100 -0.570 0.000 0.942 296 G HN 1.376 nan 8.290 nan 0.000 0.506 297 R N -2.378 118.005 120.500 -0.195 0.000 3.152 297 R HA -0.162 4.179 4.340 0.002 0.000 0.252 297 R C -1.672 174.514 176.300 -0.191 0.000 0.930 297 R CA 1.128 57.113 56.100 -0.192 0.000 0.642 297 R CB -1.183 29.047 30.300 -0.116 0.000 1.205 297 R HN 0.496 nan 8.270 nan 0.000 0.452 298 P HA 0.020 nan 4.420 nan 0.000 0.249 298 P C 0.134 177.211 177.300 -0.372 0.000 1.583 298 P CA 0.030 63.064 63.100 -0.110 0.000 0.988 298 P CB 0.541 32.251 31.700 0.018 0.000 1.530 299 E N -0.286 119.596 120.200 -0.530 0.000 2.338 299 E HA -0.062 4.289 4.350 0.002 0.000 0.197 299 E C 1.657 177.994 176.600 -0.438 0.000 1.007 299 E CA 0.611 56.669 56.400 -0.570 0.000 0.849 299 E CB -1.273 28.084 29.700 -0.573 0.000 0.774 299 E HN 0.133 nan 8.360 nan 0.000 0.506 300 V N 0.751 120.477 119.914 -0.313 0.000 2.332 300 V HA -0.244 3.877 4.120 0.002 0.000 0.248 300 V C 2.043 177.855 176.094 -0.470 0.000 1.055 300 V CA 1.809 63.940 62.300 -0.282 0.000 1.038 300 V CB -0.678 31.026 31.823 -0.197 0.000 0.651 300 V HN 0.103 nan 8.190 nan 0.000 0.450 301 F N 0.378 120.067 119.950 -0.435 0.000 2.163 301 F HA 0.025 4.553 4.527 0.002 0.000 0.297 301 F C 2.411 177.683 175.800 -0.879 0.000 1.094 301 F CA 1.153 58.814 58.000 -0.564 0.000 1.290 301 F CB -0.804 37.899 39.000 -0.494 0.000 1.017 301 F HN 0.076 nan 8.300 nan 0.000 0.483 302 A N -0.008 122.147 122.820 -1.108 0.000 2.070 302 A HA -0.128 4.193 4.320 0.002 0.000 0.220 302 A C 2.079 179.474 177.584 -0.315 0.000 1.159 302 A CA 1.217 52.720 52.037 -0.889 0.000 0.656 302 A CB -1.059 17.427 19.000 -0.857 0.000 0.800 302 A HN 0.434 nan 8.150 nan 0.000 0.453 303 L N -1.557 119.484 121.223 -0.303 0.000 2.478 303 L HA 0.003 4.344 4.340 0.002 0.000 0.223 303 L C 0.422 177.211 176.870 -0.135 0.000 1.140 303 L CA -0.072 54.660 54.840 -0.180 0.000 0.842 303 L CB -0.165 41.788 42.059 -0.176 0.000 0.953 303 L HN 0.322 nan 8.230 nan 0.000 0.452 304 R N -1.337 119.078 120.500 -0.142 0.000 3.267 304 R HA -0.147 4.194 4.340 0.002 0.000 0.254 304 R C -1.771 174.461 176.300 -0.114 0.000 0.993 304 R CA 0.548 56.604 56.100 -0.073 0.000 0.670 304 R CB -1.835 28.466 30.300 0.002 0.000 1.125 304 R HN 0.299 nan 8.270 nan 0.000 0.434 305 P HA -0.051 nan 4.420 nan 0.000 0.226 305 P C 0.224 177.427 177.300 -0.163 0.000 1.153 305 P CA 1.364 64.350 63.100 -0.190 0.000 0.777 305 P CB 0.420 31.954 31.700 -0.278 0.000 0.794 306 A N 0.525 123.258 122.820 -0.146 0.000 2.374 306 A HA 0.576 4.897 4.320 0.002 0.000 0.317 306 A C -1.877 175.666 177.584 -0.068 0.000 1.094 306 A CA -1.752 50.217 52.037 -0.114 0.000 0.765 306 A CB 1.119 20.047 19.000 -0.121 0.000 1.268 306 A HN -0.167 nan 8.150 nan 0.000 0.438 307 P HA 0.011 nan 4.420 nan 0.000 0.221 307 P C 0.063 177.322 177.300 -0.069 0.000 1.150 307 P CA 0.973 64.041 63.100 -0.052 0.000 0.800 307 P CB 0.159 31.829 31.700 -0.050 0.000 0.787 308 V N 1.124 120.977 119.914 -0.101 0.000 2.525 308 V HA 0.271 4.392 4.120 0.002 0.000 0.299 308 V C -0.337 175.729 176.094 -0.045 0.000 1.034 308 V CA -0.542 61.691 62.300 -0.111 0.000 0.863 308 V CB 1.978 33.637 31.823 -0.274 0.000 0.999 308 V HN -0.026 nan 8.190 nan 0.000 0.423 309 Q N 3.530 123.357 119.800 0.045 0.000 2.353 309 Q HA 0.808 5.149 4.340 0.002 0.000 0.268 309 Q C -1.439 174.588 176.000 0.045 0.000 1.045 309 Q CA -0.790 55.075 55.803 0.102 0.000 0.811 309 Q CB 3.228 32.151 28.738 0.309 0.000 1.305 309 Q HN 0.534 nan 8.270 nan 0.000 0.447 310 V N 1.853 121.700 119.914 -0.111 0.000 2.735 310 V HA 0.375 4.496 4.120 0.002 0.000 0.310 310 V C -0.659 175.415 176.094 -0.034 0.000 1.061 310 V CA -0.982 61.199 62.300 -0.198 0.000 0.913 310 V CB 2.110 33.447 31.823 -0.811 0.000 1.005 310 V HN 0.718 nan 8.190 nan 0.000 0.428 311 N N 2.828 121.599 118.700 0.118 0.000 2.425 311 N HA 0.433 5.174 4.740 0.002 0.000 0.268 311 N C -1.560 174.221 175.510 0.451 0.000 0.991 311 N CA -0.384 52.801 53.050 0.225 0.000 0.931 311 N CB 1.302 39.884 38.487 0.159 0.000 1.130 311 N HN 0.737 nan 8.380 nan 0.000 0.493 312 W N 5.995 127.511 121.300 0.360 0.000 3.425 312 W HA 0.448 5.109 4.660 0.001 0.000 0.318 312 W C 0.066 176.862 176.519 0.461 0.000 1.201 312 W CA -0.790 56.837 57.345 0.469 0.000 1.212 312 W CB 0.212 30.119 29.460 0.745 0.000 1.355 312 W HN 0.515 nan 8.180 nan 0.000 0.515 313 L N 3.750 125.018 121.223 0.076 0.000 3.153 313 L HA -0.389 3.952 4.340 0.002 0.000 0.369 313 L C 1.536 178.487 176.870 0.134 0.000 3.110 313 L CA 4.034 58.815 54.840 -0.098 0.000 2.423 313 L CB -1.947 39.542 42.059 -0.950 0.000 2.474 313 L HN 0.866 nan 8.230 nan 0.000 0.797 314 A N -2.030 120.865 122.820 0.124 0.000 1.970 314 A HA 0.098 4.419 4.320 0.002 0.000 0.216 314 A C 0.914 178.609 177.584 0.184 0.000 1.170 314 A CA 1.454 53.578 52.037 0.145 0.000 0.645 314 A CB -0.335 18.759 19.000 0.157 0.000 0.816 314 A HN 0.686 nan 8.150 nan 0.000 0.447 315 Y N 1.297 121.647 120.300 0.083 0.000 2.356 315 Y HA 0.483 5.034 4.550 0.002 0.000 0.334 315 Y C -2.550 173.356 175.900 0.010 0.000 0.958 315 Y CA -3.002 55.148 58.100 0.083 0.000 1.196 315 Y CB 1.736 40.254 38.460 0.096 0.000 1.137 315 Y HN 0.027 nan 8.280 nan 0.000 0.485 316 P HA 0.352 nan 4.420 nan 0.000 0.225 316 P C -0.183 176.824 177.300 -0.487 0.000 1.813 316 P CA 0.486 63.397 63.100 -0.315 0.000 1.013 316 P CB 0.159 31.838 31.700 -0.035 0.000 1.961 317 G N -0.590 107.944 108.800 -0.444 0.000 2.321 317 G HA2 0.259 4.220 3.960 0.002 0.000 0.296 317 G HA3 0.259 4.220 3.960 0.002 0.000 0.296 317 G C -1.499 173.475 174.900 0.125 0.000 1.287 317 G CA -0.468 44.511 45.100 -0.201 0.000 0.846 317 G HN 0.179 nan 8.290 nan 0.000 0.508 318 T N -0.749 113.717 114.554 -0.147 0.000 2.910 318 T HA 0.453 4.804 4.350 0.002 0.000 0.293 318 T C 1.924 176.647 174.700 0.039 0.000 1.015 318 T CA 0.862 62.882 62.100 -0.134 0.000 1.094 318 T CB 0.929 69.488 68.868 -0.516 0.000 0.968 318 T HN 1.508 nan 8.240 nan 0.000 0.521 319 S N 2.842 118.529 115.700 -0.021 0.000 2.453 319 S HA 0.151 4.622 4.470 0.002 0.000 0.231 319 S C 1.956 176.424 174.600 -0.219 0.000 1.005 319 S CA 0.800 58.905 58.200 -0.158 0.000 0.949 319 S CB -0.805 62.293 63.200 -0.170 0.000 0.774 319 S HN 1.748 nan 8.310 nan 0.000 0.510 320 G N 1.039 109.722 108.800 -0.195 0.000 2.180 320 G HA2 -0.136 3.825 3.960 0.002 0.000 0.263 320 G HA3 -0.136 3.825 3.960 0.002 0.000 0.263 320 G C 0.150 174.853 174.900 -0.329 0.000 0.989 320 G CA 0.294 45.266 45.100 -0.213 0.000 0.692 320 G HN 1.380 nan 8.290 nan 0.000 0.526 321 A N 0.140 122.661 122.820 -0.499 0.000 2.317 321 A HA 0.837 5.158 4.320 0.002 0.000 0.327 321 A C -0.352 176.778 177.584 -0.756 0.000 1.178 321 A CA -0.979 50.496 52.037 -0.936 0.000 0.817 321 A CB 1.389 19.334 19.000 -1.758 0.000 1.189 321 A HN 0.051 nan 8.150 nan 0.000 0.489 322 P HA -0.110 nan 4.420 nan 0.000 0.225 322 P C 0.612 177.840 177.300 -0.119 0.000 1.148 322 P CA 1.168 64.116 63.100 -0.253 0.000 0.779 322 P CB -0.071 31.569 31.700 -0.100 0.000 0.780 323 W N -2.181 119.120 121.300 0.003 0.000 3.278 323 W HA 0.541 5.202 4.660 0.002 0.000 0.308 323 W C 0.244 176.782 176.519 0.032 0.000 1.253 323 W CA -0.696 56.662 57.345 0.023 0.000 1.759 323 W CB -0.945 28.547 29.460 0.053 0.000 1.093 323 W HN -0.268 nan 8.180 nan 0.000 0.648 324 M N 2.710 122.238 119.600 -0.120 0.000 2.149 324 M HA 0.255 4.736 4.480 0.002 0.000 0.342 324 M C 0.518 176.780 176.300 -0.064 0.000 1.068 324 M CA -0.097 55.194 55.300 -0.015 0.000 0.991 324 M CB 1.118 33.638 32.600 -0.133 0.000 1.596 324 M HN -0.014 nan 8.290 nan 0.000 0.439 325 D N 3.487 123.865 120.400 -0.036 0.000 2.259 325 D HA 0.038 4.679 4.640 0.002 0.000 0.216 325 D C -0.508 175.538 176.300 -0.424 0.000 0.961 325 D CA 1.258 55.123 54.000 -0.225 0.000 0.878 325 D CB 0.308 40.995 40.800 -0.188 0.000 1.009 325 D HN 0.485 nan 8.370 nan 0.000 0.490 326 Y N -0.449 119.855 120.300 0.007 0.000 2.576 326 Y HA 0.460 5.012 4.550 0.002 0.000 0.346 326 Y C -0.321 175.602 175.900 0.039 0.000 1.018 326 Y CA -1.066 57.054 58.100 0.034 0.000 1.050 326 Y CB 2.461 40.905 38.460 -0.026 0.000 1.280 326 Y HN -0.360 nan 8.280 nan 0.000 0.474 327 V N 3.515 123.572 119.914 0.237 0.000 2.769 327 V HA 0.625 4.747 4.120 0.002 0.000 0.312 327 V C -1.745 174.458 176.094 0.181 0.000 1.061 327 V CA -0.892 61.516 62.300 0.181 0.000 0.931 327 V CB 1.918 33.809 31.823 0.114 0.000 1.010 327 V HN 0.620 nan 8.190 nan 0.000 0.433 328 L N 6.714 128.095 121.223 0.263 0.000 2.276 328 L HA 0.928 5.269 4.340 0.002 0.000 0.286 328 L C 0.266 177.360 176.870 0.373 0.000 1.024 328 L CA 0.923 55.935 54.840 0.287 0.000 0.826 328 L CB 0.727 42.930 42.059 0.239 0.000 1.211 328 L HN 0.815 nan 8.230 nan 0.000 0.422 329 G N 3.115 112.075 108.800 0.267 0.000 3.257 329 G HA2 0.662 4.623 3.960 0.002 0.000 0.205 329 G HA3 0.662 4.623 3.960 0.002 0.000 0.205 329 G C -1.497 173.632 174.900 0.382 0.000 1.234 329 G CA -0.027 45.286 45.100 0.356 0.000 0.918 329 G HN 0.651 nan 8.290 nan 0.000 0.602 330 D N -3.074 117.541 120.400 0.359 0.000 2.596 330 D HA 0.549 5.190 4.640 0.002 0.000 0.262 330 D C 0.846 177.308 176.300 0.269 0.000 1.210 330 D CA 0.086 54.274 54.000 0.314 0.000 0.873 330 D CB 1.192 42.213 40.800 0.368 0.000 1.408 330 D HN 0.615 nan 8.370 nan 0.000 0.441 331 A N -0.012 122.977 122.820 0.281 0.000 1.972 331 A HA -0.043 4.278 4.320 0.002 0.000 0.219 331 A C 1.713 179.390 177.584 0.155 0.000 1.169 331 A CA 1.151 53.309 52.037 0.201 0.000 0.635 331 A CB -0.961 18.161 19.000 0.205 0.000 0.810 331 A HN 0.531 nan 8.150 nan 0.000 0.446 332 F N 0.141 120.169 119.950 0.131 0.000 2.179 332 F HA 0.189 4.717 4.527 0.002 0.000 0.292 332 F C 2.490 178.276 175.800 -0.022 0.000 1.089 332 F CA 1.155 59.146 58.000 -0.016 0.000 1.295 332 F CB -0.193 38.780 39.000 -0.046 0.000 1.041 332 F HN 0.213 nan 8.300 nan 0.000 0.487 333 A N -0.496 122.436 122.820 0.186 0.000 1.968 333 A HA 0.041 4.362 4.320 0.002 0.000 0.217 333 A C 0.795 178.300 177.584 -0.131 0.000 1.169 333 A CA 0.938 52.876 52.037 -0.165 0.000 0.638 333 A CB -0.465 18.150 19.000 -0.642 0.000 0.812 333 A HN 0.285 nan 8.150 nan 0.000 0.446 334 L N 1.202 122.464 121.223 0.064 0.000 2.637 334 L HA 0.377 4.718 4.340 0.002 0.000 0.241 334 L C -2.641 174.249 176.870 0.032 0.000 1.398 334 L CA -2.559 52.353 54.840 0.121 0.000 0.895 334 L CB 1.413 43.561 42.059 0.149 0.000 1.183 334 L HN 0.023 nan 8.230 nan 0.000 0.497 335 P HA 0.293 nan 4.420 nan 0.000 0.274 335 P C -2.231 175.063 177.300 -0.011 0.000 1.246 335 P CA -1.369 61.706 63.100 -0.043 0.000 0.795 335 P CB 0.437 32.062 31.700 -0.126 0.000 1.006 336 P HA -0.241 nan 4.420 nan 0.000 0.218 336 P C 1.471 178.768 177.300 -0.004 0.000 1.152 336 P CA 2.515 65.606 63.100 -0.014 0.000 0.857 336 P CB -0.568 31.122 31.700 -0.016 0.000 0.787 337 A N -1.614 121.209 122.820 0.006 0.000 2.070 337 A HA -0.136 4.186 4.320 0.002 0.000 0.220 337 A C 1.994 179.649 177.584 0.119 0.000 1.159 337 A CA 1.286 53.346 52.037 0.038 0.000 0.656 337 A CB -1.191 17.826 19.000 0.030 0.000 0.800 337 A HN 0.212 nan 8.150 nan 0.000 0.453 338 L N -0.907 120.401 121.223 0.142 0.000 2.590 338 L HA 0.212 4.553 4.340 0.002 0.000 0.227 338 L C 1.732 178.791 176.870 0.315 0.000 1.099 338 L CA 0.892 55.920 54.840 0.315 0.000 0.872 338 L CB -0.307 41.917 42.059 0.275 0.000 1.088 338 L HN 0.406 nan 8.230 nan 0.000 0.479 339 E N 0.593 120.862 120.200 0.115 0.000 2.070 339 E HA -0.226 4.125 4.350 0.002 0.000 0.197 339 E C -0.719 175.896 176.600 0.024 0.000 1.004 339 E CA 1.754 58.187 56.400 0.054 0.000 0.805 339 E CB -1.079 28.593 29.700 -0.046 0.000 0.744 339 E HN 0.475 nan 8.360 nan 0.000 0.451 340 P HA -0.126 nan 4.420 nan 0.000 0.225 340 P C 0.383 177.477 177.300 -0.343 0.000 1.148 340 P CA 1.005 63.904 63.100 -0.336 0.000 0.779 340 P CB -0.091 31.267 31.700 -0.572 0.000 0.780 341 F N -2.904 117.099 119.950 0.089 0.000 2.693 341 F HA 0.179 4.707 4.527 0.002 0.000 0.303 341 F C 0.504 176.234 175.800 -0.117 0.000 1.143 341 F CA -0.259 57.740 58.000 -0.000 0.000 1.389 341 F CB -0.884 38.105 39.000 -0.019 0.000 1.060 341 F HN -0.111 nan 8.300 nan 0.000 0.535 342 Y N -0.441 119.896 120.300 0.062 0.000 2.341 342 Y HA 0.210 4.761 4.550 0.002 0.000 0.338 342 Y C 1.565 177.445 175.900 -0.033 0.000 0.965 342 Y CA -0.799 57.313 58.100 0.020 0.000 1.108 342 Y CB 1.611 40.076 38.460 0.008 0.000 1.180 342 Y HN -0.013 nan 8.280 nan 0.000 0.458 343 S N 0.364 116.078 115.700 0.023 0.000 2.428 343 S HA -0.051 4.420 4.470 0.002 0.000 0.230 343 S C 0.280 174.871 174.600 -0.016 0.000 1.014 343 S CA 0.373 58.555 58.200 -0.031 0.000 0.957 343 S CB -0.216 62.925 63.200 -0.099 0.000 0.784 343 S HN 0.651 nan 8.310 nan 0.000 0.499 344 E N 1.492 121.719 120.200 0.045 0.000 2.392 344 E HA 0.250 4.601 4.350 0.002 0.000 0.256 344 E C 0.069 176.687 176.600 0.030 0.000 1.145 344 E CA -0.374 56.039 56.400 0.021 0.000 0.929 344 E CB 0.206 29.956 29.700 0.084 0.000 0.998 344 E HN 0.327 nan 8.360 nan 0.000 0.442 345 H N 1.164 120.155 119.070 -0.132 0.000 2.722 345 H HA 0.133 4.690 4.556 0.002 0.000 0.328 345 H C -0.912 174.455 175.328 0.064 0.000 1.067 345 H CA -0.303 55.702 56.048 -0.072 0.000 1.447 345 H CB 0.379 30.019 29.762 -0.202 0.000 1.469 345 H HN 0.120 nan 8.280 nan 0.000 0.544 346 V N 8.035 127.946 119.914 -0.004 0.000 2.432 346 V HA 0.147 4.268 4.120 0.002 0.000 0.271 346 V C 0.532 176.790 176.094 0.273 0.000 1.046 346 V CA -0.372 61.977 62.300 0.082 0.000 0.945 346 V CB 0.796 32.557 31.823 -0.104 0.000 0.992 346 V HN 0.527 nan 8.190 nan 0.000 0.471 347 L N 6.025 127.397 121.223 0.248 0.000 2.330 347 L HA 0.721 5.062 4.340 0.002 0.000 0.271 347 L C 0.023 176.965 176.870 0.119 0.000 1.013 347 L CA -0.780 54.165 54.840 0.174 0.000 0.816 347 L CB 1.800 43.917 42.059 0.097 0.000 1.287 347 L HN 0.500 nan 8.230 nan 0.000 0.435 348 R N 1.862 122.419 120.500 0.095 0.000 2.575 348 R HA 0.579 4.920 4.340 0.002 0.000 0.293 348 R C -1.032 175.308 176.300 0.066 0.000 0.983 348 R CA -0.808 55.355 56.100 0.105 0.000 0.887 348 R CB 2.341 32.706 30.300 0.107 0.000 1.184 348 R HN 0.472 nan 8.270 nan 0.000 0.445 349 L N 1.960 123.224 121.223 0.068 0.000 2.476 349 L HA 0.081 4.422 4.340 0.002 0.000 0.255 349 L C 1.459 178.318 176.870 -0.019 0.000 1.218 349 L CA -0.222 54.601 54.840 -0.028 0.000 0.819 349 L CB 0.567 42.557 42.059 -0.116 0.000 1.119 349 L HN 0.524 nan 8.230 nan 0.000 0.485 350 Q N 0.317 120.072 119.800 -0.075 0.000 2.398 350 Q HA 0.130 4.471 4.340 0.002 0.000 0.204 350 Q C 0.599 176.597 176.000 -0.003 0.000 0.932 350 Q CA 0.621 56.414 55.803 -0.017 0.000 0.916 350 Q CB 0.698 29.419 28.738 -0.028 0.000 1.024 350 Q HN 0.869 nan 8.270 nan 0.000 0.504 351 G N 0.006 108.722 108.800 -0.141 0.000 3.211 351 G HA2 0.592 4.553 3.960 0.002 0.000 0.167 351 G HA3 0.592 4.553 3.960 0.002 0.000 0.167 351 G C -1.002 173.470 174.900 -0.712 0.000 1.212 351 G CA -0.096 44.827 45.100 -0.296 0.000 0.928 351 G HN 0.201 nan 8.290 nan 0.000 0.607 352 A N -0.588 121.747 122.820 -0.809 0.000 2.445 352 A HA 0.434 4.755 4.320 0.002 0.000 0.242 352 A C 0.877 178.486 177.584 0.042 0.000 1.075 352 A CA 0.184 51.967 52.037 -0.423 0.000 0.777 352 A CB -0.215 18.651 19.000 -0.223 0.000 1.013 352 A HN 1.236 nan 8.150 nan 0.000 0.493 353 F N 0.038 120.105 119.950 0.195 0.000 2.546 353 F HA 0.067 4.595 4.527 0.002 0.000 0.298 353 F C 0.890 177.095 175.800 0.675 0.000 1.120 353 F CA 0.708 58.995 58.000 0.478 0.000 1.456 353 F CB 0.033 39.390 39.000 0.595 0.000 1.088 353 F HN 0.580 nan 8.300 nan 0.000 0.572 354 Q N 3.527 123.020 119.800 -0.511 0.000 2.347 354 Q HA 0.342 4.683 4.340 0.002 0.000 0.262 354 Q C -2.493 173.266 176.000 -0.401 0.000 0.980 354 Q CA -2.743 52.641 55.803 -0.698 0.000 0.867 354 Q CB 1.800 29.894 28.738 -1.073 0.000 1.242 354 Q HN 0.037 nan 8.270 nan 0.000 0.453 355 P HA 0.231 nan 4.420 nan 0.000 0.289 355 P C -1.031 175.946 177.300 -0.539 0.000 1.299 355 P CA -0.235 62.328 63.100 -0.895 0.000 0.766 355 P CB 1.142 32.158 31.700 -1.140 0.000 1.226 356 S N -2.303 113.122 115.700 -0.459 0.000 2.611 356 S HA 0.304 4.775 4.470 0.002 0.000 0.268 356 S C -1.469 172.894 174.600 -0.395 0.000 1.156 356 S CA -0.750 57.237 58.200 -0.354 0.000 0.817 356 S CB 0.827 63.905 63.200 -0.203 0.000 1.122 356 S HN 0.360 nan 8.310 nan 0.000 0.466 357 D N 1.469 121.614 120.400 -0.424 0.000 2.494 357 D HA 0.299 4.940 4.640 0.002 0.000 0.217 357 D C 1.385 177.311 176.300 -0.624 0.000 1.153 357 D CA -0.041 53.713 54.000 -0.410 0.000 0.954 357 D CB 0.461 41.087 40.800 -0.290 0.000 1.034 357 D HN 0.661 nan 8.370 nan 0.000 0.518 358 T N -0.944 113.223 114.554 -0.644 0.000 3.215 358 T HA -0.083 4.268 4.350 0.002 0.000 0.254 358 T C 1.600 176.052 174.700 -0.413 0.000 1.149 358 T CA 0.452 61.990 62.100 -0.936 0.000 1.042 358 T CB -0.252 68.293 68.868 -0.539 0.000 0.966 358 T HN 0.207 nan 8.240 nan 0.000 0.534 359 S N 0.501 116.051 115.700 -0.250 0.000 2.562 359 S HA 0.129 4.600 4.470 0.002 0.000 0.221 359 S C 0.889 175.505 174.600 0.027 0.000 0.975 359 S CA -0.688 57.471 58.200 -0.067 0.000 0.918 359 S CB -0.389 62.774 63.200 -0.062 0.000 0.772 359 S HN 0.500 nan 8.310 nan 0.000 0.531 360 R N 1.596 122.105 120.500 0.014 0.000 2.316 360 R HA 0.360 4.701 4.340 0.002 0.000 0.314 360 R C -0.816 175.663 176.300 0.298 0.000 1.069 360 R CA -0.319 55.870 56.100 0.148 0.000 0.959 360 R CB 0.803 31.181 30.300 0.129 0.000 0.987 360 R HN 0.133 nan 8.270 nan 0.000 0.446 361 V N 4.758 124.770 119.914 0.163 0.000 2.572 361 V HA 0.018 4.139 4.120 0.002 0.000 0.291 361 V C 0.363 176.506 176.094 0.082 0.000 1.039 361 V CA -0.097 62.265 62.300 0.103 0.000 1.055 361 V CB 1.427 33.283 31.823 0.055 0.000 0.969 361 V HN 0.450 nan 8.190 nan 0.000 0.482 362 V N 5.970 125.895 119.914 0.019 0.000 2.348 362 V HA 0.518 4.639 4.120 0.002 0.000 0.270 362 V C 0.746 176.821 176.094 -0.032 0.000 1.037 362 V CA -0.431 61.860 62.300 -0.015 0.000 0.872 362 V CB 0.910 32.683 31.823 -0.084 0.000 1.002 362 V HN 1.026 nan 8.190 nan 0.000 0.464 363 A N 4.006 126.814 122.820 -0.019 0.000 2.366 363 A HA 0.373 4.694 4.320 0.002 0.000 0.250 363 A C 0.382 177.941 177.584 -0.041 0.000 1.099 363 A CA -0.169 51.855 52.037 -0.023 0.000 0.794 363 A CB 0.168 19.162 19.000 -0.010 0.000 1.056 363 A HN 0.890 nan 8.150 nan 0.000 0.499 364 E N 1.045 121.225 120.200 -0.034 0.000 2.223 364 E HA 0.378 4.729 4.350 0.002 0.000 0.282 364 E C -2.060 174.516 176.600 -0.041 0.000 1.046 364 E CA -1.454 54.921 56.400 -0.043 0.000 0.857 364 E CB 0.537 30.226 29.700 -0.018 0.000 1.055 364 E HN 0.470 nan 8.360 nan 0.000 0.409 365 P HA 0.321 nan 4.420 nan 0.000 0.279 365 P C -2.512 174.817 177.300 0.047 0.000 1.276 365 P CA -1.411 61.664 63.100 -0.041 0.000 0.801 365 P CB -0.154 31.467 31.700 -0.130 0.000 1.127 366 P HA 0.008 nan 4.420 nan 0.000 0.271 366 P C 0.268 177.706 177.300 0.229 0.000 1.238 366 P CA -0.047 63.126 63.100 0.123 0.000 0.794 366 P CB -0.115 31.646 31.700 0.103 0.000 0.959 367 S N 0.156 115.938 115.700 0.137 0.000 2.572 367 S HA 0.024 4.495 4.470 0.002 0.000 0.267 367 S C 1.355 175.924 174.600 -0.051 0.000 1.361 367 S CA -0.085 58.159 58.200 0.074 0.000 1.009 367 S CB 0.219 63.415 63.200 -0.006 0.000 0.888 367 S HN 0.309 nan 8.310 nan 0.000 0.553 368 R N 0.559 120.834 120.500 -0.374 0.000 2.096 368 R HA -0.082 4.259 4.340 0.002 0.000 0.240 368 R C 2.565 178.711 176.300 -0.256 0.000 1.139 368 R CA 2.368 58.159 56.100 -0.515 0.000 0.952 368 R CB -1.217 28.753 30.300 -0.549 0.000 0.854 368 R HN 0.889 nan 8.270 nan 0.000 0.436 369 T N 0.732 115.185 114.554 -0.169 0.000 2.684 369 T HA -0.164 4.187 4.350 0.002 0.000 0.267 369 T C 1.634 176.296 174.700 -0.062 0.000 1.036 369 T CA 1.117 63.153 62.100 -0.107 0.000 1.148 369 T CB -0.176 68.647 68.868 -0.076 0.000 0.863 369 T HN 0.230 nan 8.240 nan 0.000 0.436 370 Q N 0.118 119.900 119.800 -0.030 0.000 2.364 370 Q HA -0.015 4.326 4.340 0.002 0.000 0.209 370 Q C 2.186 178.209 176.000 0.038 0.000 0.977 370 Q CA 0.751 56.561 55.803 0.013 0.000 0.885 370 Q CB -0.632 28.129 28.738 0.039 0.000 0.941 370 Q HN 0.583 nan 8.270 nan 0.000 0.464 371 C N -0.829 118.485 119.300 0.024 0.000 2.791 371 C HA 0.380 4.842 4.460 0.002 0.000 0.270 371 C C 1.504 176.491 174.990 -0.005 0.000 1.257 371 C CA 0.184 59.251 59.018 0.081 0.000 1.699 371 C CB -0.419 27.426 27.740 0.175 0.000 1.904 371 C HN 0.656 nan 8.230 nan 0.000 0.603 372 G N 0.827 109.589 108.800 -0.063 0.000 2.141 372 G HA2 -0.203 3.759 3.960 0.002 0.000 0.231 372 G HA3 -0.203 3.759 3.960 0.002 0.000 0.231 372 G C -0.169 174.627 174.900 -0.174 0.000 0.984 372 G CA -0.128 44.927 45.100 -0.074 0.000 0.660 372 G HN 0.500 nan 8.290 nan 0.000 0.525 373 L N 1.475 122.531 121.223 -0.278 0.000 2.344 373 L HA 0.592 4.933 4.340 0.002 0.000 0.272 373 L C -1.628 175.090 176.870 -0.253 0.000 1.035 373 L CA -2.570 52.058 54.840 -0.354 0.000 0.807 373 L CB 1.523 43.234 42.059 -0.580 0.000 1.237 373 L HN -0.082 nan 8.230 nan 0.000 0.442 374 P HA 0.060 nan 4.420 nan 0.000 0.271 374 P C -0.258 176.930 177.300 -0.187 0.000 1.216 374 P CA -0.189 62.814 63.100 -0.161 0.000 0.776 374 P CB 0.929 32.551 31.700 -0.129 0.000 0.881 375 E N 1.324 121.430 120.200 -0.157 0.000 2.274 375 E HA -0.115 4.236 4.350 0.002 0.000 0.194 375 E C 0.930 177.449 176.600 -0.135 0.000 0.996 375 E CA 1.163 57.466 56.400 -0.161 0.000 0.840 375 E CB 0.168 29.794 29.700 -0.124 0.000 0.772 375 E HN 0.511 nan 8.360 nan 0.000 0.491 376 Q N -0.349 119.385 119.800 -0.111 0.000 2.159 376 Q HA 0.235 4.576 4.340 0.002 0.000 0.217 376 Q C 0.453 176.403 176.000 -0.083 0.000 0.818 376 Q CA -0.016 55.734 55.803 -0.087 0.000 1.008 376 Q CB 1.499 30.196 28.738 -0.069 0.000 1.148 376 Q HN 0.040 nan 8.270 nan 0.000 0.491 377 G N -0.179 108.561 108.800 -0.099 0.000 2.471 377 G HA2 0.464 4.425 3.960 0.002 0.000 0.332 377 G HA3 0.464 4.425 3.960 0.002 0.000 0.332 377 G C -0.585 174.263 174.900 -0.086 0.000 1.176 377 G CA -0.413 44.634 45.100 -0.087 0.000 0.949 377 G HN -0.011 nan 8.290 nan 0.000 0.488 378 V N 0.749 120.623 119.914 -0.066 0.000 2.470 378 V HA 0.222 4.343 4.120 0.002 0.000 0.276 378 V C 0.490 176.552 176.094 -0.053 0.000 1.040 378 V CA -0.282 61.987 62.300 -0.052 0.000 1.008 378 V CB 1.071 32.872 31.823 -0.036 0.000 0.990 378 V HN 0.540 nan 8.190 nan 0.000 0.477 379 V N 8.109 127.998 119.914 -0.043 0.000 2.333 379 V HA 0.504 4.625 4.120 0.002 0.000 0.274 379 V C -0.250 175.861 176.094 0.028 0.000 1.028 379 V CA -0.387 61.893 62.300 -0.032 0.000 0.851 379 V CB 1.005 32.762 31.823 -0.110 0.000 1.000 379 V HN 0.702 nan 8.190 nan 0.000 0.456 380 L N 7.234 128.461 121.223 0.007 0.000 2.292 380 L HA 0.544 4.885 4.340 0.002 0.000 0.284 380 L C 0.069 176.918 176.870 -0.036 0.000 1.065 380 L CA -0.226 54.607 54.840 -0.011 0.000 0.806 380 L CB 1.268 43.312 42.059 -0.025 0.000 1.175 380 L HN 0.766 nan 8.230 nan 0.000 0.431 381 C N 3.577 122.787 119.300 -0.150 0.000 2.455 381 C HA 0.672 5.133 4.460 0.002 0.000 0.320 381 C C -0.101 174.438 174.990 -0.751 0.000 1.226 381 C CA -0.750 58.028 59.018 -0.400 0.000 1.569 381 C CB 0.822 28.285 27.740 -0.462 0.000 2.200 381 C HN 0.990 nan 8.230 nan 0.000 0.491 382 C N 7.843 126.727 119.300 -0.694 0.000 3.287 382 C HA 0.564 5.025 4.460 0.002 0.000 0.260 382 C C -1.176 173.665 174.990 -0.248 0.000 1.133 382 C CA -0.575 58.002 59.018 -0.734 0.000 1.402 382 C CB -1.370 26.159 27.740 -0.351 0.000 1.832 382 C HN 0.795 nan 8.230 nan 0.000 0.509 383 F N 4.530 124.381 119.950 -0.165 0.000 2.421 383 F HA 0.574 5.102 4.527 0.002 0.000 0.358 383 F C 0.630 176.536 175.800 0.177 0.000 1.115 383 F CA 0.069 58.100 58.000 0.051 0.000 1.160 383 F CB 0.502 39.623 39.000 0.202 0.000 1.123 383 F HN 0.565 nan 8.300 nan 0.000 0.508 384 N N 1.468 120.308 118.700 0.233 0.000 3.046 384 N HA 0.202 4.943 4.740 0.002 0.000 0.243 384 N C -1.269 174.202 175.510 -0.065 0.000 1.452 384 N CA -0.969 52.141 53.050 0.100 0.000 0.882 384 N CB 1.400 39.920 38.487 0.055 0.000 1.425 384 N HN 0.442 nan 8.380 nan 0.000 0.517 385 N N -0.728 117.832 118.700 -0.233 0.000 2.492 385 N HA 0.017 4.758 4.740 0.002 0.000 0.260 385 N C 1.300 176.517 175.510 -0.489 0.000 1.215 385 N CA 0.183 52.964 53.050 -0.447 0.000 0.923 385 N CB 0.794 38.769 38.487 -0.853 0.000 1.092 385 N HN 0.539 nan 8.380 nan 0.000 0.448 386 S N 1.579 117.083 115.700 -0.326 0.000 2.383 386 S HA -0.280 4.191 4.470 0.002 0.000 0.229 386 S C 1.758 176.280 174.600 -0.131 0.000 1.030 386 S CA 1.278 59.385 58.200 -0.156 0.000 1.002 386 S CB -0.771 62.387 63.200 -0.070 0.000 0.829 386 S HN 0.777 nan 8.310 nan 0.000 0.467 387 Y N 1.587 121.896 120.300 0.015 0.000 2.574 387 Y HA 0.299 4.850 4.550 0.002 0.000 0.294 387 Y C 1.825 177.737 175.900 0.019 0.000 1.142 387 Y CA 0.278 58.401 58.100 0.037 0.000 1.314 387 Y CB -0.644 37.852 38.460 0.060 0.000 0.991 387 Y HN 0.156 nan 8.280 nan 0.000 0.555 388 K N 0.042 120.267 120.400 -0.292 0.000 2.365 388 K HA 0.086 4.407 4.320 0.002 0.000 0.197 388 K C -0.204 176.367 176.600 -0.049 0.000 1.042 388 K CA 0.112 56.309 56.287 -0.149 0.000 0.987 388 K CB 0.102 32.428 32.500 -0.290 0.000 0.779 388 K HN 0.164 nan 8.250 nan 0.000 0.484 389 L N 3.388 124.605 121.223 -0.010 0.000 2.387 389 L HA 0.070 4.411 4.340 0.002 0.000 0.267 389 L C -0.128 176.828 176.870 0.143 0.000 1.197 389 L CA -0.290 54.594 54.840 0.073 0.000 1.070 389 L CB -0.877 41.257 42.059 0.124 0.000 1.349 389 L HN 0.170 nan 8.230 nan 0.000 0.422 390 N N 2.385 121.048 118.700 -0.062 0.000 2.448 390 N HA 0.449 5.190 4.740 0.002 0.000 0.274 390 N C -2.126 172.947 175.510 -0.729 0.000 1.239 390 N CA -2.102 50.712 53.050 -0.393 0.000 0.982 390 N CB -0.132 38.154 38.487 -0.336 0.000 1.199 390 N HN -0.084 nan 8.380 nan 0.000 0.576 391 P HA -0.178 nan 4.420 nan 0.000 0.216 391 P C 1.357 178.419 177.300 -0.397 0.000 1.150 391 P CA 1.584 63.999 63.100 -1.142 0.000 0.837 391 P CB 0.181 31.271 31.700 -1.017 0.000 0.786 392 Q N -0.390 119.229 119.800 -0.303 0.000 2.050 392 Q HA -0.132 4.209 4.340 0.002 0.000 0.202 392 Q C 1.977 177.912 176.000 -0.109 0.000 0.980 392 Q CA 2.024 57.739 55.803 -0.146 0.000 0.840 392 Q CB -0.389 28.278 28.738 -0.119 0.000 0.898 392 Q HN 0.111 nan 8.270 nan 0.000 0.424 393 S N 0.176 115.803 115.700 -0.122 0.000 2.371 393 S HA -0.075 4.396 4.470 0.002 0.000 0.224 393 S C 1.911 176.507 174.600 -0.008 0.000 1.029 393 S CA 1.084 59.226 58.200 -0.096 0.000 0.978 393 S CB -0.073 63.087 63.200 -0.067 0.000 0.833 393 S HN 0.382 nan 8.310 nan 0.000 0.466 394 M N 1.433 121.067 119.600 0.056 0.000 2.132 394 M HA 0.028 4.509 4.480 0.002 0.000 0.263 394 M C 2.527 179.004 176.300 0.294 0.000 1.065 394 M CA 1.339 56.776 55.300 0.228 0.000 1.122 394 M CB -1.653 31.184 32.600 0.396 0.000 1.365 394 M HN 0.372 nan 8.290 nan 0.000 0.411 395 A N 1.173 124.166 122.820 0.289 0.000 1.908 395 A HA -0.210 4.111 4.320 0.002 0.000 0.218 395 A C 2.262 179.920 177.584 0.122 0.000 1.181 395 A CA 2.083 54.263 52.037 0.239 0.000 0.627 395 A CB -0.751 18.369 19.000 0.201 0.000 0.818 395 A HN 0.616 nan 8.150 nan 0.000 0.445 396 R N -0.721 119.824 120.500 0.075 0.000 2.115 396 R HA -0.014 4.327 4.340 0.002 0.000 0.230 396 R C 1.926 178.339 176.300 0.188 0.000 1.111 396 R CA 1.741 57.894 56.100 0.087 0.000 0.976 396 R CB -0.489 29.779 30.300 -0.052 0.000 0.870 396 R HN 0.488 nan 8.270 nan 0.000 0.445 397 M N 1.046 120.751 119.600 0.174 0.000 2.132 397 M HA -0.042 4.439 4.480 0.002 0.000 0.263 397 M C 2.255 178.629 176.300 0.123 0.000 1.065 397 M CA 1.532 56.945 55.300 0.188 0.000 1.122 397 M CB -0.203 32.484 32.600 0.145 0.000 1.365 397 M HN 0.111 nan 8.290 nan 0.000 0.411 398 L N -0.120 121.170 121.223 0.112 0.000 2.191 398 L HA -0.127 4.214 4.340 0.002 0.000 0.212 398 L C 2.763 179.656 176.870 0.038 0.000 1.103 398 L CA 0.759 55.636 54.840 0.062 0.000 0.769 398 L CB -0.830 41.252 42.059 0.039 0.000 0.908 398 L HN 0.294 nan 8.230 nan 0.000 0.438 399 A N -0.307 122.548 122.820 0.059 0.000 1.969 399 A HA -0.101 4.220 4.320 0.002 0.000 0.218 399 A C 2.318 179.927 177.584 0.041 0.000 1.169 399 A CA 1.374 53.437 52.037 0.043 0.000 0.635 399 A CB -0.587 18.449 19.000 0.060 0.000 0.810 399 A HN 0.185 nan 8.150 nan 0.000 0.445 400 V N 0.558 120.507 119.914 0.059 0.000 2.295 400 V HA -0.263 3.858 4.120 0.002 0.000 0.246 400 V C 2.530 178.630 176.094 0.010 0.000 1.049 400 V CA 1.898 64.216 62.300 0.029 0.000 1.024 400 V CB -0.899 30.939 31.823 0.024 0.000 0.648 400 V HN 0.583 nan 8.190 nan 0.000 0.447 401 L N -0.547 120.684 121.223 0.013 0.000 2.079 401 L HA -0.197 4.144 4.340 0.002 0.000 0.210 401 L C 2.774 179.637 176.870 -0.011 0.000 1.081 401 L CA 1.683 56.522 54.840 -0.003 0.000 0.752 401 L CB -0.763 41.296 42.059 -0.001 0.000 0.896 401 L HN 0.274 nan 8.230 nan 0.000 0.433 402 R N 0.179 120.672 120.500 -0.011 0.000 2.092 402 R HA -0.120 4.221 4.340 0.002 0.000 0.231 402 R C 2.085 178.375 176.300 -0.016 0.000 1.119 402 R CA 1.128 57.217 56.100 -0.019 0.000 0.970 402 R CB -0.105 30.180 30.300 -0.023 0.000 0.864 402 R HN 0.480 nan 8.270 nan 0.000 0.440 403 E N 0.064 120.258 120.200 -0.010 0.000 2.285 403 E HA -0.029 4.322 4.350 0.002 0.000 0.194 403 E C -0.141 176.450 176.600 -0.015 0.000 0.997 403 E CA 0.572 56.965 56.400 -0.011 0.000 0.845 403 E CB 0.514 30.210 29.700 -0.007 0.000 0.782 403 E HN 0.021 nan 8.360 nan 0.000 0.491 404 V N 3.150 123.054 119.914 -0.017 0.000 2.340 404 V HA 0.073 4.195 4.120 0.002 0.000 0.277 404 V C -1.606 174.474 176.094 -0.023 0.000 1.017 404 V CA -1.241 61.047 62.300 -0.020 0.000 0.820 404 V CB 1.340 33.150 31.823 -0.022 0.000 1.028 404 V HN -0.042 nan 8.190 nan 0.000 0.436 405 P HA -0.217 nan 4.420 nan 0.000 0.218 405 P C 0.619 177.901 177.300 -0.030 0.000 1.165 405 P CA 1.651 64.736 63.100 -0.026 0.000 0.922 405 P CB 0.378 32.064 31.700 -0.025 0.000 0.794 406 D N -0.687 119.693 120.400 -0.033 0.000 2.342 406 D HA 0.047 4.688 4.640 0.002 0.000 0.221 406 D C 0.753 177.024 176.300 -0.048 0.000 1.101 406 D CA 0.222 54.198 54.000 -0.041 0.000 0.837 406 D CB 0.008 40.782 40.800 -0.043 0.000 0.938 406 D HN 0.280 nan 8.370 nan 0.000 0.508 407 S N -0.368 115.307 115.700 -0.042 0.000 2.617 407 S HA 0.482 4.953 4.470 0.002 0.000 0.269 407 S C -0.031 174.539 174.600 -0.049 0.000 1.292 407 S CA -0.617 57.556 58.200 -0.045 0.000 1.010 407 S CB 2.531 65.711 63.200 -0.033 0.000 0.944 407 S HN -0.071 nan 8.310 nan 0.000 0.536 408 V N 1.652 121.530 119.914 -0.059 0.000 3.040 408 V HA 0.680 4.801 4.120 0.002 0.000 0.312 408 V C -1.514 174.551 176.094 -0.047 0.000 1.115 408 V CA -1.134 61.127 62.300 -0.065 0.000 0.998 408 V CB 2.075 33.834 31.823 -0.106 0.000 1.042 408 V HN 0.972 nan 8.190 nan 0.000 0.433 409 L N 4.767 125.965 121.223 -0.041 0.000 2.280 409 L HA 0.593 4.934 4.340 0.002 0.000 0.287 409 L C -1.415 175.463 176.870 0.014 0.000 1.023 409 L CA -0.118 54.709 54.840 -0.021 0.000 0.819 409 L CB 1.267 43.310 42.059 -0.026 0.000 1.212 409 L HN 0.775 nan 8.230 nan 0.000 0.420 410 W N 7.593 128.799 121.300 -0.157 0.000 2.314 410 W HA 0.601 5.262 4.660 0.002 0.000 0.310 410 W C -1.522 174.984 176.519 -0.021 0.000 1.075 410 W CA -1.168 56.123 57.345 -0.091 0.000 1.253 410 W CB 0.870 30.300 29.460 -0.050 0.000 1.238 410 W HN 0.408 nan 8.180 nan 0.000 0.440 411 L N 5.721 127.058 121.223 0.190 0.000 2.333 411 L HA 0.482 4.823 4.340 0.002 0.000 0.263 411 L C -0.007 176.959 176.870 0.159 0.000 1.014 411 L CA -1.479 53.431 54.840 0.116 0.000 0.820 411 L CB 1.827 43.832 42.059 -0.089 0.000 1.352 411 L HN 0.053 nan 8.230 nan 0.000 0.421 412 L N 0.969 122.271 121.223 0.133 0.000 2.380 412 L HA 0.160 4.501 4.340 0.002 0.000 0.273 412 L C 0.788 177.772 176.870 0.190 0.000 1.138 412 L CA 0.101 54.945 54.840 0.006 0.000 0.832 412 L CB 1.353 43.367 42.059 -0.075 0.000 1.124 412 L HN 0.608 nan 8.230 nan 0.000 0.454 413 S N 1.683 117.499 115.700 0.194 0.000 2.563 413 S HA 0.226 4.697 4.470 0.002 0.000 0.294 413 S C 0.352 174.980 174.600 0.047 0.000 1.279 413 S CA -0.199 58.099 58.200 0.164 0.000 1.069 413 S CB 0.306 63.550 63.200 0.074 0.000 0.828 413 S HN 0.734 nan 8.310 nan 0.000 0.497 414 G N 4.437 113.237 108.800 -0.000 0.000 2.552 414 G HA2 0.659 4.620 3.960 0.002 0.000 0.318 414 G HA3 0.659 4.620 3.960 0.002 0.000 0.318 414 G C -2.775 172.081 174.900 -0.073 0.000 1.240 414 G CA -1.316 43.762 45.100 -0.037 0.000 1.002 414 G HN 0.607 nan 8.290 nan 0.000 0.493 415 P HA 0.402 nan 4.420 nan 0.000 0.276 415 P C 0.883 178.120 177.300 -0.105 0.000 1.244 415 P CA 0.892 63.943 63.100 -0.082 0.000 0.801 415 P CB 1.048 32.682 31.700 -0.110 0.000 1.006 416 G N 2.169 110.932 108.800 -0.061 0.000 2.574 416 G HA2 -0.269 3.692 3.960 0.002 0.000 0.286 416 G HA3 -0.269 3.692 3.960 0.002 0.000 0.286 416 G C 0.229 175.076 174.900 -0.088 0.000 1.212 416 G CA 0.068 45.134 45.100 -0.056 0.000 0.979 416 G HN 0.616 nan 8.290 nan 0.000 0.557 417 E N 1.336 121.476 120.200 -0.100 0.000 2.370 417 E HA 0.434 4.785 4.350 0.002 0.000 0.194 417 E C 2.073 178.572 176.600 -0.167 0.000 1.057 417 E CA 0.493 56.818 56.400 -0.125 0.000 1.011 417 E CB 0.313 29.954 29.700 -0.099 0.000 1.132 417 E HN 0.748 nan 8.360 nan 0.000 0.450 418 A N 2.048 124.763 122.820 -0.176 0.000 1.873 418 A HA -0.265 4.056 4.320 0.002 0.000 0.218 418 A C 1.678 179.138 177.584 -0.207 0.000 1.193 418 A CA 1.920 53.844 52.037 -0.188 0.000 0.629 418 A CB -0.253 18.658 19.000 -0.148 0.000 0.826 418 A HN 0.131 nan 8.150 nan 0.000 0.447 419 D N 0.248 120.448 120.400 -0.334 0.000 2.123 419 D HA -0.089 4.552 4.640 0.002 0.000 0.196 419 D C 2.150 178.234 176.300 -0.361 0.000 0.992 419 D CA 1.629 55.232 54.000 -0.663 0.000 0.833 419 D CB -0.690 39.217 40.800 -1.488 0.000 0.954 419 D HN 0.472 nan 8.370 nan 0.000 0.455 420 A N 0.939 123.600 122.820 -0.265 0.000 1.940 420 A HA -0.202 4.120 4.320 0.002 0.000 0.219 420 A C 2.195 179.722 177.584 -0.095 0.000 1.176 420 A CA 1.372 53.321 52.037 -0.146 0.000 0.631 420 A CB -0.459 18.465 19.000 -0.127 0.000 0.814 420 A HN 0.115 nan 8.150 nan 0.000 0.446 421 R N -0.685 119.731 120.500 -0.139 0.000 2.092 421 R HA 0.022 4.363 4.340 0.002 0.000 0.231 421 R C 2.014 178.237 176.300 -0.128 0.000 1.119 421 R CA 1.268 57.265 56.100 -0.172 0.000 0.970 421 R CB -0.408 29.711 30.300 -0.301 0.000 0.864 421 R HN 0.520 nan 8.270 nan 0.000 0.440 422 L N 0.060 121.250 121.223 -0.054 0.000 2.056 422 L HA -0.130 4.211 4.340 0.002 0.000 0.207 422 L C 2.515 179.525 176.870 0.233 0.000 1.078 422 L CA 1.263 56.175 54.840 0.119 0.000 0.749 422 L CB -0.431 41.787 42.059 0.265 0.000 0.901 422 L HN 0.152 nan 8.230 nan 0.000 0.433 423 R N 0.290 120.921 120.500 0.219 0.000 2.096 423 R HA -0.196 4.145 4.340 0.002 0.000 0.240 423 R C 2.441 178.834 176.300 0.155 0.000 1.139 423 R CA 1.559 57.775 56.100 0.193 0.000 0.952 423 R CB -0.630 29.756 30.300 0.144 0.000 0.854 423 R HN 0.367 nan 8.270 nan 0.000 0.436 424 A N 0.861 123.746 122.820 0.109 0.000 1.902 424 A HA -0.202 4.119 4.320 0.002 0.000 0.217 424 A C 1.985 179.691 177.584 0.204 0.000 1.181 424 A CA 1.216 53.323 52.037 0.116 0.000 0.623 424 A CB -0.649 18.386 19.000 0.057 0.000 0.818 424 A HN 0.358 nan 8.150 nan 0.000 0.443 425 F N 0.980 120.964 119.950 0.057 0.000 2.171 425 F HA -0.059 4.469 4.527 0.002 0.000 0.300 425 F C 2.499 178.380 175.800 0.135 0.000 1.090 425 F CA 0.924 58.990 58.000 0.110 0.000 1.293 425 F CB -0.482 38.596 39.000 0.130 0.000 1.013 425 F HN 0.249 nan 8.300 nan 0.000 0.486 426 A N -0.848 122.053 122.820 0.135 0.000 1.902 426 A HA -0.268 4.053 4.320 0.002 0.000 0.217 426 A C 2.053 179.626 177.584 -0.018 0.000 1.181 426 A CA 1.956 54.007 52.037 0.023 0.000 0.623 426 A CB -1.375 17.692 19.000 0.110 0.000 0.818 426 A HN 0.605 nan 8.150 nan 0.000 0.443 427 H N -0.167 118.890 119.070 -0.021 0.000 2.353 427 H HA 0.024 4.581 4.556 0.002 0.000 0.300 427 H C 2.105 177.399 175.328 -0.056 0.000 1.090 427 H CA 1.827 57.860 56.048 -0.024 0.000 1.327 427 H CB -0.139 29.626 29.762 0.005 0.000 1.383 427 H HN 0.412 nan 8.280 nan 0.000 0.508 428 A N -0.150 122.678 122.820 0.014 0.000 2.119 428 A HA -0.079 4.242 4.320 0.002 0.000 0.217 428 A C 1.792 179.266 177.584 -0.183 0.000 1.153 428 A CA 1.066 53.074 52.037 -0.048 0.000 0.692 428 A CB -0.005 19.010 19.000 0.025 0.000 0.799 428 A HN 0.489 nan 8.150 nan 0.000 0.458 429 Q N -1.113 118.514 119.800 -0.289 0.000 2.246 429 Q HA 0.209 4.550 4.340 0.002 0.000 0.202 429 Q C 0.811 176.697 176.000 -0.190 0.000 0.883 429 Q CA 0.524 56.148 55.803 -0.298 0.000 0.952 429 Q CB 0.297 28.756 28.738 -0.466 0.000 1.078 429 Q HN 0.867 nan 8.270 nan 0.000 0.493 430 G N 0.579 109.262 108.800 -0.194 0.000 2.160 430 G HA2 -0.230 3.731 3.960 0.002 0.000 0.244 430 G HA3 -0.230 3.731 3.960 0.002 0.000 0.244 430 G C -0.076 174.741 174.900 -0.139 0.000 1.022 430 G CA 0.255 45.252 45.100 -0.172 0.000 0.741 430 G HN 0.210 nan 8.290 nan 0.000 0.508 431 V N 0.213 120.049 119.914 -0.131 0.000 2.540 431 V HA 0.475 4.596 4.120 0.002 0.000 0.302 431 V C 0.151 176.226 176.094 -0.031 0.000 1.035 431 V CA -0.810 61.450 62.300 -0.066 0.000 0.873 431 V CB 1.925 33.725 31.823 -0.039 0.000 0.992 431 V HN 0.388 nan 8.190 nan 0.000 0.428 432 D N 3.673 124.069 120.400 -0.008 0.000 2.472 432 D HA 0.194 4.835 4.640 0.002 0.000 0.248 432 D C 1.133 177.475 176.300 0.071 0.000 1.174 432 D CA 0.670 54.698 54.000 0.046 0.000 0.883 432 D CB 1.739 42.556 40.800 0.029 0.000 1.149 432 D HN 0.679 nan 8.370 nan 0.000 0.488 433 A N 3.924 126.818 122.820 0.125 0.000 2.070 433 A HA -0.210 4.112 4.320 0.002 0.000 0.220 433 A C 1.796 179.444 177.584 0.107 0.000 1.159 433 A CA 1.241 53.355 52.037 0.128 0.000 0.656 433 A CB -0.445 18.641 19.000 0.145 0.000 0.800 433 A HN 0.792 nan 8.150 nan 0.000 0.453 434 Q N -0.546 119.301 119.800 0.077 0.000 2.436 434 Q HA -0.032 4.309 4.340 0.002 0.000 0.209 434 Q C 1.610 177.628 176.000 0.030 0.000 0.965 434 Q CA 0.751 56.589 55.803 0.058 0.000 0.910 434 Q CB -0.142 28.619 28.738 0.037 0.000 0.980 434 Q HN 0.621 nan 8.270 nan 0.000 0.491 435 R N 0.338 120.851 120.500 0.022 0.000 2.299 435 R HA 0.127 4.468 4.340 0.002 0.000 0.197 435 R C 0.130 176.412 176.300 -0.029 0.000 0.971 435 R CA 0.160 56.254 56.100 -0.011 0.000 1.030 435 R CB 0.160 30.454 30.300 -0.010 0.000 0.932 435 R HN 0.179 nan 8.270 nan 0.000 0.477 436 L N 1.868 123.083 121.223 -0.015 0.000 2.281 436 L HA 0.283 4.625 4.340 0.002 0.000 0.285 436 L C -0.370 176.401 176.870 -0.165 0.000 1.074 436 L CA -0.497 54.266 54.840 -0.127 0.000 0.817 436 L CB 1.425 43.414 42.059 -0.116 0.000 1.168 436 L HN -0.183 nan 8.230 nan 0.000 0.434 437 V N 3.965 123.752 119.914 -0.212 0.000 2.459 437 V HA 0.425 4.546 4.120 0.002 0.000 0.295 437 V C -0.450 175.644 176.094 -0.001 0.000 1.029 437 V CA -0.426 61.844 62.300 -0.051 0.000 0.874 437 V CB 1.737 33.509 31.823 -0.085 0.000 0.985 437 V HN 0.371 nan 8.190 nan 0.000 0.438 438 F N 4.037 124.136 119.950 0.248 0.000 2.426 438 F HA 0.540 5.068 4.527 0.002 0.000 0.348 438 F C 0.313 176.242 175.800 0.216 0.000 1.124 438 F CA -0.456 57.673 58.000 0.215 0.000 1.008 438 F CB 1.743 40.808 39.000 0.108 0.000 1.139 438 F HN 0.347 nan 8.300 nan 0.000 0.452 439 M N 7.122 126.894 119.600 0.287 0.000 2.162 439 M HA 0.322 4.803 4.480 0.002 0.000 0.356 439 M C -2.283 174.052 176.300 0.059 0.000 1.303 439 M CA -1.598 53.785 55.300 0.138 0.000 1.116 439 M CB 1.141 33.601 32.600 -0.233 0.000 1.632 439 M HN 0.286 nan 8.290 nan 0.000 0.469 440 P HA 0.136 nan 4.420 nan 0.000 0.277 440 P C -1.492 175.795 177.300 -0.022 0.000 1.276 440 P CA -0.379 62.739 63.100 0.030 0.000 0.788 440 P CB 0.504 32.230 31.700 0.044 0.000 1.114 441 K N 0.527 120.913 120.400 -0.023 0.000 2.322 441 K HA 0.369 4.690 4.320 0.002 0.000 0.283 441 K C -0.754 175.832 176.600 -0.023 0.000 1.042 441 K CA -0.230 56.029 56.287 -0.047 0.000 0.958 441 K CB -0.141 32.340 32.500 -0.032 0.000 0.984 441 K HN 0.376 nan 8.250 nan 0.000 0.473 442 L N 5.316 126.522 121.223 -0.027 0.000 2.388 442 L HA 0.444 4.785 4.340 0.002 0.000 0.264 442 L C -2.169 174.720 176.870 0.031 0.000 0.998 442 L CA -2.597 52.252 54.840 0.016 0.000 0.817 442 L CB 1.960 44.041 42.059 0.037 0.000 1.338 442 L HN 0.635 nan 8.230 nan 0.000 0.414 443 P HA -0.077 nan 4.420 nan 0.000 0.264 443 P C 0.348 177.725 177.300 0.130 0.000 1.179 443 P CA 0.216 63.363 63.100 0.078 0.000 0.763 443 P CB 0.423 32.165 31.700 0.070 0.000 0.806 444 H N 5.254 124.373 119.070 0.082 0.000 2.325 444 H HA -0.187 4.370 4.556 0.002 0.000 0.293 444 H C -0.898 174.563 175.328 0.222 0.000 1.106 444 H CA 2.835 58.989 56.048 0.176 0.000 1.247 444 H CB -1.308 28.522 29.762 0.114 0.000 1.359 444 H HN 0.450 nan 8.280 nan 0.000 0.488 445 P HA -0.109 nan 4.420 nan 0.000 0.217 445 P C 1.212 178.502 177.300 -0.016 0.000 1.150 445 P CA 1.767 64.885 63.100 0.031 0.000 0.832 445 P CB 0.008 31.754 31.700 0.077 0.000 0.787 446 Q N -1.776 118.034 119.800 0.017 0.000 2.083 446 Q HA -0.179 4.162 4.340 0.002 0.000 0.198 446 Q C 2.215 178.204 176.000 -0.019 0.000 0.969 446 Q CA 1.154 56.962 55.803 0.008 0.000 0.838 446 Q CB -0.805 27.953 28.738 0.033 0.000 0.900 446 Q HN 0.310 nan 8.270 nan 0.000 0.436 447 Y N 1.331 121.550 120.300 -0.135 0.000 2.165 447 Y HA -0.263 4.288 4.550 0.002 0.000 0.286 447 Y C 1.925 177.734 175.900 -0.151 0.000 1.155 447 Y CA 1.220 59.199 58.100 -0.202 0.000 1.164 447 Y CB -0.282 38.052 38.460 -0.210 0.000 0.978 447 Y HN 0.087 nan 8.280 nan 0.000 0.513 448 L N 0.916 121.855 121.223 -0.474 0.000 2.141 448 L HA 0.025 4.366 4.340 0.002 0.000 0.209 448 L C 2.485 179.279 176.870 -0.127 0.000 1.094 448 L CA 1.832 56.444 54.840 -0.380 0.000 0.763 448 L CB -1.184 40.708 42.059 -0.280 0.000 0.908 448 L HN 0.350 nan 8.230 nan 0.000 0.437 449 A N -0.801 121.945 122.820 -0.124 0.000 2.019 449 A HA -0.158 4.163 4.320 0.002 0.000 0.219 449 A C 2.183 179.710 177.584 -0.096 0.000 1.164 449 A CA 1.001 52.990 52.037 -0.080 0.000 0.644 449 A CB -0.454 18.508 19.000 -0.063 0.000 0.805 449 A HN 0.358 nan 8.150 nan 0.000 0.449 450 R N -0.935 119.485 120.500 -0.133 0.000 2.127 450 R HA -0.173 4.169 4.340 0.002 0.000 0.238 450 R C 1.661 177.958 176.300 -0.005 0.000 1.134 450 R CA 1.497 57.563 56.100 -0.057 0.000 0.975 450 R CB -1.239 28.912 30.300 -0.248 0.000 0.865 450 R HN 0.746 nan 8.270 nan 0.000 0.447 451 Y N 0.844 121.119 120.300 -0.041 0.000 2.298 451 Y HA -0.163 4.388 4.550 0.002 0.000 0.287 451 Y C 2.353 178.288 175.900 0.059 0.000 1.164 451 Y CA 1.139 59.248 58.100 0.016 0.000 1.229 451 Y CB -0.201 38.220 38.460 -0.064 0.000 0.977 451 Y HN 0.016 nan 8.280 nan 0.000 0.538 452 R N -0.765 119.796 120.500 0.102 0.000 2.293 452 R HA -0.149 4.192 4.340 0.002 0.000 0.219 452 R C 0.959 177.308 176.300 0.081 0.000 1.091 452 R CA 0.972 57.086 56.100 0.023 0.000 1.004 452 R CB -0.242 29.996 30.300 -0.103 0.000 0.865 452 R HN 0.471 nan 8.270 nan 0.000 0.469 453 H N -0.914 118.294 119.070 0.229 0.000 2.592 453 H HA 0.263 4.820 4.556 0.002 0.000 0.265 453 H C 0.307 175.750 175.328 0.192 0.000 0.955 453 H CA -0.082 56.065 56.048 0.165 0.000 1.175 453 H CB 0.218 30.044 29.762 0.105 0.000 1.433 453 H HN 0.081 nan 8.280 nan 0.000 0.537 454 A N 1.064 124.130 122.820 0.410 0.000 2.450 454 A HA 0.097 4.418 4.320 0.002 0.000 0.255 454 A C 0.642 178.385 177.584 0.265 0.000 1.096 454 A CA -0.209 52.023 52.037 0.326 0.000 0.778 454 A CB 0.444 19.618 19.000 0.289 0.000 1.031 454 A HN 0.143 nan 8.150 nan 0.000 0.494 455 D N 0.283 120.799 120.400 0.193 0.000 2.262 455 D HA 0.174 4.816 4.640 0.002 0.000 0.212 455 D C -0.112 176.376 176.300 0.313 0.000 0.964 455 D CA 1.035 55.152 54.000 0.195 0.000 0.875 455 D CB 0.262 41.100 40.800 0.065 0.000 0.996 455 D HN 0.386 nan 8.370 nan 0.000 0.497 456 L N -0.306 121.025 121.223 0.180 0.000 2.513 456 L HA 0.382 4.723 4.340 0.002 0.000 0.261 456 L C -1.898 175.049 176.870 0.127 0.000 0.945 456 L CA -0.855 54.064 54.840 0.133 0.000 0.848 456 L CB 2.171 44.267 42.059 0.062 0.000 1.334 456 L HN -0.200 nan 8.230 nan 0.000 0.407 457 F N 5.270 125.224 119.950 0.006 0.000 2.408 457 F HA 0.655 5.183 4.527 0.002 0.000 0.344 457 F C -0.990 174.832 175.800 0.037 0.000 1.112 457 F CA -0.505 57.501 58.000 0.010 0.000 1.096 457 F CB 0.933 39.952 39.000 0.032 0.000 1.129 457 F HN 0.361 nan 8.300 nan 0.000 0.486 458 L N 5.980 127.105 121.223 -0.163 0.000 2.276 458 L HA 0.276 4.617 4.340 0.002 0.000 0.286 458 L C -0.476 176.478 176.870 0.140 0.000 1.024 458 L CA -0.837 54.064 54.840 0.102 0.000 0.826 458 L CB 1.086 43.216 42.059 0.119 0.000 1.211 458 L HN 0.595 nan 8.230 nan 0.000 0.422 459 D N 2.042 122.696 120.400 0.423 0.000 2.358 459 D HA 0.309 4.950 4.640 0.002 0.000 0.244 459 D C -0.055 176.370 176.300 0.208 0.000 1.163 459 D CA -0.003 54.235 54.000 0.397 0.000 0.945 459 D CB 1.301 42.336 40.800 0.392 0.000 1.152 459 D HN 0.529 nan 8.370 nan 0.000 0.451 460 T N -0.590 114.061 114.554 0.162 0.000 2.950 460 T HA 0.435 4.786 4.350 0.002 0.000 0.288 460 T C -0.456 174.315 174.700 0.117 0.000 1.035 460 T CA -0.845 61.297 62.100 0.070 0.000 1.028 460 T CB 1.392 70.287 68.868 0.045 0.000 1.109 460 T HN 0.478 nan 8.240 nan 0.000 0.514 461 H N 1.077 120.113 119.070 -0.058 0.000 2.865 461 H HA 0.340 4.897 4.556 0.002 0.000 0.362 461 H C -2.499 172.791 175.328 -0.063 0.000 1.114 461 H CA -2.197 53.820 56.048 -0.051 0.000 1.208 461 H CB 2.946 32.645 29.762 -0.105 0.000 1.727 461 H HN 0.446 nan 8.280 nan 0.000 0.534 462 P HA 0.038 nan 4.420 nan 0.000 0.267 462 P C -0.337 176.840 177.300 -0.205 0.000 1.289 462 P CA 0.203 62.831 63.100 -0.787 0.000 0.866 462 P CB 0.272 31.494 31.700 -0.797 0.000 1.309 463 Y N 1.719 121.910 120.300 -0.181 0.000 2.593 463 Y HA 0.283 4.834 4.550 0.002 0.000 0.331 463 Y C 0.207 176.110 175.900 0.006 0.000 0.986 463 Y CA -1.079 56.967 58.100 -0.089 0.000 1.262 463 Y CB 0.144 38.555 38.460 -0.081 0.000 1.098 463 Y HN -0.136 nan 8.280 nan 0.000 0.506 464 N N 2.939 121.845 118.700 0.342 0.000 2.344 464 N HA 0.126 4.867 4.740 0.002 0.000 0.236 464 N C -0.189 175.456 175.510 0.225 0.000 1.279 464 N CA -0.205 53.002 53.050 0.261 0.000 0.882 464 N CB 0.590 39.231 38.487 0.257 0.000 1.110 464 N HN 0.669 nan 8.380 nan 0.000 0.436 465 A N 0.716 123.673 122.820 0.229 0.000 2.587 465 A HA -0.102 4.219 4.320 0.002 0.000 0.233 465 A C 0.416 178.143 177.584 0.239 0.000 1.049 465 A CA 0.589 52.765 52.037 0.233 0.000 0.754 465 A CB 0.042 19.227 19.000 0.309 0.000 0.977 465 A HN 0.982 nan 8.150 nan 0.000 0.509 466 H N 0.958 120.090 119.070 0.103 0.000 3.022 466 H HA 0.060 4.617 4.556 0.002 0.000 0.180 466 H C 2.182 177.536 175.328 0.043 0.000 1.111 466 H CA 1.556 57.675 56.048 0.119 0.000 1.304 466 H CB -0.089 29.778 29.762 0.176 0.000 1.290 466 H HN 0.660 nan 8.280 nan 0.000 0.441 467 T N -1.401 113.159 114.554 0.010 0.000 2.821 467 T HA -0.155 4.196 4.350 0.002 0.000 0.267 467 T C 1.943 176.654 174.700 0.018 0.000 1.046 467 T CA 2.057 64.116 62.100 -0.068 0.000 1.139 467 T CB -1.137 67.723 68.868 -0.013 0.000 0.871 467 T HN 0.591 nan 8.240 nan 0.000 0.454 468 T N 0.137 114.758 114.554 0.111 0.000 2.915 468 T HA 0.216 4.568 4.350 0.002 0.000 0.269 468 T C 2.262 176.840 174.700 -0.203 0.000 1.071 468 T CA 0.935 63.151 62.100 0.194 0.000 1.132 468 T CB -0.727 68.416 68.868 0.458 0.000 0.878 468 T HN 0.535 nan 8.240 nan 0.000 0.479 469 A N 2.127 124.770 122.820 -0.294 0.000 1.897 469 A HA 0.064 4.385 4.320 0.002 0.000 0.215 469 A C 2.733 180.139 177.584 -0.296 0.000 1.181 469 A CA 1.781 53.524 52.037 -0.490 0.000 0.620 469 A CB -0.975 17.876 19.000 -0.247 0.000 0.821 469 A HN 0.696 nan 8.150 nan 0.000 0.443 470 S N 0.095 115.694 115.700 -0.168 0.000 2.406 470 S HA -0.154 4.317 4.470 0.002 0.000 0.228 470 S C 1.381 175.956 174.600 -0.042 0.000 1.020 470 S CA 1.346 59.520 58.200 -0.043 0.000 0.965 470 S CB -0.443 62.725 63.200 -0.053 0.000 0.798 470 S HN 0.462 nan 8.310 nan 0.000 0.488 471 D N 2.622 122.934 120.400 -0.146 0.000 2.092 471 D HA -0.015 4.626 4.640 0.002 0.000 0.193 471 D C 2.404 178.314 176.300 -0.651 0.000 0.994 471 D CA 1.656 55.498 54.000 -0.262 0.000 0.828 471 D CB -0.917 39.784 40.800 -0.165 0.000 0.963 471 D HN 0.542 nan 8.370 nan 0.000 0.450 472 A N 0.836 123.142 122.820 -0.858 0.000 1.892 472 A HA -0.184 4.137 4.320 0.002 0.000 0.218 472 A C 2.455 179.827 177.584 -0.354 0.000 1.188 472 A CA 1.325 52.913 52.037 -0.748 0.000 0.631 472 A CB -0.947 17.714 19.000 -0.565 0.000 0.822 472 A HN 0.244 nan 8.150 nan 0.000 0.447 473 L N -1.861 119.242 121.223 -0.200 0.000 2.141 473 L HA -0.167 4.174 4.340 0.002 0.000 0.209 473 L C 2.591 179.424 176.870 -0.062 0.000 1.094 473 L CA 1.142 55.966 54.840 -0.028 0.000 0.763 473 L CB -0.486 41.667 42.059 0.157 0.000 0.908 473 L HN 0.811 nan 8.230 nan 0.000 0.437 474 W N 1.528 122.595 121.300 -0.389 0.000 2.358 474 W HA -0.228 4.432 4.660 0.001 0.000 0.303 474 W C 2.266 178.518 176.519 -0.444 0.000 1.208 474 W CA 1.915 58.824 57.345 -0.727 0.000 1.274 474 W CB -0.111 28.936 29.460 -0.690 0.000 1.138 474 W HN 0.302 nan 8.180 nan 0.000 0.515 475 T N -2.104 112.217 114.554 -0.388 0.000 3.160 475 T HA 0.208 4.559 4.350 0.002 0.000 0.257 475 T C 1.516 176.061 174.700 -0.259 0.000 1.147 475 T CA 1.176 63.060 62.100 -0.360 0.000 1.064 475 T CB -0.402 68.347 68.868 -0.198 0.000 0.949 475 T HN 0.444 nan 8.240 nan 0.000 0.526 476 G N -0.040 108.614 108.800 -0.243 0.000 2.157 476 G HA2 -0.246 3.715 3.960 0.002 0.000 0.239 476 G HA3 -0.246 3.715 3.960 0.002 0.000 0.239 476 G C 0.287 175.104 174.900 -0.140 0.000 0.982 476 G CA -0.216 44.787 45.100 -0.161 0.000 0.650 476 G HN 0.873 nan 8.290 nan 0.000 0.527 477 C N 2.777 122.004 119.300 -0.121 0.000 2.435 477 C HA 0.707 5.168 4.460 0.002 0.000 0.375 477 C C -1.515 173.364 174.990 -0.186 0.000 1.281 477 C CA -1.855 57.084 59.018 -0.131 0.000 1.963 477 C CB 0.503 28.297 27.740 0.090 0.000 2.490 477 C HN 0.377 nan 8.230 nan 0.000 0.557 478 P HA 0.281 nan 4.420 nan 0.000 0.275 478 P C -1.084 176.210 177.300 -0.011 0.000 1.228 478 P CA 0.009 63.018 63.100 -0.153 0.000 0.786 478 P CB 0.517 32.106 31.700 -0.185 0.000 0.927 479 V N 3.477 123.397 119.914 0.010 0.000 2.495 479 V HA 0.334 4.455 4.120 0.002 0.000 0.298 479 V C -0.032 176.122 176.094 0.101 0.000 1.031 479 V CA -0.686 61.679 62.300 0.107 0.000 0.871 479 V CB 1.556 33.391 31.823 0.019 0.000 0.988 479 V HN 0.375 nan 8.190 nan 0.000 0.432 480 L N 4.575 125.889 121.223 0.152 0.000 2.307 480 L HA 0.875 5.216 4.340 0.002 0.000 0.284 480 L C -0.152 176.890 176.870 0.286 0.000 1.023 480 L CA 0.732 55.626 54.840 0.091 0.000 0.810 480 L CB 1.821 43.793 42.059 -0.145 0.000 1.231 480 L HN 0.816 nan 8.230 nan 0.000 0.423 481 T N 1.671 116.389 114.554 0.274 0.000 2.889 481 T HA 0.579 4.930 4.350 0.002 0.000 0.315 481 T C -1.073 173.783 174.700 0.259 0.000 1.291 481 T CA -0.121 62.168 62.100 0.315 0.000 1.028 481 T CB 1.295 70.297 68.868 0.223 0.000 1.235 481 T HN 0.720 nan 8.240 nan 0.000 0.491 482 T N 2.462 117.129 114.554 0.189 0.000 3.053 482 T HA 0.590 4.941 4.350 0.002 0.000 0.363 482 T C -2.842 171.898 174.700 0.066 0.000 1.239 482 T CA -1.745 60.405 62.100 0.082 0.000 1.071 482 T CB 0.484 69.307 68.868 -0.074 0.000 1.089 482 T HN 0.290 nan 8.240 nan 0.000 0.527 483 P HA 0.279 nan 4.420 nan 0.000 0.263 483 P C 0.766 178.126 177.300 0.099 0.000 1.195 483 P CA 0.295 63.507 63.100 0.185 0.000 0.762 483 P CB 0.660 32.555 31.700 0.324 0.000 0.799 484 G N 2.612 111.492 108.800 0.133 0.000 2.945 484 G HA2 0.295 4.256 3.960 0.002 0.000 0.156 484 G HA3 0.295 4.256 3.960 0.002 0.000 0.156 484 G C 0.074 175.007 174.900 0.054 0.000 1.375 484 G CA -0.343 44.841 45.100 0.141 0.000 1.039 484 G HN 0.524 nan 8.290 nan 0.000 0.586 485 E N -1.257 118.969 120.200 0.044 0.000 2.603 485 E HA 0.281 4.632 4.350 0.002 0.000 0.211 485 E C 0.169 176.748 176.600 -0.035 0.000 0.995 485 E CA -0.095 56.297 56.400 -0.012 0.000 0.990 485 E CB 0.393 30.075 29.700 -0.031 0.000 1.036 485 E HN 0.436 nan 8.360 nan 0.000 0.475 486 T N -3.761 110.781 114.554 -0.020 0.000 2.906 486 T HA 0.319 4.670 4.350 0.002 0.000 0.295 486 T C 0.217 174.954 174.700 0.062 0.000 1.075 486 T CA -0.876 61.222 62.100 -0.005 0.000 1.005 486 T CB 0.893 69.705 68.868 -0.094 0.000 1.136 486 T HN 0.045 nan 8.240 nan 0.000 0.498 487 F N 1.731 121.680 119.950 -0.002 0.000 2.091 487 F HA 0.002 4.530 4.527 0.002 0.000 0.299 487 F C 2.578 178.353 175.800 -0.042 0.000 1.103 487 F CA 2.197 60.198 58.000 0.002 0.000 1.228 487 F CB -0.617 38.417 39.000 0.056 0.000 0.984 487 F HN 0.780 nan 8.300 nan 0.000 0.477 488 A N -0.226 122.649 122.820 0.091 0.000 2.070 488 A HA 0.065 4.386 4.320 0.002 0.000 0.220 488 A C 2.032 179.628 177.584 0.020 0.000 1.159 488 A CA 1.290 53.306 52.037 -0.035 0.000 0.656 488 A CB -1.231 17.514 19.000 -0.425 0.000 0.800 488 A HN 0.444 nan 8.150 nan 0.000 0.453 489 A N -1.142 121.678 122.820 -0.001 0.000 2.307 489 A HA 0.299 4.621 4.320 0.002 0.000 0.218 489 A C 1.571 179.229 177.584 0.124 0.000 1.228 489 A CA 0.052 52.134 52.037 0.075 0.000 0.857 489 A CB -0.079 18.950 19.000 0.048 0.000 0.897 489 A HN 0.460 nan 8.150 nan 0.000 0.495 490 R N -1.563 118.974 120.500 0.062 0.000 2.531 490 R HA 0.189 4.530 4.340 0.002 0.000 0.316 490 R C 0.868 177.250 176.300 0.138 0.000 0.955 490 R CA 0.173 56.351 56.100 0.130 0.000 1.120 490 R CB 0.428 30.738 30.300 0.017 0.000 1.361 490 R HN 0.265 nan 8.270 nan 0.000 0.534 491 V N 1.047 121.008 119.914 0.079 0.000 2.270 491 V HA -0.205 3.916 4.120 0.002 0.000 0.245 491 V C 2.447 178.660 176.094 0.200 0.000 1.043 491 V CA 2.426 64.837 62.300 0.185 0.000 1.014 491 V CB -0.410 31.617 31.823 0.340 0.000 0.645 491 V HN 0.384 nan 8.190 nan 0.000 0.447 492 A N 0.459 123.382 122.820 0.170 0.000 1.902 492 A HA -0.107 4.214 4.320 0.002 0.000 0.217 492 A C 2.419 180.029 177.584 0.044 0.000 1.181 492 A CA 1.968 54.070 52.037 0.107 0.000 0.623 492 A CB -1.320 17.763 19.000 0.138 0.000 0.818 492 A HN 0.543 nan 8.150 nan 0.000 0.443 493 G N -0.742 108.099 108.800 0.069 0.000 2.469 493 G HA2 -0.273 3.688 3.960 0.002 0.000 0.219 493 G HA3 -0.273 3.688 3.960 0.002 0.000 0.219 493 G C 1.951 176.482 174.900 -0.615 0.000 1.150 493 G CA 1.648 46.676 45.100 -0.119 0.000 0.763 493 G HN 0.597 nan 8.290 nan 0.000 0.561 494 S N -0.032 115.505 115.700 -0.272 0.000 2.368 494 S HA -0.019 4.452 4.470 0.002 0.000 0.225 494 S C 2.478 177.108 174.600 0.050 0.000 1.030 494 S CA 1.139 59.265 58.200 -0.122 0.000 0.999 494 S CB -0.287 63.139 63.200 0.378 0.000 0.844 494 S HN 0.352 nan 8.310 nan 0.000 0.459 495 L N 1.631 122.868 121.223 0.024 0.000 1.990 495 L HA -0.183 4.158 4.340 0.002 0.000 0.213 495 L C 2.591 179.423 176.870 -0.064 0.000 1.072 495 L CA 1.571 56.398 54.840 -0.021 0.000 0.755 495 L CB -0.921 41.104 42.059 -0.057 0.000 0.889 495 L HN 0.319 nan 8.230 nan 0.000 0.432 496 N N -0.765 117.868 118.700 -0.110 0.000 2.069 496 N HA -0.243 4.498 4.740 0.002 0.000 0.191 496 N C 1.837 177.254 175.510 -0.156 0.000 1.031 496 N CA 1.651 54.631 53.050 -0.116 0.000 0.852 496 N CB -0.555 37.866 38.487 -0.109 0.000 1.018 496 N HN 0.431 nan 8.380 nan 0.000 0.423 497 H N 0.103 118.936 119.070 -0.396 0.000 2.290 497 H HA -0.072 4.485 4.556 0.002 0.000 0.298 497 H C 1.584 176.712 175.328 -0.333 0.000 1.087 497 H CA 2.124 57.907 56.048 -0.441 0.000 1.291 497 H CB -0.371 28.932 29.762 -0.765 0.000 1.369 497 H HN 0.401 nan 8.280 nan 0.000 0.492 498 H N -1.358 117.588 119.070 -0.207 0.000 2.524 498 H HA 0.004 4.561 4.556 0.002 0.000 0.282 498 H C 1.819 177.040 175.328 -0.179 0.000 1.016 498 H CA 0.721 56.646 56.048 -0.204 0.000 1.270 498 H CB 0.208 29.926 29.762 -0.074 0.000 1.394 498 H HN 0.244 nan 8.280 nan 0.000 0.568 499 L N -0.748 120.432 121.223 -0.072 0.000 2.240 499 L HA 0.134 4.475 4.340 0.002 0.000 0.211 499 L C 1.734 178.560 176.870 -0.073 0.000 1.106 499 L CA 1.725 56.532 54.840 -0.055 0.000 0.793 499 L CB -0.404 41.633 42.059 -0.037 0.000 0.927 499 L HN 0.495 nan 8.230 nan 0.000 0.446 500 G N -1.367 107.352 108.800 -0.135 0.000 2.168 500 G HA2 -0.206 3.755 3.960 0.002 0.000 0.197 500 G HA3 -0.206 3.755 3.960 0.002 0.000 0.197 500 G C 0.440 175.291 174.900 -0.082 0.000 0.997 500 G CA 0.116 45.142 45.100 -0.123 0.000 0.658 500 G HN 0.236 nan 8.290 nan 0.000 0.513 501 L N 1.441 122.618 121.223 -0.076 0.000 2.990 501 L HA 0.299 4.640 4.340 0.002 0.000 0.231 501 L C 1.209 178.054 176.870 -0.042 0.000 1.341 501 L CA -0.590 54.220 54.840 -0.050 0.000 1.208 501 L CB 0.195 42.227 42.059 -0.044 0.000 1.571 501 L HN 0.021 nan 8.230 nan 0.000 0.453 502 D N 1.145 121.528 120.400 -0.027 0.000 2.182 502 D HA -0.186 4.455 4.640 0.002 0.000 0.201 502 D C 1.905 178.217 176.300 0.019 0.000 0.986 502 D CA 1.181 55.187 54.000 0.011 0.000 0.847 502 D CB 0.327 41.158 40.800 0.052 0.000 0.942 502 D HN 0.557 nan 8.370 nan 0.000 0.467 503 E N 0.266 120.470 120.200 0.008 0.000 2.478 503 E HA -0.123 4.228 4.350 0.002 0.000 0.198 503 E C 1.376 177.979 176.600 0.005 0.000 1.046 503 E CA 0.375 56.781 56.400 0.010 0.000 0.870 503 E CB -0.153 29.548 29.700 0.002 0.000 0.818 503 E HN 0.231 nan 8.360 nan 0.000 0.527 504 M N 0.888 120.488 119.600 0.001 0.000 2.428 504 M HA 0.166 4.647 4.480 0.002 0.000 0.239 504 M C -0.195 176.124 176.300 0.032 0.000 1.121 504 M CA 0.031 55.332 55.300 0.002 0.000 1.019 504 M CB -0.377 32.217 32.600 -0.010 0.000 1.485 504 M HN -0.100 nan 8.290 nan 0.000 0.484 505 N N 1.845 120.570 118.700 0.040 0.000 2.439 505 N HA 0.384 5.125 4.740 0.002 0.000 0.249 505 N C -0.309 175.254 175.510 0.088 0.000 1.003 505 N CA -0.053 53.046 53.050 0.081 0.000 0.942 505 N CB 1.860 40.401 38.487 0.090 0.000 1.115 505 N HN 0.033 nan 8.380 nan 0.000 0.505 506 V N -0.914 119.062 119.914 0.103 0.000 3.166 506 V HA 0.792 4.913 4.120 0.002 0.000 0.317 506 V C 1.166 177.309 176.094 0.081 0.000 1.136 506 V CA -0.754 61.598 62.300 0.086 0.000 1.035 506 V CB 1.240 33.112 31.823 0.083 0.000 1.110 506 V HN 0.448 nan 8.190 nan 0.000 0.450 507 A N 0.905 123.759 122.820 0.058 0.000 1.897 507 A HA 0.230 4.551 4.320 0.002 0.000 0.215 507 A C 0.775 178.363 177.584 0.006 0.000 1.181 507 A CA 1.917 53.973 52.037 0.032 0.000 0.620 507 A CB -0.782 18.233 19.000 0.025 0.000 0.821 507 A HN 1.381 nan 8.150 nan 0.000 0.443 508 D N -4.528 115.883 120.400 0.018 0.000 2.738 508 D HA 0.155 4.796 4.640 0.002 0.000 0.308 508 D C -0.582 175.728 176.300 0.017 0.000 1.311 508 D CA -0.246 53.739 54.000 -0.026 0.000 0.799 508 D CB -0.425 40.359 40.800 -0.027 0.000 1.332 508 D HN -0.168 nan 8.370 nan 0.000 0.441 509 D N -0.181 120.201 120.400 -0.030 0.000 2.123 509 D HA -0.052 4.589 4.640 0.002 0.000 0.196 509 D C 1.964 178.326 176.300 0.103 0.000 0.992 509 D CA 2.541 56.541 54.000 0.000 0.000 0.833 509 D CB -0.510 40.258 40.800 -0.053 0.000 0.954 509 D HN 0.520 nan 8.370 nan 0.000 0.455 510 A N 0.727 123.583 122.820 0.061 0.000 1.902 510 A HA -0.041 4.280 4.320 0.002 0.000 0.217 510 A C 2.272 179.903 177.584 0.079 0.000 1.181 510 A CA 2.211 54.286 52.037 0.064 0.000 0.623 510 A CB -0.666 18.354 19.000 0.035 0.000 0.818 510 A HN 0.244 nan 8.150 nan 0.000 0.443 511 A N -1.514 121.354 122.820 0.081 0.000 1.968 511 A HA 0.067 4.389 4.320 0.002 0.000 0.217 511 A C 1.982 179.627 177.584 0.102 0.000 1.169 511 A CA 1.250 53.330 52.037 0.072 0.000 0.638 511 A CB -0.664 18.371 19.000 0.058 0.000 0.812 511 A HN 0.617 nan 8.150 nan 0.000 0.446 512 F N 0.866 120.812 119.950 -0.006 0.000 2.065 512 F HA -0.234 4.294 4.527 0.002 0.000 0.298 512 F C 2.219 178.021 175.800 0.004 0.000 1.112 512 F CA 2.351 60.351 58.000 -0.000 0.000 1.212 512 F CB -0.227 38.769 39.000 -0.006 0.000 0.975 512 F HN 0.047 nan 8.300 nan 0.000 0.476 513 V N 0.336 120.385 119.914 0.224 0.000 2.358 513 V HA -0.279 3.842 4.120 0.002 0.000 0.246 513 V C 2.678 178.773 176.094 0.002 0.000 1.047 513 V CA 1.718 64.084 62.300 0.110 0.000 1.035 513 V CB -1.519 30.384 31.823 0.133 0.000 0.658 513 V HN 0.502 nan 8.190 nan 0.000 0.452 514 A N 0.002 122.828 122.820 0.010 0.000 1.930 514 A HA -0.223 4.098 4.320 0.002 0.000 0.217 514 A C 2.220 179.779 177.584 -0.042 0.000 1.175 514 A CA 2.127 54.157 52.037 -0.010 0.000 0.627 514 A CB -0.440 18.562 19.000 0.003 0.000 0.815 514 A HN 0.439 nan 8.150 nan 0.000 0.443 515 K N 0.396 120.754 120.400 -0.070 0.000 2.057 515 K HA 0.067 4.388 4.320 0.002 0.000 0.206 515 K C 1.998 178.523 176.600 -0.125 0.000 1.050 515 K CA 1.661 57.893 56.287 -0.092 0.000 0.935 515 K CB -0.703 31.733 32.500 -0.107 0.000 0.715 515 K HN 0.296 nan 8.250 nan 0.000 0.439 516 A N 0.075 122.774 122.820 -0.202 0.000 1.902 516 A HA -0.091 4.230 4.320 0.002 0.000 0.217 516 A C 2.335 179.859 177.584 -0.100 0.000 1.181 516 A CA 1.855 53.774 52.037 -0.197 0.000 0.623 516 A CB -0.776 18.039 19.000 -0.308 0.000 0.818 516 A HN 0.115 nan 8.150 nan 0.000 0.443 517 V N -0.163 119.708 119.914 -0.073 0.000 2.343 517 V HA -0.225 3.896 4.120 0.002 0.000 0.247 517 V C 3.028 179.100 176.094 -0.036 0.000 1.051 517 V CA 1.864 64.139 62.300 -0.041 0.000 1.036 517 V CB -1.205 30.603 31.823 -0.024 0.000 0.654 517 V HN 0.613 nan 8.190 nan 0.000 0.451 518 A N -0.320 122.477 122.820 -0.038 0.000 1.898 518 A HA -0.122 4.199 4.320 0.002 0.000 0.216 518 A C 2.230 179.798 177.584 -0.026 0.000 1.181 518 A CA 1.642 53.663 52.037 -0.028 0.000 0.620 518 A CB -0.469 18.516 19.000 -0.026 0.000 0.819 518 A HN 0.485 nan 8.150 nan 0.000 0.442 519 L N -0.883 120.320 121.223 -0.034 0.000 2.027 519 L HA -0.166 4.175 4.340 0.002 0.000 0.206 519 L C 3.085 179.945 176.870 -0.017 0.000 1.074 519 L CA 1.095 55.922 54.840 -0.022 0.000 0.745 519 L CB -0.517 41.525 42.059 -0.027 0.000 0.898 519 L HN 0.432 nan 8.230 nan 0.000 0.433 520 A N -0.187 122.617 122.820 -0.027 0.000 2.019 520 A HA -0.160 4.161 4.320 0.002 0.000 0.219 520 A C 2.334 179.905 177.584 -0.023 0.000 1.164 520 A CA 1.827 53.850 52.037 -0.023 0.000 0.644 520 A CB -0.446 18.537 19.000 -0.029 0.000 0.805 520 A HN 0.529 nan 8.150 nan 0.000 0.449 521 S N -1.337 114.349 115.700 -0.022 0.000 2.548 521 S HA 0.089 4.560 4.470 0.002 0.000 0.215 521 S C 0.255 174.844 174.600 -0.018 0.000 0.976 521 S CA 0.329 58.516 58.200 -0.021 0.000 0.908 521 S CB 0.066 63.254 63.200 -0.019 0.000 0.781 521 S HN 0.382 nan 8.310 nan 0.000 0.519 522 D N 2.340 122.731 120.400 -0.016 0.000 2.460 522 D HA 0.396 5.037 4.640 0.002 0.000 0.268 522 D C -2.119 174.174 176.300 -0.011 0.000 1.153 522 D CA -2.443 51.549 54.000 -0.013 0.000 0.929 522 D CB 1.481 42.275 40.800 -0.010 0.000 1.015 522 D HN -0.001 nan 8.370 nan 0.000 0.502 523 P HA -0.074 nan 4.420 nan 0.000 0.218 523 P C 1.138 178.427 177.300 -0.019 0.000 1.149 523 P CA 0.804 63.890 63.100 -0.023 0.000 0.817 523 P CB 0.321 32.002 31.700 -0.032 0.000 0.785 524 A N 0.211 123.022 122.820 -0.015 0.000 1.933 524 A HA -0.080 4.241 4.320 0.002 0.000 0.218 524 A C 2.331 179.914 177.584 -0.001 0.000 1.175 524 A CA 2.045 54.076 52.037 -0.011 0.000 0.628 524 A CB -1.521 17.473 19.000 -0.011 0.000 0.814 524 A HN 0.216 nan 8.150 nan 0.000 0.444 525 A N -0.954 121.867 122.820 0.002 0.000 1.968 525 A HA 0.111 4.432 4.320 0.002 0.000 0.217 525 A C 2.055 179.656 177.584 0.029 0.000 1.169 525 A CA 1.510 53.553 52.037 0.010 0.000 0.638 525 A CB -0.434 18.568 19.000 0.004 0.000 0.812 525 A HN 0.530 nan 8.150 nan 0.000 0.446 526 L N -0.291 120.953 121.223 0.036 0.000 2.072 526 L HA -0.054 4.287 4.340 0.002 0.000 0.205 526 L C 2.430 179.382 176.870 0.137 0.000 1.079 526 L CA 2.639 57.532 54.840 0.089 0.000 0.752 526 L CB -1.270 40.831 42.059 0.069 0.000 0.906 526 L HN 0.355 nan 8.230 nan 0.000 0.436 527 T N 0.193 114.770 114.554 0.037 0.000 2.635 527 T HA -0.274 4.077 4.350 0.002 0.000 0.267 527 T C 1.881 176.620 174.700 0.065 0.000 1.040 527 T CA 1.827 63.935 62.100 0.013 0.000 1.156 527 T CB -0.652 68.202 68.868 -0.024 0.000 0.863 527 T HN 0.527 nan 8.240 nan 0.000 0.430 528 A N 0.843 123.689 122.820 0.043 0.000 1.978 528 A HA -0.059 4.262 4.320 0.002 0.000 0.220 528 A C 2.229 179.843 177.584 0.048 0.000 1.170 528 A CA 1.441 53.501 52.037 0.037 0.000 0.636 528 A CB -0.707 18.305 19.000 0.020 0.000 0.810 528 A HN 0.437 nan 8.150 nan 0.000 0.448 529 L N -1.003 120.261 121.223 0.068 0.000 2.109 529 L HA -0.094 4.247 4.340 0.002 0.000 0.207 529 L C 2.256 179.140 176.870 0.024 0.000 1.086 529 L CA 1.970 56.834 54.840 0.039 0.000 0.760 529 L CB -0.777 41.300 42.059 0.030 0.000 0.910 529 L HN 0.526 nan 8.230 nan 0.000 0.437 530 H N -0.567 118.498 119.070 -0.009 0.000 2.387 530 H HA -0.088 4.469 4.556 0.002 0.000 0.299 530 H C 2.083 177.399 175.328 -0.021 0.000 1.090 530 H CA 1.292 57.333 56.048 -0.013 0.000 1.332 530 H CB 0.008 29.764 29.762 -0.011 0.000 1.386 530 H HN 0.534 nan 8.280 nan 0.000 0.516 531 A N 1.189 124.067 122.820 0.096 0.000 1.933 531 A HA -0.204 4.117 4.320 0.002 0.000 0.218 531 A C 2.436 180.029 177.584 0.014 0.000 1.175 531 A CA 1.584 53.645 52.037 0.038 0.000 0.628 531 A CB -0.497 18.520 19.000 0.028 0.000 0.814 531 A HN 0.288 nan 8.150 nan 0.000 0.444 532 R N -0.545 119.961 120.500 0.010 0.000 2.066 532 R HA -0.069 4.272 4.340 0.002 0.000 0.232 532 R C 1.939 178.232 176.300 -0.012 0.000 1.131 532 R CA 1.578 57.676 56.100 -0.003 0.000 0.955 532 R CB -0.407 29.889 30.300 -0.006 0.000 0.851 532 R HN 0.285 nan 8.270 nan 0.000 0.432 533 V N 1.524 121.419 119.914 -0.031 0.000 2.392 533 V HA -0.266 3.855 4.120 0.002 0.000 0.249 533 V C 1.989 178.068 176.094 -0.024 0.000 1.059 533 V CA 2.167 64.444 62.300 -0.039 0.000 1.051 533 V CB -0.595 31.169 31.823 -0.099 0.000 0.658 533 V HN 0.447 nan 8.190 nan 0.000 0.455 534 D N 0.092 120.474 120.400 -0.031 0.000 2.097 534 D HA -0.129 4.512 4.640 0.002 0.000 0.195 534 D C 2.075 178.363 176.300 -0.020 0.000 0.989 534 D CA 1.324 55.297 54.000 -0.044 0.000 0.827 534 D CB -0.095 40.682 40.800 -0.038 0.000 0.966 534 D HN 0.259 nan 8.370 nan 0.000 0.456 535 V N 0.589 120.501 119.914 -0.003 0.000 2.427 535 V HA -0.163 3.958 4.120 0.002 0.000 0.248 535 V C 2.591 178.705 176.094 0.033 0.000 1.051 535 V CA 1.002 63.309 62.300 0.011 0.000 1.048 535 V CB -0.282 31.546 31.823 0.008 0.000 0.666 535 V HN 0.267 nan 8.190 nan 0.000 0.456 536 L N 0.191 121.434 121.223 0.034 0.000 2.240 536 L HA -0.057 4.284 4.340 0.002 0.000 0.211 536 L C 2.615 179.554 176.870 0.115 0.000 1.106 536 L CA 1.167 56.038 54.840 0.053 0.000 0.793 536 L CB -0.498 41.578 42.059 0.027 0.000 0.927 536 L HN 0.407 nan 8.230 nan 0.000 0.446 537 R N 0.197 120.778 120.500 0.134 0.000 2.276 537 R HA -0.046 4.296 4.340 0.002 0.000 0.203 537 R C 1.896 178.356 176.300 0.265 0.000 1.017 537 R CA 0.691 56.954 56.100 0.271 0.000 1.010 537 R CB -0.113 30.300 30.300 0.189 0.000 0.900 537 R HN 0.274 nan 8.270 nan 0.000 0.469 538 R N -0.033 120.566 120.500 0.166 0.000 2.175 538 R HA 0.258 4.599 4.340 0.002 0.000 0.202 538 R C 1.983 178.444 176.300 0.268 0.000 1.018 538 R CA 0.810 57.026 56.100 0.194 0.000 1.029 538 R CB 0.182 30.536 30.300 0.090 0.000 0.959 538 R HN 0.247 nan 8.270 nan 0.000 0.480 539 A N 1.164 124.079 122.820 0.158 0.000 2.095 539 A HA 0.074 4.396 4.320 0.002 0.000 0.212 539 A C 1.191 178.807 177.584 0.053 0.000 1.162 539 A CA 0.227 52.317 52.037 0.089 0.000 0.753 539 A CB 0.047 19.074 19.000 0.046 0.000 0.840 539 A HN 0.304 nan 8.150 nan 0.000 0.468 540 S N -1.414 114.342 115.700 0.095 0.000 2.681 540 S HA 0.482 4.953 4.470 0.002 0.000 0.270 540 S C 1.159 175.797 174.600 0.063 0.000 1.209 540 S CA 0.082 58.311 58.200 0.048 0.000 0.988 540 S CB 1.172 64.393 63.200 0.035 0.000 1.006 540 S HN 0.482 nan 8.310 nan 0.000 0.558 541 G N -0.407 108.404 108.800 0.019 0.000 2.880 541 G HA2 0.102 4.063 3.960 0.002 0.000 0.209 541 G HA3 0.102 4.063 3.960 0.002 0.000 0.209 541 G C 1.015 175.981 174.900 0.109 0.000 1.157 541 G CA 0.221 45.345 45.100 0.040 0.000 0.779 541 G HN 0.573 nan 8.290 nan 0.000 0.539 542 V N 0.082 119.988 119.914 -0.013 0.000 2.453 542 V HA -0.115 4.006 4.120 0.002 0.000 0.252 542 V C 1.635 177.505 176.094 -0.373 0.000 1.068 542 V CA 1.398 63.536 62.300 -0.270 0.000 1.070 542 V CB -0.495 30.997 31.823 -0.551 0.000 0.664 542 V HN 0.454 nan 8.190 nan 0.000 0.461 543 F N -1.752 118.303 119.950 0.176 0.000 2.791 543 F HA 0.339 4.867 4.527 0.002 0.000 0.308 543 F C 0.695 176.469 175.800 -0.042 0.000 1.138 543 F CA -0.387 57.649 58.000 0.060 0.000 1.294 543 F CB 0.205 39.316 39.000 0.184 0.000 0.975 543 F HN 0.186 nan 8.300 nan 0.000 0.512 544 H N 1.696 120.858 119.070 0.153 0.000 2.661 544 H HA 0.239 4.796 4.556 0.002 0.000 0.290 544 H C 0.891 176.273 175.328 0.091 0.000 1.082 544 H CA -0.331 55.787 56.048 0.116 0.000 1.234 544 H CB 1.414 31.237 29.762 0.103 0.000 1.387 544 H HN 0.141 nan 8.280 nan 0.000 0.476 545 M N 1.236 120.893 119.600 0.095 0.000 2.506 545 M HA -0.063 4.418 4.480 0.002 0.000 0.260 545 M C 0.831 177.192 176.300 0.101 0.000 1.104 545 M CA 0.576 55.900 55.300 0.038 0.000 1.112 545 M CB -0.245 32.289 32.600 -0.111 0.000 1.401 545 M HN 0.490 nan 8.290 nan 0.000 0.473 546 D N 0.479 120.947 120.400 0.113 0.000 2.097 546 D HA -0.068 4.573 4.640 0.002 0.000 0.197 546 D C 2.060 178.438 176.300 0.131 0.000 0.984 546 D CA 1.601 55.667 54.000 0.110 0.000 0.826 546 D CB -0.493 40.367 40.800 0.100 0.000 0.973 546 D HN 0.397 nan 8.370 nan 0.000 0.460 547 G N -0.270 108.621 108.800 0.151 0.000 2.422 547 G HA2 -0.272 3.689 3.960 0.002 0.000 0.218 547 G HA3 -0.272 3.689 3.960 0.002 0.000 0.218 547 G C 1.541 176.524 174.900 0.139 0.000 1.146 547 G CA 0.185 45.356 45.100 0.119 0.000 0.769 547 G HN 0.273 nan 8.290 nan 0.000 0.547 548 F N 1.844 121.809 119.950 0.024 0.000 2.186 548 F HA 0.144 4.672 4.527 0.002 0.000 0.299 548 F C 2.800 178.618 175.800 0.030 0.000 1.090 548 F CA 1.104 59.107 58.000 0.004 0.000 1.307 548 F CB 0.179 39.150 39.000 -0.050 0.000 1.019 548 F HN 0.228 nan 8.300 nan 0.000 0.489 549 A N -0.140 122.864 122.820 0.307 0.000 1.930 549 A HA -0.161 4.160 4.320 0.002 0.000 0.217 549 A C 1.840 179.540 177.584 0.193 0.000 1.175 549 A CA 1.836 54.016 52.037 0.238 0.000 0.627 549 A CB -0.782 18.301 19.000 0.139 0.000 0.815 549 A HN 0.364 nan 8.150 nan 0.000 0.443 550 D N -0.006 120.474 120.400 0.132 0.000 2.117 550 D HA -0.134 4.507 4.640 0.002 0.000 0.197 550 D C 1.603 177.939 176.300 0.061 0.000 0.987 550 D CA 1.621 55.673 54.000 0.088 0.000 0.829 550 D CB -0.401 40.437 40.800 0.064 0.000 0.961 550 D HN 0.505 nan 8.370 nan 0.000 0.460 551 D N -0.483 119.935 120.400 0.030 0.000 2.078 551 D HA -0.172 4.469 4.640 0.002 0.000 0.193 551 D C 1.892 178.189 176.300 -0.006 0.000 0.990 551 D CA 0.638 54.619 54.000 -0.032 0.000 0.827 551 D CB -0.394 40.320 40.800 -0.142 0.000 0.975 551 D HN 0.068 nan 8.370 nan 0.000 0.451 552 F N 0.900 120.759 119.950 -0.152 0.000 2.091 552 F HA -0.081 4.447 4.527 0.001 0.000 0.299 552 F C 2.217 177.987 175.800 -0.050 0.000 1.103 552 F CA 2.358 60.282 58.000 -0.125 0.000 1.228 552 F CB -0.749 38.226 39.000 -0.042 0.000 0.984 552 F HN 0.065 nan 8.300 nan 0.000 0.477 553 G N -0.548 108.304 108.800 0.086 0.000 2.446 553 G HA2 -0.245 3.716 3.960 0.002 0.000 0.217 553 G HA3 -0.245 3.716 3.960 0.002 0.000 0.217 553 G C 1.829 176.707 174.900 -0.037 0.000 1.168 553 G CA 0.948 46.055 45.100 0.012 0.000 0.771 553 G HN 0.635 nan 8.290 nan 0.000 0.551 554 A N 0.398 123.213 122.820 -0.007 0.000 1.933 554 A HA 0.068 4.389 4.320 0.002 0.000 0.218 554 A C 2.373 179.930 177.584 -0.046 0.000 1.175 554 A CA 1.519 53.554 52.037 -0.003 0.000 0.628 554 A CB -0.382 18.622 19.000 0.006 0.000 0.814 554 A HN 0.457 nan 8.150 nan 0.000 0.444 555 L N -0.735 120.424 121.223 -0.108 0.000 2.109 555 L HA -0.063 4.278 4.340 0.002 0.000 0.207 555 L C 2.290 179.041 176.870 -0.198 0.000 1.086 555 L CA 1.109 55.862 54.840 -0.145 0.000 0.760 555 L CB -0.228 41.729 42.059 -0.169 0.000 0.910 555 L HN 0.396 nan 8.230 nan 0.000 0.437 556 L N -0.298 120.752 121.223 -0.288 0.000 2.042 556 L HA -0.261 4.080 4.340 0.002 0.000 0.210 556 L C 2.697 179.480 176.870 -0.144 0.000 1.076 556 L CA 1.498 56.178 54.840 -0.266 0.000 0.749 556 L CB -0.518 41.344 42.059 -0.328 0.000 0.893 556 L HN 0.405 nan 8.230 nan 0.000 0.432 557 Q N -0.639 119.136 119.800 -0.043 0.000 2.167 557 Q HA -0.147 4.194 4.340 0.002 0.000 0.202 557 Q C 2.373 178.476 176.000 0.172 0.000 0.970 557 Q CA 1.382 57.275 55.803 0.149 0.000 0.855 557 Q CB -0.138 28.762 28.738 0.270 0.000 0.911 557 Q HN 0.570 nan 8.270 nan 0.000 0.438 558 A N 0.669 123.521 122.820 0.053 0.000 1.898 558 A HA -0.116 4.205 4.320 0.002 0.000 0.214 558 A C 1.993 179.581 177.584 0.006 0.000 1.183 558 A CA 0.669 52.727 52.037 0.034 0.000 0.622 558 A CB -0.486 18.511 19.000 -0.006 0.000 0.824 558 A HN 0.314 nan 8.150 nan 0.000 0.444 559 L N 0.076 121.256 121.223 -0.072 0.000 2.012 559 L HA -0.130 4.211 4.340 0.002 0.000 0.210 559 L C 2.624 179.516 176.870 0.037 0.000 1.073 559 L CA 2.370 57.136 54.840 -0.123 0.000 0.748 559 L CB -0.790 41.081 42.059 -0.313 0.000 0.891 559 L HN 0.346 nan 8.230 nan 0.000 0.431 560 A N -0.802 122.031 122.820 0.021 0.000 1.929 560 A HA -0.192 4.130 4.320 0.002 0.000 0.216 560 A C 2.512 180.264 177.584 0.280 0.000 1.176 560 A CA 1.388 53.486 52.037 0.102 0.000 0.628 560 A CB -0.613 18.349 19.000 -0.062 0.000 0.816 560 A HN 0.481 nan 8.150 nan 0.000 0.444 561 R N -0.575 120.101 120.500 0.293 0.000 2.159 561 R HA -0.127 4.214 4.340 0.002 0.000 0.237 561 R C 2.199 178.586 176.300 0.145 0.000 1.131 561 R CA 1.387 57.635 56.100 0.246 0.000 0.982 561 R CB -0.151 30.240 30.300 0.152 0.000 0.868 561 R HN 0.372 nan 8.270 nan 0.000 0.453 562 R N -0.356 120.216 120.500 0.120 0.000 2.275 562 R HA -0.042 4.299 4.340 0.002 0.000 0.199 562 R C 0.011 176.273 176.300 -0.064 0.000 0.989 562 R CA 1.028 57.136 56.100 0.013 0.000 1.016 562 R CB 0.083 30.370 30.300 -0.022 0.000 0.918 562 R HN 0.437 nan 8.270 nan 0.000 0.473 563 H N -1.337 117.765 119.070 0.053 0.000 2.475 563 H HA 0.241 4.798 4.556 0.002 0.000 0.276 563 H C 0.358 175.730 175.328 0.074 0.000 1.126 563 H CA 0.542 56.622 56.048 0.054 0.000 1.023 563 H CB 1.082 30.871 29.762 0.045 0.000 1.669 563 H HN 0.480 nan 8.280 nan 0.000 0.573 564 G N 0.519 109.422 108.800 0.171 0.000 2.380 564 G HA2 -0.226 3.735 3.960 0.002 0.000 0.197 564 G HA3 -0.226 3.735 3.960 0.002 0.000 0.197 564 G C -0.089 174.926 174.900 0.191 0.000 1.001 564 G CA -0.394 44.794 45.100 0.147 0.000 0.668 564 G HN 0.292 nan 8.290 nan 0.000 0.483 565 W N 2.145 123.465 121.300 0.034 0.000 2.193 565 W HA 0.592 5.253 4.660 0.001 0.000 0.338 565 W C 0.655 177.182 176.519 0.012 0.000 1.310 565 W CA 0.139 57.497 57.345 0.021 0.000 1.243 565 W CB 0.432 29.903 29.460 0.019 0.000 1.165 565 W HN 0.037 nan 8.180 nan 0.000 0.566 566 L N 6.541 127.433 121.223 -0.553 0.000 3.333 566 L HA 0.291 4.632 4.340 0.002 0.000 0.299 566 L C 0.973 177.361 176.870 -0.804 0.000 1.256 566 L CA 0.566 55.089 54.840 -0.528 0.000 1.037 566 L CB -0.946 40.970 42.059 -0.239 0.000 1.423 566 L HN 0.836 nan 8.230 nan 0.000 0.605 567 G N 0.000 107.795 108.800 -1.676 0.000 5.446 567 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 567 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 567 G CA 0.000 44.400 45.100 -1.167 0.000 0.502 567 G HN 0.000 nan 8.290 nan 0.000 0.925