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 3gcf_1_L DATA FIRST_RESID 16 DATA SEQUENCE SAQVKWPRYL EATLGFDNHW HPAAFDHELA EGEFVAVTML GEKVLLTRAK DATA SEQUENCE GEVKAIADGC AHRGVPFSKE PLCFKAGTVS CWYHGWTYDL DDGRLVDVLT DATA SEQUENCE SPGSPVIGKI GIKVYPVQVA QGVVFVFIGD EEPHALSEDL PPGFLDEDTH DATA SEQUENCE LLGIRRTVQS NWRLGVENGF DTTHIFMHRN SPWVSGNRLA FPYGFVPADR DATA SEQUENCE DAMQVYDENW PKGVLDRLSE NYMPVFEATL DGETVLSAEL TGEEKKVAAQ DATA SEQUENCE VSVWLPGVLK VDPFPDPTLI QYEFYVPISE TQHEYFQVLQ RKVEGPEDVK DATA SEQUENCE TFEVEFEERW RDDALHGFND DDVWAREAQQ EFYGERDGWS KEQLFPPDMC DATA SEQUENCE IVKWRTLASE RGRGVRA 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 16 S HA 0.000 nan 4.470 nan 0.000 0.327 16 S C 0.000 174.388 174.600 -0.353 0.000 1.055 16 S CA 0.000 58.102 58.200 -0.163 0.000 1.107 16 S CB 0.000 63.137 63.200 -0.105 0.000 0.593 17 A N 0.399 123.024 122.820 -0.325 0.000 1.887 17 A HA 0.190 4.510 4.320 -0.000 0.000 0.212 17 A C 2.017 179.176 177.584 -0.709 0.000 1.198 17 A CA 1.718 53.368 52.037 -0.645 0.000 0.628 17 A CB -1.207 17.813 19.000 0.033 0.000 0.847 17 A HN 0.753 nan 8.150 nan 0.000 0.449 18 Q N 0.388 120.009 119.800 -0.300 0.000 2.508 18 Q HA -0.080 4.260 4.340 -0.000 0.000 0.214 18 Q C 1.534 177.403 176.000 -0.219 0.000 0.979 18 Q CA 1.709 57.393 55.803 -0.198 0.000 0.911 18 Q CB -0.446 28.237 28.738 -0.092 0.000 0.969 18 Q HN 0.645 nan 8.270 nan 0.000 0.504 19 V N -3.943 115.791 119.914 -0.299 0.000 3.085 19 V HA 0.154 4.274 4.120 -0.000 0.000 0.245 19 V C 1.575 177.508 176.094 -0.268 0.000 1.114 19 V CA 0.811 62.976 62.300 -0.226 0.000 1.108 19 V CB -0.138 31.577 31.823 -0.180 0.000 0.798 19 V HN 0.115 nan 8.190 nan 0.000 0.471 20 K N 0.499 120.602 120.400 -0.495 0.000 2.186 20 K HA 0.108 4.428 4.320 -0.000 0.000 0.202 20 K C 0.630 177.138 176.600 -0.154 0.000 1.052 20 K CA 1.510 57.545 56.287 -0.420 0.000 0.965 20 K CB -0.010 32.050 32.500 -0.734 0.000 0.746 20 K HN 0.832 nan 8.250 nan 0.000 0.457 21 W N -0.011 121.281 121.300 -0.014 0.000 1.177 21 W HA 0.345 5.005 4.660 -0.000 0.000 0.309 21 W C -2.574 173.955 176.519 0.018 0.000 0.863 21 W CA -1.891 55.443 57.345 -0.018 0.000 1.725 21 W CB -0.287 29.132 29.460 -0.067 0.000 1.770 21 W HN -0.205 nan 8.180 nan 0.000 0.479 22 P HA -0.257 nan 4.420 nan 0.000 0.216 22 P C 1.334 178.694 177.300 0.101 0.000 1.153 22 P CA 2.114 65.240 63.100 0.042 0.000 0.858 22 P CB 0.365 32.064 31.700 -0.001 0.000 0.789 23 R N -1.866 118.727 120.500 0.155 0.000 2.148 23 R HA -0.111 4.229 4.340 -0.000 0.000 0.223 23 R C 2.579 179.044 176.300 0.276 0.000 1.088 23 R CA 0.884 57.105 56.100 0.202 0.000 0.985 23 R CB -0.880 29.555 30.300 0.226 0.000 0.880 23 R HN 0.250 nan 8.270 nan 0.000 0.451 24 Y N 1.627 122.020 120.300 0.156 0.000 2.200 24 Y HA -0.098 4.452 4.550 -0.000 0.000 0.290 24 Y C 1.925 177.717 175.900 -0.179 0.000 1.137 24 Y CA 1.245 59.375 58.100 0.050 0.000 1.163 24 Y CB -0.179 38.247 38.460 -0.057 0.000 0.988 24 Y HN -0.087 nan 8.280 nan 0.000 0.518 25 L N -0.230 120.928 121.223 -0.108 0.000 2.201 25 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 25 L C 2.033 178.739 176.870 -0.273 0.000 1.105 25 L CA 1.457 56.075 54.840 -0.369 0.000 0.775 25 L CB -0.449 41.509 42.059 -0.168 0.000 0.913 25 L HN 0.285 nan 8.230 nan 0.000 0.440 26 E N 0.530 120.659 120.200 -0.119 0.000 2.158 26 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 26 E C 1.421 177.975 176.600 -0.076 0.000 0.982 26 E CA 0.574 56.937 56.400 -0.062 0.000 0.823 26 E CB 0.007 29.714 29.700 0.011 0.000 0.766 26 E HN 0.371 nan 8.360 nan 0.000 0.468 27 A N 1.577 124.319 122.820 -0.130 0.000 2.900 27 A HA 0.023 4.343 4.320 -0.000 0.000 0.246 27 A C 1.324 178.883 177.584 -0.041 0.000 1.725 27 A CA 0.191 52.126 52.037 -0.170 0.000 1.400 27 A CB -0.840 17.838 19.000 -0.535 0.000 0.973 27 A HN 0.060 nan 8.150 nan 0.000 0.635 28 T N -0.018 114.525 114.554 -0.018 0.000 2.833 28 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 28 T C 1.295 176.113 174.700 0.197 0.000 1.054 28 T CA 1.349 63.495 62.100 0.076 0.000 1.135 28 T CB -0.125 68.767 68.868 0.041 0.000 0.869 28 T HN 0.377 nan 8.240 nan 0.000 0.466 29 L N 0.438 121.695 121.223 0.056 0.000 2.700 29 L HA 0.465 4.805 4.340 -0.000 0.000 0.234 29 L C 0.969 177.678 176.870 -0.269 0.000 1.156 29 L CA 0.506 55.324 54.840 -0.037 0.000 0.946 29 L CB -0.858 41.180 42.059 -0.036 0.000 1.216 29 L HN 0.414 nan 8.230 nan 0.000 0.493 30 G N -1.404 107.155 108.800 -0.402 0.000 2.655 30 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.680 30 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.680 30 G C -0.825 173.765 174.900 -0.516 0.000 1.302 30 G CA -0.744 43.794 45.100 -0.936 0.000 0.872 30 G HN -0.096 nan 8.290 nan 0.000 0.540 31 F N 2.297 122.104 119.950 -0.238 0.000 2.404 31 F HA 0.485 5.012 4.527 -0.000 0.000 0.354 31 F C 0.768 176.666 175.800 0.164 0.000 1.122 31 F CA -0.565 57.470 58.000 0.059 0.000 1.080 31 F CB 1.539 40.627 39.000 0.148 0.000 1.131 31 F HN 0.662 nan 8.300 nan 0.000 0.471 32 D N 1.181 121.752 120.400 0.285 0.000 2.478 32 D HA 0.242 4.882 4.640 -0.000 0.000 0.263 32 D C -0.072 176.230 176.300 0.002 0.000 1.153 32 D CA -0.679 53.386 54.000 0.108 0.000 1.038 32 D CB 0.460 41.257 40.800 -0.005 0.000 1.120 32 D HN 0.407 nan 8.370 nan 0.000 0.564 33 N N -0.569 117.944 118.700 -0.311 0.000 2.816 33 N HA -0.151 4.589 4.740 -0.000 0.000 0.247 33 N C -1.235 173.938 175.510 -0.562 0.000 1.100 33 N CA 0.546 53.344 53.050 -0.419 0.000 0.687 33 N CB -1.444 36.970 38.487 -0.122 0.000 1.003 33 N HN 0.546 nan 8.380 nan 0.000 0.554 34 H N -1.902 116.741 119.070 -0.712 0.000 3.016 34 H HA 0.250 4.806 4.556 -0.000 0.000 0.362 34 H C -0.373 174.562 175.328 -0.655 0.000 1.233 34 H CA -0.407 55.398 56.048 -0.405 0.000 1.124 34 H CB 0.663 30.264 29.762 -0.269 0.000 1.850 34 H HN 0.034 nan 8.280 nan 0.000 0.549 35 W N 1.777 123.005 121.300 -0.119 0.000 2.315 35 W HA 0.298 4.958 4.660 -0.000 0.000 0.316 35 W C 0.374 176.732 176.519 -0.268 0.000 1.211 35 W CA 0.145 57.437 57.345 -0.088 0.000 1.201 35 W CB 0.637 30.050 29.460 -0.079 0.000 1.184 35 W HN 0.315 nan 8.180 nan 0.000 0.544 36 H N 3.071 122.319 119.070 0.298 0.000 2.771 36 H HA 0.269 4.825 4.556 -0.000 0.000 0.361 36 H C -2.286 173.060 175.328 0.029 0.000 1.108 36 H CA -1.871 54.257 56.048 0.134 0.000 1.201 36 H CB 2.120 31.882 29.762 -0.001 0.000 1.681 36 H HN 0.052 nan 8.280 nan 0.000 0.534 37 P HA 0.143 nan 4.420 nan 0.000 0.275 37 P C -0.169 176.778 177.300 -0.588 0.000 1.227 37 P CA -0.039 62.517 63.100 -0.905 0.000 0.781 37 P CB 1.527 32.058 31.700 -1.948 0.000 0.906 38 A N 2.621 125.217 122.820 -0.373 0.000 2.070 38 A HA 0.652 4.972 4.320 -0.000 0.000 0.202 38 A C 0.776 178.375 177.584 0.025 0.000 1.277 38 A CA 1.041 53.032 52.037 -0.077 0.000 0.872 38 A CB -0.024 18.919 19.000 -0.094 0.000 0.933 38 A HN 0.738 nan 8.150 nan 0.000 0.475 39 A N -1.804 120.918 122.820 -0.163 0.000 2.483 39 A HA 0.613 4.933 4.320 -0.000 0.000 0.294 39 A C -1.792 175.518 177.584 -0.457 0.000 1.077 39 A CA -0.654 51.261 52.037 -0.203 0.000 0.633 39 A CB -0.161 18.773 19.000 -0.111 0.000 1.318 39 A HN 0.276 nan 8.150 nan 0.000 0.455 40 F N 0.762 120.600 119.950 -0.186 0.000 2.404 40 F HA 0.360 4.887 4.527 -0.000 0.000 0.339 40 F C 1.387 176.986 175.800 -0.335 0.000 1.105 40 F CA 0.232 58.061 58.000 -0.286 0.000 1.087 40 F CB 1.504 40.259 39.000 -0.408 0.000 1.143 40 F HN 0.856 nan 8.300 nan 0.000 0.491 41 D N 1.069 121.439 120.400 -0.049 0.000 2.158 41 D HA -0.261 4.379 4.640 -0.000 0.000 0.197 41 D C 2.253 178.541 176.300 -0.020 0.000 0.995 41 D CA 1.823 55.801 54.000 -0.037 0.000 0.846 41 D CB -0.128 40.679 40.800 0.012 0.000 0.941 41 D HN 0.678 nan 8.370 nan 0.000 0.456 42 H N -0.400 118.714 119.070 0.075 0.000 2.545 42 H HA 0.033 4.589 4.556 -0.000 0.000 0.282 42 H C 1.172 176.525 175.328 0.041 0.000 1.020 42 H CA 0.935 57.009 56.048 0.043 0.000 1.243 42 H CB -0.234 29.542 29.762 0.023 0.000 1.377 42 H HN 0.333 nan 8.280 nan 0.000 0.581 43 E N 0.788 120.837 120.200 -0.252 0.000 2.427 43 E HA 0.141 4.491 4.350 -0.000 0.000 0.196 43 E C 0.033 176.618 176.600 -0.025 0.000 1.028 43 E CA 0.054 56.395 56.400 -0.099 0.000 0.864 43 E CB 0.362 29.982 29.700 -0.133 0.000 0.813 43 E HN 0.429 nan 8.360 nan 0.000 0.514 44 L N 0.902 122.108 121.223 -0.029 0.000 2.343 44 L HA 0.466 4.806 4.340 -0.000 0.000 0.278 44 L C -0.397 176.457 176.870 -0.026 0.000 0.996 44 L CA -0.725 54.094 54.840 -0.034 0.000 0.831 44 L CB 1.685 43.712 42.059 -0.053 0.000 1.232 44 L HN -0.090 nan 8.230 nan 0.000 0.413 45 A N 2.068 124.868 122.820 -0.033 0.000 2.269 45 A HA 0.601 4.921 4.320 -0.000 0.000 0.327 45 A C -0.353 177.189 177.584 -0.069 0.000 1.112 45 A CA -0.545 51.474 52.037 -0.031 0.000 0.865 45 A CB 1.045 20.037 19.000 -0.015 0.000 1.227 45 A HN 0.639 nan 8.150 nan 0.000 0.498 46 E N 0.019 120.183 120.200 -0.060 0.000 2.529 46 E HA 0.328 4.678 4.350 -0.000 0.000 0.259 46 E C 1.257 177.785 176.600 -0.120 0.000 0.966 46 E CA 1.781 58.133 56.400 -0.081 0.000 0.937 46 E CB -0.166 29.504 29.700 -0.050 0.000 0.923 46 E HN 1.755 nan 8.360 nan 0.000 0.468 47 G N 3.431 112.115 108.800 -0.194 0.000 2.189 47 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.267 47 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.267 47 G C 0.319 174.971 174.900 -0.414 0.000 0.975 47 G CA 0.536 45.471 45.100 -0.276 0.000 0.644 47 G HN 0.610 nan 8.290 nan 0.000 0.537 48 E N -0.698 119.297 120.200 -0.342 0.000 2.318 48 E HA 0.661 5.011 4.350 -0.000 0.000 0.265 48 E C -0.560 175.773 176.600 -0.446 0.000 1.069 48 E CA -0.782 55.465 56.400 -0.256 0.000 0.893 48 E CB 0.417 30.060 29.700 -0.095 0.000 1.076 48 E HN 0.109 nan 8.360 nan 0.000 0.414 49 F N 1.150 121.103 119.950 0.005 0.000 2.546 49 F HA 0.495 5.022 4.527 -0.000 0.000 0.320 49 F C -0.541 175.266 175.800 0.012 0.000 1.076 49 F CA -0.797 57.211 58.000 0.013 0.000 0.928 49 F CB 2.015 41.029 39.000 0.025 0.000 1.189 49 F HN 0.095 nan 8.300 nan 0.000 0.465 50 V N 1.990 122.030 119.914 0.210 0.000 2.612 50 V HA 0.696 4.816 4.120 -0.000 0.000 0.301 50 V C -0.721 175.434 176.094 0.103 0.000 1.059 50 V CA -0.996 61.371 62.300 0.113 0.000 0.886 50 V CB 1.639 33.491 31.823 0.048 0.000 1.007 50 V HN 0.920 nan 8.190 nan 0.000 0.426 51 A N 4.771 127.638 122.820 0.078 0.000 2.290 51 A HA 0.929 5.249 4.320 -0.000 0.000 0.310 51 A C -0.321 177.277 177.584 0.023 0.000 1.202 51 A CA -0.380 51.690 52.037 0.056 0.000 0.837 51 A CB 1.267 20.295 19.000 0.047 0.000 1.139 51 A HN 1.624 nan 8.150 nan 0.000 0.509 52 V N -0.309 119.608 119.914 0.006 0.000 3.130 52 V HA 0.902 5.022 4.120 -0.000 0.000 0.310 52 V C -0.452 175.626 176.094 -0.026 0.000 1.158 52 V CA -0.526 61.767 62.300 -0.010 0.000 1.029 52 V CB 1.771 33.584 31.823 -0.017 0.000 1.057 52 V HN 0.708 nan 8.190 nan 0.000 0.436 53 T N 4.320 118.861 114.554 -0.021 0.000 2.847 53 T HA 0.682 5.032 4.350 -0.000 0.000 0.291 53 T C -0.520 174.156 174.700 -0.039 0.000 0.998 53 T CA -0.176 61.906 62.100 -0.030 0.000 0.967 53 T CB 0.904 69.766 68.868 -0.010 0.000 0.954 53 T HN 0.743 nan 8.240 nan 0.000 0.441 54 M N 3.749 123.301 119.600 -0.079 0.000 2.190 54 M HA 0.411 4.891 4.480 -0.000 0.000 0.312 54 M C -0.404 175.821 176.300 -0.126 0.000 0.990 54 M CA -0.854 54.380 55.300 -0.110 0.000 0.927 54 M CB 1.661 34.177 32.600 -0.140 0.000 1.571 54 M HN 0.386 nan 8.290 nan 0.000 0.427 55 L N 3.280 124.409 121.223 -0.157 0.000 3.742 55 L HA -0.274 4.066 4.340 -0.000 0.000 0.431 55 L C 1.057 177.878 176.870 -0.081 0.000 1.220 55 L CA 1.420 56.163 54.840 -0.161 0.000 0.863 55 L CB -2.293 39.641 42.059 -0.208 0.000 1.751 55 L HN 1.214 nan 8.230 nan 0.000 0.922 56 G N -2.288 106.482 108.800 -0.049 0.000 2.199 56 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.254 56 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.254 56 G C 0.248 175.140 174.900 -0.014 0.000 0.982 56 G CA 0.340 45.428 45.100 -0.021 0.000 0.632 56 G HN 0.523 nan 8.290 nan 0.000 0.529 57 E N 0.740 120.926 120.200 -0.024 0.000 2.175 57 E HA 0.440 4.790 4.350 -0.000 0.000 0.278 57 E C -0.178 176.402 176.600 -0.034 0.000 0.969 57 E CA -0.656 55.741 56.400 -0.005 0.000 0.796 57 E CB 1.153 30.876 29.700 0.037 0.000 1.104 57 E HN 0.225 nan 8.360 nan 0.000 0.395 58 K N 2.212 122.603 120.400 -0.015 0.000 2.316 58 K HA 0.244 4.564 4.320 -0.000 0.000 0.289 58 K C -0.712 175.872 176.600 -0.026 0.000 1.070 58 K CA -0.243 56.031 56.287 -0.023 0.000 0.928 58 K CB 0.877 33.366 32.500 -0.018 0.000 1.039 58 K HN 0.189 nan 8.250 nan 0.000 0.480 59 V N 4.601 124.476 119.914 -0.067 0.000 2.513 59 V HA 0.325 4.445 4.120 -0.000 0.000 0.299 59 V C -0.677 175.420 176.094 0.006 0.000 1.035 59 V CA -1.062 61.179 62.300 -0.098 0.000 0.889 59 V CB 1.635 33.280 31.823 -0.297 0.000 0.988 59 V HN 0.533 nan 8.190 nan 0.000 0.440 60 L N 5.955 127.231 121.223 0.089 0.000 2.305 60 L HA 0.642 4.982 4.340 -0.000 0.000 0.284 60 L C -0.741 176.223 176.870 0.157 0.000 1.013 60 L CA 0.202 55.141 54.840 0.165 0.000 0.819 60 L CB 1.057 43.283 42.059 0.278 0.000 1.227 60 L HN 0.532 nan 8.230 nan 0.000 0.417 61 L N 4.314 125.621 121.223 0.140 0.000 2.331 61 L HA 0.825 5.165 4.340 -0.000 0.000 0.275 61 L C 0.077 177.000 176.870 0.090 0.000 1.022 61 L CA -0.481 54.414 54.840 0.091 0.000 0.812 61 L CB 1.960 44.038 42.059 0.031 0.000 1.257 61 L HN 0.653 nan 8.230 nan 0.000 0.435 62 T N 0.813 115.363 114.554 -0.007 0.000 2.749 62 T HA 0.339 4.689 4.350 -0.000 0.000 0.310 62 T C -1.616 172.998 174.700 -0.144 0.000 1.496 62 T CA -0.721 61.267 62.100 -0.186 0.000 1.006 62 T CB 1.879 70.512 68.868 -0.392 0.000 1.457 62 T HN 0.648 nan 8.240 nan 0.000 0.497 63 R N 1.665 122.048 120.500 -0.196 0.000 2.288 63 R HA 0.758 5.098 4.340 -0.000 0.000 0.326 63 R C -1.074 175.154 176.300 -0.120 0.000 0.959 63 R CA -0.506 55.524 56.100 -0.117 0.000 0.834 63 R CB 0.826 31.069 30.300 -0.095 0.000 1.157 63 R HN 0.663 nan 8.270 nan 0.000 0.470 64 A N 4.237 127.015 122.820 -0.071 0.000 2.291 64 A HA 0.326 4.646 4.320 -0.000 0.000 0.311 64 A C -0.295 177.273 177.584 -0.026 0.000 1.224 64 A CA -0.606 51.401 52.037 -0.051 0.000 0.821 64 A CB 0.577 19.561 19.000 -0.027 0.000 1.172 64 A HN 0.936 nan 8.150 nan 0.000 0.494 65 K N 1.773 122.159 120.400 -0.024 0.000 3.077 65 K HA -0.254 4.066 4.320 -0.000 0.000 0.264 65 K C 1.040 177.633 176.600 -0.012 0.000 1.008 65 K CA 0.900 57.179 56.287 -0.013 0.000 0.740 65 K CB -1.905 30.593 32.500 -0.003 0.000 1.273 65 K HN 2.292 nan 8.250 nan 0.000 0.477 66 G N -0.259 108.530 108.800 -0.019 0.000 2.234 66 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 66 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 66 G C -0.135 174.758 174.900 -0.012 0.000 0.987 66 G CA 0.798 45.889 45.100 -0.015 0.000 0.625 66 G HN 0.508 nan 8.290 nan 0.000 0.532 67 E N 0.183 120.377 120.200 -0.011 0.000 2.175 67 E HA 0.513 4.863 4.350 -0.000 0.000 0.278 67 E C 0.015 176.611 176.600 -0.007 0.000 0.969 67 E CA -0.849 55.549 56.400 -0.002 0.000 0.796 67 E CB 2.468 32.172 29.700 0.008 0.000 1.104 67 E HN 0.091 nan 8.360 nan 0.000 0.395 68 V N 4.596 124.510 119.914 -0.001 0.000 2.508 68 V HA 0.072 4.192 4.120 -0.000 0.000 0.281 68 V C 0.176 176.286 176.094 0.027 0.000 1.041 68 V CA 0.049 62.348 62.300 -0.002 0.000 1.016 68 V CB 0.292 32.112 31.823 -0.005 0.000 0.984 68 V HN 0.524 nan 8.190 nan 0.000 0.478 69 K N 3.564 123.983 120.400 0.030 0.000 2.328 69 K HA 0.862 5.182 4.320 -0.000 0.000 0.246 69 K C -0.567 176.088 176.600 0.092 0.000 0.955 69 K CA -0.614 55.714 56.287 0.068 0.000 0.817 69 K CB 2.454 34.991 32.500 0.062 0.000 1.208 69 K HN 0.670 nan 8.250 nan 0.000 0.432 70 A N 2.631 125.535 122.820 0.140 0.000 2.343 70 A HA 0.749 5.069 4.320 -0.000 0.000 0.308 70 A C -1.007 176.748 177.584 0.284 0.000 1.092 70 A CA -0.746 51.389 52.037 0.164 0.000 0.751 70 A CB 0.688 19.763 19.000 0.125 0.000 1.203 70 A HN 0.771 nan 8.150 nan 0.000 0.452 71 I N 1.571 122.305 120.570 0.272 0.000 2.865 71 I HA 0.711 4.881 4.170 -0.000 0.000 0.302 71 I C 0.381 176.716 176.117 0.364 0.000 1.140 71 I CA -1.011 60.481 61.300 0.319 0.000 1.021 71 I CB 2.011 40.132 38.000 0.201 0.000 1.233 71 I HN 0.821 nan 8.210 nan 0.000 0.427 72 A N 3.724 126.782 122.820 0.395 0.000 2.548 72 A HA 0.024 4.344 4.320 -0.000 0.000 0.247 72 A C 0.015 177.721 177.584 0.204 0.000 1.067 72 A CA 0.208 52.434 52.037 0.314 0.000 0.757 72 A CB -0.171 18.942 19.000 0.188 0.000 0.996 72 A HN 0.702 nan 8.150 nan 0.000 0.504 73 D N 2.190 122.654 120.400 0.107 0.000 2.934 73 D HA 0.404 5.044 4.640 -0.000 0.000 0.237 73 D C 0.284 176.424 176.300 -0.266 0.000 1.158 73 D CA 0.957 54.965 54.000 0.014 0.000 0.971 73 D CB -0.531 40.296 40.800 0.046 0.000 1.123 73 D HN 0.691 nan 8.370 nan 0.000 0.467 74 G N 0.668 109.176 108.800 -0.487 0.000 2.552 74 G HA2 0.240 4.200 3.960 -0.000 0.000 0.288 74 G HA3 0.240 4.200 3.960 -0.000 0.000 0.288 74 G C -0.698 173.847 174.900 -0.592 0.000 1.358 74 G CA -0.667 44.130 45.100 -0.505 0.000 1.305 74 G HN 0.312 nan 8.290 nan 0.000 0.602 75 C N 2.481 121.363 119.300 -0.697 0.000 2.662 75 C HA 0.524 4.984 4.460 -0.000 0.000 0.420 75 C C 2.090 177.041 174.990 -0.064 0.000 1.314 75 C CA 0.550 59.406 59.018 -0.270 0.000 1.963 75 C CB 0.179 27.827 27.740 -0.154 0.000 2.686 75 C HN 1.060 nan 8.230 nan 0.000 0.609 76 A N 3.008 125.936 122.820 0.180 0.000 2.066 76 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 76 A C 2.042 179.655 177.584 0.047 0.000 1.157 76 A CA 1.603 53.757 52.037 0.195 0.000 0.670 76 A CB -0.853 18.419 19.000 0.452 0.000 0.804 76 A HN 1.069 nan 8.150 nan 0.000 0.453 77 H N -0.385 118.420 119.070 -0.441 0.000 2.300 77 H HA 0.105 4.661 4.556 -0.000 0.000 0.302 77 H C 0.946 176.022 175.328 -0.420 0.000 1.049 77 H CA 1.026 56.559 56.048 -0.859 0.000 1.254 77 H CB 0.092 28.840 29.762 -1.691 0.000 1.396 77 H HN 0.317 nan 8.280 nan 0.000 0.518 78 R N -0.226 119.976 120.500 -0.497 0.000 2.652 78 R HA 0.144 4.484 4.340 -0.000 0.000 0.372 78 R C 0.608 176.794 176.300 -0.190 0.000 1.104 78 R CA 0.375 56.251 56.100 -0.373 0.000 1.072 78 R CB 1.097 31.153 30.300 -0.406 0.000 1.367 78 R HN 0.695 nan 8.270 nan 0.000 0.577 79 G N 1.513 110.208 108.800 -0.174 0.000 2.244 79 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.274 79 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.274 79 G C 0.518 175.323 174.900 -0.159 0.000 1.002 79 G CA 0.793 45.804 45.100 -0.148 0.000 0.740 79 G HN 0.329 nan 8.290 nan 0.000 0.516 80 V N -2.539 117.269 119.914 -0.176 0.000 2.924 80 V HA 0.678 4.798 4.120 -0.000 0.000 0.305 80 V C -1.641 174.334 176.094 -0.198 0.000 1.073 80 V CA -2.171 60.063 62.300 -0.110 0.000 1.098 80 V CB 1.238 33.014 31.823 -0.078 0.000 1.000 80 V HN 0.073 nan 8.190 nan 0.000 0.484 81 P HA 0.376 nan 4.420 nan 0.000 0.280 81 P C -0.134 177.225 177.300 0.100 0.000 1.244 81 P CA -0.266 62.774 63.100 -0.100 0.000 0.784 81 P CB 0.507 32.205 31.700 -0.003 0.000 0.913 82 F N 0.666 120.711 119.950 0.158 0.000 2.186 82 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 82 F C 2.420 178.287 175.800 0.112 0.000 1.090 82 F CA 1.658 59.766 58.000 0.180 0.000 1.307 82 F CB -1.733 37.288 39.000 0.034 0.000 1.019 82 F HN 0.264 nan 8.300 nan 0.000 0.489 83 S N -0.160 115.653 115.700 0.188 0.000 2.462 83 S HA -0.208 4.262 4.470 -0.000 0.000 0.243 83 S C 1.946 176.532 174.600 -0.024 0.000 1.003 83 S CA 0.832 59.061 58.200 0.049 0.000 0.970 83 S CB -0.435 62.791 63.200 0.044 0.000 0.762 83 S HN 0.244 nan 8.310 nan 0.000 0.510 84 K N 1.195 121.580 120.400 -0.025 0.000 2.097 84 K HA 0.071 4.391 4.320 -0.000 0.000 0.206 84 K C 0.988 177.352 176.600 -0.393 0.000 1.049 84 K CA 1.157 57.285 56.287 -0.264 0.000 0.933 84 K CB -0.175 32.047 32.500 -0.463 0.000 0.717 84 K HN 0.734 nan 8.250 nan 0.000 0.442 85 E N 0.274 120.281 120.200 -0.321 0.000 2.850 85 E HA 0.118 4.468 4.350 -0.000 0.000 0.368 85 E C -2.778 173.804 176.600 -0.030 0.000 1.116 85 E CA -1.205 55.059 56.400 -0.227 0.000 0.787 85 E CB 1.189 30.675 29.700 -0.356 0.000 1.561 85 E HN -0.120 nan 8.360 nan 0.000 0.381 86 P HA 0.094 nan 4.420 nan 0.000 0.267 86 P C -0.534 176.481 177.300 -0.476 0.000 1.205 86 P CA 0.160 62.916 63.100 -0.573 0.000 0.765 86 P CB 0.849 31.725 31.700 -1.374 0.000 0.828 87 L N 3.523 124.552 121.223 -0.324 0.000 2.381 87 L HA 0.623 4.963 4.340 -0.000 0.000 0.268 87 L C -0.184 176.575 176.870 -0.185 0.000 0.997 87 L CA -0.838 53.859 54.840 -0.239 0.000 0.818 87 L CB 2.426 44.380 42.059 -0.176 0.000 1.310 87 L HN 0.445 nan 8.230 nan 0.000 0.416 88 C N 1.993 121.114 119.300 -0.298 0.000 2.505 88 C HA 0.533 4.993 4.460 -0.000 0.000 0.342 88 C C 0.016 174.787 174.990 -0.365 0.000 1.121 88 C CA -0.406 58.519 59.018 -0.156 0.000 1.306 88 C CB 0.418 28.215 27.740 0.095 0.000 1.897 88 C HN 0.787 nan 8.230 nan 0.000 0.446 89 F N 3.135 123.142 119.950 0.095 0.000 2.661 89 F HA 0.451 4.978 4.527 -0.000 0.000 0.306 89 F C 0.860 176.691 175.800 0.051 0.000 1.094 89 F CA 0.004 58.045 58.000 0.068 0.000 1.254 89 F CB 0.161 39.197 39.000 0.059 0.000 1.040 89 F HN 0.587 nan 8.300 nan 0.000 0.562 90 K N 0.717 121.214 120.400 0.161 0.000 2.575 90 K HA 0.529 4.849 4.320 -0.000 0.000 0.271 90 K C -0.902 175.738 176.600 0.067 0.000 1.013 90 K CA -0.436 55.915 56.287 0.107 0.000 0.939 90 K CB 0.911 33.476 32.500 0.108 0.000 1.328 90 K HN -0.060 nan 8.250 nan 0.000 0.450 91 A N 2.237 125.081 122.820 0.040 0.000 2.584 91 A HA 0.380 4.700 4.320 -0.000 0.000 0.239 91 A C 1.297 178.897 177.584 0.026 0.000 1.043 91 A CA 1.709 53.756 52.037 0.017 0.000 0.756 91 A CB -0.615 18.387 19.000 0.004 0.000 0.963 91 A HN 1.521 nan 8.150 nan 0.000 0.511 92 G N 1.298 110.112 108.800 0.024 0.000 2.218 92 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.216 92 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.216 92 G C 0.469 175.401 174.900 0.055 0.000 0.994 92 G CA 0.750 45.871 45.100 0.035 0.000 0.637 92 G HN 2.427 nan 8.290 nan 0.000 0.505 93 T N -2.719 111.875 114.554 0.066 0.000 2.901 93 T HA 0.810 5.160 4.350 -0.000 0.000 0.293 93 T C -0.851 173.906 174.700 0.095 0.000 1.084 93 T CA -0.231 61.922 62.100 0.088 0.000 1.008 93 T CB 2.843 71.767 68.868 0.093 0.000 1.170 93 T HN 1.533 nan 8.240 nan 0.000 0.509 94 V N 0.541 120.506 119.914 0.086 0.000 2.841 94 V HA 0.760 4.880 4.120 -0.000 0.000 0.310 94 V C -1.123 174.984 176.094 0.023 0.000 1.090 94 V CA -0.410 61.900 62.300 0.016 0.000 0.930 94 V CB 2.390 34.128 31.823 -0.142 0.000 1.014 94 V HN 1.187 nan 8.190 nan 0.000 0.425 95 S N 4.434 120.151 115.700 0.028 0.000 2.473 95 S HA 0.422 4.892 4.470 -0.000 0.000 0.307 95 S C -0.501 174.195 174.600 0.161 0.000 1.094 95 S CA -0.378 57.922 58.200 0.167 0.000 1.070 95 S CB 1.347 64.764 63.200 0.362 0.000 1.019 95 S HN 1.075 nan 8.310 nan 0.000 0.480 96 C N 5.769 125.246 119.300 0.295 0.000 2.662 96 C HA 0.227 4.687 4.460 -0.000 0.000 0.420 96 C C 1.976 177.093 174.990 0.211 0.000 1.314 96 C CA -0.550 58.668 59.018 0.334 0.000 1.963 96 C CB -0.653 27.311 27.740 0.373 0.000 2.686 96 C HN 1.058 nan 8.230 nan 0.000 0.609 97 W N 4.514 125.981 121.300 0.279 0.000 2.595 97 W HA -0.034 4.626 4.660 -0.000 0.000 0.257 97 W C 1.382 178.031 176.519 0.217 0.000 1.267 97 W CA 0.301 57.763 57.345 0.194 0.000 1.300 97 W CB -1.158 28.360 29.460 0.096 0.000 1.120 97 W HN 0.802 nan 8.180 nan 0.000 0.618 98 Y N 2.149 122.101 120.300 -0.580 0.000 2.134 98 Y HA -0.078 4.472 4.550 -0.000 0.000 0.283 98 Y C 1.543 177.179 175.900 -0.440 0.000 1.108 98 Y CA 1.656 59.392 58.100 -0.607 0.000 1.096 98 Y CB -0.950 36.898 38.460 -1.019 0.000 1.005 98 Y HN -0.024 nan 8.280 nan 0.000 0.487 99 H N -1.387 117.682 119.070 -0.002 0.000 2.674 99 H HA 0.364 4.920 4.556 -0.000 0.000 0.274 99 H C 1.330 176.769 175.328 0.185 0.000 1.121 99 H CA 0.297 56.366 56.048 0.034 0.000 1.132 99 H CB 0.371 30.102 29.762 -0.052 0.000 1.606 99 H HN 0.413 nan 8.280 nan 0.000 0.558 100 G N 0.174 109.146 108.800 0.287 0.000 2.153 100 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.252 100 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.252 100 G C -0.366 174.733 174.900 0.332 0.000 0.994 100 G CA -0.196 45.077 45.100 0.289 0.000 0.698 100 G HN 0.231 nan 8.290 nan 0.000 0.521 101 W N 1.072 122.405 121.300 0.054 0.000 2.322 101 W HA 0.512 5.172 4.660 -0.000 0.000 0.328 101 W C 0.787 177.224 176.519 -0.136 0.000 1.395 101 W CA 0.385 57.672 57.345 -0.096 0.000 1.267 101 W CB 0.322 29.739 29.460 -0.071 0.000 1.259 101 W HN 0.064 nan 8.180 nan 0.000 0.560 102 T N 4.849 119.321 114.554 -0.135 0.000 2.797 102 T HA 0.470 4.820 4.350 -0.000 0.000 0.279 102 T C -1.111 173.429 174.700 -0.267 0.000 0.991 102 T CA -0.438 61.614 62.100 -0.082 0.000 0.979 102 T CB 0.667 69.543 68.868 0.014 0.000 0.943 102 T HN 0.015 nan 8.240 nan 0.000 0.444 103 Y N 0.750 121.073 120.300 0.039 0.000 2.468 103 Y HA 0.425 4.975 4.550 -0.000 0.000 0.342 103 Y C 0.408 176.322 175.900 0.024 0.000 1.021 103 Y CA -1.456 56.667 58.100 0.039 0.000 1.079 103 Y CB 0.993 39.490 38.460 0.062 0.000 1.226 103 Y HN 0.488 nan 8.280 nan 0.000 0.460 104 D N 2.213 122.724 120.400 0.185 0.000 2.312 104 D HA 0.130 4.770 4.640 -0.000 0.000 0.252 104 D C 0.658 177.032 176.300 0.123 0.000 1.150 104 D CA 0.166 54.235 54.000 0.115 0.000 0.870 104 D CB 1.225 42.072 40.800 0.078 0.000 1.153 104 D HN 0.684 nan 8.370 nan 0.000 0.457 105 L N 2.855 124.137 121.223 0.097 0.000 2.291 105 L HA -0.104 4.236 4.340 -0.000 0.000 0.214 105 L C 1.509 178.427 176.870 0.080 0.000 1.120 105 L CA 0.548 55.443 54.840 0.090 0.000 0.799 105 L CB -0.050 42.055 42.059 0.076 0.000 0.925 105 L HN 0.367 nan 8.230 nan 0.000 0.446 106 D N 0.377 120.817 120.400 0.066 0.000 2.194 106 D HA -0.121 4.519 4.640 -0.000 0.000 0.204 106 D C 1.029 177.360 176.300 0.050 0.000 0.964 106 D CA 1.381 55.413 54.000 0.054 0.000 0.846 106 D CB 0.078 40.903 40.800 0.041 0.000 0.962 106 D HN 0.560 nan 8.370 nan 0.000 0.490 107 D N -2.382 118.053 120.400 0.057 0.000 2.525 107 D HA 0.187 4.827 4.640 -0.000 0.000 0.231 107 D C 1.387 177.728 176.300 0.070 0.000 1.216 107 D CA 0.341 54.370 54.000 0.049 0.000 0.813 107 D CB -0.006 40.817 40.800 0.038 0.000 1.108 107 D HN 0.063 nan 8.370 nan 0.000 0.524 108 G N 0.887 109.748 108.800 0.103 0.000 2.180 108 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.263 108 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.263 108 G C 0.212 175.258 174.900 0.243 0.000 0.989 108 G CA 0.086 45.274 45.100 0.148 0.000 0.692 108 G HN 0.343 nan 8.290 nan 0.000 0.526 109 R N -0.657 119.954 120.500 0.186 0.000 2.539 109 R HA 0.367 4.707 4.340 -0.000 0.000 0.275 109 R C 0.365 176.755 176.300 0.150 0.000 1.077 109 R CA -0.876 55.319 56.100 0.159 0.000 1.097 109 R CB 0.979 31.320 30.300 0.067 0.000 1.018 109 R HN 0.285 nan 8.270 nan 0.000 0.483 110 L N 4.305 125.553 121.223 0.041 0.000 2.407 110 L HA 0.010 4.350 4.340 -0.000 0.000 0.282 110 L C 0.971 177.717 176.870 -0.207 0.000 1.110 110 L CA 0.316 55.004 54.840 -0.255 0.000 0.863 110 L CB 0.784 42.631 42.059 -0.352 0.000 1.207 110 L HN 0.555 nan 8.230 nan 0.000 0.454 111 V N 0.492 120.296 119.914 -0.183 0.000 3.590 111 V HA 0.449 4.569 4.120 -0.000 0.000 0.265 111 V C 0.421 176.422 176.094 -0.155 0.000 1.239 111 V CA 0.371 62.595 62.300 -0.126 0.000 1.117 111 V CB -0.128 31.662 31.823 -0.056 0.000 0.818 111 V HN 0.795 nan 8.190 nan 0.000 0.451 112 D N -1.423 118.846 120.400 -0.219 0.000 2.755 112 D HA 0.457 5.097 4.640 -0.000 0.000 0.277 112 D C -1.800 174.339 176.300 -0.268 0.000 1.261 112 D CA -0.145 53.733 54.000 -0.204 0.000 0.759 112 D CB 2.638 43.369 40.800 -0.114 0.000 1.279 112 D HN -0.084 nan 8.370 nan 0.000 0.420 113 V N 2.926 122.702 119.914 -0.230 0.000 2.462 113 V HA 0.208 4.328 4.120 -0.000 0.000 0.288 113 V C 1.440 177.482 176.094 -0.087 0.000 1.020 113 V CA -0.499 61.678 62.300 -0.205 0.000 0.857 113 V CB 1.413 33.028 31.823 -0.346 0.000 1.013 113 V HN 0.554 nan 8.190 nan 0.000 0.431 114 L N 2.561 123.770 121.223 -0.022 0.000 2.187 114 L HA -0.117 4.223 4.340 -0.000 0.000 0.213 114 L C 2.405 179.264 176.870 -0.019 0.000 1.100 114 L CA 2.043 56.862 54.840 -0.036 0.000 0.765 114 L CB -0.445 41.587 42.059 -0.045 0.000 0.904 114 L HN 0.889 nan 8.230 nan 0.000 0.437 115 T N -5.825 108.746 114.554 0.028 0.000 3.107 115 T HA 0.038 4.388 4.350 -0.000 0.000 0.249 115 T C 0.884 175.590 174.700 0.010 0.000 1.096 115 T CA 0.306 62.429 62.100 0.037 0.000 1.012 115 T CB 0.317 69.245 68.868 0.099 0.000 0.977 115 T HN 0.113 nan 8.240 nan 0.000 0.527 116 S N 2.805 118.489 115.700 -0.026 0.000 2.680 116 S HA 0.349 4.819 4.470 -0.000 0.000 0.140 116 S C -3.061 171.487 174.600 -0.087 0.000 1.357 116 S CA -1.094 57.075 58.200 -0.052 0.000 1.201 116 S CB 0.669 63.834 63.200 -0.057 0.000 1.547 116 S HN 0.170 nan 8.310 nan 0.000 0.411 117 P HA 0.230 nan 4.420 nan 0.000 0.264 117 P C 1.024 178.273 177.300 -0.085 0.000 1.183 117 P CA 1.445 64.496 63.100 -0.082 0.000 0.763 117 P CB 0.406 32.068 31.700 -0.063 0.000 0.807 118 G N 1.663 110.403 108.800 -0.100 0.000 2.162 118 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 118 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 118 G C 0.453 175.287 174.900 -0.110 0.000 0.976 118 G CA 0.288 45.332 45.100 -0.094 0.000 0.655 118 G HN 0.816 nan 8.290 nan 0.000 0.533 119 S N 1.243 116.857 115.700 -0.142 0.000 2.558 119 S HA 0.326 4.796 4.470 -0.000 0.000 0.293 119 S C 0.340 174.840 174.600 -0.166 0.000 1.292 119 S CA 0.014 58.118 58.200 -0.160 0.000 1.063 119 S CB 0.953 64.015 63.200 -0.229 0.000 0.831 119 S HN 0.277 nan 8.310 nan 0.000 0.499 120 P HA -0.067 nan 4.420 nan 0.000 0.225 120 P C 1.343 178.556 177.300 -0.145 0.000 1.148 120 P CA 0.997 64.028 63.100 -0.116 0.000 0.779 120 P CB -0.366 31.285 31.700 -0.081 0.000 0.780 121 V N -3.304 116.484 119.914 -0.210 0.000 3.041 121 V HA 0.015 4.135 4.120 -0.000 0.000 0.260 121 V C 1.399 177.310 176.094 -0.304 0.000 1.105 121 V CA 0.184 62.329 62.300 -0.258 0.000 1.125 121 V CB -1.365 30.232 31.823 -0.377 0.000 0.730 121 V HN -0.128 nan 8.190 nan 0.000 0.479 122 I N 2.442 122.829 120.570 -0.305 0.000 2.683 122 I HA 0.400 4.570 4.170 -0.000 0.000 0.286 122 I C 1.631 177.642 176.117 -0.176 0.000 1.175 122 I CA 1.359 62.493 61.300 -0.276 0.000 1.429 122 I CB 0.185 38.043 38.000 -0.237 0.000 1.371 122 I HN 0.470 nan 8.210 nan 0.000 0.569 123 G N 5.043 113.753 108.800 -0.149 0.000 2.253 123 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.251 123 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.251 123 G C 0.893 175.755 174.900 -0.064 0.000 0.998 123 G CA 0.133 45.181 45.100 -0.088 0.000 0.621 123 G HN 0.660 nan 8.290 nan 0.000 0.524 124 K N -0.245 120.107 120.400 -0.080 0.000 2.358 124 K HA 0.507 4.827 4.320 -0.000 0.000 0.197 124 K C 0.565 177.156 176.600 -0.015 0.000 1.025 124 K CA 0.202 56.462 56.287 -0.045 0.000 1.104 124 K CB 0.789 33.258 32.500 -0.052 0.000 0.855 124 K HN 0.449 nan 8.250 nan 0.000 0.531 125 I N -0.173 120.388 120.570 -0.014 0.000 2.828 125 I HA 0.460 4.630 4.170 -0.000 0.000 0.302 125 I C -0.288 175.905 176.117 0.127 0.000 1.101 125 I CA -1.131 60.211 61.300 0.070 0.000 1.031 125 I CB 2.467 40.527 38.000 0.100 0.000 1.231 125 I HN -0.041 nan 8.210 nan 0.000 0.427 126 G N 4.001 112.919 108.800 0.196 0.000 2.673 126 G HA2 0.705 4.665 3.960 -0.000 0.000 0.292 126 G HA3 0.705 4.665 3.960 -0.000 0.000 0.292 126 G C -1.520 173.505 174.900 0.208 0.000 1.450 126 G CA -0.575 44.664 45.100 0.231 0.000 0.837 126 G HN 0.714 nan 8.290 nan 0.000 0.505 127 I N -2.148 118.526 120.570 0.174 0.000 3.108 127 I HA 0.839 5.009 4.170 -0.000 0.000 0.312 127 I C -0.327 175.800 176.117 0.017 0.000 1.095 127 I CA -1.537 59.804 61.300 0.068 0.000 1.000 127 I CB 2.272 40.262 38.000 -0.018 0.000 1.229 127 I HN 0.420 nan 8.210 nan 0.000 0.454 128 K N 2.836 123.215 120.400 -0.035 0.000 2.401 128 K HA 0.427 4.747 4.320 -0.000 0.000 0.278 128 K C -0.853 175.653 176.600 -0.157 0.000 1.018 128 K CA -0.142 56.051 56.287 -0.156 0.000 0.981 128 K CB 0.657 32.991 32.500 -0.277 0.000 0.933 128 K HN 0.620 nan 8.250 nan 0.000 0.477 129 V N 1.865 121.660 119.914 -0.199 0.000 2.715 129 V HA 0.615 4.735 4.120 -0.000 0.000 0.310 129 V C -1.161 174.828 176.094 -0.175 0.000 1.054 129 V CA -1.002 61.274 62.300 -0.040 0.000 0.928 129 V CB 1.068 32.913 31.823 0.037 0.000 1.007 129 V HN 0.638 nan 8.190 nan 0.000 0.437 130 Y N 1.809 122.141 120.300 0.054 0.000 2.468 130 Y HA 0.719 5.269 4.550 -0.000 0.000 0.342 130 Y C -2.447 173.500 175.900 0.078 0.000 1.021 130 Y CA -2.912 55.221 58.100 0.054 0.000 1.079 130 Y CB 1.571 40.062 38.460 0.051 0.000 1.226 130 Y HN 0.464 nan 8.280 nan 0.000 0.460 131 P HA 0.193 nan 4.420 nan 0.000 0.271 131 P C -1.065 176.469 177.300 0.391 0.000 1.216 131 P CA -0.032 63.191 63.100 0.205 0.000 0.771 131 P CB 0.775 32.491 31.700 0.028 0.000 0.864 132 V N 3.815 123.967 119.914 0.397 0.000 2.735 132 V HA 0.501 4.621 4.120 -0.000 0.000 0.310 132 V C -0.313 175.943 176.094 0.271 0.000 1.061 132 V CA -0.439 62.098 62.300 0.396 0.000 0.913 132 V CB 1.929 33.877 31.823 0.207 0.000 1.005 132 V HN 0.474 nan 8.190 nan 0.000 0.428 133 Q N 2.352 122.233 119.800 0.135 0.000 2.263 133 Q HA 0.605 4.945 4.340 -0.000 0.000 0.266 133 Q C -1.989 174.008 176.000 -0.005 0.000 1.002 133 Q CA -0.418 55.330 55.803 -0.092 0.000 0.790 133 Q CB 2.471 30.901 28.738 -0.512 0.000 1.272 133 Q HN 0.589 nan 8.270 nan 0.000 0.435 134 V N 2.420 122.332 119.914 -0.003 0.000 2.383 134 V HA 0.835 4.955 4.120 -0.000 0.000 0.275 134 V C -0.354 175.765 176.094 0.041 0.000 1.036 134 V CA -0.259 62.049 62.300 0.014 0.000 0.889 134 V CB 1.037 32.854 31.823 -0.011 0.000 0.985 134 V HN 0.785 nan 8.190 nan 0.000 0.459 135 A N 3.976 126.877 122.820 0.135 0.000 2.455 135 A HA 0.692 5.012 4.320 -0.000 0.000 0.300 135 A C -0.035 177.650 177.584 0.168 0.000 1.040 135 A CA -0.477 51.643 52.037 0.139 0.000 0.697 135 A CB 1.588 20.672 19.000 0.140 0.000 1.265 135 A HN 0.736 nan 8.150 nan 0.000 0.407 136 Q N 0.612 120.434 119.800 0.037 0.000 2.457 136 Q HA -0.256 4.084 4.340 -0.000 0.000 0.283 136 Q C 1.058 177.025 176.000 -0.054 0.000 1.234 136 Q CA 1.973 57.733 55.803 -0.073 0.000 0.877 136 Q CB -2.093 26.520 28.738 -0.209 0.000 1.250 136 Q HN 2.585 nan 8.270 nan 0.000 0.481 137 G N -2.209 106.585 108.800 -0.010 0.000 2.168 137 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.263 137 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.263 137 G C 0.192 175.113 174.900 0.035 0.000 0.977 137 G CA 0.303 45.421 45.100 0.030 0.000 0.659 137 G HN 0.403 nan 8.290 nan 0.000 0.533 138 V N 0.741 120.608 119.914 -0.078 0.000 2.435 138 V HA 0.571 4.691 4.120 -0.000 0.000 0.290 138 V C 0.630 176.384 176.094 -0.567 0.000 1.030 138 V CA -0.856 61.190 62.300 -0.424 0.000 0.881 138 V CB 2.006 33.425 31.823 -0.673 0.000 0.983 138 V HN 0.210 nan 8.190 nan 0.000 0.445 139 V N 5.682 125.242 119.914 -0.591 0.000 2.408 139 V HA 0.374 4.494 4.120 -0.000 0.000 0.267 139 V C -0.391 175.367 176.094 -0.561 0.000 1.047 139 V CA -0.103 61.956 62.300 -0.401 0.000 0.937 139 V CB 0.324 32.007 31.823 -0.234 0.000 0.999 139 V HN 0.599 nan 8.190 nan 0.000 0.472 140 F N 3.806 123.680 119.950 -0.128 0.000 2.443 140 F HA 0.658 5.185 4.527 -0.000 0.000 0.335 140 F C 0.145 176.094 175.800 0.248 0.000 1.104 140 F CA -0.696 57.282 58.000 -0.036 0.000 1.013 140 F CB 1.913 40.821 39.000 -0.153 0.000 1.136 140 F HN 0.161 nan 8.300 nan 0.000 0.470 141 V N 3.755 123.954 119.914 0.477 0.000 2.540 141 V HA 0.279 4.399 4.120 -0.000 0.000 0.302 141 V C -0.870 175.404 176.094 0.300 0.000 1.035 141 V CA -1.004 61.528 62.300 0.387 0.000 0.873 141 V CB 1.846 33.723 31.823 0.090 0.000 0.992 141 V HN 0.531 nan 8.190 nan 0.000 0.428 142 F N 6.059 125.889 119.950 -0.200 0.000 2.413 142 F HA 0.524 5.051 4.527 -0.000 0.000 0.359 142 F C -0.054 175.626 175.800 -0.199 0.000 1.122 142 F CA -0.593 56.995 58.000 -0.686 0.000 1.160 142 F CB 0.406 38.545 39.000 -1.435 0.000 1.146 142 F HN 0.241 nan 8.300 nan 0.000 0.514 143 I N 5.913 126.116 120.570 -0.612 0.000 2.336 143 I HA 0.660 4.830 4.170 -0.000 0.000 0.292 143 I C 0.453 176.264 176.117 -0.510 0.000 0.991 143 I CA -0.271 60.856 61.300 -0.288 0.000 1.227 143 I CB 0.425 38.366 38.000 -0.099 0.000 1.366 143 I HN 0.740 nan 8.210 nan 0.000 0.466 144 G N 5.692 114.354 108.800 -0.231 0.000 2.359 144 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.314 144 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.314 144 G C -0.454 174.427 174.900 -0.033 0.000 1.364 144 G CA -0.584 44.416 45.100 -0.167 0.000 0.978 144 G HN 0.427 nan 8.290 nan 0.000 0.615 145 D N 0.060 120.459 120.400 -0.002 0.000 2.346 145 D HA 0.100 4.740 4.640 -0.000 0.000 0.206 145 D C 1.038 177.359 176.300 0.035 0.000 1.001 145 D CA 0.681 54.684 54.000 0.006 0.000 0.871 145 D CB 0.563 41.361 40.800 -0.004 0.000 0.943 145 D HN 0.563 nan 8.370 nan 0.000 0.518 146 E N 1.206 121.457 120.200 0.086 0.000 2.369 146 E HA 0.097 4.447 4.350 -0.000 0.000 0.255 146 E C 0.329 176.948 176.600 0.032 0.000 1.172 146 E CA -0.420 56.021 56.400 0.069 0.000 0.932 146 E CB 1.021 30.773 29.700 0.088 0.000 1.040 146 E HN -0.036 nan 8.360 nan 0.000 0.454 147 E N 2.104 122.244 120.200 -0.099 0.000 2.390 147 E HA 0.142 4.492 4.350 -0.000 0.000 0.261 147 E C -2.034 174.198 176.600 -0.613 0.000 1.076 147 E CA -1.738 54.511 56.400 -0.252 0.000 0.905 147 E CB 0.079 29.676 29.700 -0.172 0.000 0.984 147 E HN 0.300 nan 8.360 nan 0.000 0.427 148 P HA 0.087 nan 4.420 nan 0.000 0.275 148 P C -0.338 176.504 177.300 -0.763 0.000 1.228 148 P CA 0.063 62.131 63.100 -1.720 0.000 0.786 148 P CB 0.783 31.599 31.700 -1.473 0.000 0.927 149 H N 0.131 118.912 119.070 -0.482 0.000 2.748 149 H HA 0.617 5.173 4.556 0.000 0.000 0.315 149 H C -0.250 175.126 175.328 0.080 0.000 1.429 149 H CA -1.257 54.697 56.048 -0.157 0.000 1.444 149 H CB 0.308 29.957 29.762 -0.187 0.000 1.827 149 H HN 0.485 nan 8.280 nan 0.000 0.754 150 A N 1.381 124.329 122.820 0.213 0.000 2.524 150 A HA 0.032 4.352 4.320 -0.000 0.000 0.250 150 A C 1.405 179.056 177.584 0.112 0.000 1.078 150 A CA -0.332 51.769 52.037 0.106 0.000 0.761 150 A CB -0.268 18.753 19.000 0.036 0.000 1.012 150 A HN 0.674 nan 8.150 nan 0.000 0.500 151 L N 3.968 125.058 121.223 -0.222 0.000 2.129 151 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 151 L C 2.560 179.243 176.870 -0.313 0.000 1.087 151 L CA 3.031 57.503 54.840 -0.614 0.000 0.757 151 L CB -0.762 40.682 42.059 -1.024 0.000 0.896 151 L HN 0.869 nan 8.230 nan 0.000 0.434 152 S N -1.323 114.258 115.700 -0.199 0.000 2.440 152 S HA -0.201 4.269 4.470 -0.000 0.000 0.238 152 S C 1.626 176.196 174.600 -0.050 0.000 1.010 152 S CA 1.222 59.339 58.200 -0.138 0.000 0.972 152 S CB -0.782 62.364 63.200 -0.091 0.000 0.774 152 S HN 0.720 nan 8.310 nan 0.000 0.501 153 E N 1.059 121.275 120.200 0.026 0.000 2.347 153 E HA -0.038 4.312 4.350 -0.000 0.000 0.196 153 E C 0.320 176.992 176.600 0.120 0.000 1.008 153 E CA 0.800 57.243 56.400 0.072 0.000 0.852 153 E CB -0.106 29.494 29.700 -0.168 0.000 0.783 153 E HN 0.590 nan 8.360 nan 0.000 0.505 154 D N 0.433 120.892 120.400 0.097 0.000 2.463 154 D HA 0.214 4.854 4.640 -0.000 0.000 0.224 154 D C -0.161 176.114 176.300 -0.041 0.000 1.174 154 D CA 0.192 54.260 54.000 0.113 0.000 0.829 154 D CB 0.585 41.509 40.800 0.205 0.000 0.993 154 D HN 0.054 nan 8.370 nan 0.000 0.497 155 L N 0.295 121.446 121.223 -0.120 0.000 2.409 155 L HA 0.427 4.767 4.340 -0.000 0.000 0.262 155 L C -2.563 174.125 176.870 -0.303 0.000 0.992 155 L CA -2.176 52.495 54.840 -0.283 0.000 0.817 155 L CB 2.822 44.604 42.059 -0.462 0.000 1.350 155 L HN -0.351 nan 8.230 nan 0.000 0.411 156 P HA 0.176 nan 4.420 nan 0.000 0.271 156 P C -2.542 174.413 177.300 -0.575 0.000 1.218 156 P CA -1.094 61.541 63.100 -0.776 0.000 0.780 156 P CB -0.004 31.498 31.700 -0.330 0.000 0.901 157 P HA 0.063 nan 4.420 nan 0.000 0.266 157 P C 1.016 178.213 177.300 -0.170 0.000 1.195 157 P CA 1.258 64.096 63.100 -0.436 0.000 0.768 157 P CB 0.136 31.530 31.700 -0.509 0.000 0.838 158 G N 1.978 110.728 108.800 -0.083 0.000 2.284 158 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.230 158 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.230 158 G C 0.956 175.875 174.900 0.031 0.000 1.021 158 G CA 0.206 45.312 45.100 0.010 0.000 0.619 158 G HN 0.496 nan 8.290 nan 0.000 0.510 159 F N 1.492 121.318 119.950 -0.207 0.000 2.120 159 F HA 0.103 4.630 4.527 -0.000 0.000 0.300 159 F C 2.282 177.941 175.800 -0.234 0.000 1.095 159 F CA 2.368 60.107 58.000 -0.434 0.000 1.249 159 F CB -0.077 38.563 39.000 -0.600 0.000 0.995 159 F HN 0.205 nan 8.300 nan 0.000 0.480 160 L N -0.120 121.098 121.223 -0.009 0.000 2.612 160 L HA 0.043 4.383 4.340 -0.000 0.000 0.230 160 L C -0.192 176.628 176.870 -0.083 0.000 1.140 160 L CA -0.339 54.472 54.840 -0.048 0.000 0.896 160 L CB -0.844 41.204 42.059 -0.018 0.000 1.065 160 L HN -0.115 nan 8.230 nan 0.000 0.447 161 D N 1.782 122.129 120.400 -0.087 0.000 2.586 161 D HA -0.119 4.521 4.640 -0.000 0.000 0.234 161 D C 1.422 177.681 176.300 -0.069 0.000 1.132 161 D CA 0.392 54.352 54.000 -0.066 0.000 0.860 161 D CB 0.851 41.618 40.800 -0.055 0.000 1.159 161 D HN 0.426 nan 8.370 nan 0.000 0.490 162 E N 1.728 121.899 120.200 -0.048 0.000 2.208 162 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 162 E C 0.439 177.022 176.600 -0.028 0.000 0.988 162 E CA 0.638 57.016 56.400 -0.037 0.000 0.828 162 E CB 0.013 29.696 29.700 -0.027 0.000 0.763 162 E HN 0.375 nan 8.360 nan 0.000 0.478 163 D N 1.848 122.229 120.400 -0.031 0.000 2.676 163 D HA -0.011 4.629 4.640 -0.000 0.000 0.239 163 D C -0.007 176.272 176.300 -0.034 0.000 1.213 163 D CA 0.149 54.133 54.000 -0.026 0.000 0.835 163 D CB -0.078 40.707 40.800 -0.026 0.000 1.009 163 D HN 0.194 nan 8.370 nan 0.000 0.479 164 T N -3.836 110.697 114.554 -0.035 0.000 2.812 164 T HA 0.531 4.881 4.350 -0.000 0.000 0.294 164 T C -1.271 173.438 174.700 0.015 0.000 1.159 164 T CA -0.906 61.166 62.100 -0.047 0.000 1.008 164 T CB 2.434 71.247 68.868 -0.091 0.000 1.289 164 T HN 0.155 nan 8.240 nan 0.000 0.514 165 H N -0.904 118.108 119.070 -0.097 0.000 2.768 165 H HA 0.756 5.312 4.556 -0.000 0.000 0.371 165 H C -1.790 173.584 175.328 0.077 0.000 1.151 165 H CA -0.774 55.278 56.048 0.006 0.000 1.165 165 H CB 1.315 31.147 29.762 0.117 0.000 1.722 165 H HN 0.589 nan 8.280 nan 0.000 0.543 166 L N 4.396 125.396 121.223 -0.372 0.000 2.362 166 L HA 0.536 4.876 4.340 -0.000 0.000 0.271 166 L C -1.150 175.600 176.870 -0.200 0.000 1.002 166 L CA -0.367 54.397 54.840 -0.128 0.000 0.818 166 L CB 1.848 43.773 42.059 -0.223 0.000 1.298 166 L HN 0.504 nan 8.230 nan 0.000 0.420 167 L N 1.693 122.806 121.223 -0.183 0.000 2.431 167 L HA 0.955 5.295 4.340 -0.000 0.000 0.266 167 L C -0.063 176.465 176.870 -0.570 0.000 0.978 167 L CA -0.382 54.046 54.840 -0.687 0.000 0.822 167 L CB 2.183 43.316 42.059 -1.543 0.000 1.310 167 L HN 0.729 nan 8.230 nan 0.000 0.409 168 G N 2.188 110.673 108.800 -0.524 0.000 2.645 168 G HA2 0.781 4.741 3.960 -0.000 0.000 0.292 168 G HA3 0.781 4.741 3.960 -0.000 0.000 0.292 168 G C -1.642 172.962 174.900 -0.492 0.000 1.415 168 G CA -0.552 44.475 45.100 -0.122 0.000 0.785 168 G HN 0.674 nan 8.290 nan 0.000 0.483 169 I N -2.498 118.047 120.570 -0.041 0.000 3.174 169 I HA 0.942 5.112 4.170 -0.000 0.000 0.313 169 I C -0.815 175.376 176.117 0.123 0.000 1.155 169 I CA -1.528 59.739 61.300 -0.055 0.000 0.977 169 I CB 2.709 40.677 38.000 -0.053 0.000 1.248 169 I HN 0.818 nan 8.210 nan 0.000 0.453 170 R N 2.119 122.615 120.500 -0.007 0.000 2.698 170 R HA 0.817 5.157 4.340 -0.000 0.000 0.275 170 R C -1.498 174.682 176.300 -0.200 0.000 1.001 170 R CA -0.926 54.958 56.100 -0.359 0.000 0.896 170 R CB 2.459 32.197 30.300 -0.935 0.000 1.218 170 R HN 1.000 nan 8.270 nan 0.000 0.462 171 R N 0.392 120.793 120.500 -0.164 0.000 2.734 171 R HA 0.412 4.752 4.340 -0.000 0.000 0.271 171 R C -1.456 174.839 176.300 -0.009 0.000 1.021 171 R CA -0.905 55.178 56.100 -0.029 0.000 0.893 171 R CB 1.945 32.289 30.300 0.073 0.000 1.244 171 R HN 0.536 nan 8.270 nan 0.000 0.464 172 T N 1.401 115.956 114.554 0.002 0.000 2.856 172 T HA 0.416 4.766 4.350 -0.000 0.000 0.292 172 T C -0.531 174.152 174.700 -0.028 0.000 0.980 172 T CA -0.377 61.714 62.100 -0.016 0.000 1.091 172 T CB 1.260 70.128 68.868 0.001 0.000 0.936 172 T HN 0.305 nan 8.240 nan 0.000 0.503 173 V N 4.045 123.870 119.914 -0.148 0.000 2.540 173 V HA 0.271 4.391 4.120 -0.000 0.000 0.302 173 V C -0.010 176.050 176.094 -0.057 0.000 1.035 173 V CA -0.959 61.246 62.300 -0.158 0.000 0.873 173 V CB 2.000 33.577 31.823 -0.410 0.000 0.992 173 V HN 0.726 nan 8.190 nan 0.000 0.428 174 Q N 3.311 123.140 119.800 0.048 0.000 3.254 174 Q HA 0.276 4.616 4.340 -0.000 0.000 0.315 174 Q C 0.262 176.349 176.000 0.145 0.000 1.405 174 Q CA 0.043 55.903 55.803 0.095 0.000 0.966 174 Q CB 0.309 29.100 28.738 0.087 0.000 1.706 174 Q HN 0.879 nan 8.270 nan 0.000 0.525 175 S N -0.732 115.102 115.700 0.224 0.000 2.565 175 S HA 0.298 4.768 4.470 -0.000 0.000 0.269 175 S C -0.539 174.253 174.600 0.320 0.000 1.153 175 S CA -1.035 57.308 58.200 0.238 0.000 0.835 175 S CB 1.620 64.944 63.200 0.208 0.000 1.122 175 S HN 0.388 nan 8.310 nan 0.000 0.462 176 N N 1.587 120.396 118.700 0.182 0.000 2.395 176 N HA -0.036 4.704 4.740 -0.000 0.000 0.246 176 N C 1.581 177.102 175.510 0.018 0.000 1.246 176 N CA 0.434 53.578 53.050 0.157 0.000 0.879 176 N CB 0.403 38.944 38.487 0.090 0.000 1.098 176 N HN 0.945 nan 8.380 nan 0.000 0.444 177 W N 5.178 126.434 121.300 -0.075 0.000 2.350 177 W HA -0.134 4.526 4.660 0.000 0.000 0.289 177 W C 1.166 177.523 176.519 -0.270 0.000 1.215 177 W CA 0.348 57.529 57.345 -0.273 0.000 1.236 177 W CB -0.737 28.701 29.460 -0.037 0.000 1.130 177 W HN 0.586 nan 8.180 nan 0.000 0.541 178 R N 0.826 120.617 120.500 -1.182 0.000 2.115 178 R HA -0.041 4.299 4.340 -0.000 0.000 0.230 178 R C 2.506 178.533 176.300 -0.455 0.000 1.111 178 R CA 1.685 57.192 56.100 -0.988 0.000 0.976 178 R CB -0.555 29.165 30.300 -0.965 0.000 0.870 178 R HN 0.250 nan 8.270 nan 0.000 0.445 179 L N -0.594 120.391 121.223 -0.397 0.000 2.201 179 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 179 L C 2.402 179.042 176.870 -0.385 0.000 1.105 179 L CA 1.054 55.673 54.840 -0.369 0.000 0.775 179 L CB -0.555 41.330 42.059 -0.290 0.000 0.913 179 L HN 0.351 nan 8.230 nan 0.000 0.440 180 G N -0.242 108.256 108.800 -0.504 0.000 2.394 180 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.214 180 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.214 180 G C 1.586 175.851 174.900 -1.060 0.000 1.176 180 G CA 0.658 45.429 45.100 -0.548 0.000 0.786 180 G HN 0.136 nan 8.290 nan 0.000 0.533 181 V N 1.054 120.271 119.914 -1.161 0.000 2.287 181 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 181 V C 2.602 178.325 176.094 -0.618 0.000 1.053 181 V CA 2.223 63.862 62.300 -1.101 0.000 1.027 181 V CB -0.534 30.932 31.823 -0.596 0.000 0.646 181 V HN 0.470 nan 8.190 nan 0.000 0.447 182 E N 0.001 119.960 120.200 -0.402 0.000 2.347 182 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 182 E C 2.089 178.535 176.600 -0.257 0.000 1.008 182 E CA 0.719 56.983 56.400 -0.227 0.000 0.852 182 E CB -0.212 29.411 29.700 -0.129 0.000 0.783 182 E HN 0.685 nan 8.360 nan 0.000 0.505 183 N N 0.781 119.274 118.700 -0.345 0.000 2.290 183 N HA -0.088 4.652 4.740 -0.000 0.000 0.179 183 N C 1.954 177.192 175.510 -0.452 0.000 1.016 183 N CA 1.188 53.996 53.050 -0.403 0.000 0.871 183 N CB 0.077 38.362 38.487 -0.336 0.000 0.987 183 N HN 0.108 nan 8.380 nan 0.000 0.431 184 G N -0.230 108.419 108.800 -0.252 0.000 2.403 184 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 184 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 184 G C 0.619 175.549 174.900 0.050 0.000 1.154 184 G CA 0.030 45.124 45.100 -0.009 0.000 0.784 184 G HN 0.344 nan 8.290 nan 0.000 0.538 185 F N 2.185 122.003 119.950 -0.220 0.000 2.980 185 F HA 0.397 4.924 4.527 -0.000 0.000 0.299 185 F C -0.481 175.241 175.800 -0.129 0.000 1.211 185 F CA -1.930 55.959 58.000 -0.185 0.000 1.328 185 F CB 0.002 38.819 39.000 -0.304 0.000 1.154 185 F HN -0.090 nan 8.300 nan 0.000 0.528 186 D N 0.519 120.833 120.400 -0.142 0.000 2.440 186 D HA 0.142 4.782 4.640 -0.000 0.000 0.239 186 D C 0.820 177.179 176.300 0.098 0.000 1.084 186 D CA -0.006 53.946 54.000 -0.080 0.000 0.843 186 D CB 1.934 42.687 40.800 -0.077 0.000 1.097 186 D HN 0.089 nan 8.370 nan 0.000 0.531 187 T N 1.632 116.149 114.554 -0.060 0.000 3.035 187 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 187 T C 1.580 176.364 174.700 0.141 0.000 1.109 187 T CA 1.590 63.689 62.100 -0.002 0.000 1.119 187 T CB 0.204 69.027 68.868 -0.075 0.000 0.900 187 T HN 0.579 nan 8.240 nan 0.000 0.503 188 T N -0.909 113.737 114.554 0.154 0.000 3.040 188 T HA 0.070 4.420 4.350 -0.000 0.000 0.266 188 T C 1.591 176.407 174.700 0.194 0.000 1.005 188 T CA -0.254 61.945 62.100 0.165 0.000 0.906 188 T CB -0.224 68.776 68.868 0.219 0.000 1.082 188 T HN 0.561 nan 8.240 nan 0.000 0.531 189 H N 2.748 121.897 119.070 0.131 0.000 2.495 189 H HA 0.050 4.606 4.556 -0.000 0.000 0.287 189 H C 1.969 177.380 175.328 0.139 0.000 1.033 189 H CA 1.126 57.241 56.048 0.112 0.000 1.307 189 H CB -0.617 29.168 29.762 0.038 0.000 1.401 189 H HN 0.635 nan 8.280 nan 0.000 0.555 190 I N -1.692 118.581 120.570 -0.495 0.000 2.761 190 I HA -0.213 3.957 4.170 -0.000 0.000 0.266 190 I C 2.250 178.430 176.117 0.104 0.000 1.239 190 I CA 1.085 62.282 61.300 -0.172 0.000 1.451 190 I CB -1.092 36.885 38.000 -0.039 0.000 1.096 190 I HN 0.016 nan 8.210 nan 0.000 0.465 191 F N 3.574 123.507 119.950 -0.027 0.000 2.202 191 F HA -0.231 4.296 4.527 0.000 0.000 0.301 191 F C 2.320 178.162 175.800 0.069 0.000 1.082 191 F CA 2.191 60.245 58.000 0.088 0.000 1.313 191 F CB -0.304 38.726 39.000 0.050 0.000 1.024 191 F HN 0.242 nan 8.300 nan 0.000 0.495 192 M N -1.420 118.078 119.600 -0.170 0.000 2.557 192 M HA -0.040 4.440 4.480 -0.000 0.000 0.259 192 M C 0.810 176.919 176.300 -0.317 0.000 1.086 192 M CA 1.490 56.602 55.300 -0.313 0.000 1.096 192 M CB -0.679 31.746 32.600 -0.291 0.000 1.424 192 M HN 0.051 nan 8.290 nan 0.000 0.488 193 H N 1.499 120.523 119.070 -0.076 0.000 2.551 193 H HA 0.179 4.735 4.556 -0.000 0.000 0.271 193 H C 1.818 177.176 175.328 0.050 0.000 0.984 193 H CA 0.696 56.675 56.048 -0.116 0.000 1.164 193 H CB -0.212 29.409 29.762 -0.235 0.000 1.437 193 H HN 0.636 nan 8.280 nan 0.000 0.550 194 R N 0.816 121.432 120.500 0.193 0.000 2.185 194 R HA -0.108 4.232 4.340 -0.000 0.000 0.247 194 R C 0.435 176.837 176.300 0.169 0.000 1.159 194 R CA 1.519 57.763 56.100 0.241 0.000 0.988 194 R CB -0.121 30.324 30.300 0.242 0.000 0.871 194 R HN 0.047 nan 8.270 nan 0.000 0.458 195 N N 0.736 119.496 118.700 0.099 0.000 2.214 195 N HA 0.007 4.747 4.740 -0.000 0.000 0.214 195 N C -0.530 175.043 175.510 0.105 0.000 1.132 195 N CA 0.104 53.210 53.050 0.093 0.000 0.856 195 N CB 1.063 39.586 38.487 0.060 0.000 1.020 195 N HN 0.172 nan 8.380 nan 0.000 0.509 196 S N 2.521 118.294 115.700 0.122 0.000 2.549 196 S HA 0.110 4.580 4.470 -0.000 0.000 0.283 196 S C -1.075 173.638 174.600 0.188 0.000 1.320 196 S CA -0.984 57.309 58.200 0.154 0.000 1.058 196 S CB 0.953 64.246 63.200 0.156 0.000 0.882 196 S HN 0.109 nan 8.310 nan 0.000 0.498 197 P HA -0.082 nan 4.420 nan 0.000 0.228 197 P C 1.254 178.688 177.300 0.223 0.000 1.151 197 P CA 0.736 63.938 63.100 0.170 0.000 0.770 197 P CB -0.099 31.693 31.700 0.153 0.000 0.786 198 W N 0.951 122.310 121.300 0.098 0.000 2.436 198 W HA -0.094 4.566 4.660 -0.000 0.000 0.284 198 W C 1.458 177.997 176.519 0.032 0.000 1.225 198 W CA 0.422 57.816 57.345 0.082 0.000 1.271 198 W CB -0.170 29.382 29.460 0.154 0.000 1.114 198 W HN -0.243 nan 8.180 nan 0.000 0.559 199 V N 1.617 121.557 119.914 0.044 0.000 2.255 199 V HA -0.362 3.758 4.120 -0.000 0.000 0.247 199 V C 2.624 178.635 176.094 -0.140 0.000 1.051 199 V CA 2.753 64.997 62.300 -0.093 0.000 1.018 199 V CB -1.280 30.563 31.823 0.034 0.000 0.641 199 V HN 0.306 nan 8.190 nan 0.000 0.445 200 S N 0.434 116.092 115.700 -0.070 0.000 2.406 200 S HA 0.014 4.484 4.470 -0.000 0.000 0.224 200 S C 2.132 176.642 174.600 -0.151 0.000 1.030 200 S CA 0.956 59.110 58.200 -0.076 0.000 0.958 200 S CB -0.609 62.582 63.200 -0.015 0.000 0.811 200 S HN 0.516 nan 8.310 nan 0.000 0.489 201 G N 2.006 110.706 108.800 -0.167 0.000 2.469 201 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 201 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 201 G C 1.232 175.866 174.900 -0.445 0.000 1.136 201 G CA 1.093 46.066 45.100 -0.212 0.000 0.759 201 G HN 0.606 nan 8.290 nan 0.000 0.562 202 N N -0.447 117.791 118.700 -0.769 0.000 2.401 202 N HA 0.102 4.842 4.740 -0.000 0.000 0.264 202 N C 0.238 175.487 175.510 -0.434 0.000 1.238 202 N CA -0.485 52.097 53.050 -0.780 0.000 0.889 202 N CB -0.216 37.384 38.487 -1.477 0.000 1.196 202 N HN 0.151 nan 8.380 nan 0.000 0.511 203 R N 0.285 120.614 120.500 -0.286 0.000 3.034 203 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 203 R C -0.594 175.636 176.300 -0.116 0.000 0.861 203 R CA 0.472 56.480 56.100 -0.154 0.000 0.588 203 R CB -1.687 28.549 30.300 -0.107 0.000 1.035 203 R HN 0.385 nan 8.270 nan 0.000 0.488 204 L N 0.375 121.523 121.223 -0.124 0.000 2.371 204 L HA 0.362 4.702 4.340 -0.000 0.000 0.272 204 L C 1.076 178.027 176.870 0.135 0.000 1.124 204 L CA -0.397 54.442 54.840 -0.002 0.000 0.816 204 L CB 1.235 43.286 42.059 -0.013 0.000 1.129 204 L HN 0.244 nan 8.230 nan 0.000 0.448 205 A N 3.812 126.746 122.820 0.190 0.000 2.666 205 A HA 0.336 4.656 4.320 -0.000 0.000 0.312 205 A C -0.776 177.077 177.584 0.449 0.000 1.471 205 A CA -0.026 52.157 52.037 0.244 0.000 1.134 205 A CB -0.685 18.421 19.000 0.178 0.000 1.129 205 A HN 0.466 nan 8.150 nan 0.000 0.539 206 F N 5.856 125.949 119.950 0.239 0.000 2.382 206 F HA 0.466 4.993 4.527 0.000 0.000 0.361 206 F C -2.043 173.712 175.800 -0.075 0.000 1.109 206 F CA -2.335 55.751 58.000 0.143 0.000 1.031 206 F CB 1.895 40.987 39.000 0.153 0.000 1.234 206 F HN 0.405 nan 8.300 nan 0.000 0.445 207 P HA 0.068 nan 4.420 nan 0.000 0.277 207 P C -0.090 176.671 177.300 -0.899 0.000 1.271 207 P CA -0.053 62.307 63.100 -1.233 0.000 0.795 207 P CB 1.091 31.671 31.700 -1.868 0.000 1.101 208 Y N -0.784 119.274 120.300 -0.404 0.000 2.546 208 Y HA 0.327 4.877 4.550 -0.000 0.000 0.287 208 Y C 1.697 177.494 175.900 -0.172 0.000 1.158 208 Y CA 1.159 59.195 58.100 -0.107 0.000 1.307 208 Y CB -0.355 38.160 38.460 0.092 0.000 1.036 208 Y HN 0.595 nan 8.280 nan 0.000 0.532 209 G N -1.477 107.107 108.800 -0.360 0.000 2.340 209 G HA2 0.381 4.341 3.960 -0.000 0.000 0.298 209 G HA3 0.381 4.341 3.960 -0.000 0.000 0.298 209 G C -1.937 172.665 174.900 -0.497 0.000 1.498 209 G CA -1.162 43.764 45.100 -0.290 0.000 0.847 209 G HN -0.122 nan 8.290 nan 0.000 0.594 210 F N -0.130 119.765 119.950 -0.092 0.000 2.507 210 F HA 0.666 5.193 4.527 -0.000 0.000 0.325 210 F C 0.274 176.175 175.800 0.168 0.000 1.116 210 F CA -0.931 57.070 58.000 0.001 0.000 0.930 210 F CB 2.694 41.633 39.000 -0.102 0.000 1.146 210 F HN 0.293 nan 8.300 nan 0.000 0.447 211 V N 3.933 124.037 119.914 0.317 0.000 2.448 211 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 211 V C -2.337 173.662 176.094 -0.159 0.000 1.025 211 V CA -2.469 59.882 62.300 0.084 0.000 0.859 211 V CB 1.841 33.659 31.823 -0.008 0.000 0.988 211 V HN 0.482 nan 8.190 nan 0.000 0.431 212 P HA 0.055 nan 4.420 nan 0.000 0.258 212 P C 0.320 177.363 177.300 -0.429 0.000 1.187 212 P CA 0.522 63.057 63.100 -0.941 0.000 0.767 212 P CB 0.846 32.141 31.700 -0.674 0.000 0.770 213 A N 4.454 127.071 122.820 -0.340 0.000 1.859 213 A HA 0.040 4.360 4.320 -0.000 0.000 0.212 213 A C 0.723 178.231 177.584 -0.126 0.000 1.238 213 A CA 1.381 53.328 52.037 -0.150 0.000 0.613 213 A CB -0.713 18.250 19.000 -0.061 0.000 0.904 213 A HN 0.580 nan 8.150 nan 0.000 0.457 214 D N -3.179 117.149 120.400 -0.119 0.000 2.616 214 D HA 0.517 5.157 4.640 -0.000 0.000 0.260 214 D C 0.348 176.589 176.300 -0.099 0.000 1.158 214 D CA -0.735 53.215 54.000 -0.083 0.000 1.085 214 D CB 0.433 41.206 40.800 -0.044 0.000 1.222 214 D HN -0.114 nan 8.370 nan 0.000 0.626 215 R N -0.732 119.727 120.500 -0.067 0.000 2.319 215 R HA 0.181 4.521 4.340 -0.000 0.000 0.204 215 R C -0.101 176.167 176.300 -0.053 0.000 0.954 215 R CA 0.341 56.403 56.100 -0.064 0.000 1.066 215 R CB -0.258 30.014 30.300 -0.047 0.000 0.991 215 R HN 0.397 nan 8.270 nan 0.000 0.486 216 D N -1.054 119.320 120.400 -0.042 0.000 2.395 216 D HA 0.168 4.808 4.640 -0.000 0.000 0.213 216 D C 1.154 177.455 176.300 0.002 0.000 1.110 216 D CA 0.275 54.264 54.000 -0.018 0.000 0.835 216 D CB 0.785 41.585 40.800 -0.000 0.000 0.965 216 D HN 0.152 nan 8.370 nan 0.000 0.505 217 A N 1.150 123.945 122.820 -0.041 0.000 1.917 217 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 217 A C 1.297 178.968 177.584 0.145 0.000 1.182 217 A CA 1.143 53.167 52.037 -0.022 0.000 0.633 217 A CB -0.303 18.459 19.000 -0.398 0.000 0.819 217 A HN 0.303 nan 8.150 nan 0.000 0.448 218 M N -1.599 118.032 119.600 0.052 0.000 2.395 218 M HA 0.694 5.174 4.480 -0.000 0.000 0.307 218 M C -1.026 175.273 176.300 -0.002 0.000 1.091 218 M CA -0.827 54.519 55.300 0.077 0.000 0.919 218 M CB 1.936 34.585 32.600 0.082 0.000 1.662 218 M HN 0.046 nan 8.290 nan 0.000 0.440 219 Q N 2.137 121.920 119.800 -0.028 0.000 2.333 219 Q HA 0.656 4.996 4.340 -0.000 0.000 0.267 219 Q C -2.042 173.774 176.000 -0.306 0.000 1.012 219 Q CA -0.596 55.090 55.803 -0.194 0.000 0.824 219 Q CB 2.319 30.911 28.738 -0.242 0.000 1.290 219 Q HN 0.757 nan 8.270 nan 0.000 0.449 220 V N 5.140 124.842 119.914 -0.354 0.000 2.427 220 V HA 0.355 4.475 4.120 -0.000 0.000 0.286 220 V C -1.032 174.795 176.094 -0.446 0.000 1.034 220 V CA -0.506 61.612 62.300 -0.303 0.000 0.893 220 V CB 0.844 32.564 31.823 -0.172 0.000 0.982 220 V HN 0.735 nan 8.190 nan 0.000 0.452 221 Y N 3.226 123.451 120.300 -0.124 0.000 2.721 221 Y HA 0.363 4.913 4.550 0.000 0.000 0.328 221 Y C 0.428 176.276 175.900 -0.086 0.000 1.003 221 Y CA -1.264 56.804 58.100 -0.053 0.000 1.275 221 Y CB 0.799 39.291 38.460 0.053 0.000 1.097 221 Y HN 0.848 nan 8.280 nan 0.000 0.514 222 D N -1.163 119.226 120.400 -0.019 0.000 2.501 222 D HA 0.091 4.731 4.640 -0.000 0.000 0.224 222 D C -0.364 175.844 176.300 -0.154 0.000 1.202 222 D CA -0.179 53.749 54.000 -0.121 0.000 0.829 222 D CB 0.179 40.897 40.800 -0.136 0.000 1.023 222 D HN 0.366 nan 8.370 nan 0.000 0.499 223 E N 0.970 121.125 120.200 -0.075 0.000 2.129 223 E HA 0.391 4.741 4.350 -0.000 0.000 0.268 223 E C -0.482 176.061 176.600 -0.095 0.000 0.900 223 E CA -0.708 55.643 56.400 -0.082 0.000 0.755 223 E CB 0.816 30.509 29.700 -0.013 0.000 1.117 223 E HN 0.042 nan 8.360 nan 0.000 0.410 224 N N 1.042 119.627 118.700 -0.192 0.000 6.506 224 N HA -0.242 4.498 4.740 -0.000 0.000 0.396 224 N C -1.457 173.883 175.510 -0.284 0.000 0.931 224 N CA 1.108 54.067 53.050 -0.152 0.000 1.204 224 N CB -0.402 38.094 38.487 0.016 0.000 0.829 224 N HN 0.435 nan 8.380 nan 0.000 0.351 225 W N 0.731 122.060 121.300 0.049 0.000 2.781 225 W HA 0.586 5.246 4.660 0.000 0.000 0.345 225 W C -1.727 174.818 176.519 0.043 0.000 1.085 225 W CA -1.055 56.328 57.345 0.064 0.000 1.198 225 W CB 0.613 30.086 29.460 0.022 0.000 1.423 225 W HN 0.385 nan 8.180 nan 0.000 0.532 226 P HA 0.324 nan 4.420 nan 0.000 0.274 226 P C -1.221 176.390 177.300 0.519 0.000 1.256 226 P CA -0.305 63.088 63.100 0.488 0.000 0.795 226 P CB 1.298 33.156 31.700 0.264 0.000 1.038 227 K N -0.140 120.594 120.400 0.557 0.000 2.316 227 K HA 0.763 5.083 4.320 -0.000 0.000 0.251 227 K C -0.011 176.749 176.600 0.267 0.000 0.934 227 K CA -0.682 55.778 56.287 0.289 0.000 0.802 227 K CB 2.175 34.613 32.500 -0.104 0.000 1.171 227 K HN 0.807 nan 8.250 nan 0.000 0.426 228 G N 0.114 108.815 108.800 -0.164 0.000 2.427 228 G HA2 0.427 4.387 3.960 -0.000 0.000 0.306 228 G HA3 0.427 4.387 3.960 -0.000 0.000 0.306 228 G C -1.832 172.716 174.900 -0.588 0.000 1.280 228 G CA -0.577 44.146 45.100 -0.628 0.000 0.837 228 G HN 0.305 nan 8.290 nan 0.000 0.482 229 V N 1.146 120.651 119.914 -0.682 0.000 2.531 229 V HA 0.665 4.785 4.120 -0.000 0.000 0.301 229 V C -0.699 175.232 176.094 -0.271 0.000 1.034 229 V CA -0.839 61.262 62.300 -0.332 0.000 0.865 229 V CB 1.636 33.390 31.823 -0.115 0.000 0.995 229 V HN 0.753 nan 8.190 nan 0.000 0.424 230 L N 3.750 124.979 121.223 0.011 0.000 2.341 230 L HA 0.706 5.046 4.340 -0.000 0.000 0.278 230 L C -1.197 175.793 176.870 0.200 0.000 1.005 230 L CA -0.073 54.868 54.840 0.168 0.000 0.818 230 L CB 1.853 44.121 42.059 0.348 0.000 1.259 230 L HN 0.607 nan 8.230 nan 0.000 0.418 231 D N 4.990 125.505 120.400 0.192 0.000 2.280 231 D HA 0.335 4.975 4.640 -0.000 0.000 0.236 231 D C 0.054 176.345 176.300 -0.016 0.000 1.082 231 D CA -0.131 53.917 54.000 0.081 0.000 0.834 231 D CB 1.290 41.996 40.800 -0.156 0.000 1.100 231 D HN 0.364 nan 8.370 nan 0.000 0.486 232 R N 3.033 123.590 120.500 0.095 0.000 3.701 232 R HA 0.213 4.553 4.340 -0.000 0.000 0.210 232 R C 1.258 177.566 176.300 0.012 0.000 1.598 232 R CA -0.176 55.959 56.100 0.058 0.000 1.427 232 R CB 0.252 30.623 30.300 0.118 0.000 1.339 232 R HN 0.386 nan 8.270 nan 0.000 0.720 233 L N 0.377 121.401 121.223 -0.332 0.000 1.989 233 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 233 L C 2.427 179.208 176.870 -0.148 0.000 1.071 233 L CA 1.986 56.478 54.840 -0.580 0.000 0.749 233 L CB -0.597 40.795 42.059 -1.111 0.000 0.890 233 L HN 0.493 nan 8.230 nan 0.000 0.431 234 S N -1.491 114.157 115.700 -0.087 0.000 2.481 234 S HA -0.184 4.286 4.470 -0.000 0.000 0.231 234 S C 1.739 176.392 174.600 0.088 0.000 0.996 234 S CA 1.175 59.404 58.200 0.049 0.000 0.942 234 S CB -0.093 63.133 63.200 0.044 0.000 0.768 234 S HN 0.547 nan 8.310 nan 0.000 0.520 235 E N 0.867 121.118 120.200 0.084 0.000 2.330 235 E HA 0.127 4.477 4.350 -0.000 0.000 0.200 235 E C 0.323 176.988 176.600 0.108 0.000 0.922 235 E CA 0.157 56.611 56.400 0.090 0.000 0.935 235 E CB 0.302 30.046 29.700 0.074 0.000 0.917 235 E HN 0.458 nan 8.360 nan 0.000 0.491 236 N N -0.356 118.441 118.700 0.161 0.000 2.305 236 N HA 0.104 4.844 4.740 -0.000 0.000 0.248 236 N C -1.404 174.181 175.510 0.125 0.000 1.290 236 N CA 0.003 53.128 53.050 0.126 0.000 0.873 236 N CB 0.855 39.390 38.487 0.079 0.000 1.261 236 N HN 0.029 nan 8.380 nan 0.000 0.504 237 Y N 0.591 120.908 120.300 0.029 0.000 2.562 237 Y HA 0.458 5.008 4.550 0.000 0.000 0.343 237 Y C 0.154 176.116 175.900 0.104 0.000 1.025 237 Y CA -0.932 57.203 58.100 0.058 0.000 1.082 237 Y CB 1.858 40.362 38.460 0.073 0.000 1.264 237 Y HN -0.134 nan 8.280 nan 0.000 0.478 238 M N 6.774 126.512 119.600 0.230 0.000 2.066 238 M HA 0.446 4.926 4.480 -0.000 0.000 0.340 238 M C -2.893 173.473 176.300 0.110 0.000 1.053 238 M CA -1.789 53.597 55.300 0.144 0.000 0.983 238 M CB 1.242 33.880 32.600 0.064 0.000 1.520 238 M HN 0.268 nan 8.290 nan 0.000 0.428 239 P HA 0.161 nan 4.420 nan 0.000 0.280 239 P C -1.088 175.976 177.300 -0.393 0.000 1.244 239 P CA -0.324 62.558 63.100 -0.364 0.000 0.784 239 P CB 1.237 32.701 31.700 -0.393 0.000 0.913 240 V N 4.979 124.578 119.914 -0.524 0.000 2.304 240 V HA 0.154 4.274 4.120 -0.000 0.000 0.269 240 V C 0.741 176.633 176.094 -0.337 0.000 1.036 240 V CA 0.046 62.192 62.300 -0.256 0.000 0.840 240 V CB -0.268 31.500 31.823 -0.092 0.000 1.036 240 V HN 0.433 nan 8.190 nan 0.000 0.466 241 F N 1.555 121.500 119.950 -0.008 0.000 2.746 241 F HA 0.311 4.838 4.527 -0.000 0.000 0.297 241 F C 1.173 177.091 175.800 0.197 0.000 1.113 241 F CA 0.049 58.029 58.000 -0.034 0.000 1.367 241 F CB 0.572 39.539 39.000 -0.056 0.000 1.111 241 F HN 0.417 nan 8.300 nan 0.000 0.590 242 E N 0.121 120.545 120.200 0.373 0.000 2.263 242 E HA 0.604 4.954 4.350 -0.000 0.000 0.268 242 E C -0.955 175.758 176.600 0.189 0.000 0.884 242 E CA -0.692 55.897 56.400 0.315 0.000 0.766 242 E CB 2.084 31.902 29.700 0.196 0.000 1.196 242 E HN -0.027 nan 8.360 nan 0.000 0.416 243 A N 2.303 125.165 122.820 0.070 0.000 2.290 243 A HA 0.598 4.918 4.320 -0.000 0.000 0.310 243 A C 0.041 177.605 177.584 -0.033 0.000 1.202 243 A CA -0.483 51.520 52.037 -0.056 0.000 0.837 243 A CB 0.616 19.470 19.000 -0.244 0.000 1.139 243 A HN 0.551 nan 8.150 nan 0.000 0.509 244 T N 0.205 114.742 114.554 -0.028 0.000 2.912 244 T HA 0.730 5.080 4.350 -0.000 0.000 0.288 244 T C -0.634 174.045 174.700 -0.034 0.000 1.030 244 T CA -0.713 61.376 62.100 -0.018 0.000 1.020 244 T CB 1.289 70.157 68.868 -0.001 0.000 1.056 244 T HN 0.612 nan 8.240 nan 0.000 0.480 245 L N 2.066 123.274 121.223 -0.026 0.000 2.541 245 L HA 0.324 4.664 4.340 -0.000 0.000 0.266 245 L C -1.056 175.803 176.870 -0.019 0.000 0.966 245 L CA -0.555 54.267 54.840 -0.030 0.000 0.871 245 L CB 1.344 43.382 42.059 -0.036 0.000 1.232 245 L HN 0.902 nan 8.230 nan 0.000 0.408 246 D N 4.034 124.423 120.400 -0.018 0.000 2.746 246 D HA -0.166 4.474 4.640 -0.000 0.000 0.241 246 D C 0.917 177.213 176.300 -0.007 0.000 1.140 246 D CA 1.473 55.466 54.000 -0.013 0.000 0.707 246 D CB -0.533 40.259 40.800 -0.013 0.000 1.034 246 D HN 1.110 nan 8.370 nan 0.000 0.423 247 G N 0.370 109.167 108.800 -0.005 0.000 2.323 247 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.292 247 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.292 247 G C -0.011 174.890 174.900 0.003 0.000 1.040 247 G CA 1.019 46.119 45.100 0.000 0.000 0.942 247 G HN 0.522 nan 8.290 nan 0.000 0.506 248 E N -1.009 119.192 120.200 0.002 0.000 2.354 248 E HA 0.545 4.895 4.350 -0.000 0.000 0.283 248 E C -0.313 176.291 176.600 0.007 0.000 0.938 248 E CA -0.454 55.949 56.400 0.005 0.000 0.777 248 E CB 1.084 30.785 29.700 0.002 0.000 1.222 248 E HN 0.053 nan 8.360 nan 0.000 0.423 249 T N 2.623 117.186 114.554 0.016 0.000 2.739 249 T HA 0.214 4.564 4.350 -0.000 0.000 0.298 249 T C 1.056 175.767 174.700 0.018 0.000 0.929 249 T CA -0.110 62.004 62.100 0.023 0.000 1.014 249 T CB 0.338 69.232 68.868 0.042 0.000 0.914 249 T HN 0.406 nan 8.240 nan 0.000 0.509 250 V N 1.903 121.818 119.914 0.001 0.000 3.590 250 V HA 0.464 4.584 4.120 -0.000 0.000 0.265 250 V C 0.099 176.189 176.094 -0.006 0.000 1.239 250 V CA 0.235 62.534 62.300 -0.003 0.000 1.117 250 V CB -0.251 31.563 31.823 -0.015 0.000 0.818 250 V HN 0.483 nan 8.190 nan 0.000 0.451 251 L N 0.482 121.694 121.223 -0.018 0.000 2.482 251 L HA 0.781 5.121 4.340 -0.000 0.000 0.263 251 L C -0.720 176.232 176.870 0.137 0.000 0.957 251 L CA -0.049 54.774 54.840 -0.029 0.000 0.836 251 L CB 2.069 43.926 42.059 -0.336 0.000 1.324 251 L HN 0.161 nan 8.230 nan 0.000 0.406 252 S N 2.342 118.216 115.700 0.291 0.000 2.677 252 S HA 0.840 5.310 4.470 -0.000 0.000 0.283 252 S C -0.810 174.011 174.600 0.367 0.000 1.159 252 S CA -0.121 58.289 58.200 0.351 0.000 1.001 252 S CB 1.379 64.693 63.200 0.189 0.000 1.032 252 S HN 0.788 nan 8.310 nan 0.000 0.487 253 A N 4.530 127.543 122.820 0.320 0.000 2.969 253 A HA 0.452 4.772 4.320 -0.000 0.000 0.328 253 A C 0.299 177.947 177.584 0.106 0.000 1.355 253 A CA -0.697 51.420 52.037 0.133 0.000 1.018 253 A CB -0.647 18.266 19.000 -0.146 0.000 1.159 253 A HN 0.936 nan 8.150 nan 0.000 0.505 254 E N 1.700 121.943 120.200 0.072 0.000 3.250 254 E HA -0.067 4.283 4.350 -0.000 0.000 0.244 254 E C -0.396 176.151 176.600 -0.088 0.000 0.931 254 E CA 0.036 56.437 56.400 0.001 0.000 0.954 254 E CB 0.327 30.035 29.700 0.012 0.000 0.894 254 E HN 0.381 nan 8.360 nan 0.000 0.560 255 L N 4.748 125.849 121.223 -0.204 0.000 2.265 255 L HA 0.336 4.676 4.340 -0.000 0.000 0.289 255 L C -0.826 175.921 176.870 -0.204 0.000 1.033 255 L CA -0.087 54.547 54.840 -0.344 0.000 0.814 255 L CB 1.104 42.706 42.059 -0.762 0.000 1.203 255 L HN 0.740 nan 8.230 nan 0.000 0.423 256 T N 3.012 117.481 114.554 -0.142 0.000 2.932 256 T HA 0.386 4.736 4.350 -0.000 0.000 0.289 256 T C 1.010 175.662 174.700 -0.079 0.000 1.039 256 T CA -0.148 61.898 62.100 -0.090 0.000 1.024 256 T CB 1.782 70.616 68.868 -0.058 0.000 1.090 256 T HN 0.689 nan 8.240 nan 0.000 0.496 257 G N 0.393 109.159 108.800 -0.056 0.000 2.990 257 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.206 257 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.206 257 G C 0.946 175.829 174.900 -0.029 0.000 1.169 257 G CA 0.104 45.179 45.100 -0.041 0.000 0.819 257 G HN 0.574 nan 8.290 nan 0.000 0.517 258 E N 0.288 120.468 120.200 -0.033 0.000 2.307 258 E HA 0.059 4.409 4.350 -0.000 0.000 0.195 258 E C 0.556 177.140 176.600 -0.025 0.000 0.975 258 E CA 0.053 56.438 56.400 -0.026 0.000 0.878 258 E CB 0.283 29.966 29.700 -0.028 0.000 0.845 258 E HN 0.429 nan 8.360 nan 0.000 0.488 259 E N 1.648 121.831 120.200 -0.029 0.000 2.436 259 E HA 0.010 4.360 4.350 -0.000 0.000 0.262 259 E C -0.122 176.478 176.600 -0.001 0.000 1.063 259 E CA 0.469 56.858 56.400 -0.019 0.000 0.944 259 E CB 0.561 30.255 29.700 -0.010 0.000 0.950 259 E HN -0.108 nan 8.360 nan 0.000 0.444 260 K N 2.324 122.722 120.400 -0.002 0.000 2.249 260 K HA 0.173 4.493 4.320 -0.000 0.000 0.280 260 K C -0.375 176.260 176.600 0.057 0.000 1.033 260 K CA -0.601 55.694 56.287 0.012 0.000 0.946 260 K CB 0.702 33.192 32.500 -0.016 0.000 1.005 260 K HN 0.139 nan 8.250 nan 0.000 0.469 261 K N 2.815 123.256 120.400 0.067 0.000 2.276 261 K HA 0.229 4.549 4.320 -0.000 0.000 0.285 261 K C -0.117 176.556 176.600 0.122 0.000 1.062 261 K CA -0.351 56.001 56.287 0.108 0.000 0.918 261 K CB 0.983 33.535 32.500 0.087 0.000 1.055 261 K HN 0.483 nan 8.250 nan 0.000 0.477 262 V N -2.100 117.930 119.914 0.194 0.000 3.130 262 V HA 0.801 4.921 4.120 -0.000 0.000 0.310 262 V C 0.032 176.279 176.094 0.254 0.000 1.158 262 V CA -0.950 61.492 62.300 0.236 0.000 1.029 262 V CB 1.463 33.481 31.823 0.326 0.000 1.057 262 V HN 0.827 nan 8.190 nan 0.000 0.436 263 A N 0.595 123.547 122.820 0.221 0.000 2.578 263 A HA 0.044 4.364 4.320 -0.000 0.000 0.298 263 A C 1.451 178.993 177.584 -0.069 0.000 1.472 263 A CA 1.339 53.414 52.037 0.063 0.000 0.734 263 A CB -1.700 17.330 19.000 0.049 0.000 1.091 263 A HN 2.593 nan 8.150 nan 0.000 0.426 264 A N -0.531 122.274 122.820 -0.025 0.000 1.970 264 A HA 0.272 4.592 4.320 -0.000 0.000 0.216 264 A C 1.016 178.534 177.584 -0.109 0.000 1.170 264 A CA 1.779 53.788 52.037 -0.047 0.000 0.645 264 A CB 0.071 19.076 19.000 0.008 0.000 0.816 264 A HN 0.962 nan 8.150 nan 0.000 0.447 265 Q N -1.589 118.158 119.800 -0.088 0.000 2.377 265 Q HA 0.582 4.922 4.340 -0.000 0.000 0.279 265 Q C -1.840 174.127 176.000 -0.056 0.000 1.049 265 Q CA -0.506 55.252 55.803 -0.074 0.000 0.825 265 Q CB 2.645 31.396 28.738 0.021 0.000 1.401 265 Q HN 0.122 nan 8.270 nan 0.000 0.404 266 V N 1.365 121.257 119.914 -0.037 0.000 2.686 266 V HA 0.810 4.930 4.120 -0.000 0.000 0.306 266 V C -1.456 174.783 176.094 0.242 0.000 1.065 266 V CA -0.130 62.205 62.300 0.058 0.000 0.894 266 V CB 1.980 33.789 31.823 -0.023 0.000 1.004 266 V HN 0.921 nan 8.190 nan 0.000 0.424 267 S N 4.889 120.723 115.700 0.224 0.000 2.588 267 S HA 0.833 5.303 4.470 -0.000 0.000 0.275 267 S C -1.271 173.177 174.600 -0.253 0.000 1.130 267 S CA -0.680 57.545 58.200 0.042 0.000 0.855 267 S CB 1.741 65.072 63.200 0.219 0.000 1.116 267 S HN 1.398 nan 8.310 nan 0.000 0.472 268 V N 1.900 121.267 119.914 -0.912 0.000 2.656 268 V HA 0.841 4.961 4.120 -0.000 0.000 0.307 268 V C -2.138 173.468 176.094 -0.812 0.000 1.051 268 V CA -0.539 61.269 62.300 -0.820 0.000 0.893 268 V CB 1.372 32.366 31.823 -1.381 0.000 0.999 268 V HN 0.961 nan 8.190 nan 0.000 0.426 269 W N 4.676 125.865 121.300 -0.185 0.000 2.915 269 W HA 0.676 5.336 4.660 0.000 0.000 0.337 269 W C -0.393 176.220 176.519 0.157 0.000 1.102 269 W CA -0.795 56.568 57.345 0.029 0.000 1.224 269 W CB 1.472 30.947 29.460 0.025 0.000 1.416 269 W HN 0.447 nan 8.180 nan 0.000 0.503 270 L N 4.826 126.354 121.223 0.509 0.000 2.483 270 L HA 0.047 4.387 4.340 -0.000 0.000 0.276 270 L C -0.781 176.249 176.870 0.266 0.000 1.213 270 L CA -0.995 54.121 54.840 0.460 0.000 0.843 270 L CB 0.659 42.975 42.059 0.430 0.000 1.107 270 L HN 0.253 nan 8.230 nan 0.000 0.487 271 P HA 0.035 nan 4.420 nan 0.000 0.245 271 P C 0.381 178.029 177.300 0.580 0.000 1.212 271 P CA 0.652 63.789 63.100 0.062 0.000 0.774 271 P CB 0.458 31.954 31.700 -0.340 0.000 0.999 272 G N -1.003 108.080 108.800 0.472 0.000 2.481 272 G HA2 0.074 4.034 3.960 -0.000 0.000 0.234 272 G HA3 0.074 4.034 3.960 -0.000 0.000 0.234 272 G C -0.994 174.054 174.900 0.247 0.000 2.038 272 G CA -0.693 44.634 45.100 0.378 0.000 0.899 272 G HN 0.070 nan 8.290 nan 0.000 0.543 273 V N 1.247 121.209 119.914 0.079 0.000 2.487 273 V HA 0.731 4.851 4.120 -0.000 0.000 0.298 273 V C 0.301 176.409 176.094 0.024 0.000 1.028 273 V CA -1.021 61.231 62.300 -0.080 0.000 0.860 273 V CB 1.764 33.391 31.823 -0.327 0.000 0.991 273 V HN 0.559 nan 8.190 nan 0.000 0.427 274 L N 4.288 125.553 121.223 0.070 0.000 2.379 274 L HA 0.614 4.954 4.340 -0.000 0.000 0.269 274 L C -0.076 176.891 176.870 0.161 0.000 1.084 274 L CA 0.217 55.136 54.840 0.131 0.000 0.802 274 L CB 1.145 43.348 42.059 0.241 0.000 1.175 274 L HN 0.735 nan 8.230 nan 0.000 0.448 275 K N 3.438 123.930 120.400 0.154 0.000 2.637 275 K HA 0.496 4.816 4.320 -0.000 0.000 0.248 275 K C -2.051 174.549 176.600 0.000 0.000 0.971 275 K CA -0.598 55.707 56.287 0.029 0.000 0.858 275 K CB 1.423 34.014 32.500 0.152 0.000 1.170 275 K HN 0.430 nan 8.250 nan 0.000 0.443 276 V N 3.287 123.157 119.914 -0.073 0.000 2.350 276 V HA 0.291 4.411 4.120 -0.000 0.000 0.276 276 V C -0.533 175.544 176.094 -0.028 0.000 1.028 276 V CA -0.655 61.626 62.300 -0.032 0.000 0.860 276 V CB 1.277 33.065 31.823 -0.058 0.000 0.990 276 V HN 0.707 nan 8.190 nan 0.000 0.453 277 D N 6.984 127.380 120.400 -0.008 0.000 2.469 277 D HA 0.476 5.116 4.640 -0.000 0.000 0.251 277 D C -2.804 173.512 176.300 0.026 0.000 1.173 277 D CA -1.602 52.394 54.000 -0.005 0.000 0.882 277 D CB 3.158 43.951 40.800 -0.011 0.000 1.129 277 D HN 0.302 nan 8.370 nan 0.000 0.549 278 P HA 0.580 nan 4.420 nan 0.000 0.289 278 P C -1.145 176.252 177.300 0.162 0.000 1.293 278 P CA -0.687 62.438 63.100 0.043 0.000 0.897 278 P CB 1.833 33.535 31.700 0.004 0.000 1.166 279 F N 1.146 121.037 119.950 -0.098 0.000 2.725 279 F HA 0.271 4.798 4.527 -0.000 0.000 0.311 279 F C -2.340 173.368 175.800 -0.152 0.000 1.121 279 F CA -1.537 56.407 58.000 -0.094 0.000 0.978 279 F CB 2.181 41.134 39.000 -0.078 0.000 1.274 279 F HN 0.131 nan 8.300 nan 0.000 0.440 280 P HA 0.129 nan 4.420 nan 0.000 0.257 280 P C -0.944 176.047 177.300 -0.514 0.000 1.325 280 P CA 0.719 62.988 63.100 -1.386 0.000 0.850 280 P CB 0.319 31.367 31.700 -1.087 0.000 1.324 281 D N -0.892 119.295 120.400 -0.356 0.000 2.661 281 D HA 0.297 4.937 4.640 -0.000 0.000 0.228 281 D C -2.137 174.088 176.300 -0.125 0.000 1.210 281 D CA -2.203 51.700 54.000 -0.161 0.000 0.826 281 D CB 1.815 42.484 40.800 -0.217 0.000 1.542 281 D HN -0.382 nan 8.370 nan 0.000 0.447 282 P HA -0.106 nan 4.420 nan 0.000 0.218 282 P C 0.869 178.141 177.300 -0.048 0.000 1.146 282 P CA 1.476 64.564 63.100 -0.021 0.000 0.813 282 P CB 0.035 31.739 31.700 0.007 0.000 0.778 283 T N -4.731 109.781 114.554 -0.071 0.000 3.129 283 T HA 0.203 4.553 4.350 -0.000 0.000 0.251 283 T C 0.453 175.043 174.700 -0.183 0.000 1.117 283 T CA 0.156 62.201 62.100 -0.092 0.000 1.034 283 T CB -0.566 68.280 68.868 -0.037 0.000 0.968 283 T HN -0.068 nan 8.240 nan 0.000 0.526 284 L N 0.202 121.290 121.223 -0.225 0.000 2.327 284 L HA 0.700 5.040 4.340 -0.000 0.000 0.258 284 L C -0.772 175.997 176.870 -0.169 0.000 1.024 284 L CA -1.572 53.112 54.840 -0.261 0.000 0.825 284 L CB 2.385 44.190 42.059 -0.424 0.000 1.386 284 L HN 0.034 nan 8.230 nan 0.000 0.417 285 I N 1.038 121.516 120.570 -0.154 0.000 2.545 285 I HA 0.351 4.521 4.170 -0.000 0.000 0.292 285 I C -0.775 175.217 176.117 -0.208 0.000 1.040 285 I CA -0.444 60.745 61.300 -0.184 0.000 1.068 285 I CB 2.319 40.173 38.000 -0.243 0.000 1.251 285 I HN 0.577 nan 8.210 nan 0.000 0.424 286 Q N 4.950 124.636 119.800 -0.191 0.000 2.322 286 Q HA 0.468 4.808 4.340 -0.000 0.000 0.265 286 Q C -1.957 173.932 176.000 -0.184 0.000 0.985 286 Q CA -0.595 55.171 55.803 -0.061 0.000 0.849 286 Q CB 1.544 30.380 28.738 0.163 0.000 1.274 286 Q HN 0.478 nan 8.270 nan 0.000 0.449 287 Y N 1.552 121.978 120.300 0.209 0.000 2.377 287 Y HA 0.418 4.968 4.550 -0.000 0.000 0.339 287 Y C -0.259 175.731 175.900 0.150 0.000 1.011 287 Y CA -0.698 57.506 58.100 0.173 0.000 1.093 287 Y CB 1.850 40.509 38.460 0.332 0.000 1.201 287 Y HN 0.509 nan 8.280 nan 0.000 0.455 288 E N 2.835 123.108 120.200 0.121 0.000 2.266 288 E HA 0.513 4.863 4.350 -0.000 0.000 0.268 288 E C -1.695 174.710 176.600 -0.326 0.000 0.879 288 E CA -0.814 55.611 56.400 0.043 0.000 0.762 288 E CB 2.249 32.028 29.700 0.131 0.000 1.199 288 E HN 0.353 nan 8.360 nan 0.000 0.422 289 F N 0.914 120.778 119.950 -0.143 0.000 2.546 289 F HA 0.407 4.934 4.527 0.000 0.000 0.320 289 F C -0.555 175.153 175.800 -0.154 0.000 1.076 289 F CA -0.789 57.161 58.000 -0.083 0.000 0.928 289 F CB 1.136 40.104 39.000 -0.055 0.000 1.189 289 F HN 0.381 nan 8.300 nan 0.000 0.465 290 Y N 1.348 122.013 120.300 0.609 0.000 2.584 290 Y HA 0.445 4.995 4.550 0.000 0.000 0.358 290 Y C -0.624 175.573 175.900 0.494 0.000 1.028 290 Y CA -1.073 57.397 58.100 0.616 0.000 1.148 290 Y CB 0.434 39.122 38.460 0.381 0.000 1.126 290 Y HN 0.170 nan 8.280 nan 0.000 0.658 291 V N 3.522 123.745 119.914 0.515 0.000 2.470 291 V HA 0.176 4.296 4.120 -0.000 0.000 0.276 291 V C -2.097 174.090 176.094 0.155 0.000 1.040 291 V CA -1.958 60.455 62.300 0.188 0.000 1.008 291 V CB 0.692 32.586 31.823 0.119 0.000 0.990 291 V HN 0.314 nan 8.190 nan 0.000 0.477 292 P HA 0.199 nan 4.420 nan 0.000 0.265 292 P C 0.498 177.797 177.300 -0.001 0.000 1.193 292 P CA 0.327 63.408 63.100 -0.032 0.000 0.765 292 P CB 0.798 32.281 31.700 -0.363 0.000 0.823 293 I N 0.264 120.886 120.570 0.087 0.000 3.132 293 I HA 0.028 4.198 4.170 -0.000 0.000 0.255 293 I C 1.156 177.297 176.117 0.040 0.000 1.118 293 I CA 0.756 62.088 61.300 0.053 0.000 1.463 293 I CB 0.144 38.191 38.000 0.078 0.000 1.356 293 I HN 0.415 nan 8.210 nan 0.000 0.463 294 S N -0.521 115.226 115.700 0.078 0.000 2.851 294 S HA 0.341 4.811 4.470 -0.000 0.000 0.313 294 S C 0.204 174.868 174.600 0.107 0.000 1.163 294 S CA -0.578 57.663 58.200 0.069 0.000 0.850 294 S CB 1.487 64.727 63.200 0.066 0.000 1.245 294 S HN 0.001 nan 8.310 nan 0.000 0.558 295 E N 1.130 121.389 120.200 0.097 0.000 2.268 295 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 295 E C 1.397 178.088 176.600 0.151 0.000 0.995 295 E CA 1.597 58.070 56.400 0.122 0.000 0.836 295 E CB -0.309 29.446 29.700 0.091 0.000 0.763 295 E HN 0.814 nan 8.360 nan 0.000 0.491 296 T N -3.110 111.528 114.554 0.140 0.000 3.132 296 T HA 0.310 4.660 4.350 -0.000 0.000 0.274 296 T C 0.212 175.018 174.700 0.176 0.000 1.011 296 T CA -0.535 61.655 62.100 0.149 0.000 0.899 296 T CB 0.169 69.105 68.868 0.114 0.000 1.089 296 T HN -0.112 nan 8.240 nan 0.000 0.543 297 Q N 1.292 121.214 119.800 0.204 0.000 2.418 297 Q HA 0.492 4.832 4.340 -0.000 0.000 0.282 297 Q C -1.265 174.921 176.000 0.310 0.000 1.044 297 Q CA -1.105 54.827 55.803 0.214 0.000 0.813 297 Q CB 2.114 30.924 28.738 0.120 0.000 1.428 297 Q HN 0.626 nan 8.270 nan 0.000 0.402 298 H N -0.758 118.427 119.070 0.192 0.000 2.980 298 H HA 0.525 5.081 4.556 -0.000 0.000 0.367 298 H C -1.398 174.075 175.328 0.242 0.000 1.206 298 H CA -1.004 55.190 56.048 0.242 0.000 1.126 298 H CB 1.929 31.910 29.762 0.364 0.000 1.838 298 H HN 0.585 nan 8.280 nan 0.000 0.552 299 E N 1.570 121.943 120.200 0.289 0.000 2.115 299 E HA 0.160 4.510 4.350 -0.000 0.000 0.282 299 E C -1.600 175.246 176.600 0.410 0.000 0.987 299 E CA -0.634 55.889 56.400 0.205 0.000 0.797 299 E CB 0.212 30.046 29.700 0.223 0.000 1.086 299 E HN 0.427 nan 8.360 nan 0.000 0.397 300 Y N 6.243 126.595 120.300 0.086 0.000 2.425 300 Y HA 0.360 4.910 4.550 -0.000 0.000 0.347 300 Y C -1.501 174.459 175.900 0.100 0.000 0.976 300 Y CA -1.281 56.926 58.100 0.178 0.000 1.190 300 Y CB -0.075 38.461 38.460 0.127 0.000 1.136 300 Y HN 0.397 nan 8.280 nan 0.000 0.517 301 F N 4.352 124.320 119.950 0.029 0.000 2.421 301 F HA 0.495 5.022 4.527 -0.000 0.000 0.337 301 F C -0.154 175.592 175.800 -0.089 0.000 1.105 301 F CA -0.508 57.492 58.000 -0.000 0.000 1.049 301 F CB 1.583 40.654 39.000 0.119 0.000 1.139 301 F HN 0.359 nan 8.300 nan 0.000 0.479 302 Q N 2.645 122.505 119.800 0.101 0.000 2.309 302 Q HA 0.634 4.974 4.340 -0.000 0.000 0.270 302 Q C -1.519 174.680 176.000 0.332 0.000 1.023 302 Q CA -0.712 55.151 55.803 0.100 0.000 0.758 302 Q CB 2.771 31.429 28.738 -0.133 0.000 1.247 302 Q HN 0.405 nan 8.270 nan 0.000 0.455 303 V N 4.006 124.186 119.914 0.443 0.000 2.483 303 V HA 0.464 4.584 4.120 -0.000 0.000 0.297 303 V C -0.459 175.872 176.094 0.396 0.000 1.027 303 V CA -0.731 61.849 62.300 0.466 0.000 0.855 303 V CB 1.545 33.757 31.823 0.648 0.000 0.995 303 V HN 0.663 nan 8.190 nan 0.000 0.424 304 L N 4.224 125.621 121.223 0.289 0.000 2.309 304 L HA 0.625 4.965 4.340 -0.000 0.000 0.282 304 L C -0.102 176.925 176.870 0.262 0.000 1.036 304 L CA -0.286 54.705 54.840 0.252 0.000 0.806 304 L CB 1.653 43.879 42.059 0.277 0.000 1.220 304 L HN 0.694 nan 8.230 nan 0.000 0.429 305 Q N 3.285 123.160 119.800 0.124 0.000 2.331 305 Q HA 0.525 4.865 4.340 -0.000 0.000 0.267 305 Q C -1.103 174.755 176.000 -0.236 0.000 1.006 305 Q CA -0.861 54.943 55.803 0.003 0.000 0.818 305 Q CB 2.198 31.005 28.738 0.116 0.000 1.276 305 Q HN 0.493 nan 8.270 nan 0.000 0.450 306 R N 2.470 122.681 120.500 -0.480 0.000 2.750 306 R HA 0.418 4.758 4.340 -0.000 0.000 0.281 306 R C -1.341 174.744 176.300 -0.358 0.000 0.972 306 R CA -0.617 55.102 56.100 -0.634 0.000 0.912 306 R CB 1.138 30.553 30.300 -1.476 0.000 1.187 306 R HN 0.379 nan 8.270 nan 0.000 0.464 307 K N 2.160 122.414 120.400 -0.244 0.000 2.350 307 K HA 0.334 4.654 4.320 -0.000 0.000 0.279 307 K C -0.490 176.034 176.600 -0.127 0.000 1.027 307 K CA -0.178 56.025 56.287 -0.139 0.000 0.969 307 K CB 0.952 33.395 32.500 -0.095 0.000 0.954 307 K HN 0.534 nan 8.250 nan 0.000 0.474 308 V N -1.287 118.584 119.914 -0.073 0.000 3.012 308 V HA 0.372 4.492 4.120 -0.000 0.000 0.307 308 V C 0.229 176.308 176.094 -0.025 0.000 1.166 308 V CA -0.724 61.550 62.300 -0.043 0.000 0.974 308 V CB 2.171 33.982 31.823 -0.021 0.000 1.040 308 V HN 0.874 nan 8.190 nan 0.000 0.428 309 E N 1.443 121.632 120.200 -0.018 0.000 2.541 309 E HA 0.490 4.840 4.350 -0.000 0.000 0.219 309 E C 0.574 177.168 176.600 -0.011 0.000 0.922 309 E CA 0.659 57.051 56.400 -0.013 0.000 1.095 309 E CB 1.400 31.093 29.700 -0.012 0.000 1.112 309 E HN 1.145 nan 8.360 nan 0.000 0.516 310 G N 0.255 109.047 108.800 -0.013 0.000 2.682 310 G HA2 0.275 4.235 3.960 -0.000 0.000 0.290 310 G HA3 0.275 4.235 3.960 -0.000 0.000 0.290 310 G C -2.567 172.319 174.900 -0.023 0.000 1.425 310 G CA -0.929 44.163 45.100 -0.014 0.000 0.807 310 G HN -0.270 nan 8.290 nan 0.000 0.482 311 P HA -0.099 nan 4.420 nan 0.000 0.216 311 P C 1.601 178.879 177.300 -0.037 0.000 1.150 311 P CA 1.034 64.112 63.100 -0.037 0.000 0.843 311 P CB 0.420 32.105 31.700 -0.026 0.000 0.787 312 E N -0.373 119.815 120.200 -0.020 0.000 2.077 312 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 312 E C 1.664 178.265 176.600 0.002 0.000 0.989 312 E CA 1.139 57.533 56.400 -0.009 0.000 0.800 312 E CB -0.795 28.904 29.700 -0.002 0.000 0.746 312 E HN 0.341 nan 8.360 nan 0.000 0.452 313 D N 0.169 120.569 120.400 0.001 0.000 2.144 313 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 313 D C 2.112 178.436 176.300 0.039 0.000 0.984 313 D CA 0.671 54.684 54.000 0.022 0.000 0.834 313 D CB -0.090 40.712 40.800 0.002 0.000 0.955 313 D HN 0.035 nan 8.370 nan 0.000 0.465 314 V N 1.366 121.258 119.914 -0.037 0.000 2.343 314 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 314 V C 2.499 178.550 176.094 -0.072 0.000 1.051 314 V CA 1.441 63.652 62.300 -0.148 0.000 1.036 314 V CB -0.405 31.209 31.823 -0.349 0.000 0.654 314 V HN 0.174 nan 8.190 nan 0.000 0.451 315 K N -0.191 120.183 120.400 -0.043 0.000 2.025 315 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 315 K C 2.363 178.981 176.600 0.030 0.000 1.049 315 K CA 1.992 58.266 56.287 -0.021 0.000 0.933 315 K CB -0.387 32.101 32.500 -0.020 0.000 0.714 315 K HN 0.480 nan 8.250 nan 0.000 0.438 316 T N -0.016 114.578 114.554 0.067 0.000 2.867 316 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 316 T C 1.629 176.454 174.700 0.209 0.000 1.057 316 T CA 1.101 63.264 62.100 0.104 0.000 1.136 316 T CB -0.336 68.590 68.868 0.096 0.000 0.874 316 T HN 0.306 nan 8.240 nan 0.000 0.466 317 F N 1.955 121.949 119.950 0.073 0.000 2.146 317 F HA 0.135 4.662 4.527 -0.000 0.000 0.298 317 F C 2.124 178.038 175.800 0.190 0.000 1.096 317 F CA 1.381 59.480 58.000 0.166 0.000 1.275 317 F CB -0.592 38.483 39.000 0.125 0.000 1.008 317 F HN 0.324 nan 8.300 nan 0.000 0.480 318 E N -0.362 119.827 120.200 -0.018 0.000 2.153 318 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 318 E C 2.335 178.926 176.600 -0.015 0.000 0.988 318 E CA 1.349 57.672 56.400 -0.128 0.000 0.811 318 E CB -0.249 29.390 29.700 -0.102 0.000 0.746 318 E HN 0.305 nan 8.360 nan 0.000 0.466 319 V N 1.430 121.355 119.914 0.018 0.000 2.379 319 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 319 V C 2.028 178.111 176.094 -0.019 0.000 1.044 319 V CA 1.684 63.985 62.300 0.001 0.000 1.036 319 V CB -0.357 31.467 31.823 0.002 0.000 0.664 319 V HN 0.208 nan 8.190 nan 0.000 0.453 320 E N -0.573 119.637 120.200 0.017 0.000 2.072 320 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 320 E C 2.047 178.529 176.600 -0.198 0.000 0.985 320 E CA 1.418 57.724 56.400 -0.157 0.000 0.801 320 E CB -0.211 29.450 29.700 -0.064 0.000 0.750 320 E HN 0.579 nan 8.360 nan 0.000 0.452 321 F N 2.278 122.189 119.950 -0.064 0.000 2.069 321 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 321 F C 2.411 178.153 175.800 -0.098 0.000 1.113 321 F CA 2.049 60.039 58.000 -0.017 0.000 1.214 321 F CB -0.103 38.740 39.000 -0.261 0.000 0.978 321 F HN -0.087 nan 8.300 nan 0.000 0.474 322 E N 0.407 120.604 120.200 -0.005 0.000 2.110 322 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 322 E C 1.828 178.342 176.600 -0.143 0.000 0.988 322 E CA 1.979 58.325 56.400 -0.090 0.000 0.804 322 E CB -0.353 29.332 29.700 -0.025 0.000 0.745 322 E HN 0.640 nan 8.360 nan 0.000 0.458 323 E N -0.948 119.162 120.200 -0.149 0.000 2.400 323 E HA 0.095 4.445 4.350 -0.000 0.000 0.195 323 E C 1.872 178.353 176.600 -0.199 0.000 1.012 323 E CA 0.215 56.523 56.400 -0.153 0.000 0.875 323 E CB 0.504 30.123 29.700 -0.135 0.000 0.859 323 E HN 0.093 nan 8.360 nan 0.000 0.498 324 R N -0.623 119.700 120.500 -0.295 0.000 4.528 324 R HA 0.048 4.388 4.340 -0.000 0.000 0.121 324 R C 1.169 177.303 176.300 -0.278 0.000 0.727 324 R CA 0.042 55.950 56.100 -0.319 0.000 0.977 324 R CB -0.499 29.492 30.300 -0.514 0.000 1.506 324 R HN 0.048 nan 8.270 nan 0.000 0.428 325 W N 2.167 123.351 121.300 -0.194 0.000 2.290 325 W HA -0.252 4.408 4.660 -0.000 0.000 0.328 325 W C 2.453 178.650 176.519 -0.538 0.000 1.272 325 W CA 1.262 58.410 57.345 -0.329 0.000 1.262 325 W CB -0.356 29.043 29.460 -0.102 0.000 1.151 325 W HN 0.228 nan 8.180 nan 0.000 0.473 326 R N 0.837 121.003 120.500 -0.556 0.000 2.082 326 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 326 R C 1.586 177.698 176.300 -0.314 0.000 1.136 326 R CA 2.469 58.151 56.100 -0.696 0.000 0.935 326 R CB -0.854 28.813 30.300 -1.056 0.000 0.842 326 R HN 0.139 nan 8.270 nan 0.000 0.430 327 D N 0.180 120.467 120.400 -0.189 0.000 2.194 327 D HA -0.081 4.559 4.640 -0.000 0.000 0.204 327 D C 1.431 177.715 176.300 -0.026 0.000 0.964 327 D CA 0.871 54.864 54.000 -0.011 0.000 0.846 327 D CB -0.218 40.565 40.800 -0.029 0.000 0.962 327 D HN 0.286 nan 8.370 nan 0.000 0.490 328 D N 0.164 120.493 120.400 -0.117 0.000 2.194 328 D HA 0.037 4.677 4.640 -0.000 0.000 0.204 328 D C 1.716 177.807 176.300 -0.347 0.000 0.964 328 D CA 0.733 54.684 54.000 -0.081 0.000 0.846 328 D CB 0.318 41.154 40.800 0.061 0.000 0.962 328 D HN 0.142 nan 8.370 nan 0.000 0.490 329 A N 0.206 122.642 122.820 -0.640 0.000 2.010 329 A HA 0.164 4.484 4.320 -0.000 0.000 0.210 329 A C 2.142 179.564 177.584 -0.269 0.000 1.479 329 A CA -0.131 51.410 52.037 -0.827 0.000 0.748 329 A CB -0.651 17.618 19.000 -1.220 0.000 1.125 329 A HN 0.057 nan 8.150 nan 0.000 0.522 330 L N -0.427 120.645 121.223 -0.252 0.000 2.129 330 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 330 L C 2.494 179.244 176.870 -0.199 0.000 1.087 330 L CA 1.363 56.087 54.840 -0.192 0.000 0.757 330 L CB -0.629 41.246 42.059 -0.305 0.000 0.896 330 L HN 0.504 nan 8.230 nan 0.000 0.434 331 H N -1.218 117.842 119.070 -0.017 0.000 2.367 331 H HA 0.125 4.681 4.556 -0.000 0.000 0.304 331 H C 2.212 177.580 175.328 0.066 0.000 1.023 331 H CA 1.013 57.083 56.048 0.037 0.000 1.342 331 H CB -0.483 29.279 29.762 -0.000 0.000 1.486 331 H HN 0.183 nan 8.280 nan 0.000 0.596 332 G N 0.031 108.932 108.800 0.167 0.000 2.485 332 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.221 332 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.221 332 G C 1.482 176.508 174.900 0.210 0.000 1.115 332 G CA 0.969 46.169 45.100 0.166 0.000 0.751 332 G HN 0.332 nan 8.290 nan 0.000 0.567 333 F N 0.464 120.426 119.950 0.020 0.000 2.480 333 F HA 0.276 4.803 4.527 -0.000 0.000 0.280 333 F C 2.199 178.042 175.800 0.072 0.000 1.002 333 F CA 0.571 58.593 58.000 0.037 0.000 1.325 333 F CB 0.081 39.049 39.000 -0.053 0.000 1.134 333 F HN 0.095 nan 8.300 nan 0.000 0.646 334 N N 0.207 119.058 118.700 0.251 0.000 2.463 334 N HA -0.110 4.630 4.740 -0.000 0.000 0.181 334 N C 0.917 176.569 175.510 0.238 0.000 1.078 334 N CA 0.640 53.849 53.050 0.264 0.000 0.902 334 N CB -0.041 38.695 38.487 0.415 0.000 0.970 334 N HN 0.165 nan 8.380 nan 0.000 0.451 335 D N 1.303 121.841 120.400 0.230 0.000 2.133 335 D HA -0.175 4.465 4.640 -0.000 0.000 0.195 335 D C 1.202 177.609 176.300 0.178 0.000 0.997 335 D CA 1.121 55.275 54.000 0.256 0.000 0.840 335 D CB -0.223 40.743 40.800 0.276 0.000 0.947 335 D HN 0.234 nan 8.370 nan 0.000 0.452 336 D N 0.603 121.069 120.400 0.110 0.000 2.178 336 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 336 D C 1.447 177.363 176.300 -0.639 0.000 0.980 336 D CA 0.663 54.544 54.000 -0.199 0.000 0.842 336 D CB -0.192 40.559 40.800 -0.082 0.000 0.948 336 D HN 0.248 nan 8.370 nan 0.000 0.472 337 D N 0.125 120.408 120.400 -0.194 0.000 2.218 337 D HA -0.098 4.542 4.640 -0.000 0.000 0.204 337 D C 2.239 178.396 176.300 -0.238 0.000 0.976 337 D CA 0.278 54.160 54.000 -0.196 0.000 0.853 337 D CB 0.127 40.941 40.800 0.023 0.000 0.939 337 D HN 0.102 nan 8.370 nan 0.000 0.481 338 V N 1.798 121.637 119.914 -0.124 0.000 2.237 338 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 338 V C 2.446 178.564 176.094 0.041 0.000 1.046 338 V CA 1.794 64.092 62.300 -0.004 0.000 1.007 338 V CB -0.830 31.074 31.823 0.136 0.000 0.638 338 V HN 0.447 nan 8.190 nan 0.000 0.445 339 W N 0.671 122.006 121.300 0.059 0.000 2.595 339 W HA 0.115 4.775 4.660 -0.000 0.000 0.257 339 W C 2.131 178.671 176.519 0.035 0.000 1.267 339 W CA 0.817 58.189 57.345 0.045 0.000 1.300 339 W CB -0.933 28.549 29.460 0.037 0.000 1.120 339 W HN 0.270 nan 8.180 nan 0.000 0.618 340 A N 2.126 124.700 122.820 -0.410 0.000 1.898 340 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 340 A C 2.247 179.770 177.584 -0.101 0.000 1.181 340 A CA 1.587 53.405 52.037 -0.366 0.000 0.620 340 A CB -0.711 17.941 19.000 -0.580 0.000 0.819 340 A HN 0.297 nan 8.150 nan 0.000 0.442 341 R N -0.164 120.284 120.500 -0.087 0.000 2.066 341 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 341 R C 1.993 178.326 176.300 0.054 0.000 1.131 341 R CA 1.506 57.590 56.100 -0.028 0.000 0.955 341 R CB -0.344 29.965 30.300 0.015 0.000 0.851 341 R HN 0.652 nan 8.270 nan 0.000 0.432 342 E N 0.712 120.976 120.200 0.107 0.000 2.268 342 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 342 E C 1.795 178.482 176.600 0.144 0.000 0.995 342 E CA 0.871 57.353 56.400 0.137 0.000 0.836 342 E CB -0.022 29.773 29.700 0.158 0.000 0.763 342 E HN 0.352 nan 8.360 nan 0.000 0.491 343 A N 0.950 123.868 122.820 0.164 0.000 2.119 343 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 343 A C 1.839 179.503 177.584 0.134 0.000 1.153 343 A CA 0.920 53.056 52.037 0.166 0.000 0.692 343 A CB -0.067 19.070 19.000 0.227 0.000 0.799 343 A HN 0.166 nan 8.150 nan 0.000 0.458 344 Q N -1.649 118.228 119.800 0.129 0.000 2.352 344 Q HA -0.017 4.323 4.340 -0.000 0.000 0.212 344 Q C 1.896 178.035 176.000 0.231 0.000 0.888 344 Q CA 0.468 56.389 55.803 0.197 0.000 0.934 344 Q CB 0.093 28.907 28.738 0.127 0.000 1.093 344 Q HN 0.605 nan 8.270 nan 0.000 0.523 345 Q N 2.158 122.048 119.800 0.151 0.000 2.077 345 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 345 Q C 1.744 177.829 176.000 0.141 0.000 0.989 345 Q CA 2.045 57.930 55.803 0.136 0.000 0.853 345 Q CB -0.059 28.751 28.738 0.120 0.000 0.907 345 Q HN 0.458 nan 8.270 nan 0.000 0.418 346 E N -1.360 118.924 120.200 0.139 0.000 2.031 346 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 346 E C 1.815 178.490 176.600 0.126 0.000 0.994 346 E CA 1.198 57.669 56.400 0.118 0.000 0.800 346 E CB -0.406 29.360 29.700 0.109 0.000 0.752 346 E HN 0.433 nan 8.360 nan 0.000 0.447 347 F N 0.435 120.375 119.950 -0.017 0.000 2.046 347 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 347 F C 1.868 177.527 175.800 -0.234 0.000 1.123 347 F CA 1.839 59.760 58.000 -0.131 0.000 1.199 347 F CB -0.699 38.196 39.000 -0.174 0.000 0.972 347 F HN 0.105 nan 8.300 nan 0.000 0.474 348 Y N -0.298 119.826 120.300 -0.293 0.000 2.286 348 Y HA 0.099 4.649 4.550 -0.000 0.000 0.293 348 Y C 2.688 178.449 175.900 -0.232 0.000 1.124 348 Y CA 1.170 58.927 58.100 -0.572 0.000 1.178 348 Y CB -1.097 36.911 38.460 -0.755 0.000 1.010 348 Y HN 0.117 nan 8.280 nan 0.000 0.536 349 G N -0.662 108.186 108.800 0.080 0.000 2.464 349 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.217 349 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.217 349 G C 1.229 176.171 174.900 0.070 0.000 1.138 349 G CA 0.939 46.108 45.100 0.115 0.000 0.793 349 G HN 0.428 nan 8.290 nan 0.000 0.539 350 E N -1.140 119.072 120.200 0.020 0.000 2.444 350 E HA 0.165 4.515 4.350 -0.000 0.000 0.209 350 E C 1.873 178.455 176.600 -0.031 0.000 0.806 350 E CA -0.332 56.075 56.400 0.012 0.000 1.240 350 E CB 0.519 30.237 29.700 0.030 0.000 1.238 350 E HN 0.124 nan 8.360 nan 0.000 0.591 351 R N 1.560 122.004 120.500 -0.094 0.000 2.388 351 R HA 0.043 4.383 4.340 -0.000 0.000 0.247 351 R C -0.530 175.608 176.300 -0.270 0.000 0.931 351 R CA 0.202 56.221 56.100 -0.135 0.000 1.082 351 R CB 0.029 30.287 30.300 -0.070 0.000 1.135 351 R HN 0.040 nan 8.270 nan 0.000 0.525 352 D N -0.035 120.214 120.400 -0.252 0.000 2.705 352 D HA -0.140 4.500 4.640 -0.000 0.000 0.240 352 D C 0.978 176.958 176.300 -0.533 0.000 1.137 352 D CA 0.846 54.713 54.000 -0.221 0.000 0.677 352 D CB -1.000 39.746 40.800 -0.090 0.000 1.049 352 D HN 0.431 nan 8.370 nan 0.000 0.427 353 G N -0.758 107.352 108.800 -1.151 0.000 2.509 353 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 353 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 353 G C 1.266 175.542 174.900 -1.039 0.000 1.124 353 G CA 0.628 44.492 45.100 -2.061 0.000 0.776 353 G HN 0.556 nan 8.290 nan 0.000 0.547 354 W N 1.397 122.508 121.300 -0.315 0.000 2.364 354 W HA -0.029 4.631 4.660 -0.000 0.000 0.281 354 W C 2.708 179.288 176.519 0.101 0.000 1.219 354 W CA 1.213 58.620 57.345 0.105 0.000 1.220 354 W CB 0.117 29.695 29.460 0.197 0.000 1.127 354 W HN 0.319 nan 8.180 nan 0.000 0.556 355 S N -1.641 114.148 115.700 0.149 0.000 2.559 355 S HA 0.202 4.672 4.470 -0.000 0.000 0.226 355 S C 1.197 175.826 174.600 0.047 0.000 1.000 355 S CA -0.339 57.930 58.200 0.115 0.000 0.948 355 S CB 0.052 63.298 63.200 0.076 0.000 0.870 355 S HN 0.186 nan 8.310 nan 0.000 0.497 356 K N 1.432 121.809 120.400 -0.039 0.000 2.367 356 K HA 0.149 4.469 4.320 -0.000 0.000 0.195 356 K C 0.305 177.009 176.600 0.173 0.000 1.060 356 K CA 0.056 56.365 56.287 0.036 0.000 1.022 356 K CB 0.389 32.888 32.500 -0.002 0.000 0.894 356 K HN 0.716 nan 8.250 nan 0.000 0.540 357 E N 1.689 121.990 120.200 0.168 0.000 2.422 357 E HA -0.041 4.309 4.350 -0.000 0.000 0.260 357 E C -0.597 176.110 176.600 0.179 0.000 1.108 357 E CA 0.216 56.765 56.400 0.248 0.000 0.943 357 E CB 0.363 30.226 29.700 0.272 0.000 0.961 357 E HN -0.027 nan 8.360 nan 0.000 0.443 358 Q N 1.942 121.824 119.800 0.136 0.000 2.464 358 Q HA 0.311 4.651 4.340 -0.000 0.000 0.256 358 Q C -0.795 175.282 176.000 0.128 0.000 1.020 358 Q CA -0.306 55.562 55.803 0.109 0.000 0.716 358 Q CB 1.272 30.039 28.738 0.049 0.000 1.230 358 Q HN 0.483 nan 8.270 nan 0.000 0.494 359 L N 2.485 123.822 121.223 0.191 0.000 2.456 359 L HA 0.546 4.886 4.340 -0.000 0.000 0.257 359 L C -0.093 176.975 176.870 0.331 0.000 1.162 359 L CA -0.676 54.324 54.840 0.266 0.000 0.808 359 L CB 0.157 42.359 42.059 0.239 0.000 1.136 359 L HN 0.441 nan 8.230 nan 0.000 0.466 360 F N -1.286 118.685 119.950 0.035 0.000 2.620 360 F HA 0.596 5.123 4.527 -0.000 0.000 0.320 360 F C -2.367 173.441 175.800 0.013 0.000 1.069 360 F CA -2.953 55.057 58.000 0.017 0.000 0.953 360 F CB -0.187 38.813 39.000 0.000 0.000 1.322 360 F HN 0.136 nan 8.300 nan 0.000 0.479 361 P HA -0.209 nan 4.420 nan 0.000 0.225 361 P C -1.530 175.545 177.300 -0.374 0.000 1.154 361 P CA 3.266 66.225 63.100 -0.235 0.000 0.933 361 P CB -1.166 30.427 31.700 -0.178 0.000 0.790 362 P HA -0.134 nan 4.420 nan 0.000 0.219 362 P C 0.828 177.929 177.300 -0.331 0.000 1.146 362 P CA 1.415 64.215 63.100 -0.499 0.000 0.808 362 P CB -0.487 30.807 31.700 -0.676 0.000 0.779 363 D N -1.621 118.586 120.400 -0.322 0.000 2.392 363 D HA -0.076 4.564 4.640 -0.000 0.000 0.228 363 D C 1.597 177.855 176.300 -0.069 0.000 1.003 363 D CA 0.510 54.446 54.000 -0.106 0.000 0.917 363 D CB -0.366 40.462 40.800 0.047 0.000 0.890 363 D HN 0.112 nan 8.370 nan 0.000 0.532 364 M N 1.044 120.589 119.600 -0.091 0.000 2.149 364 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 364 M C 2.253 178.544 176.300 -0.016 0.000 1.064 364 M CA 1.243 56.517 55.300 -0.043 0.000 1.102 364 M CB -0.602 31.962 32.600 -0.060 0.000 1.369 364 M HN 0.291 nan 8.290 nan 0.000 0.408 365 C N -1.388 117.887 119.300 -0.041 0.000 2.435 365 C HA -0.034 4.426 4.460 -0.000 0.000 0.279 365 C C 2.479 177.601 174.990 0.220 0.000 1.321 365 C CA 0.388 59.434 59.018 0.046 0.000 1.752 365 C CB -1.755 25.859 27.740 -0.211 0.000 1.959 365 C HN 0.599 nan 8.230 nan 0.000 0.500 366 I N 1.300 121.919 120.570 0.082 0.000 2.353 366 I HA -0.118 4.052 4.170 -0.000 0.000 0.248 366 I C 2.786 178.924 176.117 0.035 0.000 1.119 366 I CA 1.194 62.600 61.300 0.177 0.000 1.417 366 I CB -0.311 37.727 38.000 0.064 0.000 1.078 366 I HN 0.201 nan 8.210 nan 0.000 0.421 367 V N 1.075 120.950 119.914 -0.064 0.000 2.295 367 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 367 V C 2.390 178.394 176.094 -0.149 0.000 1.049 367 V CA 1.879 64.060 62.300 -0.198 0.000 1.024 367 V CB -0.690 31.118 31.823 -0.025 0.000 0.648 367 V HN 0.393 nan 8.190 nan 0.000 0.447 368 K N -0.582 119.809 120.400 -0.015 0.000 2.097 368 K HA -0.217 4.103 4.320 -0.000 0.000 0.206 368 K C 2.064 178.640 176.600 -0.041 0.000 1.049 368 K CA 1.871 58.154 56.287 -0.006 0.000 0.933 368 K CB -0.295 32.227 32.500 0.036 0.000 0.717 368 K HN 0.772 nan 8.250 nan 0.000 0.442 369 W N 2.541 123.744 121.300 -0.161 0.000 2.409 369 W HA -0.136 4.524 4.660 -0.000 0.000 0.299 369 W C 1.368 177.658 176.519 -0.380 0.000 1.203 369 W CA 0.971 58.170 57.345 -0.244 0.000 1.298 369 W CB -0.174 29.149 29.460 -0.230 0.000 1.127 369 W HN -0.061 nan 8.180 nan 0.000 0.528 370 R N 0.200 120.064 120.500 -1.062 0.000 2.096 370 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 370 R C 2.217 178.033 176.300 -0.806 0.000 1.127 370 R CA 2.194 57.345 56.100 -1.583 0.000 0.968 370 R CB -1.030 28.259 30.300 -1.685 0.000 0.861 370 R HN 0.141 nan 8.270 nan 0.000 0.440 371 T N 1.908 116.228 114.554 -0.389 0.000 2.777 371 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 371 T C 1.799 176.403 174.700 -0.160 0.000 1.040 371 T CA 0.894 62.949 62.100 -0.075 0.000 1.141 371 T CB -0.172 68.720 68.868 0.040 0.000 0.868 371 T HN 0.084 nan 8.240 nan 0.000 0.444 372 L N 1.497 122.572 121.223 -0.247 0.000 2.056 372 L HA 0.154 4.494 4.340 -0.000 0.000 0.207 372 L C 2.573 179.266 176.870 -0.294 0.000 1.078 372 L CA 1.817 56.524 54.840 -0.221 0.000 0.749 372 L CB -0.992 40.961 42.059 -0.176 0.000 0.901 372 L HN 0.202 nan 8.230 nan 0.000 0.433 373 A N -1.551 120.943 122.820 -0.544 0.000 1.902 373 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 373 A C 2.519 179.949 177.584 -0.258 0.000 1.181 373 A CA 1.814 53.514 52.037 -0.562 0.000 0.623 373 A CB -1.137 17.247 19.000 -1.027 0.000 0.818 373 A HN 0.521 nan 8.150 nan 0.000 0.443 374 S N -0.924 114.715 115.700 -0.102 0.000 2.399 374 S HA -0.147 4.323 4.470 -0.000 0.000 0.231 374 S C 1.905 176.518 174.600 0.021 0.000 1.022 374 S CA 1.554 59.815 58.200 0.102 0.000 0.983 374 S CB -0.279 63.023 63.200 0.172 0.000 0.803 374 S HN 0.558 nan 8.310 nan 0.000 0.480 375 E N 0.475 120.645 120.200 -0.050 0.000 2.122 375 E HA 0.120 4.470 4.350 -0.000 0.000 0.190 375 E C 1.990 178.555 176.600 -0.057 0.000 0.977 375 E CA 0.575 56.949 56.400 -0.044 0.000 0.820 375 E CB -0.038 29.628 29.700 -0.056 0.000 0.770 375 E HN 0.327 nan 8.360 nan 0.000 0.462 376 R N 0.228 120.666 120.500 -0.104 0.000 2.308 376 R HA 0.182 4.522 4.340 -0.000 0.000 0.202 376 R C 0.829 177.143 176.300 0.023 0.000 0.898 376 R CA 0.170 56.253 56.100 -0.029 0.000 1.046 376 R CB -0.144 30.105 30.300 -0.085 0.000 1.026 376 R HN -0.022 nan 8.270 nan 0.000 0.512 377 G N 1.106 109.707 108.800 -0.333 0.000 2.321 377 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.237 377 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.237 377 G C 0.606 175.467 174.900 -0.065 0.000 1.282 377 G CA -0.303 44.417 45.100 -0.634 0.000 0.886 377 G HN 0.220 nan 8.290 nan 0.000 0.528 378 R N 1.520 122.114 120.500 0.156 0.000 2.299 378 R HA 0.157 4.497 4.340 -0.000 0.000 0.197 378 R C 1.092 177.417 176.300 0.041 0.000 0.971 378 R CA 0.696 56.784 56.100 -0.020 0.000 1.030 378 R CB 0.320 30.402 30.300 -0.362 0.000 0.932 378 R HN 0.589 nan 8.270 nan 0.000 0.477 379 G N -0.320 108.581 108.800 0.169 0.000 2.655 379 G HA2 0.344 4.304 3.960 -0.000 0.000 0.296 379 G HA3 0.344 4.304 3.960 -0.000 0.000 0.296 379 G C -1.630 173.467 174.900 0.327 0.000 1.485 379 G CA -0.610 44.600 45.100 0.182 0.000 0.869 379 G HN -0.095 nan 8.290 nan 0.000 0.540 380 V N 1.287 121.341 119.914 0.233 0.000 2.398 380 V HA 0.631 4.751 4.120 -0.000 0.000 0.286 380 V C 0.111 176.261 176.094 0.094 0.000 1.026 380 V CA -0.778 61.649 62.300 0.212 0.000 0.868 380 V CB 1.474 33.403 31.823 0.177 0.000 0.982 380 V HN 0.700 nan 8.190 nan 0.000 0.443 381 R N 4.239 124.760 120.500 0.036 0.000 2.287 381 R HA 0.699 5.039 4.340 -0.000 0.000 0.316 381 R C -0.018 176.272 176.300 -0.016 0.000 1.050 381 R CA 0.031 56.128 56.100 -0.005 0.000 0.983 381 R CB 0.743 31.013 30.300 -0.049 0.000 1.140 381 R HN 0.852 nan 8.270 nan 0.000 0.528 382 A N 0.000 122.822 122.820 0.003 0.000 2.254 382 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 382 A CA 0.000 52.039 52.037 0.004 0.000 0.836 382 A CB 0.000 19.006 19.000 0.010 0.000 0.831 382 A HN 0.000 nan 8.150 nan 0.000 0.486