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_A 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 0.000 174.397 174.600 -0.338 0.000 1.055 16 S CA 0.000 58.108 58.200 -0.154 0.000 1.107 16 S CB 0.000 63.148 63.200 -0.088 0.000 0.593 17 A N 0.568 123.206 122.820 -0.303 0.000 1.873 17 A HA -0.020 4.300 4.320 0.000 0.000 0.215 17 A C 2.081 179.274 177.584 -0.651 0.000 1.186 17 A CA 2.275 53.937 52.037 -0.625 0.000 0.616 17 A CB -1.440 17.618 19.000 0.096 0.000 0.823 17 A HN 0.874 nan 8.150 nan 0.000 0.442 18 Q N -0.261 119.380 119.800 -0.265 0.000 2.368 18 Q HA -0.096 4.244 4.340 0.000 0.000 0.210 18 Q C 1.457 177.333 176.000 -0.207 0.000 0.982 18 Q CA 1.868 57.565 55.803 -0.175 0.000 0.884 18 Q CB -0.314 28.375 28.738 -0.082 0.000 0.933 18 Q HN 0.416 nan 8.270 nan 0.000 0.460 19 V N -0.776 118.969 119.914 -0.282 0.000 3.263 19 V HA 0.060 4.181 4.120 0.000 0.000 0.248 19 V C 1.957 177.885 176.094 -0.276 0.000 1.145 19 V CA 0.746 62.913 62.300 -0.222 0.000 1.107 19 V CB -0.006 31.713 31.823 -0.173 0.000 0.797 19 V HN 0.095 nan 8.190 nan 0.000 0.467 20 K N 0.225 120.314 120.400 -0.519 0.000 2.166 20 K HA -0.017 4.303 4.320 0.000 0.000 0.201 20 K C 0.553 177.020 176.600 -0.221 0.000 1.052 20 K CA 0.978 56.973 56.287 -0.488 0.000 0.969 20 K CB 0.202 32.168 32.500 -0.889 0.000 0.761 20 K HN 0.729 nan 8.250 nan 0.000 0.459 21 W N 0.595 121.885 121.300 -0.016 0.000 1.290 21 W HA 0.398 5.058 4.660 0.000 0.000 0.304 21 W C -2.277 174.252 176.519 0.016 0.000 0.858 21 W CA -1.753 55.579 57.345 -0.022 0.000 1.894 21 W CB -0.133 29.277 29.460 -0.083 0.000 1.934 21 W HN -0.149 nan 8.180 nan 0.000 0.472 22 P HA -0.249 nan 4.420 nan 0.000 0.215 22 P C 1.370 178.725 177.300 0.091 0.000 1.157 22 P CA 2.049 65.171 63.100 0.037 0.000 0.874 22 P CB 0.365 32.062 31.700 -0.006 0.000 0.790 23 R N -1.822 118.766 120.500 0.147 0.000 2.189 23 R HA -0.120 4.220 4.340 0.000 0.000 0.223 23 R C 2.529 178.971 176.300 0.235 0.000 1.092 23 R CA 0.890 57.102 56.100 0.187 0.000 0.989 23 R CB -0.815 29.630 30.300 0.242 0.000 0.876 23 R HN 0.282 nan 8.270 nan 0.000 0.457 24 Y N 1.300 121.678 120.300 0.131 0.000 2.263 24 Y HA -0.052 4.498 4.550 0.000 0.000 0.292 24 Y C 1.904 177.676 175.900 -0.214 0.000 1.130 24 Y CA 1.123 59.241 58.100 0.030 0.000 1.179 24 Y CB -0.109 38.322 38.460 -0.049 0.000 0.998 24 Y HN -0.097 nan 8.280 nan 0.000 0.532 25 L N -0.195 120.945 121.223 -0.138 0.000 2.217 25 L HA -0.137 4.203 4.340 0.000 0.000 0.211 25 L C 1.968 178.649 176.870 -0.314 0.000 1.107 25 L CA 1.391 55.989 54.840 -0.403 0.000 0.783 25 L CB -0.422 41.524 42.059 -0.188 0.000 0.919 25 L HN 0.274 nan 8.230 nan 0.000 0.442 26 E N 0.516 120.615 120.200 -0.167 0.000 2.216 26 E HA -0.023 4.327 4.350 0.000 0.000 0.192 26 E C 1.439 177.950 176.600 -0.147 0.000 0.988 26 E CA 0.555 56.888 56.400 -0.112 0.000 0.834 26 E CB 0.028 29.707 29.700 -0.036 0.000 0.772 26 E HN 0.365 nan 8.360 nan 0.000 0.479 27 A N 1.449 124.119 122.820 -0.248 0.000 2.711 27 A HA 0.020 4.340 4.320 0.000 0.000 0.242 27 A C 1.369 178.886 177.584 -0.112 0.000 1.607 27 A CA 0.188 52.041 52.037 -0.308 0.000 1.370 27 A CB -0.849 17.658 19.000 -0.821 0.000 0.934 27 A HN 0.065 nan 8.150 nan 0.000 0.628 28 T N -0.049 114.462 114.554 -0.071 0.000 2.737 28 T HA -0.154 4.196 4.350 0.000 0.000 0.269 28 T C 1.265 176.080 174.700 0.192 0.000 1.040 28 T CA 1.476 63.600 62.100 0.041 0.000 1.142 28 T CB -0.135 68.745 68.868 0.021 0.000 0.861 28 T HN 0.371 nan 8.240 nan 0.000 0.456 29 L N 0.449 121.707 121.223 0.058 0.000 2.741 29 L HA 0.472 4.812 4.340 0.000 0.000 0.237 29 L C 0.953 177.678 176.870 -0.243 0.000 1.178 29 L CA 0.495 55.321 54.840 -0.022 0.000 0.973 29 L CB -0.854 41.183 42.059 -0.038 0.000 1.255 29 L HN 0.425 nan 8.230 nan 0.000 0.498 30 G N -1.335 107.262 108.800 -0.338 0.000 2.661 30 G HA2 -0.186 3.774 3.960 0.000 0.000 0.685 30 G HA3 -0.186 3.774 3.960 0.000 0.000 0.685 30 G C -0.795 173.799 174.900 -0.510 0.000 1.298 30 G CA -0.777 43.815 45.100 -0.846 0.000 0.855 30 G HN -0.091 nan 8.290 nan 0.000 0.560 31 F N 2.452 122.272 119.950 -0.217 0.000 2.385 31 F HA 0.440 4.967 4.527 0.000 0.000 0.360 31 F C 0.898 176.794 175.800 0.160 0.000 1.122 31 F CA -0.382 57.655 58.000 0.063 0.000 1.090 31 F CB 1.388 40.474 39.000 0.143 0.000 1.150 31 F HN 0.643 nan 8.300 nan 0.000 0.472 32 D N 1.549 122.107 120.400 0.263 0.000 2.478 32 D HA 0.211 4.851 4.640 0.000 0.000 0.263 32 D C -0.049 176.254 176.300 0.004 0.000 1.153 32 D CA -0.555 53.506 54.000 0.102 0.000 1.038 32 D CB 0.562 41.353 40.800 -0.014 0.000 1.120 32 D HN 0.424 nan 8.370 nan 0.000 0.564 33 N N -0.625 117.888 118.700 -0.311 0.000 2.815 33 N HA -0.148 4.592 4.740 0.000 0.000 0.248 33 N C -1.216 173.912 175.510 -0.636 0.000 1.110 33 N CA 0.577 53.352 53.050 -0.459 0.000 0.699 33 N CB -1.448 36.953 38.487 -0.143 0.000 1.040 33 N HN 0.537 nan 8.380 nan 0.000 0.555 34 H N -1.941 116.709 119.070 -0.700 0.000 3.016 34 H HA 0.256 4.812 4.556 0.000 0.000 0.362 34 H C -0.299 174.615 175.328 -0.691 0.000 1.233 34 H CA -0.412 55.379 56.048 -0.430 0.000 1.124 34 H CB 0.643 30.244 29.762 -0.268 0.000 1.850 34 H HN 0.022 nan 8.280 nan 0.000 0.549 35 W N 1.651 122.835 121.300 -0.193 0.000 2.261 35 W HA 0.309 4.970 4.660 0.000 0.000 0.323 35 W C 0.407 176.732 176.519 -0.324 0.000 1.243 35 W CA 0.231 57.494 57.345 -0.136 0.000 1.210 35 W CB 0.630 30.034 29.460 -0.094 0.000 1.149 35 W HN 0.324 nan 8.180 nan 0.000 0.562 36 H N 2.344 121.595 119.070 0.301 0.000 2.894 36 H HA 0.256 4.812 4.556 0.000 0.000 0.367 36 H C -2.332 172.992 175.328 -0.008 0.000 1.144 36 H CA -1.809 54.317 56.048 0.131 0.000 1.180 36 H CB 2.090 31.847 29.762 -0.009 0.000 1.758 36 H HN 0.036 nan 8.280 nan 0.000 0.541 37 P HA 0.150 nan 4.420 nan 0.000 0.275 37 P C -0.150 176.777 177.300 -0.622 0.000 1.228 37 P CA -0.036 62.445 63.100 -1.033 0.000 0.786 37 P CB 1.532 31.955 31.700 -2.128 0.000 0.927 38 A N 2.292 124.880 122.820 -0.388 0.000 2.026 38 A HA 0.649 4.969 4.320 0.000 0.000 0.198 38 A C 0.771 178.395 177.584 0.067 0.000 1.390 38 A CA 1.068 53.071 52.037 -0.058 0.000 0.915 38 A CB -0.039 18.914 19.000 -0.078 0.000 0.974 38 A HN 0.734 nan 8.150 nan 0.000 0.477 39 A N -1.810 120.946 122.820 -0.108 0.000 2.467 39 A HA 0.625 4.946 4.320 0.000 0.000 0.301 39 A C -1.786 175.583 177.584 -0.357 0.000 1.126 39 A CA -0.632 51.339 52.037 -0.111 0.000 0.632 39 A CB -0.141 18.846 19.000 -0.021 0.000 1.331 39 A HN 0.273 nan 8.150 nan 0.000 0.482 40 F N 0.613 120.556 119.950 -0.011 0.000 2.399 40 F HA 0.373 4.900 4.527 0.000 0.000 0.334 40 F C 1.392 177.157 175.800 -0.058 0.000 1.097 40 F CA 0.270 58.227 58.000 -0.071 0.000 1.076 40 F CB 1.562 40.520 39.000 -0.070 0.000 1.162 40 F HN 0.859 nan 8.300 nan 0.000 0.495 41 D N 0.607 121.045 120.400 0.063 0.000 2.158 41 D HA -0.217 4.423 4.640 0.000 0.000 0.197 41 D C 1.704 178.122 176.300 0.197 0.000 0.995 41 D CA 1.832 55.875 54.000 0.071 0.000 0.846 41 D CB -0.090 40.730 40.800 0.034 0.000 0.941 41 D HN 0.669 nan 8.370 nan 0.000 0.456 42 H N -0.651 118.466 119.070 0.077 0.000 2.563 42 H HA 0.064 4.620 4.556 0.000 0.000 0.272 42 H C 1.241 176.596 175.328 0.044 0.000 1.005 42 H CA 0.242 56.316 56.048 0.044 0.000 1.171 42 H CB 0.300 30.076 29.762 0.023 0.000 1.351 42 H HN 0.351 nan 8.280 nan 0.000 0.602 43 E N 0.625 120.935 120.200 0.184 0.000 2.435 43 E HA 0.032 4.382 4.350 0.000 0.000 0.195 43 E C -0.261 176.384 176.600 0.075 0.000 1.029 43 E CA 0.205 56.677 56.400 0.121 0.000 0.865 43 E CB 0.474 30.250 29.700 0.127 0.000 0.833 43 E HN 0.352 nan 8.360 nan 0.000 0.510 44 L N 1.136 122.399 121.223 0.068 0.000 2.318 44 L HA 0.409 4.749 4.340 0.000 0.000 0.277 44 L C -0.262 176.609 176.870 0.001 0.000 1.008 44 L CA -0.642 54.209 54.840 0.020 0.000 0.846 44 L CB 1.592 43.656 42.059 0.008 0.000 1.220 44 L HN -0.093 nan 8.230 nan 0.000 0.423 45 A N 1.983 124.788 122.820 -0.025 0.000 2.256 45 A HA 0.556 4.876 4.320 0.000 0.000 0.318 45 A C -0.148 177.396 177.584 -0.067 0.000 1.103 45 A CA -0.518 51.496 52.037 -0.038 0.000 0.860 45 A CB 0.781 19.760 19.000 -0.036 0.000 1.182 45 A HN 0.634 nan 8.150 nan 0.000 0.501 46 E N 0.040 120.203 120.200 -0.061 0.000 2.558 46 E HA 0.335 4.685 4.350 0.000 0.000 0.255 46 E C 1.217 177.749 176.600 -0.113 0.000 0.968 46 E CA 1.733 58.086 56.400 -0.078 0.000 0.939 46 E CB -0.257 29.412 29.700 -0.052 0.000 0.921 46 E HN 1.707 nan 8.360 nan 0.000 0.477 47 G N 3.419 112.110 108.800 -0.181 0.000 2.184 47 G HA2 -0.379 3.581 3.960 0.000 0.000 0.264 47 G HA3 -0.379 3.581 3.960 0.000 0.000 0.264 47 G C 0.291 174.963 174.900 -0.380 0.000 0.975 47 G CA 0.502 45.449 45.100 -0.255 0.000 0.642 47 G HN 0.652 nan 8.290 nan 0.000 0.536 48 E N -0.501 119.511 120.200 -0.313 0.000 2.318 48 E HA 0.662 5.012 4.350 0.000 0.000 0.265 48 E C -0.627 175.729 176.600 -0.407 0.000 1.069 48 E CA -0.873 55.388 56.400 -0.232 0.000 0.893 48 E CB 0.405 30.055 29.700 -0.082 0.000 1.076 48 E HN 0.104 nan 8.360 nan 0.000 0.414 49 F N 1.748 121.709 119.950 0.018 0.000 2.532 49 F HA 0.496 5.023 4.527 0.000 0.000 0.321 49 F C -0.619 175.200 175.800 0.032 0.000 1.089 49 F CA -0.781 57.237 58.000 0.029 0.000 0.926 49 F CB 2.137 41.158 39.000 0.036 0.000 1.168 49 F HN 0.141 nan 8.300 nan 0.000 0.459 50 V N 2.304 122.358 119.914 0.234 0.000 2.612 50 V HA 0.701 4.821 4.120 0.000 0.000 0.301 50 V C -0.647 175.526 176.094 0.133 0.000 1.059 50 V CA -0.989 61.396 62.300 0.142 0.000 0.886 50 V CB 1.614 33.490 31.823 0.088 0.000 1.007 50 V HN 0.909 nan 8.190 nan 0.000 0.426 51 A N 4.810 127.692 122.820 0.103 0.000 2.290 51 A HA 0.926 5.246 4.320 0.000 0.000 0.310 51 A C -0.315 177.296 177.584 0.045 0.000 1.202 51 A CA -0.403 51.681 52.037 0.079 0.000 0.837 51 A CB 1.297 20.336 19.000 0.064 0.000 1.139 51 A HN 1.576 nan 8.150 nan 0.000 0.509 52 V N -0.308 119.623 119.914 0.027 0.000 3.078 52 V HA 0.908 5.029 4.120 0.000 0.000 0.311 52 V C -0.416 175.671 176.094 -0.012 0.000 1.138 52 V CA -0.527 61.778 62.300 0.008 0.000 1.007 52 V CB 1.760 33.584 31.823 0.002 0.000 1.045 52 V HN 0.723 nan 8.190 nan 0.000 0.432 53 T N 4.350 118.898 114.554 -0.010 0.000 2.809 53 T HA 0.719 5.069 4.350 0.000 0.000 0.284 53 T C -0.535 174.145 174.700 -0.033 0.000 0.992 53 T CA -0.193 61.894 62.100 -0.022 0.000 0.957 53 T CB 1.012 69.879 68.868 -0.003 0.000 0.942 53 T HN 0.754 nan 8.240 nan 0.000 0.439 54 M N 3.562 123.116 119.600 -0.076 0.000 2.259 54 M HA 0.410 4.890 4.480 0.000 0.000 0.304 54 M C -0.554 175.667 176.300 -0.132 0.000 1.019 54 M CA -0.869 54.364 55.300 -0.111 0.000 0.922 54 M CB 1.883 34.393 32.600 -0.149 0.000 1.600 54 M HN 0.397 nan 8.290 nan 0.000 0.433 55 L N 3.264 124.390 121.223 -0.162 0.000 3.739 55 L HA -0.270 4.070 4.340 0.000 0.000 0.442 55 L C 1.075 177.894 176.870 -0.085 0.000 1.241 55 L CA 1.435 56.175 54.840 -0.167 0.000 0.819 55 L CB -2.231 39.694 42.059 -0.222 0.000 1.679 55 L HN 1.215 nan 8.230 nan 0.000 0.889 56 G N -2.225 106.546 108.800 -0.050 0.000 2.234 56 G HA2 -0.290 3.670 3.960 0.000 0.000 0.260 56 G HA3 -0.290 3.670 3.960 0.000 0.000 0.260 56 G C 0.290 175.181 174.900 -0.015 0.000 0.987 56 G CA 0.406 45.493 45.100 -0.021 0.000 0.625 56 G HN 0.532 nan 8.290 nan 0.000 0.532 57 E N 0.828 121.013 120.200 -0.026 0.000 2.197 57 E HA 0.439 4.789 4.350 0.000 0.000 0.281 57 E C -0.129 176.455 176.600 -0.028 0.000 0.995 57 E CA -0.565 55.831 56.400 -0.005 0.000 0.808 57 E CB 1.046 30.762 29.700 0.026 0.000 1.093 57 E HN 0.253 nan 8.360 nan 0.000 0.394 58 K N 2.167 122.565 120.400 -0.004 0.000 2.276 58 K HA 0.299 4.619 4.320 0.000 0.000 0.285 58 K C -0.714 175.887 176.600 0.002 0.000 1.062 58 K CA -0.317 55.965 56.287 -0.008 0.000 0.918 58 K CB 1.069 33.565 32.500 -0.007 0.000 1.055 58 K HN 0.187 nan 8.250 nan 0.000 0.477 59 V N 4.158 124.055 119.914 -0.029 0.000 2.680 59 V HA 0.368 4.489 4.120 0.000 0.000 0.309 59 V C -0.865 175.262 176.094 0.054 0.000 1.052 59 V CA -1.111 61.171 62.300 -0.029 0.000 0.908 59 V CB 1.784 33.468 31.823 -0.231 0.000 1.001 59 V HN 0.536 nan 8.190 nan 0.000 0.431 60 L N 5.193 126.499 121.223 0.140 0.000 2.313 60 L HA 0.658 4.998 4.340 0.000 0.000 0.283 60 L C -0.833 176.156 176.870 0.198 0.000 1.013 60 L CA 0.148 55.109 54.840 0.202 0.000 0.816 60 L CB 1.124 43.366 42.059 0.304 0.000 1.236 60 L HN 0.543 nan 8.230 nan 0.000 0.419 61 L N 4.371 125.702 121.223 0.179 0.000 2.331 61 L HA 0.806 5.146 4.340 0.000 0.000 0.275 61 L C 0.057 176.998 176.870 0.117 0.000 1.022 61 L CA -0.454 54.462 54.840 0.128 0.000 0.812 61 L CB 1.967 44.068 42.059 0.070 0.000 1.257 61 L HN 0.673 nan 8.230 nan 0.000 0.435 62 T N 1.141 115.705 114.554 0.016 0.000 2.769 62 T HA 0.365 4.715 4.350 0.000 0.000 0.306 62 T C -1.577 173.049 174.700 -0.124 0.000 1.400 62 T CA -0.716 61.279 62.100 -0.176 0.000 1.007 62 T CB 1.956 70.578 68.868 -0.410 0.000 1.392 62 T HN 0.645 nan 8.240 nan 0.000 0.500 63 R N 1.578 121.974 120.500 -0.174 0.000 2.310 63 R HA 0.764 5.105 4.340 0.000 0.000 0.324 63 R C -1.213 175.023 176.300 -0.107 0.000 0.955 63 R CA -0.540 55.501 56.100 -0.097 0.000 0.830 63 R CB 0.965 31.221 30.300 -0.072 0.000 1.154 63 R HN 0.675 nan 8.270 nan 0.000 0.458 64 A N 4.137 126.921 122.820 -0.060 0.000 2.311 64 A HA 0.333 4.653 4.320 0.000 0.000 0.306 64 A C -0.365 177.207 177.584 -0.020 0.000 1.189 64 A CA -0.626 51.385 52.037 -0.044 0.000 0.791 64 A CB 0.613 19.599 19.000 -0.023 0.000 1.172 64 A HN 0.950 nan 8.150 nan 0.000 0.481 65 K N 1.641 122.030 120.400 -0.020 0.000 3.096 65 K HA -0.235 4.085 4.320 0.000 0.000 0.266 65 K C 1.044 177.640 176.600 -0.006 0.000 1.043 65 K CA 1.008 57.289 56.287 -0.009 0.000 0.758 65 K CB -1.737 30.763 32.500 0.000 0.000 1.260 65 K HN 2.317 nan 8.250 nan 0.000 0.481 66 G N -0.486 108.307 108.800 -0.012 0.000 2.234 66 G HA2 -0.335 3.625 3.960 0.000 0.000 0.260 66 G HA3 -0.335 3.625 3.960 0.000 0.000 0.260 66 G C -0.154 174.746 174.900 0.001 0.000 0.987 66 G CA 0.708 45.805 45.100 -0.006 0.000 0.625 66 G HN 0.472 nan 8.290 nan 0.000 0.532 67 E N -0.012 120.189 120.200 0.001 0.000 2.179 67 E HA 0.533 4.883 4.350 0.000 0.000 0.275 67 E C 0.005 176.611 176.600 0.010 0.000 0.945 67 E CA -0.875 55.532 56.400 0.011 0.000 0.792 67 E CB 2.520 32.231 29.700 0.019 0.000 1.125 67 E HN 0.096 nan 8.360 nan 0.000 0.397 68 V N 4.459 124.385 119.914 0.020 0.000 2.508 68 V HA 0.089 4.209 4.120 0.000 0.000 0.281 68 V C 0.130 176.252 176.094 0.047 0.000 1.041 68 V CA 0.001 62.315 62.300 0.023 0.000 1.016 68 V CB 0.316 32.155 31.823 0.027 0.000 0.984 68 V HN 0.516 nan 8.190 nan 0.000 0.478 69 K N 3.544 123.973 120.400 0.049 0.000 2.259 69 K HA 0.851 5.171 4.320 0.000 0.000 0.249 69 K C -0.533 176.134 176.600 0.113 0.000 0.942 69 K CA -0.587 55.749 56.287 0.083 0.000 0.816 69 K CB 2.426 34.970 32.500 0.072 0.000 1.155 69 K HN 0.681 nan 8.250 nan 0.000 0.428 70 A N 2.852 125.768 122.820 0.160 0.000 2.335 70 A HA 0.732 5.052 4.320 0.000 0.000 0.304 70 A C -0.973 176.799 177.584 0.313 0.000 1.118 70 A CA -0.729 51.431 52.037 0.204 0.000 0.757 70 A CB 0.609 19.720 19.000 0.185 0.000 1.188 70 A HN 0.772 nan 8.150 nan 0.000 0.460 71 I N 1.590 122.341 120.570 0.301 0.000 2.828 71 I HA 0.719 4.889 4.170 0.000 0.000 0.302 71 I C 0.405 176.745 176.117 0.372 0.000 1.101 71 I CA -0.975 60.512 61.300 0.312 0.000 1.031 71 I CB 2.019 40.140 38.000 0.201 0.000 1.231 71 I HN 0.803 nan 8.210 nan 0.000 0.427 72 A N 3.560 126.592 122.820 0.352 0.000 2.546 72 A HA 0.048 4.368 4.320 0.000 0.000 0.243 72 A C -0.043 177.662 177.584 0.201 0.000 1.063 72 A CA 0.167 52.379 52.037 0.292 0.000 0.757 72 A CB -0.111 18.982 19.000 0.154 0.000 0.991 72 A HN 0.699 nan 8.150 nan 0.000 0.503 73 D N 1.964 122.430 120.400 0.110 0.000 2.845 73 D HA 0.418 5.058 4.640 0.000 0.000 0.235 73 D C 0.233 176.375 176.300 -0.263 0.000 1.158 73 D CA 0.932 54.936 54.000 0.006 0.000 0.990 73 D CB -0.502 40.328 40.800 0.050 0.000 1.094 73 D HN 0.712 nan 8.370 nan 0.000 0.486 74 G N 0.582 109.086 108.800 -0.492 0.000 2.659 74 G HA2 0.254 4.214 3.960 0.000 0.000 0.291 74 G HA3 0.254 4.214 3.960 0.000 0.000 0.291 74 G C -0.757 173.785 174.900 -0.598 0.000 1.379 74 G CA -0.662 44.140 45.100 -0.497 0.000 1.254 74 G HN 0.307 nan 8.290 nan 0.000 0.590 75 C N 2.347 121.257 119.300 -0.651 0.000 2.652 75 C HA 0.560 5.020 4.460 0.000 0.000 0.412 75 C C 2.082 177.046 174.990 -0.045 0.000 1.294 75 C CA 0.517 59.386 59.018 -0.248 0.000 2.127 75 C CB 0.312 27.977 27.740 -0.125 0.000 2.691 75 C HN 1.083 nan 8.230 nan 0.000 0.615 76 A N 2.739 125.680 122.820 0.203 0.000 2.066 76 A HA -0.063 4.257 4.320 0.000 0.000 0.218 76 A C 2.068 179.705 177.584 0.089 0.000 1.157 76 A CA 1.604 53.776 52.037 0.225 0.000 0.670 76 A CB -0.890 18.401 19.000 0.485 0.000 0.804 76 A HN 1.070 nan 8.150 nan 0.000 0.453 77 H N -0.354 118.478 119.070 -0.397 0.000 2.300 77 H HA 0.080 4.636 4.556 0.000 0.000 0.302 77 H C 0.993 176.087 175.328 -0.390 0.000 1.049 77 H CA 1.178 56.720 56.048 -0.842 0.000 1.254 77 H CB 0.088 28.828 29.762 -1.704 0.000 1.396 77 H HN 0.333 nan 8.280 nan 0.000 0.518 78 R N -0.493 119.735 120.500 -0.455 0.000 2.662 78 R HA 0.154 4.494 4.340 0.000 0.000 0.396 78 R C 0.622 176.813 176.300 -0.183 0.000 1.096 78 R CA 0.398 56.288 56.100 -0.350 0.000 1.081 78 R CB 1.312 31.376 30.300 -0.393 0.000 1.382 78 R HN 0.678 nan 8.270 nan 0.000 0.580 79 G N 1.458 110.160 108.800 -0.163 0.000 2.186 79 G HA2 -0.326 3.634 3.960 0.000 0.000 0.266 79 G HA3 -0.326 3.634 3.960 0.000 0.000 0.266 79 G C 0.476 175.281 174.900 -0.158 0.000 0.982 79 G CA 0.641 45.657 45.100 -0.141 0.000 0.670 79 G HN 0.316 nan 8.290 nan 0.000 0.533 80 V N -1.667 118.141 119.914 -0.176 0.000 2.924 80 V HA 0.664 4.784 4.120 0.000 0.000 0.305 80 V C -1.346 174.626 176.094 -0.204 0.000 1.073 80 V CA -1.692 60.539 62.300 -0.115 0.000 1.098 80 V CB 1.213 32.994 31.823 -0.070 0.000 1.000 80 V HN 0.200 nan 8.190 nan 0.000 0.484 81 P HA 0.298 nan 4.420 nan 0.000 0.285 81 P C 0.015 177.347 177.300 0.052 0.000 1.259 81 P CA -0.269 62.744 63.100 -0.145 0.000 0.794 81 P CB 0.974 32.650 31.700 -0.040 0.000 0.940 82 F N 0.995 121.038 119.950 0.157 0.000 2.234 82 F HA -0.159 4.368 4.527 0.000 0.000 0.299 82 F C 2.591 178.450 175.800 0.098 0.000 1.087 82 F CA 1.722 59.833 58.000 0.185 0.000 1.340 82 F CB -1.715 37.307 39.000 0.037 0.000 1.031 82 F HN 0.293 nan 8.300 nan 0.000 0.500 83 S N -0.189 115.615 115.700 0.173 0.000 2.465 83 S HA -0.187 4.283 4.470 0.000 0.000 0.241 83 S C 1.925 176.505 174.600 -0.033 0.000 1.000 83 S CA 0.733 58.957 58.200 0.040 0.000 0.964 83 S CB -0.422 62.803 63.200 0.042 0.000 0.763 83 S HN 0.265 nan 8.310 nan 0.000 0.512 84 K N 1.225 121.597 120.400 -0.047 0.000 2.103 84 K HA 0.033 4.354 4.320 0.000 0.000 0.207 84 K C 0.956 177.323 176.600 -0.388 0.000 1.048 84 K CA 1.209 57.335 56.287 -0.268 0.000 0.930 84 K CB -0.156 32.065 32.500 -0.466 0.000 0.716 84 K HN 0.750 nan 8.250 nan 0.000 0.444 85 E N 0.171 120.176 120.200 -0.325 0.000 2.762 85 E HA 0.109 4.459 4.350 0.000 0.000 0.384 85 E C -2.789 173.794 176.600 -0.028 0.000 1.086 85 E CA -1.114 55.148 56.400 -0.230 0.000 0.769 85 E CB 1.085 30.560 29.700 -0.374 0.000 1.560 85 E HN -0.135 nan 8.360 nan 0.000 0.384 86 P HA 0.094 nan 4.420 nan 0.000 0.267 86 P C -0.548 176.510 177.300 -0.404 0.000 1.205 86 P CA 0.135 62.940 63.100 -0.491 0.000 0.765 86 P CB 0.869 31.848 31.700 -1.202 0.000 0.828 87 L N 3.516 124.567 121.223 -0.286 0.000 2.381 87 L HA 0.610 4.950 4.340 0.000 0.000 0.268 87 L C -0.206 176.549 176.870 -0.191 0.000 0.997 87 L CA -0.832 53.873 54.840 -0.226 0.000 0.818 87 L CB 2.428 44.408 42.059 -0.131 0.000 1.310 87 L HN 0.457 nan 8.230 nan 0.000 0.416 88 C N 2.094 121.199 119.300 -0.325 0.000 2.599 88 C HA 0.513 4.973 4.460 0.000 0.000 0.354 88 C C 0.122 174.880 174.990 -0.388 0.000 1.092 88 C CA -0.410 58.508 59.018 -0.166 0.000 1.280 88 C CB 0.333 28.134 27.740 0.102 0.000 1.829 88 C HN 0.802 nan 8.230 nan 0.000 0.454 89 F N 2.904 122.912 119.950 0.096 0.000 2.678 89 F HA 0.433 4.960 4.527 0.000 0.000 0.305 89 F C 0.987 176.818 175.800 0.052 0.000 1.090 89 F CA 0.070 58.112 58.000 0.069 0.000 1.272 89 F CB 0.231 39.267 39.000 0.060 0.000 1.060 89 F HN 0.537 nan 8.300 nan 0.000 0.576 90 K N 0.897 121.396 120.400 0.164 0.000 2.616 90 K HA 0.595 4.915 4.320 0.000 0.000 0.255 90 K C -0.839 175.801 176.600 0.067 0.000 0.995 90 K CA -0.567 55.785 56.287 0.108 0.000 0.860 90 K CB 1.291 33.855 32.500 0.106 0.000 1.264 90 K HN -0.066 nan 8.250 nan 0.000 0.451 91 A N 2.167 125.011 122.820 0.040 0.000 2.584 91 A HA 0.386 4.706 4.320 0.000 0.000 0.239 91 A C 1.223 178.823 177.584 0.027 0.000 1.043 91 A CA 1.556 53.603 52.037 0.017 0.000 0.756 91 A CB -0.556 18.446 19.000 0.004 0.000 0.963 91 A HN 1.365 nan 8.150 nan 0.000 0.511 92 G N 1.307 110.122 108.800 0.025 0.000 2.184 92 G HA2 -0.002 3.958 3.960 0.000 0.000 0.206 92 G HA3 -0.002 3.958 3.960 0.000 0.000 0.206 92 G C 0.407 175.341 174.900 0.056 0.000 0.995 92 G CA 0.724 45.845 45.100 0.036 0.000 0.651 92 G HN 2.418 nan 8.290 nan 0.000 0.511 93 T N -2.966 111.629 114.554 0.068 0.000 2.865 93 T HA 0.811 5.161 4.350 0.000 0.000 0.294 93 T C -0.942 173.817 174.700 0.099 0.000 1.119 93 T CA -0.255 61.898 62.100 0.088 0.000 1.007 93 T CB 2.814 71.737 68.868 0.091 0.000 1.225 93 T HN 1.547 nan 8.240 nan 0.000 0.515 94 V N 0.452 120.417 119.914 0.084 0.000 2.760 94 V HA 0.744 4.864 4.120 0.000 0.000 0.309 94 V C -1.137 174.960 176.094 0.005 0.000 1.077 94 V CA -0.387 61.921 62.300 0.013 0.000 0.910 94 V CB 2.331 34.065 31.823 -0.148 0.000 1.008 94 V HN 1.174 nan 8.190 nan 0.000 0.424 95 S N 4.705 120.419 115.700 0.023 0.000 2.473 95 S HA 0.409 4.879 4.470 0.000 0.000 0.307 95 S C -0.464 174.231 174.600 0.159 0.000 1.094 95 S CA -0.363 57.932 58.200 0.158 0.000 1.070 95 S CB 1.292 64.707 63.200 0.357 0.000 1.019 95 S HN 1.057 nan 8.310 nan 0.000 0.480 96 C N 6.103 125.568 119.300 0.274 0.000 2.653 96 C HA 0.216 4.676 4.460 0.000 0.000 0.421 96 C C 1.968 177.084 174.990 0.210 0.000 1.334 96 C CA -0.578 58.636 59.018 0.328 0.000 1.885 96 C CB -0.706 27.264 27.740 0.383 0.000 2.645 96 C HN 1.058 nan 8.230 nan 0.000 0.601 97 W N 4.709 126.175 121.300 0.278 0.000 2.595 97 W HA -0.045 4.615 4.660 0.000 0.000 0.257 97 W C 1.293 177.947 176.519 0.226 0.000 1.267 97 W CA 0.307 57.774 57.345 0.202 0.000 1.300 97 W CB -1.123 28.404 29.460 0.112 0.000 1.120 97 W HN 0.820 nan 8.180 nan 0.000 0.618 98 Y N 2.000 121.910 120.300 -0.650 0.000 2.163 98 Y HA -0.043 4.507 4.550 0.000 0.000 0.288 98 Y C 1.482 177.082 175.900 -0.501 0.000 1.112 98 Y CA 1.628 59.303 58.100 -0.710 0.000 1.104 98 Y CB -0.875 36.877 38.460 -1.179 0.000 1.016 98 Y HN -0.029 nan 8.280 nan 0.000 0.497 99 H N -1.493 117.535 119.070 -0.071 0.000 2.785 99 H HA 0.374 4.930 4.556 0.000 0.000 0.268 99 H C 1.324 176.735 175.328 0.140 0.000 1.153 99 H CA 0.284 56.313 56.048 -0.031 0.000 1.111 99 H CB 0.501 30.196 29.762 -0.112 0.000 1.633 99 H HN 0.385 nan 8.280 nan 0.000 0.576 100 G N 0.152 109.102 108.800 0.250 0.000 2.148 100 G HA2 -0.293 3.667 3.960 0.000 0.000 0.254 100 G HA3 -0.293 3.667 3.960 0.000 0.000 0.254 100 G C -0.325 174.770 174.900 0.325 0.000 0.981 100 G CA -0.192 45.067 45.100 0.265 0.000 0.670 100 G HN 0.227 nan 8.290 nan 0.000 0.528 101 W N 1.207 122.537 121.300 0.049 0.000 2.295 101 W HA 0.506 5.166 4.660 0.000 0.000 0.335 101 W C 0.779 177.224 176.519 -0.123 0.000 1.351 101 W CA 0.490 57.783 57.345 -0.087 0.000 1.273 101 W CB 0.264 29.694 29.460 -0.050 0.000 1.214 101 W HN 0.072 nan 8.180 nan 0.000 0.563 102 T N 4.736 119.214 114.554 -0.126 0.000 2.807 102 T HA 0.476 4.826 4.350 0.000 0.000 0.279 102 T C -1.136 173.390 174.700 -0.290 0.000 0.993 102 T CA -0.484 61.564 62.100 -0.086 0.000 0.970 102 T CB 0.765 69.639 68.868 0.010 0.000 0.950 102 T HN 0.016 nan 8.240 nan 0.000 0.441 103 Y N 0.780 121.099 120.300 0.031 0.000 2.468 103 Y HA 0.419 4.969 4.550 0.000 0.000 0.342 103 Y C 0.402 176.315 175.900 0.020 0.000 1.021 103 Y CA -1.447 56.673 58.100 0.034 0.000 1.079 103 Y CB 0.999 39.492 38.460 0.055 0.000 1.226 103 Y HN 0.500 nan 8.280 nan 0.000 0.460 104 D N 2.465 122.971 120.400 0.177 0.000 2.317 104 D HA 0.111 4.751 4.640 0.000 0.000 0.252 104 D C 0.710 177.083 176.300 0.121 0.000 1.174 104 D CA 0.200 54.267 54.000 0.111 0.000 0.866 104 D CB 1.125 41.969 40.800 0.073 0.000 1.127 104 D HN 0.691 nan 8.370 nan 0.000 0.467 105 L N 3.036 124.318 121.223 0.099 0.000 2.191 105 L HA -0.143 4.197 4.340 0.000 0.000 0.212 105 L C 1.632 178.550 176.870 0.080 0.000 1.103 105 L CA 0.708 55.604 54.840 0.093 0.000 0.769 105 L CB -0.102 42.005 42.059 0.081 0.000 0.908 105 L HN 0.396 nan 8.230 nan 0.000 0.438 106 D N 0.302 120.741 120.400 0.065 0.000 2.178 106 D HA -0.144 4.496 4.640 0.000 0.000 0.202 106 D C 1.105 177.433 176.300 0.047 0.000 0.974 106 D CA 1.558 55.589 54.000 0.052 0.000 0.841 106 D CB 0.009 40.832 40.800 0.040 0.000 0.953 106 D HN 0.584 nan 8.370 nan 0.000 0.478 107 D N -2.610 117.822 120.400 0.053 0.000 2.525 107 D HA 0.175 4.815 4.640 0.000 0.000 0.231 107 D C 1.436 177.773 176.300 0.063 0.000 1.216 107 D CA 0.503 54.530 54.000 0.044 0.000 0.813 107 D CB 0.031 40.852 40.800 0.034 0.000 1.108 107 D HN 0.090 nan 8.370 nan 0.000 0.524 108 G N 0.775 109.633 108.800 0.097 0.000 2.175 108 G HA2 -0.339 3.621 3.960 0.000 0.000 0.265 108 G HA3 -0.339 3.621 3.960 0.000 0.000 0.265 108 G C 0.287 175.331 174.900 0.241 0.000 0.979 108 G CA 0.099 45.285 45.100 0.143 0.000 0.663 108 G HN 0.359 nan 8.290 nan 0.000 0.533 109 R N -0.478 120.127 120.500 0.175 0.000 2.594 109 R HA 0.359 4.699 4.340 0.000 0.000 0.272 109 R C 0.385 176.763 176.300 0.129 0.000 1.074 109 R CA -0.764 55.424 56.100 0.146 0.000 1.105 109 R CB 0.896 31.231 30.300 0.058 0.000 1.008 109 R HN 0.299 nan 8.270 nan 0.000 0.472 110 L N 4.035 125.268 121.223 0.016 0.000 2.369 110 L HA 0.005 4.345 4.340 0.000 0.000 0.279 110 L C 0.901 177.640 176.870 -0.219 0.000 1.108 110 L CA 0.353 55.024 54.840 -0.281 0.000 0.852 110 L CB 0.925 42.757 42.059 -0.378 0.000 1.169 110 L HN 0.550 nan 8.230 nan 0.000 0.452 111 V N 0.374 120.168 119.914 -0.201 0.000 3.643 111 V HA 0.515 4.635 4.120 0.000 0.000 0.280 111 V C 0.301 176.299 176.094 -0.160 0.000 1.351 111 V CA 0.146 62.364 62.300 -0.136 0.000 1.073 111 V CB -0.034 31.750 31.823 -0.065 0.000 0.863 111 V HN 0.798 nan 8.190 nan 0.000 0.436 112 D N -1.151 119.113 120.400 -0.226 0.000 2.755 112 D HA 0.471 5.112 4.640 0.000 0.000 0.277 112 D C -1.812 174.329 176.300 -0.264 0.000 1.261 112 D CA -0.109 53.768 54.000 -0.204 0.000 0.759 112 D CB 2.716 43.450 40.800 -0.112 0.000 1.279 112 D HN -0.085 nan 8.370 nan 0.000 0.420 113 V N 2.920 122.705 119.914 -0.214 0.000 2.498 113 V HA 0.104 4.224 4.120 0.000 0.000 0.283 113 V C 1.047 177.099 176.094 -0.070 0.000 1.015 113 V CA -0.537 61.655 62.300 -0.180 0.000 0.867 113 V CB 1.379 33.007 31.823 -0.325 0.000 1.025 113 V HN 0.483 nan 8.190 nan 0.000 0.441 114 L N 3.842 125.059 121.223 -0.011 0.000 2.129 114 L HA -0.132 4.208 4.340 0.000 0.000 0.212 114 L C 2.567 179.429 176.870 -0.013 0.000 1.087 114 L CA 2.746 57.572 54.840 -0.023 0.000 0.757 114 L CB -0.968 41.080 42.059 -0.019 0.000 0.896 114 L HN 0.908 nan 8.230 nan 0.000 0.434 115 T N -6.385 108.187 114.554 0.030 0.000 3.107 115 T HA 0.111 4.461 4.350 0.000 0.000 0.249 115 T C 0.941 175.645 174.700 0.007 0.000 1.096 115 T CA 0.566 62.686 62.100 0.033 0.000 1.012 115 T CB 0.041 68.961 68.868 0.087 0.000 0.977 115 T HN 0.136 nan 8.240 nan 0.000 0.527 116 S N 2.815 118.500 115.700 -0.025 0.000 2.592 116 S HA 0.354 4.824 4.470 0.000 0.000 0.151 116 S C -3.056 171.495 174.600 -0.082 0.000 1.280 116 S CA -1.121 57.050 58.200 -0.049 0.000 1.187 116 S CB 0.711 63.880 63.200 -0.053 0.000 1.471 116 S HN 0.157 nan 8.310 nan 0.000 0.409 117 P HA 0.208 nan 4.420 nan 0.000 0.264 117 P C 1.014 178.264 177.300 -0.083 0.000 1.183 117 P CA 1.417 64.470 63.100 -0.078 0.000 0.763 117 P CB 0.331 31.995 31.700 -0.060 0.000 0.807 118 G N 1.678 110.420 108.800 -0.097 0.000 2.155 118 G HA2 -0.282 3.678 3.960 0.000 0.000 0.257 118 G HA3 -0.282 3.678 3.960 0.000 0.000 0.257 118 G C 0.432 175.266 174.900 -0.110 0.000 0.983 118 G CA 0.344 45.388 45.100 -0.094 0.000 0.676 118 G HN 0.833 nan 8.290 nan 0.000 0.528 119 S N 1.058 116.674 115.700 -0.141 0.000 2.558 119 S HA 0.339 4.809 4.470 0.000 0.000 0.293 119 S C 0.311 174.811 174.600 -0.167 0.000 1.292 119 S CA -0.069 58.036 58.200 -0.159 0.000 1.063 119 S CB 0.953 64.021 63.200 -0.220 0.000 0.831 119 S HN 0.267 nan 8.310 nan 0.000 0.499 120 P HA -0.066 nan 4.420 nan 0.000 0.231 120 P C 1.262 178.474 177.300 -0.145 0.000 1.158 120 P CA 0.906 63.935 63.100 -0.117 0.000 0.763 120 P CB -0.363 31.288 31.700 -0.082 0.000 0.805 121 V N -3.728 116.056 119.914 -0.215 0.000 3.129 121 V HA 0.066 4.186 4.120 0.000 0.000 0.259 121 V C 1.375 177.289 176.094 -0.300 0.000 1.116 121 V CA 0.021 62.165 62.300 -0.261 0.000 1.127 121 V CB -1.228 30.361 31.823 -0.390 0.000 0.742 121 V HN -0.147 nan 8.190 nan 0.000 0.474 122 I N 2.628 123.016 120.570 -0.304 0.000 2.752 122 I HA 0.362 4.532 4.170 0.000 0.000 0.289 122 I C 1.640 177.651 176.117 -0.176 0.000 1.197 122 I CA 1.556 62.692 61.300 -0.272 0.000 1.432 122 I CB 0.177 38.038 38.000 -0.232 0.000 1.359 122 I HN 0.494 nan 8.210 nan 0.000 0.571 123 G N 4.912 113.623 108.800 -0.150 0.000 2.205 123 G HA2 -0.315 3.645 3.960 0.000 0.000 0.261 123 G HA3 -0.315 3.645 3.960 0.000 0.000 0.261 123 G C 0.883 175.742 174.900 -0.067 0.000 0.980 123 G CA 0.258 45.304 45.100 -0.089 0.000 0.632 123 G HN 0.673 nan 8.290 nan 0.000 0.533 124 K N -0.500 119.849 120.400 -0.085 0.000 2.358 124 K HA 0.516 4.836 4.320 0.000 0.000 0.200 124 K C 0.543 177.130 176.600 -0.021 0.000 1.030 124 K CA 0.150 56.407 56.287 -0.051 0.000 1.097 124 K CB 0.797 33.262 32.500 -0.059 0.000 0.862 124 K HN 0.440 nan 8.250 nan 0.000 0.534 125 I N -0.182 120.374 120.570 -0.023 0.000 2.865 125 I HA 0.449 4.619 4.170 0.000 0.000 0.302 125 I C -0.392 175.799 176.117 0.123 0.000 1.140 125 I CA -1.105 60.232 61.300 0.060 0.000 1.021 125 I CB 2.490 40.536 38.000 0.077 0.000 1.233 125 I HN -0.031 nan 8.210 nan 0.000 0.427 126 G N 4.232 113.149 108.800 0.196 0.000 2.673 126 G HA2 0.707 4.667 3.960 0.000 0.000 0.292 126 G HA3 0.707 4.667 3.960 0.000 0.000 0.292 126 G C -1.499 173.528 174.900 0.211 0.000 1.450 126 G CA -0.584 44.659 45.100 0.239 0.000 0.837 126 G HN 0.682 nan 8.290 nan 0.000 0.505 127 I N -2.108 118.566 120.570 0.173 0.000 3.067 127 I HA 0.818 4.988 4.170 0.000 0.000 0.312 127 I C -0.250 175.869 176.117 0.003 0.000 1.073 127 I CA -1.521 59.812 61.300 0.055 0.000 1.016 127 I CB 2.215 40.188 38.000 -0.045 0.000 1.227 127 I HN 0.428 nan 8.210 nan 0.000 0.456 128 K N 2.721 123.088 120.400 -0.055 0.000 2.350 128 K HA 0.437 4.757 4.320 0.000 0.000 0.279 128 K C -0.831 175.644 176.600 -0.208 0.000 1.027 128 K CA -0.182 55.996 56.287 -0.181 0.000 0.969 128 K CB 0.731 33.052 32.500 -0.298 0.000 0.954 128 K HN 0.624 nan 8.250 nan 0.000 0.474 129 V N 1.625 121.394 119.914 -0.243 0.000 2.864 129 V HA 0.624 4.744 4.120 0.000 0.000 0.314 129 V C -1.186 174.760 176.094 -0.246 0.000 1.073 129 V CA -1.002 61.238 62.300 -0.100 0.000 0.956 129 V CB 1.093 32.926 31.823 0.016 0.000 1.023 129 V HN 0.662 nan 8.190 nan 0.000 0.435 130 Y N 1.430 121.762 120.300 0.053 0.000 2.468 130 Y HA 0.736 5.286 4.550 0.000 0.000 0.342 130 Y C -2.435 173.503 175.900 0.063 0.000 1.021 130 Y CA -2.858 55.271 58.100 0.048 0.000 1.079 130 Y CB 1.506 39.994 38.460 0.047 0.000 1.226 130 Y HN 0.465 nan 8.280 nan 0.000 0.460 131 P HA 0.200 nan 4.420 nan 0.000 0.271 131 P C -1.073 176.423 177.300 0.326 0.000 1.216 131 P CA -0.068 63.129 63.100 0.162 0.000 0.771 131 P CB 0.800 32.483 31.700 -0.028 0.000 0.864 132 V N 3.613 123.746 119.914 0.365 0.000 2.735 132 V HA 0.517 4.637 4.120 0.000 0.000 0.310 132 V C -0.334 175.949 176.094 0.314 0.000 1.061 132 V CA -0.424 62.111 62.300 0.390 0.000 0.913 132 V CB 1.920 33.872 31.823 0.214 0.000 1.005 132 V HN 0.488 nan 8.190 nan 0.000 0.428 133 Q N 2.257 122.184 119.800 0.213 0.000 2.263 133 Q HA 0.593 4.933 4.340 0.000 0.000 0.262 133 Q C -2.021 173.997 176.000 0.030 0.000 0.984 133 Q CA -0.397 55.385 55.803 -0.035 0.000 0.813 133 Q CB 2.469 30.938 28.738 -0.448 0.000 1.299 133 Q HN 0.582 nan 8.270 nan 0.000 0.428 134 V N 2.316 122.243 119.914 0.022 0.000 2.407 134 V HA 0.859 4.980 4.120 0.000 0.000 0.278 134 V C -0.368 175.756 176.094 0.049 0.000 1.037 134 V CA -0.223 62.099 62.300 0.038 0.000 0.900 134 V CB 1.117 32.947 31.823 0.013 0.000 0.983 134 V HN 0.788 nan 8.190 nan 0.000 0.459 135 A N 4.012 126.914 122.820 0.138 0.000 2.459 135 A HA 0.679 4.999 4.320 0.000 0.000 0.296 135 A C -0.128 177.560 177.584 0.174 0.000 1.039 135 A CA -0.457 51.658 52.037 0.130 0.000 0.698 135 A CB 1.594 20.652 19.000 0.096 0.000 1.261 135 A HN 0.742 nan 8.150 nan 0.000 0.405 136 Q N 0.717 120.537 119.800 0.034 0.000 2.468 136 Q HA -0.244 4.096 4.340 0.000 0.000 0.289 136 Q C 1.048 176.989 176.000 -0.099 0.000 1.299 136 Q CA 1.985 57.740 55.803 -0.081 0.000 0.838 136 Q CB -2.060 26.574 28.738 -0.173 0.000 1.195 136 Q HN 2.621 nan 8.270 nan 0.000 0.456 137 G N -2.183 106.564 108.800 -0.090 0.000 2.168 137 G HA2 -0.330 3.631 3.960 0.000 0.000 0.263 137 G HA3 -0.330 3.631 3.960 0.000 0.000 0.263 137 G C 0.176 175.040 174.900 -0.060 0.000 0.977 137 G CA 0.308 45.332 45.100 -0.126 0.000 0.659 137 G HN 0.421 nan 8.290 nan 0.000 0.533 138 V N 0.662 120.510 119.914 -0.109 0.000 2.459 138 V HA 0.572 4.692 4.120 0.000 0.000 0.295 138 V C 0.589 176.366 176.094 -0.528 0.000 1.029 138 V CA -0.894 61.150 62.300 -0.427 0.000 0.874 138 V CB 2.043 33.457 31.823 -0.682 0.000 0.985 138 V HN 0.196 nan 8.190 nan 0.000 0.438 139 V N 5.759 125.344 119.914 -0.548 0.000 2.389 139 V HA 0.353 4.473 4.120 0.000 0.000 0.264 139 V C -0.337 175.447 176.094 -0.517 0.000 1.049 139 V CA -0.009 62.078 62.300 -0.355 0.000 0.932 139 V CB 0.131 31.842 31.823 -0.188 0.000 1.011 139 V HN 0.600 nan 8.190 nan 0.000 0.475 140 F N 3.845 123.725 119.950 -0.117 0.000 2.422 140 F HA 0.675 5.202 4.527 0.000 0.000 0.333 140 F C 0.183 176.130 175.800 0.245 0.000 1.095 140 F CA -0.642 57.343 58.000 -0.024 0.000 1.038 140 F CB 1.873 40.806 39.000 -0.111 0.000 1.156 140 F HN 0.152 nan 8.300 nan 0.000 0.483 141 V N 3.283 123.472 119.914 0.458 0.000 2.656 141 V HA 0.292 4.412 4.120 0.000 0.000 0.307 141 V C -1.035 175.195 176.094 0.226 0.000 1.051 141 V CA -1.019 61.483 62.300 0.338 0.000 0.893 141 V CB 2.016 33.874 31.823 0.059 0.000 0.999 141 V HN 0.533 nan 8.190 nan 0.000 0.426 142 F N 5.847 125.635 119.950 -0.269 0.000 2.404 142 F HA 0.568 5.095 4.527 0.000 0.000 0.358 142 F C -0.156 175.518 175.800 -0.210 0.000 1.120 142 F CA -0.573 57.017 58.000 -0.685 0.000 1.144 142 F CB 0.496 38.665 39.000 -1.384 0.000 1.133 142 F HN 0.231 nan 8.300 nan 0.000 0.495 143 I N 5.701 125.938 120.570 -0.556 0.000 2.336 143 I HA 0.696 4.866 4.170 0.000 0.000 0.292 143 I C 0.426 176.283 176.117 -0.433 0.000 0.991 143 I CA -0.366 60.783 61.300 -0.252 0.000 1.227 143 I CB 0.497 38.429 38.000 -0.112 0.000 1.366 143 I HN 0.741 nan 8.210 nan 0.000 0.466 144 G N 5.668 114.366 108.800 -0.169 0.000 2.351 144 G HA2 -0.021 3.939 3.960 0.000 0.000 0.353 144 G HA3 -0.021 3.939 3.960 0.000 0.000 0.353 144 G C -0.380 174.521 174.900 0.001 0.000 1.358 144 G CA -0.602 44.423 45.100 -0.124 0.000 0.995 144 G HN 0.450 nan 8.290 nan 0.000 0.611 145 D N 0.108 120.519 120.400 0.019 0.000 2.305 145 D HA 0.068 4.708 4.640 0.000 0.000 0.206 145 D C 1.061 177.393 176.300 0.053 0.000 0.974 145 D CA 0.765 54.782 54.000 0.028 0.000 0.871 145 D CB 0.536 41.344 40.800 0.013 0.000 0.947 145 D HN 0.595 nan 8.370 nan 0.000 0.516 146 E N 1.396 121.655 120.200 0.099 0.000 2.391 146 E HA 0.132 4.483 4.350 0.000 0.000 0.255 146 E C 0.177 176.807 176.600 0.050 0.000 1.187 146 E CA -0.151 56.301 56.400 0.087 0.000 0.941 146 E CB 0.933 30.700 29.700 0.111 0.000 1.010 146 E HN 0.099 nan 8.360 nan 0.000 0.458 147 E N 2.090 122.247 120.200 -0.072 0.000 2.366 147 E HA 0.120 4.470 4.350 0.000 0.000 0.266 147 E C -2.050 174.226 176.600 -0.540 0.000 1.051 147 E CA -1.675 54.592 56.400 -0.222 0.000 0.884 147 E CB 0.199 29.808 29.700 -0.152 0.000 1.006 147 E HN 0.278 nan 8.360 nan 0.000 0.417 148 P HA -0.017 nan 4.420 nan 0.000 0.271 148 P C -0.736 176.105 177.300 -0.766 0.000 1.218 148 P CA 0.246 62.273 63.100 -1.787 0.000 0.780 148 P CB 0.663 31.415 31.700 -1.579 0.000 0.901 149 H N 0.539 119.341 119.070 -0.446 0.000 2.748 149 H HA 0.610 5.166 4.556 0.000 0.000 0.315 149 H C -0.184 175.205 175.328 0.101 0.000 1.429 149 H CA -1.237 54.736 56.048 -0.125 0.000 1.444 149 H CB 0.267 29.945 29.762 -0.140 0.000 1.827 149 H HN 0.491 nan 8.280 nan 0.000 0.754 150 A N 1.220 124.165 122.820 0.209 0.000 2.546 150 A HA 0.028 4.348 4.320 0.000 0.000 0.243 150 A C 1.391 179.014 177.584 0.066 0.000 1.063 150 A CA -0.323 51.765 52.037 0.086 0.000 0.757 150 A CB -0.207 18.808 19.000 0.025 0.000 0.991 150 A HN 0.675 nan 8.150 nan 0.000 0.503 151 L N 3.830 124.860 121.223 -0.322 0.000 2.079 151 L HA -0.196 4.144 4.340 0.000 0.000 0.210 151 L C 2.641 179.269 176.870 -0.403 0.000 1.081 151 L CA 3.041 57.420 54.840 -0.769 0.000 0.752 151 L CB -0.772 40.612 42.059 -1.125 0.000 0.896 151 L HN 0.894 nan 8.230 nan 0.000 0.433 152 S N -1.550 113.991 115.700 -0.266 0.000 2.440 152 S HA -0.224 4.246 4.470 0.000 0.000 0.238 152 S C 1.708 176.254 174.600 -0.089 0.000 1.010 152 S CA 1.324 59.412 58.200 -0.186 0.000 0.972 152 S CB -0.763 62.362 63.200 -0.125 0.000 0.774 152 S HN 0.692 nan 8.310 nan 0.000 0.501 153 E N 0.824 121.021 120.200 -0.005 0.000 2.347 153 E HA -0.026 4.324 4.350 0.000 0.000 0.196 153 E C 0.312 176.967 176.600 0.091 0.000 1.008 153 E CA 0.758 57.192 56.400 0.057 0.000 0.852 153 E CB 0.033 29.663 29.700 -0.117 0.000 0.783 153 E HN 0.572 nan 8.360 nan 0.000 0.505 154 D N 0.009 120.445 120.400 0.060 0.000 2.501 154 D HA 0.194 4.835 4.640 0.000 0.000 0.226 154 D C -0.281 175.978 176.300 -0.068 0.000 1.198 154 D CA 0.167 54.215 54.000 0.081 0.000 0.830 154 D CB 0.682 41.594 40.800 0.186 0.000 1.014 154 D HN 0.053 nan 8.370 nan 0.000 0.496 155 L N 0.415 121.540 121.223 -0.163 0.000 2.371 155 L HA 0.450 4.790 4.340 0.000 0.000 0.262 155 L C -2.514 174.147 176.870 -0.349 0.000 1.006 155 L CA -2.164 52.483 54.840 -0.322 0.000 0.818 155 L CB 2.727 44.478 42.059 -0.513 0.000 1.354 155 L HN -0.353 nan 8.230 nan 0.000 0.415 156 P HA 0.178 nan 4.420 nan 0.000 0.272 156 P C -2.550 174.377 177.300 -0.623 0.000 1.223 156 P CA -1.084 61.496 63.100 -0.866 0.000 0.784 156 P CB -0.017 31.446 31.700 -0.396 0.000 0.923 157 P HA 0.093 nan 4.420 nan 0.000 0.268 157 P C 0.979 178.172 177.300 -0.179 0.000 1.205 157 P CA 1.107 63.941 63.100 -0.442 0.000 0.771 157 P CB 0.171 31.573 31.700 -0.497 0.000 0.858 158 G N 1.723 110.469 108.800 -0.091 0.000 2.268 158 G HA2 -0.372 3.588 3.960 0.000 0.000 0.240 158 G HA3 -0.372 3.588 3.960 0.000 0.000 0.240 158 G C 0.921 175.845 174.900 0.039 0.000 1.010 158 G CA 0.222 45.325 45.100 0.005 0.000 0.618 158 G HN 0.499 nan 8.290 nan 0.000 0.516 159 F N 1.439 121.272 119.950 -0.194 0.000 2.126 159 F HA 0.193 4.720 4.527 0.000 0.000 0.299 159 F C 2.213 177.872 175.800 -0.235 0.000 1.096 159 F CA 2.143 59.898 58.000 -0.408 0.000 1.255 159 F CB -0.084 38.539 39.000 -0.629 0.000 0.997 159 F HN 0.183 nan 8.300 nan 0.000 0.479 160 L N 0.199 121.444 121.223 0.038 0.000 2.627 160 L HA 0.041 4.381 4.340 0.000 0.000 0.232 160 L C -0.271 176.558 176.870 -0.069 0.000 1.150 160 L CA -0.308 54.522 54.840 -0.015 0.000 0.917 160 L CB -0.934 41.114 42.059 -0.020 0.000 1.104 160 L HN -0.110 nan 8.230 nan 0.000 0.445 161 D N 1.241 121.592 120.400 -0.082 0.000 2.531 161 D HA -0.041 4.599 4.640 0.000 0.000 0.239 161 D C 1.164 177.425 176.300 -0.064 0.000 1.144 161 D CA 0.380 54.342 54.000 -0.064 0.000 0.869 161 D CB 1.026 41.793 40.800 -0.055 0.000 1.160 161 D HN 0.212 nan 8.370 nan 0.000 0.484 162 E N 0.948 121.122 120.200 -0.044 0.000 2.268 162 E HA -0.129 4.221 4.350 0.000 0.000 0.195 162 E C 0.792 177.379 176.600 -0.020 0.000 0.995 162 E CA 0.762 57.143 56.400 -0.031 0.000 0.836 162 E CB 0.012 29.698 29.700 -0.024 0.000 0.763 162 E HN 0.449 nan 8.360 nan 0.000 0.491 163 D N 0.815 121.200 120.400 -0.025 0.000 2.538 163 D HA -0.017 4.623 4.640 0.000 0.000 0.234 163 D C -0.004 176.282 176.300 -0.025 0.000 1.191 163 D CA -0.060 53.928 54.000 -0.019 0.000 0.828 163 D CB -0.395 40.392 40.800 -0.021 0.000 0.981 163 D HN 0.095 nan 8.370 nan 0.000 0.490 164 T N -3.728 110.811 114.554 -0.026 0.000 2.865 164 T HA 0.546 4.896 4.350 0.000 0.000 0.294 164 T C -1.243 173.474 174.700 0.028 0.000 1.119 164 T CA -0.880 61.199 62.100 -0.036 0.000 1.007 164 T CB 2.525 71.341 68.868 -0.086 0.000 1.225 164 T HN 0.130 nan 8.240 nan 0.000 0.515 165 H N -0.758 118.268 119.070 -0.073 0.000 2.717 165 H HA 0.753 5.310 4.556 0.000 0.000 0.366 165 H C -1.747 173.632 175.328 0.085 0.000 1.132 165 H CA -0.767 55.294 56.048 0.022 0.000 1.180 165 H CB 1.282 31.128 29.762 0.140 0.000 1.678 165 H HN 0.587 nan 8.280 nan 0.000 0.537 166 L N 4.347 125.359 121.223 -0.352 0.000 2.354 166 L HA 0.572 4.912 4.340 0.000 0.000 0.269 166 L C -1.186 175.530 176.870 -0.257 0.000 1.005 166 L CA -0.412 54.341 54.840 -0.145 0.000 0.819 166 L CB 1.925 43.833 42.059 -0.251 0.000 1.311 166 L HN 0.512 nan 8.230 nan 0.000 0.423 167 L N 1.222 122.295 121.223 -0.251 0.000 2.455 167 L HA 0.942 5.282 4.340 0.000 0.000 0.264 167 L C -0.128 176.377 176.870 -0.610 0.000 0.968 167 L CA -0.346 54.057 54.840 -0.728 0.000 0.827 167 L CB 2.252 43.399 42.059 -1.520 0.000 1.317 167 L HN 0.730 nan 8.230 nan 0.000 0.407 168 G N 1.920 110.340 108.800 -0.633 0.000 2.682 168 G HA2 0.816 4.776 3.960 0.000 0.000 0.303 168 G HA3 0.816 4.776 3.960 0.000 0.000 0.303 168 G C -1.669 172.861 174.900 -0.616 0.000 1.341 168 G CA -0.532 44.418 45.100 -0.251 0.000 0.784 168 G HN 0.698 nan 8.290 nan 0.000 0.497 169 I N -2.619 117.861 120.570 -0.150 0.000 3.191 169 I HA 0.922 5.092 4.170 0.000 0.000 0.313 169 I C -0.867 175.312 176.117 0.103 0.000 1.193 169 I CA -1.526 59.700 61.300 -0.122 0.000 0.968 169 I CB 2.681 40.633 38.000 -0.080 0.000 1.262 169 I HN 0.851 nan 8.210 nan 0.000 0.456 170 R N 1.955 122.447 120.500 -0.013 0.000 2.774 170 R HA 0.858 5.198 4.340 0.000 0.000 0.272 170 R C -1.422 174.763 176.300 -0.192 0.000 1.000 170 R CA -0.962 54.936 56.100 -0.336 0.000 0.906 170 R CB 2.463 32.203 30.300 -0.933 0.000 1.227 170 R HN 0.990 nan 8.270 nan 0.000 0.468 171 R N 0.174 120.580 120.500 -0.156 0.000 2.716 171 R HA 0.380 4.720 4.340 0.000 0.000 0.271 171 R C -1.522 174.781 176.300 0.005 0.000 1.028 171 R CA -0.917 55.169 56.100 -0.023 0.000 0.883 171 R CB 1.850 32.194 30.300 0.074 0.000 1.250 171 R HN 0.561 nan 8.270 nan 0.000 0.465 172 T N 1.394 115.955 114.554 0.011 0.000 2.845 172 T HA 0.443 4.793 4.350 0.000 0.000 0.288 172 T C -0.521 174.165 174.700 -0.023 0.000 0.980 172 T CA -0.394 61.703 62.100 -0.006 0.000 1.071 172 T CB 1.297 70.168 68.868 0.005 0.000 0.941 172 T HN 0.305 nan 8.240 nan 0.000 0.487 173 V N 3.829 123.652 119.914 -0.151 0.000 2.656 173 V HA 0.292 4.412 4.120 0.000 0.000 0.307 173 V C -0.112 175.915 176.094 -0.111 0.000 1.051 173 V CA -0.969 61.219 62.300 -0.185 0.000 0.893 173 V CB 2.062 33.613 31.823 -0.453 0.000 0.999 173 V HN 0.727 nan 8.190 nan 0.000 0.426 174 Q N 3.309 123.117 119.800 0.013 0.000 3.247 174 Q HA 0.328 4.668 4.340 0.000 0.000 0.326 174 Q C 0.179 176.252 176.000 0.122 0.000 1.402 174 Q CA 0.026 55.871 55.803 0.070 0.000 0.994 174 Q CB 0.554 29.337 28.738 0.074 0.000 1.647 174 Q HN 0.874 nan 8.270 nan 0.000 0.523 175 S N -0.541 115.273 115.700 0.190 0.000 2.565 175 S HA 0.309 4.779 4.470 0.000 0.000 0.269 175 S C -0.550 174.256 174.600 0.343 0.000 1.153 175 S CA -1.003 57.339 58.200 0.236 0.000 0.835 175 S CB 1.661 64.995 63.200 0.223 0.000 1.122 175 S HN 0.426 nan 8.310 nan 0.000 0.462 176 N N 1.288 120.120 118.700 0.219 0.000 2.374 176 N HA -0.026 4.714 4.740 0.000 0.000 0.241 176 N C 1.535 177.115 175.510 0.115 0.000 1.262 176 N CA 0.404 53.573 53.050 0.197 0.000 0.880 176 N CB 0.379 38.929 38.487 0.104 0.000 1.105 176 N HN 0.928 nan 8.380 nan 0.000 0.438 177 W N 4.788 126.085 121.300 -0.005 0.000 2.374 177 W HA -0.111 4.549 4.660 0.000 0.000 0.288 177 W C 1.225 177.600 176.519 -0.240 0.000 1.218 177 W CA 0.315 57.514 57.345 -0.243 0.000 1.245 177 W CB -0.769 28.676 29.460 -0.026 0.000 1.126 177 W HN 0.584 nan 8.180 nan 0.000 0.545 178 R N 0.894 120.712 120.500 -1.137 0.000 2.120 178 R HA -0.061 4.279 4.340 0.000 0.000 0.234 178 R C 2.477 178.531 176.300 -0.410 0.000 1.123 178 R CA 1.724 57.257 56.100 -0.946 0.000 0.975 178 R CB -0.553 29.169 30.300 -0.963 0.000 0.866 178 R HN 0.259 nan 8.270 nan 0.000 0.446 179 L N -0.630 120.392 121.223 -0.335 0.000 2.217 179 L HA -0.029 4.311 4.340 0.000 0.000 0.211 179 L C 2.405 179.082 176.870 -0.323 0.000 1.107 179 L CA 1.033 55.696 54.840 -0.295 0.000 0.783 179 L CB -0.569 41.374 42.059 -0.194 0.000 0.919 179 L HN 0.350 nan 8.230 nan 0.000 0.442 180 G N -0.135 108.399 108.800 -0.444 0.000 2.404 180 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 1.585 175.852 174.900 -1.055 0.000 1.189 180 G CA 0.697 45.481 45.100 -0.527 0.000 0.789 180 G HN 0.125 nan 8.290 nan 0.000 0.533 181 V N 1.149 120.334 119.914 -1.215 0.000 2.255 181 V HA -0.223 3.898 4.120 0.000 0.000 0.247 181 V C 2.613 178.327 176.094 -0.633 0.000 1.051 181 V CA 2.302 63.906 62.300 -1.159 0.000 1.018 181 V CB -0.668 30.798 31.823 -0.594 0.000 0.641 181 V HN 0.464 nan 8.190 nan 0.000 0.445 182 E N 0.051 120.012 120.200 -0.399 0.000 2.338 182 E HA -0.191 4.159 4.350 0.000 0.000 0.197 182 E C 2.076 178.527 176.600 -0.249 0.000 1.007 182 E CA 0.910 57.177 56.400 -0.221 0.000 0.849 182 E CB -0.256 29.374 29.700 -0.117 0.000 0.774 182 E HN 0.695 nan 8.360 nan 0.000 0.506 183 N N 0.469 118.967 118.700 -0.336 0.000 2.376 183 N HA -0.072 4.669 4.740 0.000 0.000 0.177 183 N C 1.891 177.149 175.510 -0.419 0.000 1.024 183 N CA 0.974 53.789 53.050 -0.392 0.000 0.893 183 N CB 0.199 38.490 38.487 -0.327 0.000 0.980 183 N HN 0.102 nan 8.380 nan 0.000 0.439 184 G N -0.114 108.543 108.800 -0.239 0.000 2.396 184 G HA2 -0.132 3.828 3.960 0.000 0.000 0.214 184 G HA3 -0.132 3.828 3.960 0.000 0.000 0.214 184 G C 0.505 175.442 174.900 0.061 0.000 1.166 184 G CA -0.022 45.083 45.100 0.007 0.000 0.793 184 G HN 0.309 nan 8.290 nan 0.000 0.533 185 F N 2.385 122.208 119.950 -0.212 0.000 2.752 185 F HA 0.408 4.935 4.527 0.000 0.000 0.332 185 F C -0.584 175.139 175.800 -0.128 0.000 1.188 185 F CA -1.950 55.938 58.000 -0.186 0.000 1.296 185 F CB -0.046 38.765 39.000 -0.315 0.000 1.526 185 F HN -0.068 nan 8.300 nan 0.000 0.576 186 D N 0.774 121.091 120.400 -0.138 0.000 2.620 186 D HA 0.098 4.738 4.640 0.000 0.000 0.252 186 D C 0.933 177.291 176.300 0.096 0.000 1.207 186 D CA -0.009 53.943 54.000 -0.079 0.000 0.884 186 D CB 1.769 42.538 40.800 -0.052 0.000 1.262 186 D HN 0.301 nan 8.370 nan 0.000 0.552 187 T N -0.348 114.187 114.554 -0.032 0.000 3.113 187 T HA -0.043 4.307 4.350 0.000 0.000 0.256 187 T C 1.293 176.085 174.700 0.154 0.000 1.131 187 T CA 1.183 63.314 62.100 0.052 0.000 1.074 187 T CB -0.093 68.739 68.868 -0.060 0.000 0.944 187 T HN 0.375 nan 8.240 nan 0.000 0.516 188 T N -1.065 113.582 114.554 0.155 0.000 3.003 188 T HA 0.120 4.470 4.350 0.000 0.000 0.261 188 T C 1.670 176.476 174.700 0.176 0.000 1.003 188 T CA 0.121 62.313 62.100 0.155 0.000 0.917 188 T CB -0.454 68.547 68.868 0.221 0.000 1.084 188 T HN 0.647 nan 8.240 nan 0.000 0.522 189 H N 2.681 121.826 119.070 0.124 0.000 2.524 189 H HA 0.075 4.631 4.556 0.000 0.000 0.282 189 H C 1.887 177.283 175.328 0.114 0.000 1.016 189 H CA 1.025 57.131 56.048 0.097 0.000 1.270 189 H CB -0.586 29.197 29.762 0.034 0.000 1.394 189 H HN 0.653 nan 8.280 nan 0.000 0.568 190 I N -2.137 118.161 120.570 -0.453 0.000 3.010 190 I HA -0.157 4.013 4.170 0.000 0.000 0.271 190 I C 2.190 178.364 176.117 0.095 0.000 1.293 190 I CA 0.670 61.867 61.300 -0.171 0.000 1.452 190 I CB -0.994 37.049 38.000 0.071 0.000 1.082 190 I HN -0.013 nan 8.210 nan 0.000 0.484 191 F N 3.741 123.656 119.950 -0.059 0.000 2.120 191 F HA -0.267 4.260 4.527 0.000 0.000 0.300 191 F C 2.409 178.198 175.800 -0.018 0.000 1.095 191 F CA 2.424 60.429 58.000 0.007 0.000 1.249 191 F CB -0.388 38.579 39.000 -0.055 0.000 0.995 191 F HN 0.245 nan 8.300 nan 0.000 0.480 192 M N -1.065 118.401 119.600 -0.223 0.000 2.539 192 M HA -0.140 4.340 4.480 0.000 0.000 0.261 192 M C 0.977 177.072 176.300 -0.342 0.000 1.069 192 M CA 1.699 56.780 55.300 -0.365 0.000 1.081 192 M CB -0.821 31.582 32.600 -0.329 0.000 1.412 192 M HN 0.112 nan 8.290 nan 0.000 0.482 193 H N 1.459 120.469 119.070 -0.101 0.000 2.539 193 H HA 0.152 4.708 4.556 0.000 0.000 0.269 193 H C 1.899 177.262 175.328 0.058 0.000 0.980 193 H CA 0.906 56.876 56.048 -0.130 0.000 1.152 193 H CB -0.290 29.302 29.762 -0.282 0.000 1.407 193 H HN 0.646 nan 8.280 nan 0.000 0.564 194 R N 1.042 121.671 120.500 0.214 0.000 2.154 194 R HA -0.150 4.190 4.340 0.000 0.000 0.248 194 R C 0.523 176.947 176.300 0.207 0.000 1.155 194 R CA 1.942 58.220 56.100 0.296 0.000 0.979 194 R CB -0.514 29.945 30.300 0.266 0.000 0.869 194 R HN 0.237 nan 8.270 nan 0.000 0.452 195 N N 0.564 119.330 118.700 0.110 0.000 2.230 195 N HA 0.008 4.748 4.740 0.000 0.000 0.202 195 N C -0.544 175.038 175.510 0.120 0.000 1.119 195 N CA -0.199 52.912 53.050 0.101 0.000 0.851 195 N CB 0.859 39.378 38.487 0.053 0.000 0.990 195 N HN 0.149 nan 8.380 nan 0.000 0.497 196 S N 1.976 117.762 115.700 0.144 0.000 2.549 196 S HA 0.079 4.549 4.470 0.000 0.000 0.286 196 S C -1.175 173.551 174.600 0.210 0.000 1.314 196 S CA -1.362 56.940 58.200 0.171 0.000 1.062 196 S CB 0.684 63.983 63.200 0.165 0.000 0.865 196 S HN 0.144 nan 8.310 nan 0.000 0.498 197 P HA -0.087 nan 4.420 nan 0.000 0.228 197 P C 1.274 178.720 177.300 0.243 0.000 1.151 197 P CA 0.781 63.992 63.100 0.185 0.000 0.770 197 P CB -0.120 31.678 31.700 0.163 0.000 0.786 198 W N 0.879 122.249 121.300 0.117 0.000 2.467 198 W HA -0.095 4.565 4.660 0.000 0.000 0.275 198 W C 1.448 177.999 176.519 0.054 0.000 1.239 198 W CA 0.369 57.771 57.345 0.096 0.000 1.266 198 W CB -0.126 29.429 29.460 0.160 0.000 1.112 198 W HN -0.237 nan 8.180 nan 0.000 0.576 199 V N 1.574 121.537 119.914 0.083 0.000 2.233 199 V HA -0.367 3.754 4.120 0.000 0.000 0.247 199 V C 2.630 178.655 176.094 -0.115 0.000 1.050 199 V CA 2.843 65.120 62.300 -0.038 0.000 1.010 199 V CB -1.235 30.661 31.823 0.121 0.000 0.637 199 V HN 0.302 nan 8.190 nan 0.000 0.444 200 S N 0.277 115.950 115.700 -0.046 0.000 2.414 200 S HA -0.001 4.469 4.470 0.000 0.000 0.227 200 S C 2.104 176.619 174.600 -0.143 0.000 1.022 200 S CA 0.982 59.143 58.200 -0.066 0.000 0.958 200 S CB -0.594 62.601 63.200 -0.008 0.000 0.797 200 S HN 0.540 nan 8.310 nan 0.000 0.493 201 G N 2.110 110.816 108.800 -0.157 0.000 2.469 201 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 201 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 201 G C 1.293 175.916 174.900 -0.462 0.000 1.150 201 G CA 1.095 46.072 45.100 -0.205 0.000 0.763 201 G HN 0.610 nan 8.290 nan 0.000 0.561 202 N N -0.460 117.755 118.700 -0.808 0.000 2.275 202 N HA 0.091 4.831 4.740 0.000 0.000 0.236 202 N C 0.392 175.642 175.510 -0.432 0.000 1.154 202 N CA -0.425 52.135 53.050 -0.817 0.000 0.866 202 N CB -0.163 37.405 38.487 -1.531 0.000 1.093 202 N HN 0.191 nan 8.380 nan 0.000 0.515 203 R N 0.047 120.374 120.500 -0.289 0.000 3.405 203 R HA -0.175 4.165 4.340 0.000 0.000 0.258 203 R C -0.670 175.559 176.300 -0.119 0.000 1.030 203 R CA 0.442 56.449 56.100 -0.156 0.000 0.691 203 R CB -2.045 28.188 30.300 -0.111 0.000 1.093 203 R HN 0.343 nan 8.270 nan 0.000 0.448 204 L N 0.415 121.558 121.223 -0.134 0.000 2.371 204 L HA 0.395 4.735 4.340 0.000 0.000 0.272 204 L C 1.049 177.987 176.870 0.113 0.000 1.124 204 L CA -0.296 54.534 54.840 -0.016 0.000 0.816 204 L CB 1.186 43.218 42.059 -0.044 0.000 1.129 204 L HN 0.190 nan 8.230 nan 0.000 0.448 205 A N 4.033 126.956 122.820 0.171 0.000 2.506 205 A HA 0.429 4.749 4.320 0.000 0.000 0.320 205 A C -0.891 176.970 177.584 0.461 0.000 1.424 205 A CA -0.136 52.021 52.037 0.199 0.000 1.044 205 A CB -0.397 18.658 19.000 0.092 0.000 1.140 205 A HN 0.472 nan 8.150 nan 0.000 0.538 206 F N 5.983 126.099 119.950 0.276 0.000 2.427 206 F HA 0.542 5.069 4.527 0.000 0.000 0.348 206 F C -2.148 173.693 175.800 0.068 0.000 1.125 206 F CA -2.368 55.767 58.000 0.226 0.000 0.989 206 F CB 2.136 41.270 39.000 0.223 0.000 1.165 206 F HN 0.398 nan 8.300 nan 0.000 0.442 207 P HA 0.076 nan 4.420 nan 0.000 0.276 207 P C -0.204 176.625 177.300 -0.785 0.000 1.261 207 P CA -0.049 62.334 63.100 -1.194 0.000 0.800 207 P CB 1.141 31.751 31.700 -1.816 0.000 1.066 208 Y N -0.527 119.520 120.300 -0.420 0.000 2.544 208 Y HA 0.325 4.875 4.550 0.000 0.000 0.286 208 Y C 1.719 177.494 175.900 -0.207 0.000 1.141 208 Y CA 0.760 58.782 58.100 -0.129 0.000 1.299 208 Y CB -0.415 38.096 38.460 0.085 0.000 1.030 208 Y HN 0.563 nan 8.280 nan 0.000 0.543 209 G N -1.648 106.943 108.800 -0.348 0.000 2.387 209 G HA2 0.430 4.390 3.960 0.000 0.000 0.294 209 G HA3 0.430 4.390 3.960 0.000 0.000 0.294 209 G C -2.049 172.525 174.900 -0.544 0.000 1.509 209 G CA -0.983 43.932 45.100 -0.308 0.000 0.806 209 G HN -0.141 nan 8.290 nan 0.000 0.546 210 F N 0.229 120.117 119.950 -0.103 0.000 2.493 210 F HA 0.617 5.144 4.527 0.000 0.000 0.329 210 F C 0.218 176.114 175.800 0.161 0.000 1.126 210 F CA -0.819 57.165 58.000 -0.027 0.000 0.937 210 F CB 2.618 41.505 39.000 -0.188 0.000 1.146 210 F HN 0.274 nan 8.300 nan 0.000 0.442 211 V N 4.758 124.865 119.914 0.322 0.000 2.417 211 V HA 0.402 4.522 4.120 0.000 0.000 0.291 211 V C -2.272 173.776 176.094 -0.077 0.000 1.024 211 V CA -2.471 59.899 62.300 0.118 0.000 0.861 211 V CB 1.791 33.619 31.823 0.009 0.000 0.985 211 V HN 0.478 nan 8.190 nan 0.000 0.436 212 P HA 0.050 nan 4.420 nan 0.000 0.261 212 P C 0.255 177.311 177.300 -0.406 0.000 1.183 212 P CA 0.381 62.957 63.100 -0.874 0.000 0.761 212 P CB 0.772 32.098 31.700 -0.623 0.000 0.785 213 A N 3.335 125.951 122.820 -0.339 0.000 2.169 213 A HA 0.189 4.509 4.320 0.000 0.000 0.210 213 A C 0.405 177.913 177.584 -0.126 0.000 1.168 213 A CA 0.930 52.876 52.037 -0.152 0.000 0.813 213 A CB -0.320 18.641 19.000 -0.066 0.000 0.861 213 A HN 0.626 nan 8.150 nan 0.000 0.481 214 D N -3.798 116.506 120.400 -0.160 0.000 2.692 214 D HA 0.263 4.903 4.640 0.000 0.000 0.303 214 D C 0.300 176.527 176.300 -0.121 0.000 1.278 214 D CA -0.756 53.179 54.000 -0.109 0.000 0.852 214 D CB 0.299 41.058 40.800 -0.068 0.000 1.375 214 D HN -0.164 nan 8.370 nan 0.000 0.453 215 R N -0.922 119.528 120.500 -0.083 0.000 2.237 215 R HA -0.012 4.328 4.340 0.000 0.000 0.219 215 R C -0.085 176.173 176.300 -0.069 0.000 1.080 215 R CA 0.925 56.980 56.100 -0.074 0.000 0.995 215 R CB -0.049 30.220 30.300 -0.053 0.000 0.875 215 R HN 0.399 nan 8.270 nan 0.000 0.462 216 D N -0.355 120.009 120.400 -0.060 0.000 2.368 216 D HA 0.087 4.727 4.640 0.000 0.000 0.218 216 D C 1.046 177.329 176.300 -0.028 0.000 1.112 216 D CA 0.219 54.195 54.000 -0.040 0.000 0.834 216 D CB 0.842 41.630 40.800 -0.021 0.000 0.953 216 D HN 0.234 nan 8.370 nan 0.000 0.505 217 A N 0.334 123.109 122.820 -0.075 0.000 1.940 217 A HA -0.083 4.238 4.320 0.000 0.000 0.219 217 A C 1.142 178.780 177.584 0.090 0.000 1.176 217 A CA 0.967 52.963 52.037 -0.068 0.000 0.631 217 A CB -0.111 18.621 19.000 -0.447 0.000 0.814 217 A HN 0.184 nan 8.150 nan 0.000 0.446 218 M N -0.795 118.817 119.600 0.021 0.000 2.311 218 M HA 0.422 4.902 4.480 0.000 0.000 0.325 218 M C -0.579 175.710 176.300 -0.018 0.000 1.061 218 M CA -0.042 55.288 55.300 0.049 0.000 0.957 218 M CB 2.210 34.835 32.600 0.042 0.000 1.646 218 M HN 0.295 nan 8.290 nan 0.000 0.434 219 Q N 2.273 122.047 119.800 -0.044 0.000 2.340 219 Q HA 0.622 4.962 4.340 0.000 0.000 0.268 219 Q C -1.722 174.102 176.000 -0.293 0.000 1.031 219 Q CA -0.685 55.002 55.803 -0.193 0.000 0.804 219 Q CB 2.352 30.932 28.738 -0.263 0.000 1.286 219 Q HN 0.637 nan 8.270 nan 0.000 0.448 220 V N 4.438 124.166 119.914 -0.310 0.000 2.407 220 V HA 0.255 4.375 4.120 0.000 0.000 0.278 220 V C -1.028 174.837 176.094 -0.381 0.000 1.037 220 V CA -0.420 61.719 62.300 -0.269 0.000 0.900 220 V CB 0.601 32.329 31.823 -0.159 0.000 0.983 220 V HN 0.679 nan 8.190 nan 0.000 0.459 221 Y N 2.786 123.018 120.300 -0.113 0.000 2.504 221 Y HA 0.411 4.961 4.550 0.000 0.000 0.339 221 Y C 0.456 176.313 175.900 -0.072 0.000 0.974 221 Y CA -0.719 57.360 58.100 -0.034 0.000 1.232 221 Y CB 1.102 39.618 38.460 0.095 0.000 1.108 221 Y HN 0.677 nan 8.280 nan 0.000 0.509 222 D N 2.014 122.414 120.400 -0.001 0.000 2.819 222 D HA 0.044 4.684 4.640 0.000 0.000 0.326 222 D C -0.580 175.643 176.300 -0.129 0.000 1.408 222 D CA -0.038 53.896 54.000 -0.111 0.000 0.811 222 D CB 0.194 40.915 40.800 -0.131 0.000 1.148 222 D HN 0.567 nan 8.370 nan 0.000 0.457 223 E N 1.212 121.374 120.200 -0.063 0.000 2.149 223 E HA 0.365 4.715 4.350 0.000 0.000 0.255 223 E C -0.272 176.277 176.600 -0.085 0.000 0.888 223 E CA -0.281 56.083 56.400 -0.062 0.000 0.742 223 E CB 0.121 29.827 29.700 0.011 0.000 1.164 223 E HN 0.288 nan 8.360 nan 0.000 0.422 224 N N 1.815 120.403 118.700 -0.187 0.000 4.095 224 N HA -0.259 4.481 4.740 0.000 0.000 0.258 224 N C -1.288 174.017 175.510 -0.343 0.000 0.898 224 N CA 1.144 54.093 53.050 -0.168 0.000 0.984 224 N CB -0.433 38.062 38.487 0.012 0.000 0.928 224 N HN 0.357 nan 8.380 nan 0.000 0.560 225 W N 1.246 122.571 121.300 0.042 0.000 2.864 225 W HA 0.566 5.226 4.660 0.000 0.000 0.343 225 W C -1.946 174.588 176.519 0.025 0.000 1.109 225 W CA -0.941 56.436 57.345 0.053 0.000 1.192 225 W CB 0.459 29.930 29.460 0.019 0.000 1.426 225 W HN 0.317 nan 8.180 nan 0.000 0.529 226 P HA 0.313 nan 4.420 nan 0.000 0.276 226 P C -1.198 176.390 177.300 0.479 0.000 1.252 226 P CA -0.318 63.046 63.100 0.440 0.000 0.802 226 P CB 1.332 33.139 31.700 0.179 0.000 1.035 227 K N 0.264 120.979 120.400 0.526 0.000 2.259 227 K HA 0.764 5.084 4.320 0.000 0.000 0.252 227 K C 0.065 176.854 176.600 0.315 0.000 0.936 227 K CA -0.663 55.792 56.287 0.281 0.000 0.810 227 K CB 2.098 34.514 32.500 -0.140 0.000 1.143 227 K HN 0.800 nan 8.250 nan 0.000 0.427 228 G N 0.194 108.941 108.800 -0.088 0.000 2.428 228 G HA2 0.418 4.378 3.960 0.000 0.000 0.304 228 G HA3 0.418 4.378 3.960 0.000 0.000 0.304 228 G C -1.803 172.748 174.900 -0.581 0.000 1.303 228 G CA -0.606 44.139 45.100 -0.592 0.000 0.825 228 G HN 0.303 nan 8.290 nan 0.000 0.484 229 V N 1.018 120.535 119.914 -0.660 0.000 2.540 229 V HA 0.705 4.825 4.120 0.000 0.000 0.302 229 V C -0.602 175.323 176.094 -0.281 0.000 1.035 229 V CA -0.896 61.209 62.300 -0.325 0.000 0.873 229 V CB 1.680 33.447 31.823 -0.094 0.000 0.992 229 V HN 0.748 nan 8.190 nan 0.000 0.428 230 L N 3.459 124.676 121.223 -0.011 0.000 2.341 230 L HA 0.691 5.031 4.340 0.000 0.000 0.278 230 L C -1.250 175.729 176.870 0.182 0.000 1.005 230 L CA -0.141 54.780 54.840 0.135 0.000 0.818 230 L CB 1.905 44.139 42.059 0.291 0.000 1.259 230 L HN 0.620 nan 8.230 nan 0.000 0.418 231 D N 4.968 125.476 120.400 0.179 0.000 2.329 231 D HA 0.317 4.957 4.640 0.000 0.000 0.232 231 D C 0.148 176.449 176.300 0.001 0.000 1.088 231 D CA -0.101 53.948 54.000 0.082 0.000 0.835 231 D CB 1.247 41.943 40.800 -0.174 0.000 1.078 231 D HN 0.345 nan 8.370 nan 0.000 0.495 232 R N 3.091 123.664 120.500 0.122 0.000 3.701 232 R HA 0.189 4.529 4.340 0.000 0.000 0.210 232 R C 1.292 177.618 176.300 0.042 0.000 1.598 232 R CA -0.162 55.984 56.100 0.077 0.000 1.427 232 R CB 0.130 30.502 30.300 0.121 0.000 1.339 232 R HN 0.408 nan 8.270 nan 0.000 0.720 233 L N 0.244 121.290 121.223 -0.295 0.000 2.043 233 L HA -0.269 4.071 4.340 0.000 0.000 0.212 233 L C 2.345 179.128 176.870 -0.146 0.000 1.075 233 L CA 1.933 56.446 54.840 -0.545 0.000 0.752 233 L CB -0.562 40.856 42.059 -1.069 0.000 0.891 233 L HN 0.471 nan 8.230 nan 0.000 0.432 234 S N -1.459 114.196 115.700 -0.076 0.000 2.489 234 S HA -0.070 4.400 4.470 0.000 0.000 0.228 234 S C 1.475 176.122 174.600 0.079 0.000 0.995 234 S CA 0.691 58.913 58.200 0.036 0.000 0.934 234 S CB 0.004 63.223 63.200 0.031 0.000 0.771 234 S HN 0.543 nan 8.310 nan 0.000 0.522 235 E N 0.579 120.830 120.200 0.085 0.000 2.391 235 E HA 0.195 4.545 4.350 0.000 0.000 0.206 235 E C 0.162 176.822 176.600 0.100 0.000 0.851 235 E CA 0.186 56.638 56.400 0.086 0.000 1.059 235 E CB 0.205 29.946 29.700 0.068 0.000 1.065 235 E HN 0.526 nan 8.360 nan 0.000 0.512 236 N N -0.430 118.360 118.700 0.150 0.000 2.291 236 N HA 0.165 4.905 4.740 0.000 0.000 0.244 236 N C -1.272 174.287 175.510 0.082 0.000 1.216 236 N CA -0.047 53.063 53.050 0.101 0.000 0.879 236 N CB 0.622 39.142 38.487 0.055 0.000 1.167 236 N HN -0.020 nan 8.380 nan 0.000 0.515 237 Y N 0.137 120.448 120.300 0.018 0.000 2.602 237 Y HA 0.561 5.111 4.550 0.000 0.000 0.342 237 Y C -0.516 175.435 175.900 0.086 0.000 1.029 237 Y CA -1.336 56.792 58.100 0.047 0.000 1.080 237 Y CB 1.433 39.934 38.460 0.068 0.000 1.284 237 Y HN -0.103 nan 8.280 nan 0.000 0.485 238 M N 6.016 125.761 119.600 0.241 0.000 2.114 238 M HA 0.521 5.001 4.480 0.000 0.000 0.332 238 M C -2.970 173.392 176.300 0.102 0.000 1.014 238 M CA -2.518 52.867 55.300 0.141 0.000 0.956 238 M CB 1.343 33.979 32.600 0.060 0.000 1.551 238 M HN 0.179 nan 8.290 nan 0.000 0.427 239 P HA 0.248 nan 4.420 nan 0.000 0.282 239 P C -1.273 175.763 177.300 -0.441 0.000 1.249 239 P CA -0.398 62.462 63.100 -0.401 0.000 0.806 239 P CB 1.150 32.565 31.700 -0.474 0.000 0.984 240 V N 4.340 123.900 119.914 -0.590 0.000 2.328 240 V HA 0.196 4.316 4.120 0.000 0.000 0.278 240 V C 0.540 176.324 176.094 -0.516 0.000 1.021 240 V CA 0.002 62.097 62.300 -0.342 0.000 0.838 240 V CB 0.226 31.965 31.823 -0.141 0.000 0.999 240 V HN 0.433 nan 8.190 nan 0.000 0.447 241 F N 1.655 121.504 119.950 -0.167 0.000 2.695 241 F HA 0.365 4.892 4.527 0.000 0.000 0.303 241 F C 1.162 176.852 175.800 -0.183 0.000 1.091 241 F CA -0.026 57.799 58.000 -0.292 0.000 1.300 241 F CB 0.610 39.492 39.000 -0.197 0.000 1.071 241 F HN 0.423 nan 8.300 nan 0.000 0.578 242 E N -0.039 120.276 120.200 0.190 0.000 2.288 242 E HA 0.710 5.060 4.350 0.000 0.000 0.268 242 E C -1.021 175.783 176.600 0.341 0.000 0.885 242 E CA -0.957 55.619 56.400 0.293 0.000 0.767 242 E CB 2.389 32.194 29.700 0.175 0.000 1.220 242 E HN -0.056 nan 8.360 nan 0.000 0.427 243 A N 1.564 124.568 122.820 0.307 0.000 2.304 243 A HA 0.579 4.899 4.320 0.000 0.000 0.314 243 A C -0.337 177.290 177.584 0.072 0.000 1.187 243 A CA -0.608 51.505 52.037 0.126 0.000 0.810 243 A CB 0.931 19.926 19.000 -0.010 0.000 1.183 243 A HN 0.530 nan 8.150 nan 0.000 0.487 244 T N 0.374 114.949 114.554 0.034 0.000 2.885 244 T HA 0.725 5.075 4.350 0.000 0.000 0.285 244 T C -0.681 174.015 174.700 -0.006 0.000 1.019 244 T CA -0.675 61.439 62.100 0.023 0.000 1.010 244 T CB 1.256 70.141 68.868 0.027 0.000 1.022 244 T HN 0.654 nan 8.240 nan 0.000 0.466 245 L N 3.716 124.936 121.223 -0.004 0.000 2.439 245 L HA 0.355 4.695 4.340 0.000 0.000 0.270 245 L C -0.277 176.588 176.870 -0.009 0.000 0.972 245 L CA -0.497 54.333 54.840 -0.016 0.000 0.836 245 L CB 1.452 43.499 42.059 -0.019 0.000 1.255 245 L HN 1.144 nan 8.230 nan 0.000 0.404 246 D N 3.550 123.942 120.400 -0.013 0.000 2.702 246 D HA -0.238 4.402 4.640 0.000 0.000 0.233 246 D C 0.633 176.932 176.300 -0.002 0.000 1.164 246 D CA 1.207 55.202 54.000 -0.008 0.000 0.638 246 D CB -1.192 39.603 40.800 -0.009 0.000 1.041 246 D HN 1.153 nan 8.370 nan 0.000 0.422 247 G N -0.719 108.082 108.800 0.002 0.000 2.175 247 G HA2 -0.279 3.681 3.960 0.000 0.000 0.244 247 G HA3 -0.279 3.681 3.960 0.000 0.000 0.244 247 G C -0.063 174.844 174.900 0.012 0.000 0.982 247 G CA 0.432 45.536 45.100 0.007 0.000 0.641 247 G HN 0.639 nan 8.290 nan 0.000 0.527 248 E N 0.423 120.630 120.200 0.013 0.000 2.222 248 E HA 0.465 4.815 4.350 0.000 0.000 0.267 248 E C -0.660 175.957 176.600 0.028 0.000 0.884 248 E CA -0.615 55.797 56.400 0.019 0.000 0.764 248 E CB 1.464 31.174 29.700 0.016 0.000 1.169 248 E HN 0.070 nan 8.360 nan 0.000 0.413 249 T N 1.710 116.287 114.554 0.038 0.000 2.751 249 T HA 0.057 4.407 4.350 0.000 0.000 0.290 249 T C 1.194 175.928 174.700 0.057 0.000 0.919 249 T CA -0.154 61.979 62.100 0.056 0.000 1.136 249 T CB 0.236 69.144 68.868 0.066 0.000 0.875 249 T HN 0.387 nan 8.240 nan 0.000 0.532 250 V N 1.958 121.906 119.914 0.057 0.000 3.644 250 V HA 0.519 4.639 4.120 0.000 0.000 0.267 250 V C 0.031 176.167 176.094 0.071 0.000 1.277 250 V CA 0.070 62.401 62.300 0.050 0.000 1.096 250 V CB -0.200 31.641 31.823 0.030 0.000 0.828 250 V HN 0.505 nan 8.190 nan 0.000 0.446 251 L N 1.250 122.540 121.223 0.111 0.000 2.545 251 L HA 0.776 5.116 4.340 0.000 0.000 0.258 251 L C -0.756 176.317 176.870 0.338 0.000 0.942 251 L CA 0.157 55.099 54.840 0.171 0.000 0.855 251 L CB 2.334 44.420 42.059 0.046 0.000 1.374 251 L HN 0.404 nan 8.230 nan 0.000 0.411 252 S N 1.753 117.672 115.700 0.366 0.000 2.572 252 S HA 0.952 5.422 4.470 0.000 0.000 0.274 252 S C -0.544 174.198 174.600 0.238 0.000 1.150 252 S CA -0.371 58.016 58.200 0.312 0.000 0.944 252 S CB 1.639 64.940 63.200 0.169 0.000 1.071 252 S HN 0.961 nan 8.310 nan 0.000 0.479 253 A N 1.371 124.218 122.820 0.045 0.000 2.366 253 A HA 0.601 4.921 4.320 0.000 0.000 0.249 253 A C 0.266 177.873 177.584 0.038 0.000 1.084 253 A CA -0.315 51.726 52.037 0.006 0.000 0.794 253 A CB -0.017 18.944 19.000 -0.065 0.000 1.034 253 A HN 0.912 nan 8.150 nan 0.000 0.491 254 E N 0.187 120.416 120.200 0.048 0.000 2.129 254 E HA 0.417 4.767 4.350 0.000 0.000 0.283 254 E C -1.486 175.087 176.600 -0.045 0.000 1.080 254 E CA 0.025 56.433 56.400 0.012 0.000 0.867 254 E CB 0.284 30.001 29.700 0.029 0.000 1.056 254 E HN 0.326 nan 8.360 nan 0.000 0.404 255 L N 4.817 125.983 121.223 -0.096 0.000 2.408 255 L HA 0.356 4.696 4.340 0.000 0.000 0.257 255 L C -0.628 176.179 176.870 -0.105 0.000 1.053 255 L CA -0.078 54.664 54.840 -0.164 0.000 0.922 255 L CB 1.487 43.366 42.059 -0.301 0.000 1.261 255 L HN 0.514 nan 8.230 nan 0.000 0.458 256 T N 1.549 116.059 114.554 -0.073 0.000 3.066 256 T HA 0.586 4.936 4.350 0.000 0.000 0.318 256 T C 0.627 175.300 174.700 -0.045 0.000 0.979 256 T CA 0.409 62.478 62.100 -0.052 0.000 1.025 256 T CB 0.403 69.251 68.868 -0.034 0.000 1.002 256 T HN 0.890 nan 8.240 nan 0.000 0.453 257 G N 4.586 113.359 108.800 -0.045 0.000 2.574 257 G HA2 -0.209 3.752 3.960 0.000 0.000 0.301 257 G HA3 -0.209 3.752 3.960 0.000 0.000 0.301 257 G C -0.253 174.626 174.900 -0.034 0.000 1.166 257 G CA 0.195 45.273 45.100 -0.036 0.000 0.971 257 G HN 0.743 nan 8.290 nan 0.000 0.542 258 E N 3.190 123.373 120.200 -0.028 0.000 1.856 258 E HA 0.327 4.677 4.350 0.000 0.000 0.263 258 E C 0.195 176.778 176.600 -0.029 0.000 1.137 258 E CA 0.226 56.611 56.400 -0.024 0.000 1.007 258 E CB 0.290 29.978 29.700 -0.020 0.000 1.117 258 E HN 0.628 nan 8.360 nan 0.000 0.438 259 E N 1.468 121.652 120.200 -0.028 0.000 2.222 259 E HA 0.343 4.693 4.350 0.000 0.000 0.267 259 E C -0.310 176.285 176.600 -0.009 0.000 0.963 259 E CA -0.826 55.558 56.400 -0.026 0.000 0.837 259 E CB 1.875 31.560 29.700 -0.026 0.000 1.183 259 E HN 0.081 nan 8.360 nan 0.000 0.403 260 K N 1.336 121.730 120.400 -0.010 0.000 2.118 260 K HA 0.292 4.612 4.320 0.000 0.000 0.267 260 K C -0.386 176.250 176.600 0.061 0.000 0.991 260 K CA -0.681 55.612 56.287 0.010 0.000 0.916 260 K CB 0.982 33.470 32.500 -0.020 0.000 1.041 260 K HN 0.087 nan 8.250 nan 0.000 0.455 261 K N 2.158 122.605 120.400 0.078 0.000 2.235 261 K HA 0.304 4.624 4.320 0.000 0.000 0.266 261 K C -0.858 175.829 176.600 0.144 0.000 0.980 261 K CA -0.645 55.722 56.287 0.133 0.000 0.849 261 K CB 1.077 33.646 32.500 0.114 0.000 1.098 261 K HN 0.495 nan 8.250 nan 0.000 0.445 262 V N 0.164 120.215 119.914 0.229 0.000 3.156 262 V HA 0.857 4.977 4.120 0.000 0.000 0.311 262 V C -0.272 175.992 176.094 0.283 0.000 1.208 262 V CA -0.775 61.678 62.300 0.256 0.000 1.063 262 V CB 1.025 33.047 31.823 0.332 0.000 1.098 262 V HN 1.062 nan 8.190 nan 0.000 0.452 263 A N -0.447 122.527 122.820 0.256 0.000 2.362 263 A HA 0.022 4.342 4.320 0.000 0.000 0.290 263 A C 1.427 178.964 177.584 -0.079 0.000 1.441 263 A CA 1.448 53.529 52.037 0.074 0.000 0.743 263 A CB -1.731 17.321 19.000 0.086 0.000 1.125 263 A HN 2.543 nan 8.150 nan 0.000 0.378 264 A N -0.460 122.340 122.820 -0.033 0.000 2.016 264 A HA 0.299 4.619 4.320 0.000 0.000 0.217 264 A C 0.996 178.504 177.584 -0.127 0.000 1.162 264 A CA 1.763 53.764 52.037 -0.059 0.000 0.662 264 A CB 0.117 19.119 19.000 0.002 0.000 0.812 264 A HN 0.933 nan 8.150 nan 0.000 0.450 265 Q N -1.691 118.044 119.800 -0.109 0.000 2.377 265 Q HA 0.565 4.905 4.340 0.000 0.000 0.279 265 Q C -1.868 174.088 176.000 -0.073 0.000 1.049 265 Q CA -0.440 55.306 55.803 -0.094 0.000 0.825 265 Q CB 2.752 31.494 28.738 0.006 0.000 1.401 265 Q HN 0.147 nan 8.270 nan 0.000 0.404 266 V N 1.302 121.183 119.914 -0.054 0.000 2.760 266 V HA 0.871 4.991 4.120 0.000 0.000 0.309 266 V C -1.542 174.678 176.094 0.211 0.000 1.077 266 V CA -0.131 62.194 62.300 0.043 0.000 0.910 266 V CB 2.083 33.893 31.823 -0.021 0.000 1.008 266 V HN 0.913 nan 8.190 nan 0.000 0.424 267 S N 4.669 120.486 115.700 0.195 0.000 2.579 267 S HA 0.826 5.296 4.470 0.000 0.000 0.272 267 S C -1.330 173.087 174.600 -0.305 0.000 1.141 267 S CA -0.648 57.553 58.200 0.000 0.000 0.843 267 S CB 1.662 64.948 63.200 0.143 0.000 1.122 267 S HN 1.465 nan 8.310 nan 0.000 0.468 268 V N 1.816 121.155 119.914 -0.959 0.000 2.656 268 V HA 0.848 4.968 4.120 0.000 0.000 0.307 268 V C -2.146 173.441 176.094 -0.845 0.000 1.051 268 V CA -0.532 61.258 62.300 -0.850 0.000 0.893 268 V CB 1.431 32.425 31.823 -1.382 0.000 0.999 268 V HN 0.965 nan 8.190 nan 0.000 0.426 269 W N 4.574 125.760 121.300 -0.190 0.000 2.844 269 W HA 0.684 5.345 4.660 0.000 0.000 0.340 269 W C -0.407 176.193 176.519 0.134 0.000 1.093 269 W CA -0.827 56.526 57.345 0.015 0.000 1.212 269 W CB 1.422 30.887 29.460 0.008 0.000 1.422 269 W HN 0.441 nan 8.180 nan 0.000 0.515 270 L N 4.645 126.149 121.223 0.470 0.000 2.483 270 L HA 0.044 4.384 4.340 0.000 0.000 0.276 270 L C -0.823 176.162 176.870 0.192 0.000 1.213 270 L CA -0.991 54.074 54.840 0.374 0.000 0.843 270 L CB 0.637 42.899 42.059 0.340 0.000 1.107 270 L HN 0.246 nan 8.230 nan 0.000 0.487 271 P HA 0.055 nan 4.420 nan 0.000 0.249 271 P C 0.366 177.976 177.300 0.516 0.000 1.241 271 P CA 0.554 63.661 63.100 0.011 0.000 0.781 271 P CB 0.526 32.055 31.700 -0.286 0.000 1.088 272 G N -0.930 108.131 108.800 0.435 0.000 2.423 272 G HA2 0.095 4.055 3.960 0.000 0.000 0.234 272 G HA3 0.095 4.055 3.960 0.000 0.000 0.234 272 G C -1.072 173.969 174.900 0.235 0.000 2.480 272 G CA -0.677 44.647 45.100 0.373 0.000 0.953 272 G HN 0.057 nan 8.290 nan 0.000 0.575 273 V N 1.448 121.392 119.914 0.050 0.000 2.531 273 V HA 0.709 4.829 4.120 0.000 0.000 0.301 273 V C 0.238 176.330 176.094 -0.002 0.000 1.034 273 V CA -0.997 61.230 62.300 -0.121 0.000 0.865 273 V CB 1.759 33.358 31.823 -0.374 0.000 0.995 273 V HN 0.579 nan 8.190 nan 0.000 0.424 274 L N 4.263 125.515 121.223 0.049 0.000 2.399 274 L HA 0.615 4.955 4.340 0.000 0.000 0.266 274 L C -0.059 176.912 176.870 0.168 0.000 1.114 274 L CA 0.241 55.152 54.840 0.119 0.000 0.804 274 L CB 1.146 43.340 42.059 0.225 0.000 1.146 274 L HN 0.723 nan 8.230 nan 0.000 0.451 275 K N 3.170 123.667 120.400 0.161 0.000 2.601 275 K HA 0.527 4.847 4.320 0.000 0.000 0.249 275 K C -2.062 174.542 176.600 0.006 0.000 0.966 275 K CA -0.600 55.720 56.287 0.056 0.000 0.827 275 K CB 1.502 34.124 32.500 0.203 0.000 1.178 275 K HN 0.421 nan 8.250 nan 0.000 0.437 276 V N 3.349 123.215 119.914 -0.081 0.000 2.357 276 V HA 0.285 4.405 4.120 0.000 0.000 0.284 276 V C -0.721 175.346 176.094 -0.045 0.000 1.018 276 V CA -0.707 61.564 62.300 -0.049 0.000 0.841 276 V CB 1.316 33.088 31.823 -0.085 0.000 0.991 276 V HN 0.713 nan 8.190 nan 0.000 0.437 277 D N 7.065 127.451 120.400 -0.022 0.000 2.462 277 D HA 0.496 5.136 4.640 0.000 0.000 0.245 277 D C -2.766 173.544 176.300 0.017 0.000 1.122 277 D CA -1.620 52.369 54.000 -0.017 0.000 0.864 277 D CB 3.061 43.848 40.800 -0.021 0.000 1.098 277 D HN 0.296 nan 8.370 nan 0.000 0.541 278 P HA 0.589 nan 4.420 nan 0.000 0.285 278 P C -1.126 176.271 177.300 0.161 0.000 1.280 278 P CA -0.693 62.428 63.100 0.034 0.000 0.862 278 P CB 1.786 33.483 31.700 -0.005 0.000 1.153 279 F N 0.836 120.718 119.950 -0.113 0.000 2.740 279 F HA 0.246 4.773 4.527 0.000 0.000 0.312 279 F C -2.328 173.371 175.800 -0.168 0.000 1.121 279 F CA -1.405 56.531 58.000 -0.106 0.000 0.977 279 F CB 1.923 40.872 39.000 -0.084 0.000 1.265 279 F HN 0.134 nan 8.300 nan 0.000 0.443 280 P HA 0.111 nan 4.420 nan 0.000 0.255 280 P C -0.862 176.130 177.300 -0.514 0.000 1.301 280 P CA 0.810 63.088 63.100 -1.370 0.000 0.817 280 P CB 0.308 31.379 31.700 -1.047 0.000 1.259 281 D N -1.023 119.156 120.400 -0.368 0.000 2.596 281 D HA 0.301 4.941 4.640 0.000 0.000 0.234 281 D C -2.112 174.100 176.300 -0.146 0.000 1.181 281 D CA -2.261 51.629 54.000 -0.184 0.000 0.856 281 D CB 1.860 42.507 40.800 -0.256 0.000 1.498 281 D HN -0.383 nan 8.370 nan 0.000 0.446 282 P HA -0.091 nan 4.420 nan 0.000 0.218 282 P C 0.803 178.063 177.300 -0.066 0.000 1.148 282 P CA 1.477 64.557 63.100 -0.034 0.000 0.822 282 P CB 0.013 31.712 31.700 -0.001 0.000 0.784 283 T N -4.251 110.248 114.554 -0.091 0.000 3.252 283 T HA 0.219 4.569 4.350 0.000 0.000 0.250 283 T C 0.395 174.964 174.700 -0.219 0.000 1.123 283 T CA 0.179 62.210 62.100 -0.115 0.000 1.006 283 T CB -0.752 68.082 68.868 -0.056 0.000 0.992 283 T HN -0.073 nan 8.240 nan 0.000 0.547 284 L N 0.034 121.106 121.223 -0.252 0.000 2.376 284 L HA 0.679 5.019 4.340 0.000 0.000 0.258 284 L C -0.841 175.911 176.870 -0.197 0.000 1.013 284 L CA -1.478 53.184 54.840 -0.297 0.000 0.822 284 L CB 2.469 44.252 42.059 -0.459 0.000 1.388 284 L HN 0.037 nan 8.230 nan 0.000 0.413 285 I N 1.173 121.629 120.570 -0.190 0.000 2.509 285 I HA 0.353 4.523 4.170 0.000 0.000 0.293 285 I C -0.757 175.214 176.117 -0.244 0.000 1.020 285 I CA -0.447 60.723 61.300 -0.217 0.000 1.088 285 I CB 2.305 40.138 38.000 -0.277 0.000 1.267 285 I HN 0.587 nan 8.210 nan 0.000 0.430 286 Q N 5.021 124.694 119.800 -0.212 0.000 2.322 286 Q HA 0.460 4.800 4.340 0.000 0.000 0.265 286 Q C -1.937 173.948 176.000 -0.193 0.000 0.985 286 Q CA -0.549 55.207 55.803 -0.079 0.000 0.849 286 Q CB 1.521 30.350 28.738 0.152 0.000 1.274 286 Q HN 0.465 nan 8.270 nan 0.000 0.449 287 Y N 1.425 121.843 120.300 0.196 0.000 2.446 287 Y HA 0.455 5.005 4.550 0.000 0.000 0.338 287 Y C -0.284 175.717 175.900 0.168 0.000 1.055 287 Y CA -0.696 57.512 58.100 0.181 0.000 1.101 287 Y CB 1.973 40.642 38.460 0.350 0.000 1.221 287 Y HN 0.524 nan 8.280 nan 0.000 0.460 288 E N 2.454 122.742 120.200 0.147 0.000 2.292 288 E HA 0.480 4.830 4.350 0.000 0.000 0.272 288 E C -1.785 174.620 176.600 -0.325 0.000 0.881 288 E CA -0.752 55.679 56.400 0.052 0.000 0.754 288 E CB 2.294 32.074 29.700 0.133 0.000 1.201 288 E HN 0.341 nan 8.360 nan 0.000 0.425 289 F N 0.890 120.723 119.950 -0.195 0.000 2.561 289 F HA 0.431 4.958 4.527 0.000 0.000 0.321 289 F C -0.537 175.139 175.800 -0.207 0.000 1.065 289 F CA -0.787 57.135 58.000 -0.130 0.000 0.934 289 F CB 1.155 40.102 39.000 -0.088 0.000 1.215 289 F HN 0.378 nan 8.300 nan 0.000 0.471 290 Y N 1.193 121.836 120.300 0.571 0.000 2.535 290 Y HA 0.439 4.989 4.550 0.000 0.000 0.351 290 Y C -0.643 175.521 175.900 0.441 0.000 1.050 290 Y CA -1.072 57.354 58.100 0.544 0.000 1.168 290 Y CB 0.491 39.128 38.460 0.295 0.000 1.116 290 Y HN 0.177 nan 8.280 nan 0.000 0.654 291 V N 3.428 123.635 119.914 0.488 0.000 2.479 291 V HA 0.154 4.274 4.120 0.000 0.000 0.281 291 V C -2.113 174.077 176.094 0.160 0.000 1.031 291 V CA -1.914 60.495 62.300 0.183 0.000 1.038 291 V CB 0.521 32.425 31.823 0.136 0.000 0.981 291 V HN 0.315 nan 8.190 nan 0.000 0.478 292 P HA 0.197 nan 4.420 nan 0.000 0.265 292 P C 0.533 177.844 177.300 0.019 0.000 1.193 292 P CA 0.300 63.401 63.100 0.001 0.000 0.765 292 P CB 0.802 32.320 31.700 -0.304 0.000 0.823 293 I N 0.456 121.090 120.570 0.105 0.000 2.899 293 I HA 0.004 4.174 4.170 0.000 0.000 0.257 293 I C 1.225 177.370 176.117 0.047 0.000 1.115 293 I CA 0.904 62.242 61.300 0.064 0.000 1.451 293 I CB 0.135 38.186 38.000 0.086 0.000 1.251 293 I HN 0.426 nan 8.210 nan 0.000 0.456 294 S N -0.738 115.012 115.700 0.084 0.000 2.911 294 S HA 0.341 4.811 4.470 0.000 0.000 0.319 294 S C 0.273 174.939 174.600 0.111 0.000 1.154 294 S CA -0.595 57.649 58.200 0.072 0.000 0.857 294 S CB 1.361 64.601 63.200 0.066 0.000 1.279 294 S HN -0.008 nan 8.310 nan 0.000 0.593 295 E N 1.030 121.290 120.200 0.100 0.000 2.274 295 E HA 0.057 4.407 4.350 0.000 0.000 0.194 295 E C 1.354 178.047 176.600 0.155 0.000 0.996 295 E CA 1.475 57.949 56.400 0.124 0.000 0.840 295 E CB -0.124 29.630 29.700 0.090 0.000 0.772 295 E HN 0.797 nan 8.360 nan 0.000 0.491 296 T N -3.123 111.517 114.554 0.143 0.000 3.145 296 T HA 0.280 4.630 4.350 0.000 0.000 0.281 296 T C 0.242 175.047 174.700 0.175 0.000 1.003 296 T CA -0.521 61.670 62.100 0.152 0.000 0.901 296 T CB 0.221 69.157 68.868 0.113 0.000 1.112 296 T HN -0.125 nan 8.240 nan 0.000 0.535 297 Q N 1.229 121.149 119.800 0.200 0.000 2.416 297 Q HA 0.505 4.845 4.340 0.000 0.000 0.281 297 Q C -1.209 174.972 176.000 0.301 0.000 1.067 297 Q CA -1.134 54.788 55.803 0.198 0.000 0.809 297 Q CB 2.188 30.993 28.738 0.113 0.000 1.418 297 Q HN 0.641 nan 8.270 nan 0.000 0.411 298 H N -0.859 118.329 119.070 0.196 0.000 3.008 298 H HA 0.528 5.084 4.556 0.000 0.000 0.354 298 H C -1.465 174.007 175.328 0.241 0.000 1.252 298 H CA -0.944 55.251 56.048 0.245 0.000 1.117 298 H CB 2.007 31.991 29.762 0.369 0.000 1.857 298 H HN 0.596 nan 8.280 nan 0.000 0.547 299 E N 1.434 121.845 120.200 0.351 0.000 2.109 299 E HA 0.182 4.532 4.350 0.000 0.000 0.278 299 E C -1.684 175.198 176.600 0.471 0.000 0.954 299 E CA -0.696 55.852 56.400 0.248 0.000 0.779 299 E CB 0.413 30.245 29.700 0.220 0.000 1.093 299 E HN 0.420 nan 8.360 nan 0.000 0.401 300 Y N 6.140 126.538 120.300 0.163 0.000 2.425 300 Y HA 0.378 4.928 4.550 0.000 0.000 0.347 300 Y C -1.537 174.442 175.900 0.131 0.000 0.976 300 Y CA -1.303 56.942 58.100 0.243 0.000 1.190 300 Y CB -0.023 38.559 38.460 0.204 0.000 1.136 300 Y HN 0.403 nan 8.280 nan 0.000 0.517 301 F N 4.355 124.336 119.950 0.051 0.000 2.421 301 F HA 0.498 5.025 4.527 0.000 0.000 0.337 301 F C -0.174 175.578 175.800 -0.081 0.000 1.105 301 F CA -0.559 57.442 58.000 0.001 0.000 1.049 301 F CB 1.606 40.643 39.000 0.062 0.000 1.139 301 F HN 0.361 nan 8.300 nan 0.000 0.479 302 Q N 2.605 122.458 119.800 0.089 0.000 2.309 302 Q HA 0.657 4.997 4.340 0.000 0.000 0.270 302 Q C -1.496 174.687 176.000 0.304 0.000 1.023 302 Q CA -0.739 55.113 55.803 0.082 0.000 0.758 302 Q CB 2.811 31.461 28.738 -0.146 0.000 1.247 302 Q HN 0.411 nan 8.270 nan 0.000 0.455 303 V N 3.960 124.123 119.914 0.415 0.000 2.483 303 V HA 0.451 4.571 4.120 0.000 0.000 0.297 303 V C -0.497 175.815 176.094 0.363 0.000 1.027 303 V CA -0.737 61.819 62.300 0.427 0.000 0.855 303 V CB 1.550 33.731 31.823 0.597 0.000 0.995 303 V HN 0.666 nan 8.190 nan 0.000 0.424 304 L N 4.287 125.667 121.223 0.261 0.000 2.289 304 L HA 0.610 4.950 4.340 0.000 0.000 0.285 304 L C -0.066 176.936 176.870 0.220 0.000 1.049 304 L CA -0.256 54.721 54.840 0.229 0.000 0.804 304 L CB 1.595 43.830 42.059 0.293 0.000 1.195 304 L HN 0.702 nan 8.230 nan 0.000 0.428 305 Q N 3.517 123.358 119.800 0.069 0.000 2.331 305 Q HA 0.480 4.820 4.340 0.000 0.000 0.267 305 Q C -1.017 174.814 176.000 -0.282 0.000 1.006 305 Q CA -0.897 54.880 55.803 -0.044 0.000 0.818 305 Q CB 1.967 30.758 28.738 0.087 0.000 1.276 305 Q HN 0.483 nan 8.270 nan 0.000 0.450 306 R N 2.927 123.126 120.500 -0.503 0.000 2.534 306 R HA 0.348 4.688 4.340 0.000 0.000 0.301 306 R C -1.522 174.580 176.300 -0.329 0.000 0.961 306 R CA -0.597 55.121 56.100 -0.636 0.000 0.871 306 R CB 1.325 30.760 30.300 -1.441 0.000 1.170 306 R HN 0.542 nan 8.270 nan 0.000 0.446 307 K N 3.510 123.779 120.400 -0.218 0.000 2.368 307 K HA 0.360 4.680 4.320 0.000 0.000 0.282 307 K C -0.654 175.887 176.600 -0.099 0.000 1.035 307 K CA -0.383 55.831 56.287 -0.121 0.000 0.973 307 K CB 0.590 33.037 32.500 -0.087 0.000 0.957 307 K HN 0.508 nan 8.250 nan 0.000 0.474 308 V N 0.803 120.686 119.914 -0.053 0.000 2.962 308 V HA 0.450 4.570 4.120 0.000 0.000 0.313 308 V C -0.441 175.644 176.094 -0.014 0.000 1.099 308 V CA -0.702 61.582 62.300 -0.027 0.000 0.971 308 V CB 1.934 33.755 31.823 -0.004 0.000 1.028 308 V HN 0.776 nan 8.190 nan 0.000 0.430 309 E N 1.664 121.859 120.200 -0.009 0.000 2.511 309 E HA 0.578 4.928 4.350 0.000 0.000 0.209 309 E C 0.552 177.150 176.600 -0.004 0.000 0.986 309 E CA 1.016 57.412 56.400 -0.006 0.000 0.974 309 E CB 1.154 30.851 29.700 -0.005 0.000 1.030 309 E HN 1.261 nan 8.360 nan 0.000 0.490 310 G N -0.308 108.490 108.800 -0.005 0.000 2.441 310 G HA2 0.190 4.150 3.960 0.000 0.000 0.294 310 G HA3 0.190 4.150 3.960 0.000 0.000 0.294 310 G C -2.313 172.578 174.900 -0.014 0.000 1.393 310 G CA -0.728 44.369 45.100 -0.006 0.000 0.796 310 G HN -0.255 nan 8.290 nan 0.000 0.494 311 P HA -0.118 nan 4.420 nan 0.000 0.218 311 P C 1.104 178.389 177.300 -0.025 0.000 1.146 311 P CA 1.379 64.463 63.100 -0.028 0.000 0.813 311 P CB 0.456 32.146 31.700 -0.017 0.000 0.778 312 E N 0.606 120.800 120.200 -0.009 0.000 2.072 312 E HA -0.142 4.208 4.350 0.000 0.000 0.190 312 E C 1.721 178.329 176.600 0.014 0.000 0.982 312 E CA 1.272 57.673 56.400 0.002 0.000 0.803 312 E CB -0.856 28.848 29.700 0.007 0.000 0.755 312 E HN 0.086 nan 8.360 nan 0.000 0.453 313 D N -0.444 119.964 120.400 0.014 0.000 2.144 313 D HA -0.116 4.524 4.640 0.000 0.000 0.199 313 D C 1.991 178.325 176.300 0.056 0.000 0.984 313 D CA 1.026 55.047 54.000 0.035 0.000 0.834 313 D CB -0.122 40.688 40.800 0.016 0.000 0.955 313 D HN 0.107 nan 8.370 nan 0.000 0.465 314 V N 0.919 120.827 119.914 -0.011 0.000 2.287 314 V HA -0.250 3.870 4.120 0.000 0.000 0.248 314 V C 2.346 178.424 176.094 -0.026 0.000 1.053 314 V CA 1.548 63.788 62.300 -0.100 0.000 1.027 314 V CB -0.306 31.335 31.823 -0.304 0.000 0.646 314 V HN 0.030 nan 8.190 nan 0.000 0.447 315 K N 0.196 120.586 120.400 -0.016 0.000 2.057 315 K HA -0.116 4.204 4.320 0.000 0.000 0.207 315 K C 2.235 178.871 176.600 0.059 0.000 1.049 315 K CA 1.821 58.113 56.287 0.008 0.000 0.931 315 K CB -1.064 31.437 32.500 0.002 0.000 0.714 315 K HN 0.502 nan 8.250 nan 0.000 0.440 316 T N 0.722 115.332 114.554 0.092 0.000 2.788 316 T HA -0.114 4.236 4.350 0.000 0.000 0.268 316 T C 1.428 176.273 174.700 0.242 0.000 1.044 316 T CA 1.135 63.313 62.100 0.130 0.000 1.139 316 T CB -0.350 68.590 68.868 0.120 0.000 0.867 316 T HN 0.136 nan 8.240 nan 0.000 0.454 317 F N 2.350 122.361 119.950 0.101 0.000 2.113 317 F HA -0.023 4.504 4.527 0.000 0.000 0.297 317 F C 2.149 178.081 175.800 0.221 0.000 1.103 317 F CA 1.130 59.245 58.000 0.192 0.000 1.248 317 F CB -0.670 38.416 39.000 0.143 0.000 0.999 317 F HN 0.216 nan 8.300 nan 0.000 0.475 318 E N -0.265 119.935 120.200 -0.001 0.000 2.118 318 E HA -0.192 4.158 4.350 0.000 0.000 0.195 318 E C 2.339 178.951 176.600 0.019 0.000 0.992 318 E CA 1.627 57.966 56.400 -0.102 0.000 0.804 318 E CB -0.446 29.224 29.700 -0.051 0.000 0.741 318 E HN 0.309 nan 8.360 nan 0.000 0.458 319 V N 2.242 122.185 119.914 0.049 0.000 2.307 319 V HA -0.257 3.863 4.120 0.000 0.000 0.245 319 V C 2.294 178.395 176.094 0.012 0.000 1.045 319 V CA 2.272 64.591 62.300 0.031 0.000 1.024 319 V CB -0.649 31.189 31.823 0.025 0.000 0.651 319 V HN 0.382 nan 8.190 nan 0.000 0.449 320 E N -0.355 119.871 120.200 0.044 0.000 2.208 320 E HA -0.235 4.115 4.350 0.000 0.000 0.193 320 E C 2.141 178.645 176.600 -0.160 0.000 0.988 320 E CA 1.275 57.601 56.400 -0.123 0.000 0.828 320 E CB -0.468 29.154 29.700 -0.130 0.000 0.763 320 E HN 0.550 nan 8.360 nan 0.000 0.478 321 F N 2.605 122.534 119.950 -0.034 0.000 2.102 321 F HA -0.151 4.376 4.527 0.000 0.000 0.298 321 F C 2.348 178.105 175.800 -0.072 0.000 1.105 321 F CA 1.967 59.974 58.000 0.012 0.000 1.239 321 F CB -0.035 38.822 39.000 -0.239 0.000 0.991 321 F HN -0.032 nan 8.300 nan 0.000 0.474 322 E N 0.513 120.716 120.200 0.005 0.000 2.072 322 E HA -0.194 4.156 4.350 0.000 0.000 0.191 322 E C 1.856 178.375 176.600 -0.134 0.000 0.985 322 E CA 1.974 58.331 56.400 -0.070 0.000 0.801 322 E CB -0.361 29.344 29.700 0.008 0.000 0.750 322 E HN 0.615 nan 8.360 nan 0.000 0.452 323 E N -0.852 119.266 120.200 -0.137 0.000 2.385 323 E HA 0.065 4.415 4.350 0.000 0.000 0.194 323 E C 1.887 178.367 176.600 -0.200 0.000 1.013 323 E CA 0.294 56.607 56.400 -0.145 0.000 0.866 323 E CB 0.442 30.068 29.700 -0.124 0.000 0.832 323 E HN 0.093 nan 8.360 nan 0.000 0.500 324 R N -0.738 119.580 120.500 -0.303 0.000 4.528 324 R HA 0.049 4.389 4.340 0.000 0.000 0.121 324 R C 1.202 177.316 176.300 -0.310 0.000 0.727 324 R CA 0.038 55.930 56.100 -0.347 0.000 0.977 324 R CB -0.474 29.485 30.300 -0.568 0.000 1.506 324 R HN 0.050 nan 8.270 nan 0.000 0.428 325 W N 1.970 123.148 121.300 -0.202 0.000 2.302 325 W HA -0.191 4.469 4.660 0.000 0.000 0.320 325 W C 2.421 178.610 176.519 -0.551 0.000 1.241 325 W CA 1.257 58.397 57.345 -0.341 0.000 1.264 325 W CB -0.303 29.102 29.460 -0.093 0.000 1.154 325 W HN 0.240 nan 8.180 nan 0.000 0.483 326 R N 0.667 120.814 120.500 -0.589 0.000 2.082 326 R HA -0.189 4.151 4.340 0.000 0.000 0.234 326 R C 1.698 177.819 176.300 -0.299 0.000 1.136 326 R CA 2.381 58.064 56.100 -0.696 0.000 0.935 326 R CB -0.563 29.131 30.300 -1.010 0.000 0.842 326 R HN 0.086 nan 8.270 nan 0.000 0.430 327 D N -0.007 120.286 120.400 -0.177 0.000 2.183 327 D HA -0.080 4.560 4.640 0.000 0.000 0.205 327 D C 1.414 177.700 176.300 -0.024 0.000 0.962 327 D CA 0.890 54.892 54.000 0.004 0.000 0.849 327 D CB -0.264 40.523 40.800 -0.022 0.000 0.978 327 D HN 0.252 nan 8.370 nan 0.000 0.488 328 D N 0.133 120.463 120.400 -0.117 0.000 2.183 328 D HA 0.018 4.658 4.640 0.000 0.000 0.203 328 D C 1.671 177.763 176.300 -0.346 0.000 0.969 328 D CA 0.905 54.858 54.000 -0.079 0.000 0.842 328 D CB 0.263 41.101 40.800 0.063 0.000 0.957 328 D HN 0.169 nan 8.370 nan 0.000 0.484 329 A N -0.150 122.285 122.820 -0.642 0.000 2.042 329 A HA 0.182 4.502 4.320 0.000 0.000 0.207 329 A C 2.071 179.484 177.584 -0.286 0.000 1.598 329 A CA -0.190 51.353 52.037 -0.823 0.000 0.818 329 A CB -0.533 17.663 19.000 -1.339 0.000 1.169 329 A HN 0.062 nan 8.150 nan 0.000 0.548 330 L N -0.272 120.791 121.223 -0.267 0.000 2.189 330 L HA -0.205 4.135 4.340 0.000 0.000 0.214 330 L C 2.442 179.170 176.870 -0.237 0.000 1.097 330 L CA 1.289 56.003 54.840 -0.210 0.000 0.764 330 L CB -0.615 41.266 42.059 -0.296 0.000 0.900 330 L HN 0.503 nan 8.230 nan 0.000 0.436 331 H N -1.245 117.813 119.070 -0.020 0.000 2.367 331 H HA 0.122 4.678 4.556 0.000 0.000 0.304 331 H C 2.211 177.578 175.328 0.066 0.000 1.023 331 H CA 1.022 57.091 56.048 0.035 0.000 1.342 331 H CB -0.458 29.305 29.762 0.001 0.000 1.486 331 H HN 0.183 nan 8.280 nan 0.000 0.596 332 G N 0.113 109.013 108.800 0.167 0.000 2.475 332 G HA2 -0.273 3.687 3.960 0.000 0.000 0.220 332 G HA3 -0.273 3.687 3.960 0.000 0.000 0.220 332 G C 1.504 176.530 174.900 0.210 0.000 1.125 332 G CA 0.943 46.145 45.100 0.170 0.000 0.755 332 G HN 0.328 nan 8.290 nan 0.000 0.565 333 F N 0.552 120.513 119.950 0.019 0.000 2.399 333 F HA 0.273 4.800 4.527 0.000 0.000 0.282 333 F C 2.236 178.057 175.800 0.036 0.000 1.027 333 F CA 0.641 58.658 58.000 0.029 0.000 1.333 333 F CB 0.088 39.058 39.000 -0.051 0.000 1.132 333 F HN 0.095 nan 8.300 nan 0.000 0.590 334 N N 0.199 119.039 118.700 0.234 0.000 2.446 334 N HA -0.117 4.623 4.740 0.000 0.000 0.179 334 N C 0.973 176.619 175.510 0.227 0.000 1.054 334 N CA 0.702 53.898 53.050 0.244 0.000 0.905 334 N CB -0.060 38.662 38.487 0.391 0.000 0.973 334 N HN 0.159 nan 8.380 nan 0.000 0.448 335 D N 1.248 121.777 120.400 0.216 0.000 2.133 335 D HA -0.175 4.465 4.640 0.000 0.000 0.195 335 D C 1.158 177.562 176.300 0.174 0.000 0.997 335 D CA 1.099 55.245 54.000 0.243 0.000 0.840 335 D CB -0.232 40.729 40.800 0.267 0.000 0.947 335 D HN 0.249 nan 8.370 nan 0.000 0.452 336 D N 0.605 121.070 120.400 0.109 0.000 2.218 336 D HA -0.121 4.520 4.640 0.000 0.000 0.204 336 D C 1.390 177.359 176.300 -0.552 0.000 0.976 336 D CA 0.641 54.527 54.000 -0.188 0.000 0.853 336 D CB -0.164 40.580 40.800 -0.093 0.000 0.939 336 D HN 0.260 nan 8.370 nan 0.000 0.481 337 D N 0.118 120.438 120.400 -0.134 0.000 2.218 337 D HA -0.089 4.551 4.640 0.000 0.000 0.204 337 D C 2.221 178.405 176.300 -0.193 0.000 0.976 337 D CA 0.242 54.159 54.000 -0.139 0.000 0.853 337 D CB 0.219 41.053 40.800 0.058 0.000 0.939 337 D HN 0.109 nan 8.370 nan 0.000 0.481 338 V N 1.706 121.564 119.914 -0.094 0.000 2.237 338 V HA -0.194 3.926 4.120 0.000 0.000 0.245 338 V C 2.463 178.589 176.094 0.053 0.000 1.046 338 V CA 1.698 64.005 62.300 0.012 0.000 1.007 338 V CB -0.825 31.083 31.823 0.142 0.000 0.638 338 V HN 0.435 nan 8.190 nan 0.000 0.445 339 W N 0.852 122.191 121.300 0.064 0.000 2.465 339 W HA 0.067 4.727 4.660 0.000 0.000 0.268 339 W C 2.172 178.716 176.519 0.042 0.000 1.242 339 W CA 0.885 58.259 57.345 0.049 0.000 1.248 339 W CB -1.024 28.460 29.460 0.041 0.000 1.118 339 W HN 0.267 nan 8.180 nan 0.000 0.587 340 A N 2.128 124.703 122.820 -0.408 0.000 1.902 340 A HA -0.167 4.153 4.320 0.000 0.000 0.217 340 A C 2.237 179.771 177.584 -0.084 0.000 1.181 340 A CA 1.847 53.669 52.037 -0.358 0.000 0.623 340 A CB -0.790 17.879 19.000 -0.551 0.000 0.818 340 A HN 0.307 nan 8.150 nan 0.000 0.443 341 R N -0.221 120.238 120.500 -0.068 0.000 2.066 341 R HA -0.114 4.226 4.340 0.000 0.000 0.232 341 R C 2.081 178.427 176.300 0.077 0.000 1.131 341 R CA 1.610 57.709 56.100 -0.001 0.000 0.955 341 R CB -0.383 29.943 30.300 0.044 0.000 0.851 341 R HN 0.672 nan 8.270 nan 0.000 0.432 342 E N 0.592 120.863 120.200 0.118 0.000 2.204 342 E HA -0.149 4.201 4.350 0.000 0.000 0.195 342 E C 1.810 178.501 176.600 0.153 0.000 0.990 342 E CA 0.975 57.462 56.400 0.144 0.000 0.821 342 E CB -0.071 29.725 29.700 0.160 0.000 0.750 342 E HN 0.366 nan 8.360 nan 0.000 0.477 343 A N 0.906 123.832 122.820 0.177 0.000 2.168 343 A HA -0.163 4.157 4.320 0.000 0.000 0.215 343 A C 1.838 179.507 177.584 0.141 0.000 1.152 343 A CA 0.918 53.059 52.037 0.173 0.000 0.716 343 A CB -0.080 19.061 19.000 0.235 0.000 0.794 343 A HN 0.173 nan 8.150 nan 0.000 0.465 344 Q N -1.677 118.212 119.800 0.148 0.000 2.396 344 Q HA -0.037 4.303 4.340 0.000 0.000 0.209 344 Q C 1.942 178.091 176.000 0.247 0.000 0.906 344 Q CA 0.518 56.453 55.803 0.220 0.000 0.927 344 Q CB 0.072 28.930 28.738 0.200 0.000 1.069 344 Q HN 0.619 nan 8.270 nan 0.000 0.523 345 Q N 2.108 122.008 119.800 0.166 0.000 2.077 345 Q HA -0.262 4.078 4.340 0.000 0.000 0.206 345 Q C 1.720 177.802 176.000 0.136 0.000 0.989 345 Q CA 2.050 57.941 55.803 0.146 0.000 0.853 345 Q CB -0.067 28.747 28.738 0.127 0.000 0.907 345 Q HN 0.446 nan 8.270 nan 0.000 0.418 346 E N -1.372 118.905 120.200 0.128 0.000 2.031 346 E HA -0.198 4.152 4.350 0.000 0.000 0.193 346 E C 1.816 178.478 176.600 0.102 0.000 0.994 346 E CA 1.145 57.608 56.400 0.104 0.000 0.800 346 E CB -0.409 29.348 29.700 0.094 0.000 0.752 346 E HN 0.429 nan 8.360 nan 0.000 0.447 347 F N 0.519 120.432 119.950 -0.062 0.000 2.043 347 F HA -0.263 4.264 4.527 0.000 0.000 0.297 347 F C 1.877 177.496 175.800 -0.302 0.000 1.121 347 F CA 1.848 59.730 58.000 -0.197 0.000 1.199 347 F CB -0.748 38.084 39.000 -0.279 0.000 0.968 347 F HN 0.108 nan 8.300 nan 0.000 0.478 348 Y N -0.237 119.875 120.300 -0.315 0.000 2.286 348 Y HA 0.080 4.630 4.550 0.000 0.000 0.293 348 Y C 2.693 178.425 175.900 -0.280 0.000 1.124 348 Y CA 1.286 59.015 58.100 -0.619 0.000 1.178 348 Y CB -1.073 36.934 38.460 -0.754 0.000 1.010 348 Y HN 0.130 nan 8.280 nan 0.000 0.536 349 G N -0.729 108.105 108.800 0.057 0.000 2.453 349 G HA2 -0.088 3.873 3.960 0.000 0.000 0.215 349 G HA3 -0.088 3.873 3.960 0.000 0.000 0.215 349 G C 1.272 176.210 174.900 0.063 0.000 1.147 349 G CA 0.731 45.894 45.100 0.104 0.000 0.802 349 G HN 0.413 nan 8.290 nan 0.000 0.535 350 E N -0.888 119.322 120.200 0.017 0.000 2.441 350 E HA 0.175 4.525 4.350 0.000 0.000 0.212 350 E C 1.390 177.974 176.600 -0.026 0.000 0.840 350 E CA -0.229 56.178 56.400 0.012 0.000 1.143 350 E CB 0.640 30.358 29.700 0.029 0.000 1.153 350 E HN 0.145 nan 8.360 nan 0.000 0.539 351 R N 1.581 122.025 120.500 -0.094 0.000 2.696 351 R HA 0.070 4.410 4.340 0.000 0.000 0.355 351 R C -0.688 175.449 176.300 -0.271 0.000 1.138 351 R CA -0.049 55.973 56.100 -0.129 0.000 1.059 351 R CB 0.173 30.446 30.300 -0.045 0.000 1.380 351 R HN -0.005 nan 8.270 nan 0.000 0.578 352 D N 0.146 120.410 120.400 -0.226 0.000 2.701 352 D HA -0.164 4.476 4.640 0.000 0.000 0.235 352 D C 1.173 177.178 176.300 -0.492 0.000 1.155 352 D CA 1.013 54.893 54.000 -0.200 0.000 0.649 352 D CB -0.850 39.899 40.800 -0.084 0.000 1.050 352 D HN 0.525 nan 8.370 nan 0.000 0.425 353 G N -0.934 107.218 108.800 -1.079 0.000 2.462 353 G HA2 -0.236 3.724 3.960 0.000 0.000 0.220 353 G HA3 -0.236 3.724 3.960 0.000 0.000 0.220 353 G C 1.340 175.658 174.900 -0.970 0.000 1.121 353 G CA 0.846 44.724 45.100 -2.036 0.000 0.758 353 G HN 0.561 nan 8.290 nan 0.000 0.559 354 W N 1.313 122.502 121.300 -0.185 0.000 2.364 354 W HA -0.041 4.619 4.660 0.000 0.000 0.281 354 W C 2.872 179.468 176.519 0.128 0.000 1.219 354 W CA 1.263 58.710 57.345 0.170 0.000 1.220 354 W CB 0.019 29.606 29.460 0.212 0.000 1.127 354 W HN 0.326 nan 8.180 nan 0.000 0.556 355 S N -1.248 114.553 115.700 0.169 0.000 2.523 355 S HA 0.177 4.647 4.470 0.000 0.000 0.217 355 S C 1.269 175.908 174.600 0.065 0.000 0.996 355 S CA -0.161 58.116 58.200 0.129 0.000 0.921 355 S CB 0.034 63.284 63.200 0.084 0.000 0.829 355 S HN 0.208 nan 8.310 nan 0.000 0.495 356 K N 1.490 121.879 120.400 -0.019 0.000 2.354 356 K HA 0.147 4.467 4.320 0.000 0.000 0.194 356 K C 0.388 177.100 176.600 0.186 0.000 1.045 356 K CA 0.055 56.376 56.287 0.057 0.000 1.026 356 K CB 0.241 32.764 32.500 0.038 0.000 0.866 356 K HN 0.708 nan 8.250 nan 0.000 0.530 357 E N 1.848 122.162 120.200 0.190 0.000 2.459 357 E HA -0.092 4.258 4.350 0.000 0.000 0.264 357 E C -0.659 176.059 176.600 0.198 0.000 1.055 357 E CA 0.384 56.945 56.400 0.268 0.000 0.957 357 E CB 0.305 30.195 29.700 0.317 0.000 0.952 357 E HN 0.021 nan 8.360 nan 0.000 0.448 358 Q N 2.272 122.164 119.800 0.153 0.000 2.394 358 Q HA 0.321 4.661 4.340 0.000 0.000 0.261 358 Q C -0.670 175.414 176.000 0.141 0.000 1.023 358 Q CA -0.342 55.535 55.803 0.122 0.000 0.720 358 Q CB 1.325 30.100 28.738 0.061 0.000 1.241 358 Q HN 0.489 nan 8.270 nan 0.000 0.483 359 L N 2.276 123.618 121.223 0.197 0.000 2.468 359 L HA 0.562 4.903 4.340 0.000 0.000 0.254 359 L C -0.089 176.978 176.870 0.329 0.000 1.171 359 L CA -0.736 54.264 54.840 0.266 0.000 0.809 359 L CB 0.194 42.394 42.059 0.235 0.000 1.155 359 L HN 0.460 nan 8.230 nan 0.000 0.473 360 F N -1.761 118.211 119.950 0.036 0.000 2.629 360 F HA 0.585 5.113 4.527 0.000 0.000 0.316 360 F C -2.404 173.404 175.800 0.013 0.000 1.081 360 F CA -2.868 55.143 58.000 0.018 0.000 0.954 360 F CB -0.145 38.856 39.000 0.002 0.000 1.337 360 F HN 0.127 nan 8.300 nan 0.000 0.474 361 P HA -0.201 nan 4.420 nan 0.000 0.225 361 P C -1.552 175.519 177.300 -0.383 0.000 1.154 361 P CA 3.192 66.148 63.100 -0.239 0.000 0.933 361 P CB -1.158 30.439 31.700 -0.172 0.000 0.790 362 P HA -0.121 nan 4.420 nan 0.000 0.221 362 P C 0.831 177.927 177.300 -0.340 0.000 1.145 362 P CA 1.354 64.156 63.100 -0.496 0.000 0.795 362 P CB -0.462 30.854 31.700 -0.639 0.000 0.775 363 D N -1.581 118.620 120.400 -0.331 0.000 2.371 363 D HA -0.047 4.593 4.640 0.000 0.000 0.221 363 D C 1.687 177.935 176.300 -0.086 0.000 0.986 363 D CA 0.666 54.594 54.000 -0.122 0.000 0.899 363 D CB -0.282 40.534 40.800 0.028 0.000 0.902 363 D HN 0.112 nan 8.370 nan 0.000 0.530 364 M N 0.611 120.152 119.600 -0.098 0.000 2.267 364 M HA -0.137 4.343 4.480 0.000 0.000 0.263 364 M C 2.509 178.789 176.300 -0.033 0.000 1.063 364 M CA 0.772 56.041 55.300 -0.052 0.000 1.090 364 M CB -1.426 31.138 32.600 -0.059 0.000 1.392 364 M HN 0.290 nan 8.290 nan 0.000 0.422 365 C N -1.143 118.117 119.300 -0.067 0.000 2.435 365 C HA -0.044 4.416 4.460 0.000 0.000 0.279 365 C C 2.584 177.675 174.990 0.170 0.000 1.321 365 C CA 0.017 59.033 59.018 -0.003 0.000 1.752 365 C CB -1.543 26.022 27.740 -0.291 0.000 1.959 365 C HN 0.476 nan 8.230 nan 0.000 0.500 366 I N 1.320 121.916 120.570 0.043 0.000 2.353 366 I HA -0.109 4.061 4.170 0.000 0.000 0.248 366 I C 2.751 178.862 176.117 -0.010 0.000 1.119 366 I CA 1.138 62.527 61.300 0.147 0.000 1.417 366 I CB -0.293 37.732 38.000 0.042 0.000 1.078 366 I HN 0.195 nan 8.210 nan 0.000 0.421 367 V N 1.034 120.881 119.914 -0.112 0.000 2.343 367 V HA -0.274 3.846 4.120 0.000 0.000 0.247 367 V C 2.380 178.363 176.094 -0.185 0.000 1.051 367 V CA 1.788 63.925 62.300 -0.271 0.000 1.036 367 V CB -0.652 31.130 31.823 -0.069 0.000 0.654 367 V HN 0.389 nan 8.190 nan 0.000 0.451 368 K N -0.609 119.770 120.400 -0.036 0.000 2.097 368 K HA -0.205 4.115 4.320 0.000 0.000 0.205 368 K C 2.068 178.637 176.600 -0.052 0.000 1.050 368 K CA 1.797 58.075 56.287 -0.016 0.000 0.938 368 K CB -0.293 32.227 32.500 0.033 0.000 0.718 368 K HN 0.748 nan 8.250 nan 0.000 0.442 369 W N 2.486 123.686 121.300 -0.166 0.000 2.381 369 W HA -0.168 4.492 4.660 0.000 0.000 0.301 369 W C 1.410 177.693 176.519 -0.394 0.000 1.205 369 W CA 1.105 58.300 57.345 -0.250 0.000 1.285 369 W CB -0.171 29.160 29.460 -0.216 0.000 1.133 369 W HN -0.039 nan 8.180 nan 0.000 0.521 370 R N 0.156 120.015 120.500 -1.068 0.000 2.081 370 R HA -0.120 4.220 4.340 0.000 0.000 0.235 370 R C 2.395 178.232 176.300 -0.771 0.000 1.131 370 R CA 2.454 57.617 56.100 -1.561 0.000 0.960 370 R CB -0.899 28.375 30.300 -1.709 0.000 0.856 370 R HN 0.091 nan 8.270 nan 0.000 0.436 371 T N 1.750 116.084 114.554 -0.367 0.000 2.708 371 T HA -0.133 4.217 4.350 0.000 0.000 0.266 371 T C 1.747 176.351 174.700 -0.160 0.000 1.037 371 T CA 1.164 63.221 62.100 -0.071 0.000 1.146 371 T CB -0.239 68.645 68.868 0.027 0.000 0.865 371 T HN 0.090 nan 8.240 nan 0.000 0.435 372 L N 1.252 122.331 121.223 -0.241 0.000 2.083 372 L HA 0.075 4.415 4.340 0.000 0.000 0.209 372 L C 2.546 179.236 176.870 -0.301 0.000 1.083 372 L CA 1.807 56.514 54.840 -0.222 0.000 0.752 372 L CB -0.864 41.087 42.059 -0.181 0.000 0.899 372 L HN 0.222 nan 8.230 nan 0.000 0.433 373 A N -1.714 120.784 122.820 -0.536 0.000 1.898 373 A HA -0.186 4.134 4.320 0.000 0.000 0.216 373 A C 2.508 179.924 177.584 -0.280 0.000 1.181 373 A CA 1.682 53.367 52.037 -0.587 0.000 0.620 373 A CB -1.057 17.388 19.000 -0.925 0.000 0.819 373 A HN 0.509 nan 8.150 nan 0.000 0.442 374 S N -0.324 115.332 115.700 -0.073 0.000 2.382 374 S HA -0.181 4.289 4.470 0.000 0.000 0.228 374 S C 1.795 176.424 174.600 0.049 0.000 1.027 374 S CA 1.723 60.004 58.200 0.135 0.000 0.991 374 S CB -0.320 62.989 63.200 0.182 0.000 0.823 374 S HN 0.684 nan 8.310 nan 0.000 0.469 375 E N -0.376 119.806 120.200 -0.031 0.000 2.230 375 E HA 0.092 4.442 4.350 0.000 0.000 0.192 375 E C 1.911 178.489 176.600 -0.038 0.000 0.987 375 E CA 0.386 56.770 56.400 -0.027 0.000 0.841 375 E CB 0.146 29.819 29.700 -0.045 0.000 0.783 375 E HN 0.281 nan 8.360 nan 0.000 0.481 376 R N 0.411 120.859 120.500 -0.088 0.000 2.404 376 R HA 0.152 4.492 4.340 0.000 0.000 0.237 376 R C 0.738 177.068 176.300 0.050 0.000 0.907 376 R CA 0.170 56.260 56.100 -0.016 0.000 1.063 376 R CB 0.276 30.524 30.300 -0.087 0.000 1.134 376 R HN -0.020 nan 8.270 nan 0.000 0.529 377 G N 1.330 109.963 108.800 -0.278 0.000 2.202 377 G HA2 -0.077 3.884 3.960 0.000 0.000 0.251 377 G HA3 -0.077 3.884 3.960 0.000 0.000 0.251 377 G C 0.723 175.666 174.900 0.071 0.000 1.219 377 G CA -0.217 44.576 45.100 -0.511 0.000 0.943 377 G HN 0.184 nan 8.290 nan 0.000 0.465 378 R N 1.785 122.444 120.500 0.266 0.000 2.120 378 R HA 0.010 4.351 4.340 0.000 0.000 0.234 378 R C 1.371 177.736 176.300 0.108 0.000 1.123 378 R CA 1.235 57.370 56.100 0.059 0.000 0.975 378 R CB 0.165 30.278 30.300 -0.311 0.000 0.866 378 R HN 0.586 nan 8.270 nan 0.000 0.446 379 G N -0.748 108.190 108.800 0.231 0.000 2.746 379 G HA2 0.445 4.406 3.960 0.000 0.000 0.297 379 G HA3 0.445 4.406 3.960 0.000 0.000 0.297 379 G C -1.554 173.544 174.900 0.329 0.000 1.426 379 G CA -0.591 44.636 45.100 0.212 0.000 0.989 379 G HN -0.088 nan 8.290 nan 0.000 0.520 380 V N 1.450 121.497 119.914 0.222 0.000 2.427 380 V HA 0.613 4.733 4.120 0.000 0.000 0.286 380 V C 0.314 176.431 176.094 0.039 0.000 1.034 380 V CA -0.721 61.664 62.300 0.142 0.000 0.893 380 V CB 1.516 33.412 31.823 0.123 0.000 0.982 380 V HN 0.748 nan 8.190 nan 0.000 0.452 381 R N 3.588 124.069 120.500 -0.031 0.000 2.388 381 R HA 0.725 5.065 4.340 0.000 0.000 0.314 381 R C -0.203 176.065 176.300 -0.054 0.000 0.959 381 R CA -0.191 55.886 56.100 -0.039 0.000 0.851 381 R CB 1.274 31.539 30.300 -0.059 0.000 1.168 381 R HN 0.860 nan 8.270 nan 0.000 0.472 382 A N 0.000 122.803 122.820 -0.029 0.000 2.254 382 A HA 0.000 4.320 4.320 0.000 0.000 0.244 382 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 382 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 382 A HN 0.000 nan 8.150 nan 0.000 0.486