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_I 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 0.000 174.324 174.600 -0.460 0.000 1.055 16 S CA 0.000 58.077 58.200 -0.206 0.000 1.107 16 S CB 0.000 63.124 63.200 -0.126 0.000 0.593 17 A N 0.619 123.186 122.820 -0.422 0.000 1.854 17 A HA 0.069 4.389 4.320 -0.000 0.000 0.214 17 A C 1.967 179.112 177.584 -0.731 0.000 1.192 17 A CA 1.417 52.991 52.037 -0.773 0.000 0.611 17 A CB -1.116 17.847 19.000 -0.062 0.000 0.832 17 A HN 0.663 nan 8.150 nan 0.000 0.442 18 Q N -0.488 119.117 119.800 -0.325 0.000 2.439 18 Q HA -0.063 4.277 4.340 -0.000 0.000 0.211 18 Q C 1.861 177.732 176.000 -0.215 0.000 0.978 18 Q CA 1.255 56.931 55.803 -0.211 0.000 0.897 18 Q CB -0.316 28.358 28.738 -0.107 0.000 0.956 18 Q HN 0.513 nan 8.270 nan 0.000 0.483 19 V N -0.698 119.046 119.914 -0.283 0.000 3.263 19 V HA -0.019 4.101 4.120 -0.000 0.000 0.248 19 V C 1.862 177.811 176.094 -0.242 0.000 1.145 19 V CA 1.045 63.219 62.300 -0.210 0.000 1.107 19 V CB 0.266 31.988 31.823 -0.169 0.000 0.797 19 V HN 0.049 nan 8.190 nan 0.000 0.467 20 K N 0.211 120.346 120.400 -0.443 0.000 2.168 20 K HA 0.055 4.375 4.320 -0.000 0.000 0.201 20 K C 0.476 177.006 176.600 -0.116 0.000 1.049 20 K CA 1.332 57.403 56.287 -0.361 0.000 0.974 20 K CB 0.079 32.191 32.500 -0.647 0.000 0.792 20 K HN 0.722 nan 8.250 nan 0.000 0.463 21 W N -0.227 121.060 121.300 -0.022 0.000 1.290 21 W HA 0.448 5.108 4.660 -0.000 0.000 0.304 21 W C -2.431 174.097 176.519 0.015 0.000 0.858 21 W CA -1.949 55.381 57.345 -0.024 0.000 1.894 21 W CB -0.040 29.371 29.460 -0.083 0.000 1.934 21 W HN -0.135 nan 8.180 nan 0.000 0.472 22 P HA -0.240 nan 4.420 nan 0.000 0.215 22 P C 1.389 178.753 177.300 0.106 0.000 1.157 22 P CA 2.027 65.153 63.100 0.043 0.000 0.868 22 P CB 0.357 32.056 31.700 -0.002 0.000 0.788 23 R N -1.665 118.930 120.500 0.159 0.000 2.152 23 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 23 R C 2.547 179.021 176.300 0.290 0.000 1.117 23 R CA 1.062 57.288 56.100 0.210 0.000 0.981 23 R CB -0.900 29.541 30.300 0.235 0.000 0.870 23 R HN 0.278 nan 8.270 nan 0.000 0.451 24 Y N 1.306 121.705 120.300 0.165 0.000 2.263 24 Y HA -0.053 4.497 4.550 -0.000 0.000 0.292 24 Y C 1.896 177.689 175.900 -0.179 0.000 1.130 24 Y CA 1.111 59.249 58.100 0.063 0.000 1.179 24 Y CB -0.066 38.376 38.460 -0.030 0.000 0.998 24 Y HN -0.088 nan 8.280 nan 0.000 0.532 25 L N -0.280 120.874 121.223 -0.115 0.000 2.217 25 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 25 L C 1.951 178.651 176.870 -0.284 0.000 1.107 25 L CA 1.289 55.894 54.840 -0.392 0.000 0.783 25 L CB -0.409 41.528 42.059 -0.203 0.000 0.919 25 L HN 0.258 nan 8.230 nan 0.000 0.442 26 E N 0.704 120.828 120.200 -0.126 0.000 2.216 26 E HA -0.014 4.336 4.350 -0.000 0.000 0.192 26 E C 1.315 177.869 176.600 -0.077 0.000 0.988 26 E CA 0.538 56.899 56.400 -0.065 0.000 0.834 26 E CB 0.027 29.730 29.700 0.006 0.000 0.772 26 E HN 0.359 nan 8.360 nan 0.000 0.479 27 A N 1.667 124.403 122.820 -0.139 0.000 3.029 27 A HA 0.048 4.368 4.320 -0.000 0.000 0.251 27 A C 1.276 178.830 177.584 -0.049 0.000 1.749 27 A CA 0.101 52.034 52.037 -0.173 0.000 1.386 27 A CB -0.769 17.909 19.000 -0.536 0.000 1.043 27 A HN 0.037 nan 8.150 nan 0.000 0.638 28 T N 0.136 114.682 114.554 -0.014 0.000 2.833 28 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 28 T C 1.239 176.058 174.700 0.198 0.000 1.054 28 T CA 1.269 63.417 62.100 0.081 0.000 1.135 28 T CB -0.121 68.776 68.868 0.049 0.000 0.869 28 T HN 0.367 nan 8.240 nan 0.000 0.466 29 L N 0.507 121.769 121.223 0.065 0.000 2.741 29 L HA 0.462 4.802 4.340 -0.000 0.000 0.237 29 L C 0.992 177.714 176.870 -0.247 0.000 1.178 29 L CA 0.430 55.255 54.840 -0.024 0.000 0.973 29 L CB -0.836 41.205 42.059 -0.030 0.000 1.255 29 L HN 0.402 nan 8.230 nan 0.000 0.498 30 G N -1.383 107.204 108.800 -0.356 0.000 2.710 30 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.668 30 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.668 30 G C -0.734 173.877 174.900 -0.482 0.000 1.320 30 G CA -0.768 43.797 45.100 -0.893 0.000 0.860 30 G HN -0.095 nan 8.290 nan 0.000 0.538 31 F N 2.387 122.207 119.950 -0.217 0.000 2.405 31 F HA 0.458 4.985 4.527 -0.000 0.000 0.355 31 F C 0.913 176.819 175.800 0.177 0.000 1.121 31 F CA -0.516 57.532 58.000 0.079 0.000 1.112 31 F CB 1.389 40.500 39.000 0.185 0.000 1.126 31 F HN 0.658 nan 8.300 nan 0.000 0.481 32 D N 1.390 121.964 120.400 0.290 0.000 2.529 32 D HA 0.207 4.847 4.640 -0.000 0.000 0.273 32 D C -0.023 176.266 176.300 -0.018 0.000 1.197 32 D CA -0.591 53.477 54.000 0.114 0.000 1.070 32 D CB 0.462 41.268 40.800 0.010 0.000 1.134 32 D HN 0.423 nan 8.370 nan 0.000 0.590 33 N N -0.646 117.875 118.700 -0.298 0.000 2.780 33 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 33 N C -1.167 173.920 175.510 -0.705 0.000 1.102 33 N CA 0.626 53.407 53.050 -0.449 0.000 0.697 33 N CB -1.406 36.993 38.487 -0.147 0.000 1.028 33 N HN 0.534 nan 8.380 nan 0.000 0.554 34 H N -1.874 116.714 119.070 -0.803 0.000 2.980 34 H HA 0.263 4.819 4.556 -0.000 0.000 0.367 34 H C -0.322 174.510 175.328 -0.827 0.000 1.206 34 H CA -0.397 55.315 56.048 -0.561 0.000 1.126 34 H CB 0.654 30.225 29.762 -0.320 0.000 1.838 34 H HN 0.032 nan 8.280 nan 0.000 0.552 35 W N 1.879 123.003 121.300 -0.294 0.000 2.272 35 W HA 0.296 4.956 4.660 -0.000 0.000 0.318 35 W C 0.364 176.670 176.519 -0.354 0.000 1.255 35 W CA 0.175 57.400 57.345 -0.200 0.000 1.200 35 W CB 0.633 30.014 29.460 -0.133 0.000 1.170 35 W HN 0.323 nan 8.180 nan 0.000 0.549 36 H N 2.997 122.239 119.070 0.286 0.000 2.771 36 H HA 0.250 4.806 4.556 -0.000 0.000 0.361 36 H C -2.307 173.043 175.328 0.037 0.000 1.108 36 H CA -1.860 54.271 56.048 0.139 0.000 1.201 36 H CB 2.065 31.822 29.762 -0.008 0.000 1.681 36 H HN 0.048 nan 8.280 nan 0.000 0.534 37 P HA 0.116 nan 4.420 nan 0.000 0.271 37 P C -0.082 176.817 177.300 -0.667 0.000 1.216 37 P CA -0.008 62.481 63.100 -1.017 0.000 0.771 37 P CB 1.411 31.868 31.700 -2.072 0.000 0.864 38 A N 2.767 125.334 122.820 -0.421 0.000 2.070 38 A HA 0.639 4.959 4.320 -0.000 0.000 0.202 38 A C 0.799 178.401 177.584 0.031 0.000 1.277 38 A CA 1.078 53.057 52.037 -0.097 0.000 0.872 38 A CB -0.023 18.927 19.000 -0.083 0.000 0.933 38 A HN 0.737 nan 8.150 nan 0.000 0.475 39 A N -1.887 120.850 122.820 -0.139 0.000 2.483 39 A HA 0.600 4.920 4.320 -0.000 0.000 0.294 39 A C -1.783 175.591 177.584 -0.350 0.000 1.077 39 A CA -0.668 51.297 52.037 -0.120 0.000 0.633 39 A CB -0.189 18.803 19.000 -0.015 0.000 1.318 39 A HN 0.269 nan 8.150 nan 0.000 0.455 40 F N 0.777 120.742 119.950 0.026 0.000 2.399 40 F HA 0.370 4.897 4.527 -0.000 0.000 0.334 40 F C 1.415 177.230 175.800 0.025 0.000 1.097 40 F CA 0.244 58.239 58.000 -0.007 0.000 1.076 40 F CB 1.486 40.480 39.000 -0.011 0.000 1.162 40 F HN 0.855 nan 8.300 nan 0.000 0.495 41 D N 0.711 121.236 120.400 0.207 0.000 2.149 41 D HA -0.250 4.390 4.640 -0.000 0.000 0.194 41 D C 1.724 178.152 176.300 0.213 0.000 1.001 41 D CA 1.928 56.035 54.000 0.179 0.000 0.849 41 D CB -0.046 40.870 40.800 0.194 0.000 0.939 41 D HN 0.551 nan 8.370 nan 0.000 0.449 42 H N -0.090 119.026 119.070 0.076 0.000 2.567 42 H HA 0.104 4.660 4.556 -0.000 0.000 0.276 42 H C 1.357 176.713 175.328 0.047 0.000 1.016 42 H CA 0.657 56.733 56.048 0.046 0.000 1.186 42 H CB -0.021 29.756 29.762 0.025 0.000 1.351 42 H HN 0.419 nan 8.280 nan 0.000 0.605 43 E N -0.160 120.144 120.200 0.173 0.000 2.442 43 E HA 0.093 4.443 4.350 -0.000 0.000 0.195 43 E C -0.258 176.377 176.600 0.059 0.000 1.030 43 E CA 0.130 56.599 56.400 0.115 0.000 0.869 43 E CB 0.481 30.259 29.700 0.130 0.000 0.857 43 E HN 0.311 nan 8.360 nan 0.000 0.505 44 L N 1.251 122.494 121.223 0.034 0.000 2.345 44 L HA 0.432 4.772 4.340 -0.000 0.000 0.274 44 L C -0.402 176.439 176.870 -0.048 0.000 0.999 44 L CA -0.709 54.123 54.840 -0.013 0.000 0.849 44 L CB 1.557 43.606 42.059 -0.017 0.000 1.220 44 L HN -0.068 nan 8.230 nan 0.000 0.422 45 A N 2.162 124.946 122.820 -0.059 0.000 2.269 45 A HA 0.509 4.829 4.320 -0.000 0.000 0.319 45 A C -0.151 177.375 177.584 -0.096 0.000 1.110 45 A CA -0.509 51.485 52.037 -0.072 0.000 0.847 45 A CB 0.857 19.823 19.000 -0.056 0.000 1.161 45 A HN 0.654 nan 8.150 nan 0.000 0.497 46 E N 0.223 120.370 120.200 -0.089 0.000 2.652 46 E HA 0.304 4.654 4.350 -0.000 0.000 0.255 46 E C 1.242 177.761 176.600 -0.136 0.000 0.952 46 E CA 1.791 58.130 56.400 -0.101 0.000 0.947 46 E CB -0.286 29.371 29.700 -0.072 0.000 0.912 46 E HN 1.751 nan 8.360 nan 0.000 0.489 47 G N 3.382 112.059 108.800 -0.204 0.000 2.184 47 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.264 47 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.264 47 G C 0.309 174.945 174.900 -0.439 0.000 0.975 47 G CA 0.459 45.386 45.100 -0.290 0.000 0.642 47 G HN 0.619 nan 8.290 nan 0.000 0.536 48 E N -0.791 119.190 120.200 -0.365 0.000 2.314 48 E HA 0.681 5.031 4.350 -0.000 0.000 0.262 48 E C -0.615 175.698 176.600 -0.479 0.000 1.093 48 E CA -0.798 55.431 56.400 -0.285 0.000 0.908 48 E CB 0.431 30.065 29.700 -0.110 0.000 1.091 48 E HN 0.096 nan 8.360 nan 0.000 0.425 49 F N 0.944 120.904 119.950 0.017 0.000 2.551 49 F HA 0.463 4.990 4.527 -0.000 0.000 0.316 49 F C -0.625 175.194 175.800 0.032 0.000 1.089 49 F CA -0.779 57.238 58.000 0.030 0.000 0.915 49 F CB 2.013 41.037 39.000 0.039 0.000 1.186 49 F HN 0.093 nan 8.300 nan 0.000 0.456 50 V N 2.203 122.257 119.914 0.234 0.000 2.623 50 V HA 0.746 4.866 4.120 -0.000 0.000 0.304 50 V C -0.656 175.516 176.094 0.131 0.000 1.054 50 V CA -0.986 61.399 62.300 0.142 0.000 0.882 50 V CB 1.681 33.558 31.823 0.089 0.000 1.002 50 V HN 0.912 nan 8.190 nan 0.000 0.424 51 A N 4.722 127.602 122.820 0.099 0.000 2.290 51 A HA 0.930 5.250 4.320 -0.000 0.000 0.310 51 A C -0.376 177.234 177.584 0.044 0.000 1.202 51 A CA -0.419 51.663 52.037 0.074 0.000 0.837 51 A CB 1.299 20.335 19.000 0.061 0.000 1.139 51 A HN 1.606 nan 8.150 nan 0.000 0.509 52 V N -0.315 119.615 119.914 0.027 0.000 3.078 52 V HA 0.894 5.014 4.120 -0.000 0.000 0.311 52 V C -0.480 175.607 176.094 -0.011 0.000 1.138 52 V CA -0.525 61.780 62.300 0.010 0.000 1.007 52 V CB 1.751 33.577 31.823 0.006 0.000 1.045 52 V HN 0.713 nan 8.190 nan 0.000 0.432 53 T N 4.663 119.212 114.554 -0.009 0.000 2.815 53 T HA 0.695 5.045 4.350 -0.000 0.000 0.289 53 T C -0.485 174.195 174.700 -0.034 0.000 1.000 53 T CA -0.177 61.910 62.100 -0.021 0.000 0.958 53 T CB 0.911 69.777 68.868 -0.003 0.000 0.944 53 T HN 0.746 nan 8.240 nan 0.000 0.442 54 M N 3.664 123.217 119.600 -0.078 0.000 2.190 54 M HA 0.407 4.887 4.480 -0.000 0.000 0.312 54 M C -0.473 175.745 176.300 -0.136 0.000 0.990 54 M CA -0.893 54.337 55.300 -0.116 0.000 0.927 54 M CB 1.736 34.243 32.600 -0.154 0.000 1.571 54 M HN 0.373 nan 8.290 nan 0.000 0.427 55 L N 3.312 124.435 121.223 -0.166 0.000 3.742 55 L HA -0.273 4.067 4.340 -0.000 0.000 0.431 55 L C 1.082 177.902 176.870 -0.082 0.000 1.220 55 L CA 1.460 56.200 54.840 -0.167 0.000 0.863 55 L CB -2.314 39.612 42.059 -0.222 0.000 1.751 55 L HN 1.214 nan 8.230 nan 0.000 0.922 56 G N -2.296 106.475 108.800 -0.049 0.000 2.225 56 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.254 56 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.254 56 G C 0.278 175.170 174.900 -0.014 0.000 0.988 56 G CA 0.379 45.467 45.100 -0.020 0.000 0.625 56 G HN 0.533 nan 8.290 nan 0.000 0.527 57 E N 0.887 121.072 120.200 -0.025 0.000 2.175 57 E HA 0.445 4.795 4.350 -0.000 0.000 0.278 57 E C -0.160 176.422 176.600 -0.031 0.000 0.969 57 E CA -0.634 55.763 56.400 -0.006 0.000 0.796 57 E CB 1.111 30.828 29.700 0.029 0.000 1.104 57 E HN 0.256 nan 8.360 nan 0.000 0.395 58 K N 2.128 122.523 120.400 -0.009 0.000 2.312 58 K HA 0.298 4.618 4.320 -0.000 0.000 0.287 58 K C -0.666 175.930 176.600 -0.007 0.000 1.062 58 K CA -0.333 55.946 56.287 -0.013 0.000 0.934 58 K CB 1.091 33.585 32.500 -0.010 0.000 1.027 58 K HN 0.190 nan 8.250 nan 0.000 0.478 59 V N 4.259 124.150 119.914 -0.039 0.000 2.628 59 V HA 0.320 4.440 4.120 -0.000 0.000 0.306 59 V C -0.736 175.387 176.094 0.047 0.000 1.045 59 V CA -1.091 61.181 62.300 -0.046 0.000 0.905 59 V CB 1.705 33.382 31.823 -0.244 0.000 0.997 59 V HN 0.546 nan 8.190 nan 0.000 0.436 60 L N 5.774 127.076 121.223 0.133 0.000 2.287 60 L HA 0.636 4.976 4.340 -0.000 0.000 0.287 60 L C -0.772 176.216 176.870 0.196 0.000 1.022 60 L CA 0.210 55.168 54.840 0.196 0.000 0.814 60 L CB 0.990 43.225 42.059 0.293 0.000 1.217 60 L HN 0.536 nan 8.230 nan 0.000 0.420 61 L N 4.525 125.857 121.223 0.182 0.000 2.331 61 L HA 0.790 5.130 4.340 -0.000 0.000 0.275 61 L C 0.091 177.047 176.870 0.143 0.000 1.022 61 L CA -0.438 54.484 54.840 0.136 0.000 0.812 61 L CB 1.952 44.057 42.059 0.077 0.000 1.257 61 L HN 0.671 nan 8.230 nan 0.000 0.435 62 T N 1.215 115.793 114.554 0.041 0.000 2.769 62 T HA 0.369 4.719 4.350 -0.000 0.000 0.306 62 T C -1.572 173.057 174.700 -0.118 0.000 1.400 62 T CA -0.713 61.298 62.100 -0.148 0.000 1.007 62 T CB 1.946 70.623 68.868 -0.318 0.000 1.392 62 T HN 0.645 nan 8.240 nan 0.000 0.500 63 R N 1.603 121.993 120.500 -0.184 0.000 2.360 63 R HA 0.763 5.102 4.340 -0.000 0.000 0.318 63 R C -1.153 175.077 176.300 -0.117 0.000 0.950 63 R CA -0.537 55.497 56.100 -0.111 0.000 0.837 63 R CB 0.904 31.144 30.300 -0.099 0.000 1.165 63 R HN 0.668 nan 8.270 nan 0.000 0.458 64 A N 4.137 126.918 122.820 -0.065 0.000 2.287 64 A HA 0.328 4.648 4.320 -0.000 0.000 0.317 64 A C -0.347 177.220 177.584 -0.028 0.000 1.220 64 A CA -0.630 51.378 52.037 -0.048 0.000 0.835 64 A CB 0.564 19.552 19.000 -0.020 0.000 1.180 64 A HN 0.947 nan 8.150 nan 0.000 0.500 65 K N 1.741 122.124 120.400 -0.029 0.000 3.148 65 K HA -0.252 4.068 4.320 -0.000 0.000 0.267 65 K C 1.093 177.681 176.600 -0.019 0.000 0.996 65 K CA 0.921 57.197 56.287 -0.019 0.000 0.737 65 K CB -1.756 30.739 32.500 -0.008 0.000 1.308 65 K HN 2.257 nan 8.250 nan 0.000 0.470 66 G N -0.403 108.379 108.800 -0.029 0.000 2.267 66 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.257 66 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.257 66 G C -0.117 174.771 174.900 -0.020 0.000 0.998 66 G CA 0.724 45.808 45.100 -0.027 0.000 0.620 66 G HN 0.507 nan 8.290 nan 0.000 0.529 67 E N 0.262 120.454 120.200 -0.013 0.000 2.197 67 E HA 0.514 4.864 4.350 -0.000 0.000 0.281 67 E C -0.022 176.579 176.600 0.000 0.000 0.995 67 E CA -0.782 55.618 56.400 0.000 0.000 0.808 67 E CB 2.428 32.135 29.700 0.011 0.000 1.093 67 E HN 0.097 nan 8.360 nan 0.000 0.394 68 V N 4.705 124.626 119.914 0.012 0.000 2.508 68 V HA 0.090 4.210 4.120 -0.000 0.000 0.281 68 V C 0.155 176.278 176.094 0.048 0.000 1.041 68 V CA -0.040 62.271 62.300 0.018 0.000 1.016 68 V CB 0.377 32.215 31.823 0.024 0.000 0.984 68 V HN 0.526 nan 8.190 nan 0.000 0.478 69 K N 3.588 124.019 120.400 0.052 0.000 2.328 69 K HA 0.866 5.186 4.320 -0.000 0.000 0.246 69 K C -0.550 176.122 176.600 0.118 0.000 0.955 69 K CA -0.600 55.740 56.287 0.088 0.000 0.817 69 K CB 2.463 35.010 32.500 0.078 0.000 1.208 69 K HN 0.666 nan 8.250 nan 0.000 0.432 70 A N 2.573 125.492 122.820 0.165 0.000 2.343 70 A HA 0.759 5.079 4.320 -0.000 0.000 0.308 70 A C -1.047 176.727 177.584 0.315 0.000 1.092 70 A CA -0.741 51.419 52.037 0.205 0.000 0.751 70 A CB 0.736 19.844 19.000 0.180 0.000 1.203 70 A HN 0.762 nan 8.150 nan 0.000 0.452 71 I N 1.530 122.285 120.570 0.308 0.000 2.769 71 I HA 0.692 4.862 4.170 -0.000 0.000 0.298 71 I C 0.401 176.746 176.117 0.379 0.000 1.128 71 I CA -0.955 60.541 61.300 0.326 0.000 1.031 71 I CB 1.995 40.119 38.000 0.207 0.000 1.235 71 I HN 0.855 nan 8.210 nan 0.000 0.423 72 A N 3.827 126.877 122.820 0.384 0.000 2.567 72 A HA 0.001 4.321 4.320 -0.000 0.000 0.240 72 A C 0.013 177.713 177.584 0.194 0.000 1.053 72 A CA 0.284 52.505 52.037 0.308 0.000 0.755 72 A CB -0.172 18.927 19.000 0.165 0.000 0.978 72 A HN 0.705 nan 8.150 nan 0.000 0.507 73 D N 2.002 122.465 120.400 0.105 0.000 2.845 73 D HA 0.422 5.062 4.640 -0.000 0.000 0.235 73 D C 0.264 176.407 176.300 -0.261 0.000 1.158 73 D CA 1.015 55.021 54.000 0.010 0.000 0.990 73 D CB -0.508 40.322 40.800 0.050 0.000 1.094 73 D HN 0.720 nan 8.370 nan 0.000 0.486 74 G N 0.612 109.109 108.800 -0.506 0.000 2.659 74 G HA2 0.262 4.222 3.960 -0.000 0.000 0.291 74 G HA3 0.262 4.222 3.960 -0.000 0.000 0.291 74 G C -0.807 173.696 174.900 -0.662 0.000 1.379 74 G CA -0.664 44.111 45.100 -0.542 0.000 1.254 74 G HN 0.310 nan 8.290 nan 0.000 0.590 75 C N 2.262 121.128 119.300 -0.722 0.000 2.652 75 C HA 0.566 5.026 4.460 -0.000 0.000 0.412 75 C C 2.097 177.041 174.990 -0.077 0.000 1.294 75 C CA 0.513 59.364 59.018 -0.279 0.000 2.127 75 C CB 0.357 28.018 27.740 -0.131 0.000 2.691 75 C HN 1.069 nan 8.230 nan 0.000 0.615 76 A N 2.646 125.562 122.820 0.160 0.000 2.014 76 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 76 A C 2.093 179.687 177.584 0.017 0.000 1.163 76 A CA 1.701 53.845 52.037 0.178 0.000 0.652 76 A CB -0.960 18.311 19.000 0.452 0.000 0.808 76 A HN 1.071 nan 8.150 nan 0.000 0.449 77 H N -0.520 118.251 119.070 -0.498 0.000 2.253 77 H HA 0.033 4.589 4.556 -0.000 0.000 0.299 77 H C 1.195 176.264 175.328 -0.432 0.000 1.064 77 H CA 1.372 56.882 56.048 -0.897 0.000 1.264 77 H CB 0.086 28.844 29.762 -1.674 0.000 1.371 77 H HN 0.343 nan 8.280 nan 0.000 0.493 78 R N -0.802 119.418 120.500 -0.466 0.000 2.600 78 R HA 0.148 4.488 4.340 -0.000 0.000 0.392 78 R C 0.622 176.808 176.300 -0.191 0.000 1.032 78 R CA 0.424 56.302 56.100 -0.370 0.000 1.139 78 R CB 1.471 31.517 30.300 -0.424 0.000 1.400 78 R HN 0.627 nan 8.270 nan 0.000 0.566 79 G N 1.747 110.440 108.800 -0.178 0.000 2.168 79 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 79 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 79 G C 0.430 175.231 174.900 -0.164 0.000 0.997 79 G CA 0.597 45.605 45.100 -0.153 0.000 0.708 79 G HN 0.287 nan 8.290 nan 0.000 0.520 80 V N -2.375 117.429 119.914 -0.183 0.000 2.881 80 V HA 0.696 4.816 4.120 -0.000 0.000 0.303 80 V C -1.683 174.292 176.094 -0.198 0.000 1.070 80 V CA -2.171 60.063 62.300 -0.110 0.000 1.074 80 V CB 1.248 33.029 31.823 -0.070 0.000 1.012 80 V HN 0.070 nan 8.190 nan 0.000 0.482 81 P HA 0.359 nan 4.420 nan 0.000 0.281 81 P C -0.127 177.241 177.300 0.113 0.000 1.252 81 P CA -0.221 62.823 63.100 -0.093 0.000 0.778 81 P CB 0.474 32.174 31.700 0.000 0.000 0.895 82 F N 0.759 120.808 119.950 0.165 0.000 2.234 82 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 82 F C 2.378 178.254 175.800 0.127 0.000 1.087 82 F CA 1.587 59.703 58.000 0.192 0.000 1.340 82 F CB -1.693 37.333 39.000 0.044 0.000 1.031 82 F HN 0.263 nan 8.300 nan 0.000 0.500 83 S N -0.250 115.570 115.700 0.199 0.000 2.465 83 S HA -0.194 4.276 4.470 -0.000 0.000 0.241 83 S C 1.953 176.545 174.600 -0.014 0.000 1.000 83 S CA 0.750 58.985 58.200 0.058 0.000 0.964 83 S CB -0.417 62.814 63.200 0.052 0.000 0.763 83 S HN 0.249 nan 8.310 nan 0.000 0.512 84 K N 1.222 121.611 120.400 -0.018 0.000 2.103 84 K HA 0.044 4.364 4.320 -0.000 0.000 0.207 84 K C 0.971 177.350 176.600 -0.368 0.000 1.048 84 K CA 1.210 57.343 56.287 -0.256 0.000 0.930 84 K CB -0.160 32.054 32.500 -0.476 0.000 0.716 84 K HN 0.725 nan 8.250 nan 0.000 0.444 85 E N 0.196 120.224 120.200 -0.286 0.000 2.850 85 E HA 0.119 4.469 4.350 -0.000 0.000 0.368 85 E C -2.778 173.827 176.600 0.007 0.000 1.116 85 E CA -1.194 55.093 56.400 -0.188 0.000 0.787 85 E CB 1.185 30.702 29.700 -0.304 0.000 1.561 85 E HN -0.117 nan 8.360 nan 0.000 0.381 86 P HA 0.102 nan 4.420 nan 0.000 0.268 86 P C -0.501 176.558 177.300 -0.403 0.000 1.204 86 P CA 0.099 62.900 63.100 -0.498 0.000 0.768 86 P CB 0.957 31.869 31.700 -1.313 0.000 0.842 87 L N 3.139 124.202 121.223 -0.268 0.000 2.381 87 L HA 0.595 4.935 4.340 -0.000 0.000 0.268 87 L C -0.246 176.550 176.870 -0.124 0.000 0.997 87 L CA -0.836 53.898 54.840 -0.177 0.000 0.818 87 L CB 2.448 44.472 42.059 -0.059 0.000 1.310 87 L HN 0.457 nan 8.230 nan 0.000 0.416 88 C N 2.194 121.345 119.300 -0.249 0.000 2.620 88 C HA 0.493 4.953 4.460 -0.000 0.000 0.356 88 C C 0.090 174.880 174.990 -0.333 0.000 1.082 88 C CA -0.414 58.537 59.018 -0.111 0.000 1.293 88 C CB 0.186 28.000 27.740 0.123 0.000 1.836 88 C HN 0.789 nan 8.230 nan 0.000 0.453 89 F N 3.122 123.127 119.950 0.091 0.000 2.653 89 F HA 0.431 4.958 4.527 -0.000 0.000 0.304 89 F C 0.965 176.794 175.800 0.048 0.000 1.092 89 F CA 0.063 58.102 58.000 0.065 0.000 1.279 89 F CB 0.175 39.208 39.000 0.055 0.000 1.044 89 F HN 0.557 nan 8.300 nan 0.000 0.564 90 K N 0.788 121.282 120.400 0.158 0.000 2.610 90 K HA 0.538 4.858 4.320 -0.000 0.000 0.274 90 K C -0.931 175.709 176.600 0.067 0.000 1.049 90 K CA -0.461 55.888 56.287 0.105 0.000 0.945 90 K CB 1.025 33.589 32.500 0.106 0.000 1.313 90 K HN -0.064 nan 8.250 nan 0.000 0.463 91 A N 2.085 124.928 122.820 0.039 0.000 2.567 91 A HA 0.409 4.729 4.320 -0.000 0.000 0.240 91 A C 1.255 178.856 177.584 0.028 0.000 1.053 91 A CA 1.583 53.630 52.037 0.017 0.000 0.755 91 A CB -0.493 18.507 19.000 0.000 0.000 0.978 91 A HN 1.450 nan 8.150 nan 0.000 0.507 92 G N 1.182 110.000 108.800 0.029 0.000 2.179 92 G HA2 0.006 3.966 3.960 -0.000 0.000 0.220 92 G HA3 0.006 3.966 3.960 -0.000 0.000 0.220 92 G C 0.421 175.357 174.900 0.061 0.000 0.990 92 G CA 0.739 45.862 45.100 0.039 0.000 0.646 92 G HN 2.492 nan 8.290 nan 0.000 0.517 93 T N -3.100 111.499 114.554 0.075 0.000 2.841 93 T HA 0.817 5.167 4.350 -0.000 0.000 0.296 93 T C -1.011 173.756 174.700 0.112 0.000 1.166 93 T CA -0.216 61.942 62.100 0.096 0.000 1.007 93 T CB 2.785 71.710 68.868 0.095 0.000 1.253 93 T HN 1.602 nan 8.240 nan 0.000 0.511 94 V N 0.480 120.455 119.914 0.103 0.000 2.888 94 V HA 0.749 4.869 4.120 -0.000 0.000 0.309 94 V C -1.290 174.823 176.094 0.031 0.000 1.114 94 V CA -0.390 61.936 62.300 0.042 0.000 0.940 94 V CB 2.382 34.154 31.823 -0.085 0.000 1.021 94 V HN 1.208 nan 8.190 nan 0.000 0.426 95 S N 4.572 120.300 115.700 0.046 0.000 2.502 95 S HA 0.426 4.896 4.470 -0.000 0.000 0.304 95 S C -0.444 174.239 174.600 0.138 0.000 1.097 95 S CA -0.388 57.907 58.200 0.158 0.000 1.045 95 S CB 1.352 64.767 63.200 0.358 0.000 1.019 95 S HN 1.088 nan 8.310 nan 0.000 0.481 96 C N 5.707 125.148 119.300 0.235 0.000 2.662 96 C HA 0.205 4.665 4.460 -0.000 0.000 0.420 96 C C 1.970 177.077 174.990 0.196 0.000 1.314 96 C CA -0.508 58.680 59.018 0.283 0.000 1.963 96 C CB -0.626 27.332 27.740 0.363 0.000 2.686 96 C HN 1.056 nan 8.230 nan 0.000 0.609 97 W N 4.447 125.914 121.300 0.280 0.000 2.678 97 W HA -0.021 4.639 4.660 -0.000 0.000 0.256 97 W C 1.359 178.011 176.519 0.221 0.000 1.280 97 W CA 0.262 57.727 57.345 0.199 0.000 1.345 97 W CB -1.144 28.379 29.460 0.106 0.000 1.118 97 W HN 0.811 nan 8.180 nan 0.000 0.629 98 Y N 2.134 122.094 120.300 -0.567 0.000 2.159 98 Y HA -0.054 4.496 4.550 -0.000 0.000 0.285 98 Y C 1.482 177.114 175.900 -0.446 0.000 1.106 98 Y CA 1.571 59.309 58.100 -0.604 0.000 1.095 98 Y CB -0.923 36.907 38.460 -1.051 0.000 1.015 98 Y HN -0.033 nan 8.280 nan 0.000 0.491 99 H N -1.296 117.769 119.070 -0.009 0.000 2.674 99 H HA 0.369 4.924 4.556 -0.000 0.000 0.274 99 H C 1.278 176.711 175.328 0.176 0.000 1.121 99 H CA 0.250 56.313 56.048 0.025 0.000 1.132 99 H CB 0.297 30.038 29.762 -0.036 0.000 1.606 99 H HN 0.410 nan 8.280 nan 0.000 0.558 100 G N 0.345 109.304 108.800 0.264 0.000 2.179 100 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 100 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 100 G C -0.406 174.682 174.900 0.315 0.000 1.010 100 G CA -0.185 45.073 45.100 0.263 0.000 0.736 100 G HN 0.253 nan 8.290 nan 0.000 0.513 101 W N 0.858 122.186 121.300 0.047 0.000 2.322 101 W HA 0.512 5.172 4.660 -0.000 0.000 0.328 101 W C 0.790 177.210 176.519 -0.166 0.000 1.395 101 W CA 0.294 57.575 57.345 -0.107 0.000 1.267 101 W CB 0.417 29.836 29.460 -0.068 0.000 1.259 101 W HN 0.079 nan 8.180 nan 0.000 0.560 102 T N 4.981 119.443 114.554 -0.154 0.000 2.779 102 T HA 0.447 4.797 4.350 -0.000 0.000 0.280 102 T C -1.054 173.479 174.700 -0.278 0.000 0.987 102 T CA -0.449 61.590 62.100 -0.101 0.000 0.966 102 T CB 0.594 69.459 68.868 -0.005 0.000 0.933 102 T HN 0.014 nan 8.240 nan 0.000 0.442 103 Y N 0.807 121.123 120.300 0.028 0.000 2.487 103 Y HA 0.421 4.971 4.550 -0.000 0.000 0.337 103 Y C 0.474 176.388 175.900 0.022 0.000 1.076 103 Y CA -1.480 56.639 58.100 0.032 0.000 1.115 103 Y CB 0.937 39.429 38.460 0.054 0.000 1.235 103 Y HN 0.492 nan 8.280 nan 0.000 0.468 104 D N 2.368 122.878 120.400 0.182 0.000 2.317 104 D HA 0.116 4.756 4.640 -0.000 0.000 0.252 104 D C 0.689 177.063 176.300 0.122 0.000 1.174 104 D CA 0.162 54.230 54.000 0.114 0.000 0.866 104 D CB 1.106 41.950 40.800 0.075 0.000 1.127 104 D HN 0.688 nan 8.370 nan 0.000 0.467 105 L N 3.002 124.286 121.223 0.102 0.000 2.265 105 L HA -0.137 4.203 4.340 -0.000 0.000 0.215 105 L C 1.588 178.506 176.870 0.081 0.000 1.117 105 L CA 0.628 55.526 54.840 0.096 0.000 0.782 105 L CB -0.098 42.013 42.059 0.087 0.000 0.914 105 L HN 0.376 nan 8.230 nan 0.000 0.441 106 D N 0.459 120.898 120.400 0.066 0.000 2.149 106 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 106 D C 1.104 177.431 176.300 0.045 0.000 0.972 106 D CA 1.558 55.589 54.000 0.051 0.000 0.835 106 D CB 0.015 40.839 40.800 0.039 0.000 0.966 106 D HN 0.591 nan 8.370 nan 0.000 0.476 107 D N -2.657 117.773 120.400 0.051 0.000 2.520 107 D HA 0.213 4.853 4.640 -0.000 0.000 0.223 107 D C 1.350 177.686 176.300 0.060 0.000 1.186 107 D CA 0.386 54.411 54.000 0.041 0.000 0.821 107 D CB 0.078 40.897 40.800 0.032 0.000 1.072 107 D HN 0.073 nan 8.370 nan 0.000 0.518 108 G N 0.768 109.624 108.800 0.094 0.000 2.166 108 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 108 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 108 G C 0.192 175.230 174.900 0.231 0.000 0.986 108 G CA -0.033 45.148 45.100 0.136 0.000 0.683 108 G HN 0.317 nan 8.290 nan 0.000 0.527 109 R N -0.571 120.036 120.500 0.178 0.000 2.441 109 R HA 0.372 4.712 4.340 -0.000 0.000 0.284 109 R C 0.383 176.769 176.300 0.144 0.000 1.070 109 R CA -0.885 55.306 56.100 0.152 0.000 1.047 109 R CB 1.030 31.368 30.300 0.063 0.000 1.016 109 R HN 0.300 nan 8.270 nan 0.000 0.477 110 L N 4.558 125.807 121.223 0.044 0.000 2.407 110 L HA 0.014 4.354 4.340 -0.000 0.000 0.282 110 L C 0.965 177.712 176.870 -0.204 0.000 1.110 110 L CA 0.328 55.022 54.840 -0.244 0.000 0.863 110 L CB 0.772 42.621 42.059 -0.350 0.000 1.207 110 L HN 0.541 nan 8.230 nan 0.000 0.454 111 V N 0.422 120.226 119.914 -0.183 0.000 3.660 111 V HA 0.482 4.602 4.120 -0.000 0.000 0.276 111 V C 0.343 176.341 176.094 -0.159 0.000 1.317 111 V CA 0.265 62.487 62.300 -0.130 0.000 1.097 111 V CB -0.113 31.673 31.823 -0.061 0.000 0.863 111 V HN 0.797 nan 8.190 nan 0.000 0.438 112 D N -1.331 118.933 120.400 -0.227 0.000 2.755 112 D HA 0.448 5.088 4.640 -0.000 0.000 0.277 112 D C -1.798 174.332 176.300 -0.282 0.000 1.261 112 D CA -0.135 53.737 54.000 -0.214 0.000 0.759 112 D CB 2.620 43.345 40.800 -0.125 0.000 1.279 112 D HN -0.089 nan 8.370 nan 0.000 0.420 113 V N 3.026 122.794 119.914 -0.244 0.000 2.445 113 V HA 0.194 4.314 4.120 -0.000 0.000 0.283 113 V C 1.505 177.538 176.094 -0.102 0.000 1.014 113 V CA -0.496 61.670 62.300 -0.223 0.000 0.852 113 V CB 1.359 32.964 31.823 -0.364 0.000 1.021 113 V HN 0.563 nan 8.190 nan 0.000 0.435 114 L N 2.554 123.751 121.223 -0.042 0.000 2.129 114 L HA -0.146 4.193 4.340 -0.000 0.000 0.212 114 L C 2.403 179.253 176.870 -0.034 0.000 1.087 114 L CA 2.195 57.002 54.840 -0.054 0.000 0.757 114 L CB -0.474 41.544 42.059 -0.068 0.000 0.896 114 L HN 0.883 nan 8.230 nan 0.000 0.434 115 T N -5.773 108.790 114.554 0.015 0.000 3.107 115 T HA 0.065 4.415 4.350 -0.000 0.000 0.249 115 T C 0.795 175.496 174.700 0.001 0.000 1.096 115 T CA 0.248 62.363 62.100 0.026 0.000 1.012 115 T CB 0.318 69.237 68.868 0.085 0.000 0.977 115 T HN 0.113 nan 8.240 nan 0.000 0.527 116 S N 2.807 118.485 115.700 -0.037 0.000 2.680 116 S HA 0.342 4.812 4.470 -0.000 0.000 0.140 116 S C -3.054 171.489 174.600 -0.095 0.000 1.357 116 S CA -1.049 57.114 58.200 -0.060 0.000 1.201 116 S CB 0.725 63.886 63.200 -0.065 0.000 1.547 116 S HN 0.182 nan 8.310 nan 0.000 0.411 117 P HA 0.250 nan 4.420 nan 0.000 0.265 117 P C 0.995 178.241 177.300 -0.090 0.000 1.193 117 P CA 1.313 64.361 63.100 -0.088 0.000 0.765 117 P CB 0.463 32.122 31.700 -0.068 0.000 0.823 118 G N 1.634 110.373 108.800 -0.102 0.000 2.148 118 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 118 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 118 G C 0.427 175.261 174.900 -0.111 0.000 0.981 118 G CA 0.310 45.352 45.100 -0.096 0.000 0.670 118 G HN 0.821 nan 8.290 nan 0.000 0.528 119 S N 1.159 116.773 115.700 -0.143 0.000 2.552 119 S HA 0.354 4.824 4.470 -0.000 0.000 0.289 119 S C 0.373 174.873 174.600 -0.167 0.000 1.304 119 S CA -0.101 58.002 58.200 -0.161 0.000 1.063 119 S CB 0.990 64.053 63.200 -0.228 0.000 0.848 119 S HN 0.268 nan 8.310 nan 0.000 0.499 120 P HA -0.083 nan 4.420 nan 0.000 0.225 120 P C 1.374 178.588 177.300 -0.143 0.000 1.148 120 P CA 1.077 64.107 63.100 -0.116 0.000 0.779 120 P CB -0.354 31.297 31.700 -0.082 0.000 0.780 121 V N -3.275 116.516 119.914 -0.206 0.000 3.041 121 V HA 0.023 4.143 4.120 -0.000 0.000 0.260 121 V C 1.401 177.316 176.094 -0.298 0.000 1.105 121 V CA 0.183 62.334 62.300 -0.249 0.000 1.125 121 V CB -1.319 30.290 31.823 -0.358 0.000 0.730 121 V HN -0.132 nan 8.190 nan 0.000 0.479 122 I N 2.575 122.961 120.570 -0.307 0.000 2.741 122 I HA 0.364 4.534 4.170 -0.000 0.000 0.288 122 I C 1.626 177.635 176.117 -0.180 0.000 1.192 122 I CA 1.397 62.528 61.300 -0.282 0.000 1.426 122 I CB 0.065 37.919 38.000 -0.244 0.000 1.367 122 I HN 0.500 nan 8.210 nan 0.000 0.563 123 G N 5.085 113.792 108.800 -0.155 0.000 2.205 123 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.261 123 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.261 123 G C 0.804 175.664 174.900 -0.067 0.000 0.980 123 G CA 0.186 45.231 45.100 -0.091 0.000 0.632 123 G HN 0.682 nan 8.290 nan 0.000 0.533 124 K N -0.449 119.901 120.400 -0.082 0.000 2.387 124 K HA 0.546 4.866 4.320 -0.000 0.000 0.203 124 K C 0.447 177.038 176.600 -0.016 0.000 1.030 124 K CA 0.107 56.366 56.287 -0.047 0.000 1.099 124 K CB 0.850 33.317 32.500 -0.055 0.000 0.863 124 K HN 0.440 nan 8.250 nan 0.000 0.529 125 I N -0.235 120.327 120.570 -0.013 0.000 2.865 125 I HA 0.475 4.645 4.170 -0.000 0.000 0.302 125 I C -0.454 175.743 176.117 0.133 0.000 1.140 125 I CA -1.134 60.209 61.300 0.072 0.000 1.021 125 I CB 2.530 40.590 38.000 0.101 0.000 1.233 125 I HN -0.009 nan 8.210 nan 0.000 0.427 126 G N 4.114 113.034 108.800 0.201 0.000 2.632 126 G HA2 0.683 4.643 3.960 -0.000 0.000 0.292 126 G HA3 0.683 4.643 3.960 -0.000 0.000 0.292 126 G C -1.510 173.509 174.900 0.198 0.000 1.465 126 G CA -0.589 44.653 45.100 0.237 0.000 0.824 126 G HN 0.705 nan 8.290 nan 0.000 0.509 127 I N -2.207 118.458 120.570 0.158 0.000 3.170 127 I HA 0.766 4.936 4.170 -0.000 0.000 0.312 127 I C -0.147 175.968 176.117 -0.003 0.000 1.085 127 I CA -1.413 59.916 61.300 0.048 0.000 0.999 127 I CB 2.290 40.267 38.000 -0.037 0.000 1.233 127 I HN 0.477 nan 8.210 nan 0.000 0.467 128 K N 2.219 122.582 120.400 -0.063 0.000 2.298 128 K HA 0.504 4.824 4.320 -0.000 0.000 0.280 128 K C -0.776 175.685 176.600 -0.231 0.000 1.032 128 K CA -0.515 55.656 56.287 -0.194 0.000 0.958 128 K CB 1.081 33.378 32.500 -0.337 0.000 0.978 128 K HN 0.609 nan 8.250 nan 0.000 0.472 129 V N 1.343 121.107 119.914 -0.251 0.000 2.715 129 V HA 0.541 4.661 4.120 -0.000 0.000 0.310 129 V C -1.285 174.661 176.094 -0.247 0.000 1.054 129 V CA -0.982 61.253 62.300 -0.107 0.000 0.928 129 V CB 0.936 32.765 31.823 0.010 0.000 1.007 129 V HN 0.640 nan 8.190 nan 0.000 0.437 130 Y N 1.749 122.079 120.300 0.050 0.000 2.429 130 Y HA 0.710 5.260 4.550 -0.000 0.000 0.342 130 Y C -2.419 173.516 175.900 0.058 0.000 1.004 130 Y CA -2.857 55.269 58.100 0.043 0.000 1.075 130 Y CB 1.558 40.046 38.460 0.046 0.000 1.214 130 Y HN 0.468 nan 8.280 nan 0.000 0.455 131 P HA 0.166 nan 4.420 nan 0.000 0.271 131 P C -1.093 176.407 177.300 0.333 0.000 1.216 131 P CA -0.024 63.170 63.100 0.157 0.000 0.771 131 P CB 0.729 32.409 31.700 -0.034 0.000 0.864 132 V N 3.786 123.922 119.914 0.370 0.000 2.656 132 V HA 0.477 4.597 4.120 -0.000 0.000 0.307 132 V C -0.309 175.970 176.094 0.307 0.000 1.051 132 V CA -0.427 62.112 62.300 0.398 0.000 0.893 132 V CB 1.831 33.787 31.823 0.221 0.000 0.999 132 V HN 0.476 nan 8.190 nan 0.000 0.426 133 Q N 2.697 122.624 119.800 0.210 0.000 2.285 133 Q HA 0.634 4.974 4.340 -0.000 0.000 0.269 133 Q C -1.963 174.052 176.000 0.024 0.000 1.030 133 Q CA -0.442 55.338 55.803 -0.038 0.000 0.788 133 Q CB 2.476 30.952 28.738 -0.437 0.000 1.266 133 Q HN 0.592 nan 8.270 nan 0.000 0.438 134 V N 2.437 122.367 119.914 0.026 0.000 2.383 134 V HA 0.832 4.952 4.120 -0.000 0.000 0.275 134 V C -0.400 175.728 176.094 0.057 0.000 1.036 134 V CA -0.319 62.009 62.300 0.046 0.000 0.889 134 V CB 1.059 32.899 31.823 0.028 0.000 0.985 134 V HN 0.789 nan 8.190 nan 0.000 0.459 135 A N 4.003 126.906 122.820 0.137 0.000 2.427 135 A HA 0.696 5.016 4.320 -0.000 0.000 0.298 135 A C -0.000 177.680 177.584 0.161 0.000 1.036 135 A CA -0.433 51.683 52.037 0.131 0.000 0.701 135 A CB 1.588 20.659 19.000 0.118 0.000 1.250 135 A HN 0.743 nan 8.150 nan 0.000 0.412 136 Q N 0.667 120.490 119.800 0.039 0.000 2.481 136 Q HA -0.244 4.096 4.340 -0.000 0.000 0.272 136 Q C 1.011 176.976 176.000 -0.058 0.000 1.157 136 Q CA 2.087 57.849 55.803 -0.068 0.000 0.935 136 Q CB -2.090 26.533 28.738 -0.192 0.000 1.338 136 Q HN 2.630 nan 8.270 nan 0.000 0.494 137 G N -2.191 106.613 108.800 0.007 0.000 2.159 137 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.256 137 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.256 137 G C 0.125 175.080 174.900 0.091 0.000 0.977 137 G CA 0.214 45.344 45.100 0.051 0.000 0.652 137 G HN 0.406 nan 8.290 nan 0.000 0.531 138 V N 0.568 120.465 119.914 -0.028 0.000 2.513 138 V HA 0.618 4.738 4.120 -0.000 0.000 0.299 138 V C 0.536 176.361 176.094 -0.447 0.000 1.035 138 V CA -0.920 61.166 62.300 -0.356 0.000 0.889 138 V CB 2.068 33.507 31.823 -0.639 0.000 0.988 138 V HN 0.207 nan 8.190 nan 0.000 0.440 139 V N 5.387 125.003 119.914 -0.497 0.000 2.368 139 V HA 0.399 4.519 4.120 -0.000 0.000 0.266 139 V C -0.462 175.355 176.094 -0.462 0.000 1.045 139 V CA -0.123 61.993 62.300 -0.307 0.000 0.899 139 V CB 0.484 32.214 31.823 -0.154 0.000 1.006 139 V HN 0.613 nan 8.190 nan 0.000 0.470 140 F N 3.886 123.781 119.950 -0.092 0.000 2.421 140 F HA 0.640 5.167 4.527 -0.000 0.000 0.337 140 F C 0.157 176.138 175.800 0.301 0.000 1.105 140 F CA -0.644 57.357 58.000 0.002 0.000 1.049 140 F CB 1.908 40.845 39.000 -0.104 0.000 1.139 140 F HN 0.161 nan 8.300 nan 0.000 0.479 141 V N 3.934 124.135 119.914 0.478 0.000 2.540 141 V HA 0.269 4.389 4.120 -0.000 0.000 0.302 141 V C -0.827 175.397 176.094 0.217 0.000 1.035 141 V CA -1.021 61.488 62.300 0.348 0.000 0.873 141 V CB 1.812 33.674 31.823 0.066 0.000 0.992 141 V HN 0.544 nan 8.190 nan 0.000 0.428 142 F N 6.112 125.864 119.950 -0.330 0.000 2.404 142 F HA 0.510 5.037 4.527 -0.000 0.000 0.359 142 F C -0.007 175.647 175.800 -0.243 0.000 1.134 142 F CA -0.515 57.019 58.000 -0.775 0.000 1.160 142 F CB 0.344 38.407 39.000 -1.562 0.000 1.186 142 F HN 0.252 nan 8.300 nan 0.000 0.526 143 I N 5.834 126.118 120.570 -0.478 0.000 2.331 143 I HA 0.650 4.820 4.170 -0.000 0.000 0.292 143 I C 0.501 176.401 176.117 -0.362 0.000 0.998 143 I CA -0.274 60.912 61.300 -0.190 0.000 1.267 143 I CB 0.358 38.310 38.000 -0.080 0.000 1.386 143 I HN 0.741 nan 8.210 nan 0.000 0.476 144 G N 5.256 113.992 108.800 -0.107 0.000 2.361 144 G HA2 0.038 3.998 3.960 -0.000 0.000 0.305 144 G HA3 0.038 3.998 3.960 -0.000 0.000 0.305 144 G C -0.210 174.710 174.900 0.033 0.000 1.367 144 G CA -0.057 44.996 45.100 -0.078 0.000 0.951 144 G HN 0.587 nan 8.290 nan 0.000 0.615 145 D N -0.632 119.788 120.400 0.034 0.000 2.249 145 D HA 0.079 4.719 4.640 -0.000 0.000 0.205 145 D C 0.808 177.135 176.300 0.045 0.000 0.962 145 D CA 1.150 55.167 54.000 0.029 0.000 0.860 145 D CB 0.247 41.058 40.800 0.018 0.000 0.955 145 D HN 0.648 nan 8.370 nan 0.000 0.505 146 E N 0.622 120.876 120.200 0.090 0.000 2.369 146 E HA 0.125 4.475 4.350 -0.000 0.000 0.255 146 E C 0.097 176.696 176.600 -0.001 0.000 1.172 146 E CA -0.611 55.827 56.400 0.063 0.000 0.932 146 E CB 0.608 30.359 29.700 0.085 0.000 1.040 146 E HN 0.129 nan 8.360 nan 0.000 0.454 147 E N 2.085 122.211 120.200 -0.124 0.000 2.390 147 E HA 0.119 4.469 4.350 -0.000 0.000 0.261 147 E C -2.041 174.160 176.600 -0.665 0.000 1.076 147 E CA -1.747 54.480 56.400 -0.288 0.000 0.905 147 E CB -0.068 29.520 29.700 -0.187 0.000 0.984 147 E HN 0.293 nan 8.360 nan 0.000 0.427 148 P HA 0.083 nan 4.420 nan 0.000 0.275 148 P C -0.313 176.537 177.300 -0.750 0.000 1.228 148 P CA 0.047 62.069 63.100 -1.798 0.000 0.786 148 P CB 0.730 31.545 31.700 -1.474 0.000 0.927 149 H N 0.507 119.344 119.070 -0.388 0.000 2.669 149 H HA 0.612 5.168 4.556 -0.000 0.000 0.318 149 H C -0.143 175.257 175.328 0.121 0.000 1.429 149 H CA -1.221 54.773 56.048 -0.090 0.000 1.460 149 H CB 0.275 29.973 29.762 -0.108 0.000 1.784 149 H HN 0.489 nan 8.280 nan 0.000 0.750 150 A N 1.168 124.133 122.820 0.240 0.000 2.540 150 A HA 0.024 4.344 4.320 -0.000 0.000 0.239 150 A C 1.376 179.026 177.584 0.109 0.000 1.061 150 A CA -0.303 51.802 52.037 0.114 0.000 0.758 150 A CB -0.176 18.847 19.000 0.039 0.000 0.991 150 A HN 0.682 nan 8.150 nan 0.000 0.502 151 L N 3.750 124.825 121.223 -0.247 0.000 2.042 151 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 151 L C 2.648 179.301 176.870 -0.362 0.000 1.076 151 L CA 3.073 57.521 54.840 -0.653 0.000 0.749 151 L CB -0.816 40.639 42.059 -1.006 0.000 0.893 151 L HN 0.880 nan 8.230 nan 0.000 0.432 152 S N -1.336 114.218 115.700 -0.243 0.000 2.420 152 S HA -0.254 4.216 4.470 -0.000 0.000 0.237 152 S C 1.738 176.281 174.600 -0.095 0.000 1.023 152 S CA 1.410 59.505 58.200 -0.175 0.000 0.991 152 S CB -0.861 62.271 63.200 -0.113 0.000 0.792 152 S HN 0.681 nan 8.310 nan 0.000 0.488 153 E N 0.946 121.131 120.200 -0.025 0.000 2.338 153 E HA -0.063 4.287 4.350 -0.000 0.000 0.197 153 E C 0.417 177.037 176.600 0.034 0.000 1.007 153 E CA 0.890 57.297 56.400 0.011 0.000 0.849 153 E CB -0.027 29.556 29.700 -0.195 0.000 0.774 153 E HN 0.566 nan 8.360 nan 0.000 0.506 154 D N -0.137 120.276 120.400 0.023 0.000 2.501 154 D HA 0.188 4.828 4.640 -0.000 0.000 0.226 154 D C -0.287 175.957 176.300 -0.093 0.000 1.198 154 D CA 0.182 54.208 54.000 0.044 0.000 0.830 154 D CB 0.640 41.531 40.800 0.151 0.000 1.014 154 D HN 0.057 nan 8.370 nan 0.000 0.496 155 L N 0.393 121.511 121.223 -0.175 0.000 2.371 155 L HA 0.447 4.787 4.340 -0.000 0.000 0.262 155 L C -2.500 174.166 176.870 -0.339 0.000 1.006 155 L CA -2.152 52.495 54.840 -0.322 0.000 0.818 155 L CB 2.671 44.425 42.059 -0.508 0.000 1.354 155 L HN -0.350 nan 8.230 nan 0.000 0.415 156 P HA 0.171 nan 4.420 nan 0.000 0.272 156 P C -2.559 174.393 177.300 -0.580 0.000 1.230 156 P CA -1.097 61.519 63.100 -0.807 0.000 0.788 156 P CB -0.066 31.417 31.700 -0.362 0.000 0.949 157 P HA 0.070 nan 4.420 nan 0.000 0.265 157 P C 0.974 178.185 177.300 -0.149 0.000 1.193 157 P CA 1.302 64.146 63.100 -0.425 0.000 0.765 157 P CB 0.086 31.491 31.700 -0.493 0.000 0.823 158 G N 2.166 110.920 108.800 -0.077 0.000 2.241 158 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.244 158 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.244 158 G C 0.922 175.843 174.900 0.037 0.000 0.998 158 G CA 0.209 45.314 45.100 0.009 0.000 0.621 158 G HN 0.501 nan 8.290 nan 0.000 0.519 159 F N 1.363 121.200 119.950 -0.189 0.000 2.161 159 F HA 0.168 4.695 4.527 -0.000 0.000 0.300 159 F C 2.233 177.889 175.800 -0.239 0.000 1.089 159 F CA 2.192 59.944 58.000 -0.413 0.000 1.282 159 F CB -0.054 38.564 39.000 -0.637 0.000 1.010 159 F HN 0.203 nan 8.300 nan 0.000 0.485 160 L N -0.101 121.136 121.223 0.024 0.000 2.612 160 L HA 0.050 4.389 4.340 -0.000 0.000 0.230 160 L C -0.193 176.633 176.870 -0.073 0.000 1.140 160 L CA -0.308 54.518 54.840 -0.024 0.000 0.896 160 L CB -0.811 41.240 42.059 -0.013 0.000 1.065 160 L HN -0.134 nan 8.230 nan 0.000 0.447 161 D N 1.087 121.437 120.400 -0.083 0.000 2.581 161 D HA -0.089 4.551 4.640 -0.000 0.000 0.238 161 D C 1.136 177.396 176.300 -0.068 0.000 1.145 161 D CA 0.474 54.434 54.000 -0.066 0.000 0.866 161 D CB 1.200 41.965 40.800 -0.058 0.000 1.151 161 D HN 0.049 nan 8.370 nan 0.000 0.500 162 E N 1.174 121.346 120.200 -0.047 0.000 2.110 162 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 162 E C 0.666 177.251 176.600 -0.025 0.000 0.988 162 E CA 0.874 57.254 56.400 -0.034 0.000 0.804 162 E CB 0.107 29.792 29.700 -0.024 0.000 0.745 162 E HN 0.489 nan 8.360 nan 0.000 0.458 163 D N 0.076 120.458 120.400 -0.030 0.000 2.663 163 D HA -0.030 4.610 4.640 -0.000 0.000 0.243 163 D C -0.110 176.168 176.300 -0.037 0.000 1.218 163 D CA 0.162 54.146 54.000 -0.027 0.000 0.846 163 D CB -0.657 40.127 40.800 -0.028 0.000 1.014 163 D HN 0.086 nan 8.370 nan 0.000 0.476 164 T N -3.943 110.589 114.554 -0.037 0.000 2.816 164 T HA 0.509 4.859 4.350 -0.000 0.000 0.299 164 T C -1.373 173.332 174.700 0.010 0.000 1.230 164 T CA -0.937 61.130 62.100 -0.055 0.000 1.007 164 T CB 2.485 71.290 68.868 -0.104 0.000 1.289 164 T HN 0.138 nan 8.240 nan 0.000 0.508 165 H N -0.802 118.190 119.070 -0.131 0.000 2.717 165 H HA 0.773 5.329 4.556 -0.000 0.000 0.366 165 H C -1.746 173.581 175.328 -0.001 0.000 1.132 165 H CA -0.761 55.265 56.048 -0.036 0.000 1.180 165 H CB 1.313 31.126 29.762 0.085 0.000 1.678 165 H HN 0.615 nan 8.280 nan 0.000 0.537 166 L N 4.426 125.445 121.223 -0.339 0.000 2.381 166 L HA 0.553 4.893 4.340 -0.000 0.000 0.268 166 L C -1.163 175.548 176.870 -0.264 0.000 0.997 166 L CA -0.372 54.373 54.840 -0.159 0.000 0.818 166 L CB 1.897 43.792 42.059 -0.273 0.000 1.310 166 L HN 0.494 nan 8.230 nan 0.000 0.416 167 L N 1.437 122.508 121.223 -0.254 0.000 2.422 167 L HA 0.976 5.316 4.340 -0.000 0.000 0.264 167 L C -0.070 176.401 176.870 -0.665 0.000 0.984 167 L CA -0.394 53.981 54.840 -0.774 0.000 0.819 167 L CB 2.280 43.391 42.059 -1.580 0.000 1.330 167 L HN 0.731 nan 8.230 nan 0.000 0.410 168 G N 1.798 110.195 108.800 -0.672 0.000 2.600 168 G HA2 0.756 4.716 3.960 -0.000 0.000 0.296 168 G HA3 0.756 4.716 3.960 -0.000 0.000 0.296 168 G C -1.706 172.836 174.900 -0.596 0.000 1.387 168 G CA -0.536 44.422 45.100 -0.236 0.000 0.781 168 G HN 0.701 nan 8.290 nan 0.000 0.482 169 I N -2.557 117.954 120.570 -0.098 0.000 3.264 169 I HA 0.956 5.126 4.170 -0.000 0.000 0.315 169 I C -0.739 175.462 176.117 0.140 0.000 1.154 169 I CA -1.546 59.715 61.300 -0.065 0.000 0.962 169 I CB 2.680 40.633 38.000 -0.078 0.000 1.265 169 I HN 0.848 nan 8.210 nan 0.000 0.463 170 R N 1.848 122.344 120.500 -0.006 0.000 2.740 170 R HA 0.835 5.175 4.340 -0.000 0.000 0.273 170 R C -1.460 174.708 176.300 -0.220 0.000 0.998 170 R CA -0.937 54.935 56.100 -0.381 0.000 0.900 170 R CB 2.415 32.111 30.300 -1.007 0.000 1.223 170 R HN 1.005 nan 8.270 nan 0.000 0.466 171 R N 0.238 120.624 120.500 -0.191 0.000 2.733 171 R HA 0.415 4.755 4.340 -0.000 0.000 0.272 171 R C -1.492 174.799 176.300 -0.016 0.000 1.029 171 R CA -0.920 55.154 56.100 -0.043 0.000 0.888 171 R CB 1.830 32.164 30.300 0.058 0.000 1.251 171 R HN 0.563 nan 8.270 nan 0.000 0.464 172 T N 1.120 115.674 114.554 0.001 0.000 2.882 172 T HA 0.497 4.847 4.350 -0.000 0.000 0.287 172 T C -0.628 174.050 174.700 -0.037 0.000 0.992 172 T CA -0.467 61.623 62.100 -0.018 0.000 1.076 172 T CB 1.431 70.297 68.868 -0.003 0.000 0.961 172 T HN 0.311 nan 8.240 nan 0.000 0.490 173 V N 3.406 123.222 119.914 -0.163 0.000 2.638 173 V HA 0.281 4.401 4.120 -0.000 0.000 0.306 173 V C -0.237 175.791 176.094 -0.110 0.000 1.052 173 V CA -0.987 61.198 62.300 -0.192 0.000 0.885 173 V CB 2.087 33.638 31.823 -0.454 0.000 0.999 173 V HN 0.725 nan 8.190 nan 0.000 0.424 174 Q N 3.132 122.939 119.800 0.011 0.000 3.254 174 Q HA 0.295 4.635 4.340 -0.000 0.000 0.315 174 Q C 0.260 176.329 176.000 0.114 0.000 1.405 174 Q CA 0.049 55.891 55.803 0.065 0.000 0.966 174 Q CB 0.383 29.162 28.738 0.069 0.000 1.706 174 Q HN 0.870 nan 8.270 nan 0.000 0.525 175 S N -0.618 115.192 115.700 0.182 0.000 2.570 175 S HA 0.322 4.792 4.470 -0.000 0.000 0.270 175 S C -0.511 174.289 174.600 0.334 0.000 1.149 175 S CA -1.025 57.312 58.200 0.228 0.000 0.837 175 S CB 1.749 65.076 63.200 0.212 0.000 1.124 175 S HN 0.389 nan 8.310 nan 0.000 0.465 176 N N 1.816 120.634 118.700 0.197 0.000 2.395 176 N HA -0.038 4.702 4.740 -0.000 0.000 0.246 176 N C 1.643 177.205 175.510 0.087 0.000 1.246 176 N CA 0.371 53.529 53.050 0.180 0.000 0.879 176 N CB 0.418 38.963 38.487 0.096 0.000 1.098 176 N HN 0.955 nan 8.380 nan 0.000 0.444 177 W N 5.303 126.594 121.300 -0.014 0.000 2.331 177 W HA -0.169 4.491 4.660 -0.000 0.000 0.291 177 W C 1.148 177.515 176.519 -0.253 0.000 1.214 177 W CA 0.423 57.639 57.345 -0.215 0.000 1.228 177 W CB -0.763 28.688 29.460 -0.015 0.000 1.135 177 W HN 0.591 nan 8.180 nan 0.000 0.537 178 R N 0.815 120.667 120.500 -1.080 0.000 2.120 178 R HA -0.048 4.292 4.340 -0.000 0.000 0.234 178 R C 2.500 178.536 176.300 -0.441 0.000 1.123 178 R CA 1.698 57.238 56.100 -0.934 0.000 0.975 178 R CB -0.547 29.212 30.300 -0.901 0.000 0.866 178 R HN 0.263 nan 8.270 nan 0.000 0.446 179 L N -0.639 120.354 121.223 -0.383 0.000 2.217 179 L HA -0.023 4.317 4.340 -0.000 0.000 0.211 179 L C 2.390 179.032 176.870 -0.380 0.000 1.107 179 L CA 0.994 55.618 54.840 -0.359 0.000 0.783 179 L CB -0.517 41.381 42.059 -0.269 0.000 0.919 179 L HN 0.342 nan 8.230 nan 0.000 0.442 180 G N -0.222 108.271 108.800 -0.511 0.000 2.404 180 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 180 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 180 G C 1.582 175.822 174.900 -1.100 0.000 1.189 180 G CA 0.664 45.398 45.100 -0.610 0.000 0.789 180 G HN 0.113 nan 8.290 nan 0.000 0.533 181 V N 1.091 120.254 119.914 -1.252 0.000 2.282 181 V HA -0.226 3.894 4.120 -0.000 0.000 0.249 181 V C 2.620 178.342 176.094 -0.620 0.000 1.057 181 V CA 2.325 63.941 62.300 -1.139 0.000 1.032 181 V CB -0.571 30.908 31.823 -0.573 0.000 0.645 181 V HN 0.471 nan 8.190 nan 0.000 0.447 182 E N -0.198 119.758 120.200 -0.407 0.000 2.347 182 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 182 E C 2.093 178.539 176.600 -0.256 0.000 1.008 182 E CA 0.685 56.949 56.400 -0.226 0.000 0.852 182 E CB -0.208 29.413 29.700 -0.131 0.000 0.783 182 E HN 0.677 nan 8.360 nan 0.000 0.505 183 N N 0.511 119.000 118.700 -0.351 0.000 2.333 183 N HA -0.081 4.659 4.740 -0.000 0.000 0.178 183 N C 1.897 177.161 175.510 -0.409 0.000 1.018 183 N CA 1.103 53.910 53.050 -0.404 0.000 0.882 183 N CB 0.155 38.428 38.487 -0.356 0.000 0.984 183 N HN 0.109 nan 8.380 nan 0.000 0.434 184 G N -0.117 108.548 108.800 -0.226 0.000 2.396 184 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 184 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 184 G C 0.519 175.465 174.900 0.076 0.000 1.166 184 G CA -0.049 45.060 45.100 0.016 0.000 0.793 184 G HN 0.314 nan 8.290 nan 0.000 0.533 185 F N 2.441 122.274 119.950 -0.195 0.000 2.752 185 F HA 0.417 4.944 4.527 -0.000 0.000 0.332 185 F C -0.642 175.090 175.800 -0.113 0.000 1.188 185 F CA -1.969 55.927 58.000 -0.174 0.000 1.296 185 F CB -0.129 38.689 39.000 -0.304 0.000 1.526 185 F HN -0.076 nan 8.300 nan 0.000 0.576 186 D N 0.916 121.248 120.400 -0.113 0.000 2.686 186 D HA 0.103 4.743 4.640 -0.000 0.000 0.249 186 D C 0.898 177.260 176.300 0.103 0.000 1.260 186 D CA -0.010 53.953 54.000 -0.062 0.000 0.910 186 D CB 1.759 42.550 40.800 -0.015 0.000 1.323 186 D HN 0.300 nan 8.370 nan 0.000 0.561 187 T N -0.434 114.103 114.554 -0.030 0.000 3.113 187 T HA -0.031 4.319 4.350 -0.000 0.000 0.256 187 T C 1.276 176.060 174.700 0.141 0.000 1.131 187 T CA 1.156 63.282 62.100 0.044 0.000 1.074 187 T CB -0.077 68.759 68.868 -0.053 0.000 0.944 187 T HN 0.369 nan 8.240 nan 0.000 0.516 188 T N -1.147 113.494 114.554 0.146 0.000 3.003 188 T HA 0.121 4.471 4.350 -0.000 0.000 0.261 188 T C 1.708 176.508 174.700 0.167 0.000 1.003 188 T CA 0.149 62.337 62.100 0.147 0.000 0.917 188 T CB -0.451 68.549 68.868 0.220 0.000 1.084 188 T HN 0.648 nan 8.240 nan 0.000 0.522 189 H N 2.886 122.031 119.070 0.126 0.000 2.491 189 H HA 0.037 4.593 4.556 -0.000 0.000 0.290 189 H C 1.980 177.391 175.328 0.138 0.000 1.050 189 H CA 1.213 57.327 56.048 0.109 0.000 1.309 189 H CB -0.632 29.155 29.762 0.042 0.000 1.392 189 H HN 0.633 nan 8.280 nan 0.000 0.554 190 I N -1.614 118.636 120.570 -0.534 0.000 2.761 190 I HA -0.207 3.963 4.170 -0.000 0.000 0.266 190 I C 2.293 178.448 176.117 0.064 0.000 1.239 190 I CA 1.039 62.218 61.300 -0.203 0.000 1.451 190 I CB -1.092 36.886 38.000 -0.037 0.000 1.096 190 I HN 0.030 nan 8.210 nan 0.000 0.465 191 F N 3.638 123.549 119.950 -0.064 0.000 2.126 191 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 191 F C 2.386 178.218 175.800 0.054 0.000 1.096 191 F CA 2.354 60.388 58.000 0.055 0.000 1.255 191 F CB -0.327 38.687 39.000 0.023 0.000 0.997 191 F HN 0.233 nan 8.300 nan 0.000 0.479 192 M N -1.124 118.393 119.600 -0.138 0.000 2.549 192 M HA -0.103 4.377 4.480 -0.000 0.000 0.260 192 M C 0.915 177.035 176.300 -0.300 0.000 1.076 192 M CA 1.620 56.746 55.300 -0.289 0.000 1.090 192 M CB -0.790 31.658 32.600 -0.254 0.000 1.418 192 M HN 0.093 nan 8.290 nan 0.000 0.486 193 H N 1.504 120.541 119.070 -0.056 0.000 2.551 193 H HA 0.159 4.715 4.556 -0.000 0.000 0.271 193 H C 1.882 177.260 175.328 0.084 0.000 0.984 193 H CA 0.827 56.822 56.048 -0.088 0.000 1.164 193 H CB -0.281 29.353 29.762 -0.212 0.000 1.437 193 H HN 0.644 nan 8.280 nan 0.000 0.550 194 R N 0.912 121.528 120.500 0.192 0.000 2.133 194 R HA -0.127 4.213 4.340 -0.000 0.000 0.247 194 R C 0.524 176.936 176.300 0.187 0.000 1.151 194 R CA 1.644 57.888 56.100 0.240 0.000 0.971 194 R CB -0.186 30.233 30.300 0.197 0.000 0.866 194 R HN 0.048 nan 8.270 nan 0.000 0.447 195 N N 0.857 119.622 118.700 0.108 0.000 2.251 195 N HA 0.008 4.748 4.740 -0.000 0.000 0.217 195 N C -0.489 175.092 175.510 0.118 0.000 1.124 195 N CA 0.159 53.271 53.050 0.103 0.000 0.843 195 N CB 0.947 39.473 38.487 0.064 0.000 1.024 195 N HN 0.196 nan 8.380 nan 0.000 0.501 196 S N 2.443 118.228 115.700 0.142 0.000 2.533 196 S HA 0.112 4.582 4.470 -0.000 0.000 0.282 196 S C -1.052 173.668 174.600 0.200 0.000 1.304 196 S CA -1.061 57.235 58.200 0.160 0.000 1.063 196 S CB 0.956 64.234 63.200 0.130 0.000 0.881 196 S HN 0.110 nan 8.310 nan 0.000 0.493 197 P HA -0.095 nan 4.420 nan 0.000 0.223 197 P C 1.286 178.726 177.300 0.232 0.000 1.144 197 P CA 0.816 64.022 63.100 0.177 0.000 0.783 197 P CB -0.121 31.673 31.700 0.157 0.000 0.771 198 W N 0.858 122.225 121.300 0.111 0.000 2.467 198 W HA -0.090 4.570 4.660 -0.000 0.000 0.275 198 W C 1.439 177.988 176.519 0.050 0.000 1.239 198 W CA 0.368 57.770 57.345 0.096 0.000 1.266 198 W CB -0.146 29.417 29.460 0.171 0.000 1.112 198 W HN -0.238 nan 8.180 nan 0.000 0.576 199 V N 1.550 121.514 119.914 0.084 0.000 2.261 199 V HA -0.354 3.766 4.120 -0.000 0.000 0.246 199 V C 2.633 178.656 176.094 -0.118 0.000 1.047 199 V CA 2.820 65.097 62.300 -0.038 0.000 1.015 199 V CB -1.125 30.773 31.823 0.126 0.000 0.642 199 V HN 0.307 nan 8.190 nan 0.000 0.446 200 S N 0.127 115.796 115.700 -0.052 0.000 2.425 200 S HA 0.027 4.497 4.470 -0.000 0.000 0.225 200 S C 2.096 176.612 174.600 -0.139 0.000 1.024 200 S CA 0.898 59.057 58.200 -0.069 0.000 0.951 200 S CB -0.429 62.765 63.200 -0.010 0.000 0.796 200 S HN 0.520 nan 8.310 nan 0.000 0.498 201 G N 1.967 110.679 108.800 -0.147 0.000 2.475 201 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 201 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 201 G C 1.217 175.874 174.900 -0.405 0.000 1.125 201 G CA 1.043 46.036 45.100 -0.179 0.000 0.755 201 G HN 0.616 nan 8.290 nan 0.000 0.565 202 N N -0.567 117.706 118.700 -0.712 0.000 2.351 202 N HA 0.087 4.827 4.740 -0.000 0.000 0.254 202 N C 0.308 175.548 175.510 -0.450 0.000 1.241 202 N CA -0.502 52.075 53.050 -0.787 0.000 0.883 202 N CB -0.175 37.348 38.487 -1.607 0.000 1.202 202 N HN 0.149 nan 8.380 nan 0.000 0.512 203 R N 0.296 120.620 120.500 -0.294 0.000 3.184 203 R HA -0.184 4.156 4.340 -0.000 0.000 0.242 203 R C -0.617 175.600 176.300 -0.140 0.000 0.907 203 R CA 0.460 56.461 56.100 -0.166 0.000 0.618 203 R CB -1.849 28.381 30.300 -0.118 0.000 1.016 203 R HN 0.380 nan 8.270 nan 0.000 0.469 204 L N 0.226 121.353 121.223 -0.160 0.000 2.395 204 L HA 0.383 4.723 4.340 -0.000 0.000 0.269 204 L C 1.069 177.990 176.870 0.086 0.000 1.133 204 L CA -0.298 54.506 54.840 -0.060 0.000 0.812 204 L CB 1.195 43.186 42.059 -0.113 0.000 1.125 204 L HN 0.252 nan 8.230 nan 0.000 0.452 205 A N 3.397 126.315 122.820 0.163 0.000 2.910 205 A HA 0.371 4.691 4.320 -0.000 0.000 0.316 205 A C -0.814 177.053 177.584 0.471 0.000 1.493 205 A CA -0.172 52.010 52.037 0.242 0.000 1.150 205 A CB -0.565 18.532 19.000 0.162 0.000 1.159 205 A HN 0.437 nan 8.150 nan 0.000 0.526 206 F N 5.132 125.212 119.950 0.217 0.000 2.361 206 F HA 0.511 5.038 4.527 -0.000 0.000 0.364 206 F C -2.011 173.724 175.800 -0.108 0.000 1.117 206 F CA -2.480 55.591 58.000 0.118 0.000 1.071 206 F CB 1.735 40.820 39.000 0.142 0.000 1.188 206 F HN 0.374 nan 8.300 nan 0.000 0.464 207 P HA 0.089 nan 4.420 nan 0.000 0.277 207 P C -0.160 176.558 177.300 -0.970 0.000 1.271 207 P CA -0.055 62.271 63.100 -1.290 0.000 0.795 207 P CB 1.109 31.691 31.700 -1.863 0.000 1.101 208 Y N -0.804 119.232 120.300 -0.441 0.000 2.544 208 Y HA 0.329 4.879 4.550 -0.000 0.000 0.286 208 Y C 1.706 177.483 175.900 -0.205 0.000 1.141 208 Y CA 1.095 59.103 58.100 -0.153 0.000 1.299 208 Y CB -0.295 38.211 38.460 0.077 0.000 1.030 208 Y HN 0.559 nan 8.280 nan 0.000 0.543 209 G N -1.612 106.976 108.800 -0.353 0.000 2.368 209 G HA2 0.434 4.394 3.960 -0.000 0.000 0.293 209 G HA3 0.434 4.394 3.960 -0.000 0.000 0.293 209 G C -2.090 172.503 174.900 -0.511 0.000 1.467 209 G CA -0.950 43.972 45.100 -0.296 0.000 0.804 209 G HN -0.154 nan 8.290 nan 0.000 0.535 210 F N 0.349 120.256 119.950 -0.071 0.000 2.477 210 F HA 0.594 5.121 4.527 -0.000 0.000 0.335 210 F C 0.192 176.114 175.800 0.203 0.000 1.130 210 F CA -0.767 57.248 58.000 0.025 0.000 0.948 210 F CB 2.566 41.503 39.000 -0.106 0.000 1.154 210 F HN 0.279 nan 8.300 nan 0.000 0.439 211 V N 5.095 125.212 119.914 0.338 0.000 2.398 211 V HA 0.401 4.521 4.120 -0.000 0.000 0.286 211 V C -2.248 173.752 176.094 -0.155 0.000 1.026 211 V CA -2.440 59.921 62.300 0.102 0.000 0.868 211 V CB 1.741 33.569 31.823 0.010 0.000 0.982 211 V HN 0.471 nan 8.190 nan 0.000 0.443 212 P HA 0.056 nan 4.420 nan 0.000 0.260 212 P C 0.282 177.319 177.300 -0.439 0.000 1.185 212 P CA 0.423 62.951 63.100 -0.953 0.000 0.763 212 P CB 0.848 32.161 31.700 -0.644 0.000 0.776 213 A N 3.713 126.316 122.820 -0.361 0.000 2.014 213 A HA 0.129 4.449 4.320 -0.000 0.000 0.210 213 A C 0.537 178.048 177.584 -0.122 0.000 1.188 213 A CA 1.158 53.101 52.037 -0.156 0.000 0.731 213 A CB -0.287 18.675 19.000 -0.063 0.000 0.858 213 A HN 0.606 nan 8.150 nan 0.000 0.464 214 D N -3.685 116.630 120.400 -0.141 0.000 2.752 214 D HA 0.422 5.062 4.640 -0.000 0.000 0.313 214 D C 0.293 176.535 176.300 -0.097 0.000 1.225 214 D CA -0.788 53.157 54.000 -0.091 0.000 0.976 214 D CB 0.313 41.083 40.800 -0.050 0.000 1.443 214 D HN -0.130 nan 8.370 nan 0.000 0.515 215 R N -0.706 119.756 120.500 -0.064 0.000 2.193 215 R HA 0.039 4.379 4.340 -0.000 0.000 0.229 215 R C 0.192 176.463 176.300 -0.049 0.000 1.110 215 R CA 1.103 57.169 56.100 -0.056 0.000 0.988 215 R CB -0.221 30.055 30.300 -0.040 0.000 0.871 215 R HN 0.416 nan 8.270 nan 0.000 0.458 216 D N -0.104 120.273 120.400 -0.037 0.000 2.342 216 D HA 0.121 4.761 4.640 -0.000 0.000 0.221 216 D C 1.221 177.522 176.300 0.002 0.000 1.101 216 D CA 0.256 54.246 54.000 -0.017 0.000 0.837 216 D CB 0.504 41.303 40.800 -0.000 0.000 0.938 216 D HN 0.200 nan 8.370 nan 0.000 0.508 217 A N 0.295 123.094 122.820 -0.035 0.000 1.933 217 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 217 A C 1.166 178.831 177.584 0.135 0.000 1.175 217 A CA 0.982 53.017 52.037 -0.003 0.000 0.628 217 A CB -0.067 18.736 19.000 -0.329 0.000 0.814 217 A HN 0.179 nan 8.150 nan 0.000 0.444 218 M N -1.342 118.290 119.600 0.053 0.000 2.535 218 M HA 0.488 4.968 4.480 -0.000 0.000 0.314 218 M C -0.674 175.626 176.300 -0.000 0.000 1.153 218 M CA -0.266 55.077 55.300 0.072 0.000 0.924 218 M CB 2.283 34.919 32.600 0.060 0.000 1.710 218 M HN 0.310 nan 8.290 nan 0.000 0.451 219 Q N 1.888 121.671 119.800 -0.028 0.000 2.285 219 Q HA 0.619 4.958 4.340 -0.000 0.000 0.269 219 Q C -2.076 173.731 176.000 -0.321 0.000 1.030 219 Q CA -0.665 55.022 55.803 -0.193 0.000 0.788 219 Q CB 2.326 30.919 28.738 -0.240 0.000 1.266 219 Q HN 0.634 nan 8.270 nan 0.000 0.438 220 V N 4.406 124.108 119.914 -0.353 0.000 2.439 220 V HA 0.356 4.476 4.120 -0.000 0.000 0.282 220 V C -1.089 174.735 176.094 -0.450 0.000 1.039 220 V CA -0.406 61.713 62.300 -0.302 0.000 0.913 220 V CB 0.881 32.606 31.823 -0.163 0.000 0.983 220 V HN 0.707 nan 8.190 nan 0.000 0.460 221 Y N 2.918 123.153 120.300 -0.107 0.000 2.587 221 Y HA 0.361 4.911 4.550 -0.000 0.000 0.328 221 Y C 0.476 176.328 175.900 -0.079 0.000 0.980 221 Y CA -1.089 56.987 58.100 -0.041 0.000 1.272 221 Y CB 0.806 39.312 38.460 0.077 0.000 1.094 221 Y HN 0.845 nan 8.280 nan 0.000 0.503 222 D N -1.288 119.099 120.400 -0.022 0.000 2.433 222 D HA 0.071 4.711 4.640 -0.000 0.000 0.211 222 D C -0.212 175.983 176.300 -0.175 0.000 1.114 222 D CA -0.070 53.858 54.000 -0.119 0.000 0.837 222 D CB 0.330 41.055 40.800 -0.125 0.000 0.984 222 D HN 0.382 nan 8.370 nan 0.000 0.505 223 E N 0.852 120.991 120.200 -0.101 0.000 2.133 223 E HA 0.413 4.763 4.350 -0.000 0.000 0.274 223 E C -0.501 176.018 176.600 -0.135 0.000 0.930 223 E CA -0.631 55.698 56.400 -0.120 0.000 0.770 223 E CB 0.857 30.528 29.700 -0.048 0.000 1.104 223 E HN 0.080 nan 8.360 nan 0.000 0.403 224 N N 1.006 119.562 118.700 -0.241 0.000 6.841 224 N HA -0.243 4.497 4.740 -0.000 0.000 0.420 224 N C -1.463 173.840 175.510 -0.344 0.000 0.944 224 N CA 1.146 54.075 53.050 -0.203 0.000 1.444 224 N CB -0.334 38.144 38.487 -0.014 0.000 0.807 224 N HN 0.413 nan 8.380 nan 0.000 0.332 225 W N 0.548 121.875 121.300 0.045 0.000 2.781 225 W HA 0.579 5.239 4.660 -0.000 0.000 0.345 225 W C -1.781 174.754 176.519 0.026 0.000 1.085 225 W CA -1.069 56.309 57.345 0.054 0.000 1.198 225 W CB 0.577 30.046 29.460 0.015 0.000 1.423 225 W HN 0.356 nan 8.180 nan 0.000 0.532 226 P HA 0.308 nan 4.420 nan 0.000 0.276 226 P C -1.217 176.391 177.300 0.512 0.000 1.252 226 P CA -0.352 63.015 63.100 0.445 0.000 0.802 226 P CB 1.292 33.097 31.700 0.175 0.000 1.035 227 K N 0.295 121.039 120.400 0.573 0.000 2.259 227 K HA 0.756 5.076 4.320 -0.000 0.000 0.252 227 K C 0.088 176.883 176.600 0.326 0.000 0.936 227 K CA -0.657 55.825 56.287 0.324 0.000 0.810 227 K CB 2.088 34.556 32.500 -0.053 0.000 1.143 227 K HN 0.800 nan 8.250 nan 0.000 0.427 228 G N 0.278 109.029 108.800 -0.081 0.000 2.427 228 G HA2 0.428 4.388 3.960 -0.000 0.000 0.306 228 G HA3 0.428 4.388 3.960 -0.000 0.000 0.306 228 G C -1.773 172.808 174.900 -0.531 0.000 1.280 228 G CA -0.596 44.162 45.100 -0.570 0.000 0.837 228 G HN 0.308 nan 8.290 nan 0.000 0.482 229 V N 0.492 120.013 119.914 -0.654 0.000 2.735 229 V HA 0.729 4.849 4.120 -0.000 0.000 0.310 229 V C -0.401 175.524 176.094 -0.282 0.000 1.061 229 V CA -0.760 61.357 62.300 -0.306 0.000 0.913 229 V CB 1.738 33.508 31.823 -0.087 0.000 1.005 229 V HN 0.768 nan 8.190 nan 0.000 0.428 230 L N 2.707 123.949 121.223 0.032 0.000 2.362 230 L HA 0.674 5.014 4.340 -0.000 0.000 0.275 230 L C -1.375 175.615 176.870 0.200 0.000 0.998 230 L CA -0.440 54.494 54.840 0.156 0.000 0.820 230 L CB 2.036 44.288 42.059 0.320 0.000 1.270 230 L HN 0.624 nan 8.230 nan 0.000 0.415 231 D N 4.869 125.380 120.400 0.185 0.000 2.349 231 D HA 0.269 4.909 4.640 -0.000 0.000 0.232 231 D C -0.178 176.109 176.300 -0.021 0.000 1.071 231 D CA -0.209 53.837 54.000 0.077 0.000 0.832 231 D CB 1.436 42.132 40.800 -0.173 0.000 1.086 231 D HN 0.329 nan 8.370 nan 0.000 0.504 232 R N 3.269 123.837 120.500 0.112 0.000 3.266 232 R HA 0.183 4.523 4.340 -0.000 0.000 0.224 232 R C 1.272 177.599 176.300 0.044 0.000 1.525 232 R CA -0.146 55.998 56.100 0.073 0.000 1.364 232 R CB 0.288 30.664 30.300 0.126 0.000 1.276 232 R HN 0.425 nan 8.270 nan 0.000 0.660 233 L N 0.480 121.522 121.223 -0.302 0.000 1.994 233 L HA -0.253 4.086 4.340 -0.000 0.000 0.208 233 L C 2.490 179.268 176.870 -0.154 0.000 1.071 233 L CA 1.950 56.459 54.840 -0.553 0.000 0.745 233 L CB -0.599 40.824 42.059 -1.060 0.000 0.892 233 L HN 0.494 nan 8.230 nan 0.000 0.431 234 S N -0.715 114.931 115.700 -0.090 0.000 2.402 234 S HA -0.145 4.324 4.470 -0.000 0.000 0.229 234 S C 1.660 176.311 174.600 0.086 0.000 1.021 234 S CA 1.016 59.239 58.200 0.038 0.000 0.974 234 S CB -0.254 62.968 63.200 0.036 0.000 0.800 234 S HN 0.511 nan 8.310 nan 0.000 0.484 235 E N 1.287 121.535 120.200 0.081 0.000 2.166 235 E HA 0.110 4.460 4.350 -0.000 0.000 0.192 235 E C 0.462 177.125 176.600 0.104 0.000 0.967 235 E CA 0.766 57.219 56.400 0.088 0.000 0.840 235 E CB -0.099 29.645 29.700 0.073 0.000 0.795 235 E HN 0.653 nan 8.360 nan 0.000 0.470 236 N N -0.834 117.958 118.700 0.152 0.000 2.299 236 N HA 0.136 4.876 4.740 -0.000 0.000 0.246 236 N C -1.245 174.327 175.510 0.103 0.000 1.254 236 N CA -0.110 53.007 53.050 0.112 0.000 0.879 236 N CB 0.646 39.170 38.487 0.061 0.000 1.214 236 N HN -0.026 nan 8.380 nan 0.000 0.510 237 Y N 0.574 120.895 120.300 0.034 0.000 2.562 237 Y HA 0.471 5.021 4.550 -0.000 0.000 0.343 237 Y C -0.207 175.770 175.900 0.129 0.000 1.025 237 Y CA -1.159 56.984 58.100 0.072 0.000 1.082 237 Y CB 1.499 40.007 38.460 0.080 0.000 1.264 237 Y HN -0.089 nan 8.280 nan 0.000 0.478 238 M N 6.703 126.457 119.600 0.256 0.000 2.101 238 M HA 0.439 4.919 4.480 -0.000 0.000 0.340 238 M C -2.848 173.536 176.300 0.141 0.000 1.057 238 M CA -1.866 53.537 55.300 0.172 0.000 0.984 238 M CB 1.313 33.961 32.600 0.080 0.000 1.560 238 M HN 0.287 nan 8.290 nan 0.000 0.435 239 P HA 0.149 nan 4.420 nan 0.000 0.279 239 P C -1.096 176.000 177.300 -0.340 0.000 1.239 239 P CA -0.339 62.548 63.100 -0.355 0.000 0.789 239 P CB 1.175 32.647 31.700 -0.381 0.000 0.933 240 V N 4.639 124.254 119.914 -0.498 0.000 2.277 240 V HA 0.157 4.277 4.120 -0.000 0.000 0.269 240 V C 0.633 176.549 176.094 -0.296 0.000 1.036 240 V CA 0.020 62.186 62.300 -0.224 0.000 0.821 240 V CB -0.377 31.395 31.823 -0.084 0.000 1.052 240 V HN 0.426 nan 8.190 nan 0.000 0.462 241 F N 1.601 121.528 119.950 -0.038 0.000 2.765 241 F HA 0.329 4.856 4.527 -0.000 0.000 0.302 241 F C 1.124 177.002 175.800 0.130 0.000 1.111 241 F CA 0.063 58.015 58.000 -0.081 0.000 1.359 241 F CB 0.531 39.483 39.000 -0.080 0.000 1.097 241 F HN 0.415 nan 8.300 nan 0.000 0.577 242 E N 0.038 120.454 120.200 0.360 0.000 2.287 242 E HA 0.566 4.916 4.350 -0.000 0.000 0.274 242 E C -1.030 175.698 176.600 0.213 0.000 0.896 242 E CA -0.607 55.989 56.400 0.327 0.000 0.788 242 E CB 1.987 31.808 29.700 0.203 0.000 1.244 242 E HN -0.027 nan 8.360 nan 0.000 0.408 243 A N 2.281 125.171 122.820 0.116 0.000 2.290 243 A HA 0.618 4.938 4.320 -0.000 0.000 0.310 243 A C 0.067 177.645 177.584 -0.010 0.000 1.202 243 A CA -0.436 51.591 52.037 -0.016 0.000 0.837 243 A CB 0.539 19.427 19.000 -0.187 0.000 1.139 243 A HN 0.523 nan 8.150 nan 0.000 0.509 244 T N 0.317 114.865 114.554 -0.010 0.000 2.885 244 T HA 0.718 5.068 4.350 -0.000 0.000 0.285 244 T C -0.608 174.077 174.700 -0.025 0.000 1.019 244 T CA -0.692 61.404 62.100 -0.007 0.000 1.010 244 T CB 1.302 70.174 68.868 0.007 0.000 1.022 244 T HN 0.628 nan 8.240 nan 0.000 0.466 245 L N 2.126 123.337 121.223 -0.020 0.000 2.528 245 L HA 0.321 4.661 4.340 -0.000 0.000 0.267 245 L C -1.095 175.765 176.870 -0.017 0.000 0.961 245 L CA -0.607 54.217 54.840 -0.026 0.000 0.866 245 L CB 1.344 43.383 42.059 -0.032 0.000 1.248 245 L HN 0.867 nan 8.230 nan 0.000 0.404 246 D N 4.392 124.782 120.400 -0.017 0.000 2.735 246 D HA -0.192 4.448 4.640 -0.000 0.000 0.235 246 D C 1.093 177.389 176.300 -0.006 0.000 1.175 246 D CA 1.503 55.496 54.000 -0.012 0.000 0.683 246 D CB -0.572 40.221 40.800 -0.013 0.000 1.008 246 D HN 1.136 nan 8.370 nan 0.000 0.416 247 G N -0.496 108.302 108.800 -0.003 0.000 2.189 247 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.267 247 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.267 247 G C 0.094 174.996 174.900 0.005 0.000 0.975 247 G CA 0.721 45.822 45.100 0.002 0.000 0.644 247 G HN 0.454 nan 8.290 nan 0.000 0.537 248 E N 0.312 120.513 120.200 0.003 0.000 2.238 248 E HA 0.504 4.854 4.350 -0.000 0.000 0.267 248 E C -0.460 176.145 176.600 0.009 0.000 0.887 248 E CA -0.414 55.990 56.400 0.007 0.000 0.769 248 E CB 1.466 31.168 29.700 0.004 0.000 1.187 248 E HN 0.072 nan 8.360 nan 0.000 0.416 249 T N 1.592 116.157 114.554 0.018 0.000 2.723 249 T HA 0.148 4.498 4.350 -0.000 0.000 0.297 249 T C 1.299 176.011 174.700 0.021 0.000 0.925 249 T CA -0.261 61.855 62.100 0.026 0.000 1.030 249 T CB 0.190 69.084 68.868 0.044 0.000 0.905 249 T HN 0.347 nan 8.240 nan 0.000 0.502 250 V N 2.028 121.945 119.914 0.005 0.000 3.660 250 V HA 0.510 4.630 4.120 -0.000 0.000 0.276 250 V C -0.004 176.085 176.094 -0.008 0.000 1.317 250 V CA 0.078 62.377 62.300 -0.002 0.000 1.097 250 V CB -0.225 31.590 31.823 -0.013 0.000 0.863 250 V HN 0.498 nan 8.190 nan 0.000 0.438 251 L N 0.480 121.696 121.223 -0.012 0.000 2.526 251 L HA 0.752 5.092 4.340 -0.000 0.000 0.263 251 L C -0.784 176.179 176.870 0.154 0.000 0.943 251 L CA -0.025 54.801 54.840 -0.024 0.000 0.859 251 L CB 2.077 43.941 42.059 -0.324 0.000 1.313 251 L HN 0.128 nan 8.230 nan 0.000 0.406 252 S N 2.675 118.545 115.700 0.284 0.000 2.776 252 S HA 0.827 5.297 4.470 -0.000 0.000 0.284 252 S C -0.616 174.183 174.600 0.332 0.000 1.160 252 S CA -0.244 58.157 58.200 0.335 0.000 1.051 252 S CB 1.110 64.418 63.200 0.180 0.000 1.037 252 S HN 0.847 nan 8.310 nan 0.000 0.485 253 A N 3.970 126.968 122.820 0.297 0.000 2.438 253 A HA 0.316 4.636 4.320 -0.000 0.000 0.280 253 A C 0.385 178.026 177.584 0.096 0.000 1.160 253 A CA -0.179 51.924 52.037 0.110 0.000 0.821 253 A CB -0.209 18.742 19.000 -0.081 0.000 1.101 253 A HN 0.874 nan 8.150 nan 0.000 0.515 254 E N 2.798 123.045 120.200 0.080 0.000 2.606 254 E HA 0.178 4.528 4.350 -0.000 0.000 0.248 254 E C -0.785 175.807 176.600 -0.012 0.000 1.005 254 E CA 0.274 56.695 56.400 0.035 0.000 0.946 254 E CB 0.133 29.854 29.700 0.036 0.000 0.928 254 E HN 0.620 nan 8.360 nan 0.000 0.494 255 L N 3.985 125.174 121.223 -0.056 0.000 2.334 255 L HA 0.583 4.923 4.340 -0.000 0.000 0.272 255 L C -0.062 176.758 176.870 -0.085 0.000 1.020 255 L CA -0.535 54.231 54.840 -0.123 0.000 0.812 255 L CB 2.217 44.141 42.059 -0.225 0.000 1.264 255 L HN 0.626 nan 8.230 nan 0.000 0.439 256 T N -0.544 113.956 114.554 -0.090 0.000 2.749 256 T HA 0.195 4.545 4.350 -0.000 0.000 0.310 256 T C 0.488 175.151 174.700 -0.063 0.000 1.496 256 T CA -0.158 61.905 62.100 -0.062 0.000 1.006 256 T CB 1.528 70.371 68.868 -0.043 0.000 1.457 256 T HN 0.705 nan 8.240 nan 0.000 0.497 257 G N 0.044 108.816 108.800 -0.046 0.000 2.920 257 G HA2 0.082 4.042 3.960 -0.000 0.000 0.208 257 G HA3 0.082 4.042 3.960 -0.000 0.000 0.208 257 G C 0.495 175.377 174.900 -0.030 0.000 1.159 257 G CA 0.119 45.196 45.100 -0.038 0.000 0.784 257 G HN 0.575 nan 8.290 nan 0.000 0.535 258 E N 1.049 121.230 120.200 -0.032 0.000 2.511 258 E HA 0.158 4.508 4.350 -0.000 0.000 0.214 258 E C -0.237 176.343 176.600 -0.034 0.000 1.062 258 E CA 0.048 56.431 56.400 -0.029 0.000 1.213 258 E CB 0.383 30.066 29.700 -0.028 0.000 1.214 258 E HN 0.548 nan 8.360 nan 0.000 0.441 259 E N 0.852 121.033 120.200 -0.033 0.000 2.212 259 E HA 0.309 4.659 4.350 -0.000 0.000 0.268 259 E C -0.452 176.140 176.600 -0.014 0.000 0.902 259 E CA -0.671 55.711 56.400 -0.030 0.000 0.779 259 E CB 1.993 31.675 29.700 -0.030 0.000 1.172 259 E HN -0.099 nan 8.360 nan 0.000 0.409 260 K N 2.200 122.588 120.400 -0.020 0.000 2.249 260 K HA 0.220 4.540 4.320 -0.000 0.000 0.280 260 K C -0.369 176.256 176.600 0.041 0.000 1.033 260 K CA -0.165 56.119 56.287 -0.005 0.000 0.946 260 K CB 0.812 33.289 32.500 -0.039 0.000 1.005 260 K HN 0.177 nan 8.250 nan 0.000 0.469 261 K N 2.403 122.839 120.400 0.060 0.000 2.227 261 K HA 0.257 4.577 4.320 -0.000 0.000 0.280 261 K C -0.179 176.491 176.600 0.117 0.000 1.041 261 K CA -0.580 55.775 56.287 0.113 0.000 0.905 261 K CB 1.090 33.651 32.500 0.102 0.000 1.068 261 K HN 0.403 nan 8.250 nan 0.000 0.470 262 V N -1.356 118.674 119.914 0.194 0.000 3.158 262 V HA 0.809 4.929 4.120 -0.000 0.000 0.311 262 V C -0.188 176.084 176.094 0.296 0.000 1.181 262 V CA -1.031 61.400 62.300 0.219 0.000 1.054 262 V CB 1.353 33.301 31.823 0.208 0.000 1.085 262 V HN 0.885 nan 8.190 nan 0.000 0.446 263 A N -0.177 122.818 122.820 0.292 0.000 2.416 263 A HA 0.073 4.393 4.320 -0.000 0.000 0.293 263 A C 1.298 178.843 177.584 -0.064 0.000 1.452 263 A CA 1.324 53.443 52.037 0.136 0.000 0.738 263 A CB -1.701 17.442 19.000 0.238 0.000 1.123 263 A HN 2.557 nan 8.150 nan 0.000 0.389 264 A N -0.246 122.553 122.820 -0.035 0.000 2.030 264 A HA 0.383 4.703 4.320 -0.000 0.000 0.215 264 A C 0.937 178.439 177.584 -0.136 0.000 1.164 264 A CA 1.634 53.628 52.037 -0.071 0.000 0.697 264 A CB 0.155 19.155 19.000 0.000 0.000 0.827 264 A HN 0.951 nan 8.150 nan 0.000 0.457 265 Q N -1.652 118.083 119.800 -0.107 0.000 2.379 265 Q HA 0.623 4.963 4.340 -0.000 0.000 0.278 265 Q C -1.773 174.184 176.000 -0.072 0.000 1.068 265 Q CA -0.542 55.208 55.803 -0.088 0.000 0.816 265 Q CB 2.846 31.584 28.738 0.001 0.000 1.387 265 Q HN 0.142 nan 8.270 nan 0.000 0.413 266 V N 1.115 121.006 119.914 -0.039 0.000 2.817 266 V HA 0.805 4.924 4.120 -0.000 0.000 0.303 266 V C -1.693 174.510 176.094 0.181 0.000 1.151 266 V CA -0.088 62.237 62.300 0.041 0.000 0.929 266 V CB 2.124 33.941 31.823 -0.009 0.000 1.030 266 V HN 0.939 nan 8.190 nan 0.000 0.427 267 S N 4.780 120.566 115.700 0.143 0.000 2.607 267 S HA 0.869 5.339 4.470 -0.000 0.000 0.273 267 S C -1.302 173.074 174.600 -0.373 0.000 1.148 267 S CA -0.573 57.580 58.200 -0.078 0.000 0.833 267 S CB 1.749 64.986 63.200 0.062 0.000 1.130 267 S HN 1.630 nan 8.310 nan 0.000 0.470 268 V N 1.333 120.639 119.914 -1.012 0.000 2.735 268 V HA 0.863 4.983 4.120 -0.000 0.000 0.310 268 V C -2.236 173.327 176.094 -0.884 0.000 1.061 268 V CA -0.561 61.212 62.300 -0.879 0.000 0.913 268 V CB 1.508 32.502 31.823 -1.383 0.000 1.005 268 V HN 0.968 nan 8.190 nan 0.000 0.428 269 W N 4.540 125.712 121.300 -0.213 0.000 2.915 269 W HA 0.682 5.342 4.660 -0.000 0.000 0.337 269 W C -0.435 176.167 176.519 0.139 0.000 1.102 269 W CA -0.817 56.535 57.345 0.012 0.000 1.224 269 W CB 1.466 30.927 29.460 0.003 0.000 1.416 269 W HN 0.477 nan 8.180 nan 0.000 0.503 270 L N 4.764 126.292 121.223 0.508 0.000 2.506 270 L HA 0.019 4.359 4.340 -0.000 0.000 0.281 270 L C -0.786 176.209 176.870 0.208 0.000 1.228 270 L CA -0.879 54.219 54.840 0.429 0.000 0.850 270 L CB 0.607 42.905 42.059 0.399 0.000 1.110 270 L HN 0.257 nan 8.230 nan 0.000 0.496 271 P HA 0.050 nan 4.420 nan 0.000 0.245 271 P C 0.419 178.050 177.300 0.552 0.000 1.212 271 P CA 0.633 63.743 63.100 0.017 0.000 0.774 271 P CB 0.557 32.013 31.700 -0.407 0.000 0.999 272 G N -0.958 108.110 108.800 0.448 0.000 2.885 272 G HA2 0.112 4.072 3.960 -0.000 0.000 0.233 272 G HA3 0.112 4.072 3.960 -0.000 0.000 0.233 272 G C -1.023 174.033 174.900 0.260 0.000 2.964 272 G CA -0.621 44.727 45.100 0.413 0.000 0.824 272 G HN 0.058 nan 8.290 nan 0.000 0.441 273 V N 0.992 120.948 119.914 0.070 0.000 2.540 273 V HA 0.743 4.863 4.120 -0.000 0.000 0.302 273 V C 0.146 176.237 176.094 -0.006 0.000 1.035 273 V CA -1.027 61.213 62.300 -0.100 0.000 0.873 273 V CB 1.882 33.483 31.823 -0.370 0.000 0.992 273 V HN 0.518 nan 8.190 nan 0.000 0.428 274 L N 4.195 125.435 121.223 0.028 0.000 2.357 274 L HA 0.638 4.978 4.340 -0.000 0.000 0.273 274 L C -0.156 176.786 176.870 0.120 0.000 1.080 274 L CA 0.151 55.046 54.840 0.091 0.000 0.803 274 L CB 1.246 43.421 42.059 0.193 0.000 1.174 274 L HN 0.742 nan 8.230 nan 0.000 0.443 275 K N 3.518 123.995 120.400 0.128 0.000 2.507 275 K HA 0.691 5.011 4.320 -0.000 0.000 0.252 275 K C -2.113 174.474 176.600 -0.022 0.000 0.943 275 K CA -0.629 55.666 56.287 0.014 0.000 0.808 275 K CB 1.654 34.233 32.500 0.132 0.000 1.142 275 K HN 0.452 nan 8.250 nan 0.000 0.426 276 V N 3.045 122.888 119.914 -0.117 0.000 2.638 276 V HA 0.503 4.623 4.120 -0.000 0.000 0.306 276 V C -1.365 174.698 176.094 -0.051 0.000 1.052 276 V CA -0.731 61.522 62.300 -0.080 0.000 0.885 276 V CB 1.762 33.489 31.823 -0.160 0.000 0.999 276 V HN 1.034 nan 8.190 nan 0.000 0.424 277 D N 3.399 123.797 120.400 -0.004 0.000 2.706 277 D HA 0.557 5.197 4.640 -0.000 0.000 0.225 277 D C -3.366 172.961 176.300 0.044 0.000 1.241 277 D CA -1.600 52.412 54.000 0.021 0.000 0.784 277 D CB 2.361 43.135 40.800 -0.044 0.000 1.521 277 D HN 0.279 nan 8.370 nan 0.000 0.461 278 P HA 0.517 nan 4.420 nan 0.000 0.279 278 P C -1.291 176.093 177.300 0.139 0.000 1.239 278 P CA -0.247 62.878 63.100 0.042 0.000 0.789 278 P CB 0.376 32.084 31.700 0.012 0.000 0.933 279 F N 3.604 123.486 119.950 -0.113 0.000 2.704 279 F HA 0.268 4.795 4.527 -0.000 0.000 0.312 279 F C -2.306 173.381 175.800 -0.187 0.000 1.108 279 F CA -1.684 56.241 58.000 -0.125 0.000 1.005 279 F CB 2.270 41.206 39.000 -0.106 0.000 1.277 279 F HN 0.225 nan 8.300 nan 0.000 0.445 280 P HA 0.115 nan 4.420 nan 0.000 0.257 280 P C -0.889 176.117 177.300 -0.491 0.000 1.325 280 P CA 0.733 63.098 63.100 -1.225 0.000 0.850 280 P CB 0.322 31.453 31.700 -0.948 0.000 1.324 281 D N -0.971 119.215 120.400 -0.356 0.000 2.602 281 D HA 0.300 4.940 4.640 -0.000 0.000 0.236 281 D C -2.185 174.034 176.300 -0.135 0.000 1.209 281 D CA -2.207 51.693 54.000 -0.166 0.000 0.831 281 D CB 1.737 42.426 40.800 -0.186 0.000 1.478 281 D HN -0.386 nan 8.370 nan 0.000 0.438 282 P HA -0.070 nan 4.420 nan 0.000 0.221 282 P C 0.778 178.048 177.300 -0.050 0.000 1.145 282 P CA 1.409 64.490 63.100 -0.030 0.000 0.795 282 P CB 0.072 31.772 31.700 0.001 0.000 0.775 283 T N -4.773 109.740 114.554 -0.067 0.000 3.107 283 T HA 0.223 4.573 4.350 -0.000 0.000 0.249 283 T C 0.452 175.042 174.700 -0.184 0.000 1.096 283 T CA 0.146 62.195 62.100 -0.084 0.000 1.012 283 T CB -0.520 68.343 68.868 -0.008 0.000 0.977 283 T HN -0.073 nan 8.240 nan 0.000 0.527 284 L N 0.055 121.140 121.223 -0.230 0.000 2.303 284 L HA 0.712 5.052 4.340 -0.000 0.000 0.256 284 L C -0.802 175.960 176.870 -0.179 0.000 1.034 284 L CA -1.616 53.061 54.840 -0.271 0.000 0.832 284 L CB 2.326 44.129 42.059 -0.426 0.000 1.403 284 L HN 0.023 nan 8.230 nan 0.000 0.419 285 I N 0.947 121.412 120.570 -0.175 0.000 2.533 285 I HA 0.341 4.511 4.170 -0.000 0.000 0.290 285 I C -0.887 175.098 176.117 -0.221 0.000 1.056 285 I CA -0.408 60.770 61.300 -0.202 0.000 1.057 285 I CB 2.325 40.169 38.000 -0.261 0.000 1.240 285 I HN 0.573 nan 8.210 nan 0.000 0.423 286 Q N 5.120 124.799 119.800 -0.201 0.000 2.322 286 Q HA 0.480 4.820 4.340 -0.000 0.000 0.265 286 Q C -1.956 173.921 176.000 -0.206 0.000 0.985 286 Q CA -0.581 55.174 55.803 -0.080 0.000 0.849 286 Q CB 1.620 30.437 28.738 0.133 0.000 1.274 286 Q HN 0.484 nan 8.270 nan 0.000 0.449 287 Y N 1.453 121.854 120.300 0.169 0.000 2.409 287 Y HA 0.439 4.989 4.550 -0.000 0.000 0.339 287 Y C -0.235 175.731 175.900 0.110 0.000 1.033 287 Y CA -0.673 57.510 58.100 0.139 0.000 1.094 287 Y CB 1.890 40.538 38.460 0.315 0.000 1.210 287 Y HN 0.512 nan 8.280 nan 0.000 0.456 288 E N 2.648 122.888 120.200 0.068 0.000 2.272 288 E HA 0.480 4.830 4.350 -0.000 0.000 0.269 288 E C -1.757 174.589 176.600 -0.422 0.000 0.877 288 E CA -0.779 55.606 56.400 -0.024 0.000 0.755 288 E CB 2.278 32.019 29.700 0.068 0.000 1.192 288 E HN 0.352 nan 8.360 nan 0.000 0.422 289 F N 0.950 120.781 119.950 -0.199 0.000 2.546 289 F HA 0.409 4.936 4.527 -0.000 0.000 0.320 289 F C -0.503 175.181 175.800 -0.194 0.000 1.076 289 F CA -0.783 57.142 58.000 -0.126 0.000 0.928 289 F CB 1.132 40.099 39.000 -0.054 0.000 1.189 289 F HN 0.385 nan 8.300 nan 0.000 0.465 290 Y N 1.356 121.998 120.300 0.571 0.000 2.511 290 Y HA 0.429 4.979 4.550 -0.000 0.000 0.356 290 Y C -0.567 175.607 175.900 0.456 0.000 1.002 290 Y CA -1.074 57.357 58.100 0.551 0.000 1.127 290 Y CB 0.361 38.998 38.460 0.295 0.000 1.137 290 Y HN 0.177 nan 8.280 nan 0.000 0.652 291 V N 3.357 123.574 119.914 0.505 0.000 2.485 291 V HA 0.111 4.231 4.120 -0.000 0.000 0.287 291 V C -2.095 174.100 176.094 0.170 0.000 1.022 291 V CA -1.764 60.660 62.300 0.206 0.000 1.067 291 V CB 0.494 32.410 31.823 0.155 0.000 0.967 291 V HN 0.300 nan 8.190 nan 0.000 0.479 292 P HA 0.210 nan 4.420 nan 0.000 0.268 292 P C 0.519 177.822 177.300 0.005 0.000 1.204 292 P CA 0.286 63.375 63.100 -0.018 0.000 0.768 292 P CB 0.773 32.263 31.700 -0.350 0.000 0.842 293 I N 0.537 121.164 120.570 0.096 0.000 2.900 293 I HA 0.016 4.186 4.170 -0.000 0.000 0.251 293 I C 1.207 177.350 176.117 0.042 0.000 1.102 293 I CA 0.852 62.187 61.300 0.058 0.000 1.457 293 I CB 0.063 38.112 38.000 0.081 0.000 1.285 293 I HN 0.410 nan 8.210 nan 0.000 0.459 294 S N -0.554 115.193 115.700 0.079 0.000 2.851 294 S HA 0.338 4.808 4.470 -0.000 0.000 0.313 294 S C 0.242 174.908 174.600 0.109 0.000 1.163 294 S CA -0.593 57.649 58.200 0.070 0.000 0.850 294 S CB 1.489 64.728 63.200 0.064 0.000 1.245 294 S HN 0.032 nan 8.310 nan 0.000 0.558 295 E N 0.920 121.179 120.200 0.099 0.000 2.268 295 E HA 0.033 4.383 4.350 -0.000 0.000 0.195 295 E C 1.426 178.116 176.600 0.151 0.000 0.995 295 E CA 1.550 58.025 56.400 0.125 0.000 0.836 295 E CB -0.217 29.538 29.700 0.093 0.000 0.763 295 E HN 0.809 nan 8.360 nan 0.000 0.491 296 T N -3.266 111.370 114.554 0.137 0.000 3.084 296 T HA 0.260 4.610 4.350 -0.000 0.000 0.270 296 T C 0.308 175.107 174.700 0.166 0.000 1.008 296 T CA -0.487 61.698 62.100 0.142 0.000 0.900 296 T CB 0.247 69.179 68.868 0.106 0.000 1.084 296 T HN -0.112 nan 8.240 nan 0.000 0.538 297 Q N 1.225 121.138 119.800 0.188 0.000 2.416 297 Q HA 0.510 4.850 4.340 -0.000 0.000 0.281 297 Q C -1.169 175.003 176.000 0.286 0.000 1.067 297 Q CA -1.129 54.787 55.803 0.188 0.000 0.809 297 Q CB 2.144 30.944 28.738 0.103 0.000 1.418 297 Q HN 0.630 nan 8.270 nan 0.000 0.411 298 H N -0.863 118.319 119.070 0.187 0.000 2.985 298 H HA 0.535 5.091 4.556 -0.000 0.000 0.360 298 H C -1.416 174.054 175.328 0.236 0.000 1.221 298 H CA -0.979 55.212 56.048 0.239 0.000 1.121 298 H CB 2.014 31.990 29.762 0.357 0.000 1.854 298 H HN 0.585 nan 8.280 nan 0.000 0.551 299 E N 1.530 121.934 120.200 0.340 0.000 2.081 299 E HA 0.160 4.510 4.350 -0.000 0.000 0.276 299 E C -1.645 175.224 176.600 0.448 0.000 0.950 299 E CA -0.702 55.842 56.400 0.240 0.000 0.776 299 E CB 0.200 30.043 29.700 0.238 0.000 1.094 299 E HN 0.417 nan 8.360 nan 0.000 0.402 300 Y N 6.077 126.460 120.300 0.138 0.000 2.452 300 Y HA 0.340 4.890 4.550 -0.000 0.000 0.348 300 Y C -1.458 174.489 175.900 0.078 0.000 0.985 300 Y CA -1.111 57.117 58.100 0.213 0.000 1.214 300 Y CB -0.104 38.464 38.460 0.180 0.000 1.136 300 Y HN 0.394 nan 8.280 nan 0.000 0.523 301 F N 4.407 124.392 119.950 0.057 0.000 2.421 301 F HA 0.484 5.011 4.527 -0.000 0.000 0.337 301 F C -0.185 175.578 175.800 -0.061 0.000 1.105 301 F CA -0.524 57.485 58.000 0.015 0.000 1.049 301 F CB 1.596 40.660 39.000 0.107 0.000 1.139 301 F HN 0.351 nan 8.300 nan 0.000 0.479 302 Q N 2.731 122.594 119.800 0.105 0.000 2.309 302 Q HA 0.617 4.957 4.340 -0.000 0.000 0.270 302 Q C -1.486 174.699 176.000 0.309 0.000 1.023 302 Q CA -0.678 55.178 55.803 0.089 0.000 0.758 302 Q CB 2.708 31.356 28.738 -0.151 0.000 1.247 302 Q HN 0.399 nan 8.270 nan 0.000 0.455 303 V N 4.041 124.211 119.914 0.427 0.000 2.487 303 V HA 0.472 4.592 4.120 -0.000 0.000 0.298 303 V C -0.447 175.871 176.094 0.372 0.000 1.028 303 V CA -0.731 61.831 62.300 0.437 0.000 0.860 303 V CB 1.548 33.743 31.823 0.620 0.000 0.991 303 V HN 0.659 nan 8.190 nan 0.000 0.427 304 L N 4.274 125.651 121.223 0.257 0.000 2.309 304 L HA 0.614 4.954 4.340 -0.000 0.000 0.282 304 L C -0.136 176.852 176.870 0.197 0.000 1.036 304 L CA -0.309 54.663 54.840 0.219 0.000 0.806 304 L CB 1.689 43.903 42.059 0.258 0.000 1.220 304 L HN 0.681 nan 8.230 nan 0.000 0.429 305 Q N 3.184 123.018 119.800 0.058 0.000 2.322 305 Q HA 0.481 4.821 4.340 -0.000 0.000 0.265 305 Q C -1.000 174.804 176.000 -0.327 0.000 0.985 305 Q CA -0.888 54.870 55.803 -0.076 0.000 0.849 305 Q CB 2.032 30.820 28.738 0.083 0.000 1.274 305 Q HN 0.464 nan 8.270 nan 0.000 0.449 306 R N 2.781 122.924 120.500 -0.594 0.000 2.534 306 R HA 0.349 4.689 4.340 -0.000 0.000 0.301 306 R C -1.574 174.503 176.300 -0.372 0.000 0.961 306 R CA -0.590 55.088 56.100 -0.703 0.000 0.871 306 R CB 1.285 30.653 30.300 -1.553 0.000 1.170 306 R HN 0.505 nan 8.270 nan 0.000 0.446 307 K N 3.691 123.948 120.400 -0.239 0.000 2.339 307 K HA 0.348 4.668 4.320 -0.000 0.000 0.286 307 K C -0.655 175.877 176.600 -0.114 0.000 1.050 307 K CA -0.505 55.699 56.287 -0.138 0.000 0.956 307 K CB 0.628 33.070 32.500 -0.096 0.000 0.990 307 K HN 0.514 nan 8.250 nan 0.000 0.475 308 V N 1.026 120.896 119.914 -0.074 0.000 2.769 308 V HA 0.398 4.518 4.120 -0.000 0.000 0.312 308 V C 0.083 176.159 176.094 -0.029 0.000 1.061 308 V CA -0.534 61.738 62.300 -0.046 0.000 0.931 308 V CB 1.802 33.606 31.823 -0.031 0.000 1.010 308 V HN 0.931 nan 8.190 nan 0.000 0.433 309 E N 2.571 122.758 120.200 -0.021 0.000 2.431 309 E HA 0.505 4.855 4.350 -0.000 0.000 0.200 309 E C 0.783 177.376 176.600 -0.013 0.000 0.995 309 E CA 0.694 57.085 56.400 -0.015 0.000 0.915 309 E CB 1.121 30.815 29.700 -0.011 0.000 0.930 309 E HN 1.084 nan 8.360 nan 0.000 0.496 310 G N 0.450 109.241 108.800 -0.015 0.000 2.430 310 G HA2 0.131 4.091 3.960 -0.000 0.000 0.300 310 G HA3 0.131 4.091 3.960 -0.000 0.000 0.300 310 G C -2.548 172.338 174.900 -0.024 0.000 1.330 310 G CA -0.917 44.174 45.100 -0.015 0.000 0.813 310 G HN -0.313 nan 8.290 nan 0.000 0.487 311 P HA -0.055 nan 4.420 nan 0.000 0.218 311 P C 1.376 178.656 177.300 -0.033 0.000 1.146 311 P CA 1.524 64.603 63.100 -0.036 0.000 0.813 311 P CB 0.379 32.065 31.700 -0.023 0.000 0.778 312 E N -0.304 119.887 120.200 -0.016 0.000 2.047 312 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 312 E C 1.398 178.003 176.600 0.008 0.000 0.987 312 E CA 1.072 57.470 56.400 -0.004 0.000 0.799 312 E CB -0.317 29.384 29.700 0.002 0.000 0.752 312 E HN 0.151 nan 8.360 nan 0.000 0.449 313 D N 0.246 120.650 120.400 0.007 0.000 2.144 313 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 313 D C 2.084 178.415 176.300 0.051 0.000 0.984 313 D CA 0.879 54.896 54.000 0.029 0.000 0.834 313 D CB -0.074 40.730 40.800 0.007 0.000 0.955 313 D HN 0.128 nan 8.370 nan 0.000 0.465 314 V N 1.669 121.571 119.914 -0.020 0.000 2.261 314 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 314 V C 2.565 178.643 176.094 -0.026 0.000 1.047 314 V CA 1.631 63.868 62.300 -0.105 0.000 1.015 314 V CB -0.526 31.103 31.823 -0.324 0.000 0.642 314 V HN 0.193 nan 8.190 nan 0.000 0.446 315 K N -0.014 120.368 120.400 -0.030 0.000 2.044 315 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 315 K C 2.102 178.730 176.600 0.046 0.000 1.049 315 K CA 2.339 58.623 56.287 -0.004 0.000 0.927 315 K CB -0.501 31.996 32.500 -0.006 0.000 0.713 315 K HN 0.523 nan 8.250 nan 0.000 0.443 316 T N 1.099 115.701 114.554 0.079 0.000 2.788 316 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 316 T C 1.411 176.241 174.700 0.217 0.000 1.044 316 T CA 1.332 63.502 62.100 0.116 0.000 1.139 316 T CB -0.359 68.576 68.868 0.113 0.000 0.867 316 T HN 0.290 nan 8.240 nan 0.000 0.454 317 F N 2.261 122.263 119.950 0.088 0.000 2.146 317 F HA -0.003 4.524 4.527 -0.000 0.000 0.298 317 F C 2.120 178.042 175.800 0.202 0.000 1.096 317 F CA 1.010 59.115 58.000 0.176 0.000 1.275 317 F CB -0.509 38.570 39.000 0.130 0.000 1.008 317 F HN 0.211 nan 8.300 nan 0.000 0.480 318 E N -0.253 119.928 120.200 -0.033 0.000 2.077 318 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 318 E C 2.331 178.917 176.600 -0.023 0.000 0.989 318 E CA 1.593 57.914 56.400 -0.131 0.000 0.800 318 E CB -0.416 29.243 29.700 -0.069 0.000 0.746 318 E HN 0.306 nan 8.360 nan 0.000 0.452 319 V N 1.743 121.664 119.914 0.013 0.000 2.358 319 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 319 V C 2.022 178.103 176.094 -0.021 0.000 1.047 319 V CA 1.822 64.124 62.300 0.002 0.000 1.035 319 V CB -0.478 31.347 31.823 0.004 0.000 0.658 319 V HN 0.231 nan 8.190 nan 0.000 0.452 320 E N -0.486 119.719 120.200 0.008 0.000 2.110 320 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 320 E C 2.064 178.555 176.600 -0.181 0.000 0.988 320 E CA 1.435 57.750 56.400 -0.142 0.000 0.804 320 E CB -0.249 29.448 29.700 -0.005 0.000 0.745 320 E HN 0.589 nan 8.360 nan 0.000 0.458 321 F N 2.295 122.194 119.950 -0.087 0.000 2.069 321 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 321 F C 2.412 178.150 175.800 -0.104 0.000 1.113 321 F CA 1.941 59.913 58.000 -0.045 0.000 1.214 321 F CB -0.051 38.775 39.000 -0.291 0.000 0.978 321 F HN -0.100 nan 8.300 nan 0.000 0.474 322 E N 0.494 120.691 120.200 -0.006 0.000 2.077 322 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 322 E C 1.859 178.375 176.600 -0.139 0.000 0.989 322 E CA 2.042 58.394 56.400 -0.080 0.000 0.800 322 E CB -0.333 29.360 29.700 -0.013 0.000 0.746 322 E HN 0.632 nan 8.360 nan 0.000 0.452 323 E N -0.956 119.157 120.200 -0.145 0.000 2.400 323 E HA 0.089 4.439 4.350 -0.000 0.000 0.195 323 E C 1.914 178.393 176.600 -0.202 0.000 1.012 323 E CA 0.217 56.526 56.400 -0.151 0.000 0.875 323 E CB 0.521 30.143 29.700 -0.129 0.000 0.859 323 E HN 0.081 nan 8.360 nan 0.000 0.498 324 R N -0.532 119.785 120.500 -0.304 0.000 3.749 324 R HA 0.056 4.396 4.340 -0.000 0.000 0.142 324 R C 1.229 177.348 176.300 -0.302 0.000 0.750 324 R CA 0.029 55.923 56.100 -0.343 0.000 1.004 324 R CB -0.416 29.550 30.300 -0.557 0.000 1.509 324 R HN 0.057 nan 8.270 nan 0.000 0.494 325 W N 2.008 123.188 121.300 -0.200 0.000 2.301 325 W HA -0.214 4.446 4.660 -0.000 0.000 0.325 325 W C 2.434 178.629 176.519 -0.539 0.000 1.250 325 W CA 1.408 58.553 57.345 -0.332 0.000 1.261 325 W CB -0.357 29.039 29.460 -0.106 0.000 1.157 325 W HN 0.235 nan 8.180 nan 0.000 0.473 326 R N 0.679 120.827 120.500 -0.587 0.000 2.097 326 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 326 R C 1.716 177.830 176.300 -0.310 0.000 1.135 326 R CA 2.469 58.135 56.100 -0.723 0.000 0.934 326 R CB -0.576 29.090 30.300 -1.058 0.000 0.846 326 R HN 0.082 nan 8.270 nan 0.000 0.431 327 D N -0.087 120.198 120.400 -0.191 0.000 2.183 327 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 327 D C 1.378 177.658 176.300 -0.033 0.000 0.962 327 D CA 0.896 54.884 54.000 -0.019 0.000 0.849 327 D CB -0.224 40.553 40.800 -0.037 0.000 0.978 327 D HN 0.292 nan 8.370 nan 0.000 0.488 328 D N 0.285 120.614 120.400 -0.120 0.000 2.194 328 D HA 0.015 4.655 4.640 -0.000 0.000 0.204 328 D C 1.693 177.783 176.300 -0.351 0.000 0.964 328 D CA 0.816 54.768 54.000 -0.080 0.000 0.846 328 D CB 0.288 41.137 40.800 0.080 0.000 0.962 328 D HN 0.154 nan 8.370 nan 0.000 0.490 329 A N 0.119 122.550 122.820 -0.648 0.000 2.010 329 A HA 0.170 4.490 4.320 -0.000 0.000 0.210 329 A C 2.140 179.565 177.584 -0.265 0.000 1.479 329 A CA -0.162 51.389 52.037 -0.810 0.000 0.748 329 A CB -0.597 17.654 19.000 -1.248 0.000 1.125 329 A HN 0.055 nan 8.150 nan 0.000 0.522 330 L N -0.409 120.667 121.223 -0.245 0.000 2.129 330 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 330 L C 2.498 179.246 176.870 -0.204 0.000 1.087 330 L CA 1.359 56.083 54.840 -0.193 0.000 0.757 330 L CB -0.614 41.266 42.059 -0.298 0.000 0.896 330 L HN 0.504 nan 8.230 nan 0.000 0.434 331 H N -1.237 117.814 119.070 -0.030 0.000 2.367 331 H HA 0.119 4.675 4.556 -0.000 0.000 0.304 331 H C 2.201 177.561 175.328 0.054 0.000 1.023 331 H CA 1.027 57.090 56.048 0.024 0.000 1.342 331 H CB -0.470 29.285 29.762 -0.010 0.000 1.486 331 H HN 0.183 nan 8.280 nan 0.000 0.596 332 G N 0.115 109.010 108.800 0.159 0.000 2.475 332 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 332 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 332 G C 1.516 176.531 174.900 0.193 0.000 1.125 332 G CA 0.987 46.181 45.100 0.157 0.000 0.755 332 G HN 0.328 nan 8.290 nan 0.000 0.565 333 F N 0.588 120.536 119.950 -0.002 0.000 2.399 333 F HA 0.266 4.793 4.527 -0.000 0.000 0.282 333 F C 2.233 178.049 175.800 0.027 0.000 1.027 333 F CA 0.660 58.664 58.000 0.007 0.000 1.333 333 F CB 0.102 39.041 39.000 -0.102 0.000 1.132 333 F HN 0.100 nan 8.300 nan 0.000 0.590 334 N N 0.143 118.975 118.700 0.220 0.000 2.463 334 N HA -0.108 4.632 4.740 -0.000 0.000 0.181 334 N C 0.918 176.569 175.510 0.234 0.000 1.078 334 N CA 0.616 53.811 53.050 0.242 0.000 0.902 334 N CB -0.050 38.672 38.487 0.391 0.000 0.970 334 N HN 0.151 nan 8.380 nan 0.000 0.451 335 D N 1.242 121.773 120.400 0.219 0.000 2.158 335 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 335 D C 1.176 177.587 176.300 0.184 0.000 0.995 335 D CA 1.117 55.266 54.000 0.248 0.000 0.846 335 D CB -0.194 40.765 40.800 0.266 0.000 0.941 335 D HN 0.240 nan 8.370 nan 0.000 0.456 336 D N 0.490 120.959 120.400 0.115 0.000 2.218 336 D HA -0.110 4.529 4.640 -0.000 0.000 0.204 336 D C 1.380 177.337 176.300 -0.571 0.000 0.976 336 D CA 0.594 54.478 54.000 -0.193 0.000 0.853 336 D CB -0.153 40.591 40.800 -0.094 0.000 0.939 336 D HN 0.253 nan 8.370 nan 0.000 0.481 337 D N 0.142 120.457 120.400 -0.141 0.000 2.263 337 D HA -0.088 4.552 4.640 -0.000 0.000 0.208 337 D C 2.190 178.364 176.300 -0.210 0.000 0.971 337 D CA 0.227 54.133 54.000 -0.156 0.000 0.867 337 D CB 0.286 41.112 40.800 0.044 0.000 0.929 337 D HN 0.101 nan 8.370 nan 0.000 0.492 338 V N 1.642 121.493 119.914 -0.106 0.000 2.270 338 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 338 V C 2.403 178.529 176.094 0.053 0.000 1.043 338 V CA 1.635 63.937 62.300 0.004 0.000 1.014 338 V CB -0.723 31.185 31.823 0.141 0.000 0.645 338 V HN 0.446 nan 8.190 nan 0.000 0.447 339 W N 0.567 121.900 121.300 0.054 0.000 2.595 339 W HA 0.148 4.808 4.660 -0.000 0.000 0.257 339 W C 2.082 178.620 176.519 0.032 0.000 1.267 339 W CA 0.782 58.152 57.345 0.041 0.000 1.300 339 W CB -0.876 28.606 29.460 0.037 0.000 1.120 339 W HN 0.264 nan 8.180 nan 0.000 0.618 340 A N 2.092 124.700 122.820 -0.354 0.000 1.930 340 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 340 A C 2.242 179.772 177.584 -0.089 0.000 1.175 340 A CA 1.473 53.317 52.037 -0.322 0.000 0.627 340 A CB -0.673 18.008 19.000 -0.532 0.000 0.815 340 A HN 0.290 nan 8.150 nan 0.000 0.443 341 R N -0.135 120.318 120.500 -0.078 0.000 2.066 341 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 341 R C 2.035 178.367 176.300 0.054 0.000 1.131 341 R CA 1.518 57.602 56.100 -0.026 0.000 0.955 341 R CB -0.361 29.950 30.300 0.019 0.000 0.851 341 R HN 0.655 nan 8.270 nan 0.000 0.432 342 E N 0.763 121.026 120.200 0.104 0.000 2.204 342 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 342 E C 1.823 178.506 176.600 0.138 0.000 0.990 342 E CA 1.024 57.503 56.400 0.131 0.000 0.821 342 E CB -0.080 29.712 29.700 0.152 0.000 0.750 342 E HN 0.360 nan 8.360 nan 0.000 0.477 343 A N 0.916 123.833 122.820 0.162 0.000 2.168 343 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 343 A C 1.810 179.471 177.584 0.130 0.000 1.152 343 A CA 0.895 53.028 52.037 0.161 0.000 0.716 343 A CB -0.074 19.061 19.000 0.225 0.000 0.794 343 A HN 0.173 nan 8.150 nan 0.000 0.465 344 Q N -1.644 118.231 119.800 0.125 0.000 2.352 344 Q HA -0.013 4.327 4.340 -0.000 0.000 0.212 344 Q C 1.869 178.002 176.000 0.222 0.000 0.888 344 Q CA 0.433 56.353 55.803 0.194 0.000 0.934 344 Q CB 0.123 28.937 28.738 0.128 0.000 1.093 344 Q HN 0.604 nan 8.270 nan 0.000 0.523 345 Q N 2.131 122.015 119.800 0.141 0.000 2.077 345 Q HA -0.251 4.089 4.340 -0.000 0.000 0.206 345 Q C 1.720 177.797 176.000 0.128 0.000 0.989 345 Q CA 1.972 57.849 55.803 0.124 0.000 0.853 345 Q CB -0.019 28.785 28.738 0.110 0.000 0.907 345 Q HN 0.454 nan 8.270 nan 0.000 0.418 346 E N -1.416 118.862 120.200 0.130 0.000 2.051 346 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 346 E C 1.755 178.430 176.600 0.124 0.000 0.991 346 E CA 1.055 57.521 56.400 0.111 0.000 0.799 346 E CB -0.346 29.415 29.700 0.101 0.000 0.748 346 E HN 0.429 nan 8.360 nan 0.000 0.449 347 F N 0.390 120.324 119.950 -0.028 0.000 2.051 347 F HA -0.217 4.310 4.527 -0.000 0.000 0.296 347 F C 1.764 177.419 175.800 -0.242 0.000 1.122 347 F CA 1.705 59.621 58.000 -0.140 0.000 1.201 347 F CB -0.670 38.219 39.000 -0.185 0.000 0.978 347 F HN 0.081 nan 8.300 nan 0.000 0.472 348 Y N -0.299 119.803 120.300 -0.330 0.000 2.337 348 Y HA 0.102 4.652 4.550 -0.000 0.000 0.293 348 Y C 2.640 178.359 175.900 -0.302 0.000 1.123 348 Y CA 1.113 58.827 58.100 -0.643 0.000 1.201 348 Y CB -0.961 36.986 38.460 -0.854 0.000 1.011 348 Y HN 0.133 nan 8.280 nan 0.000 0.545 349 G N -0.223 108.598 108.800 0.035 0.000 2.551 349 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.216 349 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.216 349 G C 1.034 175.967 174.900 0.056 0.000 1.137 349 G CA 0.952 46.105 45.100 0.087 0.000 0.798 349 G HN 0.558 nan 8.290 nan 0.000 0.536 350 E N -1.609 118.596 120.200 0.009 0.000 2.703 350 E HA 0.172 4.522 4.350 -0.000 0.000 0.214 350 E C 1.338 177.922 176.600 -0.026 0.000 0.944 350 E CA -0.432 55.973 56.400 0.008 0.000 1.299 350 E CB 0.117 29.834 29.700 0.029 0.000 1.189 350 E HN 0.233 nan 8.360 nan 0.000 0.597 351 R N 1.611 122.055 120.500 -0.095 0.000 2.577 351 R HA 0.054 4.394 4.340 -0.000 0.000 0.344 351 R C -0.530 175.609 176.300 -0.269 0.000 1.037 351 R CA 0.396 56.426 56.100 -0.117 0.000 1.102 351 R CB 0.091 30.380 30.300 -0.018 0.000 1.313 351 R HN 0.042 nan 8.270 nan 0.000 0.561 352 D N -0.940 119.308 120.400 -0.253 0.000 2.708 352 D HA -0.154 4.486 4.640 -0.000 0.000 0.236 352 D C 0.919 176.887 176.300 -0.553 0.000 1.146 352 D CA 0.981 54.837 54.000 -0.239 0.000 0.662 352 D CB -0.933 39.802 40.800 -0.109 0.000 1.059 352 D HN 0.538 nan 8.370 nan 0.000 0.428 353 G N -0.953 107.153 108.800 -1.157 0.000 2.479 353 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 353 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 353 G C 1.284 175.485 174.900 -1.164 0.000 1.115 353 G CA 0.819 44.608 45.100 -2.185 0.000 0.757 353 G HN 0.568 nan 8.290 nan 0.000 0.560 354 W N 0.807 121.905 121.300 -0.336 0.000 2.465 354 W HA 0.101 4.761 4.660 -0.000 0.000 0.268 354 W C 2.563 179.119 176.519 0.061 0.000 1.242 354 W CA 0.836 58.230 57.345 0.080 0.000 1.248 354 W CB 0.219 29.790 29.460 0.184 0.000 1.118 354 W HN 0.118 nan 8.180 nan 0.000 0.587 355 S N -0.850 114.918 115.700 0.114 0.000 2.505 355 S HA 0.063 4.533 4.470 -0.000 0.000 0.216 355 S C 1.347 175.966 174.600 0.031 0.000 1.018 355 S CA 0.167 58.418 58.200 0.085 0.000 0.911 355 S CB 0.168 63.397 63.200 0.047 0.000 0.818 355 S HN 0.220 nan 8.310 nan 0.000 0.497 356 K N 1.569 121.931 120.400 -0.063 0.000 2.354 356 K HA 0.100 4.420 4.320 -0.000 0.000 0.194 356 K C 0.358 177.068 176.600 0.183 0.000 1.045 356 K CA 0.035 56.346 56.287 0.039 0.000 1.026 356 K CB 0.307 32.826 32.500 0.032 0.000 0.866 356 K HN 0.551 nan 8.250 nan 0.000 0.530 357 E N 1.785 122.083 120.200 0.163 0.000 2.436 357 E HA -0.064 4.286 4.350 -0.000 0.000 0.262 357 E C -0.656 176.055 176.600 0.185 0.000 1.063 357 E CA 0.283 56.833 56.400 0.249 0.000 0.944 357 E CB 0.342 30.205 29.700 0.272 0.000 0.950 357 E HN 0.008 nan 8.360 nan 0.000 0.444 358 Q N 2.324 122.212 119.800 0.146 0.000 2.394 358 Q HA 0.316 4.656 4.340 -0.000 0.000 0.261 358 Q C -0.703 175.383 176.000 0.143 0.000 1.023 358 Q CA -0.331 55.543 55.803 0.119 0.000 0.720 358 Q CB 1.293 30.066 28.738 0.059 0.000 1.241 358 Q HN 0.486 nan 8.270 nan 0.000 0.483 359 L N 2.341 123.684 121.223 0.200 0.000 2.468 359 L HA 0.552 4.892 4.340 -0.000 0.000 0.254 359 L C -0.077 176.991 176.870 0.330 0.000 1.171 359 L CA -0.711 54.292 54.840 0.272 0.000 0.809 359 L CB 0.145 42.347 42.059 0.238 0.000 1.155 359 L HN 0.448 nan 8.230 nan 0.000 0.473 360 F N -1.524 118.448 119.950 0.036 0.000 2.620 360 F HA 0.602 5.129 4.527 -0.000 0.000 0.320 360 F C -2.385 173.423 175.800 0.014 0.000 1.069 360 F CA -2.914 55.097 58.000 0.018 0.000 0.953 360 F CB -0.149 38.851 39.000 0.001 0.000 1.322 360 F HN 0.133 nan 8.300 nan 0.000 0.479 361 P HA -0.212 nan 4.420 nan 0.000 0.224 361 P C -1.516 175.546 177.300 -0.395 0.000 1.153 361 P CA 3.329 66.280 63.100 -0.249 0.000 0.947 361 P CB -1.192 30.399 31.700 -0.181 0.000 0.790 362 P HA -0.162 nan 4.420 nan 0.000 0.217 362 P C 0.815 177.907 177.300 -0.347 0.000 1.148 362 P CA 1.537 64.332 63.100 -0.507 0.000 0.828 362 P CB -0.543 30.747 31.700 -0.683 0.000 0.783 363 D N -1.970 118.221 120.400 -0.348 0.000 2.378 363 D HA -0.043 4.597 4.640 -0.000 0.000 0.227 363 D C 1.549 177.793 176.300 -0.094 0.000 1.012 363 D CA 0.513 54.431 54.000 -0.137 0.000 0.905 363 D CB -0.331 40.478 40.800 0.016 0.000 0.895 363 D HN 0.104 nan 8.370 nan 0.000 0.532 364 M N 0.751 120.286 119.600 -0.108 0.000 2.279 364 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 364 M C 2.227 178.507 176.300 -0.034 0.000 1.062 364 M CA 0.829 56.098 55.300 -0.053 0.000 1.099 364 M CB -0.651 31.914 32.600 -0.059 0.000 1.394 364 M HN 0.310 nan 8.290 nan 0.000 0.426 365 C N -1.811 117.442 119.300 -0.077 0.000 2.435 365 C HA -0.029 4.431 4.460 -0.000 0.000 0.279 365 C C 2.481 177.563 174.990 0.154 0.000 1.321 365 C CA 0.143 59.150 59.018 -0.019 0.000 1.752 365 C CB -1.636 25.907 27.740 -0.328 0.000 1.959 365 C HN 0.525 nan 8.230 nan 0.000 0.500 366 I N 1.358 121.933 120.570 0.009 0.000 2.315 366 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 366 I C 2.785 178.904 176.117 0.003 0.000 1.117 366 I CA 1.225 62.608 61.300 0.137 0.000 1.404 366 I CB -0.321 37.698 38.000 0.031 0.000 1.071 366 I HN 0.197 nan 8.210 nan 0.000 0.419 367 V N 1.077 120.936 119.914 -0.092 0.000 2.343 367 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 367 V C 2.397 178.387 176.094 -0.173 0.000 1.051 367 V CA 1.833 63.991 62.300 -0.237 0.000 1.036 367 V CB -0.661 31.147 31.823 -0.026 0.000 0.654 367 V HN 0.398 nan 8.190 nan 0.000 0.451 368 K N -0.612 119.774 120.400 -0.023 0.000 2.057 368 K HA -0.218 4.102 4.320 -0.000 0.000 0.207 368 K C 2.086 178.662 176.600 -0.040 0.000 1.049 368 K CA 1.891 58.176 56.287 -0.003 0.000 0.931 368 K CB -0.334 32.195 32.500 0.048 0.000 0.714 368 K HN 0.744 nan 8.250 nan 0.000 0.440 369 W N 2.788 124.003 121.300 -0.140 0.000 2.355 369 W HA -0.189 4.471 4.660 -0.000 0.000 0.309 369 W C 1.422 177.710 176.519 -0.384 0.000 1.206 369 W CA 1.191 58.399 57.345 -0.227 0.000 1.284 369 W CB -0.157 29.194 29.460 -0.181 0.000 1.145 369 W HN -0.033 nan 8.180 nan 0.000 0.502 370 R N 0.085 119.948 120.500 -1.061 0.000 2.096 370 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 370 R C 2.220 178.031 176.300 -0.815 0.000 1.127 370 R CA 2.163 57.305 56.100 -1.596 0.000 0.968 370 R CB -1.099 28.128 30.300 -1.789 0.000 0.861 370 R HN 0.149 nan 8.270 nan 0.000 0.440 371 T N 2.082 116.401 114.554 -0.392 0.000 2.737 371 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 371 T C 1.839 176.444 174.700 -0.158 0.000 1.038 371 T CA 1.035 63.094 62.100 -0.068 0.000 1.144 371 T CB -0.203 68.693 68.868 0.046 0.000 0.866 371 T HN 0.108 nan 8.240 nan 0.000 0.434 372 L N 1.388 122.468 121.223 -0.238 0.000 2.056 372 L HA 0.145 4.485 4.340 -0.000 0.000 0.207 372 L C 2.553 179.246 176.870 -0.296 0.000 1.078 372 L CA 1.784 56.497 54.840 -0.212 0.000 0.749 372 L CB -0.877 41.085 42.059 -0.162 0.000 0.901 372 L HN 0.202 nan 8.230 nan 0.000 0.433 373 A N -1.466 121.019 122.820 -0.558 0.000 1.930 373 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 373 A C 2.512 179.924 177.584 -0.286 0.000 1.175 373 A CA 1.736 53.415 52.037 -0.597 0.000 0.627 373 A CB -1.107 17.220 19.000 -1.122 0.000 0.815 373 A HN 0.528 nan 8.150 nan 0.000 0.443 374 S N -0.868 114.759 115.700 -0.121 0.000 2.382 374 S HA -0.161 4.309 4.470 -0.000 0.000 0.228 374 S C 1.952 176.564 174.600 0.019 0.000 1.027 374 S CA 1.599 59.858 58.200 0.098 0.000 0.991 374 S CB -0.287 63.012 63.200 0.165 0.000 0.823 374 S HN 0.567 nan 8.310 nan 0.000 0.469 375 E N 0.439 120.609 120.200 -0.050 0.000 2.086 375 E HA 0.089 4.439 4.350 -0.000 0.000 0.190 375 E C 2.102 178.668 176.600 -0.055 0.000 0.975 375 E CA 0.617 56.992 56.400 -0.042 0.000 0.813 375 E CB -0.066 29.602 29.700 -0.053 0.000 0.768 375 E HN 0.333 nan 8.360 nan 0.000 0.457 376 R N 0.270 120.709 120.500 -0.101 0.000 2.290 376 R HA 0.156 4.496 4.340 -0.000 0.000 0.197 376 R C 0.868 177.178 176.300 0.017 0.000 0.913 376 R CA 0.172 56.257 56.100 -0.025 0.000 1.040 376 R CB -0.333 29.932 30.300 -0.058 0.000 0.992 376 R HN -0.020 nan 8.270 nan 0.000 0.500 377 G N 1.214 109.804 108.800 -0.350 0.000 2.265 377 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.240 377 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.240 377 G C 0.628 175.489 174.900 -0.066 0.000 1.270 377 G CA -0.290 44.430 45.100 -0.634 0.000 0.901 377 G HN 0.229 nan 8.290 nan 0.000 0.507 378 R N 1.661 122.242 120.500 0.135 0.000 2.276 378 R HA 0.118 4.458 4.340 -0.000 0.000 0.203 378 R C 1.115 177.431 176.300 0.027 0.000 1.017 378 R CA 0.750 56.827 56.100 -0.038 0.000 1.010 378 R CB 0.276 30.354 30.300 -0.370 0.000 0.900 378 R HN 0.578 nan 8.270 nan 0.000 0.469 379 G N -0.185 108.705 108.800 0.151 0.000 2.716 379 G HA2 0.331 4.291 3.960 -0.000 0.000 0.299 379 G HA3 0.331 4.291 3.960 -0.000 0.000 0.299 379 G C -1.493 173.600 174.900 0.322 0.000 1.450 379 G CA -0.650 44.556 45.100 0.176 0.000 0.968 379 G HN -0.093 nan 8.290 nan 0.000 0.566 380 V N 1.670 121.732 119.914 0.248 0.000 2.407 380 V HA 0.618 4.738 4.120 -0.000 0.000 0.278 380 V C 0.457 176.616 176.094 0.108 0.000 1.037 380 V CA -0.630 61.809 62.300 0.231 0.000 0.900 380 V CB 1.492 33.432 31.823 0.194 0.000 0.983 380 V HN 0.734 nan 8.190 nan 0.000 0.459 381 R N 3.700 124.231 120.500 0.052 0.000 2.320 381 R HA 0.696 5.036 4.340 -0.000 0.000 0.319 381 R C -0.025 176.273 176.300 -0.004 0.000 0.969 381 R CA -0.219 55.888 56.100 0.012 0.000 0.857 381 R CB 1.170 31.459 30.300 -0.019 0.000 1.160 381 R HN 0.865 nan 8.270 nan 0.000 0.491 382 A N 0.000 122.826 122.820 0.010 0.000 2.254 382 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 382 A CA 0.000 52.043 52.037 0.009 0.000 0.836 382 A CB 0.000 19.009 19.000 0.015 0.000 0.831 382 A HN 0.000 nan 8.150 nan 0.000 0.486