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_C 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 0.000 174.398 174.600 -0.336 0.000 1.055 16 S CA 0.000 58.107 58.200 -0.156 0.000 1.107 16 S CB 0.000 63.145 63.200 -0.092 0.000 0.593 17 A N 0.769 123.428 122.820 -0.269 0.000 1.841 17 A HA -0.003 4.317 4.320 -0.000 0.000 0.214 17 A C 1.983 179.225 177.584 -0.571 0.000 1.195 17 A CA 2.203 53.957 52.037 -0.472 0.000 0.611 17 A CB -1.526 17.518 19.000 0.075 0.000 0.835 17 A HN 0.908 nan 8.150 nan 0.000 0.443 18 Q N -0.373 119.278 119.800 -0.249 0.000 2.615 18 Q HA -0.023 4.317 4.340 -0.000 0.000 0.220 18 Q C 0.989 176.866 176.000 -0.204 0.000 0.981 18 Q CA 1.297 56.992 55.803 -0.179 0.000 0.939 18 Q CB -0.295 28.392 28.738 -0.084 0.000 0.982 18 Q HN 0.398 nan 8.270 nan 0.000 0.550 19 V N -1.272 118.458 119.914 -0.306 0.000 3.484 19 V HA 0.130 4.250 4.120 -0.000 0.000 0.252 19 V C 1.509 177.439 176.094 -0.274 0.000 1.282 19 V CA 0.774 62.931 62.300 -0.239 0.000 1.104 19 V CB 0.414 32.119 31.823 -0.196 0.000 0.868 19 V HN 0.071 nan 8.190 nan 0.000 0.457 20 K N 0.486 120.587 120.400 -0.498 0.000 2.313 20 K HA 0.046 4.366 4.320 -0.000 0.000 0.197 20 K C 0.524 177.051 176.600 -0.121 0.000 1.061 20 K CA 0.653 56.720 56.287 -0.366 0.000 0.980 20 K CB 0.262 32.452 32.500 -0.517 0.000 0.888 20 K HN 0.636 nan 8.250 nan 0.000 0.502 21 W N -0.180 121.106 121.300 -0.023 0.000 1.259 21 W HA 0.468 5.128 4.660 -0.000 0.000 0.299 21 W C -2.259 174.268 176.519 0.013 0.000 0.843 21 W CA -1.819 55.509 57.345 -0.029 0.000 2.171 21 W CB -0.061 29.339 29.460 -0.100 0.000 1.945 21 W HN -0.159 nan 8.180 nan 0.000 0.493 22 P HA -0.244 nan 4.420 nan 0.000 0.215 22 P C 1.376 178.729 177.300 0.087 0.000 1.153 22 P CA 1.985 65.100 63.100 0.025 0.000 0.853 22 P CB 0.341 32.032 31.700 -0.016 0.000 0.788 23 R N -1.818 118.770 120.500 0.147 0.000 2.189 23 R HA -0.113 4.227 4.340 -0.000 0.000 0.218 23 R C 2.502 178.950 176.300 0.246 0.000 1.074 23 R CA 0.832 57.047 56.100 0.192 0.000 0.991 23 R CB -0.778 29.669 30.300 0.245 0.000 0.883 23 R HN 0.277 nan 8.270 nan 0.000 0.457 24 Y N 1.275 121.656 120.300 0.135 0.000 2.263 24 Y HA -0.056 4.494 4.550 -0.000 0.000 0.292 24 Y C 1.897 177.673 175.900 -0.206 0.000 1.130 24 Y CA 1.132 59.249 58.100 0.030 0.000 1.179 24 Y CB -0.090 38.347 38.460 -0.039 0.000 0.998 24 Y HN -0.095 nan 8.280 nan 0.000 0.532 25 L N -0.239 120.916 121.223 -0.114 0.000 2.217 25 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 25 L C 2.011 178.706 176.870 -0.292 0.000 1.107 25 L CA 1.415 56.029 54.840 -0.377 0.000 0.783 25 L CB -0.445 41.500 42.059 -0.190 0.000 0.919 25 L HN 0.257 nan 8.230 nan 0.000 0.442 26 E N 0.567 120.677 120.200 -0.150 0.000 2.216 26 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 26 E C 1.417 177.938 176.600 -0.131 0.000 0.988 26 E CA 0.603 56.944 56.400 -0.099 0.000 0.834 26 E CB 0.007 29.691 29.700 -0.026 0.000 0.772 26 E HN 0.373 nan 8.360 nan 0.000 0.479 27 A N 1.413 124.097 122.820 -0.227 0.000 2.900 27 A HA 0.026 4.346 4.320 -0.000 0.000 0.246 27 A C 1.341 178.859 177.584 -0.110 0.000 1.725 27 A CA 0.165 52.030 52.037 -0.288 0.000 1.400 27 A CB -0.804 17.731 19.000 -0.775 0.000 0.973 27 A HN 0.065 nan 8.150 nan 0.000 0.635 28 T N 0.007 114.524 114.554 -0.061 0.000 2.759 28 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 28 T C 1.300 176.110 174.700 0.183 0.000 1.042 28 T CA 1.384 63.514 62.100 0.051 0.000 1.140 28 T CB -0.132 68.755 68.868 0.031 0.000 0.864 28 T HN 0.369 nan 8.240 nan 0.000 0.455 29 L N 0.486 121.739 121.223 0.049 0.000 2.653 29 L HA 0.458 4.798 4.340 -0.000 0.000 0.231 29 L C 0.999 177.727 176.870 -0.236 0.000 1.153 29 L CA 0.505 55.328 54.840 -0.028 0.000 0.933 29 L CB -0.962 41.074 42.059 -0.038 0.000 1.175 29 L HN 0.434 nan 8.230 nan 0.000 0.473 30 G N -1.400 107.208 108.800 -0.321 0.000 2.661 30 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.685 30 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.685 30 G C -0.792 173.822 174.900 -0.477 0.000 1.298 30 G CA -0.790 43.832 45.100 -0.796 0.000 0.855 30 G HN -0.094 nan 8.290 nan 0.000 0.560 31 F N 2.417 122.248 119.950 -0.198 0.000 2.391 31 F HA 0.453 4.980 4.527 -0.000 0.000 0.359 31 F C 0.885 176.782 175.800 0.162 0.000 1.122 31 F CA -0.369 57.674 58.000 0.071 0.000 1.120 31 F CB 1.397 40.487 39.000 0.150 0.000 1.142 31 F HN 0.647 nan 8.300 nan 0.000 0.483 32 D N 1.467 122.030 120.400 0.272 0.000 2.478 32 D HA 0.227 4.867 4.640 -0.000 0.000 0.263 32 D C -0.079 176.222 176.300 0.001 0.000 1.153 32 D CA -0.632 53.432 54.000 0.107 0.000 1.038 32 D CB 0.522 41.319 40.800 -0.006 0.000 1.120 32 D HN 0.412 nan 8.370 nan 0.000 0.564 33 N N -0.553 117.962 118.700 -0.307 0.000 2.816 33 N HA -0.149 4.591 4.740 -0.000 0.000 0.247 33 N C -1.224 173.889 175.510 -0.661 0.000 1.100 33 N CA 0.568 53.339 53.050 -0.465 0.000 0.687 33 N CB -1.440 36.950 38.487 -0.161 0.000 1.003 33 N HN 0.538 nan 8.380 nan 0.000 0.554 34 H N -1.985 116.651 119.070 -0.722 0.000 3.016 34 H HA 0.257 4.813 4.556 -0.000 0.000 0.362 34 H C -0.313 174.572 175.328 -0.737 0.000 1.233 34 H CA -0.406 55.366 56.048 -0.460 0.000 1.124 34 H CB 0.634 30.224 29.762 -0.286 0.000 1.850 34 H HN 0.026 nan 8.280 nan 0.000 0.549 35 W N 1.501 122.667 121.300 -0.224 0.000 2.251 35 W HA 0.325 4.985 4.660 -0.000 0.000 0.329 35 W C 0.375 176.687 176.519 -0.344 0.000 1.234 35 W CA 0.226 57.472 57.345 -0.164 0.000 1.228 35 W CB 0.653 30.047 29.460 -0.110 0.000 1.135 35 W HN 0.320 nan 8.180 nan 0.000 0.576 36 H N 2.182 121.433 119.070 0.302 0.000 2.894 36 H HA 0.249 4.805 4.556 -0.000 0.000 0.367 36 H C -2.355 172.969 175.328 -0.008 0.000 1.144 36 H CA -1.795 54.331 56.048 0.131 0.000 1.180 36 H CB 2.093 31.850 29.762 -0.007 0.000 1.758 36 H HN 0.037 nan 8.280 nan 0.000 0.541 37 P HA 0.162 nan 4.420 nan 0.000 0.275 37 P C -0.153 176.767 177.300 -0.634 0.000 1.227 37 P CA -0.054 62.418 63.100 -1.046 0.000 0.781 37 P CB 1.558 31.976 31.700 -2.138 0.000 0.906 38 A N 2.357 124.941 122.820 -0.394 0.000 2.026 38 A HA 0.651 4.971 4.320 -0.000 0.000 0.198 38 A C 0.776 178.399 177.584 0.065 0.000 1.390 38 A CA 1.054 53.056 52.037 -0.058 0.000 0.915 38 A CB -0.032 18.920 19.000 -0.079 0.000 0.974 38 A HN 0.733 nan 8.150 nan 0.000 0.477 39 A N -1.788 120.962 122.820 -0.118 0.000 2.467 39 A HA 0.633 4.953 4.320 -0.000 0.000 0.301 39 A C -1.804 175.554 177.584 -0.377 0.000 1.126 39 A CA -0.618 51.349 52.037 -0.116 0.000 0.632 39 A CB -0.115 18.871 19.000 -0.023 0.000 1.331 39 A HN 0.271 nan 8.150 nan 0.000 0.482 40 F N 0.617 120.561 119.950 -0.010 0.000 2.399 40 F HA 0.375 4.902 4.527 -0.000 0.000 0.334 40 F C 1.380 177.145 175.800 -0.058 0.000 1.097 40 F CA 0.237 58.194 58.000 -0.071 0.000 1.076 40 F CB 1.606 40.565 39.000 -0.068 0.000 1.162 40 F HN 0.860 nan 8.300 nan 0.000 0.495 41 D N 0.702 121.137 120.400 0.058 0.000 2.133 41 D HA -0.228 4.412 4.640 -0.000 0.000 0.195 41 D C 1.755 178.167 176.300 0.187 0.000 0.997 41 D CA 1.879 55.919 54.000 0.066 0.000 0.840 41 D CB -0.103 40.715 40.800 0.030 0.000 0.947 41 D HN 0.678 nan 8.370 nan 0.000 0.452 42 H N -0.609 118.509 119.070 0.079 0.000 2.561 42 H HA 0.034 4.590 4.556 -0.000 0.000 0.278 42 H C 1.311 176.667 175.328 0.047 0.000 1.014 42 H CA 0.346 56.422 56.048 0.047 0.000 1.211 42 H CB 0.266 30.044 29.762 0.027 0.000 1.365 42 H HN 0.366 nan 8.280 nan 0.000 0.594 43 E N 0.595 120.907 120.200 0.186 0.000 2.435 43 E HA 0.023 4.373 4.350 -0.000 0.000 0.195 43 E C -0.277 176.368 176.600 0.075 0.000 1.029 43 E CA 0.217 56.690 56.400 0.122 0.000 0.865 43 E CB 0.450 30.227 29.700 0.128 0.000 0.833 43 E HN 0.348 nan 8.360 nan 0.000 0.510 44 L N 1.065 122.328 121.223 0.066 0.000 2.318 44 L HA 0.408 4.748 4.340 -0.000 0.000 0.277 44 L C -0.278 176.593 176.870 0.001 0.000 1.008 44 L CA -0.631 54.220 54.840 0.019 0.000 0.846 44 L CB 1.637 43.698 42.059 0.004 0.000 1.220 44 L HN -0.104 nan 8.230 nan 0.000 0.423 45 A N 1.901 124.708 122.820 -0.022 0.000 2.269 45 A HA 0.559 4.879 4.320 -0.000 0.000 0.319 45 A C -0.121 177.425 177.584 -0.062 0.000 1.110 45 A CA -0.518 51.499 52.037 -0.034 0.000 0.847 45 A CB 0.767 19.748 19.000 -0.031 0.000 1.161 45 A HN 0.637 nan 8.150 nan 0.000 0.497 46 E N 0.081 120.247 120.200 -0.057 0.000 2.558 46 E HA 0.318 4.668 4.350 -0.000 0.000 0.255 46 E C 1.247 177.783 176.600 -0.107 0.000 0.968 46 E CA 1.790 58.146 56.400 -0.074 0.000 0.939 46 E CB -0.296 29.375 29.700 -0.048 0.000 0.921 46 E HN 1.711 nan 8.360 nan 0.000 0.477 47 G N 3.429 112.125 108.800 -0.175 0.000 2.184 47 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.264 47 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.264 47 G C 0.312 174.995 174.900 -0.361 0.000 0.975 47 G CA 0.476 45.429 45.100 -0.244 0.000 0.642 47 G HN 0.653 nan 8.290 nan 0.000 0.536 48 E N -0.436 119.592 120.200 -0.287 0.000 2.349 48 E HA 0.636 4.985 4.350 -0.000 0.000 0.265 48 E C -0.610 175.765 176.600 -0.374 0.000 1.064 48 E CA -0.814 55.463 56.400 -0.204 0.000 0.886 48 E CB 0.345 30.003 29.700 -0.070 0.000 1.036 48 E HN 0.117 nan 8.360 nan 0.000 0.413 49 F N 1.866 121.827 119.950 0.018 0.000 2.508 49 F HA 0.489 5.016 4.527 -0.000 0.000 0.325 49 F C -0.572 175.247 175.800 0.032 0.000 1.090 49 F CA -0.775 57.243 58.000 0.030 0.000 0.945 49 F CB 2.091 41.112 39.000 0.037 0.000 1.156 49 F HN 0.135 nan 8.300 nan 0.000 0.463 50 V N 2.327 122.378 119.914 0.230 0.000 2.612 50 V HA 0.698 4.818 4.120 -0.000 0.000 0.301 50 V C -0.654 175.519 176.094 0.132 0.000 1.059 50 V CA -0.981 61.403 62.300 0.140 0.000 0.886 50 V CB 1.632 33.506 31.823 0.086 0.000 1.007 50 V HN 0.906 nan 8.190 nan 0.000 0.426 51 A N 4.808 127.689 122.820 0.102 0.000 2.290 51 A HA 0.929 5.249 4.320 -0.000 0.000 0.310 51 A C -0.334 177.276 177.584 0.043 0.000 1.202 51 A CA -0.398 51.686 52.037 0.078 0.000 0.837 51 A CB 1.305 20.343 19.000 0.064 0.000 1.139 51 A HN 1.597 nan 8.150 nan 0.000 0.509 52 V N -0.332 119.598 119.914 0.025 0.000 3.078 52 V HA 0.903 5.023 4.120 -0.000 0.000 0.311 52 V C -0.450 175.635 176.094 -0.014 0.000 1.138 52 V CA -0.522 61.782 62.300 0.006 0.000 1.007 52 V CB 1.760 33.583 31.823 0.000 0.000 1.045 52 V HN 0.720 nan 8.190 nan 0.000 0.432 53 T N 4.422 118.969 114.554 -0.012 0.000 2.815 53 T HA 0.703 5.053 4.350 -0.000 0.000 0.289 53 T C -0.522 174.157 174.700 -0.035 0.000 1.000 53 T CA -0.182 61.904 62.100 -0.024 0.000 0.958 53 T CB 0.970 69.835 68.868 -0.005 0.000 0.944 53 T HN 0.750 nan 8.240 nan 0.000 0.442 54 M N 3.631 123.184 119.600 -0.077 0.000 2.259 54 M HA 0.409 4.889 4.480 -0.000 0.000 0.304 54 M C -0.496 175.725 176.300 -0.131 0.000 1.019 54 M CA -0.860 54.372 55.300 -0.112 0.000 0.922 54 M CB 1.790 34.300 32.600 -0.150 0.000 1.600 54 M HN 0.398 nan 8.290 nan 0.000 0.433 55 L N 3.304 124.431 121.223 -0.161 0.000 3.742 55 L HA -0.272 4.068 4.340 -0.000 0.000 0.431 55 L C 1.066 177.886 176.870 -0.083 0.000 1.220 55 L CA 1.413 56.155 54.840 -0.164 0.000 0.863 55 L CB -2.255 39.675 42.059 -0.215 0.000 1.751 55 L HN 1.213 nan 8.230 nan 0.000 0.922 56 G N -2.233 106.538 108.800 -0.049 0.000 2.205 56 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.261 56 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.261 56 G C 0.276 175.167 174.900 -0.015 0.000 0.980 56 G CA 0.387 45.474 45.100 -0.021 0.000 0.632 56 G HN 0.527 nan 8.290 nan 0.000 0.533 57 E N 0.939 121.123 120.200 -0.026 0.000 2.156 57 E HA 0.415 4.765 4.350 -0.000 0.000 0.279 57 E C -0.097 176.485 176.600 -0.030 0.000 0.965 57 E CA -0.595 55.801 56.400 -0.006 0.000 0.789 57 E CB 1.039 30.755 29.700 0.026 0.000 1.098 57 E HN 0.250 nan 8.360 nan 0.000 0.397 58 K N 2.239 122.635 120.400 -0.007 0.000 2.312 58 K HA 0.303 4.623 4.320 -0.000 0.000 0.287 58 K C -0.619 175.979 176.600 -0.004 0.000 1.062 58 K CA -0.304 55.976 56.287 -0.012 0.000 0.934 58 K CB 1.103 33.598 32.500 -0.009 0.000 1.027 58 K HN 0.192 nan 8.250 nan 0.000 0.478 59 V N 4.052 123.946 119.914 -0.033 0.000 2.769 59 V HA 0.369 4.489 4.120 -0.000 0.000 0.312 59 V C -0.844 175.281 176.094 0.052 0.000 1.061 59 V CA -1.116 61.163 62.300 -0.034 0.000 0.931 59 V CB 1.840 33.524 31.823 -0.231 0.000 1.010 59 V HN 0.547 nan 8.190 nan 0.000 0.433 60 L N 5.056 126.361 121.223 0.138 0.000 2.313 60 L HA 0.668 5.008 4.340 -0.000 0.000 0.283 60 L C -0.864 176.123 176.870 0.196 0.000 1.013 60 L CA 0.139 55.102 54.840 0.204 0.000 0.816 60 L CB 1.162 43.411 42.059 0.316 0.000 1.236 60 L HN 0.545 nan 8.230 nan 0.000 0.419 61 L N 4.315 125.642 121.223 0.173 0.000 2.334 61 L HA 0.813 5.153 4.340 -0.000 0.000 0.273 61 L C 0.058 176.984 176.870 0.094 0.000 1.013 61 L CA -0.466 54.444 54.840 0.116 0.000 0.816 61 L CB 1.979 44.075 42.059 0.062 0.000 1.278 61 L HN 0.668 nan 8.230 nan 0.000 0.431 62 T N 0.956 115.505 114.554 -0.008 0.000 2.769 62 T HA 0.374 4.724 4.350 -0.000 0.000 0.306 62 T C -1.596 173.022 174.700 -0.136 0.000 1.400 62 T CA -0.707 61.273 62.100 -0.200 0.000 1.007 62 T CB 1.981 70.569 68.868 -0.468 0.000 1.392 62 T HN 0.640 nan 8.240 nan 0.000 0.500 63 R N 1.409 121.800 120.500 -0.182 0.000 2.360 63 R HA 0.767 5.107 4.340 -0.000 0.000 0.318 63 R C -1.284 174.950 176.300 -0.110 0.000 0.950 63 R CA -0.544 55.495 56.100 -0.101 0.000 0.837 63 R CB 1.027 31.282 30.300 -0.075 0.000 1.165 63 R HN 0.673 nan 8.270 nan 0.000 0.458 64 A N 4.096 126.878 122.820 -0.063 0.000 2.311 64 A HA 0.340 4.659 4.320 -0.000 0.000 0.306 64 A C -0.400 177.171 177.584 -0.021 0.000 1.189 64 A CA -0.635 51.375 52.037 -0.046 0.000 0.791 64 A CB 0.627 19.611 19.000 -0.027 0.000 1.172 64 A HN 0.943 nan 8.150 nan 0.000 0.481 65 K N 1.670 122.058 120.400 -0.019 0.000 3.117 65 K HA -0.226 4.094 4.320 -0.000 0.000 0.269 65 K C 1.015 177.611 176.600 -0.007 0.000 1.098 65 K CA 0.998 57.280 56.287 -0.008 0.000 0.785 65 K CB -1.822 30.678 32.500 -0.000 0.000 1.242 65 K HN 2.344 nan 8.250 nan 0.000 0.491 66 G N -0.432 108.360 108.800 -0.013 0.000 2.205 66 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.261 66 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.261 66 G C -0.204 174.696 174.900 -0.001 0.000 0.980 66 G CA 0.765 45.861 45.100 -0.007 0.000 0.632 66 G HN 0.489 nan 8.290 nan 0.000 0.533 67 E N 0.010 120.210 120.200 -0.001 0.000 2.183 67 E HA 0.538 4.888 4.350 -0.000 0.000 0.271 67 E C -0.113 176.491 176.600 0.006 0.000 0.919 67 E CA -0.982 55.423 56.400 0.008 0.000 0.781 67 E CB 2.673 32.383 29.700 0.016 0.000 1.140 67 E HN 0.083 nan 8.360 nan 0.000 0.402 68 V N 4.029 123.953 119.914 0.016 0.000 2.508 68 V HA 0.088 4.208 4.120 -0.000 0.000 0.281 68 V C 0.143 176.263 176.094 0.043 0.000 1.041 68 V CA -0.021 62.290 62.300 0.018 0.000 1.016 68 V CB 0.245 32.081 31.823 0.022 0.000 0.984 68 V HN 0.519 nan 8.190 nan 0.000 0.478 69 K N 3.522 123.948 120.400 0.044 0.000 2.318 69 K HA 0.845 5.165 4.320 -0.000 0.000 0.249 69 K C -0.552 176.113 176.600 0.109 0.000 0.942 69 K CA -0.580 55.754 56.287 0.079 0.000 0.808 69 K CB 2.455 34.996 32.500 0.068 0.000 1.189 69 K HN 0.682 nan 8.250 nan 0.000 0.428 70 A N 2.973 125.888 122.820 0.159 0.000 2.335 70 A HA 0.733 5.053 4.320 -0.000 0.000 0.304 70 A C -0.944 176.829 177.584 0.315 0.000 1.118 70 A CA -0.736 51.422 52.037 0.202 0.000 0.757 70 A CB 0.601 19.710 19.000 0.183 0.000 1.188 70 A HN 0.776 nan 8.150 nan 0.000 0.460 71 I N 1.622 122.373 120.570 0.302 0.000 2.828 71 I HA 0.711 4.881 4.170 -0.000 0.000 0.302 71 I C 0.408 176.749 176.117 0.373 0.000 1.101 71 I CA -1.003 60.488 61.300 0.318 0.000 1.031 71 I CB 2.015 40.141 38.000 0.209 0.000 1.231 71 I HN 0.797 nan 8.210 nan 0.000 0.427 72 A N 3.631 126.668 122.820 0.361 0.000 2.546 72 A HA 0.039 4.359 4.320 -0.000 0.000 0.243 72 A C -0.050 177.653 177.584 0.198 0.000 1.063 72 A CA 0.172 52.385 52.037 0.292 0.000 0.757 72 A CB -0.117 18.982 19.000 0.164 0.000 0.991 72 A HN 0.697 nan 8.150 nan 0.000 0.503 73 D N 2.000 122.462 120.400 0.104 0.000 2.845 73 D HA 0.421 5.061 4.640 -0.000 0.000 0.235 73 D C 0.226 176.360 176.300 -0.278 0.000 1.158 73 D CA 0.934 54.933 54.000 -0.003 0.000 0.990 73 D CB -0.507 40.321 40.800 0.047 0.000 1.094 73 D HN 0.716 nan 8.370 nan 0.000 0.486 74 G N 0.679 109.167 108.800 -0.520 0.000 2.659 74 G HA2 0.248 4.208 3.960 -0.000 0.000 0.291 74 G HA3 0.248 4.208 3.960 -0.000 0.000 0.291 74 G C -0.809 173.731 174.900 -0.601 0.000 1.379 74 G CA -0.671 44.120 45.100 -0.515 0.000 1.254 74 G HN 0.312 nan 8.290 nan 0.000 0.590 75 C N 2.473 121.389 119.300 -0.640 0.000 2.644 75 C HA 0.558 5.018 4.460 -0.000 0.000 0.417 75 C C 2.102 177.071 174.990 -0.035 0.000 1.304 75 C CA 0.508 59.391 59.018 -0.224 0.000 2.035 75 C CB 0.219 27.897 27.740 -0.103 0.000 2.673 75 C HN 1.091 nan 8.230 nan 0.000 0.602 76 A N 3.027 125.972 122.820 0.210 0.000 2.067 76 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 76 A C 2.059 179.693 177.584 0.083 0.000 1.158 76 A CA 1.738 53.914 52.037 0.231 0.000 0.661 76 A CB -0.922 18.378 19.000 0.499 0.000 0.801 76 A HN 1.070 nan 8.150 nan 0.000 0.452 77 H N -0.459 118.365 119.070 -0.411 0.000 2.300 77 H HA 0.068 4.624 4.556 -0.000 0.000 0.302 77 H C 1.091 176.183 175.328 -0.393 0.000 1.049 77 H CA 1.215 56.750 56.048 -0.854 0.000 1.254 77 H CB 0.076 28.825 29.762 -1.687 0.000 1.396 77 H HN 0.333 nan 8.280 nan 0.000 0.518 78 R N -0.481 119.739 120.500 -0.468 0.000 2.613 78 R HA 0.148 4.488 4.340 -0.000 0.000 0.361 78 R C 0.685 176.874 176.300 -0.185 0.000 1.072 78 R CA 0.410 56.295 56.100 -0.357 0.000 1.089 78 R CB 1.302 31.363 30.300 -0.399 0.000 1.343 78 R HN 0.710 nan 8.270 nan 0.000 0.571 79 G N 1.440 110.140 108.800 -0.166 0.000 2.196 79 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.268 79 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.268 79 G C 0.491 175.294 174.900 -0.163 0.000 0.975 79 G CA 0.609 45.623 45.100 -0.143 0.000 0.648 79 G HN 0.316 nan 8.290 nan 0.000 0.538 80 V N -1.444 118.363 119.914 -0.178 0.000 2.963 80 V HA 0.628 4.748 4.120 -0.000 0.000 0.306 80 V C -1.313 174.658 176.094 -0.206 0.000 1.077 80 V CA -1.431 60.797 62.300 -0.120 0.000 1.124 80 V CB 1.096 32.866 31.823 -0.087 0.000 0.987 80 V HN 0.227 nan 8.190 nan 0.000 0.487 81 P HA 0.309 nan 4.420 nan 0.000 0.285 81 P C 0.015 177.344 177.300 0.049 0.000 1.259 81 P CA -0.309 62.700 63.100 -0.152 0.000 0.794 81 P CB 1.029 32.703 31.700 -0.043 0.000 0.940 82 F N 0.954 120.998 119.950 0.157 0.000 2.234 82 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 82 F C 2.610 178.474 175.800 0.106 0.000 1.087 82 F CA 1.744 59.856 58.000 0.187 0.000 1.340 82 F CB -1.776 37.249 39.000 0.041 0.000 1.031 82 F HN 0.294 nan 8.300 nan 0.000 0.500 83 S N -0.256 115.551 115.700 0.178 0.000 2.440 83 S HA -0.202 4.268 4.470 -0.000 0.000 0.240 83 S C 1.978 176.561 174.600 -0.029 0.000 1.014 83 S CA 0.787 59.014 58.200 0.045 0.000 0.980 83 S CB -0.416 62.811 63.200 0.045 0.000 0.775 83 S HN 0.227 nan 8.310 nan 0.000 0.499 84 K N 1.265 121.645 120.400 -0.034 0.000 2.152 84 K HA 0.044 4.364 4.320 -0.000 0.000 0.206 84 K C 0.945 177.307 176.600 -0.397 0.000 1.048 84 K CA 1.233 57.364 56.287 -0.261 0.000 0.933 84 K CB -0.174 32.063 32.500 -0.439 0.000 0.721 84 K HN 0.775 nan 8.250 nan 0.000 0.447 85 E N 0.013 120.018 120.200 -0.324 0.000 2.762 85 E HA 0.105 4.455 4.350 -0.000 0.000 0.384 85 E C -2.783 173.797 176.600 -0.034 0.000 1.086 85 E CA -1.072 55.184 56.400 -0.240 0.000 0.769 85 E CB 1.034 30.495 29.700 -0.399 0.000 1.560 85 E HN -0.138 nan 8.360 nan 0.000 0.384 86 P HA 0.082 nan 4.420 nan 0.000 0.267 86 P C -0.548 176.480 177.300 -0.454 0.000 1.209 86 P CA 0.172 62.956 63.100 -0.527 0.000 0.763 86 P CB 0.803 31.752 31.700 -1.252 0.000 0.816 87 L N 3.719 124.756 121.223 -0.309 0.000 2.381 87 L HA 0.606 4.946 4.340 -0.000 0.000 0.268 87 L C -0.130 176.623 176.870 -0.195 0.000 0.997 87 L CA -0.830 53.864 54.840 -0.243 0.000 0.818 87 L CB 2.397 44.366 42.059 -0.149 0.000 1.310 87 L HN 0.452 nan 8.230 nan 0.000 0.416 88 C N 2.173 121.287 119.300 -0.310 0.000 2.505 88 C HA 0.518 4.978 4.460 -0.000 0.000 0.342 88 C C 0.169 174.934 174.990 -0.374 0.000 1.121 88 C CA -0.404 58.524 59.018 -0.149 0.000 1.306 88 C CB 0.352 28.159 27.740 0.110 0.000 1.897 88 C HN 0.807 nan 8.230 nan 0.000 0.446 89 F N 2.898 122.906 119.950 0.097 0.000 2.678 89 F HA 0.433 4.960 4.527 -0.000 0.000 0.305 89 F C 0.972 176.803 175.800 0.052 0.000 1.090 89 F CA 0.083 58.125 58.000 0.070 0.000 1.272 89 F CB 0.236 39.272 39.000 0.060 0.000 1.060 89 F HN 0.542 nan 8.300 nan 0.000 0.576 90 K N 0.828 121.330 120.400 0.170 0.000 2.616 90 K HA 0.607 4.927 4.320 -0.000 0.000 0.255 90 K C -0.882 175.759 176.600 0.069 0.000 0.995 90 K CA -0.609 55.744 56.287 0.110 0.000 0.860 90 K CB 1.388 33.953 32.500 0.108 0.000 1.264 90 K HN -0.076 nan 8.250 nan 0.000 0.451 91 A N 2.180 125.025 122.820 0.042 0.000 2.566 91 A HA 0.395 4.715 4.320 -0.000 0.000 0.245 91 A C 1.203 178.803 177.584 0.026 0.000 1.056 91 A CA 1.507 53.555 52.037 0.018 0.000 0.757 91 A CB -0.601 18.402 19.000 0.005 0.000 0.979 91 A HN 1.360 nan 8.150 nan 0.000 0.508 92 G N 1.385 110.199 108.800 0.024 0.000 2.184 92 G HA2 -0.001 3.958 3.960 -0.000 0.000 0.206 92 G HA3 -0.001 3.958 3.960 -0.000 0.000 0.206 92 G C 0.391 175.324 174.900 0.056 0.000 0.995 92 G CA 0.726 45.847 45.100 0.035 0.000 0.651 92 G HN 2.403 nan 8.290 nan 0.000 0.511 93 T N -2.950 111.644 114.554 0.068 0.000 2.865 93 T HA 0.811 5.161 4.350 -0.000 0.000 0.294 93 T C -0.928 173.832 174.700 0.100 0.000 1.119 93 T CA -0.264 61.890 62.100 0.090 0.000 1.007 93 T CB 2.848 71.772 68.868 0.094 0.000 1.225 93 T HN 1.536 nan 8.240 nan 0.000 0.515 94 V N 0.528 120.496 119.914 0.089 0.000 2.760 94 V HA 0.748 4.868 4.120 -0.000 0.000 0.309 94 V C -1.142 174.959 176.094 0.013 0.000 1.077 94 V CA -0.393 61.918 62.300 0.017 0.000 0.910 94 V CB 2.357 34.094 31.823 -0.145 0.000 1.008 94 V HN 1.180 nan 8.190 nan 0.000 0.424 95 S N 4.657 120.373 115.700 0.026 0.000 2.473 95 S HA 0.407 4.877 4.470 -0.000 0.000 0.307 95 S C -0.460 174.236 174.600 0.160 0.000 1.094 95 S CA -0.370 57.927 58.200 0.162 0.000 1.070 95 S CB 1.307 64.723 63.200 0.361 0.000 1.019 95 S HN 1.061 nan 8.310 nan 0.000 0.480 96 C N 5.965 125.434 119.300 0.280 0.000 2.653 96 C HA 0.202 4.662 4.460 -0.000 0.000 0.421 96 C C 1.952 177.065 174.990 0.206 0.000 1.334 96 C CA -0.534 58.679 59.018 0.325 0.000 1.885 96 C CB -0.668 27.299 27.740 0.378 0.000 2.645 96 C HN 1.053 nan 8.230 nan 0.000 0.601 97 W N 4.621 126.086 121.300 0.275 0.000 2.699 97 W HA -0.026 4.634 4.660 -0.000 0.000 0.249 97 W C 1.285 177.935 176.519 0.217 0.000 1.280 97 W CA 0.238 57.702 57.345 0.197 0.000 1.345 97 W CB -1.111 28.412 29.460 0.106 0.000 1.128 97 W HN 0.816 nan 8.180 nan 0.000 0.642 98 Y N 2.037 121.969 120.300 -0.614 0.000 2.163 98 Y HA -0.034 4.516 4.550 -0.000 0.000 0.288 98 Y C 1.479 177.071 175.900 -0.513 0.000 1.112 98 Y CA 1.564 59.250 58.100 -0.690 0.000 1.104 98 Y CB -0.870 36.881 38.460 -1.182 0.000 1.016 98 Y HN -0.032 nan 8.280 nan 0.000 0.497 99 H N -1.423 117.613 119.070 -0.056 0.000 2.785 99 H HA 0.377 4.933 4.556 -0.000 0.000 0.268 99 H C 1.306 176.727 175.328 0.155 0.000 1.153 99 H CA 0.278 56.318 56.048 -0.014 0.000 1.111 99 H CB 0.443 30.155 29.762 -0.083 0.000 1.633 99 H HN 0.396 nan 8.280 nan 0.000 0.576 100 G N 0.204 109.158 108.800 0.256 0.000 2.153 100 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.252 100 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.252 100 G C -0.355 174.745 174.900 0.333 0.000 0.994 100 G CA -0.209 45.055 45.100 0.272 0.000 0.698 100 G HN 0.232 nan 8.290 nan 0.000 0.521 101 W N 1.052 122.388 121.300 0.060 0.000 2.264 101 W HA 0.513 5.173 4.660 -0.000 0.000 0.331 101 W C 0.785 177.233 176.519 -0.119 0.000 1.364 101 W CA 0.412 57.709 57.345 -0.080 0.000 1.253 101 W CB 0.319 29.758 29.460 -0.035 0.000 1.215 101 W HN 0.069 nan 8.180 nan 0.000 0.561 102 T N 4.730 119.204 114.554 -0.132 0.000 2.807 102 T HA 0.473 4.823 4.350 -0.000 0.000 0.279 102 T C -1.157 173.369 174.700 -0.290 0.000 0.993 102 T CA -0.469 61.581 62.100 -0.084 0.000 0.970 102 T CB 0.737 69.611 68.868 0.010 0.000 0.950 102 T HN 0.012 nan 8.240 nan 0.000 0.441 103 Y N 0.834 121.153 120.300 0.032 0.000 2.468 103 Y HA 0.411 4.961 4.550 -0.000 0.000 0.342 103 Y C 0.398 176.311 175.900 0.022 0.000 1.021 103 Y CA -1.457 56.663 58.100 0.034 0.000 1.079 103 Y CB 1.004 39.498 38.460 0.056 0.000 1.226 103 Y HN 0.503 nan 8.280 nan 0.000 0.460 104 D N 2.534 123.039 120.400 0.175 0.000 2.317 104 D HA 0.107 4.746 4.640 -0.000 0.000 0.252 104 D C 0.667 177.040 176.300 0.121 0.000 1.174 104 D CA 0.200 54.265 54.000 0.110 0.000 0.866 104 D CB 1.142 41.985 40.800 0.071 0.000 1.127 104 D HN 0.697 nan 8.370 nan 0.000 0.467 105 L N 3.046 124.328 121.223 0.098 0.000 2.201 105 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 105 L C 1.649 178.567 176.870 0.079 0.000 1.105 105 L CA 0.624 55.520 54.840 0.093 0.000 0.775 105 L CB -0.093 42.014 42.059 0.079 0.000 0.913 105 L HN 0.385 nan 8.230 nan 0.000 0.440 106 D N 0.361 120.799 120.400 0.064 0.000 2.178 106 D HA -0.148 4.491 4.640 -0.000 0.000 0.202 106 D C 1.171 177.499 176.300 0.046 0.000 0.974 106 D CA 1.581 55.611 54.000 0.050 0.000 0.841 106 D CB 0.008 40.831 40.800 0.038 0.000 0.953 106 D HN 0.577 nan 8.370 nan 0.000 0.478 107 D N -2.618 117.814 120.400 0.053 0.000 2.520 107 D HA 0.176 4.816 4.640 -0.000 0.000 0.223 107 D C 1.449 177.787 176.300 0.063 0.000 1.186 107 D CA 0.564 54.590 54.000 0.044 0.000 0.821 107 D CB 0.063 40.883 40.800 0.034 0.000 1.072 107 D HN 0.101 nan 8.370 nan 0.000 0.518 108 G N 0.725 109.585 108.800 0.099 0.000 2.168 108 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.263 108 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.263 108 G C 0.260 175.304 174.900 0.240 0.000 0.977 108 G CA 0.048 45.236 45.100 0.147 0.000 0.659 108 G HN 0.353 nan 8.290 nan 0.000 0.533 109 R N -0.474 120.130 120.500 0.172 0.000 2.594 109 R HA 0.369 4.709 4.340 -0.000 0.000 0.272 109 R C 0.379 176.752 176.300 0.123 0.000 1.074 109 R CA -0.769 55.417 56.100 0.142 0.000 1.105 109 R CB 0.915 31.249 30.300 0.055 0.000 1.008 109 R HN 0.301 nan 8.270 nan 0.000 0.472 110 L N 3.959 125.188 121.223 0.010 0.000 2.433 110 L HA 0.004 4.344 4.340 -0.000 0.000 0.275 110 L C 0.870 177.607 176.870 -0.223 0.000 1.128 110 L CA 0.375 55.044 54.840 -0.285 0.000 0.875 110 L CB 0.925 42.754 42.059 -0.384 0.000 1.171 110 L HN 0.551 nan 8.230 nan 0.000 0.463 111 V N 0.365 120.155 119.914 -0.207 0.000 3.578 111 V HA 0.525 4.645 4.120 -0.000 0.000 0.290 111 V C 0.273 176.270 176.094 -0.163 0.000 1.376 111 V CA 0.111 62.327 62.300 -0.140 0.000 1.083 111 V CB -0.024 31.758 31.823 -0.067 0.000 0.911 111 V HN 0.799 nan 8.190 nan 0.000 0.433 112 D N -1.104 119.158 120.400 -0.230 0.000 2.755 112 D HA 0.460 5.100 4.640 -0.000 0.000 0.277 112 D C -1.828 174.313 176.300 -0.266 0.000 1.261 112 D CA -0.101 53.775 54.000 -0.206 0.000 0.759 112 D CB 2.715 43.447 40.800 -0.113 0.000 1.279 112 D HN -0.080 nan 8.370 nan 0.000 0.420 113 V N 2.924 122.709 119.914 -0.215 0.000 2.498 113 V HA 0.183 4.303 4.120 -0.000 0.000 0.283 113 V C 1.483 177.536 176.094 -0.069 0.000 1.015 113 V CA -0.493 61.700 62.300 -0.178 0.000 0.867 113 V CB 1.356 32.990 31.823 -0.315 0.000 1.025 113 V HN 0.560 nan 8.190 nan 0.000 0.441 114 L N 2.392 123.610 121.223 -0.010 0.000 2.189 114 L HA -0.144 4.196 4.340 -0.000 0.000 0.214 114 L C 2.388 179.250 176.870 -0.012 0.000 1.097 114 L CA 2.165 56.990 54.840 -0.025 0.000 0.764 114 L CB -0.456 41.588 42.059 -0.025 0.000 0.900 114 L HN 0.888 nan 8.230 nan 0.000 0.436 115 T N -6.010 108.563 114.554 0.031 0.000 3.107 115 T HA 0.065 4.415 4.350 -0.000 0.000 0.249 115 T C 0.831 175.537 174.700 0.010 0.000 1.096 115 T CA 0.237 62.358 62.100 0.036 0.000 1.012 115 T CB 0.365 69.287 68.868 0.089 0.000 0.977 115 T HN 0.105 nan 8.240 nan 0.000 0.527 116 S N 2.876 118.562 115.700 -0.022 0.000 2.680 116 S HA 0.348 4.818 4.470 -0.000 0.000 0.140 116 S C -3.047 171.506 174.600 -0.079 0.000 1.357 116 S CA -1.079 57.093 58.200 -0.047 0.000 1.201 116 S CB 0.702 63.872 63.200 -0.050 0.000 1.547 116 S HN 0.171 nan 8.310 nan 0.000 0.411 117 P HA 0.211 nan 4.420 nan 0.000 0.264 117 P C 1.003 178.254 177.300 -0.082 0.000 1.183 117 P CA 1.413 64.467 63.100 -0.077 0.000 0.763 117 P CB 0.350 32.014 31.700 -0.059 0.000 0.807 118 G N 1.683 110.425 108.800 -0.096 0.000 2.155 118 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 118 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 118 G C 0.432 175.267 174.900 -0.108 0.000 0.983 118 G CA 0.331 45.375 45.100 -0.093 0.000 0.676 118 G HN 0.833 nan 8.290 nan 0.000 0.528 119 S N 1.028 116.645 115.700 -0.138 0.000 2.558 119 S HA 0.341 4.811 4.470 -0.000 0.000 0.293 119 S C 0.268 174.771 174.600 -0.163 0.000 1.292 119 S CA -0.043 58.065 58.200 -0.154 0.000 1.063 119 S CB 0.951 64.023 63.200 -0.213 0.000 0.831 119 S HN 0.262 nan 8.310 nan 0.000 0.499 120 P HA -0.044 nan 4.420 nan 0.000 0.231 120 P C 1.215 178.429 177.300 -0.143 0.000 1.158 120 P CA 0.792 63.823 63.100 -0.116 0.000 0.763 120 P CB -0.352 31.300 31.700 -0.080 0.000 0.805 121 V N -3.798 115.989 119.914 -0.212 0.000 3.406 121 V HA 0.084 4.204 4.120 -0.000 0.000 0.263 121 V C 1.335 177.249 176.094 -0.301 0.000 1.172 121 V CA -0.023 62.123 62.300 -0.256 0.000 1.140 121 V CB -1.198 30.400 31.823 -0.376 0.000 0.784 121 V HN -0.146 nan 8.190 nan 0.000 0.467 122 I N 2.694 123.083 120.570 -0.303 0.000 2.752 122 I HA 0.376 4.546 4.170 -0.000 0.000 0.289 122 I C 1.616 177.627 176.117 -0.178 0.000 1.197 122 I CA 1.509 62.644 61.300 -0.275 0.000 1.432 122 I CB 0.190 38.050 38.000 -0.233 0.000 1.359 122 I HN 0.489 nan 8.210 nan 0.000 0.571 123 G N 4.956 113.664 108.800 -0.153 0.000 2.179 123 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 123 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 123 G C 0.814 175.672 174.900 -0.070 0.000 0.977 123 G CA 0.241 45.286 45.100 -0.092 0.000 0.641 123 G HN 0.684 nan 8.290 nan 0.000 0.533 124 K N -0.569 119.780 120.400 -0.086 0.000 2.374 124 K HA 0.528 4.848 4.320 -0.000 0.000 0.202 124 K C 0.497 177.084 176.600 -0.022 0.000 1.040 124 K CA 0.102 56.358 56.287 -0.051 0.000 1.085 124 K CB 0.899 33.363 32.500 -0.059 0.000 0.873 124 K HN 0.435 nan 8.250 nan 0.000 0.539 125 I N -0.131 120.425 120.570 -0.023 0.000 2.865 125 I HA 0.463 4.632 4.170 -0.000 0.000 0.302 125 I C -0.411 175.779 176.117 0.122 0.000 1.140 125 I CA -1.123 60.213 61.300 0.061 0.000 1.021 125 I CB 2.489 40.536 38.000 0.080 0.000 1.233 125 I HN -0.015 nan 8.210 nan 0.000 0.427 126 G N 4.151 113.067 108.800 0.192 0.000 2.646 126 G HA2 0.734 4.694 3.960 -0.000 0.000 0.291 126 G HA3 0.734 4.694 3.960 -0.000 0.000 0.291 126 G C -1.497 173.529 174.900 0.211 0.000 1.445 126 G CA -0.583 44.657 45.100 0.233 0.000 0.814 126 G HN 0.681 nan 8.290 nan 0.000 0.495 127 I N -2.287 118.387 120.570 0.173 0.000 3.108 127 I HA 0.737 4.907 4.170 -0.000 0.000 0.312 127 I C -0.199 175.925 176.117 0.012 0.000 1.095 127 I CA -1.398 59.940 61.300 0.064 0.000 1.000 127 I CB 2.358 40.342 38.000 -0.026 0.000 1.229 127 I HN 0.492 nan 8.210 nan 0.000 0.454 128 K N 2.261 122.633 120.400 -0.047 0.000 2.270 128 K HA 0.517 4.837 4.320 -0.000 0.000 0.276 128 K C -0.773 175.711 176.600 -0.195 0.000 1.023 128 K CA -0.488 55.696 56.287 -0.171 0.000 0.955 128 K CB 1.104 33.415 32.500 -0.316 0.000 0.975 128 K HN 0.615 nan 8.250 nan 0.000 0.471 129 V N 1.120 120.897 119.914 -0.228 0.000 2.864 129 V HA 0.546 4.666 4.120 -0.000 0.000 0.314 129 V C -1.302 174.649 176.094 -0.237 0.000 1.073 129 V CA -1.014 61.233 62.300 -0.087 0.000 0.956 129 V CB 0.978 32.813 31.823 0.021 0.000 1.023 129 V HN 0.658 nan 8.190 nan 0.000 0.435 130 Y N 1.423 121.756 120.300 0.055 0.000 2.468 130 Y HA 0.725 5.275 4.550 -0.000 0.000 0.342 130 Y C -2.421 173.520 175.900 0.067 0.000 1.021 130 Y CA -2.797 55.334 58.100 0.051 0.000 1.079 130 Y CB 1.570 40.061 38.460 0.052 0.000 1.226 130 Y HN 0.466 nan 8.280 nan 0.000 0.460 131 P HA 0.200 nan 4.420 nan 0.000 0.271 131 P C -1.103 176.406 177.300 0.348 0.000 1.216 131 P CA -0.064 63.139 63.100 0.172 0.000 0.771 131 P CB 0.796 32.490 31.700 -0.010 0.000 0.864 132 V N 3.661 123.797 119.914 0.371 0.000 2.735 132 V HA 0.500 4.620 4.120 -0.000 0.000 0.310 132 V C -0.334 175.930 176.094 0.283 0.000 1.061 132 V CA -0.432 62.099 62.300 0.386 0.000 0.913 132 V CB 1.914 33.864 31.823 0.211 0.000 1.005 132 V HN 0.481 nan 8.190 nan 0.000 0.428 133 Q N 2.362 122.264 119.800 0.170 0.000 2.271 133 Q HA 0.614 4.954 4.340 -0.000 0.000 0.268 133 Q C -2.008 173.996 176.000 0.007 0.000 1.021 133 Q CA -0.415 55.349 55.803 -0.066 0.000 0.802 133 Q CB 2.519 30.977 28.738 -0.467 0.000 1.282 133 Q HN 0.586 nan 8.270 nan 0.000 0.431 134 V N 2.299 122.218 119.914 0.008 0.000 2.407 134 V HA 0.857 4.977 4.120 -0.000 0.000 0.278 134 V C -0.400 175.718 176.094 0.040 0.000 1.037 134 V CA -0.274 62.042 62.300 0.028 0.000 0.900 134 V CB 1.123 32.950 31.823 0.005 0.000 0.983 134 V HN 0.791 nan 8.190 nan 0.000 0.459 135 A N 3.926 126.823 122.820 0.127 0.000 2.459 135 A HA 0.688 5.008 4.320 -0.000 0.000 0.296 135 A C -0.115 177.572 177.584 0.170 0.000 1.039 135 A CA -0.456 51.653 52.037 0.120 0.000 0.698 135 A CB 1.618 20.667 19.000 0.081 0.000 1.261 135 A HN 0.735 nan 8.150 nan 0.000 0.405 136 Q N 0.641 120.464 119.800 0.039 0.000 2.457 136 Q HA -0.246 4.094 4.340 -0.000 0.000 0.283 136 Q C 1.059 177.002 176.000 -0.096 0.000 1.234 136 Q CA 2.021 57.781 55.803 -0.073 0.000 0.877 136 Q CB -2.058 26.590 28.738 -0.151 0.000 1.250 136 Q HN 2.615 nan 8.270 nan 0.000 0.481 137 G N -2.225 106.523 108.800 -0.087 0.000 2.168 137 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.263 137 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.263 137 G C 0.188 175.051 174.900 -0.062 0.000 0.977 137 G CA 0.315 45.341 45.100 -0.123 0.000 0.659 137 G HN 0.420 nan 8.290 nan 0.000 0.533 138 V N 0.692 120.539 119.914 -0.112 0.000 2.459 138 V HA 0.585 4.704 4.120 -0.000 0.000 0.295 138 V C 0.599 176.375 176.094 -0.531 0.000 1.029 138 V CA -0.901 61.138 62.300 -0.436 0.000 0.874 138 V CB 2.036 33.437 31.823 -0.703 0.000 0.985 138 V HN 0.206 nan 8.190 nan 0.000 0.438 139 V N 5.584 125.165 119.914 -0.555 0.000 2.408 139 V HA 0.370 4.490 4.120 -0.000 0.000 0.267 139 V C -0.370 175.408 176.094 -0.526 0.000 1.047 139 V CA -0.042 62.044 62.300 -0.358 0.000 0.937 139 V CB 0.270 31.978 31.823 -0.192 0.000 0.999 139 V HN 0.604 nan 8.190 nan 0.000 0.472 140 F N 3.808 123.680 119.950 -0.129 0.000 2.450 140 F HA 0.685 5.212 4.527 -0.000 0.000 0.332 140 F C 0.149 176.098 175.800 0.248 0.000 1.093 140 F CA -0.668 57.311 58.000 -0.035 0.000 1.003 140 F CB 1.933 40.852 39.000 -0.134 0.000 1.151 140 F HN 0.162 nan 8.300 nan 0.000 0.474 141 V N 3.314 123.506 119.914 0.463 0.000 2.656 141 V HA 0.299 4.419 4.120 -0.000 0.000 0.307 141 V C -1.004 175.227 176.094 0.228 0.000 1.051 141 V CA -1.032 61.478 62.300 0.351 0.000 0.893 141 V CB 1.999 33.864 31.823 0.069 0.000 0.999 141 V HN 0.538 nan 8.190 nan 0.000 0.426 142 F N 5.772 125.561 119.950 -0.270 0.000 2.404 142 F HA 0.574 5.101 4.527 -0.000 0.000 0.358 142 F C -0.153 175.524 175.800 -0.206 0.000 1.120 142 F CA -0.546 57.039 58.000 -0.692 0.000 1.144 142 F CB 0.499 38.673 39.000 -1.378 0.000 1.133 142 F HN 0.236 nan 8.300 nan 0.000 0.495 143 I N 5.615 125.856 120.570 -0.549 0.000 2.359 143 I HA 0.703 4.873 4.170 -0.000 0.000 0.294 143 I C 0.407 176.282 176.117 -0.404 0.000 0.987 143 I CA -0.389 60.770 61.300 -0.235 0.000 1.225 143 I CB 0.552 38.492 38.000 -0.100 0.000 1.366 143 I HN 0.742 nan 8.210 nan 0.000 0.466 144 G N 5.522 114.236 108.800 -0.143 0.000 2.339 144 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.381 144 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.381 144 G C -0.326 174.578 174.900 0.008 0.000 1.400 144 G CA -0.626 44.411 45.100 -0.105 0.000 1.002 144 G HN 0.455 nan 8.290 nan 0.000 0.633 145 D N 0.103 120.515 120.400 0.020 0.000 2.249 145 D HA 0.049 4.689 4.640 -0.000 0.000 0.205 145 D C 1.164 177.494 176.300 0.051 0.000 0.962 145 D CA 0.847 54.863 54.000 0.026 0.000 0.860 145 D CB 0.363 41.171 40.800 0.013 0.000 0.955 145 D HN 0.590 nan 8.370 nan 0.000 0.505 146 E N 1.290 121.546 120.200 0.094 0.000 2.409 146 E HA 0.031 4.381 4.350 -0.000 0.000 0.257 146 E C 0.312 176.943 176.600 0.053 0.000 1.150 146 E CA -0.143 56.310 56.400 0.089 0.000 0.942 146 E CB 0.794 30.565 29.700 0.119 0.000 0.979 146 E HN -0.013 nan 8.360 nan 0.000 0.447 147 E N 2.386 122.541 120.200 -0.075 0.000 2.354 147 E HA 0.133 4.483 4.350 -0.000 0.000 0.269 147 E C -2.066 174.202 176.600 -0.554 0.000 1.036 147 E CA -1.867 54.393 56.400 -0.233 0.000 0.876 147 E CB 0.257 29.864 29.700 -0.156 0.000 1.009 147 E HN 0.294 nan 8.360 nan 0.000 0.416 148 P HA 0.020 nan 4.420 nan 0.000 0.269 148 P C -0.271 176.568 177.300 -0.768 0.000 1.209 148 P CA 0.235 62.239 63.100 -1.826 0.000 0.776 148 P CB 0.633 31.372 31.700 -1.601 0.000 0.876 149 H N 0.512 119.330 119.070 -0.420 0.000 2.649 149 H HA 0.611 5.167 4.556 -0.000 0.000 0.337 149 H C -0.194 175.194 175.328 0.100 0.000 1.282 149 H CA -1.254 54.724 56.048 -0.116 0.000 1.333 149 H CB 0.327 30.011 29.762 -0.130 0.000 1.787 149 H HN 0.497 nan 8.280 nan 0.000 0.632 150 A N 1.293 124.243 122.820 0.217 0.000 2.546 150 A HA 0.024 4.344 4.320 -0.000 0.000 0.243 150 A C 1.410 179.056 177.584 0.103 0.000 1.063 150 A CA -0.331 51.768 52.037 0.103 0.000 0.757 150 A CB -0.203 18.818 19.000 0.035 0.000 0.991 150 A HN 0.678 nan 8.150 nan 0.000 0.503 151 L N 3.896 124.958 121.223 -0.269 0.000 2.043 151 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 151 L C 2.646 179.294 176.870 -0.370 0.000 1.075 151 L CA 3.097 57.510 54.840 -0.711 0.000 0.752 151 L CB -0.837 40.564 42.059 -1.097 0.000 0.891 151 L HN 0.906 nan 8.230 nan 0.000 0.432 152 S N -1.363 114.186 115.700 -0.252 0.000 2.465 152 S HA -0.210 4.260 4.470 -0.000 0.000 0.241 152 S C 1.601 176.152 174.600 -0.082 0.000 1.000 152 S CA 1.294 59.386 58.200 -0.181 0.000 0.964 152 S CB -0.819 62.308 63.200 -0.122 0.000 0.763 152 S HN 0.720 nan 8.310 nan 0.000 0.512 153 E N 0.872 121.074 120.200 0.003 0.000 2.358 153 E HA -0.018 4.332 4.350 -0.000 0.000 0.195 153 E C 0.265 176.916 176.600 0.084 0.000 1.010 153 E CA 0.700 57.133 56.400 0.055 0.000 0.856 153 E CB -0.054 29.553 29.700 -0.155 0.000 0.795 153 E HN 0.592 nan 8.360 nan 0.000 0.504 154 D N 0.363 120.799 120.400 0.059 0.000 2.501 154 D HA 0.214 4.854 4.640 -0.000 0.000 0.226 154 D C -0.170 176.089 176.300 -0.068 0.000 1.198 154 D CA 0.170 54.217 54.000 0.077 0.000 0.830 154 D CB 0.658 41.569 40.800 0.185 0.000 1.014 154 D HN 0.046 nan 8.370 nan 0.000 0.496 155 L N 0.362 121.488 121.223 -0.161 0.000 2.388 155 L HA 0.441 4.781 4.340 -0.000 0.000 0.264 155 L C -2.518 174.144 176.870 -0.347 0.000 0.998 155 L CA -2.162 52.486 54.840 -0.319 0.000 0.817 155 L CB 2.790 44.534 42.059 -0.525 0.000 1.338 155 L HN -0.352 nan 8.230 nan 0.000 0.414 156 P HA 0.166 nan 4.420 nan 0.000 0.272 156 P C -2.550 174.374 177.300 -0.626 0.000 1.223 156 P CA -1.041 61.533 63.100 -0.876 0.000 0.784 156 P CB -0.030 31.427 31.700 -0.405 0.000 0.923 157 P HA 0.090 nan 4.420 nan 0.000 0.268 157 P C 0.972 178.164 177.300 -0.180 0.000 1.205 157 P CA 1.135 63.968 63.100 -0.444 0.000 0.771 157 P CB 0.165 31.565 31.700 -0.499 0.000 0.858 158 G N 1.868 110.614 108.800 -0.090 0.000 2.268 158 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.240 158 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.240 158 G C 0.924 175.846 174.900 0.036 0.000 1.010 158 G CA 0.220 45.322 45.100 0.002 0.000 0.618 158 G HN 0.498 nan 8.290 nan 0.000 0.516 159 F N 1.449 121.286 119.950 -0.189 0.000 2.126 159 F HA 0.176 4.703 4.527 -0.000 0.000 0.299 159 F C 2.203 177.859 175.800 -0.239 0.000 1.096 159 F CA 2.173 59.928 58.000 -0.409 0.000 1.255 159 F CB -0.095 38.532 39.000 -0.621 0.000 0.997 159 F HN 0.187 nan 8.300 nan 0.000 0.479 160 L N 0.195 121.450 121.223 0.054 0.000 2.627 160 L HA 0.043 4.383 4.340 -0.000 0.000 0.232 160 L C -0.252 176.581 176.870 -0.060 0.000 1.150 160 L CA -0.312 54.527 54.840 -0.001 0.000 0.917 160 L CB -0.919 41.134 42.059 -0.010 0.000 1.104 160 L HN -0.112 nan 8.230 nan 0.000 0.445 161 D N 1.258 121.613 120.400 -0.076 0.000 2.531 161 D HA -0.040 4.600 4.640 -0.000 0.000 0.239 161 D C 1.175 177.438 176.300 -0.060 0.000 1.144 161 D CA 0.339 54.302 54.000 -0.061 0.000 0.869 161 D CB 1.053 41.821 40.800 -0.053 0.000 1.160 161 D HN 0.155 nan 8.370 nan 0.000 0.484 162 E N 0.995 121.170 120.200 -0.041 0.000 2.268 162 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 162 E C 0.854 177.443 176.600 -0.019 0.000 0.995 162 E CA 0.734 57.117 56.400 -0.029 0.000 0.836 162 E CB -0.076 29.611 29.700 -0.022 0.000 0.763 162 E HN 0.475 nan 8.360 nan 0.000 0.491 163 D N 0.704 121.090 120.400 -0.024 0.000 2.434 163 D HA -0.012 4.628 4.640 -0.000 0.000 0.232 163 D C 0.037 176.322 176.300 -0.024 0.000 1.166 163 D CA -0.039 53.950 54.000 -0.018 0.000 0.830 163 D CB -0.434 40.353 40.800 -0.021 0.000 0.960 163 D HN 0.111 nan 8.370 nan 0.000 0.497 164 T N -3.628 110.910 114.554 -0.026 0.000 2.887 164 T HA 0.543 4.893 4.350 -0.000 0.000 0.292 164 T C -1.230 173.487 174.700 0.029 0.000 1.087 164 T CA -0.877 61.201 62.100 -0.035 0.000 1.009 164 T CB 2.561 71.378 68.868 -0.086 0.000 1.203 164 T HN 0.124 nan 8.240 nan 0.000 0.518 165 H N -0.838 118.190 119.070 -0.069 0.000 2.768 165 H HA 0.752 5.308 4.556 -0.000 0.000 0.371 165 H C -1.747 173.635 175.328 0.089 0.000 1.151 165 H CA -0.766 55.297 56.048 0.025 0.000 1.165 165 H CB 1.290 31.137 29.762 0.143 0.000 1.722 165 H HN 0.585 nan 8.280 nan 0.000 0.543 166 L N 4.269 125.270 121.223 -0.370 0.000 2.354 166 L HA 0.574 4.914 4.340 -0.000 0.000 0.269 166 L C -1.179 175.526 176.870 -0.275 0.000 1.005 166 L CA -0.428 54.315 54.840 -0.161 0.000 0.819 166 L CB 1.922 43.823 42.059 -0.264 0.000 1.311 166 L HN 0.515 nan 8.230 nan 0.000 0.423 167 L N 1.251 122.313 121.223 -0.269 0.000 2.493 167 L HA 0.914 5.254 4.340 -0.000 0.000 0.265 167 L C -0.168 176.330 176.870 -0.620 0.000 0.954 167 L CA -0.343 54.047 54.840 -0.749 0.000 0.844 167 L CB 2.175 43.305 42.059 -1.548 0.000 1.302 167 L HN 0.731 nan 8.230 nan 0.000 0.405 168 G N 2.149 110.573 108.800 -0.628 0.000 2.682 168 G HA2 0.840 4.800 3.960 -0.000 0.000 0.303 168 G HA3 0.840 4.800 3.960 -0.000 0.000 0.303 168 G C -1.628 172.896 174.900 -0.626 0.000 1.341 168 G CA -0.538 44.405 45.100 -0.261 0.000 0.784 168 G HN 0.692 nan 8.290 nan 0.000 0.497 169 I N -2.640 117.821 120.570 -0.180 0.000 3.195 169 I HA 0.904 5.074 4.170 -0.000 0.000 0.313 169 I C -0.914 175.258 176.117 0.091 0.000 1.237 169 I CA -1.517 59.697 61.300 -0.143 0.000 0.963 169 I CB 2.674 40.621 38.000 -0.089 0.000 1.278 169 I HN 0.842 nan 8.210 nan 0.000 0.460 170 R N 2.036 122.528 120.500 -0.013 0.000 2.771 170 R HA 0.862 5.202 4.340 -0.000 0.000 0.274 170 R C -1.391 174.797 176.300 -0.187 0.000 0.987 170 R CA -0.952 54.944 56.100 -0.341 0.000 0.908 170 R CB 2.486 32.218 30.300 -0.948 0.000 1.213 170 R HN 0.988 nan 8.270 nan 0.000 0.468 171 R N 0.190 120.602 120.500 -0.146 0.000 2.716 171 R HA 0.385 4.725 4.340 -0.000 0.000 0.271 171 R C -1.516 174.789 176.300 0.009 0.000 1.028 171 R CA -0.907 55.185 56.100 -0.014 0.000 0.883 171 R CB 1.883 32.238 30.300 0.092 0.000 1.250 171 R HN 0.563 nan 8.270 nan 0.000 0.465 172 T N 1.394 115.955 114.554 0.011 0.000 2.845 172 T HA 0.444 4.794 4.350 -0.000 0.000 0.288 172 T C -0.541 174.140 174.700 -0.032 0.000 0.980 172 T CA -0.404 61.689 62.100 -0.012 0.000 1.071 172 T CB 1.307 70.175 68.868 -0.001 0.000 0.941 172 T HN 0.305 nan 8.240 nan 0.000 0.487 173 V N 3.834 123.649 119.914 -0.165 0.000 2.656 173 V HA 0.290 4.410 4.120 -0.000 0.000 0.307 173 V C -0.105 175.909 176.094 -0.134 0.000 1.051 173 V CA -0.965 61.213 62.300 -0.203 0.000 0.893 173 V CB 2.062 33.604 31.823 -0.468 0.000 0.999 173 V HN 0.721 nan 8.190 nan 0.000 0.426 174 Q N 3.290 123.089 119.800 -0.002 0.000 3.247 174 Q HA 0.317 4.657 4.340 -0.000 0.000 0.326 174 Q C 0.195 176.262 176.000 0.111 0.000 1.402 174 Q CA 0.025 55.863 55.803 0.058 0.000 0.994 174 Q CB 0.506 29.284 28.738 0.066 0.000 1.647 174 Q HN 0.879 nan 8.270 nan 0.000 0.523 175 S N -0.646 115.162 115.700 0.178 0.000 2.565 175 S HA 0.321 4.791 4.470 -0.000 0.000 0.269 175 S C -0.533 174.273 174.600 0.343 0.000 1.153 175 S CA -1.017 57.322 58.200 0.231 0.000 0.835 175 S CB 1.683 65.013 63.200 0.217 0.000 1.122 175 S HN 0.401 nan 8.310 nan 0.000 0.462 176 N N 1.368 120.201 118.700 0.223 0.000 2.441 176 N HA -0.028 4.712 4.740 -0.000 0.000 0.251 176 N C 1.560 177.149 175.510 0.133 0.000 1.242 176 N CA 0.363 53.539 53.050 0.210 0.000 0.898 176 N CB 0.411 38.974 38.487 0.126 0.000 1.100 176 N HN 0.940 nan 8.380 nan 0.000 0.443 177 W N 5.061 126.370 121.300 0.014 0.000 2.350 177 W HA -0.124 4.536 4.660 -0.000 0.000 0.289 177 W C 1.191 177.577 176.519 -0.223 0.000 1.215 177 W CA 0.340 57.556 57.345 -0.215 0.000 1.236 177 W CB -0.774 28.680 29.460 -0.011 0.000 1.130 177 W HN 0.586 nan 8.180 nan 0.000 0.541 178 R N 0.870 120.689 120.500 -1.135 0.000 2.152 178 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 178 R C 2.474 178.527 176.300 -0.412 0.000 1.117 178 R CA 1.708 57.244 56.100 -0.939 0.000 0.981 178 R CB -0.538 29.218 30.300 -0.907 0.000 0.870 178 R HN 0.265 nan 8.270 nan 0.000 0.451 179 L N -0.696 120.321 121.223 -0.343 0.000 2.217 179 L HA -0.023 4.317 4.340 -0.000 0.000 0.211 179 L C 2.410 179.080 176.870 -0.335 0.000 1.107 179 L CA 1.041 55.696 54.840 -0.308 0.000 0.783 179 L CB -0.537 41.398 42.059 -0.206 0.000 0.919 179 L HN 0.345 nan 8.230 nan 0.000 0.442 180 G N -0.233 108.294 108.800 -0.455 0.000 2.394 180 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.214 180 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.214 180 G C 1.586 175.838 174.900 -1.081 0.000 1.176 180 G CA 0.652 45.429 45.100 -0.539 0.000 0.786 180 G HN 0.129 nan 8.290 nan 0.000 0.533 181 V N 1.072 120.261 119.914 -1.208 0.000 2.287 181 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 181 V C 2.594 178.301 176.094 -0.645 0.000 1.053 181 V CA 2.231 63.836 62.300 -1.158 0.000 1.027 181 V CB -0.589 30.870 31.823 -0.607 0.000 0.646 181 V HN 0.458 nan 8.190 nan 0.000 0.447 182 E N 0.024 119.975 120.200 -0.415 0.000 2.347 182 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 182 E C 2.055 178.501 176.600 -0.257 0.000 1.008 182 E CA 0.783 57.042 56.400 -0.235 0.000 0.852 182 E CB -0.219 29.402 29.700 -0.131 0.000 0.783 182 E HN 0.681 nan 8.360 nan 0.000 0.505 183 N N 0.430 118.925 118.700 -0.342 0.000 2.395 183 N HA -0.066 4.674 4.740 -0.000 0.000 0.175 183 N C 1.833 177.088 175.510 -0.425 0.000 1.029 183 N CA 0.937 53.748 53.050 -0.399 0.000 0.897 183 N CB 0.251 38.539 38.487 -0.331 0.000 0.991 183 N HN 0.101 nan 8.380 nan 0.000 0.441 184 G N -0.198 108.459 108.800 -0.238 0.000 2.411 184 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.213 184 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.213 184 G C 0.484 175.423 174.900 0.065 0.000 1.166 184 G CA -0.056 45.049 45.100 0.009 0.000 0.802 184 G HN 0.301 nan 8.290 nan 0.000 0.533 185 F N 2.421 122.243 119.950 -0.213 0.000 2.871 185 F HA 0.406 4.932 4.527 -0.000 0.000 0.317 185 F C -0.573 175.151 175.800 -0.126 0.000 1.193 185 F CA -1.976 55.912 58.000 -0.187 0.000 1.311 185 F CB -0.058 38.751 39.000 -0.319 0.000 1.380 185 F HN -0.067 nan 8.300 nan 0.000 0.557 186 D N 0.674 120.998 120.400 -0.127 0.000 2.549 186 D HA 0.095 4.735 4.640 -0.000 0.000 0.251 186 D C 0.977 177.340 176.300 0.105 0.000 1.153 186 D CA 0.016 53.972 54.000 -0.073 0.000 0.861 186 D CB 1.768 42.540 40.800 -0.046 0.000 1.207 186 D HN 0.298 nan 8.370 nan 0.000 0.543 187 T N -0.320 114.217 114.554 -0.028 0.000 3.113 187 T HA -0.054 4.296 4.350 -0.000 0.000 0.256 187 T C 1.312 176.103 174.700 0.152 0.000 1.131 187 T CA 1.226 63.361 62.100 0.058 0.000 1.074 187 T CB -0.085 68.749 68.868 -0.056 0.000 0.944 187 T HN 0.374 nan 8.240 nan 0.000 0.516 188 T N -1.009 113.634 114.554 0.149 0.000 3.003 188 T HA 0.120 4.470 4.350 -0.000 0.000 0.261 188 T C 1.687 176.493 174.700 0.177 0.000 1.003 188 T CA 0.144 62.333 62.100 0.148 0.000 0.917 188 T CB -0.453 68.540 68.868 0.208 0.000 1.084 188 T HN 0.654 nan 8.240 nan 0.000 0.522 189 H N 2.678 121.826 119.070 0.129 0.000 2.524 189 H HA 0.069 4.625 4.556 -0.000 0.000 0.282 189 H C 1.907 177.313 175.328 0.130 0.000 1.016 189 H CA 1.054 57.167 56.048 0.107 0.000 1.270 189 H CB -0.604 29.183 29.762 0.042 0.000 1.394 189 H HN 0.650 nan 8.280 nan 0.000 0.568 190 I N -2.015 118.283 120.570 -0.454 0.000 2.800 190 I HA -0.169 4.001 4.170 -0.000 0.000 0.266 190 I C 2.210 178.395 176.117 0.113 0.000 1.249 190 I CA 0.753 61.961 61.300 -0.153 0.000 1.458 190 I CB -1.009 37.042 38.000 0.086 0.000 1.093 190 I HN -0.007 nan 8.210 nan 0.000 0.466 191 F N 3.752 123.673 119.950 -0.047 0.000 2.126 191 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 191 F C 2.364 178.161 175.800 -0.006 0.000 1.096 191 F CA 2.334 60.348 58.000 0.023 0.000 1.255 191 F CB -0.383 38.592 39.000 -0.041 0.000 0.997 191 F HN 0.250 nan 8.300 nan 0.000 0.479 192 M N -1.161 118.291 119.600 -0.248 0.000 2.549 192 M HA -0.103 4.377 4.480 -0.000 0.000 0.260 192 M C 0.858 176.933 176.300 -0.375 0.000 1.076 192 M CA 1.622 56.683 55.300 -0.399 0.000 1.090 192 M CB -0.766 31.619 32.600 -0.358 0.000 1.418 192 M HN 0.101 nan 8.290 nan 0.000 0.486 193 H N 1.418 120.423 119.070 -0.110 0.000 2.551 193 H HA 0.172 4.727 4.556 -0.000 0.000 0.271 193 H C 1.832 177.186 175.328 0.043 0.000 0.984 193 H CA 0.753 56.712 56.048 -0.148 0.000 1.164 193 H CB -0.231 29.336 29.762 -0.326 0.000 1.437 193 H HN 0.644 nan 8.280 nan 0.000 0.550 194 R N 1.001 121.627 120.500 0.210 0.000 2.185 194 R HA -0.140 4.200 4.340 -0.000 0.000 0.247 194 R C 0.564 176.987 176.300 0.204 0.000 1.159 194 R CA 1.899 58.177 56.100 0.297 0.000 0.988 194 R CB -0.492 29.984 30.300 0.293 0.000 0.871 194 R HN 0.235 nan 8.270 nan 0.000 0.458 195 N N 0.540 119.305 118.700 0.109 0.000 2.236 195 N HA -0.001 4.739 4.740 -0.000 0.000 0.196 195 N C -0.484 175.096 175.510 0.116 0.000 1.114 195 N CA -0.174 52.936 53.050 0.099 0.000 0.859 195 N CB 0.805 39.323 38.487 0.053 0.000 0.982 195 N HN 0.144 nan 8.380 nan 0.000 0.493 196 S N 2.110 117.891 115.700 0.135 0.000 2.537 196 S HA 0.065 4.535 4.470 -0.000 0.000 0.286 196 S C -1.171 173.554 174.600 0.208 0.000 1.299 196 S CA -1.345 56.954 58.200 0.165 0.000 1.067 196 S CB 0.682 63.974 63.200 0.153 0.000 0.864 196 S HN 0.142 nan 8.310 nan 0.000 0.494 197 P HA -0.102 nan 4.420 nan 0.000 0.223 197 P C 1.287 178.733 177.300 0.243 0.000 1.144 197 P CA 0.864 64.075 63.100 0.185 0.000 0.783 197 P CB -0.135 31.664 31.700 0.165 0.000 0.771 198 W N 0.895 122.266 121.300 0.118 0.000 2.467 198 W HA -0.101 4.559 4.660 -0.000 0.000 0.275 198 W C 1.483 178.034 176.519 0.054 0.000 1.239 198 W CA 0.397 57.801 57.345 0.100 0.000 1.266 198 W CB -0.146 29.415 29.460 0.169 0.000 1.112 198 W HN -0.236 nan 8.180 nan 0.000 0.576 199 V N 1.579 121.542 119.914 0.082 0.000 2.255 199 V HA -0.368 3.752 4.120 -0.000 0.000 0.247 199 V C 2.593 178.614 176.094 -0.122 0.000 1.051 199 V CA 2.834 65.107 62.300 -0.045 0.000 1.018 199 V CB -1.243 30.646 31.823 0.111 0.000 0.641 199 V HN 0.304 nan 8.190 nan 0.000 0.445 200 S N 0.188 115.856 115.700 -0.053 0.000 2.446 200 S HA 0.025 4.495 4.470 -0.000 0.000 0.225 200 S C 2.087 176.598 174.600 -0.148 0.000 1.016 200 S CA 0.886 59.042 58.200 -0.072 0.000 0.943 200 S CB -0.443 62.750 63.200 -0.011 0.000 0.786 200 S HN 0.531 nan 8.310 nan 0.000 0.508 201 G N 2.048 110.751 108.800 -0.162 0.000 2.469 201 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.220 201 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.220 201 G C 1.271 175.892 174.900 -0.464 0.000 1.136 201 G CA 1.030 46.008 45.100 -0.203 0.000 0.759 201 G HN 0.603 nan 8.290 nan 0.000 0.562 202 N N -0.461 117.756 118.700 -0.804 0.000 2.282 202 N HA 0.091 4.831 4.740 -0.000 0.000 0.240 202 N C 0.361 175.609 175.510 -0.437 0.000 1.182 202 N CA -0.443 52.114 53.050 -0.821 0.000 0.874 202 N CB -0.147 37.418 38.487 -1.537 0.000 1.126 202 N HN 0.175 nan 8.380 nan 0.000 0.516 203 R N 0.103 120.427 120.500 -0.293 0.000 3.322 203 R HA -0.176 4.164 4.340 -0.000 0.000 0.253 203 R C -0.674 175.551 176.300 -0.124 0.000 0.987 203 R CA 0.449 56.453 56.100 -0.160 0.000 0.666 203 R CB -2.029 28.202 30.300 -0.115 0.000 1.072 203 R HN 0.341 nan 8.270 nan 0.000 0.447 204 L N 0.340 121.481 121.223 -0.137 0.000 2.371 204 L HA 0.418 4.758 4.340 -0.000 0.000 0.272 204 L C 1.046 177.981 176.870 0.108 0.000 1.124 204 L CA -0.352 54.476 54.840 -0.020 0.000 0.816 204 L CB 1.223 43.257 42.059 -0.042 0.000 1.129 204 L HN 0.198 nan 8.230 nan 0.000 0.448 205 A N 3.815 126.734 122.820 0.166 0.000 2.506 205 A HA 0.421 4.741 4.320 -0.000 0.000 0.320 205 A C -0.890 176.969 177.584 0.458 0.000 1.424 205 A CA -0.123 52.031 52.037 0.195 0.000 1.044 205 A CB -0.444 18.610 19.000 0.090 0.000 1.140 205 A HN 0.471 nan 8.150 nan 0.000 0.538 206 F N 5.959 126.074 119.950 0.275 0.000 2.427 206 F HA 0.536 5.063 4.527 -0.000 0.000 0.348 206 F C -2.133 173.702 175.800 0.058 0.000 1.125 206 F CA -2.319 55.813 58.000 0.219 0.000 0.989 206 F CB 2.099 41.225 39.000 0.210 0.000 1.165 206 F HN 0.398 nan 8.300 nan 0.000 0.442 207 P HA 0.072 nan 4.420 nan 0.000 0.276 207 P C -0.224 176.594 177.300 -0.803 0.000 1.261 207 P CA -0.028 62.340 63.100 -1.220 0.000 0.800 207 P CB 1.152 31.737 31.700 -1.857 0.000 1.066 208 Y N -0.730 119.316 120.300 -0.424 0.000 2.544 208 Y HA 0.341 4.891 4.550 -0.000 0.000 0.286 208 Y C 1.702 177.473 175.900 -0.215 0.000 1.141 208 Y CA 0.740 58.762 58.100 -0.129 0.000 1.299 208 Y CB -0.363 38.142 38.460 0.076 0.000 1.030 208 Y HN 0.566 nan 8.280 nan 0.000 0.543 209 G N -1.587 106.993 108.800 -0.367 0.000 2.368 209 G HA2 0.424 4.384 3.960 -0.000 0.000 0.293 209 G HA3 0.424 4.384 3.960 -0.000 0.000 0.293 209 G C -2.065 172.497 174.900 -0.562 0.000 1.467 209 G CA -0.985 43.917 45.100 -0.329 0.000 0.804 209 G HN -0.145 nan 8.290 nan 0.000 0.535 210 F N 0.308 120.197 119.950 -0.102 0.000 2.477 210 F HA 0.602 5.129 4.527 -0.000 0.000 0.335 210 F C 0.244 176.141 175.800 0.162 0.000 1.130 210 F CA -0.813 57.171 58.000 -0.026 0.000 0.948 210 F CB 2.557 41.444 39.000 -0.188 0.000 1.154 210 F HN 0.274 nan 8.300 nan 0.000 0.439 211 V N 4.890 124.992 119.914 0.312 0.000 2.435 211 V HA 0.404 4.524 4.120 -0.000 0.000 0.290 211 V C -2.245 173.818 176.094 -0.052 0.000 1.030 211 V CA -2.442 59.930 62.300 0.121 0.000 0.881 211 V CB 1.755 33.586 31.823 0.015 0.000 0.983 211 V HN 0.474 nan 8.190 nan 0.000 0.445 212 P HA 0.073 nan 4.420 nan 0.000 0.261 212 P C 0.214 177.279 177.300 -0.391 0.000 1.183 212 P CA 0.332 62.929 63.100 -0.839 0.000 0.761 212 P CB 0.810 32.138 31.700 -0.620 0.000 0.785 213 A N 3.290 125.911 122.820 -0.331 0.000 2.169 213 A HA 0.196 4.516 4.320 -0.000 0.000 0.210 213 A C 0.377 177.887 177.584 -0.122 0.000 1.168 213 A CA 0.913 52.861 52.037 -0.148 0.000 0.813 213 A CB -0.328 18.634 19.000 -0.063 0.000 0.861 213 A HN 0.629 nan 8.150 nan 0.000 0.481 214 D N -3.256 117.050 120.400 -0.156 0.000 2.768 214 D HA 0.235 4.875 4.640 -0.000 0.000 0.327 214 D C 0.681 176.910 176.300 -0.118 0.000 1.302 214 D CA -0.621 53.316 54.000 -0.105 0.000 0.897 214 D CB 0.183 40.944 40.800 -0.066 0.000 1.420 214 D HN -0.096 nan 8.370 nan 0.000 0.494 215 R N -0.152 120.300 120.500 -0.080 0.000 2.280 215 R HA 0.032 4.372 4.340 -0.000 0.000 0.207 215 R C -0.508 175.753 176.300 -0.065 0.000 1.043 215 R CA 0.699 56.755 56.100 -0.073 0.000 1.006 215 R CB -0.385 29.883 30.300 -0.052 0.000 0.885 215 R HN 0.405 nan 8.270 nan 0.000 0.467 216 D N 1.108 121.474 120.400 -0.057 0.000 2.368 216 D HA 0.207 4.847 4.640 -0.000 0.000 0.218 216 D C 1.229 177.517 176.300 -0.020 0.000 1.112 216 D CA 0.264 54.244 54.000 -0.034 0.000 0.834 216 D CB 0.916 41.706 40.800 -0.017 0.000 0.953 216 D HN 0.265 nan 8.370 nan 0.000 0.505 217 A N 0.317 123.095 122.820 -0.069 0.000 1.933 217 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 217 A C 1.143 178.789 177.584 0.103 0.000 1.175 217 A CA 0.946 52.944 52.037 -0.064 0.000 0.628 217 A CB -0.066 18.660 19.000 -0.456 0.000 0.814 217 A HN 0.175 nan 8.150 nan 0.000 0.444 218 M N -0.935 118.687 119.600 0.035 0.000 2.383 218 M HA 0.448 4.928 4.480 -0.000 0.000 0.325 218 M C -0.600 175.709 176.300 0.015 0.000 1.092 218 M CA -0.080 55.264 55.300 0.073 0.000 0.961 218 M CB 2.234 34.870 32.600 0.060 0.000 1.672 218 M HN 0.288 nan 8.290 nan 0.000 0.438 219 Q N 2.121 121.927 119.800 0.011 0.000 2.321 219 Q HA 0.602 4.942 4.340 -0.000 0.000 0.270 219 Q C -1.794 174.101 176.000 -0.175 0.000 1.032 219 Q CA -0.661 55.073 55.803 -0.116 0.000 0.784 219 Q CB 2.396 31.032 28.738 -0.170 0.000 1.264 219 Q HN 0.641 nan 8.270 nan 0.000 0.448 220 V N 4.533 124.312 119.914 -0.225 0.000 2.432 220 V HA 0.253 4.373 4.120 -0.000 0.000 0.275 220 V C -0.995 174.915 176.094 -0.306 0.000 1.043 220 V CA -0.332 61.854 62.300 -0.189 0.000 0.925 220 V CB 0.563 32.312 31.823 -0.122 0.000 0.985 220 V HN 0.682 nan 8.190 nan 0.000 0.466 221 Y N 2.831 123.066 120.300 -0.108 0.000 2.504 221 Y HA 0.396 4.946 4.550 -0.000 0.000 0.339 221 Y C 0.447 176.307 175.900 -0.067 0.000 0.974 221 Y CA -0.594 57.489 58.100 -0.029 0.000 1.232 221 Y CB 1.073 39.597 38.460 0.107 0.000 1.108 221 Y HN 0.663 nan 8.280 nan 0.000 0.509 222 D N 2.035 122.426 120.400 -0.015 0.000 2.891 222 D HA 0.100 4.740 4.640 -0.000 0.000 0.332 222 D C -0.811 175.406 176.300 -0.138 0.000 1.369 222 D CA -0.092 53.840 54.000 -0.114 0.000 0.827 222 D CB 0.177 40.898 40.800 -0.130 0.000 1.141 222 D HN 0.354 nan 8.370 nan 0.000 0.464 223 E N 0.829 120.982 120.200 -0.079 0.000 2.267 223 E HA 0.450 4.800 4.350 -0.000 0.000 0.248 223 E C -0.372 176.171 176.600 -0.094 0.000 0.899 223 E CA -0.250 56.103 56.400 -0.078 0.000 0.764 223 E CB 0.021 29.716 29.700 -0.010 0.000 1.227 223 E HN 0.356 nan 8.360 nan 0.000 0.421 224 N N 1.399 119.978 118.700 -0.202 0.000 4.095 224 N HA -0.239 4.501 4.740 -0.000 0.000 0.258 224 N C -1.083 174.214 175.510 -0.355 0.000 0.898 224 N CA 0.890 53.836 53.050 -0.174 0.000 0.984 224 N CB -0.509 37.984 38.487 0.011 0.000 0.928 224 N HN 0.351 nan 8.380 nan 0.000 0.560 225 W N 1.239 122.566 121.300 0.045 0.000 2.864 225 W HA 0.563 5.223 4.660 -0.000 0.000 0.343 225 W C -1.953 174.583 176.519 0.028 0.000 1.109 225 W CA -0.945 56.432 57.345 0.053 0.000 1.192 225 W CB 0.468 29.937 29.460 0.015 0.000 1.426 225 W HN 0.320 nan 8.180 nan 0.000 0.529 226 P HA 0.300 nan 4.420 nan 0.000 0.274 226 P C -1.209 176.374 177.300 0.471 0.000 1.246 226 P CA -0.289 63.070 63.100 0.431 0.000 0.795 226 P CB 1.299 33.094 31.700 0.158 0.000 1.006 227 K N 0.289 121.006 120.400 0.528 0.000 2.270 227 K HA 0.750 5.070 4.320 -0.000 0.000 0.255 227 K C 0.050 176.839 176.600 0.315 0.000 0.936 227 K CA -0.640 55.817 56.287 0.283 0.000 0.809 227 K CB 2.120 34.538 32.500 -0.137 0.000 1.131 227 K HN 0.793 nan 8.250 nan 0.000 0.427 228 G N 0.308 109.062 108.800 -0.076 0.000 2.489 228 G HA2 0.449 4.409 3.960 -0.000 0.000 0.305 228 G HA3 0.449 4.409 3.960 -0.000 0.000 0.305 228 G C -1.777 172.793 174.900 -0.550 0.000 1.311 228 G CA -0.562 44.185 45.100 -0.588 0.000 0.813 228 G HN 0.303 nan 8.290 nan 0.000 0.480 229 V N 0.224 119.745 119.914 -0.656 0.000 2.588 229 V HA 0.717 4.837 4.120 -0.000 0.000 0.304 229 V C -0.816 175.120 176.094 -0.263 0.000 1.042 229 V CA -0.696 61.429 62.300 -0.292 0.000 0.877 229 V CB 1.517 33.297 31.823 -0.072 0.000 0.996 229 V HN 0.827 nan 8.190 nan 0.000 0.425 230 L N 3.347 124.590 121.223 0.033 0.000 2.341 230 L HA 0.743 5.083 4.340 -0.000 0.000 0.278 230 L C -0.968 176.026 176.870 0.206 0.000 1.005 230 L CA 0.078 55.010 54.840 0.152 0.000 0.818 230 L CB 1.807 44.039 42.059 0.289 0.000 1.259 230 L HN 0.553 nan 8.230 nan 0.000 0.418 231 D N 4.603 125.117 120.400 0.190 0.000 2.329 231 D HA 0.322 4.962 4.640 -0.000 0.000 0.232 231 D C -0.213 176.091 176.300 0.007 0.000 1.088 231 D CA -0.040 54.017 54.000 0.096 0.000 0.835 231 D CB 1.226 41.925 40.800 -0.168 0.000 1.078 231 D HN 0.407 nan 8.370 nan 0.000 0.495 232 R N 3.076 123.657 120.500 0.135 0.000 3.701 232 R HA 0.186 4.526 4.340 -0.000 0.000 0.210 232 R C 1.284 177.614 176.300 0.051 0.000 1.598 232 R CA -0.152 55.998 56.100 0.084 0.000 1.427 232 R CB 0.144 30.520 30.300 0.127 0.000 1.339 232 R HN 0.407 nan 8.270 nan 0.000 0.720 233 L N 0.274 121.325 121.223 -0.287 0.000 2.042 233 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 233 L C 2.360 179.136 176.870 -0.157 0.000 1.076 233 L CA 1.871 56.386 54.840 -0.540 0.000 0.749 233 L CB -0.547 40.866 42.059 -1.077 0.000 0.893 233 L HN 0.476 nan 8.230 nan 0.000 0.432 234 S N -0.602 115.046 115.700 -0.086 0.000 2.481 234 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 234 S C 1.361 176.005 174.600 0.074 0.000 0.996 234 S CA 1.006 59.221 58.200 0.025 0.000 0.942 234 S CB -0.202 63.012 63.200 0.023 0.000 0.768 234 S HN 0.733 nan 8.310 nan 0.000 0.520 235 E N -0.146 120.104 120.200 0.083 0.000 2.571 235 E HA 0.225 4.575 4.350 -0.000 0.000 0.222 235 E C -0.040 176.618 176.600 0.097 0.000 0.904 235 E CA -0.082 56.370 56.400 0.086 0.000 1.157 235 E CB -0.162 29.577 29.700 0.065 0.000 1.158 235 E HN 0.495 nan 8.360 nan 0.000 0.540 236 N N -0.361 118.428 118.700 0.148 0.000 2.241 236 N HA 0.205 4.945 4.740 -0.000 0.000 0.238 236 N C -1.476 174.081 175.510 0.077 0.000 1.244 236 N CA -0.138 52.972 53.050 0.100 0.000 0.880 236 N CB 0.619 39.145 38.487 0.065 0.000 1.179 236 N HN 0.006 nan 8.380 nan 0.000 0.513 237 Y N 0.181 120.491 120.300 0.017 0.000 2.570 237 Y HA 0.560 5.110 4.550 -0.000 0.000 0.345 237 Y C -0.544 175.410 175.900 0.089 0.000 1.014 237 Y CA -1.286 56.842 58.100 0.046 0.000 1.063 237 Y CB 1.458 39.953 38.460 0.059 0.000 1.272 237 Y HN -0.113 nan 8.280 nan 0.000 0.477 238 M N 6.131 125.879 119.600 0.247 0.000 2.167 238 M HA 0.520 5.000 4.480 -0.000 0.000 0.333 238 M C -2.960 173.411 176.300 0.117 0.000 1.030 238 M CA -2.466 52.924 55.300 0.151 0.000 0.963 238 M CB 1.366 34.007 32.600 0.068 0.000 1.589 238 M HN 0.180 nan 8.290 nan 0.000 0.431 239 P HA 0.245 nan 4.420 nan 0.000 0.288 239 P C -1.280 175.769 177.300 -0.417 0.000 1.267 239 P CA -0.409 62.467 63.100 -0.374 0.000 0.815 239 P CB 1.164 32.603 31.700 -0.436 0.000 0.989 240 V N 4.687 124.269 119.914 -0.554 0.000 2.311 240 V HA 0.195 4.315 4.120 -0.000 0.000 0.275 240 V C 0.513 176.321 176.094 -0.477 0.000 1.022 240 V CA 0.014 62.126 62.300 -0.313 0.000 0.830 240 V CB 0.064 31.812 31.823 -0.126 0.000 1.012 240 V HN 0.432 nan 8.190 nan 0.000 0.452 241 F N 2.088 121.942 119.950 -0.160 0.000 2.695 241 F HA 0.377 4.904 4.527 -0.000 0.000 0.303 241 F C 1.047 176.752 175.800 -0.159 0.000 1.091 241 F CA -0.031 57.797 58.000 -0.287 0.000 1.300 241 F CB 0.590 39.474 39.000 -0.194 0.000 1.071 241 F HN 0.440 nan 8.300 nan 0.000 0.578 242 E N 0.527 120.852 120.200 0.208 0.000 2.275 242 E HA 0.685 5.035 4.350 -0.000 0.000 0.270 242 E C -1.320 175.472 176.600 0.319 0.000 0.882 242 E CA -0.769 55.809 56.400 0.297 0.000 0.758 242 E CB 1.814 31.620 29.700 0.177 0.000 1.195 242 E HN 0.003 nan 8.360 nan 0.000 0.419 243 A N 2.693 125.697 122.820 0.307 0.000 2.288 243 A HA 0.622 4.942 4.320 -0.000 0.000 0.320 243 A C -0.342 177.278 177.584 0.060 0.000 1.217 243 A CA -0.454 51.647 52.037 0.106 0.000 0.840 243 A CB 1.046 20.012 19.000 -0.057 0.000 1.179 243 A HN 0.549 nan 8.150 nan 0.000 0.504 244 T N 0.319 114.887 114.554 0.024 0.000 2.887 244 T HA 0.735 5.085 4.350 -0.000 0.000 0.288 244 T C -0.725 173.969 174.700 -0.011 0.000 1.021 244 T CA -0.701 61.408 62.100 0.016 0.000 1.000 244 T CB 1.291 70.174 68.868 0.024 0.000 1.034 244 T HN 0.691 nan 8.240 nan 0.000 0.467 245 L N 2.258 123.476 121.223 -0.008 0.000 2.470 245 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 245 L C -0.695 176.169 176.870 -0.010 0.000 0.964 245 L CA -0.474 54.354 54.840 -0.019 0.000 0.839 245 L CB 1.766 43.811 42.059 -0.024 0.000 1.276 245 L HN 1.111 nan 8.230 nan 0.000 0.403 246 D N 3.621 124.013 120.400 -0.013 0.000 2.751 246 D HA -0.188 4.452 4.640 -0.000 0.000 0.233 246 D C 0.988 177.287 176.300 -0.002 0.000 1.149 246 D CA 1.812 55.807 54.000 -0.008 0.000 0.682 246 D CB -0.686 40.109 40.800 -0.008 0.000 1.068 246 D HN 1.174 nan 8.370 nan 0.000 0.429 247 G N -1.192 107.608 108.800 0.001 0.000 2.179 247 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 247 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 247 G C -0.055 174.851 174.900 0.011 0.000 0.977 247 G CA 0.500 45.604 45.100 0.006 0.000 0.641 247 G HN 0.495 nan 8.290 nan 0.000 0.533 248 E N 0.653 120.859 120.200 0.011 0.000 2.183 248 E HA 0.479 4.829 4.350 -0.000 0.000 0.271 248 E C -0.317 176.298 176.600 0.025 0.000 0.919 248 E CA -0.413 55.997 56.400 0.017 0.000 0.781 248 E CB 1.373 31.081 29.700 0.014 0.000 1.140 248 E HN 0.082 nan 8.360 nan 0.000 0.402 249 T N 1.752 116.327 114.554 0.035 0.000 2.738 249 T HA 0.119 4.469 4.350 -0.000 0.000 0.293 249 T C 1.351 176.083 174.700 0.053 0.000 0.913 249 T CA -0.198 61.933 62.100 0.052 0.000 1.103 249 T CB 0.106 69.012 68.868 0.062 0.000 0.880 249 T HN 0.365 nan 8.240 nan 0.000 0.526 250 V N 2.149 122.094 119.914 0.051 0.000 3.644 250 V HA 0.515 4.635 4.120 -0.000 0.000 0.267 250 V C 0.053 176.186 176.094 0.065 0.000 1.277 250 V CA 0.130 62.457 62.300 0.045 0.000 1.096 250 V CB -0.188 31.650 31.823 0.025 0.000 0.828 250 V HN 0.501 nan 8.190 nan 0.000 0.446 251 L N 1.177 122.460 121.223 0.101 0.000 2.545 251 L HA 0.790 5.129 4.340 -0.000 0.000 0.258 251 L C -0.791 176.274 176.870 0.325 0.000 0.942 251 L CA 0.206 55.141 54.840 0.158 0.000 0.855 251 L CB 2.326 44.402 42.059 0.029 0.000 1.374 251 L HN 0.418 nan 8.230 nan 0.000 0.411 252 S N 1.681 117.605 115.700 0.373 0.000 2.566 252 S HA 0.939 5.409 4.470 -0.000 0.000 0.273 252 S C -0.606 174.144 174.600 0.250 0.000 1.157 252 S CA -0.357 58.043 58.200 0.333 0.000 0.938 252 S CB 1.536 64.844 63.200 0.180 0.000 1.087 252 S HN 0.989 nan 8.310 nan 0.000 0.474 253 A N 1.383 124.236 122.820 0.056 0.000 2.366 253 A HA 0.587 4.907 4.320 -0.000 0.000 0.249 253 A C 0.285 177.894 177.584 0.041 0.000 1.084 253 A CA -0.269 51.773 52.037 0.009 0.000 0.794 253 A CB -0.028 18.938 19.000 -0.057 0.000 1.034 253 A HN 0.921 nan 8.150 nan 0.000 0.491 254 E N 0.735 120.965 120.200 0.049 0.000 2.180 254 E HA 0.444 4.794 4.350 -0.000 0.000 0.283 254 E C -1.232 175.343 176.600 -0.041 0.000 1.061 254 E CA 0.247 56.655 56.400 0.014 0.000 0.861 254 E CB 0.104 29.822 29.700 0.029 0.000 1.056 254 E HN 0.454 nan 8.360 nan 0.000 0.407 255 L N 5.089 126.257 121.223 -0.091 0.000 2.366 255 L HA 0.469 4.809 4.340 -0.000 0.000 0.266 255 L C -0.445 176.364 176.870 -0.100 0.000 1.010 255 L CA -0.553 54.193 54.840 -0.155 0.000 0.879 255 L CB 1.547 43.434 42.059 -0.288 0.000 1.228 255 L HN 0.509 nan 8.230 nan 0.000 0.439 256 T N 1.218 115.729 114.554 -0.073 0.000 3.047 256 T HA 0.640 4.990 4.350 -0.000 0.000 0.340 256 T C 0.006 174.680 174.700 -0.043 0.000 1.421 256 T CA 0.621 62.690 62.100 -0.051 0.000 1.090 256 T CB 1.627 70.475 68.868 -0.035 0.000 1.292 256 T HN 0.948 nan 8.240 nan 0.000 0.480 257 G N 3.359 112.137 108.800 -0.037 0.000 2.562 257 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.250 257 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.250 257 G C -0.858 174.021 174.900 -0.033 0.000 1.269 257 G CA -0.013 45.068 45.100 -0.031 0.000 0.919 257 G HN 0.866 nan 8.290 nan 0.000 0.574 258 E N 2.363 122.546 120.200 -0.029 0.000 2.044 258 E HA 0.386 4.736 4.350 -0.000 0.000 0.282 258 E C 0.292 176.872 176.600 -0.032 0.000 1.031 258 E CA 0.117 56.501 56.400 -0.027 0.000 0.824 258 E CB 0.921 30.608 29.700 -0.022 0.000 1.076 258 E HN 0.528 nan 8.360 nan 0.000 0.395 259 E N 1.943 122.125 120.200 -0.031 0.000 2.244 259 E HA 0.345 4.695 4.350 -0.000 0.000 0.266 259 E C -0.459 176.133 176.600 -0.013 0.000 0.914 259 E CA -0.845 55.537 56.400 -0.030 0.000 0.794 259 E CB 2.167 31.849 29.700 -0.031 0.000 1.210 259 E HN 0.116 nan 8.360 nan 0.000 0.414 260 K N 1.662 122.053 120.400 -0.015 0.000 2.144 260 K HA 0.307 4.627 4.320 -0.000 0.000 0.270 260 K C -0.454 176.177 176.600 0.053 0.000 1.005 260 K CA -0.763 55.526 56.287 0.004 0.000 0.932 260 K CB 0.765 33.248 32.500 -0.027 0.000 1.021 260 K HN 0.081 nan 8.250 nan 0.000 0.462 261 K N 2.247 122.688 120.400 0.069 0.000 2.235 261 K HA 0.356 4.676 4.320 -0.000 0.000 0.266 261 K C -0.173 176.505 176.600 0.130 0.000 0.980 261 K CA -0.600 55.761 56.287 0.123 0.000 0.849 261 K CB 1.452 34.017 32.500 0.107 0.000 1.098 261 K HN 0.531 nan 8.250 nan 0.000 0.445 262 V N -2.276 117.765 119.914 0.211 0.000 3.156 262 V HA 0.835 4.955 4.120 -0.000 0.000 0.311 262 V C 0.026 176.285 176.094 0.275 0.000 1.208 262 V CA -0.954 61.486 62.300 0.235 0.000 1.063 262 V CB 1.263 33.256 31.823 0.283 0.000 1.098 262 V HN 0.856 nan 8.190 nan 0.000 0.452 263 A N -0.413 122.563 122.820 0.261 0.000 2.362 263 A HA 0.034 4.354 4.320 -0.000 0.000 0.290 263 A C 1.403 178.947 177.584 -0.067 0.000 1.441 263 A CA 1.354 53.448 52.037 0.096 0.000 0.743 263 A CB -1.697 17.379 19.000 0.126 0.000 1.125 263 A HN 2.529 nan 8.150 nan 0.000 0.378 264 A N -0.105 122.695 122.820 -0.034 0.000 2.016 264 A HA 0.302 4.622 4.320 -0.000 0.000 0.217 264 A C 0.997 178.503 177.584 -0.130 0.000 1.162 264 A CA 1.735 53.734 52.037 -0.063 0.000 0.662 264 A CB 0.107 19.105 19.000 -0.003 0.000 0.812 264 A HN 0.952 nan 8.150 nan 0.000 0.450 265 Q N -1.658 118.076 119.800 -0.110 0.000 2.377 265 Q HA 0.579 4.919 4.340 -0.000 0.000 0.279 265 Q C -1.839 174.115 176.000 -0.077 0.000 1.049 265 Q CA -0.500 55.244 55.803 -0.098 0.000 0.825 265 Q CB 2.650 31.387 28.738 -0.001 0.000 1.401 265 Q HN 0.139 nan 8.270 nan 0.000 0.404 266 V N 1.187 121.067 119.914 -0.056 0.000 2.760 266 V HA 0.844 4.964 4.120 -0.000 0.000 0.309 266 V C -1.522 174.694 176.094 0.203 0.000 1.077 266 V CA -0.136 62.189 62.300 0.041 0.000 0.910 266 V CB 2.075 33.889 31.823 -0.014 0.000 1.008 266 V HN 0.929 nan 8.190 nan 0.000 0.424 267 S N 4.738 120.542 115.700 0.172 0.000 2.579 267 S HA 0.841 5.311 4.470 -0.000 0.000 0.272 267 S C -1.268 173.118 174.600 -0.357 0.000 1.141 267 S CA -0.639 57.538 58.200 -0.038 0.000 0.843 267 S CB 1.692 64.942 63.200 0.084 0.000 1.122 267 S HN 1.491 nan 8.310 nan 0.000 0.468 268 V N 1.608 120.914 119.914 -1.013 0.000 2.735 268 V HA 0.856 4.976 4.120 -0.000 0.000 0.310 268 V C -2.179 173.385 176.094 -0.883 0.000 1.061 268 V CA -0.569 61.200 62.300 -0.884 0.000 0.913 268 V CB 1.473 32.465 31.823 -1.385 0.000 1.005 268 V HN 0.970 nan 8.190 nan 0.000 0.428 269 W N 4.535 125.723 121.300 -0.186 0.000 2.936 269 W HA 0.681 5.341 4.660 -0.000 0.000 0.338 269 W C -0.439 176.166 176.519 0.143 0.000 1.121 269 W CA -0.793 56.562 57.345 0.015 0.000 1.209 269 W CB 1.473 30.933 29.460 -0.001 0.000 1.420 269 W HN 0.455 nan 8.180 nan 0.000 0.516 270 L N 4.690 126.199 121.223 0.477 0.000 2.483 270 L HA 0.050 4.390 4.340 -0.000 0.000 0.276 270 L C -0.824 176.167 176.870 0.201 0.000 1.213 270 L CA -1.005 54.065 54.840 0.383 0.000 0.843 270 L CB 0.656 42.917 42.059 0.337 0.000 1.107 270 L HN 0.246 nan 8.230 nan 0.000 0.487 271 P HA 0.054 nan 4.420 nan 0.000 0.245 271 P C 0.384 178.008 177.300 0.539 0.000 1.212 271 P CA 0.568 63.688 63.100 0.034 0.000 0.774 271 P CB 0.532 32.073 31.700 -0.264 0.000 0.999 272 G N -0.945 108.130 108.800 0.458 0.000 2.618 272 G HA2 0.093 4.053 3.960 -0.000 0.000 0.234 272 G HA3 0.093 4.053 3.960 -0.000 0.000 0.234 272 G C -1.040 174.015 174.900 0.259 0.000 2.826 272 G CA -0.665 44.679 45.100 0.407 0.000 0.836 272 G HN 0.060 nan 8.290 nan 0.000 0.498 273 V N 1.251 121.208 119.914 0.073 0.000 2.487 273 V HA 0.726 4.846 4.120 -0.000 0.000 0.298 273 V C 0.232 176.329 176.094 0.006 0.000 1.028 273 V CA -1.014 61.224 62.300 -0.103 0.000 0.860 273 V CB 1.784 33.390 31.823 -0.363 0.000 0.991 273 V HN 0.548 nan 8.190 nan 0.000 0.427 274 L N 4.197 125.450 121.223 0.050 0.000 2.379 274 L HA 0.623 4.962 4.340 -0.000 0.000 0.269 274 L C -0.079 176.882 176.870 0.151 0.000 1.084 274 L CA 0.192 55.099 54.840 0.111 0.000 0.802 274 L CB 1.195 43.384 42.059 0.216 0.000 1.175 274 L HN 0.734 nan 8.230 nan 0.000 0.448 275 K N 3.113 123.596 120.400 0.139 0.000 2.637 275 K HA 0.529 4.849 4.320 -0.000 0.000 0.248 275 K C -2.075 174.513 176.600 -0.018 0.000 0.971 275 K CA -0.595 55.706 56.287 0.023 0.000 0.858 275 K CB 1.482 34.083 32.500 0.169 0.000 1.170 275 K HN 0.420 nan 8.250 nan 0.000 0.443 276 V N 3.378 123.230 119.914 -0.103 0.000 2.347 276 V HA 0.285 4.405 4.120 -0.000 0.000 0.280 276 V C -0.727 175.335 176.094 -0.054 0.000 1.021 276 V CA -0.677 61.587 62.300 -0.059 0.000 0.847 276 V CB 1.309 33.075 31.823 -0.095 0.000 0.990 276 V HN 0.721 nan 8.190 nan 0.000 0.444 277 D N 7.085 127.468 120.400 -0.027 0.000 2.469 277 D HA 0.496 5.136 4.640 -0.000 0.000 0.251 277 D C -2.785 173.522 176.300 0.011 0.000 1.173 277 D CA -1.618 52.367 54.000 -0.025 0.000 0.882 277 D CB 3.029 43.810 40.800 -0.031 0.000 1.129 277 D HN 0.297 nan 8.370 nan 0.000 0.549 278 P HA 0.597 nan 4.420 nan 0.000 0.287 278 P C -1.138 176.250 177.300 0.147 0.000 1.290 278 P CA -0.704 62.412 63.100 0.027 0.000 0.889 278 P CB 1.784 33.477 31.700 -0.012 0.000 1.190 279 F N 0.896 120.778 119.950 -0.114 0.000 2.740 279 F HA 0.247 4.774 4.527 -0.000 0.000 0.312 279 F C -2.305 173.393 175.800 -0.169 0.000 1.121 279 F CA -1.376 56.560 58.000 -0.107 0.000 0.977 279 F CB 1.890 40.839 39.000 -0.084 0.000 1.265 279 F HN 0.133 nan 8.300 nan 0.000 0.443 280 P HA 0.094 nan 4.420 nan 0.000 0.253 280 P C -0.809 176.165 177.300 -0.544 0.000 1.260 280 P CA 0.871 63.156 63.100 -1.359 0.000 0.800 280 P CB 0.315 31.443 31.700 -0.954 0.000 1.162 281 D N -1.031 119.143 120.400 -0.376 0.000 2.596 281 D HA 0.306 4.946 4.640 -0.000 0.000 0.234 281 D C -2.112 174.098 176.300 -0.150 0.000 1.181 281 D CA -2.314 51.576 54.000 -0.183 0.000 0.856 281 D CB 1.880 42.550 40.800 -0.217 0.000 1.498 281 D HN -0.381 nan 8.370 nan 0.000 0.446 282 P HA -0.080 nan 4.420 nan 0.000 0.219 282 P C 0.775 178.035 177.300 -0.066 0.000 1.146 282 P CA 1.412 64.489 63.100 -0.038 0.000 0.808 282 P CB 0.035 31.733 31.700 -0.004 0.000 0.779 283 T N -4.350 110.151 114.554 -0.087 0.000 3.169 283 T HA 0.227 4.577 4.350 -0.000 0.000 0.250 283 T C 0.399 174.972 174.700 -0.213 0.000 1.111 283 T CA 0.152 62.186 62.100 -0.109 0.000 1.010 283 T CB -0.694 68.146 68.868 -0.047 0.000 0.984 283 T HN -0.073 nan 8.240 nan 0.000 0.537 284 L N 0.070 121.144 121.223 -0.249 0.000 2.359 284 L HA 0.685 5.025 4.340 -0.000 0.000 0.256 284 L C -0.823 175.930 176.870 -0.196 0.000 1.026 284 L CA -1.505 53.159 54.840 -0.295 0.000 0.828 284 L CB 2.453 44.237 42.059 -0.458 0.000 1.406 284 L HN 0.033 nan 8.230 nan 0.000 0.413 285 I N 1.188 121.645 120.570 -0.188 0.000 2.545 285 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 285 I C -0.772 175.200 176.117 -0.241 0.000 1.040 285 I CA -0.431 60.740 61.300 -0.216 0.000 1.068 285 I CB 2.309 40.146 38.000 -0.272 0.000 1.251 285 I HN 0.591 nan 8.210 nan 0.000 0.424 286 Q N 5.224 124.897 119.800 -0.212 0.000 2.307 286 Q HA 0.454 4.794 4.340 -0.000 0.000 0.262 286 Q C -1.925 173.953 176.000 -0.203 0.000 0.961 286 Q CA -0.548 55.205 55.803 -0.085 0.000 0.882 286 Q CB 1.477 30.295 28.738 0.134 0.000 1.264 286 Q HN 0.467 nan 8.270 nan 0.000 0.446 287 Y N 1.485 121.887 120.300 0.170 0.000 2.446 287 Y HA 0.445 4.995 4.550 -0.000 0.000 0.338 287 Y C -0.239 175.744 175.900 0.138 0.000 1.055 287 Y CA -0.678 57.515 58.100 0.155 0.000 1.101 287 Y CB 1.908 40.557 38.460 0.314 0.000 1.221 287 Y HN 0.521 nan 8.280 nan 0.000 0.460 288 E N 2.461 122.734 120.200 0.122 0.000 2.292 288 E HA 0.484 4.834 4.350 -0.000 0.000 0.272 288 E C -1.780 174.630 176.600 -0.318 0.000 0.881 288 E CA -0.770 55.642 56.400 0.020 0.000 0.754 288 E CB 2.314 32.062 29.700 0.081 0.000 1.201 288 E HN 0.345 nan 8.360 nan 0.000 0.425 289 F N 0.888 120.715 119.950 -0.205 0.000 2.546 289 F HA 0.424 4.951 4.527 -0.000 0.000 0.320 289 F C -0.571 175.119 175.800 -0.183 0.000 1.076 289 F CA -0.784 57.150 58.000 -0.110 0.000 0.928 289 F CB 1.178 40.138 39.000 -0.067 0.000 1.189 289 F HN 0.378 nan 8.300 nan 0.000 0.465 290 Y N 1.303 121.951 120.300 0.579 0.000 2.584 290 Y HA 0.441 4.991 4.550 -0.000 0.000 0.358 290 Y C -0.625 175.545 175.900 0.451 0.000 1.028 290 Y CA -1.090 57.340 58.100 0.549 0.000 1.148 290 Y CB 0.486 39.127 38.460 0.302 0.000 1.126 290 Y HN 0.178 nan 8.280 nan 0.000 0.658 291 V N 3.433 123.646 119.914 0.499 0.000 2.479 291 V HA 0.155 4.275 4.120 -0.000 0.000 0.281 291 V C -2.102 174.086 176.094 0.157 0.000 1.031 291 V CA -1.909 60.505 62.300 0.189 0.000 1.038 291 V CB 0.541 32.450 31.823 0.144 0.000 0.981 291 V HN 0.320 nan 8.190 nan 0.000 0.478 292 P HA 0.202 nan 4.420 nan 0.000 0.266 292 P C 0.508 177.815 177.300 0.011 0.000 1.195 292 P CA 0.305 63.396 63.100 -0.015 0.000 0.768 292 P CB 0.815 32.325 31.700 -0.316 0.000 0.838 293 I N 0.285 120.912 120.570 0.095 0.000 3.136 293 I HA 0.019 4.189 4.170 -0.000 0.000 0.262 293 I C 1.164 177.306 176.117 0.043 0.000 1.132 293 I CA 0.818 62.152 61.300 0.058 0.000 1.450 293 I CB 0.181 38.229 38.000 0.079 0.000 1.315 293 I HN 0.423 nan 8.210 nan 0.000 0.460 294 S N -0.703 115.044 115.700 0.080 0.000 2.903 294 S HA 0.344 4.814 4.470 -0.000 0.000 0.314 294 S C 0.212 174.879 174.600 0.111 0.000 1.177 294 S CA -0.600 57.642 58.200 0.070 0.000 0.859 294 S CB 1.382 64.621 63.200 0.065 0.000 1.265 294 S HN -0.003 nan 8.310 nan 0.000 0.584 295 E N 1.023 121.284 120.200 0.101 0.000 2.347 295 E HA 0.058 4.408 4.350 -0.000 0.000 0.196 295 E C 1.357 178.051 176.600 0.157 0.000 1.008 295 E CA 1.448 57.925 56.400 0.127 0.000 0.852 295 E CB -0.150 29.606 29.700 0.093 0.000 0.783 295 E HN 0.799 nan 8.360 nan 0.000 0.505 296 T N -3.207 111.433 114.554 0.143 0.000 3.091 296 T HA 0.272 4.622 4.350 -0.000 0.000 0.277 296 T C 0.298 175.100 174.700 0.170 0.000 0.996 296 T CA -0.497 61.692 62.100 0.149 0.000 0.897 296 T CB 0.245 69.180 68.868 0.111 0.000 1.109 296 T HN -0.121 nan 8.240 nan 0.000 0.534 297 Q N 1.186 121.102 119.800 0.193 0.000 2.456 297 Q HA 0.515 4.855 4.340 -0.000 0.000 0.284 297 Q C -1.216 174.957 176.000 0.288 0.000 1.061 297 Q CA -1.139 54.775 55.803 0.186 0.000 0.799 297 Q CB 2.168 30.967 28.738 0.102 0.000 1.445 297 Q HN 0.637 nan 8.270 nan 0.000 0.411 298 H N -0.912 118.273 119.070 0.192 0.000 3.016 298 H HA 0.502 5.058 4.556 -0.000 0.000 0.362 298 H C -1.480 173.991 175.328 0.237 0.000 1.233 298 H CA -0.927 55.266 56.048 0.242 0.000 1.124 298 H CB 1.971 31.954 29.762 0.368 0.000 1.850 298 H HN 0.591 nan 8.280 nan 0.000 0.549 299 E N 1.617 122.021 120.200 0.340 0.000 2.115 299 E HA 0.168 4.517 4.350 -0.000 0.000 0.282 299 E C -1.638 175.233 176.600 0.452 0.000 0.987 299 E CA -0.665 55.876 56.400 0.235 0.000 0.797 299 E CB 0.307 30.128 29.700 0.202 0.000 1.086 299 E HN 0.420 nan 8.360 nan 0.000 0.397 300 Y N 6.155 126.547 120.300 0.153 0.000 2.425 300 Y HA 0.363 4.913 4.550 -0.000 0.000 0.347 300 Y C -1.501 174.465 175.900 0.110 0.000 0.976 300 Y CA -1.228 57.011 58.100 0.232 0.000 1.190 300 Y CB -0.043 38.537 38.460 0.200 0.000 1.136 300 Y HN 0.397 nan 8.280 nan 0.000 0.517 301 F N 4.358 124.307 119.950 -0.001 0.000 2.421 301 F HA 0.490 5.017 4.527 -0.000 0.000 0.337 301 F C -0.178 175.546 175.800 -0.127 0.000 1.105 301 F CA -0.557 57.425 58.000 -0.030 0.000 1.049 301 F CB 1.600 40.634 39.000 0.058 0.000 1.139 301 F HN 0.355 nan 8.300 nan 0.000 0.479 302 Q N 2.698 122.536 119.800 0.062 0.000 2.327 302 Q HA 0.638 4.978 4.340 -0.000 0.000 0.270 302 Q C -1.473 174.696 176.000 0.282 0.000 1.022 302 Q CA -0.716 55.121 55.803 0.056 0.000 0.773 302 Q CB 2.737 31.381 28.738 -0.157 0.000 1.251 302 Q HN 0.409 nan 8.270 nan 0.000 0.457 303 V N 4.017 124.168 119.914 0.395 0.000 2.531 303 V HA 0.461 4.581 4.120 -0.000 0.000 0.301 303 V C -0.468 175.831 176.094 0.342 0.000 1.034 303 V CA -0.739 61.805 62.300 0.406 0.000 0.865 303 V CB 1.533 33.700 31.823 0.574 0.000 0.995 303 V HN 0.663 nan 8.190 nan 0.000 0.424 304 L N 4.364 125.733 121.223 0.243 0.000 2.295 304 L HA 0.616 4.956 4.340 -0.000 0.000 0.285 304 L C -0.095 176.905 176.870 0.216 0.000 1.035 304 L CA -0.264 54.707 54.840 0.217 0.000 0.806 304 L CB 1.635 43.857 42.059 0.272 0.000 1.214 304 L HN 0.701 nan 8.230 nan 0.000 0.426 305 Q N 3.508 123.350 119.800 0.071 0.000 2.331 305 Q HA 0.508 4.848 4.340 -0.000 0.000 0.267 305 Q C -1.048 174.782 176.000 -0.284 0.000 1.006 305 Q CA -0.900 54.877 55.803 -0.045 0.000 0.818 305 Q CB 2.101 30.884 28.738 0.076 0.000 1.276 305 Q HN 0.494 nan 8.270 nan 0.000 0.450 306 R N 2.810 123.008 120.500 -0.503 0.000 2.621 306 R HA 0.363 4.703 4.340 -0.000 0.000 0.292 306 R C -1.579 174.523 176.300 -0.330 0.000 0.969 306 R CA -0.594 55.125 56.100 -0.635 0.000 0.887 306 R CB 1.385 30.823 30.300 -1.436 0.000 1.180 306 R HN 0.545 nan 8.270 nan 0.000 0.450 307 K N 3.298 123.566 120.400 -0.220 0.000 2.322 307 K HA 0.373 4.693 4.320 -0.000 0.000 0.283 307 K C -0.717 175.823 176.600 -0.100 0.000 1.042 307 K CA -0.423 55.791 56.287 -0.122 0.000 0.958 307 K CB 0.639 33.086 32.500 -0.088 0.000 0.984 307 K HN 0.509 nan 8.250 nan 0.000 0.473 308 V N 0.792 120.674 119.914 -0.053 0.000 2.876 308 V HA 0.427 4.547 4.120 -0.000 0.000 0.312 308 V C -0.076 176.010 176.094 -0.014 0.000 1.085 308 V CA -0.645 61.639 62.300 -0.026 0.000 0.945 308 V CB 1.970 33.792 31.823 -0.001 0.000 1.017 308 V HN 0.796 nan 8.190 nan 0.000 0.428 309 E N 2.203 122.397 120.200 -0.009 0.000 2.460 309 E HA 0.440 4.789 4.350 -0.000 0.000 0.200 309 E C 0.691 177.289 176.600 -0.003 0.000 1.011 309 E CA 1.046 57.443 56.400 -0.006 0.000 0.912 309 E CB 1.459 31.157 29.700 -0.004 0.000 0.953 309 E HN 1.161 nan 8.360 nan 0.000 0.494 310 G N 0.485 109.284 108.800 -0.003 0.000 2.430 310 G HA2 0.214 4.174 3.960 -0.000 0.000 0.300 310 G HA3 0.214 4.174 3.960 -0.000 0.000 0.300 310 G C -2.480 172.413 174.900 -0.011 0.000 1.330 310 G CA -0.795 44.302 45.100 -0.004 0.000 0.813 310 G HN -0.306 nan 8.290 nan 0.000 0.487 311 P HA -0.060 nan 4.420 nan 0.000 0.216 311 P C 1.466 178.754 177.300 -0.020 0.000 1.150 311 P CA 1.609 64.695 63.100 -0.024 0.000 0.843 311 P CB 0.321 32.012 31.700 -0.015 0.000 0.787 312 E N -0.281 119.916 120.200 -0.006 0.000 2.051 312 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 312 E C 1.404 178.014 176.600 0.017 0.000 0.991 312 E CA 1.349 57.752 56.400 0.005 0.000 0.799 312 E CB -0.367 29.339 29.700 0.008 0.000 0.748 312 E HN 0.152 nan 8.360 nan 0.000 0.449 313 D N 0.078 120.488 120.400 0.016 0.000 2.144 313 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 313 D C 2.087 178.422 176.300 0.059 0.000 0.984 313 D CA 0.899 54.921 54.000 0.037 0.000 0.834 313 D CB -0.173 40.638 40.800 0.018 0.000 0.955 313 D HN 0.119 nan 8.370 nan 0.000 0.465 314 V N 0.941 120.852 119.914 -0.006 0.000 2.261 314 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 314 V C 2.316 178.398 176.094 -0.021 0.000 1.047 314 V CA 1.631 63.879 62.300 -0.088 0.000 1.015 314 V CB -0.328 31.327 31.823 -0.280 0.000 0.642 314 V HN 0.042 nan 8.190 nan 0.000 0.446 315 K N 0.219 120.610 120.400 -0.015 0.000 2.063 315 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 315 K C 2.213 178.848 176.600 0.059 0.000 1.048 315 K CA 1.891 58.183 56.287 0.008 0.000 0.928 315 K CB -1.084 31.418 32.500 0.003 0.000 0.713 315 K HN 0.501 nan 8.250 nan 0.000 0.442 316 T N 0.762 115.371 114.554 0.092 0.000 2.746 316 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 316 T C 1.433 176.278 174.700 0.241 0.000 1.039 316 T CA 1.206 63.384 62.100 0.130 0.000 1.142 316 T CB -0.370 68.570 68.868 0.121 0.000 0.866 316 T HN 0.138 nan 8.240 nan 0.000 0.444 317 F N 2.337 122.347 119.950 0.101 0.000 2.102 317 F HA -0.038 4.489 4.527 -0.000 0.000 0.298 317 F C 2.152 178.084 175.800 0.219 0.000 1.105 317 F CA 1.153 59.267 58.000 0.191 0.000 1.239 317 F CB -0.669 38.416 39.000 0.142 0.000 0.991 317 F HN 0.229 nan 8.300 nan 0.000 0.474 318 E N -0.317 119.887 120.200 0.007 0.000 2.118 318 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 318 E C 2.341 178.957 176.600 0.026 0.000 0.992 318 E CA 1.584 57.927 56.400 -0.095 0.000 0.804 318 E CB -0.421 29.249 29.700 -0.049 0.000 0.741 318 E HN 0.307 nan 8.360 nan 0.000 0.458 319 V N 1.645 121.591 119.914 0.053 0.000 2.307 319 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 319 V C 2.056 178.159 176.094 0.016 0.000 1.045 319 V CA 1.874 64.195 62.300 0.034 0.000 1.024 319 V CB -0.456 31.383 31.823 0.026 0.000 0.651 319 V HN 0.234 nan 8.190 nan 0.000 0.449 320 E N -0.537 119.693 120.200 0.051 0.000 2.110 320 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 320 E C 2.062 178.575 176.600 -0.145 0.000 0.988 320 E CA 1.544 57.876 56.400 -0.113 0.000 0.804 320 E CB -0.266 29.424 29.700 -0.016 0.000 0.745 320 E HN 0.592 nan 8.360 nan 0.000 0.458 321 F N 2.277 122.219 119.950 -0.013 0.000 2.069 321 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 321 F C 2.421 178.184 175.800 -0.063 0.000 1.113 321 F CA 2.022 60.035 58.000 0.020 0.000 1.214 321 F CB -0.079 38.789 39.000 -0.221 0.000 0.978 321 F HN -0.095 nan 8.300 nan 0.000 0.474 322 E N 0.478 120.689 120.200 0.019 0.000 2.077 322 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 322 E C 1.870 178.393 176.600 -0.128 0.000 0.989 322 E CA 2.033 58.396 56.400 -0.063 0.000 0.800 322 E CB -0.364 29.344 29.700 0.013 0.000 0.746 322 E HN 0.629 nan 8.360 nan 0.000 0.452 323 E N -0.905 119.218 120.200 -0.129 0.000 2.385 323 E HA 0.071 4.421 4.350 -0.000 0.000 0.194 323 E C 1.886 178.373 176.600 -0.189 0.000 1.013 323 E CA 0.264 56.581 56.400 -0.138 0.000 0.866 323 E CB 0.477 30.107 29.700 -0.118 0.000 0.832 323 E HN 0.092 nan 8.360 nan 0.000 0.500 324 R N -0.696 119.632 120.500 -0.286 0.000 4.528 324 R HA 0.049 4.389 4.340 -0.000 0.000 0.121 324 R C 1.176 177.303 176.300 -0.288 0.000 0.727 324 R CA 0.032 55.936 56.100 -0.325 0.000 0.977 324 R CB -0.489 29.488 30.300 -0.538 0.000 1.506 324 R HN 0.053 nan 8.270 nan 0.000 0.428 325 W N 1.993 123.177 121.300 -0.194 0.000 2.302 325 W HA -0.205 4.455 4.660 -0.000 0.000 0.320 325 W C 2.430 178.630 176.519 -0.532 0.000 1.241 325 W CA 1.298 58.450 57.345 -0.323 0.000 1.264 325 W CB -0.306 29.111 29.460 -0.071 0.000 1.154 325 W HN 0.244 nan 8.180 nan 0.000 0.483 326 R N 0.604 120.763 120.500 -0.569 0.000 2.082 326 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 326 R C 1.661 177.776 176.300 -0.308 0.000 1.136 326 R CA 2.356 58.041 56.100 -0.692 0.000 0.935 326 R CB -0.529 29.153 30.300 -1.029 0.000 0.842 326 R HN 0.097 nan 8.270 nan 0.000 0.430 327 D N -0.082 120.209 120.400 -0.182 0.000 2.213 327 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 327 D C 1.358 177.643 176.300 -0.025 0.000 0.961 327 D CA 0.820 54.821 54.000 0.001 0.000 0.853 327 D CB -0.213 40.580 40.800 -0.012 0.000 0.967 327 D HN 0.243 nan 8.370 nan 0.000 0.496 328 D N 0.232 120.560 120.400 -0.120 0.000 2.183 328 D HA 0.019 4.659 4.640 -0.000 0.000 0.203 328 D C 1.680 177.766 176.300 -0.357 0.000 0.969 328 D CA 0.861 54.810 54.000 -0.085 0.000 0.842 328 D CB 0.280 41.114 40.800 0.057 0.000 0.957 328 D HN 0.163 nan 8.370 nan 0.000 0.484 329 A N -0.075 122.355 122.820 -0.651 0.000 2.042 329 A HA 0.179 4.499 4.320 -0.000 0.000 0.207 329 A C 2.086 179.513 177.584 -0.262 0.000 1.598 329 A CA -0.184 51.369 52.037 -0.807 0.000 0.818 329 A CB -0.538 17.693 19.000 -1.283 0.000 1.169 329 A HN 0.058 nan 8.150 nan 0.000 0.548 330 L N -0.320 120.755 121.223 -0.248 0.000 2.189 330 L HA -0.204 4.136 4.340 -0.000 0.000 0.214 330 L C 2.443 179.185 176.870 -0.214 0.000 1.097 330 L CA 1.303 56.026 54.840 -0.195 0.000 0.764 330 L CB -0.609 41.273 42.059 -0.294 0.000 0.900 330 L HN 0.504 nan 8.230 nan 0.000 0.436 331 H N -1.303 117.761 119.070 -0.010 0.000 2.367 331 H HA 0.123 4.679 4.556 -0.000 0.000 0.304 331 H C 2.204 177.574 175.328 0.070 0.000 1.023 331 H CA 1.015 57.088 56.048 0.042 0.000 1.342 331 H CB -0.437 29.329 29.762 0.006 0.000 1.486 331 H HN 0.179 nan 8.280 nan 0.000 0.596 332 G N 0.132 109.034 108.800 0.171 0.000 2.475 332 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 332 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 332 G C 1.520 176.550 174.900 0.216 0.000 1.125 332 G CA 0.904 46.108 45.100 0.173 0.000 0.755 332 G HN 0.321 nan 8.290 nan 0.000 0.565 333 F N 0.673 120.640 119.950 0.029 0.000 2.315 333 F HA 0.263 4.790 4.527 -0.000 0.000 0.284 333 F C 2.262 178.095 175.800 0.056 0.000 1.049 333 F CA 0.742 58.771 58.000 0.047 0.000 1.323 333 F CB 0.054 39.041 39.000 -0.021 0.000 1.113 333 F HN 0.099 nan 8.300 nan 0.000 0.544 334 N N 0.174 119.013 118.700 0.232 0.000 2.446 334 N HA -0.121 4.619 4.740 -0.000 0.000 0.179 334 N C 1.012 176.650 175.510 0.213 0.000 1.054 334 N CA 0.713 53.901 53.050 0.231 0.000 0.905 334 N CB -0.068 38.647 38.487 0.379 0.000 0.973 334 N HN 0.162 nan 8.380 nan 0.000 0.448 335 D N 1.266 121.794 120.400 0.213 0.000 2.133 335 D HA -0.178 4.462 4.640 -0.000 0.000 0.195 335 D C 1.152 177.547 176.300 0.158 0.000 0.997 335 D CA 1.111 55.253 54.000 0.237 0.000 0.840 335 D CB -0.243 40.715 40.800 0.264 0.000 0.947 335 D HN 0.247 nan 8.370 nan 0.000 0.452 336 D N 0.605 121.059 120.400 0.090 0.000 2.221 336 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 336 D C 1.410 177.347 176.300 -0.605 0.000 0.982 336 D CA 0.649 54.514 54.000 -0.224 0.000 0.857 336 D CB -0.173 40.551 40.800 -0.126 0.000 0.934 336 D HN 0.263 nan 8.370 nan 0.000 0.475 337 D N 0.038 120.335 120.400 -0.172 0.000 2.218 337 D HA -0.086 4.554 4.640 -0.000 0.000 0.204 337 D C 2.216 178.383 176.300 -0.221 0.000 0.976 337 D CA 0.239 54.137 54.000 -0.170 0.000 0.853 337 D CB 0.242 41.060 40.800 0.030 0.000 0.939 337 D HN 0.108 nan 8.370 nan 0.000 0.481 338 V N 1.756 121.594 119.914 -0.126 0.000 2.237 338 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 338 V C 2.482 178.599 176.094 0.038 0.000 1.046 338 V CA 1.694 63.984 62.300 -0.017 0.000 1.007 338 V CB -0.836 31.055 31.823 0.114 0.000 0.638 338 V HN 0.431 nan 8.190 nan 0.000 0.445 339 W N 0.914 122.242 121.300 0.047 0.000 2.425 339 W HA 0.031 4.691 4.660 -0.000 0.000 0.277 339 W C 2.202 178.739 176.519 0.030 0.000 1.231 339 W CA 0.935 58.302 57.345 0.036 0.000 1.248 339 W CB -1.096 28.382 29.460 0.030 0.000 1.117 339 W HN 0.269 nan 8.180 nan 0.000 0.568 340 A N 2.101 124.700 122.820 -0.368 0.000 1.902 340 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 340 A C 2.240 179.776 177.584 -0.079 0.000 1.181 340 A CA 1.875 53.719 52.037 -0.322 0.000 0.623 340 A CB -0.788 17.895 19.000 -0.528 0.000 0.818 340 A HN 0.319 nan 8.150 nan 0.000 0.443 341 R N -0.277 120.182 120.500 -0.069 0.000 2.066 341 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 341 R C 2.057 178.399 176.300 0.070 0.000 1.131 341 R CA 1.571 57.667 56.100 -0.007 0.000 0.955 341 R CB -0.371 29.951 30.300 0.037 0.000 0.851 341 R HN 0.663 nan 8.270 nan 0.000 0.432 342 E N 0.632 120.898 120.200 0.110 0.000 2.204 342 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 342 E C 1.797 178.482 176.600 0.143 0.000 0.990 342 E CA 0.936 57.417 56.400 0.135 0.000 0.821 342 E CB -0.042 29.747 29.700 0.148 0.000 0.750 342 E HN 0.361 nan 8.360 nan 0.000 0.477 343 A N 0.866 123.785 122.820 0.165 0.000 2.119 343 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 343 A C 1.820 179.485 177.584 0.134 0.000 1.153 343 A CA 0.890 53.025 52.037 0.162 0.000 0.692 343 A CB -0.061 19.071 19.000 0.220 0.000 0.799 343 A HN 0.167 nan 8.150 nan 0.000 0.458 344 Q N -1.603 118.282 119.800 0.141 0.000 2.384 344 Q HA -0.024 4.316 4.340 -0.000 0.000 0.207 344 Q C 1.898 178.044 176.000 0.244 0.000 0.904 344 Q CA 0.473 56.405 55.803 0.215 0.000 0.933 344 Q CB 0.113 28.966 28.738 0.192 0.000 1.077 344 Q HN 0.617 nan 8.270 nan 0.000 0.522 345 Q N 2.101 121.998 119.800 0.162 0.000 2.077 345 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 345 Q C 1.740 177.820 176.000 0.134 0.000 0.989 345 Q CA 1.980 57.868 55.803 0.142 0.000 0.853 345 Q CB -0.038 28.773 28.738 0.122 0.000 0.907 345 Q HN 0.449 nan 8.270 nan 0.000 0.418 346 E N -1.342 118.935 120.200 0.128 0.000 2.051 346 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 346 E C 1.814 178.478 176.600 0.106 0.000 0.991 346 E CA 1.113 57.575 56.400 0.104 0.000 0.799 346 E CB -0.390 29.366 29.700 0.094 0.000 0.748 346 E HN 0.430 nan 8.360 nan 0.000 0.449 347 F N 0.526 120.443 119.950 -0.056 0.000 2.046 347 F HA -0.251 4.276 4.527 -0.000 0.000 0.297 347 F C 1.861 177.486 175.800 -0.292 0.000 1.123 347 F CA 1.813 59.702 58.000 -0.184 0.000 1.199 347 F CB -0.718 38.128 39.000 -0.257 0.000 0.972 347 F HN 0.094 nan 8.300 nan 0.000 0.474 348 Y N -0.237 119.882 120.300 -0.301 0.000 2.286 348 Y HA 0.081 4.631 4.550 -0.000 0.000 0.293 348 Y C 2.677 178.406 175.900 -0.284 0.000 1.124 348 Y CA 1.281 59.012 58.100 -0.615 0.000 1.178 348 Y CB -1.033 36.974 38.460 -0.755 0.000 1.010 348 Y HN 0.132 nan 8.280 nan 0.000 0.536 349 G N -0.773 108.059 108.800 0.052 0.000 2.453 349 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.215 349 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.215 349 G C 1.258 176.195 174.900 0.062 0.000 1.147 349 G CA 0.699 45.861 45.100 0.103 0.000 0.802 349 G HN 0.405 nan 8.290 nan 0.000 0.535 350 E N -0.808 119.402 120.200 0.016 0.000 2.421 350 E HA 0.145 4.495 4.350 -0.000 0.000 0.209 350 E C 1.412 177.996 176.600 -0.028 0.000 0.871 350 E CA -0.278 56.129 56.400 0.012 0.000 1.064 350 E CB 0.511 30.229 29.700 0.029 0.000 1.075 350 E HN -0.007 nan 8.360 nan 0.000 0.513 351 R N 1.476 121.920 120.500 -0.094 0.000 2.515 351 R HA 0.088 4.428 4.340 -0.000 0.000 0.294 351 R C -0.510 175.629 176.300 -0.269 0.000 1.021 351 R CA 0.004 56.026 56.100 -0.131 0.000 1.081 351 R CB -0.413 29.855 30.300 -0.053 0.000 1.263 351 R HN 0.098 nan 8.270 nan 0.000 0.557 352 D N 0.098 120.359 120.400 -0.231 0.000 2.708 352 D HA -0.156 4.484 4.640 -0.000 0.000 0.236 352 D C 1.218 177.220 176.300 -0.497 0.000 1.146 352 D CA 1.042 54.922 54.000 -0.199 0.000 0.662 352 D CB -0.926 39.825 40.800 -0.080 0.000 1.059 352 D HN 0.447 nan 8.370 nan 0.000 0.428 353 G N -0.899 107.236 108.800 -1.109 0.000 2.479 353 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 353 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 353 G C 1.328 175.633 174.900 -0.990 0.000 1.115 353 G CA 0.882 44.732 45.100 -2.083 0.000 0.757 353 G HN 0.571 nan 8.290 nan 0.000 0.560 354 W N 1.194 122.358 121.300 -0.227 0.000 2.350 354 W HA -0.045 4.615 4.660 -0.000 0.000 0.289 354 W C 2.902 179.488 176.519 0.112 0.000 1.215 354 W CA 1.265 58.701 57.345 0.151 0.000 1.236 354 W CB -0.015 29.572 29.460 0.211 0.000 1.130 354 W HN 0.325 nan 8.180 nan 0.000 0.541 355 S N -1.049 114.752 115.700 0.168 0.000 2.524 355 S HA 0.171 4.641 4.470 -0.000 0.000 0.215 355 S C 1.252 175.890 174.600 0.063 0.000 0.986 355 S CA -0.121 58.154 58.200 0.125 0.000 0.911 355 S CB 0.019 63.266 63.200 0.079 0.000 0.805 355 S HN 0.220 nan 8.310 nan 0.000 0.501 356 K N 1.290 121.680 120.400 -0.017 0.000 2.360 356 K HA 0.158 4.478 4.320 -0.000 0.000 0.196 356 K C 0.272 176.984 176.600 0.187 0.000 1.049 356 K CA -0.018 56.303 56.287 0.057 0.000 1.049 356 K CB 0.393 32.913 32.500 0.033 0.000 0.881 356 K HN 0.708 nan 8.250 nan 0.000 0.542 357 E N 1.759 122.074 120.200 0.190 0.000 2.436 357 E HA -0.060 4.290 4.350 -0.000 0.000 0.262 357 E C -0.635 176.084 176.600 0.198 0.000 1.063 357 E CA 0.294 56.855 56.400 0.268 0.000 0.944 357 E CB 0.340 30.231 29.700 0.318 0.000 0.950 357 E HN 0.001 nan 8.360 nan 0.000 0.444 358 Q N 2.149 122.042 119.800 0.155 0.000 2.394 358 Q HA 0.321 4.661 4.340 -0.000 0.000 0.261 358 Q C -0.665 175.422 176.000 0.145 0.000 1.023 358 Q CA -0.339 55.539 55.803 0.125 0.000 0.720 358 Q CB 1.342 30.118 28.738 0.063 0.000 1.241 358 Q HN 0.484 nan 8.270 nan 0.000 0.483 359 L N 2.277 123.620 121.223 0.201 0.000 2.468 359 L HA 0.562 4.901 4.340 -0.000 0.000 0.254 359 L C -0.085 176.985 176.870 0.335 0.000 1.171 359 L CA -0.721 54.281 54.840 0.270 0.000 0.809 359 L CB 0.177 42.377 42.059 0.235 0.000 1.155 359 L HN 0.464 nan 8.230 nan 0.000 0.473 360 F N -1.835 118.138 119.950 0.038 0.000 2.629 360 F HA 0.582 5.109 4.527 -0.000 0.000 0.316 360 F C -2.413 173.396 175.800 0.015 0.000 1.081 360 F CA -2.861 55.152 58.000 0.020 0.000 0.954 360 F CB -0.131 38.872 39.000 0.004 0.000 1.337 360 F HN 0.125 nan 8.300 nan 0.000 0.474 361 P HA -0.207 nan 4.420 nan 0.000 0.225 361 P C -1.546 175.535 177.300 -0.365 0.000 1.154 361 P CA 3.251 66.217 63.100 -0.223 0.000 0.933 361 P CB -1.168 30.436 31.700 -0.160 0.000 0.790 362 P HA -0.131 nan 4.420 nan 0.000 0.219 362 P C 0.850 177.949 177.300 -0.336 0.000 1.146 362 P CA 1.396 64.205 63.100 -0.486 0.000 0.808 362 P CB -0.476 30.839 31.700 -0.642 0.000 0.779 363 D N -1.616 118.587 120.400 -0.330 0.000 2.371 363 D HA -0.047 4.593 4.640 -0.000 0.000 0.221 363 D C 1.688 177.934 176.300 -0.089 0.000 0.986 363 D CA 0.659 54.583 54.000 -0.127 0.000 0.899 363 D CB -0.276 40.536 40.800 0.020 0.000 0.902 363 D HN 0.112 nan 8.370 nan 0.000 0.530 364 M N 0.620 120.161 119.600 -0.099 0.000 2.202 364 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 364 M C 2.526 178.806 176.300 -0.033 0.000 1.063 364 M CA 0.786 56.055 55.300 -0.051 0.000 1.097 364 M CB -1.430 31.137 32.600 -0.056 0.000 1.382 364 M HN 0.290 nan 8.290 nan 0.000 0.413 365 C N -1.165 118.096 119.300 -0.065 0.000 2.435 365 C HA -0.043 4.417 4.460 -0.000 0.000 0.279 365 C C 2.586 177.675 174.990 0.165 0.000 1.321 365 C CA 0.021 59.039 59.018 0.000 0.000 1.752 365 C CB -1.539 26.033 27.740 -0.280 0.000 1.959 365 C HN 0.474 nan 8.230 nan 0.000 0.500 366 I N 1.316 121.907 120.570 0.034 0.000 2.353 366 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 366 I C 2.739 178.851 176.117 -0.009 0.000 1.119 366 I CA 1.143 62.528 61.300 0.142 0.000 1.417 366 I CB -0.251 37.770 38.000 0.035 0.000 1.078 366 I HN 0.195 nan 8.210 nan 0.000 0.421 367 V N 0.966 120.811 119.914 -0.114 0.000 2.407 367 V HA -0.273 3.846 4.120 -0.000 0.000 0.248 367 V C 2.361 178.340 176.094 -0.192 0.000 1.055 367 V CA 1.773 63.904 62.300 -0.282 0.000 1.049 367 V CB -0.656 31.116 31.823 -0.085 0.000 0.662 367 V HN 0.387 nan 8.190 nan 0.000 0.455 368 K N -0.573 119.807 120.400 -0.034 0.000 2.097 368 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 368 K C 2.066 178.642 176.600 -0.039 0.000 1.050 368 K CA 1.776 58.059 56.287 -0.007 0.000 0.938 368 K CB -0.285 32.243 32.500 0.046 0.000 0.718 368 K HN 0.747 nan 8.250 nan 0.000 0.442 369 W N 2.645 123.851 121.300 -0.156 0.000 2.381 369 W HA -0.165 4.495 4.660 -0.000 0.000 0.301 369 W C 1.326 177.621 176.519 -0.373 0.000 1.205 369 W CA 1.091 58.295 57.345 -0.235 0.000 1.285 369 W CB -0.133 29.206 29.460 -0.201 0.000 1.133 369 W HN -0.045 nan 8.180 nan 0.000 0.521 370 R N 0.127 119.985 120.500 -1.070 0.000 2.092 370 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 370 R C 2.237 178.081 176.300 -0.760 0.000 1.119 370 R CA 2.078 57.229 56.100 -1.582 0.000 0.970 370 R CB -1.024 28.197 30.300 -1.799 0.000 0.864 370 R HN 0.128 nan 8.270 nan 0.000 0.440 371 T N 2.043 116.375 114.554 -0.370 0.000 2.737 371 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 371 T C 1.816 176.427 174.700 -0.147 0.000 1.038 371 T CA 0.957 63.020 62.100 -0.061 0.000 1.144 371 T CB -0.204 68.687 68.868 0.038 0.000 0.866 371 T HN 0.072 nan 8.240 nan 0.000 0.434 372 L N 1.404 122.489 121.223 -0.230 0.000 2.046 372 L HA 0.100 4.440 4.340 -0.000 0.000 0.208 372 L C 2.578 179.276 176.870 -0.287 0.000 1.077 372 L CA 1.832 56.546 54.840 -0.210 0.000 0.747 372 L CB -0.961 40.998 42.059 -0.167 0.000 0.896 372 L HN 0.217 nan 8.230 nan 0.000 0.432 373 A N -1.652 120.855 122.820 -0.522 0.000 1.898 373 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 373 A C 2.524 179.944 177.584 -0.273 0.000 1.181 373 A CA 1.833 53.529 52.037 -0.569 0.000 0.620 373 A CB -1.130 17.331 19.000 -0.899 0.000 0.819 373 A HN 0.520 nan 8.150 nan 0.000 0.442 374 S N -0.415 115.246 115.700 -0.064 0.000 2.382 374 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 374 S C 1.788 176.417 174.600 0.049 0.000 1.027 374 S CA 1.699 59.982 58.200 0.139 0.000 0.991 374 S CB -0.323 62.990 63.200 0.187 0.000 0.823 374 S HN 0.687 nan 8.310 nan 0.000 0.469 375 E N -0.412 119.770 120.200 -0.031 0.000 2.250 375 E HA 0.100 4.450 4.350 -0.000 0.000 0.192 375 E C 1.945 178.522 176.600 -0.039 0.000 0.986 375 E CA 0.354 56.739 56.400 -0.026 0.000 0.849 375 E CB 0.159 29.833 29.700 -0.042 0.000 0.797 375 E HN 0.281 nan 8.360 nan 0.000 0.482 376 R N 0.368 120.815 120.500 -0.088 0.000 2.373 376 R HA 0.145 4.485 4.340 -0.000 0.000 0.221 376 R C 0.781 177.110 176.300 0.047 0.000 0.893 376 R CA 0.198 56.288 56.100 -0.017 0.000 1.049 376 R CB 0.219 30.471 30.300 -0.081 0.000 1.119 376 R HN -0.019 nan 8.270 nan 0.000 0.535 377 G N 1.490 110.117 108.800 -0.288 0.000 2.202 377 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.251 377 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.251 377 G C 0.722 175.653 174.900 0.051 0.000 1.219 377 G CA -0.178 44.610 45.100 -0.520 0.000 0.943 377 G HN 0.198 nan 8.290 nan 0.000 0.465 378 R N 1.823 122.474 120.500 0.251 0.000 2.120 378 R HA 0.002 4.341 4.340 -0.000 0.000 0.234 378 R C 1.365 177.717 176.300 0.086 0.000 1.123 378 R CA 1.208 57.326 56.100 0.030 0.000 0.975 378 R CB 0.159 30.240 30.300 -0.366 0.000 0.866 378 R HN 0.586 nan 8.270 nan 0.000 0.446 379 G N -0.762 108.167 108.800 0.216 0.000 2.759 379 G HA2 0.438 4.398 3.960 -0.000 0.000 0.297 379 G HA3 0.438 4.398 3.960 -0.000 0.000 0.297 379 G C -1.567 173.537 174.900 0.341 0.000 1.434 379 G CA -0.605 44.620 45.100 0.209 0.000 0.980 379 G HN -0.090 nan 8.290 nan 0.000 0.531 380 V N 1.431 121.485 119.914 0.234 0.000 2.427 380 V HA 0.606 4.726 4.120 -0.000 0.000 0.286 380 V C 0.327 176.454 176.094 0.054 0.000 1.034 380 V CA -0.721 61.677 62.300 0.164 0.000 0.893 380 V CB 1.530 33.437 31.823 0.139 0.000 0.982 380 V HN 0.747 nan 8.190 nan 0.000 0.452 381 R N 3.778 124.269 120.500 -0.016 0.000 2.320 381 R HA 0.701 5.041 4.340 -0.000 0.000 0.319 381 R C 0.012 176.286 176.300 -0.044 0.000 0.969 381 R CA -0.214 55.868 56.100 -0.030 0.000 0.857 381 R CB 1.123 31.392 30.300 -0.052 0.000 1.160 381 R HN 0.863 nan 8.270 nan 0.000 0.491 382 A N 0.000 122.807 122.820 -0.021 0.000 2.254 382 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 382 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 382 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 382 A HN 0.000 nan 8.150 nan 0.000 0.486