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_F 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 0.000 174.345 174.600 -0.425 0.000 1.055 16 S CA 0.000 58.084 58.200 -0.193 0.000 1.107 16 S CB 0.000 63.130 63.200 -0.117 0.000 0.593 17 A N 0.473 123.047 122.820 -0.409 0.000 1.872 17 A HA 0.058 4.378 4.320 -0.000 0.000 0.214 17 A C 2.034 179.188 177.584 -0.716 0.000 1.187 17 A CA 2.064 53.626 52.037 -0.793 0.000 0.614 17 A CB -1.291 17.658 19.000 -0.085 0.000 0.826 17 A HN 0.793 nan 8.150 nan 0.000 0.442 18 Q N 0.148 119.762 119.800 -0.310 0.000 2.437 18 Q HA -0.074 4.266 4.340 -0.000 0.000 0.210 18 Q C 1.554 177.432 176.000 -0.204 0.000 0.972 18 Q CA 1.664 57.350 55.803 -0.195 0.000 0.903 18 Q CB -0.398 28.284 28.738 -0.094 0.000 0.967 18 Q HN 0.662 nan 8.270 nan 0.000 0.486 19 V N -3.752 115.997 119.914 -0.275 0.000 3.431 19 V HA 0.282 4.402 4.120 -0.000 0.000 0.253 19 V C 1.775 177.726 176.094 -0.238 0.000 1.184 19 V CA 0.864 63.041 62.300 -0.204 0.000 1.104 19 V CB 0.031 31.756 31.823 -0.162 0.000 0.799 19 V HN 0.012 nan 8.190 nan 0.000 0.462 20 K N 0.573 120.707 120.400 -0.444 0.000 2.202 20 K HA 0.169 4.489 4.320 -0.000 0.000 0.201 20 K C 0.614 177.149 176.600 -0.108 0.000 1.051 20 K CA 1.234 57.303 56.287 -0.363 0.000 0.977 20 K CB 0.132 32.239 32.500 -0.654 0.000 0.792 20 K HN 0.856 nan 8.250 nan 0.000 0.469 21 W N -0.562 120.727 121.300 -0.018 0.000 1.290 21 W HA 0.435 5.095 4.660 -0.000 0.000 0.304 21 W C -2.443 174.084 176.519 0.013 0.000 0.858 21 W CA -1.873 55.457 57.345 -0.025 0.000 1.894 21 W CB -0.107 29.300 29.460 -0.087 0.000 1.934 21 W HN -0.158 nan 8.180 nan 0.000 0.472 22 P HA -0.236 nan 4.420 nan 0.000 0.215 22 P C 1.423 178.784 177.300 0.100 0.000 1.157 22 P CA 2.026 65.152 63.100 0.043 0.000 0.868 22 P CB 0.364 32.065 31.700 0.002 0.000 0.788 23 R N -1.634 118.956 120.500 0.151 0.000 2.148 23 R HA -0.143 4.197 4.340 -0.000 0.000 0.227 23 R C 2.569 179.026 176.300 0.261 0.000 1.103 23 R CA 1.071 57.289 56.100 0.197 0.000 0.983 23 R CB -0.939 29.500 30.300 0.231 0.000 0.874 23 R HN 0.268 nan 8.270 nan 0.000 0.451 24 Y N 1.487 121.874 120.300 0.145 0.000 2.263 24 Y HA -0.096 4.454 4.550 -0.000 0.000 0.292 24 Y C 1.944 177.731 175.900 -0.188 0.000 1.130 24 Y CA 1.241 59.369 58.100 0.046 0.000 1.179 24 Y CB -0.140 38.289 38.460 -0.052 0.000 0.998 24 Y HN -0.085 nan 8.280 nan 0.000 0.532 25 L N -0.340 120.824 121.223 -0.098 0.000 2.156 25 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 25 L C 2.111 178.815 176.870 -0.276 0.000 1.095 25 L CA 1.449 56.070 54.840 -0.364 0.000 0.770 25 L CB -0.486 41.467 42.059 -0.176 0.000 0.914 25 L HN 0.221 nan 8.230 nan 0.000 0.439 26 E N 0.599 120.723 120.200 -0.126 0.000 2.152 26 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 26 E C 1.405 177.945 176.600 -0.100 0.000 0.983 26 E CA 0.666 57.021 56.400 -0.075 0.000 0.818 26 E CB -0.015 29.682 29.700 -0.005 0.000 0.758 26 E HN 0.392 nan 8.360 nan 0.000 0.467 27 A N 1.316 124.032 122.820 -0.174 0.000 2.958 27 A HA 0.028 4.348 4.320 -0.000 0.000 0.247 27 A C 1.297 178.834 177.584 -0.078 0.000 1.679 27 A CA 0.150 52.054 52.037 -0.221 0.000 1.345 27 A CB -0.752 17.879 19.000 -0.615 0.000 1.013 27 A HN 0.073 nan 8.150 nan 0.000 0.641 28 T N 0.040 114.570 114.554 -0.040 0.000 2.788 28 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 28 T C 1.332 176.146 174.700 0.189 0.000 1.044 28 T CA 1.359 63.495 62.100 0.061 0.000 1.139 28 T CB -0.132 68.758 68.868 0.036 0.000 0.867 28 T HN 0.379 nan 8.240 nan 0.000 0.454 29 L N 0.514 121.768 121.223 0.052 0.000 2.653 29 L HA 0.451 4.791 4.340 -0.000 0.000 0.231 29 L C 1.001 177.720 176.870 -0.252 0.000 1.153 29 L CA 0.538 55.357 54.840 -0.034 0.000 0.933 29 L CB -0.983 41.052 42.059 -0.040 0.000 1.175 29 L HN 0.435 nan 8.230 nan 0.000 0.473 30 G N -1.439 107.155 108.800 -0.344 0.000 2.655 30 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.680 30 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.680 30 G C -0.776 173.803 174.900 -0.535 0.000 1.302 30 G CA -0.709 43.862 45.100 -0.883 0.000 0.872 30 G HN -0.085 nan 8.290 nan 0.000 0.540 31 F N 2.409 122.208 119.950 -0.252 0.000 2.391 31 F HA 0.464 4.991 4.527 -0.000 0.000 0.359 31 F C 0.863 176.743 175.800 0.133 0.000 1.122 31 F CA -0.475 57.547 58.000 0.037 0.000 1.120 31 F CB 1.427 40.491 39.000 0.106 0.000 1.142 31 F HN 0.660 nan 8.300 nan 0.000 0.483 32 D N 1.425 121.987 120.400 0.270 0.000 2.478 32 D HA 0.214 4.854 4.640 -0.000 0.000 0.263 32 D C -0.038 176.276 176.300 0.023 0.000 1.153 32 D CA -0.587 53.477 54.000 0.106 0.000 1.038 32 D CB 0.529 41.325 40.800 -0.006 0.000 1.120 32 D HN 0.417 nan 8.370 nan 0.000 0.564 33 N N -0.572 117.956 118.700 -0.287 0.000 2.780 33 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 33 N C -1.187 173.953 175.510 -0.616 0.000 1.102 33 N CA 0.604 53.394 53.050 -0.434 0.000 0.697 33 N CB -1.457 36.959 38.487 -0.118 0.000 1.028 33 N HN 0.537 nan 8.380 nan 0.000 0.554 34 H N -2.000 116.627 119.070 -0.739 0.000 2.980 34 H HA 0.265 4.821 4.556 -0.000 0.000 0.367 34 H C -0.338 174.582 175.328 -0.681 0.000 1.206 34 H CA -0.419 55.367 56.048 -0.436 0.000 1.126 34 H CB 0.692 30.297 29.762 -0.260 0.000 1.838 34 H HN 0.026 nan 8.280 nan 0.000 0.552 35 W N 1.588 122.803 121.300 -0.142 0.000 2.316 35 W HA 0.308 4.968 4.660 -0.000 0.000 0.321 35 W C 0.345 176.711 176.519 -0.254 0.000 1.203 35 W CA 0.168 57.463 57.345 -0.082 0.000 1.214 35 W CB 0.657 30.094 29.460 -0.038 0.000 1.169 35 W HN 0.317 nan 8.180 nan 0.000 0.561 36 H N 2.750 122.012 119.070 0.319 0.000 2.894 36 H HA 0.256 4.812 4.556 -0.000 0.000 0.367 36 H C -2.311 172.996 175.328 -0.035 0.000 1.144 36 H CA -1.812 54.316 56.048 0.134 0.000 1.180 36 H CB 2.124 31.878 29.762 -0.014 0.000 1.758 36 H HN 0.044 nan 8.280 nan 0.000 0.541 37 P HA 0.132 nan 4.420 nan 0.000 0.271 37 P C -0.146 176.755 177.300 -0.664 0.000 1.216 37 P CA -0.014 62.422 63.100 -1.107 0.000 0.776 37 P CB 1.480 31.860 31.700 -2.200 0.000 0.881 38 A N 2.439 125.010 122.820 -0.415 0.000 2.074 38 A HA 0.647 4.967 4.320 -0.000 0.000 0.200 38 A C 0.768 178.377 177.584 0.042 0.000 1.335 38 A CA 1.040 53.027 52.037 -0.084 0.000 0.922 38 A CB 0.003 18.953 19.000 -0.083 0.000 0.972 38 A HN 0.733 nan 8.150 nan 0.000 0.475 39 A N -1.765 120.981 122.820 -0.123 0.000 2.511 39 A HA 0.630 4.950 4.320 -0.000 0.000 0.293 39 A C -1.795 175.592 177.584 -0.328 0.000 1.098 39 A CA -0.624 51.353 52.037 -0.100 0.000 0.643 39 A CB -0.103 18.891 19.000 -0.011 0.000 1.302 39 A HN 0.269 nan 8.150 nan 0.000 0.446 40 F N 0.656 120.603 119.950 -0.005 0.000 2.399 40 F HA 0.370 4.896 4.527 -0.000 0.000 0.334 40 F C 1.392 177.161 175.800 -0.052 0.000 1.097 40 F CA 0.242 58.203 58.000 -0.065 0.000 1.076 40 F CB 1.580 40.541 39.000 -0.064 0.000 1.162 40 F HN 0.863 nan 8.300 nan 0.000 0.495 41 D N 0.778 121.223 120.400 0.075 0.000 2.149 41 D HA -0.231 4.409 4.640 -0.000 0.000 0.194 41 D C 1.784 178.195 176.300 0.184 0.000 1.001 41 D CA 1.890 55.935 54.000 0.074 0.000 0.849 41 D CB -0.122 40.698 40.800 0.034 0.000 0.939 41 D HN 0.683 nan 8.370 nan 0.000 0.449 42 H N -0.576 118.544 119.070 0.084 0.000 2.560 42 H HA 0.010 4.566 4.556 -0.000 0.000 0.283 42 H C 1.241 176.597 175.328 0.046 0.000 1.028 42 H CA 0.437 56.514 56.048 0.049 0.000 1.221 42 H CB 0.225 30.003 29.762 0.026 0.000 1.363 42 H HN 0.378 nan 8.280 nan 0.000 0.594 43 E N 0.512 120.824 120.200 0.186 0.000 2.481 43 E HA 0.065 4.415 4.350 -0.000 0.000 0.195 43 E C -0.258 176.387 176.600 0.076 0.000 1.047 43 E CA 0.137 56.609 56.400 0.121 0.000 0.867 43 E CB 0.523 30.299 29.700 0.126 0.000 0.858 43 E HN 0.348 nan 8.360 nan 0.000 0.513 44 L N 1.053 122.318 121.223 0.069 0.000 2.343 44 L HA 0.465 4.805 4.340 -0.000 0.000 0.278 44 L C -0.427 176.445 176.870 0.005 0.000 0.996 44 L CA -0.708 54.146 54.840 0.023 0.000 0.831 44 L CB 1.667 43.733 42.059 0.012 0.000 1.232 44 L HN -0.080 nan 8.230 nan 0.000 0.413 45 A N 2.138 124.944 122.820 -0.024 0.000 2.281 45 A HA 0.596 4.915 4.320 -0.000 0.000 0.329 45 A C -0.333 177.211 177.584 -0.067 0.000 1.122 45 A CA -0.548 51.468 52.037 -0.035 0.000 0.850 45 A CB 1.035 20.015 19.000 -0.033 0.000 1.207 45 A HN 0.641 nan 8.150 nan 0.000 0.495 46 E N 0.061 120.225 120.200 -0.060 0.000 2.529 46 E HA 0.320 4.670 4.350 -0.000 0.000 0.259 46 E C 1.284 177.813 176.600 -0.118 0.000 0.966 46 E CA 1.811 58.164 56.400 -0.078 0.000 0.937 46 E CB -0.121 29.548 29.700 -0.051 0.000 0.923 46 E HN 1.760 nan 8.360 nan 0.000 0.468 47 G N 3.320 112.009 108.800 -0.185 0.000 2.189 47 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.267 47 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.267 47 G C 0.294 174.953 174.900 -0.401 0.000 0.975 47 G CA 0.628 45.569 45.100 -0.265 0.000 0.644 47 G HN 0.649 nan 8.290 nan 0.000 0.537 48 E N -0.559 119.440 120.200 -0.335 0.000 2.319 48 E HA 0.658 5.008 4.350 -0.000 0.000 0.268 48 E C -0.546 175.792 176.600 -0.436 0.000 1.050 48 E CA -0.872 55.374 56.400 -0.257 0.000 0.878 48 E CB 0.376 30.018 29.700 -0.096 0.000 1.066 48 E HN 0.103 nan 8.360 nan 0.000 0.406 49 F N 1.925 121.888 119.950 0.022 0.000 2.522 49 F HA 0.514 5.041 4.527 -0.000 0.000 0.324 49 F C -0.603 175.218 175.800 0.035 0.000 1.077 49 F CA -0.783 57.237 58.000 0.034 0.000 0.944 49 F CB 2.088 41.113 39.000 0.041 0.000 1.175 49 F HN 0.142 nan 8.300 nan 0.000 0.468 50 V N 2.117 122.173 119.914 0.237 0.000 2.612 50 V HA 0.717 4.837 4.120 -0.000 0.000 0.301 50 V C -0.747 175.428 176.094 0.135 0.000 1.059 50 V CA -1.002 61.384 62.300 0.144 0.000 0.886 50 V CB 1.686 33.563 31.823 0.091 0.000 1.007 50 V HN 0.908 nan 8.190 nan 0.000 0.426 51 A N 4.781 127.662 122.820 0.102 0.000 2.276 51 A HA 0.926 5.246 4.320 -0.000 0.000 0.316 51 A C -0.371 177.240 177.584 0.045 0.000 1.229 51 A CA -0.434 51.650 52.037 0.078 0.000 0.851 51 A CB 1.284 20.323 19.000 0.065 0.000 1.165 51 A HN 1.548 nan 8.150 nan 0.000 0.513 52 V N -0.225 119.705 119.914 0.027 0.000 3.040 52 V HA 0.910 5.030 4.120 -0.000 0.000 0.312 52 V C -0.392 175.694 176.094 -0.013 0.000 1.115 52 V CA -0.540 61.764 62.300 0.007 0.000 0.998 52 V CB 1.775 33.599 31.823 0.001 0.000 1.042 52 V HN 0.694 nan 8.190 nan 0.000 0.433 53 T N 4.233 118.779 114.554 -0.013 0.000 2.847 53 T HA 0.695 5.045 4.350 -0.000 0.000 0.291 53 T C -0.536 174.140 174.700 -0.040 0.000 0.998 53 T CA -0.172 61.913 62.100 -0.026 0.000 0.967 53 T CB 0.955 69.819 68.868 -0.006 0.000 0.954 53 T HN 0.743 nan 8.240 nan 0.000 0.441 54 M N 3.719 123.269 119.600 -0.084 0.000 2.190 54 M HA 0.412 4.892 4.480 -0.000 0.000 0.312 54 M C -0.457 175.757 176.300 -0.142 0.000 0.990 54 M CA -0.845 54.381 55.300 -0.123 0.000 0.927 54 M CB 1.734 34.236 32.600 -0.164 0.000 1.571 54 M HN 0.390 nan 8.290 nan 0.000 0.427 55 L N 3.178 124.298 121.223 -0.171 0.000 3.742 55 L HA -0.263 4.077 4.340 -0.000 0.000 0.431 55 L C 1.061 177.877 176.870 -0.090 0.000 1.220 55 L CA 1.407 56.143 54.840 -0.174 0.000 0.863 55 L CB -2.390 39.535 42.059 -0.224 0.000 1.751 55 L HN 1.213 nan 8.230 nan 0.000 0.922 56 G N -2.234 106.533 108.800 -0.055 0.000 2.205 56 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.261 56 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.261 56 G C 0.261 175.151 174.900 -0.017 0.000 0.980 56 G CA 0.386 45.471 45.100 -0.025 0.000 0.632 56 G HN 0.530 nan 8.290 nan 0.000 0.533 57 E N 0.766 120.949 120.200 -0.029 0.000 2.156 57 E HA 0.416 4.766 4.350 -0.000 0.000 0.279 57 E C -0.118 176.466 176.600 -0.028 0.000 0.965 57 E CA -0.617 55.780 56.400 -0.006 0.000 0.789 57 E CB 1.086 30.803 29.700 0.028 0.000 1.098 57 E HN 0.241 nan 8.360 nan 0.000 0.397 58 K N 2.233 122.632 120.400 -0.003 0.000 2.316 58 K HA 0.258 4.578 4.320 -0.000 0.000 0.289 58 K C -0.672 175.932 176.600 0.006 0.000 1.070 58 K CA -0.250 56.034 56.287 -0.006 0.000 0.928 58 K CB 0.948 33.447 32.500 -0.002 0.000 1.039 58 K HN 0.189 nan 8.250 nan 0.000 0.480 59 V N 4.408 124.304 119.914 -0.030 0.000 2.628 59 V HA 0.327 4.447 4.120 -0.000 0.000 0.306 59 V C -0.761 175.365 176.094 0.054 0.000 1.045 59 V CA -1.091 61.189 62.300 -0.035 0.000 0.905 59 V CB 1.700 33.373 31.823 -0.250 0.000 0.997 59 V HN 0.527 nan 8.190 nan 0.000 0.436 60 L N 5.713 127.020 121.223 0.141 0.000 2.287 60 L HA 0.637 4.977 4.340 -0.000 0.000 0.287 60 L C -0.759 176.228 176.870 0.196 0.000 1.022 60 L CA 0.178 55.138 54.840 0.200 0.000 0.814 60 L CB 1.039 43.273 42.059 0.292 0.000 1.217 60 L HN 0.533 nan 8.230 nan 0.000 0.420 61 L N 4.437 125.769 121.223 0.181 0.000 2.325 61 L HA 0.785 5.125 4.340 -0.000 0.000 0.278 61 L C 0.044 176.993 176.870 0.132 0.000 1.023 61 L CA -0.457 54.462 54.840 0.133 0.000 0.811 61 L CB 1.941 44.045 42.059 0.075 0.000 1.249 61 L HN 0.653 nan 8.230 nan 0.000 0.431 62 T N 1.312 115.886 114.554 0.034 0.000 2.840 62 T HA 0.334 4.684 4.350 -0.000 0.000 0.317 62 T C -1.468 173.163 174.700 -0.115 0.000 1.401 62 T CA -0.703 61.302 62.100 -0.157 0.000 1.028 62 T CB 1.943 70.592 68.868 -0.365 0.000 1.317 62 T HN 0.644 nan 8.240 nan 0.000 0.495 63 R N 1.945 122.345 120.500 -0.167 0.000 2.265 63 R HA 0.763 5.103 4.340 -0.000 0.000 0.328 63 R C -1.038 175.201 176.300 -0.102 0.000 0.969 63 R CA -0.492 55.553 56.100 -0.092 0.000 0.832 63 R CB 0.770 31.028 30.300 -0.069 0.000 1.139 63 R HN 0.659 nan 8.270 nan 0.000 0.457 64 A N 4.044 126.832 122.820 -0.054 0.000 2.318 64 A HA 0.328 4.648 4.320 -0.000 0.000 0.317 64 A C -0.338 177.237 177.584 -0.015 0.000 1.159 64 A CA -0.679 51.335 52.037 -0.038 0.000 0.799 64 A CB 0.683 19.675 19.000 -0.014 0.000 1.194 64 A HN 0.947 nan 8.150 nan 0.000 0.479 65 K N 1.585 121.976 120.400 -0.015 0.000 3.035 65 K HA -0.258 4.062 4.320 -0.000 0.000 0.262 65 K C 1.076 177.675 176.600 -0.003 0.000 1.024 65 K CA 1.048 57.332 56.287 -0.005 0.000 0.748 65 K CB -1.773 30.729 32.500 0.004 0.000 1.247 65 K HN 2.287 nan 8.250 nan 0.000 0.482 66 G N -0.517 108.278 108.800 -0.009 0.000 2.253 66 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.251 66 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.251 66 G C -0.139 174.763 174.900 0.005 0.000 0.998 66 G CA 0.607 45.706 45.100 -0.002 0.000 0.621 66 G HN 0.471 nan 8.290 nan 0.000 0.524 67 E N 0.193 120.397 120.200 0.006 0.000 2.191 67 E HA 0.531 4.881 4.350 -0.000 0.000 0.278 67 E C -0.010 176.600 176.600 0.016 0.000 0.972 67 E CA -0.820 55.590 56.400 0.017 0.000 0.804 67 E CB 2.505 32.220 29.700 0.024 0.000 1.110 67 E HN 0.096 nan 8.360 nan 0.000 0.394 68 V N 4.558 124.488 119.914 0.027 0.000 2.508 68 V HA 0.078 4.198 4.120 -0.000 0.000 0.281 68 V C 0.139 176.266 176.094 0.056 0.000 1.041 68 V CA 0.018 62.337 62.300 0.031 0.000 1.016 68 V CB 0.314 32.159 31.823 0.037 0.000 0.984 68 V HN 0.520 nan 8.190 nan 0.000 0.478 69 K N 3.621 124.055 120.400 0.057 0.000 2.267 69 K HA 0.863 5.183 4.320 -0.000 0.000 0.246 69 K C -0.536 176.135 176.600 0.117 0.000 0.954 69 K CA -0.589 55.752 56.287 0.089 0.000 0.824 69 K CB 2.430 34.978 32.500 0.079 0.000 1.167 69 K HN 0.673 nan 8.250 nan 0.000 0.431 70 A N 2.747 125.664 122.820 0.162 0.000 2.359 70 A HA 0.740 5.060 4.320 -0.000 0.000 0.303 70 A C -1.043 176.726 177.584 0.309 0.000 1.066 70 A CA -0.735 51.422 52.037 0.200 0.000 0.730 70 A CB 0.738 19.840 19.000 0.169 0.000 1.211 70 A HN 0.759 nan 8.150 nan 0.000 0.439 71 I N 1.584 122.334 120.570 0.301 0.000 2.865 71 I HA 0.695 4.865 4.170 -0.000 0.000 0.302 71 I C 0.423 176.768 176.117 0.380 0.000 1.140 71 I CA -1.022 60.466 61.300 0.313 0.000 1.021 71 I CB 2.012 40.122 38.000 0.184 0.000 1.233 71 I HN 0.838 nan 8.210 nan 0.000 0.427 72 A N 3.796 126.842 122.820 0.376 0.000 2.566 72 A HA -0.004 4.316 4.320 -0.000 0.000 0.245 72 A C 0.032 177.757 177.584 0.235 0.000 1.056 72 A CA 0.240 52.469 52.037 0.321 0.000 0.757 72 A CB -0.179 18.923 19.000 0.170 0.000 0.979 72 A HN 0.692 nan 8.150 nan 0.000 0.508 73 D N 2.169 122.658 120.400 0.149 0.000 2.801 73 D HA 0.409 5.049 4.640 -0.000 0.000 0.232 73 D C 0.280 176.454 176.300 -0.210 0.000 1.128 73 D CA 1.049 55.088 54.000 0.067 0.000 1.003 73 D CB -0.556 40.288 40.800 0.073 0.000 1.110 73 D HN 0.723 nan 8.370 nan 0.000 0.477 74 G N 0.632 109.172 108.800 -0.433 0.000 2.635 74 G HA2 0.245 4.205 3.960 -0.000 0.000 0.295 74 G HA3 0.245 4.205 3.960 -0.000 0.000 0.295 74 G C -0.859 173.684 174.900 -0.594 0.000 1.359 74 G CA -0.669 44.133 45.100 -0.498 0.000 1.232 74 G HN 0.305 nan 8.290 nan 0.000 0.597 75 C N 2.440 121.329 119.300 -0.685 0.000 2.644 75 C HA 0.566 5.026 4.460 -0.000 0.000 0.417 75 C C 2.051 177.000 174.990 -0.070 0.000 1.304 75 C CA 0.482 59.333 59.018 -0.279 0.000 2.035 75 C CB 0.206 27.833 27.740 -0.189 0.000 2.673 75 C HN 1.091 nan 8.230 nan 0.000 0.602 76 A N 3.034 125.954 122.820 0.168 0.000 2.119 76 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 76 A C 2.019 179.636 177.584 0.054 0.000 1.153 76 A CA 1.553 53.704 52.037 0.190 0.000 0.692 76 A CB -0.832 18.431 19.000 0.437 0.000 0.799 76 A HN 1.068 nan 8.150 nan 0.000 0.458 77 H N -0.363 118.458 119.070 -0.414 0.000 2.290 77 H HA 0.110 4.666 4.556 -0.000 0.000 0.306 77 H C 1.007 176.098 175.328 -0.395 0.000 1.049 77 H CA 1.034 56.595 56.048 -0.811 0.000 1.288 77 H CB 0.102 28.910 29.762 -1.591 0.000 1.406 77 H HN 0.330 nan 8.280 nan 0.000 0.515 78 R N -0.319 119.884 120.500 -0.495 0.000 2.652 78 R HA 0.149 4.489 4.340 -0.000 0.000 0.372 78 R C 0.598 176.779 176.300 -0.198 0.000 1.104 78 R CA 0.387 56.259 56.100 -0.379 0.000 1.072 78 R CB 1.218 31.273 30.300 -0.407 0.000 1.367 78 R HN 0.687 nan 8.270 nan 0.000 0.577 79 G N 1.591 110.282 108.800 -0.182 0.000 2.212 79 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.267 79 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.267 79 G C 0.467 175.266 174.900 -0.169 0.000 1.002 79 G CA 0.702 45.709 45.100 -0.155 0.000 0.729 79 G HN 0.318 nan 8.290 nan 0.000 0.517 80 V N -2.033 117.764 119.914 -0.196 0.000 2.881 80 V HA 0.727 4.847 4.120 -0.000 0.000 0.303 80 V C -1.402 174.553 176.094 -0.232 0.000 1.070 80 V CA -1.794 60.426 62.300 -0.132 0.000 1.074 80 V CB 1.398 33.164 31.823 -0.094 0.000 1.012 80 V HN 0.194 nan 8.190 nan 0.000 0.482 81 P HA 0.315 nan 4.420 nan 0.000 0.286 81 P C 0.049 177.384 177.300 0.058 0.000 1.269 81 P CA -0.317 62.695 63.100 -0.146 0.000 0.787 81 P CB 1.081 32.761 31.700 -0.033 0.000 0.920 82 F N 1.152 121.199 119.950 0.163 0.000 2.216 82 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 82 F C 2.591 178.464 175.800 0.121 0.000 1.085 82 F CA 1.868 59.984 58.000 0.194 0.000 1.326 82 F CB -1.750 37.270 39.000 0.033 0.000 1.027 82 F HN 0.301 nan 8.300 nan 0.000 0.497 83 S N -0.372 115.442 115.700 0.191 0.000 2.465 83 S HA -0.186 4.284 4.470 -0.000 0.000 0.241 83 S C 1.943 176.532 174.600 -0.020 0.000 1.000 83 S CA 0.735 58.968 58.200 0.055 0.000 0.964 83 S CB -0.395 62.838 63.200 0.054 0.000 0.763 83 S HN 0.241 nan 8.310 nan 0.000 0.512 84 K N 1.265 121.644 120.400 -0.035 0.000 2.147 84 K HA 0.057 4.377 4.320 -0.000 0.000 0.205 84 K C 0.948 177.321 176.600 -0.378 0.000 1.049 84 K CA 1.170 57.300 56.287 -0.260 0.000 0.936 84 K CB -0.148 32.075 32.500 -0.461 0.000 0.722 84 K HN 0.768 nan 8.250 nan 0.000 0.446 85 E N 0.121 120.139 120.200 -0.304 0.000 2.762 85 E HA 0.110 4.460 4.350 -0.000 0.000 0.384 85 E C -2.780 173.818 176.600 -0.003 0.000 1.086 85 E CA -1.108 55.166 56.400 -0.211 0.000 0.769 85 E CB 1.016 30.497 29.700 -0.365 0.000 1.560 85 E HN -0.140 nan 8.360 nan 0.000 0.384 86 P HA 0.096 nan 4.420 nan 0.000 0.267 86 P C -0.556 176.518 177.300 -0.376 0.000 1.205 86 P CA 0.126 62.944 63.100 -0.469 0.000 0.765 86 P CB 0.931 31.892 31.700 -1.231 0.000 0.828 87 L N 3.226 124.296 121.223 -0.254 0.000 2.388 87 L HA 0.611 4.950 4.340 -0.000 0.000 0.264 87 L C -0.250 176.555 176.870 -0.108 0.000 0.998 87 L CA -0.837 53.903 54.840 -0.166 0.000 0.817 87 L CB 2.445 44.461 42.059 -0.072 0.000 1.338 87 L HN 0.453 nan 8.230 nan 0.000 0.414 88 C N 1.928 121.108 119.300 -0.200 0.000 2.505 88 C HA 0.513 4.973 4.460 -0.000 0.000 0.342 88 C C 0.086 174.907 174.990 -0.281 0.000 1.121 88 C CA -0.417 58.564 59.018 -0.063 0.000 1.306 88 C CB 0.301 28.128 27.740 0.146 0.000 1.897 88 C HN 0.794 nan 8.230 nan 0.000 0.446 89 F N 3.231 123.239 119.950 0.098 0.000 2.653 89 F HA 0.429 4.956 4.527 -0.000 0.000 0.304 89 F C 0.900 176.733 175.800 0.055 0.000 1.092 89 F CA 0.047 58.090 58.000 0.072 0.000 1.279 89 F CB 0.169 39.206 39.000 0.061 0.000 1.044 89 F HN 0.596 nan 8.300 nan 0.000 0.564 90 K N 0.570 121.072 120.400 0.170 0.000 2.578 90 K HA 0.544 4.864 4.320 -0.000 0.000 0.263 90 K C -0.994 175.653 176.600 0.078 0.000 0.973 90 K CA -0.525 55.831 56.287 0.114 0.000 0.909 90 K CB 0.975 33.543 32.500 0.114 0.000 1.326 90 K HN -0.078 nan 8.250 nan 0.000 0.440 91 A N 2.157 125.007 122.820 0.049 0.000 2.567 91 A HA 0.413 4.733 4.320 -0.000 0.000 0.240 91 A C 1.275 178.882 177.584 0.038 0.000 1.053 91 A CA 1.581 53.635 52.037 0.029 0.000 0.755 91 A CB -0.597 18.410 19.000 0.013 0.000 0.978 91 A HN 1.575 nan 8.150 nan 0.000 0.507 92 G N 1.227 110.050 108.800 0.038 0.000 2.179 92 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.220 92 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.220 92 G C 0.437 175.377 174.900 0.067 0.000 0.990 92 G CA 0.808 45.936 45.100 0.047 0.000 0.646 92 G HN 2.477 nan 8.290 nan 0.000 0.517 93 T N -3.156 111.448 114.554 0.083 0.000 2.838 93 T HA 0.820 5.170 4.350 -0.000 0.000 0.292 93 T C -0.953 173.819 174.700 0.120 0.000 1.113 93 T CA -0.244 61.919 62.100 0.104 0.000 1.008 93 T CB 2.794 71.727 68.868 0.108 0.000 1.259 93 T HN 1.624 nan 8.240 nan 0.000 0.520 94 V N 0.475 120.451 119.914 0.104 0.000 2.808 94 V HA 0.720 4.840 4.120 -0.000 0.000 0.308 94 V C -1.263 174.857 176.094 0.042 0.000 1.099 94 V CA -0.371 61.950 62.300 0.035 0.000 0.920 94 V CB 2.304 34.042 31.823 -0.140 0.000 1.014 94 V HN 1.193 nan 8.190 nan 0.000 0.425 95 S N 4.829 120.580 115.700 0.085 0.000 2.473 95 S HA 0.430 4.900 4.470 -0.000 0.000 0.307 95 S C -0.392 174.336 174.600 0.214 0.000 1.094 95 S CA -0.370 57.960 58.200 0.216 0.000 1.070 95 S CB 1.339 64.788 63.200 0.416 0.000 1.019 95 S HN 1.083 nan 8.310 nan 0.000 0.480 96 C N 5.885 125.383 119.300 0.330 0.000 2.662 96 C HA 0.203 4.663 4.460 -0.000 0.000 0.420 96 C C 1.975 177.106 174.990 0.236 0.000 1.314 96 C CA -0.560 58.679 59.018 0.369 0.000 1.963 96 C CB -0.688 27.290 27.740 0.396 0.000 2.686 96 C HN 1.057 nan 8.230 nan 0.000 0.609 97 W N 4.551 126.026 121.300 0.292 0.000 2.595 97 W HA -0.039 4.621 4.660 -0.000 0.000 0.257 97 W C 1.317 177.968 176.519 0.220 0.000 1.267 97 W CA 0.294 57.762 57.345 0.204 0.000 1.300 97 W CB -1.112 28.414 29.460 0.110 0.000 1.120 97 W HN 0.816 nan 8.180 nan 0.000 0.618 98 Y N 1.994 121.969 120.300 -0.542 0.000 2.177 98 Y HA -0.033 4.517 4.550 -0.000 0.000 0.291 98 Y C 1.405 177.013 175.900 -0.488 0.000 1.117 98 Y CA 1.521 59.252 58.100 -0.616 0.000 1.114 98 Y CB -0.852 36.937 38.460 -1.119 0.000 1.017 98 Y HN -0.024 nan 8.280 nan 0.000 0.505 99 H N -1.456 117.590 119.070 -0.039 0.000 2.662 99 H HA 0.375 4.931 4.556 -0.000 0.000 0.268 99 H C 1.351 176.767 175.328 0.147 0.000 1.152 99 H CA 0.248 56.288 56.048 -0.013 0.000 1.072 99 H CB 0.429 30.118 29.762 -0.120 0.000 1.660 99 H HN 0.369 nan 8.280 nan 0.000 0.584 100 G N 0.178 109.130 108.800 0.253 0.000 2.155 100 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 100 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 100 G C -0.278 174.810 174.900 0.312 0.000 0.983 100 G CA -0.122 45.133 45.100 0.258 0.000 0.676 100 G HN 0.253 nan 8.290 nan 0.000 0.528 101 W N 1.167 122.493 121.300 0.044 0.000 2.347 101 W HA 0.494 5.154 4.660 -0.000 0.000 0.333 101 W C 0.793 177.243 176.519 -0.115 0.000 1.383 101 W CA 0.504 57.792 57.345 -0.094 0.000 1.283 101 W CB 0.240 29.658 29.460 -0.069 0.000 1.253 101 W HN 0.062 nan 8.180 nan 0.000 0.563 102 T N 4.885 119.377 114.554 -0.104 0.000 2.807 102 T HA 0.463 4.813 4.350 -0.000 0.000 0.279 102 T C -1.080 173.475 174.700 -0.242 0.000 0.993 102 T CA -0.446 61.621 62.100 -0.055 0.000 0.970 102 T CB 0.688 69.565 68.868 0.015 0.000 0.950 102 T HN 0.016 nan 8.240 nan 0.000 0.441 103 Y N 0.798 121.121 120.300 0.038 0.000 2.509 103 Y HA 0.429 4.979 4.550 -0.000 0.000 0.341 103 Y C 0.421 176.334 175.900 0.021 0.000 1.038 103 Y CA -1.419 56.701 58.100 0.034 0.000 1.089 103 Y CB 1.000 39.486 38.460 0.044 0.000 1.241 103 Y HN 0.487 nan 8.280 nan 0.000 0.468 104 D N 2.147 122.657 120.400 0.184 0.000 2.295 104 D HA 0.127 4.767 4.640 -0.000 0.000 0.248 104 D C 0.651 177.024 176.300 0.121 0.000 1.154 104 D CA 0.173 54.242 54.000 0.115 0.000 0.857 104 D CB 1.208 42.054 40.800 0.077 0.000 1.117 104 D HN 0.679 nan 8.370 nan 0.000 0.468 105 L N 2.926 124.208 121.223 0.099 0.000 2.201 105 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 105 L C 1.532 178.450 176.870 0.080 0.000 1.105 105 L CA 0.692 55.587 54.840 0.092 0.000 0.775 105 L CB -0.021 42.088 42.059 0.084 0.000 0.913 105 L HN 0.389 nan 8.230 nan 0.000 0.440 106 D N 0.093 120.533 120.400 0.066 0.000 2.234 106 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 106 D C 1.010 177.338 176.300 0.046 0.000 0.962 106 D CA 1.323 55.355 54.000 0.053 0.000 0.855 106 D CB 0.104 40.929 40.800 0.042 0.000 0.951 106 D HN 0.581 nan 8.370 nan 0.000 0.500 107 D N -2.443 117.988 120.400 0.052 0.000 2.525 107 D HA 0.177 4.817 4.640 -0.000 0.000 0.231 107 D C 1.449 177.785 176.300 0.060 0.000 1.216 107 D CA 0.457 54.482 54.000 0.043 0.000 0.813 107 D CB 0.057 40.877 40.800 0.034 0.000 1.108 107 D HN 0.054 nan 8.370 nan 0.000 0.524 108 G N 0.682 109.538 108.800 0.093 0.000 2.168 108 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.263 108 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.263 108 G C 0.223 175.263 174.900 0.233 0.000 0.977 108 G CA 0.027 45.208 45.100 0.135 0.000 0.659 108 G HN 0.336 nan 8.290 nan 0.000 0.533 109 R N -0.514 120.091 120.500 0.175 0.000 2.539 109 R HA 0.374 4.714 4.340 -0.000 0.000 0.275 109 R C 0.324 176.704 176.300 0.134 0.000 1.077 109 R CA -0.808 55.381 56.100 0.149 0.000 1.097 109 R CB 0.991 31.327 30.300 0.060 0.000 1.018 109 R HN 0.300 nan 8.270 nan 0.000 0.483 110 L N 4.341 125.577 121.223 0.022 0.000 2.407 110 L HA 0.018 4.358 4.340 -0.000 0.000 0.282 110 L C 0.941 177.681 176.870 -0.217 0.000 1.110 110 L CA 0.310 54.988 54.840 -0.270 0.000 0.863 110 L CB 0.845 42.685 42.059 -0.366 0.000 1.207 110 L HN 0.550 nan 8.230 nan 0.000 0.454 111 V N 0.453 120.252 119.914 -0.191 0.000 3.660 111 V HA 0.481 4.601 4.120 -0.000 0.000 0.276 111 V C 0.338 176.334 176.094 -0.164 0.000 1.317 111 V CA 0.285 62.504 62.300 -0.135 0.000 1.097 111 V CB -0.107 31.678 31.823 -0.064 0.000 0.863 111 V HN 0.795 nan 8.190 nan 0.000 0.438 112 D N -1.348 118.913 120.400 -0.230 0.000 2.742 112 D HA 0.442 5.082 4.640 -0.000 0.000 0.262 112 D C -1.799 174.333 176.300 -0.280 0.000 1.240 112 D CA -0.132 53.737 54.000 -0.217 0.000 0.752 112 D CB 2.638 43.361 40.800 -0.128 0.000 1.290 112 D HN -0.079 nan 8.370 nan 0.000 0.420 113 V N 3.010 122.775 119.914 -0.248 0.000 2.462 113 V HA 0.211 4.331 4.120 -0.000 0.000 0.288 113 V C 1.490 177.523 176.094 -0.101 0.000 1.020 113 V CA -0.508 61.661 62.300 -0.218 0.000 0.857 113 V CB 1.408 33.010 31.823 -0.367 0.000 1.013 113 V HN 0.555 nan 8.190 nan 0.000 0.431 114 L N 2.614 123.811 121.223 -0.042 0.000 2.187 114 L HA -0.134 4.206 4.340 -0.000 0.000 0.213 114 L C 2.422 179.269 176.870 -0.039 0.000 1.100 114 L CA 2.096 56.898 54.840 -0.063 0.000 0.765 114 L CB -0.488 41.517 42.059 -0.090 0.000 0.904 114 L HN 0.890 nan 8.230 nan 0.000 0.437 115 T N -5.824 108.737 114.554 0.012 0.000 3.100 115 T HA 0.034 4.384 4.350 -0.000 0.000 0.253 115 T C 0.914 175.613 174.700 -0.003 0.000 1.118 115 T CA 0.335 62.449 62.100 0.023 0.000 1.058 115 T CB 0.312 69.230 68.868 0.083 0.000 0.953 115 T HN 0.116 nan 8.240 nan 0.000 0.515 116 S N 2.807 118.484 115.700 -0.039 0.000 2.680 116 S HA 0.351 4.821 4.470 -0.000 0.000 0.140 116 S C -3.025 171.517 174.600 -0.097 0.000 1.357 116 S CA -1.137 57.025 58.200 -0.062 0.000 1.201 116 S CB 0.668 63.829 63.200 -0.065 0.000 1.547 116 S HN 0.161 nan 8.310 nan 0.000 0.411 117 P HA 0.228 nan 4.420 nan 0.000 0.265 117 P C 1.027 178.271 177.300 -0.093 0.000 1.187 117 P CA 1.406 64.451 63.100 -0.092 0.000 0.766 117 P CB 0.403 32.060 31.700 -0.072 0.000 0.820 118 G N 1.433 110.169 108.800 -0.106 0.000 2.162 118 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 118 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 118 G C 0.457 175.289 174.900 -0.115 0.000 0.976 118 G CA 0.338 45.379 45.100 -0.098 0.000 0.655 118 G HN 0.828 nan 8.290 nan 0.000 0.533 119 S N 1.275 116.886 115.700 -0.148 0.000 2.558 119 S HA 0.339 4.809 4.470 -0.000 0.000 0.293 119 S C 0.289 174.785 174.600 -0.174 0.000 1.292 119 S CA -0.036 58.063 58.200 -0.168 0.000 1.063 119 S CB 0.964 64.021 63.200 -0.238 0.000 0.831 119 S HN 0.271 nan 8.310 nan 0.000 0.499 120 P HA -0.063 nan 4.420 nan 0.000 0.228 120 P C 1.293 178.504 177.300 -0.149 0.000 1.151 120 P CA 0.897 63.925 63.100 -0.120 0.000 0.770 120 P CB -0.359 31.291 31.700 -0.083 0.000 0.786 121 V N -3.541 116.243 119.914 -0.218 0.000 3.041 121 V HA 0.043 4.163 4.120 -0.000 0.000 0.260 121 V C 1.379 177.288 176.094 -0.308 0.000 1.105 121 V CA 0.101 62.244 62.300 -0.262 0.000 1.125 121 V CB -1.283 30.309 31.823 -0.387 0.000 0.730 121 V HN -0.129 nan 8.190 nan 0.000 0.479 122 I N 2.621 123.004 120.570 -0.312 0.000 2.668 122 I HA 0.377 4.547 4.170 -0.000 0.000 0.285 122 I C 1.609 177.618 176.117 -0.181 0.000 1.168 122 I CA 1.429 62.560 61.300 -0.282 0.000 1.424 122 I CB 0.168 38.022 38.000 -0.243 0.000 1.377 122 I HN 0.491 nan 8.210 nan 0.000 0.560 123 G N 5.113 113.820 108.800 -0.155 0.000 2.205 123 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.261 123 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.261 123 G C 0.859 175.718 174.900 -0.068 0.000 0.980 123 G CA 0.129 45.173 45.100 -0.092 0.000 0.632 123 G HN 0.664 nan 8.290 nan 0.000 0.533 124 K N -0.414 119.937 120.400 -0.083 0.000 2.358 124 K HA 0.519 4.839 4.320 -0.000 0.000 0.200 124 K C 0.457 177.046 176.600 -0.018 0.000 1.030 124 K CA 0.122 56.380 56.287 -0.047 0.000 1.097 124 K CB 0.787 33.255 32.500 -0.054 0.000 0.862 124 K HN 0.439 nan 8.250 nan 0.000 0.534 125 I N -0.184 120.375 120.570 -0.018 0.000 2.865 125 I HA 0.458 4.628 4.170 -0.000 0.000 0.302 125 I C -0.354 175.838 176.117 0.124 0.000 1.140 125 I CA -1.104 60.235 61.300 0.066 0.000 1.021 125 I CB 2.480 40.534 38.000 0.090 0.000 1.233 125 I HN -0.035 nan 8.210 nan 0.000 0.427 126 G N 4.314 113.232 108.800 0.196 0.000 2.673 126 G HA2 0.699 4.659 3.960 -0.000 0.000 0.292 126 G HA3 0.699 4.659 3.960 -0.000 0.000 0.292 126 G C -1.459 173.568 174.900 0.213 0.000 1.450 126 G CA -0.589 44.654 45.100 0.238 0.000 0.837 126 G HN 0.692 nan 8.290 nan 0.000 0.505 127 I N -2.162 118.515 120.570 0.179 0.000 3.170 127 I HA 0.834 5.004 4.170 -0.000 0.000 0.312 127 I C -0.237 175.884 176.117 0.006 0.000 1.085 127 I CA -1.520 59.819 61.300 0.066 0.000 0.999 127 I CB 2.152 40.143 38.000 -0.015 0.000 1.233 127 I HN 0.422 nan 8.210 nan 0.000 0.467 128 K N 2.445 122.812 120.400 -0.056 0.000 2.350 128 K HA 0.457 4.777 4.320 -0.000 0.000 0.279 128 K C -0.862 175.603 176.600 -0.225 0.000 1.027 128 K CA -0.234 55.939 56.287 -0.190 0.000 0.969 128 K CB 0.785 33.097 32.500 -0.315 0.000 0.954 128 K HN 0.618 nan 8.250 nan 0.000 0.474 129 V N 1.718 121.478 119.914 -0.256 0.000 2.769 129 V HA 0.610 4.730 4.120 -0.000 0.000 0.312 129 V C -1.209 174.739 176.094 -0.243 0.000 1.061 129 V CA -0.994 61.238 62.300 -0.114 0.000 0.931 129 V CB 1.040 32.868 31.823 0.008 0.000 1.010 129 V HN 0.655 nan 8.190 nan 0.000 0.433 130 Y N 1.925 122.253 120.300 0.045 0.000 2.446 130 Y HA 0.737 5.287 4.550 -0.000 0.000 0.338 130 Y C -2.417 173.514 175.900 0.052 0.000 1.055 130 Y CA -2.887 55.235 58.100 0.036 0.000 1.101 130 Y CB 1.488 39.967 38.460 0.032 0.000 1.221 130 Y HN 0.461 nan 8.280 nan 0.000 0.460 131 P HA 0.208 nan 4.420 nan 0.000 0.271 131 P C -1.076 176.415 177.300 0.319 0.000 1.216 131 P CA -0.092 63.102 63.100 0.157 0.000 0.776 131 P CB 0.841 32.526 31.700 -0.025 0.000 0.881 132 V N 3.501 123.641 119.914 0.375 0.000 2.735 132 V HA 0.507 4.627 4.120 -0.000 0.000 0.310 132 V C -0.363 175.930 176.094 0.331 0.000 1.061 132 V CA -0.407 62.138 62.300 0.407 0.000 0.913 132 V CB 1.911 33.868 31.823 0.224 0.000 1.005 132 V HN 0.485 nan 8.190 nan 0.000 0.428 133 Q N 2.451 122.385 119.800 0.222 0.000 2.263 133 Q HA 0.582 4.922 4.340 -0.000 0.000 0.262 133 Q C -2.020 173.996 176.000 0.028 0.000 0.984 133 Q CA -0.392 55.385 55.803 -0.043 0.000 0.813 133 Q CB 2.411 30.859 28.738 -0.483 0.000 1.299 133 Q HN 0.576 nan 8.270 nan 0.000 0.428 134 V N 2.477 122.407 119.914 0.028 0.000 2.407 134 V HA 0.840 4.960 4.120 -0.000 0.000 0.278 134 V C -0.321 175.803 176.094 0.050 0.000 1.037 134 V CA -0.159 62.172 62.300 0.052 0.000 0.900 134 V CB 1.052 32.891 31.823 0.026 0.000 0.983 134 V HN 0.789 nan 8.190 nan 0.000 0.459 135 A N 4.015 126.919 122.820 0.139 0.000 2.455 135 A HA 0.686 5.006 4.320 -0.000 0.000 0.300 135 A C -0.073 177.608 177.584 0.160 0.000 1.040 135 A CA -0.472 51.636 52.037 0.119 0.000 0.697 135 A CB 1.624 20.669 19.000 0.076 0.000 1.265 135 A HN 0.726 nan 8.150 nan 0.000 0.407 136 Q N 0.568 120.382 119.800 0.023 0.000 2.457 136 Q HA -0.259 4.081 4.340 -0.000 0.000 0.283 136 Q C 1.081 177.019 176.000 -0.104 0.000 1.234 136 Q CA 2.058 57.804 55.803 -0.096 0.000 0.877 136 Q CB -2.082 26.526 28.738 -0.215 0.000 1.250 136 Q HN 2.605 nan 8.270 nan 0.000 0.481 137 G N -2.297 106.454 108.800 -0.081 0.000 2.189 137 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.267 137 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.267 137 G C 0.215 175.089 174.900 -0.044 0.000 0.975 137 G CA 0.306 45.337 45.100 -0.113 0.000 0.644 137 G HN 0.406 nan 8.290 nan 0.000 0.537 138 V N 0.723 120.592 119.914 -0.075 0.000 2.483 138 V HA 0.588 4.708 4.120 -0.000 0.000 0.295 138 V C 0.646 176.494 176.094 -0.411 0.000 1.035 138 V CA -0.855 61.229 62.300 -0.361 0.000 0.896 138 V CB 2.021 33.475 31.823 -0.616 0.000 0.986 138 V HN 0.200 nan 8.190 nan 0.000 0.447 139 V N 5.514 125.144 119.914 -0.473 0.000 2.368 139 V HA 0.375 4.495 4.120 -0.000 0.000 0.266 139 V C -0.368 175.463 176.094 -0.438 0.000 1.045 139 V CA -0.073 62.056 62.300 -0.286 0.000 0.899 139 V CB 0.273 32.005 31.823 -0.152 0.000 1.006 139 V HN 0.604 nan 8.190 nan 0.000 0.470 140 F N 3.763 123.652 119.950 -0.102 0.000 2.422 140 F HA 0.681 5.208 4.527 -0.000 0.000 0.333 140 F C 0.160 176.134 175.800 0.290 0.000 1.095 140 F CA -0.675 57.325 58.000 -0.000 0.000 1.038 140 F CB 1.914 40.865 39.000 -0.081 0.000 1.156 140 F HN 0.157 nan 8.300 nan 0.000 0.483 141 V N 3.217 123.423 119.914 0.487 0.000 2.656 141 V HA 0.284 4.404 4.120 -0.000 0.000 0.307 141 V C -1.001 175.204 176.094 0.184 0.000 1.051 141 V CA -1.010 61.497 62.300 0.344 0.000 0.893 141 V CB 2.009 33.869 31.823 0.061 0.000 0.999 141 V HN 0.532 nan 8.190 nan 0.000 0.426 142 F N 5.781 125.501 119.950 -0.384 0.000 2.413 142 F HA 0.536 5.063 4.527 -0.000 0.000 0.359 142 F C -0.070 175.583 175.800 -0.245 0.000 1.122 142 F CA -0.593 56.936 58.000 -0.784 0.000 1.160 142 F CB 0.438 38.559 39.000 -1.464 0.000 1.146 142 F HN 0.233 nan 8.300 nan 0.000 0.514 143 I N 5.841 126.069 120.570 -0.572 0.000 2.315 143 I HA 0.645 4.815 4.170 -0.000 0.000 0.291 143 I C 0.446 176.303 176.117 -0.434 0.000 1.006 143 I CA -0.262 60.880 61.300 -0.263 0.000 1.265 143 I CB 0.393 38.319 38.000 -0.123 0.000 1.387 143 I HN 0.732 nan 8.210 nan 0.000 0.475 144 G N 5.689 114.385 108.800 -0.175 0.000 2.353 144 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.308 144 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.308 144 G C -0.373 174.521 174.900 -0.011 0.000 1.418 144 G CA -0.634 44.387 45.100 -0.131 0.000 0.966 144 G HN 0.452 nan 8.290 nan 0.000 0.638 145 D N 0.092 120.496 120.400 0.008 0.000 2.348 145 D HA 0.067 4.707 4.640 -0.000 0.000 0.211 145 D C 0.946 177.269 176.300 0.039 0.000 0.998 145 D CA 0.782 54.791 54.000 0.015 0.000 0.873 145 D CB 0.660 41.464 40.800 0.006 0.000 0.925 145 D HN 0.543 nan 8.370 nan 0.000 0.524 146 E N 1.139 121.394 120.200 0.093 0.000 2.312 146 E HA 0.132 4.482 4.350 -0.000 0.000 0.259 146 E C 0.286 176.917 176.600 0.051 0.000 1.122 146 E CA -0.576 55.874 56.400 0.084 0.000 0.922 146 E CB 1.195 30.959 29.700 0.107 0.000 1.109 146 E HN -0.020 nan 8.360 nan 0.000 0.442 147 E N 2.451 122.603 120.200 -0.080 0.000 2.383 147 E HA 0.104 4.454 4.350 -0.000 0.000 0.264 147 E C -2.034 174.216 176.600 -0.584 0.000 1.050 147 E CA -1.559 54.702 56.400 -0.232 0.000 0.896 147 E CB 0.094 29.700 29.700 -0.157 0.000 0.982 147 E HN 0.288 nan 8.360 nan 0.000 0.424 148 P HA 0.040 nan 4.420 nan 0.000 0.271 148 P C -0.270 176.538 177.300 -0.821 0.000 1.218 148 P CA 0.161 62.145 63.100 -1.860 0.000 0.780 148 P CB 0.703 31.503 31.700 -1.500 0.000 0.901 149 H N 0.619 119.390 119.070 -0.498 0.000 2.760 149 H HA 0.621 5.177 4.556 -0.000 0.000 0.301 149 H C -0.147 175.221 175.328 0.066 0.000 1.498 149 H CA -1.199 54.758 56.048 -0.152 0.000 1.525 149 H CB 0.147 29.815 29.762 -0.157 0.000 1.771 149 H HN 0.486 nan 8.280 nan 0.000 0.827 150 A N 1.066 124.018 122.820 0.220 0.000 2.477 150 A HA 0.078 4.398 4.320 -0.000 0.000 0.246 150 A C 1.352 178.973 177.584 0.062 0.000 1.078 150 A CA -0.407 51.681 52.037 0.085 0.000 0.770 150 A CB -0.082 18.925 19.000 0.012 0.000 1.011 150 A HN 0.668 nan 8.150 nan 0.000 0.494 151 L N 3.722 124.751 121.223 -0.323 0.000 2.079 151 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 151 L C 2.648 179.277 176.870 -0.402 0.000 1.081 151 L CA 3.046 57.445 54.840 -0.735 0.000 0.752 151 L CB -0.716 40.691 42.059 -1.087 0.000 0.896 151 L HN 0.881 nan 8.230 nan 0.000 0.433 152 S N -1.167 114.371 115.700 -0.270 0.000 2.419 152 S HA -0.226 4.244 4.470 -0.000 0.000 0.235 152 S C 1.630 176.165 174.600 -0.108 0.000 1.019 152 S CA 1.329 59.413 58.200 -0.194 0.000 0.982 152 S CB -0.841 62.281 63.200 -0.130 0.000 0.789 152 S HN 0.713 nan 8.310 nan 0.000 0.490 153 E N 1.030 121.206 120.200 -0.040 0.000 2.347 153 E HA -0.040 4.310 4.350 -0.000 0.000 0.196 153 E C 0.320 176.941 176.600 0.035 0.000 1.008 153 E CA 0.797 57.200 56.400 0.005 0.000 0.852 153 E CB -0.123 29.438 29.700 -0.232 0.000 0.783 153 E HN 0.596 nan 8.360 nan 0.000 0.505 154 D N 0.416 120.831 120.400 0.024 0.000 2.501 154 D HA 0.217 4.857 4.640 -0.000 0.000 0.226 154 D C -0.159 176.097 176.300 -0.074 0.000 1.198 154 D CA 0.183 54.223 54.000 0.065 0.000 0.830 154 D CB 0.607 41.520 40.800 0.188 0.000 1.014 154 D HN 0.055 nan 8.370 nan 0.000 0.496 155 L N 0.317 121.439 121.223 -0.169 0.000 2.393 155 L HA 0.432 4.772 4.340 -0.000 0.000 0.260 155 L C -2.543 174.107 176.870 -0.367 0.000 1.002 155 L CA -2.164 52.476 54.840 -0.333 0.000 0.818 155 L CB 2.791 44.533 42.059 -0.527 0.000 1.369 155 L HN -0.347 nan 8.230 nan 0.000 0.412 156 P HA 0.176 nan 4.420 nan 0.000 0.272 156 P C -2.552 174.362 177.300 -0.645 0.000 1.223 156 P CA -1.079 61.493 63.100 -0.879 0.000 0.784 156 P CB -0.069 31.380 31.700 -0.418 0.000 0.923 157 P HA 0.069 nan 4.420 nan 0.000 0.266 157 P C 0.999 178.187 177.300 -0.186 0.000 1.195 157 P CA 1.138 63.966 63.100 -0.452 0.000 0.768 157 P CB 0.118 31.520 31.700 -0.497 0.000 0.838 158 G N 1.691 110.432 108.800 -0.098 0.000 2.253 158 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.251 158 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.251 158 G C 0.893 175.812 174.900 0.031 0.000 0.998 158 G CA 0.275 45.372 45.100 -0.004 0.000 0.621 158 G HN 0.510 nan 8.290 nan 0.000 0.524 159 F N 1.290 121.109 119.950 -0.217 0.000 2.126 159 F HA 0.196 4.723 4.527 -0.000 0.000 0.299 159 F C 2.230 177.889 175.800 -0.234 0.000 1.096 159 F CA 2.128 59.874 58.000 -0.424 0.000 1.255 159 F CB -0.087 38.508 39.000 -0.675 0.000 0.997 159 F HN 0.188 nan 8.300 nan 0.000 0.479 160 L N 0.123 121.360 121.223 0.024 0.000 2.612 160 L HA 0.025 4.365 4.340 -0.000 0.000 0.230 160 L C -0.205 176.619 176.870 -0.077 0.000 1.140 160 L CA -0.263 54.560 54.840 -0.029 0.000 0.896 160 L CB -0.873 41.173 42.059 -0.022 0.000 1.065 160 L HN -0.110 nan 8.230 nan 0.000 0.447 161 D N 1.329 121.679 120.400 -0.084 0.000 2.520 161 D HA -0.080 4.560 4.640 -0.000 0.000 0.243 161 D C 1.130 177.390 176.300 -0.066 0.000 1.160 161 D CA 0.533 54.494 54.000 -0.065 0.000 0.877 161 D CB 0.817 41.584 40.800 -0.053 0.000 1.150 161 D HN 0.261 nan 8.370 nan 0.000 0.494 162 E N 1.026 121.199 120.200 -0.046 0.000 2.338 162 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 162 E C 0.609 177.197 176.600 -0.021 0.000 1.007 162 E CA 0.623 57.004 56.400 -0.033 0.000 0.849 162 E CB 0.195 29.880 29.700 -0.025 0.000 0.774 162 E HN 0.467 nan 8.360 nan 0.000 0.506 163 D N 0.793 121.178 120.400 -0.025 0.000 2.538 163 D HA -0.032 4.608 4.640 -0.000 0.000 0.234 163 D C 0.116 176.402 176.300 -0.023 0.000 1.191 163 D CA 0.034 54.023 54.000 -0.018 0.000 0.828 163 D CB -0.181 40.607 40.800 -0.020 0.000 0.981 163 D HN -0.019 nan 8.370 nan 0.000 0.490 164 T N -3.848 110.692 114.554 -0.023 0.000 2.841 164 T HA 0.529 4.879 4.350 -0.000 0.000 0.296 164 T C -1.324 173.395 174.700 0.032 0.000 1.166 164 T CA -0.895 61.187 62.100 -0.031 0.000 1.007 164 T CB 2.479 71.299 68.868 -0.080 0.000 1.253 164 T HN 0.131 nan 8.240 nan 0.000 0.511 165 H N -0.738 118.295 119.070 -0.062 0.000 2.717 165 H HA 0.752 5.308 4.556 -0.000 0.000 0.366 165 H C -1.742 173.651 175.328 0.107 0.000 1.132 165 H CA -0.772 55.297 56.048 0.035 0.000 1.180 165 H CB 1.269 31.122 29.762 0.152 0.000 1.678 165 H HN 0.580 nan 8.280 nan 0.000 0.537 166 L N 4.598 125.620 121.223 -0.335 0.000 2.362 166 L HA 0.541 4.881 4.340 -0.000 0.000 0.271 166 L C -1.139 175.585 176.870 -0.245 0.000 1.002 166 L CA -0.367 54.397 54.840 -0.126 0.000 0.818 166 L CB 1.815 43.736 42.059 -0.230 0.000 1.298 166 L HN 0.508 nan 8.230 nan 0.000 0.420 167 L N 1.602 122.681 121.223 -0.240 0.000 2.431 167 L HA 0.967 5.307 4.340 -0.000 0.000 0.266 167 L C -0.001 176.502 176.870 -0.612 0.000 0.978 167 L CA -0.345 54.047 54.840 -0.747 0.000 0.822 167 L CB 2.222 43.328 42.059 -1.589 0.000 1.310 167 L HN 0.734 nan 8.230 nan 0.000 0.409 168 G N 1.934 110.374 108.800 -0.600 0.000 2.619 168 G HA2 0.781 4.741 3.960 -0.000 0.000 0.305 168 G HA3 0.781 4.741 3.960 -0.000 0.000 0.305 168 G C -1.684 172.927 174.900 -0.482 0.000 1.330 168 G CA -0.498 44.495 45.100 -0.179 0.000 0.789 168 G HN 0.700 nan 8.290 nan 0.000 0.487 169 I N -2.669 117.852 120.570 -0.083 0.000 3.279 169 I HA 0.929 5.099 4.170 -0.000 0.000 0.315 169 I C -0.909 175.275 176.117 0.110 0.000 1.187 169 I CA -1.543 59.706 61.300 -0.086 0.000 0.953 169 I CB 2.662 40.618 38.000 -0.072 0.000 1.279 169 I HN 0.852 nan 8.210 nan 0.000 0.465 170 R N 1.858 122.341 120.500 -0.028 0.000 2.740 170 R HA 0.841 5.181 4.340 -0.000 0.000 0.273 170 R C -1.458 174.715 176.300 -0.212 0.000 0.998 170 R CA -0.933 54.945 56.100 -0.370 0.000 0.900 170 R CB 2.454 32.188 30.300 -0.943 0.000 1.223 170 R HN 0.991 nan 8.270 nan 0.000 0.466 171 R N 0.341 120.736 120.500 -0.176 0.000 2.734 171 R HA 0.401 4.741 4.340 -0.000 0.000 0.271 171 R C -1.502 174.795 176.300 -0.004 0.000 1.021 171 R CA -0.902 55.177 56.100 -0.034 0.000 0.893 171 R CB 1.950 32.289 30.300 0.064 0.000 1.244 171 R HN 0.558 nan 8.270 nan 0.000 0.464 172 T N 1.442 115.999 114.554 0.005 0.000 2.845 172 T HA 0.433 4.783 4.350 -0.000 0.000 0.288 172 T C -0.493 174.189 174.700 -0.029 0.000 0.980 172 T CA -0.420 61.672 62.100 -0.013 0.000 1.071 172 T CB 1.322 70.190 68.868 -0.000 0.000 0.941 172 T HN 0.308 nan 8.240 nan 0.000 0.487 173 V N 3.826 123.646 119.914 -0.157 0.000 2.604 173 V HA 0.289 4.409 4.120 -0.000 0.000 0.305 173 V C -0.065 175.963 176.094 -0.110 0.000 1.043 173 V CA -0.969 61.219 62.300 -0.186 0.000 0.888 173 V CB 2.032 33.582 31.823 -0.454 0.000 0.995 173 V HN 0.726 nan 8.190 nan 0.000 0.429 174 Q N 3.276 123.083 119.800 0.011 0.000 3.247 174 Q HA 0.313 4.653 4.340 -0.000 0.000 0.326 174 Q C 0.208 176.277 176.000 0.115 0.000 1.402 174 Q CA 0.029 55.872 55.803 0.066 0.000 0.994 174 Q CB 0.496 29.277 28.738 0.071 0.000 1.647 174 Q HN 0.875 nan 8.270 nan 0.000 0.523 175 S N -0.595 115.212 115.700 0.178 0.000 2.588 175 S HA 0.330 4.800 4.470 -0.000 0.000 0.269 175 S C -0.560 174.243 174.600 0.338 0.000 1.157 175 S CA -1.008 57.330 58.200 0.230 0.000 0.824 175 S CB 1.741 65.074 63.200 0.221 0.000 1.126 175 S HN 0.397 nan 8.310 nan 0.000 0.464 176 N N 1.442 120.271 118.700 0.215 0.000 2.441 176 N HA -0.016 4.724 4.740 -0.000 0.000 0.251 176 N C 1.598 177.171 175.510 0.106 0.000 1.242 176 N CA 0.292 53.458 53.050 0.193 0.000 0.898 176 N CB 0.432 38.981 38.487 0.104 0.000 1.100 176 N HN 0.943 nan 8.380 nan 0.000 0.443 177 W N 5.182 126.474 121.300 -0.012 0.000 2.350 177 W HA -0.152 4.508 4.660 -0.000 0.000 0.289 177 W C 1.124 177.488 176.519 -0.259 0.000 1.215 177 W CA 0.402 57.602 57.345 -0.241 0.000 1.236 177 W CB -0.740 28.695 29.460 -0.042 0.000 1.130 177 W HN 0.587 nan 8.180 nan 0.000 0.541 178 R N 0.834 120.670 120.500 -1.107 0.000 2.148 178 R HA -0.037 4.303 4.340 -0.000 0.000 0.227 178 R C 2.479 178.524 176.300 -0.425 0.000 1.103 178 R CA 1.654 57.188 56.100 -0.945 0.000 0.983 178 R CB -0.533 29.186 30.300 -0.968 0.000 0.874 178 R HN 0.261 nan 8.270 nan 0.000 0.451 179 L N -0.664 120.351 121.223 -0.346 0.000 2.291 179 L HA -0.002 4.338 4.340 -0.000 0.000 0.214 179 L C 2.382 179.050 176.870 -0.337 0.000 1.120 179 L CA 0.955 55.612 54.840 -0.305 0.000 0.799 179 L CB -0.494 41.443 42.059 -0.204 0.000 0.925 179 L HN 0.331 nan 8.230 nan 0.000 0.446 180 G N -0.171 108.351 108.800 -0.463 0.000 2.404 180 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 180 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 180 G C 1.579 175.807 174.900 -1.120 0.000 1.189 180 G CA 0.646 45.405 45.100 -0.568 0.000 0.789 180 G HN 0.121 nan 8.290 nan 0.000 0.533 181 V N 1.080 120.243 119.914 -1.252 0.000 2.332 181 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 181 V C 2.602 178.308 176.094 -0.646 0.000 1.055 181 V CA 2.237 63.834 62.300 -1.171 0.000 1.038 181 V CB -0.541 30.914 31.823 -0.613 0.000 0.651 181 V HN 0.468 nan 8.190 nan 0.000 0.450 182 E N -0.080 119.867 120.200 -0.421 0.000 2.347 182 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 182 E C 2.078 178.525 176.600 -0.256 0.000 1.008 182 E CA 0.678 56.937 56.400 -0.235 0.000 0.852 182 E CB -0.212 29.409 29.700 -0.131 0.000 0.783 182 E HN 0.671 nan 8.360 nan 0.000 0.505 183 N N 0.592 119.085 118.700 -0.346 0.000 2.333 183 N HA -0.079 4.661 4.740 -0.000 0.000 0.178 183 N C 1.862 177.106 175.510 -0.443 0.000 1.018 183 N CA 1.077 53.885 53.050 -0.403 0.000 0.882 183 N CB 0.186 38.471 38.487 -0.337 0.000 0.984 183 N HN 0.112 nan 8.380 nan 0.000 0.434 184 G N -0.291 108.368 108.800 -0.234 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 0.463 175.412 174.900 0.081 0.000 1.166 184 G CA -0.083 45.025 45.100 0.014 0.000 0.802 184 G HN 0.305 nan 8.290 nan 0.000 0.533 185 F N 2.406 122.244 119.950 -0.187 0.000 2.759 185 F HA 0.429 4.956 4.527 -0.000 0.000 0.322 185 F C -0.712 175.020 175.800 -0.114 0.000 1.199 185 F CA -1.915 55.987 58.000 -0.163 0.000 1.272 185 F CB 0.034 38.863 39.000 -0.285 0.000 1.467 185 F HN -0.087 nan 8.300 nan 0.000 0.561 186 D N 1.018 121.346 120.400 -0.120 0.000 2.575 186 D HA 0.093 4.733 4.640 -0.000 0.000 0.250 186 D C 0.959 177.323 176.300 0.106 0.000 1.279 186 D CA 0.014 53.979 54.000 -0.059 0.000 0.925 186 D CB 1.743 42.528 40.800 -0.025 0.000 1.261 186 D HN 0.320 nan 8.370 nan 0.000 0.567 187 T N -0.383 114.141 114.554 -0.051 0.000 3.118 187 T HA -0.051 4.299 4.350 -0.000 0.000 0.260 187 T C 1.257 176.018 174.700 0.100 0.000 1.139 187 T CA 1.258 63.364 62.100 0.009 0.000 1.085 187 T CB -0.090 68.715 68.868 -0.105 0.000 0.934 187 T HN 0.364 nan 8.240 nan 0.000 0.518 188 T N -1.101 113.523 114.554 0.117 0.000 3.043 188 T HA 0.144 4.494 4.350 -0.000 0.000 0.272 188 T C 1.613 176.407 174.700 0.156 0.000 0.990 188 T CA 0.071 62.244 62.100 0.122 0.000 0.897 188 T CB -0.427 68.556 68.868 0.192 0.000 1.111 188 T HN 0.664 nan 8.240 nan 0.000 0.529 189 H N 2.556 121.692 119.070 0.110 0.000 2.524 189 H HA 0.091 4.646 4.556 -0.000 0.000 0.282 189 H C 1.924 177.326 175.328 0.123 0.000 1.016 189 H CA 0.985 57.091 56.048 0.097 0.000 1.270 189 H CB -0.550 29.231 29.762 0.031 0.000 1.394 189 H HN 0.629 nan 8.280 nan 0.000 0.568 190 I N -1.836 118.440 120.570 -0.490 0.000 2.800 190 I HA -0.185 3.985 4.170 -0.000 0.000 0.266 190 I C 2.205 178.382 176.117 0.101 0.000 1.249 190 I CA 0.856 62.045 61.300 -0.184 0.000 1.458 190 I CB -1.057 36.868 38.000 -0.125 0.000 1.093 190 I HN 0.001 nan 8.210 nan 0.000 0.466 191 F N 3.620 123.544 119.950 -0.042 0.000 2.161 191 F HA -0.237 4.290 4.527 -0.000 0.000 0.300 191 F C 2.388 178.224 175.800 0.060 0.000 1.089 191 F CA 2.279 60.322 58.000 0.071 0.000 1.282 191 F CB -0.308 38.710 39.000 0.029 0.000 1.010 191 F HN 0.221 nan 8.300 nan 0.000 0.485 192 M N -1.203 118.322 119.600 -0.126 0.000 2.460 192 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 192 M C 0.928 177.061 176.300 -0.277 0.000 1.071 192 M CA 1.635 56.769 55.300 -0.277 0.000 1.096 192 M CB -0.782 31.656 32.600 -0.270 0.000 1.408 192 M HN 0.075 nan 8.290 nan 0.000 0.463 193 H N 1.505 120.539 119.070 -0.061 0.000 2.539 193 H HA 0.167 4.723 4.556 -0.000 0.000 0.269 193 H C 1.838 177.207 175.328 0.068 0.000 0.980 193 H CA 0.766 56.754 56.048 -0.100 0.000 1.152 193 H CB -0.282 29.331 29.762 -0.248 0.000 1.407 193 H HN 0.648 nan 8.280 nan 0.000 0.564 194 R N 0.941 121.563 120.500 0.203 0.000 2.170 194 R HA -0.115 4.225 4.340 -0.000 0.000 0.242 194 R C 0.427 176.835 176.300 0.180 0.000 1.145 194 R CA 1.738 57.988 56.100 0.249 0.000 0.984 194 R CB -0.423 30.021 30.300 0.240 0.000 0.869 194 R HN 0.209 nan 8.270 nan 0.000 0.455 195 N N 0.575 119.341 118.700 0.110 0.000 2.214 195 N HA 0.015 4.755 4.740 -0.000 0.000 0.214 195 N C -0.675 174.907 175.510 0.120 0.000 1.132 195 N CA -0.268 52.843 53.050 0.102 0.000 0.856 195 N CB 0.975 39.500 38.487 0.063 0.000 1.020 195 N HN 0.128 nan 8.380 nan 0.000 0.509 196 S N 1.928 117.716 115.700 0.146 0.000 2.549 196 S HA 0.098 4.568 4.470 -0.000 0.000 0.283 196 S C -1.234 173.490 174.600 0.207 0.000 1.320 196 S CA -1.359 56.948 58.200 0.178 0.000 1.058 196 S CB 0.669 63.986 63.200 0.194 0.000 0.882 196 S HN 0.149 nan 8.310 nan 0.000 0.498 197 P HA -0.065 nan 4.420 nan 0.000 0.231 197 P C 1.196 178.636 177.300 0.233 0.000 1.158 197 P CA 0.647 63.854 63.100 0.179 0.000 0.763 197 P CB -0.095 31.699 31.700 0.157 0.000 0.805 198 W N 0.824 122.189 121.300 0.108 0.000 2.518 198 W HA -0.077 4.583 4.660 -0.000 0.000 0.273 198 W C 1.346 177.884 176.519 0.031 0.000 1.247 198 W CA 0.337 57.732 57.345 0.083 0.000 1.288 198 W CB -0.100 29.445 29.460 0.142 0.000 1.107 198 W HN -0.244 nan 8.180 nan 0.000 0.586 199 V N 1.637 121.575 119.914 0.040 0.000 2.237 199 V HA -0.350 3.770 4.120 -0.000 0.000 0.245 199 V C 2.644 178.656 176.094 -0.138 0.000 1.046 199 V CA 2.792 65.043 62.300 -0.082 0.000 1.007 199 V CB -1.226 30.642 31.823 0.075 0.000 0.638 199 V HN 0.291 nan 8.190 nan 0.000 0.445 200 S N 0.457 116.120 115.700 -0.061 0.000 2.414 200 S HA -0.003 4.467 4.470 -0.000 0.000 0.227 200 S C 2.089 176.604 174.600 -0.142 0.000 1.022 200 S CA 0.995 59.153 58.200 -0.070 0.000 0.958 200 S CB -0.592 62.602 63.200 -0.011 0.000 0.797 200 S HN 0.533 nan 8.310 nan 0.000 0.493 201 G N 1.873 110.574 108.800 -0.164 0.000 2.450 201 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 201 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 201 G C 1.248 175.881 174.900 -0.445 0.000 1.130 201 G CA 0.959 45.935 45.100 -0.207 0.000 0.760 201 G HN 0.606 nan 8.290 nan 0.000 0.557 202 N N -0.609 117.644 118.700 -0.746 0.000 2.338 202 N HA 0.048 4.788 4.740 -0.000 0.000 0.251 202 N C 0.810 176.065 175.510 -0.425 0.000 1.199 202 N CA -0.390 52.194 53.050 -0.777 0.000 0.879 202 N CB -0.265 37.335 38.487 -1.478 0.000 1.159 202 N HN 0.178 nan 8.380 nan 0.000 0.514 203 R N 0.613 120.943 120.500 -0.284 0.000 3.405 203 R HA -0.174 4.166 4.340 -0.000 0.000 0.258 203 R C -1.013 175.214 176.300 -0.121 0.000 1.030 203 R CA 0.392 56.399 56.100 -0.155 0.000 0.691 203 R CB -1.902 28.330 30.300 -0.114 0.000 1.093 203 R HN 0.356 nan 8.270 nan 0.000 0.448 204 L N 0.670 121.808 121.223 -0.142 0.000 2.417 204 L HA 0.340 4.680 4.340 -0.000 0.000 0.268 204 L C 1.083 178.020 176.870 0.112 0.000 1.158 204 L CA 0.098 54.923 54.840 -0.026 0.000 0.819 204 L CB 1.139 43.168 42.059 -0.051 0.000 1.112 204 L HN 0.275 nan 8.230 nan 0.000 0.458 205 A N 3.510 126.442 122.820 0.187 0.000 2.621 205 A HA 0.418 4.738 4.320 -0.000 0.000 0.329 205 A C -0.877 176.990 177.584 0.472 0.000 1.458 205 A CA -0.129 52.064 52.037 0.261 0.000 1.052 205 A CB -0.479 18.632 19.000 0.185 0.000 1.142 205 A HN 0.459 nan 8.150 nan 0.000 0.523 206 F N 5.767 125.876 119.950 0.265 0.000 2.434 206 F HA 0.495 5.022 4.527 -0.000 0.000 0.355 206 F C -2.099 173.633 175.800 -0.113 0.000 1.115 206 F CA -2.278 55.804 58.000 0.136 0.000 1.010 206 F CB 1.939 41.037 39.000 0.163 0.000 1.234 206 F HN 0.405 nan 8.300 nan 0.000 0.439 207 P HA 0.067 nan 4.420 nan 0.000 0.275 207 P C -0.051 176.698 177.300 -0.919 0.000 1.266 207 P CA -0.009 62.282 63.100 -1.349 0.000 0.793 207 P CB 1.114 31.679 31.700 -1.891 0.000 1.074 208 Y N -0.880 119.158 120.300 -0.436 0.000 2.519 208 Y HA 0.306 4.856 4.550 -0.000 0.000 0.287 208 Y C 1.730 177.508 175.900 -0.205 0.000 1.128 208 Y CA 1.168 59.188 58.100 -0.133 0.000 1.282 208 Y CB -0.344 38.156 38.460 0.067 0.000 1.027 208 Y HN 0.551 nan 8.280 nan 0.000 0.551 209 G N -1.695 106.893 108.800 -0.354 0.000 2.466 209 G HA2 0.439 4.399 3.960 -0.000 0.000 0.291 209 G HA3 0.439 4.399 3.960 -0.000 0.000 0.291 209 G C -2.087 172.502 174.900 -0.518 0.000 1.460 209 G CA -0.938 43.975 45.100 -0.312 0.000 0.791 209 G HN -0.156 nan 8.290 nan 0.000 0.505 210 F N 0.393 120.281 119.950 -0.103 0.000 2.477 210 F HA 0.586 5.113 4.527 -0.000 0.000 0.335 210 F C 0.226 176.130 175.800 0.174 0.000 1.130 210 F CA -0.774 57.216 58.000 -0.017 0.000 0.948 210 F CB 2.533 41.419 39.000 -0.191 0.000 1.154 210 F HN 0.272 nan 8.300 nan 0.000 0.439 211 V N 5.065 125.181 119.914 0.337 0.000 2.398 211 V HA 0.395 4.515 4.120 -0.000 0.000 0.286 211 V C -2.230 173.823 176.094 -0.068 0.000 1.026 211 V CA -2.449 59.928 62.300 0.129 0.000 0.868 211 V CB 1.664 33.502 31.823 0.025 0.000 0.982 211 V HN 0.476 nan 8.190 nan 0.000 0.443 212 P HA 0.056 nan 4.420 nan 0.000 0.261 212 P C 0.247 177.282 177.300 -0.441 0.000 1.183 212 P CA 0.513 63.084 63.100 -0.880 0.000 0.761 212 P CB 0.844 32.208 31.700 -0.560 0.000 0.785 213 A N 4.200 126.778 122.820 -0.405 0.000 1.884 213 A HA 0.103 4.423 4.320 -0.000 0.000 0.212 213 A C 0.658 178.156 177.584 -0.142 0.000 1.265 213 A CA 1.380 53.309 52.037 -0.179 0.000 0.626 213 A CB -0.578 18.369 19.000 -0.088 0.000 0.943 213 A HN 0.594 nan 8.150 nan 0.000 0.466 214 D N -3.401 116.915 120.400 -0.140 0.000 2.689 214 D HA 0.494 5.134 4.640 -0.000 0.000 0.255 214 D C 0.615 176.856 176.300 -0.098 0.000 1.113 214 D CA -0.737 53.207 54.000 -0.093 0.000 1.115 214 D CB 0.363 41.132 40.800 -0.053 0.000 1.334 214 D HN -0.089 nan 8.370 nan 0.000 0.621 215 R N -0.315 120.146 120.500 -0.065 0.000 2.103 215 R HA -0.023 4.317 4.340 -0.000 0.000 0.242 215 R C 0.610 176.878 176.300 -0.053 0.000 1.142 215 R CA 1.608 57.674 56.100 -0.056 0.000 0.960 215 R CB -0.620 29.657 30.300 -0.040 0.000 0.858 215 R HN 0.487 nan 8.270 nan 0.000 0.439 216 D N 0.169 120.545 120.400 -0.040 0.000 2.325 216 D HA 0.112 4.752 4.640 -0.000 0.000 0.234 216 D C 1.206 177.503 176.300 -0.004 0.000 1.122 216 D CA 0.578 54.567 54.000 -0.019 0.000 0.850 216 D CB 0.217 41.017 40.800 -0.000 0.000 0.921 216 D HN 0.250 nan 8.370 nan 0.000 0.513 217 A N 1.271 124.057 122.820 -0.057 0.000 1.873 217 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 217 A C 1.349 179.003 177.584 0.117 0.000 1.193 217 A CA 1.126 53.120 52.037 -0.072 0.000 0.629 217 A CB -0.279 18.491 19.000 -0.385 0.000 0.826 217 A HN 0.347 nan 8.150 nan 0.000 0.447 218 M N -2.081 117.551 119.600 0.053 0.000 2.464 218 M HA 0.674 5.154 4.480 -0.000 0.000 0.308 218 M C -0.963 175.355 176.300 0.029 0.000 1.127 218 M CA -0.507 54.849 55.300 0.093 0.000 0.913 218 M CB 2.039 34.701 32.600 0.103 0.000 1.689 218 M HN 0.192 nan 8.290 nan 0.000 0.445 219 Q N 1.939 121.755 119.800 0.028 0.000 2.337 219 Q HA 0.653 4.993 4.340 -0.000 0.000 0.270 219 Q C -1.952 173.953 176.000 -0.157 0.000 1.043 219 Q CA -0.751 54.992 55.803 -0.100 0.000 0.794 219 Q CB 3.082 31.726 28.738 -0.157 0.000 1.281 219 Q HN 0.793 nan 8.270 nan 0.000 0.446 220 V N 4.062 123.840 119.914 -0.226 0.000 2.439 220 V HA 0.284 4.404 4.120 -0.000 0.000 0.282 220 V C -1.048 174.850 176.094 -0.328 0.000 1.039 220 V CA -0.363 61.823 62.300 -0.189 0.000 0.913 220 V CB 0.782 32.531 31.823 -0.123 0.000 0.983 220 V HN 0.687 nan 8.190 nan 0.000 0.460 221 Y N 2.996 123.223 120.300 -0.122 0.000 2.587 221 Y HA 0.394 4.944 4.550 -0.000 0.000 0.328 221 Y C 0.243 176.095 175.900 -0.079 0.000 0.980 221 Y CA -1.180 56.891 58.100 -0.050 0.000 1.272 221 Y CB 0.868 39.363 38.460 0.058 0.000 1.094 221 Y HN 0.856 nan 8.280 nan 0.000 0.503 222 D N -0.388 119.998 120.400 -0.024 0.000 2.891 222 D HA 0.146 4.786 4.640 -0.000 0.000 0.312 222 D C -0.617 175.594 176.300 -0.148 0.000 1.354 222 D CA -0.371 53.559 54.000 -0.117 0.000 0.838 222 D CB 0.160 40.881 40.800 -0.132 0.000 1.117 222 D HN 0.350 nan 8.370 nan 0.000 0.473 223 E N 1.149 121.292 120.200 -0.095 0.000 2.235 223 E HA 0.343 4.693 4.350 -0.000 0.000 0.252 223 E C -0.367 176.159 176.600 -0.123 0.000 0.886 223 E CA -0.668 55.672 56.400 -0.100 0.000 0.767 223 E CB 1.021 30.705 29.700 -0.027 0.000 1.205 223 E HN 0.242 nan 8.360 nan 0.000 0.421 224 N N 1.134 119.688 118.700 -0.243 0.000 5.393 224 N HA -0.249 4.491 4.740 -0.000 0.000 0.330 224 N C -1.163 174.109 175.510 -0.397 0.000 0.915 224 N CA 0.847 53.760 53.050 -0.229 0.000 1.070 224 N CB -0.329 38.146 38.487 -0.020 0.000 0.848 224 N HN 0.374 nan 8.380 nan 0.000 0.486 225 W N 1.003 122.327 121.300 0.040 0.000 2.781 225 W HA 0.572 5.232 4.660 -0.000 0.000 0.345 225 W C -1.894 174.640 176.519 0.024 0.000 1.085 225 W CA -0.992 56.382 57.345 0.048 0.000 1.198 225 W CB 0.391 29.853 29.460 0.003 0.000 1.423 225 W HN 0.335 nan 8.180 nan 0.000 0.532 226 P HA 0.323 nan 4.420 nan 0.000 0.276 226 P C -1.234 176.371 177.300 0.508 0.000 1.261 226 P CA -0.314 63.057 63.100 0.452 0.000 0.800 226 P CB 1.284 33.097 31.700 0.189 0.000 1.066 227 K N -0.008 120.743 120.400 0.585 0.000 2.316 227 K HA 0.751 5.070 4.320 -0.000 0.000 0.251 227 K C 0.014 176.808 176.600 0.322 0.000 0.934 227 K CA -0.678 55.811 56.287 0.337 0.000 0.802 227 K CB 2.176 34.661 32.500 -0.026 0.000 1.171 227 K HN 0.792 nan 8.250 nan 0.000 0.426 228 G N 0.244 108.964 108.800 -0.133 0.000 2.490 228 G HA2 0.468 4.428 3.960 -0.000 0.000 0.308 228 G HA3 0.468 4.428 3.960 -0.000 0.000 0.308 228 G C -1.783 172.762 174.900 -0.591 0.000 1.286 228 G CA -0.532 44.174 45.100 -0.657 0.000 0.825 228 G HN 0.303 nan 8.290 nan 0.000 0.479 229 V N 1.094 120.582 119.914 -0.710 0.000 2.638 229 V HA 0.646 4.766 4.120 -0.000 0.000 0.306 229 V C -0.812 175.128 176.094 -0.255 0.000 1.052 229 V CA -0.817 61.298 62.300 -0.308 0.000 0.885 229 V CB 1.681 33.445 31.823 -0.098 0.000 0.999 229 V HN 0.741 nan 8.190 nan 0.000 0.424 230 L N 3.677 124.925 121.223 0.042 0.000 2.333 230 L HA 0.704 5.044 4.340 -0.000 0.000 0.280 230 L C -1.191 175.806 176.870 0.212 0.000 1.004 230 L CA -0.065 54.872 54.840 0.163 0.000 0.820 230 L CB 1.818 44.049 42.059 0.288 0.000 1.247 230 L HN 0.614 nan 8.230 nan 0.000 0.416 231 D N 5.052 125.567 120.400 0.191 0.000 2.280 231 D HA 0.334 4.974 4.640 -0.000 0.000 0.236 231 D C 0.049 176.347 176.300 -0.004 0.000 1.082 231 D CA -0.101 53.948 54.000 0.081 0.000 0.834 231 D CB 1.248 41.941 40.800 -0.178 0.000 1.100 231 D HN 0.352 nan 8.370 nan 0.000 0.486 232 R N 3.143 123.709 120.500 0.110 0.000 3.235 232 R HA 0.219 4.559 4.340 -0.000 0.000 0.232 232 R C 1.248 177.569 176.300 0.035 0.000 1.475 232 R CA -0.195 55.945 56.100 0.066 0.000 1.405 232 R CB 0.353 30.722 30.300 0.116 0.000 1.266 232 R HN 0.393 nan 8.270 nan 0.000 0.650 233 L N 0.405 121.442 121.223 -0.309 0.000 1.989 233 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 233 L C 2.526 179.276 176.870 -0.201 0.000 1.071 233 L CA 1.999 56.477 54.840 -0.603 0.000 0.749 233 L CB -0.631 40.716 42.059 -1.186 0.000 0.890 233 L HN 0.517 nan 8.230 nan 0.000 0.431 234 S N -0.522 115.108 115.700 -0.117 0.000 2.355 234 S HA -0.176 4.294 4.470 -0.000 0.000 0.222 234 S C 1.717 176.364 174.600 0.078 0.000 1.031 234 S CA 1.103 59.319 58.200 0.027 0.000 0.993 234 S CB -0.376 62.842 63.200 0.031 0.000 0.859 234 S HN 0.474 nan 8.310 nan 0.000 0.453 235 E N 2.035 122.276 120.200 0.068 0.000 2.008 235 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 235 E C 0.857 177.513 176.600 0.093 0.000 0.986 235 E CA 1.387 57.834 56.400 0.077 0.000 0.807 235 E CB -0.267 29.472 29.700 0.066 0.000 0.766 235 E HN 0.638 nan 8.360 nan 0.000 0.450 236 N N -0.803 117.974 118.700 0.128 0.000 2.273 236 N HA 0.131 4.871 4.740 -0.000 0.000 0.231 236 N C -1.194 174.351 175.510 0.058 0.000 1.134 236 N CA -0.009 53.092 53.050 0.084 0.000 0.856 236 N CB 0.452 38.959 38.487 0.033 0.000 1.068 236 N HN 0.051 nan 8.380 nan 0.000 0.510 237 Y N 0.282 120.588 120.300 0.011 0.000 2.536 237 Y HA 0.425 4.975 4.550 -0.000 0.000 0.347 237 Y C -0.205 175.760 175.900 0.108 0.000 1.000 237 Y CA -1.226 56.902 58.100 0.047 0.000 1.051 237 Y CB 1.557 40.041 38.460 0.040 0.000 1.259 237 Y HN -0.084 nan 8.280 nan 0.000 0.468 238 M N 6.999 126.744 119.600 0.242 0.000 2.061 238 M HA 0.437 4.917 4.480 -0.000 0.000 0.346 238 M C -2.838 173.558 176.300 0.159 0.000 1.112 238 M CA -1.791 53.610 55.300 0.168 0.000 1.021 238 M CB 1.150 33.798 32.600 0.080 0.000 1.530 238 M HN 0.287 nan 8.290 nan 0.000 0.437 239 P HA 0.165 nan 4.420 nan 0.000 0.278 239 P C -1.134 175.996 177.300 -0.283 0.000 1.238 239 P CA -0.364 62.582 63.100 -0.258 0.000 0.794 239 P CB 1.210 32.737 31.700 -0.289 0.000 0.955 240 V N 4.203 123.841 119.914 -0.459 0.000 2.294 240 V HA 0.174 4.294 4.120 -0.000 0.000 0.272 240 V C 0.583 176.498 176.094 -0.299 0.000 1.027 240 V CA 0.016 62.190 62.300 -0.210 0.000 0.823 240 V CB -0.207 31.574 31.823 -0.070 0.000 1.030 240 V HN 0.427 nan 8.190 nan 0.000 0.457 241 F N 1.598 121.534 119.950 -0.023 0.000 2.727 241 F HA 0.346 4.872 4.527 -0.000 0.000 0.302 241 F C 1.127 177.021 175.800 0.157 0.000 1.097 241 F CA 0.022 57.974 58.000 -0.080 0.000 1.330 241 F CB 0.583 39.534 39.000 -0.083 0.000 1.084 241 F HN 0.424 nan 8.300 nan 0.000 0.578 242 E N -0.009 120.431 120.200 0.400 0.000 2.290 242 E HA 0.635 4.985 4.350 -0.000 0.000 0.274 242 E C -1.070 175.668 176.600 0.230 0.000 0.889 242 E CA -0.748 55.866 56.400 0.356 0.000 0.760 242 E CB 2.234 32.061 29.700 0.211 0.000 1.206 242 E HN -0.048 nan 8.360 nan 0.000 0.419 243 A N 1.951 124.830 122.820 0.098 0.000 2.304 243 A HA 0.674 4.994 4.320 -0.000 0.000 0.323 243 A C -0.121 177.453 177.584 -0.017 0.000 1.195 243 A CA -0.546 51.471 52.037 -0.033 0.000 0.826 243 A CB 0.904 19.774 19.000 -0.216 0.000 1.184 243 A HN 0.546 nan 8.150 nan 0.000 0.496 244 T N 0.078 114.623 114.554 -0.015 0.000 2.912 244 T HA 0.749 5.098 4.350 -0.000 0.000 0.288 244 T C -0.679 174.006 174.700 -0.026 0.000 1.030 244 T CA -0.698 61.397 62.100 -0.009 0.000 1.020 244 T CB 1.262 70.135 68.868 0.007 0.000 1.056 244 T HN 0.568 nan 8.240 nan 0.000 0.480 245 L N 2.029 123.241 121.223 -0.020 0.000 2.528 245 L HA 0.337 4.677 4.340 -0.000 0.000 0.267 245 L C -1.009 175.852 176.870 -0.015 0.000 0.961 245 L CA -0.670 54.155 54.840 -0.025 0.000 0.866 245 L CB 1.532 43.573 42.059 -0.029 0.000 1.248 245 L HN 0.891 nan 8.230 nan 0.000 0.404 246 D N 3.981 124.372 120.400 -0.015 0.000 2.735 246 D HA -0.178 4.462 4.640 -0.000 0.000 0.235 246 D C 0.996 177.293 176.300 -0.005 0.000 1.175 246 D CA 1.461 55.454 54.000 -0.010 0.000 0.683 246 D CB -0.576 40.217 40.800 -0.011 0.000 1.008 246 D HN 1.102 nan 8.370 nan 0.000 0.416 247 G N 0.124 108.923 108.800 -0.002 0.000 2.249 247 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.273 247 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.273 247 G C -0.062 174.841 174.900 0.005 0.000 1.036 247 G CA 0.718 45.819 45.100 0.002 0.000 0.824 247 G HN 0.467 nan 8.290 nan 0.000 0.504 248 E N -0.621 119.582 120.200 0.005 0.000 2.343 248 E HA 0.351 4.701 4.350 -0.000 0.000 0.278 248 E C -0.500 176.107 176.600 0.011 0.000 0.910 248 E CA -0.512 55.893 56.400 0.008 0.000 0.757 248 E CB 1.386 31.089 29.700 0.006 0.000 1.218 248 E HN 0.075 nan 8.360 nan 0.000 0.435 249 T N 1.446 116.012 114.554 0.020 0.000 2.727 249 T HA 0.151 4.501 4.350 -0.000 0.000 0.295 249 T C 1.358 176.071 174.700 0.022 0.000 0.915 249 T CA -0.179 61.938 62.100 0.028 0.000 1.066 249 T CB 0.195 69.090 68.868 0.045 0.000 0.891 249 T HN 0.358 nan 8.240 nan 0.000 0.516 250 V N 1.905 121.823 119.914 0.008 0.000 3.660 250 V HA 0.522 4.642 4.120 -0.000 0.000 0.276 250 V C 0.037 176.130 176.094 -0.002 0.000 1.317 250 V CA 0.073 62.374 62.300 0.002 0.000 1.097 250 V CB -0.230 31.587 31.823 -0.010 0.000 0.863 250 V HN 0.515 nan 8.190 nan 0.000 0.438 251 L N 0.425 121.645 121.223 -0.005 0.000 2.513 251 L HA 0.805 5.145 4.340 -0.000 0.000 0.261 251 L C -0.888 176.068 176.870 0.144 0.000 0.945 251 L CA 0.077 54.910 54.840 -0.011 0.000 0.848 251 L CB 2.122 44.017 42.059 -0.273 0.000 1.334 251 L HN 0.195 nan 8.230 nan 0.000 0.407 252 S N 2.589 118.461 115.700 0.288 0.000 2.566 252 S HA 0.899 5.369 4.470 -0.000 0.000 0.273 252 S C -0.856 173.943 174.600 0.332 0.000 1.157 252 S CA 0.011 58.420 58.200 0.348 0.000 0.938 252 S CB 1.272 64.585 63.200 0.189 0.000 1.087 252 S HN 1.027 nan 8.310 nan 0.000 0.474 253 A N 3.295 126.285 122.820 0.284 0.000 2.386 253 A HA 0.480 4.800 4.320 -0.000 0.000 0.248 253 A C 1.093 178.728 177.584 0.086 0.000 1.082 253 A CA 0.257 52.384 52.037 0.149 0.000 0.789 253 A CB 0.031 19.124 19.000 0.156 0.000 1.025 253 A HN 1.015 nan 8.150 nan 0.000 0.490 254 E N 1.334 121.566 120.200 0.052 0.000 1.998 254 E HA -0.046 4.304 4.350 -0.000 0.000 0.196 254 E C -0.252 176.322 176.600 -0.043 0.000 1.003 254 E CA 0.667 57.076 56.400 0.014 0.000 0.829 254 E CB -0.247 29.461 29.700 0.013 0.000 0.777 254 E HN 0.435 nan 8.360 nan 0.000 0.460 255 L N 2.123 123.296 121.223 -0.083 0.000 3.468 255 L HA -0.130 4.210 4.340 -0.000 0.000 0.537 255 L C 0.286 177.089 176.870 -0.113 0.000 1.321 255 L CA 0.957 55.699 54.840 -0.164 0.000 0.899 255 L CB -2.443 39.428 42.059 -0.312 0.000 1.635 255 L HN 0.478 nan 8.230 nan 0.000 0.856 256 T N -2.136 112.375 114.554 -0.073 0.000 3.155 256 T HA 0.152 4.502 4.350 -0.000 0.000 0.264 256 T C 1.643 176.309 174.700 -0.056 0.000 1.160 256 T CA 1.201 63.268 62.100 -0.054 0.000 1.075 256 T CB 0.077 68.922 68.868 -0.037 0.000 0.921 256 T HN 0.988 nan 8.240 nan 0.000 0.533 257 G N 1.531 110.286 108.800 -0.074 0.000 2.176 257 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 257 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 257 G C 0.701 175.574 174.900 -0.044 0.000 0.979 257 G CA 0.175 45.237 45.100 -0.063 0.000 0.641 257 G HN 0.507 nan 8.290 nan 0.000 0.530 258 E N 0.427 120.602 120.200 -0.042 0.000 2.498 258 E HA 0.199 4.549 4.350 -0.000 0.000 0.203 258 E C 0.821 177.402 176.600 -0.030 0.000 1.013 258 E CA 0.083 56.464 56.400 -0.031 0.000 0.927 258 E CB 0.375 30.058 29.700 -0.028 0.000 1.012 258 E HN 0.668 nan 8.360 nan 0.000 0.482 259 E N 1.522 121.701 120.200 -0.036 0.000 2.438 259 E HA 0.019 4.369 4.350 -0.000 0.000 0.261 259 E C 0.031 176.627 176.600 -0.007 0.000 1.103 259 E CA 0.466 56.850 56.400 -0.026 0.000 0.959 259 E CB 0.619 30.307 29.700 -0.020 0.000 0.958 259 E HN -0.107 nan 8.360 nan 0.000 0.447 260 K N 1.898 122.295 120.400 -0.006 0.000 2.174 260 K HA 0.230 4.550 4.320 -0.000 0.000 0.275 260 K C -0.348 176.287 176.600 0.058 0.000 1.015 260 K CA -0.697 55.596 56.287 0.010 0.000 0.933 260 K CB 0.777 33.266 32.500 -0.019 0.000 1.025 260 K HN 0.124 nan 8.250 nan 0.000 0.463 261 K N 2.553 122.995 120.400 0.069 0.000 2.211 261 K HA 0.314 4.634 4.320 -0.000 0.000 0.275 261 K C -0.134 176.541 176.600 0.126 0.000 1.024 261 K CA -0.441 55.914 56.287 0.114 0.000 0.887 261 K CB 1.275 33.832 32.500 0.095 0.000 1.084 261 K HN 0.520 nan 8.250 nan 0.000 0.463 262 V N -2.342 117.691 119.914 0.200 0.000 3.181 262 V HA 0.799 4.918 4.120 -0.000 0.000 0.308 262 V C -0.055 176.195 176.094 0.259 0.000 1.214 262 V CA -0.890 61.551 62.300 0.235 0.000 1.053 262 V CB 1.373 33.388 31.823 0.321 0.000 1.069 262 V HN 0.830 nan 8.190 nan 0.000 0.441 263 A N -0.130 122.829 122.820 0.232 0.000 2.578 263 A HA 0.036 4.356 4.320 -0.000 0.000 0.298 263 A C 1.462 179.002 177.584 -0.075 0.000 1.472 263 A CA 1.506 53.586 52.037 0.072 0.000 0.734 263 A CB -1.748 17.307 19.000 0.092 0.000 1.091 263 A HN 2.595 nan 8.150 nan 0.000 0.426 264 A N -0.706 122.095 122.820 -0.033 0.000 1.968 264 A HA 0.269 4.589 4.320 -0.000 0.000 0.217 264 A C 1.024 178.529 177.584 -0.131 0.000 1.169 264 A CA 1.795 53.793 52.037 -0.065 0.000 0.638 264 A CB 0.060 19.058 19.000 -0.003 0.000 0.812 264 A HN 0.957 nan 8.150 nan 0.000 0.446 265 Q N -1.713 118.029 119.800 -0.098 0.000 2.379 265 Q HA 0.606 4.946 4.340 -0.000 0.000 0.278 265 Q C -1.780 174.185 176.000 -0.059 0.000 1.068 265 Q CA -0.533 55.219 55.803 -0.085 0.000 0.816 265 Q CB 2.705 31.448 28.738 0.009 0.000 1.387 265 Q HN 0.131 nan 8.270 nan 0.000 0.413 266 V N 1.187 121.078 119.914 -0.038 0.000 2.760 266 V HA 0.837 4.957 4.120 -0.000 0.000 0.309 266 V C -1.525 174.704 176.094 0.225 0.000 1.077 266 V CA -0.142 62.194 62.300 0.060 0.000 0.910 266 V CB 2.102 33.922 31.823 -0.005 0.000 1.008 266 V HN 0.937 nan 8.190 nan 0.000 0.424 267 S N 4.710 120.539 115.700 0.215 0.000 2.579 267 S HA 0.833 5.303 4.470 -0.000 0.000 0.272 267 S C -1.352 173.080 174.600 -0.280 0.000 1.141 267 S CA -0.636 57.580 58.200 0.027 0.000 0.843 267 S CB 1.705 64.988 63.200 0.140 0.000 1.122 267 S HN 1.479 nan 8.310 nan 0.000 0.468 268 V N 1.800 121.152 119.914 -0.938 0.000 2.656 268 V HA 0.847 4.967 4.120 -0.000 0.000 0.307 268 V C -2.159 173.449 176.094 -0.810 0.000 1.051 268 V CA -0.526 61.277 62.300 -0.828 0.000 0.893 268 V CB 1.412 32.417 31.823 -1.363 0.000 0.999 268 V HN 0.963 nan 8.190 nan 0.000 0.426 269 W N 4.557 125.737 121.300 -0.200 0.000 2.844 269 W HA 0.686 5.346 4.660 -0.000 0.000 0.340 269 W C -0.405 176.193 176.519 0.132 0.000 1.093 269 W CA -0.825 56.524 57.345 0.007 0.000 1.212 269 W CB 1.457 30.912 29.460 -0.008 0.000 1.422 269 W HN 0.448 nan 8.180 nan 0.000 0.515 270 L N 4.663 126.176 121.223 0.484 0.000 2.483 270 L HA 0.049 4.389 4.340 -0.000 0.000 0.276 270 L C -0.824 176.172 176.870 0.210 0.000 1.213 270 L CA -0.976 54.107 54.840 0.404 0.000 0.843 270 L CB 0.662 42.941 42.059 0.366 0.000 1.107 270 L HN 0.248 nan 8.230 nan 0.000 0.487 271 P HA 0.060 nan 4.420 nan 0.000 0.245 271 P C 0.352 177.996 177.300 0.572 0.000 1.212 271 P CA 0.555 63.685 63.100 0.050 0.000 0.774 271 P CB 0.530 32.033 31.700 -0.327 0.000 0.999 272 G N -0.932 108.130 108.800 0.437 0.000 2.618 272 G HA2 0.108 4.068 3.960 -0.000 0.000 0.234 272 G HA3 0.108 4.068 3.960 -0.000 0.000 0.234 272 G C -1.074 173.954 174.900 0.214 0.000 2.826 272 G CA -0.654 44.650 45.100 0.341 0.000 0.836 272 G HN 0.054 nan 8.290 nan 0.000 0.498 273 V N 1.319 121.251 119.914 0.030 0.000 2.531 273 V HA 0.732 4.852 4.120 -0.000 0.000 0.301 273 V C 0.199 176.284 176.094 -0.015 0.000 1.034 273 V CA -1.016 61.196 62.300 -0.147 0.000 0.865 273 V CB 1.816 33.379 31.823 -0.434 0.000 0.995 273 V HN 0.574 nan 8.190 nan 0.000 0.424 274 L N 4.142 125.390 121.223 0.041 0.000 2.379 274 L HA 0.631 4.971 4.340 -0.000 0.000 0.269 274 L C -0.107 176.869 176.870 0.176 0.000 1.084 274 L CA 0.163 55.076 54.840 0.121 0.000 0.802 274 L CB 1.219 43.411 42.059 0.222 0.000 1.175 274 L HN 0.734 nan 8.230 nan 0.000 0.448 275 K N 3.223 123.728 120.400 0.175 0.000 2.613 275 K HA 0.538 4.858 4.320 -0.000 0.000 0.248 275 K C -2.038 174.577 176.600 0.025 0.000 0.959 275 K CA -0.610 55.724 56.287 0.079 0.000 0.855 275 K CB 1.442 34.073 32.500 0.219 0.000 1.143 275 K HN 0.430 nan 8.250 nan 0.000 0.437 276 V N 3.281 123.159 119.914 -0.059 0.000 2.347 276 V HA 0.300 4.420 4.120 -0.000 0.000 0.280 276 V C -0.662 175.414 176.094 -0.029 0.000 1.021 276 V CA -0.703 61.578 62.300 -0.031 0.000 0.847 276 V CB 1.274 33.059 31.823 -0.064 0.000 0.990 276 V HN 0.718 nan 8.190 nan 0.000 0.444 277 D N 6.957 127.351 120.400 -0.010 0.000 2.505 277 D HA 0.499 5.139 4.640 -0.000 0.000 0.250 277 D C -2.807 173.507 176.300 0.022 0.000 1.164 277 D CA -1.614 52.381 54.000 -0.008 0.000 0.870 277 D CB 3.208 43.999 40.800 -0.014 0.000 1.160 277 D HN 0.301 nan 8.370 nan 0.000 0.549 278 P HA 0.585 nan 4.420 nan 0.000 0.289 278 P C -1.146 176.251 177.300 0.161 0.000 1.293 278 P CA -0.678 62.445 63.100 0.039 0.000 0.897 278 P CB 1.812 33.512 31.700 -0.000 0.000 1.166 279 F N 1.123 121.009 119.950 -0.108 0.000 2.765 279 F HA 0.261 4.788 4.527 -0.000 0.000 0.313 279 F C -2.309 173.386 175.800 -0.175 0.000 1.136 279 F CA -1.494 56.443 58.000 -0.104 0.000 0.952 279 F CB 2.000 40.955 39.000 -0.075 0.000 1.268 279 F HN 0.132 nan 8.300 nan 0.000 0.441 280 P HA 0.076 nan 4.420 nan 0.000 0.255 280 P C -0.840 176.115 177.300 -0.575 0.000 1.301 280 P CA 0.909 63.167 63.100 -1.404 0.000 0.817 280 P CB 0.386 31.452 31.700 -1.058 0.000 1.259 281 D N -0.539 119.625 120.400 -0.394 0.000 2.661 281 D HA 0.182 4.822 4.640 -0.000 0.000 0.228 281 D C -2.350 173.866 176.300 -0.141 0.000 1.210 281 D CA -2.060 51.825 54.000 -0.192 0.000 0.826 281 D CB 2.640 43.316 40.800 -0.206 0.000 1.542 281 D HN -0.360 nan 8.370 nan 0.000 0.447 282 P HA -0.115 nan 4.420 nan 0.000 0.218 282 P C 1.096 178.363 177.300 -0.055 0.000 1.146 282 P CA 1.699 64.782 63.100 -0.028 0.000 0.820 282 P CB 0.072 31.773 31.700 0.002 0.000 0.778 283 T N -4.831 109.675 114.554 -0.080 0.000 3.144 283 T HA 0.255 4.605 4.350 -0.000 0.000 0.249 283 T C 0.395 174.972 174.700 -0.205 0.000 1.089 283 T CA 0.052 62.091 62.100 -0.102 0.000 0.989 283 T CB -0.565 68.280 68.868 -0.038 0.000 0.992 283 T HN -0.072 nan 8.240 nan 0.000 0.540 284 L N 0.239 121.316 121.223 -0.244 0.000 2.350 284 L HA 0.691 5.031 4.340 -0.000 0.000 0.260 284 L C -0.856 175.896 176.870 -0.196 0.000 1.015 284 L CA -1.520 53.144 54.840 -0.292 0.000 0.821 284 L CB 2.478 44.264 42.059 -0.456 0.000 1.370 284 L HN 0.039 nan 8.230 nan 0.000 0.416 285 I N 1.231 121.685 120.570 -0.195 0.000 2.498 285 I HA 0.337 4.506 4.170 -0.000 0.000 0.290 285 I C -0.759 175.199 176.117 -0.266 0.000 1.032 285 I CA -0.418 60.745 61.300 -0.228 0.000 1.073 285 I CB 2.275 40.102 38.000 -0.288 0.000 1.251 285 I HN 0.584 nan 8.210 nan 0.000 0.426 286 Q N 5.280 124.948 119.800 -0.219 0.000 2.333 286 Q HA 0.444 4.784 4.340 -0.000 0.000 0.265 286 Q C -1.903 173.985 176.000 -0.186 0.000 0.989 286 Q CA -0.593 55.157 55.803 -0.089 0.000 0.842 286 Q CB 1.408 30.229 28.738 0.139 0.000 1.262 286 Q HN 0.465 nan 8.270 nan 0.000 0.451 287 Y N 1.642 122.060 120.300 0.197 0.000 2.387 287 Y HA 0.416 4.966 4.550 -0.000 0.000 0.336 287 Y C -0.206 175.792 175.900 0.163 0.000 1.067 287 Y CA -0.658 57.547 58.100 0.176 0.000 1.114 287 Y CB 1.775 40.438 38.460 0.339 0.000 1.208 287 Y HN 0.514 nan 8.280 nan 0.000 0.458 288 E N 2.742 123.028 120.200 0.144 0.000 2.272 288 E HA 0.493 4.843 4.350 -0.000 0.000 0.269 288 E C -1.705 174.713 176.600 -0.303 0.000 0.877 288 E CA -0.761 55.675 56.400 0.060 0.000 0.755 288 E CB 2.137 31.918 29.700 0.135 0.000 1.192 288 E HN 0.345 nan 8.360 nan 0.000 0.422 289 F N 0.946 120.789 119.950 -0.179 0.000 2.561 289 F HA 0.427 4.954 4.527 -0.000 0.000 0.321 289 F C -0.520 175.160 175.800 -0.199 0.000 1.065 289 F CA -0.798 57.128 58.000 -0.123 0.000 0.934 289 F CB 1.103 40.053 39.000 -0.084 0.000 1.215 289 F HN 0.377 nan 8.300 nan 0.000 0.471 290 Y N 1.115 121.754 120.300 0.565 0.000 2.535 290 Y HA 0.440 4.990 4.550 -0.000 0.000 0.351 290 Y C -0.669 175.491 175.900 0.433 0.000 1.050 290 Y CA -1.083 57.334 58.100 0.528 0.000 1.168 290 Y CB 0.464 39.070 38.460 0.245 0.000 1.116 290 Y HN 0.176 nan 8.280 nan 0.000 0.654 291 V N 3.442 123.647 119.914 0.486 0.000 2.479 291 V HA 0.167 4.286 4.120 -0.000 0.000 0.281 291 V C -2.102 174.079 176.094 0.146 0.000 1.031 291 V CA -1.926 60.480 62.300 0.176 0.000 1.038 291 V CB 0.542 32.439 31.823 0.122 0.000 0.981 291 V HN 0.314 nan 8.190 nan 0.000 0.478 292 P HA 0.197 nan 4.420 nan 0.000 0.266 292 P C 0.513 177.810 177.300 -0.005 0.000 1.195 292 P CA 0.319 63.402 63.100 -0.029 0.000 0.768 292 P CB 0.817 32.303 31.700 -0.357 0.000 0.838 293 I N 0.138 120.757 120.570 0.082 0.000 3.136 293 I HA 0.031 4.201 4.170 -0.000 0.000 0.262 293 I C 1.144 177.281 176.117 0.034 0.000 1.132 293 I CA 0.742 62.071 61.300 0.049 0.000 1.450 293 I CB 0.152 38.197 38.000 0.075 0.000 1.315 293 I HN 0.415 nan 8.210 nan 0.000 0.460 294 S N -0.581 115.162 115.700 0.072 0.000 2.851 294 S HA 0.345 4.815 4.470 -0.000 0.000 0.313 294 S C 0.221 174.883 174.600 0.103 0.000 1.163 294 S CA -0.586 57.653 58.200 0.064 0.000 0.850 294 S CB 1.514 64.751 63.200 0.061 0.000 1.245 294 S HN 0.003 nan 8.310 nan 0.000 0.558 295 E N 1.037 121.293 120.200 0.094 0.000 2.268 295 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 295 E C 1.434 178.124 176.600 0.149 0.000 0.995 295 E CA 1.661 58.132 56.400 0.119 0.000 0.836 295 E CB -0.252 29.501 29.700 0.088 0.000 0.763 295 E HN 0.813 nan 8.360 nan 0.000 0.491 296 T N -3.258 111.378 114.554 0.137 0.000 3.084 296 T HA 0.279 4.628 4.350 -0.000 0.000 0.270 296 T C 0.294 175.094 174.700 0.167 0.000 1.008 296 T CA -0.502 61.685 62.100 0.146 0.000 0.900 296 T CB 0.242 69.176 68.868 0.109 0.000 1.084 296 T HN -0.112 nan 8.240 nan 0.000 0.538 297 Q N 1.210 121.123 119.800 0.188 0.000 2.456 297 Q HA 0.518 4.858 4.340 -0.000 0.000 0.284 297 Q C -1.189 174.980 176.000 0.281 0.000 1.061 297 Q CA -1.136 54.777 55.803 0.183 0.000 0.799 297 Q CB 2.165 30.964 28.738 0.102 0.000 1.445 297 Q HN 0.634 nan 8.270 nan 0.000 0.411 298 H N -0.913 118.268 119.070 0.186 0.000 3.016 298 H HA 0.496 5.052 4.556 -0.000 0.000 0.362 298 H C -1.458 174.009 175.328 0.233 0.000 1.233 298 H CA -0.933 55.255 56.048 0.233 0.000 1.124 298 H CB 1.966 31.939 29.762 0.352 0.000 1.850 298 H HN 0.582 nan 8.280 nan 0.000 0.549 299 E N 1.686 122.087 120.200 0.335 0.000 2.081 299 E HA 0.155 4.505 4.350 -0.000 0.000 0.281 299 E C -1.610 175.266 176.600 0.459 0.000 0.986 299 E CA -0.646 55.898 56.400 0.240 0.000 0.796 299 E CB 0.189 30.025 29.700 0.228 0.000 1.085 299 E HN 0.416 nan 8.360 nan 0.000 0.398 300 Y N 6.247 126.638 120.300 0.152 0.000 2.425 300 Y HA 0.358 4.908 4.550 -0.000 0.000 0.347 300 Y C -1.489 174.474 175.900 0.106 0.000 0.976 300 Y CA -1.269 56.969 58.100 0.229 0.000 1.190 300 Y CB -0.087 38.489 38.460 0.194 0.000 1.136 300 Y HN 0.380 nan 8.280 nan 0.000 0.517 301 F N 4.315 124.277 119.950 0.020 0.000 2.421 301 F HA 0.492 5.019 4.527 -0.000 0.000 0.337 301 F C -0.172 175.559 175.800 -0.115 0.000 1.105 301 F CA -0.544 57.434 58.000 -0.036 0.000 1.049 301 F CB 1.589 40.610 39.000 0.034 0.000 1.139 301 F HN 0.356 nan 8.300 nan 0.000 0.479 302 Q N 2.687 122.527 119.800 0.067 0.000 2.320 302 Q HA 0.605 4.945 4.340 -0.000 0.000 0.268 302 Q C -1.485 174.689 176.000 0.290 0.000 1.023 302 Q CA -0.664 55.184 55.803 0.075 0.000 0.744 302 Q CB 2.641 31.291 28.738 -0.148 0.000 1.246 302 Q HN 0.403 nan 8.270 nan 0.000 0.462 303 V N 3.942 124.100 119.914 0.407 0.000 2.487 303 V HA 0.465 4.585 4.120 -0.000 0.000 0.298 303 V C -0.389 175.912 176.094 0.345 0.000 1.028 303 V CA -0.744 61.806 62.300 0.417 0.000 0.860 303 V CB 1.536 33.708 31.823 0.581 0.000 0.991 303 V HN 0.664 nan 8.190 nan 0.000 0.427 304 L N 4.347 125.719 121.223 0.248 0.000 2.295 304 L HA 0.596 4.936 4.340 -0.000 0.000 0.285 304 L C -0.067 176.945 176.870 0.236 0.000 1.035 304 L CA -0.231 54.743 54.840 0.222 0.000 0.806 304 L CB 1.609 43.835 42.059 0.279 0.000 1.214 304 L HN 0.692 nan 8.230 nan 0.000 0.426 305 Q N 3.498 123.342 119.800 0.074 0.000 2.322 305 Q HA 0.500 4.840 4.340 -0.000 0.000 0.265 305 Q C -1.031 174.798 176.000 -0.285 0.000 0.985 305 Q CA -0.903 54.878 55.803 -0.036 0.000 0.849 305 Q CB 2.068 30.852 28.738 0.076 0.000 1.274 305 Q HN 0.490 nan 8.270 nan 0.000 0.449 306 R N 2.808 123.005 120.500 -0.505 0.000 2.561 306 R HA 0.341 4.681 4.340 -0.000 0.000 0.297 306 R C -1.595 174.507 176.300 -0.330 0.000 0.969 306 R CA -0.614 55.100 56.100 -0.642 0.000 0.879 306 R CB 1.326 30.748 30.300 -1.465 0.000 1.178 306 R HN 0.522 nan 8.270 nan 0.000 0.445 307 K N 3.504 123.773 120.400 -0.217 0.000 2.368 307 K HA 0.339 4.659 4.320 -0.000 0.000 0.282 307 K C -0.645 175.898 176.600 -0.096 0.000 1.035 307 K CA -0.334 55.882 56.287 -0.119 0.000 0.973 307 K CB 0.546 32.994 32.500 -0.086 0.000 0.957 307 K HN 0.512 nan 8.250 nan 0.000 0.474 308 V N 1.043 120.927 119.914 -0.050 0.000 2.962 308 V HA 0.422 4.542 4.120 -0.000 0.000 0.313 308 V C -0.327 175.760 176.094 -0.012 0.000 1.099 308 V CA -0.710 61.576 62.300 -0.024 0.000 0.971 308 V CB 1.906 33.730 31.823 0.002 0.000 1.028 308 V HN 0.790 nan 8.190 nan 0.000 0.430 309 E N 2.103 122.299 120.200 -0.007 0.000 2.431 309 E HA 0.555 4.905 4.350 -0.000 0.000 0.200 309 E C 0.732 177.331 176.600 -0.002 0.000 0.995 309 E CA 1.091 57.489 56.400 -0.005 0.000 0.915 309 E CB 1.000 30.698 29.700 -0.003 0.000 0.930 309 E HN 1.206 nan 8.360 nan 0.000 0.496 310 G N -0.650 108.149 108.800 -0.002 0.000 2.489 310 G HA2 0.213 4.173 3.960 -0.000 0.000 0.305 310 G HA3 0.213 4.173 3.960 -0.000 0.000 0.305 310 G C -2.269 172.625 174.900 -0.011 0.000 1.311 310 G CA -0.861 44.237 45.100 -0.004 0.000 0.813 310 G HN -0.285 nan 8.290 nan 0.000 0.480 311 P HA -0.004 nan 4.420 nan 0.000 0.219 311 P C 1.355 178.642 177.300 -0.021 0.000 1.146 311 P CA 1.243 64.328 63.100 -0.025 0.000 0.808 311 P CB 0.441 32.131 31.700 -0.016 0.000 0.779 312 E N -0.183 120.013 120.200 -0.007 0.000 2.107 312 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 312 E C 1.578 178.188 176.600 0.016 0.000 0.982 312 E CA 1.214 57.616 56.400 0.003 0.000 0.809 312 E CB -0.856 28.848 29.700 0.007 0.000 0.756 312 E HN 0.137 nan 8.360 nan 0.000 0.459 313 D N -0.438 119.972 120.400 0.016 0.000 2.144 313 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 313 D C 1.982 178.320 176.300 0.064 0.000 0.978 313 D CA 1.019 55.041 54.000 0.037 0.000 0.833 313 D CB -0.083 40.728 40.800 0.019 0.000 0.961 313 D HN 0.102 nan 8.370 nan 0.000 0.470 314 V N 2.127 122.043 119.914 0.004 0.000 2.233 314 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 314 V C 2.573 178.667 176.094 -0.000 0.000 1.050 314 V CA 1.674 63.935 62.300 -0.064 0.000 1.010 314 V CB -0.579 31.086 31.823 -0.262 0.000 0.637 314 V HN 0.178 nan 8.190 nan 0.000 0.444 315 K N 0.290 120.681 120.400 -0.015 0.000 2.074 315 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 315 K C 2.015 178.650 176.600 0.058 0.000 1.048 315 K CA 2.589 58.880 56.287 0.007 0.000 0.926 315 K CB -0.886 31.615 32.500 0.001 0.000 0.713 315 K HN 0.544 nan 8.250 nan 0.000 0.444 316 T N 1.235 115.843 114.554 0.090 0.000 2.746 316 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 316 T C 1.487 176.331 174.700 0.240 0.000 1.039 316 T CA 1.351 63.528 62.100 0.127 0.000 1.142 316 T CB -0.383 68.555 68.868 0.118 0.000 0.866 316 T HN 0.279 nan 8.240 nan 0.000 0.444 317 F N 2.325 122.336 119.950 0.102 0.000 2.113 317 F HA 0.003 4.530 4.527 -0.000 0.000 0.297 317 F C 2.133 178.070 175.800 0.228 0.000 1.103 317 F CA 1.011 59.130 58.000 0.198 0.000 1.248 317 F CB -0.593 38.500 39.000 0.154 0.000 0.999 317 F HN 0.217 nan 8.300 nan 0.000 0.475 318 E N -0.309 119.900 120.200 0.016 0.000 2.110 318 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 318 E C 2.350 178.972 176.600 0.036 0.000 0.988 318 E CA 1.492 57.842 56.400 -0.084 0.000 0.804 318 E CB -0.392 29.280 29.700 -0.046 0.000 0.745 318 E HN 0.311 nan 8.360 nan 0.000 0.458 319 V N 1.648 121.594 119.914 0.053 0.000 2.323 319 V HA -0.221 3.899 4.120 -0.000 0.000 0.244 319 V C 2.051 178.143 176.094 -0.002 0.000 1.041 319 V CA 1.799 64.115 62.300 0.027 0.000 1.025 319 V CB -0.422 31.412 31.823 0.018 0.000 0.656 319 V HN 0.217 nan 8.190 nan 0.000 0.451 320 E N -0.498 119.715 120.200 0.022 0.000 2.110 320 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 320 E C 2.052 178.518 176.600 -0.224 0.000 0.988 320 E CA 1.535 57.827 56.400 -0.180 0.000 0.804 320 E CB -0.258 29.370 29.700 -0.120 0.000 0.745 320 E HN 0.584 nan 8.360 nan 0.000 0.458 321 F N 2.281 122.202 119.950 -0.049 0.000 2.069 321 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 321 F C 2.410 178.171 175.800 -0.065 0.000 1.113 321 F CA 2.067 60.078 58.000 0.018 0.000 1.214 321 F CB -0.136 38.732 39.000 -0.221 0.000 0.978 321 F HN -0.101 nan 8.300 nan 0.000 0.474 322 E N 0.356 120.550 120.200 -0.010 0.000 2.110 322 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 322 E C 1.882 178.395 176.600 -0.145 0.000 0.988 322 E CA 2.012 58.359 56.400 -0.089 0.000 0.804 322 E CB -0.311 29.392 29.700 0.005 0.000 0.745 322 E HN 0.649 nan 8.360 nan 0.000 0.458 323 E N -0.973 119.140 120.200 -0.146 0.000 2.340 323 E HA 0.082 4.431 4.350 -0.000 0.000 0.194 323 E C 1.927 178.412 176.600 -0.192 0.000 0.996 323 E CA 0.239 56.550 56.400 -0.148 0.000 0.869 323 E CB 0.476 30.100 29.700 -0.127 0.000 0.835 323 E HN 0.078 nan 8.360 nan 0.000 0.493 324 R N -0.532 119.794 120.500 -0.289 0.000 3.749 324 R HA 0.061 4.401 4.340 -0.000 0.000 0.142 324 R C 1.309 177.463 176.300 -0.243 0.000 0.750 324 R CA 0.025 55.943 56.100 -0.304 0.000 1.004 324 R CB -0.372 29.627 30.300 -0.501 0.000 1.509 324 R HN 0.054 nan 8.270 nan 0.000 0.494 325 W N 2.033 123.227 121.300 -0.177 0.000 2.298 325 W HA -0.216 4.444 4.660 -0.000 0.000 0.328 325 W C 2.442 178.663 176.519 -0.497 0.000 1.259 325 W CA 1.083 58.248 57.345 -0.300 0.000 1.251 325 W CB -0.378 29.044 29.460 -0.064 0.000 1.161 325 W HN 0.197 nan 8.180 nan 0.000 0.466 326 R N 0.818 121.004 120.500 -0.525 0.000 2.103 326 R HA -0.213 4.127 4.340 -0.000 0.000 0.234 326 R C 1.609 177.746 176.300 -0.271 0.000 1.132 326 R CA 2.578 58.287 56.100 -0.650 0.000 0.925 326 R CB -0.837 28.849 30.300 -1.024 0.000 0.842 326 R HN 0.149 nan 8.270 nan 0.000 0.430 327 D N 0.067 120.365 120.400 -0.170 0.000 2.162 327 D HA -0.084 4.556 4.640 -0.000 0.000 0.203 327 D C 1.484 177.773 176.300 -0.018 0.000 0.967 327 D CA 0.924 54.921 54.000 -0.005 0.000 0.840 327 D CB -0.303 40.478 40.800 -0.032 0.000 0.972 327 D HN 0.295 nan 8.370 nan 0.000 0.482 328 D N 0.127 120.466 120.400 -0.102 0.000 2.234 328 D HA 0.036 4.676 4.640 -0.000 0.000 0.205 328 D C 1.675 177.768 176.300 -0.345 0.000 0.962 328 D CA 0.744 54.704 54.000 -0.066 0.000 0.855 328 D CB 0.314 41.176 40.800 0.104 0.000 0.951 328 D HN 0.159 nan 8.370 nan 0.000 0.500 329 A N 0.106 122.550 122.820 -0.627 0.000 2.042 329 A HA 0.172 4.491 4.320 -0.000 0.000 0.207 329 A C 2.098 179.519 177.584 -0.271 0.000 1.598 329 A CA -0.172 51.369 52.037 -0.827 0.000 0.818 329 A CB -0.553 17.688 19.000 -1.266 0.000 1.169 329 A HN 0.052 nan 8.150 nan 0.000 0.548 330 L N -0.409 120.670 121.223 -0.241 0.000 2.187 330 L HA -0.200 4.140 4.340 -0.000 0.000 0.213 330 L C 2.418 179.155 176.870 -0.222 0.000 1.100 330 L CA 1.306 56.033 54.840 -0.189 0.000 0.765 330 L CB -0.600 41.293 42.059 -0.277 0.000 0.904 330 L HN 0.509 nan 8.230 nan 0.000 0.437 331 H N -1.372 117.689 119.070 -0.016 0.000 2.393 331 H HA 0.130 4.686 4.556 -0.000 0.000 0.301 331 H C 2.196 177.563 175.328 0.065 0.000 1.019 331 H CA 0.988 57.057 56.048 0.036 0.000 1.311 331 H CB -0.296 29.467 29.762 0.002 0.000 1.475 331 H HN 0.183 nan 8.280 nan 0.000 0.572 332 G N 0.008 108.907 108.800 0.165 0.000 2.462 332 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 332 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 332 G C 1.458 176.488 174.900 0.215 0.000 1.121 332 G CA 0.809 46.012 45.100 0.171 0.000 0.758 332 G HN 0.308 nan 8.290 nan 0.000 0.559 333 F N 0.597 120.551 119.950 0.007 0.000 2.390 333 F HA 0.270 4.797 4.527 -0.000 0.000 0.281 333 F C 2.213 178.040 175.800 0.044 0.000 1.016 333 F CA 0.632 58.642 58.000 0.017 0.000 1.286 333 F CB -0.003 38.944 39.000 -0.089 0.000 1.134 333 F HN 0.090 nan 8.300 nan 0.000 0.597 334 N N 0.238 119.062 118.700 0.206 0.000 2.494 334 N HA -0.122 4.618 4.740 -0.000 0.000 0.182 334 N C 0.927 176.562 175.510 0.209 0.000 1.076 334 N CA 0.688 53.865 53.050 0.212 0.000 0.908 334 N CB -0.062 38.649 38.487 0.374 0.000 0.967 334 N HN 0.180 nan 8.380 nan 0.000 0.449 335 D N 1.238 121.763 120.400 0.208 0.000 2.158 335 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 335 D C 1.174 177.581 176.300 0.178 0.000 0.995 335 D CA 1.090 55.238 54.000 0.246 0.000 0.846 335 D CB -0.199 40.768 40.800 0.279 0.000 0.941 335 D HN 0.249 nan 8.370 nan 0.000 0.456 336 D N 0.575 121.040 120.400 0.110 0.000 2.218 336 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 336 D C 1.426 177.373 176.300 -0.588 0.000 0.976 336 D CA 0.617 54.506 54.000 -0.186 0.000 0.853 336 D CB -0.161 40.590 40.800 -0.081 0.000 0.939 336 D HN 0.247 nan 8.370 nan 0.000 0.481 337 D N 0.160 120.462 120.400 -0.163 0.000 2.218 337 D HA -0.095 4.545 4.640 -0.000 0.000 0.204 337 D C 2.215 178.383 176.300 -0.220 0.000 0.976 337 D CA 0.273 54.170 54.000 -0.172 0.000 0.853 337 D CB 0.209 41.029 40.800 0.033 0.000 0.939 337 D HN 0.102 nan 8.370 nan 0.000 0.481 338 V N 1.710 121.555 119.914 -0.114 0.000 2.261 338 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 338 V C 2.420 178.541 176.094 0.045 0.000 1.047 338 V CA 1.682 63.983 62.300 0.000 0.000 1.015 338 V CB -0.760 31.145 31.823 0.137 0.000 0.642 338 V HN 0.443 nan 8.190 nan 0.000 0.446 339 W N 0.603 121.938 121.300 0.058 0.000 2.595 339 W HA 0.144 4.804 4.660 -0.000 0.000 0.257 339 W C 2.129 178.670 176.519 0.037 0.000 1.267 339 W CA 0.792 58.164 57.345 0.045 0.000 1.300 339 W CB -0.932 28.552 29.460 0.039 0.000 1.120 339 W HN 0.264 nan 8.180 nan 0.000 0.618 340 A N 2.139 124.720 122.820 -0.399 0.000 1.898 340 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 340 A C 2.247 179.775 177.584 -0.093 0.000 1.181 340 A CA 1.606 53.428 52.037 -0.357 0.000 0.620 340 A CB -0.705 17.955 19.000 -0.566 0.000 0.819 340 A HN 0.297 nan 8.150 nan 0.000 0.442 341 R N -0.202 120.252 120.500 -0.076 0.000 2.062 341 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 341 R C 2.016 178.360 176.300 0.073 0.000 1.128 341 R CA 1.474 57.569 56.100 -0.008 0.000 0.960 341 R CB -0.337 29.982 30.300 0.031 0.000 0.855 341 R HN 0.653 nan 8.270 nan 0.000 0.432 342 E N 0.753 121.021 120.200 0.113 0.000 2.204 342 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 342 E C 1.787 178.476 176.600 0.148 0.000 0.990 342 E CA 0.947 57.430 56.400 0.139 0.000 0.821 342 E CB -0.041 29.752 29.700 0.155 0.000 0.750 342 E HN 0.350 nan 8.360 nan 0.000 0.477 343 A N 0.889 123.811 122.820 0.170 0.000 2.168 343 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 343 A C 1.816 179.482 177.584 0.136 0.000 1.152 343 A CA 0.854 52.991 52.037 0.167 0.000 0.716 343 A CB -0.051 19.085 19.000 0.228 0.000 0.794 343 A HN 0.159 nan 8.150 nan 0.000 0.465 344 Q N -1.623 118.262 119.800 0.142 0.000 2.352 344 Q HA -0.018 4.322 4.340 -0.000 0.000 0.212 344 Q C 1.890 178.036 176.000 0.244 0.000 0.888 344 Q CA 0.417 56.347 55.803 0.212 0.000 0.934 344 Q CB 0.147 29.005 28.738 0.200 0.000 1.093 344 Q HN 0.615 nan 8.270 nan 0.000 0.523 345 Q N 2.031 121.931 119.800 0.166 0.000 2.045 345 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 345 Q C 1.756 177.839 176.000 0.139 0.000 0.991 345 Q CA 2.213 58.104 55.803 0.147 0.000 0.851 345 Q CB -0.078 28.736 28.738 0.126 0.000 0.911 345 Q HN 0.346 nan 8.270 nan 0.000 0.418 346 E N -0.746 119.532 120.200 0.130 0.000 2.038 346 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 346 E C 1.706 178.372 176.600 0.111 0.000 1.000 346 E CA 1.649 58.114 56.400 0.108 0.000 0.803 346 E CB -0.820 28.940 29.700 0.100 0.000 0.750 346 E HN 0.424 nan 8.360 nan 0.000 0.448 347 F N -0.274 119.643 119.950 -0.054 0.000 2.069 347 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 347 F C 1.823 177.449 175.800 -0.291 0.000 1.113 347 F CA 1.798 59.687 58.000 -0.185 0.000 1.214 347 F CB -0.647 38.193 39.000 -0.266 0.000 0.978 347 F HN 0.123 nan 8.300 nan 0.000 0.474 348 Y N -0.413 119.720 120.300 -0.278 0.000 2.286 348 Y HA 0.107 4.657 4.550 -0.000 0.000 0.293 348 Y C 2.665 178.412 175.900 -0.254 0.000 1.124 348 Y CA 1.253 59.013 58.100 -0.567 0.000 1.178 348 Y CB -1.010 37.028 38.460 -0.703 0.000 1.010 348 Y HN 0.094 nan 8.280 nan 0.000 0.536 349 G N -0.859 107.985 108.800 0.073 0.000 2.551 349 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.216 349 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.216 349 G C 1.219 176.158 174.900 0.064 0.000 1.137 349 G CA 0.604 45.771 45.100 0.112 0.000 0.798 349 G HN 0.405 nan 8.290 nan 0.000 0.536 350 E N -0.952 119.257 120.200 0.015 0.000 2.441 350 E HA 0.147 4.497 4.350 -0.000 0.000 0.212 350 E C 1.359 177.940 176.600 -0.032 0.000 0.840 350 E CA -0.300 56.106 56.400 0.009 0.000 1.143 350 E CB 0.576 30.294 29.700 0.028 0.000 1.153 350 E HN 0.001 nan 8.360 nan 0.000 0.539 351 R N 1.416 121.852 120.500 -0.107 0.000 2.552 351 R HA 0.084 4.424 4.340 -0.000 0.000 0.314 351 R C -0.526 175.599 176.300 -0.292 0.000 1.041 351 R CA 0.025 56.035 56.100 -0.151 0.000 1.076 351 R CB -0.085 30.169 30.300 -0.078 0.000 1.290 351 R HN 0.076 nan 8.270 nan 0.000 0.563 352 D N 0.100 120.349 120.400 -0.251 0.000 2.699 352 D HA -0.144 4.495 4.640 -0.000 0.000 0.239 352 D C 1.154 177.152 176.300 -0.503 0.000 1.136 352 D CA 1.017 54.889 54.000 -0.214 0.000 0.668 352 D CB -0.999 39.744 40.800 -0.094 0.000 1.060 352 D HN 0.438 nan 8.370 nan 0.000 0.429 353 G N -0.914 107.243 108.800 -1.072 0.000 2.470 353 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 353 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 353 G C 1.335 175.700 174.900 -0.891 0.000 1.121 353 G CA 0.784 44.733 45.100 -1.918 0.000 0.766 353 G HN 0.553 nan 8.290 nan 0.000 0.553 354 W N 1.409 122.637 121.300 -0.120 0.000 2.392 354 W HA -0.020 4.640 4.660 -0.000 0.000 0.279 354 W C 2.711 179.320 176.519 0.150 0.000 1.225 354 W CA 1.178 58.651 57.345 0.213 0.000 1.233 354 W CB 0.114 29.719 29.460 0.241 0.000 1.122 354 W HN 0.299 nan 8.180 nan 0.000 0.561 355 S N -1.540 114.264 115.700 0.173 0.000 2.540 355 S HA 0.181 4.651 4.470 -0.000 0.000 0.222 355 S C 1.245 175.881 174.600 0.059 0.000 1.008 355 S CA -0.270 58.005 58.200 0.125 0.000 0.939 355 S CB 0.046 63.295 63.200 0.081 0.000 0.865 355 S HN 0.200 nan 8.310 nan 0.000 0.499 356 K N 1.625 122.006 120.400 -0.032 0.000 2.354 356 K HA 0.126 4.446 4.320 -0.000 0.000 0.194 356 K C 0.470 177.181 176.600 0.185 0.000 1.045 356 K CA 0.107 56.420 56.287 0.044 0.000 1.026 356 K CB 0.235 32.737 32.500 0.004 0.000 0.866 356 K HN 0.710 nan 8.250 nan 0.000 0.530 357 E N 1.832 122.141 120.200 0.182 0.000 2.438 357 E HA -0.070 4.280 4.350 -0.000 0.000 0.261 357 E C -0.645 176.067 176.600 0.187 0.000 1.103 357 E CA 0.294 56.846 56.400 0.253 0.000 0.959 357 E CB 0.336 30.213 29.700 0.294 0.000 0.958 357 E HN 0.001 nan 8.360 nan 0.000 0.447 358 Q N 2.174 122.061 119.800 0.144 0.000 2.490 358 Q HA 0.313 4.653 4.340 -0.000 0.000 0.255 358 Q C -0.725 175.360 176.000 0.142 0.000 0.997 358 Q CA -0.323 55.552 55.803 0.119 0.000 0.709 358 Q CB 1.297 30.070 28.738 0.058 0.000 1.255 358 Q HN 0.487 nan 8.270 nan 0.000 0.486 359 L N 2.399 123.742 121.223 0.200 0.000 2.456 359 L HA 0.529 4.869 4.340 -0.000 0.000 0.257 359 L C -0.046 177.021 176.870 0.329 0.000 1.162 359 L CA -0.644 54.358 54.840 0.270 0.000 0.808 359 L CB 0.122 42.323 42.059 0.238 0.000 1.136 359 L HN 0.446 nan 8.230 nan 0.000 0.466 360 F N -1.225 118.748 119.950 0.038 0.000 2.640 360 F HA 0.593 5.120 4.527 -0.000 0.000 0.324 360 F C -2.323 173.488 175.800 0.018 0.000 1.077 360 F CA -2.909 55.103 58.000 0.021 0.000 0.965 360 F CB -0.276 38.726 39.000 0.003 0.000 1.351 360 F HN 0.135 nan 8.300 nan 0.000 0.487 361 P HA -0.182 nan 4.420 nan 0.000 0.222 361 P C -1.558 175.519 177.300 -0.371 0.000 1.157 361 P CA 3.013 65.977 63.100 -0.227 0.000 0.905 361 P CB -1.126 30.483 31.700 -0.153 0.000 0.792 362 P HA -0.111 nan 4.420 nan 0.000 0.220 362 P C 0.815 177.916 177.300 -0.330 0.000 1.148 362 P CA 1.313 64.119 63.100 -0.489 0.000 0.803 362 P CB -0.436 30.885 31.700 -0.633 0.000 0.782 363 D N -1.456 118.748 120.400 -0.328 0.000 2.371 363 D HA -0.073 4.567 4.640 -0.000 0.000 0.221 363 D C 1.600 177.851 176.300 -0.081 0.000 0.986 363 D CA 0.531 54.457 54.000 -0.123 0.000 0.899 363 D CB -0.350 40.461 40.800 0.018 0.000 0.902 363 D HN 0.104 nan 8.370 nan 0.000 0.530 364 M N 1.143 120.687 119.600 -0.093 0.000 2.202 364 M HA -0.173 4.307 4.480 -0.000 0.000 0.262 364 M C 2.225 178.512 176.300 -0.022 0.000 1.063 364 M CA 1.156 56.430 55.300 -0.045 0.000 1.097 364 M CB -0.599 31.969 32.600 -0.054 0.000 1.382 364 M HN 0.298 nan 8.290 nan 0.000 0.413 365 C N -1.675 117.595 119.300 -0.051 0.000 2.435 365 C HA -0.005 4.455 4.460 -0.000 0.000 0.279 365 C C 2.466 177.569 174.990 0.187 0.000 1.321 365 C CA 0.277 59.306 59.018 0.019 0.000 1.752 365 C CB -1.648 25.945 27.740 -0.244 0.000 1.959 365 C HN 0.584 nan 8.230 nan 0.000 0.500 366 I N 1.341 121.946 120.570 0.058 0.000 2.315 366 I HA -0.123 4.047 4.170 -0.000 0.000 0.248 366 I C 2.797 178.920 176.117 0.010 0.000 1.117 366 I CA 1.230 62.623 61.300 0.155 0.000 1.404 366 I CB -0.298 37.730 38.000 0.047 0.000 1.071 366 I HN 0.201 nan 8.210 nan 0.000 0.419 367 V N 1.041 120.898 119.914 -0.096 0.000 2.343 367 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 367 V C 2.396 178.377 176.094 -0.189 0.000 1.051 367 V CA 1.858 64.005 62.300 -0.255 0.000 1.036 367 V CB -0.655 31.127 31.823 -0.068 0.000 0.654 367 V HN 0.395 nan 8.190 nan 0.000 0.451 368 K N -0.635 119.746 120.400 -0.033 0.000 2.097 368 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 368 K C 2.074 178.645 176.600 -0.050 0.000 1.049 368 K CA 1.889 58.168 56.287 -0.013 0.000 0.933 368 K CB -0.319 32.207 32.500 0.043 0.000 0.717 368 K HN 0.757 nan 8.250 nan 0.000 0.442 369 W N 2.705 123.907 121.300 -0.163 0.000 2.379 369 W HA -0.179 4.481 4.660 -0.000 0.000 0.307 369 W C 1.406 177.691 176.519 -0.389 0.000 1.200 369 W CA 1.156 58.353 57.345 -0.247 0.000 1.297 369 W CB -0.168 29.156 29.460 -0.227 0.000 1.140 369 W HN -0.038 nan 8.180 nan 0.000 0.507 370 R N 0.110 119.986 120.500 -1.040 0.000 2.096 370 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 370 R C 2.232 178.045 176.300 -0.812 0.000 1.127 370 R CA 2.175 57.327 56.100 -1.580 0.000 0.968 370 R CB -1.114 28.110 30.300 -1.793 0.000 0.861 370 R HN 0.132 nan 8.270 nan 0.000 0.440 371 T N 2.053 116.362 114.554 -0.408 0.000 2.777 371 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 371 T C 1.814 176.415 174.700 -0.165 0.000 1.040 371 T CA 1.029 63.076 62.100 -0.089 0.000 1.141 371 T CB -0.185 68.698 68.868 0.025 0.000 0.868 371 T HN 0.095 nan 8.240 nan 0.000 0.444 372 L N 1.387 122.459 121.223 -0.252 0.000 2.056 372 L HA 0.155 4.495 4.340 -0.000 0.000 0.207 372 L C 2.565 179.253 176.870 -0.303 0.000 1.078 372 L CA 1.816 56.523 54.840 -0.222 0.000 0.749 372 L CB -0.952 41.003 42.059 -0.174 0.000 0.901 372 L HN 0.197 nan 8.230 nan 0.000 0.433 373 A N -1.478 121.001 122.820 -0.568 0.000 1.898 373 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 373 A C 2.514 179.934 177.584 -0.275 0.000 1.181 373 A CA 1.812 53.487 52.037 -0.603 0.000 0.620 373 A CB -1.166 17.221 19.000 -1.022 0.000 0.819 373 A HN 0.526 nan 8.150 nan 0.000 0.442 374 S N -0.853 114.784 115.700 -0.106 0.000 2.370 374 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 374 S C 1.982 176.601 174.600 0.031 0.000 1.033 374 S CA 1.654 59.916 58.200 0.103 0.000 1.011 374 S CB -0.308 62.987 63.200 0.158 0.000 0.852 374 S HN 0.560 nan 8.310 nan 0.000 0.457 375 E N 0.427 120.604 120.200 -0.038 0.000 2.076 375 E HA 0.076 4.426 4.350 -0.000 0.000 0.190 375 E C 1.994 178.572 176.600 -0.038 0.000 0.979 375 E CA 0.694 57.075 56.400 -0.030 0.000 0.807 375 E CB -0.051 29.621 29.700 -0.047 0.000 0.761 375 E HN 0.327 nan 8.360 nan 0.000 0.454 376 R N 0.089 120.539 120.500 -0.083 0.000 2.365 376 R HA 0.189 4.529 4.340 -0.000 0.000 0.223 376 R C 0.766 177.081 176.300 0.026 0.000 0.899 376 R CA 0.135 56.233 56.100 -0.003 0.000 1.059 376 R CB -0.031 30.258 30.300 -0.019 0.000 1.086 376 R HN -0.024 nan 8.270 nan 0.000 0.522 377 G N 0.942 109.538 108.800 -0.340 0.000 2.353 377 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.239 377 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.239 377 G C 0.633 175.529 174.900 -0.007 0.000 1.295 377 G CA -0.334 44.392 45.100 -0.623 0.000 0.884 377 G HN 0.208 nan 8.290 nan 0.000 0.537 378 R N 1.454 122.097 120.500 0.240 0.000 2.240 378 R HA 0.138 4.477 4.340 -0.000 0.000 0.203 378 R C 1.142 177.498 176.300 0.094 0.000 1.011 378 R CA 0.754 56.880 56.100 0.044 0.000 1.007 378 R CB 0.336 30.470 30.300 -0.278 0.000 0.911 378 R HN 0.564 nan 8.270 nan 0.000 0.468 379 G N -0.284 108.648 108.800 0.219 0.000 2.732 379 G HA2 0.401 4.361 3.960 -0.000 0.000 0.296 379 G HA3 0.401 4.361 3.960 -0.000 0.000 0.296 379 G C -1.609 173.488 174.900 0.328 0.000 1.448 379 G CA -0.538 44.684 45.100 0.204 0.000 0.911 379 G HN -0.100 nan 8.290 nan 0.000 0.528 380 V N 2.351 122.398 119.914 0.222 0.000 2.370 380 V HA 0.524 4.644 4.120 -0.000 0.000 0.283 380 V C -0.240 175.894 176.094 0.067 0.000 1.023 380 V CA -0.942 61.464 62.300 0.178 0.000 0.857 380 V CB 1.483 33.398 31.823 0.154 0.000 0.985 380 V HN 0.607 nan 8.190 nan 0.000 0.443 381 R N 3.640 124.142 120.500 0.003 0.000 2.233 381 R HA 0.646 4.986 4.340 -0.000 0.000 0.334 381 R C 0.174 176.455 176.300 -0.031 0.000 1.037 381 R CA -0.072 56.013 56.100 -0.025 0.000 0.920 381 R CB 1.394 31.651 30.300 -0.071 0.000 1.137 381 R HN 0.823 nan 8.270 nan 0.000 0.492 382 A N 0.000 122.815 122.820 -0.008 0.000 2.254 382 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 382 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 382 A CB 0.000 19.002 19.000 0.004 0.000 0.831 382 A HN 0.000 nan 8.150 nan 0.000 0.486