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_D 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 0.000 174.348 174.600 -0.420 0.000 1.055 16 S CA 0.000 58.078 58.200 -0.204 0.000 1.107 16 S CB 0.000 63.113 63.200 -0.145 0.000 0.593 17 A N 1.780 124.352 122.820 -0.414 0.000 1.897 17 A HA 0.088 4.408 4.320 -0.000 0.000 0.215 17 A C 2.064 179.191 177.584 -0.761 0.000 1.181 17 A CA 1.875 53.438 52.037 -0.790 0.000 0.620 17 A CB -0.792 18.131 19.000 -0.128 0.000 0.821 17 A HN 0.476 nan 8.150 nan 0.000 0.443 18 Q N -0.396 119.202 119.800 -0.338 0.000 2.488 18 Q HA 0.030 4.370 4.340 -0.000 0.000 0.211 18 Q C 1.352 177.221 176.000 -0.218 0.000 0.967 18 Q CA 1.229 56.903 55.803 -0.215 0.000 0.926 18 Q CB -0.177 28.499 28.738 -0.104 0.000 0.992 18 Q HN 0.382 nan 8.270 nan 0.000 0.506 19 V N -0.740 119.000 119.914 -0.291 0.000 2.949 19 V HA 0.019 4.139 4.120 -0.000 0.000 0.245 19 V C 1.578 177.528 176.094 -0.239 0.000 1.086 19 V CA 1.197 63.368 62.300 -0.215 0.000 1.097 19 V CB 0.026 31.742 31.823 -0.178 0.000 0.762 19 V HN 0.202 nan 8.190 nan 0.000 0.470 20 K N -0.380 119.761 120.400 -0.431 0.000 2.242 20 K HA 0.030 4.350 4.320 -0.000 0.000 0.200 20 K C 0.581 177.133 176.600 -0.080 0.000 1.050 20 K CA 0.910 57.013 56.287 -0.307 0.000 0.981 20 K CB 0.233 32.472 32.500 -0.434 0.000 0.795 20 K HN 0.703 nan 8.250 nan 0.000 0.477 21 W N 0.122 121.409 121.300 -0.022 0.000 1.290 21 W HA 0.367 5.027 4.660 -0.000 0.000 0.304 21 W C -2.579 173.946 176.519 0.009 0.000 0.858 21 W CA -1.934 55.394 57.345 -0.028 0.000 1.894 21 W CB -0.164 29.242 29.460 -0.091 0.000 1.934 21 W HN -0.203 nan 8.180 nan 0.000 0.472 22 P HA -0.239 nan 4.420 nan 0.000 0.215 22 P C 1.411 178.767 177.300 0.094 0.000 1.157 22 P CA 2.057 65.178 63.100 0.034 0.000 0.868 22 P CB 0.352 32.050 31.700 -0.004 0.000 0.788 23 R N -1.669 118.919 120.500 0.146 0.000 2.148 23 R HA -0.136 4.204 4.340 -0.000 0.000 0.227 23 R C 2.574 179.033 176.300 0.264 0.000 1.103 23 R CA 1.028 57.245 56.100 0.195 0.000 0.983 23 R CB -0.946 29.489 30.300 0.225 0.000 0.874 23 R HN 0.264 nan 8.270 nan 0.000 0.451 24 Y N 1.160 121.549 120.300 0.148 0.000 2.200 24 Y HA -0.139 4.411 4.550 -0.000 0.000 0.290 24 Y C 2.056 177.846 175.900 -0.184 0.000 1.137 24 Y CA 1.109 59.238 58.100 0.048 0.000 1.163 24 Y CB -0.100 38.327 38.460 -0.055 0.000 0.988 24 Y HN -0.084 nan 8.280 nan 0.000 0.518 25 L N 0.424 121.593 121.223 -0.090 0.000 2.093 25 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 25 L C 2.046 178.753 176.870 -0.271 0.000 1.085 25 L CA 1.971 56.608 54.840 -0.338 0.000 0.755 25 L CB -0.976 40.998 42.059 -0.140 0.000 0.904 25 L HN 0.389 nan 8.230 nan 0.000 0.435 26 E N -0.247 119.882 120.200 -0.119 0.000 2.152 26 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 26 E C 1.344 177.892 176.600 -0.086 0.000 0.983 26 E CA 0.708 57.067 56.400 -0.068 0.000 0.818 26 E CB -0.075 29.626 29.700 0.001 0.000 0.758 26 E HN 0.388 nan 8.360 nan 0.000 0.467 27 A N 1.402 124.133 122.820 -0.148 0.000 2.900 27 A HA 0.017 4.337 4.320 -0.000 0.000 0.246 27 A C 1.311 178.855 177.584 -0.067 0.000 1.725 27 A CA 0.202 52.126 52.037 -0.189 0.000 1.400 27 A CB -0.811 17.860 19.000 -0.548 0.000 0.973 27 A HN 0.075 nan 8.150 nan 0.000 0.635 28 T N 0.026 114.560 114.554 -0.033 0.000 2.759 28 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 28 T C 1.322 176.139 174.700 0.195 0.000 1.042 28 T CA 1.376 63.513 62.100 0.062 0.000 1.140 28 T CB -0.132 68.757 68.868 0.036 0.000 0.864 28 T HN 0.380 nan 8.240 nan 0.000 0.455 29 L N 0.512 121.771 121.223 0.060 0.000 2.653 29 L HA 0.452 4.792 4.340 -0.000 0.000 0.231 29 L C 0.991 177.714 176.870 -0.245 0.000 1.153 29 L CA 0.522 55.346 54.840 -0.026 0.000 0.933 29 L CB -0.962 41.077 42.059 -0.032 0.000 1.175 29 L HN 0.429 nan 8.230 nan 0.000 0.473 30 G N -1.462 107.133 108.800 -0.342 0.000 2.655 30 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.680 30 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.680 30 G C -0.786 173.798 174.900 -0.526 0.000 1.302 30 G CA -0.731 43.831 45.100 -0.897 0.000 0.872 30 G HN -0.090 nan 8.290 nan 0.000 0.540 31 F N 2.388 122.181 119.950 -0.261 0.000 2.404 31 F HA 0.471 4.998 4.527 0.000 0.000 0.354 31 F C 0.852 176.733 175.800 0.135 0.000 1.122 31 F CA -0.545 57.475 58.000 0.033 0.000 1.080 31 F CB 1.450 40.512 39.000 0.103 0.000 1.131 31 F HN 0.661 nan 8.300 nan 0.000 0.471 32 D N 1.364 121.929 120.400 0.275 0.000 2.509 32 D HA 0.224 4.864 4.640 -0.000 0.000 0.268 32 D C -0.041 176.266 176.300 0.012 0.000 1.180 32 D CA -0.602 53.464 54.000 0.110 0.000 1.055 32 D CB 0.539 41.339 40.800 -0.001 0.000 1.126 32 D HN 0.415 nan 8.370 nan 0.000 0.580 33 N N -0.676 117.842 118.700 -0.305 0.000 2.780 33 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 33 N C -1.183 173.940 175.510 -0.646 0.000 1.102 33 N CA 0.597 53.369 53.050 -0.464 0.000 0.697 33 N CB -1.485 36.922 38.487 -0.134 0.000 1.028 33 N HN 0.539 nan 8.380 nan 0.000 0.554 34 H N -1.982 116.642 119.070 -0.743 0.000 2.980 34 H HA 0.275 4.831 4.556 -0.000 0.000 0.367 34 H C -0.316 174.595 175.328 -0.695 0.000 1.206 34 H CA -0.417 55.364 56.048 -0.446 0.000 1.126 34 H CB 0.694 30.284 29.762 -0.285 0.000 1.838 34 H HN 0.023 nan 8.280 nan 0.000 0.552 35 W N 1.601 122.800 121.300 -0.169 0.000 2.316 35 W HA 0.301 4.960 4.660 -0.000 0.000 0.321 35 W C 0.352 176.699 176.519 -0.286 0.000 1.203 35 W CA 0.156 57.438 57.345 -0.105 0.000 1.214 35 W CB 0.653 30.079 29.460 -0.056 0.000 1.169 35 W HN 0.324 nan 8.180 nan 0.000 0.561 36 H N 2.711 121.981 119.070 0.335 0.000 2.806 36 H HA 0.272 4.828 4.556 0.000 0.000 0.367 36 H C -2.311 173.024 175.328 0.012 0.000 1.136 36 H CA -1.873 54.271 56.048 0.161 0.000 1.178 36 H CB 2.067 31.833 29.762 0.007 0.000 1.718 36 H HN 0.044 nan 8.280 nan 0.000 0.540 37 P HA 0.147 nan 4.420 nan 0.000 0.275 37 P C -0.154 176.773 177.300 -0.621 0.000 1.227 37 P CA -0.045 62.429 63.100 -1.043 0.000 0.781 37 P CB 1.502 31.949 31.700 -2.088 0.000 0.906 38 A N 2.438 125.019 122.820 -0.398 0.000 2.074 38 A HA 0.651 4.971 4.320 -0.000 0.000 0.200 38 A C 0.763 178.365 177.584 0.030 0.000 1.335 38 A CA 1.030 53.018 52.037 -0.081 0.000 0.922 38 A CB -0.005 18.945 19.000 -0.084 0.000 0.972 38 A HN 0.742 nan 8.150 nan 0.000 0.475 39 A N -1.807 120.931 122.820 -0.136 0.000 2.483 39 A HA 0.610 4.930 4.320 -0.000 0.000 0.294 39 A C -1.779 175.585 177.584 -0.366 0.000 1.077 39 A CA -0.657 51.304 52.037 -0.127 0.000 0.633 39 A CB -0.174 18.812 19.000 -0.024 0.000 1.318 39 A HN 0.279 nan 8.150 nan 0.000 0.455 40 F N 0.653 120.594 119.950 -0.015 0.000 2.399 40 F HA 0.377 4.904 4.527 -0.000 0.000 0.334 40 F C 1.404 177.169 175.800 -0.058 0.000 1.097 40 F CA 0.294 58.250 58.000 -0.073 0.000 1.076 40 F CB 1.527 40.483 39.000 -0.074 0.000 1.162 40 F HN 0.865 nan 8.300 nan 0.000 0.495 41 D N 0.671 121.109 120.400 0.064 0.000 2.133 41 D HA -0.225 4.415 4.640 -0.000 0.000 0.195 41 D C 1.746 178.157 176.300 0.185 0.000 0.997 41 D CA 1.860 55.901 54.000 0.069 0.000 0.840 41 D CB -0.111 40.709 40.800 0.033 0.000 0.947 41 D HN 0.675 nan 8.370 nan 0.000 0.452 42 H N -0.614 118.505 119.070 0.083 0.000 2.567 42 H HA 0.031 4.587 4.556 -0.000 0.000 0.276 42 H C 1.248 176.604 175.328 0.046 0.000 1.016 42 H CA 0.354 56.431 56.048 0.049 0.000 1.186 42 H CB 0.258 30.037 29.762 0.027 0.000 1.351 42 H HN 0.367 nan 8.280 nan 0.000 0.605 43 E N 0.522 120.833 120.200 0.185 0.000 2.435 43 E HA 0.059 4.409 4.350 -0.000 0.000 0.195 43 E C -0.254 176.391 176.600 0.074 0.000 1.029 43 E CA 0.163 56.635 56.400 0.120 0.000 0.865 43 E CB 0.529 30.304 29.700 0.125 0.000 0.833 43 E HN 0.344 nan 8.360 nan 0.000 0.510 44 L N 1.016 122.280 121.223 0.067 0.000 2.343 44 L HA 0.451 4.791 4.340 -0.000 0.000 0.278 44 L C -0.379 176.493 176.870 0.003 0.000 0.996 44 L CA -0.691 54.162 54.840 0.021 0.000 0.831 44 L CB 1.678 43.742 42.059 0.009 0.000 1.232 44 L HN -0.083 nan 8.230 nan 0.000 0.413 45 A N 2.125 124.930 122.820 -0.024 0.000 2.269 45 A HA 0.587 4.907 4.320 -0.000 0.000 0.327 45 A C -0.298 177.245 177.584 -0.067 0.000 1.112 45 A CA -0.525 51.491 52.037 -0.036 0.000 0.865 45 A CB 0.936 19.915 19.000 -0.034 0.000 1.227 45 A HN 0.646 nan 8.150 nan 0.000 0.498 46 E N -0.043 120.121 120.200 -0.061 0.000 2.529 46 E HA 0.338 4.688 4.350 -0.000 0.000 0.259 46 E C 1.245 177.774 176.600 -0.120 0.000 0.966 46 E CA 1.725 58.077 56.400 -0.079 0.000 0.937 46 E CB -0.118 29.551 29.700 -0.052 0.000 0.923 46 E HN 1.743 nan 8.360 nan 0.000 0.468 47 G N 3.400 112.088 108.800 -0.187 0.000 2.189 47 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.267 47 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.267 47 G C 0.324 174.975 174.900 -0.415 0.000 0.975 47 G CA 0.551 45.489 45.100 -0.271 0.000 0.644 47 G HN 0.623 nan 8.290 nan 0.000 0.537 48 E N -0.644 119.355 120.200 -0.335 0.000 2.349 48 E HA 0.638 4.988 4.350 -0.000 0.000 0.262 48 E C -0.593 175.741 176.600 -0.442 0.000 1.088 48 E CA -0.770 55.475 56.400 -0.258 0.000 0.899 48 E CB 0.357 29.999 29.700 -0.097 0.000 1.044 48 E HN 0.099 nan 8.360 nan 0.000 0.420 49 F N 1.404 121.366 119.950 0.020 0.000 2.546 49 F HA 0.475 5.002 4.527 0.000 0.000 0.320 49 F C -0.520 175.300 175.800 0.032 0.000 1.076 49 F CA -0.751 57.267 58.000 0.030 0.000 0.928 49 F CB 2.000 41.022 39.000 0.037 0.000 1.189 49 F HN 0.103 nan 8.300 nan 0.000 0.465 50 V N 2.164 122.220 119.914 0.236 0.000 2.668 50 V HA 0.730 4.850 4.120 -0.000 0.000 0.304 50 V C -0.708 175.464 176.094 0.131 0.000 1.071 50 V CA -0.991 61.394 62.300 0.141 0.000 0.894 50 V CB 1.682 33.557 31.823 0.088 0.000 1.008 50 V HN 0.912 nan 8.190 nan 0.000 0.425 51 A N 4.719 127.597 122.820 0.098 0.000 2.292 51 A HA 0.940 5.260 4.320 -0.000 0.000 0.319 51 A C -0.395 177.214 177.584 0.042 0.000 1.206 51 A CA -0.439 51.642 52.037 0.074 0.000 0.835 51 A CB 1.345 20.381 19.000 0.060 0.000 1.164 51 A HN 1.589 nan 8.150 nan 0.000 0.505 52 V N -0.407 119.521 119.914 0.024 0.000 3.078 52 V HA 0.892 5.012 4.120 -0.000 0.000 0.311 52 V C -0.438 175.648 176.094 -0.014 0.000 1.138 52 V CA -0.527 61.776 62.300 0.005 0.000 1.007 52 V CB 1.724 33.546 31.823 -0.001 0.000 1.045 52 V HN 0.711 nan 8.190 nan 0.000 0.432 53 T N 4.613 119.160 114.554 -0.012 0.000 2.815 53 T HA 0.701 5.051 4.350 -0.000 0.000 0.289 53 T C -0.500 174.179 174.700 -0.034 0.000 1.000 53 T CA -0.185 61.901 62.100 -0.022 0.000 0.958 53 T CB 0.951 69.816 68.868 -0.004 0.000 0.944 53 T HN 0.744 nan 8.240 nan 0.000 0.442 54 M N 3.706 123.261 119.600 -0.075 0.000 2.253 54 M HA 0.404 4.884 4.480 -0.000 0.000 0.314 54 M C -0.417 175.805 176.300 -0.128 0.000 1.019 54 M CA -0.854 54.379 55.300 -0.111 0.000 0.932 54 M CB 1.764 34.275 32.600 -0.148 0.000 1.606 54 M HN 0.390 nan 8.290 nan 0.000 0.430 55 L N 3.137 124.264 121.223 -0.161 0.000 3.781 55 L HA -0.272 4.068 4.340 -0.000 0.000 0.426 55 L C 1.060 177.881 176.870 -0.082 0.000 1.197 55 L CA 1.410 56.151 54.840 -0.166 0.000 0.907 55 L CB -2.353 39.579 42.059 -0.212 0.000 1.812 55 L HN 1.217 nan 8.230 nan 0.000 0.956 56 G N -2.288 106.483 108.800 -0.049 0.000 2.205 56 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.261 56 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.261 56 G C 0.255 175.148 174.900 -0.012 0.000 0.980 56 G CA 0.364 45.453 45.100 -0.019 0.000 0.632 56 G HN 0.524 nan 8.290 nan 0.000 0.533 57 E N 0.866 121.053 120.200 -0.021 0.000 2.156 57 E HA 0.406 4.756 4.350 -0.000 0.000 0.279 57 E C -0.081 176.507 176.600 -0.020 0.000 0.965 57 E CA -0.622 55.779 56.400 0.003 0.000 0.789 57 E CB 1.055 30.781 29.700 0.043 0.000 1.098 57 E HN 0.237 nan 8.360 nan 0.000 0.397 58 K N 2.224 122.625 120.400 0.002 0.000 2.312 58 K HA 0.280 4.600 4.320 -0.000 0.000 0.287 58 K C -0.653 175.950 176.600 0.006 0.000 1.062 58 K CA -0.274 56.010 56.287 -0.004 0.000 0.934 58 K CB 1.050 33.549 32.500 -0.002 0.000 1.027 58 K HN 0.191 nan 8.250 nan 0.000 0.478 59 V N 4.380 124.276 119.914 -0.029 0.000 2.604 59 V HA 0.305 4.425 4.120 -0.000 0.000 0.305 59 V C -0.768 175.354 176.094 0.048 0.000 1.043 59 V CA -1.082 61.196 62.300 -0.037 0.000 0.888 59 V CB 1.732 33.404 31.823 -0.251 0.000 0.995 59 V HN 0.543 nan 8.190 nan 0.000 0.429 60 L N 5.891 127.194 121.223 0.133 0.000 2.287 60 L HA 0.628 4.968 4.340 -0.000 0.000 0.287 60 L C -0.721 176.263 176.870 0.191 0.000 1.022 60 L CA 0.236 55.192 54.840 0.193 0.000 0.814 60 L CB 0.947 43.176 42.059 0.284 0.000 1.217 60 L HN 0.533 nan 8.230 nan 0.000 0.420 61 L N 4.424 125.751 121.223 0.174 0.000 2.331 61 L HA 0.791 5.131 4.340 -0.000 0.000 0.275 61 L C 0.106 177.056 176.870 0.134 0.000 1.022 61 L CA -0.460 54.457 54.840 0.129 0.000 0.812 61 L CB 1.928 44.030 42.059 0.071 0.000 1.257 61 L HN 0.663 nan 8.230 nan 0.000 0.435 62 T N 1.132 115.708 114.554 0.036 0.000 2.830 62 T HA 0.313 4.663 4.350 -0.000 0.000 0.322 62 T C -1.530 173.104 174.700 -0.110 0.000 1.501 62 T CA -0.714 61.300 62.100 -0.144 0.000 1.036 62 T CB 1.821 70.491 68.868 -0.330 0.000 1.379 62 T HN 0.639 nan 8.240 nan 0.000 0.493 63 R N 1.863 122.264 120.500 -0.164 0.000 2.265 63 R HA 0.772 5.112 4.340 -0.000 0.000 0.328 63 R C -1.101 175.137 176.300 -0.104 0.000 0.969 63 R CA -0.494 55.550 56.100 -0.092 0.000 0.832 63 R CB 0.867 31.125 30.300 -0.070 0.000 1.139 63 R HN 0.667 nan 8.270 nan 0.000 0.457 64 A N 4.037 126.824 122.820 -0.055 0.000 2.319 64 A HA 0.335 4.655 4.320 -0.000 0.000 0.310 64 A C -0.364 177.210 177.584 -0.016 0.000 1.152 64 A CA -0.664 51.349 52.037 -0.040 0.000 0.783 64 A CB 0.717 19.707 19.000 -0.017 0.000 1.184 64 A HN 0.945 nan 8.150 nan 0.000 0.474 65 K N 1.573 121.963 120.400 -0.016 0.000 3.071 65 K HA -0.249 4.071 4.320 -0.000 0.000 0.265 65 K C 1.052 177.650 176.600 -0.003 0.000 1.060 65 K CA 1.066 57.350 56.287 -0.005 0.000 0.767 65 K CB -1.795 30.707 32.500 0.004 0.000 1.241 65 K HN 2.331 nan 8.250 nan 0.000 0.486 66 G N -0.435 108.359 108.800 -0.010 0.000 2.253 66 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.251 66 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.251 66 G C -0.154 174.749 174.900 0.004 0.000 0.998 66 G CA 0.627 45.725 45.100 -0.003 0.000 0.621 66 G HN 0.459 nan 8.290 nan 0.000 0.524 67 E N 0.152 120.355 120.200 0.005 0.000 2.191 67 E HA 0.528 4.878 4.350 -0.000 0.000 0.278 67 E C -0.010 176.599 176.600 0.016 0.000 0.972 67 E CA -0.843 55.567 56.400 0.016 0.000 0.804 67 E CB 2.518 32.233 29.700 0.024 0.000 1.110 67 E HN 0.090 nan 8.360 nan 0.000 0.394 68 V N 4.532 124.462 119.914 0.026 0.000 2.508 68 V HA 0.076 4.196 4.120 -0.000 0.000 0.281 68 V C 0.136 176.263 176.094 0.055 0.000 1.041 68 V CA 0.072 62.390 62.300 0.030 0.000 1.016 68 V CB 0.325 32.168 31.823 0.034 0.000 0.984 68 V HN 0.517 nan 8.190 nan 0.000 0.478 69 K N 3.620 124.053 120.400 0.056 0.000 2.318 69 K HA 0.856 5.176 4.320 -0.000 0.000 0.249 69 K C -0.564 176.105 176.600 0.116 0.000 0.942 69 K CA -0.571 55.769 56.287 0.089 0.000 0.808 69 K CB 2.456 35.004 32.500 0.079 0.000 1.189 69 K HN 0.674 nan 8.250 nan 0.000 0.428 70 A N 2.817 125.734 122.820 0.160 0.000 2.343 70 A HA 0.757 5.077 4.320 -0.000 0.000 0.308 70 A C -1.033 176.735 177.584 0.305 0.000 1.092 70 A CA -0.743 51.410 52.037 0.195 0.000 0.751 70 A CB 0.750 19.845 19.000 0.159 0.000 1.203 70 A HN 0.768 nan 8.150 nan 0.000 0.452 71 I N 1.524 122.272 120.570 0.296 0.000 2.865 71 I HA 0.696 4.866 4.170 -0.000 0.000 0.302 71 I C 0.403 176.745 176.117 0.374 0.000 1.140 71 I CA -0.992 60.495 61.300 0.313 0.000 1.021 71 I CB 2.009 40.122 38.000 0.189 0.000 1.233 71 I HN 0.835 nan 8.210 nan 0.000 0.427 72 A N 3.772 126.815 122.820 0.372 0.000 2.548 72 A HA 0.014 4.334 4.320 -0.000 0.000 0.247 72 A C -0.007 177.711 177.584 0.224 0.000 1.067 72 A CA 0.225 52.450 52.037 0.313 0.000 0.757 72 A CB -0.173 18.928 19.000 0.168 0.000 0.996 72 A HN 0.693 nan 8.150 nan 0.000 0.504 73 D N 2.162 122.646 120.400 0.140 0.000 2.801 73 D HA 0.415 5.055 4.640 -0.000 0.000 0.232 73 D C 0.268 176.438 176.300 -0.216 0.000 1.128 73 D CA 1.026 55.060 54.000 0.058 0.000 1.003 73 D CB -0.534 40.308 40.800 0.071 0.000 1.110 73 D HN 0.722 nan 8.370 nan 0.000 0.477 74 G N 0.782 109.308 108.800 -0.457 0.000 2.635 74 G HA2 0.237 4.197 3.960 -0.000 0.000 0.295 74 G HA3 0.237 4.197 3.960 -0.000 0.000 0.295 74 G C -0.767 173.762 174.900 -0.617 0.000 1.359 74 G CA -0.683 44.112 45.100 -0.508 0.000 1.232 74 G HN 0.318 nan 8.290 nan 0.000 0.597 75 C N 2.348 121.214 119.300 -0.724 0.000 2.644 75 C HA 0.555 5.015 4.460 -0.000 0.000 0.417 75 C C 2.085 177.029 174.990 -0.077 0.000 1.304 75 C CA 0.537 59.369 59.018 -0.310 0.000 2.035 75 C CB 0.278 27.899 27.740 -0.199 0.000 2.673 75 C HN 1.099 nan 8.230 nan 0.000 0.602 76 A N 2.833 125.756 122.820 0.172 0.000 2.066 76 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 76 A C 2.039 179.655 177.584 0.054 0.000 1.157 76 A CA 1.562 53.718 52.037 0.197 0.000 0.670 76 A CB -0.859 18.417 19.000 0.461 0.000 0.804 76 A HN 1.068 nan 8.150 nan 0.000 0.453 77 H N -0.317 118.498 119.070 -0.425 0.000 2.300 77 H HA 0.092 4.648 4.556 -0.000 0.000 0.302 77 H C 1.005 176.101 175.328 -0.387 0.000 1.049 77 H CA 1.097 56.656 56.048 -0.814 0.000 1.254 77 H CB 0.085 28.886 29.762 -1.603 0.000 1.396 77 H HN 0.323 nan 8.280 nan 0.000 0.518 78 R N -0.305 119.913 120.500 -0.471 0.000 2.652 78 R HA 0.148 4.488 4.340 -0.000 0.000 0.372 78 R C 0.631 176.817 176.300 -0.189 0.000 1.104 78 R CA 0.392 56.278 56.100 -0.358 0.000 1.072 78 R CB 1.200 31.271 30.300 -0.381 0.000 1.367 78 R HN 0.692 nan 8.270 nan 0.000 0.577 79 G N 1.592 110.287 108.800 -0.176 0.000 2.212 79 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.267 79 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.267 79 G C 0.489 175.288 174.900 -0.169 0.000 1.002 79 G CA 0.701 45.710 45.100 -0.152 0.000 0.729 79 G HN 0.321 nan 8.290 nan 0.000 0.517 80 V N -2.455 117.342 119.914 -0.194 0.000 3.051 80 V HA 0.700 4.820 4.120 -0.000 0.000 0.306 80 V C -1.705 174.259 176.094 -0.217 0.000 1.083 80 V CA -2.107 60.116 62.300 -0.129 0.000 1.104 80 V CB 1.262 33.029 31.823 -0.093 0.000 1.027 80 V HN 0.074 nan 8.190 nan 0.000 0.483 81 P HA 0.387 nan 4.420 nan 0.000 0.285 81 P C -0.144 177.210 177.300 0.090 0.000 1.259 81 P CA -0.281 62.755 63.100 -0.106 0.000 0.794 81 P CB 0.542 32.239 31.700 -0.005 0.000 0.940 82 F N 0.687 120.731 119.950 0.157 0.000 2.234 82 F HA -0.165 4.362 4.527 0.000 0.000 0.299 82 F C 2.375 178.245 175.800 0.117 0.000 1.087 82 F CA 1.659 59.768 58.000 0.183 0.000 1.340 82 F CB -1.664 37.350 39.000 0.025 0.000 1.031 82 F HN 0.262 nan 8.300 nan 0.000 0.500 83 S N -0.243 115.571 115.700 0.190 0.000 2.465 83 S HA -0.179 4.291 4.470 -0.000 0.000 0.241 83 S C 1.901 176.487 174.600 -0.024 0.000 1.000 83 S CA 0.728 58.958 58.200 0.050 0.000 0.964 83 S CB -0.424 62.806 63.200 0.050 0.000 0.763 83 S HN 0.274 nan 8.310 nan 0.000 0.512 84 K N 1.184 121.560 120.400 -0.040 0.000 2.147 84 K HA 0.055 4.375 4.320 -0.000 0.000 0.205 84 K C 0.933 177.310 176.600 -0.373 0.000 1.049 84 K CA 1.151 57.281 56.287 -0.261 0.000 0.936 84 K CB -0.123 32.096 32.500 -0.467 0.000 0.722 84 K HN 0.739 nan 8.250 nan 0.000 0.446 85 E N 0.301 120.315 120.200 -0.310 0.000 2.850 85 E HA 0.117 4.467 4.350 -0.000 0.000 0.368 85 E C -2.783 173.816 176.600 -0.002 0.000 1.116 85 E CA -1.197 55.076 56.400 -0.212 0.000 0.787 85 E CB 1.087 30.571 29.700 -0.361 0.000 1.561 85 E HN -0.139 nan 8.360 nan 0.000 0.381 86 P HA 0.102 nan 4.420 nan 0.000 0.267 86 P C -0.579 176.488 177.300 -0.388 0.000 1.205 86 P CA 0.115 62.925 63.100 -0.484 0.000 0.765 86 P CB 0.895 31.841 31.700 -1.255 0.000 0.828 87 L N 3.438 124.514 121.223 -0.245 0.000 2.370 87 L HA 0.625 4.965 4.340 -0.000 0.000 0.266 87 L C -0.196 176.618 176.870 -0.095 0.000 1.002 87 L CA -0.846 53.899 54.840 -0.158 0.000 0.818 87 L CB 2.432 44.444 42.059 -0.079 0.000 1.325 87 L HN 0.448 nan 8.230 nan 0.000 0.418 88 C N 1.910 121.100 119.300 -0.183 0.000 2.505 88 C HA 0.513 4.973 4.460 -0.000 0.000 0.342 88 C C 0.082 174.915 174.990 -0.262 0.000 1.121 88 C CA -0.419 58.567 59.018 -0.052 0.000 1.306 88 C CB 0.322 28.148 27.740 0.142 0.000 1.897 88 C HN 0.797 nan 8.230 nan 0.000 0.446 89 F N 3.193 123.201 119.950 0.097 0.000 2.678 89 F HA 0.430 4.957 4.527 -0.000 0.000 0.305 89 F C 0.913 176.746 175.800 0.055 0.000 1.090 89 F CA 0.047 58.090 58.000 0.071 0.000 1.272 89 F CB 0.190 39.228 39.000 0.062 0.000 1.060 89 F HN 0.590 nan 8.300 nan 0.000 0.576 90 K N 0.658 121.162 120.400 0.174 0.000 2.575 90 K HA 0.538 4.858 4.320 -0.000 0.000 0.271 90 K C -0.946 175.701 176.600 0.079 0.000 1.013 90 K CA -0.510 55.847 56.287 0.116 0.000 0.939 90 K CB 0.978 33.548 32.500 0.116 0.000 1.328 90 K HN -0.073 nan 8.250 nan 0.000 0.450 91 A N 2.231 125.081 122.820 0.049 0.000 2.580 91 A HA 0.390 4.710 4.320 -0.000 0.000 0.244 91 A C 1.277 178.884 177.584 0.037 0.000 1.045 91 A CA 1.629 53.682 52.037 0.028 0.000 0.761 91 A CB -0.646 18.361 19.000 0.012 0.000 0.962 91 A HN 1.555 nan 8.150 nan 0.000 0.512 92 G N 1.327 110.150 108.800 0.038 0.000 2.179 92 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.220 92 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.220 92 G C 0.417 175.358 174.900 0.067 0.000 0.990 92 G CA 0.762 45.889 45.100 0.047 0.000 0.646 92 G HN 2.516 nan 8.290 nan 0.000 0.517 93 T N -3.134 111.470 114.554 0.083 0.000 2.865 93 T HA 0.808 5.158 4.350 -0.000 0.000 0.294 93 T C -0.974 173.797 174.700 0.118 0.000 1.119 93 T CA -0.233 61.930 62.100 0.104 0.000 1.007 93 T CB 2.808 71.741 68.868 0.109 0.000 1.225 93 T HN 1.603 nan 8.240 nan 0.000 0.515 94 V N 0.565 120.540 119.914 0.102 0.000 2.808 94 V HA 0.736 4.856 4.120 -0.000 0.000 0.308 94 V C -1.169 174.947 176.094 0.038 0.000 1.099 94 V CA -0.369 61.950 62.300 0.032 0.000 0.920 94 V CB 2.313 34.052 31.823 -0.140 0.000 1.014 94 V HN 1.190 nan 8.190 nan 0.000 0.425 95 S N 4.791 120.539 115.700 0.080 0.000 2.454 95 S HA 0.427 4.897 4.470 -0.000 0.000 0.306 95 S C -0.414 174.305 174.600 0.199 0.000 1.100 95 S CA -0.369 57.958 58.200 0.211 0.000 1.087 95 S CB 1.336 64.786 63.200 0.417 0.000 1.019 95 S HN 1.067 nan 8.310 nan 0.000 0.480 96 C N 5.870 125.357 119.300 0.312 0.000 2.653 96 C HA 0.213 4.673 4.460 -0.000 0.000 0.421 96 C C 1.964 177.087 174.990 0.221 0.000 1.334 96 C CA -0.581 58.643 59.018 0.343 0.000 1.885 96 C CB -0.691 27.278 27.740 0.382 0.000 2.645 96 C HN 1.058 nan 8.230 nan 0.000 0.601 97 W N 4.559 126.029 121.300 0.283 0.000 2.595 97 W HA -0.040 4.620 4.660 -0.000 0.000 0.257 97 W C 1.302 177.950 176.519 0.215 0.000 1.267 97 W CA 0.295 57.759 57.345 0.199 0.000 1.300 97 W CB -1.102 28.421 29.460 0.105 0.000 1.120 97 W HN 0.817 nan 8.180 nan 0.000 0.618 98 Y N 1.971 121.947 120.300 -0.541 0.000 2.205 98 Y HA -0.027 4.523 4.550 -0.000 0.000 0.292 98 Y C 1.391 176.994 175.900 -0.495 0.000 1.119 98 Y CA 1.513 59.241 58.100 -0.620 0.000 1.117 98 Y CB -0.836 36.941 38.460 -1.137 0.000 1.037 98 Y HN -0.026 nan 8.280 nan 0.000 0.510 99 H N -1.475 117.575 119.070 -0.034 0.000 2.662 99 H HA 0.377 4.933 4.556 -0.000 0.000 0.268 99 H C 1.338 176.760 175.328 0.157 0.000 1.152 99 H CA 0.242 56.289 56.048 -0.001 0.000 1.072 99 H CB 0.446 30.154 29.762 -0.089 0.000 1.660 99 H HN 0.365 nan 8.280 nan 0.000 0.584 100 G N 0.196 109.152 108.800 0.259 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 -0.275 174.820 174.900 0.325 0.000 0.983 100 G CA -0.115 45.145 45.100 0.267 0.000 0.676 100 G HN 0.251 nan 8.290 nan 0.000 0.528 101 W N 1.074 122.410 121.300 0.061 0.000 2.295 101 W HA 0.500 5.160 4.660 0.000 0.000 0.335 101 W C 0.779 177.256 176.519 -0.069 0.000 1.351 101 W CA 0.502 57.806 57.345 -0.068 0.000 1.273 101 W CB 0.285 29.718 29.460 -0.044 0.000 1.214 101 W HN 0.063 nan 8.180 nan 0.000 0.563 102 T N 4.812 119.328 114.554 -0.063 0.000 2.807 102 T HA 0.460 4.810 4.350 -0.000 0.000 0.279 102 T C -1.097 173.487 174.700 -0.193 0.000 0.993 102 T CA -0.466 61.625 62.100 -0.014 0.000 0.970 102 T CB 0.694 69.583 68.868 0.034 0.000 0.950 102 T HN 0.012 nan 8.240 nan 0.000 0.441 103 Y N 0.790 121.115 120.300 0.043 0.000 2.487 103 Y HA 0.445 4.995 4.550 -0.000 0.000 0.337 103 Y C 0.429 176.345 175.900 0.026 0.000 1.076 103 Y CA -1.473 56.652 58.100 0.040 0.000 1.115 103 Y CB 0.951 39.446 38.460 0.058 0.000 1.235 103 Y HN 0.484 nan 8.280 nan 0.000 0.468 104 D N 1.979 122.492 120.400 0.188 0.000 2.295 104 D HA 0.132 4.772 4.640 -0.000 0.000 0.248 104 D C 0.649 177.024 176.300 0.125 0.000 1.154 104 D CA 0.145 54.216 54.000 0.118 0.000 0.857 104 D CB 1.201 42.048 40.800 0.078 0.000 1.117 104 D HN 0.673 nan 8.370 nan 0.000 0.468 105 L N 2.894 124.178 121.223 0.101 0.000 2.275 105 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 105 L C 1.528 178.448 176.870 0.083 0.000 1.119 105 L CA 0.669 55.566 54.840 0.095 0.000 0.790 105 L CB -0.031 42.079 42.059 0.085 0.000 0.919 105 L HN 0.391 nan 8.230 nan 0.000 0.443 106 D N 0.166 120.608 120.400 0.069 0.000 2.234 106 D HA -0.115 4.525 4.640 -0.000 0.000 0.205 106 D C 0.971 177.301 176.300 0.050 0.000 0.962 106 D CA 1.334 55.368 54.000 0.056 0.000 0.855 106 D CB 0.130 40.956 40.800 0.044 0.000 0.951 106 D HN 0.581 nan 8.370 nan 0.000 0.500 107 D N -2.399 118.035 120.400 0.056 0.000 2.525 107 D HA 0.173 4.813 4.640 -0.000 0.000 0.231 107 D C 1.443 177.782 176.300 0.065 0.000 1.216 107 D CA 0.445 54.472 54.000 0.046 0.000 0.813 107 D CB 0.066 40.888 40.800 0.037 0.000 1.108 107 D HN 0.058 nan 8.370 nan 0.000 0.524 108 G N 0.715 109.575 108.800 0.100 0.000 2.168 108 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.263 108 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.263 108 G C 0.227 175.275 174.900 0.246 0.000 0.977 108 G CA 0.043 45.230 45.100 0.146 0.000 0.659 108 G HN 0.345 nan 8.290 nan 0.000 0.533 109 R N -0.516 120.091 120.500 0.179 0.000 2.539 109 R HA 0.376 4.716 4.340 -0.000 0.000 0.275 109 R C 0.324 176.699 176.300 0.125 0.000 1.077 109 R CA -0.776 55.412 56.100 0.147 0.000 1.097 109 R CB 0.977 31.312 30.300 0.059 0.000 1.018 109 R HN 0.306 nan 8.270 nan 0.000 0.483 110 L N 4.178 125.400 121.223 -0.001 0.000 2.385 110 L HA 0.020 4.360 4.340 -0.000 0.000 0.281 110 L C 0.927 177.662 176.870 -0.225 0.000 1.106 110 L CA 0.293 54.951 54.840 -0.303 0.000 0.856 110 L CB 0.918 42.733 42.059 -0.406 0.000 1.186 110 L HN 0.556 nan 8.230 nan 0.000 0.453 111 V N 0.449 120.247 119.914 -0.193 0.000 3.644 111 V HA 0.478 4.598 4.120 -0.000 0.000 0.267 111 V C 0.345 176.343 176.094 -0.160 0.000 1.277 111 V CA 0.304 62.525 62.300 -0.133 0.000 1.096 111 V CB -0.107 31.679 31.823 -0.061 0.000 0.828 111 V HN 0.800 nan 8.190 nan 0.000 0.446 112 D N -1.352 118.915 120.400 -0.223 0.000 2.742 112 D HA 0.442 5.082 4.640 -0.000 0.000 0.262 112 D C -1.792 174.346 176.300 -0.270 0.000 1.240 112 D CA -0.138 53.736 54.000 -0.210 0.000 0.752 112 D CB 2.650 43.377 40.800 -0.122 0.000 1.290 112 D HN -0.082 nan 8.370 nan 0.000 0.420 113 V N 3.069 122.838 119.914 -0.242 0.000 2.462 113 V HA 0.206 4.326 4.120 -0.000 0.000 0.288 113 V C 1.507 177.542 176.094 -0.098 0.000 1.020 113 V CA -0.494 61.677 62.300 -0.214 0.000 0.857 113 V CB 1.364 32.964 31.823 -0.371 0.000 1.013 113 V HN 0.556 nan 8.190 nan 0.000 0.431 114 L N 2.619 123.819 121.223 -0.038 0.000 2.127 114 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 114 L C 2.461 179.310 176.870 -0.035 0.000 1.089 114 L CA 2.145 56.950 54.840 -0.059 0.000 0.757 114 L CB -0.490 41.519 42.059 -0.084 0.000 0.899 114 L HN 0.885 nan 8.230 nan 0.000 0.434 115 T N -5.770 108.794 114.554 0.017 0.000 3.100 115 T HA 0.027 4.377 4.350 -0.000 0.000 0.253 115 T C 0.909 175.609 174.700 0.000 0.000 1.118 115 T CA 0.373 62.490 62.100 0.028 0.000 1.058 115 T CB 0.285 69.208 68.868 0.091 0.000 0.953 115 T HN 0.121 nan 8.240 nan 0.000 0.515 116 S N 2.771 118.449 115.700 -0.037 0.000 2.680 116 S HA 0.347 4.817 4.470 -0.000 0.000 0.140 116 S C -3.032 171.509 174.600 -0.098 0.000 1.357 116 S CA -1.129 57.034 58.200 -0.063 0.000 1.201 116 S CB 0.686 63.846 63.200 -0.066 0.000 1.547 116 S HN 0.170 nan 8.310 nan 0.000 0.411 117 P HA 0.244 nan 4.420 nan 0.000 0.265 117 P C 1.032 178.276 177.300 -0.093 0.000 1.193 117 P CA 1.406 64.451 63.100 -0.092 0.000 0.765 117 P CB 0.478 32.135 31.700 -0.071 0.000 0.823 118 G N 1.569 110.305 108.800 -0.106 0.000 2.179 118 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 118 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 118 G C 0.470 175.300 174.900 -0.116 0.000 0.977 118 G CA 0.302 45.342 45.100 -0.099 0.000 0.641 118 G HN 0.822 nan 8.290 nan 0.000 0.533 119 S N 1.520 117.131 115.700 -0.148 0.000 2.558 119 S HA 0.324 4.794 4.470 -0.000 0.000 0.293 119 S C 0.286 174.781 174.600 -0.176 0.000 1.292 119 S CA 0.039 58.138 58.200 -0.168 0.000 1.063 119 S CB 0.963 64.020 63.200 -0.238 0.000 0.831 119 S HN 0.283 nan 8.310 nan 0.000 0.499 120 P HA -0.072 nan 4.420 nan 0.000 0.228 120 P C 1.343 178.551 177.300 -0.153 0.000 1.151 120 P CA 0.963 63.989 63.100 -0.123 0.000 0.770 120 P CB -0.380 31.269 31.700 -0.086 0.000 0.786 121 V N -3.295 116.486 119.914 -0.221 0.000 3.041 121 V HA 0.002 4.122 4.120 -0.000 0.000 0.260 121 V C 1.445 177.352 176.094 -0.312 0.000 1.105 121 V CA 0.196 62.334 62.300 -0.269 0.000 1.125 121 V CB -1.379 30.202 31.823 -0.403 0.000 0.730 121 V HN -0.118 nan 8.190 nan 0.000 0.479 122 I N 2.688 123.068 120.570 -0.317 0.000 2.741 122 I HA 0.356 4.526 4.170 -0.000 0.000 0.288 122 I C 1.584 177.590 176.117 -0.184 0.000 1.192 122 I CA 1.467 62.596 61.300 -0.285 0.000 1.426 122 I CB 0.057 37.911 38.000 -0.244 0.000 1.367 122 I HN 0.503 nan 8.210 nan 0.000 0.563 123 G N 5.181 113.885 108.800 -0.160 0.000 2.176 123 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.253 123 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.253 123 G C 0.913 175.770 174.900 -0.071 0.000 0.979 123 G CA -0.115 44.927 45.100 -0.096 0.000 0.641 123 G HN 0.581 nan 8.290 nan 0.000 0.530 124 K N -0.349 119.999 120.400 -0.087 0.000 2.358 124 K HA 0.480 4.800 4.320 -0.000 0.000 0.200 124 K C 0.868 177.456 176.600 -0.020 0.000 1.030 124 K CA 0.223 56.479 56.287 -0.051 0.000 1.097 124 K CB 1.057 33.521 32.500 -0.060 0.000 0.862 124 K HN 0.526 nan 8.250 nan 0.000 0.534 125 I N -0.199 120.356 120.570 -0.024 0.000 2.828 125 I HA 0.511 4.681 4.170 -0.000 0.000 0.302 125 I C -0.236 175.951 176.117 0.117 0.000 1.101 125 I CA -1.099 60.237 61.300 0.061 0.000 1.031 125 I CB 2.490 40.544 38.000 0.090 0.000 1.231 125 I HN -0.042 nan 8.210 nan 0.000 0.427 126 G N 4.422 113.338 108.800 0.193 0.000 2.673 126 G HA2 0.691 4.651 3.960 -0.000 0.000 0.292 126 G HA3 0.691 4.651 3.960 -0.000 0.000 0.292 126 G C -1.406 173.627 174.900 0.222 0.000 1.450 126 G CA -0.581 44.662 45.100 0.239 0.000 0.837 126 G HN 0.690 nan 8.290 nan 0.000 0.505 127 I N -2.083 118.608 120.570 0.201 0.000 3.170 127 I HA 0.835 5.005 4.170 -0.000 0.000 0.312 127 I C -0.231 175.898 176.117 0.019 0.000 1.085 127 I CA -1.517 59.833 61.300 0.083 0.000 0.999 127 I CB 2.155 40.159 38.000 0.005 0.000 1.233 127 I HN 0.410 nan 8.210 nan 0.000 0.467 128 K N 2.566 122.940 120.400 -0.043 0.000 2.350 128 K HA 0.447 4.767 4.320 -0.000 0.000 0.279 128 K C -0.842 175.636 176.600 -0.202 0.000 1.027 128 K CA -0.218 55.963 56.287 -0.177 0.000 0.969 128 K CB 0.743 33.064 32.500 -0.298 0.000 0.954 128 K HN 0.624 nan 8.250 nan 0.000 0.474 129 V N 1.731 121.503 119.914 -0.236 0.000 2.769 129 V HA 0.626 4.746 4.120 -0.000 0.000 0.312 129 V C -1.245 174.719 176.094 -0.216 0.000 1.061 129 V CA -0.976 61.272 62.300 -0.086 0.000 0.931 129 V CB 1.095 32.933 31.823 0.025 0.000 1.010 129 V HN 0.653 nan 8.190 nan 0.000 0.433 130 Y N 1.774 122.103 120.300 0.049 0.000 2.468 130 Y HA 0.742 5.292 4.550 -0.000 0.000 0.342 130 Y C -2.428 173.505 175.900 0.056 0.000 1.021 130 Y CA -2.933 55.192 58.100 0.040 0.000 1.079 130 Y CB 1.457 39.940 38.460 0.037 0.000 1.226 130 Y HN 0.462 nan 8.280 nan 0.000 0.460 131 P HA 0.191 nan 4.420 nan 0.000 0.271 131 P C -1.070 176.425 177.300 0.324 0.000 1.216 131 P CA -0.055 63.139 63.100 0.156 0.000 0.776 131 P CB 0.778 32.454 31.700 -0.040 0.000 0.881 132 V N 3.447 123.589 119.914 0.381 0.000 2.735 132 V HA 0.531 4.651 4.120 -0.000 0.000 0.310 132 V C -0.359 175.934 176.094 0.331 0.000 1.061 132 V CA -0.419 62.127 62.300 0.410 0.000 0.913 132 V CB 1.875 33.832 31.823 0.224 0.000 1.005 132 V HN 0.497 nan 8.190 nan 0.000 0.428 133 Q N 2.644 122.577 119.800 0.222 0.000 2.263 133 Q HA 0.615 4.955 4.340 -0.000 0.000 0.262 133 Q C -2.094 173.921 176.000 0.026 0.000 0.984 133 Q CA -0.402 55.376 55.803 -0.042 0.000 0.813 133 Q CB 2.360 30.810 28.738 -0.480 0.000 1.299 133 Q HN 0.565 nan 8.270 nan 0.000 0.428 134 V N 2.515 122.443 119.914 0.025 0.000 2.407 134 V HA 0.886 5.006 4.120 -0.000 0.000 0.278 134 V C -0.326 175.799 176.094 0.051 0.000 1.037 134 V CA -0.125 62.203 62.300 0.045 0.000 0.900 134 V CB 1.069 32.904 31.823 0.020 0.000 0.983 134 V HN 0.813 nan 8.190 nan 0.000 0.459 135 A N 3.871 126.771 122.820 0.134 0.000 2.488 135 A HA 0.679 4.999 4.320 -0.000 0.000 0.298 135 A C -0.118 177.560 177.584 0.157 0.000 1.044 135 A CA -0.463 51.648 52.037 0.123 0.000 0.693 135 A CB 1.651 20.710 19.000 0.097 0.000 1.272 135 A HN 0.732 nan 8.150 nan 0.000 0.402 136 Q N 0.557 120.372 119.800 0.025 0.000 2.457 136 Q HA -0.256 4.084 4.340 -0.000 0.000 0.283 136 Q C 1.077 177.013 176.000 -0.107 0.000 1.234 136 Q CA 2.129 57.875 55.803 -0.094 0.000 0.877 136 Q CB -2.086 26.524 28.738 -0.213 0.000 1.250 136 Q HN 2.634 nan 8.270 nan 0.000 0.481 137 G N -2.286 106.466 108.800 -0.081 0.000 2.184 137 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.264 137 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.264 137 G C 0.206 175.073 174.900 -0.055 0.000 0.975 137 G CA 0.287 45.318 45.100 -0.117 0.000 0.642 137 G HN 0.407 nan 8.290 nan 0.000 0.536 138 V N 0.673 120.530 119.914 -0.094 0.000 2.483 138 V HA 0.602 4.722 4.120 -0.000 0.000 0.295 138 V C 0.642 176.464 176.094 -0.454 0.000 1.035 138 V CA -0.876 61.190 62.300 -0.390 0.000 0.896 138 V CB 2.029 33.474 31.823 -0.631 0.000 0.986 138 V HN 0.208 nan 8.190 nan 0.000 0.447 139 V N 5.296 124.899 119.914 -0.517 0.000 2.385 139 V HA 0.387 4.507 4.120 -0.000 0.000 0.269 139 V C -0.408 175.392 176.094 -0.490 0.000 1.043 139 V CA -0.114 61.991 62.300 -0.325 0.000 0.906 139 V CB 0.370 32.089 31.823 -0.173 0.000 0.995 139 V HN 0.604 nan 8.190 nan 0.000 0.467 140 F N 3.757 123.648 119.950 -0.099 0.000 2.422 140 F HA 0.674 5.201 4.527 0.000 0.000 0.333 140 F C 0.156 176.129 175.800 0.290 0.000 1.095 140 F CA -0.654 57.348 58.000 0.003 0.000 1.038 140 F CB 1.932 40.875 39.000 -0.095 0.000 1.156 140 F HN 0.159 nan 8.300 nan 0.000 0.483 141 V N 3.507 123.714 119.914 0.488 0.000 2.656 141 V HA 0.280 4.400 4.120 -0.000 0.000 0.307 141 V C -0.971 175.249 176.094 0.211 0.000 1.051 141 V CA -1.012 61.498 62.300 0.351 0.000 0.893 141 V CB 1.958 33.820 31.823 0.065 0.000 0.999 141 V HN 0.529 nan 8.190 nan 0.000 0.426 142 F N 5.957 125.702 119.950 -0.341 0.000 2.413 142 F HA 0.534 5.061 4.527 0.000 0.000 0.359 142 F C -0.073 175.595 175.800 -0.220 0.000 1.122 142 F CA -0.566 56.988 58.000 -0.744 0.000 1.160 142 F CB 0.425 38.560 39.000 -1.443 0.000 1.146 142 F HN 0.235 nan 8.300 nan 0.000 0.514 143 I N 5.786 126.023 120.570 -0.555 0.000 2.336 143 I HA 0.662 4.832 4.170 -0.000 0.000 0.292 143 I C 0.446 176.298 176.117 -0.442 0.000 0.991 143 I CA -0.295 60.858 61.300 -0.245 0.000 1.227 143 I CB 0.453 38.399 38.000 -0.091 0.000 1.366 143 I HN 0.736 nan 8.210 nan 0.000 0.466 144 G N 5.648 114.340 108.800 -0.179 0.000 2.347 144 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.321 144 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.321 144 G C -0.383 174.504 174.900 -0.021 0.000 1.412 144 G CA -0.640 44.376 45.100 -0.141 0.000 0.990 144 G HN 0.455 nan 8.290 nan 0.000 0.637 145 D N 0.091 120.492 120.400 0.002 0.000 2.348 145 D HA 0.074 4.714 4.640 -0.000 0.000 0.211 145 D C 1.033 177.356 176.300 0.039 0.000 0.998 145 D CA 0.771 54.778 54.000 0.012 0.000 0.873 145 D CB 0.605 41.407 40.800 0.003 0.000 0.925 145 D HN 0.550 nan 8.370 nan 0.000 0.524 146 E N 0.893 121.149 120.200 0.093 0.000 2.342 146 E HA 0.182 4.532 4.350 -0.000 0.000 0.257 146 E C -0.071 176.565 176.600 0.059 0.000 1.150 146 E CA -0.521 55.932 56.400 0.087 0.000 0.926 146 E CB 0.993 30.759 29.700 0.109 0.000 1.074 146 E HN -0.140 nan 8.360 nan 0.000 0.449 147 E N 2.118 122.273 120.200 -0.076 0.000 2.383 147 E HA 0.089 4.439 4.350 -0.000 0.000 0.264 147 E C -2.211 174.029 176.600 -0.601 0.000 1.050 147 E CA -1.471 54.788 56.400 -0.235 0.000 0.896 147 E CB 0.457 30.060 29.700 -0.161 0.000 0.982 147 E HN 0.129 nan 8.360 nan 0.000 0.424 148 P HA 0.034 nan 4.420 nan 0.000 0.271 148 P C -0.716 176.083 177.300 -0.834 0.000 1.218 148 P CA 0.117 62.083 63.100 -1.891 0.000 0.780 148 P CB 0.589 31.363 31.700 -1.544 0.000 0.901 149 H N 0.608 119.369 119.070 -0.515 0.000 2.669 149 H HA 0.615 5.171 4.556 -0.000 0.000 0.318 149 H C -0.163 175.207 175.328 0.070 0.000 1.429 149 H CA -1.216 54.736 56.048 -0.161 0.000 1.460 149 H CB 0.222 29.882 29.762 -0.170 0.000 1.784 149 H HN 0.484 nan 8.280 nan 0.000 0.750 150 A N 1.163 124.112 122.820 0.215 0.000 2.520 150 A HA 0.058 4.378 4.320 -0.000 0.000 0.245 150 A C 1.394 179.020 177.584 0.071 0.000 1.072 150 A CA -0.368 51.723 52.037 0.090 0.000 0.761 150 A CB -0.150 18.859 19.000 0.016 0.000 1.004 150 A HN 0.682 nan 8.150 nan 0.000 0.499 151 L N 3.838 124.872 121.223 -0.314 0.000 2.043 151 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 151 L C 2.660 179.293 176.870 -0.395 0.000 1.075 151 L CA 3.094 57.489 54.840 -0.741 0.000 0.752 151 L CB -0.738 40.666 42.059 -1.092 0.000 0.891 151 L HN 0.893 nan 8.230 nan 0.000 0.432 152 S N -1.076 114.464 115.700 -0.267 0.000 2.420 152 S HA -0.246 4.224 4.470 -0.000 0.000 0.237 152 S C 1.643 176.183 174.600 -0.100 0.000 1.023 152 S CA 1.408 59.494 58.200 -0.190 0.000 0.991 152 S CB -0.895 62.229 63.200 -0.125 0.000 0.792 152 S HN 0.723 nan 8.310 nan 0.000 0.488 153 E N 1.027 121.211 120.200 -0.026 0.000 2.418 153 E HA -0.043 4.307 4.350 -0.000 0.000 0.197 153 E C 0.324 176.957 176.600 0.055 0.000 1.026 153 E CA 0.806 57.220 56.400 0.022 0.000 0.862 153 E CB -0.129 29.443 29.700 -0.214 0.000 0.799 153 E HN 0.596 nan 8.360 nan 0.000 0.518 154 D N 0.376 120.798 120.400 0.036 0.000 2.501 154 D HA 0.214 4.854 4.640 -0.000 0.000 0.226 154 D C -0.197 176.059 176.300 -0.073 0.000 1.198 154 D CA 0.176 54.220 54.000 0.074 0.000 0.830 154 D CB 0.608 41.519 40.800 0.185 0.000 1.014 154 D HN 0.054 nan 8.370 nan 0.000 0.496 155 L N 0.340 121.463 121.223 -0.168 0.000 2.409 155 L HA 0.434 4.774 4.340 -0.000 0.000 0.262 155 L C -2.538 174.117 176.870 -0.357 0.000 0.992 155 L CA -2.161 52.479 54.840 -0.335 0.000 0.817 155 L CB 2.735 44.467 42.059 -0.545 0.000 1.350 155 L HN -0.349 nan 8.230 nan 0.000 0.411 156 P HA 0.161 nan 4.420 nan 0.000 0.269 156 P C -2.547 174.369 177.300 -0.639 0.000 1.215 156 P CA -1.016 61.549 63.100 -0.891 0.000 0.780 156 P CB -0.092 31.349 31.700 -0.432 0.000 0.898 157 P HA 0.070 nan 4.420 nan 0.000 0.267 157 P C 0.993 178.185 177.300 -0.180 0.000 1.200 157 P CA 1.155 63.989 63.100 -0.444 0.000 0.772 157 P CB 0.122 31.529 31.700 -0.488 0.000 0.855 158 G N 1.704 110.447 108.800 -0.095 0.000 2.253 158 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.251 158 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.251 158 G C 0.885 175.805 174.900 0.033 0.000 0.998 158 G CA 0.265 45.364 45.100 -0.002 0.000 0.621 158 G HN 0.510 nan 8.290 nan 0.000 0.524 159 F N 1.260 121.084 119.950 -0.210 0.000 2.171 159 F HA 0.222 4.749 4.527 -0.000 0.000 0.300 159 F C 2.164 177.821 175.800 -0.238 0.000 1.090 159 F CA 2.041 59.790 58.000 -0.417 0.000 1.293 159 F CB -0.061 38.546 39.000 -0.656 0.000 1.013 159 F HN 0.189 nan 8.300 nan 0.000 0.486 160 L N 0.124 121.372 121.223 0.041 0.000 2.612 160 L HA 0.052 4.392 4.340 -0.000 0.000 0.230 160 L C -0.232 176.598 176.870 -0.066 0.000 1.140 160 L CA -0.299 54.534 54.840 -0.012 0.000 0.896 160 L CB -0.814 41.239 42.059 -0.010 0.000 1.065 160 L HN -0.132 nan 8.230 nan 0.000 0.447 161 D N 1.395 121.749 120.400 -0.077 0.000 2.520 161 D HA -0.073 4.567 4.640 -0.000 0.000 0.243 161 D C 1.140 177.403 176.300 -0.061 0.000 1.160 161 D CA 0.502 54.465 54.000 -0.060 0.000 0.877 161 D CB 0.820 41.589 40.800 -0.051 0.000 1.150 161 D HN 0.274 nan 8.370 nan 0.000 0.494 162 E N 1.102 121.277 120.200 -0.042 0.000 2.268 162 E HA -0.139 4.210 4.350 -0.000 0.000 0.195 162 E C 0.609 177.198 176.600 -0.018 0.000 0.995 162 E CA 0.629 57.011 56.400 -0.029 0.000 0.836 162 E CB 0.178 29.865 29.700 -0.022 0.000 0.763 162 E HN 0.479 nan 8.360 nan 0.000 0.491 163 D N 0.974 121.360 120.400 -0.023 0.000 2.538 163 D HA -0.032 4.608 4.640 -0.000 0.000 0.234 163 D C 0.174 176.460 176.300 -0.024 0.000 1.191 163 D CA 0.055 54.044 54.000 -0.018 0.000 0.828 163 D CB -0.144 40.644 40.800 -0.020 0.000 0.981 163 D HN -0.016 nan 8.370 nan 0.000 0.490 164 T N -3.720 110.820 114.554 -0.023 0.000 2.812 164 T HA 0.525 4.875 4.350 -0.000 0.000 0.294 164 T C -1.346 173.374 174.700 0.034 0.000 1.159 164 T CA -0.886 61.195 62.100 -0.033 0.000 1.008 164 T CB 2.531 71.350 68.868 -0.081 0.000 1.289 164 T HN 0.134 nan 8.240 nan 0.000 0.514 165 H N -0.750 118.275 119.070 -0.076 0.000 2.806 165 H HA 0.745 5.301 4.556 -0.000 0.000 0.367 165 H C -1.770 173.609 175.328 0.086 0.000 1.136 165 H CA -0.748 55.312 56.048 0.020 0.000 1.178 165 H CB 1.258 31.101 29.762 0.134 0.000 1.718 165 H HN 0.590 nan 8.280 nan 0.000 0.540 166 L N 4.661 125.676 121.223 -0.347 0.000 2.362 166 L HA 0.555 4.895 4.340 -0.000 0.000 0.271 166 L C -1.100 175.619 176.870 -0.252 0.000 1.002 166 L CA -0.374 54.381 54.840 -0.142 0.000 0.818 166 L CB 1.802 43.713 42.059 -0.247 0.000 1.298 166 L HN 0.516 nan 8.230 nan 0.000 0.420 167 L N 1.490 122.581 121.223 -0.220 0.000 2.445 167 L HA 0.965 5.305 4.340 -0.000 0.000 0.262 167 L C -0.019 176.506 176.870 -0.574 0.000 0.974 167 L CA -0.341 54.076 54.840 -0.705 0.000 0.822 167 L CB 2.251 43.414 42.059 -1.493 0.000 1.339 167 L HN 0.733 nan 8.230 nan 0.000 0.409 168 G N 1.873 110.318 108.800 -0.591 0.000 2.619 168 G HA2 0.765 4.725 3.960 -0.000 0.000 0.305 168 G HA3 0.765 4.725 3.960 -0.000 0.000 0.305 168 G C -1.720 172.878 174.900 -0.504 0.000 1.330 168 G CA -0.485 44.501 45.100 -0.190 0.000 0.789 168 G HN 0.710 nan 8.290 nan 0.000 0.487 169 I N -2.638 117.866 120.570 -0.109 0.000 3.191 169 I HA 0.929 5.099 4.170 -0.000 0.000 0.313 169 I C -0.947 175.225 176.117 0.091 0.000 1.193 169 I CA -1.536 59.697 61.300 -0.110 0.000 0.968 169 I CB 2.661 40.612 38.000 -0.081 0.000 1.262 169 I HN 0.865 nan 8.210 nan 0.000 0.456 170 R N 1.917 122.395 120.500 -0.037 0.000 2.740 170 R HA 0.840 5.180 4.340 -0.000 0.000 0.273 170 R C -1.458 174.712 176.300 -0.216 0.000 0.998 170 R CA -0.939 54.936 56.100 -0.375 0.000 0.900 170 R CB 2.472 32.197 30.300 -0.960 0.000 1.223 170 R HN 0.992 nan 8.270 nan 0.000 0.466 171 R N 0.296 120.688 120.500 -0.180 0.000 2.734 171 R HA 0.405 4.745 4.340 -0.000 0.000 0.271 171 R C -1.515 174.778 176.300 -0.012 0.000 1.021 171 R CA -0.909 55.167 56.100 -0.039 0.000 0.893 171 R CB 1.948 32.285 30.300 0.061 0.000 1.244 171 R HN 0.557 nan 8.270 nan 0.000 0.464 172 T N 1.458 116.012 114.554 -0.000 0.000 2.845 172 T HA 0.434 4.784 4.350 -0.000 0.000 0.288 172 T C -0.499 174.182 174.700 -0.032 0.000 0.980 172 T CA -0.441 61.648 62.100 -0.019 0.000 1.071 172 T CB 1.322 70.189 68.868 -0.003 0.000 0.941 172 T HN 0.309 nan 8.240 nan 0.000 0.487 173 V N 3.939 123.757 119.914 -0.160 0.000 2.540 173 V HA 0.290 4.410 4.120 -0.000 0.000 0.302 173 V C 0.006 176.043 176.094 -0.095 0.000 1.035 173 V CA -0.975 61.219 62.300 -0.176 0.000 0.873 173 V CB 1.993 33.563 31.823 -0.423 0.000 0.992 173 V HN 0.726 nan 8.190 nan 0.000 0.428 174 Q N 3.302 123.116 119.800 0.024 0.000 3.254 174 Q HA 0.301 4.641 4.340 -0.000 0.000 0.315 174 Q C 0.220 176.296 176.000 0.127 0.000 1.405 174 Q CA 0.023 55.871 55.803 0.076 0.000 0.966 174 Q CB 0.459 29.243 28.738 0.077 0.000 1.706 174 Q HN 0.886 nan 8.270 nan 0.000 0.525 175 S N -0.658 115.160 115.700 0.197 0.000 2.570 175 S HA 0.330 4.800 4.470 -0.000 0.000 0.270 175 S C -0.528 174.274 174.600 0.337 0.000 1.149 175 S CA -1.021 57.322 58.200 0.238 0.000 0.837 175 S CB 1.745 65.079 63.200 0.224 0.000 1.124 175 S HN 0.391 nan 8.310 nan 0.000 0.465 176 N N 1.482 120.306 118.700 0.207 0.000 2.441 176 N HA -0.024 4.716 4.740 -0.000 0.000 0.251 176 N C 1.598 177.149 175.510 0.068 0.000 1.242 176 N CA 0.296 53.453 53.050 0.178 0.000 0.898 176 N CB 0.432 38.975 38.487 0.094 0.000 1.100 176 N HN 0.951 nan 8.380 nan 0.000 0.443 177 W N 5.227 126.504 121.300 -0.039 0.000 2.350 177 W HA -0.157 4.503 4.660 -0.000 0.000 0.289 177 W C 1.114 177.473 176.519 -0.268 0.000 1.215 177 W CA 0.386 57.573 57.345 -0.264 0.000 1.236 177 W CB -0.734 28.695 29.460 -0.052 0.000 1.130 177 W HN 0.589 nan 8.180 nan 0.000 0.541 178 R N 0.809 120.654 120.500 -1.092 0.000 2.115 178 R HA -0.032 4.308 4.340 -0.000 0.000 0.230 178 R C 2.505 178.552 176.300 -0.423 0.000 1.111 178 R CA 1.659 57.198 56.100 -0.934 0.000 0.976 178 R CB -0.548 29.176 30.300 -0.961 0.000 0.870 178 R HN 0.254 nan 8.270 nan 0.000 0.445 179 L N -0.593 120.421 121.223 -0.349 0.000 2.217 179 L HA -0.023 4.317 4.340 -0.000 0.000 0.211 179 L C 2.395 179.060 176.870 -0.341 0.000 1.107 179 L CA 1.032 55.688 54.840 -0.307 0.000 0.783 179 L CB -0.569 41.369 42.059 -0.201 0.000 0.919 179 L HN 0.342 nan 8.230 nan 0.000 0.442 180 G N -0.118 108.400 108.800 -0.469 0.000 2.404 180 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.214 180 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.214 180 G C 1.586 175.825 174.900 -1.102 0.000 1.189 180 G CA 0.683 45.437 45.100 -0.577 0.000 0.789 180 G HN 0.123 nan 8.290 nan 0.000 0.533 181 V N 1.143 120.332 119.914 -1.209 0.000 2.282 181 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 181 V C 2.628 178.344 176.094 -0.630 0.000 1.057 181 V CA 2.298 63.927 62.300 -1.119 0.000 1.032 181 V CB -0.567 30.916 31.823 -0.566 0.000 0.645 181 V HN 0.480 nan 8.190 nan 0.000 0.447 182 E N -0.082 119.874 120.200 -0.406 0.000 2.347 182 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 182 E C 2.095 178.542 176.600 -0.256 0.000 1.008 182 E CA 0.741 57.004 56.400 -0.228 0.000 0.852 182 E CB -0.239 29.384 29.700 -0.128 0.000 0.783 182 E HN 0.685 nan 8.360 nan 0.000 0.505 183 N N 0.755 119.247 118.700 -0.346 0.000 2.300 183 N HA -0.088 4.652 4.740 -0.000 0.000 0.179 183 N C 1.915 177.154 175.510 -0.451 0.000 1.016 183 N CA 1.132 53.937 53.050 -0.407 0.000 0.876 183 N CB 0.126 38.408 38.487 -0.341 0.000 0.979 183 N HN 0.111 nan 8.380 nan 0.000 0.432 184 G N -0.147 108.504 108.800 -0.249 0.000 2.396 184 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 184 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 184 G C 0.527 175.463 174.900 0.060 0.000 1.166 184 G CA -0.044 45.054 45.100 -0.005 0.000 0.793 184 G HN 0.317 nan 8.290 nan 0.000 0.533 185 F N 2.390 122.219 119.950 -0.201 0.000 2.752 185 F HA 0.414 4.941 4.527 0.000 0.000 0.332 185 F C -0.619 175.108 175.800 -0.122 0.000 1.188 185 F CA -1.861 56.034 58.000 -0.174 0.000 1.296 185 F CB -0.045 38.777 39.000 -0.298 0.000 1.526 185 F HN -0.081 nan 8.300 nan 0.000 0.576 186 D N 0.920 121.239 120.400 -0.135 0.000 2.620 186 D HA 0.094 4.734 4.640 -0.000 0.000 0.252 186 D C 0.965 177.322 176.300 0.096 0.000 1.207 186 D CA 0.010 53.969 54.000 -0.069 0.000 0.884 186 D CB 1.761 42.544 40.800 -0.029 0.000 1.262 186 D HN 0.313 nan 8.370 nan 0.000 0.552 187 T N -0.391 114.131 114.554 -0.053 0.000 3.113 187 T HA -0.050 4.300 4.350 -0.000 0.000 0.256 187 T C 1.275 176.040 174.700 0.109 0.000 1.131 187 T CA 1.253 63.359 62.100 0.010 0.000 1.074 187 T CB -0.077 68.729 68.868 -0.104 0.000 0.944 187 T HN 0.370 nan 8.240 nan 0.000 0.516 188 T N -1.135 113.495 114.554 0.127 0.000 3.043 188 T HA 0.133 4.483 4.350 -0.000 0.000 0.272 188 T C 1.653 176.456 174.700 0.171 0.000 0.990 188 T CA 0.114 62.295 62.100 0.135 0.000 0.897 188 T CB -0.439 68.552 68.868 0.204 0.000 1.111 188 T HN 0.654 nan 8.240 nan 0.000 0.529 189 H N 2.697 121.840 119.070 0.122 0.000 2.524 189 H HA 0.064 4.620 4.556 -0.000 0.000 0.282 189 H C 1.927 177.339 175.328 0.140 0.000 1.016 189 H CA 1.099 57.212 56.048 0.109 0.000 1.270 189 H CB -0.589 29.198 29.762 0.041 0.000 1.394 189 H HN 0.641 nan 8.280 nan 0.000 0.568 190 I N -1.852 118.436 120.570 -0.470 0.000 2.800 190 I HA -0.184 3.986 4.170 -0.000 0.000 0.266 190 I C 2.226 178.410 176.117 0.113 0.000 1.249 190 I CA 0.864 62.061 61.300 -0.173 0.000 1.458 190 I CB -1.049 36.909 38.000 -0.070 0.000 1.093 190 I HN 0.003 nan 8.210 nan 0.000 0.466 191 F N 3.627 123.559 119.950 -0.029 0.000 2.161 191 F HA -0.242 4.285 4.527 -0.000 0.000 0.300 191 F C 2.368 178.209 175.800 0.069 0.000 1.089 191 F CA 2.285 60.336 58.000 0.084 0.000 1.282 191 F CB -0.322 38.702 39.000 0.040 0.000 1.010 191 F HN 0.233 nan 8.300 nan 0.000 0.485 192 M N -1.229 118.274 119.600 -0.161 0.000 2.460 192 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 192 M C 0.931 177.047 176.300 -0.306 0.000 1.071 192 M CA 1.627 56.739 55.300 -0.313 0.000 1.096 192 M CB -0.795 31.627 32.600 -0.296 0.000 1.408 192 M HN 0.072 nan 8.290 nan 0.000 0.463 193 H N 1.535 120.563 119.070 -0.069 0.000 2.539 193 H HA 0.167 4.723 4.556 0.000 0.000 0.269 193 H C 1.835 177.201 175.328 0.062 0.000 0.980 193 H CA 0.742 56.723 56.048 -0.111 0.000 1.152 193 H CB -0.289 29.304 29.762 -0.282 0.000 1.407 193 H HN 0.649 nan 8.280 nan 0.000 0.564 194 R N 0.906 121.527 120.500 0.202 0.000 2.170 194 R HA -0.111 4.229 4.340 -0.000 0.000 0.242 194 R C 0.498 176.905 176.300 0.179 0.000 1.145 194 R CA 1.732 57.984 56.100 0.253 0.000 0.984 194 R CB -0.404 30.050 30.300 0.257 0.000 0.869 194 R HN 0.208 nan 8.270 nan 0.000 0.455 195 N N 0.581 119.346 118.700 0.108 0.000 2.235 195 N HA 0.011 4.751 4.740 -0.000 0.000 0.209 195 N C -0.619 174.961 175.510 0.118 0.000 1.122 195 N CA -0.264 52.846 53.050 0.100 0.000 0.845 195 N CB 0.899 39.423 38.487 0.063 0.000 1.004 195 N HN 0.131 nan 8.380 nan 0.000 0.499 196 S N 1.996 117.781 115.700 0.142 0.000 2.549 196 S HA 0.079 4.549 4.470 -0.000 0.000 0.286 196 S C -1.221 173.503 174.600 0.206 0.000 1.314 196 S CA -1.327 56.980 58.200 0.179 0.000 1.062 196 S CB 0.667 63.992 63.200 0.207 0.000 0.865 196 S HN 0.155 nan 8.310 nan 0.000 0.498 197 P HA -0.071 nan 4.420 nan 0.000 0.231 197 P C 1.225 178.666 177.300 0.234 0.000 1.158 197 P CA 0.681 63.889 63.100 0.180 0.000 0.763 197 P CB -0.103 31.693 31.700 0.160 0.000 0.805 198 W N 0.875 122.238 121.300 0.106 0.000 2.518 198 W HA -0.089 4.571 4.660 -0.000 0.000 0.273 198 W C 1.389 177.921 176.519 0.021 0.000 1.247 198 W CA 0.366 57.758 57.345 0.079 0.000 1.288 198 W CB -0.142 29.401 29.460 0.138 0.000 1.107 198 W HN -0.246 nan 8.180 nan 0.000 0.586 199 V N 1.697 121.623 119.914 0.020 0.000 2.261 199 V HA -0.359 3.761 4.120 -0.000 0.000 0.246 199 V C 2.620 178.622 176.094 -0.154 0.000 1.047 199 V CA 2.794 65.029 62.300 -0.108 0.000 1.015 199 V CB -1.251 30.602 31.823 0.049 0.000 0.642 199 V HN 0.296 nan 8.190 nan 0.000 0.446 200 S N 0.420 116.077 115.700 -0.072 0.000 2.414 200 S HA 0.005 4.475 4.470 -0.000 0.000 0.227 200 S C 2.078 176.593 174.600 -0.142 0.000 1.022 200 S CA 0.955 59.109 58.200 -0.075 0.000 0.958 200 S CB -0.556 62.637 63.200 -0.013 0.000 0.797 200 S HN 0.533 nan 8.310 nan 0.000 0.493 201 G N 1.803 110.505 108.800 -0.163 0.000 2.432 201 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 201 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 201 G C 1.217 175.867 174.900 -0.417 0.000 1.135 201 G CA 0.880 45.865 45.100 -0.193 0.000 0.767 201 G HN 0.596 nan 8.290 nan 0.000 0.550 202 N N -0.266 117.996 118.700 -0.729 0.000 2.351 202 N HA 0.071 4.811 4.740 -0.000 0.000 0.254 202 N C 0.302 175.548 175.510 -0.441 0.000 1.241 202 N CA -0.484 52.106 53.050 -0.766 0.000 0.883 202 N CB -0.150 37.431 38.487 -1.511 0.000 1.202 202 N HN 0.222 nan 8.380 nan 0.000 0.512 203 R N 0.079 120.401 120.500 -0.296 0.000 3.266 203 R HA -0.196 4.144 4.340 -0.000 0.000 0.245 203 R C -0.499 175.719 176.300 -0.137 0.000 0.941 203 R CA 0.448 56.449 56.100 -0.166 0.000 0.638 203 R CB -2.255 27.975 30.300 -0.116 0.000 1.019 203 R HN 0.318 nan 8.270 nan 0.000 0.462 204 L N 0.399 121.524 121.223 -0.163 0.000 2.417 204 L HA 0.359 4.699 4.340 -0.000 0.000 0.268 204 L C 1.089 178.017 176.870 0.097 0.000 1.158 204 L CA -0.209 54.601 54.840 -0.049 0.000 0.819 204 L CB 0.892 42.905 42.059 -0.077 0.000 1.112 204 L HN 0.315 nan 8.230 nan 0.000 0.458 205 A N 3.535 126.457 122.820 0.170 0.000 2.621 205 A HA 0.400 4.720 4.320 -0.000 0.000 0.329 205 A C -0.855 177.005 177.584 0.460 0.000 1.458 205 A CA -0.120 52.063 52.037 0.243 0.000 1.052 205 A CB -0.522 18.581 19.000 0.171 0.000 1.142 205 A HN 0.462 nan 8.150 nan 0.000 0.523 206 F N 5.776 125.885 119.950 0.264 0.000 2.382 206 F HA 0.504 5.031 4.527 -0.000 0.000 0.361 206 F C -2.111 173.641 175.800 -0.080 0.000 1.109 206 F CA -2.206 55.885 58.000 0.151 0.000 1.031 206 F CB 1.971 41.069 39.000 0.163 0.000 1.234 206 F HN 0.402 nan 8.300 nan 0.000 0.445 207 P HA 0.088 nan 4.420 nan 0.000 0.277 207 P C -0.111 176.637 177.300 -0.919 0.000 1.271 207 P CA -0.039 62.272 63.100 -1.315 0.000 0.795 207 P CB 1.141 31.698 31.700 -1.906 0.000 1.101 208 Y N -0.890 119.160 120.300 -0.416 0.000 2.519 208 Y HA 0.320 4.870 4.550 0.000 0.000 0.287 208 Y C 1.713 177.498 175.900 -0.190 0.000 1.128 208 Y CA 1.129 59.159 58.100 -0.117 0.000 1.282 208 Y CB -0.323 38.184 38.460 0.079 0.000 1.027 208 Y HN 0.551 nan 8.280 nan 0.000 0.551 209 G N -1.624 106.965 108.800 -0.350 0.000 2.489 209 G HA2 0.437 4.397 3.960 -0.000 0.000 0.291 209 G HA3 0.437 4.397 3.960 -0.000 0.000 0.291 209 G C -2.071 172.512 174.900 -0.527 0.000 1.487 209 G CA -0.957 43.961 45.100 -0.303 0.000 0.795 209 G HN -0.149 nan 8.290 nan 0.000 0.513 210 F N 0.429 120.317 119.950 -0.102 0.000 2.477 210 F HA 0.582 5.109 4.527 0.000 0.000 0.335 210 F C 0.257 176.164 175.800 0.178 0.000 1.130 210 F CA -0.771 57.215 58.000 -0.023 0.000 0.948 210 F CB 2.529 41.401 39.000 -0.214 0.000 1.154 210 F HN 0.268 nan 8.300 nan 0.000 0.439 211 V N 5.126 125.242 119.914 0.336 0.000 2.398 211 V HA 0.381 4.501 4.120 -0.000 0.000 0.286 211 V C -2.240 173.827 176.094 -0.045 0.000 1.026 211 V CA -2.408 59.976 62.300 0.141 0.000 0.868 211 V CB 1.630 33.471 31.823 0.029 0.000 0.982 211 V HN 0.474 nan 8.190 nan 0.000 0.443 212 P HA 0.107 nan 4.420 nan 0.000 0.262 212 P C 0.176 177.218 177.300 -0.430 0.000 1.199 212 P CA 0.466 63.039 63.100 -0.877 0.000 0.763 212 P CB 0.935 32.288 31.700 -0.577 0.000 0.790 213 A N 3.374 125.964 122.820 -0.384 0.000 1.983 213 A HA 0.110 4.430 4.320 -0.000 0.000 0.207 213 A C 0.811 178.310 177.584 -0.142 0.000 1.412 213 A CA 0.833 52.766 52.037 -0.174 0.000 0.750 213 A CB -0.534 18.418 19.000 -0.080 0.000 1.047 213 A HN 0.472 nan 8.150 nan 0.000 0.504 214 D N -2.177 118.138 120.400 -0.142 0.000 2.388 214 D HA 0.479 5.119 4.640 -0.000 0.000 0.254 214 D C 0.957 177.193 176.300 -0.106 0.000 1.111 214 D CA -0.426 53.518 54.000 -0.093 0.000 0.993 214 D CB 0.924 41.693 40.800 -0.052 0.000 1.118 214 D HN -0.083 nan 8.370 nan 0.000 0.502 215 R N 0.060 120.517 120.500 -0.071 0.000 2.235 215 R HA 0.086 4.426 4.340 -0.000 0.000 0.213 215 R C 0.236 176.500 176.300 -0.061 0.000 1.059 215 R CA 0.827 56.888 56.100 -0.065 0.000 0.997 215 R CB 0.032 30.304 30.300 -0.046 0.000 0.884 215 R HN 0.403 nan 8.270 nan 0.000 0.462 216 D N -0.453 119.918 120.400 -0.048 0.000 2.427 216 D HA 0.169 4.809 4.640 -0.000 0.000 0.224 216 D C 0.918 177.210 176.300 -0.013 0.000 1.157 216 D CA 0.219 54.202 54.000 -0.028 0.000 0.828 216 D CB 0.694 41.489 40.800 -0.008 0.000 0.974 216 D HN 0.146 nan 8.370 nan 0.000 0.498 217 A N 0.306 123.090 122.820 -0.060 0.000 1.933 217 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 217 A C 1.144 178.789 177.584 0.103 0.000 1.175 217 A CA 0.969 52.972 52.037 -0.056 0.000 0.628 217 A CB 0.002 18.755 19.000 -0.413 0.000 0.814 217 A HN 0.187 nan 8.150 nan 0.000 0.444 218 M N -1.076 118.539 119.600 0.025 0.000 2.393 218 M HA 0.446 4.926 4.480 -0.000 0.000 0.316 218 M C -0.695 175.592 176.300 -0.021 0.000 1.087 218 M CA -0.095 55.233 55.300 0.048 0.000 0.937 218 M CB 2.363 34.985 32.600 0.038 0.000 1.668 218 M HN 0.304 nan 8.290 nan 0.000 0.438 219 Q N 2.118 121.887 119.800 -0.052 0.000 2.323 219 Q HA 0.620 4.960 4.340 -0.000 0.000 0.271 219 Q C -1.855 173.947 176.000 -0.331 0.000 1.048 219 Q CA -0.671 55.007 55.803 -0.209 0.000 0.792 219 Q CB 2.579 31.153 28.738 -0.274 0.000 1.280 219 Q HN 0.637 nan 8.270 nan 0.000 0.441 220 V N 4.111 123.818 119.914 -0.345 0.000 2.439 220 V HA 0.283 4.403 4.120 -0.000 0.000 0.282 220 V C -1.035 174.798 176.094 -0.435 0.000 1.039 220 V CA -0.388 61.730 62.300 -0.303 0.000 0.913 220 V CB 0.722 32.442 31.823 -0.172 0.000 0.983 220 V HN 0.678 nan 8.190 nan 0.000 0.460 221 Y N 3.190 123.419 120.300 -0.118 0.000 2.593 221 Y HA 0.361 4.911 4.550 -0.000 0.000 0.331 221 Y C 0.480 176.330 175.900 -0.084 0.000 0.986 221 Y CA -1.263 56.808 58.100 -0.049 0.000 1.262 221 Y CB 0.762 39.257 38.460 0.058 0.000 1.098 221 Y HN 0.867 nan 8.280 nan 0.000 0.506 222 D N -1.089 119.300 120.400 -0.018 0.000 2.538 222 D HA 0.104 4.744 4.640 -0.000 0.000 0.231 222 D C -0.407 175.797 176.300 -0.160 0.000 1.229 222 D CA -0.198 53.732 54.000 -0.117 0.000 0.828 222 D CB 0.220 40.943 40.800 -0.128 0.000 1.035 222 D HN 0.352 nan 8.370 nan 0.000 0.495 223 E N 0.968 121.111 120.200 -0.095 0.000 2.155 223 E HA 0.396 4.746 4.350 -0.000 0.000 0.264 223 E C -0.472 176.049 176.600 -0.131 0.000 0.886 223 E CA -0.646 55.687 56.400 -0.111 0.000 0.752 223 E CB 1.047 30.724 29.700 -0.037 0.000 1.133 223 E HN 0.179 nan 8.360 nan 0.000 0.414 224 N N 1.169 119.720 118.700 -0.248 0.000 6.891 224 N HA -0.231 4.509 4.740 -0.000 0.000 0.420 224 N C -1.343 173.943 175.510 -0.373 0.000 0.939 224 N CA 0.707 53.627 53.050 -0.216 0.000 1.300 224 N CB -0.299 38.173 38.487 -0.026 0.000 0.824 224 N HN 0.385 nan 8.380 nan 0.000 0.284 225 W N 0.852 122.173 121.300 0.035 0.000 2.781 225 W HA 0.567 5.227 4.660 -0.000 0.000 0.345 225 W C -1.870 174.659 176.519 0.018 0.000 1.085 225 W CA -0.996 56.375 57.345 0.044 0.000 1.198 225 W CB 0.524 29.986 29.460 0.002 0.000 1.423 225 W HN 0.329 nan 8.180 nan 0.000 0.532 226 P HA 0.309 nan 4.420 nan 0.000 0.274 226 P C -1.194 176.401 177.300 0.492 0.000 1.246 226 P CA -0.308 63.063 63.100 0.451 0.000 0.795 226 P CB 1.321 33.143 31.700 0.202 0.000 1.006 227 K N 0.108 120.842 120.400 0.556 0.000 2.259 227 K HA 0.758 5.078 4.320 -0.000 0.000 0.252 227 K C 0.068 176.865 176.600 0.328 0.000 0.936 227 K CA -0.672 55.801 56.287 0.310 0.000 0.810 227 K CB 2.108 34.568 32.500 -0.067 0.000 1.143 227 K HN 0.797 nan 8.250 nan 0.000 0.427 228 G N 0.158 108.909 108.800 -0.081 0.000 2.490 228 G HA2 0.446 4.406 3.960 -0.000 0.000 0.308 228 G HA3 0.446 4.406 3.960 -0.000 0.000 0.308 228 G C -1.813 172.753 174.900 -0.558 0.000 1.286 228 G CA -0.556 44.183 45.100 -0.602 0.000 0.825 228 G HN 0.308 nan 8.290 nan 0.000 0.479 229 V N 1.101 120.607 119.914 -0.681 0.000 2.588 229 V HA 0.669 4.789 4.120 -0.000 0.000 0.304 229 V C -0.773 175.159 176.094 -0.270 0.000 1.042 229 V CA -0.825 61.278 62.300 -0.328 0.000 0.877 229 V CB 1.671 33.420 31.823 -0.122 0.000 0.996 229 V HN 0.759 nan 8.190 nan 0.000 0.425 230 L N 3.707 124.929 121.223 -0.002 0.000 2.341 230 L HA 0.707 5.047 4.340 -0.000 0.000 0.278 230 L C -1.221 175.763 176.870 0.189 0.000 1.005 230 L CA -0.104 54.827 54.840 0.151 0.000 0.818 230 L CB 1.923 44.164 42.059 0.304 0.000 1.259 230 L HN 0.605 nan 8.230 nan 0.000 0.418 231 D N 5.093 125.604 120.400 0.186 0.000 2.280 231 D HA 0.327 4.967 4.640 -0.000 0.000 0.236 231 D C 0.049 176.356 176.300 0.012 0.000 1.082 231 D CA -0.134 53.919 54.000 0.088 0.000 0.834 231 D CB 1.301 42.002 40.800 -0.166 0.000 1.100 231 D HN 0.366 nan 8.370 nan 0.000 0.486 232 R N 3.024 123.597 120.500 0.122 0.000 3.235 232 R HA 0.212 4.551 4.340 -0.000 0.000 0.232 232 R C 1.292 177.623 176.300 0.052 0.000 1.475 232 R CA -0.192 55.954 56.100 0.076 0.000 1.405 232 R CB 0.315 30.685 30.300 0.116 0.000 1.266 232 R HN 0.385 nan 8.270 nan 0.000 0.650 233 L N 0.411 121.468 121.223 -0.278 0.000 2.012 233 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 233 L C 2.538 179.296 176.870 -0.187 0.000 1.073 233 L CA 1.970 56.469 54.840 -0.567 0.000 0.748 233 L CB -0.589 40.794 42.059 -1.127 0.000 0.891 233 L HN 0.517 nan 8.230 nan 0.000 0.431 234 S N -0.637 114.999 115.700 -0.106 0.000 2.368 234 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 234 S C 1.709 176.359 174.600 0.082 0.000 1.029 234 S CA 1.027 59.245 58.200 0.030 0.000 0.988 234 S CB -0.272 62.946 63.200 0.030 0.000 0.838 234 S HN 0.480 nan 8.310 nan 0.000 0.462 235 E N 1.729 121.973 120.200 0.073 0.000 2.021 235 E HA 0.060 4.410 4.350 -0.000 0.000 0.189 235 E C 0.959 177.618 176.600 0.098 0.000 0.980 235 E CA 0.926 57.374 56.400 0.081 0.000 0.803 235 E CB -0.117 29.624 29.700 0.068 0.000 0.766 235 E HN 0.520 nan 8.360 nan 0.000 0.449 236 N N -0.283 118.498 118.700 0.135 0.000 2.273 236 N HA 0.106 4.846 4.740 -0.000 0.000 0.231 236 N C -1.085 174.465 175.510 0.067 0.000 1.134 236 N CA 0.132 53.236 53.050 0.089 0.000 0.856 236 N CB 0.686 39.193 38.487 0.033 0.000 1.068 236 N HN 0.063 nan 8.380 nan 0.000 0.510 237 Y N 0.358 120.672 120.300 0.023 0.000 2.536 237 Y HA 0.408 4.958 4.550 -0.000 0.000 0.347 237 Y C 0.083 176.051 175.900 0.113 0.000 1.000 237 Y CA -0.907 57.229 58.100 0.060 0.000 1.051 237 Y CB 1.915 40.421 38.460 0.077 0.000 1.259 237 Y HN -0.128 nan 8.280 nan 0.000 0.468 238 M N 7.015 126.760 119.600 0.240 0.000 2.088 238 M HA 0.442 4.922 4.480 -0.000 0.000 0.346 238 M C -2.853 173.530 176.300 0.137 0.000 1.111 238 M CA -1.766 53.630 55.300 0.159 0.000 1.017 238 M CB 1.176 33.820 32.600 0.075 0.000 1.568 238 M HN 0.279 nan 8.290 nan 0.000 0.445 239 P HA 0.178 nan 4.420 nan 0.000 0.279 239 P C -1.142 175.956 177.300 -0.337 0.000 1.239 239 P CA -0.374 62.529 63.100 -0.327 0.000 0.789 239 P CB 1.265 32.739 31.700 -0.377 0.000 0.933 240 V N 4.430 124.053 119.914 -0.485 0.000 2.318 240 V HA 0.173 4.293 4.120 -0.000 0.000 0.271 240 V C 0.621 176.521 176.094 -0.322 0.000 1.030 240 V CA 0.056 62.219 62.300 -0.228 0.000 0.844 240 V CB -0.171 31.608 31.823 -0.073 0.000 1.015 240 V HN 0.436 nan 8.190 nan 0.000 0.460 241 F N 1.712 121.652 119.950 -0.016 0.000 2.695 241 F HA 0.355 4.882 4.527 -0.000 0.000 0.303 241 F C 1.108 177.015 175.800 0.178 0.000 1.091 241 F CA -0.038 57.924 58.000 -0.063 0.000 1.300 241 F CB 0.616 39.573 39.000 -0.072 0.000 1.071 241 F HN 0.435 nan 8.300 nan 0.000 0.578 242 E N 0.011 120.454 120.200 0.405 0.000 2.308 242 E HA 0.645 4.995 4.350 -0.000 0.000 0.275 242 E C -1.105 175.625 176.600 0.217 0.000 0.890 242 E CA -0.772 55.837 56.400 0.349 0.000 0.754 242 E CB 2.293 32.117 29.700 0.207 0.000 1.207 242 E HN -0.058 nan 8.360 nan 0.000 0.426 243 A N 1.891 124.757 122.820 0.078 0.000 2.303 243 A HA 0.660 4.980 4.320 -0.000 0.000 0.320 243 A C -0.108 177.460 177.584 -0.026 0.000 1.192 243 A CA -0.562 51.447 52.037 -0.046 0.000 0.821 243 A CB 0.895 19.758 19.000 -0.228 0.000 1.188 243 A HN 0.548 nan 8.150 nan 0.000 0.492 244 T N 0.076 114.617 114.554 -0.021 0.000 2.912 244 T HA 0.750 5.100 4.350 -0.000 0.000 0.288 244 T C -0.626 174.056 174.700 -0.030 0.000 1.030 244 T CA -0.719 61.373 62.100 -0.014 0.000 1.020 244 T CB 1.316 70.186 68.868 0.003 0.000 1.056 244 T HN 0.626 nan 8.240 nan 0.000 0.480 245 L N 1.946 123.155 121.223 -0.023 0.000 2.528 245 L HA 0.322 4.662 4.340 -0.000 0.000 0.267 245 L C -1.086 175.774 176.870 -0.018 0.000 0.961 245 L CA -0.617 54.207 54.840 -0.028 0.000 0.866 245 L CB 1.403 43.442 42.059 -0.033 0.000 1.248 245 L HN 0.884 nan 8.230 nan 0.000 0.404 246 D N 4.200 124.589 120.400 -0.017 0.000 2.737 246 D HA -0.183 4.457 4.640 -0.000 0.000 0.238 246 D C 1.055 177.351 176.300 -0.007 0.000 1.157 246 D CA 1.501 55.493 54.000 -0.012 0.000 0.694 246 D CB -0.555 40.237 40.800 -0.013 0.000 1.021 246 D HN 1.126 nan 8.370 nan 0.000 0.420 247 G N -0.217 108.580 108.800 -0.004 0.000 2.166 247 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 247 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 247 G C 0.038 174.940 174.900 0.004 0.000 0.986 247 G CA 0.748 45.848 45.100 0.001 0.000 0.683 247 G HN 0.468 nan 8.290 nan 0.000 0.527 248 E N -0.104 120.097 120.200 0.002 0.000 2.293 248 E HA 0.424 4.774 4.350 -0.000 0.000 0.270 248 E C -0.436 176.169 176.600 0.008 0.000 0.879 248 E CA -0.488 55.916 56.400 0.006 0.000 0.756 248 E CB 1.481 31.183 29.700 0.004 0.000 1.208 248 E HN 0.069 nan 8.360 nan 0.000 0.428 249 T N 1.722 116.287 114.554 0.017 0.000 2.738 249 T HA 0.113 4.463 4.350 -0.000 0.000 0.293 249 T C 1.164 175.875 174.700 0.019 0.000 0.913 249 T CA -0.056 62.059 62.100 0.025 0.000 1.103 249 T CB 0.562 69.455 68.868 0.041 0.000 0.880 249 T HN 0.145 nan 8.240 nan 0.000 0.526 250 V N 4.198 124.115 119.914 0.005 0.000 3.174 250 V HA 0.277 4.397 4.120 -0.000 0.000 0.254 250 V C 0.111 176.201 176.094 -0.008 0.000 1.120 250 V CA 0.629 62.926 62.300 -0.004 0.000 1.114 250 V CB 0.190 32.001 31.823 -0.020 0.000 0.756 250 V HN 0.543 nan 8.190 nan 0.000 0.467 251 L N -0.840 120.373 121.223 -0.018 0.000 2.482 251 L HA 0.657 4.997 4.340 -0.000 0.000 0.263 251 L C -0.844 176.104 176.870 0.130 0.000 0.957 251 L CA 0.103 54.928 54.840 -0.024 0.000 0.836 251 L CB 2.145 44.026 42.059 -0.296 0.000 1.324 251 L HN -0.065 nan 8.230 nan 0.000 0.406 252 S N 2.568 118.426 115.700 0.263 0.000 2.614 252 S HA 0.804 5.274 4.470 -0.000 0.000 0.275 252 S C -0.644 174.156 174.600 0.332 0.000 1.161 252 S CA -0.061 58.334 58.200 0.324 0.000 0.969 252 S CB 1.444 64.751 63.200 0.178 0.000 1.059 252 S HN 0.873 nan 8.310 nan 0.000 0.482 253 A N 4.324 127.331 122.820 0.313 0.000 3.056 253 A HA 0.362 4.682 4.320 -0.000 0.000 0.274 253 A C 0.361 177.996 177.584 0.085 0.000 1.661 253 A CA -0.404 51.735 52.037 0.170 0.000 1.363 253 A CB -0.287 18.792 19.000 0.131 0.000 1.139 253 A HN 0.782 nan 8.150 nan 0.000 0.598 254 E N 1.386 121.633 120.200 0.079 0.000 2.924 254 E HA -0.081 4.269 4.350 -0.000 0.000 0.236 254 E C -0.459 176.127 176.600 -0.024 0.000 1.028 254 E CA 0.848 57.263 56.400 0.026 0.000 0.952 254 E CB 0.121 29.842 29.700 0.034 0.000 0.918 254 E HN 0.541 nan 8.360 nan 0.000 0.536 255 L N 2.797 123.968 121.223 -0.086 0.000 2.264 255 L HA 0.106 4.446 4.340 -0.000 0.000 0.289 255 L C 1.577 178.388 176.870 -0.099 0.000 1.044 255 L CA -0.314 54.439 54.840 -0.145 0.000 0.807 255 L CB 1.139 43.013 42.059 -0.310 0.000 1.192 255 L HN 0.407 nan 8.230 nan 0.000 0.425 256 T N 1.483 115.992 114.554 -0.076 0.000 2.985 256 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 256 T C 1.353 176.018 174.700 -0.058 0.000 1.076 256 T CA 1.146 63.214 62.100 -0.054 0.000 1.135 256 T CB 0.112 68.956 68.868 -0.041 0.000 0.890 256 T HN 1.031 nan 8.240 nan 0.000 0.480 257 G N 1.041 109.796 108.800 -0.075 0.000 2.179 257 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.220 257 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.220 257 G C 0.556 175.428 174.900 -0.047 0.000 0.990 257 G CA 0.116 45.177 45.100 -0.066 0.000 0.646 257 G HN 0.460 nan 8.290 nan 0.000 0.517 258 E N 0.510 120.684 120.200 -0.044 0.000 2.538 258 E HA 0.226 4.576 4.350 -0.000 0.000 0.207 258 E C 0.607 177.187 176.600 -0.035 0.000 1.002 258 E CA 0.014 56.395 56.400 -0.033 0.000 0.952 258 E CB 0.548 30.231 29.700 -0.030 0.000 1.031 258 E HN 0.654 nan 8.360 nan 0.000 0.476 259 E N 1.373 121.549 120.200 -0.041 0.000 2.408 259 E HA 0.070 4.420 4.350 -0.000 0.000 0.259 259 E C 0.022 176.612 176.600 -0.016 0.000 1.110 259 E CA 0.313 56.693 56.400 -0.034 0.000 0.929 259 E CB 0.753 30.435 29.700 -0.030 0.000 0.971 259 E HN -0.114 nan 8.360 nan 0.000 0.438 260 K N 1.823 122.212 120.400 -0.018 0.000 2.174 260 K HA 0.237 4.557 4.320 -0.000 0.000 0.275 260 K C -0.360 176.265 176.600 0.041 0.000 1.015 260 K CA -0.702 55.583 56.287 -0.004 0.000 0.933 260 K CB 0.764 33.243 32.500 -0.036 0.000 1.025 260 K HN 0.112 nan 8.250 nan 0.000 0.463 261 K N 2.574 123.007 120.400 0.055 0.000 2.211 261 K HA 0.308 4.628 4.320 -0.000 0.000 0.275 261 K C -0.153 176.510 176.600 0.105 0.000 1.024 261 K CA -0.428 55.918 56.287 0.099 0.000 0.887 261 K CB 1.266 33.817 32.500 0.085 0.000 1.084 261 K HN 0.528 nan 8.250 nan 0.000 0.463 262 V N -2.245 117.772 119.914 0.173 0.000 3.160 262 V HA 0.803 4.923 4.120 -0.000 0.000 0.310 262 V C -0.066 176.173 176.094 0.241 0.000 1.181 262 V CA -0.860 61.560 62.300 0.201 0.000 1.047 262 V CB 1.395 33.362 31.823 0.240 0.000 1.068 262 V HN 0.828 nan 8.190 nan 0.000 0.441 263 A N -0.060 122.896 122.820 0.228 0.000 2.578 263 A HA 0.041 4.361 4.320 -0.000 0.000 0.298 263 A C 1.447 178.979 177.584 -0.085 0.000 1.472 263 A CA 1.497 53.582 52.037 0.079 0.000 0.734 263 A CB -1.756 17.309 19.000 0.109 0.000 1.091 263 A HN 2.599 nan 8.150 nan 0.000 0.426 264 A N -0.751 122.046 122.820 -0.038 0.000 1.970 264 A HA 0.277 4.597 4.320 -0.000 0.000 0.216 264 A C 1.028 178.536 177.584 -0.127 0.000 1.170 264 A CA 1.811 53.808 52.037 -0.067 0.000 0.645 264 A CB 0.088 19.087 19.000 -0.003 0.000 0.816 264 A HN 0.920 nan 8.150 nan 0.000 0.447 265 Q N -1.684 118.061 119.800 -0.091 0.000 2.379 265 Q HA 0.593 4.933 4.340 -0.000 0.000 0.278 265 Q C -1.827 174.144 176.000 -0.048 0.000 1.068 265 Q CA -0.468 55.293 55.803 -0.070 0.000 0.816 265 Q CB 2.872 31.624 28.738 0.023 0.000 1.387 265 Q HN 0.142 nan 8.270 nan 0.000 0.413 266 V N 1.387 121.286 119.914 -0.026 0.000 2.686 266 V HA 0.833 4.953 4.120 -0.000 0.000 0.306 266 V C -1.524 174.713 176.094 0.239 0.000 1.065 266 V CA -0.131 62.209 62.300 0.066 0.000 0.894 266 V CB 2.054 33.872 31.823 -0.008 0.000 1.004 266 V HN 0.915 nan 8.190 nan 0.000 0.424 267 S N 4.803 120.645 115.700 0.238 0.000 2.579 267 S HA 0.841 5.311 4.470 -0.000 0.000 0.272 267 S C -1.291 173.164 174.600 -0.242 0.000 1.141 267 S CA -0.668 57.572 58.200 0.067 0.000 0.843 267 S CB 1.738 65.059 63.200 0.201 0.000 1.122 267 S HN 1.445 nan 8.310 nan 0.000 0.468 268 V N 1.769 121.131 119.914 -0.920 0.000 2.656 268 V HA 0.846 4.966 4.120 -0.000 0.000 0.307 268 V C -2.168 173.426 176.094 -0.833 0.000 1.051 268 V CA -0.532 61.267 62.300 -0.835 0.000 0.893 268 V CB 1.403 32.391 31.823 -1.392 0.000 0.999 268 V HN 0.964 nan 8.190 nan 0.000 0.426 269 W N 4.551 125.737 121.300 -0.191 0.000 2.936 269 W HA 0.682 5.342 4.660 0.000 0.000 0.338 269 W C -0.422 176.186 176.519 0.147 0.000 1.121 269 W CA -0.831 56.528 57.345 0.023 0.000 1.209 269 W CB 1.452 30.922 29.460 0.016 0.000 1.420 269 W HN 0.448 nan 8.180 nan 0.000 0.516 270 L N 4.690 126.213 121.223 0.501 0.000 2.483 270 L HA 0.048 4.388 4.340 -0.000 0.000 0.276 270 L C -0.812 176.200 176.870 0.237 0.000 1.213 270 L CA -0.971 54.125 54.840 0.427 0.000 0.843 270 L CB 0.688 42.982 42.059 0.392 0.000 1.107 270 L HN 0.250 nan 8.230 nan 0.000 0.487 271 P HA 0.058 nan 4.420 nan 0.000 0.245 271 P C 0.348 178.004 177.300 0.593 0.000 1.212 271 P CA 0.566 63.717 63.100 0.084 0.000 0.774 271 P CB 0.532 32.070 31.700 -0.270 0.000 0.999 272 G N -0.919 108.154 108.800 0.456 0.000 2.599 272 G HA2 0.117 4.077 3.960 -0.000 0.000 0.235 272 G HA3 0.117 4.077 3.960 -0.000 0.000 0.235 272 G C -1.087 173.944 174.900 0.219 0.000 3.235 272 G CA -0.657 44.657 45.100 0.355 0.000 0.824 272 G HN 0.052 nan 8.290 nan 0.000 0.510 273 V N 1.353 121.289 119.914 0.037 0.000 2.531 273 V HA 0.734 4.854 4.120 -0.000 0.000 0.301 273 V C 0.208 176.300 176.094 -0.003 0.000 1.034 273 V CA -1.025 61.193 62.300 -0.136 0.000 0.865 273 V CB 1.825 33.402 31.823 -0.411 0.000 0.995 273 V HN 0.581 nan 8.190 nan 0.000 0.424 274 L N 4.040 125.293 121.223 0.049 0.000 2.379 274 L HA 0.632 4.972 4.340 -0.000 0.000 0.269 274 L C -0.086 176.890 176.870 0.176 0.000 1.084 274 L CA 0.154 55.070 54.840 0.127 0.000 0.802 274 L CB 1.226 43.419 42.059 0.223 0.000 1.175 274 L HN 0.748 nan 8.230 nan 0.000 0.448 275 K N 3.195 123.701 120.400 0.176 0.000 2.637 275 K HA 0.522 4.842 4.320 -0.000 0.000 0.248 275 K C -2.046 174.568 176.600 0.024 0.000 0.971 275 K CA -0.595 55.736 56.287 0.073 0.000 0.858 275 K CB 1.400 34.029 32.500 0.216 0.000 1.170 275 K HN 0.424 nan 8.250 nan 0.000 0.443 276 V N 3.423 123.298 119.914 -0.065 0.000 2.347 276 V HA 0.300 4.420 4.120 -0.000 0.000 0.280 276 V C -0.626 175.449 176.094 -0.032 0.000 1.021 276 V CA -0.643 61.636 62.300 -0.035 0.000 0.847 276 V CB 1.273 33.044 31.823 -0.086 0.000 0.990 276 V HN 0.723 nan 8.190 nan 0.000 0.444 277 D N 7.019 127.415 120.400 -0.006 0.000 2.505 277 D HA 0.483 5.123 4.640 -0.000 0.000 0.250 277 D C -2.836 173.479 176.300 0.024 0.000 1.164 277 D CA -1.634 52.362 54.000 -0.006 0.000 0.870 277 D CB 3.279 44.072 40.800 -0.012 0.000 1.160 277 D HN 0.295 nan 8.370 nan 0.000 0.549 278 P HA 0.580 nan 4.420 nan 0.000 0.287 278 P C -1.134 176.256 177.300 0.150 0.000 1.279 278 P CA -0.667 62.455 63.100 0.036 0.000 0.867 278 P CB 1.762 33.461 31.700 -0.002 0.000 1.127 279 F N 1.425 121.312 119.950 -0.105 0.000 2.740 279 F HA 0.255 4.782 4.527 -0.000 0.000 0.312 279 F C -2.318 173.380 175.800 -0.170 0.000 1.121 279 F CA -1.462 56.478 58.000 -0.100 0.000 0.977 279 F CB 2.004 40.962 39.000 -0.070 0.000 1.265 279 F HN 0.132 nan 8.300 nan 0.000 0.443 280 P HA 0.074 nan 4.420 nan 0.000 0.255 280 P C -0.849 176.122 177.300 -0.548 0.000 1.301 280 P CA 0.910 63.234 63.100 -1.294 0.000 0.817 280 P CB 0.366 31.506 31.700 -0.932 0.000 1.259 281 D N -0.575 119.593 120.400 -0.387 0.000 2.661 281 D HA 0.184 4.824 4.640 -0.000 0.000 0.228 281 D C -2.343 173.871 176.300 -0.142 0.000 1.210 281 D CA -2.062 51.821 54.000 -0.194 0.000 0.826 281 D CB 2.654 43.337 40.800 -0.195 0.000 1.542 281 D HN -0.362 nan 8.370 nan 0.000 0.447 282 P HA -0.117 nan 4.420 nan 0.000 0.218 282 P C 1.113 178.383 177.300 -0.051 0.000 1.146 282 P CA 1.755 64.836 63.100 -0.032 0.000 0.820 282 P CB 0.067 31.765 31.700 -0.003 0.000 0.778 283 T N -4.715 109.800 114.554 -0.066 0.000 3.169 283 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 283 T C 0.409 175.003 174.700 -0.176 0.000 1.111 283 T CA 0.101 62.152 62.100 -0.082 0.000 1.010 283 T CB -0.616 68.242 68.868 -0.017 0.000 0.984 283 T HN -0.074 nan 8.240 nan 0.000 0.537 284 L N 0.185 121.279 121.223 -0.215 0.000 2.327 284 L HA 0.691 5.031 4.340 -0.000 0.000 0.258 284 L C -0.848 175.916 176.870 -0.177 0.000 1.024 284 L CA -1.533 53.150 54.840 -0.262 0.000 0.825 284 L CB 2.477 44.288 42.059 -0.414 0.000 1.386 284 L HN 0.042 nan 8.230 nan 0.000 0.417 285 I N 1.249 121.712 120.570 -0.177 0.000 2.498 285 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 285 I C -0.801 175.170 176.117 -0.244 0.000 1.032 285 I CA -0.420 60.752 61.300 -0.213 0.000 1.073 285 I CB 2.266 40.100 38.000 -0.276 0.000 1.251 285 I HN 0.584 nan 8.210 nan 0.000 0.426 286 Q N 5.375 125.055 119.800 -0.199 0.000 2.325 286 Q HA 0.447 4.787 4.340 -0.000 0.000 0.262 286 Q C -1.909 173.986 176.000 -0.176 0.000 0.968 286 Q CA -0.569 55.191 55.803 -0.073 0.000 0.877 286 Q CB 1.407 30.226 28.738 0.134 0.000 1.253 286 Q HN 0.471 nan 8.270 nan 0.000 0.448 287 Y N 1.665 122.083 120.300 0.196 0.000 2.387 287 Y HA 0.416 4.966 4.550 -0.000 0.000 0.336 287 Y C -0.223 175.787 175.900 0.183 0.000 1.067 287 Y CA -0.657 57.554 58.100 0.187 0.000 1.114 287 Y CB 1.819 40.492 38.460 0.355 0.000 1.208 287 Y HN 0.524 nan 8.280 nan 0.000 0.458 288 E N 2.716 123.014 120.200 0.165 0.000 2.272 288 E HA 0.498 4.848 4.350 -0.000 0.000 0.269 288 E C -1.710 174.724 176.600 -0.278 0.000 0.877 288 E CA -0.760 55.688 56.400 0.080 0.000 0.755 288 E CB 2.112 31.896 29.700 0.140 0.000 1.192 288 E HN 0.344 nan 8.360 nan 0.000 0.422 289 F N 0.973 120.814 119.950 -0.182 0.000 2.561 289 F HA 0.431 4.957 4.527 -0.000 0.000 0.321 289 F C -0.555 175.128 175.800 -0.196 0.000 1.065 289 F CA -0.816 57.111 58.000 -0.122 0.000 0.934 289 F CB 1.104 40.055 39.000 -0.081 0.000 1.215 289 F HN 0.373 nan 8.300 nan 0.000 0.471 290 Y N 1.108 121.754 120.300 0.576 0.000 2.535 290 Y HA 0.449 4.999 4.550 -0.000 0.000 0.351 290 Y C -0.676 175.491 175.900 0.446 0.000 1.050 290 Y CA -1.103 57.329 58.100 0.554 0.000 1.168 290 Y CB 0.463 39.089 38.460 0.276 0.000 1.116 290 Y HN 0.182 nan 8.280 nan 0.000 0.654 291 V N 3.380 123.590 119.914 0.493 0.000 2.470 291 V HA 0.177 4.297 4.120 -0.000 0.000 0.276 291 V C -2.115 174.070 176.094 0.152 0.000 1.040 291 V CA -1.960 60.446 62.300 0.177 0.000 1.008 291 V CB 0.596 32.489 31.823 0.116 0.000 0.990 291 V HN 0.316 nan 8.190 nan 0.000 0.477 292 P HA 0.199 nan 4.420 nan 0.000 0.265 292 P C 0.507 177.808 177.300 0.002 0.000 1.193 292 P CA 0.327 63.414 63.100 -0.021 0.000 0.765 292 P CB 0.808 32.299 31.700 -0.348 0.000 0.823 293 I N 0.298 120.922 120.570 0.089 0.000 3.132 293 I HA 0.023 4.193 4.170 -0.000 0.000 0.255 293 I C 1.150 177.290 176.117 0.039 0.000 1.118 293 I CA 0.785 62.117 61.300 0.054 0.000 1.463 293 I CB 0.141 38.188 38.000 0.078 0.000 1.356 293 I HN 0.412 nan 8.210 nan 0.000 0.463 294 S N -0.609 115.137 115.700 0.076 0.000 2.851 294 S HA 0.345 4.815 4.470 -0.000 0.000 0.313 294 S C 0.215 174.879 174.600 0.107 0.000 1.163 294 S CA -0.603 57.638 58.200 0.068 0.000 0.850 294 S CB 1.515 64.754 63.200 0.064 0.000 1.245 294 S HN 0.012 nan 8.310 nan 0.000 0.558 295 E N 0.980 121.238 120.200 0.097 0.000 2.268 295 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 295 E C 1.404 178.093 176.600 0.149 0.000 0.995 295 E CA 1.588 58.061 56.400 0.121 0.000 0.836 295 E CB -0.236 29.517 29.700 0.090 0.000 0.763 295 E HN 0.811 nan 8.360 nan 0.000 0.491 296 T N -3.284 111.352 114.554 0.138 0.000 3.084 296 T HA 0.273 4.623 4.350 -0.000 0.000 0.270 296 T C 0.311 175.114 174.700 0.171 0.000 1.008 296 T CA -0.491 61.697 62.100 0.146 0.000 0.900 296 T CB 0.258 69.192 68.868 0.110 0.000 1.084 296 T HN -0.112 nan 8.240 nan 0.000 0.538 297 Q N 1.154 121.069 119.800 0.193 0.000 2.456 297 Q HA 0.517 4.857 4.340 -0.000 0.000 0.284 297 Q C -1.207 174.968 176.000 0.292 0.000 1.061 297 Q CA -1.141 54.778 55.803 0.194 0.000 0.799 297 Q CB 2.149 30.951 28.738 0.107 0.000 1.445 297 Q HN 0.627 nan 8.270 nan 0.000 0.411 298 H N -0.938 118.244 119.070 0.187 0.000 3.016 298 H HA 0.511 5.067 4.556 -0.000 0.000 0.362 298 H C -1.457 174.011 175.328 0.233 0.000 1.233 298 H CA -0.949 55.239 56.048 0.234 0.000 1.124 298 H CB 1.950 31.923 29.762 0.352 0.000 1.850 298 H HN 0.594 nan 8.280 nan 0.000 0.549 299 E N 1.556 121.948 120.200 0.321 0.000 2.081 299 E HA 0.165 4.515 4.350 -0.000 0.000 0.281 299 E C -1.621 175.245 176.600 0.443 0.000 0.986 299 E CA -0.660 55.875 56.400 0.224 0.000 0.796 299 E CB 0.252 30.079 29.700 0.212 0.000 1.085 299 E HN 0.415 nan 8.360 nan 0.000 0.398 300 Y N 6.188 126.567 120.300 0.132 0.000 2.425 300 Y HA 0.366 4.916 4.550 -0.000 0.000 0.347 300 Y C -1.509 174.455 175.900 0.106 0.000 0.976 300 Y CA -1.226 57.006 58.100 0.220 0.000 1.190 300 Y CB -0.052 38.515 38.460 0.180 0.000 1.136 300 Y HN 0.389 nan 8.280 nan 0.000 0.517 301 F N 4.214 124.168 119.950 0.008 0.000 2.421 301 F HA 0.515 5.042 4.527 0.000 0.000 0.337 301 F C -0.263 175.459 175.800 -0.131 0.000 1.105 301 F CA -0.611 57.361 58.000 -0.047 0.000 1.049 301 F CB 1.696 40.713 39.000 0.028 0.000 1.139 301 F HN 0.355 nan 8.300 nan 0.000 0.479 302 Q N 2.481 122.324 119.800 0.070 0.000 2.303 302 Q HA 0.610 4.950 4.340 -0.000 0.000 0.267 302 Q C -1.522 174.650 176.000 0.286 0.000 1.011 302 Q CA -0.664 55.187 55.803 0.079 0.000 0.740 302 Q CB 2.726 31.378 28.738 -0.143 0.000 1.250 302 Q HN 0.399 nan 8.270 nan 0.000 0.458 303 V N 3.969 124.128 119.914 0.408 0.000 2.444 303 V HA 0.459 4.579 4.120 -0.000 0.000 0.294 303 V C -0.401 175.902 176.094 0.349 0.000 1.022 303 V CA -0.722 61.826 62.300 0.413 0.000 0.850 303 V CB 1.447 33.610 31.823 0.567 0.000 0.992 303 V HN 0.664 nan 8.190 nan 0.000 0.426 304 L N 4.431 125.806 121.223 0.253 0.000 2.289 304 L HA 0.602 4.942 4.340 -0.000 0.000 0.285 304 L C -0.057 176.956 176.870 0.239 0.000 1.049 304 L CA -0.224 54.755 54.840 0.231 0.000 0.804 304 L CB 1.587 43.814 42.059 0.281 0.000 1.195 304 L HN 0.689 nan 8.230 nan 0.000 0.428 305 Q N 3.401 123.249 119.800 0.081 0.000 2.316 305 Q HA 0.549 4.889 4.340 -0.000 0.000 0.264 305 Q C -1.081 174.745 176.000 -0.290 0.000 0.987 305 Q CA -0.908 54.870 55.803 -0.041 0.000 0.852 305 Q CB 2.225 31.013 28.738 0.083 0.000 1.287 305 Q HN 0.507 nan 8.270 nan 0.000 0.448 306 R N 2.628 122.830 120.500 -0.498 0.000 2.628 306 R HA 0.368 4.708 4.340 -0.000 0.000 0.288 306 R C -1.408 174.701 176.300 -0.318 0.000 0.980 306 R CA -0.620 55.118 56.100 -0.603 0.000 0.891 306 R CB 1.125 30.623 30.300 -1.338 0.000 1.188 306 R HN 0.377 nan 8.270 nan 0.000 0.450 307 K N 2.923 123.200 120.400 -0.205 0.000 2.350 307 K HA 0.292 4.612 4.320 -0.000 0.000 0.279 307 K C -0.299 176.245 176.600 -0.093 0.000 1.027 307 K CA -0.190 56.030 56.287 -0.113 0.000 0.969 307 K CB 0.988 33.441 32.500 -0.079 0.000 0.954 307 K HN 0.540 nan 8.250 nan 0.000 0.474 308 V N -0.763 119.122 119.914 -0.050 0.000 2.925 308 V HA 0.345 4.465 4.120 -0.000 0.000 0.311 308 V C 0.562 176.648 176.094 -0.013 0.000 1.104 308 V CA -0.837 61.448 62.300 -0.024 0.000 0.954 308 V CB 1.952 33.773 31.823 -0.004 0.000 1.022 308 V HN 0.777 nan 8.190 nan 0.000 0.427 309 E N 2.744 122.939 120.200 -0.008 0.000 2.431 309 E HA 0.564 4.914 4.350 -0.000 0.000 0.200 309 E C 0.634 177.232 176.600 -0.004 0.000 0.995 309 E CA 0.968 57.364 56.400 -0.006 0.000 0.915 309 E CB 0.829 30.527 29.700 -0.004 0.000 0.930 309 E HN 1.399 nan 8.360 nan 0.000 0.496 310 G N -0.036 108.761 108.800 -0.005 0.000 2.548 310 G HA2 0.256 4.216 3.960 -0.000 0.000 0.301 310 G HA3 0.256 4.216 3.960 -0.000 0.000 0.301 310 G C -2.377 172.514 174.900 -0.016 0.000 1.349 310 G CA -0.486 44.610 45.100 -0.007 0.000 0.792 310 G HN -0.137 nan 8.290 nan 0.000 0.481 311 P HA -0.034 nan 4.420 nan 0.000 0.228 311 P C 0.895 178.180 177.300 -0.025 0.000 1.151 311 P CA 1.022 64.103 63.100 -0.032 0.000 0.770 311 P CB 0.590 32.276 31.700 -0.023 0.000 0.786 312 E N 0.595 120.790 120.200 -0.009 0.000 2.076 312 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 312 E C 1.710 178.319 176.600 0.016 0.000 0.979 312 E CA 1.095 57.496 56.400 0.002 0.000 0.807 312 E CB -0.566 29.137 29.700 0.006 0.000 0.761 312 E HN 0.081 nan 8.360 nan 0.000 0.454 313 D N -0.405 120.005 120.400 0.017 0.000 2.178 313 D HA -0.109 4.531 4.640 -0.000 0.000 0.202 313 D C 1.954 178.296 176.300 0.069 0.000 0.974 313 D CA 0.772 54.797 54.000 0.041 0.000 0.841 313 D CB -0.026 40.787 40.800 0.022 0.000 0.953 313 D HN 0.096 nan 8.370 nan 0.000 0.478 314 V N 1.217 121.135 119.914 0.007 0.000 2.261 314 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 314 V C 2.514 178.610 176.094 0.003 0.000 1.047 314 V CA 1.577 63.843 62.300 -0.056 0.000 1.015 314 V CB -0.398 31.263 31.823 -0.271 0.000 0.642 314 V HN 0.135 nan 8.190 nan 0.000 0.446 315 K N -0.447 119.948 120.400 -0.008 0.000 2.097 315 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 315 K C 2.146 178.782 176.600 0.059 0.000 1.049 315 K CA 1.879 58.172 56.287 0.010 0.000 0.933 315 K CB -0.227 32.273 32.500 0.001 0.000 0.717 315 K HN 0.516 nan 8.250 nan 0.000 0.442 316 T N 0.683 115.293 114.554 0.092 0.000 2.821 316 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 316 T C 1.301 176.142 174.700 0.235 0.000 1.046 316 T CA 1.080 63.256 62.100 0.126 0.000 1.139 316 T CB -0.288 68.650 68.868 0.117 0.000 0.871 316 T HN 0.238 nan 8.240 nan 0.000 0.454 317 F N 2.364 122.377 119.950 0.106 0.000 2.146 317 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 317 F C 2.100 178.040 175.800 0.233 0.000 1.096 317 F CA 0.996 59.118 58.000 0.204 0.000 1.275 317 F CB -0.543 38.558 39.000 0.168 0.000 1.008 317 F HN 0.209 nan 8.300 nan 0.000 0.480 318 E N -0.337 119.871 120.200 0.013 0.000 2.110 318 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 318 E C 2.366 178.983 176.600 0.028 0.000 0.988 318 E CA 1.464 57.811 56.400 -0.087 0.000 0.804 318 E CB -0.383 29.295 29.700 -0.036 0.000 0.745 318 E HN 0.301 nan 8.360 nan 0.000 0.458 319 V N 1.637 121.579 119.914 0.046 0.000 2.307 319 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 319 V C 2.058 178.145 176.094 -0.012 0.000 1.045 319 V CA 1.827 64.140 62.300 0.021 0.000 1.024 319 V CB -0.412 31.419 31.823 0.014 0.000 0.651 319 V HN 0.223 nan 8.190 nan 0.000 0.449 320 E N -0.565 119.635 120.200 0.001 0.000 2.085 320 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 320 E C 2.047 178.496 176.600 -0.251 0.000 0.994 320 E CA 1.603 57.875 56.400 -0.213 0.000 0.801 320 E CB -0.264 29.322 29.700 -0.190 0.000 0.743 320 E HN 0.590 nan 8.360 nan 0.000 0.453 321 F N 2.270 122.173 119.950 -0.078 0.000 2.046 321 F HA -0.260 4.267 4.527 0.000 0.000 0.297 321 F C 2.419 178.181 175.800 -0.063 0.000 1.123 321 F CA 2.078 60.085 58.000 0.012 0.000 1.199 321 F CB -0.148 38.719 39.000 -0.222 0.000 0.972 321 F HN -0.101 nan 8.300 nan 0.000 0.474 322 E N 0.409 120.614 120.200 0.009 0.000 2.110 322 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 322 E C 1.898 178.416 176.600 -0.136 0.000 0.988 322 E CA 2.005 58.359 56.400 -0.076 0.000 0.804 322 E CB -0.337 29.372 29.700 0.015 0.000 0.745 322 E HN 0.650 nan 8.360 nan 0.000 0.458 323 E N -0.953 119.162 120.200 -0.140 0.000 2.340 323 E HA 0.067 4.417 4.350 -0.000 0.000 0.194 323 E C 1.944 178.433 176.600 -0.185 0.000 0.996 323 E CA 0.317 56.630 56.400 -0.145 0.000 0.869 323 E CB 0.443 30.065 29.700 -0.129 0.000 0.835 323 E HN 0.085 nan 8.360 nan 0.000 0.493 324 R N -0.653 119.681 120.500 -0.277 0.000 3.372 324 R HA 0.056 4.396 4.340 -0.000 0.000 0.150 324 R C 1.330 177.508 176.300 -0.203 0.000 0.739 324 R CA 0.015 55.948 56.100 -0.277 0.000 1.041 324 R CB -0.382 29.640 30.300 -0.463 0.000 1.530 324 R HN 0.057 nan 8.270 nan 0.000 0.534 325 W N 1.947 123.140 121.300 -0.177 0.000 2.298 325 W HA -0.226 4.434 4.660 -0.000 0.000 0.328 325 W C 2.428 178.651 176.519 -0.494 0.000 1.259 325 W CA 1.315 58.485 57.345 -0.290 0.000 1.251 325 W CB -0.346 29.078 29.460 -0.061 0.000 1.161 325 W HN 0.215 nan 8.180 nan 0.000 0.466 326 R N 0.671 120.848 120.500 -0.538 0.000 2.097 326 R HA -0.207 4.133 4.340 -0.000 0.000 0.236 326 R C 1.725 177.863 176.300 -0.269 0.000 1.135 326 R CA 2.485 58.183 56.100 -0.669 0.000 0.934 326 R CB -0.576 29.095 30.300 -1.047 0.000 0.846 326 R HN 0.088 nan 8.270 nan 0.000 0.431 327 D N -0.176 120.126 120.400 -0.163 0.000 2.213 327 D HA -0.077 4.563 4.640 -0.000 0.000 0.205 327 D C 1.305 177.598 176.300 -0.012 0.000 0.961 327 D CA 0.869 54.869 54.000 0.001 0.000 0.853 327 D CB -0.178 40.607 40.800 -0.026 0.000 0.967 327 D HN 0.299 nan 8.370 nan 0.000 0.496 328 D N 0.263 120.608 120.400 -0.092 0.000 2.234 328 D HA 0.030 4.670 4.640 -0.000 0.000 0.205 328 D C 1.689 177.793 176.300 -0.328 0.000 0.962 328 D CA 0.718 54.685 54.000 -0.055 0.000 0.855 328 D CB 0.316 41.181 40.800 0.109 0.000 0.951 328 D HN 0.152 nan 8.370 nan 0.000 0.500 329 A N 0.099 122.555 122.820 -0.606 0.000 2.011 329 A HA 0.174 4.494 4.320 -0.000 0.000 0.204 329 A C 2.096 179.526 177.584 -0.255 0.000 1.520 329 A CA -0.169 51.387 52.037 -0.802 0.000 0.819 329 A CB -0.531 17.706 19.000 -1.273 0.000 1.087 329 A HN 0.053 nan 8.150 nan 0.000 0.526 330 L N -0.405 120.680 121.223 -0.231 0.000 2.187 330 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 330 L C 2.417 179.150 176.870 -0.229 0.000 1.100 330 L CA 1.274 56.000 54.840 -0.189 0.000 0.765 330 L CB -0.600 41.288 42.059 -0.284 0.000 0.904 330 L HN 0.506 nan 8.230 nan 0.000 0.437 331 H N -1.325 117.738 119.070 -0.011 0.000 2.367 331 H HA 0.128 4.684 4.556 -0.000 0.000 0.304 331 H C 2.194 177.563 175.328 0.069 0.000 1.023 331 H CA 0.999 57.070 56.048 0.038 0.000 1.342 331 H CB -0.348 29.417 29.762 0.005 0.000 1.486 331 H HN 0.179 nan 8.280 nan 0.000 0.596 332 G N 0.075 108.979 108.800 0.173 0.000 2.462 332 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 332 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 332 G C 1.473 176.506 174.900 0.220 0.000 1.121 332 G CA 0.855 46.061 45.100 0.177 0.000 0.758 332 G HN 0.310 nan 8.290 nan 0.000 0.559 333 F N 0.604 120.563 119.950 0.016 0.000 2.390 333 F HA 0.270 4.797 4.527 0.000 0.000 0.281 333 F C 2.238 178.066 175.800 0.046 0.000 1.016 333 F CA 0.703 58.719 58.000 0.026 0.000 1.286 333 F CB -0.023 38.936 39.000 -0.070 0.000 1.134 333 F HN 0.095 nan 8.300 nan 0.000 0.597 334 N N 0.181 118.994 118.700 0.188 0.000 2.457 334 N HA -0.126 4.614 4.740 -0.000 0.000 0.180 334 N C 0.946 176.571 175.510 0.190 0.000 1.050 334 N CA 0.692 53.853 53.050 0.185 0.000 0.906 334 N CB -0.058 38.640 38.487 0.351 0.000 0.968 334 N HN 0.173 nan 8.380 nan 0.000 0.445 335 D N 1.284 121.802 120.400 0.198 0.000 2.172 335 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 335 D C 1.158 177.553 176.300 0.159 0.000 0.999 335 D CA 1.116 55.256 54.000 0.234 0.000 0.856 335 D CB -0.214 40.748 40.800 0.271 0.000 0.934 335 D HN 0.250 nan 8.370 nan 0.000 0.453 336 D N 0.492 120.944 120.400 0.088 0.000 2.218 336 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 336 D C 1.396 177.334 176.300 -0.603 0.000 0.976 336 D CA 0.581 54.449 54.000 -0.220 0.000 0.853 336 D CB -0.158 40.577 40.800 -0.108 0.000 0.939 336 D HN 0.258 nan 8.370 nan 0.000 0.481 337 D N 0.139 120.435 120.400 -0.175 0.000 2.218 337 D HA -0.087 4.553 4.640 -0.000 0.000 0.204 337 D C 2.202 178.365 176.300 -0.228 0.000 0.976 337 D CA 0.248 54.140 54.000 -0.179 0.000 0.853 337 D CB 0.275 41.086 40.800 0.018 0.000 0.939 337 D HN 0.101 nan 8.370 nan 0.000 0.481 338 V N 1.674 121.512 119.914 -0.127 0.000 2.261 338 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 338 V C 2.404 178.523 176.094 0.042 0.000 1.047 338 V CA 1.634 63.930 62.300 -0.007 0.000 1.015 338 V CB -0.745 31.156 31.823 0.130 0.000 0.642 338 V HN 0.446 nan 8.190 nan 0.000 0.446 339 W N 0.572 121.906 121.300 0.057 0.000 2.595 339 W HA 0.161 4.821 4.660 0.000 0.000 0.257 339 W C 2.095 178.636 176.519 0.037 0.000 1.267 339 W CA 0.751 58.123 57.345 0.045 0.000 1.300 339 W CB -0.863 28.619 29.460 0.038 0.000 1.120 339 W HN 0.261 nan 8.180 nan 0.000 0.618 340 A N 2.159 124.733 122.820 -0.409 0.000 1.898 340 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 340 A C 2.246 179.776 177.584 -0.089 0.000 1.181 340 A CA 1.570 53.388 52.037 -0.366 0.000 0.620 340 A CB -0.690 17.970 19.000 -0.567 0.000 0.819 340 A HN 0.295 nan 8.150 nan 0.000 0.442 341 R N -0.182 120.275 120.500 -0.072 0.000 2.062 341 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 341 R C 2.021 178.368 176.300 0.077 0.000 1.128 341 R CA 1.488 57.585 56.100 -0.005 0.000 0.960 341 R CB -0.354 29.965 30.300 0.032 0.000 0.855 341 R HN 0.651 nan 8.270 nan 0.000 0.432 342 E N 0.760 121.031 120.200 0.118 0.000 2.204 342 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 342 E C 1.790 178.481 176.600 0.152 0.000 0.990 342 E CA 0.961 57.447 56.400 0.144 0.000 0.821 342 E CB -0.051 29.745 29.700 0.159 0.000 0.750 342 E HN 0.357 nan 8.360 nan 0.000 0.477 343 A N 0.880 123.805 122.820 0.175 0.000 2.168 343 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 343 A C 1.817 179.483 177.584 0.138 0.000 1.152 343 A CA 0.857 52.997 52.037 0.172 0.000 0.716 343 A CB -0.041 19.102 19.000 0.239 0.000 0.794 343 A HN 0.159 nan 8.150 nan 0.000 0.465 344 Q N -1.603 118.284 119.800 0.145 0.000 2.352 344 Q HA -0.013 4.327 4.340 -0.000 0.000 0.212 344 Q C 1.872 178.019 176.000 0.245 0.000 0.888 344 Q CA 0.391 56.322 55.803 0.213 0.000 0.934 344 Q CB 0.158 29.023 28.738 0.213 0.000 1.093 344 Q HN 0.608 nan 8.270 nan 0.000 0.523 345 Q N 2.127 122.028 119.800 0.168 0.000 2.045 345 Q HA -0.259 4.081 4.340 -0.000 0.000 0.206 345 Q C 1.714 177.798 176.000 0.140 0.000 0.991 345 Q CA 2.127 58.020 55.803 0.149 0.000 0.851 345 Q CB -0.048 28.766 28.738 0.128 0.000 0.911 345 Q HN 0.451 nan 8.270 nan 0.000 0.418 346 E N -1.335 118.943 120.200 0.129 0.000 2.058 346 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 346 E C 1.783 178.447 176.600 0.107 0.000 0.997 346 E CA 1.233 57.696 56.400 0.106 0.000 0.801 346 E CB -0.443 29.314 29.700 0.095 0.000 0.746 346 E HN 0.421 nan 8.360 nan 0.000 0.450 347 F N 0.194 120.108 119.950 -0.060 0.000 2.069 347 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 347 F C 1.774 177.393 175.800 -0.302 0.000 1.113 347 F CA 1.764 59.648 58.000 -0.194 0.000 1.214 347 F CB -0.625 38.208 39.000 -0.279 0.000 0.978 347 F HN 0.106 nan 8.300 nan 0.000 0.474 348 Y N -0.258 119.883 120.300 -0.264 0.000 2.243 348 Y HA 0.072 4.622 4.550 0.000 0.000 0.293 348 Y C 2.702 178.452 175.900 -0.250 0.000 1.124 348 Y CA 1.343 59.109 58.100 -0.557 0.000 1.159 348 Y CB -1.102 36.947 38.460 -0.685 0.000 1.008 348 Y HN 0.107 nan 8.280 nan 0.000 0.527 349 G N -0.735 108.110 108.800 0.075 0.000 2.464 349 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 349 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 349 G C 1.286 176.223 174.900 0.062 0.000 1.138 349 G CA 0.796 45.962 45.100 0.110 0.000 0.793 349 G HN 0.418 nan 8.290 nan 0.000 0.539 350 E N -0.927 119.281 120.200 0.014 0.000 2.391 350 E HA 0.142 4.492 4.350 -0.000 0.000 0.206 350 E C 1.548 178.126 176.600 -0.036 0.000 0.851 350 E CA -0.191 56.213 56.400 0.007 0.000 1.059 350 E CB 0.526 30.241 29.700 0.026 0.000 1.065 350 E HN 0.041 nan 8.360 nan 0.000 0.512 351 R N 1.396 121.830 120.500 -0.110 0.000 2.515 351 R HA 0.079 4.419 4.340 -0.000 0.000 0.294 351 R C -0.745 175.372 176.300 -0.305 0.000 1.021 351 R CA 0.063 56.066 56.100 -0.161 0.000 1.081 351 R CB -0.314 29.933 30.300 -0.088 0.000 1.263 351 R HN 0.042 nan 8.270 nan 0.000 0.557 352 D N -1.341 118.907 120.400 -0.254 0.000 2.723 352 D HA -0.159 4.481 4.640 -0.000 0.000 0.236 352 D C 1.092 177.093 176.300 -0.499 0.000 1.138 352 D CA 1.052 54.925 54.000 -0.212 0.000 0.676 352 D CB -1.011 39.731 40.800 -0.097 0.000 1.069 352 D HN 0.414 nan 8.370 nan 0.000 0.430 353 G N -0.894 107.272 108.800 -1.056 0.000 2.470 353 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 353 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 353 G C 1.293 175.664 174.900 -0.882 0.000 1.121 353 G CA 0.799 44.771 45.100 -1.880 0.000 0.766 353 G HN 0.563 nan 8.290 nan 0.000 0.553 354 W N 1.390 122.620 121.300 -0.117 0.000 2.421 354 W HA -0.016 4.644 4.660 0.000 0.000 0.270 354 W C 2.743 179.355 176.519 0.154 0.000 1.233 354 W CA 1.167 58.640 57.345 0.212 0.000 1.226 354 W CB 0.114 29.719 29.460 0.243 0.000 1.121 354 W HN 0.304 nan 8.180 nan 0.000 0.579 355 S N -1.472 114.334 115.700 0.176 0.000 2.520 355 S HA 0.166 4.636 4.470 -0.000 0.000 0.219 355 S C 1.269 175.906 174.600 0.062 0.000 1.028 355 S CA -0.236 58.041 58.200 0.128 0.000 0.921 355 S CB 0.018 63.266 63.200 0.081 0.000 0.844 355 S HN 0.192 nan 8.310 nan 0.000 0.495 356 K N 1.813 122.193 120.400 -0.033 0.000 2.356 356 K HA 0.124 4.444 4.320 -0.000 0.000 0.195 356 K C 0.742 177.449 176.600 0.178 0.000 1.037 356 K CA 0.130 56.440 56.287 0.038 0.000 1.014 356 K CB 0.154 32.647 32.500 -0.011 0.000 0.815 356 K HN 0.705 nan 8.250 nan 0.000 0.507 357 E N 1.928 122.230 120.200 0.171 0.000 2.436 357 E HA -0.090 4.260 4.350 -0.000 0.000 0.262 357 E C -0.719 175.995 176.600 0.190 0.000 1.063 357 E CA 0.326 56.878 56.400 0.253 0.000 0.944 357 E CB 0.441 30.317 29.700 0.293 0.000 0.950 357 E HN 0.034 nan 8.360 nan 0.000 0.444 358 Q N 2.701 122.591 119.800 0.149 0.000 2.464 358 Q HA 0.316 4.656 4.340 -0.000 0.000 0.256 358 Q C -0.661 175.425 176.000 0.144 0.000 1.020 358 Q CA -0.358 55.519 55.803 0.122 0.000 0.716 358 Q CB 1.345 30.120 28.738 0.062 0.000 1.230 358 Q HN 0.506 nan 8.270 nan 0.000 0.494 359 L N 2.340 123.683 121.223 0.201 0.000 2.466 359 L HA 0.513 4.853 4.340 -0.000 0.000 0.257 359 L C -0.023 177.043 176.870 0.327 0.000 1.189 359 L CA -0.581 54.419 54.840 0.268 0.000 0.813 359 L CB 0.093 42.292 42.059 0.233 0.000 1.118 359 L HN 0.442 nan 8.230 nan 0.000 0.471 360 F N -1.244 118.729 119.950 0.038 0.000 2.640 360 F HA 0.590 5.117 4.527 0.000 0.000 0.324 360 F C -2.341 173.469 175.800 0.017 0.000 1.077 360 F CA -2.850 55.162 58.000 0.020 0.000 0.965 360 F CB -0.207 38.795 39.000 0.003 0.000 1.351 360 F HN 0.134 nan 8.300 nan 0.000 0.487 361 P HA -0.183 nan 4.420 nan 0.000 0.222 361 P C -1.557 175.513 177.300 -0.384 0.000 1.159 361 P CA 3.077 66.032 63.100 -0.240 0.000 0.920 361 P CB -1.130 30.474 31.700 -0.162 0.000 0.793 362 P HA -0.117 nan 4.420 nan 0.000 0.220 362 P C 0.790 177.889 177.300 -0.335 0.000 1.148 362 P CA 1.333 64.139 63.100 -0.491 0.000 0.803 362 P CB -0.452 30.875 31.700 -0.623 0.000 0.782 363 D N -1.515 118.682 120.400 -0.338 0.000 2.378 363 D HA -0.067 4.573 4.640 -0.000 0.000 0.227 363 D C 1.589 177.835 176.300 -0.089 0.000 1.012 363 D CA 0.499 54.420 54.000 -0.131 0.000 0.905 363 D CB -0.364 40.441 40.800 0.008 0.000 0.895 363 D HN 0.109 nan 8.370 nan 0.000 0.532 364 M N 1.127 120.666 119.600 -0.102 0.000 2.267 364 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 364 M C 2.180 178.462 176.300 -0.031 0.000 1.063 364 M CA 1.139 56.406 55.300 -0.054 0.000 1.090 364 M CB -0.603 31.959 32.600 -0.064 0.000 1.392 364 M HN 0.288 nan 8.290 nan 0.000 0.422 365 C N -1.719 117.547 119.300 -0.057 0.000 2.450 365 C HA 0.021 4.481 4.460 -0.000 0.000 0.279 365 C C 2.459 177.560 174.990 0.187 0.000 1.335 365 C CA 0.210 59.237 59.018 0.016 0.000 1.749 365 C CB -1.633 25.969 27.740 -0.229 0.000 1.963 365 C HN 0.583 nan 8.230 nan 0.000 0.501 366 I N 1.360 121.965 120.570 0.058 0.000 2.353 366 I HA -0.115 4.055 4.170 -0.000 0.000 0.248 366 I C 2.767 178.882 176.117 -0.003 0.000 1.119 366 I CA 1.176 62.566 61.300 0.151 0.000 1.417 366 I CB -0.279 37.746 38.000 0.042 0.000 1.078 366 I HN 0.196 nan 8.210 nan 0.000 0.421 367 V N 1.021 120.872 119.914 -0.104 0.000 2.343 367 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 367 V C 2.379 178.357 176.094 -0.194 0.000 1.051 367 V CA 1.813 63.955 62.300 -0.262 0.000 1.036 367 V CB -0.629 31.145 31.823 -0.081 0.000 0.654 367 V HN 0.392 nan 8.190 nan 0.000 0.451 368 K N -0.669 119.706 120.400 -0.041 0.000 2.097 368 K HA -0.200 4.120 4.320 -0.000 0.000 0.205 368 K C 2.066 178.635 176.600 -0.051 0.000 1.050 368 K CA 1.759 58.033 56.287 -0.022 0.000 0.938 368 K CB -0.289 32.227 32.500 0.027 0.000 0.718 368 K HN 0.748 nan 8.250 nan 0.000 0.442 369 W N 2.709 123.906 121.300 -0.172 0.000 2.379 369 W HA -0.181 4.479 4.660 -0.000 0.000 0.307 369 W C 1.403 177.691 176.519 -0.385 0.000 1.200 369 W CA 1.133 58.326 57.345 -0.254 0.000 1.297 369 W CB -0.164 29.154 29.460 -0.237 0.000 1.140 369 W HN -0.046 nan 8.180 nan 0.000 0.507 370 R N 0.112 119.996 120.500 -1.027 0.000 2.081 370 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 370 R C 2.241 178.070 176.300 -0.785 0.000 1.131 370 R CA 2.207 57.375 56.100 -1.553 0.000 0.960 370 R CB -1.105 28.139 30.300 -1.760 0.000 0.856 370 R HN 0.133 nan 8.270 nan 0.000 0.436 371 T N 1.963 116.281 114.554 -0.394 0.000 2.777 371 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 371 T C 1.792 176.399 174.700 -0.156 0.000 1.040 371 T CA 0.989 63.040 62.100 -0.082 0.000 1.141 371 T CB -0.160 68.724 68.868 0.028 0.000 0.868 371 T HN 0.091 nan 8.240 nan 0.000 0.444 372 L N 1.326 122.403 121.223 -0.244 0.000 2.056 372 L HA 0.196 4.536 4.340 -0.000 0.000 0.207 372 L C 2.556 179.253 176.870 -0.288 0.000 1.078 372 L CA 1.733 56.445 54.840 -0.214 0.000 0.749 372 L CB -0.941 41.019 42.059 -0.167 0.000 0.901 372 L HN 0.189 nan 8.230 nan 0.000 0.433 373 A N -1.437 121.062 122.820 -0.535 0.000 1.898 373 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 373 A C 2.513 179.939 177.584 -0.263 0.000 1.181 373 A CA 1.815 53.515 52.037 -0.562 0.000 0.620 373 A CB -1.185 17.261 19.000 -0.923 0.000 0.819 373 A HN 0.520 nan 8.150 nan 0.000 0.442 374 S N -0.854 114.791 115.700 -0.092 0.000 2.383 374 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 374 S C 1.974 176.587 174.600 0.022 0.000 1.030 374 S CA 1.687 59.947 58.200 0.101 0.000 1.002 374 S CB -0.307 62.988 63.200 0.159 0.000 0.829 374 S HN 0.563 nan 8.310 nan 0.000 0.467 375 E N 0.397 120.570 120.200 -0.044 0.000 2.076 375 E HA 0.083 4.433 4.350 -0.000 0.000 0.190 375 E C 2.056 178.628 176.600 -0.046 0.000 0.979 375 E CA 0.666 57.044 56.400 -0.036 0.000 0.807 375 E CB -0.060 29.610 29.700 -0.050 0.000 0.761 375 E HN 0.338 nan 8.360 nan 0.000 0.454 376 R N 0.156 120.602 120.500 -0.091 0.000 2.334 376 R HA 0.181 4.521 4.340 -0.000 0.000 0.212 376 R C 0.826 177.138 176.300 0.021 0.000 0.897 376 R CA 0.160 56.253 56.100 -0.012 0.000 1.056 376 R CB -0.185 30.093 30.300 -0.037 0.000 1.046 376 R HN -0.023 nan 8.270 nan 0.000 0.513 377 G N 1.063 109.656 108.800 -0.345 0.000 2.321 377 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.237 377 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.237 377 G C 0.636 175.513 174.900 -0.039 0.000 1.282 377 G CA -0.310 44.402 45.100 -0.646 0.000 0.886 377 G HN 0.214 nan 8.290 nan 0.000 0.528 378 R N 1.556 122.192 120.500 0.226 0.000 2.236 378 R HA 0.125 4.465 4.340 -0.000 0.000 0.208 378 R C 1.155 177.501 176.300 0.076 0.000 1.036 378 R CA 0.784 56.905 56.100 0.034 0.000 1.001 378 R CB 0.325 30.452 30.300 -0.289 0.000 0.896 378 R HN 0.566 nan 8.270 nan 0.000 0.464 379 G N -0.228 108.690 108.800 0.196 0.000 2.755 379 G HA2 0.386 4.346 3.960 -0.000 0.000 0.297 379 G HA3 0.386 4.346 3.960 -0.000 0.000 0.297 379 G C -1.552 173.540 174.900 0.319 0.000 1.441 379 G CA -0.568 44.646 45.100 0.191 0.000 0.964 379 G HN -0.100 nan 8.290 nan 0.000 0.540 380 V N 1.459 121.510 119.914 0.228 0.000 2.370 380 V HA 0.556 4.676 4.120 -0.000 0.000 0.279 380 V C 0.188 176.333 176.094 0.085 0.000 1.029 380 V CA -0.765 61.655 62.300 0.200 0.000 0.870 380 V CB 1.336 33.261 31.823 0.169 0.000 0.984 380 V HN 0.680 nan 8.190 nan 0.000 0.451 381 R N 4.439 124.954 120.500 0.026 0.000 2.247 381 R HA 0.675 5.015 4.340 -0.000 0.000 0.329 381 R C 0.064 176.352 176.300 -0.021 0.000 1.014 381 R CA 0.039 56.132 56.100 -0.011 0.000 0.907 381 R CB 0.604 30.870 30.300 -0.056 0.000 1.146 381 R HN 0.845 nan 8.270 nan 0.000 0.499 382 A N 0.000 122.820 122.820 -0.000 0.000 2.254 382 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 382 A CA 0.000 52.038 52.037 0.002 0.000 0.836 382 A CB 0.000 19.006 19.000 0.009 0.000 0.831 382 A HN 0.000 nan 8.150 nan 0.000 0.486