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 1zfj_1_A DATA FIRST_RESID 2 DATA SEQUENCE SNWDTKFLKK GYTFDDVLLI PAESHVLPNE VDLKTKLADN LTLNIPIITA DATA SEQUENCE AXDTVTGSKX AIAIARAGGL GVIHKNXSIT EQAEEVRKVK RSENGVIIDP DATA SEQUENCE FFLTPEHKVS EAEELXQRYR ISGVPIVETL ANRKLVGIIT NRDXRFISDY DATA SEQUENCE NAPISEHXTS EHLVTAAVGT DLETAERILH EHRIEKLPLV DNSGRLSGLI DATA SEQUENCE TIKDIEKVIE FPHAAKDEFG RLLVAAAVGV TSDTFERAEA LFEAGADAIV DATA SEQUENCE IDTAHGHSAG VLRKIAEIRA HFPNRTLIAG NIATAEGARA LYDAGVDVVK DATA SEQUENCE VGIGPGSICT TRVVAGVGVP QVTAIYDAAA VAREYGKTII ADGGIKYSGD DATA SEQUENCE IVKALAAGGN AVXLGSXFAG TDEAPGETEI YQGRKYKTYR GXGSIAAXKK DATA SEQUENCE XXXXXXXXXX XXXXNKLVPE GIEGRVAYKG AASDIVFQXL GGIRSGXGYV DATA SEQUENCE GAGDIQELHE NAQFVEXSGA GLIESHPHDV QITNEAPNYS V 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.652 174.600 0.087 0.000 1.055 2 S CA 0.000 58.245 58.200 0.075 0.000 1.107 2 S CB 0.000 63.258 63.200 0.097 0.000 0.593 3 N N 3.350 122.088 118.700 0.064 0.000 2.501 3 N HA 0.008 4.748 4.740 -0.000 0.000 0.195 3 N C 1.260 176.770 175.510 0.001 0.000 1.213 3 N CA 0.104 53.163 53.050 0.016 0.000 0.864 3 N CB -0.114 38.357 38.487 -0.026 0.000 0.999 3 N HN 0.804 nan 8.380 nan 0.000 0.454 4 W N 1.810 123.077 121.300 -0.055 0.000 2.392 4 W HA -0.116 4.544 4.660 -0.000 0.000 0.279 4 W C -0.001 176.489 176.519 -0.049 0.000 1.225 4 W CA 0.865 58.173 57.345 -0.061 0.000 1.233 4 W CB 0.170 29.606 29.460 -0.041 0.000 1.122 4 W HN 0.058 nan 8.180 nan 0.000 0.561 5 D N -0.532 119.874 120.400 0.011 0.000 2.349 5 D HA -0.005 4.635 4.640 -0.000 0.000 0.215 5 D C 0.503 176.752 176.300 -0.085 0.000 1.016 5 D CA 0.856 54.838 54.000 -0.030 0.000 0.870 5 D CB 0.315 41.162 40.800 0.078 0.000 0.917 5 D HN 0.000 nan 8.370 nan 0.000 0.524 6 T N 0.373 114.858 114.554 -0.116 0.000 3.415 6 T HA 0.060 4.410 4.350 -0.000 0.000 0.282 6 T C 1.302 175.880 174.700 -0.203 0.000 1.007 6 T CA -0.387 61.650 62.100 -0.106 0.000 0.958 6 T CB 1.104 69.940 68.868 -0.053 0.000 1.171 6 T HN -0.166 nan 8.240 nan 0.000 0.500 7 K N 1.464 121.636 120.400 -0.380 0.000 2.063 7 K HA 0.038 4.358 4.320 -0.000 0.000 0.208 7 K C -0.146 176.009 176.600 -0.742 0.000 1.048 7 K CA 1.239 57.135 56.287 -0.651 0.000 0.928 7 K CB -0.185 31.702 32.500 -1.022 0.000 0.713 7 K HN 0.322 nan 8.250 nan 0.000 0.442 8 F N 1.171 121.021 119.950 -0.166 0.000 2.309 8 F HA 0.227 4.754 4.527 -0.000 0.000 0.366 8 F C 0.887 176.625 175.800 -0.104 0.000 1.104 8 F CA -0.768 57.155 58.000 -0.128 0.000 1.179 8 F CB 0.760 39.685 39.000 -0.125 0.000 1.437 8 F HN -0.089 nan 8.300 nan 0.000 0.528 9 L N 2.800 124.014 121.223 -0.015 0.000 1.988 9 L HA -0.021 4.318 4.340 -0.000 0.000 0.207 9 L C 0.499 177.362 176.870 -0.012 0.000 1.071 9 L CA 1.935 56.761 54.840 -0.024 0.000 0.744 9 L CB -0.380 41.651 42.059 -0.046 0.000 0.893 9 L HN 0.638 nan 8.230 nan 0.000 0.433 10 K N -3.102 117.283 120.400 -0.024 0.000 2.886 10 K HA 0.338 4.658 4.320 -0.000 0.000 0.291 10 K C -1.225 175.313 176.600 -0.103 0.000 1.057 10 K CA -0.811 55.442 56.287 -0.058 0.000 0.797 10 K CB 0.217 32.675 32.500 -0.069 0.000 1.490 10 K HN -0.183 nan 8.250 nan 0.000 0.365 11 K N -0.232 120.064 120.400 -0.174 0.000 2.110 11 K HA 0.696 5.016 4.320 -0.000 0.000 0.263 11 K C -0.273 176.080 176.600 -0.412 0.000 0.975 11 K CA -0.740 55.383 56.287 -0.272 0.000 0.895 11 K CB 1.774 34.087 32.500 -0.311 0.000 1.060 11 K HN 0.714 nan 8.250 nan 0.000 0.448 12 G N 1.415 109.971 108.800 -0.407 0.000 2.448 12 G HA2 0.487 4.447 3.960 -0.000 0.000 0.324 12 G HA3 0.487 4.447 3.960 -0.000 0.000 0.324 12 G C -1.581 173.026 174.900 -0.489 0.000 1.203 12 G CA -0.381 44.469 45.100 -0.417 0.000 0.954 12 G HN 0.337 nan 8.290 nan 0.000 0.480 13 Y N -0.228 119.953 120.300 -0.197 0.000 2.409 13 Y HA 0.675 5.225 4.550 -0.000 0.000 0.339 13 Y C 0.850 176.582 175.900 -0.280 0.000 1.033 13 Y CA -0.784 57.181 58.100 -0.225 0.000 1.094 13 Y CB 2.553 40.843 38.460 -0.282 0.000 1.210 13 Y HN 0.559 nan 8.280 nan 0.000 0.456 14 T N 1.081 115.592 114.554 -0.071 0.000 2.940 14 T HA 0.347 4.697 4.350 -0.000 0.000 0.288 14 T C 0.868 175.445 174.700 -0.206 0.000 1.045 14 T CA -0.502 61.458 62.100 -0.234 0.000 1.018 14 T CB 0.491 69.293 68.868 -0.110 0.000 1.151 14 T HN 0.385 nan 8.240 nan 0.000 0.529 15 F N 0.894 120.846 119.950 0.004 0.000 2.147 15 F HA -0.065 4.462 4.527 -0.000 0.000 0.301 15 F C 2.168 177.983 175.800 0.026 0.000 1.084 15 F CA 1.238 59.244 58.000 0.009 0.000 1.268 15 F CB -0.390 38.646 39.000 0.061 0.000 1.009 15 F HN 0.524 nan 8.300 nan 0.000 0.486 16 D N -0.433 120.093 120.400 0.210 0.000 2.363 16 D HA -0.062 4.578 4.640 -0.000 0.000 0.226 16 D C 1.245 177.596 176.300 0.084 0.000 1.020 16 D CA 0.543 54.640 54.000 0.163 0.000 0.892 16 D CB -0.279 40.628 40.800 0.177 0.000 0.900 16 D HN 0.369 nan 8.370 nan 0.000 0.531 17 D N -0.045 120.377 120.400 0.036 0.000 2.366 17 D HA 0.005 4.645 4.640 -0.000 0.000 0.205 17 D C 1.004 177.243 176.300 -0.101 0.000 1.022 17 D CA 0.315 54.316 54.000 0.002 0.000 0.868 17 D CB 1.430 42.284 40.800 0.089 0.000 0.953 17 D HN 0.134 nan 8.370 nan 0.000 0.514 18 V N -1.738 118.107 119.914 -0.115 0.000 3.102 18 V HA 0.689 4.809 4.120 -0.000 0.000 0.312 18 V C -0.860 175.267 176.094 0.056 0.000 1.135 18 V CA -0.973 61.255 62.300 -0.120 0.000 1.022 18 V CB 2.684 34.280 31.823 -0.379 0.000 1.056 18 V HN -0.173 nan 8.190 nan 0.000 0.436 19 L N 1.911 123.218 121.223 0.139 0.000 2.409 19 L HA 0.580 4.920 4.340 -0.000 0.000 0.262 19 L C -0.802 176.190 176.870 0.202 0.000 0.992 19 L CA -0.669 54.256 54.840 0.142 0.000 0.817 19 L CB 2.324 44.398 42.059 0.025 0.000 1.350 19 L HN 0.576 nan 8.230 nan 0.000 0.411 20 L N 3.080 124.367 121.223 0.107 0.000 2.349 20 L HA 0.387 4.726 4.340 -0.000 0.000 0.275 20 L C -0.190 176.638 176.870 -0.070 0.000 1.115 20 L CA -0.278 54.529 54.840 -0.056 0.000 0.820 20 L CB 0.993 42.996 42.059 -0.093 0.000 1.135 20 L HN 0.402 nan 8.230 nan 0.000 0.445 21 I N 4.389 124.907 120.570 -0.087 0.000 2.441 21 I HA 0.203 4.373 4.170 -0.000 0.000 0.287 21 I C -1.896 174.188 176.117 -0.054 0.000 1.049 21 I CA -1.799 59.463 61.300 -0.063 0.000 1.381 21 I CB 0.822 38.794 38.000 -0.046 0.000 1.409 21 I HN 0.343 nan 8.210 nan 0.000 0.523 22 P HA 0.226 nan 4.420 nan 0.000 0.269 22 P C -0.817 176.490 177.300 0.011 0.000 1.209 22 P CA -0.059 63.040 63.100 -0.000 0.000 0.776 22 P CB 0.791 32.485 31.700 -0.010 0.000 0.876 23 A N 1.067 123.907 122.820 0.033 0.000 2.593 23 A HA 0.502 4.822 4.320 -0.000 0.000 0.290 23 A C -0.783 176.816 177.584 0.025 0.000 1.126 23 A CA -0.774 51.276 52.037 0.022 0.000 0.695 23 A CB 0.780 19.788 19.000 0.014 0.000 1.290 23 A HN 0.612 nan 8.150 nan 0.000 0.414 24 E N 0.389 120.603 120.200 0.023 0.000 2.442 24 E HA 0.379 4.728 4.350 -0.000 0.000 0.262 24 E C -0.203 176.406 176.600 0.013 0.000 1.004 24 E CA 0.340 56.742 56.400 0.005 0.000 0.928 24 E CB 0.660 30.389 29.700 0.047 0.000 0.937 24 E HN 0.485 nan 8.360 nan 0.000 0.446 25 S N 1.828 117.475 115.700 -0.088 0.000 2.538 25 S HA 0.338 4.808 4.470 -0.000 0.000 0.288 25 S C -1.113 173.349 174.600 -0.231 0.000 1.108 25 S CA -0.750 57.416 58.200 -0.057 0.000 0.971 25 S CB 0.911 64.077 63.200 -0.056 0.000 1.041 25 S HN 0.607 nan 8.310 nan 0.000 0.483 26 H N 1.839 120.893 119.070 -0.027 0.000 2.567 26 H HA 0.497 5.053 4.556 -0.000 0.000 0.267 26 H C -0.456 174.853 175.328 -0.031 0.000 1.148 26 H CA -0.037 55.995 56.048 -0.026 0.000 1.031 26 H CB 1.043 30.793 29.762 -0.020 0.000 1.691 26 H HN 0.249 nan 8.280 nan 0.000 0.588 27 V N 1.495 121.431 119.914 0.037 0.000 2.623 27 V HA 0.332 4.452 4.120 -0.000 0.000 0.304 27 V C -0.910 175.159 176.094 -0.041 0.000 1.054 27 V CA -0.823 61.479 62.300 0.004 0.000 0.882 27 V CB 1.266 33.093 31.823 0.006 0.000 1.002 27 V HN 0.239 nan 8.190 nan 0.000 0.424 28 L N 7.551 128.746 121.223 -0.047 0.000 2.453 28 L HA 0.378 4.718 4.340 -0.000 0.000 0.261 28 L C -1.398 175.426 176.870 -0.077 0.000 1.179 28 L CA -1.481 53.315 54.840 -0.072 0.000 0.813 28 L CB 0.919 42.943 42.059 -0.059 0.000 1.110 28 L HN 0.444 nan 8.230 nan 0.000 0.466 29 P HA -0.171 nan 4.420 nan 0.000 0.216 29 P C 0.883 178.135 177.300 -0.079 0.000 1.153 29 P CA 1.267 64.307 63.100 -0.100 0.000 0.858 29 P CB -0.045 31.582 31.700 -0.122 0.000 0.789 30 N N 0.257 118.917 118.700 -0.067 0.000 2.573 30 N HA -0.149 4.591 4.740 -0.000 0.000 0.187 30 N C 0.914 176.401 175.510 -0.038 0.000 1.107 30 N CA 0.931 53.950 53.050 -0.052 0.000 0.918 30 N CB -0.588 37.878 38.487 -0.035 0.000 0.966 30 N HN 0.409 nan 8.380 nan 0.000 0.448 31 E N 0.121 120.299 120.200 -0.037 0.000 2.583 31 E HA 0.108 4.458 4.350 -0.000 0.000 0.213 31 E C 0.347 176.932 176.600 -0.025 0.000 0.989 31 E CA -0.542 55.844 56.400 -0.023 0.000 0.991 31 E CB 0.205 29.896 29.700 -0.016 0.000 1.040 31 E HN 0.160 nan 8.360 nan 0.000 0.481 32 V N -0.200 119.691 119.914 -0.038 0.000 2.775 32 V HA 0.234 4.354 4.120 -0.000 0.000 0.299 32 V C -0.057 176.017 176.094 -0.033 0.000 1.062 32 V CA -0.741 61.537 62.300 -0.037 0.000 1.063 32 V CB 1.316 33.112 31.823 -0.046 0.000 0.994 32 V HN 0.018 nan 8.190 nan 0.000 0.483 33 D N 2.849 123.233 120.400 -0.028 0.000 2.313 33 D HA 0.323 4.963 4.640 -0.000 0.000 0.239 33 D C 0.308 176.591 176.300 -0.027 0.000 1.142 33 D CA -0.321 53.666 54.000 -0.021 0.000 0.847 33 D CB 1.453 42.243 40.800 -0.016 0.000 1.082 33 D HN 0.483 nan 8.370 nan 0.000 0.480 34 L N 3.159 124.366 121.223 -0.027 0.000 2.592 34 L HA 0.163 4.503 4.340 -0.000 0.000 0.227 34 L C 1.117 177.980 176.870 -0.011 0.000 1.127 34 L CA 0.404 55.228 54.840 -0.027 0.000 0.884 34 L CB -0.510 41.524 42.059 -0.042 0.000 1.065 34 L HN 0.286 nan 8.230 nan 0.000 0.457 35 K N -0.222 120.176 120.400 -0.003 0.000 2.319 35 K HA 0.258 4.578 4.320 -0.000 0.000 0.265 35 K C 0.238 176.840 176.600 0.004 0.000 1.000 35 K CA 0.248 56.540 56.287 0.007 0.000 0.943 35 K CB 0.544 33.052 32.500 0.013 0.000 0.950 35 K HN -0.093 nan 8.250 nan 0.000 0.485 36 T N 1.521 116.083 114.554 0.013 0.000 3.071 36 T HA 0.172 4.522 4.350 -0.000 0.000 0.311 36 T C -1.609 173.107 174.700 0.025 0.000 1.042 36 T CA -0.871 61.240 62.100 0.019 0.000 1.028 36 T CB 0.830 69.715 68.868 0.029 0.000 1.068 36 T HN 0.526 nan 8.240 nan 0.000 0.451 37 K N 5.465 125.880 120.400 0.026 0.000 2.253 37 K HA 0.489 4.809 4.320 -0.000 0.000 0.277 37 K C 0.686 177.309 176.600 0.038 0.000 1.053 37 K CA -0.627 55.675 56.287 0.026 0.000 0.892 37 K CB 0.615 33.127 32.500 0.019 0.000 1.102 37 K HN 0.605 nan 8.250 nan 0.000 0.469 38 L N 2.606 123.852 121.223 0.039 0.000 2.298 38 L HA 0.292 4.632 4.340 -0.000 0.000 0.209 38 L C 0.598 177.497 176.870 0.048 0.000 1.084 38 L CA 0.089 54.959 54.840 0.050 0.000 0.816 38 L CB 0.347 42.436 42.059 0.051 0.000 0.967 38 L HN 0.705 nan 8.230 nan 0.000 0.460 39 A N -1.396 121.446 122.820 0.037 0.000 2.601 39 A HA 0.306 4.626 4.320 -0.000 0.000 0.291 39 A C -0.423 177.173 177.584 0.021 0.000 1.075 39 A CA -0.561 51.496 52.037 0.032 0.000 0.671 39 A CB 0.612 19.637 19.000 0.041 0.000 1.277 39 A HN -0.035 nan 8.150 nan 0.000 0.417 40 D N 0.481 120.890 120.400 0.015 0.000 2.149 40 D HA -0.212 4.428 4.640 -0.000 0.000 0.194 40 D C 1.353 177.654 176.300 0.001 0.000 1.001 40 D CA 2.479 56.483 54.000 0.005 0.000 0.849 40 D CB -0.039 40.763 40.800 0.003 0.000 0.939 40 D HN 0.685 nan 8.370 nan 0.000 0.449 41 N N -0.792 117.912 118.700 0.006 0.000 2.412 41 N HA -0.050 4.690 4.740 -0.000 0.000 0.184 41 N C -0.351 175.164 175.510 0.009 0.000 1.101 41 N CA 0.090 53.141 53.050 0.002 0.000 0.881 41 N CB 0.222 38.715 38.487 0.009 0.000 0.969 41 N HN -0.027 nan 8.380 nan 0.000 0.459 42 L N 0.938 122.171 121.223 0.017 0.000 2.388 42 L HA 0.491 4.831 4.340 -0.000 0.000 0.267 42 L C -1.191 175.690 176.870 0.019 0.000 0.995 42 L CA -0.184 54.668 54.840 0.020 0.000 0.864 42 L CB 1.478 43.555 42.059 0.031 0.000 1.216 42 L HN -0.062 nan 8.230 nan 0.000 0.430 43 T N 5.278 119.840 114.554 0.014 0.000 2.841 43 T HA 0.632 4.982 4.350 -0.000 0.000 0.285 43 T C -0.378 174.332 174.700 0.017 0.000 0.991 43 T CA -0.388 61.721 62.100 0.015 0.000 0.966 43 T CB 1.152 70.026 68.868 0.010 0.000 0.962 43 T HN 0.248 nan 8.240 nan 0.000 0.438 44 L N 2.921 124.156 121.223 0.021 0.000 2.334 44 L HA 0.527 4.867 4.340 -0.000 0.000 0.272 44 L C 1.195 178.081 176.870 0.027 0.000 1.020 44 L CA -0.843 54.011 54.840 0.022 0.000 0.812 44 L CB 1.279 43.351 42.059 0.022 0.000 1.264 44 L HN 0.653 nan 8.230 nan 0.000 0.439 45 N N 1.182 119.903 118.700 0.035 0.000 2.422 45 N HA 0.154 4.894 4.740 -0.000 0.000 0.181 45 N C -0.366 175.158 175.510 0.023 0.000 1.080 45 N CA 0.281 53.358 53.050 0.044 0.000 0.893 45 N CB 0.399 38.937 38.487 0.087 0.000 0.973 45 N HN 0.453 nan 8.380 nan 0.000 0.456 46 I N -3.651 116.930 120.570 0.019 0.000 2.692 46 I HA 0.391 4.561 4.170 -0.000 0.000 0.293 46 I C -2.726 173.404 176.117 0.021 0.000 1.200 46 I CA -2.469 58.837 61.300 0.009 0.000 1.036 46 I CB 2.717 40.720 38.000 0.005 0.000 1.258 46 I HN -0.272 nan 8.210 nan 0.000 0.421 47 P HA 0.237 nan 4.420 nan 0.000 0.261 47 P C -0.404 176.927 177.300 0.053 0.000 1.650 47 P CA 0.446 63.569 63.100 0.038 0.000 0.846 47 P CB -0.278 31.444 31.700 0.036 0.000 1.758 48 I N 0.766 121.369 120.570 0.055 0.000 2.465 48 I HA 0.438 4.608 4.170 -0.000 0.000 0.291 48 I C 0.287 176.440 176.117 0.061 0.000 1.014 48 I CA -1.095 60.255 61.300 0.082 0.000 1.093 48 I CB 2.235 40.308 38.000 0.122 0.000 1.267 48 I HN -0.171 nan 8.210 nan 0.000 0.431 49 I N 4.225 124.840 120.570 0.075 0.000 2.582 49 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 49 I C -0.019 176.127 176.117 0.050 0.000 1.066 49 I CA -0.676 60.643 61.300 0.032 0.000 1.053 49 I CB 2.588 40.607 38.000 0.032 0.000 1.241 49 I HN 0.527 nan 8.210 nan 0.000 0.421 50 T N 2.160 116.690 114.554 -0.040 0.000 2.806 50 T HA 0.693 5.043 4.350 -0.000 0.000 0.290 50 T C 0.236 174.938 174.700 0.004 0.000 0.966 50 T CA -0.758 61.318 62.100 -0.039 0.000 1.060 50 T CB 1.465 70.183 68.868 -0.249 0.000 0.927 50 T HN 0.692 nan 8.240 nan 0.000 0.485 51 A N 2.790 125.655 122.820 0.074 0.000 2.555 51 A HA 0.558 4.878 4.320 -0.000 0.000 0.233 51 A C 0.994 178.612 177.584 0.057 0.000 1.060 51 A CA -0.104 51.982 52.037 0.082 0.000 0.759 51 A CB -0.657 18.427 19.000 0.139 0.000 0.995 51 A HN 1.456 nan 8.150 nan 0.000 0.506 55 T N -1.974 112.681 114.554 0.168 0.000 3.085 55 T HA 0.485 4.835 4.350 -0.000 0.000 0.264 55 T C 1.125 175.923 174.700 0.162 0.000 1.019 55 T CA 0.441 62.648 62.100 0.177 0.000 0.910 55 T CB 0.630 69.645 68.868 0.245 0.000 1.059 55 T HN 0.019 nan 8.240 nan 0.000 0.542 56 V N 0.161 120.190 119.914 0.191 0.000 3.102 56 V HA 0.290 4.410 4.120 -0.000 0.000 0.225 56 V C 0.514 176.636 176.094 0.046 0.000 1.301 56 V CA 0.260 62.619 62.300 0.099 0.000 1.308 56 V CB 0.687 32.566 31.823 0.093 0.000 1.129 56 V HN 0.399 nan 8.190 nan 0.000 0.502 57 T N 1.824 116.389 114.554 0.017 0.000 2.893 57 T HA 0.691 5.041 4.350 -0.000 0.000 0.324 57 T C 0.121 174.460 174.700 -0.601 0.000 1.082 57 T CA 0.123 62.078 62.100 -0.241 0.000 0.983 57 T CB 1.141 69.844 68.868 -0.275 0.000 1.005 57 T HN 0.476 nan 8.240 nan 0.000 0.475 58 G N 1.027 109.690 108.800 -0.228 0.000 3.075 58 G HA2 0.505 4.465 3.960 -0.000 0.000 0.253 58 G HA3 0.505 4.465 3.960 -0.000 0.000 0.253 58 G C 1.198 176.022 174.900 -0.126 0.000 1.353 58 G CA -0.283 44.737 45.100 -0.132 0.000 1.051 58 G HN 0.561 nan 8.290 nan 0.000 0.553 59 S N -0.804 114.860 115.700 -0.060 0.000 2.382 59 S HA -0.042 4.428 4.470 -0.000 0.000 0.228 59 S C 1.273 175.836 174.600 -0.062 0.000 1.027 59 S CA 0.968 59.134 58.200 -0.057 0.000 0.991 59 S CB -0.306 62.880 63.200 -0.023 0.000 0.823 59 S HN 0.476 nan 8.310 nan 0.000 0.469 63 I N 0.881 121.372 120.570 -0.131 0.000 2.233 63 I HA -0.130 4.039 4.170 -0.000 0.000 0.243 63 I C 2.875 178.874 176.117 -0.197 0.000 1.093 63 I CA 1.375 62.589 61.300 -0.143 0.000 1.380 63 I CB -0.199 37.731 38.000 -0.117 0.000 1.067 63 I HN 0.409 nan 8.210 nan 0.000 0.413 64 A N 0.696 123.409 122.820 -0.179 0.000 1.898 64 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 64 A C 2.254 179.734 177.584 -0.174 0.000 1.181 64 A CA 1.529 53.459 52.037 -0.179 0.000 0.620 64 A CB -0.685 18.242 19.000 -0.121 0.000 0.819 64 A HN 0.386 nan 8.150 nan 0.000 0.442 65 I N -0.375 120.073 120.570 -0.204 0.000 2.439 65 I HA -0.062 4.108 4.170 -0.000 0.000 0.251 65 I C 2.416 178.459 176.117 -0.125 0.000 1.139 65 I CA 1.164 62.347 61.300 -0.196 0.000 1.438 65 I CB -0.335 37.492 38.000 -0.288 0.000 1.085 65 I HN 0.255 nan 8.210 nan 0.000 0.427 66 A N 0.454 123.195 122.820 -0.131 0.000 1.897 66 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 66 A C 2.427 179.954 177.584 -0.095 0.000 1.181 66 A CA 1.311 53.291 52.037 -0.096 0.000 0.620 66 A CB -0.577 18.366 19.000 -0.096 0.000 0.821 66 A HN 0.413 nan 8.150 nan 0.000 0.443 67 R N -0.400 119.986 120.500 -0.189 0.000 2.127 67 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 67 R C 2.097 178.399 176.300 0.003 0.000 1.134 67 R CA 1.125 57.072 56.100 -0.255 0.000 0.975 67 R CB -0.362 29.436 30.300 -0.836 0.000 0.865 67 R HN 0.497 nan 8.270 nan 0.000 0.447 68 A N -0.388 122.442 122.820 0.017 0.000 2.208 68 A HA 0.201 4.521 4.320 -0.000 0.000 0.209 68 A C 1.442 179.081 177.584 0.092 0.000 1.161 68 A CA 0.943 53.043 52.037 0.104 0.000 0.782 68 A CB 0.127 19.173 19.000 0.077 0.000 0.816 68 A HN 0.456 nan 8.150 nan 0.000 0.477 69 G N -2.702 106.134 108.800 0.059 0.000 2.184 69 G HA2 0.034 3.994 3.960 -0.000 0.000 0.206 69 G HA3 0.034 3.994 3.960 -0.000 0.000 0.206 69 G C 0.686 175.601 174.900 0.025 0.000 0.995 69 G CA 0.167 45.303 45.100 0.061 0.000 0.651 69 G HN 1.243 nan 8.290 nan 0.000 0.511 70 G N -0.925 107.874 108.800 -0.001 0.000 2.736 70 G HA2 0.783 4.743 3.960 -0.000 0.000 0.229 70 G HA3 0.783 4.743 3.960 -0.000 0.000 0.229 70 G C -0.835 174.046 174.900 -0.032 0.000 1.380 70 G CA -0.338 44.754 45.100 -0.013 0.000 1.040 70 G HN 1.069 nan 8.290 nan 0.000 0.568 71 L N -0.440 120.758 121.223 -0.042 0.000 2.436 71 L HA 0.755 5.095 4.340 -0.000 0.000 0.268 71 L C 0.097 176.919 176.870 -0.080 0.000 0.974 71 L CA -0.397 54.414 54.840 -0.049 0.000 0.826 71 L CB 1.844 43.890 42.059 -0.022 0.000 1.291 71 L HN 0.735 nan 8.230 nan 0.000 0.406 72 G N 3.549 112.291 108.800 -0.098 0.000 2.379 72 G HA2 0.588 4.548 3.960 -0.000 0.000 0.327 72 G HA3 0.588 4.548 3.960 -0.000 0.000 0.327 72 G C -1.498 173.336 174.900 -0.110 0.000 1.145 72 G CA -0.494 44.529 45.100 -0.128 0.000 0.905 72 G HN 0.463 nan 8.290 nan 0.000 0.466 73 V N 4.495 124.341 119.914 -0.113 0.000 2.313 73 V HA 0.203 4.323 4.120 -0.000 0.000 0.278 73 V C 0.041 176.039 176.094 -0.160 0.000 1.017 73 V CA -0.955 61.283 62.300 -0.103 0.000 0.823 73 V CB 0.971 32.758 31.823 -0.060 0.000 1.010 73 V HN 0.541 nan 8.190 nan 0.000 0.443 74 I N 5.644 126.107 120.570 -0.179 0.000 2.598 74 I HA 0.112 4.282 4.170 -0.000 0.000 0.284 74 I C 0.861 176.897 176.117 -0.135 0.000 1.140 74 I CA 0.052 61.193 61.300 -0.265 0.000 1.420 74 I CB 0.043 37.950 38.000 -0.156 0.000 1.387 74 I HN 0.742 nan 8.210 nan 0.000 0.553 75 H N 5.848 124.904 119.070 -0.023 0.000 2.757 75 H HA 0.174 4.729 4.556 -0.000 0.000 0.370 75 H C 0.570 175.884 175.328 -0.024 0.000 1.172 75 H CA -0.900 55.139 56.048 -0.016 0.000 1.426 75 H CB 0.114 29.876 29.762 0.001 0.000 1.438 75 H HN 0.533 nan 8.280 nan 0.000 0.612 76 K N 0.703 121.178 120.400 0.126 0.000 2.437 76 K HA 0.122 4.442 4.320 -0.000 0.000 0.205 76 K C 0.095 176.699 176.600 0.008 0.000 1.026 76 K CA -0.497 55.818 56.287 0.047 0.000 1.153 76 K CB 0.228 32.734 32.500 0.010 0.000 0.863 76 K HN 0.373 nan 8.250 nan 0.000 0.502 80 I N 1.090 121.669 120.570 0.015 0.000 2.208 80 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 80 I C 2.603 178.732 176.117 0.020 0.000 1.097 80 I CA 1.867 63.177 61.300 0.017 0.000 1.363 80 I CB -0.776 37.240 38.000 0.027 0.000 1.051 80 I HN 0.825 nan 8.210 nan 0.000 0.413 81 T N 0.222 114.790 114.554 0.023 0.000 2.746 81 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 81 T C 1.739 176.452 174.700 0.023 0.000 1.039 81 T CA 1.406 63.522 62.100 0.026 0.000 1.142 81 T CB -0.219 68.664 68.868 0.025 0.000 0.866 81 T HN 0.428 nan 8.240 nan 0.000 0.444 82 E N 0.800 121.011 120.200 0.019 0.000 2.106 82 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 82 E C 2.353 178.969 176.600 0.026 0.000 0.984 82 E CA 0.785 57.196 56.400 0.019 0.000 0.806 82 E CB -0.108 29.601 29.700 0.015 0.000 0.750 82 E HN 0.494 nan 8.360 nan 0.000 0.458 83 Q N 0.399 120.215 119.800 0.026 0.000 2.119 83 Q HA -0.121 4.219 4.340 -0.000 0.000 0.201 83 Q C 2.132 178.139 176.000 0.011 0.000 0.972 83 Q CA 1.159 56.978 55.803 0.027 0.000 0.847 83 Q CB -0.045 28.705 28.738 0.019 0.000 0.903 83 Q HN 0.245 nan 8.270 nan 0.000 0.433 84 A N 0.621 123.448 122.820 0.012 0.000 1.930 84 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 84 A C 1.850 179.451 177.584 0.029 0.000 1.175 84 A CA 1.722 53.768 52.037 0.015 0.000 0.627 84 A CB -0.526 18.489 19.000 0.026 0.000 0.815 84 A HN 0.438 nan 8.150 nan 0.000 0.443 85 E N 0.110 120.331 120.200 0.035 0.000 2.150 85 E HA -0.165 4.184 4.350 -0.000 0.000 0.193 85 E C 1.826 178.448 176.600 0.037 0.000 0.985 85 E CA 1.533 57.960 56.400 0.045 0.000 0.814 85 E CB -0.209 29.511 29.700 0.032 0.000 0.752 85 E HN 0.559 nan 8.360 nan 0.000 0.466 86 E N -0.489 119.726 120.200 0.025 0.000 2.077 86 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 86 E C 1.956 178.558 176.600 0.005 0.000 0.989 86 E CA 1.307 57.716 56.400 0.016 0.000 0.800 86 E CB -0.262 29.452 29.700 0.024 0.000 0.746 86 E HN 0.180 nan 8.360 nan 0.000 0.452 87 V N 0.686 120.601 119.914 0.001 0.000 2.358 87 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 87 V C 2.354 178.458 176.094 0.018 0.000 1.047 87 V CA 2.105 64.401 62.300 -0.006 0.000 1.035 87 V CB -0.440 31.374 31.823 -0.016 0.000 0.658 87 V HN 0.248 nan 8.190 nan 0.000 0.452 88 R N 0.036 120.560 120.500 0.041 0.000 2.091 88 R HA -0.174 4.166 4.340 -0.000 0.000 0.238 88 R C 2.402 178.746 176.300 0.074 0.000 1.136 88 R CA 1.451 57.590 56.100 0.066 0.000 0.959 88 R CB -0.364 30.000 30.300 0.106 0.000 0.856 88 R HN 0.496 nan 8.270 nan 0.000 0.437 89 K N 0.251 120.691 120.400 0.067 0.000 2.113 89 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 89 K C 2.038 178.660 176.600 0.036 0.000 1.047 89 K CA 1.456 57.780 56.287 0.063 0.000 0.928 89 K CB -0.105 32.416 32.500 0.036 0.000 0.716 89 K HN 0.046 nan 8.250 nan 0.000 0.446 90 V N 1.692 121.614 119.914 0.012 0.000 2.453 90 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 90 V C 2.034 178.132 176.094 0.005 0.000 1.048 90 V CA 1.501 63.796 62.300 -0.008 0.000 1.049 90 V CB -0.291 31.514 31.823 -0.029 0.000 0.672 90 V HN 0.212 nan 8.190 nan 0.000 0.457 91 K N 0.177 120.589 120.400 0.020 0.000 2.155 91 K HA -0.013 4.307 4.320 -0.000 0.000 0.203 91 K C 2.082 178.696 176.600 0.024 0.000 1.052 91 K CA 0.812 57.114 56.287 0.025 0.000 0.948 91 K CB -0.355 32.162 32.500 0.028 0.000 0.728 91 K HN 0.292 nan 8.250 nan 0.000 0.448 92 R N 0.586 121.111 120.500 0.042 0.000 2.307 92 R HA 0.082 4.422 4.340 -0.000 0.000 0.199 92 R C 2.127 178.465 176.300 0.063 0.000 1.000 92 R CA 0.256 56.392 56.100 0.060 0.000 1.023 92 R CB -0.511 29.875 30.300 0.144 0.000 0.908 92 R HN 0.137 nan 8.270 nan 0.000 0.473 93 S N 0.905 116.630 115.700 0.041 0.000 2.354 93 S HA -0.122 4.348 4.470 -0.000 0.000 0.219 93 S C 0.336 174.956 174.600 0.033 0.000 1.035 93 S CA 1.203 59.420 58.200 0.029 0.000 1.037 93 S CB 0.197 63.391 63.200 -0.011 0.000 0.956 93 S HN 0.333 nan 8.310 nan 0.000 0.428 94 E N 0.504 120.718 120.200 0.024 0.000 2.187 94 E HA 0.395 4.745 4.350 -0.000 0.000 0.268 94 E C -0.519 176.104 176.600 0.038 0.000 0.896 94 E CA -0.411 56.011 56.400 0.037 0.000 0.766 94 E CB 1.030 30.749 29.700 0.032 0.000 1.142 94 E HN 0.458 nan 8.360 nan 0.000 0.408 95 N N 1.773 120.497 118.700 0.039 0.000 2.735 95 N HA -0.230 4.510 4.740 -0.000 0.000 0.248 95 N C 1.033 176.545 175.510 0.004 0.000 1.083 95 N CA 0.004 53.072 53.050 0.029 0.000 0.703 95 N CB -0.545 37.973 38.487 0.051 0.000 1.005 95 N HN 0.825 nan 8.380 nan 0.000 0.550 96 G N 0.285 109.090 108.800 0.007 0.000 2.507 96 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.221 96 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.221 96 G C 1.115 175.954 174.900 -0.102 0.000 1.119 96 G CA 1.612 46.704 45.100 -0.014 0.000 0.751 96 G HN 0.538 nan 8.290 nan 0.000 0.574 97 V N -2.141 117.712 119.914 -0.102 0.000 3.070 97 V HA 0.451 4.571 4.120 -0.000 0.000 0.345 97 V C 1.730 177.745 176.094 -0.132 0.000 1.403 97 V CA -0.428 61.764 62.300 -0.179 0.000 1.155 97 V CB 0.247 31.968 31.823 -0.170 0.000 1.140 97 V HN 0.083 nan 8.190 nan 0.000 0.505 98 I N 2.147 122.657 120.570 -0.101 0.000 2.399 98 I HA 0.040 4.210 4.170 -0.000 0.000 0.254 98 I C 0.742 176.771 176.117 -0.147 0.000 1.146 98 I CA 1.793 63.045 61.300 -0.080 0.000 1.412 98 I CB 0.047 38.032 38.000 -0.024 0.000 1.076 98 I HN 0.665 nan 8.210 nan 0.000 0.432 99 I N -4.804 115.626 120.570 -0.232 0.000 3.006 99 I HA 0.360 4.530 4.170 -0.000 0.000 0.306 99 I C -1.097 174.863 176.117 -0.261 0.000 1.250 99 I CA -0.979 60.151 61.300 -0.284 0.000 0.996 99 I CB 1.848 39.537 38.000 -0.518 0.000 1.261 99 I HN -0.193 nan 8.210 nan 0.000 0.442 100 D N 1.548 121.826 120.400 -0.203 0.000 2.737 100 D HA -0.106 4.534 4.640 -0.000 0.000 0.238 100 D C -2.204 173.924 176.300 -0.288 0.000 1.157 100 D CA 0.530 54.416 54.000 -0.190 0.000 0.694 100 D CB -1.037 39.632 40.800 -0.219 0.000 1.021 100 D HN 0.610 nan 8.370 nan 0.000 0.420 101 P HA 0.194 nan 4.420 nan 0.000 0.274 101 P C 0.109 177.253 177.300 -0.260 0.000 1.246 101 P CA -0.414 62.554 63.100 -0.220 0.000 0.795 101 P CB 0.543 32.239 31.700 -0.007 0.000 1.006 102 F N 0.779 120.666 119.950 -0.106 0.000 2.371 102 F HA 0.513 5.040 4.527 -0.000 0.000 0.329 102 F C 0.632 176.372 175.800 -0.101 0.000 1.107 102 F CA 0.308 58.129 58.000 -0.298 0.000 1.137 102 F CB 0.327 39.134 39.000 -0.321 0.000 1.214 102 F HN 0.262 nan 8.300 nan 0.000 0.536 103 F N 0.068 120.069 119.950 0.084 0.000 2.744 103 F HA 0.779 5.306 4.527 -0.000 0.000 0.311 103 F C -2.251 173.541 175.800 -0.013 0.000 1.144 103 F CA -1.659 56.355 58.000 0.023 0.000 0.938 103 F CB 0.834 39.838 39.000 0.006 0.000 1.292 103 F HN 0.299 nan 8.300 nan 0.000 0.444 104 L N 0.985 122.355 121.223 0.245 0.000 2.322 104 L HA 0.832 5.172 4.340 -0.000 0.000 0.252 104 L C -0.190 176.869 176.870 0.314 0.000 1.055 104 L CA -0.980 53.949 54.840 0.148 0.000 0.849 104 L CB 2.855 44.870 42.059 -0.073 0.000 1.446 104 L HN 1.007 nan 8.230 nan 0.000 0.416 105 T N -3.836 111.029 114.554 0.518 0.000 2.923 105 T HA 0.425 4.775 4.350 -0.000 0.000 0.281 105 T C -2.311 172.496 174.700 0.178 0.000 0.995 105 T CA -1.878 60.383 62.100 0.268 0.000 0.985 105 T CB 1.886 70.843 68.868 0.148 0.000 1.114 105 T HN 0.267 nan 8.240 nan 0.000 0.548 106 P HA -0.038 nan 4.420 nan 0.000 0.219 106 P C 1.445 178.763 177.300 0.030 0.000 1.150 106 P CA 0.717 63.845 63.100 0.047 0.000 0.814 106 P CB 0.093 31.803 31.700 0.017 0.000 0.787 107 E N -1.040 119.150 120.200 -0.016 0.000 2.049 107 E HA -0.175 4.175 4.350 -0.000 0.000 0.198 107 E C 0.881 177.442 176.600 -0.064 0.000 1.007 107 E CA 1.165 57.519 56.400 -0.077 0.000 0.809 107 E CB -1.514 28.087 29.700 -0.165 0.000 0.749 107 E HN 0.440 nan 8.360 nan 0.000 0.450 108 H N 1.034 120.120 119.070 0.027 0.000 3.077 108 H HA 0.094 4.649 4.556 -0.000 0.000 0.361 108 H C 0.812 176.155 175.328 0.025 0.000 1.195 108 H CA 1.339 57.402 56.048 0.025 0.000 1.389 108 H CB 0.036 29.813 29.762 0.026 0.000 1.323 108 H HN 0.114 nan 8.280 nan 0.000 0.606 109 K N 1.711 122.217 120.400 0.176 0.000 2.130 109 K HA 0.334 4.653 4.320 -0.000 0.000 0.268 109 K C 1.237 177.880 176.600 0.072 0.000 0.983 109 K CA 0.076 56.430 56.287 0.112 0.000 0.893 109 K CB 1.018 33.580 32.500 0.103 0.000 1.066 109 K HN 0.491 nan 8.250 nan 0.000 0.450 110 V N 1.403 121.345 119.914 0.047 0.000 2.527 110 V HA -0.271 3.849 4.120 -0.000 0.000 0.255 110 V C 1.968 177.955 176.094 -0.179 0.000 1.081 110 V CA 3.300 65.551 62.300 -0.081 0.000 1.092 110 V CB -0.539 31.211 31.823 -0.122 0.000 0.673 110 V HN 0.913 nan 8.190 nan 0.000 0.470 111 S N 0.058 115.734 115.700 -0.040 0.000 2.356 111 S HA -0.218 4.252 4.470 -0.000 0.000 0.223 111 S C 1.695 176.290 174.600 -0.008 0.000 1.032 111 S CA 1.953 60.167 58.200 0.024 0.000 1.005 111 S CB -0.385 62.887 63.200 0.121 0.000 0.867 111 S HN 0.843 nan 8.310 nan 0.000 0.449 112 E N 1.343 121.544 120.200 0.001 0.000 2.204 112 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 112 E C 2.269 178.820 176.600 -0.081 0.000 0.990 112 E CA 0.884 57.268 56.400 -0.028 0.000 0.821 112 E CB -0.234 29.459 29.700 -0.012 0.000 0.750 112 E HN 0.528 nan 8.360 nan 0.000 0.477 113 A N 1.522 124.288 122.820 -0.091 0.000 1.898 113 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 113 A C 2.274 179.793 177.584 -0.107 0.000 1.181 113 A CA 1.853 53.826 52.037 -0.106 0.000 0.620 113 A CB -0.798 18.143 19.000 -0.099 0.000 0.819 113 A HN 0.355 nan 8.150 nan 0.000 0.442 114 E N 0.428 120.551 120.200 -0.129 0.000 2.208 114 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 114 E C 1.690 178.268 176.600 -0.037 0.000 0.988 114 E CA 1.193 57.541 56.400 -0.087 0.000 0.828 114 E CB -0.700 28.950 29.700 -0.085 0.000 0.763 114 E HN 0.846 nan 8.360 nan 0.000 0.478 115 E N -0.309 119.869 120.200 -0.037 0.000 2.031 115 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 115 E C 1.135 177.708 176.600 -0.046 0.000 0.994 115 E CA 1.012 57.394 56.400 -0.031 0.000 0.800 115 E CB -0.532 29.152 29.700 -0.026 0.000 0.752 115 E HN 0.599 nan 8.360 nan 0.000 0.447 119 R N -0.527 119.883 120.500 -0.150 0.000 2.062 119 R HA 0.023 4.363 4.340 -0.000 0.000 0.226 119 R C 0.602 176.608 176.300 -0.490 0.000 1.125 119 R CA 1.457 57.352 56.100 -0.341 0.000 0.966 119 R CB 0.116 30.137 30.300 -0.465 0.000 0.861 119 R HN 0.213 nan 8.270 nan 0.000 0.433 120 Y N -0.175 120.007 120.300 -0.197 0.000 2.485 120 Y HA 0.287 4.837 4.550 -0.000 0.000 0.260 120 Y C 0.411 176.260 175.900 -0.084 0.000 1.173 120 Y CA 0.425 58.421 58.100 -0.173 0.000 1.252 120 Y CB 0.296 38.512 38.460 -0.406 0.000 1.123 120 Y HN 0.144 nan 8.280 nan 0.000 0.524 121 R N 1.497 122.008 120.500 0.018 0.000 2.564 121 R HA -0.126 4.214 4.340 -0.000 0.000 0.298 121 R C -0.554 175.782 176.300 0.061 0.000 1.011 121 R CA 1.023 57.140 56.100 0.029 0.000 0.867 121 R CB -3.229 27.086 30.300 0.025 0.000 2.352 121 R HN 0.776 nan 8.270 nan 0.000 0.511 122 I N -2.360 118.238 120.570 0.047 0.000 2.827 122 I HA 0.660 4.830 4.170 -0.000 0.000 0.298 122 I C 0.912 177.053 176.117 0.040 0.000 1.235 122 I CA -0.388 60.947 61.300 0.059 0.000 1.021 122 I CB 2.326 40.374 38.000 0.079 0.000 1.259 122 I HN 0.244 nan 8.210 nan 0.000 0.427 123 S N 2.874 118.601 115.700 0.046 0.000 2.461 123 S HA 0.324 4.793 4.470 -0.000 0.000 0.228 123 S C 0.598 175.217 174.600 0.032 0.000 1.005 123 S CA 0.888 59.111 58.200 0.038 0.000 0.942 123 S CB -0.238 62.987 63.200 0.042 0.000 0.776 123 S HN 1.053 nan 8.310 nan 0.000 0.514 124 G N -0.441 108.382 108.800 0.037 0.000 2.690 124 G HA2 0.570 4.530 3.960 -0.000 0.000 0.293 124 G HA3 0.570 4.530 3.960 -0.000 0.000 0.293 124 G C -1.914 173.011 174.900 0.041 0.000 1.399 124 G CA -0.445 44.674 45.100 0.032 0.000 0.890 124 G HN 0.154 nan 8.290 nan 0.000 0.485 125 V N 1.917 121.851 119.914 0.034 0.000 2.409 125 V HA 0.359 4.479 4.120 -0.000 0.000 0.290 125 V C -2.307 173.827 176.094 0.067 0.000 1.017 125 V CA -1.526 60.804 62.300 0.049 0.000 0.841 125 V CB 2.020 33.849 31.823 0.010 0.000 1.003 125 V HN 0.554 nan 8.190 nan 0.000 0.426 126 P HA 0.150 nan 4.420 nan 0.000 0.265 126 P C -0.713 176.657 177.300 0.117 0.000 1.193 126 P CA 0.202 63.357 63.100 0.092 0.000 0.765 126 P CB 0.404 32.172 31.700 0.112 0.000 0.823 127 I N 4.118 124.729 120.570 0.070 0.000 2.389 127 I HA 0.257 4.427 4.170 -0.000 0.000 0.288 127 I C 0.282 176.420 176.117 0.036 0.000 0.999 127 I CA -0.782 60.565 61.300 0.078 0.000 1.129 127 I CB 1.338 39.372 38.000 0.056 0.000 1.288 127 I HN 0.109 nan 8.210 nan 0.000 0.444 128 V N 2.908 122.847 119.914 0.042 0.000 2.769 128 V HA 0.537 4.657 4.120 -0.000 0.000 0.312 128 V C 1.087 177.180 176.094 -0.001 0.000 1.058 128 V CA -0.596 61.680 62.300 -0.039 0.000 0.952 128 V CB 2.208 33.919 31.823 -0.186 0.000 1.019 128 V HN 0.856 nan 8.190 nan 0.000 0.445 129 E N 1.682 121.865 120.200 -0.029 0.000 2.038 129 E HA -0.086 4.264 4.350 -0.000 0.000 0.195 129 E C 0.327 176.927 176.600 0.001 0.000 1.000 129 E CA 1.802 58.193 56.400 -0.014 0.000 0.803 129 E CB 0.133 29.817 29.700 -0.027 0.000 0.750 129 E HN 0.890 nan 8.360 nan 0.000 0.448 130 T N -0.123 114.425 114.554 -0.010 0.000 2.886 130 T HA 0.282 4.632 4.350 -0.000 0.000 0.292 130 T C 0.837 175.556 174.700 0.031 0.000 1.012 130 T CA -0.616 61.492 62.100 0.014 0.000 0.982 130 T CB 1.618 70.485 68.868 -0.001 0.000 1.018 130 T HN 0.067 nan 8.240 nan 0.000 0.451 131 L N 1.433 122.730 121.223 0.123 0.000 2.129 131 L HA -0.165 4.174 4.340 -0.000 0.000 0.212 131 L C 2.674 179.626 176.870 0.137 0.000 1.087 131 L CA 1.584 56.571 54.840 0.246 0.000 0.757 131 L CB -0.480 41.757 42.059 0.297 0.000 0.896 131 L HN 0.801 nan 8.230 nan 0.000 0.434 132 A N -0.175 122.684 122.820 0.065 0.000 1.975 132 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 132 A C 1.919 179.489 177.584 -0.023 0.000 1.170 132 A CA 1.306 53.361 52.037 0.030 0.000 0.656 132 A CB -0.345 18.671 19.000 0.028 0.000 0.821 132 A HN 0.403 nan 8.150 nan 0.000 0.449 133 N N -0.757 117.916 118.700 -0.044 0.000 2.290 133 N HA 0.013 4.753 4.740 -0.000 0.000 0.179 133 N C 0.364 175.795 175.510 -0.131 0.000 1.016 133 N CA 0.657 53.666 53.050 -0.070 0.000 0.871 133 N CB -0.178 38.276 38.487 -0.054 0.000 0.987 133 N HN 0.389 nan 8.380 nan 0.000 0.431 134 R N -0.374 120.002 120.500 -0.208 0.000 3.758 134 R HA -0.193 4.146 4.340 -0.000 0.000 0.299 134 R C -0.636 175.511 176.300 -0.254 0.000 1.182 134 R CA 0.490 56.368 56.100 -0.369 0.000 0.809 134 R CB -1.674 28.357 30.300 -0.448 0.000 1.249 134 R HN 0.276 nan 8.270 nan 0.000 0.497 135 K N 1.687 121.990 120.400 -0.161 0.000 2.349 135 K HA 0.176 4.496 4.320 -0.000 0.000 0.289 135 K C 0.230 176.764 176.600 -0.110 0.000 1.064 135 K CA -0.226 55.992 56.287 -0.115 0.000 0.947 135 K CB 0.515 32.969 32.500 -0.078 0.000 1.007 135 K HN 0.135 nan 8.250 nan 0.000 0.478 136 L N 6.122 127.281 121.223 -0.107 0.000 2.513 136 L HA -0.033 4.307 4.340 -0.000 0.000 0.272 136 L C 0.951 177.784 176.870 -0.060 0.000 1.187 136 L CA -0.064 54.725 54.840 -0.086 0.000 0.895 136 L CB 0.773 42.782 42.059 -0.083 0.000 1.147 136 L HN 0.665 nan 8.230 nan 0.000 0.483 137 V N 1.379 121.268 119.914 -0.042 0.000 3.612 137 V HA 0.629 4.749 4.120 -0.000 0.000 0.268 137 V C 0.610 176.691 176.094 -0.021 0.000 1.365 137 V CA 0.597 62.880 62.300 -0.029 0.000 1.044 137 V CB 0.102 31.914 31.823 -0.018 0.000 0.820 137 V HN 0.903 nan 8.190 nan 0.000 0.444 138 G N -0.233 108.557 108.800 -0.017 0.000 2.335 138 G HA2 0.537 4.496 3.960 -0.000 0.000 0.291 138 G HA3 0.537 4.496 3.960 -0.000 0.000 0.291 138 G C -2.060 172.840 174.900 -0.000 0.000 1.261 138 G CA 0.016 45.109 45.100 -0.012 0.000 0.871 138 G HN 0.638 nan 8.290 nan 0.000 0.491 139 I N -0.073 120.499 120.570 0.003 0.000 2.710 139 I HA 0.622 4.792 4.170 -0.000 0.000 0.290 139 I C -1.535 174.588 176.117 0.011 0.000 1.318 139 I CA -0.993 60.315 61.300 0.013 0.000 1.045 139 I CB 1.729 39.736 38.000 0.011 0.000 1.307 139 I HN 0.723 nan 8.210 nan 0.000 0.424 140 I N 7.420 127.998 120.570 0.014 0.000 2.385 140 I HA 0.535 4.705 4.170 -0.000 0.000 0.294 140 I C -0.200 175.920 176.117 0.004 0.000 0.988 140 I CA 0.165 61.468 61.300 0.004 0.000 1.265 140 I CB 1.464 39.462 38.000 -0.004 0.000 1.388 140 I HN 0.782 nan 8.210 nan 0.000 0.480 141 T N 2.279 116.836 114.554 0.004 0.000 2.907 141 T HA 0.362 4.712 4.350 -0.000 0.000 0.290 141 T C 0.849 175.559 174.700 0.017 0.000 1.066 141 T CA -0.888 61.219 62.100 0.013 0.000 1.012 141 T CB 1.309 70.189 68.868 0.020 0.000 1.184 141 T HN 0.562 nan 8.240 nan 0.000 0.522 142 N N 0.846 119.562 118.700 0.026 0.000 2.037 142 N HA -0.245 4.495 4.740 -0.000 0.000 0.196 142 N C 2.536 178.080 175.510 0.056 0.000 1.034 142 N CA 2.242 55.315 53.050 0.038 0.000 0.861 142 N CB -0.993 37.519 38.487 0.041 0.000 1.039 142 N HN 0.807 nan 8.380 nan 0.000 0.427 143 R N 1.738 122.270 120.500 0.055 0.000 2.119 143 R HA -0.132 4.208 4.340 -0.000 0.000 0.246 143 R C 1.043 177.400 176.300 0.095 0.000 1.146 143 R CA 1.775 57.918 56.100 0.072 0.000 0.962 143 R CB -1.444 28.889 30.300 0.055 0.000 0.863 143 R HN 0.371 nan 8.270 nan 0.000 0.442 147 F N 2.631 122.599 119.950 0.031 0.000 2.259 147 F HA 0.288 4.815 4.527 -0.000 0.000 0.298 147 F C 0.783 176.573 175.800 -0.016 0.000 1.088 147 F CA 0.681 58.690 58.000 0.014 0.000 1.358 147 F CB 0.274 39.288 39.000 0.022 0.000 1.040 147 F HN -0.181 nan 8.300 nan 0.000 0.505 148 I N 0.768 121.496 120.570 0.263 0.000 2.533 148 I HA -0.038 4.132 4.170 -0.000 0.000 0.284 148 I C 1.493 177.629 176.117 0.032 0.000 1.109 148 I CA 0.203 61.534 61.300 0.052 0.000 1.412 148 I CB 1.129 39.133 38.000 0.007 0.000 1.396 148 I HN 0.100 nan 8.210 nan 0.000 0.543 149 S N 4.113 119.762 115.700 -0.086 0.000 2.339 149 S HA -0.060 4.410 4.470 -0.000 0.000 0.213 149 S C 0.683 175.232 174.600 -0.085 0.000 1.033 149 S CA 0.485 58.629 58.200 -0.093 0.000 0.950 149 S CB 0.172 63.319 63.200 -0.088 0.000 0.893 149 S HN 0.756 nan 8.310 nan 0.000 0.492 150 D N -0.163 120.243 120.400 0.010 0.000 2.373 150 D HA 0.146 4.786 4.640 -0.000 0.000 0.227 150 D C 0.174 176.629 176.300 0.259 0.000 1.091 150 D CA -0.399 53.643 54.000 0.070 0.000 0.840 150 D CB 0.516 41.366 40.800 0.085 0.000 1.060 150 D HN 0.521 nan 8.370 nan 0.000 0.502 151 Y N 2.407 122.718 120.300 0.019 0.000 2.509 151 Y HA -0.070 4.480 4.550 -0.000 0.000 0.293 151 Y C 1.762 177.702 175.900 0.068 0.000 1.133 151 Y CA -0.029 58.096 58.100 0.041 0.000 1.283 151 Y CB 0.235 38.710 38.460 0.024 0.000 1.001 151 Y HN 0.402 nan 8.280 nan 0.000 0.555 152 N N 1.084 119.915 118.700 0.218 0.000 3.111 152 N HA 0.284 5.023 4.740 -0.000 0.000 0.302 152 N C -0.943 174.650 175.510 0.139 0.000 1.317 152 N CA -0.278 52.860 53.050 0.146 0.000 1.151 152 N CB -0.133 38.415 38.487 0.101 0.000 1.456 152 N HN 0.131 nan 8.380 nan 0.000 0.547 153 A N 1.266 124.185 122.820 0.166 0.000 2.572 153 A HA 0.511 4.831 4.320 -0.000 0.000 0.295 153 A C -2.833 174.826 177.584 0.125 0.000 1.072 153 A CA -1.371 50.756 52.037 0.149 0.000 0.691 153 A CB 1.264 20.397 19.000 0.221 0.000 1.291 153 A HN 0.173 nan 8.150 nan 0.000 0.404 154 P HA 0.045 nan 4.420 nan 0.000 0.261 154 P C 0.886 178.220 177.300 0.057 0.000 1.183 154 P CA 0.135 63.264 63.100 0.048 0.000 0.761 154 P CB 0.349 32.054 31.700 0.009 0.000 0.785 155 I N 2.416 123.032 120.570 0.078 0.000 2.953 155 I HA -0.272 3.898 4.170 -0.000 0.000 0.271 155 I C 1.781 177.926 176.117 0.046 0.000 1.286 155 I CA 1.338 62.685 61.300 0.078 0.000 1.449 155 I CB 0.021 38.064 38.000 0.072 0.000 1.086 155 I HN 0.341 nan 8.210 nan 0.000 0.483 156 S N 0.967 116.674 115.700 0.011 0.000 2.335 156 S HA -0.204 4.265 4.470 -0.000 0.000 0.217 156 S C 1.761 176.317 174.600 -0.073 0.000 1.032 156 S CA 1.499 59.688 58.200 -0.019 0.000 0.985 156 S CB -0.225 62.962 63.200 -0.022 0.000 0.896 156 S HN 0.569 nan 8.310 nan 0.000 0.445 157 E N 0.143 120.251 120.200 -0.153 0.000 2.208 157 E HA -0.175 4.175 4.350 -0.000 0.000 0.202 157 E C 0.465 176.829 176.600 -0.393 0.000 1.014 157 E CA 1.281 57.496 56.400 -0.309 0.000 0.819 157 E CB -0.180 29.243 29.700 -0.461 0.000 0.735 157 E HN 0.631 nan 8.360 nan 0.000 0.469 161 S N 2.768 118.459 115.700 -0.016 0.000 3.697 161 S HA 0.189 4.659 4.470 -0.000 0.000 0.207 161 S C 0.848 175.452 174.600 0.007 0.000 1.459 161 S CA -0.459 57.738 58.200 -0.006 0.000 1.122 161 S CB 0.149 63.345 63.200 -0.007 0.000 1.311 161 S HN 0.411 nan 8.310 nan 0.000 0.487 162 E N 0.853 121.061 120.200 0.012 0.000 3.099 162 E HA 0.162 4.512 4.350 -0.000 0.000 0.259 162 E C -0.074 176.574 176.600 0.080 0.000 1.274 162 E CA -0.661 55.763 56.400 0.039 0.000 1.111 162 E CB 0.115 29.834 29.700 0.031 0.000 1.327 162 E HN 0.341 nan 8.360 nan 0.000 0.652 163 H N 0.672 119.732 119.070 -0.016 0.000 3.004 163 H HA 0.212 4.768 4.556 -0.000 0.000 0.267 163 H C -0.359 174.948 175.328 -0.034 0.000 1.165 163 H CA -0.110 55.926 56.048 -0.020 0.000 1.450 163 H CB -0.928 28.828 29.762 -0.010 0.000 1.488 163 H HN 0.142 nan 8.280 nan 0.000 0.478 164 L N 5.562 126.660 121.223 -0.208 0.000 2.513 164 L HA 0.044 4.384 4.340 -0.000 0.000 0.272 164 L C -0.170 176.502 176.870 -0.331 0.000 1.187 164 L CA -0.149 54.563 54.840 -0.214 0.000 0.895 164 L CB 0.360 42.326 42.059 -0.154 0.000 1.147 164 L HN 0.368 nan 8.230 nan 0.000 0.483 165 V N 3.062 122.825 119.914 -0.252 0.000 2.370 165 V HA 0.511 4.631 4.120 -0.000 0.000 0.283 165 V C 0.401 176.364 176.094 -0.219 0.000 1.023 165 V CA -0.313 61.801 62.300 -0.310 0.000 0.857 165 V CB 1.490 33.077 31.823 -0.393 0.000 0.985 165 V HN 0.976 nan 8.190 nan 0.000 0.443 166 T N 2.060 116.497 114.554 -0.196 0.000 2.804 166 T HA 0.939 5.289 4.350 -0.000 0.000 0.290 166 T C -0.576 174.065 174.700 -0.098 0.000 1.099 166 T CA -0.454 61.569 62.100 -0.127 0.000 1.011 166 T CB 2.311 71.114 68.868 -0.109 0.000 1.291 166 T HN 1.049 nan 8.240 nan 0.000 0.523 167 A N 0.197 122.977 122.820 -0.067 0.000 2.498 167 A HA 0.938 5.258 4.320 -0.000 0.000 0.298 167 A C 0.102 177.664 177.584 -0.038 0.000 1.075 167 A CA -0.659 51.352 52.037 -0.044 0.000 0.714 167 A CB 1.121 20.103 19.000 -0.031 0.000 1.299 167 A HN 1.611 nan 8.150 nan 0.000 0.407 168 A N 0.389 123.192 122.820 -0.027 0.000 2.406 168 A HA 0.523 4.843 4.320 -0.000 0.000 0.243 168 A C 0.388 177.960 177.584 -0.019 0.000 1.082 168 A CA -0.178 51.844 52.037 -0.024 0.000 0.786 168 A CB -0.159 18.831 19.000 -0.017 0.000 1.029 168 A HN 1.420 nan 8.150 nan 0.000 0.495 169 V N 1.318 121.220 119.914 -0.020 0.000 2.694 169 V HA 0.385 4.505 4.120 -0.000 0.000 0.306 169 V C 1.636 177.731 176.094 0.001 0.000 1.054 169 V CA 1.725 64.017 62.300 -0.013 0.000 1.161 169 V CB 0.091 31.905 31.823 -0.015 0.000 0.916 169 V HN 1.985 nan 8.190 nan 0.000 0.490 170 G N 3.259 112.067 108.800 0.013 0.000 2.175 170 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 170 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 170 G C 0.370 175.280 174.900 0.017 0.000 0.982 170 G CA 0.197 45.311 45.100 0.025 0.000 0.641 170 G HN 1.277 nan 8.290 nan 0.000 0.527 171 T N 0.859 115.418 114.554 0.007 0.000 2.916 171 T HA 0.472 4.822 4.350 -0.000 0.000 0.303 171 T C 0.512 175.217 174.700 0.008 0.000 1.025 171 T CA 0.443 62.545 62.100 0.004 0.000 1.142 171 T CB 1.379 70.245 68.868 -0.003 0.000 0.947 171 T HN 0.608 nan 8.240 nan 0.000 0.544 172 D N 2.906 123.309 120.400 0.006 0.000 2.411 172 D HA 0.126 4.766 4.640 -0.000 0.000 0.251 172 D C 1.531 177.830 176.300 -0.001 0.000 1.201 172 D CA -1.070 52.935 54.000 0.007 0.000 0.996 172 D CB 0.408 41.210 40.800 0.004 0.000 1.101 172 D HN 0.481 nan 8.370 nan 0.000 0.504 173 L N -0.880 120.343 121.223 0.000 0.000 2.131 173 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 173 L C 2.445 179.299 176.870 -0.028 0.000 1.092 173 L CA 1.354 56.188 54.840 -0.009 0.000 0.759 173 L CB -0.532 41.527 42.059 -0.000 0.000 0.903 173 L HN 0.598 nan 8.230 nan 0.000 0.435 174 E N -0.277 119.910 120.200 -0.023 0.000 2.077 174 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 174 E C 2.163 178.739 176.600 -0.039 0.000 0.989 174 E CA 1.778 58.160 56.400 -0.031 0.000 0.800 174 E CB 0.103 29.792 29.700 -0.018 0.000 0.746 174 E HN 0.297 nan 8.360 nan 0.000 0.452 175 T N -0.860 113.679 114.554 -0.026 0.000 2.942 175 T HA 0.058 4.408 4.350 -0.000 0.000 0.265 175 T C 1.725 176.408 174.700 -0.028 0.000 1.062 175 T CA 1.137 63.224 62.100 -0.021 0.000 1.139 175 T CB -0.133 68.730 68.868 -0.008 0.000 0.883 175 T HN 0.262 nan 8.240 nan 0.000 0.468 176 A N 1.141 123.942 122.820 -0.032 0.000 1.902 176 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 176 A C 2.199 179.740 177.584 -0.072 0.000 1.181 176 A CA 2.007 54.025 52.037 -0.032 0.000 0.623 176 A CB -0.831 18.154 19.000 -0.024 0.000 0.818 176 A HN 0.733 nan 8.150 nan 0.000 0.443 177 E N -0.294 119.829 120.200 -0.128 0.000 2.085 177 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 177 E C 2.266 178.623 176.600 -0.405 0.000 0.994 177 E CA 1.395 57.615 56.400 -0.300 0.000 0.801 177 E CB -0.158 29.368 29.700 -0.289 0.000 0.743 177 E HN 0.609 nan 8.360 nan 0.000 0.453 178 R N 0.327 120.712 120.500 -0.190 0.000 2.073 178 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 178 R C 2.416 178.715 176.300 -0.001 0.000 1.134 178 R CA 1.596 57.646 56.100 -0.084 0.000 0.952 178 R CB -0.220 30.062 30.300 -0.030 0.000 0.850 178 R HN 0.252 nan 8.270 nan 0.000 0.433 179 I N 0.790 121.378 120.570 0.031 0.000 2.252 179 I HA -0.276 3.893 4.170 -0.000 0.000 0.245 179 I C 2.199 178.457 176.117 0.236 0.000 1.102 179 I CA 1.049 62.443 61.300 0.158 0.000 1.385 179 I CB -0.236 37.833 38.000 0.114 0.000 1.064 179 I HN 0.212 nan 8.210 nan 0.000 0.414 180 L N -0.115 121.171 121.223 0.104 0.000 2.083 180 L HA -0.246 4.094 4.340 -0.000 0.000 0.209 180 L C 2.549 179.551 176.870 0.221 0.000 1.083 180 L CA 1.570 56.491 54.840 0.135 0.000 0.752 180 L CB -0.832 41.265 42.059 0.062 0.000 0.899 180 L HN 0.350 nan 8.230 nan 0.000 0.433 181 H N -1.107 117.993 119.070 0.050 0.000 2.395 181 H HA -0.162 4.394 4.556 -0.000 0.000 0.299 181 H C 2.104 177.416 175.328 -0.027 0.000 1.070 181 H CA 0.986 57.042 56.048 0.014 0.000 1.356 181 H CB 0.336 30.101 29.762 0.005 0.000 1.401 181 H HN 0.363 nan 8.280 nan 0.000 0.524 182 E N 0.540 120.767 120.200 0.045 0.000 2.274 182 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 182 E C 0.820 177.214 176.600 -0.343 0.000 0.996 182 E CA 0.697 56.987 56.400 -0.184 0.000 0.840 182 E CB 0.265 29.770 29.700 -0.325 0.000 0.772 182 E HN 0.636 nan 8.360 nan 0.000 0.491 183 H N -0.090 119.017 119.070 0.062 0.000 2.594 183 H HA 0.258 4.814 4.556 -0.000 0.000 0.279 183 H C -0.042 175.315 175.328 0.048 0.000 1.042 183 H CA -0.027 56.051 56.048 0.049 0.000 1.177 183 H CB 0.374 30.161 29.762 0.041 0.000 1.524 183 H HN 0.075 nan 8.280 nan 0.000 0.537 184 R N 1.097 121.665 120.500 0.114 0.000 3.251 184 R HA -0.155 4.185 4.340 -0.000 0.000 0.249 184 R C -0.221 176.139 176.300 0.100 0.000 0.949 184 R CA 0.656 56.808 56.100 0.085 0.000 0.645 184 R CB -2.134 28.195 30.300 0.049 0.000 1.065 184 R HN 0.468 nan 8.270 nan 0.000 0.452 185 I N -4.493 116.152 120.570 0.125 0.000 3.002 185 I HA 0.362 4.532 4.170 -0.000 0.000 0.310 185 I C 0.715 176.887 176.117 0.092 0.000 1.087 185 I CA -1.017 60.340 61.300 0.097 0.000 1.017 185 I CB 2.137 40.189 38.000 0.086 0.000 1.226 185 I HN -0.080 nan 8.210 nan 0.000 0.443 186 E N 0.801 121.042 120.200 0.068 0.000 2.413 186 E HA 0.167 4.517 4.350 -0.000 0.000 0.203 186 E C -0.562 176.068 176.600 0.050 0.000 0.957 186 E CA 0.223 56.661 56.400 0.064 0.000 0.950 186 E CB 0.594 30.329 29.700 0.057 0.000 0.957 186 E HN 0.420 nan 8.360 nan 0.000 0.497 187 K N 1.136 121.559 120.400 0.038 0.000 2.292 187 K HA 0.381 4.701 4.320 -0.000 0.000 0.257 187 K C -1.315 175.290 176.600 0.009 0.000 0.940 187 K CA -0.574 55.728 56.287 0.026 0.000 0.811 187 K CB 1.964 34.479 32.500 0.025 0.000 1.120 187 K HN -0.119 nan 8.250 nan 0.000 0.428 188 L N 5.106 126.330 121.223 0.001 0.000 2.353 188 L HA 0.503 4.843 4.340 -0.000 0.000 0.270 188 L C -2.721 174.133 176.870 -0.027 0.000 1.003 188 L CA -2.013 52.816 54.840 -0.019 0.000 0.862 188 L CB 1.296 43.346 42.059 -0.015 0.000 1.221 188 L HN 0.421 nan 8.230 nan 0.000 0.430 189 P HA 0.193 nan 4.420 nan 0.000 0.268 189 P C -1.080 176.191 177.300 -0.049 0.000 1.205 189 P CA 0.143 63.219 63.100 -0.041 0.000 0.771 189 P CB 0.589 32.260 31.700 -0.048 0.000 0.858 190 L N 3.571 124.766 121.223 -0.047 0.000 2.287 190 L HA 0.613 4.953 4.340 -0.000 0.000 0.287 190 L C 0.197 177.033 176.870 -0.058 0.000 1.022 190 L CA -0.924 53.888 54.840 -0.047 0.000 0.814 190 L CB 1.412 43.448 42.059 -0.038 0.000 1.217 190 L HN 0.184 nan 8.230 nan 0.000 0.420 191 V N -0.952 118.927 119.914 -0.059 0.000 3.040 191 V HA 0.654 4.774 4.120 -0.000 0.000 0.312 191 V C -0.775 175.287 176.094 -0.054 0.000 1.115 191 V CA -0.941 61.320 62.300 -0.065 0.000 0.998 191 V CB 2.114 33.893 31.823 -0.073 0.000 1.042 191 V HN 0.751 nan 8.190 nan 0.000 0.433 192 D N 1.177 121.544 120.400 -0.054 0.000 2.451 192 D HA 0.224 4.864 4.640 -0.000 0.000 0.259 192 D C 0.597 176.873 176.300 -0.040 0.000 1.201 192 D CA -0.517 53.458 54.000 -0.042 0.000 1.028 192 D CB 0.225 41.001 40.800 -0.040 0.000 1.095 192 D HN 0.489 nan 8.370 nan 0.000 0.539 193 N N -1.448 117.233 118.700 -0.031 0.000 2.588 193 N HA -0.077 4.663 4.740 -0.000 0.000 0.190 193 N C 0.404 175.896 175.510 -0.030 0.000 1.094 193 N CA 0.600 53.633 53.050 -0.028 0.000 0.921 193 N CB 0.020 38.495 38.487 -0.021 0.000 0.959 193 N HN 0.286 nan 8.380 nan 0.000 0.448 194 S N -1.698 113.980 115.700 -0.036 0.000 2.554 194 S HA 0.306 4.776 4.470 -0.000 0.000 0.226 194 S C 1.083 175.655 174.600 -0.046 0.000 0.980 194 S CA 0.191 58.368 58.200 -0.037 0.000 0.939 194 S CB 0.674 63.852 63.200 -0.036 0.000 0.832 194 S HN 0.473 nan 8.310 nan 0.000 0.486 195 G N 2.587 111.355 108.800 -0.053 0.000 2.148 195 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 195 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 195 G C 0.076 174.929 174.900 -0.079 0.000 0.981 195 G CA 0.076 45.138 45.100 -0.063 0.000 0.670 195 G HN 0.526 nan 8.290 nan 0.000 0.528 196 R N 0.040 120.491 120.500 -0.082 0.000 2.298 196 R HA 0.530 4.870 4.340 -0.000 0.000 0.310 196 R C 0.371 176.600 176.300 -0.120 0.000 1.068 196 R CA -0.858 55.178 56.100 -0.108 0.000 0.957 196 R CB 0.342 30.585 30.300 -0.095 0.000 1.003 196 R HN 0.286 nan 8.270 nan 0.000 0.454 197 L N 4.620 125.744 121.223 -0.165 0.000 2.477 197 L HA 0.047 4.387 4.340 -0.000 0.000 0.272 197 L C 0.807 177.591 176.870 -0.144 0.000 1.157 197 L CA 0.883 55.628 54.840 -0.159 0.000 0.889 197 L CB 1.307 43.240 42.059 -0.211 0.000 1.158 197 L HN 0.870 nan 8.230 nan 0.000 0.473 198 S N 2.378 118.020 115.700 -0.097 0.000 2.506 198 S HA 0.664 5.133 4.470 -0.000 0.000 0.219 198 S C 0.634 175.186 174.600 -0.079 0.000 1.031 198 S CA 0.163 58.313 58.200 -0.083 0.000 0.911 198 S CB 0.248 63.408 63.200 -0.068 0.000 0.812 198 S HN 1.019 nan 8.310 nan 0.000 0.497 199 G N 0.340 109.099 108.800 -0.068 0.000 2.321 199 G HA2 0.473 4.433 3.960 -0.000 0.000 0.296 199 G HA3 0.473 4.433 3.960 -0.000 0.000 0.296 199 G C -2.453 172.420 174.900 -0.046 0.000 1.287 199 G CA -0.479 44.581 45.100 -0.067 0.000 0.846 199 G HN 0.703 nan 8.290 nan 0.000 0.508 200 L N -0.272 120.927 121.223 -0.040 0.000 2.513 200 L HA 0.790 5.130 4.340 -0.000 0.000 0.261 200 L C -1.347 175.516 176.870 -0.012 0.000 0.945 200 L CA -0.983 53.844 54.840 -0.020 0.000 0.848 200 L CB 1.858 43.915 42.059 -0.003 0.000 1.334 200 L HN 0.570 nan 8.230 nan 0.000 0.407 201 I N 3.220 123.787 120.570 -0.005 0.000 2.441 201 I HA 0.507 4.676 4.170 -0.000 0.000 0.295 201 I C -0.240 175.885 176.117 0.013 0.000 0.994 201 I CA -0.362 60.940 61.300 0.004 0.000 1.144 201 I CB 2.166 40.166 38.000 -0.000 0.000 1.314 201 I HN 0.582 nan 8.210 nan 0.000 0.445 202 T N 4.907 119.475 114.554 0.023 0.000 2.942 202 T HA 0.287 4.637 4.350 -0.000 0.000 0.289 202 T C 0.806 175.528 174.700 0.037 0.000 1.044 202 T CA -0.405 61.715 62.100 0.033 0.000 1.023 202 T CB 2.313 71.207 68.868 0.043 0.000 1.123 202 T HN 0.447 nan 8.240 nan 0.000 0.512 203 I N 1.233 121.832 120.570 0.048 0.000 2.226 203 I HA -0.067 4.103 4.170 -0.000 0.000 0.245 203 I C 1.938 178.090 176.117 0.058 0.000 1.100 203 I CA 1.836 63.171 61.300 0.059 0.000 1.374 203 I CB -0.236 37.813 38.000 0.081 0.000 1.057 203 I HN 0.435 nan 8.210 nan 0.000 0.413 204 K N 0.953 121.389 120.400 0.059 0.000 2.032 204 K HA -0.179 4.140 4.320 -0.000 0.000 0.209 204 K C 1.791 178.432 176.600 0.068 0.000 1.048 204 K CA 1.775 58.101 56.287 0.065 0.000 0.927 204 K CB -0.814 31.727 32.500 0.068 0.000 0.712 204 K HN 0.334 nan 8.250 nan 0.000 0.441 205 D N 0.375 120.811 120.400 0.060 0.000 2.149 205 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 205 D C 1.837 178.169 176.300 0.054 0.000 1.001 205 D CA 1.190 55.224 54.000 0.058 0.000 0.849 205 D CB -0.250 40.577 40.800 0.043 0.000 0.939 205 D HN 0.212 nan 8.370 nan 0.000 0.449 206 I N 0.834 121.428 120.570 0.040 0.000 2.315 206 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 206 I C 2.128 178.268 176.117 0.039 0.000 1.117 206 I CA 1.028 62.346 61.300 0.028 0.000 1.404 206 I CB -0.271 37.733 38.000 0.008 0.000 1.071 206 I HN 0.009 nan 8.210 nan 0.000 0.419 207 E N 1.105 121.335 120.200 0.050 0.000 2.107 207 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 207 E C 2.036 178.666 176.600 0.050 0.000 0.982 207 E CA 0.818 57.244 56.400 0.044 0.000 0.809 207 E CB -0.030 29.698 29.700 0.047 0.000 0.756 207 E HN 0.455 nan 8.360 nan 0.000 0.459 208 K N 0.637 121.095 120.400 0.097 0.000 2.211 208 K HA -0.062 4.258 4.320 -0.000 0.000 0.203 208 K C 2.074 178.785 176.600 0.184 0.000 1.050 208 K CA 0.658 57.057 56.287 0.187 0.000 0.945 208 K CB 0.113 32.747 32.500 0.223 0.000 0.732 208 K HN -0.029 nan 8.250 nan 0.000 0.451 209 V N 1.612 121.588 119.914 0.103 0.000 2.515 209 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 209 V C 2.112 178.228 176.094 0.037 0.000 1.058 209 V CA 1.245 63.589 62.300 0.074 0.000 1.064 209 V CB -0.348 31.498 31.823 0.040 0.000 0.675 209 V HN 0.258 nan 8.190 nan 0.000 0.461 210 I N 0.144 120.721 120.570 0.012 0.000 2.193 210 I HA -0.177 3.993 4.170 -0.000 0.000 0.240 210 I C 2.551 178.620 176.117 -0.080 0.000 1.084 210 I CA 1.659 62.943 61.300 -0.027 0.000 1.365 210 I CB -1.110 36.876 38.000 -0.022 0.000 1.064 210 I HN 0.461 nan 8.210 nan 0.000 0.410 211 E N 0.603 120.717 120.200 -0.144 0.000 2.118 211 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 211 E C 0.020 176.258 176.600 -0.605 0.000 0.992 211 E CA 1.239 57.387 56.400 -0.420 0.000 0.804 211 E CB 0.059 29.412 29.700 -0.578 0.000 0.741 211 E HN 0.399 nan 8.360 nan 0.000 0.458 212 F N 0.303 120.269 119.950 0.026 0.000 2.531 212 F HA 0.296 4.823 4.527 -0.000 0.000 0.333 212 F C -1.802 173.998 175.800 0.001 0.000 1.292 212 F CA -1.917 56.109 58.000 0.042 0.000 1.184 212 F CB 1.622 40.650 39.000 0.046 0.000 1.426 212 F HN -0.028 nan 8.300 nan 0.000 0.559 213 P HA -0.181 nan 4.420 nan 0.000 0.219 213 P C 0.403 177.536 177.300 -0.279 0.000 1.146 213 P CA 1.669 64.666 63.100 -0.172 0.000 0.808 213 P CB 0.060 31.562 31.700 -0.329 0.000 0.779 214 H N -0.771 118.364 119.070 0.108 0.000 2.505 214 H HA 0.486 5.042 4.556 -0.000 0.000 0.286 214 H C 0.828 176.198 175.328 0.071 0.000 1.072 214 H CA -0.339 55.756 56.048 0.078 0.000 1.141 214 H CB -0.292 29.512 29.762 0.071 0.000 1.550 214 H HN 0.136 nan 8.280 nan 0.000 0.547 215 A N 1.381 124.293 122.820 0.153 0.000 2.531 215 A HA 0.427 4.747 4.320 -0.000 0.000 0.236 215 A C 0.638 178.255 177.584 0.055 0.000 1.062 215 A CA 0.143 52.232 52.037 0.087 0.000 0.760 215 A CB -0.174 18.861 19.000 0.058 0.000 0.995 215 A HN 0.495 nan 8.150 nan 0.000 0.501 216 A N 3.262 126.099 122.820 0.029 0.000 2.302 216 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 216 A C 0.310 177.898 177.584 0.007 0.000 1.235 216 A CA -0.295 51.754 52.037 0.019 0.000 0.876 216 A CB 0.062 19.068 19.000 0.011 0.000 1.133 216 A HN 0.806 nan 8.150 nan 0.000 0.533 217 K N 1.415 121.820 120.400 0.009 0.000 2.395 217 K HA 0.469 4.789 4.320 -0.000 0.000 0.245 217 K C -0.915 175.683 176.600 -0.003 0.000 1.017 217 K CA -0.881 55.411 56.287 0.009 0.000 0.852 217 K CB 1.559 34.069 32.500 0.017 0.000 1.311 217 K HN 0.791 nan 8.250 nan 0.000 0.452 218 D N -0.643 119.758 120.400 0.002 0.000 2.478 218 D HA -0.039 4.601 4.640 -0.000 0.000 0.274 218 D C 0.786 177.014 176.300 -0.120 0.000 1.234 218 D CA -0.373 53.602 54.000 -0.041 0.000 1.069 218 D CB 0.236 41.037 40.800 0.003 0.000 1.113 218 D HN 0.642 nan 8.370 nan 0.000 0.571 219 E N -0.871 119.152 120.200 -0.296 0.000 2.267 219 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 219 E C 0.875 177.195 176.600 -0.466 0.000 0.998 219 E CA 0.989 57.116 56.400 -0.454 0.000 0.830 219 E CB -0.582 28.706 29.700 -0.686 0.000 0.751 219 E HN 0.416 nan 8.360 nan 0.000 0.491 220 F N 0.376 120.325 119.950 -0.003 0.000 2.727 220 F HA 0.391 4.918 4.527 -0.000 0.000 0.302 220 F C 1.542 177.338 175.800 -0.006 0.000 1.097 220 F CA 0.115 58.111 58.000 -0.007 0.000 1.330 220 F CB 0.765 39.759 39.000 -0.011 0.000 1.084 220 F HN 0.147 nan 8.300 nan 0.000 0.578 221 G N 1.168 110.029 108.800 0.100 0.000 2.147 221 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 221 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 221 G C 0.270 175.217 174.900 0.078 0.000 1.005 221 G CA -0.429 44.713 45.100 0.071 0.000 0.713 221 G HN 0.373 nan 8.290 nan 0.000 0.515 222 R N -0.609 119.951 120.500 0.100 0.000 2.474 222 R HA 0.628 4.968 4.340 -0.000 0.000 0.295 222 R C 0.945 177.273 176.300 0.046 0.000 0.980 222 R CA -0.962 55.185 56.100 0.077 0.000 0.934 222 R CB 1.182 31.547 30.300 0.108 0.000 1.101 222 R HN 0.221 nan 8.270 nan 0.000 0.469 223 L N 3.276 124.508 121.223 0.016 0.000 2.506 223 L HA 0.007 4.347 4.340 -0.000 0.000 0.281 223 L C 0.453 177.324 176.870 0.002 0.000 1.228 223 L CA 0.240 55.075 54.840 -0.009 0.000 0.850 223 L CB -0.050 41.982 42.059 -0.045 0.000 1.110 223 L HN 0.357 nan 8.230 nan 0.000 0.496 224 L N 3.025 124.245 121.223 -0.005 0.000 2.453 224 L HA 0.539 4.879 4.340 -0.000 0.000 0.261 224 L C -0.030 176.831 176.870 -0.015 0.000 1.179 224 L CA -0.091 54.749 54.840 0.001 0.000 0.813 224 L CB 1.458 43.517 42.059 0.000 0.000 1.110 224 L HN 0.374 nan 8.230 nan 0.000 0.466 225 V N 0.906 120.815 119.914 -0.009 0.000 3.023 225 V HA 0.788 4.908 4.120 -0.000 0.000 0.294 225 V C -1.272 174.804 176.094 -0.030 0.000 1.324 225 V CA -0.287 61.995 62.300 -0.031 0.000 0.979 225 V CB 2.130 33.932 31.823 -0.036 0.000 1.093 225 V HN 0.902 nan 8.190 nan 0.000 0.434 226 A N 4.178 126.966 122.820 -0.054 0.000 2.386 226 A HA 1.096 5.416 4.320 -0.000 0.000 0.308 226 A C -0.393 177.132 177.584 -0.099 0.000 1.128 226 A CA -0.128 51.868 52.037 -0.067 0.000 0.789 226 A CB 1.994 20.964 19.000 -0.050 0.000 1.325 226 A HN 2.310 nan 8.150 nan 0.000 0.437 227 A N -0.275 122.466 122.820 -0.131 0.000 2.515 227 A HA 0.852 5.172 4.320 -0.000 0.000 0.298 227 A C -0.239 177.264 177.584 -0.136 0.000 1.059 227 A CA 0.041 51.998 52.037 -0.133 0.000 0.698 227 A CB 1.237 20.145 19.000 -0.153 0.000 1.289 227 A HN 2.351 nan 8.150 nan 0.000 0.404 228 A N 0.401 123.167 122.820 -0.090 0.000 2.306 228 A HA 0.867 5.187 4.320 -0.000 0.000 0.330 228 A C 0.012 177.546 177.584 -0.082 0.000 1.146 228 A CA 0.053 52.045 52.037 -0.076 0.000 0.827 228 A CB 0.821 19.804 19.000 -0.028 0.000 1.178 228 A HN 2.343 nan 8.150 nan 0.000 0.490 229 V N -1.395 118.465 119.914 -0.089 0.000 3.147 229 V HA 0.962 5.082 4.120 -0.000 0.000 0.306 229 V C 0.167 176.220 176.094 -0.068 0.000 1.209 229 V CA 0.017 62.266 62.300 -0.085 0.000 1.023 229 V CB 1.259 33.004 31.823 -0.130 0.000 1.059 229 V HN 1.488 nan 8.190 nan 0.000 0.435 230 G N 0.110 108.879 108.800 -0.053 0.000 2.828 230 G HA2 0.664 4.624 3.960 -0.000 0.000 0.244 230 G HA3 0.664 4.624 3.960 -0.000 0.000 0.244 230 G C -0.269 174.599 174.900 -0.053 0.000 1.365 230 G CA -0.160 44.914 45.100 -0.042 0.000 1.041 230 G HN 1.977 nan 8.290 nan 0.000 0.560 231 V N -0.644 119.247 119.914 -0.038 0.000 2.250 231 V HA 0.677 4.797 4.120 -0.000 0.000 0.268 231 V C 0.047 176.130 176.094 -0.019 0.000 1.043 231 V CA 0.174 62.450 62.300 -0.040 0.000 0.814 231 V CB -0.492 31.310 31.823 -0.035 0.000 1.072 231 V HN 1.059 nan 8.190 nan 0.000 0.451 232 T N 0.380 114.926 114.554 -0.014 0.000 2.626 232 T HA 0.475 4.824 4.350 -0.000 0.000 0.279 232 T C 1.135 175.852 174.700 0.029 0.000 0.983 232 T CA 0.185 62.290 62.100 0.008 0.000 1.059 232 T CB 1.285 70.158 68.868 0.009 0.000 1.396 232 T HN 0.804 nan 8.240 nan 0.000 0.519 233 S N -0.008 115.718 115.700 0.044 0.000 2.461 233 S HA -0.019 4.451 4.470 -0.000 0.000 0.228 233 S C 1.076 175.733 174.600 0.096 0.000 1.005 233 S CA 0.854 59.098 58.200 0.073 0.000 0.942 233 S CB -0.643 62.594 63.200 0.062 0.000 0.776 233 S HN 0.853 nan 8.310 nan 0.000 0.514 234 D N 0.513 120.956 120.400 0.072 0.000 2.342 234 D HA 0.091 4.731 4.640 -0.000 0.000 0.221 234 D C 0.903 177.251 176.300 0.080 0.000 1.101 234 D CA 0.116 54.166 54.000 0.083 0.000 0.837 234 D CB -0.409 40.424 40.800 0.056 0.000 0.938 234 D HN 0.237 nan 8.370 nan 0.000 0.508 235 T N 0.602 115.187 114.554 0.052 0.000 2.643 235 T HA -0.127 4.222 4.350 -0.000 0.000 0.264 235 T C 1.400 176.117 174.700 0.029 0.000 1.045 235 T CA 1.023 63.112 62.100 -0.018 0.000 1.155 235 T CB -0.414 68.385 68.868 -0.116 0.000 0.863 235 T HN 0.059 nan 8.240 nan 0.000 0.420 236 F N 1.446 121.476 119.950 0.134 0.000 2.065 236 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 236 F C 2.604 178.519 175.800 0.192 0.000 1.112 236 F CA 1.488 59.624 58.000 0.228 0.000 1.212 236 F CB -0.631 38.531 39.000 0.270 0.000 0.975 236 F HN 0.238 nan 8.300 nan 0.000 0.476 237 E N -0.057 120.353 120.200 0.351 0.000 2.097 237 E HA -0.296 4.053 4.350 -0.000 0.000 0.196 237 E C 2.532 179.225 176.600 0.156 0.000 1.000 237 E CA 1.528 58.061 56.400 0.221 0.000 0.804 237 E CB -0.140 29.652 29.700 0.154 0.000 0.740 237 E HN 0.294 nan 8.360 nan 0.000 0.454 238 R N -0.280 120.282 120.500 0.104 0.000 2.062 238 R HA -0.113 4.226 4.340 -0.000 0.000 0.231 238 R C 2.343 178.628 176.300 -0.025 0.000 1.136 238 R CA 1.250 57.366 56.100 0.027 0.000 0.948 238 R CB -0.294 30.000 30.300 -0.009 0.000 0.845 238 R HN 0.199 nan 8.270 nan 0.000 0.430 239 A N 1.790 124.581 122.820 -0.048 0.000 1.908 239 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 239 A C 1.914 179.456 177.584 -0.070 0.000 1.181 239 A CA 1.928 53.829 52.037 -0.227 0.000 0.627 239 A CB -0.596 18.235 19.000 -0.281 0.000 0.818 239 A HN 0.701 nan 8.150 nan 0.000 0.445 240 E N -0.256 120.107 120.200 0.271 0.000 2.208 240 E HA 0.060 4.410 4.350 -0.000 0.000 0.193 240 E C 1.905 178.643 176.600 0.230 0.000 0.988 240 E CA 0.873 57.520 56.400 0.412 0.000 0.828 240 E CB -0.344 29.611 29.700 0.425 0.000 0.763 240 E HN 0.495 nan 8.360 nan 0.000 0.478 241 A N 1.224 124.119 122.820 0.126 0.000 1.897 241 A HA -0.045 4.275 4.320 -0.000 0.000 0.215 241 A C 2.125 179.733 177.584 0.041 0.000 1.181 241 A CA 0.774 52.860 52.037 0.081 0.000 0.620 241 A CB -0.291 18.743 19.000 0.056 0.000 0.821 241 A HN 0.162 nan 8.150 nan 0.000 0.443 242 L N -1.488 119.707 121.223 -0.046 0.000 2.027 242 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 242 L C 2.285 179.109 176.870 -0.076 0.000 1.074 242 L CA 1.598 56.361 54.840 -0.129 0.000 0.745 242 L CB -1.472 40.407 42.059 -0.301 0.000 0.898 242 L HN 0.375 nan 8.230 nan 0.000 0.433 243 F N 0.236 120.184 119.950 -0.002 0.000 2.134 243 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 243 F C 2.625 178.455 175.800 0.049 0.000 1.097 243 F CA 1.458 59.469 58.000 0.018 0.000 1.264 243 F CB -0.685 38.343 39.000 0.045 0.000 1.001 243 F HN 0.274 nan 8.300 nan 0.000 0.479 244 E N -0.079 120.271 120.200 0.251 0.000 2.268 244 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 244 E C 2.037 178.701 176.600 0.106 0.000 0.995 244 E CA 0.760 57.257 56.400 0.160 0.000 0.836 244 E CB -0.076 29.705 29.700 0.136 0.000 0.763 244 E HN 0.322 nan 8.360 nan 0.000 0.491 245 A N -0.337 122.538 122.820 0.091 0.000 2.178 245 A HA 0.262 4.581 4.320 -0.000 0.000 0.211 245 A C 1.695 179.316 177.584 0.062 0.000 1.157 245 A CA 0.934 53.007 52.037 0.062 0.000 0.780 245 A CB 0.133 19.158 19.000 0.042 0.000 0.828 245 A HN 0.433 nan 8.150 nan 0.000 0.476 246 G N -2.269 106.587 108.800 0.094 0.000 2.227 246 G HA2 0.222 4.182 3.960 -0.000 0.000 0.168 246 G HA3 0.222 4.182 3.960 -0.000 0.000 0.168 246 G C 0.433 175.405 174.900 0.120 0.000 1.006 246 G CA -0.034 45.128 45.100 0.103 0.000 0.684 246 G HN 1.451 nan 8.290 nan 0.000 0.489 247 A N 0.719 123.599 122.820 0.100 0.000 2.584 247 A HA 0.400 4.720 4.320 -0.000 0.000 0.239 247 A C 1.109 178.811 177.584 0.196 0.000 1.043 247 A CA 1.230 53.307 52.037 0.067 0.000 0.756 247 A CB 0.162 19.093 19.000 -0.116 0.000 0.963 247 A HN 0.305 nan 8.150 nan 0.000 0.511 248 D N 0.784 121.261 120.400 0.127 0.000 2.348 248 D HA 0.338 4.978 4.640 -0.000 0.000 0.211 248 D C 0.516 176.921 176.300 0.175 0.000 0.998 248 D CA 1.503 55.587 54.000 0.140 0.000 0.873 248 D CB 0.301 41.145 40.800 0.074 0.000 0.925 248 D HN 0.780 nan 8.370 nan 0.000 0.524 249 A N 0.735 123.652 122.820 0.161 0.000 2.599 249 A HA 0.537 4.857 4.320 -0.000 0.000 0.294 249 A C -1.290 176.272 177.584 -0.038 0.000 1.055 249 A CA -0.851 51.275 52.037 0.148 0.000 0.683 249 A CB 0.829 19.874 19.000 0.075 0.000 1.278 249 A HN 0.101 nan 8.150 nan 0.000 0.412 250 I N -1.165 119.350 120.570 -0.091 0.000 2.603 250 I HA 0.876 5.046 4.170 -0.000 0.000 0.300 250 I C -1.038 175.004 176.117 -0.126 0.000 1.017 250 I CA -1.249 59.897 61.300 -0.256 0.000 1.098 250 I CB 2.122 39.817 38.000 -0.508 0.000 1.279 250 I HN 0.242 nan 8.210 nan 0.000 0.437 251 V N 5.995 125.835 119.914 -0.124 0.000 2.350 251 V HA 0.374 4.494 4.120 -0.000 0.000 0.285 251 V C 0.175 176.221 176.094 -0.080 0.000 1.014 251 V CA -0.361 61.894 62.300 -0.075 0.000 0.831 251 V CB 1.356 33.148 31.823 -0.050 0.000 1.000 251 V HN 0.545 nan 8.190 nan 0.000 0.433 252 I N 3.915 124.442 120.570 -0.072 0.000 2.311 252 I HA 0.182 4.352 4.170 -0.000 0.000 0.297 252 I C 0.061 176.150 176.117 -0.048 0.000 1.131 252 I CA 0.125 61.382 61.300 -0.071 0.000 1.289 252 I CB 0.257 38.214 38.000 -0.072 0.000 1.446 252 I HN 0.554 nan 8.210 nan 0.000 0.524 253 D N 5.130 125.507 120.400 -0.038 0.000 2.313 253 D HA 0.367 5.007 4.640 -0.000 0.000 0.239 253 D C -0.536 175.756 176.300 -0.013 0.000 1.142 253 D CA 0.249 54.238 54.000 -0.019 0.000 0.847 253 D CB 0.967 41.762 40.800 -0.009 0.000 1.082 253 D HN 0.371 nan 8.370 nan 0.000 0.480 254 T N 1.652 116.203 114.554 -0.004 0.000 2.903 254 T HA 0.555 4.905 4.350 -0.000 0.000 0.299 254 T C 0.957 175.675 174.700 0.030 0.000 1.093 254 T CA -0.553 61.553 62.100 0.008 0.000 1.002 254 T CB 1.833 70.703 68.868 0.002 0.000 1.127 254 T HN 0.226 nan 8.240 nan 0.000 0.488 255 A N 0.536 123.382 122.820 0.044 0.000 1.897 255 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 255 A C 0.868 178.519 177.584 0.112 0.000 1.181 255 A CA 1.100 53.170 52.037 0.054 0.000 0.620 255 A CB -0.450 18.575 19.000 0.040 0.000 0.821 255 A HN 0.885 nan 8.150 nan 0.000 0.443 256 H N -1.295 117.774 119.070 -0.001 0.000 2.866 256 H HA 0.399 4.955 4.556 -0.000 0.000 0.287 256 H C 1.024 176.363 175.328 0.018 0.000 1.106 256 H CA -0.161 55.894 56.048 0.010 0.000 1.396 256 H CB 0.795 30.562 29.762 0.009 0.000 1.469 256 H HN 0.228 nan 8.280 nan 0.000 0.500 257 G N 2.033 110.879 108.800 0.077 0.000 2.744 257 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.211 257 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.211 257 G C 0.881 175.716 174.900 -0.108 0.000 1.143 257 G CA 0.057 45.132 45.100 -0.042 0.000 0.788 257 G HN 0.621 nan 8.290 nan 0.000 0.534 258 H N 0.797 119.654 119.070 -0.356 0.000 2.568 258 H HA 0.397 4.953 4.556 -0.000 0.000 0.302 258 H C 0.044 175.040 175.328 -0.553 0.000 1.065 258 H CA -0.626 55.203 56.048 -0.366 0.000 1.140 258 H CB -0.325 29.339 29.762 -0.163 0.000 1.474 258 H HN 0.053 nan 8.280 nan 0.000 0.545 259 S N -0.253 115.213 115.700 -0.390 0.000 2.525 259 S HA 0.406 4.876 4.470 -0.000 0.000 0.278 259 S C 1.461 175.997 174.600 -0.106 0.000 1.234 259 S CA -0.036 57.995 58.200 -0.281 0.000 1.058 259 S CB 1.801 64.878 63.200 -0.205 0.000 0.983 259 S HN 0.503 nan 8.310 nan 0.000 0.495 260 A N 3.565 126.343 122.820 -0.070 0.000 1.892 260 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 260 A C 2.191 179.764 177.584 -0.018 0.000 1.188 260 A CA 2.116 54.137 52.037 -0.027 0.000 0.631 260 A CB -1.466 17.523 19.000 -0.018 0.000 0.822 260 A HN 0.913 nan 8.150 nan 0.000 0.447 261 G N -0.688 108.099 108.800 -0.022 0.000 2.440 261 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 261 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 261 G C 1.520 176.411 174.900 -0.015 0.000 1.154 261 G CA 1.332 46.426 45.100 -0.011 0.000 0.767 261 G HN 0.356 nan 8.290 nan 0.000 0.552 262 V N 1.147 121.042 119.914 -0.032 0.000 2.295 262 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 262 V C 2.919 178.995 176.094 -0.030 0.000 1.049 262 V CA 1.524 63.802 62.300 -0.037 0.000 1.024 262 V CB -0.499 31.292 31.823 -0.054 0.000 0.648 262 V HN 0.353 nan 8.190 nan 0.000 0.447 263 L N -0.345 120.863 121.223 -0.026 0.000 2.083 263 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 263 L C 2.702 179.577 176.870 0.009 0.000 1.083 263 L CA 1.832 56.665 54.840 -0.010 0.000 0.752 263 L CB -0.663 41.396 42.059 -0.001 0.000 0.899 263 L HN 0.293 nan 8.230 nan 0.000 0.433 264 R N 0.966 121.473 120.500 0.011 0.000 2.070 264 R HA -0.224 4.116 4.340 -0.000 0.000 0.233 264 R C 2.405 178.726 176.300 0.034 0.000 1.137 264 R CA 1.780 57.897 56.100 0.028 0.000 0.945 264 R CB -0.082 30.233 30.300 0.026 0.000 0.845 264 R HN 0.008 nan 8.270 nan 0.000 0.430 265 K N 0.917 121.325 120.400 0.014 0.000 2.097 265 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 265 K C 1.843 178.428 176.600 -0.024 0.000 1.049 265 K CA 1.638 57.921 56.287 -0.007 0.000 0.933 265 K CB -0.342 32.135 32.500 -0.037 0.000 0.717 265 K HN 0.326 nan 8.250 nan 0.000 0.442 266 I N 0.322 120.883 120.570 -0.014 0.000 2.226 266 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 266 I C 2.240 178.386 176.117 0.048 0.000 1.100 266 I CA 1.201 62.498 61.300 -0.004 0.000 1.374 266 I CB -0.443 37.552 38.000 -0.008 0.000 1.057 266 I HN 0.260 nan 8.210 nan 0.000 0.413 267 A N 0.569 123.426 122.820 0.061 0.000 1.933 267 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 267 A C 2.165 179.834 177.584 0.140 0.000 1.175 267 A CA 1.583 53.676 52.037 0.093 0.000 0.628 267 A CB -0.514 18.532 19.000 0.077 0.000 0.814 267 A HN 0.470 nan 8.150 nan 0.000 0.444 268 E N -0.298 119.993 120.200 0.152 0.000 2.106 268 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 268 E C 1.827 178.685 176.600 0.430 0.000 0.984 268 E CA 1.038 57.601 56.400 0.273 0.000 0.806 268 E CB -0.258 29.614 29.700 0.286 0.000 0.750 268 E HN 0.700 nan 8.360 nan 0.000 0.458 269 I N 0.952 121.636 120.570 0.190 0.000 2.252 269 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 269 I C 2.618 179.007 176.117 0.454 0.000 1.102 269 I CA 0.783 62.206 61.300 0.204 0.000 1.385 269 I CB -0.105 37.857 38.000 -0.063 0.000 1.064 269 I HN 0.003 nan 8.210 nan 0.000 0.414 270 R N 2.017 122.686 120.500 0.281 0.000 2.075 270 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 270 R C 2.182 178.642 176.300 0.267 0.000 1.126 270 R CA 1.875 58.130 56.100 0.258 0.000 0.963 270 R CB -0.879 29.520 30.300 0.164 0.000 0.858 270 R HN 0.285 nan 8.270 nan 0.000 0.435 271 A N -0.522 122.445 122.820 0.245 0.000 2.024 271 A HA -0.219 4.100 4.320 -0.000 0.000 0.220 271 A C 2.200 179.915 177.584 0.219 0.000 1.164 271 A CA 1.897 54.048 52.037 0.190 0.000 0.643 271 A CB -0.863 18.232 19.000 0.157 0.000 0.806 271 A HN 0.719 nan 8.150 nan 0.000 0.451 272 H N -3.179 116.008 119.070 0.195 0.000 2.465 272 H HA 0.163 4.719 4.556 -0.000 0.000 0.289 272 H C -0.355 174.843 175.328 -0.217 0.000 1.022 272 H CA 0.245 56.290 56.048 -0.005 0.000 1.340 272 H CB 0.198 30.027 29.762 0.111 0.000 1.437 272 H HN 0.442 nan 8.280 nan 0.000 0.539 273 F N 1.821 121.884 119.950 0.189 0.000 2.438 273 F HA 0.264 4.791 4.527 -0.000 0.000 0.315 273 F C -1.715 174.093 175.800 0.012 0.000 1.258 273 F CA -2.463 55.544 58.000 0.012 0.000 1.180 273 F CB 1.224 40.199 39.000 -0.042 0.000 1.412 273 F HN 0.109 nan 8.300 nan 0.000 0.544 274 P HA -0.171 nan 4.420 nan 0.000 0.221 274 P C 0.497 177.835 177.300 0.063 0.000 1.145 274 P CA 1.497 64.653 63.100 0.094 0.000 0.795 274 P CB 0.487 32.224 31.700 0.061 0.000 0.775 275 N N -1.101 117.622 118.700 0.038 0.000 2.482 275 N HA 0.031 4.771 4.740 -0.000 0.000 0.179 275 N C 0.955 176.459 175.510 -0.010 0.000 1.039 275 N CA 0.091 53.145 53.050 0.007 0.000 0.884 275 N CB -0.146 38.331 38.487 -0.016 0.000 1.113 275 N HN 0.060 nan 8.380 nan 0.000 0.440 276 R N 1.521 121.992 120.500 -0.048 0.000 2.817 276 R HA 0.067 4.407 4.340 -0.000 0.000 0.264 276 R C 0.049 176.355 176.300 0.011 0.000 1.009 276 R CA 0.510 56.536 56.100 -0.123 0.000 1.133 276 R CB -0.478 29.584 30.300 -0.397 0.000 1.013 276 R HN -0.015 nan 8.270 nan 0.000 0.453 277 T N 3.390 117.977 114.554 0.056 0.000 2.743 277 T HA 0.384 4.734 4.350 -0.000 0.000 0.293 277 T C 0.268 175.040 174.700 0.119 0.000 0.945 277 T CA -0.397 61.755 62.100 0.087 0.000 1.030 277 T CB 0.352 69.269 68.868 0.082 0.000 0.912 277 T HN 0.180 nan 8.240 nan 0.000 0.483 278 L N 4.941 126.221 121.223 0.095 0.000 2.322 278 L HA 0.614 4.954 4.340 -0.000 0.000 0.281 278 L C -0.308 176.595 176.870 0.055 0.000 1.014 278 L CA -0.871 54.015 54.840 0.076 0.000 0.815 278 L CB 1.459 43.562 42.059 0.073 0.000 1.247 278 L HN 0.488 nan 8.230 nan 0.000 0.421 279 I N 2.532 123.117 120.570 0.025 0.000 2.433 279 I HA 0.687 4.857 4.170 -0.000 0.000 0.292 279 I C -0.049 176.059 176.117 -0.015 0.000 1.001 279 I CA -0.423 60.885 61.300 0.014 0.000 1.119 279 I CB 2.045 40.050 38.000 0.009 0.000 1.289 279 I HN 0.648 nan 8.210 nan 0.000 0.438 280 A N 4.083 126.885 122.820 -0.030 0.000 2.413 280 A HA 0.838 5.158 4.320 -0.000 0.000 0.307 280 A C 0.365 177.915 177.584 -0.058 0.000 1.087 280 A CA -0.299 51.708 52.037 -0.051 0.000 0.750 280 A CB 1.092 20.052 19.000 -0.066 0.000 1.296 280 A HN 0.853 nan 8.150 nan 0.000 0.423 281 G N 0.649 109.419 108.800 -0.049 0.000 3.538 281 G HA2 0.002 3.962 3.960 -0.000 0.000 0.975 281 G HA3 0.002 3.962 3.960 -0.000 0.000 0.975 281 G C -0.134 174.747 174.900 -0.032 0.000 1.261 281 G CA 0.302 45.382 45.100 -0.033 0.000 1.423 281 G HN 0.848 nan 8.290 nan 0.000 0.845 282 N N -0.856 117.841 118.700 -0.004 0.000 2.430 282 N HA 0.600 5.340 4.740 -0.000 0.000 0.292 282 N C -0.065 175.457 175.510 0.020 0.000 1.051 282 N CA -0.434 52.617 53.050 0.003 0.000 0.917 282 N CB 1.630 40.129 38.487 0.019 0.000 1.164 282 N HN 0.671 nan 8.380 nan 0.000 0.484 283 I N -2.510 118.055 120.570 -0.008 0.000 3.174 283 I HA 0.871 5.041 4.170 -0.000 0.000 0.313 283 I C -0.170 175.946 176.117 -0.002 0.000 1.155 283 I CA -1.170 60.133 61.300 0.004 0.000 0.977 283 I CB 1.970 39.917 38.000 -0.089 0.000 1.248 283 I HN 0.395 nan 8.210 nan 0.000 0.453 284 A N 0.852 123.680 122.820 0.013 0.000 2.622 284 A HA 0.629 4.949 4.320 -0.000 0.000 0.283 284 A C 0.336 177.925 177.584 0.008 0.000 0.998 284 A CA 0.539 52.578 52.037 0.004 0.000 0.985 284 A CB -0.589 18.411 19.000 -0.000 0.000 1.236 284 A HN 1.000 nan 8.150 nan 0.000 0.559 285 T N -4.891 109.668 114.554 0.008 0.000 2.887 285 T HA 0.686 5.035 4.350 -0.000 0.000 0.292 285 T C 1.084 175.774 174.700 -0.018 0.000 1.087 285 T CA 0.156 62.267 62.100 0.018 0.000 1.009 285 T CB 1.558 70.464 68.868 0.064 0.000 1.203 285 T HN 0.681 nan 8.240 nan 0.000 0.518 286 A N 0.273 123.096 122.820 0.006 0.000 1.930 286 A HA 0.013 4.332 4.320 -0.000 0.000 0.217 286 A C 2.176 179.732 177.584 -0.047 0.000 1.175 286 A CA 1.069 53.101 52.037 -0.008 0.000 0.627 286 A CB -0.854 18.164 19.000 0.030 0.000 0.815 286 A HN 0.847 nan 8.150 nan 0.000 0.443 287 E N -0.294 119.894 120.200 -0.020 0.000 2.150 287 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 287 E C 2.162 178.578 176.600 -0.308 0.000 0.985 287 E CA 1.035 57.410 56.400 -0.041 0.000 0.814 287 E CB -0.548 29.228 29.700 0.127 0.000 0.752 287 E HN 0.562 nan 8.360 nan 0.000 0.466 288 G N 0.906 109.448 108.800 -0.429 0.000 2.408 288 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 288 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 288 G C 1.711 176.312 174.900 -0.499 0.000 1.150 288 G CA 1.077 45.714 45.100 -0.773 0.000 0.776 288 G HN 0.375 nan 8.290 nan 0.000 0.542 289 A N 0.631 123.228 122.820 -0.372 0.000 1.930 289 A HA 0.036 4.355 4.320 -0.000 0.000 0.217 289 A C 2.301 179.549 177.584 -0.561 0.000 1.175 289 A CA 1.781 53.517 52.037 -0.502 0.000 0.627 289 A CB -0.415 18.370 19.000 -0.357 0.000 0.815 289 A HN 0.365 nan 8.150 nan 0.000 0.443 290 R N -0.328 119.977 120.500 -0.325 0.000 2.075 290 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 290 R C 2.279 178.473 176.300 -0.177 0.000 1.126 290 R CA 1.440 57.397 56.100 -0.239 0.000 0.963 290 R CB -0.417 29.841 30.300 -0.069 0.000 0.858 290 R HN 0.411 nan 8.270 nan 0.000 0.435 291 A N 1.070 123.758 122.820 -0.220 0.000 1.902 291 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 291 A C 2.188 179.688 177.584 -0.140 0.000 1.181 291 A CA 1.313 53.260 52.037 -0.150 0.000 0.623 291 A CB -0.555 18.309 19.000 -0.226 0.000 0.818 291 A HN 0.356 nan 8.150 nan 0.000 0.443 292 L N -2.231 118.840 121.223 -0.254 0.000 2.056 292 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 292 L C 2.615 179.409 176.870 -0.127 0.000 1.078 292 L CA 1.443 56.150 54.840 -0.221 0.000 0.749 292 L CB -0.669 41.191 42.059 -0.331 0.000 0.901 292 L HN 0.516 nan 8.230 nan 0.000 0.433 293 Y N 0.194 120.390 120.300 -0.174 0.000 2.145 293 Y HA -0.290 4.260 4.550 -0.000 0.000 0.286 293 Y C 2.449 178.352 175.900 0.006 0.000 1.145 293 Y CA 0.683 58.693 58.100 -0.150 0.000 1.148 293 Y CB -0.166 37.998 38.460 -0.493 0.000 0.981 293 Y HN 0.229 nan 8.280 nan 0.000 0.507 294 D N -0.093 120.420 120.400 0.188 0.000 2.265 294 D HA -0.142 4.498 4.640 -0.000 0.000 0.208 294 D C 1.879 178.255 176.300 0.126 0.000 0.977 294 D CA 1.117 55.237 54.000 0.200 0.000 0.871 294 D CB -0.272 40.626 40.800 0.163 0.000 0.925 294 D HN 0.355 nan 8.370 nan 0.000 0.485 295 A N -0.634 122.236 122.820 0.083 0.000 2.208 295 A HA 0.429 4.749 4.320 -0.000 0.000 0.209 295 A C 1.761 179.396 177.584 0.085 0.000 1.161 295 A CA 1.058 53.134 52.037 0.065 0.000 0.782 295 A CB 0.043 19.058 19.000 0.025 0.000 0.816 295 A HN 0.249 nan 8.150 nan 0.000 0.477 296 G N -1.726 107.142 108.800 0.114 0.000 2.168 296 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.197 296 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.197 296 G C 0.283 175.258 174.900 0.124 0.000 0.997 296 G CA 0.081 45.253 45.100 0.121 0.000 0.658 296 G HN 1.125 nan 8.290 nan 0.000 0.513 297 V N 0.562 120.552 119.914 0.126 0.000 2.881 297 V HA 0.459 4.579 4.120 -0.000 0.000 0.303 297 V C 1.120 177.335 176.094 0.202 0.000 1.070 297 V CA 0.724 63.096 62.300 0.120 0.000 1.074 297 V CB 1.166 33.015 31.823 0.043 0.000 1.012 297 V HN 0.256 nan 8.190 nan 0.000 0.482 298 D N 2.964 123.458 120.400 0.156 0.000 2.259 298 D HA 0.120 4.760 4.640 -0.000 0.000 0.216 298 D C -0.016 176.406 176.300 0.204 0.000 0.961 298 D CA 1.057 55.148 54.000 0.152 0.000 0.878 298 D CB 0.634 41.493 40.800 0.098 0.000 1.009 298 D HN 0.389 nan 8.370 nan 0.000 0.490 299 V N 1.719 121.734 119.914 0.167 0.000 2.531 299 V HA 0.314 4.434 4.120 -0.000 0.000 0.301 299 V C -0.098 176.040 176.094 0.073 0.000 1.034 299 V CA -0.832 61.562 62.300 0.157 0.000 0.865 299 V CB 2.709 34.588 31.823 0.094 0.000 0.995 299 V HN -0.247 nan 8.190 nan 0.000 0.424 300 V N 5.375 125.305 119.914 0.027 0.000 2.435 300 V HA 0.438 4.558 4.120 -0.000 0.000 0.290 300 V C 0.166 176.225 176.094 -0.059 0.000 1.030 300 V CA -0.804 61.413 62.300 -0.138 0.000 0.881 300 V CB 1.827 33.387 31.823 -0.439 0.000 0.983 300 V HN 0.959 nan 8.190 nan 0.000 0.445 301 K N 4.357 124.727 120.400 -0.051 0.000 2.183 301 K HA 0.725 5.045 4.320 -0.000 0.000 0.274 301 K C -1.161 175.428 176.600 -0.018 0.000 1.009 301 K CA -0.621 55.659 56.287 -0.010 0.000 0.888 301 K CB 1.798 34.302 32.500 0.007 0.000 1.078 301 K HN 0.309 nan 8.250 nan 0.000 0.459 302 V N 1.586 121.505 119.914 0.008 0.000 2.427 302 V HA 0.679 4.799 4.120 -0.000 0.000 0.286 302 V C 0.311 176.423 176.094 0.031 0.000 1.034 302 V CA -0.170 62.136 62.300 0.010 0.000 0.893 302 V CB 1.118 32.953 31.823 0.021 0.000 0.982 302 V HN 1.068 nan 8.190 nan 0.000 0.452 303 G N 5.173 113.985 108.800 0.020 0.000 2.141 303 G HA2 0.193 4.153 3.960 -0.000 0.000 0.177 303 G HA3 0.193 4.153 3.960 -0.000 0.000 0.177 303 G C -1.373 173.538 174.900 0.017 0.000 1.510 303 G CA -0.769 44.347 45.100 0.027 0.000 1.082 303 G HN 0.380 nan 8.290 nan 0.000 0.622 304 I N 2.666 123.238 120.570 0.003 0.000 2.464 304 I HA 0.546 4.716 4.170 -0.000 0.000 0.277 304 I C 1.249 177.355 176.117 -0.017 0.000 1.040 304 I CA 0.686 61.981 61.300 -0.007 0.000 1.153 304 I CB 0.492 38.482 38.000 -0.018 0.000 1.274 304 I HN 1.582 nan 8.210 nan 0.000 0.469 305 G N 8.075 116.868 108.800 -0.011 0.000 2.234 305 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.235 305 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.235 305 G C -0.971 173.927 174.900 -0.003 0.000 0.997 305 G CA 0.072 45.163 45.100 -0.015 0.000 0.623 305 G HN 0.455 nan 8.290 nan 0.000 0.514 306 P HA 0.129 nan 4.420 nan 0.000 0.230 306 P C 1.380 178.712 177.300 0.053 0.000 1.158 306 P CA 1.280 64.401 63.100 0.036 0.000 0.769 306 P CB -0.380 31.354 31.700 0.057 0.000 0.807 307 G N 1.217 110.040 108.800 0.038 0.000 2.321 307 G HA2 0.081 4.041 3.960 -0.000 0.000 0.237 307 G HA3 0.081 4.041 3.960 -0.000 0.000 0.237 307 G C 1.304 176.214 174.900 0.017 0.000 1.282 307 G CA 0.348 45.470 45.100 0.036 0.000 0.886 307 G HN 0.241 nan 8.290 nan 0.000 0.528 308 S N 1.979 117.700 115.700 0.034 0.000 2.387 308 S HA -0.255 4.215 4.470 -0.000 0.000 0.230 308 S C 1.866 176.441 174.600 -0.042 0.000 1.035 308 S CA 1.700 59.912 58.200 0.020 0.000 1.014 308 S CB -0.318 62.931 63.200 0.082 0.000 0.836 308 S HN 0.935 nan 8.310 nan 0.000 0.466 309 I N -0.370 120.129 120.570 -0.119 0.000 3.875 309 I HA 0.433 4.603 4.170 -0.000 0.000 0.329 309 I C 0.608 176.650 176.117 -0.125 0.000 1.295 309 I CA -1.708 59.479 61.300 -0.187 0.000 1.129 309 I CB -1.009 36.738 38.000 -0.421 0.000 1.008 309 I HN 0.343 nan 8.210 nan 0.000 0.413 310 C N 2.139 121.394 119.300 -0.075 0.000 2.435 310 C HA 0.615 5.075 4.460 -0.000 0.000 0.375 310 C C 1.694 176.658 174.990 -0.043 0.000 1.281 310 C CA 0.496 59.482 59.018 -0.052 0.000 1.963 310 C CB -0.197 27.526 27.740 -0.029 0.000 2.490 310 C HN 0.689 nan 8.230 nan 0.000 0.557 311 T N 1.023 115.551 114.554 -0.042 0.000 3.132 311 T HA 0.083 4.433 4.350 -0.000 0.000 0.274 311 T C 1.177 175.856 174.700 -0.034 0.000 1.011 311 T CA 0.360 62.438 62.100 -0.037 0.000 0.899 311 T CB -0.195 68.650 68.868 -0.039 0.000 1.089 311 T HN 0.689 nan 8.240 nan 0.000 0.543 312 T N 2.652 117.185 114.554 -0.034 0.000 2.699 312 T HA -0.110 4.239 4.350 -0.000 0.000 0.268 312 T C 2.035 176.712 174.700 -0.039 0.000 1.036 312 T CA 1.376 63.453 62.100 -0.037 0.000 1.147 312 T CB -0.192 68.653 68.868 -0.038 0.000 0.862 312 T HN 0.467 nan 8.240 nan 0.000 0.446 313 R N 0.234 120.712 120.500 -0.035 0.000 2.148 313 R HA 0.013 4.353 4.340 -0.000 0.000 0.227 313 R C 2.363 178.644 176.300 -0.031 0.000 1.103 313 R CA 0.766 56.845 56.100 -0.035 0.000 0.983 313 R CB -0.326 29.955 30.300 -0.031 0.000 0.874 313 R HN 0.290 nan 8.270 nan 0.000 0.451 314 V N 0.360 120.257 119.914 -0.029 0.000 2.379 314 V HA -0.132 3.988 4.120 -0.000 0.000 0.243 314 V C 2.272 178.351 176.094 -0.025 0.000 1.035 314 V CA 1.464 63.749 62.300 -0.025 0.000 1.035 314 V CB 0.039 31.847 31.823 -0.024 0.000 0.673 314 V HN 0.220 nan 8.190 nan 0.000 0.457 315 V N -1.662 118.235 119.914 -0.028 0.000 2.878 315 V HA 0.262 4.381 4.120 -0.000 0.000 0.250 315 V C 2.037 178.113 176.094 -0.029 0.000 1.075 315 V CA 1.552 63.836 62.300 -0.027 0.000 1.096 315 V CB -0.297 31.510 31.823 -0.027 0.000 0.724 315 V HN 0.344 nan 8.190 nan 0.000 0.467 316 A N -0.202 122.597 122.820 -0.035 0.000 2.167 316 A HA 0.550 4.870 4.320 -0.000 0.000 0.208 316 A C 2.033 179.592 177.584 -0.043 0.000 1.198 316 A CA 0.862 52.875 52.037 -0.041 0.000 0.863 316 A CB -0.074 18.894 19.000 -0.052 0.000 0.904 316 A HN 1.643 nan 8.150 nan 0.000 0.484 317 G N -0.808 107.969 108.800 -0.039 0.000 2.160 317 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.251 317 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.251 317 G C 0.069 174.940 174.900 -0.047 0.000 1.008 317 G CA 0.408 45.485 45.100 -0.037 0.000 0.724 317 G HN 0.905 nan 8.290 nan 0.000 0.514 318 V N -0.389 119.491 119.914 -0.058 0.000 2.667 318 V HA 0.995 5.115 4.120 -0.000 0.000 0.308 318 V C 0.768 176.823 176.094 -0.065 0.000 1.048 318 V CA 0.507 62.764 62.300 -0.072 0.000 0.928 318 V CB 1.630 33.391 31.823 -0.103 0.000 1.004 318 V HN 1.751 nan 8.190 nan 0.000 0.444 319 G N 1.862 110.624 108.800 -0.064 0.000 2.356 319 G HA2 0.419 4.379 3.960 -0.000 0.000 0.300 319 G HA3 0.419 4.379 3.960 -0.000 0.000 0.300 319 G C -1.976 172.892 174.900 -0.053 0.000 1.331 319 G CA 0.121 45.189 45.100 -0.054 0.000 0.905 319 G HN 1.242 nan 8.290 nan 0.000 0.587 320 V N 0.396 120.278 119.914 -0.054 0.000 2.817 320 V HA 0.715 4.835 4.120 -0.000 0.000 0.303 320 V C -2.510 173.535 176.094 -0.083 0.000 1.151 320 V CA -1.556 60.704 62.300 -0.067 0.000 0.929 320 V CB 2.424 34.213 31.823 -0.057 0.000 1.030 320 V HN 0.705 nan 8.190 nan 0.000 0.427 321 P HA 0.029 nan 4.420 nan 0.000 0.260 321 P C 0.373 177.569 177.300 -0.174 0.000 1.172 321 P CA 0.615 63.633 63.100 -0.137 0.000 0.760 321 P CB 0.591 32.203 31.700 -0.147 0.000 0.773 322 Q N 3.706 123.368 119.800 -0.229 0.000 2.133 322 Q HA -0.182 4.158 4.340 -0.000 0.000 0.208 322 Q C 1.616 177.414 176.000 -0.336 0.000 0.991 322 Q CA 2.003 57.638 55.803 -0.280 0.000 0.867 322 Q CB -0.984 27.543 28.738 -0.351 0.000 0.911 322 Q HN 0.276 nan 8.270 nan 0.000 0.417 323 V N -0.336 119.282 119.914 -0.494 0.000 2.407 323 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 323 V C 2.166 178.176 176.094 -0.141 0.000 1.055 323 V CA 2.158 64.254 62.300 -0.341 0.000 1.049 323 V CB -0.856 30.713 31.823 -0.423 0.000 0.662 323 V HN 0.451 nan 8.190 nan 0.000 0.455 324 T N 0.101 114.569 114.554 -0.143 0.000 2.777 324 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 324 T C 2.071 176.766 174.700 -0.009 0.000 1.040 324 T CA 1.489 63.521 62.100 -0.112 0.000 1.141 324 T CB -0.338 68.429 68.868 -0.169 0.000 0.868 324 T HN 0.567 nan 8.240 nan 0.000 0.444 325 A N 1.278 124.078 122.820 -0.033 0.000 1.877 325 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 325 A C 2.256 179.869 177.584 0.049 0.000 1.186 325 A CA 1.324 53.364 52.037 0.003 0.000 0.620 325 A CB -0.836 18.151 19.000 -0.023 0.000 0.822 325 A HN 0.517 nan 8.150 nan 0.000 0.443 326 I N -1.925 118.677 120.570 0.055 0.000 2.127 326 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 326 I C 2.519 178.716 176.117 0.133 0.000 1.075 326 I CA 2.123 63.478 61.300 0.091 0.000 1.334 326 I CB -0.535 37.537 38.000 0.119 0.000 1.040 326 I HN 0.565 nan 8.210 nan 0.000 0.405 327 Y N 2.151 122.460 120.300 0.015 0.000 2.128 327 Y HA -0.322 4.228 4.550 -0.000 0.000 0.284 327 Y C 2.183 178.092 175.900 0.016 0.000 1.154 327 Y CA 1.917 60.033 58.100 0.028 0.000 1.149 327 Y CB -0.504 37.986 38.460 0.050 0.000 0.976 327 Y HN 0.211 nan 8.280 nan 0.000 0.505 328 D N 0.152 120.783 120.400 0.385 0.000 2.144 328 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 328 D C 2.239 178.579 176.300 0.067 0.000 0.984 328 D CA 1.561 55.695 54.000 0.223 0.000 0.834 328 D CB -0.575 40.319 40.800 0.157 0.000 0.955 328 D HN 0.504 nan 8.370 nan 0.000 0.465 329 A N 0.739 123.586 122.820 0.045 0.000 1.930 329 A HA 0.133 4.453 4.320 -0.000 0.000 0.215 329 A C 2.241 179.829 177.584 0.006 0.000 1.176 329 A CA 1.546 53.584 52.037 0.002 0.000 0.632 329 A CB -0.517 18.472 19.000 -0.018 0.000 0.819 329 A HN 0.205 nan 8.150 nan 0.000 0.445 330 A N -0.155 122.654 122.820 -0.018 0.000 2.121 330 A HA 0.243 4.563 4.320 -0.000 0.000 0.218 330 A C 2.317 179.847 177.584 -0.089 0.000 1.154 330 A CA 1.632 53.632 52.037 -0.061 0.000 0.679 330 A CB -0.697 18.222 19.000 -0.135 0.000 0.795 330 A HN 0.918 nan 8.150 nan 0.000 0.458 331 A N -0.533 122.222 122.820 -0.108 0.000 1.930 331 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 331 A C 2.140 179.723 177.584 -0.002 0.000 1.175 331 A CA 1.752 53.728 52.037 -0.101 0.000 0.627 331 A CB -0.630 18.306 19.000 -0.106 0.000 0.815 331 A HN 0.370 nan 8.150 nan 0.000 0.443 332 V N -0.386 119.552 119.914 0.040 0.000 2.488 332 V HA -0.115 4.005 4.120 -0.000 0.000 0.246 332 V C 2.993 179.166 176.094 0.131 0.000 1.046 332 V CA 1.462 63.827 62.300 0.109 0.000 1.053 332 V CB -1.111 30.752 31.823 0.068 0.000 0.679 332 V HN 0.577 nan 8.190 nan 0.000 0.458 333 A N 1.725 124.629 122.820 0.139 0.000 1.940 333 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 333 A C 2.345 179.923 177.584 -0.011 0.000 1.176 333 A CA 2.241 54.322 52.037 0.073 0.000 0.631 333 A CB -0.464 18.612 19.000 0.127 0.000 0.814 333 A HN 0.717 nan 8.150 nan 0.000 0.446 334 R N -0.382 120.125 120.500 0.011 0.000 2.153 334 R HA 0.027 4.367 4.340 -0.000 0.000 0.218 334 R C 2.000 178.317 176.300 0.028 0.000 1.072 334 R CA 1.170 57.273 56.100 0.005 0.000 0.990 334 R CB -0.509 29.782 30.300 -0.015 0.000 0.889 334 R HN 0.668 nan 8.270 nan 0.000 0.452 335 E N 1.161 121.410 120.200 0.082 0.000 2.077 335 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 335 E C 0.978 177.617 176.600 0.065 0.000 0.989 335 E CA 1.167 57.625 56.400 0.097 0.000 0.800 335 E CB -0.107 29.710 29.700 0.194 0.000 0.746 335 E HN 0.599 nan 8.360 nan 0.000 0.452 336 Y N -0.593 119.620 120.300 -0.144 0.000 2.511 336 Y HA 0.184 4.734 4.550 -0.000 0.000 0.279 336 Y C 1.372 177.144 175.900 -0.213 0.000 1.157 336 Y CA 0.001 57.971 58.100 -0.217 0.000 1.300 336 Y CB 0.812 39.015 38.460 -0.429 0.000 1.052 336 Y HN 0.262 nan 8.280 nan 0.000 0.529 337 G N 1.414 110.200 108.800 -0.024 0.000 2.249 337 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.273 337 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.273 337 G C 0.020 174.879 174.900 -0.069 0.000 1.036 337 G CA 0.324 45.400 45.100 -0.040 0.000 0.824 337 G HN 0.364 nan 8.290 nan 0.000 0.504 338 K N -0.884 119.428 120.400 -0.147 0.000 2.312 338 K HA 0.785 5.105 4.320 -0.000 0.000 0.236 338 K C 0.635 177.213 176.600 -0.037 0.000 1.079 338 K CA -0.215 55.969 56.287 -0.171 0.000 0.900 338 K CB 1.231 33.432 32.500 -0.497 0.000 1.297 338 K HN 0.284 nan 8.250 nan 0.000 0.498 339 T N -1.904 112.690 114.554 0.067 0.000 2.949 339 T HA 0.708 5.058 4.350 -0.000 0.000 0.287 339 T C -0.127 174.686 174.700 0.189 0.000 1.034 339 T CA -0.812 61.363 62.100 0.126 0.000 1.018 339 T CB 0.851 69.781 68.868 0.102 0.000 1.135 339 T HN 0.382 nan 8.240 nan 0.000 0.532 340 I N 0.352 121.004 120.570 0.136 0.000 2.769 340 I HA 0.485 4.655 4.170 -0.000 0.000 0.298 340 I C -1.030 175.144 176.117 0.096 0.000 1.128 340 I CA -1.318 60.047 61.300 0.107 0.000 1.031 340 I CB 2.425 40.477 38.000 0.087 0.000 1.235 340 I HN 0.591 nan 8.210 nan 0.000 0.423 341 I N 4.287 124.903 120.570 0.076 0.000 2.389 341 I HA 0.438 4.608 4.170 -0.000 0.000 0.288 341 I C 0.170 176.339 176.117 0.086 0.000 0.999 341 I CA -0.627 60.721 61.300 0.080 0.000 1.129 341 I CB 1.925 39.962 38.000 0.063 0.000 1.288 341 I HN 0.567 nan 8.210 nan 0.000 0.444 342 A N 4.537 127.425 122.820 0.115 0.000 2.350 342 A HA 0.260 4.580 4.320 -0.000 0.000 0.293 342 A C -0.461 177.203 177.584 0.133 0.000 1.231 342 A CA -0.153 51.969 52.037 0.143 0.000 0.883 342 A CB -0.067 19.055 19.000 0.203 0.000 1.133 342 A HN 0.658 nan 8.150 nan 0.000 0.533 343 D N 2.449 122.918 120.400 0.115 0.000 2.427 343 D HA 0.514 5.154 4.640 -0.000 0.000 0.226 343 D C 0.465 176.835 176.300 0.116 0.000 1.076 343 D CA 1.261 55.322 54.000 0.102 0.000 0.849 343 D CB 0.561 41.403 40.800 0.071 0.000 1.052 343 D HN 1.224 nan 8.370 nan 0.000 0.515 344 G N 1.863 110.741 108.800 0.130 0.000 2.662 344 G HA2 0.390 4.350 3.960 -0.000 0.000 0.686 344 G HA3 0.390 4.350 3.960 -0.000 0.000 0.686 344 G C 0.733 175.755 174.900 0.203 0.000 1.271 344 G CA -0.018 45.163 45.100 0.135 0.000 0.816 344 G HN 1.378 nan 8.290 nan 0.000 0.608 345 G N -1.256 107.645 108.800 0.168 0.000 2.184 345 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.264 345 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.264 345 G C 0.565 175.587 174.900 0.203 0.000 0.975 345 G CA 0.822 46.061 45.100 0.231 0.000 0.642 345 G HN 1.571 nan 8.290 nan 0.000 0.536 346 I N 1.177 121.763 120.570 0.026 0.000 2.352 346 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 346 I C 1.418 177.423 176.117 -0.186 0.000 1.036 346 I CA 0.099 61.270 61.300 -0.214 0.000 1.336 346 I CB 1.162 39.022 38.000 -0.234 0.000 1.407 346 I HN 0.321 nan 8.210 nan 0.000 0.497 347 K N 4.549 124.797 120.400 -0.254 0.000 2.464 347 K HA 0.187 4.507 4.320 -0.000 0.000 0.206 347 K C -0.524 175.760 176.600 -0.526 0.000 1.186 347 K CA -0.004 56.039 56.287 -0.406 0.000 0.990 347 K CB 0.585 32.778 32.500 -0.511 0.000 1.003 347 K HN 0.311 nan 8.250 nan 0.000 0.562 348 Y N 1.411 121.666 120.300 -0.075 0.000 2.536 348 Y HA 0.161 4.710 4.550 -0.000 0.000 0.347 348 Y C 1.516 177.369 175.900 -0.079 0.000 1.000 348 Y CA -1.044 57.034 58.100 -0.037 0.000 1.051 348 Y CB 2.217 40.704 38.460 0.044 0.000 1.259 348 Y HN 0.031 nan 8.280 nan 0.000 0.468 349 S N -0.395 115.385 115.700 0.132 0.000 2.400 349 S HA -0.169 4.301 4.470 -0.000 0.000 0.232 349 S C 1.983 176.600 174.600 0.029 0.000 1.025 349 S CA 1.393 59.615 58.200 0.037 0.000 0.993 349 S CB -0.925 62.295 63.200 0.032 0.000 0.808 349 S HN 0.989 nan 8.310 nan 0.000 0.478 350 G N 1.681 110.519 108.800 0.062 0.000 2.432 350 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 350 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 350 G C 1.097 176.007 174.900 0.017 0.000 1.135 350 G CA 0.953 46.075 45.100 0.037 0.000 0.767 350 G HN 0.508 nan 8.290 nan 0.000 0.550 351 D N 0.557 120.930 120.400 -0.045 0.000 2.178 351 D HA -0.052 4.588 4.640 -0.000 0.000 0.202 351 D C 2.517 178.613 176.300 -0.339 0.000 0.974 351 D CA 0.331 54.139 54.000 -0.321 0.000 0.841 351 D CB -0.100 40.361 40.800 -0.565 0.000 0.953 351 D HN 0.390 nan 8.370 nan 0.000 0.478 352 I N 0.316 120.788 120.570 -0.164 0.000 2.226 352 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 352 I C 2.273 178.403 176.117 0.022 0.000 1.100 352 I CA 0.645 61.901 61.300 -0.074 0.000 1.374 352 I CB -0.206 37.772 38.000 -0.036 0.000 1.057 352 I HN -0.095 nan 8.210 nan 0.000 0.413 353 V N 0.931 120.870 119.914 0.041 0.000 2.427 353 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 353 V C 2.368 178.566 176.094 0.174 0.000 1.051 353 V CA 1.719 64.070 62.300 0.085 0.000 1.048 353 V CB -0.771 31.092 31.823 0.067 0.000 0.666 353 V HN 0.398 nan 8.190 nan 0.000 0.456 354 K N 0.592 121.137 120.400 0.240 0.000 2.057 354 K HA -0.043 4.277 4.320 -0.000 0.000 0.206 354 K C 2.366 179.289 176.600 0.538 0.000 1.050 354 K CA 1.381 57.963 56.287 0.492 0.000 0.935 354 K CB -0.425 32.397 32.500 0.537 0.000 0.715 354 K HN 0.450 nan 8.250 nan 0.000 0.439 355 A N 1.467 124.553 122.820 0.442 0.000 1.933 355 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 355 A C 2.112 179.902 177.584 0.342 0.000 1.175 355 A CA 1.279 53.599 52.037 0.471 0.000 0.628 355 A CB -0.595 18.616 19.000 0.352 0.000 0.814 355 A HN 0.145 nan 8.150 nan 0.000 0.444 356 L N -1.059 120.328 121.223 0.273 0.000 2.072 356 L HA -0.103 4.236 4.340 -0.000 0.000 0.205 356 L C 3.019 180.100 176.870 0.353 0.000 1.079 356 L CA 0.923 55.924 54.840 0.268 0.000 0.752 356 L CB -0.515 41.632 42.059 0.146 0.000 0.906 356 L HN 0.407 nan 8.230 nan 0.000 0.436 357 A N 0.084 123.087 122.820 0.305 0.000 2.015 357 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 357 A C 2.338 180.159 177.584 0.395 0.000 1.163 357 A CA 1.431 53.629 52.037 0.267 0.000 0.646 357 A CB -0.481 18.548 19.000 0.048 0.000 0.806 357 A HN 0.378 nan 8.150 nan 0.000 0.448 358 A N -2.052 121.076 122.820 0.514 0.000 2.238 358 A HA 0.425 4.745 4.320 -0.000 0.000 0.208 358 A C 1.599 179.328 177.584 0.241 0.000 1.177 358 A CA 1.326 53.659 52.037 0.493 0.000 0.804 358 A CB -0.518 18.727 19.000 0.409 0.000 0.823 358 A HN 1.656 nan 8.150 nan 0.000 0.482 359 G N -2.402 106.470 108.800 0.120 0.000 2.318 359 G HA2 0.076 4.036 3.960 -0.000 0.000 0.172 359 G HA3 0.076 4.036 3.960 -0.000 0.000 0.172 359 G C 0.605 175.419 174.900 -0.144 0.000 1.002 359 G CA -0.032 44.882 45.100 -0.311 0.000 0.697 359 G HN 1.189 nan 8.290 nan 0.000 0.483 360 G N -0.130 108.780 108.800 0.182 0.000 2.483 360 G HA2 0.438 4.397 3.960 -0.000 0.000 0.248 360 G HA3 0.438 4.397 3.960 -0.000 0.000 0.248 360 G C 0.604 175.689 174.900 0.309 0.000 1.248 360 G CA 0.098 45.323 45.100 0.208 0.000 0.838 360 G HN 0.132 nan 8.290 nan 0.000 0.566 361 N N 0.000 118.832 118.700 0.219 0.000 2.282 361 N HA 0.263 5.003 4.740 -0.000 0.000 0.185 361 N C 0.517 176.102 175.510 0.125 0.000 1.099 361 N CA 0.728 53.897 53.050 0.198 0.000 0.878 361 N CB 0.893 39.478 38.487 0.163 0.000 0.993 361 N HN 0.705 nan 8.380 nan 0.000 0.481 362 A N 0.015 122.907 122.820 0.121 0.000 2.586 362 A HA 0.539 4.859 4.320 -0.000 0.000 0.291 362 A C -0.823 176.822 177.584 0.101 0.000 1.062 362 A CA -0.633 51.460 52.037 0.094 0.000 0.666 362 A CB 0.693 19.738 19.000 0.075 0.000 1.281 362 A HN -0.092 nan 8.150 nan 0.000 0.421 366 G N 0.129 109.014 108.800 0.142 0.000 2.732 366 G HA2 0.082 4.042 3.960 -0.000 0.000 0.206 366 G HA3 0.082 4.042 3.960 -0.000 0.000 0.206 366 G C 0.594 175.430 174.900 -0.107 0.000 1.253 366 G CA 0.732 45.919 45.100 0.145 0.000 0.796 366 G HN 0.497 nan 8.290 nan 0.000 0.616 370 A N 0.557 123.260 122.820 -0.194 0.000 2.054 370 A HA -0.133 4.187 4.320 -0.000 0.000 0.223 370 A C 2.142 179.649 177.584 -0.128 0.000 1.169 370 A CA 2.309 54.148 52.037 -0.330 0.000 0.655 370 A CB -1.109 17.355 19.000 -0.892 0.000 0.812 370 A HN 0.472 nan 8.150 nan 0.000 0.462 371 G N -1.125 107.620 108.800 -0.091 0.000 3.575 371 G HA2 0.370 4.330 3.960 -0.000 0.000 0.273 371 G HA3 0.370 4.330 3.960 -0.000 0.000 0.273 371 G C 0.584 175.449 174.900 -0.058 0.000 1.053 371 G CA 0.670 45.754 45.100 -0.028 0.000 0.803 371 G HN 0.653 nan 8.290 nan 0.000 0.528 372 T N -2.351 112.174 114.554 -0.049 0.000 2.732 372 T HA 0.194 4.544 4.350 -0.000 0.000 0.287 372 T C 0.940 175.656 174.700 0.028 0.000 0.993 372 T CA -0.065 61.989 62.100 -0.077 0.000 0.966 372 T CB 1.264 70.139 68.868 0.011 0.000 1.047 372 T HN -0.119 nan 8.240 nan 0.000 0.527 373 D N 0.539 120.965 120.400 0.044 0.000 2.097 373 D HA -0.073 4.567 4.640 -0.000 0.000 0.195 373 D C 2.059 178.413 176.300 0.089 0.000 0.989 373 D CA 1.383 55.467 54.000 0.140 0.000 0.827 373 D CB -0.343 40.529 40.800 0.119 0.000 0.966 373 D HN 0.676 nan 8.370 nan 0.000 0.456 374 E N 0.983 121.210 120.200 0.046 0.000 2.150 374 E HA 0.053 4.403 4.350 -0.000 0.000 0.193 374 E C 0.696 177.312 176.600 0.026 0.000 0.985 374 E CA 0.511 56.923 56.400 0.020 0.000 0.814 374 E CB -0.401 29.284 29.700 -0.025 0.000 0.752 374 E HN 0.227 nan 8.360 nan 0.000 0.466 375 A N 1.865 124.706 122.820 0.036 0.000 2.548 375 A HA 0.118 4.438 4.320 -0.000 0.000 0.247 375 A C -1.577 176.052 177.584 0.075 0.000 1.067 375 A CA -0.838 51.228 52.037 0.049 0.000 0.757 375 A CB 0.061 19.085 19.000 0.041 0.000 0.996 375 A HN -0.023 nan 8.150 nan 0.000 0.504 376 P HA -0.007 nan 4.420 nan 0.000 0.231 376 P C 1.030 178.380 177.300 0.084 0.000 1.158 376 P CA 1.050 64.207 63.100 0.095 0.000 0.763 376 P CB -0.028 31.752 31.700 0.134 0.000 0.805 377 G N 0.610 109.466 108.800 0.094 0.000 2.670 377 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.233 377 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.233 377 G C -0.320 174.632 174.900 0.087 0.000 1.251 377 G CA -0.221 44.938 45.100 0.099 0.000 0.849 377 G HN 0.076 nan 8.290 nan 0.000 0.588 378 E N 0.173 120.422 120.200 0.082 0.000 2.227 378 E HA 0.373 4.723 4.350 -0.000 0.000 0.282 378 E C 0.425 177.077 176.600 0.087 0.000 1.015 378 E CA -0.166 56.275 56.400 0.069 0.000 0.823 378 E CB 1.064 30.795 29.700 0.052 0.000 1.081 378 E HN 0.317 nan 8.360 nan 0.000 0.396 379 T N 3.450 118.050 114.554 0.078 0.000 2.901 379 T HA 0.240 4.590 4.350 -0.000 0.000 0.301 379 T C -0.112 174.645 174.700 0.095 0.000 1.012 379 T CA -0.259 61.896 62.100 0.092 0.000 1.135 379 T CB 0.306 69.206 68.868 0.054 0.000 0.936 379 T HN 0.329 nan 8.240 nan 0.000 0.539 380 E N 1.682 121.969 120.200 0.144 0.000 2.367 380 E HA 0.566 4.916 4.350 -0.000 0.000 0.273 380 E C -0.637 176.089 176.600 0.211 0.000 0.903 380 E CA -0.887 55.594 56.400 0.135 0.000 0.764 380 E CB 2.350 32.106 29.700 0.094 0.000 1.252 380 E HN 0.624 nan 8.360 nan 0.000 0.446 381 I N -0.394 120.275 120.570 0.165 0.000 2.436 381 I HA 0.597 4.767 4.170 -0.000 0.000 0.289 381 I C -1.496 174.744 176.117 0.205 0.000 1.010 381 I CA -0.959 60.464 61.300 0.204 0.000 1.098 381 I CB 1.204 39.272 38.000 0.114 0.000 1.266 381 I HN 0.578 nan 8.210 nan 0.000 0.434 382 Y N 6.507 126.862 120.300 0.093 0.000 2.396 382 Y HA 0.287 4.837 4.550 -0.000 0.000 0.332 382 Y C 0.006 175.964 175.900 0.096 0.000 1.034 382 Y CA -0.244 57.854 58.100 -0.003 0.000 1.057 382 Y CB 1.418 39.743 38.460 -0.224 0.000 1.220 382 Y HN 0.774 nan 8.280 nan 0.000 0.440 383 Q N 3.922 123.424 119.800 -0.496 0.000 2.481 383 Q HA -0.239 4.101 4.340 -0.000 0.000 0.258 383 Q C 1.065 177.008 176.000 -0.094 0.000 0.961 383 Q CA 1.719 57.312 55.803 -0.350 0.000 1.121 383 Q CB -1.826 26.696 28.738 -0.360 0.000 1.503 383 Q HN 1.610 nan 8.270 nan 0.000 0.544 384 G N -1.013 107.769 108.800 -0.030 0.000 2.299 384 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.237 384 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.237 384 G C 0.234 175.169 174.900 0.058 0.000 1.027 384 G CA 0.394 45.502 45.100 0.012 0.000 0.619 384 G HN 0.347 nan 8.290 nan 0.000 0.513 385 R N 1.122 121.693 120.500 0.118 0.000 2.582 385 R HA 0.658 4.998 4.340 -0.000 0.000 0.271 385 R C 0.444 176.850 176.300 0.177 0.000 1.078 385 R CA 0.023 56.189 56.100 0.110 0.000 1.127 385 R CB 0.514 30.863 30.300 0.081 0.000 1.038 385 R HN 0.332 nan 8.270 nan 0.000 0.500 386 K N 1.812 122.234 120.400 0.037 0.000 2.172 386 K HA 0.310 4.630 4.320 -0.000 0.000 0.276 386 K C -0.837 175.753 176.600 -0.017 0.000 1.013 386 K CA -0.323 56.011 56.287 0.079 0.000 0.913 386 K CB 0.967 33.441 32.500 -0.043 0.000 1.055 386 K HN 0.348 nan 8.250 nan 0.000 0.461 387 Y N 0.544 120.906 120.300 0.102 0.000 2.659 387 Y HA 0.433 4.983 4.550 -0.000 0.000 0.333 387 Y C -0.039 175.927 175.900 0.111 0.000 1.064 387 Y CA -0.998 57.170 58.100 0.113 0.000 1.141 387 Y CB 1.472 39.988 38.460 0.094 0.000 1.316 387 Y HN 0.159 nan 8.280 nan 0.000 0.509 388 K N 1.219 121.778 120.400 0.265 0.000 2.471 388 K HA 0.302 4.622 4.320 -0.000 0.000 0.252 388 K C -0.893 175.821 176.600 0.191 0.000 0.938 388 K CA -0.514 55.887 56.287 0.189 0.000 0.796 388 K CB 1.750 34.336 32.500 0.144 0.000 1.161 388 K HN 0.854 nan 8.250 nan 0.000 0.425 389 T N 0.028 114.680 114.554 0.162 0.000 2.932 389 T HA 0.151 4.501 4.350 -0.000 0.000 0.312 389 T C -0.052 174.789 174.700 0.234 0.000 1.071 389 T CA -0.082 62.113 62.100 0.158 0.000 1.128 389 T CB 0.486 69.417 68.868 0.106 0.000 0.984 389 T HN 0.566 nan 8.240 nan 0.000 0.549 390 Y N 2.823 123.152 120.300 0.047 0.000 2.307 390 Y HA 0.434 4.984 4.550 -0.000 0.000 0.323 390 Y C -0.423 175.491 175.900 0.024 0.000 1.100 390 Y CA -1.338 56.787 58.100 0.042 0.000 1.140 390 Y CB 1.210 39.697 38.460 0.045 0.000 1.159 390 Y HN 0.990 nan 8.280 nan 0.000 0.436 391 R N 4.128 124.601 120.500 -0.046 0.000 2.686 391 R HA 0.776 5.116 4.340 -0.000 0.000 0.283 391 R C -0.431 175.734 176.300 -0.224 0.000 0.978 391 R CA -0.875 55.123 56.100 -0.171 0.000 0.897 391 R CB 1.828 32.096 30.300 -0.054 0.000 1.192 391 R HN 0.638 nan 8.270 nan 0.000 0.457 395 S N 0.225 115.897 115.700 -0.046 0.000 2.617 395 S HA 0.533 5.003 4.470 -0.000 0.000 0.259 395 S C 1.642 176.221 174.600 -0.036 0.000 1.301 395 S CA -0.536 57.636 58.200 -0.047 0.000 0.984 395 S CB 0.940 64.105 63.200 -0.060 0.000 0.954 395 S HN -0.074 nan 8.310 nan 0.000 0.572 396 I N 1.200 121.750 120.570 -0.033 0.000 2.110 396 I HA -0.118 4.052 4.170 -0.000 0.000 0.236 396 I C 3.022 179.124 176.117 -0.025 0.000 1.068 396 I CA 1.871 63.155 61.300 -0.027 0.000 1.333 396 I CB -2.400 35.585 38.000 -0.025 0.000 1.054 396 I HN 0.866 nan 8.210 nan 0.000 0.402 397 A N 1.107 123.911 122.820 -0.026 0.000 1.903 397 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 397 A C 1.820 179.389 177.584 -0.024 0.000 1.191 397 A CA 1.694 53.718 52.037 -0.023 0.000 0.638 397 A CB -1.043 17.944 19.000 -0.022 0.000 0.823 397 A HN 0.458 nan 8.150 nan 0.000 0.451 417 K N -0.374 120.017 120.400 -0.014 0.000 2.156 417 K HA 1.033 5.353 4.320 -0.000 0.000 0.271 417 K C 0.486 177.077 176.600 -0.014 0.000 0.995 417 K CA 0.102 56.379 56.287 -0.016 0.000 0.890 417 K CB 0.858 33.347 32.500 -0.017 0.000 1.073 417 K HN 2.251 nan 8.250 nan 0.000 0.454 418 L N 0.272 121.486 121.223 -0.015 0.000 2.913 418 L HA 0.574 4.914 4.340 -0.000 0.000 0.283 418 L C 0.563 177.425 176.870 -0.013 0.000 1.336 418 L CA -0.372 54.461 54.840 -0.013 0.000 0.815 418 L CB -0.744 41.308 42.059 -0.011 0.000 1.188 418 L HN 1.054 nan 8.230 nan 0.000 0.551 419 V N 0.138 120.043 119.914 -0.015 0.000 5.999 419 V HA -0.127 3.993 4.120 -0.000 0.000 0.275 419 V C -1.205 174.878 176.094 -0.019 0.000 0.606 419 V CA 0.102 62.393 62.300 -0.016 0.000 0.836 419 V CB -1.715 30.100 31.823 -0.013 0.000 0.869 419 V HN 0.981 nan 8.190 nan 0.000 0.497 420 P HA 0.354 nan 4.420 nan 0.000 0.274 420 P C 0.277 177.560 177.300 -0.029 0.000 1.231 420 P CA -0.020 63.064 63.100 -0.027 0.000 0.790 420 P CB 1.275 32.957 31.700 -0.031 0.000 0.951 421 E N 0.261 120.443 120.200 -0.031 0.000 2.583 421 E HA 0.291 4.641 4.350 -0.000 0.000 0.213 421 E C 0.655 177.231 176.600 -0.040 0.000 0.989 421 E CA -0.052 56.329 56.400 -0.033 0.000 0.991 421 E CB 1.158 30.841 29.700 -0.028 0.000 1.040 421 E HN 0.715 nan 8.360 nan 0.000 0.481 422 G N 1.179 109.951 108.800 -0.047 0.000 2.660 422 G HA2 0.519 4.479 3.960 -0.000 0.000 0.290 422 G HA3 0.519 4.479 3.960 -0.000 0.000 0.290 422 G C -1.078 173.780 174.900 -0.070 0.000 1.432 422 G CA -0.731 44.331 45.100 -0.064 0.000 0.807 422 G HN 0.038 nan 8.290 nan 0.000 0.485 423 I N -2.925 117.590 120.570 -0.091 0.000 3.133 423 I HA 0.824 4.994 4.170 -0.000 0.000 0.311 423 I C -0.474 175.578 176.117 -0.108 0.000 1.072 423 I CA -1.669 59.579 61.300 -0.087 0.000 1.015 423 I CB 1.907 39.861 38.000 -0.076 0.000 1.233 423 I HN 0.478 nan 8.210 nan 0.000 0.473 424 E N 0.948 121.098 120.200 -0.083 0.000 2.166 424 E HA 0.701 5.051 4.350 -0.000 0.000 0.275 424 E C -0.358 176.205 176.600 -0.062 0.000 0.941 424 E CA -0.695 55.660 56.400 -0.073 0.000 0.784 424 E CB 1.785 31.456 29.700 -0.048 0.000 1.115 424 E HN 0.970 nan 8.360 nan 0.000 0.399 425 G N 1.993 110.767 108.800 -0.044 0.000 2.911 425 G HA2 0.677 4.637 3.960 -0.000 0.000 0.299 425 G HA3 0.677 4.637 3.960 -0.000 0.000 0.299 425 G C -1.282 173.661 174.900 0.071 0.000 1.283 425 G CA -0.862 44.234 45.100 -0.006 0.000 0.805 425 G HN 0.511 nan 8.290 nan 0.000 0.548 426 R N -1.917 118.649 120.500 0.109 0.000 2.710 426 R HA 0.746 5.086 4.340 -0.000 0.000 0.270 426 R C -1.470 174.987 176.300 0.262 0.000 1.021 426 R CA -0.861 55.352 56.100 0.189 0.000 0.889 426 R CB 1.780 32.162 30.300 0.136 0.000 1.243 426 R HN 1.195 nan 8.270 nan 0.000 0.464 427 V N -1.831 118.253 119.914 0.284 0.000 3.007 427 V HA 0.884 5.004 4.120 -0.000 0.000 0.311 427 V C 0.221 176.381 176.094 0.111 0.000 1.120 427 V CA -0.835 61.591 62.300 0.210 0.000 0.980 427 V CB 1.635 33.510 31.823 0.086 0.000 1.033 427 V HN 1.124 nan 8.190 nan 0.000 0.429 428 A N 2.285 125.051 122.820 -0.090 0.000 2.520 428 A HA 0.371 4.691 4.320 -0.000 0.000 0.235 428 A C -0.257 177.253 177.584 -0.124 0.000 1.065 428 A CA 0.094 51.927 52.037 -0.340 0.000 0.764 428 A CB -0.330 18.492 19.000 -0.297 0.000 1.002 428 A HN 1.567 nan 8.150 nan 0.000 0.502 429 Y N 1.355 121.531 120.300 -0.207 0.000 2.721 429 Y HA 0.137 4.687 4.550 -0.000 0.000 0.329 429 Y C 0.983 176.836 175.900 -0.079 0.000 1.211 429 Y CA 0.770 58.811 58.100 -0.098 0.000 1.512 429 Y CB 0.528 38.942 38.460 -0.077 0.000 1.249 429 Y HN 0.699 nan 8.280 nan 0.000 0.549 430 K N 4.877 124.893 120.400 -0.641 0.000 2.355 430 K HA 0.343 4.663 4.320 -0.000 0.000 0.198 430 K C 0.869 177.092 176.600 -0.628 0.000 1.039 430 K CA 0.365 56.352 56.287 -0.499 0.000 1.075 430 K CB 0.355 32.694 32.500 -0.269 0.000 0.870 430 K HN 1.036 nan 8.250 nan 0.000 0.540 431 G N 1.821 109.891 108.800 -1.218 0.000 2.632 431 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.224 431 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.224 431 G C -0.366 174.388 174.900 -0.244 0.000 1.341 431 G CA -0.602 44.129 45.100 -0.616 0.000 0.880 431 G HN 0.331 nan 8.290 nan 0.000 0.566 432 A N -0.176 122.600 122.820 -0.072 0.000 2.540 432 A HA 0.676 4.996 4.320 -0.000 0.000 0.239 432 A C 1.829 179.428 177.584 0.025 0.000 1.061 432 A CA 1.259 53.296 52.037 0.001 0.000 0.758 432 A CB 0.324 19.346 19.000 0.036 0.000 0.991 432 A HN 2.506 nan 8.150 nan 0.000 0.502 433 A N 2.138 124.993 122.820 0.059 0.000 2.015 433 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 433 A C 2.386 180.069 177.584 0.165 0.000 1.163 433 A CA 1.985 54.106 52.037 0.140 0.000 0.646 433 A CB -0.962 18.072 19.000 0.057 0.000 0.806 433 A HN 1.695 nan 8.150 nan 0.000 0.448 434 S N 0.410 116.181 115.700 0.119 0.000 2.400 434 S HA -0.205 4.264 4.470 -0.000 0.000 0.232 434 S C 1.323 176.028 174.600 0.175 0.000 1.025 434 S CA 1.535 59.826 58.200 0.152 0.000 0.993 434 S CB -0.460 62.834 63.200 0.157 0.000 0.808 434 S HN 0.522 nan 8.310 nan 0.000 0.478 435 D N 1.675 122.147 120.400 0.121 0.000 2.123 435 D HA 0.054 4.694 4.640 -0.000 0.000 0.200 435 D C 2.041 178.432 176.300 0.152 0.000 0.976 435 D CA 0.717 54.781 54.000 0.107 0.000 0.831 435 D CB -0.269 40.548 40.800 0.028 0.000 0.974 435 D HN 0.326 nan 8.370 nan 0.000 0.469 436 I N 0.912 121.556 120.570 0.122 0.000 2.127 436 I HA -0.198 3.972 4.170 -0.000 0.000 0.241 436 I C 2.556 178.748 176.117 0.125 0.000 1.075 436 I CA 0.744 62.090 61.300 0.077 0.000 1.334 436 I CB -1.233 36.792 38.000 0.042 0.000 1.040 436 I HN -0.076 nan 8.210 nan 0.000 0.405 437 V N 0.805 120.865 119.914 0.244 0.000 2.332 437 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 437 V C 2.427 178.612 176.094 0.151 0.000 1.055 437 V CA 1.929 64.366 62.300 0.227 0.000 1.038 437 V CB -0.896 31.071 31.823 0.241 0.000 0.651 437 V HN 0.289 nan 8.190 nan 0.000 0.450 438 F N 0.406 120.391 119.950 0.058 0.000 2.171 438 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 438 F C 1.812 177.624 175.800 0.019 0.000 1.090 438 F CA 1.121 59.140 58.000 0.032 0.000 1.293 438 F CB -0.111 38.907 39.000 0.031 0.000 1.013 438 F HN 0.149 nan 8.300 nan 0.000 0.486 442 G N 0.572 109.212 108.800 -0.266 0.000 2.418 442 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 442 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 442 G C 1.407 176.245 174.900 -0.102 0.000 1.158 442 G CA 1.192 46.161 45.100 -0.218 0.000 0.771 442 G HN 0.428 nan 8.290 nan 0.000 0.545 443 G N 0.790 109.553 108.800 -0.062 0.000 2.403 443 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.216 443 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.216 443 G C 1.752 176.647 174.900 -0.009 0.000 1.154 443 G CA 0.657 45.749 45.100 -0.013 0.000 0.784 443 G HN 0.446 nan 8.290 nan 0.000 0.538 444 I N 0.060 120.611 120.570 -0.031 0.000 2.202 444 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 444 I C 3.011 179.109 176.117 -0.031 0.000 1.091 444 I CA 0.898 62.185 61.300 -0.022 0.000 1.368 444 I CB -0.200 37.781 38.000 -0.032 0.000 1.058 444 I HN 0.064 nan 8.210 nan 0.000 0.410 445 R N 0.299 120.761 120.500 -0.063 0.000 2.096 445 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 445 R C 2.508 178.765 176.300 -0.070 0.000 1.127 445 R CA 1.587 57.644 56.100 -0.073 0.000 0.968 445 R CB -0.302 29.937 30.300 -0.103 0.000 0.861 445 R HN 0.280 nan 8.270 nan 0.000 0.440 446 S N 0.214 115.879 115.700 -0.058 0.000 2.368 446 S HA -0.029 4.441 4.470 -0.000 0.000 0.224 446 S C 1.348 175.969 174.600 0.036 0.000 1.029 446 S CA 0.876 59.034 58.200 -0.070 0.000 0.988 446 S CB -0.376 62.824 63.200 -0.001 0.000 0.838 446 S HN 0.533 nan 8.310 nan 0.000 0.462 450 Y N 1.796 122.073 120.300 -0.039 0.000 2.224 450 Y HA -0.053 4.496 4.550 -0.000 0.000 0.289 450 Y C 2.925 178.801 175.900 -0.041 0.000 1.146 450 Y CA 2.042 60.117 58.100 -0.041 0.000 1.182 450 Y CB -0.025 38.410 38.460 -0.041 0.000 0.983 450 Y HN 0.278 nan 8.280 nan 0.000 0.524 451 V N -3.467 116.516 119.914 0.115 0.000 3.647 451 V HA 0.472 4.592 4.120 -0.000 0.000 0.279 451 V C 1.440 177.549 176.094 0.025 0.000 1.314 451 V CA 0.401 62.727 62.300 0.045 0.000 1.125 451 V CB -0.356 31.467 31.823 0.000 0.000 0.907 451 V HN 0.424 nan 8.190 nan 0.000 0.434 452 G N 0.441 109.254 108.800 0.023 0.000 2.221 452 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.265 452 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.265 452 G C 0.217 175.128 174.900 0.018 0.000 1.041 452 G CA 0.245 45.360 45.100 0.026 0.000 0.807 452 G HN 1.739 nan 8.290 nan 0.000 0.502 453 A N -0.029 122.790 122.820 -0.002 0.000 2.260 453 A HA 0.747 5.067 4.320 -0.000 0.000 0.312 453 A C 1.498 179.068 177.584 -0.022 0.000 1.321 453 A CA 0.912 52.939 52.037 -0.017 0.000 0.928 453 A CB 0.852 19.834 19.000 -0.031 0.000 1.158 453 A HN 1.398 nan 8.150 nan 0.000 0.542 454 G N 1.738 110.527 108.800 -0.019 0.000 2.511 454 G HA2 0.246 4.206 3.960 -0.000 0.000 0.217 454 G HA3 0.246 4.206 3.960 -0.000 0.000 0.217 454 G C 0.202 175.083 174.900 -0.031 0.000 1.133 454 G CA 1.018 46.105 45.100 -0.020 0.000 0.792 454 G HN 0.856 nan 8.290 nan 0.000 0.539 455 D N -2.340 118.035 120.400 -0.042 0.000 2.615 455 D HA 0.248 4.888 4.640 -0.000 0.000 0.267 455 D C 0.945 177.191 176.300 -0.090 0.000 1.236 455 D CA -0.906 53.061 54.000 -0.054 0.000 0.839 455 D CB 0.278 41.051 40.800 -0.045 0.000 1.380 455 D HN -0.081 nan 8.370 nan 0.000 0.433 456 I N -0.216 120.283 120.570 -0.119 0.000 2.335 456 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 456 I C 2.442 178.337 176.117 -0.370 0.000 1.129 456 I CA 1.236 62.398 61.300 -0.231 0.000 1.402 456 I CB -0.207 37.666 38.000 -0.213 0.000 1.069 456 I HN 0.533 nan 8.210 nan 0.000 0.424 457 Q N 1.316 120.989 119.800 -0.211 0.000 2.061 457 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 457 Q C 2.010 177.956 176.000 -0.089 0.000 0.984 457 Q CA 1.855 57.576 55.803 -0.136 0.000 0.846 457 Q CB -0.002 28.709 28.738 -0.043 0.000 0.902 457 Q HN 0.527 nan 8.270 nan 0.000 0.421 458 E N 0.059 120.215 120.200 -0.073 0.000 2.153 458 E HA -0.196 4.153 4.350 -0.000 0.000 0.194 458 E C 1.978 178.554 176.600 -0.040 0.000 0.988 458 E CA 0.765 57.142 56.400 -0.039 0.000 0.811 458 E CB -0.035 29.645 29.700 -0.033 0.000 0.746 458 E HN 0.251 nan 8.360 nan 0.000 0.466 459 L N 0.865 122.034 121.223 -0.091 0.000 2.017 459 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 459 L C 2.060 178.942 176.870 0.021 0.000 1.073 459 L CA 1.895 56.692 54.840 -0.071 0.000 0.745 459 L CB -0.468 41.517 42.059 -0.124 0.000 0.894 459 L HN 0.169 nan 8.230 nan 0.000 0.432 460 H N -0.302 118.775 119.070 0.011 0.000 2.321 460 H HA -0.051 4.505 4.556 -0.000 0.000 0.300 460 H C 2.185 177.516 175.328 0.006 0.000 1.087 460 H CA 1.523 57.583 56.048 0.019 0.000 1.319 460 H CB -0.156 29.619 29.762 0.022 0.000 1.379 460 H HN 0.372 nan 8.280 nan 0.000 0.501 461 E N 0.437 120.713 120.200 0.127 0.000 2.107 461 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 461 E C 1.527 178.147 176.600 0.035 0.000 0.982 461 E CA 0.745 57.184 56.400 0.064 0.000 0.809 461 E CB -0.146 29.579 29.700 0.041 0.000 0.756 461 E HN 0.648 nan 8.360 nan 0.000 0.459 462 N N 0.081 118.792 118.700 0.017 0.000 2.463 462 N HA 0.147 4.887 4.740 -0.000 0.000 0.183 462 N C 0.448 175.941 175.510 -0.028 0.000 1.064 462 N CA 0.142 53.191 53.050 -0.001 0.000 0.879 462 N CB 0.431 38.916 38.487 -0.003 0.000 1.148 462 N HN -0.060 nan 8.380 nan 0.000 0.451 463 A N 1.424 124.211 122.820 -0.054 0.000 2.511 463 A HA 0.126 4.446 4.320 -0.000 0.000 0.242 463 A C -0.101 177.359 177.584 -0.208 0.000 1.069 463 A CA 0.489 52.443 52.037 -0.139 0.000 0.763 463 A CB 0.271 19.163 19.000 -0.180 0.000 1.001 463 A HN 0.214 nan 8.150 nan 0.000 0.498 464 Q N 0.203 119.851 119.800 -0.253 0.000 2.413 464 Q HA 0.641 4.980 4.340 -0.000 0.000 0.276 464 Q C -1.587 174.215 176.000 -0.330 0.000 1.099 464 Q CA -0.377 55.293 55.803 -0.222 0.000 0.814 464 Q CB 2.285 30.984 28.738 -0.066 0.000 1.379 464 Q HN 0.699 nan 8.270 nan 0.000 0.436 465 F N 0.204 120.150 119.950 -0.007 0.000 2.458 465 F HA 0.590 5.117 4.527 -0.000 0.000 0.330 465 F C -0.175 175.575 175.800 -0.084 0.000 1.082 465 F CA -1.057 56.912 58.000 -0.052 0.000 0.995 465 F CB 1.634 40.577 39.000 -0.095 0.000 1.170 465 F HN 0.196 nan 8.300 nan 0.000 0.478 466 V N 2.935 122.921 119.914 0.121 0.000 2.495 466 V HA 0.385 4.505 4.120 -0.000 0.000 0.298 466 V C -0.350 175.722 176.094 -0.036 0.000 1.031 466 V CA -0.327 61.984 62.300 0.018 0.000 0.871 466 V CB 1.536 33.361 31.823 0.003 0.000 0.988 466 V HN 0.909 nan 8.190 nan 0.000 0.432 470 G N 0.778 109.587 108.800 0.015 0.000 2.442 470 G HA2 0.088 4.047 3.960 -0.000 0.000 0.219 470 G HA3 0.088 4.047 3.960 -0.000 0.000 0.219 470 G C 1.511 176.418 174.900 0.011 0.000 1.141 470 G CA 1.417 46.529 45.100 0.020 0.000 0.763 470 G HN 1.431 nan 8.290 nan 0.000 0.554 471 A N 0.864 123.682 122.820 -0.004 0.000 1.898 471 A HA 0.177 4.497 4.320 -0.000 0.000 0.216 471 A C 2.729 180.293 177.584 -0.033 0.000 1.181 471 A CA 2.028 54.052 52.037 -0.021 0.000 0.620 471 A CB -1.063 17.922 19.000 -0.026 0.000 0.819 471 A HN 0.539 nan 8.150 nan 0.000 0.442 472 G N -0.458 108.328 108.800 -0.023 0.000 2.432 472 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 472 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 472 G C 1.560 176.450 174.900 -0.017 0.000 1.135 472 G CA 0.942 46.024 45.100 -0.030 0.000 0.767 472 G HN 0.443 nan 8.290 nan 0.000 0.550 473 L N 0.284 121.519 121.223 0.019 0.000 2.056 473 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 473 L C 2.707 179.642 176.870 0.108 0.000 1.078 473 L CA 0.746 55.633 54.840 0.077 0.000 0.749 473 L CB -0.176 41.950 42.059 0.110 0.000 0.901 473 L HN 0.087 nan 8.230 nan 0.000 0.433 474 I N 0.275 120.872 120.570 0.044 0.000 2.163 474 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 474 I C 2.480 178.547 176.117 -0.083 0.000 1.085 474 I CA 1.724 63.030 61.300 0.010 0.000 1.347 474 I CB -1.361 36.611 38.000 -0.048 0.000 1.044 474 I HN 0.476 nan 8.210 nan 0.000 0.408 475 E N 1.027 121.132 120.200 -0.158 0.000 2.153 475 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 475 E C 2.150 178.690 176.600 -0.100 0.000 0.988 475 E CA 1.629 57.883 56.400 -0.244 0.000 0.811 475 E CB 0.129 29.732 29.700 -0.162 0.000 0.746 475 E HN 0.372 nan 8.360 nan 0.000 0.466 476 S N -0.125 115.531 115.700 -0.073 0.000 2.402 476 S HA -0.059 4.411 4.470 -0.000 0.000 0.229 476 S C 0.656 175.121 174.600 -0.226 0.000 1.021 476 S CA 0.417 58.534 58.200 -0.139 0.000 0.974 476 S CB -0.227 62.875 63.200 -0.165 0.000 0.800 476 S HN 0.366 nan 8.310 nan 0.000 0.484 477 H N 0.937 119.974 119.070 -0.054 0.000 2.488 477 H HA 0.319 4.875 4.556 -0.000 0.000 0.347 477 H C -2.517 172.816 175.328 0.008 0.000 1.174 477 H CA -2.034 53.965 56.048 -0.083 0.000 1.307 477 H CB 0.224 30.005 29.762 0.033 0.000 1.517 477 H HN 0.033 nan 8.280 nan 0.000 0.554 478 P HA 0.026 nan 4.420 nan 0.000 0.267 478 P C -0.380 177.023 177.300 0.172 0.000 1.200 478 P CA 0.612 63.721 63.100 0.015 0.000 0.772 478 P CB 0.483 32.132 31.700 -0.086 0.000 0.855 479 H N -0.585 118.492 119.070 0.012 0.000 3.017 479 H HA 0.286 4.842 4.556 -0.000 0.000 0.346 479 H C -0.754 174.584 175.328 0.016 0.000 1.286 479 H CA -0.871 55.192 56.048 0.026 0.000 1.120 479 H CB 0.761 30.538 29.762 0.025 0.000 1.860 479 H HN 0.357 nan 8.280 nan 0.000 0.542 480 D N -0.269 120.177 120.400 0.077 0.000 2.708 480 D HA -0.146 4.493 4.640 -0.000 0.000 0.236 480 D C -0.459 175.821 176.300 -0.035 0.000 1.146 480 D CA 1.021 55.035 54.000 0.022 0.000 0.662 480 D CB -1.122 39.702 40.800 0.040 0.000 1.059 480 D HN 0.437 nan 8.370 nan 0.000 0.428 481 V N 0.088 119.989 119.914 -0.020 0.000 2.924 481 V HA 0.244 4.364 4.120 -0.000 0.000 0.300 481 V C -1.036 175.063 176.094 0.008 0.000 1.227 481 V CA -0.771 61.516 62.300 -0.022 0.000 0.954 481 V CB 2.293 34.082 31.823 -0.057 0.000 1.055 481 V HN 0.135 nan 8.190 nan 0.000 0.429 482 Q N 5.438 125.244 119.800 0.010 0.000 2.307 482 Q HA 0.558 4.898 4.340 -0.000 0.000 0.259 482 Q C -1.059 174.956 176.000 0.025 0.000 0.998 482 Q CA -0.261 55.555 55.803 0.021 0.000 0.923 482 Q CB 0.937 29.685 28.738 0.017 0.000 1.196 482 Q HN 0.761 nan 8.270 nan 0.000 0.416 483 I N 3.908 124.501 120.570 0.039 0.000 2.362 483 I HA 0.181 4.351 4.170 -0.000 0.000 0.289 483 I C 0.980 177.122 176.117 0.042 0.000 0.994 483 I CA -0.398 60.929 61.300 0.046 0.000 1.158 483 I CB 1.768 39.813 38.000 0.075 0.000 1.315 483 I HN 0.768 nan 8.210 nan 0.000 0.451 484 T N 0.615 115.190 114.554 0.034 0.000 2.990 484 T HA 0.122 4.472 4.350 -0.000 0.000 0.249 484 T C 0.519 175.237 174.700 0.030 0.000 1.039 484 T CA -0.009 62.109 62.100 0.030 0.000 1.036 484 T CB -0.053 68.829 68.868 0.022 0.000 0.994 484 T HN 0.449 nan 8.240 nan 0.000 0.489 485 N N 1.528 120.248 118.700 0.034 0.000 2.540 485 N HA 0.299 5.039 4.740 -0.000 0.000 0.275 485 N C -1.204 174.334 175.510 0.048 0.000 1.053 485 N CA -0.437 52.634 53.050 0.034 0.000 0.876 485 N CB 1.497 40.000 38.487 0.027 0.000 1.284 485 N HN 0.310 nan 8.380 nan 0.000 0.518 486 E N 1.020 121.252 120.200 0.054 0.000 2.371 486 E HA 0.498 4.848 4.350 -0.000 0.000 0.257 486 E C -0.196 176.453 176.600 0.081 0.000 1.134 486 E CA -0.729 55.719 56.400 0.081 0.000 0.919 486 E CB 0.790 30.528 29.700 0.062 0.000 1.025 486 E HN 0.615 nan 8.360 nan 0.000 0.438 487 A N 2.372 125.265 122.820 0.122 0.000 2.340 487 A HA 0.230 4.550 4.320 -0.000 0.000 0.268 487 A C -1.587 176.056 177.584 0.098 0.000 1.100 487 A CA -1.260 50.842 52.037 0.109 0.000 0.803 487 A CB 0.073 19.153 19.000 0.133 0.000 1.043 487 A HN 0.505 nan 8.150 nan 0.000 0.488 488 P HA -0.103 nan 4.420 nan 0.000 0.236 488 P C 0.128 177.474 177.300 0.077 0.000 1.172 488 P CA 1.062 64.198 63.100 0.061 0.000 0.759 488 P CB 0.075 31.810 31.700 0.058 0.000 0.843 489 N N -1.796 116.973 118.700 0.114 0.000 2.197 489 N HA -0.016 4.724 4.740 -0.000 0.000 0.228 489 N C -0.918 174.734 175.510 0.236 0.000 1.212 489 N CA -0.548 52.584 53.050 0.137 0.000 0.883 489 N CB -0.187 38.369 38.487 0.115 0.000 1.107 489 N HN 0.054 nan 8.380 nan 0.000 0.519 490 Y N 1.229 121.579 120.300 0.083 0.000 2.294 490 Y HA 0.437 4.987 4.550 -0.000 0.000 0.329 490 Y C -0.582 175.396 175.900 0.130 0.000 1.135 490 Y CA -0.351 57.817 58.100 0.113 0.000 1.213 490 Y CB 0.626 39.106 38.460 0.034 0.000 1.141 490 Y HN 0.174 nan 8.280 nan 0.000 0.446 491 S N 0.995 116.520 115.700 -0.292 0.000 3.716 491 S HA 0.219 4.689 4.470 -0.000 0.000 0.741 491 S C -0.362 174.180 174.600 -0.096 0.000 1.683 491 S CA 0.911 58.967 58.200 -0.240 0.000 1.667 491 S CB -1.379 61.585 63.200 -0.393 0.000 0.373 491 S HN 1.915 nan 8.310 nan 0.000 0.933 492 V N 0.000 119.870 119.914 -0.074 0.000 2.409 492 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 492 V CA 0.000 nan 62.300 nan 0.000 1.235 492 V CB 0.000 nan 31.823 nan 0.000 1.184 492 V HN 0.000 nan 8.190 nan 0.000 0.556