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 1ht1_1_E DATA FIRST_RESID 1 DATA SEQUENCE HSEMTPREIV SELDKHIIGQ DNAKRSVAIA LRNRWRRMQL NEELRHEVTP DATA SEQUENCE KNILMIGPTG VGKTEIARRL AKLANAPFIK VEATKFTEVG YVGKEVDSII DATA SEQUENCE RDLTDAAVKM VRVQAIEKNR YRAEELAEER ILDVLIPPAK NNWGQTEQQQ DATA SEQUENCE EPSAARQAFR KKLREGQLDD KEIEXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXK QKARKLKIKD AMKLLIEEEA AKLVNPEELK QDAIDAVEQH DATA SEQUENCE GIVFIDEIDK ICKRGESSGP DVSREGVQRD LLPLVEGCTV STKHGMVKTD DATA SEQUENCE HILFIASGAF QIAKPSDLIP ELQGRLPIRV ELQALTTSDF ERILTEPNAS DATA SEQUENCE ITVQYKALMA TEGVNIEFTD SGIKRIAEAA WQVNESTENI GARRLHTVLE DATA SEQUENCE RLMEEISYDA SDLSGQNITI DADYVSKHLD ALVADEDLSR FIL 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 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.352 175.328 0.040 0.000 0.993 1 H CA 0.000 56.082 56.048 0.056 0.000 1.023 1 H CB 0.000 29.697 29.762 -0.108 0.000 1.292 2 S N 0.999 116.773 115.700 0.123 0.000 2.569 2 S HA -0.022 4.448 4.470 -0.000 0.000 0.274 2 S C 0.735 175.286 174.600 -0.081 0.000 1.353 2 S CA 0.318 58.522 58.200 0.008 0.000 1.023 2 S CB 0.572 63.758 63.200 -0.023 0.000 0.876 2 S HN 0.445 nan 8.310 nan 0.000 0.540 3 E N 1.827 121.920 120.200 -0.179 0.000 2.693 3 E HA 0.183 4.533 4.350 -0.000 0.000 0.214 3 E C -0.544 175.811 176.600 -0.408 0.000 0.990 3 E CA -0.147 56.010 56.400 -0.405 0.000 1.047 3 E CB 0.370 29.924 29.700 -0.243 0.000 1.039 3 E HN 0.599 nan 8.360 nan 0.000 0.475 4 M N 2.343 121.785 119.600 -0.264 0.000 2.219 4 M HA 0.058 4.538 4.480 -0.000 0.000 0.353 4 M C 0.612 176.776 176.300 -0.226 0.000 1.304 4 M CA 0.135 55.316 55.300 -0.199 0.000 1.115 4 M CB 0.547 33.078 32.600 -0.115 0.000 1.664 4 M HN 0.013 nan 8.290 nan 0.000 0.459 5 T N 1.076 115.514 114.554 -0.194 0.000 2.900 5 T HA 0.150 4.500 4.350 -0.000 0.000 0.307 5 T C -2.047 172.600 174.700 -0.089 0.000 1.065 5 T CA -1.475 60.531 62.100 -0.157 0.000 1.105 5 T CB 0.414 69.215 68.868 -0.112 0.000 0.979 5 T HN 0.418 nan 8.240 nan 0.000 0.544 6 P HA -0.171 nan 4.420 nan 0.000 0.218 6 P C 1.719 179.008 177.300 -0.018 0.000 1.154 6 P CA 1.178 64.267 63.100 -0.019 0.000 0.872 6 P CB 0.040 31.742 31.700 0.005 0.000 0.790 7 R N -0.160 120.327 120.500 -0.021 0.000 2.105 7 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 7 R C 2.155 178.441 176.300 -0.023 0.000 1.135 7 R CA 1.655 57.745 56.100 -0.017 0.000 0.967 7 R CB -0.369 29.921 30.300 -0.017 0.000 0.861 7 R HN 0.204 nan 8.270 nan 0.000 0.442 8 E N -0.078 120.099 120.200 -0.038 0.000 2.106 8 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 8 E C 1.894 178.476 176.600 -0.031 0.000 0.984 8 E CA 1.045 57.421 56.400 -0.040 0.000 0.806 8 E CB 0.072 29.735 29.700 -0.061 0.000 0.750 8 E HN 0.257 nan 8.360 nan 0.000 0.458 9 I N 0.517 121.069 120.570 -0.030 0.000 2.179 9 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 9 I C 2.313 178.429 176.117 -0.002 0.000 1.088 9 I CA 1.079 62.369 61.300 -0.016 0.000 1.357 9 I CB -1.063 36.931 38.000 -0.011 0.000 1.051 9 I HN 0.051 nan 8.210 nan 0.000 0.409 10 V N 0.273 120.187 119.914 -0.000 0.000 2.392 10 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 10 V C 2.703 178.799 176.094 0.004 0.000 1.059 10 V CA 1.911 64.215 62.300 0.007 0.000 1.051 10 V CB -0.719 31.109 31.823 0.008 0.000 0.658 10 V HN 0.365 nan 8.190 nan 0.000 0.455 11 S N -0.689 115.007 115.700 -0.006 0.000 2.356 11 S HA -0.217 4.253 4.470 -0.000 0.000 0.223 11 S C 2.062 176.655 174.600 -0.011 0.000 1.032 11 S CA 1.670 59.863 58.200 -0.012 0.000 1.005 11 S CB -0.240 62.950 63.200 -0.018 0.000 0.867 11 S HN 0.658 nan 8.310 nan 0.000 0.449 12 E N 0.666 120.864 120.200 -0.003 0.000 2.204 12 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 12 E C 1.603 178.234 176.600 0.052 0.000 0.990 12 E CA 0.612 57.020 56.400 0.014 0.000 0.821 12 E CB -0.210 29.499 29.700 0.015 0.000 0.750 12 E HN 0.259 nan 8.360 nan 0.000 0.477 13 L N 0.570 121.819 121.223 0.044 0.000 2.270 13 L HA 0.003 4.343 4.340 -0.000 0.000 0.210 13 L C 1.236 178.133 176.870 0.046 0.000 1.104 13 L CA 1.266 56.147 54.840 0.069 0.000 0.804 13 L CB -0.332 41.752 42.059 0.042 0.000 0.937 13 L HN 0.043 nan 8.230 nan 0.000 0.450 14 D N -0.272 120.131 120.400 0.006 0.000 2.310 14 D HA -0.131 4.509 4.640 -0.000 0.000 0.212 14 D C 1.833 178.093 176.300 -0.067 0.000 0.965 14 D CA 0.716 54.706 54.000 -0.016 0.000 0.879 14 D CB 0.123 40.912 40.800 -0.018 0.000 0.921 14 D HN 0.315 nan 8.370 nan 0.000 0.510 15 K N -0.446 119.875 120.400 -0.131 0.000 2.439 15 K HA -0.032 4.288 4.320 -0.000 0.000 0.197 15 K C 1.052 177.298 176.600 -0.590 0.000 1.041 15 K CA 0.701 56.790 56.287 -0.330 0.000 0.970 15 K CB 0.288 32.548 32.500 -0.400 0.000 0.773 15 K HN 0.353 nan 8.250 nan 0.000 0.479 16 H N -1.098 117.961 119.070 -0.018 0.000 3.266 16 H HA 0.224 4.780 4.556 -0.000 0.000 0.246 16 H C -0.093 175.227 175.328 -0.012 0.000 0.998 16 H CA -0.019 56.017 56.048 -0.020 0.000 1.152 16 H CB 0.926 30.667 29.762 -0.035 0.000 1.466 16 H HN -0.055 nan 8.280 nan 0.000 0.481 17 I N 2.622 123.243 120.570 0.085 0.000 2.406 17 I HA 0.163 4.333 4.170 -0.000 0.000 0.290 17 I C -0.179 175.962 176.117 0.040 0.000 0.999 17 I CA -0.466 60.871 61.300 0.061 0.000 1.124 17 I CB 2.188 40.224 38.000 0.060 0.000 1.289 17 I HN -0.079 nan 8.210 nan 0.000 0.441 18 I N 5.522 126.118 120.570 0.044 0.000 2.441 18 I HA 0.411 4.581 4.170 -0.000 0.000 0.287 18 I C 1.198 177.346 176.117 0.052 0.000 1.049 18 I CA 0.401 61.727 61.300 0.042 0.000 1.381 18 I CB -0.033 37.999 38.000 0.053 0.000 1.409 18 I HN 0.852 nan 8.210 nan 0.000 0.523 19 G N 6.564 115.389 108.800 0.042 0.000 2.601 19 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.261 19 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.261 19 G C -0.095 174.834 174.900 0.048 0.000 1.289 19 G CA -0.047 45.080 45.100 0.044 0.000 0.920 19 G HN 0.734 nan 8.290 nan 0.000 0.571 20 Q N -1.656 118.175 119.800 0.052 0.000 2.460 20 Q HA -0.209 4.131 4.340 -0.000 0.000 0.311 20 Q C 0.679 176.707 176.000 0.048 0.000 1.396 20 Q CA 1.666 57.502 55.803 0.056 0.000 0.838 20 Q CB -1.803 26.975 28.738 0.066 0.000 1.140 20 Q HN 0.956 nan 8.270 nan 0.000 0.415 21 D N 0.556 120.979 120.400 0.039 0.000 2.117 21 D HA -0.087 4.553 4.640 -0.000 0.000 0.198 21 D C 1.435 177.756 176.300 0.035 0.000 0.982 21 D CA 1.847 55.867 54.000 0.033 0.000 0.828 21 D CB 0.067 40.883 40.800 0.026 0.000 0.967 21 D HN 0.546 nan 8.370 nan 0.000 0.464 22 N N -0.485 118.237 118.700 0.037 0.000 2.104 22 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 22 N C 1.718 177.255 175.510 0.045 0.000 1.024 22 N CA 1.080 54.152 53.050 0.037 0.000 0.853 22 N CB -0.124 38.384 38.487 0.036 0.000 1.008 22 N HN 0.202 nan 8.380 nan 0.000 0.424 23 A N 1.131 123.983 122.820 0.054 0.000 2.015 23 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 23 A C 1.977 179.599 177.584 0.064 0.000 1.163 23 A CA 1.131 53.208 52.037 0.066 0.000 0.646 23 A CB -0.135 18.914 19.000 0.080 0.000 0.806 23 A HN 0.192 nan 8.150 nan 0.000 0.448 24 K N -0.514 119.918 120.400 0.053 0.000 2.025 24 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 24 K C 2.310 178.935 176.600 0.041 0.000 1.049 24 K CA 1.286 57.601 56.287 0.045 0.000 0.933 24 K CB -0.186 32.336 32.500 0.037 0.000 0.714 24 K HN 0.346 nan 8.250 nan 0.000 0.438 25 R N 0.553 121.075 120.500 0.038 0.000 2.083 25 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 25 R C 2.520 178.845 176.300 0.042 0.000 1.137 25 R CA 1.761 57.881 56.100 0.034 0.000 0.951 25 R CB -0.276 30.042 30.300 0.031 0.000 0.851 25 R HN 0.101 nan 8.270 nan 0.000 0.434 26 S N 0.183 115.911 115.700 0.048 0.000 2.348 26 S HA -0.121 4.349 4.470 -0.000 0.000 0.221 26 S C 1.973 176.611 174.600 0.063 0.000 1.033 26 S CA 1.200 59.432 58.200 0.054 0.000 1.010 26 S CB -0.248 62.987 63.200 0.057 0.000 0.891 26 S HN 0.117 nan 8.310 nan 0.000 0.442 27 V N 1.448 121.403 119.914 0.069 0.000 2.626 27 V HA -0.098 4.022 4.120 -0.000 0.000 0.252 27 V C 2.307 178.439 176.094 0.063 0.000 1.067 27 V CA 1.473 63.819 62.300 0.077 0.000 1.081 27 V CB -0.677 31.196 31.823 0.083 0.000 0.686 27 V HN 0.516 nan 8.190 nan 0.000 0.468 28 A N -0.578 122.272 122.820 0.050 0.000 1.970 28 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 28 A C 2.056 179.667 177.584 0.046 0.000 1.170 28 A CA 1.207 53.267 52.037 0.039 0.000 0.645 28 A CB -0.351 18.665 19.000 0.026 0.000 0.816 28 A HN 0.508 nan 8.150 nan 0.000 0.447 29 I N -0.192 120.409 120.570 0.052 0.000 2.315 29 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 29 I C 2.936 179.099 176.117 0.077 0.000 1.117 29 I CA 0.856 62.193 61.300 0.061 0.000 1.404 29 I CB -0.247 37.788 38.000 0.057 0.000 1.071 29 I HN 0.351 nan 8.210 nan 0.000 0.419 30 A N 0.910 123.776 122.820 0.076 0.000 1.865 30 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 30 A C 2.368 180.009 177.584 0.095 0.000 1.191 30 A CA 1.534 53.623 52.037 0.087 0.000 0.623 30 A CB -0.909 18.144 19.000 0.089 0.000 0.826 30 A HN 0.395 nan 8.150 nan 0.000 0.444 31 L N -1.219 120.055 121.223 0.085 0.000 1.976 31 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 31 L C 2.779 179.718 176.870 0.115 0.000 1.071 31 L CA 2.067 56.960 54.840 0.089 0.000 0.746 31 L CB -0.331 41.763 42.059 0.058 0.000 0.890 31 L HN 0.421 nan 8.230 nan 0.000 0.432 32 R N 0.644 121.204 120.500 0.099 0.000 2.139 32 R HA -0.221 4.119 4.340 -0.000 0.000 0.243 32 R C 1.704 178.153 176.300 0.248 0.000 1.145 32 R CA 2.106 58.290 56.100 0.140 0.000 0.976 32 R CB -0.785 29.568 30.300 0.087 0.000 0.866 32 R HN 0.504 nan 8.270 nan 0.000 0.449 33 N N -0.571 118.237 118.700 0.179 0.000 2.244 33 N HA -0.067 4.673 4.740 -0.000 0.000 0.183 33 N C 1.401 177.006 175.510 0.158 0.000 1.016 33 N CA 0.866 54.013 53.050 0.163 0.000 0.866 33 N CB -0.002 38.555 38.487 0.117 0.000 0.980 33 N HN 0.170 nan 8.380 nan 0.000 0.430 34 R N -0.561 120.038 120.500 0.165 0.000 2.193 34 R HA -0.144 4.196 4.340 -0.000 0.000 0.229 34 R C 1.593 178.000 176.300 0.179 0.000 1.110 34 R CA 0.925 57.109 56.100 0.140 0.000 0.988 34 R CB -0.231 30.155 30.300 0.143 0.000 0.871 34 R HN 0.482 nan 8.270 nan 0.000 0.458 35 W N 1.746 123.070 121.300 0.039 0.000 2.488 35 W HA -0.012 4.648 4.660 -0.000 0.000 0.304 35 W C 1.975 178.511 176.519 0.029 0.000 1.175 35 W CA 0.745 58.115 57.345 0.041 0.000 1.365 35 W CB -0.118 29.367 29.460 0.042 0.000 1.131 35 W HN -0.216 nan 8.180 nan 0.000 0.520 36 R N 0.240 120.827 120.500 0.145 0.000 2.154 36 R HA -0.234 4.106 4.340 -0.000 0.000 0.248 36 R C 2.300 178.491 176.300 -0.181 0.000 1.155 36 R CA 1.961 57.993 56.100 -0.113 0.000 0.979 36 R CB -0.538 29.830 30.300 0.113 0.000 0.869 36 R HN 0.267 nan 8.270 nan 0.000 0.452 37 R N 0.476 120.922 120.500 -0.091 0.000 2.057 37 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 37 R C 1.962 178.172 176.300 -0.150 0.000 1.136 37 R CA 1.291 57.337 56.100 -0.090 0.000 0.952 37 R CB -0.023 30.247 30.300 -0.051 0.000 0.848 37 R HN 0.021 nan 8.270 nan 0.000 0.430 38 M N 1.222 120.719 119.600 -0.173 0.000 2.530 38 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 38 M C 1.347 177.510 176.300 -0.227 0.000 1.067 38 M CA 1.315 56.511 55.300 -0.174 0.000 1.071 38 M CB -0.554 31.971 32.600 -0.124 0.000 1.405 38 M HN 0.234 nan 8.290 nan 0.000 0.478 39 Q N -0.115 119.484 119.800 -0.336 0.000 2.425 39 Q HA 0.278 4.618 4.340 -0.000 0.000 0.204 39 Q C 1.111 176.991 176.000 -0.200 0.000 0.933 39 Q CA 0.225 55.822 55.803 -0.342 0.000 0.939 39 Q CB 0.123 28.528 28.738 -0.555 0.000 1.044 39 Q HN 0.470 nan 8.270 nan 0.000 0.513 40 L N 1.886 123.018 121.223 -0.152 0.000 2.543 40 L HA 0.152 4.492 4.340 -0.000 0.000 0.231 40 L C 0.887 177.721 176.870 -0.059 0.000 1.194 40 L CA -0.702 54.086 54.840 -0.087 0.000 0.823 40 L CB 0.156 42.180 42.059 -0.058 0.000 1.374 40 L HN 0.136 nan 8.230 nan 0.000 0.507 41 N N -0.405 118.278 118.700 -0.028 0.000 2.482 41 N HA 0.044 4.784 4.740 -0.000 0.000 0.279 41 N C 0.396 175.920 175.510 0.023 0.000 1.182 41 N CA -0.517 52.527 53.050 -0.009 0.000 0.969 41 N CB 1.548 40.031 38.487 -0.007 0.000 1.201 41 N HN 0.586 nan 8.380 nan 0.000 0.523 42 E N 0.686 120.908 120.200 0.037 0.000 2.170 42 E HA -0.376 3.974 4.350 -0.000 0.000 0.229 42 E C 1.430 178.131 176.600 0.167 0.000 1.074 42 E CA 2.474 58.931 56.400 0.095 0.000 0.930 42 E CB -0.284 29.453 29.700 0.062 0.000 0.806 42 E HN 0.787 nan 8.360 nan 0.000 0.478 43 E N -0.253 119.985 120.200 0.063 0.000 1.998 43 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 43 E C 2.298 178.968 176.600 0.116 0.000 1.003 43 E CA 1.476 57.892 56.400 0.027 0.000 0.829 43 E CB -0.475 29.212 29.700 -0.022 0.000 0.777 43 E HN 0.410 nan 8.360 nan 0.000 0.460 44 L N 0.550 121.812 121.223 0.066 0.000 2.468 44 L HA -0.217 4.123 4.340 -0.000 0.000 0.225 44 L C 2.651 179.570 176.870 0.081 0.000 1.139 44 L CA 0.924 55.800 54.840 0.060 0.000 0.792 44 L CB -0.345 41.728 42.059 0.024 0.000 0.916 44 L HN 0.190 nan 8.230 nan 0.000 0.446 45 R N -1.546 119.023 120.500 0.114 0.000 2.200 45 R HA -0.048 4.292 4.340 -0.000 0.000 0.208 45 R C 2.004 178.344 176.300 0.066 0.000 1.033 45 R CA 0.564 56.689 56.100 0.042 0.000 1.000 45 R CB -0.029 30.246 30.300 -0.042 0.000 0.906 45 R HN 0.440 nan 8.270 nan 0.000 0.462 46 H N 0.340 119.439 119.070 0.048 0.000 2.384 46 H HA 0.020 4.576 4.556 -0.000 0.000 0.300 46 H C 1.903 177.283 175.328 0.087 0.000 1.057 46 H CA 0.829 56.929 56.048 0.087 0.000 1.370 46 H CB 0.150 29.941 29.762 0.048 0.000 1.417 46 H HN 0.035 nan 8.280 nan 0.000 0.527 47 E N 0.857 121.175 120.200 0.197 0.000 2.017 47 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 47 E C 0.626 177.284 176.600 0.096 0.000 0.997 47 E CA 0.507 56.973 56.400 0.111 0.000 0.804 47 E CB -0.725 29.018 29.700 0.072 0.000 0.757 47 E HN 0.118 nan 8.360 nan 0.000 0.448 48 V N 3.754 123.728 119.914 0.099 0.000 2.458 48 V HA -0.017 4.103 4.120 -0.000 0.000 0.287 48 V C 0.600 176.779 176.094 0.141 0.000 1.009 48 V CA 0.498 62.854 62.300 0.093 0.000 1.091 48 V CB -0.077 31.789 31.823 0.072 0.000 0.960 48 V HN 0.286 nan 8.190 nan 0.000 0.476 49 T N 4.559 119.169 114.554 0.093 0.000 2.949 49 T HA 0.632 4.982 4.350 -0.000 0.000 0.287 49 T C -2.703 172.050 174.700 0.089 0.000 1.034 49 T CA -2.247 59.894 62.100 0.068 0.000 1.018 49 T CB 1.633 70.491 68.868 -0.017 0.000 1.135 49 T HN 0.387 nan 8.240 nan 0.000 0.532 50 P HA 0.209 nan 4.420 nan 0.000 0.269 50 P C -0.546 176.808 177.300 0.089 0.000 1.209 50 P CA -0.467 62.697 63.100 0.108 0.000 0.776 50 P CB 0.304 32.076 31.700 0.121 0.000 0.876 51 K N 2.921 123.373 120.400 0.087 0.000 2.180 51 K HA 0.232 4.552 4.320 -0.000 0.000 0.250 51 K C -0.159 176.492 176.600 0.085 0.000 1.135 51 K CA -0.317 56.014 56.287 0.073 0.000 1.037 51 K CB -0.586 31.954 32.500 0.066 0.000 1.624 51 K HN 0.355 nan 8.250 nan 0.000 0.382 52 N N 2.188 120.945 118.700 0.094 0.000 2.454 52 N HA 0.095 4.835 4.740 -0.000 0.000 0.254 52 N C 0.308 175.867 175.510 0.082 0.000 1.228 52 N CA 0.246 53.367 53.050 0.118 0.000 0.900 52 N CB 0.870 39.441 38.487 0.139 0.000 1.089 52 N HN 0.334 nan 8.380 nan 0.000 0.449 53 I N 1.184 121.809 120.570 0.092 0.000 2.562 53 I HA 0.280 4.450 4.170 -0.000 0.000 0.301 53 I C -0.316 175.833 176.117 0.055 0.000 1.003 53 I CA -0.989 60.353 61.300 0.070 0.000 1.127 53 I CB 1.706 39.759 38.000 0.089 0.000 1.304 53 I HN 0.181 nan 8.210 nan 0.000 0.446 54 L N 6.749 127.992 121.223 0.034 0.000 2.324 54 L HA 0.508 4.848 4.340 -0.000 0.000 0.274 54 L C -0.717 176.179 176.870 0.045 0.000 1.012 54 L CA -0.208 54.648 54.840 0.026 0.000 0.859 54 L CB 0.943 42.992 42.059 -0.016 0.000 1.224 54 L HN 0.527 nan 8.230 nan 0.000 0.429 55 M N 6.018 125.667 119.600 0.081 0.000 2.162 55 M HA 0.395 4.875 4.480 -0.000 0.000 0.356 55 M C -0.742 175.650 176.300 0.154 0.000 1.303 55 M CA 0.251 55.621 55.300 0.116 0.000 1.116 55 M CB 0.798 33.497 32.600 0.165 0.000 1.632 55 M HN 0.459 nan 8.290 nan 0.000 0.469 56 I N 2.743 123.393 120.570 0.132 0.000 2.389 56 I HA 0.807 4.977 4.170 -0.000 0.000 0.288 56 I C 0.300 176.508 176.117 0.152 0.000 0.999 56 I CA -0.446 60.964 61.300 0.182 0.000 1.129 56 I CB 1.753 39.799 38.000 0.076 0.000 1.288 56 I HN 0.829 nan 8.210 nan 0.000 0.444 57 G N 6.513 115.414 108.800 0.168 0.000 2.377 57 G HA2 0.360 4.320 3.960 -0.000 0.000 0.297 57 G HA3 0.360 4.320 3.960 -0.000 0.000 0.297 57 G C -3.304 171.661 174.900 0.108 0.000 1.547 57 G CA -0.733 44.441 45.100 0.124 0.000 0.833 57 G HN 0.300 nan 8.290 nan 0.000 0.583 58 P HA 0.242 nan 4.420 nan 0.000 0.271 58 P C 0.777 178.117 177.300 0.066 0.000 1.244 58 P CA 0.212 63.349 63.100 0.062 0.000 0.793 58 P CB 0.452 32.181 31.700 0.048 0.000 0.984 59 T N -2.871 111.711 114.554 0.048 0.000 2.900 59 T HA 0.306 4.656 4.350 -0.000 0.000 0.307 59 T C 1.157 175.892 174.700 0.058 0.000 1.065 59 T CA 0.523 62.654 62.100 0.051 0.000 1.105 59 T CB -0.938 67.948 68.868 0.030 0.000 0.979 59 T HN 0.846 nan 8.240 nan 0.000 0.544 60 G N 1.439 110.276 108.800 0.061 0.000 2.341 60 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.292 60 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.292 60 G C 0.515 175.459 174.900 0.074 0.000 1.021 60 G CA 0.685 45.819 45.100 0.057 0.000 0.905 60 G HN 2.020 nan 8.290 nan 0.000 0.508 61 V N -3.854 116.113 119.914 0.089 0.000 3.528 61 V HA 0.705 4.825 4.120 -0.000 0.000 0.294 61 V C 1.509 177.659 176.094 0.093 0.000 1.404 61 V CA 0.968 63.330 62.300 0.104 0.000 1.065 61 V CB 0.252 32.141 31.823 0.110 0.000 0.904 61 V HN 2.076 nan 8.190 nan 0.000 0.435 62 G N 0.517 109.365 108.800 0.080 0.000 2.173 62 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.142 62 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.142 62 G C 0.633 175.576 174.900 0.072 0.000 1.019 62 G CA 0.222 45.362 45.100 0.066 0.000 0.699 62 G HN 0.420 nan 8.290 nan 0.000 0.495 63 K N 0.038 120.501 120.400 0.106 0.000 1.973 63 K HA -0.022 4.298 4.320 -0.000 0.000 0.210 63 K C 2.524 179.170 176.600 0.077 0.000 1.045 63 K CA 1.827 58.216 56.287 0.171 0.000 0.937 63 K CB -0.452 32.220 32.500 0.286 0.000 0.721 63 K HN 0.246 nan 8.250 nan 0.000 0.438 64 T N 1.809 116.307 114.554 -0.094 0.000 2.720 64 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 64 T C 1.723 176.263 174.700 -0.268 0.000 1.037 64 T CA 1.190 63.021 62.100 -0.448 0.000 1.144 64 T CB -0.161 68.468 68.868 -0.398 0.000 0.864 64 T HN 0.175 nan 8.240 nan 0.000 0.444 65 E N 0.927 121.043 120.200 -0.140 0.000 2.049 65 E HA -0.101 4.249 4.350 -0.000 0.000 0.198 65 E C 2.242 178.767 176.600 -0.125 0.000 1.007 65 E CA 0.978 57.303 56.400 -0.125 0.000 0.809 65 E CB -0.545 29.128 29.700 -0.046 0.000 0.749 65 E HN 0.510 nan 8.360 nan 0.000 0.450 66 I N 0.797 121.336 120.570 -0.051 0.000 2.118 66 I HA -0.342 3.828 4.170 -0.000 0.000 0.241 66 I C 2.450 178.533 176.117 -0.057 0.000 1.070 66 I CA 1.473 62.762 61.300 -0.018 0.000 1.327 66 I CB -0.402 37.627 38.000 0.048 0.000 1.034 66 I HN 0.045 nan 8.210 nan 0.000 0.405 67 A N 0.243 123.036 122.820 -0.044 0.000 1.933 67 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 67 A C 2.391 179.731 177.584 -0.406 0.000 1.175 67 A CA 1.688 53.710 52.037 -0.025 0.000 0.628 67 A CB -0.600 18.550 19.000 0.251 0.000 0.814 67 A HN 0.325 nan 8.150 nan 0.000 0.444 68 R N -0.996 119.113 120.500 -0.651 0.000 2.092 68 R HA -0.023 4.317 4.340 -0.000 0.000 0.231 68 R C 2.128 178.097 176.300 -0.551 0.000 1.119 68 R CA 0.985 56.502 56.100 -0.970 0.000 0.970 68 R CB -0.066 29.834 30.300 -0.667 0.000 0.864 68 R HN 0.310 nan 8.270 nan 0.000 0.440 69 R N 0.276 120.569 120.500 -0.346 0.000 2.236 69 R HA -0.019 4.321 4.340 -0.000 0.000 0.208 69 R C 2.056 178.253 176.300 -0.171 0.000 1.036 69 R CA 0.429 56.377 56.100 -0.255 0.000 1.001 69 R CB -0.357 29.830 30.300 -0.189 0.000 0.896 69 R HN 0.319 nan 8.270 nan 0.000 0.464 70 L N 0.378 121.509 121.223 -0.153 0.000 2.023 70 L HA -0.040 4.300 4.340 -0.000 0.000 0.205 70 L C 2.108 178.932 176.870 -0.076 0.000 1.073 70 L CA 1.518 56.315 54.840 -0.071 0.000 0.745 70 L CB -0.529 41.521 42.059 -0.016 0.000 0.900 70 L HN 0.114 nan 8.230 nan 0.000 0.435 71 A N -0.188 122.558 122.820 -0.123 0.000 1.902 71 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 71 A C 2.292 179.823 177.584 -0.088 0.000 1.181 71 A CA 1.810 53.808 52.037 -0.064 0.000 0.623 71 A CB -0.474 18.506 19.000 -0.033 0.000 0.818 71 A HN 0.398 nan 8.150 nan 0.000 0.443 72 K N -0.848 119.455 120.400 -0.162 0.000 2.442 72 K HA -0.026 4.294 4.320 -0.000 0.000 0.198 72 K C 1.428 177.971 176.600 -0.095 0.000 1.042 72 K CA 0.881 57.087 56.287 -0.135 0.000 0.958 72 K CB -0.132 32.252 32.500 -0.195 0.000 0.766 72 K HN 0.391 nan 8.250 nan 0.000 0.474 73 L N -0.749 120.425 121.223 -0.083 0.000 2.529 73 L HA 0.252 4.592 4.340 -0.000 0.000 0.223 73 L C 1.080 177.926 176.870 -0.040 0.000 1.113 73 L CA 0.754 55.563 54.840 -0.052 0.000 0.861 73 L CB 0.592 42.627 42.059 -0.039 0.000 1.012 73 L HN 0.046 nan 8.230 nan 0.000 0.461 74 A N -1.033 121.762 122.820 -0.042 0.000 2.571 74 A HA 0.217 4.537 4.320 -0.000 0.000 0.274 74 A C 0.847 178.391 177.584 -0.067 0.000 1.196 74 A CA 0.019 52.027 52.037 -0.049 0.000 0.957 74 A CB -0.492 18.486 19.000 -0.036 0.000 1.150 74 A HN 0.422 nan 8.150 nan 0.000 0.539 75 N N -0.336 118.339 118.700 -0.043 0.000 2.714 75 N HA -0.195 4.545 4.740 -0.000 0.000 0.252 75 N C 0.086 175.586 175.510 -0.018 0.000 1.014 75 N CA 0.597 53.632 53.050 -0.026 0.000 0.735 75 N CB -0.818 37.659 38.487 -0.017 0.000 0.924 75 N HN 0.757 nan 8.380 nan 0.000 0.540 76 A N 0.668 123.492 122.820 0.005 0.000 2.306 76 A HA 0.727 5.047 4.320 -0.000 0.000 0.330 76 A C -2.387 175.257 177.584 0.100 0.000 1.146 76 A CA -1.252 50.823 52.037 0.063 0.000 0.827 76 A CB 1.007 20.059 19.000 0.088 0.000 1.178 76 A HN 0.149 nan 8.150 nan 0.000 0.490 77 P HA 0.388 nan 4.420 nan 0.000 0.276 77 P C -1.199 176.199 177.300 0.164 0.000 1.230 77 P CA 0.306 63.471 63.100 0.109 0.000 0.776 77 P CB 0.281 32.022 31.700 0.067 0.000 0.888 78 F N 4.821 124.768 119.950 -0.006 0.000 2.539 78 F HA 0.649 5.176 4.527 -0.000 0.000 0.318 78 F C -1.336 174.467 175.800 0.005 0.000 1.135 78 F CA -1.017 56.979 58.000 -0.006 0.000 0.915 78 F CB 1.029 40.019 39.000 -0.016 0.000 1.176 78 F HN 0.136 nan 8.300 nan 0.000 0.440 79 I N 6.023 126.205 120.570 -0.647 0.000 2.608 79 I HA 0.451 4.621 4.170 -0.000 0.000 0.295 79 I C -1.644 174.106 176.117 -0.611 0.000 1.049 79 I CA -0.416 60.618 61.300 -0.442 0.000 1.063 79 I CB 1.681 39.570 38.000 -0.185 0.000 1.248 79 I HN 0.638 nan 8.210 nan 0.000 0.424 80 K N 7.711 127.940 120.400 -0.285 0.000 2.483 80 K HA 0.649 4.969 4.320 -0.000 0.000 0.256 80 K C -1.654 174.981 176.600 0.058 0.000 0.961 80 K CA -0.671 55.579 56.287 -0.060 0.000 0.873 80 K CB 1.273 33.794 32.500 0.036 0.000 1.107 80 K HN 0.532 nan 8.250 nan 0.000 0.432 81 V N 0.771 120.755 119.914 0.117 0.000 2.513 81 V HA 0.498 4.618 4.120 -0.000 0.000 0.299 81 V C -0.406 175.766 176.094 0.130 0.000 1.035 81 V CA -0.885 61.490 62.300 0.124 0.000 0.889 81 V CB 1.720 33.669 31.823 0.209 0.000 0.988 81 V HN 0.632 nan 8.190 nan 0.000 0.440 82 E N 3.107 123.339 120.200 0.053 0.000 2.052 82 E HA 0.387 4.737 4.350 -0.000 0.000 0.283 82 E C 1.268 177.878 176.600 0.017 0.000 1.071 82 E CA 0.287 56.703 56.400 0.027 0.000 0.851 82 E CB 1.514 31.200 29.700 -0.024 0.000 1.066 82 E HN 0.930 nan 8.360 nan 0.000 0.396 83 A N 3.696 126.568 122.820 0.087 0.000 1.940 83 A HA -0.280 4.040 4.320 -0.000 0.000 0.221 83 A C 2.123 179.779 177.584 0.119 0.000 1.190 83 A CA 2.641 54.776 52.037 0.164 0.000 0.647 83 A CB -0.916 18.131 19.000 0.080 0.000 0.821 83 A HN 0.638 nan 8.150 nan 0.000 0.457 84 T N -1.720 112.835 114.554 0.001 0.000 3.025 84 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 84 T C 1.628 176.259 174.700 -0.114 0.000 1.126 84 T CA 1.467 63.543 62.100 -0.039 0.000 1.105 84 T CB -0.292 68.541 68.868 -0.059 0.000 0.884 84 T HN 0.659 nan 8.240 nan 0.000 0.522 85 K N 1.046 121.293 120.400 -0.256 0.000 2.044 85 K HA -0.132 4.188 4.320 -0.000 0.000 0.210 85 K C 1.135 177.465 176.600 -0.449 0.000 1.049 85 K CA 1.557 57.567 56.287 -0.461 0.000 0.927 85 K CB -0.458 31.558 32.500 -0.807 0.000 0.713 85 K HN 0.462 nan 8.250 nan 0.000 0.443 86 F N 0.923 120.852 119.950 -0.035 0.000 2.816 86 F HA 0.035 4.562 4.527 -0.000 0.000 0.302 86 F C 1.941 177.710 175.800 -0.052 0.000 1.178 86 F CA 0.432 58.411 58.000 -0.036 0.000 1.421 86 F CB -0.386 38.596 39.000 -0.031 0.000 1.114 86 F HN 0.016 nan 8.300 nan 0.000 0.573 87 T N -0.540 114.029 114.554 0.026 0.000 2.701 87 T HA -0.167 4.183 4.350 -0.000 0.000 0.263 87 T C 1.678 176.323 174.700 -0.092 0.000 1.040 87 T CA 1.285 63.365 62.100 -0.032 0.000 1.147 87 T CB -0.202 68.621 68.868 -0.076 0.000 0.865 87 T HN 0.338 nan 8.240 nan 0.000 0.426 88 E N 1.244 121.377 120.200 -0.111 0.000 2.515 88 E HA -0.050 4.300 4.350 -0.000 0.000 0.201 88 E C 2.232 178.809 176.600 -0.039 0.000 1.071 88 E CA 0.325 56.639 56.400 -0.142 0.000 0.880 88 E CB -0.259 29.380 29.700 -0.100 0.000 0.828 88 E HN 0.498 nan 8.360 nan 0.000 0.540 89 V N -2.406 117.517 119.914 0.015 0.000 2.759 89 V HA -0.029 4.091 4.120 -0.000 0.000 0.256 89 V C 2.035 178.181 176.094 0.086 0.000 1.080 89 V CA 1.693 64.037 62.300 0.072 0.000 1.101 89 V CB -0.834 31.058 31.823 0.116 0.000 0.698 89 V HN 0.195 nan 8.190 nan 0.000 0.477 90 G N -1.161 107.672 108.800 0.055 0.000 2.470 90 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 90 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 90 G C 1.368 176.480 174.900 0.354 0.000 1.121 90 G CA 1.257 46.431 45.100 0.123 0.000 0.766 90 G HN 0.669 nan 8.290 nan 0.000 0.553 91 Y N -1.119 119.189 120.300 0.013 0.000 2.558 91 Y HA 0.330 4.880 4.550 -0.000 0.000 0.273 91 Y C 0.161 176.066 175.900 0.009 0.000 1.100 91 Y CA 0.075 58.180 58.100 0.008 0.000 1.276 91 Y CB 1.489 39.951 38.460 0.004 0.000 1.196 91 Y HN 0.097 nan 8.280 nan 0.000 0.527 92 V N -1.663 118.357 119.914 0.177 0.000 2.811 92 V HA 0.576 4.696 4.120 -0.000 0.000 0.239 92 V C -0.774 175.364 176.094 0.073 0.000 1.865 92 V CA -0.824 61.536 62.300 0.101 0.000 0.797 92 V CB 0.209 32.080 31.823 0.081 0.000 1.267 92 V HN 0.202 nan 8.190 nan 0.000 0.519 93 G N 1.978 110.819 108.800 0.068 0.000 2.608 93 G HA2 0.657 4.617 3.960 -0.000 0.000 0.291 93 G HA3 0.657 4.617 3.960 -0.000 0.000 0.291 93 G C -1.318 173.636 174.900 0.089 0.000 1.425 93 G CA -1.056 44.079 45.100 0.059 0.000 0.787 93 G HN 0.960 nan 8.290 nan 0.000 0.484 94 K N 0.654 121.106 120.400 0.087 0.000 2.489 94 K HA 0.286 4.606 4.320 -0.000 0.000 0.278 94 K C 0.395 177.162 176.600 0.279 0.000 1.000 94 K CA 0.139 56.513 56.287 0.145 0.000 1.012 94 K CB 0.285 32.843 32.500 0.096 0.000 0.903 94 K HN 0.471 nan 8.250 nan 0.000 0.485 95 E N 1.775 122.082 120.200 0.178 0.000 2.392 95 E HA 0.011 4.361 4.350 -0.000 0.000 0.259 95 E C 0.738 177.382 176.600 0.074 0.000 1.108 95 E CA -0.256 56.208 56.400 0.107 0.000 0.916 95 E CB 0.403 30.128 29.700 0.043 0.000 0.989 95 E HN 0.264 nan 8.360 nan 0.000 0.432 96 V N 1.487 121.297 119.914 -0.174 0.000 3.041 96 V HA -0.162 3.958 4.120 -0.000 0.000 0.260 96 V C 0.870 176.832 176.094 -0.221 0.000 1.105 96 V CA 1.369 63.364 62.300 -0.509 0.000 1.125 96 V CB -0.497 30.964 31.823 -0.603 0.000 0.730 96 V HN 0.583 nan 8.190 nan 0.000 0.479 97 D N 0.869 121.210 120.400 -0.097 0.000 2.218 97 D HA -0.145 4.495 4.640 -0.000 0.000 0.204 97 D C 2.386 178.681 176.300 -0.008 0.000 0.976 97 D CA 1.584 55.556 54.000 -0.047 0.000 0.853 97 D CB -0.249 40.535 40.800 -0.028 0.000 0.939 97 D HN 0.621 nan 8.370 nan 0.000 0.481 98 S N 1.101 116.821 115.700 0.033 0.000 2.392 98 S HA -0.225 4.245 4.470 -0.000 0.000 0.232 98 S C 2.193 176.835 174.600 0.070 0.000 1.041 98 S CA 0.761 59.005 58.200 0.073 0.000 1.026 98 S CB -0.828 62.467 63.200 0.157 0.000 0.845 98 S HN 0.309 nan 8.310 nan 0.000 0.465 99 I N 1.198 121.815 120.570 0.079 0.000 2.163 99 I HA -0.152 4.018 4.170 -0.000 0.000 0.243 99 I C 2.104 178.237 176.117 0.026 0.000 1.085 99 I CA 1.253 62.599 61.300 0.075 0.000 1.347 99 I CB -0.415 37.626 38.000 0.069 0.000 1.044 99 I HN 0.318 nan 8.210 nan 0.000 0.408 100 I N 0.341 120.918 120.570 0.012 0.000 2.761 100 I HA -0.115 4.055 4.170 -0.000 0.000 0.261 100 I C 2.509 178.608 176.117 -0.030 0.000 1.198 100 I CA 1.164 62.461 61.300 -0.006 0.000 1.482 100 I CB -1.184 36.817 38.000 0.002 0.000 1.100 100 I HN 0.259 nan 8.210 nan 0.000 0.445 101 R N 0.709 121.190 120.500 -0.031 0.000 2.057 101 R HA -0.106 4.233 4.340 -0.000 0.000 0.229 101 R C 1.783 178.037 176.300 -0.076 0.000 1.136 101 R CA 1.241 57.301 56.100 -0.067 0.000 0.952 101 R CB -0.222 30.050 30.300 -0.048 0.000 0.848 101 R HN 0.280 nan 8.270 nan 0.000 0.430 102 D N 1.238 121.619 120.400 -0.032 0.000 2.144 102 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 102 D C 1.902 178.186 176.300 -0.027 0.000 0.984 102 D CA 0.727 54.714 54.000 -0.022 0.000 0.834 102 D CB -0.173 40.631 40.800 0.006 0.000 0.955 102 D HN 0.127 nan 8.370 nan 0.000 0.465 103 L N 0.636 121.840 121.223 -0.032 0.000 2.042 103 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 103 L C 2.148 179.001 176.870 -0.028 0.000 1.076 103 L CA 1.315 56.133 54.840 -0.037 0.000 0.749 103 L CB -0.290 41.738 42.059 -0.052 0.000 0.893 103 L HN 0.034 nan 8.230 nan 0.000 0.432 104 T N -0.683 113.841 114.554 -0.051 0.000 2.777 104 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 104 T C 1.354 176.019 174.700 -0.057 0.000 1.040 104 T CA 1.446 63.507 62.100 -0.064 0.000 1.141 104 T CB -0.192 68.597 68.868 -0.133 0.000 0.868 104 T HN 0.381 nan 8.240 nan 0.000 0.444 105 D N 1.285 121.632 120.400 -0.088 0.000 2.144 105 D HA 0.046 4.686 4.640 -0.000 0.000 0.200 105 D C 2.156 178.487 176.300 0.051 0.000 0.978 105 D CA 0.996 54.989 54.000 -0.012 0.000 0.833 105 D CB -0.286 40.499 40.800 -0.025 0.000 0.961 105 D HN 0.411 nan 8.370 nan 0.000 0.470 106 A N 0.373 123.211 122.820 0.030 0.000 2.072 106 A HA 0.255 4.575 4.320 -0.000 0.000 0.216 106 A C 2.106 179.722 177.584 0.053 0.000 1.156 106 A CA 1.151 53.214 52.037 0.044 0.000 0.701 106 A CB -0.133 18.890 19.000 0.039 0.000 0.816 106 A HN 0.182 nan 8.150 nan 0.000 0.458 107 A N -0.905 121.944 122.820 0.050 0.000 2.169 107 A HA 0.299 4.619 4.320 -0.000 0.000 0.212 107 A C 1.917 179.547 177.584 0.076 0.000 1.153 107 A CA 1.197 53.269 52.037 0.059 0.000 0.756 107 A CB -0.239 18.789 19.000 0.047 0.000 0.813 107 A HN 0.266 nan 8.150 nan 0.000 0.471 108 V N -0.338 119.634 119.914 0.096 0.000 2.436 108 V HA -0.071 4.049 4.120 -0.000 0.000 0.240 108 V C 2.285 178.428 176.094 0.082 0.000 1.040 108 V CA 1.906 64.279 62.300 0.121 0.000 1.052 108 V CB -0.157 31.807 31.823 0.235 0.000 0.707 108 V HN 0.579 nan 8.190 nan 0.000 0.469 109 K N -0.140 120.308 120.400 0.079 0.000 2.520 109 K HA -0.140 4.180 4.320 -0.000 0.000 0.197 109 K C 1.761 178.388 176.600 0.044 0.000 1.043 109 K CA 1.557 57.878 56.287 0.055 0.000 0.944 109 K CB -0.181 32.351 32.500 0.052 0.000 0.770 109 K HN 0.472 nan 8.250 nan 0.000 0.480 110 M N -0.906 118.724 119.600 0.050 0.000 2.544 110 M HA -0.043 4.437 4.480 -0.000 0.000 0.251 110 M C 1.691 178.016 176.300 0.042 0.000 1.189 110 M CA 0.891 56.218 55.300 0.044 0.000 1.218 110 M CB 0.207 32.837 32.600 0.050 0.000 1.259 110 M HN 0.039 nan 8.290 nan 0.000 0.495 111 V N -0.911 119.033 119.914 0.050 0.000 2.688 111 V HA -0.197 3.923 4.120 -0.000 0.000 0.256 111 V C 2.111 178.227 176.094 0.037 0.000 1.084 111 V CA 2.152 64.480 62.300 0.047 0.000 1.103 111 V CB -1.393 30.464 31.823 0.057 0.000 0.688 111 V HN 0.583 nan 8.190 nan 0.000 0.480 112 R N -0.015 120.506 120.500 0.035 0.000 2.100 112 R HA 0.037 4.377 4.340 -0.000 0.000 0.220 112 R C 2.121 178.434 176.300 0.021 0.000 1.091 112 R CA 1.367 57.481 56.100 0.025 0.000 0.986 112 R CB -0.117 30.196 30.300 0.022 0.000 0.888 112 R HN 0.443 nan 8.270 nan 0.000 0.444 113 V N 1.251 121.179 119.914 0.023 0.000 2.379 113 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 113 V C 1.734 177.839 176.094 0.019 0.000 1.044 113 V CA 1.582 63.893 62.300 0.019 0.000 1.036 113 V CB -0.291 31.543 31.823 0.018 0.000 0.664 113 V HN 0.407 nan 8.190 nan 0.000 0.453 114 Q N -0.542 119.271 119.800 0.021 0.000 2.431 114 Q HA 0.145 4.485 4.340 -0.000 0.000 0.210 114 Q C 1.829 177.841 176.000 0.020 0.000 0.958 114 Q CA 0.680 56.495 55.803 0.019 0.000 0.957 114 Q CB 0.012 28.762 28.738 0.020 0.000 1.007 114 Q HN 0.673 nan 8.270 nan 0.000 0.511 115 A N 0.186 123.018 122.820 0.021 0.000 2.035 115 A HA 0.035 4.355 4.320 -0.000 0.000 0.208 115 A C 1.678 179.275 177.584 0.021 0.000 1.206 115 A CA 0.078 52.127 52.037 0.020 0.000 0.773 115 A CB 0.277 19.288 19.000 0.019 0.000 0.878 115 A HN 0.223 nan 8.150 nan 0.000 0.469 116 I N 0.491 121.073 120.570 0.020 0.000 3.001 116 I HA -0.101 4.069 4.170 -0.000 0.000 0.268 116 I C 1.969 178.103 176.117 0.028 0.000 1.267 116 I CA 1.222 62.535 61.300 0.020 0.000 1.472 116 I CB -0.997 37.013 38.000 0.016 0.000 1.089 116 I HN 0.304 nan 8.210 nan 0.000 0.468 117 E N 1.359 121.576 120.200 0.028 0.000 2.021 117 E HA -0.102 4.248 4.350 -0.000 0.000 0.189 117 E C 2.146 178.776 176.600 0.050 0.000 0.980 117 E CA 1.138 57.560 56.400 0.036 0.000 0.803 117 E CB -0.032 29.683 29.700 0.025 0.000 0.766 117 E HN 0.328 nan 8.360 nan 0.000 0.449 118 K N 0.268 120.691 120.400 0.037 0.000 2.148 118 K HA -0.006 4.314 4.320 -0.000 0.000 0.204 118 K C 0.297 176.934 176.600 0.060 0.000 1.050 118 K CA 0.911 57.221 56.287 0.039 0.000 0.942 118 K CB -0.161 32.350 32.500 0.019 0.000 0.724 118 K HN 0.118 nan 8.250 nan 0.000 0.446 119 N N 1.089 119.818 118.700 0.049 0.000 3.131 119 N HA 0.113 4.853 4.740 -0.000 0.000 0.312 119 N C 0.413 175.951 175.510 0.046 0.000 1.433 119 N CA -0.120 52.958 53.050 0.047 0.000 1.141 119 N CB 0.610 39.115 38.487 0.029 0.000 1.431 119 N HN 0.104 nan 8.380 nan 0.000 0.523 120 R N -0.660 119.883 120.500 0.072 0.000 2.637 120 R HA 0.094 4.434 4.340 -0.000 0.000 0.262 120 R C 0.379 176.710 176.300 0.053 0.000 0.959 120 R CA -0.092 56.039 56.100 0.051 0.000 1.061 120 R CB 0.260 30.592 30.300 0.054 0.000 1.610 120 R HN 0.225 nan 8.270 nan 0.000 0.548 121 Y N 0.518 120.818 120.300 -0.001 0.000 2.296 121 Y HA 0.247 4.797 4.550 -0.000 0.000 0.271 121 Y C 1.715 177.614 175.900 -0.001 0.000 1.102 121 Y CA 0.718 58.818 58.100 -0.001 0.000 1.147 121 Y CB 0.285 38.744 38.460 -0.001 0.000 1.070 121 Y HN -0.240 nan 8.280 nan 0.000 0.495 122 R N 0.730 121.391 120.500 0.269 0.000 2.341 122 R HA -0.087 4.253 4.340 -0.000 0.000 0.213 122 R C 1.736 178.075 176.300 0.064 0.000 1.082 122 R CA 0.782 56.970 56.100 0.147 0.000 1.017 122 R CB -0.500 29.870 30.300 0.117 0.000 0.860 122 R HN 0.429 nan 8.270 nan 0.000 0.473 123 A N 1.597 124.446 122.820 0.048 0.000 1.970 123 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 123 A C 1.553 179.132 177.584 -0.008 0.000 1.170 123 A CA 0.931 52.979 52.037 0.018 0.000 0.645 123 A CB 0.038 19.049 19.000 0.018 0.000 0.816 123 A HN 0.458 nan 8.150 nan 0.000 0.447 124 E N -0.772 119.406 120.200 -0.036 0.000 2.569 124 E HA 0.219 4.568 4.350 -0.000 0.000 0.205 124 E C 0.895 177.450 176.600 -0.075 0.000 1.006 124 E CA 0.303 56.668 56.400 -0.058 0.000 0.985 124 E CB 0.151 29.804 29.700 -0.078 0.000 1.060 124 E HN 0.659 nan 8.360 nan 0.000 0.460 125 E N 0.389 120.560 120.200 -0.050 0.000 2.330 125 E HA 0.036 4.386 4.350 -0.000 0.000 0.200 125 E C 1.306 177.901 176.600 -0.009 0.000 0.922 125 E CA 0.033 56.412 56.400 -0.035 0.000 0.935 125 E CB 0.403 30.109 29.700 0.011 0.000 0.917 125 E HN 0.188 nan 8.360 nan 0.000 0.491 126 L N 0.484 121.706 121.223 -0.002 0.000 2.554 126 L HA 0.311 4.651 4.340 -0.000 0.000 0.225 126 L C 2.073 178.937 176.870 -0.010 0.000 1.104 126 L CA 0.874 55.713 54.840 -0.001 0.000 0.866 126 L CB -0.357 41.705 42.059 0.005 0.000 1.047 126 L HN 0.179 nan 8.230 nan 0.000 0.468 127 A N -0.446 122.365 122.820 -0.015 0.000 2.119 127 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 127 A C 2.116 179.688 177.584 -0.020 0.000 1.152 127 A CA 0.643 52.669 52.037 -0.018 0.000 0.708 127 A CB -0.029 18.959 19.000 -0.021 0.000 0.805 127 A HN 0.394 nan 8.150 nan 0.000 0.460 128 E N 0.005 120.192 120.200 -0.021 0.000 2.033 128 E HA -0.141 4.209 4.350 -0.000 0.000 0.189 128 E C 1.706 178.295 176.600 -0.019 0.000 0.979 128 E CA 0.921 57.311 56.400 -0.017 0.000 0.802 128 E CB -0.228 29.462 29.700 -0.015 0.000 0.763 128 E HN 0.681 nan 8.360 nan 0.000 0.449 129 E N 0.802 120.990 120.200 -0.020 0.000 2.197 129 E HA -0.301 4.049 4.350 -0.000 0.000 0.205 129 E C 2.084 178.663 176.600 -0.035 0.000 1.029 129 E CA 1.230 57.613 56.400 -0.028 0.000 0.828 129 E CB -0.135 29.552 29.700 -0.023 0.000 0.737 129 E HN 0.031 nan 8.360 nan 0.000 0.464 130 R N 0.421 120.904 120.500 -0.029 0.000 2.075 130 R HA -0.142 4.197 4.340 -0.000 0.000 0.230 130 R C 2.300 178.580 176.300 -0.034 0.000 1.140 130 R CA 1.293 57.375 56.100 -0.030 0.000 0.928 130 R CB -0.447 29.839 30.300 -0.023 0.000 0.834 130 R HN 0.140 nan 8.270 nan 0.000 0.429 131 I N 0.531 121.086 120.570 -0.027 0.000 2.361 131 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 131 I C 1.579 177.671 176.117 -0.042 0.000 1.133 131 I CA 1.421 62.707 61.300 -0.023 0.000 1.413 131 I CB -0.116 37.881 38.000 -0.005 0.000 1.073 131 I HN 0.247 nan 8.210 nan 0.000 0.424 132 L N -0.242 120.948 121.223 -0.055 0.000 2.109 132 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 132 L C 1.564 178.341 176.870 -0.155 0.000 1.086 132 L CA 0.991 55.764 54.840 -0.110 0.000 0.760 132 L CB -0.796 41.214 42.059 -0.083 0.000 0.910 132 L HN 0.147 nan 8.230 nan 0.000 0.437 133 D N -0.682 119.655 120.400 -0.106 0.000 2.403 133 D HA -0.108 4.532 4.640 -0.000 0.000 0.227 133 D C 1.422 177.659 176.300 -0.105 0.000 0.995 133 D CA 0.708 54.645 54.000 -0.104 0.000 0.928 133 D CB 0.310 41.065 40.800 -0.074 0.000 0.887 133 D HN 0.104 nan 8.370 nan 0.000 0.529 134 V N -0.185 119.664 119.914 -0.108 0.000 3.252 134 V HA 0.191 4.311 4.120 -0.000 0.000 0.320 134 V C 0.861 176.888 176.094 -0.112 0.000 1.459 134 V CA 0.070 62.317 62.300 -0.088 0.000 1.095 134 V CB 0.114 31.906 31.823 -0.052 0.000 0.997 134 V HN 0.079 nan 8.190 nan 0.000 0.469 135 L N 0.000 121.095 121.223 -0.213 0.000 2.878 135 L HA 0.489 4.829 4.340 -0.000 0.000 0.253 135 L C 0.100 176.603 176.870 -0.612 0.000 1.135 135 L CA 0.226 54.856 54.840 -0.350 0.000 0.943 135 L CB 1.186 43.001 42.059 -0.406 0.000 1.307 135 L HN 0.125 nan 8.230 nan 0.000 0.545 136 I N 0.667 120.973 120.570 -0.439 0.000 2.816 136 I HA 0.192 4.362 4.170 -0.000 0.000 0.279 136 I C -2.550 173.447 176.117 -0.200 0.000 1.662 136 I CA -1.232 59.859 61.300 -0.348 0.000 0.785 136 I CB 0.893 38.633 38.000 -0.433 0.000 1.738 136 I HN -0.204 nan 8.210 nan 0.000 0.561 137 P HA 0.087 nan 4.420 nan 0.000 0.255 137 P C -2.133 175.105 177.300 -0.104 0.000 1.173 137 P CA -0.246 62.788 63.100 -0.109 0.000 0.780 137 P CB -0.139 31.511 31.700 -0.083 0.000 0.758 138 P HA -0.018 nan 4.420 nan 0.000 0.267 138 P C -0.046 177.174 177.300 -0.134 0.000 1.195 138 P CA 0.192 63.224 63.100 -0.113 0.000 0.773 138 P CB 0.404 32.037 31.700 -0.111 0.000 0.837 139 A N 2.325 125.042 122.820 -0.172 0.000 2.536 139 A HA 0.027 4.347 4.320 -0.000 0.000 0.234 139 A C 0.072 177.489 177.584 -0.279 0.000 1.076 139 A CA 0.212 52.103 52.037 -0.243 0.000 0.769 139 A CB -0.200 18.553 19.000 -0.412 0.000 1.020 139 A HN 0.404 nan 8.150 nan 0.000 0.508 140 K N 2.912 123.163 120.400 -0.248 0.000 2.166 140 K HA 0.190 4.510 4.320 -0.000 0.000 0.273 140 K C -0.493 175.923 176.600 -0.306 0.000 1.095 140 K CA 0.428 56.593 56.287 -0.202 0.000 0.985 140 K CB -0.491 31.939 32.500 -0.115 0.000 1.172 140 K HN 0.625 nan 8.250 nan 0.000 0.401 141 N N 2.658 121.172 118.700 -0.310 0.000 2.593 141 N HA -0.144 4.596 4.740 -0.000 0.000 0.269 141 N C -0.927 174.206 175.510 -0.627 0.000 1.356 141 N CA 0.040 52.879 53.050 -0.352 0.000 0.884 141 N CB -0.556 37.769 38.487 -0.272 0.000 0.913 141 N HN 0.854 nan 8.380 nan 0.000 0.497 142 N N 1.169 119.609 118.700 -0.433 0.000 2.381 142 N HA 0.022 4.762 4.740 -0.000 0.000 0.241 142 N C -0.445 174.831 175.510 -0.390 0.000 1.279 142 N CA 0.435 53.232 53.050 -0.422 0.000 0.896 142 N CB 0.681 39.057 38.487 -0.184 0.000 1.118 142 N HN 0.422 nan 8.380 nan 0.000 0.438 143 W N 0.298 121.595 121.300 -0.005 0.000 2.295 143 W HA 0.323 4.983 4.660 -0.000 0.000 0.333 143 W C 0.573 177.091 176.519 -0.002 0.000 0.990 143 W CA -1.126 56.217 57.345 -0.003 0.000 1.453 143 W CB 0.553 30.011 29.460 -0.002 0.000 1.263 143 W HN 0.683 nan 8.180 nan 0.000 0.380 144 G N 3.740 112.645 108.800 0.174 0.000 2.452 144 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.290 144 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.290 144 G C 0.621 175.581 174.900 0.099 0.000 0.717 144 G CA 0.337 45.500 45.100 0.105 0.000 1.967 144 G HN 0.419 nan 8.290 nan 0.000 0.471 145 Q N 0.787 120.645 119.800 0.096 0.000 2.103 145 Q HA 0.030 4.370 4.340 -0.000 0.000 0.219 145 Q C 1.582 177.614 176.000 0.053 0.000 0.784 145 Q CA 0.705 56.550 55.803 0.071 0.000 1.014 145 Q CB 0.125 28.911 28.738 0.079 0.000 1.183 145 Q HN 1.074 nan 8.270 nan 0.000 0.469 146 T N -1.734 112.850 114.554 0.050 0.000 4.526 146 T HA -0.313 4.037 4.350 -0.000 0.000 0.332 146 T C 0.678 175.400 174.700 0.036 0.000 0.846 146 T CA 2.281 64.403 62.100 0.036 0.000 1.955 146 T CB -1.128 67.757 68.868 0.028 0.000 2.056 146 T HN 0.566 nan 8.240 nan 0.000 0.866 147 E N -1.693 118.534 120.200 0.045 0.000 2.626 147 E HA 0.081 4.431 4.350 -0.000 0.000 0.194 147 E C 1.533 178.167 176.600 0.057 0.000 0.950 147 E CA -0.247 56.178 56.400 0.043 0.000 1.583 147 E CB -0.060 29.661 29.700 0.035 0.000 1.881 147 E HN 0.300 nan 8.360 nan 0.000 0.979 148 Q N 0.689 120.536 119.800 0.079 0.000 2.436 148 Q HA -0.073 4.267 4.340 -0.000 0.000 0.209 148 Q C 1.492 177.564 176.000 0.120 0.000 0.965 148 Q CA 1.098 56.971 55.803 0.118 0.000 0.910 148 Q CB 0.450 29.295 28.738 0.178 0.000 0.980 148 Q HN 0.379 nan 8.270 nan 0.000 0.491 149 Q N -0.104 119.742 119.800 0.077 0.000 2.324 149 Q HA -0.098 4.242 4.340 -0.000 0.000 0.207 149 Q C 1.110 177.130 176.000 0.034 0.000 0.928 149 Q CA 0.439 56.269 55.803 0.044 0.000 0.890 149 Q CB 0.403 29.153 28.738 0.020 0.000 1.001 149 Q HN 0.239 nan 8.270 nan 0.000 0.517 150 Q N -0.101 119.721 119.800 0.037 0.000 2.387 150 Q HA 0.001 4.341 4.340 -0.000 0.000 0.211 150 Q C 0.775 176.798 176.000 0.038 0.000 0.952 150 Q CA 0.399 56.221 55.803 0.032 0.000 0.957 150 Q CB 0.287 29.043 28.738 0.030 0.000 1.002 150 Q HN 0.231 nan 8.270 nan 0.000 0.502 151 E N 1.133 121.362 120.200 0.047 0.000 2.028 151 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 151 E C -0.646 175.983 176.600 0.049 0.000 0.988 151 E CA 1.206 57.638 56.400 0.053 0.000 0.799 151 E CB -1.381 28.362 29.700 0.071 0.000 0.755 151 E HN 0.384 nan 8.360 nan 0.000 0.447 152 P HA -0.087 nan 4.420 nan 0.000 0.216 152 P C 0.545 177.880 177.300 0.059 0.000 1.153 152 P CA 1.201 64.333 63.100 0.053 0.000 0.858 152 P CB -0.207 31.515 31.700 0.036 0.000 0.789 153 S N -1.244 114.485 115.700 0.048 0.000 3.316 153 S HA -0.060 4.410 4.470 -0.000 0.000 0.145 153 S C 1.087 175.717 174.600 0.051 0.000 0.431 153 S CA 0.799 59.028 58.200 0.047 0.000 1.380 153 S CB -1.260 61.962 63.200 0.037 0.000 0.714 153 S HN 0.320 nan 8.310 nan 0.000 0.276 154 A N 0.574 123.432 122.820 0.065 0.000 1.702 154 A HA 0.749 5.069 4.320 -0.000 0.000 0.151 154 A C 1.697 179.340 177.584 0.098 0.000 1.611 154 A CA 0.411 52.488 52.037 0.065 0.000 1.414 154 A CB -0.991 18.043 19.000 0.056 0.000 1.183 154 A HN 0.541 nan 8.150 nan 0.000 0.917 155 A N 0.206 123.101 122.820 0.125 0.000 1.841 155 A HA -0.060 4.260 4.320 -0.000 0.000 0.214 155 A C 2.080 179.867 177.584 0.339 0.000 1.195 155 A CA 2.357 54.530 52.037 0.226 0.000 0.611 155 A CB -0.643 18.481 19.000 0.207 0.000 0.835 155 A HN 0.489 nan 8.150 nan 0.000 0.443 156 R N -0.404 120.208 120.500 0.188 0.000 2.136 156 R HA -0.211 4.129 4.340 -0.000 0.000 0.242 156 R C 2.411 178.831 176.300 0.200 0.000 1.131 156 R CA 2.323 58.509 56.100 0.144 0.000 0.937 156 R CB -0.591 29.738 30.300 0.048 0.000 0.863 156 R HN 0.584 nan 8.270 nan 0.000 0.435 157 Q N -0.451 119.428 119.800 0.132 0.000 2.096 157 Q HA -0.215 4.125 4.340 -0.000 0.000 0.208 157 Q C 2.107 178.164 176.000 0.096 0.000 0.993 157 Q CA 2.106 57.965 55.803 0.094 0.000 0.862 157 Q CB -0.620 28.155 28.738 0.061 0.000 0.915 157 Q HN 0.515 nan 8.270 nan 0.000 0.416 158 A N 0.174 123.051 122.820 0.095 0.000 1.908 158 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 158 A C 1.914 179.457 177.584 -0.069 0.000 1.181 158 A CA 1.555 53.579 52.037 -0.022 0.000 0.627 158 A CB -0.866 18.066 19.000 -0.114 0.000 0.818 158 A HN 0.307 nan 8.150 nan 0.000 0.445 159 F N -0.735 119.213 119.950 -0.003 0.000 2.206 159 F HA -0.009 4.518 4.527 -0.000 0.000 0.298 159 F C 2.526 178.321 175.800 -0.008 0.000 1.090 159 F CA 1.431 59.428 58.000 -0.006 0.000 1.323 159 F CB -0.332 38.664 39.000 -0.006 0.000 1.028 159 F HN 0.080 nan 8.300 nan 0.000 0.492 160 R N 0.362 120.973 120.500 0.184 0.000 2.075 160 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 160 R C 2.269 178.597 176.300 0.047 0.000 1.126 160 R CA 1.338 57.493 56.100 0.093 0.000 0.963 160 R CB -0.226 30.116 30.300 0.070 0.000 0.858 160 R HN 0.172 nan 8.270 nan 0.000 0.435 161 K N 0.791 121.211 120.400 0.033 0.000 2.217 161 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 161 K C 1.199 177.792 176.600 -0.012 0.000 1.051 161 K CA 1.268 57.558 56.287 0.005 0.000 0.952 161 K CB 0.237 32.735 32.500 -0.002 0.000 0.736 161 K HN -0.004 nan 8.250 nan 0.000 0.453 162 K N 0.216 120.601 120.400 -0.025 0.000 2.444 162 K HA 0.009 4.329 4.320 -0.000 0.000 0.193 162 K C 0.943 177.534 176.600 -0.014 0.000 1.024 162 K CA 0.031 56.290 56.287 -0.046 0.000 1.077 162 K CB 0.340 32.771 32.500 -0.115 0.000 0.833 162 K HN 0.056 nan 8.250 nan 0.000 0.517 163 L N 0.407 121.637 121.223 0.013 0.000 2.728 163 L HA 0.164 4.504 4.340 -0.000 0.000 0.238 163 L C 1.060 177.933 176.870 0.004 0.000 1.143 163 L CA 0.494 55.347 54.840 0.022 0.000 0.937 163 L CB 0.173 42.261 42.059 0.048 0.000 1.225 163 L HN -0.121 nan 8.230 nan 0.000 0.507 164 R N 0.365 120.863 120.500 -0.003 0.000 2.313 164 R HA 0.101 4.441 4.340 -0.000 0.000 0.199 164 R C 0.613 176.905 176.300 -0.013 0.000 0.958 164 R CA 0.857 56.951 56.100 -0.010 0.000 1.047 164 R CB 0.249 30.544 30.300 -0.010 0.000 0.955 164 R HN 0.659 nan 8.270 nan 0.000 0.481 165 E N -2.727 117.467 120.200 -0.011 0.000 1.920 165 E HA -0.053 4.297 4.350 -0.000 0.000 0.250 165 E C 0.722 177.315 176.600 -0.011 0.000 1.075 165 E CA 0.402 56.794 56.400 -0.012 0.000 1.683 165 E CB -0.758 28.934 29.700 -0.013 0.000 3.768 165 E HN 0.043 nan 8.360 nan 0.000 0.959 166 G N 2.995 111.787 108.800 -0.014 0.000 2.916 166 G HA2 0.322 4.282 3.960 -0.000 0.000 0.280 166 G HA3 0.322 4.282 3.960 -0.000 0.000 0.280 166 G C 0.189 175.084 174.900 -0.008 0.000 0.758 166 G CA 0.508 45.599 45.100 -0.015 0.000 1.993 166 G HN 0.273 nan 8.290 nan 0.000 0.564 167 Q N 1.057 120.855 119.800 -0.003 0.000 3.081 167 Q HA 0.607 4.947 4.340 -0.000 0.000 0.204 167 Q C 1.384 177.386 176.000 0.004 0.000 1.168 167 Q CA -0.772 55.034 55.803 0.006 0.000 0.349 167 Q CB 0.263 29.004 28.738 0.006 0.000 5.722 167 Q HN 0.227 nan 8.270 nan 0.000 0.302 168 L N 0.134 121.359 121.223 0.004 0.000 4.813 168 L HA -0.258 4.082 4.340 -0.000 0.000 0.434 168 L C -1.113 175.760 176.870 0.005 0.000 1.106 168 L CA 0.921 55.762 54.840 0.002 0.000 0.991 168 L CB -2.124 39.934 42.059 -0.001 0.000 2.005 168 L HN 0.705 nan 8.230 nan 0.000 0.817 169 D N 0.504 120.910 120.400 0.010 0.000 2.295 169 D HA 0.402 5.042 4.640 -0.000 0.000 0.248 169 D C 0.357 176.666 176.300 0.015 0.000 1.154 169 D CA -0.561 53.448 54.000 0.014 0.000 0.857 169 D CB 0.647 41.460 40.800 0.022 0.000 1.117 169 D HN 0.170 nan 8.370 nan 0.000 0.468 170 D N 1.897 122.304 120.400 0.011 0.000 2.429 170 D HA 0.080 4.720 4.640 -0.000 0.000 0.233 170 D C 0.241 176.548 176.300 0.012 0.000 1.202 170 D CA 0.126 54.131 54.000 0.009 0.000 0.879 170 D CB 1.011 41.815 40.800 0.007 0.000 1.212 170 D HN 0.281 nan 8.370 nan 0.000 0.465 171 K N -0.518 119.886 120.400 0.008 0.000 1.994 171 K HA 0.394 4.714 4.320 -0.000 0.000 0.249 171 K C -1.247 175.353 176.600 -0.000 0.000 0.688 171 K CA -0.588 55.702 56.287 0.006 0.000 0.534 171 K CB 1.040 33.544 32.500 0.007 0.000 1.597 171 K HN 0.761 nan 8.250 nan 0.000 0.464 172 E N 1.087 121.284 120.200 -0.004 0.000 2.748 172 E HA 0.333 4.683 4.350 -0.000 0.000 0.320 172 E C -1.333 175.259 176.600 -0.013 0.000 0.996 172 E CA -0.506 55.889 56.400 -0.008 0.000 0.835 172 E CB 0.831 30.527 29.700 -0.007 0.000 1.265 172 E HN 0.460 nan 8.360 nan 0.000 0.420 173 I N -0.464 120.098 120.570 -0.013 0.000 3.395 173 I HA 0.629 4.799 4.170 -0.000 0.000 0.318 173 I C -0.912 175.195 176.117 -0.015 0.000 1.262 173 I CA -0.995 60.295 61.300 -0.017 0.000 0.910 173 I CB 0.999 38.988 38.000 -0.019 0.000 1.329 173 I HN 0.539 nan 8.210 nan 0.000 0.485 211 Q N 0.958 120.753 119.800 -0.009 0.000 2.606 211 Q HA 0.296 4.636 4.340 -0.000 0.000 0.215 211 Q C 0.777 176.772 176.000 -0.009 0.000 0.908 211 Q CA 0.383 56.181 55.803 -0.010 0.000 0.908 211 Q CB 1.256 29.987 28.738 -0.011 0.000 1.120 211 Q HN 0.540 nan 8.270 nan 0.000 0.628 212 K N -1.200 119.195 120.400 -0.009 0.000 2.789 212 K HA 0.126 4.446 4.320 -0.000 0.000 0.247 212 K C 0.069 176.664 176.600 -0.009 0.000 2.771 212 K CA 0.989 57.271 56.287 -0.009 0.000 1.498 212 K CB -0.901 31.593 32.500 -0.010 0.000 3.011 212 K HN 0.245 nan 8.250 nan 0.000 0.381 213 A N 1.694 124.508 122.820 -0.010 0.000 3.367 213 A HA -0.283 4.037 4.320 -0.000 0.000 0.270 213 A C 0.434 178.013 177.584 -0.008 0.000 1.135 213 A CA 2.145 54.176 52.037 -0.010 0.000 0.990 213 A CB -1.779 17.216 19.000 -0.009 0.000 1.026 213 A HN 0.512 nan 8.150 nan 0.000 0.763 214 R N 0.389 120.885 120.500 -0.008 0.000 2.541 214 R HA 0.477 4.817 4.340 -0.000 0.000 0.263 214 R C 0.243 176.539 176.300 -0.006 0.000 1.112 214 R CA -0.029 56.067 56.100 -0.006 0.000 1.170 214 R CB 0.299 30.596 30.300 -0.005 0.000 1.167 214 R HN 0.494 nan 8.270 nan 0.000 0.582 215 K N 3.546 123.944 120.400 -0.005 0.000 2.432 215 K HA 0.285 4.605 4.320 -0.000 0.000 0.226 215 K C -0.640 175.958 176.600 -0.002 0.000 1.057 215 K CA -0.562 55.723 56.287 -0.004 0.000 1.034 215 K CB 0.169 32.668 32.500 -0.003 0.000 1.561 215 K HN 0.444 nan 8.250 nan 0.000 0.492 216 L N -0.786 120.435 121.223 -0.003 0.000 2.334 216 L HA 0.578 4.918 4.340 -0.000 0.000 0.273 216 L C -0.320 176.550 176.870 -0.000 0.000 1.013 216 L CA -1.451 53.388 54.840 -0.002 0.000 0.816 216 L CB 1.111 43.168 42.059 -0.003 0.000 1.278 216 L HN 0.066 nan 8.230 nan 0.000 0.431 217 K N 2.018 122.418 120.400 0.001 0.000 2.580 217 K HA 0.013 4.333 4.320 -0.000 0.000 0.278 217 K C 0.998 177.600 176.600 0.003 0.000 0.960 217 K CA 0.289 56.578 56.287 0.002 0.000 0.988 217 K CB 0.981 33.482 32.500 0.002 0.000 0.887 217 K HN 0.735 nan 8.250 nan 0.000 0.509 218 I N 1.767 122.340 120.570 0.006 0.000 2.394 218 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 218 I C 2.237 178.356 176.117 0.003 0.000 1.136 218 I CA 1.254 62.558 61.300 0.007 0.000 1.425 218 I CB -0.220 37.791 38.000 0.017 0.000 1.079 218 I HN 0.631 nan 8.210 nan 0.000 0.425 219 K N 0.648 121.049 120.400 0.002 0.000 2.103 219 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 219 K C 1.175 177.773 176.600 -0.003 0.000 1.048 219 K CA 2.014 58.301 56.287 -0.001 0.000 0.930 219 K CB -0.365 32.133 32.500 -0.002 0.000 0.716 219 K HN 0.223 nan 8.250 nan 0.000 0.444 220 D N 1.184 121.582 120.400 -0.003 0.000 2.144 220 D HA 0.036 4.676 4.640 -0.000 0.000 0.207 220 D C 2.090 178.387 176.300 -0.005 0.000 0.970 220 D CA 1.456 55.453 54.000 -0.004 0.000 0.853 220 D CB -0.220 40.579 40.800 -0.003 0.000 1.007 220 D HN 0.313 nan 8.370 nan 0.000 0.469 221 A N 0.711 123.529 122.820 -0.004 0.000 1.892 221 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 221 A C 2.101 179.680 177.584 -0.007 0.000 1.188 221 A CA 2.027 54.061 52.037 -0.006 0.000 0.631 221 A CB -0.707 18.290 19.000 -0.005 0.000 0.822 221 A HN 0.192 nan 8.150 nan 0.000 0.447 222 M N 0.079 119.676 119.600 -0.006 0.000 2.082 222 M HA -0.186 4.294 4.480 -0.000 0.000 0.258 222 M C 1.843 178.137 176.300 -0.011 0.000 1.069 222 M CA 2.119 57.413 55.300 -0.009 0.000 1.102 222 M CB -0.543 32.052 32.600 -0.008 0.000 1.336 222 M HN 0.438 nan 8.290 nan 0.000 0.404 223 K N -0.554 119.840 120.400 -0.010 0.000 1.985 223 K HA -0.126 4.194 4.320 -0.000 0.000 0.210 223 K C 1.892 178.487 176.600 -0.009 0.000 1.047 223 K CA 1.381 57.663 56.287 -0.009 0.000 0.932 223 K CB -0.635 31.860 32.500 -0.008 0.000 0.716 223 K HN 0.265 nan 8.250 nan 0.000 0.439 224 L N 1.154 122.372 121.223 -0.008 0.000 2.081 224 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 224 L C 2.305 179.170 176.870 -0.008 0.000 1.080 224 L CA 1.435 56.271 54.840 -0.007 0.000 0.754 224 L CB -0.970 41.085 42.059 -0.007 0.000 0.893 224 L HN 0.298 nan 8.230 nan 0.000 0.433 225 L N -0.638 120.580 121.223 -0.010 0.000 2.141 225 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 225 L C 2.588 179.452 176.870 -0.011 0.000 1.094 225 L CA 1.163 55.996 54.840 -0.011 0.000 0.763 225 L CB -0.712 41.339 42.059 -0.013 0.000 0.908 225 L HN 0.179 nan 8.230 nan 0.000 0.437 226 I N 0.047 120.610 120.570 -0.012 0.000 2.151 226 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 226 I C 2.467 178.580 176.117 -0.007 0.000 1.080 226 I CA 1.332 62.626 61.300 -0.011 0.000 1.339 226 I CB -1.025 36.968 38.000 -0.012 0.000 1.039 226 I HN 0.428 nan 8.210 nan 0.000 0.409 227 E N 1.443 121.640 120.200 -0.006 0.000 1.998 227 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 227 E C 2.020 178.618 176.600 -0.004 0.000 0.994 227 E CA 1.392 57.789 56.400 -0.004 0.000 0.835 227 E CB -0.109 29.588 29.700 -0.005 0.000 0.786 227 E HN 0.458 nan 8.360 nan 0.000 0.467 228 E N 0.172 120.368 120.200 -0.005 0.000 2.113 228 E HA -0.312 4.038 4.350 -0.000 0.000 0.210 228 E C 2.166 178.764 176.600 -0.004 0.000 1.040 228 E CA 1.818 58.215 56.400 -0.005 0.000 0.847 228 E CB -0.227 29.469 29.700 -0.007 0.000 0.755 228 E HN 0.239 nan 8.360 nan 0.000 0.459 229 E N 0.345 120.542 120.200 -0.004 0.000 2.150 229 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 229 E C 1.745 178.346 176.600 0.002 0.000 0.985 229 E CA 1.147 57.546 56.400 -0.002 0.000 0.814 229 E CB -0.160 29.538 29.700 -0.004 0.000 0.752 229 E HN 0.300 nan 8.360 nan 0.000 0.466 230 A N 0.724 123.545 122.820 0.002 0.000 1.855 230 A HA 0.028 4.348 4.320 -0.000 0.000 0.215 230 A C 2.433 180.020 177.584 0.006 0.000 1.191 230 A CA 1.904 53.945 52.037 0.006 0.000 0.613 230 A CB -1.097 17.907 19.000 0.005 0.000 0.829 230 A HN 0.341 nan 8.150 nan 0.000 0.442 231 A N -0.070 122.751 122.820 0.002 0.000 1.851 231 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 231 A C 2.104 179.689 177.584 0.001 0.000 1.195 231 A CA 2.131 54.168 52.037 0.001 0.000 0.622 231 A CB -0.626 18.373 19.000 -0.002 0.000 0.831 231 A HN 0.500 nan 8.150 nan 0.000 0.444 232 K N -0.971 119.429 120.400 0.000 0.000 2.520 232 K HA -0.098 4.222 4.320 -0.000 0.000 0.197 232 K C 1.176 177.777 176.600 0.003 0.000 1.043 232 K CA 0.964 57.251 56.287 -0.000 0.000 0.944 232 K CB -0.193 32.306 32.500 -0.001 0.000 0.770 232 K HN 0.370 nan 8.250 nan 0.000 0.480 233 L N 0.390 121.616 121.223 0.005 0.000 2.640 233 L HA 0.191 4.531 4.340 -0.000 0.000 0.230 233 L C -0.696 176.179 176.870 0.009 0.000 1.123 233 L CA 0.239 55.084 54.840 0.008 0.000 0.900 233 L CB 1.018 43.085 42.059 0.013 0.000 1.146 233 L HN -0.243 nan 8.230 nan 0.000 0.484 234 V N 1.548 121.466 119.914 0.006 0.000 2.384 234 V HA 0.326 4.446 4.120 -0.000 0.000 0.287 234 V C 0.071 176.167 176.094 0.004 0.000 1.020 234 V CA -0.812 61.491 62.300 0.006 0.000 0.850 234 V CB 1.277 33.103 31.823 0.005 0.000 0.987 234 V HN 0.206 nan 8.190 nan 0.000 0.436 235 N N 8.365 127.068 118.700 0.006 0.000 2.421 235 N HA 0.132 4.872 4.740 -0.000 0.000 0.260 235 N C -0.973 174.539 175.510 0.003 0.000 1.173 235 N CA -1.595 51.458 53.050 0.005 0.000 0.960 235 N CB 1.480 39.971 38.487 0.007 0.000 1.273 235 N HN 0.366 nan 8.380 nan 0.000 0.497 236 P HA -0.204 nan 4.420 nan 0.000 0.215 236 P C 0.944 178.240 177.300 -0.006 0.000 1.157 236 P CA 1.250 64.346 63.100 -0.007 0.000 0.874 236 P CB 0.553 32.247 31.700 -0.010 0.000 0.790 237 E N 0.559 120.758 120.200 -0.002 0.000 2.017 237 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 237 E C 2.003 178.608 176.600 0.008 0.000 0.997 237 E CA 1.497 57.898 56.400 0.002 0.000 0.804 237 E CB -0.837 28.866 29.700 0.004 0.000 0.757 237 E HN 0.045 nan 8.360 nan 0.000 0.448 238 E N 0.044 120.250 120.200 0.011 0.000 2.265 238 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 238 E C 1.811 178.424 176.600 0.022 0.000 0.996 238 E CA 0.591 57.002 56.400 0.018 0.000 0.832 238 E CB -0.371 29.339 29.700 0.017 0.000 0.756 238 E HN 0.304 nan 8.360 nan 0.000 0.491 239 L N 1.374 122.606 121.223 0.016 0.000 1.948 239 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 239 L C 2.134 179.020 176.870 0.026 0.000 1.074 239 L CA 2.007 56.858 54.840 0.018 0.000 0.753 239 L CB -0.556 41.507 42.059 0.006 0.000 0.888 239 L HN -0.010 nan 8.230 nan 0.000 0.432 240 K N -0.417 119.992 120.400 0.014 0.000 2.209 240 K HA -0.240 4.080 4.320 -0.000 0.000 0.204 240 K C 1.941 178.571 176.600 0.049 0.000 1.048 240 K CA 1.741 58.044 56.287 0.026 0.000 0.940 240 K CB -0.490 32.001 32.500 -0.014 0.000 0.729 240 K HN 0.645 nan 8.250 nan 0.000 0.451 241 Q N 0.525 120.347 119.800 0.037 0.000 2.378 241 Q HA -0.094 4.246 4.340 -0.000 0.000 0.205 241 Q C 0.541 176.567 176.000 0.043 0.000 0.954 241 Q CA 1.106 56.931 55.803 0.038 0.000 0.901 241 Q CB 0.196 28.951 28.738 0.029 0.000 0.981 241 Q HN 0.308 nan 8.270 nan 0.000 0.483 242 D N 0.008 120.438 120.400 0.048 0.000 2.213 242 D HA 0.040 4.680 4.640 -0.000 0.000 0.205 242 D C 1.617 177.958 176.300 0.068 0.000 0.961 242 D CA 1.065 55.100 54.000 0.059 0.000 0.853 242 D CB 0.001 40.837 40.800 0.061 0.000 0.967 242 D HN 0.294 nan 8.370 nan 0.000 0.496 243 A N 0.569 123.432 122.820 0.070 0.000 1.940 243 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 243 A C 2.123 179.743 177.584 0.062 0.000 1.176 243 A CA 0.951 53.035 52.037 0.078 0.000 0.631 243 A CB -0.539 18.523 19.000 0.103 0.000 0.814 243 A HN 0.123 nan 8.150 nan 0.000 0.446 244 I N 0.828 121.432 120.570 0.056 0.000 2.142 244 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 244 I C 1.841 177.967 176.117 0.015 0.000 1.078 244 I CA 1.804 63.125 61.300 0.034 0.000 1.343 244 I CB -0.523 37.498 38.000 0.035 0.000 1.046 244 I HN 0.303 nan 8.210 nan 0.000 0.405 245 D N 0.660 121.072 120.400 0.021 0.000 2.158 245 D HA -0.232 4.408 4.640 -0.000 0.000 0.197 245 D C 2.214 178.499 176.300 -0.026 0.000 0.995 245 D CA 1.681 55.681 54.000 0.000 0.000 0.846 245 D CB -0.441 40.380 40.800 0.035 0.000 0.941 245 D HN 0.415 nan 8.370 nan 0.000 0.456 246 A N 0.894 123.737 122.820 0.039 0.000 1.845 246 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 246 A C 2.633 180.222 177.584 0.008 0.000 1.195 246 A CA 1.544 53.634 52.037 0.087 0.000 0.616 246 A CB -0.950 18.124 19.000 0.123 0.000 0.832 246 A HN 0.136 nan 8.150 nan 0.000 0.443 247 V N 0.612 120.530 119.914 0.006 0.000 2.324 247 V HA -0.296 3.824 4.120 -0.000 0.000 0.250 247 V C 2.477 178.540 176.094 -0.052 0.000 1.060 247 V CA 2.370 64.659 62.300 -0.018 0.000 1.042 247 V CB -0.918 30.897 31.823 -0.014 0.000 0.650 247 V HN 0.610 nan 8.190 nan 0.000 0.450 248 E N -0.658 119.507 120.200 -0.058 0.000 2.150 248 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 248 E C 2.251 178.782 176.600 -0.115 0.000 0.985 248 E CA 0.966 57.332 56.400 -0.057 0.000 0.814 248 E CB -0.069 29.607 29.700 -0.039 0.000 0.752 248 E HN 0.585 nan 8.360 nan 0.000 0.466 249 Q N -0.686 118.947 119.800 -0.279 0.000 2.373 249 Q HA 0.025 4.365 4.340 -0.000 0.000 0.210 249 Q C 1.050 176.628 176.000 -0.703 0.000 0.913 249 Q CA 0.802 56.267 55.803 -0.564 0.000 0.911 249 Q CB 0.631 28.853 28.738 -0.860 0.000 1.040 249 Q HN 0.479 nan 8.270 nan 0.000 0.521 250 H N -1.357 117.671 119.070 -0.071 0.000 3.052 250 H HA 0.289 4.845 4.556 -0.000 0.000 0.257 250 H C 0.454 175.761 175.328 -0.036 0.000 1.193 250 H CA 0.062 56.073 56.048 -0.062 0.000 1.072 250 H CB 0.361 30.067 29.762 -0.093 0.000 1.685 250 H HN 0.031 nan 8.280 nan 0.000 0.630 251 G N 1.629 110.427 108.800 -0.003 0.000 2.353 251 G HA2 0.315 4.275 3.960 -0.000 0.000 0.239 251 G HA3 0.315 4.275 3.960 -0.000 0.000 0.239 251 G C -0.101 174.748 174.900 -0.084 0.000 1.295 251 G CA -0.093 44.981 45.100 -0.043 0.000 0.884 251 G HN 0.272 nan 8.290 nan 0.000 0.537 252 I N 2.179 122.713 120.570 -0.060 0.000 2.468 252 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 252 I C -0.509 175.487 176.117 -0.200 0.000 1.038 252 I CA -0.688 60.581 61.300 -0.050 0.000 1.083 252 I CB 2.227 40.354 38.000 0.212 0.000 1.223 252 I HN 0.095 nan 8.210 nan 0.000 0.443 253 V N 6.710 126.404 119.914 -0.365 0.000 2.394 253 V HA 0.310 4.430 4.120 -0.000 0.000 0.282 253 V C -0.629 175.414 176.094 -0.085 0.000 1.031 253 V CA -0.543 61.565 62.300 -0.320 0.000 0.881 253 V CB 1.717 33.300 31.823 -0.400 0.000 0.982 253 V HN 0.445 nan 8.190 nan 0.000 0.451 254 F N 6.559 126.337 119.950 -0.287 0.000 2.325 254 F HA 0.581 5.108 4.527 -0.000 0.000 0.369 254 F C 0.086 175.885 175.800 -0.002 0.000 1.095 254 F CA -0.710 57.241 58.000 -0.082 0.000 1.082 254 F CB 0.766 39.732 39.000 -0.056 0.000 1.289 254 F HN 0.380 nan 8.300 nan 0.000 0.462 255 I N 5.460 125.911 120.570 -0.200 0.000 2.278 255 I HA 0.105 4.274 4.170 -0.000 0.000 0.296 255 I C 0.068 176.023 176.117 -0.269 0.000 1.121 255 I CA -0.341 60.896 61.300 -0.105 0.000 1.267 255 I CB -0.107 37.872 38.000 -0.034 0.000 1.447 255 I HN 0.476 nan 8.210 nan 0.000 0.509 256 D N 6.152 126.514 120.400 -0.064 0.000 2.382 256 D HA -0.043 4.597 4.640 -0.000 0.000 0.240 256 D C 0.860 177.152 176.300 -0.013 0.000 1.146 256 D CA 0.179 54.194 54.000 0.027 0.000 0.897 256 D CB 0.659 41.633 40.800 0.290 0.000 1.197 256 D HN 0.684 nan 8.370 nan 0.000 0.432 257 E N 1.593 121.777 120.200 -0.026 0.000 2.238 257 E HA -0.308 4.042 4.350 -0.000 0.000 0.219 257 E C 0.451 176.983 176.600 -0.114 0.000 1.275 257 E CA 0.240 56.590 56.400 -0.083 0.000 0.714 257 E CB -1.784 27.882 29.700 -0.055 0.000 1.154 257 E HN 0.662 nan 8.360 nan 0.000 0.363 258 I N 1.101 121.608 120.570 -0.106 0.000 2.567 258 I HA -0.255 3.915 4.170 -0.000 0.000 0.257 258 I C 1.983 178.026 176.117 -0.125 0.000 1.184 258 I CA 1.905 63.166 61.300 -0.066 0.000 1.451 258 I CB -0.141 37.855 38.000 -0.008 0.000 1.089 258 I HN 0.426 nan 8.210 nan 0.000 0.441 259 D N 0.803 120.982 120.400 -0.368 0.000 2.309 259 D HA -0.247 4.393 4.640 -0.000 0.000 0.212 259 D C 1.413 177.524 176.300 -0.316 0.000 0.968 259 D CA 1.026 54.641 54.000 -0.642 0.000 0.882 259 D CB -0.484 39.285 40.800 -1.718 0.000 0.918 259 D HN 0.363 nan 8.370 nan 0.000 0.503 260 K N 0.420 120.691 120.400 -0.216 0.000 2.522 260 K HA 0.155 4.475 4.320 -0.000 0.000 0.194 260 K C 1.169 177.722 176.600 -0.077 0.000 1.026 260 K CA 0.099 56.308 56.287 -0.131 0.000 1.119 260 K CB 0.097 32.533 32.500 -0.106 0.000 0.856 260 K HN 0.454 nan 8.250 nan 0.000 0.513 261 I N -3.545 116.987 120.570 -0.062 0.000 3.658 261 I HA 0.255 4.425 4.170 -0.000 0.000 0.328 261 I C -0.100 176.007 176.117 -0.015 0.000 1.567 261 I CA -0.711 60.572 61.300 -0.029 0.000 1.078 261 I CB 0.127 38.121 38.000 -0.009 0.000 1.267 261 I HN -0.179 nan 8.210 nan 0.000 0.495 262 C N 1.836 121.127 119.300 -0.015 0.000 2.345 262 C HA 0.487 4.947 4.460 -0.000 0.000 0.370 262 C C 0.477 175.471 174.990 0.006 0.000 1.209 262 C CA -0.575 58.453 59.018 0.016 0.000 2.133 262 C CB 1.721 29.496 27.740 0.059 0.000 2.293 262 C HN 0.526 nan 8.230 nan 0.000 0.544 263 K N 1.401 121.810 120.400 0.015 0.000 2.249 263 K HA 0.641 4.961 4.320 -0.000 0.000 0.280 263 K C -0.573 176.032 176.600 0.010 0.000 1.033 263 K CA -0.227 56.065 56.287 0.008 0.000 0.946 263 K CB 0.824 33.329 32.500 0.009 0.000 1.005 263 K HN 0.515 nan 8.250 nan 0.000 0.469 264 R N 1.077 121.578 120.500 0.002 0.000 2.807 264 R HA 0.351 4.691 4.340 -0.000 0.000 0.276 264 R C -0.494 175.807 176.300 0.002 0.000 0.979 264 R CA -0.454 55.647 56.100 0.002 0.000 0.928 264 R CB 1.923 32.219 30.300 -0.006 0.000 1.191 264 R HN 0.893 nan 8.270 nan 0.000 0.471 265 G N 2.342 111.144 108.800 0.003 0.000 3.506 265 G HA2 0.119 4.079 3.960 -0.000 0.000 0.268 265 G HA3 0.119 4.079 3.960 -0.000 0.000 0.268 265 G C 0.131 175.031 174.900 0.001 0.000 0.959 265 G CA -0.081 45.021 45.100 0.003 0.000 1.823 265 G HN 0.639 nan 8.290 nan 0.000 0.615 266 E N -0.377 119.823 120.200 -0.001 0.000 2.489 266 E HA 0.112 4.462 4.350 -0.000 0.000 0.208 266 E C 0.400 177.000 176.600 -0.001 0.000 0.814 266 E CA 0.431 56.830 56.400 -0.002 0.000 1.348 266 E CB 0.551 30.247 29.700 -0.006 0.000 1.334 266 E HN 0.283 nan 8.360 nan 0.000 0.672 267 S N -1.414 114.286 115.700 -0.001 0.000 3.070 267 S HA 0.553 5.023 4.470 -0.000 0.000 0.320 267 S C -0.085 174.516 174.600 0.002 0.000 1.215 267 S CA 0.302 58.502 58.200 0.001 0.000 0.956 267 S CB 1.055 64.255 63.200 0.000 0.000 1.337 267 S HN 0.105 nan 8.310 nan 0.000 0.639 268 S N -1.393 114.310 115.700 0.004 0.000 3.113 268 S HA 0.263 4.733 4.470 -0.000 0.000 0.265 268 S C 1.691 176.296 174.600 0.008 0.000 1.079 268 S CA 1.149 59.352 58.200 0.005 0.000 0.892 268 S CB -0.804 62.400 63.200 0.007 0.000 0.880 268 S HN 0.934 nan 8.310 nan 0.000 0.444 269 G N 3.385 112.193 108.800 0.014 0.000 2.491 269 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.218 269 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.218 269 G C -0.228 174.678 174.900 0.010 0.000 1.180 269 G CA 1.423 46.537 45.100 0.023 0.000 0.774 269 G HN 0.583 nan 8.290 nan 0.000 0.562 270 P HA -0.086 nan 4.420 nan 0.000 0.215 270 P C 0.888 178.175 177.300 -0.021 0.000 1.157 270 P CA 1.485 64.569 63.100 -0.027 0.000 0.868 270 P CB -0.109 31.573 31.700 -0.032 0.000 0.788 271 D N -0.032 120.361 120.400 -0.012 0.000 2.172 271 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 271 D C 2.134 178.431 176.300 -0.006 0.000 0.999 271 D CA 1.058 55.053 54.000 -0.009 0.000 0.856 271 D CB -0.764 40.034 40.800 -0.003 0.000 0.934 271 D HN 0.053 nan 8.370 nan 0.000 0.453 272 V N 1.540 121.453 119.914 -0.002 0.000 2.261 272 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 272 V C 2.774 178.867 176.094 -0.002 0.000 1.047 272 V CA 2.235 64.536 62.300 0.002 0.000 1.015 272 V CB -0.732 31.098 31.823 0.012 0.000 0.642 272 V HN 0.298 nan 8.190 nan 0.000 0.446 273 S N 0.030 115.726 115.700 -0.007 0.000 2.368 273 S HA -0.235 4.235 4.470 -0.000 0.000 0.224 273 S C 2.028 176.618 174.600 -0.016 0.000 1.029 273 S CA 1.356 59.547 58.200 -0.015 0.000 0.988 273 S CB -0.473 62.698 63.200 -0.048 0.000 0.838 273 S HN 0.489 nan 8.310 nan 0.000 0.462 274 R N 1.373 121.860 120.500 -0.021 0.000 2.103 274 R HA -0.069 4.271 4.340 -0.000 0.000 0.234 274 R C 2.691 178.984 176.300 -0.011 0.000 1.132 274 R CA 2.128 58.217 56.100 -0.017 0.000 0.925 274 R CB -0.471 29.817 30.300 -0.020 0.000 0.842 274 R HN 0.567 nan 8.270 nan 0.000 0.430 275 E N -0.741 119.452 120.200 -0.011 0.000 2.160 275 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 275 E C 2.001 178.591 176.600 -0.018 0.000 0.991 275 E CA 1.132 57.525 56.400 -0.012 0.000 0.810 275 E CB -0.215 29.479 29.700 -0.009 0.000 0.742 275 E HN 0.571 nan 8.360 nan 0.000 0.466 276 G N 1.151 109.943 108.800 -0.014 0.000 2.446 276 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 276 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 276 G C 1.739 176.623 174.900 -0.026 0.000 1.168 276 G CA 0.925 46.016 45.100 -0.016 0.000 0.771 276 G HN 0.164 nan 8.290 nan 0.000 0.551 277 V N 0.505 120.410 119.914 -0.016 0.000 2.469 277 V HA -0.253 3.867 4.120 -0.000 0.000 0.251 277 V C 2.860 178.916 176.094 -0.064 0.000 1.064 277 V CA 2.151 64.436 62.300 -0.025 0.000 1.066 277 V CB -0.518 31.326 31.823 0.035 0.000 0.667 277 V HN 0.458 nan 8.190 nan 0.000 0.461 278 Q N -0.641 119.130 119.800 -0.049 0.000 2.079 278 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 278 Q C 2.571 178.522 176.000 -0.082 0.000 0.974 278 Q CA 1.027 56.791 55.803 -0.064 0.000 0.840 278 Q CB -0.178 28.535 28.738 -0.042 0.000 0.898 278 Q HN 0.491 nan 8.270 nan 0.000 0.430 279 R N 0.911 121.372 120.500 -0.066 0.000 2.120 279 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 279 R C 1.515 177.763 176.300 -0.087 0.000 1.123 279 R CA 1.042 57.102 56.100 -0.067 0.000 0.975 279 R CB -0.366 29.905 30.300 -0.047 0.000 0.866 279 R HN 0.396 nan 8.270 nan 0.000 0.446 280 D N 0.516 120.857 120.400 -0.098 0.000 2.117 280 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 280 D C 1.933 178.128 176.300 -0.175 0.000 0.982 280 D CA 0.819 54.743 54.000 -0.127 0.000 0.828 280 D CB 0.070 40.787 40.800 -0.138 0.000 0.967 280 D HN 0.057 nan 8.370 nan 0.000 0.464 281 L N 0.668 121.773 121.223 -0.196 0.000 2.217 281 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 281 L C 2.203 178.936 176.870 -0.228 0.000 1.107 281 L CA 0.466 55.164 54.840 -0.237 0.000 0.783 281 L CB -0.392 41.529 42.059 -0.230 0.000 0.919 281 L HN -0.006 nan 8.230 nan 0.000 0.442 282 L N 1.068 122.185 121.223 -0.177 0.000 2.010 282 L HA -0.206 4.133 4.340 -0.000 0.000 0.219 282 L C -0.445 176.329 176.870 -0.159 0.000 1.077 282 L CA 2.460 57.203 54.840 -0.162 0.000 0.773 282 L CB -1.693 40.298 42.059 -0.113 0.000 0.892 282 L HN 0.222 nan 8.230 nan 0.000 0.436 283 P HA -0.193 nan 4.420 nan 0.000 0.218 283 P C 2.131 179.361 177.300 -0.116 0.000 1.148 283 P CA 1.613 64.650 63.100 -0.106 0.000 0.822 283 P CB -0.097 31.554 31.700 -0.082 0.000 0.784 284 L N -0.064 121.069 121.223 -0.151 0.000 2.017 284 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 284 L C 2.563 179.302 176.870 -0.219 0.000 1.073 284 L CA 1.789 56.552 54.840 -0.129 0.000 0.745 284 L CB -1.140 40.835 42.059 -0.141 0.000 0.894 284 L HN -0.053 nan 8.230 nan 0.000 0.432 285 V N -4.053 115.584 119.914 -0.463 0.000 3.649 285 V HA 0.022 4.142 4.120 -0.000 0.000 0.275 285 V C 1.676 177.636 176.094 -0.222 0.000 1.281 285 V CA 0.792 62.764 62.300 -0.547 0.000 1.143 285 V CB 0.093 31.455 31.823 -0.767 0.000 0.892 285 V HN 0.411 nan 8.190 nan 0.000 0.441 286 E N 1.042 121.146 120.200 -0.160 0.000 2.389 286 E HA 0.442 4.792 4.350 -0.000 0.000 0.199 286 E C 0.930 177.483 176.600 -0.079 0.000 0.978 286 E CA 0.663 57.001 56.400 -0.104 0.000 0.912 286 E CB 0.719 30.362 29.700 -0.095 0.000 0.907 286 E HN 0.807 nan 8.360 nan 0.000 0.494 287 G N 0.725 109.482 108.800 -0.071 0.000 3.305 287 G HA2 0.003 3.963 3.960 -0.000 0.000 0.649 287 G HA3 0.003 3.963 3.960 -0.000 0.000 0.649 287 G C -0.507 174.367 174.900 -0.042 0.000 1.255 287 G CA -0.595 44.470 45.100 -0.058 0.000 1.137 287 G HN 0.412 nan 8.290 nan 0.000 0.535 288 C N -0.349 118.934 119.300 -0.028 0.000 3.266 288 C HA 0.950 5.410 4.460 -0.000 0.000 0.369 288 C C 0.009 174.992 174.990 -0.011 0.000 1.580 288 C CA -0.154 58.850 59.018 -0.022 0.000 1.165 288 C CB 1.542 29.263 27.740 -0.031 0.000 1.835 288 C HN 1.315 nan 8.230 nan 0.000 0.433 289 T N 1.353 115.901 114.554 -0.010 0.000 2.812 289 T HA 0.670 5.020 4.350 -0.000 0.000 0.282 289 T C -0.597 174.099 174.700 -0.007 0.000 0.990 289 T CA -0.211 61.886 62.100 -0.004 0.000 0.960 289 T CB 1.375 70.242 68.868 -0.001 0.000 0.948 289 T HN 0.772 nan 8.240 nan 0.000 0.438 290 V N 2.416 122.327 119.914 -0.005 0.000 2.769 290 V HA 0.528 4.648 4.120 -0.000 0.000 0.312 290 V C 0.150 176.241 176.094 -0.006 0.000 1.058 290 V CA -0.818 61.477 62.300 -0.009 0.000 0.952 290 V CB 2.281 34.098 31.823 -0.011 0.000 1.019 290 V HN 0.890 nan 8.190 nan 0.000 0.445 291 S N 2.105 117.801 115.700 -0.007 0.000 2.422 291 S HA 0.489 4.959 4.470 -0.000 0.000 0.298 291 S C 0.061 174.655 174.600 -0.010 0.000 1.118 291 S CA -0.336 57.863 58.200 -0.002 0.000 1.083 291 S CB 0.811 64.012 63.200 0.003 0.000 0.971 291 S HN 0.837 nan 8.310 nan 0.000 0.478 292 T N 2.516 117.062 114.554 -0.013 0.000 2.945 292 T HA 0.269 4.619 4.350 -0.000 0.000 0.286 292 T C 1.274 175.975 174.700 0.001 0.000 1.025 292 T CA -0.933 61.141 62.100 -0.044 0.000 1.039 292 T CB 1.142 69.960 68.868 -0.082 0.000 1.068 292 T HN 0.628 nan 8.240 nan 0.000 0.497 293 K N 0.392 120.796 120.400 0.005 0.000 2.505 293 K HA 0.104 4.424 4.320 -0.000 0.000 0.192 293 K C 0.505 177.305 176.600 0.333 0.000 1.025 293 K CA 0.842 57.211 56.287 0.137 0.000 1.086 293 K CB -0.128 32.461 32.500 0.149 0.000 0.840 293 K HN 0.726 nan 8.250 nan 0.000 0.514 294 H N -0.321 118.756 119.070 0.012 0.000 2.923 294 H HA 0.286 4.842 4.556 -0.000 0.000 0.268 294 H C 0.292 175.627 175.328 0.011 0.000 1.148 294 H CA -0.600 55.455 56.048 0.012 0.000 1.146 294 H CB 1.343 31.113 29.762 0.014 0.000 1.607 294 H HN 0.432 nan 8.280 nan 0.000 0.566 295 G N 1.027 109.899 108.800 0.119 0.000 2.359 295 G HA2 0.014 3.974 3.960 -0.000 0.000 0.303 295 G HA3 0.014 3.974 3.960 -0.000 0.000 0.303 295 G C -1.623 173.299 174.900 0.036 0.000 1.293 295 G CA -1.110 44.029 45.100 0.066 0.000 0.964 295 G HN 0.030 nan 8.290 nan 0.000 0.531 296 M N 1.035 120.651 119.600 0.026 0.000 2.063 296 M HA 0.610 5.090 4.480 -0.000 0.000 0.348 296 M C -0.209 176.098 176.300 0.012 0.000 1.180 296 M CA -0.354 54.955 55.300 0.015 0.000 1.059 296 M CB 1.169 33.778 32.600 0.015 0.000 1.544 296 M HN 0.465 nan 8.290 nan 0.000 0.447 297 V N 4.907 124.824 119.914 0.005 0.000 2.472 297 V HA 0.478 4.598 4.120 -0.000 0.000 0.290 297 V C -0.223 175.874 176.094 0.004 0.000 1.037 297 V CA -0.890 61.412 62.300 0.003 0.000 0.908 297 V CB 1.788 33.607 31.823 -0.005 0.000 0.985 297 V HN 0.679 nan 8.190 nan 0.000 0.454 298 K N 1.698 122.102 120.400 0.007 0.000 2.206 298 K HA 0.410 4.730 4.320 -0.000 0.000 0.264 298 K C 0.902 177.510 176.600 0.014 0.000 0.967 298 K CA -0.174 56.119 56.287 0.010 0.000 0.844 298 K CB 1.499 34.008 32.500 0.015 0.000 1.099 298 K HN 0.865 nan 8.250 nan 0.000 0.441 299 T N -0.621 113.944 114.554 0.018 0.000 3.107 299 T HA 0.033 4.383 4.350 -0.000 0.000 0.249 299 T C 0.534 175.245 174.700 0.019 0.000 1.096 299 T CA 0.297 62.425 62.100 0.046 0.000 1.012 299 T CB -0.076 68.857 68.868 0.107 0.000 0.977 299 T HN 0.566 nan 8.240 nan 0.000 0.527 300 D N 1.622 121.981 120.400 -0.068 0.000 2.280 300 D HA -0.141 4.499 4.640 -0.000 0.000 0.206 300 D C 1.309 177.298 176.300 -0.518 0.000 0.988 300 D CA 1.155 54.997 54.000 -0.263 0.000 0.886 300 D CB -0.122 40.479 40.800 -0.332 0.000 0.914 300 D HN 0.601 nan 8.370 nan 0.000 0.473 301 H N -1.374 117.701 119.070 0.008 0.000 2.785 301 H HA 0.234 4.790 4.556 -0.000 0.000 0.268 301 H C 0.040 175.346 175.328 -0.037 0.000 1.153 301 H CA -0.555 55.484 56.048 -0.014 0.000 1.111 301 H CB 0.484 30.210 29.762 -0.060 0.000 1.633 301 H HN 0.071 nan 8.280 nan 0.000 0.576 302 I N 1.856 122.431 120.570 0.010 0.000 2.696 302 I HA -0.055 4.115 4.170 -0.000 0.000 0.284 302 I C 0.298 176.306 176.117 -0.181 0.000 1.129 302 I CA -0.220 60.988 61.300 -0.153 0.000 1.410 302 I CB 0.593 38.389 38.000 -0.340 0.000 1.399 302 I HN 0.023 nan 8.210 nan 0.000 0.579 303 L N 6.900 127.988 121.223 -0.226 0.000 2.289 303 L HA 0.543 4.883 4.340 -0.000 0.000 0.285 303 L C -1.273 175.429 176.870 -0.279 0.000 1.049 303 L CA 0.268 55.050 54.840 -0.097 0.000 0.804 303 L CB 0.356 42.420 42.059 0.009 0.000 1.195 303 L HN 0.265 nan 8.230 nan 0.000 0.428 304 F N 5.688 125.657 119.950 0.033 0.000 2.458 304 F HA 0.547 5.074 4.527 -0.000 0.000 0.336 304 F C -0.037 175.778 175.800 0.024 0.000 1.114 304 F CA -0.415 57.594 58.000 0.015 0.000 0.987 304 F CB 1.452 40.439 39.000 -0.022 0.000 1.130 304 F HN 0.257 nan 8.300 nan 0.000 0.458 305 I N 3.731 124.405 120.570 0.174 0.000 2.390 305 I HA 0.481 4.651 4.170 -0.000 0.000 0.283 305 I C -0.129 175.907 176.117 -0.134 0.000 1.016 305 I CA -0.615 60.750 61.300 0.108 0.000 1.151 305 I CB 1.074 39.236 38.000 0.270 0.000 1.293 305 I HN 0.657 nan 8.210 nan 0.000 0.458 306 A N 4.524 127.282 122.820 -0.104 0.000 2.286 306 A HA 0.768 5.088 4.320 -0.000 0.000 0.286 306 A C -0.107 177.330 177.584 -0.245 0.000 1.097 306 A CA -0.304 51.613 52.037 -0.201 0.000 0.821 306 A CB 1.332 20.303 19.000 -0.048 0.000 1.076 306 A HN 0.586 nan 8.150 nan 0.000 0.490 307 S N -0.573 114.962 115.700 -0.276 0.000 2.540 307 S HA 0.789 5.259 4.470 -0.000 0.000 0.275 307 S C -0.368 174.239 174.600 0.012 0.000 1.123 307 S CA 0.183 58.323 58.200 -0.101 0.000 0.907 307 S CB 1.525 64.627 63.200 -0.162 0.000 1.081 307 S HN 1.959 nan 8.310 nan 0.000 0.476 308 G N 0.832 109.710 108.800 0.129 0.000 2.660 308 G HA2 0.663 4.623 3.960 -0.000 0.000 0.290 308 G HA3 0.663 4.623 3.960 -0.000 0.000 0.290 308 G C 0.157 175.075 174.900 0.030 0.000 1.432 308 G CA -0.029 45.009 45.100 -0.103 0.000 0.807 308 G HN 1.047 nan 8.290 nan 0.000 0.485 309 A N -0.622 122.106 122.820 -0.152 0.000 1.942 309 A HA 0.576 4.896 4.320 -0.000 0.000 0.209 309 A C 0.795 178.453 177.584 0.123 0.000 1.214 309 A CA 0.592 52.636 52.037 0.012 0.000 0.686 309 A CB -0.466 18.513 19.000 -0.036 0.000 0.871 309 A HN 1.388 nan 8.150 nan 0.000 0.460 310 F N -1.093 118.862 119.950 0.009 0.000 2.905 310 F HA -0.208 4.319 4.527 -0.000 0.000 0.291 310 F C 1.123 176.926 175.800 0.005 0.000 1.002 310 F CA 0.899 58.901 58.000 0.004 0.000 0.978 310 F CB -1.707 37.295 39.000 0.004 0.000 1.036 310 F HN 0.300 nan 8.300 nan 0.000 0.820 311 Q N 0.552 120.397 119.800 0.075 0.000 2.390 311 Q HA 0.152 4.492 4.340 -0.000 0.000 0.216 311 Q C 2.274 178.301 176.000 0.044 0.000 0.916 311 Q CA 1.256 57.093 55.803 0.057 0.000 0.911 311 Q CB 0.156 28.907 28.738 0.022 0.000 1.035 311 Q HN 0.618 nan 8.270 nan 0.000 0.541 312 I N -1.749 118.833 120.570 0.019 0.000 2.260 312 I HA 0.272 4.442 4.170 -0.000 0.000 0.237 312 I C 0.991 177.136 176.117 0.046 0.000 1.075 312 I CA 0.886 62.194 61.300 0.013 0.000 1.376 312 I CB -1.600 36.387 38.000 -0.021 0.000 1.107 312 I HN -0.041 nan 8.210 nan 0.000 0.420 313 A N 1.083 123.944 122.820 0.069 0.000 2.263 313 A HA 0.682 5.002 4.320 -0.000 0.000 0.318 313 A C -0.158 177.618 177.584 0.320 0.000 1.111 313 A CA -0.542 51.584 52.037 0.149 0.000 0.901 313 A CB 0.881 19.961 19.000 0.132 0.000 1.280 313 A HN 0.399 nan 8.150 nan 0.000 0.503 314 K N -0.287 120.278 120.400 0.276 0.000 2.375 314 K HA 0.423 4.743 4.320 -0.000 0.000 0.249 314 K C -2.341 174.260 176.600 0.001 0.000 0.942 314 K CA -1.762 54.612 56.287 0.144 0.000 0.806 314 K CB 2.082 34.602 32.500 0.033 0.000 1.227 314 K HN 0.212 nan 8.250 nan 0.000 0.430 315 P HA -0.262 nan 4.420 nan 0.000 0.217 315 P C 0.831 178.052 177.300 -0.132 0.000 1.148 315 P CA 1.419 64.256 63.100 -0.438 0.000 0.834 315 P CB 0.153 31.516 31.700 -0.562 0.000 0.783 316 S N -2.297 113.349 115.700 -0.090 0.000 2.603 316 S HA -0.076 4.394 4.470 -0.000 0.000 0.229 316 S C 1.373 175.970 174.600 -0.006 0.000 0.972 316 S CA 0.788 58.962 58.200 -0.043 0.000 0.935 316 S CB -0.789 62.389 63.200 -0.037 0.000 0.769 316 S HN 0.072 nan 8.310 nan 0.000 0.536 317 D N 0.575 120.991 120.400 0.027 0.000 2.350 317 D HA 0.230 4.870 4.640 -0.000 0.000 0.213 317 D C 0.282 176.612 176.300 0.049 0.000 1.031 317 D CA -0.015 54.014 54.000 0.048 0.000 0.861 317 D CB 0.036 40.885 40.800 0.081 0.000 0.926 317 D HN 0.288 nan 8.370 nan 0.000 0.520 318 L N 1.580 122.833 121.223 0.050 0.000 2.464 318 L HA 0.205 4.545 4.340 -0.000 0.000 0.264 318 L C 1.054 177.928 176.870 0.006 0.000 1.199 318 L CA -0.420 54.443 54.840 0.037 0.000 0.818 318 L CB 0.174 42.251 42.059 0.030 0.000 1.102 318 L HN 0.062 nan 8.230 nan 0.000 0.473 319 I N 0.929 121.495 120.570 -0.007 0.000 2.813 319 I HA 0.108 4.278 4.170 -0.000 0.000 0.287 319 I C -1.205 174.898 176.117 -0.024 0.000 1.196 319 I CA -1.192 60.098 61.300 -0.016 0.000 1.421 319 I CB 0.033 38.018 38.000 -0.025 0.000 1.365 319 I HN 0.461 nan 8.210 nan 0.000 0.591 320 P HA -0.204 nan 4.420 nan 0.000 0.216 320 P C 1.033 178.313 177.300 -0.033 0.000 1.150 320 P CA 1.684 64.769 63.100 -0.026 0.000 0.843 320 P CB 0.143 31.829 31.700 -0.022 0.000 0.787 321 E N -0.618 119.559 120.200 -0.038 0.000 2.204 321 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 321 E C 1.982 178.546 176.600 -0.059 0.000 0.990 321 E CA 0.619 56.991 56.400 -0.047 0.000 0.821 321 E CB -0.912 28.757 29.700 -0.052 0.000 0.750 321 E HN 0.166 nan 8.360 nan 0.000 0.477 322 L N 0.406 121.594 121.223 -0.060 0.000 2.162 322 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 322 L C 1.865 178.700 176.870 -0.057 0.000 1.086 322 L CA 1.568 56.365 54.840 -0.071 0.000 0.778 322 L CB -0.237 41.782 42.059 -0.065 0.000 0.928 322 L HN 0.047 nan 8.230 nan 0.000 0.446 323 Q N -0.991 118.783 119.800 -0.044 0.000 2.170 323 Q HA -0.137 4.203 4.340 -0.000 0.000 0.203 323 Q C 2.036 178.012 176.000 -0.039 0.000 0.976 323 Q CA 1.312 57.090 55.803 -0.042 0.000 0.858 323 Q CB -0.464 28.251 28.738 -0.039 0.000 0.907 323 Q HN 0.643 nan 8.270 nan 0.000 0.433 324 G N 0.617 109.394 108.800 -0.038 0.000 2.422 324 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 324 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 324 G C 1.425 176.305 174.900 -0.033 0.000 1.140 324 G CA 0.211 45.291 45.100 -0.033 0.000 0.775 324 G HN 0.086 nan 8.290 nan 0.000 0.545 325 R N -0.463 120.009 120.500 -0.047 0.000 2.313 325 R HA 0.191 4.531 4.340 -0.000 0.000 0.199 325 R C 0.149 176.430 176.300 -0.031 0.000 0.958 325 R CA 0.004 56.074 56.100 -0.050 0.000 1.047 325 R CB -0.026 30.217 30.300 -0.094 0.000 0.955 325 R HN 0.227 nan 8.270 nan 0.000 0.481 326 L N 2.341 123.548 121.223 -0.027 0.000 3.030 326 L HA 0.251 4.591 4.340 -0.000 0.000 0.252 326 L C -1.471 175.394 176.870 -0.008 0.000 1.316 326 L CA -2.076 52.758 54.840 -0.012 0.000 0.975 326 L CB 0.824 42.869 42.059 -0.023 0.000 1.357 326 L HN -0.124 nan 8.230 nan 0.000 0.534 327 P HA -0.179 nan 4.420 nan 0.000 0.217 327 P C 0.642 177.945 177.300 0.004 0.000 1.148 327 P CA 1.278 64.379 63.100 0.002 0.000 0.834 327 P CB 0.548 32.256 31.700 0.012 0.000 0.783 328 I N 0.944 121.522 120.570 0.014 0.000 2.353 328 I HA 0.257 4.427 4.170 -0.000 0.000 0.293 328 I C 0.789 176.910 176.117 0.006 0.000 0.992 328 I CA -0.716 60.594 61.300 0.017 0.000 1.268 328 I CB 0.977 38.999 38.000 0.037 0.000 1.387 328 I HN -0.087 nan 8.210 nan 0.000 0.478 329 R N 4.987 125.485 120.500 -0.003 0.000 2.561 329 R HA 0.731 5.071 4.340 -0.000 0.000 0.297 329 R C -1.164 175.136 176.300 -0.000 0.000 0.969 329 R CA -0.859 55.230 56.100 -0.019 0.000 0.879 329 R CB 2.662 32.931 30.300 -0.052 0.000 1.178 329 R HN 0.406 nan 8.270 nan 0.000 0.445 330 V N 2.007 121.928 119.914 0.012 0.000 2.808 330 V HA 0.374 4.494 4.120 -0.000 0.000 0.308 330 V C -0.858 175.258 176.094 0.037 0.000 1.099 330 V CA -0.636 61.681 62.300 0.029 0.000 0.920 330 V CB 2.571 34.422 31.823 0.047 0.000 1.014 330 V HN 0.727 nan 8.190 nan 0.000 0.425 331 E N 4.447 124.668 120.200 0.036 0.000 2.214 331 E HA 0.612 4.962 4.350 -0.000 0.000 0.274 331 E C -1.568 175.069 176.600 0.061 0.000 0.977 331 E CA -0.751 55.678 56.400 0.048 0.000 0.827 331 E CB 2.282 32.004 29.700 0.036 0.000 1.130 331 E HN 0.454 nan 8.360 nan 0.000 0.394 332 L N 2.679 123.947 121.223 0.076 0.000 2.341 332 L HA 0.217 4.557 4.340 -0.000 0.000 0.278 332 L C -0.095 176.820 176.870 0.076 0.000 1.005 332 L CA -0.711 54.177 54.840 0.079 0.000 0.818 332 L CB 1.554 43.670 42.059 0.096 0.000 1.259 332 L HN 0.321 nan 8.230 nan 0.000 0.418 333 Q N 1.591 121.433 119.800 0.071 0.000 2.317 333 Q HA 0.581 4.921 4.340 -0.000 0.000 0.229 333 Q C -0.054 175.995 176.000 0.082 0.000 0.984 333 Q CA -0.444 55.401 55.803 0.069 0.000 0.911 333 Q CB 1.331 30.106 28.738 0.061 0.000 1.217 333 Q HN 0.714 nan 8.270 nan 0.000 0.501 334 A N 1.413 124.282 122.820 0.082 0.000 2.386 334 A HA 0.374 4.694 4.320 -0.000 0.000 0.248 334 A C -0.118 177.540 177.584 0.124 0.000 1.082 334 A CA -0.383 51.711 52.037 0.094 0.000 0.789 334 A CB 0.121 19.166 19.000 0.076 0.000 1.025 334 A HN 0.633 nan 8.150 nan 0.000 0.490 335 L N 1.466 122.785 121.223 0.160 0.000 2.371 335 L HA 0.357 4.697 4.340 -0.000 0.000 0.272 335 L C 1.287 178.264 176.870 0.178 0.000 1.124 335 L CA -0.352 54.605 54.840 0.195 0.000 0.816 335 L CB 1.208 43.483 42.059 0.359 0.000 1.129 335 L HN 1.000 nan 8.230 nan 0.000 0.448 336 T N -2.331 112.269 114.554 0.077 0.000 2.888 336 T HA 0.216 4.566 4.350 -0.000 0.000 0.283 336 T C 1.029 175.537 174.700 -0.320 0.000 1.013 336 T CA -0.275 61.770 62.100 -0.092 0.000 0.938 336 T CB 1.060 69.844 68.868 -0.141 0.000 1.298 336 T HN 0.605 nan 8.240 nan 0.000 0.580 337 T N 0.148 114.380 114.554 -0.537 0.000 3.043 337 T HA 0.027 4.377 4.350 -0.000 0.000 0.263 337 T C 2.215 176.847 174.700 -0.113 0.000 1.094 337 T CA 0.800 62.655 62.100 -0.408 0.000 1.127 337 T CB -0.428 68.114 68.868 -0.543 0.000 0.905 337 T HN 0.533 nan 8.240 nan 0.000 0.490 338 S N 1.834 117.465 115.700 -0.115 0.000 2.387 338 S HA -0.094 4.376 4.470 -0.000 0.000 0.226 338 S C 1.775 176.400 174.600 0.043 0.000 1.026 338 S CA 0.849 59.029 58.200 -0.034 0.000 0.972 338 S CB -0.350 62.819 63.200 -0.051 0.000 0.814 338 S HN 0.435 nan 8.310 nan 0.000 0.477 339 D N 1.018 121.460 120.400 0.069 0.000 2.104 339 D HA -0.059 4.581 4.640 -0.000 0.000 0.194 339 D C 1.615 178.080 176.300 0.274 0.000 0.994 339 D CA 0.934 55.025 54.000 0.152 0.000 0.830 339 D CB -0.341 40.565 40.800 0.177 0.000 0.959 339 D HN 0.233 nan 8.370 nan 0.000 0.452 340 F N 1.689 121.658 119.950 0.031 0.000 2.069 340 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 340 F C 2.419 178.216 175.800 -0.006 0.000 1.113 340 F CA 0.923 58.938 58.000 0.025 0.000 1.214 340 F CB -0.927 38.109 39.000 0.061 0.000 0.978 340 F HN 0.048 nan 8.300 nan 0.000 0.474 341 E N -0.310 120.008 120.200 0.197 0.000 2.070 341 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 341 E C 2.309 178.931 176.600 0.038 0.000 1.004 341 E CA 1.559 58.007 56.400 0.080 0.000 0.805 341 E CB -0.256 29.472 29.700 0.047 0.000 0.744 341 E HN 0.410 nan 8.360 nan 0.000 0.451 342 R N 0.420 120.949 120.500 0.049 0.000 2.075 342 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 342 R C 2.474 178.782 176.300 0.013 0.000 1.126 342 R CA 1.016 57.130 56.100 0.025 0.000 0.963 342 R CB -0.324 29.994 30.300 0.030 0.000 0.858 342 R HN 0.190 nan 8.270 nan 0.000 0.435 343 I N 0.820 121.407 120.570 0.029 0.000 2.423 343 I HA -0.262 3.908 4.170 -0.000 0.000 0.254 343 I C 1.902 178.001 176.117 -0.030 0.000 1.151 343 I CA 0.750 62.051 61.300 0.002 0.000 1.421 343 I CB -0.119 37.874 38.000 -0.012 0.000 1.079 343 I HN 0.133 nan 8.210 nan 0.000 0.431 344 L N 0.292 121.485 121.223 -0.050 0.000 2.201 344 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 344 L C 2.350 179.157 176.870 -0.105 0.000 1.105 344 L CA 2.331 57.113 54.840 -0.096 0.000 0.775 344 L CB -0.731 41.257 42.059 -0.120 0.000 0.913 344 L HN 0.458 nan 8.230 nan 0.000 0.440 345 T N -7.112 107.402 114.554 -0.067 0.000 3.010 345 T HA 0.060 4.410 4.350 -0.000 0.000 0.253 345 T C 1.608 176.290 174.700 -0.029 0.000 0.939 345 T CA 0.209 62.276 62.100 -0.055 0.000 0.910 345 T CB -0.058 68.781 68.868 -0.048 0.000 1.226 345 T HN 0.104 nan 8.240 nan 0.000 0.508 346 E N 2.095 122.280 120.200 -0.024 0.000 2.047 346 E HA 0.113 4.463 4.350 -0.000 0.000 0.191 346 E C -1.513 175.063 176.600 -0.040 0.000 0.987 346 E CA 0.329 56.714 56.400 -0.025 0.000 0.799 346 E CB -0.662 29.028 29.700 -0.017 0.000 0.752 346 E HN 0.453 nan 8.360 nan 0.000 0.449 347 P HA -0.041 nan 4.420 nan 0.000 0.273 347 P C -1.029 176.227 177.300 -0.074 0.000 1.258 347 P CA 0.366 63.428 63.100 -0.063 0.000 0.802 347 P CB 0.342 32.035 31.700 -0.012 0.000 1.040 348 N N 0.168 118.789 118.700 -0.133 0.000 2.472 348 N HA 0.377 5.117 4.740 -0.000 0.000 0.277 348 N C -0.060 175.461 175.510 0.017 0.000 1.081 348 N CA 0.061 53.062 53.050 -0.082 0.000 0.973 348 N CB 0.330 38.722 38.487 -0.158 0.000 1.105 348 N HN 0.481 nan 8.380 nan 0.000 0.470 349 A N 1.161 123.992 122.820 0.018 0.000 2.872 349 A HA -0.212 4.108 4.320 -0.000 0.000 0.273 349 A C 0.711 178.312 177.584 0.029 0.000 1.442 349 A CA 0.688 52.743 52.037 0.029 0.000 0.801 349 A CB -2.494 16.532 19.000 0.043 0.000 1.031 349 A HN 0.755 nan 8.150 nan 0.000 0.582 350 S N -0.481 115.231 115.700 0.019 0.000 2.569 350 S HA 0.379 4.849 4.470 -0.000 0.000 0.274 350 S C 1.536 176.151 174.600 0.025 0.000 1.353 350 S CA -0.100 58.110 58.200 0.017 0.000 1.023 350 S CB 0.169 63.365 63.200 -0.006 0.000 0.876 350 S HN 1.478 nan 8.310 nan 0.000 0.540 351 I N -1.290 119.302 120.570 0.037 0.000 2.423 351 I HA -0.127 4.043 4.170 -0.000 0.000 0.254 351 I C 2.272 178.451 176.117 0.104 0.000 1.151 351 I CA 1.720 63.065 61.300 0.075 0.000 1.421 351 I CB -1.353 36.723 38.000 0.125 0.000 1.079 351 I HN 0.686 nan 8.210 nan 0.000 0.431 352 T N 0.845 115.390 114.554 -0.015 0.000 2.857 352 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 352 T C 1.954 176.709 174.700 0.092 0.000 1.048 352 T CA 1.166 63.197 62.100 -0.115 0.000 1.139 352 T CB -0.092 68.551 68.868 -0.375 0.000 0.874 352 T HN 0.216 nan 8.240 nan 0.000 0.455 353 V N 1.285 121.238 119.914 0.064 0.000 2.427 353 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 353 V C 2.571 178.723 176.094 0.096 0.000 1.051 353 V CA 1.686 64.037 62.300 0.085 0.000 1.048 353 V CB -0.467 31.382 31.823 0.043 0.000 0.666 353 V HN 0.542 nan 8.190 nan 0.000 0.456 354 Q N -1.357 118.489 119.800 0.076 0.000 2.061 354 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 354 Q C 2.186 178.208 176.000 0.036 0.000 0.984 354 Q CA 2.374 58.195 55.803 0.031 0.000 0.846 354 Q CB -0.324 28.409 28.738 -0.009 0.000 0.902 354 Q HN 0.683 nan 8.270 nan 0.000 0.421 355 Y N 1.095 121.434 120.300 0.065 0.000 2.165 355 Y HA -0.271 4.279 4.550 -0.000 0.000 0.286 355 Y C 2.449 178.404 175.900 0.092 0.000 1.155 355 Y CA 1.686 59.844 58.100 0.096 0.000 1.164 355 Y CB 0.002 38.569 38.460 0.177 0.000 0.978 355 Y HN 0.002 nan 8.280 nan 0.000 0.513 356 K N -0.317 120.252 120.400 0.283 0.000 2.026 356 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 356 K C 2.303 178.953 176.600 0.084 0.000 1.048 356 K CA 1.218 57.606 56.287 0.169 0.000 0.929 356 K CB -0.357 32.240 32.500 0.162 0.000 0.713 356 K HN 0.280 nan 8.250 nan 0.000 0.439 357 A N 1.187 124.044 122.820 0.061 0.000 1.883 357 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 357 A C 2.136 179.719 177.584 -0.002 0.000 1.186 357 A CA 1.539 53.588 52.037 0.020 0.000 0.624 357 A CB -0.773 18.232 19.000 0.008 0.000 0.822 357 A HN 0.324 nan 8.150 nan 0.000 0.444 358 L N -1.185 120.022 121.223 -0.026 0.000 2.046 358 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 358 L C 2.780 179.635 176.870 -0.024 0.000 1.077 358 L CA 1.137 55.941 54.840 -0.060 0.000 0.747 358 L CB -0.382 41.580 42.059 -0.161 0.000 0.896 358 L HN 0.350 nan 8.230 nan 0.000 0.432 359 M N -0.914 118.697 119.600 0.018 0.000 2.229 359 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 359 M C 2.499 178.803 176.300 0.006 0.000 1.063 359 M CA 1.577 56.894 55.300 0.028 0.000 1.114 359 M CB -1.233 31.402 32.600 0.057 0.000 1.387 359 M HN 0.267 nan 8.290 nan 0.000 0.420 360 A N -0.545 122.279 122.820 0.006 0.000 2.015 360 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 360 A C 2.257 179.836 177.584 -0.009 0.000 1.163 360 A CA 1.873 53.909 52.037 -0.002 0.000 0.646 360 A CB -1.029 17.973 19.000 0.002 0.000 0.806 360 A HN 0.435 nan 8.150 nan 0.000 0.448 361 T N -0.731 113.816 114.554 -0.012 0.000 2.897 361 T HA -0.100 4.250 4.350 -0.000 0.000 0.271 361 T C 1.542 176.231 174.700 -0.019 0.000 1.084 361 T CA 1.804 63.894 62.100 -0.018 0.000 1.123 361 T CB -0.113 68.740 68.868 -0.025 0.000 0.865 361 T HN 0.571 nan 8.240 nan 0.000 0.496 362 E N -0.449 119.741 120.200 -0.017 0.000 2.481 362 E HA 0.318 4.668 4.350 -0.000 0.000 0.198 362 E C 1.211 177.800 176.600 -0.018 0.000 1.027 362 E CA 0.312 56.700 56.400 -0.020 0.000 0.900 362 E CB 0.037 29.725 29.700 -0.020 0.000 0.993 362 E HN 0.365 nan 8.360 nan 0.000 0.482 363 G N 0.093 108.884 108.800 -0.015 0.000 2.147 363 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 363 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 363 G C -0.092 174.799 174.900 -0.016 0.000 1.005 363 G CA 0.382 45.473 45.100 -0.015 0.000 0.713 363 G HN 0.161 nan 8.290 nan 0.000 0.515 364 V N 0.375 120.280 119.914 -0.016 0.000 2.417 364 V HA 0.547 4.667 4.120 -0.000 0.000 0.291 364 V C 0.215 176.293 176.094 -0.028 0.000 1.024 364 V CA -1.027 61.259 62.300 -0.023 0.000 0.861 364 V CB 1.821 33.631 31.823 -0.022 0.000 0.985 364 V HN 0.380 nan 8.190 nan 0.000 0.436 365 N N 5.087 123.764 118.700 -0.038 0.000 2.420 365 N HA 0.322 5.062 4.740 -0.000 0.000 0.249 365 N C -0.874 174.586 175.510 -0.083 0.000 1.033 365 N CA -0.276 52.747 53.050 -0.045 0.000 0.944 365 N CB 0.470 38.934 38.487 -0.038 0.000 1.113 365 N HN 0.478 nan 8.380 nan 0.000 0.502 366 I N 2.416 122.930 120.570 -0.093 0.000 2.392 366 I HA 0.391 4.561 4.170 -0.000 0.000 0.295 366 I C -0.136 175.855 176.117 -0.210 0.000 0.985 366 I CA -0.410 60.772 61.300 -0.196 0.000 1.221 366 I CB 1.441 39.332 38.000 -0.181 0.000 1.366 366 I HN 0.475 nan 8.210 nan 0.000 0.467 367 E N 5.601 125.601 120.200 -0.333 0.000 2.278 367 E HA 0.402 4.752 4.350 -0.000 0.000 0.272 367 E C -1.439 174.947 176.600 -0.356 0.000 0.890 367 E CA -0.494 55.769 56.400 -0.228 0.000 0.770 367 E CB 2.228 31.862 29.700 -0.110 0.000 1.212 367 E HN 0.177 nan 8.360 nan 0.000 0.415 368 F N 1.138 121.060 119.950 -0.045 0.000 2.404 368 F HA 0.295 4.822 4.527 -0.000 0.000 0.339 368 F C 1.431 177.217 175.800 -0.023 0.000 1.105 368 F CA -0.532 57.442 58.000 -0.043 0.000 1.087 368 F CB 1.324 40.304 39.000 -0.034 0.000 1.143 368 F HN 0.167 nan 8.300 nan 0.000 0.491 369 T N -1.693 112.944 114.554 0.139 0.000 2.847 369 T HA 0.210 4.560 4.350 -0.000 0.000 0.279 369 T C 0.666 175.426 174.700 0.100 0.000 0.984 369 T CA -0.662 61.492 62.100 0.088 0.000 0.988 369 T CB 1.124 70.025 68.868 0.054 0.000 1.040 369 T HN 0.493 nan 8.240 nan 0.000 0.528 370 D N 0.626 121.065 120.400 0.065 0.000 2.123 370 D HA -0.060 4.580 4.640 -0.000 0.000 0.196 370 D C 2.278 178.609 176.300 0.052 0.000 0.992 370 D CA 1.504 55.534 54.000 0.051 0.000 0.833 370 D CB -0.322 40.498 40.800 0.033 0.000 0.954 370 D HN 0.536 nan 8.370 nan 0.000 0.455 371 S N -0.663 115.068 115.700 0.053 0.000 2.406 371 S HA -0.018 4.452 4.470 -0.000 0.000 0.228 371 S C 2.047 176.692 174.600 0.074 0.000 1.020 371 S CA 0.902 59.133 58.200 0.053 0.000 0.965 371 S CB -0.331 62.896 63.200 0.045 0.000 0.798 371 S HN 0.403 nan 8.310 nan 0.000 0.488 372 G N 1.562 110.422 108.800 0.101 0.000 2.422 372 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.218 372 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.218 372 G C 1.304 176.284 174.900 0.134 0.000 1.146 372 G CA 0.542 45.727 45.100 0.142 0.000 0.769 372 G HN 0.485 nan 8.290 nan 0.000 0.547 373 I N 0.032 120.664 120.570 0.103 0.000 2.333 373 I HA -0.047 4.123 4.170 -0.000 0.000 0.246 373 I C 2.656 178.798 176.117 0.043 0.000 1.106 373 I CA 0.966 62.289 61.300 0.038 0.000 1.411 373 I CB -0.135 37.862 38.000 -0.005 0.000 1.082 373 I HN 0.126 nan 8.210 nan 0.000 0.420 374 K N 1.036 121.464 120.400 0.046 0.000 2.103 374 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 374 K C 2.254 178.886 176.600 0.053 0.000 1.048 374 K CA 1.518 57.828 56.287 0.038 0.000 0.930 374 K CB 0.039 32.553 32.500 0.024 0.000 0.716 374 K HN 0.069 nan 8.250 nan 0.000 0.444 375 R N 0.198 120.737 120.500 0.066 0.000 2.119 375 R HA 0.118 4.458 4.340 -0.000 0.000 0.222 375 R C 2.095 178.452 176.300 0.095 0.000 1.088 375 R CA 0.723 56.870 56.100 0.077 0.000 0.984 375 R CB 0.014 30.363 30.300 0.083 0.000 0.884 375 R HN 0.208 nan 8.270 nan 0.000 0.447 376 I N -0.105 120.519 120.570 0.090 0.000 2.202 376 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 376 I C 2.311 178.495 176.117 0.111 0.000 1.091 376 I CA 1.286 62.635 61.300 0.082 0.000 1.368 376 I CB -0.345 37.673 38.000 0.031 0.000 1.058 376 I HN 0.233 nan 8.210 nan 0.000 0.410 377 A N 0.351 123.251 122.820 0.133 0.000 1.877 377 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 377 A C 2.196 179.966 177.584 0.310 0.000 1.186 377 A CA 1.792 53.992 52.037 0.273 0.000 0.620 377 A CB -0.651 18.495 19.000 0.244 0.000 0.822 377 A HN 0.394 nan 8.150 nan 0.000 0.443 378 E N -0.384 119.918 120.200 0.170 0.000 2.070 378 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 378 E C 2.299 179.021 176.600 0.204 0.000 1.004 378 E CA 1.340 57.822 56.400 0.137 0.000 0.805 378 E CB -0.297 29.446 29.700 0.071 0.000 0.744 378 E HN 0.611 nan 8.360 nan 0.000 0.451 379 A N 1.022 123.946 122.820 0.173 0.000 1.883 379 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 379 A C 2.382 180.085 177.584 0.198 0.000 1.186 379 A CA 1.990 54.122 52.037 0.159 0.000 0.624 379 A CB -0.926 18.146 19.000 0.120 0.000 0.822 379 A HN 0.354 nan 8.150 nan 0.000 0.444 380 A N -1.248 121.721 122.820 0.248 0.000 1.883 380 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 380 A C 2.123 179.951 177.584 0.406 0.000 1.186 380 A CA 1.597 53.812 52.037 0.297 0.000 0.624 380 A CB -0.981 18.192 19.000 0.289 0.000 0.822 380 A HN 0.896 nan 8.150 nan 0.000 0.444 381 W N 0.625 122.074 121.300 0.248 0.000 2.363 381 W HA -0.202 4.458 4.660 -0.000 0.000 0.296 381 W C 1.958 178.491 176.519 0.024 0.000 1.212 381 W CA 2.267 59.624 57.345 0.020 0.000 1.260 381 W CB -0.360 28.993 29.460 -0.180 0.000 1.131 381 W HN 0.486 nan 8.180 nan 0.000 0.530 382 Q N 0.783 120.751 119.800 0.279 0.000 2.084 382 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 382 Q C 2.098 178.124 176.000 0.043 0.000 0.978 382 Q CA 2.693 58.596 55.803 0.166 0.000 0.844 382 Q CB -0.820 28.016 28.738 0.163 0.000 0.898 382 Q HN 0.155 nan 8.270 nan 0.000 0.426 383 V N 0.731 120.675 119.914 0.050 0.000 2.453 383 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 383 V C 1.789 177.859 176.094 -0.041 0.000 1.048 383 V CA 1.929 64.240 62.300 0.017 0.000 1.049 383 V CB -0.743 31.103 31.823 0.038 0.000 0.672 383 V HN 0.441 nan 8.190 nan 0.000 0.457 384 N N -0.397 118.252 118.700 -0.085 0.000 2.309 384 N HA -0.162 4.578 4.740 -0.000 0.000 0.182 384 N C 1.948 177.302 175.510 -0.260 0.000 1.018 384 N CA 0.797 53.746 53.050 -0.169 0.000 0.876 384 N CB 0.040 38.404 38.487 -0.206 0.000 0.972 384 N HN 0.393 nan 8.380 nan 0.000 0.434 385 E N 0.414 120.422 120.200 -0.319 0.000 2.140 385 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 385 E C 1.974 178.504 176.600 -0.117 0.000 0.973 385 E CA 0.325 56.565 56.400 -0.267 0.000 0.829 385 E CB -0.075 29.468 29.700 -0.261 0.000 0.781 385 E HN 0.147 nan 8.360 nan 0.000 0.466 386 S N -0.006 115.651 115.700 -0.072 0.000 2.356 386 S HA -0.118 4.352 4.470 -0.000 0.000 0.223 386 S C 1.803 176.386 174.600 -0.028 0.000 1.032 386 S CA 2.258 60.442 58.200 -0.026 0.000 1.005 386 S CB -0.244 62.957 63.200 0.001 0.000 0.867 386 S HN 0.442 nan 8.310 nan 0.000 0.449 387 T N -1.156 113.376 114.554 -0.036 0.000 1.878 387 T HA 0.477 4.827 4.350 -0.000 0.000 0.182 387 T C -0.480 174.191 174.700 -0.048 0.000 0.686 387 T CA -0.509 61.573 62.100 -0.030 0.000 1.483 387 T CB -0.344 68.515 68.868 -0.015 0.000 3.294 387 T HN 0.152 nan 8.240 nan 0.000 0.405 388 E N 1.901 122.074 120.200 -0.046 0.000 2.174 388 E HA 0.393 4.743 4.350 -0.000 0.000 0.282 388 E C -0.887 175.675 176.600 -0.063 0.000 0.992 388 E CA -0.233 56.136 56.400 -0.052 0.000 0.803 388 E CB 0.943 30.618 29.700 -0.043 0.000 1.090 388 E HN 0.572 nan 8.360 nan 0.000 0.396 389 N N 3.832 122.485 118.700 -0.079 0.000 2.421 389 N HA 0.069 4.809 4.740 -0.000 0.000 0.260 389 N C 0.382 175.864 175.510 -0.047 0.000 1.173 389 N CA -0.071 52.923 53.050 -0.093 0.000 0.960 389 N CB 0.184 38.590 38.487 -0.134 0.000 1.273 389 N HN 0.545 nan 8.380 nan 0.000 0.497 390 I N 1.165 121.720 120.570 -0.025 0.000 3.858 390 I HA 0.450 4.619 4.170 -0.000 0.000 0.325 390 I C 0.975 177.100 176.117 0.012 0.000 1.403 390 I CA -0.478 60.818 61.300 -0.008 0.000 1.169 390 I CB -0.506 37.487 38.000 -0.012 0.000 1.077 390 I HN 0.577 nan 8.210 nan 0.000 0.403 391 G N 2.014 110.841 108.800 0.045 0.000 2.552 391 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.265 391 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.265 391 G C 0.807 175.761 174.900 0.090 0.000 1.234 391 G CA 0.500 45.667 45.100 0.112 0.000 0.944 391 G HN 0.700 nan 8.290 nan 0.000 0.568 392 A N -0.614 122.204 122.820 -0.004 0.000 2.070 392 A HA 0.044 4.364 4.320 -0.000 0.000 0.220 392 A C 2.397 179.711 177.584 -0.452 0.000 1.159 392 A CA 2.098 53.935 52.037 -0.333 0.000 0.656 392 A CB -0.399 18.471 19.000 -0.217 0.000 0.800 392 A HN 0.694 nan 8.150 nan 0.000 0.453 393 R N -0.958 119.401 120.500 -0.235 0.000 2.133 393 R HA -0.224 4.116 4.340 -0.000 0.000 0.247 393 R C 2.318 178.449 176.300 -0.282 0.000 1.151 393 R CA 1.746 57.727 56.100 -0.198 0.000 0.971 393 R CB -0.245 30.044 30.300 -0.019 0.000 0.866 393 R HN 0.451 nan 8.270 nan 0.000 0.447 394 R N 1.052 121.421 120.500 -0.220 0.000 2.159 394 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 394 R C 1.912 178.075 176.300 -0.228 0.000 1.131 394 R CA 1.262 57.272 56.100 -0.151 0.000 0.982 394 R CB -0.469 29.807 30.300 -0.041 0.000 0.868 394 R HN 0.245 nan 8.270 nan 0.000 0.453 395 L N -0.625 120.315 121.223 -0.471 0.000 2.083 395 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 395 L C 2.195 178.930 176.870 -0.225 0.000 1.083 395 L CA 1.253 55.847 54.840 -0.411 0.000 0.752 395 L CB -0.645 41.069 42.059 -0.575 0.000 0.899 395 L HN 0.352 nan 8.230 nan 0.000 0.433 396 H N -0.548 118.473 119.070 -0.081 0.000 2.353 396 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 396 H C 2.492 177.826 175.328 0.011 0.000 1.090 396 H CA 2.038 58.074 56.048 -0.020 0.000 1.327 396 H CB -0.929 28.824 29.762 -0.015 0.000 1.383 396 H HN 0.440 nan 8.280 nan 0.000 0.508 397 T N -0.900 113.712 114.554 0.097 0.000 2.737 397 T HA -0.065 4.285 4.350 -0.000 0.000 0.265 397 T C 2.330 177.064 174.700 0.058 0.000 1.038 397 T CA 1.305 63.450 62.100 0.076 0.000 1.144 397 T CB -0.929 67.970 68.868 0.051 0.000 0.866 397 T HN 0.075 nan 8.240 nan 0.000 0.434 398 V N 1.841 121.773 119.914 0.029 0.000 2.261 398 V HA -0.088 4.032 4.120 -0.000 0.000 0.246 398 V C 2.640 178.753 176.094 0.031 0.000 1.047 398 V CA 1.742 64.063 62.300 0.035 0.000 1.015 398 V CB -0.972 30.869 31.823 0.031 0.000 0.642 398 V HN 0.391 nan 8.190 nan 0.000 0.446 399 L N 0.153 121.381 121.223 0.009 0.000 2.081 399 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 399 L C 2.451 179.304 176.870 -0.028 0.000 1.080 399 L CA 1.969 56.791 54.840 -0.029 0.000 0.754 399 L CB -0.802 41.236 42.059 -0.035 0.000 0.893 399 L HN 0.310 nan 8.230 nan 0.000 0.433 400 E N -0.585 119.661 120.200 0.077 0.000 2.107 400 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 400 E C 2.324 178.981 176.600 0.094 0.000 0.982 400 E CA 0.841 57.323 56.400 0.137 0.000 0.809 400 E CB -0.229 29.573 29.700 0.170 0.000 0.756 400 E HN 0.369 nan 8.360 nan 0.000 0.459 401 R N 1.261 121.805 120.500 0.074 0.000 2.092 401 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 401 R C 2.237 178.573 176.300 0.060 0.000 1.119 401 R CA 0.840 56.983 56.100 0.071 0.000 0.970 401 R CB -0.873 29.470 30.300 0.071 0.000 0.864 401 R HN 0.177 nan 8.270 nan 0.000 0.440 402 L N -0.336 120.913 121.223 0.044 0.000 2.083 402 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 402 L C 1.579 178.435 176.870 -0.023 0.000 1.083 402 L CA 1.755 56.616 54.840 0.034 0.000 0.752 402 L CB -0.205 41.892 42.059 0.064 0.000 0.899 402 L HN 0.229 nan 8.230 nan 0.000 0.433 403 M N -1.514 118.055 119.600 -0.052 0.000 2.502 403 M HA 0.031 4.511 4.480 -0.000 0.000 0.243 403 M C 1.845 178.188 176.300 0.073 0.000 1.130 403 M CA 0.374 55.642 55.300 -0.054 0.000 1.055 403 M CB -0.507 31.926 32.600 -0.279 0.000 1.457 403 M HN 0.242 nan 8.290 nan 0.000 0.488 404 E N 1.605 121.856 120.200 0.085 0.000 2.169 404 E HA -0.219 4.131 4.350 -0.000 0.000 0.202 404 E C 1.785 178.458 176.600 0.121 0.000 1.016 404 E CA 1.774 58.242 56.400 0.113 0.000 0.817 404 E CB 0.177 29.927 29.700 0.084 0.000 0.736 404 E HN 0.460 nan 8.360 nan 0.000 0.462 405 E N -0.187 120.066 120.200 0.088 0.000 2.015 405 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 405 E C 2.194 178.887 176.600 0.155 0.000 0.991 405 E CA 1.180 57.650 56.400 0.116 0.000 0.802 405 E CB -0.199 29.560 29.700 0.098 0.000 0.759 405 E HN 0.359 nan 8.360 nan 0.000 0.447 406 I N 1.170 121.814 120.570 0.123 0.000 2.142 406 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 406 I C 2.680 178.875 176.117 0.129 0.000 1.078 406 I CA 1.008 62.368 61.300 0.101 0.000 1.343 406 I CB -1.489 36.527 38.000 0.026 0.000 1.046 406 I HN 0.060 nan 8.210 nan 0.000 0.405 407 S N -0.127 115.674 115.700 0.169 0.000 2.400 407 S HA -0.292 4.178 4.470 -0.000 0.000 0.234 407 S C 2.144 176.843 174.600 0.165 0.000 1.049 407 S CA 1.841 60.152 58.200 0.185 0.000 1.039 407 S CB -0.471 62.871 63.200 0.238 0.000 0.856 407 S HN 0.504 nan 8.310 nan 0.000 0.465 408 Y N 1.347 121.685 120.300 0.063 0.000 2.231 408 Y HA 0.061 4.611 4.550 -0.000 0.000 0.294 408 Y C 1.956 177.879 175.900 0.038 0.000 1.120 408 Y CA 1.617 59.745 58.100 0.047 0.000 1.141 408 Y CB -0.268 38.221 38.460 0.047 0.000 1.022 408 Y HN 0.228 nan 8.280 nan 0.000 0.523 409 D N 0.223 120.713 120.400 0.150 0.000 2.277 409 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 409 D C 2.234 178.530 176.300 -0.007 0.000 0.962 409 D CA 0.937 54.971 54.000 0.057 0.000 0.865 409 D CB -0.455 40.421 40.800 0.128 0.000 0.939 409 D HN 0.453 nan 8.370 nan 0.000 0.510 410 A N 1.088 123.911 122.820 0.005 0.000 1.916 410 A HA -0.362 3.958 4.320 -0.000 0.000 0.224 410 A C 2.412 179.978 177.584 -0.029 0.000 1.366 410 A CA 2.897 54.930 52.037 -0.006 0.000 0.692 410 A CB -1.065 17.936 19.000 0.002 0.000 0.841 410 A HN 0.296 nan 8.150 nan 0.000 0.480 411 S N 0.172 115.837 115.700 -0.059 0.000 2.365 411 S HA -0.187 4.283 4.470 -0.000 0.000 0.225 411 S C 1.240 175.813 174.600 -0.045 0.000 1.039 411 S CA 1.688 59.852 58.200 -0.060 0.000 1.033 411 S CB -0.629 62.517 63.200 -0.090 0.000 0.887 411 S HN 0.690 nan 8.310 nan 0.000 0.447 412 D N 0.199 120.570 120.400 -0.047 0.000 2.336 412 D HA 0.174 4.814 4.640 -0.000 0.000 0.229 412 D C 0.573 176.868 176.300 -0.009 0.000 1.061 412 D CA 0.224 54.209 54.000 -0.025 0.000 0.875 412 D CB 0.088 40.876 40.800 -0.020 0.000 0.904 412 D HN 0.162 nan 8.370 nan 0.000 0.525 413 L N -0.391 120.825 121.223 -0.010 0.000 3.016 413 L HA 0.211 4.551 4.340 -0.000 0.000 0.267 413 L C 0.480 177.344 176.870 -0.010 0.000 1.182 413 L CA -0.038 54.800 54.840 -0.004 0.000 0.997 413 L CB 0.270 42.331 42.059 0.003 0.000 1.354 413 L HN -0.214 nan 8.230 nan 0.000 0.569 414 S N -0.208 115.484 115.700 -0.014 0.000 2.561 414 S HA 0.299 4.769 4.470 -0.000 0.000 0.294 414 S C 1.521 176.113 174.600 -0.013 0.000 1.294 414 S CA 1.040 59.231 58.200 -0.015 0.000 1.055 414 S CB 0.110 63.300 63.200 -0.017 0.000 0.819 414 S HN 0.820 nan 8.310 nan 0.000 0.503 415 G N 3.049 111.840 108.800 -0.014 0.000 2.159 415 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.256 415 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.256 415 G C -0.054 174.837 174.900 -0.015 0.000 0.977 415 G CA 0.549 45.641 45.100 -0.013 0.000 0.652 415 G HN 0.769 nan 8.290 nan 0.000 0.531 416 Q N -0.314 119.475 119.800 -0.018 0.000 2.215 416 Q HA 0.500 4.840 4.340 -0.000 0.000 0.256 416 Q C -0.492 175.488 176.000 -0.032 0.000 0.972 416 Q CA -0.881 54.909 55.803 -0.021 0.000 0.889 416 Q CB 0.862 29.589 28.738 -0.017 0.000 1.281 416 Q HN 0.175 nan 8.270 nan 0.000 0.456 417 N N 1.744 120.422 118.700 -0.036 0.000 2.955 417 N HA 0.255 4.995 4.740 -0.000 0.000 0.242 417 N C -1.043 174.424 175.510 -0.073 0.000 1.123 417 N CA -0.159 52.860 53.050 -0.052 0.000 0.949 417 N CB 0.477 38.939 38.487 -0.041 0.000 1.214 417 N HN 0.393 nan 8.380 nan 0.000 0.504 418 I N 0.741 121.250 120.570 -0.102 0.000 2.519 418 I HA 0.090 4.260 4.170 -0.000 0.000 0.287 418 I C 1.050 177.037 176.117 -0.218 0.000 1.047 418 I CA 0.124 61.334 61.300 -0.149 0.000 1.381 418 I CB 1.218 39.112 38.000 -0.176 0.000 1.417 418 I HN 0.148 nan 8.210 nan 0.000 0.540 419 T N 7.008 121.421 114.554 -0.234 0.000 2.841 419 T HA 0.533 4.883 4.350 -0.000 0.000 0.285 419 T C -0.679 173.810 174.700 -0.352 0.000 0.991 419 T CA -0.713 61.234 62.100 -0.256 0.000 0.966 419 T CB 0.283 69.072 68.868 -0.133 0.000 0.962 419 T HN 0.216 nan 8.240 nan 0.000 0.438 420 I N 6.340 126.628 120.570 -0.471 0.000 2.287 420 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 420 I C 0.131 176.182 176.117 -0.111 0.000 1.069 420 I CA -0.709 60.322 61.300 -0.450 0.000 1.237 420 I CB -0.160 37.438 38.000 -0.669 0.000 1.418 420 I HN 0.723 nan 8.210 nan 0.000 0.481 421 D N 4.353 124.763 120.400 0.017 0.000 2.525 421 D HA 0.561 5.201 4.640 -0.000 0.000 0.249 421 D C 1.033 177.416 176.300 0.139 0.000 1.072 421 D CA -0.695 53.353 54.000 0.080 0.000 1.067 421 D CB 0.783 41.617 40.800 0.056 0.000 1.282 421 D HN 0.256 nan 8.370 nan 0.000 0.587 422 A N 0.050 122.936 122.820 0.109 0.000 1.927 422 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 422 A C 1.531 179.185 177.584 0.116 0.000 1.185 422 A CA 2.396 54.496 52.037 0.105 0.000 0.639 422 A CB -1.153 17.890 19.000 0.072 0.000 0.820 422 A HN 0.638 nan 8.150 nan 0.000 0.451 423 D N -2.016 118.450 120.400 0.110 0.000 2.087 423 D HA -0.176 4.464 4.640 -0.000 0.000 0.192 423 D C 1.742 178.121 176.300 0.133 0.000 0.993 423 D CA 1.764 55.823 54.000 0.098 0.000 0.828 423 D CB -0.439 40.413 40.800 0.087 0.000 0.968 423 D HN 0.581 nan 8.370 nan 0.000 0.448 424 Y N 1.227 121.575 120.300 0.080 0.000 2.097 424 Y HA -0.274 4.276 4.550 -0.000 0.000 0.282 424 Y C 2.232 178.269 175.900 0.228 0.000 1.152 424 Y CA 1.318 59.513 58.100 0.159 0.000 1.136 424 Y CB -0.588 37.934 38.460 0.103 0.000 0.975 424 Y HN -0.163 nan 8.280 nan 0.000 0.498 425 V N -0.540 119.607 119.914 0.389 0.000 2.219 425 V HA -0.400 3.720 4.120 -0.000 0.000 0.248 425 V C 2.450 178.640 176.094 0.160 0.000 1.053 425 V CA 2.381 64.848 62.300 0.280 0.000 1.009 425 V CB -1.272 30.679 31.823 0.213 0.000 0.636 425 V HN 0.437 nan 8.190 nan 0.000 0.445 426 S N -0.999 114.764 115.700 0.106 0.000 2.402 426 S HA -0.289 4.181 4.470 -0.000 0.000 0.233 426 S C 2.005 176.600 174.600 -0.008 0.000 1.030 426 S CA 1.983 60.213 58.200 0.050 0.000 1.003 426 S CB -0.378 62.845 63.200 0.038 0.000 0.813 426 S HN 0.606 nan 8.310 nan 0.000 0.477 427 K N 0.045 120.407 120.400 -0.064 0.000 2.217 427 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 427 K C 1.570 177.964 176.600 -0.343 0.000 1.051 427 K CA 1.062 57.215 56.287 -0.222 0.000 0.952 427 K CB -0.030 32.270 32.500 -0.333 0.000 0.736 427 K HN 0.472 nan 8.250 nan 0.000 0.453 428 H N -0.842 118.144 119.070 -0.140 0.000 2.595 428 H HA 0.110 4.666 4.556 -0.000 0.000 0.265 428 H C 1.591 176.900 175.328 -0.031 0.000 0.953 428 H CA 0.615 56.596 56.048 -0.112 0.000 1.197 428 H CB 0.704 30.375 29.762 -0.152 0.000 1.438 428 H HN 0.167 nan 8.280 nan 0.000 0.531 429 L N -0.490 120.788 121.223 0.092 0.000 2.624 429 L HA 0.050 4.390 4.340 -0.000 0.000 0.222 429 L C 1.767 178.667 176.870 0.049 0.000 1.046 429 L CA 0.044 54.931 54.840 0.078 0.000 0.872 429 L CB 0.227 42.343 42.059 0.095 0.000 1.190 429 L HN -0.106 nan 8.230 nan 0.000 0.487 430 D N 1.491 121.912 120.400 0.035 0.000 2.154 430 D HA -0.255 4.385 4.640 -0.000 0.000 0.190 430 D C 2.171 178.482 176.300 0.017 0.000 1.003 430 D CA 1.970 55.985 54.000 0.026 0.000 0.849 430 D CB -0.096 40.712 40.800 0.013 0.000 0.942 430 D HN 0.310 nan 8.370 nan 0.000 0.446 431 A N 0.134 122.954 122.820 0.001 0.000 1.883 431 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 431 A C 2.223 179.813 177.584 0.011 0.000 1.186 431 A CA 1.452 53.487 52.037 -0.002 0.000 0.624 431 A CB -0.780 18.208 19.000 -0.019 0.000 0.822 431 A HN 0.175 nan 8.150 nan 0.000 0.444 432 L N -0.526 120.708 121.223 0.019 0.000 1.994 432 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 432 L C 2.567 179.461 176.870 0.040 0.000 1.071 432 L CA 1.561 56.420 54.840 0.032 0.000 0.745 432 L CB -1.128 40.956 42.059 0.043 0.000 0.892 432 L HN 0.185 nan 8.230 nan 0.000 0.431 433 V N 0.036 119.978 119.914 0.045 0.000 2.332 433 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 433 V C 2.737 178.857 176.094 0.043 0.000 1.055 433 V CA 1.828 64.159 62.300 0.051 0.000 1.038 433 V CB -1.250 30.610 31.823 0.061 0.000 0.651 433 V HN 0.521 nan 8.190 nan 0.000 0.450 434 A N -0.463 122.378 122.820 0.035 0.000 1.933 434 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 434 A C 1.418 179.018 177.584 0.026 0.000 1.175 434 A CA 1.455 53.509 52.037 0.029 0.000 0.628 434 A CB -0.425 18.588 19.000 0.021 0.000 0.814 434 A HN 0.541 nan 8.150 nan 0.000 0.444 435 D N -0.136 120.278 120.400 0.025 0.000 2.374 435 D HA 0.210 4.850 4.640 -0.000 0.000 0.240 435 D C 0.939 177.261 176.300 0.036 0.000 1.229 435 D CA -0.053 53.961 54.000 0.023 0.000 0.895 435 D CB 0.447 41.256 40.800 0.015 0.000 1.046 435 D HN 0.435 nan 8.370 nan 0.000 0.498 436 E N 2.298 122.520 120.200 0.036 0.000 2.012 436 E HA -0.242 4.108 4.350 -0.000 0.000 0.197 436 E C 1.020 177.662 176.600 0.068 0.000 1.007 436 E CA 1.371 57.798 56.400 0.044 0.000 0.816 436 E CB 0.088 29.808 29.700 0.034 0.000 0.762 436 E HN 0.589 nan 8.360 nan 0.000 0.451 437 D N 0.490 120.933 120.400 0.072 0.000 2.158 437 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 437 D C 1.999 178.410 176.300 0.185 0.000 0.995 437 D CA 0.793 54.867 54.000 0.124 0.000 0.846 437 D CB -0.114 40.739 40.800 0.089 0.000 0.941 437 D HN 0.083 nan 8.370 nan 0.000 0.456 438 L N -0.367 120.915 121.223 0.098 0.000 2.191 438 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 438 L C 2.129 179.092 176.870 0.154 0.000 1.103 438 L CA 0.885 55.780 54.840 0.091 0.000 0.769 438 L CB -0.148 41.928 42.059 0.029 0.000 0.908 438 L HN 0.047 nan 8.230 nan 0.000 0.438 439 S N -0.390 115.383 115.700 0.122 0.000 2.406 439 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 439 S C 1.781 176.442 174.600 0.103 0.000 1.020 439 S CA 0.798 59.057 58.200 0.099 0.000 0.965 439 S CB -0.106 63.133 63.200 0.064 0.000 0.798 439 S HN 0.446 nan 8.310 nan 0.000 0.488 440 R N -0.680 119.894 120.500 0.123 0.000 2.328 440 R HA 0.061 4.401 4.340 -0.000 0.000 0.207 440 R C 1.022 177.276 176.300 -0.078 0.000 1.056 440 R CA 0.805 56.919 56.100 0.025 0.000 1.016 440 R CB -0.132 30.175 30.300 0.011 0.000 0.872 440 R HN 0.399 nan 8.270 nan 0.000 0.471 441 F N -1.045 118.909 119.950 0.007 0.000 2.532 441 F HA 0.113 4.640 4.527 -0.000 0.000 0.278 441 F C 1.882 177.690 175.800 0.012 0.000 0.975 441 F CA 0.094 58.099 58.000 0.008 0.000 1.292 441 F CB 0.208 39.212 39.000 0.007 0.000 1.112 441 F HN -0.173 nan 8.300 nan 0.000 0.703 442 I N 0.225 120.934 120.570 0.232 0.000 3.226 442 I HA 0.120 4.290 4.170 -0.000 0.000 0.277 442 I C 0.393 176.564 176.117 0.091 0.000 1.243 442 I CA 0.938 62.319 61.300 0.136 0.000 1.459 442 I CB -0.882 37.185 38.000 0.110 0.000 1.093 442 I HN -0.015 nan 8.210 nan 0.000 0.453 443 L N 0.000 121.270 121.223 0.078 0.000 2.949 443 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 443 L CA 0.000 54.874 54.840 0.058 0.000 0.813 443 L CB 0.000 42.093 42.059 0.058 0.000 0.961 443 L HN 0.000 nan 8.230 nan 0.000 0.502