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 1gqt_1_A DATA FIRST_RESID 4 DATA SEQUENCE AGSLVVLGSI NADHILNLQS FPTPGETVTG NHYQVAFGGK GANQAVAAGR DATA SEQUENCE SGANIAFIAC TGDDSIGESV RQQLATDNID ITPVSVIKGE STGVALIFVN DATA SEQUENCE GEGENVIGIH AGANAALSPA LVEAQRERIA NASALLMQLE SPLESVMAAA DATA SEQUENCE KIAHQNKTIV ALNPAPAREL PDELLALVDI ITPNETEAEK LTGIRVENDE DATA SEQUENCE DAAKAAQVLH EKGIRTVLIT LGSRGVWASV NGEGQRVPGF RVQAVDTIAA DATA SEQUENCE GDTFNGALIT ALLEEKPLPE AIRFAHAAAA IAVTRKGAQP SVPWREEIDA DATA SEQUENCE FLDRQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.568 177.584 -0.026 0.000 1.274 4 A CA 0.000 52.019 52.037 -0.031 0.000 0.836 4 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 5 G N -0.189 108.593 108.800 -0.030 0.000 2.732 5 G HA2 0.479 4.438 3.960 -0.000 0.000 0.244 5 G HA3 0.479 4.438 3.960 -0.000 0.000 0.244 5 G C 0.264 175.151 174.900 -0.022 0.000 1.226 5 G CA 0.791 45.876 45.100 -0.025 0.000 0.860 5 G HN 1.569 nan 8.290 nan 0.000 0.583 6 S N -0.916 114.775 115.700 -0.016 0.000 2.454 6 S HA 0.522 4.992 4.470 -0.000 0.000 0.306 6 S C -0.856 173.739 174.600 -0.008 0.000 1.100 6 S CA -0.701 57.493 58.200 -0.010 0.000 1.087 6 S CB 1.079 64.276 63.200 -0.005 0.000 1.019 6 S HN 0.576 nan 8.310 nan 0.000 0.480 7 L N 6.191 127.410 121.223 -0.007 0.000 2.333 7 L HA 0.707 5.046 4.340 -0.000 0.000 0.280 7 L C -1.223 175.653 176.870 0.010 0.000 1.004 7 L CA -0.417 54.419 54.840 -0.005 0.000 0.820 7 L CB 1.694 43.742 42.059 -0.019 0.000 1.247 7 L HN 0.465 nan 8.230 nan 0.000 0.416 8 V N 5.966 125.892 119.914 0.021 0.000 2.384 8 V HA 0.517 4.637 4.120 -0.000 0.000 0.287 8 V C -0.188 175.942 176.094 0.060 0.000 1.020 8 V CA -0.640 61.687 62.300 0.046 0.000 0.850 8 V CB 1.707 33.556 31.823 0.043 0.000 0.987 8 V HN 0.552 nan 8.190 nan 0.000 0.436 9 V N 6.337 126.311 119.914 0.101 0.000 2.532 9 V HA 0.579 4.699 4.120 -0.000 0.000 0.295 9 V C -0.296 175.966 176.094 0.281 0.000 1.041 9 V CA -0.606 61.771 62.300 0.128 0.000 0.926 9 V CB 1.862 33.691 31.823 0.011 0.000 0.992 9 V HN 0.725 nan 8.190 nan 0.000 0.457 10 L N 3.790 125.150 121.223 0.228 0.000 2.476 10 L HA 0.930 5.269 4.340 -0.000 0.000 0.269 10 L C -0.209 176.771 176.870 0.182 0.000 0.965 10 L CA 0.341 55.286 54.840 0.176 0.000 0.845 10 L CB 1.558 43.661 42.059 0.073 0.000 1.259 10 L HN 0.858 nan 8.230 nan 0.000 0.403 11 G N 1.738 110.650 108.800 0.187 0.000 2.325 11 G HA2 0.339 4.299 3.960 -0.000 0.000 0.295 11 G HA3 0.339 4.299 3.960 -0.000 0.000 0.295 11 G C -1.486 173.493 174.900 0.131 0.000 1.274 11 G CA -0.067 45.138 45.100 0.174 0.000 0.857 11 G HN 0.754 nan 8.290 nan 0.000 0.499 12 S N -1.161 114.620 115.700 0.136 0.000 2.672 12 S HA 0.806 5.275 4.470 -0.000 0.000 0.276 12 S C -0.261 174.435 174.600 0.161 0.000 1.207 12 S CA -0.577 57.675 58.200 0.087 0.000 1.002 12 S CB 1.541 64.773 63.200 0.053 0.000 0.998 12 S HN 0.669 nan 8.310 nan 0.000 0.542 13 I N 1.928 122.552 120.570 0.090 0.000 2.466 13 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 13 I C -0.817 175.356 176.117 0.092 0.000 1.026 13 I CA -0.654 60.714 61.300 0.113 0.000 1.078 13 I CB 1.744 39.785 38.000 0.068 0.000 1.249 13 I HN 0.606 nan 8.210 nan 0.000 0.429 14 N N 3.864 122.638 118.700 0.124 0.000 2.312 14 N HA 0.663 5.403 4.740 -0.000 0.000 0.296 14 N C -0.878 174.759 175.510 0.211 0.000 1.193 14 N CA -0.649 52.485 53.050 0.140 0.000 0.773 14 N CB 2.414 40.968 38.487 0.113 0.000 1.435 14 N HN 0.575 nan 8.380 nan 0.000 0.484 15 A N 0.636 123.589 122.820 0.221 0.000 2.260 15 A HA 0.378 4.697 4.320 -0.000 0.000 0.308 15 A C -0.770 176.914 177.584 0.166 0.000 1.254 15 A CA -0.484 51.669 52.037 0.193 0.000 0.874 15 A CB 0.032 19.155 19.000 0.205 0.000 1.153 15 A HN 0.458 nan 8.150 nan 0.000 0.527 16 D N 1.942 122.366 120.400 0.040 0.000 2.249 16 D HA 0.286 4.925 4.640 -0.000 0.000 0.246 16 D C -0.283 175.965 176.300 -0.087 0.000 1.114 16 D CA 0.498 54.525 54.000 0.046 0.000 0.854 16 D CB 0.509 41.308 40.800 -0.002 0.000 1.132 16 D HN 0.551 nan 8.370 nan 0.000 0.461 17 H N 2.710 121.776 119.070 -0.006 0.000 2.541 17 H HA 0.411 4.967 4.556 -0.000 0.000 0.316 17 H C -0.123 175.244 175.328 0.065 0.000 1.043 17 H CA -0.469 55.591 56.048 0.019 0.000 1.232 17 H CB 1.273 31.119 29.762 0.141 0.000 1.406 17 H HN 0.217 nan 8.280 nan 0.000 0.469 18 I N 4.615 125.244 120.570 0.097 0.000 2.389 18 I HA 0.112 4.282 4.170 -0.000 0.000 0.288 18 I C -0.740 175.557 176.117 0.299 0.000 0.999 18 I CA -0.730 60.663 61.300 0.155 0.000 1.129 18 I CB 1.902 39.935 38.000 0.056 0.000 1.288 18 I HN 0.221 nan 8.210 nan 0.000 0.444 19 L N 6.904 128.362 121.223 0.391 0.000 2.319 19 L HA 0.479 4.819 4.340 -0.000 0.000 0.281 19 L C -0.663 176.399 176.870 0.321 0.000 1.005 19 L CA -0.176 54.917 54.840 0.421 0.000 0.828 19 L CB 1.063 43.416 42.059 0.490 0.000 1.227 19 L HN 0.441 nan 8.230 nan 0.000 0.415 20 N N 4.820 123.662 118.700 0.238 0.000 2.458 20 N HA 0.616 5.356 4.740 -0.000 0.000 0.270 20 N C -1.020 174.551 175.510 0.101 0.000 1.102 20 N CA -0.161 52.984 53.050 0.159 0.000 0.967 20 N CB 0.804 39.378 38.487 0.145 0.000 1.078 20 N HN 0.465 nan 8.380 nan 0.000 0.471 21 L N -0.452 120.784 121.223 0.022 0.000 2.301 21 L HA 0.512 4.852 4.340 -0.000 0.000 0.249 21 L C 0.848 177.656 176.870 -0.103 0.000 1.069 21 L CA -0.858 53.952 54.840 -0.050 0.000 0.865 21 L CB 0.908 42.901 42.059 -0.111 0.000 1.467 21 L HN 0.343 nan 8.230 nan 0.000 0.419 22 Q N -0.472 119.263 119.800 -0.108 0.000 2.008 22 Q HA 0.199 4.539 4.340 -0.000 0.000 0.196 22 Q C -0.010 175.873 176.000 -0.195 0.000 0.973 22 Q CA 1.184 56.916 55.803 -0.118 0.000 0.826 22 Q CB -0.025 28.664 28.738 -0.082 0.000 0.894 22 Q HN 0.681 nan 8.270 nan 0.000 0.439 23 S N -0.303 115.281 115.700 -0.194 0.000 2.536 23 S HA 0.429 4.899 4.470 -0.000 0.000 0.298 23 S C -0.881 173.589 174.600 -0.215 0.000 1.083 23 S CA -0.785 57.277 58.200 -0.230 0.000 0.995 23 S CB 0.724 63.860 63.200 -0.107 0.000 1.058 23 S HN 0.084 nan 8.310 nan 0.000 0.488 24 F N 3.847 123.762 119.950 -0.059 0.000 2.607 24 F HA 0.188 4.714 4.527 -0.000 0.000 0.374 24 F C -1.549 174.187 175.800 -0.107 0.000 1.104 24 F CA -1.636 56.311 58.000 -0.088 0.000 1.296 24 F CB -0.490 38.513 39.000 0.005 0.000 1.085 24 F HN 0.286 nan 8.300 nan 0.000 0.584 25 P HA 0.067 nan 4.420 nan 0.000 0.267 25 P C -0.189 177.143 177.300 0.054 0.000 1.200 25 P CA -0.192 62.902 63.100 -0.010 0.000 0.772 25 P CB 0.436 32.090 31.700 -0.077 0.000 0.855 26 T N -0.486 114.090 114.554 0.037 0.000 2.936 26 T HA 0.526 4.876 4.350 -0.000 0.000 0.282 26 T C -2.636 172.082 174.700 0.029 0.000 1.003 26 T CA -2.655 59.469 62.100 0.040 0.000 1.005 26 T CB 0.212 69.100 68.868 0.033 0.000 1.097 26 T HN 0.101 nan 8.240 nan 0.000 0.532 27 P HA 0.251 nan 4.420 nan 0.000 0.262 27 P C 1.142 178.453 177.300 0.017 0.000 1.182 27 P CA 1.279 64.394 63.100 0.024 0.000 0.761 27 P CB -0.003 31.709 31.700 0.019 0.000 0.795 28 G N 1.437 110.248 108.800 0.018 0.000 2.184 28 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.264 28 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.264 28 G C 0.244 175.149 174.900 0.008 0.000 0.975 28 G CA 0.250 45.357 45.100 0.012 0.000 0.642 28 G HN 0.619 nan 8.290 nan 0.000 0.536 29 E N -0.055 120.149 120.200 0.007 0.000 2.280 29 E HA 0.676 5.025 4.350 -0.000 0.000 0.264 29 E C -0.539 176.054 176.600 -0.012 0.000 1.064 29 E CA -0.220 56.177 56.400 -0.004 0.000 0.900 29 E CB 0.986 30.683 29.700 -0.006 0.000 1.123 29 E HN 0.072 nan 8.360 nan 0.000 0.418 30 T N 1.545 116.084 114.554 -0.025 0.000 2.928 30 T HA 0.405 4.755 4.350 -0.000 0.000 0.296 30 T C -1.102 173.564 174.700 -0.056 0.000 1.000 30 T CA -0.695 61.383 62.100 -0.036 0.000 0.989 30 T CB 1.075 69.928 68.868 -0.024 0.000 1.005 30 T HN 0.373 nan 8.240 nan 0.000 0.442 31 V N 0.918 120.778 119.914 -0.091 0.000 2.864 31 V HA 0.851 4.971 4.120 -0.000 0.000 0.314 31 V C -0.104 175.934 176.094 -0.093 0.000 1.073 31 V CA -0.824 61.417 62.300 -0.098 0.000 0.956 31 V CB 1.945 33.685 31.823 -0.139 0.000 1.023 31 V HN 0.747 nan 8.190 nan 0.000 0.435 32 T N 2.555 117.066 114.554 -0.071 0.000 2.795 32 T HA 0.701 5.051 4.350 -0.000 0.000 0.282 32 T C 0.444 175.115 174.700 -0.049 0.000 0.980 32 T CA 0.303 62.369 62.100 -0.056 0.000 1.012 32 T CB 1.350 70.192 68.868 -0.044 0.000 0.936 32 T HN 1.278 nan 8.240 nan 0.000 0.457 33 G N 1.297 110.080 108.800 -0.029 0.000 2.535 33 G HA2 0.398 4.357 3.960 -0.000 0.000 0.303 33 G HA3 0.398 4.357 3.960 -0.000 0.000 0.303 33 G C 0.508 175.417 174.900 0.014 0.000 1.237 33 G CA -0.869 44.236 45.100 0.008 0.000 0.986 33 G HN 0.784 nan 8.290 nan 0.000 0.494 34 N N -2.639 116.094 118.700 0.056 0.000 2.181 34 N HA 0.193 4.933 4.740 -0.000 0.000 0.207 34 N C -0.208 175.216 175.510 -0.143 0.000 1.182 34 N CA -0.102 52.948 53.050 0.001 0.000 0.893 34 N CB 0.595 39.139 38.487 0.095 0.000 1.032 34 N HN 0.475 nan 8.380 nan 0.000 0.513 35 H N -1.440 117.679 119.070 0.081 0.000 3.085 35 H HA 0.426 4.982 4.556 -0.000 0.000 0.356 35 H C -2.186 173.253 175.328 0.186 0.000 1.178 35 H CA -0.819 55.291 56.048 0.104 0.000 1.214 35 H CB 1.376 31.177 29.762 0.065 0.000 1.881 35 H HN 0.105 nan 8.280 nan 0.000 0.538 36 Y N 1.866 122.246 120.300 0.133 0.000 2.457 36 Y HA 0.487 5.037 4.550 -0.000 0.000 0.343 36 Y C -1.487 174.455 175.900 0.069 0.000 0.994 36 Y CA -0.601 57.558 58.100 0.099 0.000 1.031 36 Y CB 2.000 40.504 38.460 0.073 0.000 1.246 36 Y HN 0.737 nan 8.280 nan 0.000 0.449 37 Q N 4.710 124.234 119.800 -0.459 0.000 2.340 37 Q HA 0.722 5.062 4.340 -0.000 0.000 0.276 37 Q C -2.317 173.301 176.000 -0.636 0.000 1.048 37 Q CA -0.906 54.615 55.803 -0.470 0.000 0.832 37 Q CB 2.498 31.120 28.738 -0.192 0.000 1.373 37 Q HN 0.607 nan 8.270 nan 0.000 0.409 38 V N 2.232 121.797 119.914 -0.582 0.000 2.357 38 V HA 0.920 5.040 4.120 -0.000 0.000 0.284 38 V C -0.519 175.303 176.094 -0.454 0.000 1.018 38 V CA -0.065 61.883 62.300 -0.586 0.000 0.841 38 V CB 0.786 32.250 31.823 -0.597 0.000 0.991 38 V HN 0.851 nan 8.190 nan 0.000 0.437 39 A N 4.082 126.655 122.820 -0.411 0.000 2.602 39 A HA 0.893 5.213 4.320 -0.000 0.000 0.290 39 A C -1.269 176.131 177.584 -0.308 0.000 1.114 39 A CA -0.597 51.203 52.037 -0.395 0.000 0.683 39 A CB 1.131 19.995 19.000 -0.227 0.000 1.281 39 A HN 0.465 nan 8.150 nan 0.000 0.416 40 F N 0.872 120.794 119.950 -0.047 0.000 2.495 40 F HA 0.525 5.052 4.527 -0.000 0.000 0.365 40 F C 1.187 176.979 175.800 -0.014 0.000 1.090 40 F CA 0.969 58.958 58.000 -0.018 0.000 1.235 40 F CB 1.035 40.033 39.000 -0.003 0.000 1.119 40 F HN 0.813 nan 8.300 nan 0.000 0.562 41 G N 0.195 109.116 108.800 0.202 0.000 3.195 41 G HA2 0.629 4.588 3.960 -0.000 0.000 0.217 41 G HA3 0.629 4.588 3.960 -0.000 0.000 0.217 41 G C -0.388 174.578 174.900 0.110 0.000 1.166 41 G CA -0.475 44.692 45.100 0.112 0.000 0.812 41 G HN 1.111 nan 8.290 nan 0.000 0.617 42 G N -0.712 108.137 108.800 0.082 0.000 3.322 42 G HA2 -0.100 3.859 3.960 -0.000 0.000 0.686 42 G HA3 -0.100 3.859 3.960 -0.000 0.000 0.686 42 G C 0.483 175.422 174.900 0.065 0.000 1.015 42 G CA 0.409 45.558 45.100 0.082 0.000 0.826 42 G HN 0.683 nan 8.290 nan 0.000 0.538 43 K N 1.288 121.721 120.400 0.055 0.000 2.044 43 K HA -0.141 4.179 4.320 -0.000 0.000 0.210 43 K C 2.840 179.461 176.600 0.035 0.000 1.049 43 K CA 1.962 58.272 56.287 0.038 0.000 0.927 43 K CB -0.191 32.332 32.500 0.038 0.000 0.713 43 K HN 0.740 nan 8.250 nan 0.000 0.443 44 G N 1.060 109.918 108.800 0.096 0.000 2.421 44 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 44 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 44 G C 1.642 176.483 174.900 -0.097 0.000 1.171 44 G CA 0.985 46.168 45.100 0.138 0.000 0.775 44 G HN 0.371 nan 8.290 nan 0.000 0.543 45 A N 1.215 124.063 122.820 0.046 0.000 1.933 45 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 45 A C 2.281 179.732 177.584 -0.221 0.000 1.175 45 A CA 1.917 53.836 52.037 -0.197 0.000 0.628 45 A CB -0.415 18.645 19.000 0.100 0.000 0.814 45 A HN 0.354 nan 8.150 nan 0.000 0.444 46 N N -0.034 118.606 118.700 -0.100 0.000 2.120 46 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 46 N C 1.842 177.267 175.510 -0.143 0.000 1.024 46 N CA 1.604 54.597 53.050 -0.095 0.000 0.852 46 N CB -0.507 37.956 38.487 -0.039 0.000 1.003 46 N HN 0.671 nan 8.380 nan 0.000 0.424 47 Q N 0.109 119.821 119.800 -0.145 0.000 2.167 47 Q HA 0.090 4.429 4.340 -0.000 0.000 0.202 47 Q C 1.958 177.820 176.000 -0.230 0.000 0.970 47 Q CA 1.245 56.962 55.803 -0.145 0.000 0.855 47 Q CB -0.044 28.640 28.738 -0.090 0.000 0.911 47 Q HN 0.402 nan 8.270 nan 0.000 0.438 48 A N -0.072 122.509 122.820 -0.399 0.000 1.929 48 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 48 A C 2.221 179.602 177.584 -0.338 0.000 1.176 48 A CA 0.981 52.723 52.037 -0.490 0.000 0.628 48 A CB -0.404 17.944 19.000 -1.088 0.000 0.816 48 A HN 0.204 nan 8.150 nan 0.000 0.444 49 V N -0.184 119.543 119.914 -0.312 0.000 2.379 49 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 49 V C 3.046 178.979 176.094 -0.269 0.000 1.044 49 V CA 1.712 63.851 62.300 -0.268 0.000 1.036 49 V CB -1.075 30.612 31.823 -0.226 0.000 0.664 49 V HN 0.594 nan 8.190 nan 0.000 0.453 50 A N 0.121 122.811 122.820 -0.217 0.000 1.908 50 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 50 A C 2.426 179.920 177.584 -0.149 0.000 1.181 50 A CA 2.269 54.196 52.037 -0.184 0.000 0.627 50 A CB -0.794 18.129 19.000 -0.128 0.000 0.818 50 A HN 0.566 nan 8.150 nan 0.000 0.445 51 A N -0.520 122.217 122.820 -0.138 0.000 1.858 51 A HA 0.126 4.445 4.320 -0.000 0.000 0.216 51 A C 2.477 180.004 177.584 -0.094 0.000 1.190 51 A CA 2.035 54.014 52.037 -0.096 0.000 0.617 51 A CB -1.521 17.419 19.000 -0.100 0.000 0.827 51 A HN 0.764 nan 8.150 nan 0.000 0.443 52 G N -0.716 108.001 108.800 -0.138 0.000 2.459 52 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.217 52 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.217 52 G C 1.766 176.592 174.900 -0.123 0.000 1.183 52 G CA 0.948 45.980 45.100 -0.112 0.000 0.776 52 G HN 0.541 nan 8.290 nan 0.000 0.552 53 R N 0.153 120.470 120.500 -0.305 0.000 2.148 53 R HA 0.053 4.393 4.340 -0.000 0.000 0.227 53 R C 2.749 178.989 176.300 -0.098 0.000 1.103 53 R CA 0.959 56.762 56.100 -0.496 0.000 0.983 53 R CB -0.140 29.520 30.300 -1.066 0.000 0.874 53 R HN 0.278 nan 8.270 nan 0.000 0.451 54 S N -0.863 114.811 115.700 -0.044 0.000 2.489 54 S HA 0.035 4.504 4.470 -0.000 0.000 0.228 54 S C 1.152 175.833 174.600 0.136 0.000 0.995 54 S CA 0.981 59.253 58.200 0.120 0.000 0.934 54 S CB 0.599 63.905 63.200 0.176 0.000 0.771 54 S HN 0.681 nan 8.310 nan 0.000 0.522 55 G N 0.626 109.472 108.800 0.075 0.000 2.143 55 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.175 55 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.175 55 G C 0.048 174.957 174.900 0.016 0.000 1.004 55 G CA -0.199 44.940 45.100 0.064 0.000 0.671 55 G HN 0.738 nan 8.290 nan 0.000 0.512 56 A N 0.126 122.944 122.820 -0.004 0.000 2.351 56 A HA 0.603 4.922 4.320 -0.000 0.000 0.257 56 A C 0.515 178.092 177.584 -0.011 0.000 1.087 56 A CA -0.264 51.760 52.037 -0.021 0.000 0.798 56 A CB 0.263 19.242 19.000 -0.036 0.000 1.033 56 A HN 0.398 nan 8.150 nan 0.000 0.488 57 N N 2.008 120.701 118.700 -0.012 0.000 2.508 57 N HA 0.196 4.936 4.740 -0.000 0.000 0.253 57 N C -0.797 174.710 175.510 -0.005 0.000 1.145 57 N CA 0.150 53.197 53.050 -0.004 0.000 0.973 57 N CB 0.913 39.398 38.487 -0.004 0.000 1.305 57 N HN 0.601 nan 8.380 nan 0.000 0.506 58 I N 0.774 121.341 120.570 -0.004 0.000 2.509 58 I HA 0.606 4.776 4.170 -0.000 0.000 0.293 58 I C -1.009 175.120 176.117 0.019 0.000 1.020 58 I CA -0.819 60.478 61.300 -0.005 0.000 1.088 58 I CB 1.816 39.794 38.000 -0.037 0.000 1.267 58 I HN 0.281 nan 8.210 nan 0.000 0.430 59 A N 6.840 129.685 122.820 0.042 0.000 2.340 59 A HA 0.732 5.052 4.320 -0.000 0.000 0.331 59 A C -1.636 176.048 177.584 0.166 0.000 1.140 59 A CA -0.477 51.610 52.037 0.083 0.000 0.801 59 A CB 1.247 20.282 19.000 0.058 0.000 1.234 59 A HN 0.571 nan 8.150 nan 0.000 0.469 60 F N 2.587 122.525 119.950 -0.020 0.000 2.445 60 F HA 0.576 5.103 4.527 -0.001 0.000 0.348 60 F C -0.734 175.053 175.800 -0.022 0.000 1.125 60 F CA -1.815 56.171 58.000 -0.024 0.000 0.983 60 F CB 0.878 39.859 39.000 -0.032 0.000 1.198 60 F HN 0.409 nan 8.300 nan 0.000 0.436 61 I N 6.224 126.796 120.570 0.004 0.000 2.325 61 I HA 0.654 4.824 4.170 -0.000 0.000 0.291 61 I C 0.021 175.851 176.117 -0.480 0.000 1.019 61 I CA -0.141 61.038 61.300 -0.201 0.000 1.302 61 I CB 0.671 38.633 38.000 -0.065 0.000 1.401 61 I HN 0.735 nan 8.210 nan 0.000 0.485 62 A N 5.158 127.649 122.820 -0.548 0.000 2.511 62 A HA 0.745 5.064 4.320 -0.000 0.000 0.293 62 A C -1.807 175.575 177.584 -0.336 0.000 1.098 62 A CA -0.506 51.194 52.037 -0.562 0.000 0.643 62 A CB 1.394 19.722 19.000 -1.119 0.000 1.302 62 A HN 0.616 nan 8.150 nan 0.000 0.446 63 C N 1.033 120.188 119.300 -0.242 0.000 2.482 63 C HA 0.847 5.307 4.460 -0.000 0.000 0.317 63 C C 0.556 175.478 174.990 -0.113 0.000 1.197 63 C CA 0.106 59.035 59.018 -0.148 0.000 1.432 63 C CB 1.036 28.712 27.740 -0.106 0.000 2.062 63 C HN 1.142 nan 8.230 nan 0.000 0.471 64 T N 0.388 114.891 114.554 -0.086 0.000 2.948 64 T HA 0.789 5.139 4.350 -0.000 0.000 0.285 64 T C 0.463 175.147 174.700 -0.027 0.000 1.019 64 T CA -0.221 61.851 62.100 -0.047 0.000 1.013 64 T CB 1.533 70.378 68.868 -0.038 0.000 1.117 64 T HN 0.904 nan 8.240 nan 0.000 0.533 65 G N -0.002 108.797 108.800 -0.001 0.000 2.621 65 G HA2 0.380 4.340 3.960 -0.000 0.000 0.271 65 G HA3 0.380 4.340 3.960 -0.000 0.000 0.271 65 G C 0.043 174.950 174.900 0.012 0.000 1.236 65 G CA -0.372 44.735 45.100 0.011 0.000 0.958 65 G HN 0.892 nan 8.290 nan 0.000 0.512 66 D N -1.091 119.319 120.400 0.017 0.000 2.434 66 D HA 0.114 4.754 4.640 -0.000 0.000 0.232 66 D C -0.030 176.284 176.300 0.024 0.000 1.166 66 D CA -0.468 53.541 54.000 0.015 0.000 0.830 66 D CB 0.025 40.831 40.800 0.011 0.000 0.960 66 D HN 0.299 nan 8.370 nan 0.000 0.497 67 D N -1.535 118.886 120.400 0.035 0.000 2.549 67 D HA 0.244 4.883 4.640 -0.000 0.000 0.270 67 D C 0.916 177.245 176.300 0.049 0.000 1.181 67 D CA -0.924 53.102 54.000 0.044 0.000 1.070 67 D CB 0.490 41.324 40.800 0.057 0.000 1.154 67 D HN -0.170 nan 8.370 nan 0.000 0.602 68 S N -0.815 114.919 115.700 0.057 0.000 2.357 68 S HA -0.094 4.375 4.470 -0.000 0.000 0.221 68 S C 1.868 176.521 174.600 0.088 0.000 1.031 68 S CA 0.316 58.554 58.200 0.063 0.000 0.982 68 S CB -0.474 62.762 63.200 0.060 0.000 0.853 68 S HN 0.526 nan 8.310 nan 0.000 0.458 69 I N 2.073 122.709 120.570 0.110 0.000 2.194 69 I HA -0.177 3.992 4.170 -0.000 0.000 0.246 69 I C 2.208 178.412 176.117 0.145 0.000 1.093 69 I CA 1.494 62.895 61.300 0.169 0.000 1.355 69 I CB -0.674 37.439 38.000 0.188 0.000 1.046 69 I HN 0.327 nan 8.210 nan 0.000 0.413 70 G N -0.575 108.276 108.800 0.086 0.000 2.432 70 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 70 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 70 G C 1.620 176.522 174.900 0.004 0.000 1.135 70 G CA 0.574 45.695 45.100 0.034 0.000 0.767 70 G HN 0.367 nan 8.290 nan 0.000 0.550 71 E N 0.909 121.126 120.200 0.028 0.000 2.047 71 E HA -0.071 4.278 4.350 -0.000 0.000 0.191 71 E C 2.861 179.469 176.600 0.015 0.000 0.987 71 E CA 0.982 57.393 56.400 0.018 0.000 0.799 71 E CB -0.209 29.511 29.700 0.032 0.000 0.752 71 E HN 0.349 nan 8.360 nan 0.000 0.449 72 S N 0.405 116.143 115.700 0.063 0.000 2.356 72 S HA -0.141 4.329 4.470 -0.000 0.000 0.223 72 S C 2.094 176.651 174.600 -0.071 0.000 1.032 72 S CA 1.130 59.395 58.200 0.108 0.000 1.005 72 S CB -0.434 62.943 63.200 0.295 0.000 0.867 72 S HN 0.176 nan 8.310 nan 0.000 0.449 73 V N 2.554 122.276 119.914 -0.320 0.000 2.343 73 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 73 V C 2.310 178.168 176.094 -0.394 0.000 1.051 73 V CA 1.712 63.480 62.300 -0.887 0.000 1.036 73 V CB -0.468 30.813 31.823 -0.903 0.000 0.654 73 V HN 0.399 nan 8.190 nan 0.000 0.451 74 R N -0.608 119.779 120.500 -0.189 0.000 2.091 74 R HA -0.222 4.117 4.340 -0.000 0.000 0.238 74 R C 2.331 178.590 176.300 -0.068 0.000 1.136 74 R CA 2.105 58.147 56.100 -0.098 0.000 0.959 74 R CB -0.421 29.846 30.300 -0.054 0.000 0.856 74 R HN 0.618 nan 8.270 nan 0.000 0.437 75 Q N 0.190 119.958 119.800 -0.054 0.000 2.119 75 Q HA -0.214 4.125 4.340 -0.000 0.000 0.201 75 Q C 2.145 178.140 176.000 -0.007 0.000 0.972 75 Q CA 1.428 57.224 55.803 -0.012 0.000 0.847 75 Q CB -0.006 28.742 28.738 0.016 0.000 0.903 75 Q HN 0.205 nan 8.270 nan 0.000 0.433 76 Q N 0.957 120.729 119.800 -0.047 0.000 2.079 76 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 76 Q C 1.796 177.784 176.000 -0.020 0.000 0.974 76 Q CA 1.332 57.129 55.803 -0.010 0.000 0.840 76 Q CB -0.201 28.522 28.738 -0.026 0.000 0.898 76 Q HN 0.386 nan 8.270 nan 0.000 0.430 77 L N -0.004 121.174 121.223 -0.074 0.000 2.127 77 L HA -0.166 4.173 4.340 -0.000 0.000 0.211 77 L C 2.360 179.236 176.870 0.010 0.000 1.089 77 L CA 1.057 55.877 54.840 -0.034 0.000 0.757 77 L CB -0.718 41.341 42.059 -0.000 0.000 0.899 77 L HN 0.353 nan 8.230 nan 0.000 0.434 78 A N -0.193 122.638 122.820 0.018 0.000 2.015 78 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 78 A C 2.296 179.915 177.584 0.058 0.000 1.163 78 A CA 1.810 53.868 52.037 0.035 0.000 0.646 78 A CB -0.712 18.305 19.000 0.028 0.000 0.806 78 A HN 0.509 nan 8.150 nan 0.000 0.448 79 T N -3.520 111.078 114.554 0.073 0.000 3.148 79 T HA 0.035 4.385 4.350 -0.000 0.000 0.253 79 T C 0.404 175.227 174.700 0.204 0.000 1.134 79 T CA 0.822 62.995 62.100 0.122 0.000 1.051 79 T CB -0.121 68.821 68.868 0.122 0.000 0.959 79 T HN 0.287 nan 8.240 nan 0.000 0.525 80 D N 1.915 122.392 120.400 0.127 0.000 2.395 80 D HA 0.141 4.781 4.640 -0.000 0.000 0.226 80 D C 0.541 176.866 176.300 0.042 0.000 1.146 80 D CA -0.087 53.959 54.000 0.077 0.000 0.830 80 D CB -0.275 40.486 40.800 -0.066 0.000 0.958 80 D HN 0.383 nan 8.370 nan 0.000 0.501 81 N N 0.541 119.308 118.700 0.112 0.000 2.780 81 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 81 N C -1.211 174.317 175.510 0.029 0.000 1.102 81 N CA 0.388 53.490 53.050 0.087 0.000 0.697 81 N CB -1.514 37.048 38.487 0.125 0.000 1.028 81 N HN 0.268 nan 8.380 nan 0.000 0.554 82 I N -0.122 120.461 120.570 0.023 0.000 2.509 82 I HA 0.228 4.397 4.170 -0.000 0.000 0.293 82 I C -0.143 175.999 176.117 0.041 0.000 1.020 82 I CA -0.979 60.329 61.300 0.013 0.000 1.088 82 I CB 1.630 39.625 38.000 -0.008 0.000 1.267 82 I HN 0.051 nan 8.210 nan 0.000 0.430 83 D N 6.699 127.128 120.400 0.048 0.000 2.365 83 D HA 0.214 4.854 4.640 -0.000 0.000 0.237 83 D C 0.564 176.908 176.300 0.073 0.000 1.190 83 D CA -0.224 53.806 54.000 0.050 0.000 0.867 83 D CB 0.794 41.617 40.800 0.039 0.000 1.050 83 D HN 0.498 nan 8.370 nan 0.000 0.491 84 I N 0.592 121.199 120.570 0.061 0.000 3.904 84 I HA 0.131 4.300 4.170 -0.000 0.000 0.333 84 I C 1.232 177.358 176.117 0.015 0.000 1.361 84 I CA -0.489 60.846 61.300 0.059 0.000 1.116 84 I CB 0.042 38.072 38.000 0.050 0.000 1.028 84 I HN 0.065 nan 8.210 nan 0.000 0.398 85 T N 3.011 117.574 114.554 0.015 0.000 2.685 85 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 85 T C -0.490 174.200 174.700 -0.016 0.000 1.034 85 T CA 2.065 64.165 62.100 0.000 0.000 1.149 85 T CB -0.954 67.918 68.868 0.006 0.000 0.860 85 T HN 0.464 nan 8.240 nan 0.000 0.449 86 P HA 0.277 nan 4.420 nan 0.000 0.257 86 P C -0.540 176.698 177.300 -0.102 0.000 1.325 86 P CA 0.117 63.188 63.100 -0.048 0.000 0.850 86 P CB -0.107 31.574 31.700 -0.032 0.000 1.324 87 V N 0.714 120.564 119.914 -0.107 0.000 2.372 87 V HA 0.123 4.243 4.120 -0.000 0.000 0.261 87 V C 0.753 176.777 176.094 -0.116 0.000 1.055 87 V CA 0.209 62.408 62.300 -0.168 0.000 0.930 87 V CB 0.286 32.020 31.823 -0.149 0.000 1.031 87 V HN 0.076 nan 8.190 nan 0.000 0.479 88 S N 3.937 119.564 115.700 -0.122 0.000 2.632 88 S HA 0.562 5.032 4.470 -0.000 0.000 0.271 88 S C -0.137 174.421 174.600 -0.071 0.000 1.260 88 S CA -0.522 57.629 58.200 -0.081 0.000 1.010 88 S CB 1.829 64.985 63.200 -0.074 0.000 0.965 88 S HN 0.446 nan 8.310 nan 0.000 0.534 89 V N 3.397 123.282 119.914 -0.048 0.000 2.357 89 V HA 0.347 4.467 4.120 -0.000 0.000 0.284 89 V C -0.630 175.447 176.094 -0.028 0.000 1.018 89 V CA -0.634 61.645 62.300 -0.036 0.000 0.841 89 V CB 1.199 33.008 31.823 -0.024 0.000 0.991 89 V HN 0.657 nan 8.190 nan 0.000 0.437 90 I N 5.059 125.613 120.570 -0.026 0.000 2.297 90 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 90 I C 0.669 176.781 176.117 -0.009 0.000 1.033 90 I CA -0.613 60.674 61.300 -0.021 0.000 1.253 90 I CB 0.955 38.940 38.000 -0.025 0.000 1.396 90 I HN 0.563 nan 8.210 nan 0.000 0.476 91 K N 4.023 124.419 120.400 -0.007 0.000 2.489 91 K HA 0.202 4.522 4.320 -0.000 0.000 0.278 91 K C 1.116 177.718 176.600 0.003 0.000 1.000 91 K CA 0.717 57.004 56.287 -0.001 0.000 1.012 91 K CB 0.313 32.812 32.500 -0.002 0.000 0.903 91 K HN 0.931 nan 8.250 nan 0.000 0.485 92 G N 1.549 110.355 108.800 0.009 0.000 2.153 92 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.252 92 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.252 92 G C -0.159 174.752 174.900 0.019 0.000 0.994 92 G CA 0.683 45.790 45.100 0.013 0.000 0.698 92 G HN 0.568 nan 8.290 nan 0.000 0.521 93 E N 0.296 120.508 120.200 0.020 0.000 2.312 93 E HA 0.734 5.084 4.350 -0.000 0.000 0.267 93 E C 0.291 176.919 176.600 0.045 0.000 0.894 93 E CA -0.023 56.394 56.400 0.028 0.000 0.773 93 E CB 1.393 31.098 29.700 0.008 0.000 1.241 93 E HN 0.475 nan 8.360 nan 0.000 0.432 94 S N 1.062 116.811 115.700 0.081 0.000 2.654 94 S HA 0.549 5.019 4.470 -0.000 0.000 0.283 94 S C -0.146 174.511 174.600 0.094 0.000 1.180 94 S CA -0.849 57.418 58.200 0.112 0.000 1.021 94 S CB 1.303 64.610 63.200 0.178 0.000 1.018 94 S HN 0.444 nan 8.310 nan 0.000 0.532 95 T N 2.217 116.830 114.554 0.098 0.000 2.901 95 T HA 0.445 4.794 4.350 -0.000 0.000 0.301 95 T C 1.070 175.835 174.700 0.109 0.000 1.012 95 T CA 0.198 62.346 62.100 0.080 0.000 1.135 95 T CB 0.193 69.119 68.868 0.096 0.000 0.936 95 T HN 0.911 nan 8.240 nan 0.000 0.539 96 G N 1.647 110.470 108.800 0.039 0.000 2.568 96 G HA2 0.345 4.304 3.960 -0.000 0.000 0.231 96 G HA3 0.345 4.304 3.960 -0.000 0.000 0.231 96 G C -0.605 174.383 174.900 0.148 0.000 1.261 96 G CA -0.331 44.783 45.100 0.024 0.000 0.855 96 G HN 0.653 nan 8.290 nan 0.000 0.576 97 V N 0.855 120.882 119.914 0.188 0.000 2.789 97 V HA 0.754 4.874 4.120 -0.000 0.000 0.311 97 V C 0.239 176.417 176.094 0.139 0.000 1.073 97 V CA -0.497 61.922 62.300 0.198 0.000 0.921 97 V CB 1.773 33.701 31.823 0.176 0.000 1.009 97 V HN 1.239 nan 8.190 nan 0.000 0.426 98 A N 4.897 127.802 122.820 0.142 0.000 2.355 98 A HA 0.931 5.250 4.320 -0.000 0.000 0.317 98 A C -1.151 176.475 177.584 0.071 0.000 1.094 98 A CA -0.552 51.533 52.037 0.080 0.000 0.764 98 A CB 1.132 20.172 19.000 0.067 0.000 1.230 98 A HN 0.779 nan 8.150 nan 0.000 0.448 99 L N 3.257 124.463 121.223 -0.028 0.000 2.325 99 L HA 0.570 4.910 4.340 -0.000 0.000 0.281 99 L C -0.902 175.847 176.870 -0.203 0.000 1.004 99 L CA -0.190 54.590 54.840 -0.100 0.000 0.823 99 L CB 1.293 43.236 42.059 -0.194 0.000 1.236 99 L HN 0.568 nan 8.230 nan 0.000 0.415 100 I N 2.858 123.340 120.570 -0.147 0.000 2.466 100 I HA 0.415 4.584 4.170 -0.000 0.000 0.289 100 I C -1.009 175.115 176.117 0.012 0.000 1.026 100 I CA -0.452 60.797 61.300 -0.084 0.000 1.078 100 I CB 2.002 40.025 38.000 0.039 0.000 1.249 100 I HN 0.296 nan 8.210 nan 0.000 0.429 101 F N 5.375 125.428 119.950 0.172 0.000 2.436 101 F HA 0.553 5.080 4.527 -0.000 0.000 0.340 101 F C 0.095 176.114 175.800 0.365 0.000 1.113 101 F CA -1.158 57.003 58.000 0.268 0.000 1.022 101 F CB 1.865 41.080 39.000 0.359 0.000 1.128 101 F HN -0.024 nan 8.300 nan 0.000 0.466 102 V N 4.233 124.418 119.914 0.451 0.000 2.444 102 V HA 0.346 4.466 4.120 -0.000 0.000 0.294 102 V C -0.188 175.924 176.094 0.030 0.000 1.022 102 V CA -1.000 61.459 62.300 0.265 0.000 0.850 102 V CB 1.491 33.411 31.823 0.161 0.000 0.992 102 V HN 0.789 nan 8.190 nan 0.000 0.426 103 N N 3.750 122.314 118.700 -0.225 0.000 2.418 103 N HA 0.312 5.052 4.740 -0.000 0.000 0.283 103 N C 1.381 176.765 175.510 -0.211 0.000 1.267 103 N CA 0.046 52.826 53.050 -0.451 0.000 0.975 103 N CB 0.715 38.584 38.487 -1.029 0.000 1.167 103 N HN 0.508 nan 8.380 nan 0.000 0.581 104 G N -0.963 107.719 108.800 -0.198 0.000 2.470 104 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 104 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 104 G C 0.855 175.709 174.900 -0.077 0.000 1.121 104 G CA 0.491 45.527 45.100 -0.107 0.000 0.766 104 G HN 0.700 nan 8.290 nan 0.000 0.553 105 E N -0.023 120.125 120.200 -0.088 0.000 2.299 105 E HA 0.123 4.473 4.350 -0.000 0.000 0.193 105 E C 1.932 178.519 176.600 -0.023 0.000 0.998 105 E CA 0.805 57.178 56.400 -0.045 0.000 0.851 105 E CB -0.119 29.562 29.700 -0.033 0.000 0.795 105 E HN 0.513 nan 8.360 nan 0.000 0.492 106 G N 1.535 110.320 108.800 -0.024 0.000 2.184 106 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.206 106 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.206 106 G C -0.085 174.852 174.900 0.061 0.000 0.995 106 G CA -0.009 45.100 45.100 0.014 0.000 0.651 106 G HN 0.302 nan 8.290 nan 0.000 0.511 107 E N 1.381 121.631 120.200 0.083 0.000 2.398 107 E HA 0.420 4.769 4.350 -0.000 0.000 0.263 107 E C 0.471 177.292 176.600 0.368 0.000 1.046 107 E CA 0.233 56.754 56.400 0.201 0.000 0.908 107 E CB 0.463 30.320 29.700 0.261 0.000 0.963 107 E HN 0.670 nan 8.360 nan 0.000 0.431 108 N N -0.005 118.907 118.700 0.354 0.000 2.262 108 N HA 0.493 5.233 4.740 -0.000 0.000 0.295 108 N C -1.043 174.554 175.510 0.145 0.000 1.161 108 N CA -0.773 52.495 53.050 0.363 0.000 0.767 108 N CB 1.888 40.493 38.487 0.198 0.000 1.499 108 N HN 0.241 nan 8.380 nan 0.000 0.476 109 V N -1.832 118.078 119.914 -0.006 0.000 2.815 109 V HA 0.745 4.865 4.120 -0.000 0.000 0.314 109 V C -0.395 175.649 176.094 -0.084 0.000 1.064 109 V CA -0.835 61.373 62.300 -0.152 0.000 0.952 109 V CB 1.532 33.142 31.823 -0.356 0.000 1.020 109 V HN 0.702 nan 8.190 nan 0.000 0.439 110 I N 2.156 122.671 120.570 -0.092 0.000 2.512 110 I HA 0.669 4.839 4.170 -0.000 0.000 0.287 110 I C 0.357 176.420 176.117 -0.090 0.000 1.069 110 I CA -0.482 60.768 61.300 -0.084 0.000 1.056 110 I CB 2.080 40.060 38.000 -0.035 0.000 1.229 110 I HN 0.943 nan 8.210 nan 0.000 0.429 111 G N 6.895 115.625 108.800 -0.116 0.000 2.372 111 G HA2 0.783 4.743 3.960 -0.000 0.000 0.323 111 G HA3 0.783 4.743 3.960 -0.000 0.000 0.323 111 G C -0.929 173.947 174.900 -0.040 0.000 1.152 111 G CA -0.377 44.675 45.100 -0.081 0.000 0.906 111 G HN 0.468 nan 8.290 nan 0.000 0.460 112 I N 1.139 121.704 120.570 -0.009 0.000 2.465 112 I HA 0.231 4.400 4.170 -0.000 0.000 0.291 112 I C -0.737 175.417 176.117 0.061 0.000 1.014 112 I CA -1.042 60.271 61.300 0.022 0.000 1.093 112 I CB 2.423 40.428 38.000 0.008 0.000 1.267 112 I HN 0.666 nan 8.210 nan 0.000 0.431 113 H N 5.877 124.938 119.070 -0.015 0.000 2.556 113 H HA 0.496 5.052 4.556 -0.000 0.000 0.310 113 H C 0.452 175.781 175.328 0.001 0.000 1.057 113 H CA -0.329 55.712 56.048 -0.011 0.000 1.264 113 H CB 1.725 31.477 29.762 -0.016 0.000 1.404 113 H HN 0.700 nan 8.280 nan 0.000 0.462 114 A N 4.550 127.150 122.820 -0.367 0.000 1.902 114 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 114 A C 2.068 179.388 177.584 -0.439 0.000 1.181 114 A CA 1.258 53.115 52.037 -0.299 0.000 0.623 114 A CB -1.304 17.590 19.000 -0.177 0.000 0.818 114 A HN 1.265 nan 8.150 nan 0.000 0.443 115 G N -1.070 107.256 108.800 -0.791 0.000 2.672 115 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.324 115 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.324 115 G C 1.437 176.231 174.900 -0.177 0.000 1.286 115 G CA 1.890 46.723 45.100 -0.446 0.000 1.004 115 G HN 1.601 nan 8.290 nan 0.000 0.548 116 A N -0.132 122.629 122.820 -0.099 0.000 2.121 116 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 116 A C 2.151 179.690 177.584 -0.075 0.000 1.154 116 A CA 1.989 53.986 52.037 -0.065 0.000 0.679 116 A CB -0.447 18.527 19.000 -0.042 0.000 0.795 116 A HN 0.623 nan 8.150 nan 0.000 0.458 117 N N 0.841 119.489 118.700 -0.086 0.000 2.205 117 N HA -0.142 4.597 4.740 -0.000 0.000 0.186 117 N C 1.728 177.198 175.510 -0.067 0.000 1.015 117 N CA 1.371 54.377 53.050 -0.073 0.000 0.862 117 N CB -0.376 38.074 38.487 -0.062 0.000 0.986 117 N HN 0.500 nan 8.380 nan 0.000 0.429 118 A N 0.507 123.283 122.820 -0.075 0.000 2.172 118 A HA 0.175 4.495 4.320 -0.000 0.000 0.216 118 A C 1.945 179.500 177.584 -0.047 0.000 1.154 118 A CA 1.183 53.185 52.037 -0.057 0.000 0.701 118 A CB -0.189 18.775 19.000 -0.060 0.000 0.789 118 A HN 0.285 nan 8.150 nan 0.000 0.465 119 A N -0.961 121.828 122.820 -0.051 0.000 2.345 119 A HA 0.454 4.773 4.320 -0.000 0.000 0.225 119 A C 0.678 178.235 177.584 -0.046 0.000 1.243 119 A CA -0.253 51.758 52.037 -0.043 0.000 0.875 119 A CB -0.272 18.703 19.000 -0.040 0.000 0.929 119 A HN 0.438 nan 8.150 nan 0.000 0.502 120 L N 2.542 123.734 121.223 -0.051 0.000 2.334 120 L HA 0.266 4.606 4.340 -0.000 0.000 0.286 120 L C 0.175 177.022 176.870 -0.039 0.000 1.108 120 L CA -0.352 54.455 54.840 -0.054 0.000 0.875 120 L CB 0.476 42.496 42.059 -0.065 0.000 1.246 120 L HN 0.442 nan 8.230 nan 0.000 0.439 121 S N 3.318 118.998 115.700 -0.034 0.000 2.718 121 S HA 0.578 5.047 4.470 -0.000 0.000 0.300 121 S C -2.028 172.560 174.600 -0.021 0.000 1.117 121 S CA -1.438 56.748 58.200 -0.025 0.000 1.002 121 S CB 1.459 64.645 63.200 -0.022 0.000 1.092 121 S HN 0.321 nan 8.310 nan 0.000 0.542 122 P HA -0.080 nan 4.420 nan 0.000 0.217 122 P C 1.341 178.634 177.300 -0.012 0.000 1.148 122 P CA 1.892 64.986 63.100 -0.012 0.000 0.828 122 P CB -0.198 31.496 31.700 -0.009 0.000 0.783 123 A N -0.984 121.827 122.820 -0.014 0.000 1.930 123 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 123 A C 2.162 179.736 177.584 -0.017 0.000 1.176 123 A CA 0.980 53.008 52.037 -0.014 0.000 0.632 123 A CB -1.431 17.561 19.000 -0.013 0.000 0.819 123 A HN 0.111 nan 8.150 nan 0.000 0.445 124 L N -0.444 120.765 121.223 -0.023 0.000 2.083 124 L HA -0.146 4.193 4.340 -0.000 0.000 0.209 124 L C 2.459 179.314 176.870 -0.026 0.000 1.083 124 L CA 0.863 55.685 54.840 -0.029 0.000 0.752 124 L CB -0.555 41.479 42.059 -0.041 0.000 0.899 124 L HN 0.234 nan 8.230 nan 0.000 0.433 125 V N 0.065 119.967 119.914 -0.021 0.000 2.343 125 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 125 V C 2.512 178.601 176.094 -0.010 0.000 1.051 125 V CA 2.039 64.330 62.300 -0.015 0.000 1.036 125 V CB -0.410 31.407 31.823 -0.009 0.000 0.654 125 V HN 0.460 nan 8.190 nan 0.000 0.451 126 E N 1.043 121.238 120.200 -0.009 0.000 2.150 126 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 126 E C 1.983 178.579 176.600 -0.007 0.000 0.985 126 E CA 1.414 57.810 56.400 -0.005 0.000 0.814 126 E CB -0.432 29.266 29.700 -0.005 0.000 0.752 126 E HN 0.519 nan 8.360 nan 0.000 0.466 127 A N 0.132 122.946 122.820 -0.011 0.000 2.178 127 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 127 A C 1.609 179.186 177.584 -0.010 0.000 1.157 127 A CA 1.167 53.197 52.037 -0.011 0.000 0.689 127 A CB -0.184 18.807 19.000 -0.016 0.000 0.787 127 A HN 0.226 nan 8.150 nan 0.000 0.465 128 Q N -1.097 118.697 119.800 -0.010 0.000 2.198 128 Q HA 0.119 4.459 4.340 -0.000 0.000 0.209 128 Q C 1.528 177.527 176.000 -0.001 0.000 0.848 128 Q CA 0.044 55.843 55.803 -0.007 0.000 0.974 128 Q CB 0.100 28.832 28.738 -0.009 0.000 1.115 128 Q HN 0.813 nan 8.270 nan 0.000 0.494 129 R N 1.577 122.077 120.500 -0.001 0.000 2.136 129 R HA -0.277 4.063 4.340 -0.000 0.000 0.242 129 R C 1.722 178.023 176.300 0.002 0.000 1.131 129 R CA 2.218 58.319 56.100 0.002 0.000 0.937 129 R CB 0.132 30.433 30.300 0.001 0.000 0.863 129 R HN 0.040 nan 8.270 nan 0.000 0.435 130 E N 0.116 120.316 120.200 0.000 0.000 2.058 130 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 130 E C 2.087 178.687 176.600 0.001 0.000 0.997 130 E CA 1.714 58.114 56.400 -0.000 0.000 0.801 130 E CB -0.178 29.522 29.700 -0.001 0.000 0.746 130 E HN 0.316 nan 8.360 nan 0.000 0.450 131 R N -0.153 120.349 120.500 0.002 0.000 2.091 131 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 131 R C 2.315 178.619 176.300 0.008 0.000 1.136 131 R CA 1.758 57.861 56.100 0.005 0.000 0.959 131 R CB -0.331 29.973 30.300 0.007 0.000 0.856 131 R HN 0.276 nan 8.270 nan 0.000 0.437 132 I N 0.140 120.715 120.570 0.008 0.000 2.406 132 I HA -0.143 4.027 4.170 -0.000 0.000 0.249 132 I C 2.447 178.568 176.117 0.008 0.000 1.122 132 I CA 0.918 62.225 61.300 0.011 0.000 1.431 132 I CB -0.239 37.769 38.000 0.014 0.000 1.087 132 I HN 0.244 nan 8.210 nan 0.000 0.424 133 A N 0.805 123.627 122.820 0.004 0.000 1.972 133 A HA -0.199 4.120 4.320 -0.000 0.000 0.219 133 A C 1.858 179.441 177.584 -0.003 0.000 1.169 133 A CA 1.897 53.934 52.037 -0.000 0.000 0.635 133 A CB -0.850 18.148 19.000 -0.002 0.000 0.810 133 A HN 0.537 nan 8.150 nan 0.000 0.446 134 N N -0.665 118.034 118.700 -0.001 0.000 2.336 134 N HA 0.330 5.070 4.740 -0.000 0.000 0.189 134 N C 0.420 175.928 175.510 -0.002 0.000 1.113 134 N CA 0.086 53.134 53.050 -0.003 0.000 0.858 134 N CB 0.183 38.669 38.487 -0.002 0.000 0.970 134 N HN 0.466 nan 8.380 nan 0.000 0.471 135 A N 0.206 123.026 122.820 0.001 0.000 2.351 135 A HA 0.310 4.630 4.320 -0.000 0.000 0.257 135 A C 1.089 178.672 177.584 -0.002 0.000 1.087 135 A CA -0.382 51.656 52.037 0.001 0.000 0.798 135 A CB 0.504 19.508 19.000 0.007 0.000 1.033 135 A HN 0.161 nan 8.150 nan 0.000 0.488 136 S N 0.259 115.956 115.700 -0.006 0.000 2.414 136 S HA 0.334 4.803 4.470 -0.000 0.000 0.227 136 S C 0.799 175.396 174.600 -0.006 0.000 1.022 136 S CA 0.896 59.091 58.200 -0.009 0.000 0.958 136 S CB -0.166 63.025 63.200 -0.015 0.000 0.797 136 S HN 1.359 nan 8.310 nan 0.000 0.493 137 A N 0.556 123.374 122.820 -0.004 0.000 2.587 137 A HA 0.761 5.081 4.320 -0.000 0.000 0.293 137 A C -1.795 175.793 177.584 0.008 0.000 1.087 137 A CA -0.697 51.340 52.037 0.001 0.000 0.692 137 A CB 1.337 20.333 19.000 -0.007 0.000 1.291 137 A HN 0.235 nan 8.150 nan 0.000 0.407 138 L N 1.299 122.531 121.223 0.014 0.000 2.381 138 L HA 0.847 5.187 4.340 -0.000 0.000 0.274 138 L C -1.730 175.153 176.870 0.022 0.000 0.988 138 L CA -0.610 54.243 54.840 0.023 0.000 0.824 138 L CB 1.597 43.673 42.059 0.028 0.000 1.263 138 L HN 0.749 nan 8.230 nan 0.000 0.410 139 L N 6.046 127.284 121.223 0.025 0.000 2.356 139 L HA 0.807 5.147 4.340 -0.000 0.000 0.277 139 L C -1.192 175.701 176.870 0.038 0.000 0.996 139 L CA -0.142 54.711 54.840 0.022 0.000 0.822 139 L CB 1.542 43.603 42.059 0.004 0.000 1.256 139 L HN 0.792 nan 8.230 nan 0.000 0.413 140 M N 3.411 123.033 119.600 0.037 0.000 2.664 140 M HA 0.602 5.081 4.480 -0.000 0.000 0.279 140 M C -1.091 175.233 176.300 0.039 0.000 1.275 140 M CA -0.736 54.591 55.300 0.046 0.000 0.829 140 M CB 2.467 35.091 32.600 0.040 0.000 1.727 140 M HN 0.533 nan 8.290 nan 0.000 0.459 141 Q N 0.195 120.021 119.800 0.042 0.000 3.146 141 Q HA 0.652 4.992 4.340 -0.000 0.000 0.318 141 Q C -0.595 175.422 176.000 0.027 0.000 0.992 141 Q CA -0.804 55.019 55.803 0.034 0.000 0.809 141 Q CB 1.163 29.923 28.738 0.038 0.000 1.490 141 Q HN 0.672 nan 8.270 nan 0.000 0.493 142 L N 0.930 122.165 121.223 0.021 0.000 3.017 142 L HA 0.352 4.691 4.340 -0.000 0.000 0.255 142 L C 0.159 177.035 176.870 0.010 0.000 1.247 142 L CA 0.189 55.036 54.840 0.013 0.000 1.038 142 L CB 0.174 42.237 42.059 0.008 0.000 1.380 142 L HN 0.609 nan 8.230 nan 0.000 0.548 143 E N -0.347 119.862 120.200 0.015 0.000 2.463 143 E HA 0.138 4.488 4.350 -0.000 0.000 0.193 143 E C 0.203 176.804 176.600 0.002 0.000 1.041 143 E CA -0.126 56.280 56.400 0.009 0.000 0.879 143 E CB 0.624 30.334 29.700 0.017 0.000 0.997 143 E HN 0.262 nan 8.360 nan 0.000 0.478 144 S N 1.409 117.111 115.700 0.003 0.000 2.664 144 S HA 0.393 4.863 4.470 -0.000 0.000 0.304 144 S C -2.487 172.107 174.600 -0.010 0.000 1.099 144 S CA -1.428 56.768 58.200 -0.007 0.000 1.003 144 S CB 1.334 64.533 63.200 -0.003 0.000 1.092 144 S HN -0.087 nan 8.310 nan 0.000 0.525 145 P HA 0.063 nan 4.420 nan 0.000 0.264 145 P C 0.730 178.024 177.300 -0.010 0.000 1.193 145 P CA -0.250 62.841 63.100 -0.015 0.000 0.763 145 P CB 0.340 32.029 31.700 -0.019 0.000 0.810 146 L N 4.561 125.779 121.223 -0.008 0.000 2.079 146 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 146 L C 1.588 178.455 176.870 -0.006 0.000 1.081 146 L CA 2.071 56.907 54.840 -0.006 0.000 0.752 146 L CB -0.998 41.057 42.059 -0.006 0.000 0.896 146 L HN 0.254 nan 8.230 nan 0.000 0.433 147 E N -0.537 119.658 120.200 -0.008 0.000 2.153 147 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 147 E C 2.170 178.766 176.600 -0.007 0.000 0.988 147 E CA 1.417 57.813 56.400 -0.007 0.000 0.811 147 E CB -0.546 29.149 29.700 -0.008 0.000 0.746 147 E HN 0.489 nan 8.360 nan 0.000 0.466 148 S N -0.028 115.667 115.700 -0.008 0.000 2.387 148 S HA -0.063 4.407 4.470 -0.000 0.000 0.226 148 S C 2.081 176.680 174.600 -0.003 0.000 1.026 148 S CA 0.722 58.917 58.200 -0.008 0.000 0.972 148 S CB -0.148 63.044 63.200 -0.014 0.000 0.814 148 S HN 0.073 nan 8.310 nan 0.000 0.477 149 V N 1.851 121.764 119.914 -0.001 0.000 2.407 149 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 149 V C 2.285 178.382 176.094 0.004 0.000 1.055 149 V CA 1.993 64.296 62.300 0.005 0.000 1.049 149 V CB -0.545 31.281 31.823 0.006 0.000 0.662 149 V HN 0.464 nan 8.190 nan 0.000 0.455 150 M N 0.728 120.328 119.600 -0.000 0.000 2.123 150 M HA 0.012 4.491 4.480 -0.000 0.000 0.263 150 M C 2.111 178.412 176.300 0.002 0.000 1.069 150 M CA 2.165 57.464 55.300 -0.002 0.000 1.133 150 M CB -0.628 31.969 32.600 -0.006 0.000 1.356 150 M HN 0.199 nan 8.290 nan 0.000 0.415 151 A N 0.046 122.868 122.820 0.002 0.000 1.917 151 A HA -0.066 4.253 4.320 -0.000 0.000 0.219 151 A C 2.343 179.934 177.584 0.012 0.000 1.182 151 A CA 2.281 54.322 52.037 0.006 0.000 0.633 151 A CB -1.454 17.547 19.000 0.002 0.000 0.819 151 A HN 0.685 nan 8.150 nan 0.000 0.448 152 A N -0.671 122.156 122.820 0.011 0.000 1.930 152 A HA 0.349 4.668 4.320 -0.000 0.000 0.215 152 A C 2.462 180.062 177.584 0.027 0.000 1.176 152 A CA 1.552 53.600 52.037 0.017 0.000 0.632 152 A CB -0.876 18.133 19.000 0.016 0.000 0.819 152 A HN 1.012 nan 8.150 nan 0.000 0.445 153 A N 0.372 123.206 122.820 0.024 0.000 1.908 153 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 153 A C 2.095 179.710 177.584 0.052 0.000 1.181 153 A CA 1.888 53.944 52.037 0.031 0.000 0.627 153 A CB -0.465 18.542 19.000 0.011 0.000 0.818 153 A HN 0.526 nan 8.150 nan 0.000 0.445 154 K N -0.551 119.873 120.400 0.040 0.000 2.063 154 K HA -0.103 4.216 4.320 -0.000 0.000 0.208 154 K C 1.816 178.468 176.600 0.086 0.000 1.048 154 K CA 1.641 57.967 56.287 0.065 0.000 0.928 154 K CB -0.405 32.119 32.500 0.039 0.000 0.713 154 K HN 0.558 nan 8.250 nan 0.000 0.442 155 I N 0.945 121.547 120.570 0.053 0.000 2.226 155 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 155 I C 2.531 178.675 176.117 0.044 0.000 1.100 155 I CA 1.096 62.420 61.300 0.041 0.000 1.374 155 I CB -0.407 37.607 38.000 0.024 0.000 1.057 155 I HN 0.151 nan 8.210 nan 0.000 0.413 156 A N 0.246 123.098 122.820 0.053 0.000 1.908 156 A HA -0.331 3.989 4.320 -0.000 0.000 0.218 156 A C 2.212 179.835 177.584 0.066 0.000 1.181 156 A CA 2.342 54.410 52.037 0.050 0.000 0.627 156 A CB -1.064 17.968 19.000 0.053 0.000 0.818 156 A HN 0.560 nan 8.150 nan 0.000 0.445 157 H N -0.342 118.731 119.070 0.004 0.000 2.353 157 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 157 H C 2.069 177.399 175.328 0.003 0.000 1.090 157 H CA 2.149 58.199 56.048 0.004 0.000 1.327 157 H CB -0.247 29.518 29.762 0.005 0.000 1.383 157 H HN 0.585 nan 8.280 nan 0.000 0.508 158 Q N -0.532 119.245 119.800 -0.039 0.000 2.226 158 Q HA -0.079 4.261 4.340 -0.000 0.000 0.204 158 Q C 0.819 176.757 176.000 -0.104 0.000 0.975 158 Q CA 1.219 56.970 55.803 -0.086 0.000 0.866 158 Q CB 0.239 28.975 28.738 -0.003 0.000 0.915 158 Q HN 0.543 nan 8.270 nan 0.000 0.440 159 N N -0.368 118.288 118.700 -0.072 0.000 2.238 159 N HA 0.103 4.843 4.740 -0.000 0.000 0.235 159 N C -0.899 174.581 175.510 -0.050 0.000 1.209 159 N CA 0.058 53.078 53.050 -0.049 0.000 0.879 159 N CB 0.887 39.361 38.487 -0.021 0.000 1.136 159 N HN 0.062 nan 8.380 nan 0.000 0.517 160 K N 0.339 120.692 120.400 -0.078 0.000 3.071 160 K HA -0.119 4.201 4.320 -0.000 0.000 0.265 160 K C -0.697 175.890 176.600 -0.022 0.000 1.060 160 K CA 0.590 56.842 56.287 -0.058 0.000 0.767 160 K CB -1.749 30.718 32.500 -0.055 0.000 1.241 160 K HN 0.103 nan 8.250 nan 0.000 0.486 161 T N 1.120 115.670 114.554 -0.006 0.000 2.806 161 T HA 0.363 4.713 4.350 -0.000 0.000 0.290 161 T C 0.767 175.479 174.700 0.021 0.000 0.966 161 T CA -0.597 61.507 62.100 0.007 0.000 1.060 161 T CB 0.764 69.639 68.868 0.012 0.000 0.927 161 T HN 0.128 nan 8.240 nan 0.000 0.485 162 I N 3.526 124.105 120.570 0.015 0.000 2.664 162 I HA 0.013 4.182 4.170 -0.000 0.000 0.284 162 I C 0.208 176.341 176.117 0.027 0.000 1.154 162 I CA -0.074 61.238 61.300 0.021 0.000 1.402 162 I CB 0.308 38.313 38.000 0.009 0.000 1.395 162 I HN 0.259 nan 8.210 nan 0.000 0.545 163 V N 7.423 127.360 119.914 0.039 0.000 2.408 163 V HA 0.407 4.527 4.120 -0.000 0.000 0.267 163 V C 0.582 176.692 176.094 0.027 0.000 1.047 163 V CA -0.377 61.944 62.300 0.035 0.000 0.937 163 V CB 0.941 32.790 31.823 0.043 0.000 0.999 163 V HN 0.822 nan 8.190 nan 0.000 0.472 164 A N 6.309 129.142 122.820 0.022 0.000 2.273 164 A HA 0.804 5.124 4.320 -0.000 0.000 0.315 164 A C -0.974 176.624 177.584 0.023 0.000 1.256 164 A CA -0.472 51.578 52.037 0.020 0.000 0.851 164 A CB 0.919 19.925 19.000 0.011 0.000 1.172 164 A HN 0.798 nan 8.150 nan 0.000 0.508 165 L N 3.075 124.313 121.223 0.025 0.000 2.325 165 L HA 0.414 4.754 4.340 -0.000 0.000 0.281 165 L C -0.304 176.584 176.870 0.031 0.000 1.004 165 L CA -0.278 54.577 54.840 0.025 0.000 0.823 165 L CB 1.374 43.444 42.059 0.018 0.000 1.236 165 L HN 0.735 nan 8.230 nan 0.000 0.415 166 N N 6.783 125.504 118.700 0.034 0.000 2.500 166 N HA 0.352 5.092 4.740 -0.000 0.000 0.236 166 N C -2.350 173.177 175.510 0.028 0.000 1.022 166 N CA -1.585 51.488 53.050 0.039 0.000 0.935 166 N CB 1.313 39.828 38.487 0.047 0.000 1.147 166 N HN 0.425 nan 8.380 nan 0.000 0.512 167 P HA 0.190 nan 4.420 nan 0.000 0.225 167 P C -1.371 175.936 177.300 0.012 0.000 1.813 167 P CA -0.075 63.033 63.100 0.013 0.000 1.013 167 P CB 0.034 31.739 31.700 0.008 0.000 1.961 168 A N 3.232 126.061 122.820 0.015 0.000 2.449 168 A HA 0.786 5.106 4.320 -0.000 0.000 0.302 168 A C -2.903 174.688 177.584 0.013 0.000 1.048 168 A CA -2.182 49.862 52.037 0.012 0.000 0.708 168 A CB 1.364 20.373 19.000 0.016 0.000 1.274 168 A HN 0.049 nan 8.150 nan 0.000 0.410 169 P HA 0.379 nan 4.420 nan 0.000 0.274 169 P C -0.020 177.281 177.300 0.000 0.000 1.256 169 P CA -0.120 62.982 63.100 0.003 0.000 0.795 169 P CB 0.553 32.252 31.700 -0.001 0.000 1.038 170 A N 2.179 124.998 122.820 -0.002 0.000 2.546 170 A HA 0.385 4.704 4.320 -0.000 0.000 0.243 170 A C 0.607 178.188 177.584 -0.005 0.000 1.063 170 A CA 0.560 52.594 52.037 -0.004 0.000 0.757 170 A CB -0.714 18.282 19.000 -0.006 0.000 0.991 170 A HN 0.714 nan 8.150 nan 0.000 0.503 171 R N 1.144 121.641 120.500 -0.005 0.000 2.780 171 R HA 0.464 4.803 4.340 -0.000 0.000 0.280 171 R C -1.323 174.973 176.300 -0.006 0.000 1.016 171 R CA -0.929 55.167 56.100 -0.006 0.000 0.854 171 R CB 0.702 30.998 30.300 -0.006 0.000 1.293 171 R HN 0.540 nan 8.270 nan 0.000 0.483 172 E N 0.741 120.937 120.200 -0.007 0.000 2.313 172 E HA 0.443 4.793 4.350 -0.000 0.000 0.272 172 E C -0.719 175.877 176.600 -0.007 0.000 1.038 172 E CA -0.609 55.786 56.400 -0.008 0.000 0.863 172 E CB 1.251 30.947 29.700 -0.008 0.000 1.060 172 E HN 0.254 nan 8.360 nan 0.000 0.402 173 L N 3.260 124.478 121.223 -0.008 0.000 2.388 173 L HA 0.493 4.832 4.340 -0.000 0.000 0.264 173 L C -2.224 174.640 176.870 -0.010 0.000 0.998 173 L CA -2.241 52.594 54.840 -0.008 0.000 0.817 173 L CB 1.800 43.854 42.059 -0.008 0.000 1.338 173 L HN 0.427 nan 8.230 nan 0.000 0.414 174 P HA 0.138 nan 4.420 nan 0.000 0.274 174 P C -0.381 176.910 177.300 -0.014 0.000 1.231 174 P CA -0.347 62.745 63.100 -0.012 0.000 0.790 174 P CB 1.114 32.807 31.700 -0.012 0.000 0.951 175 D N 0.652 121.044 120.400 -0.014 0.000 2.158 175 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 175 D C 1.597 177.882 176.300 -0.025 0.000 0.995 175 D CA 1.366 55.356 54.000 -0.016 0.000 0.846 175 D CB -0.158 40.634 40.800 -0.013 0.000 0.941 175 D HN 0.653 nan 8.370 nan 0.000 0.456 176 E N 0.091 120.275 120.200 -0.026 0.000 2.085 176 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 176 E C 2.100 178.674 176.600 -0.044 0.000 0.994 176 E CA 0.714 57.093 56.400 -0.035 0.000 0.801 176 E CB -0.089 29.596 29.700 -0.027 0.000 0.743 176 E HN 0.138 nan 8.360 nan 0.000 0.453 177 L N 0.899 122.103 121.223 -0.032 0.000 2.044 177 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 177 L C 2.221 179.070 176.870 -0.034 0.000 1.075 177 L CA 1.512 56.334 54.840 -0.031 0.000 0.747 177 L CB -0.537 41.511 42.059 -0.018 0.000 0.903 177 L HN 0.225 nan 8.230 nan 0.000 0.435 178 L N -0.174 121.033 121.223 -0.027 0.000 2.083 178 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 178 L C 2.614 179.467 176.870 -0.029 0.000 1.083 178 L CA 1.117 55.944 54.840 -0.022 0.000 0.752 178 L CB -1.024 41.025 42.059 -0.016 0.000 0.899 178 L HN 0.396 nan 8.230 nan 0.000 0.433 179 A N -0.033 122.760 122.820 -0.044 0.000 2.125 179 A HA -0.077 4.242 4.320 -0.000 0.000 0.219 179 A C 2.064 179.586 177.584 -0.104 0.000 1.156 179 A CA 1.161 53.162 52.037 -0.060 0.000 0.671 179 A CB -0.515 18.444 19.000 -0.068 0.000 0.794 179 A HN 0.451 nan 8.150 nan 0.000 0.459 180 L N -0.538 120.616 121.223 -0.114 0.000 2.592 180 L HA 0.131 4.470 4.340 -0.000 0.000 0.227 180 L C -0.092 176.758 176.870 -0.033 0.000 1.127 180 L CA -0.289 54.460 54.840 -0.152 0.000 0.884 180 L CB 0.162 42.128 42.059 -0.155 0.000 1.065 180 L HN 0.033 nan 8.230 nan 0.000 0.457 181 V N 0.441 120.348 119.914 -0.013 0.000 2.509 181 V HA 0.080 4.200 4.120 -0.000 0.000 0.284 181 V C 0.603 176.715 176.094 0.031 0.000 1.047 181 V CA -0.199 62.109 62.300 0.014 0.000 0.952 181 V CB 1.681 33.509 31.823 0.008 0.000 0.988 181 V HN 0.185 nan 8.190 nan 0.000 0.469 182 D N 3.102 123.527 120.400 0.041 0.000 2.259 182 D HA 0.207 4.847 4.640 -0.000 0.000 0.216 182 D C 0.280 176.606 176.300 0.044 0.000 0.961 182 D CA 1.116 55.144 54.000 0.047 0.000 0.878 182 D CB 0.923 41.751 40.800 0.046 0.000 1.009 182 D HN 0.385 nan 8.370 nan 0.000 0.490 183 I N 1.458 122.049 120.570 0.034 0.000 2.447 183 I HA 0.352 4.522 4.170 -0.000 0.000 0.287 183 I C -0.722 175.413 176.117 0.031 0.000 1.023 183 I CA -0.588 60.732 61.300 0.034 0.000 1.083 183 I CB 2.996 41.011 38.000 0.026 0.000 1.245 183 I HN -0.180 nan 8.210 nan 0.000 0.434 184 I N 5.093 125.681 120.570 0.030 0.000 2.530 184 I HA 0.457 4.627 4.170 -0.000 0.000 0.297 184 I C -0.083 176.061 176.117 0.046 0.000 1.011 184 I CA -0.224 61.093 61.300 0.028 0.000 1.107 184 I CB 2.237 40.242 38.000 0.009 0.000 1.285 184 I HN 0.689 nan 8.210 nan 0.000 0.436 185 T N 3.293 117.880 114.554 0.055 0.000 3.514 185 T HA 0.471 4.821 4.350 -0.000 0.000 0.259 185 T C -2.705 172.024 174.700 0.049 0.000 1.466 185 T CA -1.637 60.510 62.100 0.079 0.000 1.562 185 T CB 0.135 69.083 68.868 0.133 0.000 0.924 185 T HN 0.234 nan 8.240 nan 0.000 0.678 186 P HA 0.235 nan 4.420 nan 0.000 0.274 186 P C -0.081 177.221 177.300 0.004 0.000 1.231 186 P CA -0.273 62.835 63.100 0.013 0.000 0.790 186 P CB 0.828 32.531 31.700 0.006 0.000 0.951 187 N N 0.994 119.690 118.700 -0.007 0.000 2.431 187 N HA 0.055 4.795 4.740 -0.000 0.000 0.289 187 N C 0.818 176.321 175.510 -0.012 0.000 1.277 187 N CA -0.196 52.843 53.050 -0.018 0.000 0.972 187 N CB -0.207 38.267 38.487 -0.022 0.000 1.143 187 N HN 0.324 nan 8.380 nan 0.000 0.578 188 E N -1.093 119.098 120.200 -0.016 0.000 2.106 188 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 188 E C 1.342 177.932 176.600 -0.017 0.000 0.984 188 E CA 1.731 58.120 56.400 -0.018 0.000 0.806 188 E CB -0.296 29.392 29.700 -0.020 0.000 0.750 188 E HN 0.658 nan 8.360 nan 0.000 0.458 189 T N 1.140 115.687 114.554 -0.012 0.000 2.746 189 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 189 T C 1.586 176.280 174.700 -0.011 0.000 1.039 189 T CA 1.437 63.531 62.100 -0.011 0.000 1.142 189 T CB -0.194 68.670 68.868 -0.007 0.000 0.866 189 T HN 0.218 nan 8.240 nan 0.000 0.444 190 E N 1.333 121.528 120.200 -0.009 0.000 2.047 190 E HA 0.001 4.350 4.350 -0.000 0.000 0.191 190 E C 2.578 179.172 176.600 -0.011 0.000 0.987 190 E CA 0.971 57.367 56.400 -0.008 0.000 0.799 190 E CB -0.289 29.409 29.700 -0.003 0.000 0.752 190 E HN 0.454 nan 8.360 nan 0.000 0.449 191 A N 1.416 124.228 122.820 -0.013 0.000 1.940 191 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 191 A C 2.112 179.683 177.584 -0.022 0.000 1.176 191 A CA 1.815 53.841 52.037 -0.018 0.000 0.631 191 A CB -0.507 18.481 19.000 -0.021 0.000 0.814 191 A HN 0.278 nan 8.150 nan 0.000 0.446 192 E N -0.501 119.686 120.200 -0.022 0.000 2.072 192 E HA -0.242 4.107 4.350 -0.000 0.000 0.191 192 E C 2.014 178.603 176.600 -0.018 0.000 0.985 192 E CA 1.519 57.906 56.400 -0.022 0.000 0.801 192 E CB -0.077 29.610 29.700 -0.021 0.000 0.750 192 E HN 0.504 nan 8.360 nan 0.000 0.452 193 K N 0.283 120.674 120.400 -0.015 0.000 2.148 193 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 193 K C 1.894 178.486 176.600 -0.012 0.000 1.050 193 K CA 0.900 57.180 56.287 -0.012 0.000 0.942 193 K CB 0.014 32.508 32.500 -0.010 0.000 0.724 193 K HN 0.163 nan 8.250 nan 0.000 0.446 194 L N -0.552 120.663 121.223 -0.014 0.000 2.416 194 L HA 0.031 4.371 4.340 -0.000 0.000 0.216 194 L C 1.791 178.652 176.870 -0.016 0.000 1.098 194 L CA 1.278 56.109 54.840 -0.014 0.000 0.840 194 L CB -0.029 42.021 42.059 -0.015 0.000 0.981 194 L HN 0.378 nan 8.230 nan 0.000 0.462 195 T N -5.543 109.000 114.554 -0.018 0.000 2.955 195 T HA 0.228 4.578 4.350 -0.000 0.000 0.251 195 T C 1.365 176.054 174.700 -0.018 0.000 1.002 195 T CA 0.513 62.601 62.100 -0.019 0.000 0.970 195 T CB 0.859 69.712 68.868 -0.025 0.000 1.091 195 T HN 0.263 nan 8.240 nan 0.000 0.495 196 G N 1.570 110.359 108.800 -0.018 0.000 2.160 196 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.244 196 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.244 196 G C -0.150 174.737 174.900 -0.021 0.000 1.022 196 G CA 0.199 45.288 45.100 -0.017 0.000 0.741 196 G HN 0.674 nan 8.290 nan 0.000 0.508 197 I N -0.111 120.443 120.570 -0.027 0.000 2.466 197 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 197 I C 0.618 176.712 176.117 -0.038 0.000 1.026 197 I CA -1.042 60.238 61.300 -0.034 0.000 1.078 197 I CB 1.726 39.702 38.000 -0.040 0.000 1.249 197 I HN 0.173 nan 8.210 nan 0.000 0.429 198 R N 5.636 126.114 120.500 -0.037 0.000 2.438 198 R HA 0.430 4.770 4.340 -0.000 0.000 0.287 198 R C -1.290 174.980 176.300 -0.050 0.000 1.077 198 R CA -0.253 55.825 56.100 -0.036 0.000 1.034 198 R CB 1.015 31.298 30.300 -0.030 0.000 0.993 198 R HN 0.423 nan 8.270 nan 0.000 0.459 199 V N 5.825 125.708 119.914 -0.050 0.000 2.277 199 V HA 0.154 4.274 4.120 -0.000 0.000 0.269 199 V C 0.268 176.326 176.094 -0.061 0.000 1.036 199 V CA -0.127 62.132 62.300 -0.069 0.000 0.821 199 V CB 1.078 32.858 31.823 -0.071 0.000 1.052 199 V HN 0.957 nan 8.190 nan 0.000 0.462 200 E N 3.037 123.197 120.200 -0.067 0.000 2.490 200 E HA 0.160 4.510 4.350 -0.000 0.000 0.209 200 E C 0.156 176.719 176.600 -0.061 0.000 0.971 200 E CA 0.066 56.434 56.400 -0.053 0.000 0.988 200 E CB 0.752 30.427 29.700 -0.043 0.000 1.029 200 E HN 0.869 nan 8.360 nan 0.000 0.496 201 N N -1.074 117.571 118.700 -0.093 0.000 3.116 201 N HA 0.012 4.752 4.740 -0.000 0.000 0.244 201 N C -0.343 175.054 175.510 -0.188 0.000 1.485 201 N CA -0.474 52.514 53.050 -0.103 0.000 0.884 201 N CB 0.423 38.862 38.487 -0.081 0.000 1.415 201 N HN -0.370 nan 8.380 nan 0.000 0.524 202 D N -0.063 120.223 120.400 -0.190 0.000 2.182 202 D HA -0.184 4.456 4.640 -0.000 0.000 0.201 202 D C 1.153 177.102 176.300 -0.586 0.000 0.986 202 D CA 1.531 55.300 54.000 -0.385 0.000 0.847 202 D CB 0.100 40.806 40.800 -0.157 0.000 0.942 202 D HN 0.798 nan 8.370 nan 0.000 0.467 203 E N 0.415 120.422 120.200 -0.322 0.000 2.106 203 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 203 E C 1.180 177.614 176.600 -0.277 0.000 0.984 203 E CA 0.973 57.209 56.400 -0.273 0.000 0.806 203 E CB 0.202 29.818 29.700 -0.140 0.000 0.750 203 E HN 0.079 nan 8.360 nan 0.000 0.458 204 D N 0.635 120.892 120.400 -0.238 0.000 2.117 204 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 204 D C 1.879 178.009 176.300 -0.282 0.000 0.987 204 D CA 1.432 55.311 54.000 -0.201 0.000 0.829 204 D CB -0.423 40.288 40.800 -0.148 0.000 0.961 204 D HN 0.322 nan 8.370 nan 0.000 0.460 205 A N 1.162 123.718 122.820 -0.439 0.000 1.883 205 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 205 A C 2.326 179.522 177.584 -0.646 0.000 1.186 205 A CA 2.488 54.189 52.037 -0.560 0.000 0.624 205 A CB -0.780 17.752 19.000 -0.781 0.000 0.822 205 A HN 0.253 nan 8.150 nan 0.000 0.444 206 A N -0.747 121.574 122.820 -0.831 0.000 2.015 206 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 206 A C 2.089 179.623 177.584 -0.083 0.000 1.163 206 A CA 1.784 53.618 52.037 -0.337 0.000 0.646 206 A CB -0.333 18.541 19.000 -0.210 0.000 0.806 206 A HN 0.558 nan 8.150 nan 0.000 0.448 207 K N -0.376 119.943 120.400 -0.135 0.000 2.031 207 K HA 0.039 4.359 4.320 -0.000 0.000 0.205 207 K C 2.299 178.873 176.600 -0.043 0.000 1.049 207 K CA 1.023 57.273 56.287 -0.061 0.000 0.939 207 K CB -0.269 32.189 32.500 -0.070 0.000 0.717 207 K HN 0.405 nan 8.250 nan 0.000 0.438 208 A N 1.307 124.082 122.820 -0.074 0.000 1.933 208 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 208 A C 2.307 179.867 177.584 -0.040 0.000 1.175 208 A CA 1.793 53.798 52.037 -0.052 0.000 0.628 208 A CB -0.660 18.303 19.000 -0.062 0.000 0.814 208 A HN 0.339 nan 8.150 nan 0.000 0.444 209 A N -0.759 122.049 122.820 -0.020 0.000 1.902 209 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 209 A C 2.155 179.705 177.584 -0.057 0.000 1.181 209 A CA 2.150 54.165 52.037 -0.036 0.000 0.623 209 A CB -0.557 18.546 19.000 0.173 0.000 0.818 209 A HN 0.540 nan 8.150 nan 0.000 0.443 210 Q N 0.002 119.869 119.800 0.111 0.000 2.030 210 Q HA -0.130 4.209 4.340 -0.000 0.000 0.204 210 Q C 1.865 177.919 176.000 0.090 0.000 0.986 210 Q CA 2.358 58.269 55.803 0.181 0.000 0.843 210 Q CB -0.777 28.041 28.738 0.134 0.000 0.904 210 Q HN 0.312 nan 8.270 nan 0.000 0.420 211 V N 0.486 120.418 119.914 0.030 0.000 2.392 211 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 211 V C 2.264 178.355 176.094 -0.004 0.000 1.059 211 V CA 1.797 64.105 62.300 0.013 0.000 1.051 211 V CB -0.541 31.280 31.823 -0.003 0.000 0.658 211 V HN 0.390 nan 8.190 nan 0.000 0.455 212 L N -1.235 119.956 121.223 -0.054 0.000 2.156 212 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 212 L C 2.579 179.410 176.870 -0.065 0.000 1.095 212 L CA 1.132 55.920 54.840 -0.086 0.000 0.770 212 L CB -0.799 41.180 42.059 -0.133 0.000 0.914 212 L HN 0.411 nan 8.230 nan 0.000 0.439 213 H N 0.018 119.111 119.070 0.038 0.000 2.423 213 H HA -0.120 4.436 4.556 -0.000 0.000 0.297 213 H C 1.850 177.192 175.328 0.024 0.000 1.075 213 H CA 1.211 57.279 56.048 0.034 0.000 1.342 213 H CB 0.110 29.898 29.762 0.042 0.000 1.395 213 H HN 0.449 nan 8.280 nan 0.000 0.530 214 E N 0.411 120.690 120.200 0.131 0.000 2.427 214 E HA -0.051 4.299 4.350 -0.000 0.000 0.196 214 E C 1.743 178.372 176.600 0.047 0.000 1.028 214 E CA 0.087 56.533 56.400 0.078 0.000 0.864 214 E CB 0.329 30.064 29.700 0.058 0.000 0.813 214 E HN 0.144 nan 8.360 nan 0.000 0.514 215 K N -0.698 119.724 120.400 0.037 0.000 2.486 215 K HA 0.042 4.362 4.320 -0.000 0.000 0.194 215 K C 1.133 177.743 176.600 0.018 0.000 1.033 215 K CA 0.857 57.154 56.287 0.017 0.000 1.004 215 K CB 0.934 33.435 32.500 0.002 0.000 0.798 215 K HN 0.274 nan 8.250 nan 0.000 0.495 216 G N 1.176 110.001 108.800 0.041 0.000 2.192 216 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.193 216 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.193 216 G C 0.074 175.010 174.900 0.059 0.000 0.999 216 G CA -0.470 44.655 45.100 0.042 0.000 0.659 216 G HN 0.196 nan 8.290 nan 0.000 0.503 217 I N 1.427 122.037 120.570 0.067 0.000 2.301 217 I HA 0.321 4.490 4.170 -0.000 0.000 0.292 217 I C 1.578 177.807 176.117 0.186 0.000 1.046 217 I CA -0.607 60.738 61.300 0.074 0.000 1.282 217 I CB 1.327 39.335 38.000 0.014 0.000 1.409 217 I HN 0.164 nan 8.210 nan 0.000 0.484 218 R N 3.632 124.234 120.500 0.170 0.000 2.090 218 R HA 0.010 4.349 4.340 -0.000 0.000 0.228 218 R C 0.094 176.553 176.300 0.264 0.000 1.110 218 R CA 1.063 57.287 56.100 0.206 0.000 0.973 218 R CB 0.315 30.671 30.300 0.093 0.000 0.869 218 R HN 0.599 nan 8.270 nan 0.000 0.440 219 T N 1.133 115.787 114.554 0.167 0.000 2.791 219 T HA 0.407 4.756 4.350 -0.000 0.000 0.288 219 T C -1.232 173.520 174.700 0.087 0.000 0.999 219 T CA -0.558 61.627 62.100 0.141 0.000 0.952 219 T CB 2.075 70.986 68.868 0.072 0.000 0.938 219 T HN -0.160 nan 8.240 nan 0.000 0.444 220 V N 5.375 125.340 119.914 0.085 0.000 2.409 220 V HA 0.490 4.610 4.120 -0.000 0.000 0.291 220 V C -0.511 175.626 176.094 0.071 0.000 1.020 220 V CA -0.857 61.450 62.300 0.011 0.000 0.848 220 V CB 1.624 33.366 31.823 -0.135 0.000 0.990 220 V HN 0.710 nan 8.190 nan 0.000 0.430 221 L N 6.252 127.523 121.223 0.081 0.000 2.319 221 L HA 0.589 4.929 4.340 -0.000 0.000 0.281 221 L C -0.560 176.377 176.870 0.110 0.000 1.005 221 L CA -0.317 54.588 54.840 0.109 0.000 0.828 221 L CB 1.943 44.088 42.059 0.143 0.000 1.227 221 L HN 0.528 nan 8.230 nan 0.000 0.415 222 I N 3.201 123.864 120.570 0.155 0.000 2.307 222 I HA 0.131 4.301 4.170 -0.000 0.000 0.289 222 I C 0.809 176.965 176.117 0.066 0.000 1.021 222 I CA -0.354 61.010 61.300 0.107 0.000 1.224 222 I CB 1.808 39.888 38.000 0.132 0.000 1.376 222 I HN 0.603 nan 8.210 nan 0.000 0.470 223 T N 4.595 119.132 114.554 -0.027 0.000 2.919 223 T HA 0.377 4.727 4.350 -0.000 0.000 0.302 223 T C 0.290 174.962 174.700 -0.046 0.000 1.031 223 T CA -0.369 61.665 62.100 -0.109 0.000 1.127 223 T CB 1.097 69.828 68.868 -0.229 0.000 0.952 223 T HN 0.492 nan 8.240 nan 0.000 0.540 224 L N 2.274 123.474 121.223 -0.038 0.000 3.288 224 L HA 0.429 4.769 4.340 -0.000 0.000 0.293 224 L C 1.618 178.471 176.870 -0.028 0.000 1.294 224 L CA -0.450 54.382 54.840 -0.012 0.000 1.006 224 L CB -0.604 41.472 42.059 0.028 0.000 1.407 224 L HN 1.202 nan 8.230 nan 0.000 0.592 225 G N 1.757 110.528 108.800 -0.049 0.000 2.622 225 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.307 225 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.307 225 G C 1.020 175.890 174.900 -0.049 0.000 1.226 225 G CA 0.816 45.890 45.100 -0.044 0.000 0.997 225 G HN 0.516 nan 8.290 nan 0.000 0.551 226 S N 0.292 115.971 115.700 -0.036 0.000 2.555 226 S HA 0.083 4.552 4.470 -0.000 0.000 0.230 226 S C 1.809 176.376 174.600 -0.054 0.000 0.978 226 S CA 1.401 59.576 58.200 -0.041 0.000 0.934 226 S CB -0.012 63.176 63.200 -0.021 0.000 0.766 226 S HN 0.662 nan 8.310 nan 0.000 0.533 227 R N 1.193 121.668 120.500 -0.041 0.000 2.335 227 R HA 0.317 4.656 4.340 -0.000 0.000 0.223 227 R C 1.559 177.837 176.300 -0.037 0.000 0.940 227 R CA 0.336 56.417 56.100 -0.032 0.000 1.086 227 R CB -0.326 29.972 30.300 -0.003 0.000 1.073 227 R HN 0.588 nan 8.270 nan 0.000 0.504 228 G N 0.734 109.485 108.800 -0.082 0.000 2.527 228 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.262 228 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.262 228 G C -0.634 174.329 174.900 0.105 0.000 1.153 228 G CA -0.162 44.896 45.100 -0.070 0.000 0.954 228 G HN 0.247 nan 8.290 nan 0.000 0.552 229 V N 0.977 121.006 119.914 0.191 0.000 2.888 229 V HA 0.674 4.793 4.120 -0.000 0.000 0.309 229 V C -1.300 174.903 176.094 0.182 0.000 1.114 229 V CA -0.413 61.969 62.300 0.136 0.000 0.940 229 V CB 1.940 33.805 31.823 0.069 0.000 1.021 229 V HN 1.278 nan 8.190 nan 0.000 0.426 230 W N 7.393 128.705 121.300 0.021 0.000 2.311 230 W HA 0.725 5.385 4.660 -0.000 0.000 0.317 230 W C -0.366 176.178 176.519 0.042 0.000 1.065 230 W CA -0.410 56.952 57.345 0.029 0.000 1.364 230 W CB 1.175 30.645 29.460 0.015 0.000 1.233 230 W HN 0.863 nan 8.180 nan 0.000 0.409 231 A N 4.553 127.089 122.820 -0.472 0.000 2.260 231 A HA 0.495 4.815 4.320 -0.000 0.000 0.308 231 A C -0.648 176.680 177.584 -0.426 0.000 1.254 231 A CA -0.303 51.550 52.037 -0.307 0.000 0.874 231 A CB 1.171 20.057 19.000 -0.190 0.000 1.153 231 A HN 0.450 nan 8.150 nan 0.000 0.527 232 S N 2.096 117.728 115.700 -0.112 0.000 2.594 232 S HA 0.574 5.043 4.470 -0.000 0.000 0.296 232 S C -1.209 173.527 174.600 0.227 0.000 1.124 232 S CA -0.404 57.840 58.200 0.073 0.000 1.011 232 S CB 1.129 64.556 63.200 0.379 0.000 1.016 232 S HN 0.773 nan 8.310 nan 0.000 0.485 233 V N 6.119 126.079 119.914 0.077 0.000 2.326 233 V HA 0.443 4.563 4.120 -0.000 0.000 0.281 233 V C 0.136 176.109 176.094 -0.201 0.000 1.015 233 V CA -0.850 61.462 62.300 0.019 0.000 0.823 233 V CB 0.840 32.653 31.823 -0.017 0.000 1.009 233 V HN 1.032 nan 8.190 nan 0.000 0.436 234 N N 4.431 122.807 118.700 -0.539 0.000 2.702 234 N HA -0.236 4.504 4.740 -0.000 0.000 0.255 234 N C 1.234 176.390 175.510 -0.590 0.000 0.983 234 N CA 1.607 54.176 53.050 -0.801 0.000 0.768 234 N CB -0.727 37.588 38.487 -0.285 0.000 0.918 234 N HN 1.389 nan 8.380 nan 0.000 0.540 235 G N -1.135 107.296 108.800 -0.614 0.000 2.195 235 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.224 235 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.224 235 G C -0.318 174.596 174.900 0.022 0.000 0.990 235 G CA 0.234 45.270 45.100 -0.106 0.000 0.639 235 G HN 0.533 nan 8.290 nan 0.000 0.514 236 E N 0.520 120.704 120.200 -0.025 0.000 2.109 236 E HA 0.563 4.912 4.350 -0.000 0.000 0.278 236 E C 0.336 176.915 176.600 -0.036 0.000 0.954 236 E CA -0.090 56.305 56.400 -0.007 0.000 0.779 236 E CB 1.699 31.375 29.700 -0.040 0.000 1.093 236 E HN 0.509 nan 8.360 nan 0.000 0.401 237 G N 2.454 111.227 108.800 -0.046 0.000 2.612 237 G HA2 0.530 4.490 3.960 -0.000 0.000 0.298 237 G HA3 0.530 4.490 3.960 -0.000 0.000 0.298 237 G C -1.323 173.148 174.900 -0.716 0.000 1.336 237 G CA -0.598 44.271 45.100 -0.385 0.000 0.953 237 G HN 0.484 nan 8.290 nan 0.000 0.482 238 Q N -0.376 118.690 119.800 -1.223 0.000 2.522 238 Q HA 0.573 4.913 4.340 -0.000 0.000 0.285 238 Q C -1.109 174.408 176.000 -0.806 0.000 0.982 238 Q CA -1.087 54.195 55.803 -0.868 0.000 0.805 238 Q CB 1.888 30.434 28.738 -0.319 0.000 1.457 238 Q HN 0.531 nan 8.270 nan 0.000 0.394 239 R N 1.072 121.439 120.500 -0.221 0.000 2.308 239 R HA 0.502 4.841 4.340 -0.000 0.000 0.305 239 R C -1.205 175.095 176.300 -0.000 0.000 1.053 239 R CA -0.358 55.770 56.100 0.048 0.000 0.957 239 R CB 1.118 31.568 30.300 0.249 0.000 1.022 239 R HN 0.541 nan 8.270 nan 0.000 0.461 240 V N 8.022 127.960 119.914 0.041 0.000 2.311 240 V HA 0.289 4.409 4.120 -0.000 0.000 0.275 240 V C -2.096 174.069 176.094 0.119 0.000 1.022 240 V CA -2.131 60.218 62.300 0.082 0.000 0.830 240 V CB 1.187 33.079 31.823 0.116 0.000 1.012 240 V HN 0.819 nan 8.190 nan 0.000 0.452 241 P HA 0.194 nan 4.420 nan 0.000 0.269 241 P C 0.500 177.538 177.300 -0.438 0.000 1.209 241 P CA 0.393 63.407 63.100 -0.143 0.000 0.776 241 P CB 0.723 32.356 31.700 -0.111 0.000 0.876 242 G N 1.216 109.640 108.800 -0.627 0.000 2.557 242 G HA2 0.429 4.389 3.960 -0.000 0.000 0.292 242 G HA3 0.429 4.389 3.960 -0.000 0.000 0.292 242 G C -0.812 173.766 174.900 -0.537 0.000 1.237 242 G CA -0.500 44.004 45.100 -0.995 0.000 0.978 242 G HN 0.256 nan 8.290 nan 0.000 0.498 243 F N -0.848 119.020 119.950 -0.137 0.000 2.382 243 F HA 0.461 4.988 4.527 -0.000 0.000 0.331 243 F C 1.178 176.987 175.800 0.016 0.000 1.121 243 F CA -0.135 57.881 58.000 0.027 0.000 1.183 243 F CB 1.106 40.224 39.000 0.196 0.000 1.207 243 F HN 0.085 nan 8.300 nan 0.000 0.555 244 R N 1.377 122.029 120.500 0.253 0.000 2.207 244 R HA 0.620 4.959 4.340 -0.000 0.000 0.334 244 R C -1.136 175.254 176.300 0.150 0.000 1.013 244 R CA -0.465 55.720 56.100 0.141 0.000 0.858 244 R CB 1.036 31.388 30.300 0.088 0.000 1.094 244 R HN 0.541 nan 8.270 nan 0.000 0.457 245 V N -0.326 119.656 119.914 0.112 0.000 3.160 245 V HA 0.404 4.524 4.120 -0.000 0.000 0.310 245 V C -0.679 175.449 176.094 0.057 0.000 1.181 245 V CA -1.231 61.128 62.300 0.098 0.000 1.047 245 V CB 2.038 33.928 31.823 0.113 0.000 1.068 245 V HN 0.675 nan 8.190 nan 0.000 0.441 246 Q N 1.390 121.217 119.800 0.046 0.000 2.472 246 Q HA 0.583 4.923 4.340 -0.000 0.000 0.227 246 Q C 0.353 176.365 176.000 0.020 0.000 1.156 246 Q CA -0.116 55.703 55.803 0.027 0.000 0.924 246 Q CB 0.489 29.240 28.738 0.022 0.000 1.354 246 Q HN 1.196 nan 8.270 nan 0.000 0.525 247 A N 2.764 125.594 122.820 0.017 0.000 2.466 247 A HA 0.190 4.509 4.320 -0.000 0.000 0.238 247 A C 0.415 177.999 177.584 0.000 0.000 1.074 247 A CA -0.184 51.858 52.037 0.009 0.000 0.774 247 A CB 0.881 19.886 19.000 0.008 0.000 1.015 247 A HN 0.689 nan 8.150 nan 0.000 0.498 248 V N 0.129 120.040 119.914 -0.005 0.000 3.219 248 V HA 0.186 4.306 4.120 -0.000 0.000 0.214 248 V C -0.341 175.743 176.094 -0.016 0.000 1.433 248 V CA 0.972 63.263 62.300 -0.016 0.000 1.301 248 V CB 0.659 32.469 31.823 -0.021 0.000 1.160 248 V HN 0.942 nan 8.190 nan 0.000 0.505 249 D N 0.152 120.545 120.400 -0.010 0.000 2.736 249 D HA 0.236 4.876 4.640 -0.000 0.000 0.243 249 D C 0.635 176.938 176.300 0.004 0.000 1.304 249 D CA 0.648 54.646 54.000 -0.003 0.000 0.934 249 D CB 2.292 43.086 40.800 -0.010 0.000 1.382 249 D HN 0.309 nan 8.370 nan 0.000 0.571 250 T N 0.978 115.540 114.554 0.013 0.000 3.065 250 T HA 0.109 4.459 4.350 -0.000 0.000 0.252 250 T C 1.641 176.352 174.700 0.018 0.000 1.099 250 T CA -0.325 61.784 62.100 0.014 0.000 1.063 250 T CB -0.239 68.639 68.868 0.017 0.000 0.948 250 T HN 0.537 nan 8.240 nan 0.000 0.506 251 I N 0.015 120.600 120.570 0.024 0.000 2.880 251 I HA 0.301 4.471 4.170 -0.000 0.000 0.296 251 I C 1.169 177.295 176.117 0.014 0.000 1.220 251 I CA 0.453 61.767 61.300 0.024 0.000 1.435 251 I CB -0.284 37.732 38.000 0.028 0.000 1.339 251 I HN 0.409 nan 8.210 nan 0.000 0.583 252 A N 3.120 125.949 122.820 0.015 0.000 2.945 252 A HA -0.242 4.077 4.320 -0.000 0.000 0.263 252 A C 1.721 179.313 177.584 0.014 0.000 1.293 252 A CA 1.427 53.471 52.037 0.011 0.000 0.944 252 A CB -2.100 16.901 19.000 0.001 0.000 1.093 252 A HN 1.761 nan 8.150 nan 0.000 0.786 253 A N -0.685 122.145 122.820 0.016 0.000 1.902 253 A HA 0.224 4.544 4.320 -0.000 0.000 0.217 253 A C 2.608 180.227 177.584 0.059 0.000 1.181 253 A CA 2.119 54.172 52.037 0.026 0.000 0.623 253 A CB -1.193 17.814 19.000 0.012 0.000 0.818 253 A HN 1.884 nan 8.150 nan 0.000 0.443 254 G N -0.527 108.297 108.800 0.039 0.000 2.422 254 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 254 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 254 G C 1.110 176.083 174.900 0.122 0.000 1.140 254 G CA 1.104 46.242 45.100 0.064 0.000 0.775 254 G HN 0.452 nan 8.290 nan 0.000 0.545 255 D N 0.360 120.799 120.400 0.066 0.000 2.117 255 D HA -0.066 4.573 4.640 -0.000 0.000 0.198 255 D C 2.600 178.924 176.300 0.039 0.000 0.982 255 D CA 1.260 55.285 54.000 0.041 0.000 0.828 255 D CB -0.380 40.424 40.800 0.007 0.000 0.967 255 D HN 0.186 nan 8.370 nan 0.000 0.464 256 T N 0.350 114.932 114.554 0.046 0.000 2.857 256 T HA -0.097 4.252 4.350 -0.000 0.000 0.266 256 T C 1.641 176.368 174.700 0.045 0.000 1.048 256 T CA 0.390 62.495 62.100 0.008 0.000 1.139 256 T CB -0.265 68.598 68.868 -0.007 0.000 0.874 256 T HN 0.130 nan 8.240 nan 0.000 0.455 257 F N 2.557 122.484 119.950 -0.040 0.000 2.113 257 F HA -0.043 4.484 4.527 -0.000 0.000 0.297 257 F C 2.185 177.971 175.800 -0.023 0.000 1.103 257 F CA 1.110 59.092 58.000 -0.029 0.000 1.248 257 F CB -0.353 38.641 39.000 -0.009 0.000 0.999 257 F HN 0.064 nan 8.300 nan 0.000 0.475 258 N N 0.493 119.275 118.700 0.137 0.000 2.120 258 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 258 N C 2.051 177.513 175.510 -0.079 0.000 1.024 258 N CA 1.425 54.482 53.050 0.012 0.000 0.852 258 N CB -0.805 37.731 38.487 0.081 0.000 1.003 258 N HN 0.492 nan 8.380 nan 0.000 0.424 259 G N 0.632 109.394 108.800 -0.062 0.000 2.402 259 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.216 259 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.216 259 G C 1.626 176.488 174.900 -0.062 0.000 1.162 259 G CA 0.922 45.978 45.100 -0.074 0.000 0.777 259 G HN 0.403 nan 8.290 nan 0.000 0.539 260 A N 0.194 122.977 122.820 -0.062 0.000 1.930 260 A HA 0.227 4.547 4.320 -0.000 0.000 0.215 260 A C 2.283 179.894 177.584 0.046 0.000 1.176 260 A CA 1.334 53.403 52.037 0.054 0.000 0.632 260 A CB -0.370 18.619 19.000 -0.020 0.000 0.819 260 A HN 0.367 nan 8.150 nan 0.000 0.445 261 L N 0.417 121.516 121.223 -0.207 0.000 1.971 261 L HA -0.217 4.123 4.340 -0.000 0.000 0.215 261 L C 2.137 178.925 176.870 -0.137 0.000 1.072 261 L CA 2.082 56.765 54.840 -0.262 0.000 0.758 261 L CB -0.455 41.320 42.059 -0.472 0.000 0.889 261 L HN 0.365 nan 8.230 nan 0.000 0.433 262 I N -0.858 119.645 120.570 -0.112 0.000 2.264 262 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 262 I C 2.440 178.508 176.117 -0.082 0.000 1.111 262 I CA 1.682 62.933 61.300 -0.081 0.000 1.382 262 I CB -2.148 35.817 38.000 -0.059 0.000 1.060 262 I HN 0.330 nan 8.210 nan 0.000 0.418 263 T N 1.490 116.001 114.554 -0.072 0.000 2.652 263 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 263 T C 2.081 176.667 174.700 -0.191 0.000 1.039 263 T CA 1.887 63.931 62.100 -0.095 0.000 1.153 263 T CB -0.302 68.544 68.868 -0.035 0.000 0.863 263 T HN 0.484 nan 8.240 nan 0.000 0.428 264 A N 1.035 123.698 122.820 -0.261 0.000 1.908 264 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 264 A C 2.314 179.779 177.584 -0.200 0.000 1.181 264 A CA 1.302 53.124 52.037 -0.357 0.000 0.627 264 A CB -0.865 17.934 19.000 -0.334 0.000 0.818 264 A HN 0.496 nan 8.150 nan 0.000 0.445 265 L N -0.699 120.442 121.223 -0.136 0.000 2.083 265 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 265 L C 2.203 179.020 176.870 -0.087 0.000 1.083 265 L CA 0.899 55.681 54.840 -0.097 0.000 0.752 265 L CB -0.450 41.564 42.059 -0.075 0.000 0.899 265 L HN 0.366 nan 8.230 nan 0.000 0.433 266 L N -0.656 120.513 121.223 -0.089 0.000 2.551 266 L HA -0.093 4.247 4.340 -0.000 0.000 0.228 266 L C 1.659 178.480 176.870 -0.080 0.000 1.153 266 L CA 0.573 55.370 54.840 -0.072 0.000 0.851 266 L CB -0.326 41.696 42.059 -0.061 0.000 0.959 266 L HN 0.291 nan 8.230 nan 0.000 0.451 267 E N 0.114 120.248 120.200 -0.110 0.000 2.465 267 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 267 E C 0.048 176.594 176.600 -0.090 0.000 1.053 267 E CA -0.133 56.201 56.400 -0.110 0.000 0.869 267 E CB 0.287 29.890 29.700 -0.161 0.000 0.977 267 E HN 0.319 nan 8.360 nan 0.000 0.483 268 E N 0.387 120.540 120.200 -0.078 0.000 3.496 268 E HA -0.204 4.145 4.350 -0.000 0.000 0.300 268 E C -0.519 176.044 176.600 -0.063 0.000 0.877 268 E CA 0.542 56.906 56.400 -0.061 0.000 1.050 268 E CB -0.940 28.732 29.700 -0.048 0.000 1.532 268 E HN 0.237 nan 8.360 nan 0.000 0.447 269 K N 1.519 121.869 120.400 -0.084 0.000 2.448 269 K HA 0.113 4.433 4.320 -0.000 0.000 0.278 269 K C -2.147 174.420 176.600 -0.056 0.000 1.009 269 K CA -0.949 55.294 56.287 -0.073 0.000 0.995 269 K CB 0.286 32.724 32.500 -0.103 0.000 0.917 269 K HN -0.042 nan 8.250 nan 0.000 0.481 270 P HA -0.063 nan 4.420 nan 0.000 0.272 270 P C 0.685 177.964 177.300 -0.034 0.000 1.230 270 P CA -0.424 62.656 63.100 -0.033 0.000 0.788 270 P CB 0.552 32.238 31.700 -0.024 0.000 0.949 271 L N 4.078 125.279 121.223 -0.036 0.000 2.030 271 L HA -0.187 4.153 4.340 -0.000 0.000 0.222 271 L C -0.884 175.964 176.870 -0.037 0.000 1.082 271 L CA 3.023 57.838 54.840 -0.041 0.000 0.785 271 L CB -2.505 39.531 42.059 -0.040 0.000 0.895 271 L HN 0.392 nan 8.230 nan 0.000 0.439 272 P HA -0.188 nan 4.420 nan 0.000 0.215 272 P C 1.538 178.847 177.300 0.014 0.000 1.157 272 P CA 1.553 64.645 63.100 -0.013 0.000 0.863 272 P CB -0.071 31.622 31.700 -0.012 0.000 0.787 273 E N -0.353 119.857 120.200 0.017 0.000 2.110 273 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 273 E C 1.928 178.565 176.600 0.060 0.000 0.988 273 E CA 1.204 57.633 56.400 0.047 0.000 0.804 273 E CB -0.415 29.301 29.700 0.027 0.000 0.745 273 E HN 0.069 nan 8.360 nan 0.000 0.458 274 A N 0.853 123.675 122.820 0.004 0.000 1.898 274 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 274 A C 2.110 179.684 177.584 -0.018 0.000 1.181 274 A CA 1.053 53.084 52.037 -0.010 0.000 0.620 274 A CB -0.517 18.439 19.000 -0.073 0.000 0.819 274 A HN 0.281 nan 8.150 nan 0.000 0.442 275 I N -0.994 119.536 120.570 -0.065 0.000 2.286 275 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 275 I C 2.687 178.759 176.117 -0.076 0.000 1.115 275 I CA 1.451 62.662 61.300 -0.149 0.000 1.392 275 I CB -0.281 37.646 38.000 -0.121 0.000 1.065 275 I HN 0.344 nan 8.210 nan 0.000 0.418 276 R N 0.550 121.096 120.500 0.077 0.000 2.073 276 R HA -0.222 4.118 4.340 -0.000 0.000 0.234 276 R C 2.424 178.909 176.300 0.309 0.000 1.134 276 R CA 1.748 57.978 56.100 0.217 0.000 0.952 276 R CB -0.380 30.058 30.300 0.229 0.000 0.850 276 R HN 0.223 nan 8.270 nan 0.000 0.433 277 F N 0.936 120.937 119.950 0.084 0.000 2.126 277 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 277 F C 2.052 177.867 175.800 0.025 0.000 1.096 277 F CA 1.696 59.731 58.000 0.060 0.000 1.255 277 F CB -0.350 38.641 39.000 -0.014 0.000 0.997 277 F HN 0.113 nan 8.300 nan 0.000 0.479 278 A N -1.141 121.676 122.820 -0.005 0.000 1.898 278 A HA -0.149 4.170 4.320 -0.000 0.000 0.214 278 A C 2.060 179.675 177.584 0.052 0.000 1.183 278 A CA 1.448 53.364 52.037 -0.200 0.000 0.622 278 A CB -1.054 17.514 19.000 -0.720 0.000 0.824 278 A HN 0.496 nan 8.150 nan 0.000 0.444 279 H N -0.003 119.183 119.070 0.194 0.000 2.387 279 H HA 0.018 4.574 4.556 -0.000 0.000 0.299 279 H C 2.508 177.989 175.328 0.255 0.000 1.090 279 H CA 1.154 57.369 56.048 0.278 0.000 1.332 279 H CB -0.505 29.338 29.762 0.136 0.000 1.386 279 H HN 0.476 nan 8.280 nan 0.000 0.516 280 A N 0.737 123.782 122.820 0.375 0.000 1.902 280 A HA -0.108 4.211 4.320 -0.000 0.000 0.217 280 A C 2.670 179.995 177.584 -0.433 0.000 1.181 280 A CA 1.921 53.850 52.037 -0.181 0.000 0.623 280 A CB -0.860 17.999 19.000 -0.234 0.000 0.818 280 A HN 0.444 nan 8.150 nan 0.000 0.443 281 A N -0.357 122.269 122.820 -0.322 0.000 1.930 281 A HA 0.243 4.563 4.320 -0.000 0.000 0.217 281 A C 2.471 179.944 177.584 -0.185 0.000 1.175 281 A CA 1.851 53.690 52.037 -0.330 0.000 0.627 281 A CB -0.891 17.897 19.000 -0.353 0.000 0.815 281 A HN 1.001 nan 8.150 nan 0.000 0.443 282 A N -0.062 122.730 122.820 -0.046 0.000 1.898 282 A HA 0.206 4.526 4.320 -0.000 0.000 0.216 282 A C 2.480 180.041 177.584 -0.038 0.000 1.181 282 A CA 1.882 53.932 52.037 0.022 0.000 0.620 282 A CB -0.953 18.149 19.000 0.170 0.000 0.819 282 A HN 1.004 nan 8.150 nan 0.000 0.442 283 A N 0.041 122.817 122.820 -0.074 0.000 1.933 283 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 283 A C 2.084 179.569 177.584 -0.165 0.000 1.175 283 A CA 1.551 53.529 52.037 -0.099 0.000 0.628 283 A CB -0.629 18.319 19.000 -0.088 0.000 0.814 283 A HN 0.504 nan 8.150 nan 0.000 0.444 284 I N -0.173 120.223 120.570 -0.291 0.000 2.226 284 I HA -0.282 3.887 4.170 -0.000 0.000 0.245 284 I C 2.946 179.006 176.117 -0.094 0.000 1.100 284 I CA 1.067 62.255 61.300 -0.186 0.000 1.374 284 I CB -0.339 37.535 38.000 -0.209 0.000 1.057 284 I HN 0.341 nan 8.210 nan 0.000 0.413 285 A N 0.668 123.431 122.820 -0.094 0.000 1.940 285 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 285 A C 2.295 179.859 177.584 -0.033 0.000 1.176 285 A CA 2.024 54.026 52.037 -0.057 0.000 0.631 285 A CB -1.086 17.883 19.000 -0.051 0.000 0.814 285 A HN 0.408 nan 8.150 nan 0.000 0.446 286 V N -2.038 117.860 119.914 -0.027 0.000 3.510 286 V HA -0.015 4.105 4.120 -0.000 0.000 0.270 286 V C 1.707 177.796 176.094 -0.009 0.000 1.201 286 V CA 1.888 64.181 62.300 -0.012 0.000 1.166 286 V CB -1.471 30.351 31.823 -0.002 0.000 0.825 286 V HN 0.666 nan 8.190 nan 0.000 0.484 287 T N -2.195 112.352 114.554 -0.012 0.000 3.069 287 T HA 0.358 4.708 4.350 -0.000 0.000 0.252 287 T C 0.719 175.414 174.700 -0.008 0.000 1.053 287 T CA -0.299 61.798 62.100 -0.003 0.000 0.964 287 T CB 0.031 68.904 68.868 0.009 0.000 1.005 287 T HN 0.590 nan 8.240 nan 0.000 0.532 288 R N 0.441 120.933 120.500 -0.013 0.000 2.873 288 R HA 0.642 4.982 4.340 -0.000 0.000 0.264 288 R C -0.731 175.557 176.300 -0.019 0.000 1.026 288 R CA -0.970 55.122 56.100 -0.013 0.000 1.002 288 R CB 1.531 31.826 30.300 -0.007 0.000 1.174 288 R HN 0.064 nan 8.270 nan 0.000 0.488 289 K N 0.961 121.348 120.400 -0.022 0.000 2.205 289 K HA 0.432 4.751 4.320 -0.000 0.000 0.279 289 K C 0.117 176.702 176.600 -0.026 0.000 1.027 289 K CA 0.340 56.610 56.287 -0.028 0.000 0.932 289 K CB 1.504 33.981 32.500 -0.037 0.000 1.032 289 K HN 0.819 nan 8.250 nan 0.000 0.466 290 G N 1.243 110.028 108.800 -0.025 0.000 2.728 290 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.294 290 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.294 290 G C 0.193 175.083 174.900 -0.017 0.000 1.342 290 G CA -0.299 44.784 45.100 -0.028 0.000 0.866 290 G HN 0.640 nan 8.290 nan 0.000 0.534 291 A N -1.213 121.599 122.820 -0.013 0.000 2.070 291 A HA 0.353 4.672 4.320 -0.000 0.000 0.221 291 A C 2.197 179.774 177.584 -0.012 0.000 1.603 291 A CA 1.914 53.948 52.037 -0.006 0.000 0.639 291 A CB -0.679 18.326 19.000 0.009 0.000 1.235 291 A HN 0.856 nan 8.150 nan 0.000 0.518 292 Q N -0.308 119.496 119.800 0.007 0.000 2.170 292 Q HA -0.079 4.261 4.340 -0.000 0.000 0.203 292 Q C -0.802 175.193 176.000 -0.007 0.000 0.976 292 Q CA 1.764 57.568 55.803 0.002 0.000 0.858 292 Q CB -0.814 27.960 28.738 0.061 0.000 0.907 292 Q HN 0.513 nan 8.270 nan 0.000 0.433 293 P HA -0.110 nan 4.420 nan 0.000 0.223 293 P C 0.976 178.276 177.300 -0.001 0.000 1.151 293 P CA 1.334 64.441 63.100 0.011 0.000 0.787 293 P CB 0.024 31.723 31.700 -0.001 0.000 0.788 294 S N -1.711 113.976 115.700 -0.021 0.000 2.603 294 S HA 0.043 4.513 4.470 -0.000 0.000 0.220 294 S C 0.697 175.264 174.600 -0.055 0.000 0.967 294 S CA -0.143 58.040 58.200 -0.028 0.000 0.920 294 S CB -0.962 62.222 63.200 -0.026 0.000 0.773 294 S HN -0.145 nan 8.310 nan 0.000 0.529 295 V N 5.228 125.087 119.914 -0.092 0.000 2.432 295 V HA 0.365 4.485 4.120 -0.000 0.000 0.271 295 V C -1.912 174.051 176.094 -0.218 0.000 1.046 295 V CA -1.985 60.221 62.300 -0.157 0.000 0.945 295 V CB 0.832 32.534 31.823 -0.201 0.000 0.992 295 V HN 0.380 nan 8.190 nan 0.000 0.471 296 P HA 0.123 nan 4.420 nan 0.000 0.274 296 P C -0.840 176.341 177.300 -0.199 0.000 1.231 296 P CA -0.516 62.509 63.100 -0.125 0.000 0.790 296 P CB 0.801 32.434 31.700 -0.111 0.000 0.951 297 W N 1.424 122.709 121.300 -0.025 0.000 2.215 297 W HA 0.297 4.957 4.660 -0.001 0.000 0.342 297 W C 2.094 178.617 176.519 0.007 0.000 1.237 297 W CA -0.368 56.975 57.345 -0.003 0.000 1.283 297 W CB 0.084 29.547 29.460 0.005 0.000 1.131 297 W HN 0.402 nan 8.180 nan 0.000 0.606 298 R N 1.219 121.905 120.500 0.311 0.000 2.094 298 R HA -0.241 4.099 4.340 -0.000 0.000 0.239 298 R C 1.597 178.019 176.300 0.204 0.000 1.137 298 R CA 2.418 58.666 56.100 0.248 0.000 0.943 298 R CB -0.612 29.837 30.300 0.248 0.000 0.850 298 R HN 0.637 nan 8.270 nan 0.000 0.433 299 E N 0.070 120.386 120.200 0.194 0.000 2.097 299 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 299 E C 1.955 178.626 176.600 0.120 0.000 1.000 299 E CA 2.073 58.551 56.400 0.129 0.000 0.804 299 E CB -0.115 29.634 29.700 0.082 0.000 0.740 299 E HN 0.563 nan 8.360 nan 0.000 0.454 300 E N 0.154 120.438 120.200 0.141 0.000 2.077 300 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 300 E C 2.152 178.800 176.600 0.080 0.000 0.989 300 E CA 1.044 57.510 56.400 0.110 0.000 0.800 300 E CB -0.165 29.608 29.700 0.123 0.000 0.746 300 E HN 0.311 nan 8.360 nan 0.000 0.452 301 I N 1.656 122.246 120.570 0.032 0.000 2.252 301 I HA -0.238 3.931 4.170 -0.000 0.000 0.245 301 I C 1.937 178.089 176.117 0.057 0.000 1.102 301 I CA 1.045 62.301 61.300 -0.073 0.000 1.385 301 I CB -0.203 37.614 38.000 -0.306 0.000 1.064 301 I HN -0.030 nan 8.210 nan 0.000 0.414 302 D N 1.102 121.580 120.400 0.130 0.000 2.117 302 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 302 D C 2.303 178.670 176.300 0.111 0.000 0.987 302 D CA 1.659 55.750 54.000 0.151 0.000 0.829 302 D CB -0.178 40.712 40.800 0.149 0.000 0.961 302 D HN 0.356 nan 8.370 nan 0.000 0.460 303 A N 0.233 123.111 122.820 0.097 0.000 1.972 303 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 303 A C 2.064 179.684 177.584 0.060 0.000 1.169 303 A CA 0.827 52.904 52.037 0.066 0.000 0.635 303 A CB -0.891 18.140 19.000 0.052 0.000 0.810 303 A HN 0.256 nan 8.150 nan 0.000 0.446 304 F N 0.363 120.270 119.950 -0.071 0.000 2.146 304 F HA -0.102 4.425 4.527 -0.001 0.000 0.298 304 F C 1.827 177.531 175.800 -0.160 0.000 1.096 304 F CA 1.677 59.595 58.000 -0.137 0.000 1.275 304 F CB -0.191 38.693 39.000 -0.193 0.000 1.008 304 F HN 0.140 nan 8.300 nan 0.000 0.480 305 L N -0.208 121.097 121.223 0.137 0.000 2.093 305 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 305 L C 2.279 179.141 176.870 -0.015 0.000 1.085 305 L CA 1.328 56.212 54.840 0.074 0.000 0.755 305 L CB -0.783 41.382 42.059 0.176 0.000 0.904 305 L HN 0.114 nan 8.230 nan 0.000 0.435 306 D N 0.369 120.765 120.400 -0.006 0.000 2.097 306 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 306 D C 2.122 178.375 176.300 -0.078 0.000 0.989 306 D CA 1.107 55.094 54.000 -0.021 0.000 0.827 306 D CB 0.029 40.828 40.800 -0.003 0.000 0.966 306 D HN 0.277 nan 8.370 nan 0.000 0.456 307 R N 0.108 120.520 120.500 -0.147 0.000 2.397 307 R HA -0.076 4.264 4.340 -0.000 0.000 0.213 307 R C 0.978 177.131 176.300 -0.246 0.000 1.102 307 R CA 0.457 56.434 56.100 -0.206 0.000 1.040 307 R CB 0.037 30.166 30.300 -0.285 0.000 0.844 307 R HN 0.168 nan 8.270 nan 0.000 0.478 308 Q N 0.000 119.667 119.800 -0.222 0.000 2.315 308 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 308 Q CA 0.000 55.708 55.803 -0.159 0.000 1.022 308 Q CB 0.000 28.638 28.738 -0.166 0.000 1.108 308 Q HN 0.000 nan 8.270 nan 0.000 0.481