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 1rk2_1_D 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 0.000 177.567 177.584 -0.028 0.000 1.274 4 A CA 0.000 52.016 52.037 -0.035 0.000 0.836 4 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 5 G N 0.795 109.578 108.800 -0.029 0.000 2.699 5 G HA2 0.521 4.481 3.960 -0.000 0.000 0.246 5 G HA3 0.521 4.481 3.960 -0.000 0.000 0.246 5 G C 0.522 175.410 174.900 -0.020 0.000 1.219 5 G CA 0.518 45.604 45.100 -0.023 0.000 0.866 5 G HN 2.034 nan 8.290 nan 0.000 0.572 6 S N -0.901 114.791 115.700 -0.014 0.000 2.554 6 S HA 0.552 5.022 4.470 -0.000 0.000 0.278 6 S C -0.490 174.105 174.600 -0.009 0.000 1.242 6 S CA -0.764 57.430 58.200 -0.010 0.000 1.051 6 S CB 1.682 64.879 63.200 -0.004 0.000 0.986 6 S HN 0.751 nan 8.310 nan 0.000 0.502 7 L N 3.075 124.293 121.223 -0.008 0.000 2.329 7 L HA 0.771 5.111 4.340 -0.000 0.000 0.279 7 L C -1.236 175.640 176.870 0.010 0.000 1.014 7 L CA -0.604 54.232 54.840 -0.006 0.000 0.814 7 L CB 1.863 43.910 42.059 -0.020 0.000 1.257 7 L HN 0.641 nan 8.230 nan 0.000 0.424 8 V N 5.555 125.482 119.914 0.021 0.000 2.444 8 V HA 0.502 4.622 4.120 -0.000 0.000 0.294 8 V C -0.540 175.594 176.094 0.066 0.000 1.022 8 V CA -0.659 61.670 62.300 0.047 0.000 0.850 8 V CB 1.845 33.692 31.823 0.040 0.000 0.992 8 V HN 0.555 nan 8.190 nan 0.000 0.426 9 V N 6.445 126.431 119.914 0.120 0.000 2.394 9 V HA 0.507 4.627 4.120 -0.000 0.000 0.282 9 V C -0.263 176.025 176.094 0.323 0.000 1.031 9 V CA -0.518 61.877 62.300 0.157 0.000 0.881 9 V CB 1.752 33.597 31.823 0.036 0.000 0.982 9 V HN 0.712 nan 8.190 nan 0.000 0.451 10 L N 5.079 126.431 121.223 0.216 0.000 2.343 10 L HA 0.935 5.275 4.340 -0.000 0.000 0.278 10 L C 0.117 177.093 176.870 0.177 0.000 0.996 10 L CA 0.333 55.264 54.840 0.153 0.000 0.831 10 L CB 1.109 43.201 42.059 0.056 0.000 1.232 10 L HN 0.834 nan 8.230 nan 0.000 0.413 11 G N 1.764 110.696 108.800 0.219 0.000 2.490 11 G HA2 0.329 4.289 3.960 -0.000 0.000 0.308 11 G HA3 0.329 4.289 3.960 -0.000 0.000 0.308 11 G C -1.371 173.617 174.900 0.148 0.000 1.286 11 G CA -0.047 45.170 45.100 0.195 0.000 0.825 11 G HN 0.655 nan 8.290 nan 0.000 0.479 12 S N -1.131 114.659 115.700 0.149 0.000 2.632 12 S HA 0.771 5.241 4.470 -0.000 0.000 0.267 12 S C -0.217 174.493 174.600 0.183 0.000 1.276 12 S CA -0.438 57.823 58.200 0.103 0.000 0.998 12 S CB 1.222 64.456 63.200 0.057 0.000 0.953 12 S HN 0.637 nan 8.310 nan 0.000 0.547 13 I N 1.589 122.220 120.570 0.102 0.000 2.499 13 I HA 0.435 4.605 4.170 -0.000 0.000 0.288 13 I C -0.477 175.685 176.117 0.075 0.000 1.048 13 I CA -0.523 60.845 61.300 0.112 0.000 1.062 13 I CB 1.915 39.961 38.000 0.077 0.000 1.238 13 I HN 0.761 nan 8.210 nan 0.000 0.426 14 N N 3.197 121.954 118.700 0.094 0.000 2.405 14 N HA 0.775 5.514 4.740 -0.000 0.000 0.285 14 N C -1.152 174.444 175.510 0.144 0.000 1.262 14 N CA -0.793 52.318 53.050 0.102 0.000 0.773 14 N CB 2.466 41.004 38.487 0.084 0.000 1.490 14 N HN 0.599 nan 8.380 nan 0.000 0.486 15 A N 1.080 123.985 122.820 0.141 0.000 2.273 15 A HA 0.378 4.698 4.320 -0.000 0.000 0.315 15 A C -1.337 176.252 177.584 0.008 0.000 1.256 15 A CA -0.662 51.436 52.037 0.102 0.000 0.851 15 A CB 0.333 19.405 19.000 0.120 0.000 1.172 15 A HN 0.543 nan 8.150 nan 0.000 0.508 16 D N 2.016 122.370 120.400 -0.077 0.000 2.249 16 D HA 0.270 4.910 4.640 -0.000 0.000 0.246 16 D C -0.351 175.788 176.300 -0.268 0.000 1.114 16 D CA 0.483 54.436 54.000 -0.079 0.000 0.854 16 D CB 0.584 41.358 40.800 -0.043 0.000 1.132 16 D HN 0.513 nan 8.370 nan 0.000 0.461 17 H N 2.686 121.747 119.070 -0.015 0.000 2.623 17 H HA 0.368 4.924 4.556 -0.000 0.000 0.299 17 H C -0.081 175.269 175.328 0.037 0.000 1.052 17 H CA -0.343 55.698 56.048 -0.011 0.000 1.231 17 H CB 0.899 30.745 29.762 0.140 0.000 1.389 17 H HN 0.230 nan 8.280 nan 0.000 0.469 18 I N 4.575 125.147 120.570 0.004 0.000 2.362 18 I HA 0.123 4.293 4.170 -0.000 0.000 0.289 18 I C -0.498 175.796 176.117 0.296 0.000 0.994 18 I CA -0.761 60.617 61.300 0.130 0.000 1.158 18 I CB 1.832 39.864 38.000 0.054 0.000 1.315 18 I HN 0.202 nan 8.210 nan 0.000 0.451 19 L N 6.991 128.472 121.223 0.431 0.000 2.319 19 L HA 0.502 4.842 4.340 -0.000 0.000 0.281 19 L C -0.755 176.327 176.870 0.352 0.000 1.005 19 L CA -0.157 54.963 54.840 0.467 0.000 0.828 19 L CB 1.060 43.441 42.059 0.537 0.000 1.227 19 L HN 0.444 nan 8.230 nan 0.000 0.415 20 N N 4.927 123.789 118.700 0.269 0.000 2.499 20 N HA 0.708 5.448 4.740 -0.000 0.000 0.281 20 N C -1.346 174.229 175.510 0.108 0.000 1.098 20 N CA -0.142 53.014 53.050 0.177 0.000 0.979 20 N CB 1.061 39.636 38.487 0.145 0.000 1.121 20 N HN 0.471 nan 8.380 nan 0.000 0.466 21 L N -0.734 120.516 121.223 0.046 0.000 2.556 21 L HA 0.501 4.841 4.340 -0.000 0.000 0.257 21 L C 0.805 177.627 176.870 -0.081 0.000 0.955 21 L CA -1.017 53.806 54.840 -0.028 0.000 0.850 21 L CB 1.053 43.058 42.059 -0.090 0.000 1.398 21 L HN 0.233 nan 8.230 nan 0.000 0.412 22 Q N 1.943 121.694 119.800 -0.081 0.000 2.028 22 Q HA -0.103 4.237 4.340 -0.000 0.000 0.213 22 Q C 0.428 176.326 176.000 -0.171 0.000 1.017 22 Q CA 2.590 58.333 55.803 -0.100 0.000 0.875 22 Q CB -0.004 28.688 28.738 -0.077 0.000 0.962 22 Q HN 1.027 nan 8.270 nan 0.000 0.413 23 S N -2.034 113.554 115.700 -0.187 0.000 2.541 23 S HA 0.538 5.008 4.470 -0.000 0.000 0.271 23 S C -0.730 173.752 174.600 -0.196 0.000 1.133 23 S CA -1.128 56.902 58.200 -0.283 0.000 0.876 23 S CB 0.586 63.678 63.200 -0.180 0.000 1.105 23 S HN 0.115 nan 8.310 nan 0.000 0.470 24 F N 2.904 122.828 119.950 -0.044 0.000 2.642 24 F HA 0.253 4.780 4.527 -0.000 0.000 0.371 24 F C -1.295 174.459 175.800 -0.076 0.000 1.120 24 F CA -1.327 56.639 58.000 -0.057 0.000 1.331 24 F CB -0.510 38.513 39.000 0.038 0.000 1.044 24 F HN 0.426 nan 8.300 nan 0.000 0.594 25 P HA 0.150 nan 4.420 nan 0.000 0.275 25 P C -0.543 176.804 177.300 0.079 0.000 1.228 25 P CA -0.353 62.760 63.100 0.022 0.000 0.786 25 P CB 1.105 32.775 31.700 -0.050 0.000 0.927 26 T N -0.709 113.876 114.554 0.053 0.000 2.943 26 T HA 0.462 4.812 4.350 -0.000 0.000 0.284 26 T C -2.621 172.104 174.700 0.041 0.000 1.015 26 T CA -2.691 59.442 62.100 0.055 0.000 1.042 26 T CB -0.028 68.866 68.868 0.043 0.000 1.055 26 T HN 0.158 nan 8.240 nan 0.000 0.500 27 P HA 0.166 nan 4.420 nan 0.000 0.259 27 P C 1.176 178.490 177.300 0.023 0.000 1.163 27 P CA 1.709 64.828 63.100 0.031 0.000 0.760 27 P CB -0.243 31.472 31.700 0.026 0.000 0.762 28 G N 2.027 110.840 108.800 0.021 0.000 2.212 28 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.266 28 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.266 28 G C 0.166 175.072 174.900 0.011 0.000 0.978 28 G CA 0.159 45.267 45.100 0.014 0.000 0.632 28 G HN 0.639 nan 8.290 nan 0.000 0.537 29 E N 0.940 121.147 120.200 0.012 0.000 2.175 29 E HA 0.551 4.901 4.350 -0.000 0.000 0.278 29 E C -0.456 176.142 176.600 -0.003 0.000 0.969 29 E CA -0.337 56.065 56.400 0.003 0.000 0.796 29 E CB 0.719 30.420 29.700 0.003 0.000 1.104 29 E HN 0.079 nan 8.360 nan 0.000 0.395 30 T N 3.504 118.051 114.554 -0.011 0.000 2.767 30 T HA 0.339 4.689 4.350 -0.000 0.000 0.288 30 T C -0.538 174.139 174.700 -0.040 0.000 0.963 30 T CA -0.503 61.585 62.100 -0.021 0.000 1.019 30 T CB 1.058 69.917 68.868 -0.016 0.000 0.923 30 T HN 0.227 nan 8.240 nan 0.000 0.468 31 V N 3.379 123.251 119.914 -0.070 0.000 2.715 31 V HA 0.487 4.607 4.120 -0.000 0.000 0.310 31 V C 0.389 176.428 176.094 -0.092 0.000 1.054 31 V CA -0.855 61.393 62.300 -0.088 0.000 0.928 31 V CB 2.237 33.983 31.823 -0.127 0.000 1.007 31 V HN 0.896 nan 8.190 nan 0.000 0.437 32 T N 3.016 117.529 114.554 -0.069 0.000 2.799 32 T HA 0.578 4.928 4.350 -0.000 0.000 0.286 32 T C 0.436 175.107 174.700 -0.049 0.000 0.973 32 T CA -0.092 61.976 62.100 -0.053 0.000 1.035 32 T CB 1.449 70.296 68.868 -0.036 0.000 0.932 32 T HN 0.972 nan 8.240 nan 0.000 0.469 33 G N 1.255 110.037 108.800 -0.030 0.000 2.522 33 G HA2 0.395 4.355 3.960 -0.000 0.000 0.304 33 G HA3 0.395 4.355 3.960 -0.000 0.000 0.304 33 G C 0.485 175.407 174.900 0.036 0.000 1.210 33 G CA -0.934 44.171 45.100 0.009 0.000 0.960 33 G HN 0.769 nan 8.290 nan 0.000 0.497 34 N N -2.058 116.687 118.700 0.074 0.000 2.187 34 N HA 0.116 4.856 4.740 -0.000 0.000 0.212 34 N C 0.024 175.638 175.510 0.172 0.000 1.152 34 N CA -0.257 52.845 53.050 0.088 0.000 0.872 34 N CB 0.414 38.941 38.487 0.068 0.000 1.025 34 N HN 0.512 nan 8.380 nan 0.000 0.514 35 H N -1.062 118.057 119.070 0.083 0.000 3.120 35 H HA 0.154 4.710 4.556 -0.000 0.000 0.314 35 H C -2.223 173.223 175.328 0.195 0.000 1.151 35 H CA -0.673 55.442 56.048 0.111 0.000 1.404 35 H CB 0.742 30.547 29.762 0.071 0.000 2.031 35 H HN 0.056 nan 8.280 nan 0.000 0.513 36 Y N 3.661 123.806 120.300 -0.257 0.000 2.485 36 Y HA 0.492 5.042 4.550 -0.000 0.000 0.345 36 Y C -1.150 174.712 175.900 -0.063 0.000 0.998 36 Y CA -0.452 57.624 58.100 -0.040 0.000 1.059 36 Y CB 1.786 40.220 38.460 -0.043 0.000 1.234 36 Y HN 0.729 nan 8.280 nan 0.000 0.461 37 Q N 4.275 123.756 119.800 -0.531 0.000 2.313 37 Q HA 0.570 4.910 4.340 -0.000 0.000 0.260 37 Q C -2.415 173.221 176.000 -0.605 0.000 0.972 37 Q CA -0.705 54.846 55.803 -0.419 0.000 0.886 37 Q CB 2.046 30.759 28.738 -0.042 0.000 1.373 37 Q HN 0.602 nan 8.270 nan 0.000 0.416 38 V N 2.733 122.322 119.914 -0.542 0.000 2.347 38 V HA 0.892 5.012 4.120 -0.000 0.000 0.280 38 V C -0.364 175.477 176.094 -0.422 0.000 1.021 38 V CA 0.025 62.013 62.300 -0.520 0.000 0.847 38 V CB 0.798 32.357 31.823 -0.439 0.000 0.990 38 V HN 0.815 nan 8.190 nan 0.000 0.444 39 A N 4.512 127.098 122.820 -0.391 0.000 2.569 39 A HA 0.909 5.229 4.320 -0.000 0.000 0.290 39 A C -1.113 176.302 177.584 -0.282 0.000 1.136 39 A CA -0.593 51.205 52.037 -0.399 0.000 0.710 39 A CB 1.159 20.021 19.000 -0.230 0.000 1.303 39 A HN 0.467 nan 8.150 nan 0.000 0.413 40 F N 0.756 120.670 119.950 -0.060 0.000 2.484 40 F HA 0.535 5.062 4.527 -0.000 0.000 0.360 40 F C 1.177 176.956 175.800 -0.035 0.000 1.101 40 F CA 0.672 58.649 58.000 -0.039 0.000 1.251 40 F CB 0.960 39.948 39.000 -0.020 0.000 1.132 40 F HN 0.813 nan 8.300 nan 0.000 0.570 41 G N -0.103 108.811 108.800 0.190 0.000 3.085 41 G HA2 0.626 4.586 3.960 -0.000 0.000 0.264 41 G HA3 0.626 4.586 3.960 -0.000 0.000 0.264 41 G C -0.459 174.490 174.900 0.082 0.000 1.206 41 G CA -0.409 44.748 45.100 0.095 0.000 0.809 41 G HN 1.135 nan 8.290 nan 0.000 0.592 42 G N -0.733 108.103 108.800 0.059 0.000 3.190 42 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.686 42 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.686 42 G C 0.485 175.411 174.900 0.044 0.000 1.033 42 G CA 0.406 45.542 45.100 0.061 0.000 0.797 42 G HN 0.720 nan 8.290 nan 0.000 0.567 43 K N 1.293 121.715 120.400 0.038 0.000 2.074 43 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 43 K C 2.843 179.451 176.600 0.012 0.000 1.048 43 K CA 1.908 58.208 56.287 0.022 0.000 0.926 43 K CB -0.167 32.349 32.500 0.027 0.000 0.713 43 K HN 0.760 nan 8.250 nan 0.000 0.444 44 G N 1.314 110.158 108.800 0.074 0.000 2.459 44 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 44 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 44 G C 1.665 176.466 174.900 -0.164 0.000 1.183 44 G CA 1.104 46.278 45.100 0.124 0.000 0.776 44 G HN 0.381 nan 8.290 nan 0.000 0.552 45 A N 1.115 123.898 122.820 -0.061 0.000 1.898 45 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 45 A C 2.302 179.725 177.584 -0.268 0.000 1.181 45 A CA 1.905 53.763 52.037 -0.297 0.000 0.620 45 A CB -0.456 18.549 19.000 0.008 0.000 0.819 45 A HN 0.356 nan 8.150 nan 0.000 0.442 46 N N 0.063 118.684 118.700 -0.132 0.000 2.069 46 N HA -0.188 4.552 4.740 -0.000 0.000 0.191 46 N C 1.876 177.291 175.510 -0.159 0.000 1.031 46 N CA 1.752 54.735 53.050 -0.112 0.000 0.852 46 N CB -0.538 37.918 38.487 -0.052 0.000 1.018 46 N HN 0.676 nan 8.380 nan 0.000 0.423 47 Q N 0.243 119.947 119.800 -0.161 0.000 2.119 47 Q HA 0.061 4.400 4.340 -0.000 0.000 0.201 47 Q C 2.075 177.931 176.000 -0.238 0.000 0.972 47 Q CA 1.305 57.013 55.803 -0.158 0.000 0.847 47 Q CB -0.099 28.577 28.738 -0.104 0.000 0.903 47 Q HN 0.404 nan 8.270 nan 0.000 0.433 48 A N 0.196 122.775 122.820 -0.400 0.000 1.902 48 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 48 A C 2.281 179.661 177.584 -0.339 0.000 1.181 48 A CA 1.281 53.028 52.037 -0.482 0.000 0.623 48 A CB -0.588 17.800 19.000 -1.020 0.000 0.818 48 A HN 0.213 nan 8.150 nan 0.000 0.443 49 V N -0.175 119.548 119.914 -0.318 0.000 2.358 49 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 49 V C 3.038 178.956 176.094 -0.293 0.000 1.047 49 V CA 1.817 63.949 62.300 -0.280 0.000 1.035 49 V CB -1.227 30.456 31.823 -0.233 0.000 0.658 49 V HN 0.604 nan 8.190 nan 0.000 0.452 50 A N 0.046 122.723 122.820 -0.238 0.000 1.902 50 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 50 A C 2.417 179.896 177.584 -0.176 0.000 1.181 50 A CA 2.126 54.037 52.037 -0.210 0.000 0.623 50 A CB -0.727 18.184 19.000 -0.150 0.000 0.818 50 A HN 0.556 nan 8.150 nan 0.000 0.443 51 A N -0.428 122.297 122.820 -0.159 0.000 1.855 51 A HA 0.161 4.481 4.320 -0.000 0.000 0.215 51 A C 2.468 179.984 177.584 -0.114 0.000 1.191 51 A CA 1.944 53.914 52.037 -0.112 0.000 0.613 51 A CB -1.530 17.403 19.000 -0.112 0.000 0.829 51 A HN 0.730 nan 8.150 nan 0.000 0.442 52 G N -0.432 108.274 108.800 -0.156 0.000 2.514 52 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 52 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 52 G C 1.746 176.540 174.900 -0.175 0.000 1.198 52 G CA 1.016 46.032 45.100 -0.140 0.000 0.780 52 G HN 0.562 nan 8.290 nan 0.000 0.565 53 R N 0.659 120.931 120.500 -0.381 0.000 2.120 53 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 53 R C 2.875 179.069 176.300 -0.176 0.000 1.123 53 R CA 1.471 57.213 56.100 -0.596 0.000 0.975 53 R CB -0.275 29.328 30.300 -1.161 0.000 0.866 53 R HN 0.537 nan 8.270 nan 0.000 0.446 54 S N -1.095 114.549 115.700 -0.094 0.000 2.603 54 S HA 0.118 4.588 4.470 -0.000 0.000 0.220 54 S C 1.277 175.959 174.600 0.137 0.000 0.967 54 S CA 0.430 58.684 58.200 0.089 0.000 0.920 54 S CB 0.795 64.099 63.200 0.173 0.000 0.773 54 S HN 0.506 nan 8.310 nan 0.000 0.529 55 G N 0.129 108.967 108.800 0.063 0.000 2.159 55 G HA2 0.074 4.034 3.960 -0.000 0.000 0.170 55 G HA3 0.074 4.034 3.960 -0.000 0.000 0.170 55 G C 0.142 175.048 174.900 0.011 0.000 1.007 55 G CA -0.263 44.870 45.100 0.056 0.000 0.672 55 G HN 1.051 nan 8.290 nan 0.000 0.507 56 A N -0.027 122.787 122.820 -0.010 0.000 2.287 56 A HA 0.668 4.988 4.320 -0.000 0.000 0.273 56 A C 0.353 177.926 177.584 -0.017 0.000 1.091 56 A CA -0.370 51.651 52.037 -0.026 0.000 0.817 56 A CB 0.354 19.330 19.000 -0.040 0.000 1.069 56 A HN 0.283 nan 8.150 nan 0.000 0.492 57 N N 1.673 120.363 118.700 -0.017 0.000 2.645 57 N HA 0.259 4.999 4.740 -0.000 0.000 0.233 57 N C -1.059 174.445 175.510 -0.009 0.000 1.058 57 N CA 0.034 53.079 53.050 -0.008 0.000 0.942 57 N CB 1.131 39.614 38.487 -0.007 0.000 1.210 57 N HN 0.597 nan 8.380 nan 0.000 0.512 58 I N 0.924 121.489 120.570 -0.008 0.000 2.569 58 I HA 0.643 4.813 4.170 -0.000 0.000 0.296 58 I C -1.100 175.029 176.117 0.020 0.000 1.028 58 I CA -0.842 60.455 61.300 -0.005 0.000 1.082 58 I CB 1.938 39.917 38.000 -0.036 0.000 1.264 58 I HN 0.257 nan 8.210 nan 0.000 0.429 59 A N 6.613 129.460 122.820 0.046 0.000 2.365 59 A HA 0.726 5.046 4.320 -0.000 0.000 0.318 59 A C -1.734 175.951 177.584 0.168 0.000 1.091 59 A CA -0.468 51.618 52.037 0.081 0.000 0.763 59 A CB 1.220 20.252 19.000 0.053 0.000 1.248 59 A HN 0.561 nan 8.150 nan 0.000 0.442 60 F N 2.884 122.817 119.950 -0.027 0.000 2.427 60 F HA 0.609 5.136 4.527 -0.000 0.000 0.348 60 F C -0.727 175.056 175.800 -0.028 0.000 1.125 60 F CA -1.652 56.330 58.000 -0.030 0.000 0.989 60 F CB 0.999 39.975 39.000 -0.039 0.000 1.165 60 F HN 0.423 nan 8.300 nan 0.000 0.442 61 I N 6.559 127.056 120.570 -0.123 0.000 2.312 61 I HA 0.641 4.811 4.170 -0.000 0.000 0.291 61 I C -0.026 175.732 176.117 -0.598 0.000 1.031 61 I CA -0.156 60.980 61.300 -0.273 0.000 1.293 61 I CB 0.457 38.394 38.000 -0.106 0.000 1.403 61 I HN 0.759 nan 8.210 nan 0.000 0.484 62 A N 5.423 127.859 122.820 -0.641 0.000 2.536 62 A HA 0.807 5.127 4.320 -0.000 0.000 0.293 62 A C -1.701 175.675 177.584 -0.346 0.000 1.119 62 A CA -0.499 51.163 52.037 -0.625 0.000 0.654 62 A CB 1.559 19.845 19.000 -1.190 0.000 1.291 62 A HN 0.624 nan 8.150 nan 0.000 0.439 63 C N 0.732 119.888 119.300 -0.240 0.000 2.609 63 C HA 0.885 5.345 4.460 -0.000 0.000 0.313 63 C C 0.474 175.400 174.990 -0.106 0.000 1.175 63 C CA 0.026 58.956 59.018 -0.147 0.000 1.434 63 C CB 1.088 28.764 27.740 -0.107 0.000 2.005 63 C HN 1.179 nan 8.230 nan 0.000 0.471 64 T N -0.018 114.489 114.554 -0.079 0.000 2.927 64 T HA 0.845 5.195 4.350 -0.000 0.000 0.286 64 T C 0.234 174.917 174.700 -0.028 0.000 1.040 64 T CA -0.272 61.801 62.100 -0.045 0.000 1.010 64 T CB 1.643 70.487 68.868 -0.040 0.000 1.177 64 T HN 0.960 nan 8.240 nan 0.000 0.546 65 G N -0.194 108.603 108.800 -0.004 0.000 2.547 65 G HA2 0.445 4.405 3.960 -0.000 0.000 0.291 65 G HA3 0.445 4.405 3.960 -0.000 0.000 0.291 65 G C -0.168 174.737 174.900 0.008 0.000 1.211 65 G CA -0.603 44.500 45.100 0.006 0.000 0.950 65 G HN 0.873 nan 8.290 nan 0.000 0.504 66 D N -0.928 119.479 120.400 0.011 0.000 2.676 66 D HA 0.130 4.770 4.640 -0.000 0.000 0.239 66 D C -0.104 176.208 176.300 0.021 0.000 1.213 66 D CA -0.515 53.491 54.000 0.011 0.000 0.835 66 D CB -0.034 40.771 40.800 0.008 0.000 1.009 66 D HN 0.312 nan 8.370 nan 0.000 0.479 67 D N -1.468 118.950 120.400 0.030 0.000 2.487 67 D HA 0.198 4.838 4.640 -0.000 0.000 0.262 67 D C 1.358 177.685 176.300 0.045 0.000 1.130 67 D CA -0.686 53.338 54.000 0.041 0.000 1.038 67 D CB 0.701 41.534 40.800 0.056 0.000 1.142 67 D HN -0.065 nan 8.370 nan 0.000 0.575 68 S N -0.270 115.462 115.700 0.054 0.000 2.383 68 S HA -0.193 4.277 4.470 -0.000 0.000 0.227 68 S C 1.896 176.544 174.600 0.080 0.000 1.026 68 S CA 0.493 58.728 58.200 0.059 0.000 0.981 68 S CB -0.612 62.623 63.200 0.059 0.000 0.818 68 S HN 0.482 nan 8.310 nan 0.000 0.472 69 I N 3.406 124.037 120.570 0.100 0.000 2.264 69 I HA 0.011 4.181 4.170 -0.000 0.000 0.248 69 I C 2.357 178.543 176.117 0.115 0.000 1.111 69 I CA 1.137 62.526 61.300 0.148 0.000 1.382 69 I CB -1.126 36.972 38.000 0.162 0.000 1.060 69 I HN 0.365 nan 8.210 nan 0.000 0.418 70 G N -0.385 108.454 108.800 0.065 0.000 2.421 70 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 70 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 70 G C 1.539 176.433 174.900 -0.010 0.000 1.171 70 G CA 0.836 45.946 45.100 0.017 0.000 0.775 70 G HN 0.517 nan 8.290 nan 0.000 0.543 71 E N 0.278 120.485 120.200 0.012 0.000 2.106 71 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 71 E C 2.678 179.279 176.600 0.002 0.000 0.984 71 E CA 1.021 57.424 56.400 0.005 0.000 0.806 71 E CB -0.159 29.553 29.700 0.020 0.000 0.750 71 E HN 0.418 nan 8.360 nan 0.000 0.458 72 S N 0.529 116.254 115.700 0.041 0.000 2.368 72 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 72 S C 2.133 176.687 174.600 -0.078 0.000 1.030 72 S CA 1.068 59.322 58.200 0.091 0.000 0.999 72 S CB -0.119 63.225 63.200 0.240 0.000 0.844 72 S HN 0.206 nan 8.310 nan 0.000 0.459 73 V N 1.653 121.379 119.914 -0.312 0.000 2.453 73 V HA -0.022 4.098 4.120 -0.000 0.000 0.247 73 V C 2.490 178.323 176.094 -0.435 0.000 1.048 73 V CA 1.812 63.583 62.300 -0.882 0.000 1.049 73 V CB -0.567 30.819 31.823 -0.727 0.000 0.672 73 V HN 0.470 nan 8.190 nan 0.000 0.457 74 R N -0.620 119.759 120.500 -0.202 0.000 2.096 74 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 74 R C 2.370 178.626 176.300 -0.072 0.000 1.127 74 R CA 1.923 57.962 56.100 -0.103 0.000 0.968 74 R CB -0.296 29.969 30.300 -0.058 0.000 0.861 74 R HN 0.643 nan 8.270 nan 0.000 0.440 75 Q N 0.084 119.848 119.800 -0.059 0.000 2.079 75 Q HA -0.228 4.112 4.340 -0.000 0.000 0.200 75 Q C 2.141 178.136 176.000 -0.008 0.000 0.974 75 Q CA 1.347 57.142 55.803 -0.013 0.000 0.840 75 Q CB -0.081 28.667 28.738 0.016 0.000 0.898 75 Q HN 0.177 nan 8.270 nan 0.000 0.430 76 Q N 1.377 121.151 119.800 -0.043 0.000 2.030 76 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 76 Q C 1.947 177.937 176.000 -0.015 0.000 0.986 76 Q CA 1.532 57.335 55.803 0.001 0.000 0.843 76 Q CB -0.423 28.303 28.738 -0.020 0.000 0.904 76 Q HN 0.387 nan 8.270 nan 0.000 0.420 77 L N 0.015 121.185 121.223 -0.089 0.000 2.081 77 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 77 L C 2.405 179.275 176.870 0.000 0.000 1.080 77 L CA 1.198 56.008 54.840 -0.049 0.000 0.754 77 L CB -0.878 41.163 42.059 -0.030 0.000 0.893 77 L HN 0.358 nan 8.230 nan 0.000 0.433 78 A N -0.076 122.751 122.820 0.012 0.000 2.019 78 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 78 A C 2.290 179.908 177.584 0.056 0.000 1.164 78 A CA 2.007 54.063 52.037 0.031 0.000 0.644 78 A CB -0.785 18.230 19.000 0.025 0.000 0.805 78 A HN 0.549 nan 8.150 nan 0.000 0.449 79 T N -3.660 110.939 114.554 0.075 0.000 3.129 79 T HA 0.054 4.404 4.350 -0.000 0.000 0.251 79 T C 0.367 175.193 174.700 0.212 0.000 1.117 79 T CA 0.730 62.906 62.100 0.127 0.000 1.034 79 T CB -0.058 68.889 68.868 0.131 0.000 0.968 79 T HN 0.304 nan 8.240 nan 0.000 0.526 80 D N 2.121 122.596 120.400 0.125 0.000 2.460 80 D HA 0.147 4.787 4.640 -0.000 0.000 0.229 80 D C 0.516 176.818 176.300 0.004 0.000 1.170 80 D CA -0.134 53.898 54.000 0.053 0.000 0.827 80 D CB -0.349 40.396 40.800 -0.092 0.000 0.973 80 D HN 0.407 nan 8.370 nan 0.000 0.496 81 N N 0.827 119.582 118.700 0.092 0.000 2.758 81 N HA -0.200 4.540 4.740 -0.000 0.000 0.248 81 N C -1.234 174.284 175.510 0.013 0.000 1.076 81 N CA 0.448 53.538 53.050 0.067 0.000 0.696 81 N CB -1.486 37.057 38.487 0.093 0.000 0.979 81 N HN 0.303 nan 8.380 nan 0.000 0.550 82 I N -0.110 120.467 120.570 0.011 0.000 2.436 82 I HA 0.197 4.367 4.170 -0.000 0.000 0.289 82 I C -0.075 176.063 176.117 0.035 0.000 1.010 82 I CA -1.010 60.294 61.300 0.006 0.000 1.098 82 I CB 1.512 39.502 38.000 -0.016 0.000 1.266 82 I HN 0.093 nan 8.210 nan 0.000 0.434 83 D N 7.346 127.771 120.400 0.042 0.000 2.338 83 D HA 0.129 4.769 4.640 -0.000 0.000 0.255 83 D C 0.735 177.074 176.300 0.065 0.000 1.237 83 D CA -0.128 53.898 54.000 0.043 0.000 0.883 83 D CB 0.878 41.699 40.800 0.034 0.000 1.087 83 D HN 0.551 nan 8.370 nan 0.000 0.485 84 I N 0.753 121.355 120.570 0.053 0.000 3.861 84 I HA 0.074 4.244 4.170 -0.000 0.000 0.329 84 I C 1.076 177.200 176.117 0.013 0.000 1.321 84 I CA -0.445 60.888 61.300 0.054 0.000 1.126 84 I CB -0.085 37.943 38.000 0.046 0.000 1.018 84 I HN 0.055 nan 8.210 nan 0.000 0.407 85 T N 2.644 117.205 114.554 0.011 0.000 2.699 85 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 85 T C -0.458 174.229 174.700 -0.022 0.000 1.036 85 T CA 1.907 64.005 62.100 -0.004 0.000 1.147 85 T CB -1.265 67.603 68.868 0.000 0.000 0.862 85 T HN 0.427 nan 8.240 nan 0.000 0.446 86 P HA 0.158 nan 4.420 nan 0.000 0.242 86 P C -0.357 176.872 177.300 -0.120 0.000 1.197 86 P CA 0.224 63.288 63.100 -0.059 0.000 0.765 86 P CB -0.066 31.608 31.700 -0.043 0.000 0.936 87 V N 0.530 120.372 119.914 -0.120 0.000 2.389 87 V HA 0.115 4.235 4.120 -0.000 0.000 0.264 87 V C 0.663 176.686 176.094 -0.119 0.000 1.049 87 V CA 0.112 62.306 62.300 -0.176 0.000 0.932 87 V CB 0.481 32.220 31.823 -0.141 0.000 1.011 87 V HN 0.022 nan 8.190 nan 0.000 0.475 88 S N 3.941 119.565 115.700 -0.126 0.000 2.616 88 S HA 0.566 5.036 4.470 -0.000 0.000 0.277 88 S C -0.159 174.396 174.600 -0.074 0.000 1.234 88 S CA -0.552 57.597 58.200 -0.086 0.000 1.028 88 S CB 1.824 64.976 63.200 -0.080 0.000 0.988 88 S HN 0.456 nan 8.310 nan 0.000 0.522 89 V N 3.921 123.805 119.914 -0.051 0.000 2.347 89 V HA 0.317 4.437 4.120 -0.000 0.000 0.280 89 V C -0.446 175.629 176.094 -0.031 0.000 1.021 89 V CA -0.657 61.621 62.300 -0.038 0.000 0.847 89 V CB 0.957 32.764 31.823 -0.026 0.000 0.990 89 V HN 0.677 nan 8.190 nan 0.000 0.444 90 I N 5.132 125.684 120.570 -0.029 0.000 2.301 90 I HA 0.292 4.462 4.170 -0.000 0.000 0.292 90 I C 0.696 176.806 176.117 -0.011 0.000 1.046 90 I CA -0.434 60.852 61.300 -0.023 0.000 1.282 90 I CB 0.667 38.650 38.000 -0.027 0.000 1.409 90 I HN 0.577 nan 8.210 nan 0.000 0.484 91 K N 4.224 124.619 120.400 -0.009 0.000 2.448 91 K HA 0.282 4.602 4.320 -0.000 0.000 0.278 91 K C 1.126 177.726 176.600 0.001 0.000 1.009 91 K CA 0.520 56.806 56.287 -0.003 0.000 0.995 91 K CB 0.363 32.861 32.500 -0.003 0.000 0.917 91 K HN 0.907 nan 8.250 nan 0.000 0.481 92 G N 1.558 110.362 108.800 0.007 0.000 2.148 92 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.254 92 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.254 92 G C -0.250 174.660 174.900 0.017 0.000 0.981 92 G CA 0.140 45.246 45.100 0.011 0.000 0.670 92 G HN 0.548 nan 8.290 nan 0.000 0.528 93 E N -0.118 120.092 120.200 0.017 0.000 2.336 93 E HA 0.660 5.010 4.350 -0.000 0.000 0.267 93 E C 0.117 176.738 176.600 0.036 0.000 0.906 93 E CA 0.001 56.416 56.400 0.025 0.000 0.781 93 E CB 1.835 31.539 29.700 0.007 0.000 1.261 93 E HN 0.523 nan 8.360 nan 0.000 0.436 94 S N -0.277 115.460 115.700 0.062 0.000 2.651 94 S HA 0.543 5.013 4.470 -0.000 0.000 0.291 94 S C 0.243 174.881 174.600 0.064 0.000 1.141 94 S CA -0.665 57.583 58.200 0.079 0.000 1.027 94 S CB 1.144 64.417 63.200 0.121 0.000 1.043 94 S HN 0.294 nan 8.310 nan 0.000 0.530 95 T N 1.756 116.352 114.554 0.070 0.000 2.856 95 T HA 0.440 4.790 4.350 -0.000 0.000 0.306 95 T C 1.018 175.760 174.700 0.070 0.000 1.062 95 T CA 0.244 62.377 62.100 0.055 0.000 1.083 95 T CB 0.038 68.950 68.868 0.072 0.000 0.984 95 T HN 0.924 nan 8.240 nan 0.000 0.542 96 G N 0.434 109.250 108.800 0.027 0.000 2.554 96 G HA2 0.432 4.392 3.960 -0.000 0.000 0.238 96 G HA3 0.432 4.392 3.960 -0.000 0.000 0.238 96 G C -0.824 174.145 174.900 0.115 0.000 1.259 96 G CA -0.389 44.719 45.100 0.013 0.000 0.843 96 G HN 0.626 nan 8.290 nan 0.000 0.582 97 V N 0.656 120.666 119.914 0.159 0.000 2.709 97 V HA 0.722 4.842 4.120 -0.000 0.000 0.308 97 V C 0.160 176.353 176.094 0.165 0.000 1.062 97 V CA -0.667 61.760 62.300 0.211 0.000 0.901 97 V CB 1.687 33.660 31.823 0.249 0.000 1.003 97 V HN 1.195 nan 8.190 nan 0.000 0.425 98 A N 5.281 128.200 122.820 0.165 0.000 2.331 98 A HA 0.907 5.227 4.320 -0.000 0.000 0.320 98 A C -1.026 176.622 177.584 0.106 0.000 1.138 98 A CA -0.539 51.556 52.037 0.097 0.000 0.790 98 A CB 0.988 20.025 19.000 0.061 0.000 1.206 98 A HN 0.792 nan 8.150 nan 0.000 0.470 99 L N 3.524 124.749 121.223 0.003 0.000 2.287 99 L HA 0.553 4.893 4.340 -0.000 0.000 0.287 99 L C -0.799 175.961 176.870 -0.184 0.000 1.022 99 L CA -0.159 54.636 54.840 -0.075 0.000 0.814 99 L CB 1.073 43.022 42.059 -0.185 0.000 1.217 99 L HN 0.576 nan 8.230 nan 0.000 0.420 100 I N 2.675 123.174 120.570 -0.117 0.000 2.545 100 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 100 I C -0.963 175.193 176.117 0.066 0.000 1.040 100 I CA -0.516 60.735 61.300 -0.082 0.000 1.068 100 I CB 2.250 40.270 38.000 0.034 0.000 1.251 100 I HN 0.278 nan 8.210 nan 0.000 0.424 101 F N 4.607 124.625 119.950 0.113 0.000 2.508 101 F HA 0.666 5.193 4.527 -0.000 0.000 0.325 101 F C -0.120 175.874 175.800 0.323 0.000 1.090 101 F CA -1.304 56.821 58.000 0.209 0.000 0.945 101 F CB 2.142 41.269 39.000 0.212 0.000 1.156 101 F HN -0.058 nan 8.300 nan 0.000 0.463 102 V N 3.195 123.421 119.914 0.520 0.000 2.569 102 V HA 0.288 4.408 4.120 -0.000 0.000 0.301 102 V C -0.539 175.654 176.094 0.165 0.000 1.044 102 V CA -1.231 61.287 62.300 0.364 0.000 0.874 102 V CB 1.631 33.579 31.823 0.207 0.000 1.002 102 V HN 0.779 nan 8.190 nan 0.000 0.424 103 N N 3.277 121.935 118.700 -0.071 0.000 2.354 103 N HA 0.248 4.988 4.740 -0.000 0.000 0.246 103 N C 1.419 176.836 175.510 -0.154 0.000 1.285 103 N CA 0.173 53.016 53.050 -0.346 0.000 0.925 103 N CB 0.694 38.729 38.487 -0.753 0.000 1.174 103 N HN 0.592 nan 8.380 nan 0.000 0.478 104 G N -0.997 107.713 108.800 -0.151 0.000 2.498 104 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 104 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 104 G C 0.572 175.429 174.900 -0.071 0.000 1.119 104 G CA 0.355 45.404 45.100 -0.085 0.000 0.766 104 G HN 0.760 nan 8.290 nan 0.000 0.552 105 E N -0.313 119.830 120.200 -0.095 0.000 2.419 105 E HA 0.311 4.661 4.350 -0.000 0.000 0.190 105 E C 1.790 178.373 176.600 -0.029 0.000 1.040 105 E CA 0.138 56.502 56.400 -0.061 0.000 0.900 105 E CB 0.153 29.811 29.700 -0.070 0.000 1.054 105 E HN 0.357 nan 8.360 nan 0.000 0.462 106 G N 1.671 110.462 108.800 -0.016 0.000 2.363 106 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.238 106 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.238 106 G C 0.337 175.277 174.900 0.067 0.000 1.062 106 G CA 0.219 45.331 45.100 0.021 0.000 0.629 106 G HN 0.375 nan 8.290 nan 0.000 0.514 107 E N 1.521 121.770 120.200 0.083 0.000 2.455 107 E HA 0.387 4.737 4.350 -0.000 0.000 0.259 107 E C 0.515 177.316 176.600 0.334 0.000 1.245 107 E CA 0.698 57.211 56.400 0.188 0.000 1.013 107 E CB 0.190 30.027 29.700 0.230 0.000 0.978 107 E HN 0.780 nan 8.360 nan 0.000 0.479 108 N N -1.792 117.123 118.700 0.360 0.000 2.555 108 N HA 0.263 5.003 4.740 -0.000 0.000 0.265 108 N C -1.323 174.224 175.510 0.061 0.000 1.135 108 N CA -0.614 52.623 53.050 0.312 0.000 0.925 108 N CB 1.300 39.905 38.487 0.197 0.000 1.662 108 N HN 0.244 nan 8.380 nan 0.000 0.489 109 V N -0.989 118.838 119.914 -0.145 0.000 2.667 109 V HA 0.784 4.904 4.120 -0.000 0.000 0.308 109 V C -0.180 175.825 176.094 -0.149 0.000 1.048 109 V CA -0.671 61.492 62.300 -0.228 0.000 0.928 109 V CB 1.400 32.959 31.823 -0.439 0.000 1.004 109 V HN 0.697 nan 8.190 nan 0.000 0.444 110 I N 2.863 123.362 120.570 -0.119 0.000 2.534 110 I HA 0.683 4.853 4.170 -0.000 0.000 0.288 110 I C 0.337 176.398 176.117 -0.092 0.000 1.077 110 I CA -0.504 60.736 61.300 -0.100 0.000 1.051 110 I CB 2.155 40.128 38.000 -0.046 0.000 1.234 110 I HN 0.923 nan 8.210 nan 0.000 0.425 111 G N 7.231 115.965 108.800 -0.109 0.000 2.417 111 G HA2 0.749 4.709 3.960 -0.000 0.000 0.320 111 G HA3 0.749 4.709 3.960 -0.000 0.000 0.320 111 G C -0.698 174.183 174.900 -0.031 0.000 1.204 111 G CA -0.476 44.579 45.100 -0.074 0.000 0.923 111 G HN 0.641 nan 8.290 nan 0.000 0.466 112 I N -0.265 120.305 120.570 0.000 0.000 2.648 112 I HA 0.707 4.877 4.170 -0.000 0.000 0.304 112 I C -0.863 175.303 176.117 0.081 0.000 1.009 112 I CA -1.417 59.905 61.300 0.037 0.000 1.114 112 I CB 2.548 40.561 38.000 0.022 0.000 1.293 112 I HN 0.482 nan 8.210 nan 0.000 0.449 113 H N 4.076 123.145 119.070 -0.001 0.000 2.718 113 H HA 0.648 5.204 4.556 -0.000 0.000 0.295 113 H C 0.492 175.825 175.328 0.009 0.000 1.051 113 H CA -0.181 55.866 56.048 -0.000 0.000 1.260 113 H CB 1.690 31.452 29.762 -0.000 0.000 1.403 113 H HN 0.846 nan 8.280 nan 0.000 0.488 114 A N 4.434 127.091 122.820 -0.273 0.000 1.896 114 A HA 0.012 4.332 4.320 -0.000 0.000 0.220 114 A C 1.970 179.323 177.584 -0.385 0.000 1.206 114 A CA 1.841 53.725 52.037 -0.255 0.000 0.647 114 A CB -1.397 17.506 19.000 -0.161 0.000 0.828 114 A HN 1.446 nan 8.150 nan 0.000 0.455 115 G N -2.127 106.247 108.800 -0.710 0.000 2.566 115 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.280 115 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.280 115 G C 1.318 176.109 174.900 -0.182 0.000 1.225 115 G CA 1.861 46.683 45.100 -0.464 0.000 0.966 115 G HN 1.706 nan 8.290 nan 0.000 0.560 116 A N -0.378 122.385 122.820 -0.096 0.000 2.084 116 A HA -0.148 4.172 4.320 -0.000 0.000 0.221 116 A C 2.199 179.737 177.584 -0.075 0.000 1.161 116 A CA 2.412 54.411 52.037 -0.064 0.000 0.653 116 A CB -0.569 18.406 19.000 -0.042 0.000 0.802 116 A HN 0.717 nan 8.150 nan 0.000 0.457 117 N N 0.487 119.135 118.700 -0.087 0.000 2.205 117 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 117 N C 1.730 177.198 175.510 -0.070 0.000 1.015 117 N CA 1.415 54.420 53.050 -0.075 0.000 0.862 117 N CB -0.438 38.010 38.487 -0.065 0.000 0.986 117 N HN 0.530 nan 8.380 nan 0.000 0.429 118 A N 0.544 123.317 122.820 -0.078 0.000 2.172 118 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 118 A C 2.097 179.652 177.584 -0.048 0.000 1.154 118 A CA 1.221 53.222 52.037 -0.060 0.000 0.701 118 A CB -0.237 18.725 19.000 -0.063 0.000 0.789 118 A HN 0.295 nan 8.150 nan 0.000 0.465 119 A N -0.918 121.871 122.820 -0.052 0.000 2.218 119 A HA 0.346 4.666 4.320 -0.000 0.000 0.209 119 A C 0.994 178.549 177.584 -0.049 0.000 1.168 119 A CA -0.137 51.873 52.037 -0.045 0.000 0.804 119 A CB -0.325 18.649 19.000 -0.043 0.000 0.834 119 A HN 0.479 nan 8.150 nan 0.000 0.482 120 L N 2.681 123.870 121.223 -0.057 0.000 2.448 120 L HA 0.150 4.490 4.340 -0.000 0.000 0.278 120 L C 0.570 177.413 176.870 -0.045 0.000 1.201 120 L CA -0.445 54.358 54.840 -0.061 0.000 1.036 120 L CB -0.051 41.964 42.059 -0.074 0.000 1.325 120 L HN 0.475 nan 8.230 nan 0.000 0.441 121 S N 3.102 118.778 115.700 -0.039 0.000 2.707 121 S HA 0.483 4.953 4.470 -0.000 0.000 0.276 121 S C -1.871 172.714 174.600 -0.025 0.000 1.179 121 S CA -1.273 56.910 58.200 -0.029 0.000 0.992 121 S CB 1.225 64.410 63.200 -0.025 0.000 1.030 121 S HN 0.338 nan 8.310 nan 0.000 0.554 122 P HA 0.015 nan 4.420 nan 0.000 0.218 122 P C 1.447 178.738 177.300 -0.015 0.000 1.149 122 P CA 1.658 64.749 63.100 -0.014 0.000 0.817 122 P CB -0.193 31.501 31.700 -0.011 0.000 0.785 123 A N -0.416 122.394 122.820 -0.017 0.000 1.877 123 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 123 A C 2.145 179.716 177.584 -0.021 0.000 1.186 123 A CA 1.371 53.398 52.037 -0.016 0.000 0.620 123 A CB -1.624 17.366 19.000 -0.016 0.000 0.822 123 A HN 0.110 nan 8.150 nan 0.000 0.443 124 L N -0.427 120.779 121.223 -0.027 0.000 2.131 124 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 124 L C 2.464 179.315 176.870 -0.032 0.000 1.092 124 L CA 0.802 55.621 54.840 -0.034 0.000 0.759 124 L CB -0.524 41.507 42.059 -0.047 0.000 0.903 124 L HN 0.252 nan 8.230 nan 0.000 0.435 125 V N -0.114 119.784 119.914 -0.027 0.000 2.307 125 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 125 V C 2.489 178.575 176.094 -0.014 0.000 1.045 125 V CA 1.871 64.158 62.300 -0.021 0.000 1.024 125 V CB -0.363 31.452 31.823 -0.015 0.000 0.651 125 V HN 0.414 nan 8.190 nan 0.000 0.449 126 E N 1.092 121.284 120.200 -0.012 0.000 2.160 126 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 126 E C 1.994 178.588 176.600 -0.010 0.000 0.991 126 E CA 1.563 57.957 56.400 -0.009 0.000 0.810 126 E CB -0.439 29.257 29.700 -0.008 0.000 0.742 126 E HN 0.535 nan 8.360 nan 0.000 0.466 127 A N -0.050 122.761 122.820 -0.015 0.000 2.121 127 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 127 A C 1.584 179.159 177.584 -0.015 0.000 1.154 127 A CA 1.084 53.111 52.037 -0.015 0.000 0.679 127 A CB -0.124 18.864 19.000 -0.020 0.000 0.795 127 A HN 0.182 nan 8.150 nan 0.000 0.458 128 Q N -0.947 118.844 119.800 -0.015 0.000 2.188 128 Q HA 0.133 4.473 4.340 -0.000 0.000 0.212 128 Q C 1.485 177.481 176.000 -0.006 0.000 0.846 128 Q CA -0.016 55.780 55.803 -0.012 0.000 0.989 128 Q CB 0.093 28.822 28.738 -0.016 0.000 1.114 128 Q HN 0.808 nan 8.270 nan 0.000 0.488 129 R N 1.328 121.825 120.500 -0.005 0.000 2.112 129 R HA -0.198 4.142 4.340 -0.000 0.000 0.242 129 R C 1.307 177.607 176.300 -0.001 0.000 1.137 129 R CA 1.704 57.803 56.100 -0.002 0.000 0.944 129 R CB 0.301 30.600 30.300 -0.002 0.000 0.857 129 R HN 0.067 nan 8.270 nan 0.000 0.435 130 E N 0.234 120.433 120.200 -0.003 0.000 2.110 130 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 130 E C 2.019 178.618 176.600 -0.001 0.000 0.988 130 E CA 1.068 57.467 56.400 -0.003 0.000 0.804 130 E CB -0.353 29.345 29.700 -0.004 0.000 0.745 130 E HN 0.424 nan 8.360 nan 0.000 0.458 131 R N 0.679 121.178 120.500 -0.001 0.000 2.081 131 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 131 R C 2.447 178.750 176.300 0.004 0.000 1.131 131 R CA 1.098 57.199 56.100 0.002 0.000 0.960 131 R CB -0.198 30.104 30.300 0.002 0.000 0.856 131 R HN 0.130 nan 8.270 nan 0.000 0.436 132 I N 0.556 121.129 120.570 0.005 0.000 2.252 132 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 132 I C 2.554 178.675 176.117 0.006 0.000 1.102 132 I CA 1.116 62.421 61.300 0.008 0.000 1.385 132 I CB -0.387 37.620 38.000 0.010 0.000 1.064 132 I HN 0.272 nan 8.210 nan 0.000 0.414 133 A N 0.879 123.701 122.820 0.002 0.000 1.933 133 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 133 A C 1.962 179.543 177.584 -0.005 0.000 1.175 133 A CA 1.712 53.748 52.037 -0.002 0.000 0.628 133 A CB -0.515 18.482 19.000 -0.004 0.000 0.814 133 A HN 0.409 nan 8.150 nan 0.000 0.444 134 N N 0.010 118.708 118.700 -0.003 0.000 2.422 134 N HA 0.161 4.901 4.740 -0.000 0.000 0.181 134 N C 0.658 176.166 175.510 -0.004 0.000 1.080 134 N CA 0.768 53.816 53.050 -0.004 0.000 0.893 134 N CB -0.284 38.201 38.487 -0.004 0.000 0.973 134 N HN 0.472 nan 8.380 nan 0.000 0.456 135 A N 0.004 122.823 122.820 -0.001 0.000 2.386 135 A HA 0.316 4.636 4.320 -0.000 0.000 0.248 135 A C 1.242 178.823 177.584 -0.004 0.000 1.082 135 A CA -0.196 51.841 52.037 -0.000 0.000 0.789 135 A CB 0.439 19.442 19.000 0.005 0.000 1.025 135 A HN 0.159 nan 8.150 nan 0.000 0.490 136 S N 0.001 115.697 115.700 -0.007 0.000 2.446 136 S HA 0.370 4.840 4.470 -0.000 0.000 0.225 136 S C 0.736 175.332 174.600 -0.008 0.000 1.016 136 S CA 0.922 59.115 58.200 -0.010 0.000 0.943 136 S CB -0.104 63.086 63.200 -0.016 0.000 0.786 136 S HN 1.334 nan 8.310 nan 0.000 0.508 137 A N 0.536 123.353 122.820 -0.005 0.000 2.594 137 A HA 0.729 5.049 4.320 -0.000 0.000 0.295 137 A C -1.941 175.647 177.584 0.007 0.000 1.071 137 A CA -0.654 51.382 52.037 -0.001 0.000 0.685 137 A CB 1.206 20.200 19.000 -0.009 0.000 1.285 137 A HN 0.201 nan 8.150 nan 0.000 0.405 138 L N 1.526 122.757 121.223 0.014 0.000 2.376 138 L HA 0.818 5.158 4.340 -0.000 0.000 0.275 138 L C -1.654 175.229 176.870 0.022 0.000 0.987 138 L CA -0.598 54.255 54.840 0.022 0.000 0.828 138 L CB 1.531 43.607 42.059 0.027 0.000 1.249 138 L HN 0.742 nan 8.230 nan 0.000 0.409 139 L N 6.066 127.304 121.223 0.024 0.000 2.313 139 L HA 0.762 5.102 4.340 -0.000 0.000 0.283 139 L C -1.026 175.867 176.870 0.039 0.000 1.013 139 L CA -0.023 54.830 54.840 0.020 0.000 0.816 139 L CB 1.342 43.402 42.059 0.001 0.000 1.236 139 L HN 0.769 nan 8.230 nan 0.000 0.419 140 M N 3.455 123.077 119.600 0.036 0.000 2.631 140 M HA 0.571 5.051 4.480 -0.000 0.000 0.288 140 M C -0.961 175.362 176.300 0.038 0.000 1.260 140 M CA -0.715 54.612 55.300 0.045 0.000 0.842 140 M CB 2.491 35.114 32.600 0.038 0.000 1.743 140 M HN 0.541 nan 8.290 nan 0.000 0.461 141 Q N 0.220 120.045 119.800 0.041 0.000 3.146 141 Q HA 0.634 4.974 4.340 -0.000 0.000 0.318 141 Q C -0.600 175.416 176.000 0.027 0.000 0.992 141 Q CA -0.773 55.051 55.803 0.034 0.000 0.809 141 Q CB 1.126 29.886 28.738 0.037 0.000 1.490 141 Q HN 0.657 nan 8.270 nan 0.000 0.493 142 L N 0.994 122.230 121.223 0.021 0.000 3.062 142 L HA 0.358 4.698 4.340 -0.000 0.000 0.255 142 L C 0.042 176.918 176.870 0.010 0.000 1.274 142 L CA 0.219 55.067 54.840 0.013 0.000 1.047 142 L CB 0.233 42.297 42.059 0.009 0.000 1.402 142 L HN 0.597 nan 8.230 nan 0.000 0.550 143 E N -0.298 119.912 120.200 0.016 0.000 2.451 143 E HA 0.190 4.540 4.350 -0.000 0.000 0.194 143 E C -0.023 176.578 176.600 0.002 0.000 1.027 143 E CA -0.128 56.278 56.400 0.010 0.000 0.914 143 E CB 0.827 30.539 29.700 0.019 0.000 1.054 143 E HN 0.216 nan 8.360 nan 0.000 0.461 144 S N 1.287 116.988 115.700 0.002 0.000 2.600 144 S HA 0.428 4.898 4.470 -0.000 0.000 0.300 144 S C -2.579 172.014 174.600 -0.011 0.000 1.087 144 S CA -1.402 56.793 58.200 -0.009 0.000 0.965 144 S CB 1.682 64.880 63.200 -0.004 0.000 1.089 144 S HN -0.086 nan 8.310 nan 0.000 0.496 145 P HA 0.074 nan 4.420 nan 0.000 0.264 145 P C 0.717 178.010 177.300 -0.010 0.000 1.193 145 P CA -0.227 62.863 63.100 -0.016 0.000 0.763 145 P CB 0.354 32.042 31.700 -0.020 0.000 0.810 146 L N 4.534 125.752 121.223 -0.008 0.000 2.079 146 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 146 L C 1.689 178.555 176.870 -0.007 0.000 1.081 146 L CA 2.064 56.900 54.840 -0.006 0.000 0.752 146 L CB -0.846 41.209 42.059 -0.006 0.000 0.896 146 L HN 0.313 nan 8.230 nan 0.000 0.433 147 E N -0.868 119.327 120.200 -0.008 0.000 2.118 147 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 147 E C 2.207 178.803 176.600 -0.008 0.000 0.992 147 E CA 1.532 57.928 56.400 -0.008 0.000 0.804 147 E CB -0.462 29.233 29.700 -0.009 0.000 0.741 147 E HN 0.458 nan 8.360 nan 0.000 0.458 148 S N -0.058 115.636 115.700 -0.010 0.000 2.371 148 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 148 S C 2.127 176.724 174.600 -0.005 0.000 1.029 148 S CA 0.833 59.027 58.200 -0.011 0.000 0.978 148 S CB -0.187 63.003 63.200 -0.017 0.000 0.833 148 S HN 0.059 nan 8.310 nan 0.000 0.466 149 V N 1.901 121.814 119.914 -0.003 0.000 2.343 149 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 149 V C 2.330 178.425 176.094 0.003 0.000 1.051 149 V CA 1.998 64.300 62.300 0.003 0.000 1.036 149 V CB -0.586 31.239 31.823 0.005 0.000 0.654 149 V HN 0.436 nan 8.190 nan 0.000 0.451 150 M N 0.878 120.477 119.600 -0.001 0.000 2.086 150 M HA -0.078 4.402 4.480 -0.000 0.000 0.261 150 M C 2.090 178.390 176.300 0.001 0.000 1.067 150 M CA 2.294 57.592 55.300 -0.004 0.000 1.116 150 M CB -0.717 31.879 32.600 -0.007 0.000 1.348 150 M HN 0.233 nan 8.290 nan 0.000 0.407 151 A N -0.149 122.672 122.820 0.001 0.000 1.908 151 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 151 A C 2.379 179.969 177.584 0.010 0.000 1.181 151 A CA 2.235 54.274 52.037 0.004 0.000 0.627 151 A CB -1.512 17.488 19.000 -0.001 0.000 0.818 151 A HN 0.675 nan 8.150 nan 0.000 0.445 152 A N -0.303 122.523 122.820 0.009 0.000 1.898 152 A HA 0.202 4.522 4.320 -0.000 0.000 0.216 152 A C 2.500 180.099 177.584 0.025 0.000 1.181 152 A CA 1.978 54.023 52.037 0.014 0.000 0.620 152 A CB -0.983 18.024 19.000 0.012 0.000 0.819 152 A HN 1.059 nan 8.150 nan 0.000 0.442 153 A N 0.004 122.838 122.820 0.023 0.000 1.902 153 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 153 A C 2.111 179.728 177.584 0.055 0.000 1.181 153 A CA 1.851 53.907 52.037 0.031 0.000 0.623 153 A CB -0.442 18.564 19.000 0.010 0.000 0.818 153 A HN 0.547 nan 8.150 nan 0.000 0.443 154 K N -0.465 119.960 120.400 0.042 0.000 2.057 154 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 154 K C 1.820 178.472 176.600 0.088 0.000 1.049 154 K CA 1.532 57.859 56.287 0.067 0.000 0.931 154 K CB -0.378 32.144 32.500 0.037 0.000 0.714 154 K HN 0.541 nan 8.250 nan 0.000 0.440 155 I N 1.032 121.634 120.570 0.053 0.000 2.179 155 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 155 I C 2.558 178.700 176.117 0.043 0.000 1.088 155 I CA 1.117 62.441 61.300 0.039 0.000 1.357 155 I CB -0.443 37.571 38.000 0.022 0.000 1.051 155 I HN 0.160 nan 8.210 nan 0.000 0.409 156 A N 0.220 123.072 122.820 0.053 0.000 1.877 156 A HA -0.317 4.003 4.320 -0.000 0.000 0.216 156 A C 2.196 179.820 177.584 0.066 0.000 1.186 156 A CA 2.229 54.296 52.037 0.050 0.000 0.620 156 A CB -1.032 17.999 19.000 0.052 0.000 0.822 156 A HN 0.519 nan 8.150 nan 0.000 0.443 157 H N -0.174 118.898 119.070 0.003 0.000 2.267 157 H HA -0.168 4.388 4.556 -0.000 0.000 0.297 157 H C 2.112 177.441 175.328 0.002 0.000 1.080 157 H CA 2.390 58.440 56.048 0.004 0.000 1.278 157 H CB -0.386 29.379 29.762 0.005 0.000 1.365 157 H HN 0.572 nan 8.280 nan 0.000 0.489 158 Q N -0.497 119.288 119.800 -0.024 0.000 2.308 158 Q HA -0.118 4.222 4.340 -0.000 0.000 0.209 158 Q C 0.749 176.694 176.000 -0.092 0.000 0.985 158 Q CA 1.356 57.113 55.803 -0.077 0.000 0.881 158 Q CB 0.122 28.864 28.738 0.007 0.000 0.917 158 Q HN 0.565 nan 8.270 nan 0.000 0.443 159 N N -0.128 118.532 118.700 -0.065 0.000 2.282 159 N HA 0.101 4.841 4.740 -0.000 0.000 0.240 159 N C -0.848 174.629 175.510 -0.054 0.000 1.182 159 N CA 0.048 53.068 53.050 -0.051 0.000 0.874 159 N CB 0.870 39.343 38.487 -0.023 0.000 1.126 159 N HN 0.089 nan 8.380 nan 0.000 0.516 160 K N 0.190 120.538 120.400 -0.086 0.000 3.071 160 K HA -0.121 4.199 4.320 -0.000 0.000 0.265 160 K C -0.724 175.860 176.600 -0.028 0.000 1.060 160 K CA 0.610 56.858 56.287 -0.066 0.000 0.767 160 K CB -1.795 30.670 32.500 -0.059 0.000 1.241 160 K HN 0.111 nan 8.250 nan 0.000 0.486 161 T N 1.203 115.750 114.554 -0.012 0.000 2.767 161 T HA 0.412 4.762 4.350 -0.000 0.000 0.288 161 T C 0.735 175.446 174.700 0.018 0.000 0.963 161 T CA -0.676 61.426 62.100 0.003 0.000 1.019 161 T CB 0.830 69.704 68.868 0.009 0.000 0.923 161 T HN 0.126 nan 8.240 nan 0.000 0.468 162 I N 3.149 123.727 120.570 0.014 0.000 2.752 162 I HA 0.038 4.208 4.170 -0.000 0.000 0.289 162 I C 0.084 176.218 176.117 0.028 0.000 1.197 162 I CA -0.039 61.274 61.300 0.021 0.000 1.432 162 I CB 0.396 38.401 38.000 0.009 0.000 1.359 162 I HN 0.241 nan 8.210 nan 0.000 0.571 163 V N 6.993 126.930 119.914 0.040 0.000 2.311 163 V HA 0.476 4.596 4.120 -0.000 0.000 0.275 163 V C 0.416 176.527 176.094 0.029 0.000 1.022 163 V CA -0.502 61.820 62.300 0.037 0.000 0.830 163 V CB 1.072 32.923 31.823 0.047 0.000 1.012 163 V HN 0.830 nan 8.190 nan 0.000 0.452 164 A N 5.925 128.758 122.820 0.022 0.000 2.271 164 A HA 0.836 5.156 4.320 -0.000 0.000 0.317 164 A C -0.969 176.629 177.584 0.023 0.000 1.245 164 A CA -0.441 51.608 52.037 0.020 0.000 0.857 164 A CB 0.923 19.928 19.000 0.008 0.000 1.175 164 A HN 0.783 nan 8.150 nan 0.000 0.512 165 L N 3.069 124.308 121.223 0.027 0.000 2.349 165 L HA 0.395 4.735 4.340 -0.000 0.000 0.278 165 L C -0.232 176.658 176.870 0.033 0.000 0.996 165 L CA -0.277 54.579 54.840 0.027 0.000 0.825 165 L CB 1.439 43.511 42.059 0.021 0.000 1.243 165 L HN 0.752 nan 8.230 nan 0.000 0.412 166 N N 6.877 125.599 118.700 0.036 0.000 2.558 166 N HA 0.306 5.046 4.740 -0.000 0.000 0.233 166 N C -2.246 173.283 175.510 0.032 0.000 1.038 166 N CA -1.562 51.514 53.050 0.043 0.000 0.934 166 N CB 1.236 39.752 38.487 0.048 0.000 1.175 166 N HN 0.448 nan 8.380 nan 0.000 0.512 167 P HA 0.087 nan 4.420 nan 0.000 0.235 167 P C -1.189 176.120 177.300 0.016 0.000 1.720 167 P CA 0.075 63.185 63.100 0.017 0.000 1.003 167 P CB -0.255 31.453 31.700 0.013 0.000 1.968 168 A N 2.253 125.084 122.820 0.018 0.000 2.414 168 A HA 0.743 5.063 4.320 -0.000 0.000 0.306 168 A C -2.907 174.685 177.584 0.014 0.000 1.054 168 A CA -2.280 49.767 52.037 0.015 0.000 0.724 168 A CB 1.231 20.242 19.000 0.019 0.000 1.267 168 A HN 0.027 nan 8.150 nan 0.000 0.418 169 P HA 0.328 nan 4.420 nan 0.000 0.272 169 P C 0.030 177.332 177.300 0.004 0.000 1.230 169 P CA 0.063 63.166 63.100 0.005 0.000 0.788 169 P CB 0.638 32.339 31.700 0.001 0.000 0.949 170 A N 3.235 126.056 122.820 0.002 0.000 2.565 170 A HA 0.318 4.638 4.320 -0.000 0.000 0.237 170 A C 0.526 178.110 177.584 -0.001 0.000 1.053 170 A CA 0.789 52.826 52.037 0.000 0.000 0.755 170 A CB -0.671 18.328 19.000 -0.001 0.000 0.980 170 A HN 0.735 nan 8.150 nan 0.000 0.506 171 R N 1.069 121.568 120.500 -0.001 0.000 2.828 171 R HA 0.386 4.726 4.340 -0.000 0.000 0.280 171 R C -1.412 174.886 176.300 -0.003 0.000 1.020 171 R CA -0.852 55.246 56.100 -0.003 0.000 0.855 171 R CB 0.634 30.933 30.300 -0.002 0.000 1.278 171 R HN 0.572 nan 8.270 nan 0.000 0.495 172 E N 1.228 121.425 120.200 -0.004 0.000 2.343 172 E HA 0.381 4.731 4.350 -0.000 0.000 0.269 172 E C -0.582 176.016 176.600 -0.005 0.000 1.047 172 E CA -0.550 55.847 56.400 -0.005 0.000 0.874 172 E CB 1.130 30.827 29.700 -0.005 0.000 1.033 172 E HN 0.270 nan 8.360 nan 0.000 0.409 173 L N 3.226 124.446 121.223 -0.005 0.000 2.381 173 L HA 0.451 4.791 4.340 -0.000 0.000 0.268 173 L C -2.126 174.739 176.870 -0.008 0.000 0.997 173 L CA -2.273 52.563 54.840 -0.006 0.000 0.818 173 L CB 1.801 43.856 42.059 -0.006 0.000 1.310 173 L HN 0.410 nan 8.230 nan 0.000 0.416 174 P HA 0.048 nan 4.420 nan 0.000 0.269 174 P C -0.471 176.822 177.300 -0.012 0.000 1.209 174 P CA -0.249 62.846 63.100 -0.010 0.000 0.776 174 P CB 1.189 32.883 31.700 -0.010 0.000 0.876 175 D N 1.009 121.402 120.400 -0.012 0.000 2.178 175 D HA -0.171 4.469 4.640 -0.000 0.000 0.201 175 D C 1.619 177.906 176.300 -0.022 0.000 0.980 175 D CA 1.183 55.175 54.000 -0.014 0.000 0.842 175 D CB -0.057 40.737 40.800 -0.011 0.000 0.948 175 D HN 0.645 nan 8.370 nan 0.000 0.472 176 E N 0.321 120.507 120.200 -0.023 0.000 2.085 176 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 176 E C 2.089 178.663 176.600 -0.043 0.000 0.994 176 E CA 0.707 57.087 56.400 -0.033 0.000 0.801 176 E CB -0.029 29.655 29.700 -0.026 0.000 0.743 176 E HN 0.118 nan 8.360 nan 0.000 0.453 177 L N 0.814 122.018 121.223 -0.032 0.000 2.023 177 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 177 L C 2.236 179.086 176.870 -0.034 0.000 1.073 177 L CA 1.472 56.293 54.840 -0.031 0.000 0.745 177 L CB -0.591 41.457 42.059 -0.018 0.000 0.900 177 L HN 0.227 nan 8.230 nan 0.000 0.435 178 L N -0.045 121.164 121.223 -0.024 0.000 2.081 178 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 178 L C 2.640 179.495 176.870 -0.026 0.000 1.080 178 L CA 1.298 56.127 54.840 -0.019 0.000 0.754 178 L CB -1.075 40.976 42.059 -0.014 0.000 0.893 178 L HN 0.436 nan 8.230 nan 0.000 0.433 179 A N -0.112 122.683 122.820 -0.043 0.000 2.019 179 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 179 A C 2.112 179.633 177.584 -0.105 0.000 1.164 179 A CA 1.242 53.243 52.037 -0.060 0.000 0.644 179 A CB -0.507 18.450 19.000 -0.072 0.000 0.805 179 A HN 0.449 nan 8.150 nan 0.000 0.449 180 L N -0.211 120.938 121.223 -0.123 0.000 2.591 180 L HA 0.097 4.437 4.340 -0.000 0.000 0.228 180 L C -0.120 176.729 176.870 -0.035 0.000 1.133 180 L CA -0.312 54.432 54.840 -0.161 0.000 0.880 180 L CB -0.009 41.955 42.059 -0.159 0.000 1.033 180 L HN 0.056 nan 8.230 nan 0.000 0.450 181 V N 0.215 120.122 119.914 -0.012 0.000 2.607 181 V HA 0.082 4.202 4.120 -0.000 0.000 0.289 181 V C 0.582 176.697 176.094 0.036 0.000 1.053 181 V CA -0.198 62.112 62.300 0.017 0.000 0.996 181 V CB 1.755 33.586 31.823 0.012 0.000 0.995 181 V HN 0.152 nan 8.190 nan 0.000 0.476 182 D N 2.614 123.041 120.400 0.045 0.000 2.431 182 D HA 0.259 4.899 4.640 -0.000 0.000 0.235 182 D C 0.276 176.606 176.300 0.049 0.000 0.980 182 D CA 1.030 55.061 54.000 0.051 0.000 0.912 182 D CB 0.983 41.812 40.800 0.048 0.000 1.056 182 D HN 0.394 nan 8.370 nan 0.000 0.494 183 I N 1.587 122.181 120.570 0.039 0.000 2.478 183 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 183 I C -0.845 175.295 176.117 0.038 0.000 1.042 183 I CA -0.615 60.709 61.300 0.040 0.000 1.067 183 I CB 2.998 41.016 38.000 0.030 0.000 1.233 183 I HN -0.193 nan 8.210 nan 0.000 0.431 184 I N 5.550 126.144 120.570 0.040 0.000 2.474 184 I HA 0.435 4.605 4.170 -0.000 0.000 0.294 184 I C 0.019 176.169 176.117 0.055 0.000 1.005 184 I CA -0.148 61.173 61.300 0.036 0.000 1.113 184 I CB 2.015 40.025 38.000 0.016 0.000 1.289 184 I HN 0.684 nan 8.210 nan 0.000 0.436 185 T N 3.539 118.133 114.554 0.068 0.000 3.444 185 T HA 0.527 4.877 4.350 -0.000 0.000 0.265 185 T C -2.708 172.032 174.700 0.067 0.000 1.537 185 T CA -1.696 60.464 62.100 0.099 0.000 1.530 185 T CB 0.175 69.143 68.868 0.166 0.000 0.958 185 T HN 0.240 nan 8.240 nan 0.000 0.684 186 P HA 0.320 nan 4.420 nan 0.000 0.276 186 P C -0.083 177.225 177.300 0.013 0.000 1.244 186 P CA -0.556 62.558 63.100 0.024 0.000 0.801 186 P CB 0.762 32.470 31.700 0.013 0.000 1.006 187 N N -0.112 118.589 118.700 0.002 0.000 2.514 187 N HA 0.126 4.866 4.740 -0.000 0.000 0.299 187 N C 0.813 176.320 175.510 -0.006 0.000 1.292 187 N CA -0.254 52.789 53.050 -0.012 0.000 0.963 187 N CB -0.348 38.130 38.487 -0.014 0.000 1.124 187 N HN 0.318 nan 8.380 nan 0.000 0.580 188 E N -0.968 119.226 120.200 -0.010 0.000 2.051 188 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 188 E C 1.360 177.953 176.600 -0.011 0.000 0.991 188 E CA 1.835 58.228 56.400 -0.012 0.000 0.799 188 E CB -0.353 29.338 29.700 -0.015 0.000 0.748 188 E HN 0.623 nan 8.360 nan 0.000 0.449 189 T N 1.032 115.582 114.554 -0.007 0.000 2.788 189 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 189 T C 1.556 176.253 174.700 -0.005 0.000 1.044 189 T CA 1.308 63.405 62.100 -0.005 0.000 1.139 189 T CB -0.154 68.713 68.868 -0.002 0.000 0.867 189 T HN 0.215 nan 8.240 nan 0.000 0.454 190 E N 0.992 121.190 120.200 -0.003 0.000 2.112 190 E HA 0.084 4.434 4.350 -0.000 0.000 0.190 190 E C 2.561 179.158 176.600 -0.005 0.000 0.979 190 E CA 0.747 57.146 56.400 -0.002 0.000 0.814 190 E CB -0.187 29.515 29.700 0.003 0.000 0.762 190 E HN 0.448 nan 8.360 nan 0.000 0.460 191 A N 1.686 124.503 122.820 -0.006 0.000 1.858 191 A HA -0.290 4.030 4.320 -0.000 0.000 0.216 191 A C 2.130 179.704 177.584 -0.016 0.000 1.190 191 A CA 1.811 53.841 52.037 -0.011 0.000 0.617 191 A CB -0.551 18.442 19.000 -0.012 0.000 0.827 191 A HN 0.284 nan 8.150 nan 0.000 0.443 192 E N -0.471 119.719 120.200 -0.017 0.000 2.085 192 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 192 E C 1.980 178.572 176.600 -0.014 0.000 0.994 192 E CA 1.669 58.059 56.400 -0.018 0.000 0.801 192 E CB -0.088 29.602 29.700 -0.018 0.000 0.743 192 E HN 0.411 nan 8.360 nan 0.000 0.453 193 K N 0.416 120.810 120.400 -0.010 0.000 2.148 193 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 193 K C 1.913 178.508 176.600 -0.009 0.000 1.050 193 K CA 1.024 57.306 56.287 -0.008 0.000 0.942 193 K CB -0.076 32.420 32.500 -0.006 0.000 0.724 193 K HN 0.213 nan 8.250 nan 0.000 0.446 194 L N -0.603 120.614 121.223 -0.010 0.000 2.307 194 L HA 0.028 4.368 4.340 -0.000 0.000 0.211 194 L C 1.845 178.708 176.870 -0.013 0.000 1.099 194 L CA 1.347 56.180 54.840 -0.011 0.000 0.816 194 L CB -0.166 41.886 42.059 -0.011 0.000 0.952 194 L HN 0.323 nan 8.230 nan 0.000 0.455 195 T N -5.241 109.304 114.554 -0.015 0.000 2.985 195 T HA 0.259 4.609 4.350 -0.000 0.000 0.254 195 T C 1.436 176.127 174.700 -0.015 0.000 1.021 195 T CA 0.498 62.589 62.100 -0.016 0.000 0.957 195 T CB 0.908 69.763 68.868 -0.021 0.000 1.047 195 T HN 0.323 nan 8.240 nan 0.000 0.511 196 G N 1.661 110.452 108.800 -0.015 0.000 2.162 196 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.260 196 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.260 196 G C -0.044 174.845 174.900 -0.017 0.000 0.976 196 G CA 0.252 45.344 45.100 -0.014 0.000 0.655 196 G HN 0.672 nan 8.290 nan 0.000 0.533 197 I N 0.543 121.100 120.570 -0.022 0.000 2.362 197 I HA 0.376 4.546 4.170 -0.000 0.000 0.289 197 I C 0.758 176.855 176.117 -0.034 0.000 0.994 197 I CA -0.971 60.311 61.300 -0.030 0.000 1.158 197 I CB 1.573 39.551 38.000 -0.036 0.000 1.315 197 I HN 0.113 nan 8.210 nan 0.000 0.451 198 R N 5.476 125.956 120.500 -0.034 0.000 2.389 198 R HA 0.429 4.769 4.340 -0.000 0.000 0.295 198 R C -1.222 175.049 176.300 -0.049 0.000 1.075 198 R CA -0.293 55.787 56.100 -0.034 0.000 1.005 198 R CB 0.938 31.221 30.300 -0.028 0.000 0.987 198 R HN 0.452 nan 8.270 nan 0.000 0.452 199 V N 5.627 125.511 119.914 -0.050 0.000 2.328 199 V HA 0.178 4.298 4.120 -0.000 0.000 0.278 199 V C 0.219 176.277 176.094 -0.060 0.000 1.021 199 V CA -0.165 62.093 62.300 -0.069 0.000 0.838 199 V CB 1.297 33.078 31.823 -0.071 0.000 0.999 199 V HN 0.973 nan 8.190 nan 0.000 0.447 200 E N 3.131 123.290 120.200 -0.069 0.000 2.508 200 E HA 0.164 4.514 4.350 -0.000 0.000 0.217 200 E C -0.056 176.505 176.600 -0.065 0.000 0.896 200 E CA 0.027 56.395 56.400 -0.054 0.000 1.118 200 E CB 0.893 30.567 29.700 -0.043 0.000 1.133 200 E HN 0.913 nan 8.360 nan 0.000 0.526 201 N N -0.912 117.729 118.700 -0.100 0.000 2.732 201 N HA 0.093 4.833 4.740 -0.000 0.000 0.259 201 N C -0.232 175.146 175.510 -0.219 0.000 1.402 201 N CA -0.575 52.405 53.050 -0.118 0.000 0.829 201 N CB 0.695 39.126 38.487 -0.093 0.000 1.495 201 N HN -0.373 nan 8.380 nan 0.000 0.511 202 D N -0.029 120.220 120.400 -0.253 0.000 2.133 202 D HA -0.239 4.401 4.640 -0.000 0.000 0.195 202 D C 1.112 177.029 176.300 -0.639 0.000 0.997 202 D CA 1.541 55.211 54.000 -0.549 0.000 0.840 202 D CB -0.037 40.535 40.800 -0.380 0.000 0.947 202 D HN 0.824 nan 8.370 nan 0.000 0.452 203 E N 0.544 120.539 120.200 -0.342 0.000 2.118 203 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 203 E C 1.365 177.808 176.600 -0.262 0.000 0.992 203 E CA 1.190 57.437 56.400 -0.256 0.000 0.804 203 E CB 0.194 29.809 29.700 -0.141 0.000 0.741 203 E HN 0.199 nan 8.360 nan 0.000 0.458 204 D N 0.147 120.400 120.400 -0.245 0.000 2.097 204 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 204 D C 1.911 178.059 176.300 -0.254 0.000 0.984 204 D CA 1.262 55.145 54.000 -0.196 0.000 0.826 204 D CB -0.294 40.419 40.800 -0.146 0.000 0.973 204 D HN 0.294 nan 8.370 nan 0.000 0.460 205 A N 1.640 124.218 122.820 -0.403 0.000 1.873 205 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 205 A C 2.398 179.683 177.584 -0.497 0.000 1.193 205 A CA 2.693 54.434 52.037 -0.494 0.000 0.629 205 A CB -0.896 17.620 19.000 -0.806 0.000 0.826 205 A HN 0.255 nan 8.150 nan 0.000 0.447 206 A N -0.479 121.915 122.820 -0.710 0.000 1.908 206 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 206 A C 2.162 179.725 177.584 -0.034 0.000 1.181 206 A CA 2.174 54.092 52.037 -0.198 0.000 0.627 206 A CB -0.477 18.439 19.000 -0.140 0.000 0.818 206 A HN 0.591 nan 8.150 nan 0.000 0.445 207 K N -0.487 119.852 120.400 -0.101 0.000 2.097 207 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 207 K C 2.106 178.689 176.600 -0.030 0.000 1.050 207 K CA 1.088 57.349 56.287 -0.043 0.000 0.938 207 K CB -0.288 32.175 32.500 -0.061 0.000 0.718 207 K HN 0.370 nan 8.250 nan 0.000 0.442 208 A N 0.977 123.762 122.820 -0.059 0.000 1.898 208 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 208 A C 2.293 179.855 177.584 -0.036 0.000 1.181 208 A CA 1.593 53.603 52.037 -0.044 0.000 0.620 208 A CB -0.667 18.301 19.000 -0.054 0.000 0.819 208 A HN 0.447 nan 8.150 nan 0.000 0.442 209 A N -0.867 121.945 122.820 -0.013 0.000 1.933 209 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 209 A C 2.133 179.647 177.584 -0.116 0.000 1.175 209 A CA 2.060 54.056 52.037 -0.068 0.000 0.628 209 A CB -0.499 18.585 19.000 0.139 0.000 0.814 209 A HN 0.522 nan 8.150 nan 0.000 0.444 210 Q N 0.061 119.924 119.800 0.105 0.000 2.096 210 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 210 Q C 1.850 177.908 176.000 0.096 0.000 0.982 210 Q CA 2.202 58.121 55.803 0.194 0.000 0.850 210 Q CB -0.663 28.157 28.738 0.136 0.000 0.901 210 Q HN 0.353 nan 8.270 nan 0.000 0.422 211 V N 0.317 120.247 119.914 0.027 0.000 2.287 211 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 211 V C 2.284 178.375 176.094 -0.004 0.000 1.053 211 V CA 1.850 64.157 62.300 0.011 0.000 1.027 211 V CB -0.588 31.231 31.823 -0.006 0.000 0.646 211 V HN 0.388 nan 8.190 nan 0.000 0.447 212 L N -1.096 120.089 121.223 -0.063 0.000 2.093 212 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 212 L C 2.662 179.500 176.870 -0.054 0.000 1.085 212 L CA 1.237 56.024 54.840 -0.087 0.000 0.755 212 L CB -0.856 41.114 42.059 -0.149 0.000 0.904 212 L HN 0.417 nan 8.230 nan 0.000 0.435 213 H N 0.336 119.430 119.070 0.039 0.000 2.353 213 H HA -0.131 4.425 4.556 -0.000 0.000 0.300 213 H C 2.051 177.394 175.328 0.026 0.000 1.090 213 H CA 1.304 57.373 56.048 0.036 0.000 1.327 213 H CB -0.031 29.758 29.762 0.044 0.000 1.383 213 H HN 0.460 nan 8.280 nan 0.000 0.508 214 E N 0.579 120.865 120.200 0.144 0.000 2.268 214 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 214 E C 1.815 178.446 176.600 0.052 0.000 0.995 214 E CA 0.343 56.793 56.400 0.082 0.000 0.836 214 E CB 0.216 29.953 29.700 0.061 0.000 0.763 214 E HN 0.202 nan 8.360 nan 0.000 0.491 215 K N -0.513 119.911 120.400 0.041 0.000 2.432 215 K HA 0.007 4.327 4.320 -0.000 0.000 0.196 215 K C 1.218 177.831 176.600 0.022 0.000 1.038 215 K CA 0.837 57.136 56.287 0.020 0.000 0.986 215 K CB 0.780 33.283 32.500 0.005 0.000 0.782 215 K HN 0.296 nan 8.250 nan 0.000 0.485 216 G N 1.225 110.053 108.800 0.046 0.000 2.159 216 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.170 216 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.170 216 G C 0.003 174.939 174.900 0.060 0.000 1.007 216 G CA -0.466 44.661 45.100 0.046 0.000 0.672 216 G HN 0.202 nan 8.290 nan 0.000 0.507 217 I N 1.165 121.782 120.570 0.077 0.000 2.307 217 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 217 I C 1.573 177.810 176.117 0.199 0.000 1.021 217 I CA -0.741 60.611 61.300 0.086 0.000 1.224 217 I CB 1.335 39.352 38.000 0.030 0.000 1.376 217 I HN 0.163 nan 8.210 nan 0.000 0.470 218 R N 3.459 124.058 120.500 0.165 0.000 2.075 218 R HA -0.018 4.322 4.340 -0.000 0.000 0.232 218 R C 0.208 176.649 176.300 0.236 0.000 1.126 218 R CA 1.135 57.344 56.100 0.182 0.000 0.963 218 R CB 0.259 30.608 30.300 0.083 0.000 0.858 218 R HN 0.554 nan 8.270 nan 0.000 0.435 219 T N 1.295 115.948 114.554 0.164 0.000 2.788 219 T HA 0.393 4.743 4.350 -0.000 0.000 0.296 219 T C -1.142 173.628 174.700 0.116 0.000 1.009 219 T CA -0.524 61.665 62.100 0.148 0.000 0.949 219 T CB 1.931 70.845 68.868 0.077 0.000 0.946 219 T HN -0.141 nan 8.240 nan 0.000 0.453 220 V N 5.762 125.753 119.914 0.128 0.000 2.409 220 V HA 0.490 4.610 4.120 -0.000 0.000 0.291 220 V C -0.413 175.731 176.094 0.083 0.000 1.020 220 V CA -0.812 61.508 62.300 0.034 0.000 0.848 220 V CB 1.429 33.163 31.823 -0.148 0.000 0.990 220 V HN 0.742 nan 8.190 nan 0.000 0.430 221 L N 6.395 127.673 121.223 0.092 0.000 2.342 221 L HA 0.599 4.939 4.340 -0.000 0.000 0.276 221 L C -0.645 176.292 176.870 0.110 0.000 0.997 221 L CA -0.322 54.589 54.840 0.119 0.000 0.838 221 L CB 1.714 43.877 42.059 0.173 0.000 1.224 221 L HN 0.486 nan 8.230 nan 0.000 0.416 222 I N 2.940 123.591 120.570 0.136 0.000 2.306 222 I HA 0.167 4.337 4.170 -0.000 0.000 0.288 222 I C 0.753 176.901 176.117 0.052 0.000 1.036 222 I CA -0.395 60.965 61.300 0.099 0.000 1.221 222 I CB 1.600 39.682 38.000 0.135 0.000 1.385 222 I HN 0.591 nan 8.210 nan 0.000 0.472 223 T N 4.513 119.042 114.554 -0.042 0.000 2.916 223 T HA 0.334 4.684 4.350 -0.000 0.000 0.303 223 T C 0.417 175.085 174.700 -0.053 0.000 1.025 223 T CA -0.390 61.630 62.100 -0.133 0.000 1.142 223 T CB 1.042 69.757 68.868 -0.256 0.000 0.947 223 T HN 0.481 nan 8.240 nan 0.000 0.544 224 L N 2.583 123.782 121.223 -0.039 0.000 3.110 224 L HA 0.423 4.763 4.340 -0.000 0.000 0.266 224 L C 1.697 178.550 176.870 -0.028 0.000 1.257 224 L CA -0.352 54.480 54.840 -0.014 0.000 1.038 224 L CB -0.885 41.187 42.059 0.021 0.000 1.395 224 L HN 1.210 nan 8.230 nan 0.000 0.566 225 G N 1.652 110.424 108.800 -0.046 0.000 2.565 225 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.295 225 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.295 225 G C 0.949 175.825 174.900 -0.039 0.000 1.165 225 G CA 0.648 45.726 45.100 -0.036 0.000 0.977 225 G HN 0.468 nan 8.290 nan 0.000 0.546 226 S N 0.268 115.950 115.700 -0.029 0.000 2.561 226 S HA 0.101 4.571 4.470 -0.000 0.000 0.225 226 S C 1.861 176.426 174.600 -0.058 0.000 0.977 226 S CA 1.442 59.620 58.200 -0.036 0.000 0.926 226 S CB 0.135 63.325 63.200 -0.018 0.000 0.769 226 S HN 0.807 nan 8.310 nan 0.000 0.533 227 R N 1.063 121.535 120.500 -0.047 0.000 2.320 227 R HA 0.353 4.693 4.340 -0.000 0.000 0.211 227 R C 1.295 177.561 176.300 -0.058 0.000 0.931 227 R CA 0.626 56.701 56.100 -0.042 0.000 1.071 227 R CB -0.538 29.756 30.300 -0.010 0.000 1.025 227 R HN 0.558 nan 8.270 nan 0.000 0.495 228 G N -0.038 108.700 108.800 -0.104 0.000 2.554 228 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.253 228 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.253 228 G C -0.775 174.173 174.900 0.081 0.000 1.172 228 G CA -0.228 44.809 45.100 -0.105 0.000 0.950 228 G HN 0.420 nan 8.290 nan 0.000 0.557 229 V N 0.613 120.619 119.914 0.154 0.000 3.048 229 V HA 0.664 4.784 4.120 -0.000 0.000 0.303 229 V C -1.487 174.710 176.094 0.172 0.000 1.214 229 V CA -0.264 62.105 62.300 0.115 0.000 0.984 229 V CB 2.008 33.845 31.823 0.022 0.000 1.054 229 V HN 1.393 nan 8.190 nan 0.000 0.430 230 W N 7.037 128.349 121.300 0.021 0.000 2.317 230 W HA 0.721 5.381 4.660 -0.000 0.000 0.327 230 W C -0.230 176.320 176.519 0.051 0.000 1.036 230 W CA -0.340 57.024 57.345 0.033 0.000 1.419 230 W CB 1.064 30.534 29.460 0.017 0.000 1.253 230 W HN 0.901 nan 8.180 nan 0.000 0.392 231 A N 4.353 126.925 122.820 -0.413 0.000 2.309 231 A HA 0.464 4.784 4.320 -0.000 0.000 0.290 231 A C -0.468 176.876 177.584 -0.399 0.000 1.206 231 A CA -0.142 51.731 52.037 -0.272 0.000 0.850 231 A CB 0.984 19.886 19.000 -0.163 0.000 1.118 231 A HN 0.462 nan 8.150 nan 0.000 0.523 232 S N 1.990 117.623 115.700 -0.111 0.000 2.614 232 S HA 0.550 5.020 4.470 -0.000 0.000 0.288 232 S C -1.209 173.496 174.600 0.175 0.000 1.137 232 S CA -0.430 57.795 58.200 0.042 0.000 0.992 232 S CB 1.111 64.503 63.200 0.321 0.000 1.026 232 S HN 0.791 nan 8.310 nan 0.000 0.486 233 V N 6.131 126.072 119.914 0.045 0.000 2.326 233 V HA 0.473 4.593 4.120 -0.000 0.000 0.281 233 V C 0.050 176.028 176.094 -0.194 0.000 1.015 233 V CA -0.869 61.431 62.300 -0.001 0.000 0.823 233 V CB 0.854 32.664 31.823 -0.021 0.000 1.009 233 V HN 1.030 nan 8.190 nan 0.000 0.436 234 N N 4.507 122.913 118.700 -0.491 0.000 2.714 234 N HA -0.236 4.504 4.740 -0.000 0.000 0.252 234 N C 1.231 176.405 175.510 -0.561 0.000 1.014 234 N CA 1.498 54.139 53.050 -0.682 0.000 0.735 234 N CB -0.810 37.531 38.487 -0.243 0.000 0.924 234 N HN 1.404 nan 8.380 nan 0.000 0.540 235 G N -0.438 107.957 108.800 -0.675 0.000 2.258 235 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.233 235 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.233 235 G C -0.136 174.771 174.900 0.012 0.000 1.006 235 G CA 0.374 45.392 45.100 -0.135 0.000 0.620 235 G HN 0.565 nan 8.290 nan 0.000 0.511 236 E N 1.201 121.381 120.200 -0.033 0.000 1.963 236 E HA 0.528 4.878 4.350 -0.000 0.000 0.274 236 E C 0.731 177.314 176.600 -0.027 0.000 1.061 236 E CA 0.151 56.550 56.400 -0.002 0.000 0.847 236 E CB -0.091 29.590 29.700 -0.032 0.000 1.083 236 E HN 0.492 nan 8.360 nan 0.000 0.402 237 G N 3.022 111.834 108.800 0.020 0.000 2.509 237 G HA2 0.438 4.398 3.960 -0.000 0.000 0.328 237 G HA3 0.438 4.398 3.960 -0.000 0.000 0.328 237 G C -1.053 173.447 174.900 -0.666 0.000 1.194 237 G CA -0.328 44.581 45.100 -0.319 0.000 0.967 237 G HN 0.535 nan 8.290 nan 0.000 0.488 238 Q N -1.149 117.826 119.800 -1.376 0.000 2.687 238 Q HA 0.420 4.760 4.340 -0.000 0.000 0.295 238 Q C -1.356 174.064 176.000 -0.966 0.000 0.920 238 Q CA -0.889 54.337 55.803 -0.960 0.000 0.766 238 Q CB 2.098 30.614 28.738 -0.370 0.000 1.467 238 Q HN 0.617 nan 8.270 nan 0.000 0.415 239 R N 1.043 121.374 120.500 -0.282 0.000 2.407 239 R HA 0.610 4.950 4.340 -0.000 0.000 0.303 239 R C -1.544 174.743 176.300 -0.022 0.000 0.981 239 R CA -0.321 55.774 56.100 -0.008 0.000 0.905 239 R CB 1.466 31.908 30.300 0.236 0.000 1.099 239 R HN 0.348 nan 8.270 nan 0.000 0.459 240 V N 6.988 126.919 119.914 0.027 0.000 2.304 240 V HA 0.328 4.448 4.120 -0.000 0.000 0.278 240 V C -2.211 173.926 176.094 0.072 0.000 1.018 240 V CA -2.128 60.212 62.300 0.068 0.000 0.814 240 V CB 1.297 33.202 31.823 0.137 0.000 1.021 240 V HN 0.833 nan 8.190 nan 0.000 0.440 241 P HA 0.215 nan 4.420 nan 0.000 0.268 241 P C 0.556 177.523 177.300 -0.556 0.000 1.205 241 P CA 0.451 63.418 63.100 -0.222 0.000 0.771 241 P CB 0.837 32.432 31.700 -0.174 0.000 0.858 242 G N 1.402 109.757 108.800 -0.742 0.000 2.531 242 G HA2 0.477 4.437 3.960 -0.000 0.000 0.253 242 G HA3 0.477 4.437 3.960 -0.000 0.000 0.253 242 G C -0.991 173.529 174.900 -0.633 0.000 1.439 242 G CA -0.473 44.005 45.100 -1.037 0.000 1.056 242 G HN 0.326 nan 8.290 nan 0.000 0.555 243 F N -0.920 118.981 119.950 -0.082 0.000 2.470 243 F HA 0.519 5.046 4.527 -0.000 0.000 0.329 243 F C 0.826 176.654 175.800 0.047 0.000 1.072 243 F CA -0.710 57.328 58.000 0.063 0.000 0.989 243 F CB 1.779 40.945 39.000 0.277 0.000 1.193 243 F HN 0.060 nan 8.300 nan 0.000 0.481 244 R N 2.015 122.666 120.500 0.250 0.000 2.220 244 R HA 0.552 4.891 4.340 -0.000 0.000 0.340 244 R C -1.035 175.361 176.300 0.160 0.000 1.076 244 R CA -0.448 55.739 56.100 0.144 0.000 0.920 244 R CB 0.621 30.977 30.300 0.093 0.000 1.062 244 R HN 0.538 nan 8.270 nan 0.000 0.469 245 V N -0.440 119.546 119.914 0.121 0.000 3.160 245 V HA 0.391 4.511 4.120 -0.000 0.000 0.310 245 V C -0.786 175.342 176.094 0.057 0.000 1.181 245 V CA -1.349 61.012 62.300 0.101 0.000 1.047 245 V CB 2.305 34.190 31.823 0.103 0.000 1.068 245 V HN 0.591 nan 8.190 nan 0.000 0.441 246 Q N 1.770 121.597 119.800 0.045 0.000 2.377 246 Q HA 0.684 5.024 4.340 -0.000 0.000 0.249 246 Q C 0.180 176.190 176.000 0.017 0.000 1.005 246 Q CA -0.216 55.603 55.803 0.026 0.000 0.912 246 Q CB 1.601 30.353 28.738 0.022 0.000 1.223 246 Q HN 1.110 nan 8.270 nan 0.000 0.459 247 A N 2.036 124.863 122.820 0.012 0.000 2.386 247 A HA 0.306 4.626 4.320 -0.000 0.000 0.248 247 A C 0.910 178.494 177.584 -0.000 0.000 1.082 247 A CA -0.175 51.865 52.037 0.005 0.000 0.789 247 A CB 0.468 19.473 19.000 0.007 0.000 1.025 247 A HN 0.731 nan 8.150 nan 0.000 0.490 248 V N -2.098 117.812 119.914 -0.006 0.000 3.251 248 V HA 0.365 4.485 4.120 -0.000 0.000 0.239 248 V C -0.006 176.081 176.094 -0.011 0.000 1.332 248 V CA 0.896 63.188 62.300 -0.013 0.000 1.224 248 V CB 0.421 32.230 31.823 -0.023 0.000 1.004 248 V HN 0.771 nan 8.190 nan 0.000 0.464 249 D N 1.074 121.470 120.400 -0.008 0.000 2.764 249 D HA 0.299 4.939 4.640 -0.000 0.000 0.227 249 D C 0.154 176.456 176.300 0.004 0.000 1.347 249 D CA 0.703 54.703 54.000 0.000 0.000 0.953 249 D CB 2.051 42.844 40.800 -0.011 0.000 1.476 249 D HN 0.378 nan 8.370 nan 0.000 0.585 250 T N 1.061 115.624 114.554 0.015 0.000 3.186 250 T HA 0.337 4.687 4.350 -0.000 0.000 0.257 250 T C 1.252 175.963 174.700 0.017 0.000 1.029 250 T CA -0.332 61.776 62.100 0.014 0.000 0.916 250 T CB -0.489 68.389 68.868 0.017 0.000 1.041 250 T HN 0.339 nan 8.240 nan 0.000 0.562 251 I N 1.767 122.348 120.570 0.018 0.000 2.648 251 I HA 0.342 4.512 4.170 -0.000 0.000 0.284 251 I C 1.323 177.445 176.117 0.009 0.000 1.153 251 I CA 0.349 61.661 61.300 0.019 0.000 1.426 251 I CB 0.457 38.469 38.000 0.020 0.000 1.381 251 I HN 0.448 nan 8.210 nan 0.000 0.571 252 A N 4.289 127.115 122.820 0.010 0.000 3.021 252 A HA -0.254 4.066 4.320 -0.000 0.000 0.257 252 A C 1.705 179.295 177.584 0.010 0.000 1.277 252 A CA 0.970 53.010 52.037 0.005 0.000 1.012 252 A CB -1.946 17.049 19.000 -0.009 0.000 1.147 252 A HN 1.007 nan 8.150 nan 0.000 0.861 253 A N -0.524 122.306 122.820 0.017 0.000 1.877 253 A HA 0.255 4.575 4.320 -0.000 0.000 0.216 253 A C 2.632 180.254 177.584 0.064 0.000 1.186 253 A CA 2.112 54.166 52.037 0.028 0.000 0.620 253 A CB -1.223 17.788 19.000 0.019 0.000 0.822 253 A HN 1.922 nan 8.150 nan 0.000 0.443 254 G N -0.272 108.560 108.800 0.053 0.000 2.402 254 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 254 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 254 G C 1.129 176.104 174.900 0.125 0.000 1.162 254 G CA 1.151 46.303 45.100 0.087 0.000 0.777 254 G HN 0.461 nan 8.290 nan 0.000 0.539 255 D N 0.461 120.898 120.400 0.062 0.000 2.117 255 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 255 D C 2.664 178.974 176.300 0.017 0.000 0.987 255 D CA 1.509 55.528 54.000 0.030 0.000 0.829 255 D CB -0.521 40.276 40.800 -0.004 0.000 0.961 255 D HN 0.230 nan 8.370 nan 0.000 0.460 256 T N 0.666 115.232 114.554 0.020 0.000 2.821 256 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 256 T C 1.692 176.405 174.700 0.022 0.000 1.046 256 T CA 0.477 62.569 62.100 -0.014 0.000 1.139 256 T CB -0.415 68.435 68.868 -0.030 0.000 0.871 256 T HN 0.100 nan 8.240 nan 0.000 0.454 257 F N 2.801 122.723 119.950 -0.046 0.000 2.069 257 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 257 F C 1.888 177.670 175.800 -0.029 0.000 1.113 257 F CA 1.401 59.379 58.000 -0.036 0.000 1.214 257 F CB -0.587 38.402 39.000 -0.019 0.000 0.978 257 F HN 0.082 nan 8.300 nan 0.000 0.474 258 N N 0.093 118.814 118.700 0.035 0.000 2.084 258 N HA -0.094 4.646 4.740 -0.000 0.000 0.190 258 N C 2.123 177.563 175.510 -0.118 0.000 1.030 258 N CA 1.593 54.605 53.050 -0.064 0.000 0.849 258 N CB -1.046 37.462 38.487 0.036 0.000 1.012 258 N HN 0.429 nan 8.380 nan 0.000 0.423 259 G N 0.087 108.834 108.800 -0.089 0.000 2.418 259 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 259 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 259 G C 1.528 176.381 174.900 -0.078 0.000 1.158 259 G CA 0.976 46.019 45.100 -0.095 0.000 0.771 259 G HN 0.428 nan 8.290 nan 0.000 0.545 260 A N 0.194 122.967 122.820 -0.079 0.000 1.929 260 A HA 0.169 4.489 4.320 -0.000 0.000 0.216 260 A C 2.318 179.935 177.584 0.056 0.000 1.176 260 A CA 1.531 53.594 52.037 0.044 0.000 0.628 260 A CB -0.357 18.603 19.000 -0.066 0.000 0.816 260 A HN 0.426 nan 8.150 nan 0.000 0.444 261 L N 0.198 121.300 121.223 -0.202 0.000 1.970 261 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 261 L C 2.079 178.859 176.870 -0.151 0.000 1.071 261 L CA 1.909 56.583 54.840 -0.277 0.000 0.751 261 L CB -0.439 41.292 42.059 -0.546 0.000 0.889 261 L HN 0.335 nan 8.230 nan 0.000 0.432 262 I N -0.541 119.952 120.570 -0.128 0.000 2.361 262 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 262 I C 2.383 178.447 176.117 -0.089 0.000 1.133 262 I CA 1.578 62.823 61.300 -0.092 0.000 1.413 262 I CB -2.123 35.835 38.000 -0.071 0.000 1.073 262 I HN 0.327 nan 8.210 nan 0.000 0.424 263 T N 1.428 115.935 114.554 -0.078 0.000 2.708 263 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 263 T C 2.097 176.680 174.700 -0.195 0.000 1.037 263 T CA 1.633 63.675 62.100 -0.096 0.000 1.146 263 T CB -0.249 68.600 68.868 -0.033 0.000 0.865 263 T HN 0.468 nan 8.240 nan 0.000 0.435 264 A N 1.163 123.826 122.820 -0.262 0.000 1.902 264 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 264 A C 2.308 179.763 177.584 -0.214 0.000 1.181 264 A CA 1.157 52.965 52.037 -0.382 0.000 0.623 264 A CB -0.827 17.960 19.000 -0.354 0.000 0.818 264 A HN 0.470 nan 8.150 nan 0.000 0.443 265 L N -0.649 120.488 121.223 -0.144 0.000 2.083 265 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 265 L C 2.360 179.175 176.870 -0.091 0.000 1.083 265 L CA 0.921 55.700 54.840 -0.101 0.000 0.752 265 L CB -0.491 41.521 42.059 -0.078 0.000 0.899 265 L HN 0.357 nan 8.230 nan 0.000 0.433 266 L N -0.530 120.637 121.223 -0.093 0.000 2.362 266 L HA -0.140 4.200 4.340 -0.000 0.000 0.219 266 L C 1.785 178.605 176.870 -0.083 0.000 1.134 266 L CA 0.821 55.616 54.840 -0.075 0.000 0.807 266 L CB -0.313 41.707 42.059 -0.066 0.000 0.927 266 L HN 0.310 nan 8.230 nan 0.000 0.447 267 E N 0.046 120.176 120.200 -0.116 0.000 2.465 267 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 267 E C -0.121 176.422 176.600 -0.095 0.000 1.053 267 E CA -0.108 56.223 56.400 -0.114 0.000 0.869 267 E CB 0.276 29.875 29.700 -0.168 0.000 0.977 267 E HN 0.316 nan 8.360 nan 0.000 0.483 268 E N 0.503 120.652 120.200 -0.084 0.000 2.868 268 E HA -0.192 4.158 4.350 -0.000 0.000 0.278 268 E C -0.665 175.895 176.600 -0.066 0.000 1.009 268 E CA 0.428 56.789 56.400 -0.065 0.000 0.856 268 E CB -0.935 28.735 29.700 -0.050 0.000 1.428 268 E HN 0.184 nan 8.360 nan 0.000 0.423 269 K N 1.584 121.931 120.400 -0.088 0.000 2.276 269 K HA 0.220 4.540 4.320 -0.000 0.000 0.283 269 K C -2.056 174.512 176.600 -0.054 0.000 1.044 269 K CA -1.512 54.729 56.287 -0.077 0.000 0.944 269 K CB 0.645 33.078 32.500 -0.112 0.000 1.012 269 K HN -0.029 nan 8.250 nan 0.000 0.472 270 P HA -0.121 nan 4.420 nan 0.000 0.267 270 P C 0.750 178.036 177.300 -0.023 0.000 1.201 270 P CA -0.221 62.864 63.100 -0.025 0.000 0.775 270 P CB 0.629 32.319 31.700 -0.016 0.000 0.854 271 L N 5.103 126.312 121.223 -0.023 0.000 2.010 271 L HA -0.170 4.170 4.340 -0.000 0.000 0.219 271 L C -0.596 176.269 176.870 -0.008 0.000 1.077 271 L CA 2.822 57.649 54.840 -0.021 0.000 0.773 271 L CB -2.278 39.768 42.059 -0.021 0.000 0.892 271 L HN 0.400 nan 8.230 nan 0.000 0.436 272 P HA -0.254 nan 4.420 nan 0.000 0.214 272 P C 1.460 178.789 177.300 0.048 0.000 1.163 272 P CA 1.951 65.061 63.100 0.016 0.000 0.889 272 P CB -0.091 31.613 31.700 0.007 0.000 0.790 273 E N 0.054 120.280 120.200 0.044 0.000 2.077 273 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 273 E C 2.162 178.818 176.600 0.093 0.000 0.989 273 E CA 1.167 57.612 56.400 0.075 0.000 0.800 273 E CB -0.466 29.261 29.700 0.044 0.000 0.746 273 E HN 0.081 nan 8.360 nan 0.000 0.452 274 A N 1.153 123.991 122.820 0.031 0.000 1.908 274 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 274 A C 2.150 179.754 177.584 0.034 0.000 1.181 274 A CA 1.413 53.455 52.037 0.009 0.000 0.627 274 A CB -0.645 18.320 19.000 -0.058 0.000 0.818 274 A HN 0.339 nan 8.150 nan 0.000 0.445 275 I N -1.338 119.236 120.570 0.007 0.000 2.394 275 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 275 I C 2.690 178.834 176.117 0.046 0.000 1.136 275 I CA 1.565 62.845 61.300 -0.033 0.000 1.425 275 I CB -0.292 37.722 38.000 0.023 0.000 1.079 275 I HN 0.368 nan 8.210 nan 0.000 0.425 276 R N 0.787 121.403 120.500 0.194 0.000 2.075 276 R HA -0.214 4.126 4.340 -0.000 0.000 0.232 276 R C 2.391 178.947 176.300 0.426 0.000 1.126 276 R CA 1.581 57.902 56.100 0.367 0.000 0.963 276 R CB -0.411 30.081 30.300 0.320 0.000 0.858 276 R HN 0.212 nan 8.270 nan 0.000 0.435 277 F N 0.958 120.999 119.950 0.151 0.000 2.095 277 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 277 F C 2.049 177.884 175.800 0.059 0.000 1.104 277 F CA 1.727 59.784 58.000 0.095 0.000 1.232 277 F CB -0.522 38.485 39.000 0.011 0.000 0.987 277 F HN 0.136 nan 8.300 nan 0.000 0.475 278 A N -0.547 122.319 122.820 0.076 0.000 1.902 278 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 278 A C 2.129 179.787 177.584 0.124 0.000 1.181 278 A CA 1.781 53.740 52.037 -0.130 0.000 0.623 278 A CB -1.207 17.400 19.000 -0.655 0.000 0.818 278 A HN 0.571 nan 8.150 nan 0.000 0.443 279 H N -0.147 119.128 119.070 0.342 0.000 2.353 279 H HA -0.055 4.501 4.556 -0.000 0.000 0.300 279 H C 2.581 178.082 175.328 0.288 0.000 1.090 279 H CA 1.364 57.655 56.048 0.406 0.000 1.327 279 H CB -0.675 29.343 29.762 0.427 0.000 1.383 279 H HN 0.510 nan 8.280 nan 0.000 0.508 280 A N 1.182 124.190 122.820 0.313 0.000 1.865 280 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 280 A C 2.747 180.044 177.584 -0.479 0.000 1.191 280 A CA 2.256 54.122 52.037 -0.285 0.000 0.623 280 A CB -1.079 17.798 19.000 -0.205 0.000 0.826 280 A HN 0.448 nan 8.150 nan 0.000 0.444 281 A N -0.293 122.303 122.820 -0.373 0.000 1.908 281 A HA 0.099 4.419 4.320 -0.000 0.000 0.218 281 A C 2.525 179.982 177.584 -0.213 0.000 1.181 281 A CA 2.436 54.266 52.037 -0.346 0.000 0.627 281 A CB -1.093 17.688 19.000 -0.365 0.000 0.818 281 A HN 1.163 nan 8.150 nan 0.000 0.445 282 A N -0.299 122.480 122.820 -0.069 0.000 1.933 282 A HA 0.185 4.505 4.320 -0.000 0.000 0.218 282 A C 2.505 180.060 177.584 -0.048 0.000 1.175 282 A CA 2.040 54.084 52.037 0.012 0.000 0.628 282 A CB -1.009 18.099 19.000 0.179 0.000 0.814 282 A HN 1.064 nan 8.150 nan 0.000 0.444 283 A N 0.280 123.043 122.820 -0.095 0.000 1.865 283 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 283 A C 2.118 179.557 177.584 -0.241 0.000 1.191 283 A CA 1.642 53.591 52.037 -0.147 0.000 0.623 283 A CB -0.706 18.161 19.000 -0.223 0.000 0.826 283 A HN 0.503 nan 8.150 nan 0.000 0.444 284 I N -0.194 120.128 120.570 -0.413 0.000 2.208 284 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 284 I C 2.978 179.001 176.117 -0.157 0.000 1.097 284 I CA 1.114 62.229 61.300 -0.309 0.000 1.363 284 I CB -0.447 37.347 38.000 -0.342 0.000 1.051 284 I HN 0.381 nan 8.210 nan 0.000 0.413 285 A N 0.860 123.597 122.820 -0.137 0.000 1.908 285 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 285 A C 2.375 179.927 177.584 -0.054 0.000 1.181 285 A CA 2.159 54.147 52.037 -0.082 0.000 0.627 285 A CB -1.139 17.820 19.000 -0.068 0.000 0.818 285 A HN 0.409 nan 8.150 nan 0.000 0.445 286 V N -1.815 118.070 119.914 -0.048 0.000 3.078 286 V HA -0.083 4.037 4.120 -0.000 0.000 0.265 286 V C 1.838 177.918 176.094 -0.023 0.000 1.122 286 V CA 2.105 64.390 62.300 -0.025 0.000 1.141 286 V CB -1.735 30.082 31.823 -0.011 0.000 0.735 286 V HN 0.696 nan 8.190 nan 0.000 0.498 287 T N -1.916 112.618 114.554 -0.034 0.000 3.206 287 T HA 0.389 4.739 4.350 -0.000 0.000 0.253 287 T C 0.561 175.247 174.700 -0.023 0.000 1.042 287 T CA -0.331 61.756 62.100 -0.022 0.000 0.931 287 T CB -0.192 68.665 68.868 -0.017 0.000 1.029 287 T HN 0.625 nan 8.240 nan 0.000 0.564 288 R N 0.043 120.527 120.500 -0.028 0.000 2.888 288 R HA 0.647 4.987 4.340 -0.000 0.000 0.264 288 R C -0.930 175.352 176.300 -0.031 0.000 1.045 288 R CA -1.053 55.031 56.100 -0.026 0.000 0.962 288 R CB 1.820 32.106 30.300 -0.022 0.000 1.210 288 R HN 0.126 nan 8.270 nan 0.000 0.479 289 K N 0.434 120.812 120.400 -0.038 0.000 2.123 289 K HA 0.606 4.926 4.320 -0.000 0.000 0.259 289 K C -0.151 176.428 176.600 -0.036 0.000 0.960 289 K CA -0.330 55.929 56.287 -0.046 0.000 0.872 289 K CB 1.850 34.299 32.500 -0.085 0.000 1.079 289 K HN 0.810 nan 8.250 nan 0.000 0.440 290 G N 0.449 109.231 108.800 -0.030 0.000 2.746 290 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.685 290 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.685 290 G C 0.255 175.143 174.900 -0.020 0.000 1.350 290 G CA -0.369 44.713 45.100 -0.029 0.000 0.837 290 G HN 0.651 nan 8.290 nan 0.000 0.564 291 A N -0.083 122.728 122.820 -0.015 0.000 1.858 291 A HA 0.195 4.515 4.320 -0.000 0.000 0.215 291 A C 2.250 179.827 177.584 -0.013 0.000 1.320 291 A CA 2.192 54.224 52.037 -0.008 0.000 0.601 291 A CB -0.790 18.213 19.000 0.005 0.000 0.976 291 A HN 0.939 nan 8.150 nan 0.000 0.470 292 Q N -0.375 119.429 119.800 0.007 0.000 2.170 292 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 292 Q C -0.620 175.381 176.000 0.001 0.000 0.976 292 Q CA 1.851 57.657 55.803 0.004 0.000 0.858 292 Q CB -0.979 27.800 28.738 0.069 0.000 0.907 292 Q HN 0.514 nan 8.270 nan 0.000 0.433 293 P HA -0.142 nan 4.420 nan 0.000 0.218 293 P C 1.106 178.412 177.300 0.009 0.000 1.149 293 P CA 1.600 64.710 63.100 0.017 0.000 0.817 293 P CB 0.017 31.713 31.700 -0.007 0.000 0.785 294 S N -1.971 113.720 115.700 -0.014 0.000 2.562 294 S HA 0.035 4.505 4.470 -0.000 0.000 0.221 294 S C 0.761 175.331 174.600 -0.050 0.000 0.975 294 S CA -0.119 58.066 58.200 -0.025 0.000 0.918 294 S CB -1.067 62.115 63.200 -0.030 0.000 0.772 294 S HN -0.151 nan 8.310 nan 0.000 0.531 295 V N 5.581 125.449 119.914 -0.076 0.000 2.479 295 V HA 0.267 4.387 4.120 -0.000 0.000 0.281 295 V C -1.702 174.283 176.094 -0.182 0.000 1.031 295 V CA -1.734 60.480 62.300 -0.143 0.000 1.038 295 V CB 0.278 31.986 31.823 -0.192 0.000 0.981 295 V HN 0.390 nan 8.190 nan 0.000 0.478 296 P HA 0.155 nan 4.420 nan 0.000 0.274 296 P C -0.939 176.251 177.300 -0.183 0.000 1.237 296 P CA -0.521 62.521 63.100 -0.098 0.000 0.793 296 P CB 0.922 32.556 31.700 -0.109 0.000 0.977 297 W N 1.025 122.300 121.300 -0.043 0.000 2.415 297 W HA 0.386 5.046 4.660 -0.000 0.000 0.355 297 W C 2.029 178.542 176.519 -0.009 0.000 1.161 297 W CA -0.405 56.929 57.345 -0.017 0.000 1.315 297 W CB 0.025 29.482 29.460 -0.005 0.000 1.261 297 W HN 0.359 nan 8.180 nan 0.000 0.636 298 R N 0.907 121.570 120.500 0.271 0.000 2.096 298 R HA -0.215 4.125 4.340 -0.000 0.000 0.240 298 R C 1.555 177.965 176.300 0.183 0.000 1.139 298 R CA 2.318 58.548 56.100 0.218 0.000 0.952 298 R CB -0.500 29.938 30.300 0.229 0.000 0.854 298 R HN 0.651 nan 8.270 nan 0.000 0.436 299 E N -0.022 120.287 120.200 0.181 0.000 2.085 299 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 299 E C 1.976 178.639 176.600 0.105 0.000 0.994 299 E CA 1.670 58.141 56.400 0.119 0.000 0.801 299 E CB -0.135 29.613 29.700 0.080 0.000 0.743 299 E HN 0.555 nan 8.360 nan 0.000 0.453 300 E N 0.579 120.852 120.200 0.122 0.000 2.072 300 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 300 E C 2.208 178.845 176.600 0.063 0.000 0.985 300 E CA 0.784 57.239 56.400 0.091 0.000 0.801 300 E CB -0.088 29.672 29.700 0.101 0.000 0.750 300 E HN 0.284 nan 8.360 nan 0.000 0.452 301 I N 1.735 122.314 120.570 0.015 0.000 2.142 301 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 301 I C 1.928 178.065 176.117 0.033 0.000 1.078 301 I CA 1.113 62.361 61.300 -0.086 0.000 1.343 301 I CB -0.325 37.501 38.000 -0.291 0.000 1.046 301 I HN 0.034 nan 8.210 nan 0.000 0.405 302 D N 1.131 121.594 120.400 0.105 0.000 2.144 302 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 302 D C 2.240 178.593 176.300 0.089 0.000 0.984 302 D CA 1.542 55.622 54.000 0.133 0.000 0.834 302 D CB -0.144 40.741 40.800 0.142 0.000 0.955 302 D HN 0.368 nan 8.370 nan 0.000 0.465 303 A N 0.938 123.807 122.820 0.081 0.000 1.851 303 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 303 A C 2.145 179.751 177.584 0.037 0.000 1.195 303 A CA 1.211 53.280 52.037 0.053 0.000 0.622 303 A CB -1.212 17.823 19.000 0.058 0.000 0.831 303 A HN 0.230 nan 8.150 nan 0.000 0.444 304 F N 0.586 120.485 119.950 -0.085 0.000 2.087 304 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 304 F C 1.972 177.665 175.800 -0.178 0.000 1.100 304 F CA 2.011 59.921 58.000 -0.151 0.000 1.226 304 F CB -0.259 38.609 39.000 -0.219 0.000 0.983 304 F HN 0.156 nan 8.300 nan 0.000 0.479 305 L N -0.334 120.895 121.223 0.010 0.000 2.083 305 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 305 L C 1.983 178.815 176.870 -0.063 0.000 1.083 305 L CA 1.403 56.224 54.840 -0.031 0.000 0.752 305 L CB -0.756 41.367 42.059 0.107 0.000 0.899 305 L HN 0.080 nan 8.230 nan 0.000 0.433 306 D N -0.483 119.892 120.400 -0.042 0.000 2.183 306 D HA -0.100 4.540 4.640 -0.000 0.000 0.203 306 D C 2.258 178.508 176.300 -0.083 0.000 0.969 306 D CA 0.727 54.705 54.000 -0.036 0.000 0.842 306 D CB 0.026 40.820 40.800 -0.010 0.000 0.957 306 D HN 0.187 nan 8.370 nan 0.000 0.484 307 R N 0.457 120.865 120.500 -0.154 0.000 2.126 307 R HA -0.072 4.268 4.340 -0.000 0.000 0.224 307 R C 0.932 177.131 176.300 -0.169 0.000 1.128 307 R CA 0.701 56.699 56.100 -0.171 0.000 0.895 307 R CB -0.521 29.633 30.300 -0.243 0.000 0.817 307 R HN 0.210 nan 8.270 nan 0.000 0.435 308 Q N 0.000 119.636 119.800 -0.273 0.000 2.315 308 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 308 Q CA 0.000 55.706 55.803 -0.162 0.000 1.022 308 Q CB 0.000 28.671 28.738 -0.113 0.000 1.108 308 Q HN 0.000 nan 8.270 nan 0.000 0.481