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_C 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 FLDRQR 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 0.000 177.569 177.584 -0.024 0.000 1.274 4 A CA 0.000 52.018 52.037 -0.031 0.000 0.836 4 A CB 0.000 18.977 19.000 -0.039 0.000 0.831 5 G N 0.974 109.759 108.800 -0.026 0.000 2.732 5 G HA2 0.505 4.465 3.960 -0.000 0.000 0.244 5 G HA3 0.505 4.465 3.960 -0.000 0.000 0.244 5 G C 0.533 175.423 174.900 -0.016 0.000 1.226 5 G CA 0.541 45.630 45.100 -0.019 0.000 0.860 5 G HN 2.053 nan 8.290 nan 0.000 0.583 6 S N -0.776 114.918 115.700 -0.010 0.000 2.554 6 S HA 0.559 5.029 4.470 -0.000 0.000 0.278 6 S C -0.494 174.104 174.600 -0.004 0.000 1.242 6 S CA -0.805 57.392 58.200 -0.005 0.000 1.051 6 S CB 1.733 64.933 63.200 -0.000 0.000 0.986 6 S HN 0.765 nan 8.310 nan 0.000 0.502 7 L N 3.102 124.323 121.223 -0.002 0.000 2.329 7 L HA 0.767 5.107 4.340 -0.000 0.000 0.279 7 L C -1.234 175.645 176.870 0.016 0.000 1.014 7 L CA -0.599 54.241 54.840 0.000 0.000 0.814 7 L CB 1.843 43.895 42.059 -0.012 0.000 1.257 7 L HN 0.639 nan 8.230 nan 0.000 0.424 8 V N 5.619 125.549 119.914 0.027 0.000 2.407 8 V HA 0.495 4.615 4.120 -0.000 0.000 0.291 8 V C -0.524 175.614 176.094 0.072 0.000 1.018 8 V CA -0.653 61.678 62.300 0.052 0.000 0.842 8 V CB 1.817 33.666 31.823 0.043 0.000 0.996 8 V HN 0.557 nan 8.190 nan 0.000 0.426 9 V N 6.468 126.458 119.914 0.128 0.000 2.427 9 V HA 0.513 4.633 4.120 -0.000 0.000 0.286 9 V C -0.259 176.027 176.094 0.321 0.000 1.034 9 V CA -0.527 61.875 62.300 0.170 0.000 0.893 9 V CB 1.762 33.628 31.823 0.071 0.000 0.982 9 V HN 0.713 nan 8.190 nan 0.000 0.452 10 L N 4.968 126.319 121.223 0.213 0.000 2.343 10 L HA 0.949 5.289 4.340 -0.000 0.000 0.278 10 L C 0.111 177.082 176.870 0.167 0.000 0.996 10 L CA 0.350 55.275 54.840 0.142 0.000 0.831 10 L CB 1.209 43.300 42.059 0.053 0.000 1.232 10 L HN 0.843 nan 8.230 nan 0.000 0.413 11 G N 1.766 110.675 108.800 0.181 0.000 2.427 11 G HA2 0.294 4.254 3.960 -0.000 0.000 0.306 11 G HA3 0.294 4.254 3.960 -0.000 0.000 0.306 11 G C -1.353 173.625 174.900 0.131 0.000 1.280 11 G CA -0.054 45.151 45.100 0.175 0.000 0.837 11 G HN 0.695 nan 8.290 nan 0.000 0.482 12 S N -1.128 114.659 115.700 0.145 0.000 2.632 12 S HA 0.761 5.231 4.470 -0.000 0.000 0.267 12 S C -0.172 174.542 174.600 0.190 0.000 1.276 12 S CA -0.393 57.871 58.200 0.107 0.000 0.998 12 S CB 1.150 64.389 63.200 0.065 0.000 0.953 12 S HN 0.679 nan 8.310 nan 0.000 0.547 13 I N 1.664 122.302 120.570 0.115 0.000 2.512 13 I HA 0.413 4.583 4.170 -0.000 0.000 0.287 13 I C -0.570 175.607 176.117 0.100 0.000 1.069 13 I CA -0.486 60.892 61.300 0.132 0.000 1.056 13 I CB 1.796 39.857 38.000 0.101 0.000 1.229 13 I HN 0.758 nan 8.210 nan 0.000 0.429 14 N N 3.413 122.186 118.700 0.121 0.000 2.312 14 N HA 0.780 5.520 4.740 -0.000 0.000 0.296 14 N C -1.044 174.570 175.510 0.172 0.000 1.193 14 N CA -0.804 52.322 53.050 0.127 0.000 0.773 14 N CB 2.491 41.040 38.487 0.104 0.000 1.435 14 N HN 0.590 nan 8.380 nan 0.000 0.484 15 A N 1.137 124.063 122.820 0.176 0.000 2.267 15 A HA 0.350 4.670 4.320 -0.000 0.000 0.315 15 A C -1.212 176.418 177.584 0.077 0.000 1.297 15 A CA -0.712 51.414 52.037 0.148 0.000 0.865 15 A CB 0.285 19.386 19.000 0.168 0.000 1.165 15 A HN 0.547 nan 8.150 nan 0.000 0.513 16 D N 1.784 122.168 120.400 -0.027 0.000 2.256 16 D HA 0.253 4.893 4.640 -0.000 0.000 0.250 16 D C -0.325 175.833 176.300 -0.237 0.000 1.093 16 D CA 0.527 54.507 54.000 -0.034 0.000 0.882 16 D CB 0.620 41.404 40.800 -0.027 0.000 1.185 16 D HN 0.540 nan 8.370 nan 0.000 0.437 17 H N 2.215 121.267 119.070 -0.030 0.000 2.673 17 H HA 0.376 4.932 4.556 -0.000 0.000 0.293 17 H C -0.170 175.159 175.328 0.001 0.000 1.065 17 H CA -0.360 55.670 56.048 -0.030 0.000 1.236 17 H CB 0.878 30.692 29.762 0.086 0.000 1.389 17 H HN 0.192 nan 8.280 nan 0.000 0.481 18 I N 4.286 124.824 120.570 -0.052 0.000 2.378 18 I HA 0.160 4.330 4.170 -0.000 0.000 0.291 18 I C -0.548 175.674 176.117 0.175 0.000 0.992 18 I CA -0.816 60.522 61.300 0.064 0.000 1.154 18 I CB 2.077 40.088 38.000 0.018 0.000 1.315 18 I HN 0.213 nan 8.210 nan 0.000 0.448 19 L N 6.691 128.120 121.223 0.343 0.000 2.343 19 L HA 0.475 4.815 4.340 -0.000 0.000 0.278 19 L C -0.856 176.200 176.870 0.310 0.000 0.996 19 L CA -0.163 54.914 54.840 0.395 0.000 0.831 19 L CB 1.159 43.496 42.059 0.464 0.000 1.232 19 L HN 0.462 nan 8.230 nan 0.000 0.413 20 N N 4.849 123.698 118.700 0.248 0.000 2.488 20 N HA 0.648 5.388 4.740 -0.000 0.000 0.274 20 N C -1.198 174.381 175.510 0.115 0.000 1.111 20 N CA -0.140 53.017 53.050 0.177 0.000 0.974 20 N CB 0.944 39.522 38.487 0.151 0.000 1.089 20 N HN 0.372 nan 8.380 nan 0.000 0.465 21 L N 0.250 121.511 121.223 0.063 0.000 2.303 21 L HA 0.414 4.754 4.340 -0.000 0.000 0.256 21 L C 1.392 178.231 176.870 -0.053 0.000 1.034 21 L CA -0.777 54.058 54.840 -0.008 0.000 0.832 21 L CB 1.064 43.086 42.059 -0.062 0.000 1.403 21 L HN 0.474 nan 8.230 nan 0.000 0.419 22 Q N -0.119 119.639 119.800 -0.069 0.000 2.020 22 Q HA 0.118 4.458 4.340 -0.000 0.000 0.198 22 Q C -0.334 175.574 176.000 -0.153 0.000 0.974 22 Q CA 1.184 56.935 55.803 -0.087 0.000 0.829 22 Q CB 0.394 29.094 28.738 -0.064 0.000 0.894 22 Q HN 0.732 nan 8.270 nan 0.000 0.433 23 S N -0.410 115.197 115.700 -0.155 0.000 2.540 23 S HA 0.409 4.879 4.470 -0.000 0.000 0.275 23 S C -1.170 173.350 174.600 -0.133 0.000 1.123 23 S CA -0.818 57.253 58.200 -0.216 0.000 0.907 23 S CB 0.944 64.065 63.200 -0.131 0.000 1.081 23 S HN 0.197 nan 8.310 nan 0.000 0.476 24 F N 3.791 123.709 119.950 -0.052 0.000 2.629 24 F HA 0.172 4.699 4.527 -0.000 0.000 0.369 24 F C -1.431 174.306 175.800 -0.106 0.000 1.125 24 F CA -1.617 56.338 58.000 -0.075 0.000 1.330 24 F CB -0.495 38.524 39.000 0.032 0.000 1.071 24 F HN 0.260 nan 8.300 nan 0.000 0.595 25 P HA 0.091 nan 4.420 nan 0.000 0.271 25 P C -0.371 176.967 177.300 0.063 0.000 1.216 25 P CA -0.317 62.773 63.100 -0.016 0.000 0.776 25 P CB 0.797 32.434 31.700 -0.106 0.000 0.881 26 T N 0.376 114.957 114.554 0.046 0.000 2.899 26 T HA 0.382 4.732 4.350 -0.000 0.000 0.284 26 T C -2.442 172.283 174.700 0.043 0.000 1.004 26 T CA -2.277 59.855 62.100 0.053 0.000 1.043 26 T CB -0.318 68.572 68.868 0.037 0.000 1.013 26 T HN 0.180 nan 8.240 nan 0.000 0.518 27 P HA 0.195 nan 4.420 nan 0.000 0.263 27 P C 1.242 178.558 177.300 0.027 0.000 1.175 27 P CA 1.512 64.634 63.100 0.036 0.000 0.761 27 P CB -0.061 31.657 31.700 0.030 0.000 0.794 28 G N 1.554 110.370 108.800 0.026 0.000 2.328 28 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.256 28 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.256 28 G C 0.324 175.232 174.900 0.014 0.000 1.014 28 G CA 0.310 45.421 45.100 0.018 0.000 0.620 28 G HN 0.658 nan 8.290 nan 0.000 0.530 29 E N 0.954 121.163 120.200 0.014 0.000 2.354 29 E HA 0.507 4.857 4.350 -0.000 0.000 0.269 29 E C -0.576 176.023 176.600 -0.002 0.000 1.036 29 E CA 0.055 56.457 56.400 0.004 0.000 0.876 29 E CB 0.473 30.173 29.700 0.000 0.000 1.009 29 E HN 0.086 nan 8.360 nan 0.000 0.416 30 T N 3.873 118.421 114.554 -0.010 0.000 2.821 30 T HA 0.316 4.666 4.350 -0.000 0.000 0.307 30 T C -0.697 173.983 174.700 -0.034 0.000 1.034 30 T CA -0.540 61.550 62.100 -0.016 0.000 0.953 30 T CB 0.797 69.660 68.868 -0.009 0.000 0.968 30 T HN 0.215 nan 8.240 nan 0.000 0.462 31 V N 3.467 123.344 119.914 -0.062 0.000 2.713 31 V HA 0.550 4.670 4.120 -0.000 0.000 0.307 31 V C 0.537 176.587 176.094 -0.072 0.000 1.052 31 V CA -0.682 61.573 62.300 -0.075 0.000 0.967 31 V CB 2.085 33.840 31.823 -0.112 0.000 1.019 31 V HN 0.812 nan 8.190 nan 0.000 0.459 32 T N 2.547 117.069 114.554 -0.054 0.000 2.859 32 T HA 0.695 5.045 4.350 -0.000 0.000 0.281 32 T C 0.233 174.911 174.700 -0.036 0.000 1.005 32 T CA -0.210 61.865 62.100 -0.041 0.000 1.025 32 T CB 1.632 70.483 68.868 -0.030 0.000 0.977 32 T HN 1.007 nan 8.240 nan 0.000 0.458 33 G N 1.512 110.301 108.800 -0.017 0.000 2.685 33 G HA2 0.523 4.483 3.960 -0.000 0.000 0.298 33 G HA3 0.523 4.483 3.960 -0.000 0.000 0.298 33 G C 0.183 175.105 174.900 0.037 0.000 1.277 33 G CA -1.049 44.057 45.100 0.009 0.000 0.986 33 G HN 0.717 nan 8.290 nan 0.000 0.487 34 N N -0.808 117.928 118.700 0.061 0.000 2.185 34 N HA -0.002 4.738 4.740 -0.000 0.000 0.243 34 N C 0.856 176.445 175.510 0.132 0.000 1.276 34 N CA -0.305 52.795 53.050 0.083 0.000 0.941 34 N CB -0.671 37.866 38.487 0.084 0.000 1.129 34 N HN 0.533 nan 8.380 nan 0.000 0.417 35 H N -0.551 118.563 119.070 0.074 0.000 3.073 35 H HA -0.118 4.438 4.556 -0.000 0.000 0.340 35 H C -1.129 174.304 175.328 0.176 0.000 1.054 35 H CA 0.809 56.915 56.048 0.097 0.000 1.372 35 H CB 0.047 29.843 29.762 0.057 0.000 1.314 35 H HN 0.557 nan 8.280 nan 0.000 0.603 36 Y N 3.914 123.878 120.300 -0.560 0.000 2.331 36 Y HA 0.229 4.779 4.550 -0.000 0.000 0.326 36 Y C -1.085 174.615 175.900 -0.333 0.000 1.020 36 Y CA -0.698 57.252 58.100 -0.250 0.000 1.136 36 Y CB 1.007 39.383 38.460 -0.142 0.000 1.157 36 Y HN 0.714 nan 8.280 nan 0.000 0.444 37 Q N 4.761 124.199 119.800 -0.603 0.000 2.377 37 Q HA 0.789 5.129 4.340 -0.000 0.000 0.271 37 Q C -2.065 173.553 176.000 -0.636 0.000 1.077 37 Q CA -0.986 54.538 55.803 -0.466 0.000 0.820 37 Q CB 2.255 30.996 28.738 0.004 0.000 1.347 37 Q HN 0.592 nan 8.270 nan 0.000 0.444 38 V N 2.734 122.333 119.914 -0.525 0.000 2.305 38 V HA 0.766 4.886 4.120 -0.000 0.000 0.275 38 V C -0.603 175.224 176.094 -0.445 0.000 1.020 38 V CA -0.224 61.756 62.300 -0.534 0.000 0.811 38 V CB 0.595 32.126 31.823 -0.488 0.000 1.031 38 V HN 0.828 nan 8.190 nan 0.000 0.439 39 A N 3.975 126.555 122.820 -0.400 0.000 2.486 39 A HA 0.962 5.282 4.320 -0.000 0.000 0.289 39 A C -0.999 176.376 177.584 -0.350 0.000 1.176 39 A CA -0.602 51.170 52.037 -0.442 0.000 0.757 39 A CB 1.090 19.936 19.000 -0.256 0.000 1.337 39 A HN 0.436 nan 8.150 nan 0.000 0.423 40 F N 0.520 120.441 119.950 -0.048 0.000 2.456 40 F HA 0.522 5.049 4.527 -0.000 0.000 0.358 40 F C 1.144 176.930 175.800 -0.023 0.000 1.095 40 F CA 0.596 58.580 58.000 -0.026 0.000 1.216 40 F CB 0.851 39.844 39.000 -0.011 0.000 1.125 40 F HN 0.750 nan 8.300 nan 0.000 0.549 41 G N -0.046 108.871 108.800 0.194 0.000 3.166 41 G HA2 0.647 4.607 3.960 -0.000 0.000 0.267 41 G HA3 0.647 4.607 3.960 -0.000 0.000 0.267 41 G C -0.473 174.488 174.900 0.101 0.000 1.256 41 G CA -0.568 44.595 45.100 0.105 0.000 0.859 41 G HN 1.121 nan 8.290 nan 0.000 0.590 42 G N -0.814 108.030 108.800 0.074 0.000 3.338 42 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.686 42 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.686 42 G C 0.447 175.382 174.900 0.057 0.000 1.053 42 G CA 0.353 45.499 45.100 0.077 0.000 0.852 42 G HN 0.714 nan 8.290 nan 0.000 0.545 43 K N 1.151 121.580 120.400 0.048 0.000 2.074 43 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 43 K C 2.814 179.431 176.600 0.028 0.000 1.048 43 K CA 1.960 58.266 56.287 0.032 0.000 0.926 43 K CB -0.128 32.392 32.500 0.034 0.000 0.713 43 K HN 0.741 nan 8.250 nan 0.000 0.444 44 G N 1.136 109.991 108.800 0.093 0.000 2.433 44 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 44 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 44 G C 1.637 176.473 174.900 -0.107 0.000 1.186 44 G CA 1.011 46.205 45.100 0.156 0.000 0.779 44 G HN 0.377 nan 8.290 nan 0.000 0.543 45 A N 1.144 123.953 122.820 -0.017 0.000 1.898 45 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 45 A C 2.293 179.723 177.584 -0.257 0.000 1.181 45 A CA 1.858 53.734 52.037 -0.267 0.000 0.620 45 A CB -0.423 18.597 19.000 0.034 0.000 0.819 45 A HN 0.347 nan 8.150 nan 0.000 0.442 46 N N 0.119 118.747 118.700 -0.120 0.000 2.084 46 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 46 N C 1.854 177.273 175.510 -0.152 0.000 1.030 46 N CA 1.713 54.700 53.050 -0.105 0.000 0.849 46 N CB -0.536 37.924 38.487 -0.044 0.000 1.012 46 N HN 0.672 nan 8.380 nan 0.000 0.423 47 Q N 0.170 119.880 119.800 -0.150 0.000 2.167 47 Q HA 0.083 4.423 4.340 -0.000 0.000 0.202 47 Q C 2.022 177.885 176.000 -0.228 0.000 0.970 47 Q CA 1.247 56.962 55.803 -0.147 0.000 0.855 47 Q CB -0.071 28.614 28.738 -0.089 0.000 0.911 47 Q HN 0.403 nan 8.270 nan 0.000 0.438 48 A N 0.149 122.734 122.820 -0.391 0.000 1.930 48 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 48 A C 2.266 179.647 177.584 -0.338 0.000 1.175 48 A CA 1.100 52.853 52.037 -0.472 0.000 0.627 48 A CB -0.502 17.888 19.000 -1.016 0.000 0.815 48 A HN 0.204 nan 8.150 nan 0.000 0.443 49 V N -0.150 119.572 119.914 -0.321 0.000 2.358 49 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 49 V C 3.033 178.954 176.094 -0.288 0.000 1.047 49 V CA 1.795 63.926 62.300 -0.282 0.000 1.035 49 V CB -1.140 30.540 31.823 -0.239 0.000 0.658 49 V HN 0.599 nan 8.190 nan 0.000 0.452 50 A N -0.003 122.677 122.820 -0.234 0.000 1.933 50 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 50 A C 2.413 179.895 177.584 -0.169 0.000 1.175 50 A CA 2.069 53.983 52.037 -0.205 0.000 0.628 50 A CB -0.696 18.216 19.000 -0.146 0.000 0.814 50 A HN 0.551 nan 8.150 nan 0.000 0.444 51 A N -0.415 122.314 122.820 -0.151 0.000 1.855 51 A HA 0.166 4.485 4.320 -0.000 0.000 0.215 51 A C 2.460 179.983 177.584 -0.102 0.000 1.191 51 A CA 1.917 53.893 52.037 -0.102 0.000 0.613 51 A CB -1.510 17.429 19.000 -0.102 0.000 0.829 51 A HN 0.719 nan 8.150 nan 0.000 0.442 52 G N -0.470 108.243 108.800 -0.145 0.000 2.459 52 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 52 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 52 G C 1.756 176.567 174.900 -0.149 0.000 1.183 52 G CA 1.008 46.032 45.100 -0.126 0.000 0.776 52 G HN 0.555 nan 8.290 nan 0.000 0.552 53 R N 0.624 120.917 120.500 -0.346 0.000 2.120 53 R HA -0.050 4.290 4.340 -0.000 0.000 0.234 53 R C 2.872 179.092 176.300 -0.133 0.000 1.123 53 R CA 1.397 57.182 56.100 -0.526 0.000 0.975 53 R CB -0.223 29.389 30.300 -1.146 0.000 0.866 53 R HN 0.533 nan 8.270 nan 0.000 0.446 54 S N -1.074 114.582 115.700 -0.074 0.000 2.603 54 S HA 0.108 4.578 4.470 -0.000 0.000 0.220 54 S C 1.267 175.960 174.600 0.154 0.000 0.967 54 S CA 0.445 58.703 58.200 0.097 0.000 0.920 54 S CB 0.757 64.054 63.200 0.161 0.000 0.773 54 S HN 0.494 nan 8.310 nan 0.000 0.529 55 G N 0.149 108.998 108.800 0.082 0.000 2.154 55 G HA2 0.066 4.026 3.960 -0.000 0.000 0.186 55 G HA3 0.066 4.026 3.960 -0.000 0.000 0.186 55 G C 0.142 175.057 174.900 0.024 0.000 1.000 55 G CA -0.257 44.885 45.100 0.070 0.000 0.664 55 G HN 1.071 nan 8.290 nan 0.000 0.513 56 A N -0.050 122.772 122.820 0.005 0.000 2.304 56 A HA 0.665 4.985 4.320 -0.000 0.000 0.271 56 A C 0.368 177.947 177.584 -0.008 0.000 1.091 56 A CA -0.368 51.661 52.037 -0.014 0.000 0.812 56 A CB 0.355 19.339 19.000 -0.027 0.000 1.056 56 A HN 0.287 nan 8.150 nan 0.000 0.489 57 N N 1.692 120.386 118.700 -0.010 0.000 2.645 57 N HA 0.260 5.000 4.740 -0.000 0.000 0.233 57 N C -1.063 174.445 175.510 -0.003 0.000 1.058 57 N CA 0.037 53.086 53.050 -0.002 0.000 0.942 57 N CB 1.149 39.635 38.487 -0.002 0.000 1.210 57 N HN 0.602 nan 8.380 nan 0.000 0.512 58 I N 0.965 121.534 120.570 -0.003 0.000 2.569 58 I HA 0.636 4.806 4.170 -0.000 0.000 0.296 58 I C -1.075 175.056 176.117 0.024 0.000 1.028 58 I CA -0.820 60.480 61.300 0.000 0.000 1.082 58 I CB 1.942 39.925 38.000 -0.029 0.000 1.264 58 I HN 0.263 nan 8.210 nan 0.000 0.429 59 A N 6.569 129.419 122.820 0.049 0.000 2.355 59 A HA 0.736 5.056 4.320 -0.000 0.000 0.324 59 A C -1.726 175.961 177.584 0.172 0.000 1.117 59 A CA -0.469 51.618 52.037 0.084 0.000 0.785 59 A CB 1.236 20.270 19.000 0.057 0.000 1.254 59 A HN 0.566 nan 8.150 nan 0.000 0.453 60 F N 2.670 122.606 119.950 -0.023 0.000 2.477 60 F HA 0.617 5.144 4.527 -0.000 0.000 0.335 60 F C -0.774 175.012 175.800 -0.024 0.000 1.130 60 F CA -1.618 56.367 58.000 -0.026 0.000 0.948 60 F CB 1.057 40.037 39.000 -0.034 0.000 1.154 60 F HN 0.423 nan 8.300 nan 0.000 0.439 61 I N 6.533 127.024 120.570 -0.132 0.000 2.304 61 I HA 0.658 4.828 4.170 -0.000 0.000 0.291 61 I C -0.057 175.697 176.117 -0.605 0.000 1.018 61 I CA -0.195 60.939 61.300 -0.276 0.000 1.260 61 I CB 0.537 38.471 38.000 -0.108 0.000 1.390 61 I HN 0.768 nan 8.210 nan 0.000 0.475 62 A N 5.416 127.856 122.820 -0.632 0.000 2.536 62 A HA 0.797 5.117 4.320 -0.000 0.000 0.293 62 A C -1.728 175.654 177.584 -0.338 0.000 1.119 62 A CA -0.482 51.182 52.037 -0.620 0.000 0.654 62 A CB 1.586 19.875 19.000 -1.185 0.000 1.291 62 A HN 0.619 nan 8.150 nan 0.000 0.439 63 C N 0.762 119.922 119.300 -0.233 0.000 2.609 63 C HA 0.884 5.344 4.460 -0.000 0.000 0.313 63 C C 0.457 175.392 174.990 -0.092 0.000 1.175 63 C CA 0.070 59.006 59.018 -0.137 0.000 1.434 63 C CB 1.108 28.789 27.740 -0.099 0.000 2.005 63 C HN 1.168 nan 8.230 nan 0.000 0.471 64 T N 0.073 114.588 114.554 -0.065 0.000 2.910 64 T HA 0.841 5.191 4.350 -0.000 0.000 0.287 64 T C 0.249 174.940 174.700 -0.015 0.000 1.050 64 T CA -0.277 61.806 62.100 -0.029 0.000 1.011 64 T CB 1.650 70.505 68.868 -0.023 0.000 1.195 64 T HN 0.934 nan 8.240 nan 0.000 0.540 65 G N -0.184 108.621 108.800 0.008 0.000 2.557 65 G HA2 0.438 4.398 3.960 -0.000 0.000 0.292 65 G HA3 0.438 4.398 3.960 -0.000 0.000 0.292 65 G C -0.123 174.786 174.900 0.014 0.000 1.237 65 G CA -0.538 44.571 45.100 0.014 0.000 0.978 65 G HN 0.877 nan 8.290 nan 0.000 0.498 66 D N -1.005 119.404 120.400 0.015 0.000 2.538 66 D HA 0.123 4.763 4.640 -0.000 0.000 0.234 66 D C -0.079 176.235 176.300 0.023 0.000 1.191 66 D CA -0.503 53.505 54.000 0.014 0.000 0.828 66 D CB -0.043 40.763 40.800 0.010 0.000 0.981 66 D HN 0.309 nan 8.370 nan 0.000 0.490 67 D N -1.816 118.604 120.400 0.033 0.000 2.437 67 D HA 0.190 4.830 4.640 -0.000 0.000 0.259 67 D C 1.077 177.405 176.300 0.048 0.000 1.118 67 D CA -0.945 53.080 54.000 0.043 0.000 1.017 67 D CB 0.750 41.583 40.800 0.055 0.000 1.120 67 D HN -0.141 nan 8.370 nan 0.000 0.541 68 S N -0.787 114.945 115.700 0.054 0.000 2.383 68 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 68 S C 1.775 176.425 174.600 0.083 0.000 1.026 68 S CA 0.413 58.649 58.200 0.060 0.000 0.981 68 S CB -0.507 62.728 63.200 0.058 0.000 0.818 68 S HN 0.497 nan 8.310 nan 0.000 0.472 69 I N 1.847 122.479 120.570 0.103 0.000 2.286 69 I HA 0.001 4.171 4.170 -0.000 0.000 0.248 69 I C 2.178 178.375 176.117 0.134 0.000 1.115 69 I CA 1.531 62.924 61.300 0.154 0.000 1.392 69 I CB -1.000 37.099 38.000 0.166 0.000 1.065 69 I HN 0.339 nan 8.210 nan 0.000 0.418 70 G N -0.516 108.332 108.800 0.081 0.000 2.418 70 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 70 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 70 G C 1.608 176.511 174.900 0.006 0.000 1.158 70 G CA 0.855 45.976 45.100 0.036 0.000 0.771 70 G HN 0.539 nan 8.290 nan 0.000 0.545 71 E N 0.255 120.469 120.200 0.022 0.000 2.106 71 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 71 E C 2.541 179.144 176.600 0.006 0.000 0.984 71 E CA 1.104 57.511 56.400 0.011 0.000 0.806 71 E CB -0.205 29.508 29.700 0.023 0.000 0.750 71 E HN 0.378 nan 8.360 nan 0.000 0.458 72 S N -0.304 115.424 115.700 0.047 0.000 2.368 72 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 72 S C 2.063 176.611 174.600 -0.086 0.000 1.030 72 S CA 1.234 59.489 58.200 0.091 0.000 0.999 72 S CB -0.233 63.112 63.200 0.241 0.000 0.844 72 S HN 0.305 nan 8.310 nan 0.000 0.459 73 V N 1.803 121.545 119.914 -0.287 0.000 2.427 73 V HA -0.045 4.075 4.120 -0.000 0.000 0.248 73 V C 2.500 178.324 176.094 -0.450 0.000 1.051 73 V CA 1.891 63.667 62.300 -0.874 0.000 1.048 73 V CB -0.595 30.842 31.823 -0.642 0.000 0.666 73 V HN 0.482 nan 8.190 nan 0.000 0.456 74 R N -0.579 119.799 120.500 -0.203 0.000 2.096 74 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 74 R C 2.354 178.605 176.300 -0.082 0.000 1.127 74 R CA 1.982 58.019 56.100 -0.105 0.000 0.968 74 R CB -0.314 29.953 30.300 -0.055 0.000 0.861 74 R HN 0.651 nan 8.270 nan 0.000 0.440 75 Q N 0.092 119.849 119.800 -0.072 0.000 2.079 75 Q HA -0.220 4.120 4.340 -0.000 0.000 0.200 75 Q C 2.135 178.119 176.000 -0.027 0.000 0.974 75 Q CA 1.325 57.112 55.803 -0.026 0.000 0.840 75 Q CB -0.084 28.657 28.738 0.005 0.000 0.898 75 Q HN 0.166 nan 8.270 nan 0.000 0.430 76 Q N 1.417 121.170 119.800 -0.079 0.000 2.030 76 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 76 Q C 1.924 177.896 176.000 -0.046 0.000 0.986 76 Q CA 1.566 57.345 55.803 -0.041 0.000 0.843 76 Q CB -0.420 28.247 28.738 -0.118 0.000 0.904 76 Q HN 0.401 nan 8.270 nan 0.000 0.420 77 L N 0.049 121.200 121.223 -0.119 0.000 2.081 77 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 77 L C 2.399 179.261 176.870 -0.012 0.000 1.080 77 L CA 1.152 55.951 54.840 -0.068 0.000 0.754 77 L CB -0.856 41.176 42.059 -0.044 0.000 0.893 77 L HN 0.356 nan 8.230 nan 0.000 0.433 78 A N -0.082 122.738 122.820 0.001 0.000 2.019 78 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 78 A C 2.283 179.897 177.584 0.049 0.000 1.164 78 A CA 1.946 53.998 52.037 0.024 0.000 0.644 78 A CB -0.754 18.258 19.000 0.020 0.000 0.805 78 A HN 0.535 nan 8.150 nan 0.000 0.449 79 T N -3.707 110.887 114.554 0.066 0.000 3.129 79 T HA 0.069 4.419 4.350 -0.000 0.000 0.251 79 T C 0.315 175.137 174.700 0.203 0.000 1.117 79 T CA 0.681 62.853 62.100 0.120 0.000 1.034 79 T CB -0.039 68.903 68.868 0.124 0.000 0.968 79 T HN 0.280 nan 8.240 nan 0.000 0.526 80 D N 2.342 122.811 120.400 0.115 0.000 2.491 80 D HA 0.149 4.789 4.640 -0.000 0.000 0.228 80 D C 0.042 176.348 176.300 0.010 0.000 1.183 80 D CA -0.181 53.846 54.000 0.045 0.000 0.827 80 D CB -0.133 40.607 40.800 -0.100 0.000 0.989 80 D HN 0.245 nan 8.370 nan 0.000 0.494 81 N N 0.669 119.425 118.700 0.094 0.000 2.740 81 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 81 N C -0.552 174.968 175.510 0.017 0.000 1.062 81 N CA 0.648 53.741 53.050 0.072 0.000 0.704 81 N CB -1.489 37.061 38.487 0.105 0.000 0.968 81 N HN 0.446 nan 8.380 nan 0.000 0.547 82 I N 0.003 120.580 120.570 0.011 0.000 2.436 82 I HA 0.155 4.325 4.170 -0.000 0.000 0.289 82 I C 0.205 176.343 176.117 0.035 0.000 1.010 82 I CA -0.901 60.402 61.300 0.005 0.000 1.098 82 I CB 1.949 39.936 38.000 -0.020 0.000 1.266 82 I HN -0.141 nan 8.210 nan 0.000 0.434 83 D N 7.174 127.600 120.400 0.043 0.000 2.338 83 D HA 0.144 4.784 4.640 -0.000 0.000 0.255 83 D C 0.713 177.054 176.300 0.067 0.000 1.237 83 D CA -0.152 53.875 54.000 0.045 0.000 0.883 83 D CB 0.883 41.705 40.800 0.036 0.000 1.087 83 D HN 0.544 nan 8.370 nan 0.000 0.485 84 I N 0.686 121.289 120.570 0.056 0.000 3.861 84 I HA 0.080 4.250 4.170 -0.000 0.000 0.329 84 I C 1.079 177.207 176.117 0.019 0.000 1.321 84 I CA -0.447 60.889 61.300 0.059 0.000 1.126 84 I CB -0.082 37.947 38.000 0.048 0.000 1.018 84 I HN 0.070 nan 8.210 nan 0.000 0.407 85 T N 2.676 117.239 114.554 0.015 0.000 2.699 85 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 85 T C -0.484 174.205 174.700 -0.018 0.000 1.036 85 T CA 1.887 63.986 62.100 -0.001 0.000 1.147 85 T CB -1.246 67.624 68.868 0.003 0.000 0.862 85 T HN 0.424 nan 8.240 nan 0.000 0.446 86 P HA 0.169 nan 4.420 nan 0.000 0.245 86 P C -0.409 176.824 177.300 -0.112 0.000 1.212 86 P CA 0.206 63.274 63.100 -0.054 0.000 0.774 86 P CB -0.066 31.610 31.700 -0.039 0.000 0.999 87 V N 0.498 120.346 119.914 -0.109 0.000 2.389 87 V HA 0.124 4.244 4.120 -0.000 0.000 0.264 87 V C 0.661 176.690 176.094 -0.109 0.000 1.049 87 V CA 0.071 62.273 62.300 -0.162 0.000 0.932 87 V CB 0.526 32.273 31.823 -0.127 0.000 1.011 87 V HN 0.021 nan 8.190 nan 0.000 0.475 88 S N 3.951 119.580 115.700 -0.118 0.000 2.610 88 S HA 0.542 5.012 4.470 -0.000 0.000 0.273 88 S C -0.136 174.425 174.600 -0.066 0.000 1.274 88 S CA -0.526 57.627 58.200 -0.079 0.000 1.023 88 S CB 1.772 64.927 63.200 -0.074 0.000 0.962 88 S HN 0.458 nan 8.310 nan 0.000 0.523 89 V N 4.153 124.040 119.914 -0.044 0.000 2.347 89 V HA 0.311 4.431 4.120 -0.000 0.000 0.280 89 V C -0.413 175.666 176.094 -0.026 0.000 1.021 89 V CA -0.654 61.628 62.300 -0.031 0.000 0.847 89 V CB 0.946 32.757 31.823 -0.021 0.000 0.990 89 V HN 0.675 nan 8.190 nan 0.000 0.444 90 I N 5.173 125.728 120.570 -0.024 0.000 2.291 90 I HA 0.287 4.457 4.170 -0.000 0.000 0.292 90 I C 0.706 176.818 176.117 -0.008 0.000 1.064 90 I CA -0.459 60.830 61.300 -0.019 0.000 1.269 90 I CB 0.529 38.516 38.000 -0.023 0.000 1.418 90 I HN 0.580 nan 8.210 nan 0.000 0.485 91 K N 4.278 124.674 120.400 -0.007 0.000 2.448 91 K HA 0.270 4.590 4.320 -0.000 0.000 0.278 91 K C 1.165 177.766 176.600 0.002 0.000 1.009 91 K CA 0.589 56.875 56.287 -0.001 0.000 0.995 91 K CB 0.327 32.825 32.500 -0.002 0.000 0.917 91 K HN 0.906 nan 8.250 nan 0.000 0.481 92 G N 1.772 110.576 108.800 0.007 0.000 2.184 92 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.264 92 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.264 92 G C -0.198 174.711 174.900 0.016 0.000 0.975 92 G CA 0.188 45.295 45.100 0.010 0.000 0.642 92 G HN 0.627 nan 8.290 nan 0.000 0.536 93 E N -0.150 120.059 120.200 0.016 0.000 2.312 93 E HA 0.603 4.953 4.350 -0.000 0.000 0.267 93 E C -0.086 176.535 176.600 0.035 0.000 0.894 93 E CA -0.230 56.185 56.400 0.024 0.000 0.773 93 E CB 1.829 31.535 29.700 0.009 0.000 1.241 93 E HN 0.397 nan 8.360 nan 0.000 0.432 94 S N 0.264 116.000 115.700 0.059 0.000 2.608 94 S HA 0.405 4.875 4.470 -0.000 0.000 0.291 94 S C 0.102 174.748 174.600 0.076 0.000 1.146 94 S CA -0.832 57.412 58.200 0.074 0.000 1.043 94 S CB 1.490 64.747 63.200 0.096 0.000 1.037 94 S HN 0.354 nan 8.310 nan 0.000 0.520 95 T N 2.400 117.001 114.554 0.078 0.000 2.940 95 T HA 0.380 4.730 4.350 -0.000 0.000 0.309 95 T C 1.090 175.853 174.700 0.106 0.000 1.056 95 T CA 0.405 62.551 62.100 0.076 0.000 1.137 95 T CB -0.031 68.890 68.868 0.088 0.000 0.976 95 T HN 0.939 nan 8.240 nan 0.000 0.547 96 G N 1.271 110.112 108.800 0.069 0.000 2.562 96 G HA2 0.387 4.347 3.960 -0.000 0.000 0.233 96 G HA3 0.387 4.347 3.960 -0.000 0.000 0.233 96 G C -0.604 174.384 174.900 0.147 0.000 1.266 96 G CA -0.407 44.736 45.100 0.071 0.000 0.852 96 G HN 0.650 nan 8.290 nan 0.000 0.581 97 V N 0.523 120.547 119.914 0.184 0.000 2.876 97 V HA 0.806 4.926 4.120 -0.000 0.000 0.312 97 V C 0.182 176.366 176.094 0.150 0.000 1.085 97 V CA -0.458 61.958 62.300 0.194 0.000 0.945 97 V CB 1.882 33.804 31.823 0.165 0.000 1.017 97 V HN 1.263 nan 8.190 nan 0.000 0.428 98 A N 4.180 127.095 122.820 0.159 0.000 2.393 98 A HA 0.891 5.211 4.320 -0.000 0.000 0.306 98 A C -1.308 176.331 177.584 0.091 0.000 1.050 98 A CA -0.513 51.579 52.037 0.091 0.000 0.724 98 A CB 1.262 20.303 19.000 0.068 0.000 1.248 98 A HN 0.756 nan 8.150 nan 0.000 0.424 99 L N 3.285 124.502 121.223 -0.009 0.000 2.280 99 L HA 0.572 4.912 4.340 -0.000 0.000 0.287 99 L C -0.851 175.913 176.870 -0.178 0.000 1.023 99 L CA -0.175 54.623 54.840 -0.070 0.000 0.819 99 L CB 1.079 43.044 42.059 -0.156 0.000 1.212 99 L HN 0.576 nan 8.230 nan 0.000 0.420 100 I N 2.846 123.352 120.570 -0.106 0.000 2.498 100 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 100 I C -0.915 175.245 176.117 0.073 0.000 1.032 100 I CA -0.494 60.752 61.300 -0.089 0.000 1.073 100 I CB 2.236 40.247 38.000 0.019 0.000 1.251 100 I HN 0.277 nan 8.210 nan 0.000 0.426 101 F N 5.144 125.152 119.950 0.096 0.000 2.443 101 F HA 0.577 5.104 4.527 -0.000 0.000 0.335 101 F C 0.049 176.029 175.800 0.299 0.000 1.104 101 F CA -1.251 56.863 58.000 0.189 0.000 1.013 101 F CB 1.882 40.989 39.000 0.179 0.000 1.136 101 F HN -0.056 nan 8.300 nan 0.000 0.470 102 V N 4.163 124.368 119.914 0.485 0.000 2.409 102 V HA 0.277 4.397 4.120 -0.000 0.000 0.290 102 V C -0.396 175.813 176.094 0.192 0.000 1.017 102 V CA -1.097 61.407 62.300 0.340 0.000 0.841 102 V CB 1.427 33.369 31.823 0.199 0.000 1.003 102 V HN 0.783 nan 8.190 nan 0.000 0.426 103 N N 3.772 122.480 118.700 0.014 0.000 2.379 103 N HA 0.299 5.039 4.740 -0.000 0.000 0.260 103 N C 1.456 176.887 175.510 -0.131 0.000 1.254 103 N CA 0.150 53.044 53.050 -0.261 0.000 0.958 103 N CB 0.699 38.727 38.487 -0.766 0.000 1.208 103 N HN 0.468 nan 8.380 nan 0.000 0.532 104 G N -0.164 108.554 108.800 -0.137 0.000 2.513 104 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.219 104 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.219 104 G C 0.855 175.716 174.900 -0.064 0.000 1.160 104 G CA 0.861 45.914 45.100 -0.079 0.000 0.767 104 G HN 0.795 nan 8.290 nan 0.000 0.571 105 E N 0.181 120.329 120.200 -0.086 0.000 2.472 105 E HA 0.199 4.549 4.350 -0.000 0.000 0.200 105 E C 1.887 178.471 176.600 -0.026 0.000 1.046 105 E CA 0.258 56.626 56.400 -0.054 0.000 0.871 105 E CB -0.155 29.507 29.700 -0.063 0.000 0.806 105 E HN 0.548 nan 8.360 nan 0.000 0.533 106 G N 1.438 110.226 108.800 -0.019 0.000 2.176 106 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.232 106 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.232 106 G C -0.030 174.907 174.900 0.061 0.000 0.986 106 G CA -0.012 45.100 45.100 0.020 0.000 0.643 106 G HN 0.306 nan 8.290 nan 0.000 0.522 107 E N 1.167 121.409 120.200 0.070 0.000 2.392 107 E HA 0.467 4.817 4.350 -0.000 0.000 0.256 107 E C 0.319 177.129 176.600 0.351 0.000 1.145 107 E CA 0.120 56.628 56.400 0.179 0.000 0.929 107 E CB 0.520 30.336 29.700 0.194 0.000 0.998 107 E HN 0.607 nan 8.360 nan 0.000 0.442 108 N N -0.772 118.144 118.700 0.361 0.000 2.396 108 N HA 0.345 5.085 4.740 -0.000 0.000 0.275 108 N C -1.272 174.286 175.510 0.080 0.000 1.218 108 N CA -0.704 52.536 53.050 0.317 0.000 0.812 108 N CB 1.697 40.292 38.487 0.180 0.000 1.592 108 N HN 0.259 nan 8.380 nan 0.000 0.480 109 V N -1.473 118.381 119.914 -0.099 0.000 2.628 109 V HA 0.769 4.889 4.120 -0.000 0.000 0.306 109 V C -0.391 175.604 176.094 -0.165 0.000 1.045 109 V CA -0.688 61.469 62.300 -0.238 0.000 0.905 109 V CB 1.181 32.716 31.823 -0.480 0.000 0.997 109 V HN 0.687 nan 8.190 nan 0.000 0.436 110 I N 3.563 124.051 120.570 -0.137 0.000 2.533 110 I HA 0.764 4.934 4.170 -0.000 0.000 0.290 110 I C 0.325 176.376 176.117 -0.110 0.000 1.056 110 I CA -0.595 60.637 61.300 -0.114 0.000 1.057 110 I CB 2.325 40.294 38.000 -0.051 0.000 1.240 110 I HN 0.927 nan 8.210 nan 0.000 0.423 111 G N 7.009 115.737 108.800 -0.119 0.000 2.609 111 G HA2 0.753 4.713 3.960 -0.000 0.000 0.308 111 G HA3 0.753 4.713 3.960 -0.000 0.000 0.308 111 G C -0.868 174.007 174.900 -0.040 0.000 1.369 111 G CA -0.472 44.577 45.100 -0.086 0.000 0.958 111 G HN 0.649 nan 8.290 nan 0.000 0.499 112 I N -0.384 120.182 120.570 -0.007 0.000 2.797 112 I HA 0.756 4.926 4.170 -0.000 0.000 0.307 112 I C -1.047 175.113 176.117 0.073 0.000 1.033 112 I CA -1.389 59.929 61.300 0.031 0.000 1.071 112 I CB 2.627 40.640 38.000 0.022 0.000 1.255 112 I HN 0.484 nan 8.210 nan 0.000 0.445 113 H N 3.373 122.437 119.070 -0.009 0.000 2.539 113 H HA 0.674 5.230 4.556 -0.000 0.000 0.332 113 H C 0.299 175.630 175.328 0.004 0.000 1.031 113 H CA -0.055 55.989 56.048 -0.007 0.000 1.206 113 H CB 2.083 31.838 29.762 -0.011 0.000 1.446 113 H HN 0.814 nan 8.280 nan 0.000 0.496 114 A N 4.374 126.958 122.820 -0.392 0.000 1.877 114 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 114 A C 1.900 179.261 177.584 -0.371 0.000 1.186 114 A CA 1.402 53.258 52.037 -0.301 0.000 0.620 114 A CB -1.314 17.565 19.000 -0.202 0.000 0.822 114 A HN 1.322 nan 8.150 nan 0.000 0.443 115 G N -1.464 106.937 108.800 -0.666 0.000 2.596 115 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.295 115 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.295 115 G C 1.350 176.170 174.900 -0.133 0.000 1.240 115 G CA 1.716 46.630 45.100 -0.310 0.000 0.985 115 G HN 1.614 nan 8.290 nan 0.000 0.555 116 A N -0.323 122.461 122.820 -0.060 0.000 2.076 116 A HA -0.068 4.252 4.320 -0.000 0.000 0.220 116 A C 2.157 179.705 177.584 -0.060 0.000 1.160 116 A CA 2.217 54.227 52.037 -0.045 0.000 0.653 116 A CB -0.495 18.489 19.000 -0.026 0.000 0.801 116 A HN 0.659 nan 8.150 nan 0.000 0.455 117 N N 0.548 119.207 118.700 -0.068 0.000 2.289 117 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 117 N C 1.711 177.182 175.510 -0.064 0.000 1.016 117 N CA 1.278 54.290 53.050 -0.063 0.000 0.872 117 N CB -0.364 38.093 38.487 -0.050 0.000 0.973 117 N HN 0.518 nan 8.380 nan 0.000 0.433 118 A N 0.563 123.338 122.820 -0.075 0.000 2.119 118 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 118 A C 2.093 179.647 177.584 -0.050 0.000 1.153 118 A CA 1.217 53.216 52.037 -0.063 0.000 0.692 118 A CB -0.200 18.756 19.000 -0.073 0.000 0.799 118 A HN 0.280 nan 8.150 nan 0.000 0.458 119 A N -0.927 121.862 122.820 -0.051 0.000 2.251 119 A HA 0.362 4.682 4.320 -0.000 0.000 0.209 119 A C 0.965 178.521 177.584 -0.047 0.000 1.187 119 A CA -0.163 51.848 52.037 -0.044 0.000 0.823 119 A CB -0.318 18.658 19.000 -0.040 0.000 0.846 119 A HN 0.479 nan 8.150 nan 0.000 0.486 120 L N 2.686 123.876 121.223 -0.055 0.000 2.462 120 L HA 0.168 4.508 4.340 -0.000 0.000 0.283 120 L C 0.457 177.301 176.870 -0.045 0.000 1.166 120 L CA -0.429 54.375 54.840 -0.061 0.000 0.964 120 L CB 0.021 42.035 42.059 -0.074 0.000 1.294 120 L HN 0.466 nan 8.230 nan 0.000 0.449 121 S N 3.237 118.913 115.700 -0.039 0.000 2.730 121 S HA 0.507 4.977 4.470 -0.000 0.000 0.284 121 S C -1.913 172.672 174.600 -0.025 0.000 1.153 121 S CA -1.319 56.863 58.200 -0.029 0.000 0.995 121 S CB 1.271 64.456 63.200 -0.026 0.000 1.058 121 S HN 0.340 nan 8.310 nan 0.000 0.552 122 P HA -0.027 nan 4.420 nan 0.000 0.218 122 P C 1.488 178.779 177.300 -0.015 0.000 1.148 122 P CA 1.799 64.890 63.100 -0.015 0.000 0.822 122 P CB -0.202 31.492 31.700 -0.011 0.000 0.784 123 A N -0.516 122.294 122.820 -0.016 0.000 1.877 123 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 123 A C 2.160 179.732 177.584 -0.020 0.000 1.186 123 A CA 1.416 53.443 52.037 -0.016 0.000 0.620 123 A CB -1.633 17.357 19.000 -0.016 0.000 0.822 123 A HN 0.113 nan 8.150 nan 0.000 0.443 124 L N -0.455 120.752 121.223 -0.026 0.000 2.131 124 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 124 L C 2.475 179.327 176.870 -0.031 0.000 1.092 124 L CA 0.828 55.648 54.840 -0.033 0.000 0.759 124 L CB -0.522 41.510 42.059 -0.046 0.000 0.903 124 L HN 0.254 nan 8.230 nan 0.000 0.435 125 V N -0.495 119.403 119.914 -0.026 0.000 2.307 125 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 125 V C 2.488 178.574 176.094 -0.013 0.000 1.045 125 V CA 1.476 63.764 62.300 -0.020 0.000 1.024 125 V CB -0.419 31.396 31.823 -0.014 0.000 0.651 125 V HN 0.408 nan 8.190 nan 0.000 0.449 126 E N 0.625 120.818 120.200 -0.012 0.000 2.160 126 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 126 E C 2.286 178.880 176.600 -0.009 0.000 0.991 126 E CA 1.491 57.887 56.400 -0.008 0.000 0.810 126 E CB -0.520 29.176 29.700 -0.007 0.000 0.742 126 E HN 0.586 nan 8.360 nan 0.000 0.466 127 A N 0.948 123.760 122.820 -0.014 0.000 2.121 127 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 127 A C 1.755 179.331 177.584 -0.014 0.000 1.154 127 A CA 0.959 52.987 52.037 -0.014 0.000 0.679 127 A CB -0.003 18.986 19.000 -0.019 0.000 0.795 127 A HN 0.029 nan 8.150 nan 0.000 0.458 128 Q N -0.930 118.862 119.800 -0.014 0.000 2.220 128 Q HA 0.123 4.463 4.340 -0.000 0.000 0.205 128 Q C 1.527 177.524 176.000 -0.005 0.000 0.865 128 Q CA 0.030 55.827 55.803 -0.011 0.000 0.960 128 Q CB 0.041 28.770 28.738 -0.014 0.000 1.097 128 Q HN 0.811 nan 8.270 nan 0.000 0.493 129 R N 1.562 122.060 120.500 -0.004 0.000 2.112 129 R HA -0.232 4.107 4.340 -0.000 0.000 0.242 129 R C 1.813 178.113 176.300 0.000 0.000 1.137 129 R CA 2.112 58.211 56.100 -0.000 0.000 0.944 129 R CB 0.067 30.367 30.300 -0.001 0.000 0.857 129 R HN 0.279 nan 8.270 nan 0.000 0.435 130 E N -0.065 120.134 120.200 -0.001 0.000 2.106 130 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 130 E C 2.201 178.801 176.600 -0.000 0.000 0.984 130 E CA 0.972 57.371 56.400 -0.001 0.000 0.806 130 E CB -0.048 29.651 29.700 -0.002 0.000 0.750 130 E HN 0.320 nan 8.360 nan 0.000 0.458 131 R N 0.433 120.934 120.500 0.001 0.000 2.081 131 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 131 R C 2.321 178.625 176.300 0.006 0.000 1.131 131 R CA 1.480 57.582 56.100 0.004 0.000 0.960 131 R CB -0.195 30.107 30.300 0.004 0.000 0.856 131 R HN 0.252 nan 8.270 nan 0.000 0.436 132 I N 0.568 121.142 120.570 0.007 0.000 2.252 132 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 132 I C 2.543 178.665 176.117 0.008 0.000 1.102 132 I CA 1.130 62.437 61.300 0.010 0.000 1.385 132 I CB -0.372 37.635 38.000 0.012 0.000 1.064 132 I HN 0.270 nan 8.210 nan 0.000 0.414 133 A N 0.891 123.713 122.820 0.004 0.000 1.972 133 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 133 A C 1.947 179.529 177.584 -0.003 0.000 1.169 133 A CA 1.639 53.676 52.037 -0.000 0.000 0.635 133 A CB -0.518 18.480 19.000 -0.003 0.000 0.810 133 A HN 0.424 nan 8.150 nan 0.000 0.446 134 N N 0.103 118.803 118.700 -0.001 0.000 2.422 134 N HA 0.148 4.888 4.740 -0.000 0.000 0.181 134 N C 0.671 176.180 175.510 -0.002 0.000 1.080 134 N CA 0.768 53.817 53.050 -0.003 0.000 0.893 134 N CB -0.253 38.233 38.487 -0.002 0.000 0.973 134 N HN 0.470 nan 8.380 nan 0.000 0.456 135 A N 0.140 122.961 122.820 0.001 0.000 2.386 135 A HA 0.321 4.641 4.320 -0.000 0.000 0.248 135 A C 1.228 178.811 177.584 -0.001 0.000 1.082 135 A CA -0.225 51.813 52.037 0.002 0.000 0.789 135 A CB 0.472 19.477 19.000 0.008 0.000 1.025 135 A HN 0.143 nan 8.150 nan 0.000 0.490 136 S N 0.070 115.768 115.700 -0.004 0.000 2.446 136 S HA 0.360 4.830 4.470 -0.000 0.000 0.225 136 S C 0.753 175.351 174.600 -0.004 0.000 1.016 136 S CA 0.945 59.141 58.200 -0.007 0.000 0.943 136 S CB -0.105 63.087 63.200 -0.013 0.000 0.786 136 S HN 1.331 nan 8.310 nan 0.000 0.508 137 A N 0.535 123.355 122.820 -0.001 0.000 2.594 137 A HA 0.729 5.049 4.320 -0.000 0.000 0.295 137 A C -1.927 175.663 177.584 0.011 0.000 1.071 137 A CA -0.655 51.384 52.037 0.004 0.000 0.685 137 A CB 1.222 20.219 19.000 -0.004 0.000 1.285 137 A HN 0.201 nan 8.150 nan 0.000 0.405 138 L N 1.554 122.788 121.223 0.018 0.000 2.376 138 L HA 0.813 5.153 4.340 -0.000 0.000 0.275 138 L C -1.648 175.238 176.870 0.027 0.000 0.987 138 L CA -0.606 54.250 54.840 0.026 0.000 0.828 138 L CB 1.501 43.578 42.059 0.030 0.000 1.249 138 L HN 0.732 nan 8.230 nan 0.000 0.409 139 L N 6.132 127.374 121.223 0.031 0.000 2.305 139 L HA 0.760 5.100 4.340 -0.000 0.000 0.284 139 L C -1.022 175.875 176.870 0.046 0.000 1.013 139 L CA -0.023 54.834 54.840 0.028 0.000 0.819 139 L CB 1.308 43.373 42.059 0.010 0.000 1.227 139 L HN 0.766 nan 8.230 nan 0.000 0.417 140 M N 3.491 123.117 119.600 0.042 0.000 2.631 140 M HA 0.580 5.060 4.480 -0.000 0.000 0.288 140 M C -0.973 175.353 176.300 0.043 0.000 1.260 140 M CA -0.736 54.594 55.300 0.050 0.000 0.842 140 M CB 2.480 35.104 32.600 0.041 0.000 1.743 140 M HN 0.531 nan 8.290 nan 0.000 0.461 141 Q N 0.233 120.060 119.800 0.045 0.000 3.146 141 Q HA 0.637 4.977 4.340 -0.000 0.000 0.318 141 Q C -0.615 175.402 176.000 0.028 0.000 0.992 141 Q CA -0.782 55.044 55.803 0.037 0.000 0.809 141 Q CB 1.117 29.880 28.738 0.041 0.000 1.490 141 Q HN 0.662 nan 8.270 nan 0.000 0.493 142 L N 0.970 122.206 121.223 0.022 0.000 3.062 142 L HA 0.362 4.702 4.340 -0.000 0.000 0.255 142 L C 0.094 176.970 176.870 0.010 0.000 1.274 142 L CA 0.203 55.051 54.840 0.013 0.000 1.047 142 L CB 0.203 42.267 42.059 0.008 0.000 1.402 142 L HN 0.600 nan 8.230 nan 0.000 0.550 143 E N -0.313 119.897 120.200 0.016 0.000 2.465 143 E HA 0.179 4.529 4.350 -0.000 0.000 0.195 143 E C 0.035 176.636 176.600 0.002 0.000 1.028 143 E CA -0.124 56.282 56.400 0.010 0.000 0.899 143 E CB 0.791 30.504 29.700 0.021 0.000 1.032 143 E HN 0.239 nan 8.360 nan 0.000 0.468 144 S N 1.270 116.971 115.700 0.002 0.000 2.600 144 S HA 0.426 4.896 4.470 -0.000 0.000 0.300 144 S C -2.559 172.033 174.600 -0.013 0.000 1.087 144 S CA -1.400 56.794 58.200 -0.010 0.000 0.965 144 S CB 1.627 64.824 63.200 -0.006 0.000 1.089 144 S HN -0.092 nan 8.310 nan 0.000 0.496 145 P HA 0.067 nan 4.420 nan 0.000 0.262 145 P C 0.704 177.997 177.300 -0.012 0.000 1.182 145 P CA -0.212 62.877 63.100 -0.018 0.000 0.761 145 P CB 0.357 32.043 31.700 -0.022 0.000 0.795 146 L N 4.587 125.804 121.223 -0.010 0.000 2.042 146 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 146 L C 1.680 178.546 176.870 -0.008 0.000 1.076 146 L CA 2.061 56.897 54.840 -0.007 0.000 0.749 146 L CB -0.910 41.144 42.059 -0.007 0.000 0.893 146 L HN 0.311 nan 8.230 nan 0.000 0.432 147 E N -0.880 119.315 120.200 -0.010 0.000 2.160 147 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 147 E C 2.193 178.788 176.600 -0.009 0.000 0.991 147 E CA 1.470 57.864 56.400 -0.009 0.000 0.810 147 E CB -0.429 29.265 29.700 -0.010 0.000 0.742 147 E HN 0.453 nan 8.360 nan 0.000 0.466 148 S N -0.133 115.561 115.700 -0.011 0.000 2.377 148 S HA -0.063 4.407 4.470 -0.000 0.000 0.223 148 S C 2.098 176.695 174.600 -0.006 0.000 1.030 148 S CA 0.767 58.960 58.200 -0.011 0.000 0.970 148 S CB -0.112 63.077 63.200 -0.018 0.000 0.830 148 S HN 0.069 nan 8.310 nan 0.000 0.473 149 V N 1.888 121.800 119.914 -0.003 0.000 2.407 149 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 149 V C 2.317 178.412 176.094 0.003 0.000 1.055 149 V CA 1.928 64.230 62.300 0.003 0.000 1.049 149 V CB -0.601 31.224 31.823 0.004 0.000 0.662 149 V HN 0.431 nan 8.190 nan 0.000 0.455 150 M N 1.027 120.626 119.600 -0.002 0.000 2.086 150 M HA -0.063 4.417 4.480 -0.000 0.000 0.261 150 M C 2.096 178.397 176.300 0.000 0.000 1.067 150 M CA 2.271 57.569 55.300 -0.004 0.000 1.116 150 M CB -0.724 31.872 32.600 -0.007 0.000 1.348 150 M HN 0.229 nan 8.290 nan 0.000 0.407 151 A N -0.161 122.660 122.820 0.001 0.000 1.908 151 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 151 A C 2.373 179.964 177.584 0.010 0.000 1.181 151 A CA 2.190 54.230 52.037 0.004 0.000 0.627 151 A CB -1.491 17.508 19.000 -0.000 0.000 0.818 151 A HN 0.672 nan 8.150 nan 0.000 0.445 152 A N -0.275 122.551 122.820 0.009 0.000 1.898 152 A HA 0.207 4.527 4.320 -0.000 0.000 0.216 152 A C 2.504 180.103 177.584 0.026 0.000 1.181 152 A CA 1.960 54.006 52.037 0.015 0.000 0.620 152 A CB -0.995 18.013 19.000 0.013 0.000 0.819 152 A HN 1.054 nan 8.150 nan 0.000 0.442 153 A N 0.013 122.847 122.820 0.024 0.000 1.902 153 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 153 A C 2.114 179.731 177.584 0.055 0.000 1.181 153 A CA 1.881 53.937 52.037 0.031 0.000 0.623 153 A CB -0.448 18.558 19.000 0.011 0.000 0.818 153 A HN 0.549 nan 8.150 nan 0.000 0.443 154 K N -0.471 119.955 120.400 0.043 0.000 2.057 154 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 154 K C 1.835 178.490 176.600 0.091 0.000 1.049 154 K CA 1.527 57.856 56.287 0.070 0.000 0.931 154 K CB -0.382 32.141 32.500 0.039 0.000 0.714 154 K HN 0.541 nan 8.250 nan 0.000 0.440 155 I N 1.095 121.697 120.570 0.055 0.000 2.179 155 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 155 I C 2.578 178.722 176.117 0.045 0.000 1.088 155 I CA 1.200 62.524 61.300 0.041 0.000 1.357 155 I CB -0.495 37.519 38.000 0.024 0.000 1.051 155 I HN 0.162 nan 8.210 nan 0.000 0.409 156 A N 0.234 123.086 122.820 0.054 0.000 1.883 156 A HA -0.337 3.983 4.320 -0.000 0.000 0.217 156 A C 2.198 179.823 177.584 0.067 0.000 1.186 156 A CA 2.378 54.446 52.037 0.051 0.000 0.624 156 A CB -1.106 17.926 19.000 0.054 0.000 0.822 156 A HN 0.548 nan 8.150 nan 0.000 0.444 157 H N -0.047 119.026 119.070 0.004 0.000 2.290 157 H HA -0.167 4.389 4.556 -0.000 0.000 0.298 157 H C 2.110 177.440 175.328 0.003 0.000 1.087 157 H CA 2.366 58.417 56.048 0.005 0.000 1.291 157 H CB -0.349 29.416 29.762 0.006 0.000 1.369 157 H HN 0.609 nan 8.280 nan 0.000 0.492 158 Q N -0.426 119.355 119.800 -0.033 0.000 2.297 158 Q HA -0.095 4.245 4.340 -0.000 0.000 0.208 158 Q C 0.770 176.715 176.000 -0.092 0.000 0.981 158 Q CA 1.314 57.068 55.803 -0.082 0.000 0.876 158 Q CB 0.157 28.895 28.738 -0.000 0.000 0.921 158 Q HN 0.558 nan 8.270 nan 0.000 0.446 159 N N 0.070 118.731 118.700 -0.064 0.000 2.282 159 N HA 0.115 4.855 4.740 -0.000 0.000 0.240 159 N C -0.829 174.650 175.510 -0.051 0.000 1.182 159 N CA 0.011 53.032 53.050 -0.049 0.000 0.874 159 N CB 0.840 39.314 38.487 -0.021 0.000 1.126 159 N HN 0.102 nan 8.380 nan 0.000 0.516 160 K N 0.194 120.545 120.400 -0.082 0.000 3.069 160 K HA -0.124 4.196 4.320 -0.000 0.000 0.267 160 K C -0.684 175.901 176.600 -0.024 0.000 1.082 160 K CA 0.618 56.869 56.287 -0.061 0.000 0.782 160 K CB -1.719 30.749 32.500 -0.054 0.000 1.230 160 K HN 0.119 nan 8.250 nan 0.000 0.488 161 T N 1.202 115.751 114.554 -0.009 0.000 2.767 161 T HA 0.399 4.749 4.350 -0.000 0.000 0.288 161 T C 0.730 175.443 174.700 0.021 0.000 0.963 161 T CA -0.645 61.459 62.100 0.006 0.000 1.019 161 T CB 0.781 69.656 68.868 0.011 0.000 0.923 161 T HN 0.122 nan 8.240 nan 0.000 0.468 162 I N 3.254 123.834 120.570 0.016 0.000 2.752 162 I HA 0.034 4.204 4.170 -0.000 0.000 0.289 162 I C 0.098 176.234 176.117 0.030 0.000 1.197 162 I CA -0.021 61.294 61.300 0.024 0.000 1.432 162 I CB 0.397 38.404 38.000 0.011 0.000 1.359 162 I HN 0.233 nan 8.210 nan 0.000 0.571 163 V N 6.999 126.938 119.914 0.041 0.000 2.328 163 V HA 0.485 4.605 4.120 -0.000 0.000 0.278 163 V C 0.408 176.521 176.094 0.031 0.000 1.021 163 V CA -0.496 61.828 62.300 0.039 0.000 0.838 163 V CB 1.121 32.973 31.823 0.048 0.000 0.999 163 V HN 0.831 nan 8.190 nan 0.000 0.447 164 A N 5.938 128.773 122.820 0.026 0.000 2.271 164 A HA 0.831 5.151 4.320 -0.000 0.000 0.317 164 A C -0.986 176.614 177.584 0.027 0.000 1.245 164 A CA -0.450 51.602 52.037 0.024 0.000 0.857 164 A CB 0.929 19.937 19.000 0.014 0.000 1.175 164 A HN 0.781 nan 8.150 nan 0.000 0.512 165 L N 3.076 124.317 121.223 0.030 0.000 2.343 165 L HA 0.388 4.728 4.340 -0.000 0.000 0.278 165 L C -0.204 176.687 176.870 0.035 0.000 0.996 165 L CA -0.256 54.602 54.840 0.029 0.000 0.831 165 L CB 1.355 43.428 42.059 0.022 0.000 1.232 165 L HN 0.754 nan 8.230 nan 0.000 0.413 166 N N 6.876 125.599 118.700 0.039 0.000 2.500 166 N HA 0.306 5.046 4.740 -0.000 0.000 0.236 166 N C -2.202 173.327 175.510 0.032 0.000 1.022 166 N CA -1.565 51.512 53.050 0.045 0.000 0.935 166 N CB 1.194 39.712 38.487 0.052 0.000 1.147 166 N HN 0.446 nan 8.380 nan 0.000 0.512 167 P HA 0.081 nan 4.420 nan 0.000 0.237 167 P C -1.174 176.135 177.300 0.014 0.000 1.701 167 P CA 0.091 63.201 63.100 0.016 0.000 0.955 167 P CB -0.244 31.463 31.700 0.012 0.000 1.937 168 A N 1.887 124.717 122.820 0.017 0.000 2.414 168 A HA 0.746 5.066 4.320 -0.000 0.000 0.306 168 A C -2.893 174.699 177.584 0.013 0.000 1.054 168 A CA -2.303 49.742 52.037 0.014 0.000 0.724 168 A CB 1.160 20.171 19.000 0.017 0.000 1.267 168 A HN 0.010 nan 8.150 nan 0.000 0.418 169 P HA 0.313 nan 4.420 nan 0.000 0.270 169 P C 0.012 177.313 177.300 0.001 0.000 1.223 169 P CA 0.098 63.199 63.100 0.003 0.000 0.785 169 P CB 0.585 32.284 31.700 -0.002 0.000 0.923 170 A N 3.100 125.919 122.820 -0.001 0.000 2.540 170 A HA 0.361 4.681 4.320 -0.000 0.000 0.239 170 A C 0.518 178.099 177.584 -0.004 0.000 1.061 170 A CA 0.709 52.745 52.037 -0.002 0.000 0.758 170 A CB -0.606 18.392 19.000 -0.004 0.000 0.991 170 A HN 0.736 nan 8.150 nan 0.000 0.502 171 R N 1.006 121.504 120.500 -0.004 0.000 2.828 171 R HA 0.375 4.715 4.340 -0.000 0.000 0.280 171 R C -1.432 174.866 176.300 -0.005 0.000 1.020 171 R CA -0.857 55.240 56.100 -0.005 0.000 0.855 171 R CB 0.613 30.911 30.300 -0.004 0.000 1.278 171 R HN 0.575 nan 8.270 nan 0.000 0.495 172 E N 1.183 121.379 120.200 -0.006 0.000 2.349 172 E HA 0.393 4.743 4.350 -0.000 0.000 0.265 172 E C -0.582 176.014 176.600 -0.006 0.000 1.064 172 E CA -0.564 55.832 56.400 -0.006 0.000 0.886 172 E CB 1.137 30.833 29.700 -0.006 0.000 1.036 172 E HN 0.268 nan 8.360 nan 0.000 0.413 173 L N 3.099 124.318 121.223 -0.007 0.000 2.381 173 L HA 0.449 4.789 4.340 -0.000 0.000 0.268 173 L C -2.142 174.723 176.870 -0.009 0.000 0.997 173 L CA -2.275 52.561 54.840 -0.007 0.000 0.818 173 L CB 1.842 43.898 42.059 -0.007 0.000 1.310 173 L HN 0.413 nan 8.230 nan 0.000 0.416 174 P HA 0.049 nan 4.420 nan 0.000 0.269 174 P C -0.481 176.811 177.300 -0.013 0.000 1.209 174 P CA -0.247 62.846 63.100 -0.011 0.000 0.776 174 P CB 1.179 32.872 31.700 -0.011 0.000 0.876 175 D N 1.132 121.524 120.400 -0.013 0.000 2.178 175 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 175 D C 1.607 177.893 176.300 -0.023 0.000 0.980 175 D CA 1.213 55.204 54.000 -0.015 0.000 0.842 175 D CB -0.088 40.705 40.800 -0.011 0.000 0.948 175 D HN 0.650 nan 8.370 nan 0.000 0.472 176 E N 0.252 120.437 120.200 -0.024 0.000 2.118 176 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 176 E C 2.050 178.623 176.600 -0.044 0.000 0.992 176 E CA 0.657 57.036 56.400 -0.034 0.000 0.804 176 E CB -0.012 29.672 29.700 -0.026 0.000 0.741 176 E HN 0.128 nan 8.360 nan 0.000 0.458 177 L N 0.641 121.844 121.223 -0.032 0.000 2.049 177 L HA -0.042 4.298 4.340 -0.000 0.000 0.203 177 L C 2.181 179.030 176.870 -0.034 0.000 1.074 177 L CA 1.375 56.196 54.840 -0.032 0.000 0.749 177 L CB -0.491 41.557 42.059 -0.018 0.000 0.907 177 L HN 0.209 nan 8.230 nan 0.000 0.439 178 L N -0.039 121.169 121.223 -0.025 0.000 2.129 178 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 178 L C 2.631 179.485 176.870 -0.027 0.000 1.087 178 L CA 1.230 56.058 54.840 -0.020 0.000 0.757 178 L CB -1.036 41.015 42.059 -0.014 0.000 0.896 178 L HN 0.424 nan 8.230 nan 0.000 0.434 179 A N -0.091 122.702 122.820 -0.044 0.000 2.019 179 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 179 A C 2.125 179.645 177.584 -0.107 0.000 1.164 179 A CA 1.225 53.225 52.037 -0.061 0.000 0.644 179 A CB -0.494 18.462 19.000 -0.073 0.000 0.805 179 A HN 0.441 nan 8.150 nan 0.000 0.449 180 L N -0.247 120.900 121.223 -0.127 0.000 2.558 180 L HA 0.084 4.424 4.340 -0.000 0.000 0.225 180 L C -0.067 176.781 176.870 -0.037 0.000 1.128 180 L CA -0.291 54.449 54.840 -0.167 0.000 0.868 180 L CB 0.002 41.964 42.059 -0.161 0.000 1.006 180 L HN 0.058 nan 8.230 nan 0.000 0.454 181 V N 0.371 120.277 119.914 -0.013 0.000 2.546 181 V HA 0.054 4.174 4.120 -0.000 0.000 0.284 181 V C 0.630 176.746 176.094 0.036 0.000 1.050 181 V CA -0.159 62.151 62.300 0.017 0.000 0.981 181 V CB 1.617 33.447 31.823 0.012 0.000 0.990 181 V HN 0.166 nan 8.190 nan 0.000 0.474 182 D N 2.956 123.383 120.400 0.045 0.000 2.338 182 D HA 0.236 4.875 4.640 -0.000 0.000 0.224 182 D C 0.308 176.637 176.300 0.049 0.000 0.967 182 D CA 1.106 55.137 54.000 0.052 0.000 0.896 182 D CB 0.914 41.743 40.800 0.049 0.000 1.028 182 D HN 0.405 nan 8.370 nan 0.000 0.493 183 I N 1.459 122.053 120.570 0.040 0.000 2.478 183 I HA 0.353 4.523 4.170 -0.000 0.000 0.287 183 I C -0.846 175.294 176.117 0.038 0.000 1.042 183 I CA -0.617 60.707 61.300 0.040 0.000 1.067 183 I CB 3.019 41.038 38.000 0.031 0.000 1.233 183 I HN -0.199 nan 8.210 nan 0.000 0.431 184 I N 5.442 126.034 120.570 0.038 0.000 2.474 184 I HA 0.429 4.599 4.170 -0.000 0.000 0.294 184 I C -0.001 176.147 176.117 0.053 0.000 1.005 184 I CA -0.156 61.165 61.300 0.034 0.000 1.113 184 I CB 2.033 40.042 38.000 0.014 0.000 1.289 184 I HN 0.689 nan 8.210 nan 0.000 0.436 185 T N 4.482 119.075 114.554 0.065 0.000 3.444 185 T HA 0.477 4.827 4.350 -0.000 0.000 0.265 185 T C -2.606 172.130 174.700 0.060 0.000 1.537 185 T CA -1.616 60.540 62.100 0.094 0.000 1.530 185 T CB 0.156 69.121 68.868 0.161 0.000 0.958 185 T HN 0.323 nan 8.240 nan 0.000 0.684 186 P HA 0.262 nan 4.420 nan 0.000 0.276 186 P C -0.417 176.887 177.300 0.006 0.000 1.244 186 P CA -0.387 62.724 63.100 0.018 0.000 0.801 186 P CB 1.088 32.794 31.700 0.010 0.000 1.006 187 N N 0.625 119.323 118.700 -0.004 0.000 2.495 187 N HA 0.073 4.813 4.740 -0.000 0.000 0.294 187 N C 0.987 176.491 175.510 -0.010 0.000 1.276 187 N CA -0.312 52.727 53.050 -0.019 0.000 0.973 187 N CB -0.341 38.134 38.487 -0.021 0.000 1.143 187 N HN 0.343 nan 8.380 nan 0.000 0.589 188 E N -0.975 119.217 120.200 -0.013 0.000 2.051 188 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 188 E C 1.381 177.974 176.600 -0.013 0.000 0.991 188 E CA 1.937 58.329 56.400 -0.013 0.000 0.799 188 E CB -0.342 29.348 29.700 -0.016 0.000 0.748 188 E HN 0.641 nan 8.360 nan 0.000 0.449 189 T N 1.030 115.579 114.554 -0.009 0.000 2.746 189 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 189 T C 1.575 176.270 174.700 -0.008 0.000 1.039 189 T CA 1.375 63.471 62.100 -0.008 0.000 1.142 189 T CB -0.188 68.677 68.868 -0.004 0.000 0.866 189 T HN 0.219 nan 8.240 nan 0.000 0.444 190 E N 1.034 121.230 120.200 -0.006 0.000 2.107 190 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 190 E C 2.527 179.123 176.600 -0.007 0.000 0.982 190 E CA 0.806 57.203 56.400 -0.004 0.000 0.809 190 E CB -0.187 29.513 29.700 0.000 0.000 0.756 190 E HN 0.466 nan 8.360 nan 0.000 0.459 191 A N 1.606 124.421 122.820 -0.008 0.000 1.873 191 A HA -0.260 4.060 4.320 -0.000 0.000 0.215 191 A C 2.123 179.697 177.584 -0.017 0.000 1.186 191 A CA 1.648 53.678 52.037 -0.012 0.000 0.616 191 A CB -0.471 18.522 19.000 -0.012 0.000 0.823 191 A HN 0.274 nan 8.150 nan 0.000 0.442 192 E N -0.399 119.790 120.200 -0.018 0.000 2.110 192 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 192 E C 1.940 178.531 176.600 -0.015 0.000 0.988 192 E CA 1.619 58.008 56.400 -0.019 0.000 0.804 192 E CB -0.078 29.611 29.700 -0.019 0.000 0.745 192 E HN 0.391 nan 8.360 nan 0.000 0.458 193 K N 0.450 120.843 120.400 -0.012 0.000 2.211 193 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 193 K C 1.895 178.489 176.600 -0.010 0.000 1.050 193 K CA 0.890 57.171 56.287 -0.010 0.000 0.945 193 K CB -0.060 32.436 32.500 -0.008 0.000 0.732 193 K HN 0.213 nan 8.250 nan 0.000 0.451 194 L N -0.484 120.733 121.223 -0.011 0.000 2.307 194 L HA 0.029 4.369 4.340 -0.000 0.000 0.211 194 L C 1.748 178.611 176.870 -0.013 0.000 1.099 194 L CA 1.368 56.202 54.840 -0.011 0.000 0.816 194 L CB -0.132 41.920 42.059 -0.012 0.000 0.952 194 L HN 0.322 nan 8.230 nan 0.000 0.455 195 T N -5.355 109.190 114.554 -0.015 0.000 2.985 195 T HA 0.259 4.609 4.350 -0.000 0.000 0.254 195 T C 1.422 176.112 174.700 -0.015 0.000 1.021 195 T CA 0.483 62.574 62.100 -0.016 0.000 0.957 195 T CB 0.936 69.792 68.868 -0.021 0.000 1.047 195 T HN 0.318 nan 8.240 nan 0.000 0.511 196 G N 1.700 110.491 108.800 -0.015 0.000 2.162 196 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 196 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 196 G C -0.029 174.860 174.900 -0.018 0.000 0.976 196 G CA 0.309 45.401 45.100 -0.014 0.000 0.655 196 G HN 0.675 nan 8.290 nan 0.000 0.533 197 I N 0.872 121.429 120.570 -0.023 0.000 2.362 197 I HA 0.366 4.536 4.170 -0.000 0.000 0.289 197 I C 0.825 176.922 176.117 -0.034 0.000 0.994 197 I CA -0.924 60.358 61.300 -0.030 0.000 1.158 197 I CB 1.315 39.293 38.000 -0.037 0.000 1.315 197 I HN -0.038 nan 8.210 nan 0.000 0.451 198 R N 4.649 125.128 120.500 -0.034 0.000 2.401 198 R HA 0.302 4.642 4.340 -0.000 0.000 0.299 198 R C -0.783 175.488 176.300 -0.049 0.000 1.064 198 R CA -0.328 55.751 56.100 -0.034 0.000 1.000 198 R CB 1.022 31.305 30.300 -0.029 0.000 0.973 198 R HN 0.362 nan 8.270 nan 0.000 0.438 199 V N 4.486 124.370 119.914 -0.050 0.000 2.334 199 V HA 0.079 4.199 4.120 -0.000 0.000 0.267 199 V C 0.700 176.758 176.094 -0.060 0.000 1.040 199 V CA 0.105 62.363 62.300 -0.070 0.000 0.866 199 V CB 1.078 32.861 31.823 -0.067 0.000 1.019 199 V HN 0.874 nan 8.190 nan 0.000 0.468 200 E N 3.190 123.348 120.200 -0.069 0.000 2.332 200 E HA 0.126 4.476 4.350 -0.000 0.000 0.202 200 E C 0.159 176.722 176.600 -0.063 0.000 0.877 200 E CA 0.249 56.617 56.400 -0.054 0.000 0.979 200 E CB 0.666 30.339 29.700 -0.045 0.000 0.969 200 E HN 0.899 nan 8.360 nan 0.000 0.495 201 N N -0.652 117.991 118.700 -0.094 0.000 2.831 201 N HA 0.094 4.834 4.740 -0.000 0.000 0.276 201 N C -0.342 175.050 175.510 -0.196 0.000 1.416 201 N CA -0.555 52.431 53.050 -0.106 0.000 0.799 201 N CB 0.453 38.888 38.487 -0.086 0.000 1.554 201 N HN -0.363 nan 8.380 nan 0.000 0.541 202 D N -0.311 119.958 120.400 -0.218 0.000 2.311 202 D HA -0.118 4.522 4.640 -0.000 0.000 0.212 202 D C 0.743 176.684 176.300 -0.599 0.000 0.972 202 D CA 1.115 54.834 54.000 -0.468 0.000 0.887 202 D CB 0.050 40.691 40.800 -0.265 0.000 0.915 202 D HN 0.636 nan 8.370 nan 0.000 0.497 203 E N 0.370 120.374 120.200 -0.327 0.000 2.046 203 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 203 E C 1.503 177.941 176.600 -0.271 0.000 0.982 203 E CA 0.659 56.904 56.400 -0.258 0.000 0.800 203 E CB 0.100 29.714 29.700 -0.143 0.000 0.756 203 E HN 0.244 nan 8.360 nan 0.000 0.449 204 D N 1.074 121.335 120.400 -0.231 0.000 2.092 204 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 204 D C 2.028 178.173 176.300 -0.258 0.000 0.994 204 D CA 1.382 55.267 54.000 -0.191 0.000 0.828 204 D CB -0.363 40.353 40.800 -0.139 0.000 0.963 204 D HN 0.122 nan 8.370 nan 0.000 0.450 205 A N 1.592 124.185 122.820 -0.379 0.000 1.896 205 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 205 A C 2.400 179.682 177.584 -0.504 0.000 1.206 205 A CA 3.236 54.992 52.037 -0.468 0.000 0.647 205 A CB -1.025 17.551 19.000 -0.707 0.000 0.828 205 A HN 0.292 nan 8.150 nan 0.000 0.455 206 A N -0.646 121.735 122.820 -0.731 0.000 1.908 206 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 206 A C 2.158 179.708 177.584 -0.057 0.000 1.181 206 A CA 2.228 54.114 52.037 -0.252 0.000 0.627 206 A CB -0.490 18.394 19.000 -0.194 0.000 0.818 206 A HN 0.627 nan 8.150 nan 0.000 0.445 207 K N -0.412 119.920 120.400 -0.112 0.000 2.057 207 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 207 K C 2.121 178.702 176.600 -0.033 0.000 1.050 207 K CA 1.189 57.447 56.287 -0.049 0.000 0.935 207 K CB -0.320 32.141 32.500 -0.065 0.000 0.715 207 K HN 0.360 nan 8.250 nan 0.000 0.439 208 A N 0.997 123.780 122.820 -0.062 0.000 1.898 208 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 208 A C 2.311 179.874 177.584 -0.034 0.000 1.181 208 A CA 1.686 53.696 52.037 -0.045 0.000 0.620 208 A CB -0.730 18.237 19.000 -0.055 0.000 0.819 208 A HN 0.471 nan 8.150 nan 0.000 0.442 209 A N -0.859 121.953 122.820 -0.013 0.000 1.933 209 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 209 A C 2.176 179.708 177.584 -0.086 0.000 1.175 209 A CA 1.744 53.749 52.037 -0.054 0.000 0.628 209 A CB -0.552 18.538 19.000 0.149 0.000 0.814 209 A HN 0.654 nan 8.150 nan 0.000 0.444 210 Q N -0.234 119.631 119.800 0.109 0.000 2.124 210 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 210 Q C 1.956 178.016 176.000 0.099 0.000 0.977 210 Q CA 1.833 57.753 55.803 0.195 0.000 0.850 210 Q CB -0.211 28.610 28.738 0.138 0.000 0.901 210 Q HN 0.433 nan 8.270 nan 0.000 0.429 211 V N 1.056 120.988 119.914 0.031 0.000 2.287 211 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 211 V C 2.288 178.382 176.094 0.000 0.000 1.053 211 V CA 1.639 63.947 62.300 0.014 0.000 1.027 211 V CB -0.504 31.317 31.823 -0.004 0.000 0.646 211 V HN 0.405 nan 8.190 nan 0.000 0.447 212 L N -1.152 120.038 121.223 -0.054 0.000 2.093 212 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 212 L C 2.655 179.496 176.870 -0.048 0.000 1.085 212 L CA 1.205 55.997 54.840 -0.079 0.000 0.755 212 L CB -0.849 41.127 42.059 -0.139 0.000 0.904 212 L HN 0.412 nan 8.230 nan 0.000 0.435 213 H N -0.007 119.086 119.070 0.039 0.000 2.353 213 H HA -0.107 4.449 4.556 -0.000 0.000 0.300 213 H C 2.122 177.465 175.328 0.026 0.000 1.090 213 H CA 1.084 57.153 56.048 0.036 0.000 1.327 213 H CB 0.076 29.865 29.762 0.044 0.000 1.383 213 H HN 0.293 nan 8.280 nan 0.000 0.508 214 E N 0.792 121.079 120.200 0.145 0.000 2.268 214 E HA -0.084 4.266 4.350 -0.000 0.000 0.195 214 E C 1.710 178.341 176.600 0.052 0.000 0.995 214 E CA 0.358 56.807 56.400 0.083 0.000 0.836 214 E CB 0.173 29.911 29.700 0.062 0.000 0.763 214 E HN 0.309 nan 8.360 nan 0.000 0.491 215 K N -0.531 119.893 120.400 0.041 0.000 2.487 215 K HA 0.043 4.363 4.320 -0.000 0.000 0.192 215 K C 1.132 177.746 176.600 0.022 0.000 1.027 215 K CA 0.687 56.986 56.287 0.020 0.000 1.054 215 K CB 0.660 33.164 32.500 0.006 0.000 0.824 215 K HN 0.247 nan 8.250 nan 0.000 0.510 216 G N 1.350 110.177 108.800 0.046 0.000 2.168 216 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.197 216 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.197 216 G C 0.052 174.989 174.900 0.061 0.000 0.997 216 G CA -0.437 44.691 45.100 0.046 0.000 0.658 216 G HN 0.225 nan 8.290 nan 0.000 0.513 217 I N 1.222 121.838 120.570 0.076 0.000 2.297 217 I HA 0.318 4.488 4.170 -0.000 0.000 0.291 217 I C 1.606 177.841 176.117 0.196 0.000 1.033 217 I CA -0.689 60.662 61.300 0.084 0.000 1.253 217 I CB 1.296 39.312 38.000 0.026 0.000 1.396 217 I HN 0.170 nan 8.210 nan 0.000 0.476 218 R N 3.493 124.093 120.500 0.166 0.000 2.066 218 R HA -0.027 4.313 4.340 -0.000 0.000 0.232 218 R C 0.200 176.647 176.300 0.246 0.000 1.131 218 R CA 1.147 57.360 56.100 0.187 0.000 0.955 218 R CB 0.245 30.597 30.300 0.087 0.000 0.851 218 R HN 0.560 nan 8.270 nan 0.000 0.432 219 T N 1.271 115.924 114.554 0.165 0.000 2.772 219 T HA 0.397 4.747 4.350 -0.000 0.000 0.288 219 T C -1.154 173.609 174.700 0.104 0.000 0.994 219 T CA -0.541 61.648 62.100 0.147 0.000 0.951 219 T CB 1.945 70.859 68.868 0.076 0.000 0.933 219 T HN -0.138 nan 8.240 nan 0.000 0.447 220 V N 5.721 125.698 119.914 0.105 0.000 2.409 220 V HA 0.494 4.614 4.120 -0.000 0.000 0.291 220 V C -0.413 175.725 176.094 0.072 0.000 1.020 220 V CA -0.818 61.492 62.300 0.016 0.000 0.848 220 V CB 1.440 33.166 31.823 -0.162 0.000 0.990 220 V HN 0.744 nan 8.190 nan 0.000 0.430 221 L N 6.362 127.635 121.223 0.084 0.000 2.345 221 L HA 0.588 4.928 4.340 -0.000 0.000 0.274 221 L C -0.610 176.324 176.870 0.106 0.000 0.999 221 L CA -0.296 54.611 54.840 0.112 0.000 0.849 221 L CB 1.632 43.788 42.059 0.163 0.000 1.220 221 L HN 0.487 nan 8.230 nan 0.000 0.422 222 I N 2.950 123.601 120.570 0.135 0.000 2.291 222 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 222 I C 0.804 176.952 176.117 0.052 0.000 1.050 222 I CA -0.347 61.012 61.300 0.098 0.000 1.245 222 I CB 1.491 39.573 38.000 0.137 0.000 1.405 222 I HN 0.585 nan 8.210 nan 0.000 0.478 223 T N 4.666 119.190 114.554 -0.049 0.000 2.901 223 T HA 0.352 4.702 4.350 -0.000 0.000 0.301 223 T C 0.364 175.028 174.700 -0.060 0.000 1.012 223 T CA -0.431 61.583 62.100 -0.143 0.000 1.135 223 T CB 1.023 69.718 68.868 -0.289 0.000 0.936 223 T HN 0.479 nan 8.240 nan 0.000 0.539 224 L N 2.638 123.835 121.223 -0.044 0.000 3.141 224 L HA 0.434 4.774 4.340 -0.000 0.000 0.267 224 L C 1.661 178.511 176.870 -0.033 0.000 1.281 224 L CA -0.438 54.392 54.840 -0.017 0.000 1.037 224 L CB -0.879 41.193 42.059 0.021 0.000 1.407 224 L HN 1.205 nan 8.230 nan 0.000 0.566 225 G N 1.710 110.478 108.800 -0.053 0.000 2.565 225 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.295 225 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.295 225 G C 0.954 175.826 174.900 -0.048 0.000 1.165 225 G CA 0.679 45.754 45.100 -0.042 0.000 0.977 225 G HN 0.490 nan 8.290 nan 0.000 0.546 226 S N 0.348 116.027 115.700 -0.035 0.000 2.561 226 S HA 0.122 4.592 4.470 -0.000 0.000 0.225 226 S C 1.815 176.375 174.600 -0.066 0.000 0.977 226 S CA 1.292 59.466 58.200 -0.043 0.000 0.926 226 S CB 0.041 63.228 63.200 -0.021 0.000 0.769 226 S HN 0.652 nan 8.310 nan 0.000 0.533 227 R N 1.193 121.662 120.500 -0.052 0.000 2.320 227 R HA 0.297 4.637 4.340 -0.000 0.000 0.211 227 R C 1.531 177.792 176.300 -0.065 0.000 0.931 227 R CA 0.401 56.474 56.100 -0.046 0.000 1.071 227 R CB -0.315 29.979 30.300 -0.010 0.000 1.025 227 R HN 0.602 nan 8.270 nan 0.000 0.495 228 G N 0.603 109.332 108.800 -0.119 0.000 2.520 228 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 228 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 228 G C -0.714 174.229 174.900 0.071 0.000 1.161 228 G CA -0.233 44.790 45.100 -0.129 0.000 0.946 228 G HN 0.234 nan 8.290 nan 0.000 0.565 229 V N 0.630 120.639 119.914 0.158 0.000 3.048 229 V HA 0.661 4.781 4.120 -0.000 0.000 0.303 229 V C -1.462 174.734 176.094 0.169 0.000 1.214 229 V CA -0.320 62.053 62.300 0.123 0.000 0.984 229 V CB 2.002 33.859 31.823 0.056 0.000 1.054 229 V HN 1.353 nan 8.190 nan 0.000 0.430 230 W N 7.047 128.361 121.300 0.024 0.000 2.317 230 W HA 0.724 5.384 4.660 -0.000 0.000 0.327 230 W C -0.276 176.273 176.519 0.051 0.000 1.036 230 W CA -0.356 57.009 57.345 0.033 0.000 1.419 230 W CB 1.116 30.586 29.460 0.017 0.000 1.253 230 W HN 0.876 nan 8.180 nan 0.000 0.392 231 A N 4.453 127.000 122.820 -0.454 0.000 2.276 231 A HA 0.486 4.806 4.320 -0.000 0.000 0.300 231 A C -0.555 176.783 177.584 -0.410 0.000 1.235 231 A CA -0.220 51.642 52.037 -0.292 0.000 0.867 231 A CB 1.085 19.979 19.000 -0.177 0.000 1.137 231 A HN 0.460 nan 8.150 nan 0.000 0.527 232 S N 2.003 117.635 115.700 -0.114 0.000 2.614 232 S HA 0.546 5.016 4.470 -0.000 0.000 0.288 232 S C -1.235 173.479 174.600 0.189 0.000 1.137 232 S CA -0.412 57.819 58.200 0.051 0.000 0.992 232 S CB 1.105 64.506 63.200 0.334 0.000 1.026 232 S HN 0.771 nan 8.310 nan 0.000 0.486 233 V N 6.162 126.114 119.914 0.062 0.000 2.313 233 V HA 0.462 4.582 4.120 -0.000 0.000 0.278 233 V C -0.041 175.947 176.094 -0.177 0.000 1.017 233 V CA -0.854 61.456 62.300 0.017 0.000 0.823 233 V CB 0.854 32.669 31.823 -0.014 0.000 1.010 233 V HN 1.026 nan 8.190 nan 0.000 0.443 234 N N 4.648 123.060 118.700 -0.480 0.000 2.686 234 N HA -0.233 4.507 4.740 -0.000 0.000 0.261 234 N C 1.272 176.450 175.510 -0.553 0.000 1.001 234 N CA 1.482 54.113 53.050 -0.699 0.000 0.764 234 N CB -0.801 37.536 38.487 -0.250 0.000 0.898 234 N HN 1.393 nan 8.380 nan 0.000 0.544 235 G N -0.674 107.721 108.800 -0.675 0.000 2.284 235 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.247 235 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.247 235 G C -0.135 174.776 174.900 0.018 0.000 1.012 235 G CA 0.422 45.449 45.100 -0.122 0.000 0.618 235 G HN 0.537 nan 8.290 nan 0.000 0.521 236 E N 1.434 121.614 120.200 -0.033 0.000 1.963 236 E HA 0.504 4.854 4.350 -0.000 0.000 0.274 236 E C 0.651 177.242 176.600 -0.016 0.000 1.061 236 E CA 0.187 56.586 56.400 -0.001 0.000 0.847 236 E CB 0.907 30.588 29.700 -0.031 0.000 1.083 236 E HN 0.480 nan 8.360 nan 0.000 0.402 237 G N 2.587 111.396 108.800 0.015 0.000 2.511 237 G HA2 0.536 4.496 3.960 -0.000 0.000 0.318 237 G HA3 0.536 4.496 3.960 -0.000 0.000 0.318 237 G C -0.999 173.579 174.900 -0.537 0.000 1.210 237 G CA -0.506 44.431 45.100 -0.271 0.000 0.969 237 G HN 0.456 nan 8.290 nan 0.000 0.484 238 Q N -0.770 118.432 119.800 -0.997 0.000 2.435 238 Q HA 0.514 4.854 4.340 -0.000 0.000 0.282 238 Q C -1.148 174.339 176.000 -0.855 0.000 1.020 238 Q CA -1.072 54.280 55.803 -0.751 0.000 0.820 238 Q CB 2.151 30.702 28.738 -0.312 0.000 1.436 238 Q HN 0.541 nan 8.270 nan 0.000 0.395 239 R N 1.036 121.303 120.500 -0.387 0.000 2.349 239 R HA 0.569 4.909 4.340 -0.000 0.000 0.299 239 R C -1.271 175.004 176.300 -0.041 0.000 1.027 239 R CA -0.419 55.636 56.100 -0.075 0.000 0.958 239 R CB 1.382 31.824 30.300 0.236 0.000 1.047 239 R HN 0.542 nan 8.270 nan 0.000 0.468 240 V N 7.068 126.993 119.914 0.018 0.000 2.349 240 V HA 0.316 4.436 4.120 -0.000 0.000 0.284 240 V C -2.228 173.910 176.094 0.073 0.000 1.014 240 V CA -2.110 60.228 62.300 0.064 0.000 0.826 240 V CB 1.403 33.302 31.823 0.127 0.000 1.009 240 V HN 0.836 nan 8.190 nan 0.000 0.431 241 P HA 0.239 nan 4.420 nan 0.000 0.269 241 P C 0.505 177.475 177.300 -0.550 0.000 1.209 241 P CA 0.431 63.401 63.100 -0.215 0.000 0.776 241 P CB 0.844 32.447 31.700 -0.162 0.000 0.876 242 G N 1.092 109.444 108.800 -0.746 0.000 2.543 242 G HA2 0.509 4.469 3.960 -0.000 0.000 0.267 242 G HA3 0.509 4.469 3.960 -0.000 0.000 0.267 242 G C -1.098 173.373 174.900 -0.715 0.000 1.406 242 G CA -0.500 43.947 45.100 -1.089 0.000 1.048 242 G HN 0.315 nan 8.290 nan 0.000 0.548 243 F N -0.213 119.693 119.950 -0.073 0.000 2.458 243 F HA 0.505 5.032 4.527 -0.000 0.000 0.330 243 F C 0.697 176.526 175.800 0.048 0.000 1.082 243 F CA -0.915 57.125 58.000 0.068 0.000 0.995 243 F CB 1.537 40.704 39.000 0.278 0.000 1.170 243 F HN -0.078 nan 8.300 nan 0.000 0.478 244 R N 2.334 122.966 120.500 0.219 0.000 2.267 244 R HA 0.551 4.891 4.340 -0.000 0.000 0.319 244 R C -0.879 175.512 176.300 0.151 0.000 1.067 244 R CA -0.345 55.832 56.100 0.129 0.000 0.936 244 R CB 0.735 31.084 30.300 0.082 0.000 1.006 244 R HN 0.594 nan 8.270 nan 0.000 0.452 245 V N -0.064 119.916 119.914 0.109 0.000 3.012 245 V HA 0.336 4.456 4.120 -0.000 0.000 0.307 245 V C -0.657 175.469 176.094 0.055 0.000 1.166 245 V CA -1.334 61.024 62.300 0.096 0.000 0.974 245 V CB 2.255 34.142 31.823 0.106 0.000 1.040 245 V HN 0.500 nan 8.190 nan 0.000 0.428 246 Q N 2.588 122.415 119.800 0.044 0.000 2.307 246 Q HA 0.674 5.014 4.340 -0.000 0.000 0.261 246 Q C 0.140 176.152 176.000 0.020 0.000 1.051 246 Q CA 0.708 56.527 55.803 0.026 0.000 0.911 246 Q CB 0.592 29.343 28.738 0.021 0.000 1.227 246 Q HN 1.421 nan 8.270 nan 0.000 0.418 247 A N 3.341 126.170 122.820 0.015 0.000 2.386 247 A HA 0.428 4.748 4.320 -0.000 0.000 0.248 247 A C 0.700 178.286 177.584 0.004 0.000 1.082 247 A CA 0.118 52.161 52.037 0.010 0.000 0.789 247 A CB 0.539 19.546 19.000 0.012 0.000 1.025 247 A HN 1.100 nan 8.150 nan 0.000 0.490 248 V N -2.098 117.816 119.914 0.001 0.000 3.371 248 V HA 0.362 4.482 4.120 -0.000 0.000 0.246 248 V C 0.003 176.099 176.094 0.003 0.000 1.303 248 V CA 0.941 63.238 62.300 -0.005 0.000 1.156 248 V CB 0.435 32.249 31.823 -0.016 0.000 0.929 248 V HN 0.779 nan 8.190 nan 0.000 0.459 249 D N 1.025 121.429 120.400 0.007 0.000 2.738 249 D HA 0.257 4.897 4.640 -0.000 0.000 0.218 249 D C 0.202 176.514 176.300 0.020 0.000 1.345 249 D CA 0.697 54.709 54.000 0.020 0.000 0.943 249 D CB 1.941 42.747 40.800 0.010 0.000 1.514 249 D HN 0.366 nan 8.370 nan 0.000 0.585 250 T N 1.053 115.627 114.554 0.034 0.000 3.186 250 T HA 0.323 4.673 4.350 -0.000 0.000 0.257 250 T C 1.301 176.020 174.700 0.031 0.000 1.029 250 T CA -0.318 61.799 62.100 0.028 0.000 0.916 250 T CB -0.475 68.412 68.868 0.031 0.000 1.041 250 T HN 0.352 nan 8.240 nan 0.000 0.562 251 I N 1.787 122.377 120.570 0.034 0.000 2.618 251 I HA 0.315 4.485 4.170 -0.000 0.000 0.284 251 I C 1.333 177.460 176.117 0.017 0.000 1.146 251 I CA 0.445 61.763 61.300 0.030 0.000 1.425 251 I CB 0.363 38.382 38.000 0.032 0.000 1.383 251 I HN 0.450 nan 8.210 nan 0.000 0.562 252 A N 4.294 127.124 122.820 0.016 0.000 3.021 252 A HA -0.252 4.068 4.320 -0.000 0.000 0.257 252 A C 1.710 179.303 177.584 0.014 0.000 1.277 252 A CA 0.966 53.009 52.037 0.009 0.000 1.012 252 A CB -1.948 17.050 19.000 -0.004 0.000 1.147 252 A HN 1.001 nan 8.150 nan 0.000 0.861 253 A N -0.493 122.340 122.820 0.022 0.000 1.873 253 A HA 0.262 4.582 4.320 -0.000 0.000 0.215 253 A C 2.646 180.270 177.584 0.066 0.000 1.186 253 A CA 2.114 54.170 52.037 0.032 0.000 0.616 253 A CB -1.254 17.760 19.000 0.022 0.000 0.823 253 A HN 1.928 nan 8.150 nan 0.000 0.442 254 G N -0.244 108.587 108.800 0.052 0.000 2.418 254 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 254 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 254 G C 1.135 176.112 174.900 0.129 0.000 1.158 254 G CA 1.172 46.321 45.100 0.082 0.000 0.771 254 G HN 0.456 nan 8.290 nan 0.000 0.545 255 D N 0.414 120.854 120.400 0.067 0.000 2.123 255 D HA -0.089 4.551 4.640 -0.000 0.000 0.196 255 D C 2.663 178.979 176.300 0.027 0.000 0.992 255 D CA 1.521 55.544 54.000 0.038 0.000 0.833 255 D CB -0.538 40.264 40.800 0.004 0.000 0.954 255 D HN 0.228 nan 8.370 nan 0.000 0.455 256 T N 0.603 115.174 114.554 0.028 0.000 2.821 256 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 256 T C 1.687 176.403 174.700 0.026 0.000 1.046 256 T CA 0.485 62.580 62.100 -0.008 0.000 1.139 256 T CB -0.417 68.436 68.868 -0.026 0.000 0.871 256 T HN 0.105 nan 8.240 nan 0.000 0.454 257 F N 2.699 122.624 119.950 -0.042 0.000 2.095 257 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 257 F C 1.907 177.691 175.800 -0.027 0.000 1.104 257 F CA 1.434 59.414 58.000 -0.032 0.000 1.232 257 F CB -0.550 38.443 39.000 -0.012 0.000 0.987 257 F HN 0.094 nan 8.300 nan 0.000 0.475 258 N N 0.022 118.763 118.700 0.069 0.000 2.084 258 N HA -0.092 4.648 4.740 -0.000 0.000 0.190 258 N C 2.121 177.575 175.510 -0.095 0.000 1.030 258 N CA 1.575 54.608 53.050 -0.029 0.000 0.849 258 N CB -1.010 37.510 38.487 0.054 0.000 1.012 258 N HN 0.423 nan 8.380 nan 0.000 0.423 259 G N 0.150 108.906 108.800 -0.074 0.000 2.421 259 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 259 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 259 G C 1.544 176.403 174.900 -0.068 0.000 1.171 259 G CA 0.989 46.039 45.100 -0.083 0.000 0.775 259 G HN 0.423 nan 8.290 nan 0.000 0.543 260 A N 0.254 123.029 122.820 -0.075 0.000 1.930 260 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 260 A C 2.340 179.959 177.584 0.059 0.000 1.175 260 A CA 1.624 53.679 52.037 0.030 0.000 0.627 260 A CB -0.402 18.535 19.000 -0.106 0.000 0.815 260 A HN 0.440 nan 8.150 nan 0.000 0.443 261 L N 0.162 121.273 121.223 -0.187 0.000 1.989 261 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 261 L C 2.086 178.877 176.870 -0.131 0.000 1.071 261 L CA 1.921 56.609 54.840 -0.252 0.000 0.749 261 L CB -0.445 41.321 42.059 -0.489 0.000 0.890 261 L HN 0.343 nan 8.230 nan 0.000 0.431 262 I N -0.624 119.881 120.570 -0.108 0.000 2.361 262 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 262 I C 2.380 178.454 176.117 -0.071 0.000 1.133 262 I CA 1.516 62.770 61.300 -0.076 0.000 1.413 262 I CB -2.103 35.863 38.000 -0.057 0.000 1.073 262 I HN 0.318 nan 8.210 nan 0.000 0.424 263 T N 1.451 115.972 114.554 -0.055 0.000 2.708 263 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 263 T C 2.085 176.684 174.700 -0.168 0.000 1.037 263 T CA 1.665 63.723 62.100 -0.069 0.000 1.146 263 T CB -0.236 68.636 68.868 0.008 0.000 0.865 263 T HN 0.467 nan 8.240 nan 0.000 0.435 264 A N 1.039 123.725 122.820 -0.225 0.000 1.898 264 A HA 0.058 4.378 4.320 -0.000 0.000 0.216 264 A C 2.297 179.758 177.584 -0.204 0.000 1.181 264 A CA 1.093 52.913 52.037 -0.361 0.000 0.620 264 A CB -0.777 18.019 19.000 -0.341 0.000 0.819 264 A HN 0.469 nan 8.150 nan 0.000 0.442 265 L N -0.629 120.513 121.223 -0.134 0.000 2.093 265 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 265 L C 2.327 179.145 176.870 -0.086 0.000 1.085 265 L CA 0.853 55.636 54.840 -0.096 0.000 0.755 265 L CB -0.452 41.564 42.059 -0.073 0.000 0.904 265 L HN 0.356 nan 8.230 nan 0.000 0.435 266 L N -0.549 120.622 121.223 -0.086 0.000 2.362 266 L HA -0.134 4.206 4.340 -0.000 0.000 0.219 266 L C 1.697 178.520 176.870 -0.079 0.000 1.134 266 L CA 0.821 55.619 54.840 -0.070 0.000 0.807 266 L CB -0.302 41.721 42.059 -0.059 0.000 0.927 266 L HN 0.307 nan 8.230 nan 0.000 0.447 267 E N 0.109 120.242 120.200 -0.112 0.000 2.437 267 E HA -0.021 4.329 4.350 -0.000 0.000 0.189 267 E C -0.159 176.383 176.600 -0.096 0.000 1.054 267 E CA -0.120 56.212 56.400 -0.113 0.000 0.874 267 E CB 0.260 29.860 29.700 -0.167 0.000 1.011 267 E HN 0.312 nan 8.360 nan 0.000 0.474 268 E N 0.577 120.727 120.200 -0.083 0.000 2.868 268 E HA -0.203 4.147 4.350 -0.000 0.000 0.278 268 E C -0.657 175.902 176.600 -0.068 0.000 1.009 268 E CA 0.482 56.843 56.400 -0.065 0.000 0.856 268 E CB -0.932 28.738 29.700 -0.050 0.000 1.428 268 E HN 0.205 nan 8.360 nan 0.000 0.423 269 K N 1.540 121.885 120.400 -0.092 0.000 2.249 269 K HA 0.222 4.542 4.320 -0.000 0.000 0.280 269 K C -2.034 174.531 176.600 -0.059 0.000 1.033 269 K CA -1.498 54.739 56.287 -0.082 0.000 0.946 269 K CB 0.622 33.049 32.500 -0.121 0.000 1.005 269 K HN -0.029 nan 8.250 nan 0.000 0.469 270 P HA -0.115 nan 4.420 nan 0.000 0.268 270 P C 0.745 178.028 177.300 -0.029 0.000 1.208 270 P CA -0.261 62.821 63.100 -0.030 0.000 0.777 270 P CB 0.626 32.314 31.700 -0.020 0.000 0.875 271 L N 4.718 125.924 121.223 -0.029 0.000 2.010 271 L HA -0.173 4.167 4.340 -0.000 0.000 0.219 271 L C -0.811 176.046 176.870 -0.020 0.000 1.077 271 L CA 2.863 57.685 54.840 -0.029 0.000 0.773 271 L CB -2.552 39.491 42.059 -0.027 0.000 0.892 271 L HN 0.365 nan 8.230 nan 0.000 0.436 272 P HA -0.211 nan 4.420 nan 0.000 0.215 272 P C 1.522 178.842 177.300 0.035 0.000 1.157 272 P CA 1.787 64.889 63.100 0.005 0.000 0.868 272 P CB -0.042 31.658 31.700 0.000 0.000 0.788 273 E N -0.493 119.727 120.200 0.033 0.000 2.077 273 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 273 E C 1.952 178.598 176.600 0.076 0.000 0.989 273 E CA 1.166 57.604 56.400 0.063 0.000 0.800 273 E CB -0.515 29.205 29.700 0.034 0.000 0.746 273 E HN 0.040 nan 8.360 nan 0.000 0.452 274 A N 1.144 123.973 122.820 0.015 0.000 1.908 274 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 274 A C 2.145 179.734 177.584 0.008 0.000 1.181 274 A CA 1.378 53.412 52.037 -0.006 0.000 0.627 274 A CB -0.634 18.326 19.000 -0.066 0.000 0.818 274 A HN 0.336 nan 8.150 nan 0.000 0.445 275 I N -1.345 119.208 120.570 -0.029 0.000 2.394 275 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 275 I C 2.695 178.796 176.117 -0.028 0.000 1.136 275 I CA 1.516 62.754 61.300 -0.103 0.000 1.425 275 I CB -0.296 37.678 38.000 -0.044 0.000 1.079 275 I HN 0.357 nan 8.210 nan 0.000 0.425 276 R N 0.624 121.214 120.500 0.151 0.000 2.092 276 R HA -0.196 4.144 4.340 -0.000 0.000 0.231 276 R C 2.381 178.928 176.300 0.411 0.000 1.119 276 R CA 1.407 57.709 56.100 0.337 0.000 0.970 276 R CB -0.305 30.186 30.300 0.319 0.000 0.864 276 R HN 0.215 nan 8.270 nan 0.000 0.440 277 F N 0.951 120.979 119.950 0.131 0.000 2.126 277 F HA -0.150 4.377 4.527 -0.000 0.000 0.299 277 F C 2.047 177.875 175.800 0.046 0.000 1.096 277 F CA 1.630 59.680 58.000 0.084 0.000 1.255 277 F CB -0.469 38.532 39.000 0.003 0.000 0.997 277 F HN 0.100 nan 8.300 nan 0.000 0.479 278 A N -0.496 122.349 122.820 0.041 0.000 1.902 278 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 278 A C 2.118 179.756 177.584 0.089 0.000 1.181 278 A CA 1.791 53.719 52.037 -0.181 0.000 0.623 278 A CB -1.226 17.333 19.000 -0.736 0.000 0.818 278 A HN 0.566 nan 8.150 nan 0.000 0.443 279 H N -0.165 119.082 119.070 0.296 0.000 2.387 279 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 279 H C 2.541 178.067 175.328 0.330 0.000 1.090 279 H CA 1.330 57.608 56.048 0.382 0.000 1.332 279 H CB -0.621 29.335 29.762 0.325 0.000 1.386 279 H HN 0.517 nan 8.280 nan 0.000 0.516 280 A N 1.054 124.097 122.820 0.373 0.000 1.877 280 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 280 A C 2.731 180.058 177.584 -0.429 0.000 1.186 280 A CA 1.950 53.875 52.037 -0.186 0.000 0.620 280 A CB -0.952 17.955 19.000 -0.155 0.000 0.822 280 A HN 0.434 nan 8.150 nan 0.000 0.443 281 A N -0.194 122.423 122.820 -0.338 0.000 1.908 281 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 281 A C 2.507 179.974 177.584 -0.196 0.000 1.181 281 A CA 2.286 54.127 52.037 -0.327 0.000 0.627 281 A CB -1.030 17.757 19.000 -0.354 0.000 0.818 281 A HN 1.091 nan 8.150 nan 0.000 0.445 282 A N -0.285 122.502 122.820 -0.054 0.000 1.930 282 A HA 0.209 4.529 4.320 -0.000 0.000 0.217 282 A C 2.502 180.068 177.584 -0.029 0.000 1.175 282 A CA 1.955 54.008 52.037 0.027 0.000 0.627 282 A CB -0.990 18.128 19.000 0.198 0.000 0.815 282 A HN 1.040 nan 8.150 nan 0.000 0.443 283 A N 0.241 123.022 122.820 -0.064 0.000 1.883 283 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 283 A C 2.115 179.573 177.584 -0.209 0.000 1.186 283 A CA 1.618 53.590 52.037 -0.108 0.000 0.624 283 A CB -0.673 18.249 19.000 -0.131 0.000 0.822 283 A HN 0.502 nan 8.150 nan 0.000 0.444 284 I N -0.236 120.106 120.570 -0.379 0.000 2.226 284 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 284 I C 2.969 179.001 176.117 -0.142 0.000 1.100 284 I CA 1.066 62.194 61.300 -0.287 0.000 1.374 284 I CB -0.422 37.382 38.000 -0.328 0.000 1.057 284 I HN 0.373 nan 8.210 nan 0.000 0.413 285 A N 0.839 123.584 122.820 -0.125 0.000 1.908 285 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 285 A C 2.375 179.932 177.584 -0.045 0.000 1.181 285 A CA 2.067 54.060 52.037 -0.074 0.000 0.627 285 A CB -1.096 17.866 19.000 -0.063 0.000 0.818 285 A HN 0.406 nan 8.150 nan 0.000 0.445 286 V N -1.770 118.121 119.914 -0.037 0.000 3.078 286 V HA -0.079 4.041 4.120 -0.000 0.000 0.265 286 V C 1.865 177.951 176.094 -0.014 0.000 1.122 286 V CA 2.133 64.424 62.300 -0.015 0.000 1.141 286 V CB -1.683 30.139 31.823 -0.001 0.000 0.735 286 V HN 0.688 nan 8.190 nan 0.000 0.498 287 T N -1.973 112.566 114.554 -0.025 0.000 3.188 287 T HA 0.359 4.709 4.350 -0.000 0.000 0.250 287 T C 0.636 175.324 174.700 -0.019 0.000 1.077 287 T CA -0.277 61.815 62.100 -0.014 0.000 0.967 287 T CB -0.183 68.681 68.868 -0.007 0.000 1.006 287 T HN 0.621 nan 8.240 nan 0.000 0.552 288 R N 0.157 120.642 120.500 -0.025 0.000 2.912 288 R HA 0.641 4.981 4.340 -0.000 0.000 0.262 288 R C -0.833 175.448 176.300 -0.031 0.000 1.057 288 R CA -1.055 55.029 56.100 -0.028 0.000 0.981 288 R CB 1.736 32.021 30.300 -0.024 0.000 1.201 288 R HN 0.141 nan 8.270 nan 0.000 0.484 289 K N 0.495 120.868 120.400 -0.044 0.000 2.110 289 K HA 0.557 4.877 4.320 -0.000 0.000 0.263 289 K C -0.031 176.548 176.600 -0.036 0.000 0.975 289 K CA -0.245 56.013 56.287 -0.050 0.000 0.895 289 K CB 1.680 34.117 32.500 -0.106 0.000 1.060 289 K HN 0.808 nan 8.250 nan 0.000 0.448 290 G N 0.534 109.322 108.800 -0.021 0.000 2.781 290 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.683 290 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.683 290 G C 0.296 175.188 174.900 -0.014 0.000 1.390 290 G CA -0.353 44.735 45.100 -0.021 0.000 0.850 290 G HN 0.651 nan 8.290 nan 0.000 0.557 291 A N -0.244 122.570 122.820 -0.010 0.000 1.858 291 A HA 0.208 4.528 4.320 -0.000 0.000 0.215 291 A C 2.258 179.836 177.584 -0.011 0.000 1.320 291 A CA 2.178 54.213 52.037 -0.004 0.000 0.601 291 A CB -0.766 18.241 19.000 0.010 0.000 0.976 291 A HN 0.920 nan 8.150 nan 0.000 0.470 292 Q N -0.400 119.405 119.800 0.008 0.000 2.124 292 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 292 Q C -0.668 175.330 176.000 -0.004 0.000 0.977 292 Q CA 1.879 57.684 55.803 0.004 0.000 0.850 292 Q CB -0.940 27.842 28.738 0.073 0.000 0.901 292 Q HN 0.506 nan 8.270 nan 0.000 0.429 293 P HA -0.131 nan 4.420 nan 0.000 0.222 293 P C 1.043 178.343 177.300 0.001 0.000 1.147 293 P CA 1.500 64.608 63.100 0.014 0.000 0.790 293 P CB 0.045 31.743 31.700 -0.005 0.000 0.780 294 S N -1.983 113.705 115.700 -0.021 0.000 2.558 294 S HA 0.039 4.509 4.470 -0.000 0.000 0.217 294 S C 0.742 175.308 174.600 -0.057 0.000 0.975 294 S CA -0.155 58.027 58.200 -0.030 0.000 0.912 294 S CB -0.988 62.193 63.200 -0.031 0.000 0.776 294 S HN -0.158 nan 8.310 nan 0.000 0.526 295 V N 5.608 125.469 119.914 -0.087 0.000 2.446 295 V HA 0.271 4.391 4.120 -0.000 0.000 0.276 295 V C -1.721 174.252 176.094 -0.202 0.000 1.030 295 V CA -1.695 60.513 62.300 -0.154 0.000 1.033 295 V CB 0.194 31.895 31.823 -0.204 0.000 0.993 295 V HN 0.414 nan 8.190 nan 0.000 0.477 296 P HA 0.136 nan 4.420 nan 0.000 0.274 296 P C -0.879 176.309 177.300 -0.186 0.000 1.237 296 P CA -0.502 62.532 63.100 -0.110 0.000 0.793 296 P CB 0.905 32.538 31.700 -0.113 0.000 0.977 297 W N 1.093 122.367 121.300 -0.044 0.000 2.332 297 W HA 0.371 5.031 4.660 -0.000 0.000 0.351 297 W C 2.042 178.553 176.519 -0.014 0.000 1.195 297 W CA -0.405 56.928 57.345 -0.020 0.000 1.334 297 W CB 0.017 29.474 29.460 -0.006 0.000 1.206 297 W HN 0.360 nan 8.180 nan 0.000 0.637 298 R N 0.998 121.666 120.500 0.279 0.000 2.096 298 R HA -0.227 4.113 4.340 -0.000 0.000 0.240 298 R C 1.601 178.010 176.300 0.182 0.000 1.139 298 R CA 2.236 58.467 56.100 0.218 0.000 0.952 298 R CB -0.463 29.977 30.300 0.232 0.000 0.854 298 R HN 0.514 nan 8.270 nan 0.000 0.436 299 E N 0.478 120.783 120.200 0.176 0.000 2.085 299 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 299 E C 1.946 178.608 176.600 0.104 0.000 0.994 299 E CA 1.895 58.365 56.400 0.115 0.000 0.801 299 E CB -0.191 29.553 29.700 0.074 0.000 0.743 299 E HN 0.563 nan 8.360 nan 0.000 0.453 300 E N 0.141 120.412 120.200 0.120 0.000 2.072 300 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 300 E C 2.171 178.807 176.600 0.061 0.000 0.985 300 E CA 0.933 57.387 56.400 0.091 0.000 0.801 300 E CB -0.194 29.566 29.700 0.100 0.000 0.750 300 E HN 0.278 nan 8.360 nan 0.000 0.452 301 I N 1.743 122.320 120.570 0.012 0.000 2.179 301 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 301 I C 1.952 178.091 176.117 0.036 0.000 1.088 301 I CA 1.089 62.335 61.300 -0.089 0.000 1.357 301 I CB -0.311 37.503 38.000 -0.310 0.000 1.051 301 I HN 0.028 nan 8.210 nan 0.000 0.409 302 D N 1.160 121.626 120.400 0.110 0.000 2.117 302 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 302 D C 2.273 178.630 176.300 0.095 0.000 0.987 302 D CA 1.592 55.676 54.000 0.139 0.000 0.829 302 D CB -0.174 40.713 40.800 0.145 0.000 0.961 302 D HN 0.360 nan 8.370 nan 0.000 0.460 303 A N 0.927 123.798 122.820 0.085 0.000 1.865 303 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 303 A C 2.161 179.773 177.584 0.048 0.000 1.191 303 A CA 1.326 53.398 52.037 0.058 0.000 0.623 303 A CB -1.221 17.815 19.000 0.061 0.000 0.826 303 A HN 0.258 nan 8.150 nan 0.000 0.444 304 F N 0.375 120.276 119.950 -0.082 0.000 2.126 304 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 304 F C 1.967 177.656 175.800 -0.185 0.000 1.096 304 F CA 1.817 59.729 58.000 -0.147 0.000 1.255 304 F CB -0.165 38.716 39.000 -0.197 0.000 0.997 304 F HN 0.160 nan 8.300 nan 0.000 0.479 305 L N -0.162 121.094 121.223 0.055 0.000 2.005 305 L HA -0.224 4.116 4.340 -0.000 0.000 0.207 305 L C 1.902 178.748 176.870 -0.041 0.000 1.072 305 L CA 1.493 56.332 54.840 -0.002 0.000 0.744 305 L CB -0.879 41.252 42.059 0.120 0.000 0.895 305 L HN -0.008 nan 8.230 nan 0.000 0.433 306 D N -0.018 120.378 120.400 -0.007 0.000 2.397 306 D HA -0.172 4.468 4.640 -0.000 0.000 0.219 306 D C 2.032 178.300 176.300 -0.053 0.000 0.975 306 D CA 0.935 54.929 54.000 -0.010 0.000 0.940 306 D CB -0.076 40.727 40.800 0.004 0.000 0.884 306 D HN 0.352 nan 8.370 nan 0.000 0.505 307 R N -0.552 119.871 120.500 -0.128 0.000 2.254 307 R HA 0.123 4.463 4.340 -0.000 0.000 0.193 307 R C 1.476 177.678 176.300 -0.165 0.000 0.929 307 R CA 0.177 56.179 56.100 -0.163 0.000 1.038 307 R CB 0.374 30.524 30.300 -0.251 0.000 1.009 307 R HN 0.074 nan 8.270 nan 0.000 0.512 308 Q N 0.935 120.625 119.800 -0.183 0.000 2.408 308 Q HA 0.079 4.419 4.340 -0.000 0.000 0.205 308 Q C 0.221 176.277 176.000 0.094 0.000 0.919 308 Q CA 0.558 56.329 55.803 -0.054 0.000 0.932 308 Q CB 0.680 29.355 28.738 -0.106 0.000 1.058 308 Q HN 0.278 nan 8.270 nan 0.000 0.517 309 R N 0.000 120.537 120.500 0.062 0.000 2.786 309 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 309 R CA 0.000 56.151 56.100 0.085 0.000 0.921 309 R CB 0.000 30.385 30.300 0.142 0.000 0.687 309 R HN 0.000 nan 8.270 nan 0.000 0.535