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 1rks_1_A DATA FIRST_RESID 4 DATA SEQUENCE AGSLVVLGSI NADHILNLQS FPTPGETVTG NHYQVAFGGK GANQAVAAGR DATA SEQUENCE SGANIAFIAC TGDDSIGESV RQQLATDNID ITPVSVIKGE STGVALIFVN DATA SEQUENCE GEGENVIGIH AGANAALSPA LVEAQRERIA NASALLMQLE SPLESVMAAA DATA SEQUENCE KIAHQNKTIV ALNPAPAREL PDELLALVDI ITPNETEAEK LTGIRVENDE DATA SEQUENCE DAAKAAQVLH EKGIRTVLIT LGSRGVWASV NGEGQRVPGF RVQAVDTIAA DATA SEQUENCE GDTFNGALIT ALLEEKPLPE AIRFAHAAAA IAVTRKGAQP SVPWREEIDA DATA SEQUENCE FLDRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.569 177.584 -0.025 0.000 1.274 4 A CA 0.000 52.016 52.037 -0.035 0.000 0.836 4 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 5 G N 0.750 109.535 108.800 -0.026 0.000 2.588 5 G HA2 0.554 4.514 3.960 -0.001 0.000 0.278 5 G HA3 0.554 4.514 3.960 -0.001 0.000 0.278 5 G C 0.467 175.357 174.900 -0.016 0.000 1.307 5 G CA 0.370 45.459 45.100 -0.018 0.000 1.016 5 G HN 1.952 nan 8.290 nan 0.000 0.503 6 S N -1.154 114.540 115.700 -0.010 0.000 2.562 6 S HA 0.515 4.985 4.470 -0.001 0.000 0.275 6 S C -0.515 174.082 174.600 -0.005 0.000 1.281 6 S CA -0.691 57.506 58.200 -0.005 0.000 1.045 6 S CB 1.648 64.849 63.200 0.000 0.000 0.962 6 S HN 0.626 nan 8.310 nan 0.000 0.503 7 L N 3.355 124.576 121.223 -0.004 0.000 2.307 7 L HA 0.679 5.019 4.340 -0.001 0.000 0.284 7 L C -1.034 175.844 176.870 0.013 0.000 1.023 7 L CA -0.627 54.212 54.840 -0.002 0.000 0.810 7 L CB 1.682 43.732 42.059 -0.015 0.000 1.231 7 L HN 0.642 nan 8.230 nan 0.000 0.423 8 V N 5.972 125.900 119.914 0.022 0.000 2.357 8 V HA 0.487 4.607 4.120 -0.001 0.000 0.284 8 V C -0.318 175.812 176.094 0.059 0.000 1.018 8 V CA -0.614 61.714 62.300 0.046 0.000 0.841 8 V CB 1.709 33.557 31.823 0.041 0.000 0.991 8 V HN 0.562 nan 8.190 nan 0.000 0.437 9 V N 6.567 126.544 119.914 0.104 0.000 2.483 9 V HA 0.534 4.653 4.120 -0.001 0.000 0.295 9 V C -0.274 175.988 176.094 0.281 0.000 1.035 9 V CA -0.590 61.789 62.300 0.131 0.000 0.896 9 V CB 1.838 33.671 31.823 0.016 0.000 0.986 9 V HN 0.706 nan 8.190 nan 0.000 0.447 10 L N 4.430 125.779 121.223 0.211 0.000 2.406 10 L HA 0.917 5.257 4.340 -0.001 0.000 0.270 10 L C 0.017 176.998 176.870 0.185 0.000 0.982 10 L CA 0.350 55.292 54.840 0.169 0.000 0.843 10 L CB 1.243 43.346 42.059 0.073 0.000 1.225 10 L HN 0.863 nan 8.230 nan 0.000 0.412 11 G N 1.633 110.579 108.800 0.244 0.000 2.348 11 G HA2 0.269 4.229 3.960 -0.001 0.000 0.296 11 G HA3 0.269 4.229 3.960 -0.001 0.000 0.296 11 G C -1.281 173.731 174.900 0.186 0.000 1.258 11 G CA -0.039 45.175 45.100 0.191 0.000 0.868 11 G HN 0.679 nan 8.290 nan 0.000 0.488 12 S N -1.040 114.753 115.700 0.155 0.000 2.603 12 S HA 0.717 5.186 4.470 -0.001 0.000 0.268 12 S C -0.160 174.561 174.600 0.202 0.000 1.317 12 S CA -0.281 57.994 58.200 0.124 0.000 1.012 12 S CB 1.076 64.323 63.200 0.079 0.000 0.926 12 S HN 0.652 nan 8.310 nan 0.000 0.539 13 I N 2.203 122.854 120.570 0.135 0.000 2.466 13 I HA 0.441 4.611 4.170 -0.001 0.000 0.289 13 I C -0.798 175.393 176.117 0.124 0.000 1.026 13 I CA -0.670 60.724 61.300 0.156 0.000 1.078 13 I CB 1.874 39.946 38.000 0.120 0.000 1.249 13 I HN 0.612 nan 8.210 nan 0.000 0.429 14 N N 3.637 122.426 118.700 0.148 0.000 2.405 14 N HA 0.683 5.422 4.740 -0.001 0.000 0.285 14 N C -0.964 174.664 175.510 0.196 0.000 1.262 14 N CA -0.683 52.456 53.050 0.149 0.000 0.773 14 N CB 2.320 40.878 38.487 0.119 0.000 1.490 14 N HN 0.576 nan 8.380 nan 0.000 0.486 15 A N 0.659 123.592 122.820 0.188 0.000 2.280 15 A HA 0.380 4.700 4.320 -0.001 0.000 0.320 15 A C -0.877 176.781 177.584 0.124 0.000 1.366 15 A CA -0.554 51.563 52.037 0.132 0.000 0.938 15 A CB -0.145 18.954 19.000 0.165 0.000 1.157 15 A HN 0.444 nan 8.150 nan 0.000 0.536 16 D N 1.886 122.293 120.400 0.011 0.000 2.308 16 D HA 0.394 5.033 4.640 -0.001 0.000 0.251 16 D C -0.647 175.596 176.300 -0.095 0.000 1.127 16 D CA 0.697 54.718 54.000 0.035 0.000 0.876 16 D CB 0.652 41.452 40.800 -0.001 0.000 1.176 16 D HN 0.537 nan 8.370 nan 0.000 0.446 17 H N 1.475 120.515 119.070 -0.051 0.000 2.685 17 H HA 0.458 5.014 4.556 -0.001 0.000 0.307 17 H C -0.283 175.046 175.328 0.001 0.000 1.017 17 H CA -0.417 55.612 56.048 -0.033 0.000 1.237 17 H CB 0.411 30.237 29.762 0.107 0.000 1.409 17 H HN 0.193 nan 8.280 nan 0.000 0.488 18 I N 3.729 124.298 120.570 -0.001 0.000 2.378 18 I HA 0.219 4.388 4.170 -0.001 0.000 0.291 18 I C -0.857 175.371 176.117 0.185 0.000 0.992 18 I CA -0.870 60.467 61.300 0.062 0.000 1.154 18 I CB 1.630 39.632 38.000 0.003 0.000 1.315 18 I HN 0.263 nan 8.210 nan 0.000 0.448 19 L N 6.718 128.130 121.223 0.314 0.000 2.349 19 L HA 0.483 4.822 4.340 -0.001 0.000 0.278 19 L C -0.675 176.390 176.870 0.324 0.000 0.996 19 L CA -0.140 54.929 54.840 0.382 0.000 0.825 19 L CB 1.289 43.637 42.059 0.482 0.000 1.243 19 L HN 0.452 nan 8.230 nan 0.000 0.412 20 N N 4.412 123.256 118.700 0.240 0.000 2.488 20 N HA 0.611 5.350 4.740 -0.001 0.000 0.274 20 N C -1.065 174.514 175.510 0.115 0.000 1.111 20 N CA -0.157 52.997 53.050 0.174 0.000 0.974 20 N CB 0.759 39.344 38.487 0.164 0.000 1.089 20 N HN 0.463 nan 8.380 nan 0.000 0.465 21 L N -0.633 120.617 121.223 0.045 0.000 2.397 21 L HA 0.524 4.864 4.340 -0.001 0.000 0.251 21 L C 0.830 177.642 176.870 -0.097 0.000 1.064 21 L CA -0.846 53.974 54.840 -0.032 0.000 0.859 21 L CB 0.674 42.685 42.059 -0.080 0.000 1.468 21 L HN 0.244 nan 8.230 nan 0.000 0.411 22 Q N 0.211 119.947 119.800 -0.107 0.000 1.969 22 Q HA 0.169 4.509 4.340 -0.001 0.000 0.198 22 Q C -0.179 175.695 176.000 -0.210 0.000 0.978 22 Q CA 1.402 57.131 55.803 -0.122 0.000 0.830 22 Q CB -0.045 28.640 28.738 -0.088 0.000 0.896 22 Q HN 0.800 nan 8.270 nan 0.000 0.431 23 S N 0.232 115.804 115.700 -0.213 0.000 2.538 23 S HA 0.428 4.898 4.470 -0.001 0.000 0.288 23 S C -0.665 173.807 174.600 -0.213 0.000 1.108 23 S CA -0.754 57.288 58.200 -0.264 0.000 0.971 23 S CB 1.010 64.131 63.200 -0.133 0.000 1.041 23 S HN 0.079 nan 8.310 nan 0.000 0.483 24 F N 3.672 123.583 119.950 -0.066 0.000 2.623 24 F HA 0.129 4.656 4.527 -0.000 0.000 0.386 24 F C -1.569 174.150 175.800 -0.136 0.000 1.068 24 F CA -1.432 56.507 58.000 -0.102 0.000 1.265 24 F CB -0.644 38.356 39.000 -0.000 0.000 1.026 24 F HN 0.282 nan 8.300 nan 0.000 0.568 25 P HA 0.089 nan 4.420 nan 0.000 0.269 25 P C -0.169 177.144 177.300 0.022 0.000 1.209 25 P CA -0.258 62.805 63.100 -0.062 0.000 0.776 25 P CB 0.621 32.227 31.700 -0.157 0.000 0.876 26 T N -0.655 113.908 114.554 0.016 0.000 2.936 26 T HA 0.526 4.876 4.350 -0.001 0.000 0.282 26 T C -2.645 172.066 174.700 0.018 0.000 1.003 26 T CA -2.674 59.442 62.100 0.027 0.000 1.005 26 T CB 0.241 69.123 68.868 0.023 0.000 1.097 26 T HN 0.092 nan 8.240 nan 0.000 0.532 27 P HA 0.245 nan 4.420 nan 0.000 0.261 27 P C 1.084 178.391 177.300 0.011 0.000 1.183 27 P CA 1.350 64.460 63.100 0.017 0.000 0.761 27 P CB -0.043 31.666 31.700 0.015 0.000 0.785 28 G N 1.912 110.719 108.800 0.012 0.000 2.189 28 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.267 28 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.267 28 G C 0.115 175.016 174.900 0.001 0.000 0.975 28 G CA 0.291 45.395 45.100 0.007 0.000 0.644 28 G HN 0.680 nan 8.290 nan 0.000 0.537 29 E N 0.497 120.697 120.200 -0.002 0.000 2.204 29 E HA 0.610 4.959 4.350 -0.001 0.000 0.276 29 E C -0.609 175.978 176.600 -0.022 0.000 0.974 29 E CA -0.459 55.934 56.400 -0.012 0.000 0.815 29 E CB 1.078 30.770 29.700 -0.015 0.000 1.119 29 E HN 0.032 nan 8.360 nan 0.000 0.393 30 T N 3.368 117.906 114.554 -0.026 0.000 2.749 30 T HA 0.343 4.693 4.350 -0.001 0.000 0.287 30 T C -0.599 174.069 174.700 -0.053 0.000 0.970 30 T CA -0.492 61.587 62.100 -0.035 0.000 0.980 30 T CB 1.092 69.947 68.868 -0.022 0.000 0.924 30 T HN 0.291 nan 8.240 nan 0.000 0.456 31 V N 3.589 123.452 119.914 -0.085 0.000 2.667 31 V HA 0.459 4.578 4.120 -0.001 0.000 0.308 31 V C 0.322 176.368 176.094 -0.080 0.000 1.048 31 V CA -0.821 61.422 62.300 -0.096 0.000 0.928 31 V CB 2.226 33.959 31.823 -0.149 0.000 1.004 31 V HN 0.936 nan 8.190 nan 0.000 0.444 32 T N 3.608 118.128 114.554 -0.057 0.000 2.733 32 T HA 0.552 4.902 4.350 -0.001 0.000 0.294 32 T C 0.489 175.171 174.700 -0.030 0.000 0.956 32 T CA -0.127 61.952 62.100 -0.036 0.000 0.987 32 T CB 1.174 70.028 68.868 -0.024 0.000 0.920 32 T HN 0.923 nan 8.240 nan 0.000 0.470 33 G N 2.743 111.537 108.800 -0.010 0.000 2.568 33 G HA2 0.489 4.449 3.960 -0.001 0.000 0.293 33 G HA3 0.489 4.449 3.960 -0.001 0.000 0.293 33 G C 0.275 175.202 174.900 0.045 0.000 1.347 33 G CA -0.851 44.261 45.100 0.020 0.000 1.039 33 G HN 0.713 nan 8.290 nan 0.000 0.523 34 N N -2.267 116.481 118.700 0.081 0.000 2.477 34 N HA 0.111 4.851 4.740 -0.001 0.000 0.167 34 N C 0.448 176.051 175.510 0.155 0.000 1.351 34 N CA -0.642 52.467 53.050 0.099 0.000 1.087 34 N CB -0.252 38.289 38.487 0.090 0.000 1.263 34 N HN 0.484 nan 8.380 nan 0.000 0.408 35 H N -0.428 118.691 119.070 0.082 0.000 2.972 35 H HA -0.032 4.523 4.556 -0.001 0.000 0.343 35 H C -1.219 174.218 175.328 0.181 0.000 1.054 35 H CA 0.695 56.803 56.048 0.101 0.000 1.412 35 H CB 0.274 30.071 29.762 0.058 0.000 1.385 35 H HN 0.435 nan 8.280 nan 0.000 0.600 36 Y N 3.466 123.476 120.300 -0.483 0.000 2.457 36 Y HA 0.263 4.813 4.550 -0.001 0.000 0.343 36 Y C -1.302 174.354 175.900 -0.406 0.000 0.994 36 Y CA -0.756 57.177 58.100 -0.277 0.000 1.031 36 Y CB 1.462 39.844 38.460 -0.131 0.000 1.246 36 Y HN 0.707 nan 8.280 nan 0.000 0.449 37 Q N 4.652 123.870 119.800 -0.970 0.000 2.309 37 Q HA 0.693 5.033 4.340 -0.001 0.000 0.273 37 Q C -2.232 173.269 176.000 -0.832 0.000 1.040 37 Q CA -0.907 54.447 55.803 -0.750 0.000 0.834 37 Q CB 2.416 30.964 28.738 -0.316 0.000 1.345 37 Q HN 0.628 nan 8.270 nan 0.000 0.414 38 V N 2.403 121.909 119.914 -0.680 0.000 2.347 38 V HA 0.895 5.015 4.120 -0.001 0.000 0.280 38 V C -0.413 175.385 176.094 -0.494 0.000 1.021 38 V CA -0.133 61.794 62.300 -0.622 0.000 0.847 38 V CB 0.767 32.234 31.823 -0.593 0.000 0.990 38 V HN 0.826 nan 8.190 nan 0.000 0.444 39 A N 4.259 126.808 122.820 -0.452 0.000 2.569 39 A HA 0.919 5.239 4.320 -0.001 0.000 0.290 39 A C -1.189 176.166 177.584 -0.381 0.000 1.136 39 A CA -0.584 51.193 52.037 -0.432 0.000 0.710 39 A CB 1.181 20.055 19.000 -0.211 0.000 1.303 39 A HN 0.475 nan 8.150 nan 0.000 0.413 40 F N 0.457 120.380 119.950 -0.045 0.000 2.429 40 F HA 0.577 5.104 4.527 -0.000 0.000 0.348 40 F C 1.205 176.998 175.800 -0.011 0.000 1.109 40 F CA 0.978 58.969 58.000 -0.016 0.000 1.232 40 F CB 1.325 40.324 39.000 -0.002 0.000 1.157 40 F HN 0.871 nan 8.300 nan 0.000 0.564 41 G N -0.354 108.576 108.800 0.216 0.000 2.793 41 G HA2 0.614 4.573 3.960 -0.001 0.000 0.248 41 G HA3 0.614 4.573 3.960 -0.001 0.000 0.248 41 G C -0.558 174.410 174.900 0.114 0.000 1.198 41 G CA -0.253 44.918 45.100 0.118 0.000 0.865 41 G HN 1.201 nan 8.290 nan 0.000 0.534 42 G N -0.989 107.861 108.800 0.084 0.000 2.911 42 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.686 42 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.686 42 G C 0.319 175.252 174.900 0.057 0.000 1.136 42 G CA 0.389 45.539 45.100 0.084 0.000 0.764 42 G HN 0.721 nan 8.290 nan 0.000 0.626 43 K N 0.847 121.278 120.400 0.051 0.000 2.147 43 K HA -0.044 4.275 4.320 -0.001 0.000 0.205 43 K C 2.716 179.328 176.600 0.021 0.000 1.049 43 K CA 1.685 57.991 56.287 0.032 0.000 0.936 43 K CB -0.092 32.428 32.500 0.034 0.000 0.722 43 K HN 0.687 nan 8.250 nan 0.000 0.446 44 G N 0.962 109.808 108.800 0.077 0.000 2.394 44 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.214 44 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.214 44 G C 1.603 176.388 174.900 -0.191 0.000 1.176 44 G CA 0.787 45.944 45.100 0.096 0.000 0.786 44 G HN 0.333 nan 8.290 nan 0.000 0.533 45 A N 1.317 124.102 122.820 -0.059 0.000 1.898 45 A HA -0.064 4.256 4.320 -0.001 0.000 0.216 45 A C 2.280 179.715 177.584 -0.249 0.000 1.181 45 A CA 1.903 53.795 52.037 -0.241 0.000 0.620 45 A CB -0.452 18.568 19.000 0.034 0.000 0.819 45 A HN 0.332 nan 8.150 nan 0.000 0.442 46 N N 0.172 118.798 118.700 -0.124 0.000 2.069 46 N HA -0.175 4.565 4.740 -0.001 0.000 0.191 46 N C 1.895 177.318 175.510 -0.144 0.000 1.031 46 N CA 1.788 54.776 53.050 -0.103 0.000 0.852 46 N CB -0.533 37.928 38.487 -0.042 0.000 1.018 46 N HN 0.677 nan 8.380 nan 0.000 0.423 47 Q N 0.119 119.830 119.800 -0.148 0.000 2.119 47 Q HA 0.079 4.419 4.340 -0.001 0.000 0.201 47 Q C 2.073 177.937 176.000 -0.227 0.000 0.972 47 Q CA 1.307 57.022 55.803 -0.146 0.000 0.847 47 Q CB -0.132 28.548 28.738 -0.096 0.000 0.903 47 Q HN 0.399 nan 8.270 nan 0.000 0.433 48 A N 0.463 123.052 122.820 -0.385 0.000 1.902 48 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 48 A C 2.333 179.717 177.584 -0.333 0.000 1.181 48 A CA 1.253 53.010 52.037 -0.468 0.000 0.623 48 A CB -0.642 17.762 19.000 -0.994 0.000 0.818 48 A HN 0.199 nan 8.150 nan 0.000 0.443 49 V N -0.203 119.525 119.914 -0.310 0.000 2.307 49 V HA -0.229 3.890 4.120 -0.001 0.000 0.245 49 V C 3.065 178.991 176.094 -0.280 0.000 1.045 49 V CA 1.929 64.064 62.300 -0.275 0.000 1.024 49 V CB -1.195 30.491 31.823 -0.229 0.000 0.651 49 V HN 0.607 nan 8.190 nan 0.000 0.449 50 A N -0.170 122.516 122.820 -0.224 0.000 1.933 50 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 50 A C 2.387 179.874 177.584 -0.162 0.000 1.175 50 A CA 2.112 54.033 52.037 -0.194 0.000 0.628 50 A CB -0.683 18.234 19.000 -0.139 0.000 0.814 50 A HN 0.567 nan 8.150 nan 0.000 0.444 51 A N -0.489 122.241 122.820 -0.150 0.000 1.855 51 A HA 0.179 4.499 4.320 -0.001 0.000 0.215 51 A C 2.442 179.963 177.584 -0.104 0.000 1.191 51 A CA 1.842 53.817 52.037 -0.102 0.000 0.613 51 A CB -1.426 17.514 19.000 -0.100 0.000 0.829 51 A HN 0.700 nan 8.150 nan 0.000 0.442 52 G N -0.707 108.002 108.800 -0.152 0.000 2.418 52 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.217 52 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.217 52 G C 1.777 176.568 174.900 -0.182 0.000 1.158 52 G CA 0.859 45.877 45.100 -0.137 0.000 0.771 52 G HN 0.528 nan 8.290 nan 0.000 0.545 53 R N 0.592 120.861 120.500 -0.385 0.000 2.115 53 R HA -0.038 4.302 4.340 -0.001 0.000 0.230 53 R C 2.880 179.093 176.300 -0.145 0.000 1.111 53 R CA 1.375 57.110 56.100 -0.608 0.000 0.976 53 R CB -0.215 29.408 30.300 -1.128 0.000 0.870 53 R HN 0.516 nan 8.270 nan 0.000 0.445 54 S N -1.160 114.493 115.700 -0.078 0.000 2.607 54 S HA 0.091 4.560 4.470 -0.001 0.000 0.224 54 S C 1.269 175.965 174.600 0.160 0.000 0.969 54 S CA 0.613 58.870 58.200 0.095 0.000 0.927 54 S CB 0.767 64.049 63.200 0.138 0.000 0.772 54 S HN 0.492 nan 8.310 nan 0.000 0.533 55 G N -0.033 108.820 108.800 0.088 0.000 2.227 55 G HA2 0.084 4.044 3.960 -0.001 0.000 0.168 55 G HA3 0.084 4.044 3.960 -0.001 0.000 0.168 55 G C 0.216 175.136 174.900 0.033 0.000 1.006 55 G CA -0.206 44.942 45.100 0.080 0.000 0.684 55 G HN 1.039 nan 8.290 nan 0.000 0.489 56 A N 0.022 122.848 122.820 0.010 0.000 2.346 56 A HA 0.631 4.950 4.320 -0.001 0.000 0.252 56 A C 0.481 178.063 177.584 -0.003 0.000 1.089 56 A CA 0.494 52.525 52.037 -0.010 0.000 0.797 56 A CB 0.365 19.351 19.000 -0.025 0.000 1.047 56 A HN 0.815 nan 8.150 nan 0.000 0.494 57 N N 0.907 119.604 118.700 -0.006 0.000 2.949 57 N HA 0.263 5.002 4.740 -0.001 0.000 0.243 57 N C -1.024 174.486 175.510 0.001 0.000 1.113 57 N CA -0.215 52.837 53.050 0.002 0.000 0.980 57 N CB 0.147 38.635 38.487 0.001 0.000 1.256 57 N HN 0.530 nan 8.380 nan 0.000 0.508 58 I N 1.565 122.135 120.570 0.001 0.000 2.530 58 I HA 0.743 4.913 4.170 -0.001 0.000 0.297 58 I C -1.141 174.990 176.117 0.024 0.000 1.011 58 I CA -0.805 60.495 61.300 0.002 0.000 1.107 58 I CB 1.479 39.462 38.000 -0.027 0.000 1.285 58 I HN 0.419 nan 8.210 nan 0.000 0.436 59 A N 6.772 129.622 122.820 0.049 0.000 2.374 59 A HA 0.758 5.078 4.320 -0.001 0.000 0.317 59 A C -1.740 175.943 177.584 0.165 0.000 1.094 59 A CA -0.472 51.614 52.037 0.082 0.000 0.765 59 A CB 1.335 20.368 19.000 0.055 0.000 1.268 59 A HN 0.570 nan 8.150 nan 0.000 0.438 60 F N 2.564 122.501 119.950 -0.022 0.000 2.507 60 F HA 0.621 5.148 4.527 0.000 0.000 0.328 60 F C -1.024 174.763 175.800 -0.022 0.000 1.136 60 F CA -1.653 56.332 58.000 -0.025 0.000 0.930 60 F CB 1.143 40.123 39.000 -0.033 0.000 1.166 60 F HN 0.423 nan 8.300 nan 0.000 0.436 61 I N 6.542 127.063 120.570 -0.082 0.000 2.291 61 I HA 0.649 4.818 4.170 -0.001 0.000 0.290 61 I C -0.157 175.681 176.117 -0.466 0.000 1.050 61 I CA -0.239 60.932 61.300 -0.215 0.000 1.245 61 I CB 0.451 38.412 38.000 -0.066 0.000 1.405 61 I HN 0.767 nan 8.210 nan 0.000 0.478 62 A N 5.422 127.897 122.820 -0.576 0.000 2.610 62 A HA 0.750 5.069 4.320 -0.001 0.000 0.291 62 A C -1.607 175.775 177.584 -0.336 0.000 1.086 62 A CA -0.459 51.222 52.037 -0.593 0.000 0.677 62 A CB 1.643 19.914 19.000 -1.216 0.000 1.278 62 A HN 0.615 nan 8.150 nan 0.000 0.414 63 C N 0.449 119.619 119.300 -0.218 0.000 2.441 63 C HA 0.868 5.328 4.460 -0.001 0.000 0.318 63 C C 0.612 175.547 174.990 -0.092 0.000 1.222 63 C CA -0.254 58.684 59.018 -0.132 0.000 1.474 63 C CB 1.152 28.840 27.740 -0.088 0.000 2.125 63 C HN 0.904 nan 8.230 nan 0.000 0.479 64 T N 1.170 115.682 114.554 -0.071 0.000 2.950 64 T HA 0.726 5.076 4.350 -0.001 0.000 0.288 64 T C 0.443 175.136 174.700 -0.010 0.000 1.035 64 T CA 0.003 62.086 62.100 -0.029 0.000 1.028 64 T CB 1.501 70.347 68.868 -0.038 0.000 1.109 64 T HN 0.923 nan 8.240 nan 0.000 0.514 65 G N 0.156 108.967 108.800 0.017 0.000 2.537 65 G HA2 0.380 4.339 3.960 -0.001 0.000 0.297 65 G HA3 0.380 4.339 3.960 -0.001 0.000 0.297 65 G C -0.103 174.810 174.900 0.021 0.000 1.310 65 G CA -0.618 44.495 45.100 0.021 0.000 1.027 65 G HN 0.744 nan 8.290 nan 0.000 0.505 66 D N -0.688 119.725 120.400 0.022 0.000 2.460 66 D HA 0.089 4.729 4.640 -0.001 0.000 0.229 66 D C 0.059 176.378 176.300 0.032 0.000 1.170 66 D CA -0.467 53.546 54.000 0.022 0.000 0.827 66 D CB -0.160 40.648 40.800 0.014 0.000 0.973 66 D HN 0.308 nan 8.370 nan 0.000 0.496 67 D N -0.514 119.912 120.400 0.044 0.000 2.380 67 D HA 0.058 4.698 4.640 -0.001 0.000 0.254 67 D C 1.063 177.397 176.300 0.058 0.000 1.288 67 D CA -0.626 53.405 54.000 0.052 0.000 1.008 67 D CB 0.298 41.137 40.800 0.065 0.000 1.099 67 D HN -0.155 nan 8.370 nan 0.000 0.537 68 S N -1.017 114.720 115.700 0.062 0.000 2.383 68 S HA -0.113 4.357 4.470 -0.001 0.000 0.227 68 S C 1.821 176.481 174.600 0.101 0.000 1.026 68 S CA 0.261 58.502 58.200 0.068 0.000 0.981 68 S CB -0.402 62.833 63.200 0.059 0.000 0.818 68 S HN 0.507 nan 8.310 nan 0.000 0.472 69 I N 1.825 122.468 120.570 0.123 0.000 2.315 69 I HA -0.064 4.106 4.170 -0.001 0.000 0.248 69 I C 2.184 178.432 176.117 0.218 0.000 1.117 69 I CA 1.177 62.603 61.300 0.209 0.000 1.404 69 I CB -0.771 37.337 38.000 0.179 0.000 1.071 69 I HN 0.285 nan 8.210 nan 0.000 0.419 70 G N -0.183 108.694 108.800 0.128 0.000 2.433 70 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 70 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 70 G C 1.478 176.398 174.900 0.034 0.000 1.186 70 G CA 0.627 45.771 45.100 0.073 0.000 0.779 70 G HN 0.414 nan 8.290 nan 0.000 0.543 71 E N 0.819 121.044 120.200 0.043 0.000 2.333 71 E HA -0.099 4.250 4.350 -0.001 0.000 0.198 71 E C 2.553 179.167 176.600 0.024 0.000 1.007 71 E CA 1.313 57.728 56.400 0.025 0.000 0.845 71 E CB -0.065 29.654 29.700 0.030 0.000 0.766 71 E HN 0.619 nan 8.360 nan 0.000 0.507 72 S N -0.674 115.058 115.700 0.053 0.000 2.559 72 S HA 0.100 4.570 4.470 -0.001 0.000 0.226 72 S C 1.702 176.256 174.600 -0.076 0.000 1.000 72 S CA -0.127 58.105 58.200 0.055 0.000 0.948 72 S CB 0.560 63.852 63.200 0.153 0.000 0.870 72 S HN 0.054 nan 8.310 nan 0.000 0.497 73 V N 2.203 121.952 119.914 -0.275 0.000 2.591 73 V HA 0.075 4.195 4.120 -0.001 0.000 0.249 73 V C 2.491 178.347 176.094 -0.396 0.000 1.053 73 V CA 1.315 63.129 62.300 -0.810 0.000 1.068 73 V CB -0.459 30.877 31.823 -0.811 0.000 0.689 73 V HN 0.466 nan 8.190 nan 0.000 0.462 74 R N -0.514 119.874 120.500 -0.187 0.000 2.081 74 R HA -0.204 4.136 4.340 -0.001 0.000 0.235 74 R C 2.331 178.586 176.300 -0.074 0.000 1.131 74 R CA 1.999 58.041 56.100 -0.097 0.000 0.960 74 R CB -0.342 29.925 30.300 -0.057 0.000 0.856 74 R HN 0.498 nan 8.270 nan 0.000 0.436 75 Q N 0.271 120.031 119.800 -0.066 0.000 2.124 75 Q HA -0.206 4.134 4.340 -0.001 0.000 0.202 75 Q C 2.060 178.043 176.000 -0.029 0.000 0.977 75 Q CA 1.574 57.361 55.803 -0.027 0.000 0.850 75 Q CB -0.021 28.715 28.738 -0.003 0.000 0.901 75 Q HN 0.267 nan 8.270 nan 0.000 0.429 76 Q N 0.152 119.902 119.800 -0.084 0.000 2.079 76 Q HA -0.103 4.237 4.340 -0.001 0.000 0.200 76 Q C 1.689 177.658 176.000 -0.051 0.000 0.974 76 Q CA 1.194 56.963 55.803 -0.057 0.000 0.840 76 Q CB -0.047 28.628 28.738 -0.104 0.000 0.898 76 Q HN 0.397 nan 8.270 nan 0.000 0.430 77 L N -0.077 121.087 121.223 -0.098 0.000 2.141 77 L HA -0.085 4.254 4.340 -0.001 0.000 0.209 77 L C 2.457 179.325 176.870 -0.003 0.000 1.094 77 L CA 0.822 55.631 54.840 -0.051 0.000 0.763 77 L CB -0.645 41.406 42.059 -0.015 0.000 0.908 77 L HN 0.318 nan 8.230 nan 0.000 0.437 78 A N 0.126 122.951 122.820 0.008 0.000 1.972 78 A HA -0.211 4.108 4.320 -0.001 0.000 0.219 78 A C 2.413 180.030 177.584 0.055 0.000 1.169 78 A CA 2.093 54.148 52.037 0.030 0.000 0.635 78 A CB -0.875 18.139 19.000 0.025 0.000 0.810 78 A HN 0.515 nan 8.150 nan 0.000 0.446 79 T N -3.024 111.573 114.554 0.071 0.000 3.085 79 T HA -0.040 4.310 4.350 -0.001 0.000 0.263 79 T C 0.667 175.499 174.700 0.220 0.000 1.127 79 T CA 1.165 63.342 62.100 0.129 0.000 1.103 79 T CB -0.279 68.667 68.868 0.131 0.000 0.921 79 T HN 0.365 nan 8.240 nan 0.000 0.510 80 D N 1.867 122.338 120.400 0.119 0.000 2.352 80 D HA 0.107 4.747 4.640 -0.001 0.000 0.236 80 D C 0.594 176.887 176.300 -0.013 0.000 1.148 80 D CA 0.035 54.045 54.000 0.015 0.000 0.844 80 D CB -0.361 40.349 40.800 -0.149 0.000 0.933 80 D HN 0.493 nan 8.370 nan 0.000 0.507 81 N N 0.451 119.210 118.700 0.098 0.000 2.861 81 N HA -0.179 4.561 4.740 -0.001 0.000 0.247 81 N C -1.246 174.278 175.510 0.024 0.000 1.117 81 N CA 0.328 53.429 53.050 0.085 0.000 0.703 81 N CB -1.582 36.983 38.487 0.131 0.000 1.052 81 N HN 0.227 nan 8.380 nan 0.000 0.555 82 I N 0.099 120.680 120.570 0.018 0.000 2.436 82 I HA 0.207 4.376 4.170 -0.001 0.000 0.289 82 I C -0.033 176.110 176.117 0.044 0.000 1.010 82 I CA -0.957 60.353 61.300 0.016 0.000 1.098 82 I CB 1.466 39.465 38.000 -0.001 0.000 1.266 82 I HN 0.101 nan 8.210 nan 0.000 0.434 83 D N 7.182 127.611 120.400 0.048 0.000 2.344 83 D HA 0.111 4.751 4.640 -0.001 0.000 0.253 83 D C 0.498 176.836 176.300 0.063 0.000 1.255 83 D CA -0.212 53.816 54.000 0.046 0.000 0.894 83 D CB 0.815 41.637 40.800 0.038 0.000 1.067 83 D HN 0.448 nan 8.370 nan 0.000 0.492 84 I N 0.995 121.596 120.570 0.052 0.000 3.855 84 I HA 0.153 4.323 4.170 -0.001 0.000 0.327 84 I C 1.464 177.583 176.117 0.004 0.000 1.359 84 I CA -0.412 60.915 61.300 0.045 0.000 1.142 84 I CB -0.268 37.754 38.000 0.037 0.000 1.041 84 I HN 0.041 nan 8.210 nan 0.000 0.403 85 T N 2.404 116.960 114.554 0.004 0.000 2.720 85 T HA -0.035 4.315 4.350 -0.001 0.000 0.268 85 T C -0.495 174.188 174.700 -0.028 0.000 1.037 85 T CA 1.918 64.012 62.100 -0.009 0.000 1.144 85 T CB -1.088 67.779 68.868 -0.002 0.000 0.864 85 T HN 0.412 nan 8.240 nan 0.000 0.444 86 P HA 0.259 nan 4.420 nan 0.000 0.257 86 P C -0.527 176.695 177.300 -0.130 0.000 1.325 86 P CA 0.105 63.166 63.100 -0.064 0.000 0.850 86 P CB -0.159 31.514 31.700 -0.045 0.000 1.324 87 V N 0.634 120.463 119.914 -0.142 0.000 2.389 87 V HA 0.135 4.255 4.120 -0.001 0.000 0.264 87 V C 0.650 176.663 176.094 -0.134 0.000 1.049 87 V CA 0.160 62.333 62.300 -0.213 0.000 0.932 87 V CB 0.365 32.071 31.823 -0.195 0.000 1.011 87 V HN 0.060 nan 8.190 nan 0.000 0.475 88 S N 3.992 119.614 115.700 -0.130 0.000 2.616 88 S HA 0.563 5.033 4.470 -0.001 0.000 0.277 88 S C -0.150 174.407 174.600 -0.071 0.000 1.234 88 S CA -0.578 57.572 58.200 -0.083 0.000 1.028 88 S CB 1.887 65.043 63.200 -0.073 0.000 0.988 88 S HN 0.435 nan 8.310 nan 0.000 0.522 89 V N 3.883 123.769 119.914 -0.048 0.000 2.328 89 V HA 0.302 4.421 4.120 -0.001 0.000 0.278 89 V C -0.436 175.644 176.094 -0.024 0.000 1.021 89 V CA -0.626 61.655 62.300 -0.033 0.000 0.838 89 V CB 0.788 32.598 31.823 -0.022 0.000 0.999 89 V HN 0.672 nan 8.190 nan 0.000 0.447 90 I N 5.052 125.609 120.570 -0.020 0.000 2.301 90 I HA 0.325 4.495 4.170 -0.001 0.000 0.292 90 I C 0.600 176.714 176.117 -0.004 0.000 1.046 90 I CA -0.473 60.818 61.300 -0.015 0.000 1.282 90 I CB 0.720 38.710 38.000 -0.017 0.000 1.409 90 I HN 0.550 nan 8.210 nan 0.000 0.484 91 K N 3.935 124.333 120.400 -0.004 0.000 2.350 91 K HA 0.340 4.659 4.320 -0.001 0.000 0.279 91 K C 1.047 177.650 176.600 0.005 0.000 1.027 91 K CA 0.543 56.831 56.287 0.002 0.000 0.969 91 K CB 0.548 33.048 32.500 0.000 0.000 0.954 91 K HN 0.916 nan 8.250 nan 0.000 0.474 92 G N 2.070 110.875 108.800 0.010 0.000 2.143 92 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.249 92 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.249 92 G C -0.297 174.613 174.900 0.017 0.000 0.981 92 G CA 0.046 45.153 45.100 0.012 0.000 0.665 92 G HN 0.610 nan 8.290 nan 0.000 0.528 93 E N -0.431 119.781 120.200 0.019 0.000 2.367 93 E HA 0.592 4.942 4.350 -0.001 0.000 0.273 93 E C -0.689 175.933 176.600 0.037 0.000 0.903 93 E CA -0.659 55.757 56.400 0.027 0.000 0.764 93 E CB 1.832 31.542 29.700 0.016 0.000 1.252 93 E HN 0.101 nan 8.360 nan 0.000 0.446 94 S N 0.558 116.290 115.700 0.054 0.000 2.617 94 S HA 0.314 4.783 4.470 -0.001 0.000 0.283 94 S C -0.266 174.380 174.600 0.077 0.000 1.189 94 S CA -0.597 57.645 58.200 0.070 0.000 1.036 94 S CB 1.372 64.624 63.200 0.086 0.000 1.014 94 S HN 0.383 nan 8.310 nan 0.000 0.522 95 T N 2.500 117.106 114.554 0.087 0.000 2.930 95 T HA 0.312 4.662 4.350 -0.001 0.000 0.306 95 T C 1.017 175.784 174.700 0.112 0.000 1.045 95 T CA -0.203 61.951 62.100 0.091 0.000 1.134 95 T CB 0.333 69.271 68.868 0.116 0.000 0.961 95 T HN 0.725 nan 8.240 nan 0.000 0.545 96 G N 1.236 110.088 108.800 0.086 0.000 2.647 96 G HA2 0.365 4.324 3.960 -0.001 0.000 0.234 96 G HA3 0.365 4.324 3.960 -0.001 0.000 0.234 96 G C -0.525 174.461 174.900 0.143 0.000 1.252 96 G CA -0.365 44.789 45.100 0.089 0.000 0.846 96 G HN 0.636 nan 8.290 nan 0.000 0.589 97 V N 0.288 120.299 119.914 0.161 0.000 3.001 97 V HA 0.821 4.941 4.120 -0.001 0.000 0.314 97 V C 0.203 176.366 176.094 0.115 0.000 1.099 97 V CA -0.302 62.090 62.300 0.153 0.000 0.989 97 V CB 2.044 33.920 31.823 0.088 0.000 1.040 97 V HN 1.274 nan 8.190 nan 0.000 0.434 98 A N 3.764 126.657 122.820 0.121 0.000 2.393 98 A HA 0.890 5.209 4.320 -0.001 0.000 0.306 98 A C -1.419 176.190 177.584 0.042 0.000 1.050 98 A CA -0.501 51.575 52.037 0.065 0.000 0.724 98 A CB 1.264 20.300 19.000 0.060 0.000 1.248 98 A HN 0.720 nan 8.150 nan 0.000 0.424 99 L N 3.317 124.508 121.223 -0.053 0.000 2.298 99 L HA 0.584 4.924 4.340 -0.001 0.000 0.284 99 L C -0.879 175.863 176.870 -0.214 0.000 1.013 99 L CA -0.206 54.556 54.840 -0.130 0.000 0.824 99 L CB 1.203 43.138 42.059 -0.207 0.000 1.221 99 L HN 0.572 nan 8.230 nan 0.000 0.418 100 I N 2.637 123.092 120.570 -0.191 0.000 2.498 100 I HA 0.418 4.588 4.170 -0.001 0.000 0.290 100 I C -1.007 175.020 176.117 -0.149 0.000 1.032 100 I CA -0.500 60.699 61.300 -0.169 0.000 1.073 100 I CB 2.187 40.182 38.000 -0.008 0.000 1.251 100 I HN 0.287 nan 8.210 nan 0.000 0.426 101 F N 5.140 125.185 119.950 0.159 0.000 2.427 101 F HA 0.475 5.002 4.527 -0.000 0.000 0.346 101 F C 0.117 176.146 175.800 0.381 0.000 1.120 101 F CA -1.054 57.106 58.000 0.268 0.000 1.033 101 F CB 1.724 40.944 39.000 0.367 0.000 1.126 101 F HN -0.020 nan 8.300 nan 0.000 0.462 102 V N 4.974 125.164 119.914 0.460 0.000 2.350 102 V HA 0.268 4.388 4.120 -0.001 0.000 0.285 102 V C -0.121 176.033 176.094 0.100 0.000 1.014 102 V CA -0.967 61.509 62.300 0.293 0.000 0.831 102 V CB 0.999 32.932 31.823 0.182 0.000 1.000 102 V HN 0.789 nan 8.190 nan 0.000 0.433 103 N N 4.173 122.783 118.700 -0.149 0.000 2.327 103 N HA 0.240 4.980 4.740 -0.001 0.000 0.257 103 N C 1.410 176.810 175.510 -0.184 0.000 1.281 103 N CA 0.119 52.927 53.050 -0.404 0.000 0.942 103 N CB 0.678 38.587 38.487 -0.964 0.000 1.199 103 N HN 0.428 nan 8.380 nan 0.000 0.532 104 G N -0.939 107.749 108.800 -0.188 0.000 2.443 104 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.219 104 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.219 104 G C 0.829 175.684 174.900 -0.075 0.000 1.131 104 G CA 0.339 45.379 45.100 -0.101 0.000 0.775 104 G HN 0.753 nan 8.290 nan 0.000 0.547 105 E N -0.268 119.876 120.200 -0.093 0.000 2.502 105 E HA 0.248 4.598 4.350 -0.001 0.000 0.194 105 E C 1.805 178.394 176.600 -0.020 0.000 1.062 105 E CA 0.208 56.580 56.400 -0.047 0.000 0.867 105 E CB 0.060 29.737 29.700 -0.038 0.000 0.888 105 E HN 0.409 nan 8.360 nan 0.000 0.510 106 G N 1.996 110.784 108.800 -0.021 0.000 2.175 106 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.244 106 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.244 106 G C 0.210 175.155 174.900 0.074 0.000 0.982 106 G CA 0.356 45.470 45.100 0.024 0.000 0.641 106 G HN 0.281 nan 8.290 nan 0.000 0.527 107 E N 1.502 121.763 120.200 0.103 0.000 2.369 107 E HA 0.567 4.917 4.350 -0.001 0.000 0.255 107 E C 0.670 177.515 176.600 0.410 0.000 1.172 107 E CA -0.177 56.358 56.400 0.225 0.000 0.932 107 E CB 0.336 30.190 29.700 0.257 0.000 1.040 107 E HN 0.596 nan 8.360 nan 0.000 0.454 108 N N -0.011 118.914 118.700 0.376 0.000 2.357 108 N HA 0.478 5.218 4.740 -0.001 0.000 0.284 108 N C -1.403 174.135 175.510 0.047 0.000 1.236 108 N CA -0.672 52.583 53.050 0.342 0.000 0.774 108 N CB 1.697 40.294 38.487 0.183 0.000 1.534 108 N HN 0.291 nan 8.380 nan 0.000 0.478 109 V N -1.750 118.114 119.914 -0.083 0.000 2.588 109 V HA 0.720 4.840 4.120 -0.001 0.000 0.304 109 V C -0.770 175.257 176.094 -0.112 0.000 1.042 109 V CA -0.688 61.476 62.300 -0.227 0.000 0.877 109 V CB 0.963 32.519 31.823 -0.446 0.000 0.996 109 V HN 0.692 nan 8.190 nan 0.000 0.425 110 I N 4.353 124.866 120.570 -0.095 0.000 2.498 110 I HA 0.805 4.975 4.170 -0.001 0.000 0.290 110 I C 0.465 176.539 176.117 -0.073 0.000 1.032 110 I CA -0.624 60.629 61.300 -0.078 0.000 1.073 110 I CB 2.338 40.318 38.000 -0.034 0.000 1.251 110 I HN 0.906 nan 8.210 nan 0.000 0.426 111 G N 7.125 115.876 108.800 -0.082 0.000 2.644 111 G HA2 0.711 4.670 3.960 -0.001 0.000 0.300 111 G HA3 0.711 4.670 3.960 -0.001 0.000 0.300 111 G C -0.794 174.090 174.900 -0.027 0.000 1.395 111 G CA -0.451 44.615 45.100 -0.057 0.000 0.964 111 G HN 0.651 nan 8.290 nan 0.000 0.511 112 I N -0.113 120.459 120.570 0.003 0.000 2.607 112 I HA 0.792 4.962 4.170 -0.001 0.000 0.305 112 I C -0.934 175.230 176.117 0.077 0.000 0.995 112 I CA -1.331 59.989 61.300 0.033 0.000 1.148 112 I CB 2.486 40.499 38.000 0.023 0.000 1.323 112 I HN 0.487 nan 8.210 nan 0.000 0.461 113 H N 3.567 122.628 119.070 -0.014 0.000 2.727 113 H HA 0.638 5.194 4.556 -0.000 0.000 0.330 113 H C 0.380 175.709 175.328 0.002 0.000 0.986 113 H CA 0.002 56.043 56.048 -0.013 0.000 1.251 113 H CB 2.084 31.833 29.762 -0.022 0.000 1.493 113 H HN 0.846 nan 8.280 nan 0.000 0.515 114 A N 4.319 126.895 122.820 -0.406 0.000 1.884 114 A HA 0.066 4.386 4.320 -0.001 0.000 0.219 114 A C 1.951 179.374 177.584 -0.268 0.000 1.197 114 A CA 1.812 53.673 52.037 -0.292 0.000 0.637 114 A CB -1.409 17.439 19.000 -0.254 0.000 0.827 114 A HN 1.418 nan 8.150 nan 0.000 0.450 115 G N -1.806 106.724 108.800 -0.450 0.000 2.596 115 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.295 115 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.295 115 G C 1.281 176.136 174.900 -0.075 0.000 1.240 115 G CA 1.740 46.773 45.100 -0.110 0.000 0.985 115 G HN 1.672 nan 8.290 nan 0.000 0.555 116 A N -0.161 122.647 122.820 -0.022 0.000 2.168 116 A HA 0.082 4.402 4.320 -0.001 0.000 0.215 116 A C 2.095 179.657 177.584 -0.038 0.000 1.152 116 A CA 1.877 53.900 52.037 -0.023 0.000 0.716 116 A CB -0.417 18.579 19.000 -0.007 0.000 0.794 116 A HN 0.604 nan 8.150 nan 0.000 0.465 117 N N 0.879 119.554 118.700 -0.041 0.000 2.289 117 N HA -0.114 4.625 4.740 -0.001 0.000 0.184 117 N C 1.705 177.185 175.510 -0.049 0.000 1.016 117 N CA 1.277 54.302 53.050 -0.041 0.000 0.872 117 N CB -0.352 38.118 38.487 -0.028 0.000 0.973 117 N HN 0.495 nan 8.380 nan 0.000 0.433 118 A N 0.453 123.235 122.820 -0.064 0.000 2.172 118 A HA 0.158 4.478 4.320 -0.001 0.000 0.216 118 A C 2.001 179.559 177.584 -0.044 0.000 1.154 118 A CA 1.272 53.274 52.037 -0.058 0.000 0.701 118 A CB -0.206 18.751 19.000 -0.071 0.000 0.789 118 A HN 0.280 nan 8.150 nan 0.000 0.465 119 A N -1.013 121.781 122.820 -0.042 0.000 2.275 119 A HA 0.425 4.745 4.320 -0.001 0.000 0.212 119 A C 0.788 178.349 177.584 -0.039 0.000 1.201 119 A CA -0.277 51.739 52.037 -0.036 0.000 0.843 119 A CB -0.278 18.703 19.000 -0.032 0.000 0.873 119 A HN 0.460 nan 8.150 nan 0.000 0.492 120 L N 2.547 123.743 121.223 -0.045 0.000 2.515 120 L HA 0.222 4.561 4.340 -0.001 0.000 0.281 120 L C 0.414 177.263 176.870 -0.035 0.000 1.131 120 L CA -0.271 54.539 54.840 -0.049 0.000 0.905 120 L CB 0.371 42.395 42.059 -0.057 0.000 1.246 120 L HN 0.464 nan 8.230 nan 0.000 0.463 121 S N 3.810 119.491 115.700 -0.032 0.000 2.766 121 S HA 0.618 5.088 4.470 -0.001 0.000 0.307 121 S C -2.115 172.473 174.600 -0.020 0.000 1.121 121 S CA -1.331 56.855 58.200 -0.024 0.000 0.980 121 S CB 1.472 64.659 63.200 -0.021 0.000 1.159 121 S HN 0.345 nan 8.310 nan 0.000 0.546 122 P HA 0.077 nan 4.420 nan 0.000 0.220 122 P C 1.378 178.671 177.300 -0.012 0.000 1.148 122 P CA 1.607 64.700 63.100 -0.011 0.000 0.803 122 P CB -0.254 31.441 31.700 -0.009 0.000 0.782 123 A N -0.322 122.490 122.820 -0.013 0.000 1.898 123 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 123 A C 2.176 179.750 177.584 -0.016 0.000 1.181 123 A CA 1.208 53.237 52.037 -0.013 0.000 0.620 123 A CB -1.527 17.465 19.000 -0.013 0.000 0.819 123 A HN 0.092 nan 8.150 nan 0.000 0.442 124 L N -0.336 120.874 121.223 -0.022 0.000 2.141 124 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 124 L C 2.463 179.318 176.870 -0.025 0.000 1.094 124 L CA 0.892 55.716 54.840 -0.028 0.000 0.763 124 L CB -0.611 41.424 42.059 -0.039 0.000 0.908 124 L HN 0.244 nan 8.230 nan 0.000 0.437 125 V N 0.073 119.974 119.914 -0.021 0.000 2.358 125 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 125 V C 2.458 178.547 176.094 -0.009 0.000 1.047 125 V CA 1.867 64.158 62.300 -0.014 0.000 1.035 125 V CB -0.364 31.454 31.823 -0.009 0.000 0.658 125 V HN 0.420 nan 8.190 nan 0.000 0.452 126 E N 0.965 121.160 120.200 -0.009 0.000 2.204 126 E HA -0.115 4.235 4.350 -0.001 0.000 0.194 126 E C 1.960 178.556 176.600 -0.006 0.000 0.989 126 E CA 1.289 57.686 56.400 -0.005 0.000 0.824 126 E CB -0.327 29.370 29.700 -0.004 0.000 0.756 126 E HN 0.531 nan 8.360 nan 0.000 0.477 127 A N 0.023 122.837 122.820 -0.010 0.000 2.119 127 A HA -0.055 4.264 4.320 -0.001 0.000 0.217 127 A C 1.510 179.088 177.584 -0.010 0.000 1.153 127 A CA 0.765 52.796 52.037 -0.011 0.000 0.692 127 A CB -0.068 18.923 19.000 -0.015 0.000 0.799 127 A HN 0.156 nan 8.150 nan 0.000 0.458 128 Q N -0.662 119.132 119.800 -0.010 0.000 2.201 128 Q HA 0.125 4.464 4.340 -0.001 0.000 0.217 128 Q C 1.452 177.451 176.000 -0.001 0.000 0.860 128 Q CA -0.046 55.753 55.803 -0.007 0.000 0.984 128 Q CB 0.093 28.826 28.738 -0.010 0.000 1.095 128 Q HN 0.808 nan 8.270 nan 0.000 0.477 129 R N 1.437 121.937 120.500 -0.001 0.000 2.094 129 R HA -0.205 4.135 4.340 -0.001 0.000 0.239 129 R C 1.795 178.097 176.300 0.003 0.000 1.137 129 R CA 1.963 58.064 56.100 0.003 0.000 0.943 129 R CB 0.082 30.383 30.300 0.002 0.000 0.850 129 R HN 0.266 nan 8.270 nan 0.000 0.433 130 E N 0.060 120.261 120.200 0.001 0.000 2.110 130 E HA -0.251 4.099 4.350 -0.001 0.000 0.193 130 E C 2.205 178.806 176.600 0.002 0.000 0.988 130 E CA 1.180 57.581 56.400 0.001 0.000 0.804 130 E CB -0.049 29.651 29.700 -0.000 0.000 0.745 130 E HN 0.319 nan 8.360 nan 0.000 0.458 131 R N 0.352 120.854 120.500 0.003 0.000 2.081 131 R HA -0.115 4.224 4.340 -0.001 0.000 0.235 131 R C 2.307 178.612 176.300 0.008 0.000 1.131 131 R CA 1.403 57.506 56.100 0.005 0.000 0.960 131 R CB -0.169 30.135 30.300 0.006 0.000 0.856 131 R HN 0.239 nan 8.270 nan 0.000 0.436 132 I N 0.552 121.127 120.570 0.009 0.000 2.286 132 I HA -0.170 3.999 4.170 -0.001 0.000 0.245 132 I C 2.566 178.688 176.117 0.009 0.000 1.104 132 I CA 1.090 62.398 61.300 0.012 0.000 1.397 132 I CB -0.372 37.636 38.000 0.015 0.000 1.072 132 I HN 0.256 nan 8.210 nan 0.000 0.417 133 A N 1.121 123.945 122.820 0.006 0.000 1.933 133 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 133 A C 1.913 179.496 177.584 -0.001 0.000 1.175 133 A CA 1.835 53.873 52.037 0.002 0.000 0.628 133 A CB -0.574 18.427 19.000 0.001 0.000 0.814 133 A HN 0.418 nan 8.150 nan 0.000 0.444 134 N N 0.073 118.773 118.700 -0.000 0.000 2.467 134 N HA 0.190 4.929 4.740 -0.001 0.000 0.184 134 N C 0.599 176.108 175.510 -0.002 0.000 1.106 134 N CA 0.783 53.832 53.050 -0.002 0.000 0.892 134 N CB -0.332 38.154 38.487 -0.001 0.000 0.969 134 N HN 0.509 nan 8.380 nan 0.000 0.454 135 A N -0.244 122.577 122.820 0.001 0.000 2.287 135 A HA 0.449 4.769 4.320 -0.001 0.000 0.273 135 A C 1.156 178.738 177.584 -0.003 0.000 1.091 135 A CA -0.297 51.740 52.037 0.001 0.000 0.817 135 A CB 0.545 19.549 19.000 0.007 0.000 1.069 135 A HN 0.131 nan 8.150 nan 0.000 0.492 136 S N -0.638 115.058 115.700 -0.006 0.000 2.470 136 S HA 0.441 4.911 4.470 -0.001 0.000 0.222 136 S C 0.679 175.275 174.600 -0.007 0.000 1.024 136 S CA 0.698 58.892 58.200 -0.010 0.000 0.931 136 S CB 0.060 63.251 63.200 -0.015 0.000 0.791 136 S HN 1.227 nan 8.310 nan 0.000 0.513 137 A N 0.790 123.608 122.820 -0.004 0.000 2.556 137 A HA 0.788 5.108 4.320 -0.001 0.000 0.294 137 A C -1.906 175.683 177.584 0.007 0.000 1.091 137 A CA -0.599 51.438 52.037 -0.000 0.000 0.704 137 A CB 1.352 20.346 19.000 -0.009 0.000 1.300 137 A HN 0.219 nan 8.150 nan 0.000 0.406 138 L N 1.462 122.694 121.223 0.014 0.000 2.404 138 L HA 0.775 5.114 4.340 -0.001 0.000 0.272 138 L C -1.717 175.166 176.870 0.022 0.000 0.980 138 L CA -0.549 54.304 54.840 0.023 0.000 0.836 138 L CB 1.497 43.573 42.059 0.029 0.000 1.238 138 L HN 0.728 nan 8.230 nan 0.000 0.408 139 L N 5.904 127.141 121.223 0.023 0.000 2.313 139 L HA 0.792 5.131 4.340 -0.001 0.000 0.283 139 L C -1.057 175.834 176.870 0.035 0.000 1.013 139 L CA -0.049 54.802 54.840 0.019 0.000 0.816 139 L CB 1.449 43.506 42.059 -0.002 0.000 1.236 139 L HN 0.779 nan 8.230 nan 0.000 0.419 140 M N 3.518 123.139 119.600 0.036 0.000 2.631 140 M HA 0.574 5.054 4.480 -0.001 0.000 0.288 140 M C -1.000 175.323 176.300 0.038 0.000 1.260 140 M CA -0.671 54.655 55.300 0.044 0.000 0.842 140 M CB 2.527 35.150 32.600 0.038 0.000 1.743 140 M HN 0.583 nan 8.290 nan 0.000 0.461 141 Q N 0.296 120.122 119.800 0.042 0.000 3.146 141 Q HA 0.633 4.973 4.340 -0.001 0.000 0.318 141 Q C -0.794 175.223 176.000 0.029 0.000 0.992 141 Q CA -0.786 55.039 55.803 0.035 0.000 0.809 141 Q CB 1.246 30.007 28.738 0.038 0.000 1.490 141 Q HN 0.650 nan 8.270 nan 0.000 0.493 142 L N 1.101 122.337 121.223 0.023 0.000 3.094 142 L HA 0.365 4.705 4.340 -0.001 0.000 0.254 142 L C 0.002 176.880 176.870 0.012 0.000 1.298 142 L CA 0.266 55.115 54.840 0.015 0.000 1.050 142 L CB 0.240 42.305 42.059 0.009 0.000 1.420 142 L HN 0.630 nan 8.230 nan 0.000 0.548 143 E N -0.584 119.628 120.200 0.019 0.000 2.501 143 E HA 0.185 4.535 4.350 -0.001 0.000 0.200 143 E C -0.043 176.562 176.600 0.009 0.000 1.016 143 E CA -0.151 56.258 56.400 0.015 0.000 0.921 143 E CB 0.925 30.641 29.700 0.026 0.000 1.034 143 E HN 0.227 nan 8.360 nan 0.000 0.468 144 S N 1.351 117.056 115.700 0.008 0.000 2.607 144 S HA 0.438 4.908 4.470 -0.001 0.000 0.303 144 S C -2.560 172.035 174.600 -0.008 0.000 1.086 144 S CA -1.431 56.769 58.200 -0.001 0.000 0.995 144 S CB 1.524 64.729 63.200 0.008 0.000 1.084 144 S HN -0.075 nan 8.310 nan 0.000 0.507 145 P HA 0.054 nan 4.420 nan 0.000 0.264 145 P C 0.725 178.019 177.300 -0.010 0.000 1.183 145 P CA -0.246 62.844 63.100 -0.016 0.000 0.763 145 P CB 0.343 32.031 31.700 -0.020 0.000 0.807 146 L N 4.192 125.409 121.223 -0.009 0.000 2.127 146 L HA -0.213 4.127 4.340 -0.001 0.000 0.211 146 L C 1.658 178.523 176.870 -0.007 0.000 1.089 146 L CA 2.023 56.859 54.840 -0.007 0.000 0.757 146 L CB -0.898 41.156 42.059 -0.008 0.000 0.899 146 L HN 0.299 nan 8.230 nan 0.000 0.434 147 E N -0.936 119.259 120.200 -0.009 0.000 2.077 147 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 147 E C 2.167 178.762 176.600 -0.007 0.000 0.989 147 E CA 1.479 57.874 56.400 -0.009 0.000 0.800 147 E CB -0.486 29.209 29.700 -0.010 0.000 0.746 147 E HN 0.431 nan 8.360 nan 0.000 0.452 148 S N 0.139 115.834 115.700 -0.008 0.000 2.406 148 S HA -0.069 4.400 4.470 -0.001 0.000 0.228 148 S C 2.107 176.706 174.600 -0.001 0.000 1.020 148 S CA 0.739 58.934 58.200 -0.007 0.000 0.965 148 S CB -0.135 63.058 63.200 -0.012 0.000 0.798 148 S HN 0.051 nan 8.310 nan 0.000 0.488 149 V N 2.237 122.152 119.914 0.001 0.000 2.427 149 V HA -0.169 3.951 4.120 -0.001 0.000 0.248 149 V C 2.197 178.293 176.094 0.004 0.000 1.051 149 V CA 1.586 63.890 62.300 0.006 0.000 1.048 149 V CB -0.637 31.190 31.823 0.007 0.000 0.666 149 V HN 0.485 nan 8.190 nan 0.000 0.456 150 M N -0.302 119.297 119.600 -0.001 0.000 2.099 150 M HA -0.095 4.384 4.480 -0.001 0.000 0.262 150 M C 2.457 178.756 176.300 -0.001 0.000 1.067 150 M CA 2.013 57.310 55.300 -0.005 0.000 1.124 150 M CB -0.597 31.997 32.600 -0.009 0.000 1.353 150 M HN 0.379 nan 8.290 nan 0.000 0.410 151 A N 0.660 123.480 122.820 -0.000 0.000 1.883 151 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 151 A C 2.376 179.966 177.584 0.010 0.000 1.186 151 A CA 2.204 54.243 52.037 0.003 0.000 0.624 151 A CB -1.073 17.927 19.000 0.000 0.000 0.822 151 A HN 0.507 nan 8.150 nan 0.000 0.444 152 A N -0.335 122.491 122.820 0.011 0.000 1.902 152 A HA 0.177 4.497 4.320 -0.001 0.000 0.217 152 A C 2.509 180.109 177.584 0.027 0.000 1.181 152 A CA 2.082 54.129 52.037 0.017 0.000 0.623 152 A CB -1.032 17.979 19.000 0.017 0.000 0.818 152 A HN 1.124 nan 8.150 nan 0.000 0.443 153 A N -0.037 122.798 122.820 0.025 0.000 1.908 153 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 153 A C 2.095 179.711 177.584 0.053 0.000 1.181 153 A CA 2.253 54.310 52.037 0.033 0.000 0.627 153 A CB -0.463 18.544 19.000 0.012 0.000 0.818 153 A HN 0.570 nan 8.150 nan 0.000 0.445 154 K N -0.187 120.234 120.400 0.035 0.000 2.026 154 K HA -0.063 4.256 4.320 -0.001 0.000 0.208 154 K C 1.718 178.366 176.600 0.079 0.000 1.048 154 K CA 1.751 58.069 56.287 0.052 0.000 0.929 154 K CB -0.367 32.148 32.500 0.025 0.000 0.713 154 K HN 0.474 nan 8.250 nan 0.000 0.439 155 I N 0.687 121.288 120.570 0.051 0.000 2.361 155 I HA -0.241 3.928 4.170 -0.001 0.000 0.251 155 I C 2.347 178.492 176.117 0.047 0.000 1.133 155 I CA 1.028 62.353 61.300 0.042 0.000 1.413 155 I CB -0.296 37.719 38.000 0.025 0.000 1.073 155 I HN 0.314 nan 8.210 nan 0.000 0.424 156 A N 0.128 122.984 122.820 0.059 0.000 1.872 156 A HA -0.279 4.041 4.320 -0.001 0.000 0.214 156 A C 2.177 179.801 177.584 0.067 0.000 1.187 156 A CA 1.855 53.923 52.037 0.053 0.000 0.614 156 A CB -0.933 18.099 19.000 0.053 0.000 0.826 156 A HN 0.462 nan 8.150 nan 0.000 0.442 157 H N -0.057 119.016 119.070 0.005 0.000 2.289 157 H HA -0.183 4.372 4.556 -0.001 0.000 0.296 157 H C 2.176 177.506 175.328 0.004 0.000 1.091 157 H CA 2.445 58.496 56.048 0.005 0.000 1.274 157 H CB -0.221 29.545 29.762 0.006 0.000 1.364 157 H HN 0.590 nan 8.280 nan 0.000 0.490 158 Q N -0.431 119.397 119.800 0.048 0.000 2.135 158 Q HA -0.129 4.211 4.340 -0.001 0.000 0.204 158 Q C 1.317 177.281 176.000 -0.060 0.000 0.981 158 Q CA 1.447 57.239 55.803 -0.018 0.000 0.856 158 Q CB 0.076 28.829 28.738 0.025 0.000 0.902 158 Q HN 0.585 nan 8.270 nan 0.000 0.425 159 N N -0.217 118.460 118.700 -0.038 0.000 2.230 159 N HA 0.059 4.799 4.740 -0.001 0.000 0.202 159 N C -0.571 174.912 175.510 -0.044 0.000 1.119 159 N CA 0.135 53.166 53.050 -0.033 0.000 0.851 159 N CB 0.680 39.160 38.487 -0.012 0.000 0.990 159 N HN 0.144 nan 8.380 nan 0.000 0.497 160 K N -0.082 120.274 120.400 -0.073 0.000 3.291 160 K HA -0.099 4.221 4.320 -0.001 0.000 0.290 160 K C -0.712 175.866 176.600 -0.036 0.000 1.235 160 K CA 0.500 56.744 56.287 -0.072 0.000 0.848 160 K CB -2.126 30.337 32.500 -0.063 0.000 1.295 160 K HN 0.113 nan 8.250 nan 0.000 0.497 161 T N 1.730 116.273 114.554 -0.018 0.000 2.761 161 T HA 0.340 4.690 4.350 -0.001 0.000 0.296 161 T C 0.913 175.619 174.700 0.009 0.000 0.934 161 T CA -0.415 61.684 62.100 -0.002 0.000 1.091 161 T CB 0.673 69.546 68.868 0.007 0.000 0.896 161 T HN 0.110 nan 8.240 nan 0.000 0.515 162 I N 3.216 123.790 120.570 0.007 0.000 2.775 162 I HA 0.003 4.173 4.170 -0.001 0.000 0.290 162 I C 0.216 176.349 176.117 0.026 0.000 1.203 162 I CA 0.053 61.363 61.300 0.017 0.000 1.433 162 I CB 0.372 38.376 38.000 0.006 0.000 1.354 162 I HN 0.262 nan 8.210 nan 0.000 0.579 163 V N 6.954 126.893 119.914 0.042 0.000 2.347 163 V HA 0.549 4.669 4.120 -0.001 0.000 0.280 163 V C 0.354 176.469 176.094 0.034 0.000 1.021 163 V CA -0.460 61.865 62.300 0.042 0.000 0.847 163 V CB 1.117 32.975 31.823 0.058 0.000 0.990 163 V HN 0.830 nan 8.190 nan 0.000 0.444 164 A N 5.782 128.617 122.820 0.026 0.000 2.318 164 A HA 0.882 5.202 4.320 -0.001 0.000 0.324 164 A C -1.120 176.480 177.584 0.026 0.000 1.170 164 A CA -0.514 51.537 52.037 0.023 0.000 0.810 164 A CB 1.243 20.249 19.000 0.011 0.000 1.198 164 A HN 0.786 nan 8.150 nan 0.000 0.484 165 L N 2.724 123.965 121.223 0.030 0.000 2.376 165 L HA 0.417 4.756 4.340 -0.001 0.000 0.275 165 L C -0.369 176.523 176.870 0.037 0.000 0.987 165 L CA -0.298 54.560 54.840 0.030 0.000 0.828 165 L CB 1.565 43.638 42.059 0.024 0.000 1.249 165 L HN 0.762 nan 8.230 nan 0.000 0.409 166 N N 6.812 125.536 118.700 0.039 0.000 2.558 166 N HA 0.320 5.060 4.740 -0.001 0.000 0.233 166 N C -2.248 173.282 175.510 0.035 0.000 1.038 166 N CA -1.554 51.524 53.050 0.048 0.000 0.934 166 N CB 1.332 39.852 38.487 0.055 0.000 1.175 166 N HN 0.445 nan 8.380 nan 0.000 0.512 167 P HA 0.108 nan 4.420 nan 0.000 0.232 167 P C -1.077 176.232 177.300 0.016 0.000 1.738 167 P CA 0.057 63.168 63.100 0.018 0.000 0.948 167 P CB -0.253 31.455 31.700 0.013 0.000 1.943 168 A N 2.027 124.858 122.820 0.019 0.000 2.401 168 A HA 0.784 5.104 4.320 -0.001 0.000 0.310 168 A C -2.760 174.833 177.584 0.014 0.000 1.075 168 A CA -2.282 49.764 52.037 0.015 0.000 0.746 168 A CB 1.169 20.181 19.000 0.020 0.000 1.277 168 A HN 0.016 nan 8.150 nan 0.000 0.425 169 P HA 0.325 nan 4.420 nan 0.000 0.272 169 P C 0.100 177.401 177.300 0.002 0.000 1.240 169 P CA 0.035 63.137 63.100 0.004 0.000 0.791 169 P CB 0.418 32.118 31.700 -0.000 0.000 0.978 170 A N 2.323 125.142 122.820 -0.001 0.000 2.587 170 A HA 0.260 4.580 4.320 -0.001 0.000 0.235 170 A C 0.741 178.323 177.584 -0.004 0.000 1.044 170 A CA 0.635 52.670 52.037 -0.003 0.000 0.754 170 A CB -0.675 18.322 19.000 -0.006 0.000 0.968 170 A HN 0.748 nan 8.150 nan 0.000 0.509 171 R N 1.356 121.854 120.500 -0.004 0.000 2.728 171 R HA 0.397 4.737 4.340 -0.001 0.000 0.274 171 R C -1.395 174.901 176.300 -0.006 0.000 1.032 171 R CA -0.854 55.243 56.100 -0.005 0.000 0.866 171 R CB 0.753 31.050 30.300 -0.005 0.000 1.263 171 R HN 0.617 nan 8.270 nan 0.000 0.475 172 E N 1.409 121.604 120.200 -0.007 0.000 2.366 172 E HA 0.320 4.670 4.350 -0.001 0.000 0.266 172 E C -0.515 176.081 176.600 -0.007 0.000 1.051 172 E CA -0.346 56.050 56.400 -0.007 0.000 0.884 172 E CB 1.013 30.708 29.700 -0.008 0.000 1.006 172 E HN 0.260 nan 8.360 nan 0.000 0.417 173 L N 3.201 124.420 121.223 -0.008 0.000 2.370 173 L HA 0.490 4.830 4.340 -0.001 0.000 0.266 173 L C -2.159 174.706 176.870 -0.010 0.000 1.002 173 L CA -2.266 52.569 54.840 -0.008 0.000 0.818 173 L CB 1.718 43.772 42.059 -0.008 0.000 1.325 173 L HN 0.419 nan 8.230 nan 0.000 0.418 174 P HA 0.163 nan 4.420 nan 0.000 0.277 174 P C -0.511 176.780 177.300 -0.015 0.000 1.240 174 P CA -0.383 62.710 63.100 -0.012 0.000 0.798 174 P CB 1.240 32.933 31.700 -0.013 0.000 0.979 175 D N 0.893 121.283 120.400 -0.016 0.000 2.182 175 D HA -0.155 4.485 4.640 -0.001 0.000 0.201 175 D C 1.598 177.881 176.300 -0.028 0.000 0.986 175 D CA 1.460 55.449 54.000 -0.018 0.000 0.847 175 D CB -0.174 40.617 40.800 -0.015 0.000 0.942 175 D HN 0.487 nan 8.370 nan 0.000 0.467 176 E N 0.047 120.229 120.200 -0.029 0.000 2.085 176 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 176 E C 1.888 178.458 176.600 -0.051 0.000 0.994 176 E CA 0.488 56.863 56.400 -0.041 0.000 0.801 176 E CB -0.183 29.498 29.700 -0.032 0.000 0.743 176 E HN 0.177 nan 8.360 nan 0.000 0.453 177 L N 0.240 121.442 121.223 -0.036 0.000 2.023 177 L HA -0.065 4.275 4.340 -0.001 0.000 0.205 177 L C 1.897 178.746 176.870 -0.037 0.000 1.073 177 L CA 1.494 56.313 54.840 -0.034 0.000 0.745 177 L CB -0.534 41.514 42.059 -0.019 0.000 0.900 177 L HN 0.153 nan 8.230 nan 0.000 0.435 178 L N -0.016 121.191 121.223 -0.027 0.000 2.021 178 L HA -0.278 4.062 4.340 -0.001 0.000 0.215 178 L C 2.679 179.532 176.870 -0.028 0.000 1.074 178 L CA 1.529 56.357 54.840 -0.021 0.000 0.760 178 L CB -1.162 40.888 42.059 -0.015 0.000 0.889 178 L HN 0.433 nan 8.230 nan 0.000 0.433 179 A N -0.194 122.599 122.820 -0.045 0.000 2.032 179 A HA -0.161 4.159 4.320 -0.001 0.000 0.221 179 A C 2.132 179.641 177.584 -0.126 0.000 1.165 179 A CA 1.467 53.464 52.037 -0.067 0.000 0.645 179 A CB -0.631 18.320 19.000 -0.082 0.000 0.807 179 A HN 0.461 nan 8.150 nan 0.000 0.453 180 L N -0.367 120.769 121.223 -0.145 0.000 2.558 180 L HA 0.080 4.419 4.340 -0.001 0.000 0.225 180 L C -0.127 176.733 176.870 -0.016 0.000 1.128 180 L CA -0.287 54.445 54.840 -0.181 0.000 0.868 180 L CB 0.049 42.011 42.059 -0.161 0.000 1.006 180 L HN 0.080 nan 8.230 nan 0.000 0.454 181 V N 0.115 120.030 119.914 0.001 0.000 2.509 181 V HA 0.092 4.212 4.120 -0.001 0.000 0.284 181 V C 0.539 176.665 176.094 0.054 0.000 1.047 181 V CA -0.290 62.029 62.300 0.031 0.000 0.952 181 V CB 1.746 33.580 31.823 0.019 0.000 0.988 181 V HN 0.143 nan 8.190 nan 0.000 0.469 182 D N 2.878 123.314 120.400 0.061 0.000 2.323 182 D HA 0.241 4.880 4.640 -0.001 0.000 0.218 182 D C 0.280 176.613 176.300 0.057 0.000 0.973 182 D CA 1.058 55.096 54.000 0.064 0.000 0.890 182 D CB 0.972 41.806 40.800 0.057 0.000 1.011 182 D HN 0.400 nan 8.370 nan 0.000 0.499 183 I N 1.361 121.959 120.570 0.046 0.000 2.447 183 I HA 0.354 4.524 4.170 -0.001 0.000 0.287 183 I C -0.821 175.321 176.117 0.041 0.000 1.023 183 I CA -0.596 60.731 61.300 0.044 0.000 1.083 183 I CB 3.072 41.091 38.000 0.032 0.000 1.245 183 I HN -0.210 nan 8.210 nan 0.000 0.434 184 I N 5.218 125.814 120.570 0.043 0.000 2.545 184 I HA 0.434 4.604 4.170 -0.001 0.000 0.292 184 I C -0.211 175.939 176.117 0.056 0.000 1.040 184 I CA -0.178 61.145 61.300 0.039 0.000 1.068 184 I CB 2.083 40.094 38.000 0.019 0.000 1.251 184 I HN 0.676 nan 8.210 nan 0.000 0.424 185 T N 4.375 118.971 114.554 0.069 0.000 3.427 185 T HA 0.494 4.844 4.350 -0.001 0.000 0.306 185 T C -2.642 172.099 174.700 0.068 0.000 1.733 185 T CA -1.689 60.469 62.100 0.097 0.000 1.599 185 T CB 0.204 69.170 68.868 0.163 0.000 0.964 185 T HN 0.264 nan 8.240 nan 0.000 0.701 186 P HA 0.261 nan 4.420 nan 0.000 0.274 186 P C -0.293 177.016 177.300 0.016 0.000 1.246 186 P CA -0.351 62.764 63.100 0.024 0.000 0.795 186 P CB 0.928 32.636 31.700 0.013 0.000 1.006 187 N N -0.017 118.686 118.700 0.004 0.000 2.593 187 N HA 0.117 4.856 4.740 -0.001 0.000 0.304 187 N C 0.832 176.338 175.510 -0.007 0.000 1.296 187 N CA -0.343 52.703 53.050 -0.007 0.000 0.950 187 N CB -0.213 38.267 38.487 -0.012 0.000 1.127 187 N HN 0.326 nan 8.380 nan 0.000 0.587 188 E N -0.965 119.228 120.200 -0.012 0.000 2.076 188 E HA -0.059 4.291 4.350 -0.001 0.000 0.190 188 E C 1.332 177.922 176.600 -0.017 0.000 0.979 188 E CA 1.373 57.763 56.400 -0.017 0.000 0.807 188 E CB -0.269 29.418 29.700 -0.022 0.000 0.761 188 E HN 0.610 nan 8.360 nan 0.000 0.454 189 T N 1.321 115.867 114.554 -0.014 0.000 2.684 189 T HA -0.195 4.155 4.350 -0.001 0.000 0.267 189 T C 1.628 176.321 174.700 -0.011 0.000 1.036 189 T CA 1.557 63.650 62.100 -0.012 0.000 1.148 189 T CB -0.230 68.632 68.868 -0.010 0.000 0.863 189 T HN 0.214 nan 8.240 nan 0.000 0.436 190 E N 0.853 121.048 120.200 -0.008 0.000 2.072 190 E HA -0.021 4.329 4.350 -0.001 0.000 0.191 190 E C 2.496 179.091 176.600 -0.009 0.000 0.985 190 E CA 0.968 57.364 56.400 -0.006 0.000 0.801 190 E CB -0.197 29.503 29.700 0.000 0.000 0.750 190 E HN 0.475 nan 8.360 nan 0.000 0.452 191 A N 1.153 123.966 122.820 -0.011 0.000 1.929 191 A HA -0.218 4.102 4.320 -0.001 0.000 0.216 191 A C 2.044 179.615 177.584 -0.022 0.000 1.176 191 A CA 1.346 53.373 52.037 -0.017 0.000 0.628 191 A CB -0.329 18.659 19.000 -0.019 0.000 0.816 191 A HN 0.223 nan 8.150 nan 0.000 0.444 192 E N -0.288 119.899 120.200 -0.022 0.000 2.031 192 E HA -0.256 4.094 4.350 -0.001 0.000 0.193 192 E C 1.972 178.562 176.600 -0.018 0.000 0.994 192 E CA 1.540 57.927 56.400 -0.023 0.000 0.800 192 E CB -0.084 29.603 29.700 -0.022 0.000 0.752 192 E HN 0.348 nan 8.360 nan 0.000 0.447 193 K N 0.399 120.790 120.400 -0.015 0.000 2.152 193 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 193 K C 1.952 178.545 176.600 -0.012 0.000 1.048 193 K CA 0.997 57.277 56.287 -0.012 0.000 0.933 193 K CB -0.132 32.362 32.500 -0.010 0.000 0.721 193 K HN 0.183 nan 8.250 nan 0.000 0.447 194 L N -0.724 120.491 121.223 -0.013 0.000 2.270 194 L HA -0.009 4.331 4.340 -0.001 0.000 0.210 194 L C 1.805 178.666 176.870 -0.015 0.000 1.104 194 L CA 1.407 56.239 54.840 -0.013 0.000 0.804 194 L CB -0.189 41.862 42.059 -0.014 0.000 0.937 194 L HN 0.305 nan 8.230 nan 0.000 0.450 195 T N -5.832 108.711 114.554 -0.018 0.000 2.975 195 T HA 0.341 4.691 4.350 -0.001 0.000 0.257 195 T C 1.414 176.103 174.700 -0.018 0.000 1.003 195 T CA 0.520 62.608 62.100 -0.019 0.000 0.932 195 T CB 1.153 70.006 68.868 -0.025 0.000 1.087 195 T HN 0.315 nan 8.240 nan 0.000 0.512 196 G N 1.783 110.572 108.800 -0.018 0.000 2.234 196 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.235 196 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.235 196 G C -0.034 174.853 174.900 -0.022 0.000 0.997 196 G CA -0.037 45.053 45.100 -0.018 0.000 0.623 196 G HN 0.647 nan 8.290 nan 0.000 0.514 197 I N 2.305 122.859 120.570 -0.028 0.000 2.297 197 I HA 0.348 4.518 4.170 -0.001 0.000 0.291 197 I C 1.049 177.143 176.117 -0.039 0.000 1.033 197 I CA -0.778 60.501 61.300 -0.035 0.000 1.253 197 I CB 1.175 39.149 38.000 -0.043 0.000 1.396 197 I HN 0.214 nan 8.210 nan 0.000 0.476 198 R N 5.496 125.974 120.500 -0.037 0.000 2.679 198 R HA 0.297 4.637 4.340 -0.001 0.000 0.268 198 R C -1.155 175.114 176.300 -0.052 0.000 1.044 198 R CA -0.026 56.051 56.100 -0.038 0.000 1.105 198 R CB 0.737 31.018 30.300 -0.032 0.000 0.989 198 R HN 0.462 nan 8.270 nan 0.000 0.447 199 V N 4.523 124.405 119.914 -0.052 0.000 2.357 199 V HA 0.146 4.265 4.120 -0.001 0.000 0.281 199 V C 0.397 176.455 176.094 -0.061 0.000 1.015 199 V CA -0.342 61.916 62.300 -0.070 0.000 0.827 199 V CB 1.179 32.957 31.823 -0.074 0.000 1.018 199 V HN 0.995 nan 8.190 nan 0.000 0.432 200 E N 3.598 123.757 120.200 -0.068 0.000 2.465 200 E HA 0.147 4.496 4.350 -0.001 0.000 0.209 200 E C 0.450 177.011 176.600 -0.065 0.000 0.951 200 E CA 0.325 56.693 56.400 -0.054 0.000 0.997 200 E CB 0.693 30.366 29.700 -0.045 0.000 1.025 200 E HN 0.939 nan 8.360 nan 0.000 0.500 201 N N -1.583 117.055 118.700 -0.102 0.000 3.344 201 N HA 0.082 4.822 4.740 -0.001 0.000 0.296 201 N C -0.310 175.062 175.510 -0.230 0.000 1.571 201 N CA -0.431 52.547 53.050 -0.120 0.000 0.844 201 N CB 0.169 38.598 38.487 -0.097 0.000 1.718 201 N HN -0.321 nan 8.380 nan 0.000 0.589 202 D N -0.300 119.936 120.400 -0.272 0.000 2.219 202 D HA -0.062 4.578 4.640 -0.001 0.000 0.205 202 D C 0.817 176.668 176.300 -0.748 0.000 0.970 202 D CA 1.162 54.788 54.000 -0.623 0.000 0.851 202 D CB 0.036 40.608 40.800 -0.379 0.000 0.943 202 D HN 0.632 nan 8.370 nan 0.000 0.488 203 E N 0.554 120.524 120.200 -0.383 0.000 2.046 203 E HA -0.110 4.240 4.350 -0.001 0.000 0.190 203 E C 1.433 177.872 176.600 -0.268 0.000 0.982 203 E CA 0.709 56.942 56.400 -0.278 0.000 0.800 203 E CB 0.091 29.702 29.700 -0.148 0.000 0.756 203 E HN 0.210 nan 8.360 nan 0.000 0.449 204 D N 1.062 121.322 120.400 -0.233 0.000 2.117 204 D HA -0.154 4.486 4.640 -0.001 0.000 0.197 204 D C 1.954 178.103 176.300 -0.253 0.000 0.987 204 D CA 1.334 55.220 54.000 -0.189 0.000 0.829 204 D CB -0.300 40.415 40.800 -0.141 0.000 0.961 204 D HN 0.145 nan 8.370 nan 0.000 0.460 205 A N 1.172 123.754 122.820 -0.396 0.000 1.908 205 A HA -0.087 4.233 4.320 -0.001 0.000 0.218 205 A C 2.324 179.577 177.584 -0.552 0.000 1.181 205 A CA 2.347 54.088 52.037 -0.494 0.000 0.627 205 A CB -0.660 17.923 19.000 -0.694 0.000 0.818 205 A HN 0.257 nan 8.150 nan 0.000 0.445 206 A N -0.629 121.774 122.820 -0.694 0.000 1.968 206 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 206 A C 2.090 179.626 177.584 -0.080 0.000 1.169 206 A CA 1.768 53.652 52.037 -0.255 0.000 0.638 206 A CB -0.366 18.563 19.000 -0.119 0.000 0.812 206 A HN 0.562 nan 8.150 nan 0.000 0.446 207 K N -0.114 120.211 120.400 -0.126 0.000 2.002 207 K HA -0.083 4.237 4.320 -0.001 0.000 0.209 207 K C 2.197 178.769 176.600 -0.046 0.000 1.048 207 K CA 1.226 57.476 56.287 -0.062 0.000 0.930 207 K CB -0.347 32.109 32.500 -0.073 0.000 0.714 207 K HN 0.333 nan 8.250 nan 0.000 0.438 208 A N 1.056 123.831 122.820 -0.075 0.000 1.940 208 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 208 A C 2.306 179.859 177.584 -0.052 0.000 1.176 208 A CA 1.966 53.968 52.037 -0.058 0.000 0.631 208 A CB -0.814 18.146 19.000 -0.066 0.000 0.814 208 A HN 0.509 nan 8.150 nan 0.000 0.446 209 A N -1.124 121.672 122.820 -0.039 0.000 1.972 209 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 209 A C 2.124 179.623 177.584 -0.142 0.000 1.169 209 A CA 2.095 54.081 52.037 -0.086 0.000 0.635 209 A CB -0.430 18.637 19.000 0.111 0.000 0.810 209 A HN 0.529 nan 8.150 nan 0.000 0.446 210 Q N -0.014 119.817 119.800 0.052 0.000 2.119 210 Q HA -0.077 4.263 4.340 -0.001 0.000 0.201 210 Q C 1.851 177.891 176.000 0.067 0.000 0.972 210 Q CA 1.946 57.833 55.803 0.140 0.000 0.847 210 Q CB -0.613 28.201 28.738 0.126 0.000 0.903 210 Q HN 0.360 nan 8.270 nan 0.000 0.433 211 V N 0.502 120.422 119.914 0.011 0.000 2.287 211 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 211 V C 2.259 178.345 176.094 -0.014 0.000 1.053 211 V CA 1.857 64.157 62.300 0.001 0.000 1.027 211 V CB -0.665 31.151 31.823 -0.013 0.000 0.646 211 V HN 0.348 nan 8.190 nan 0.000 0.447 212 L N -0.974 120.206 121.223 -0.072 0.000 2.201 212 L HA -0.138 4.202 4.340 -0.001 0.000 0.212 212 L C 2.614 179.438 176.870 -0.076 0.000 1.105 212 L CA 1.214 55.997 54.840 -0.096 0.000 0.775 212 L CB -0.856 41.121 42.059 -0.137 0.000 0.913 212 L HN 0.402 nan 8.230 nan 0.000 0.440 213 H N 0.208 119.302 119.070 0.040 0.000 2.389 213 H HA -0.094 4.462 4.556 -0.001 0.000 0.299 213 H C 2.091 177.436 175.328 0.027 0.000 1.081 213 H CA 1.211 57.281 56.048 0.037 0.000 1.345 213 H CB -0.007 29.781 29.762 0.044 0.000 1.393 213 H HN 0.472 nan 8.280 nan 0.000 0.520 214 E N 0.974 121.252 120.200 0.130 0.000 2.058 214 E HA -0.142 4.208 4.350 -0.001 0.000 0.194 214 E C 1.866 178.497 176.600 0.051 0.000 0.997 214 E CA 0.760 57.205 56.400 0.075 0.000 0.801 214 E CB 0.106 29.837 29.700 0.051 0.000 0.746 214 E HN 0.226 nan 8.360 nan 0.000 0.450 215 K N -0.560 119.862 120.400 0.036 0.000 2.515 215 K HA -0.028 4.292 4.320 -0.001 0.000 0.196 215 K C 1.277 177.893 176.600 0.027 0.000 1.038 215 K CA 0.923 57.222 56.287 0.020 0.000 0.967 215 K CB 0.454 32.957 32.500 0.004 0.000 0.780 215 K HN 0.371 nan 8.250 nan 0.000 0.483 216 G N 1.044 109.875 108.800 0.052 0.000 2.192 216 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.193 216 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.193 216 G C 0.045 174.990 174.900 0.075 0.000 0.999 216 G CA -0.452 44.681 45.100 0.056 0.000 0.659 216 G HN 0.231 nan 8.290 nan 0.000 0.503 217 I N 1.630 122.252 120.570 0.086 0.000 2.291 217 I HA 0.297 4.467 4.170 -0.001 0.000 0.290 217 I C 1.644 177.883 176.117 0.202 0.000 1.050 217 I CA -0.647 60.710 61.300 0.095 0.000 1.245 217 I CB 1.194 39.215 38.000 0.035 0.000 1.405 217 I HN 0.201 nan 8.210 nan 0.000 0.478 218 R N 3.690 124.293 120.500 0.171 0.000 2.070 218 R HA -0.066 4.273 4.340 -0.001 0.000 0.233 218 R C 0.288 176.730 176.300 0.236 0.000 1.137 218 R CA 1.286 57.493 56.100 0.179 0.000 0.945 218 R CB 0.154 30.506 30.300 0.086 0.000 0.845 218 R HN 0.540 nan 8.270 nan 0.000 0.430 219 T N 1.403 116.052 114.554 0.158 0.000 2.756 219 T HA 0.417 4.767 4.350 -0.001 0.000 0.290 219 T C -1.097 173.671 174.700 0.114 0.000 0.985 219 T CA -0.581 61.606 62.100 0.144 0.000 0.955 219 T CB 1.898 70.811 68.868 0.075 0.000 0.930 219 T HN -0.090 nan 8.240 nan 0.000 0.451 220 V N 5.632 125.620 119.914 0.123 0.000 2.487 220 V HA 0.492 4.611 4.120 -0.001 0.000 0.298 220 V C -0.419 175.730 176.094 0.091 0.000 1.028 220 V CA -0.858 61.469 62.300 0.044 0.000 0.860 220 V CB 1.508 33.263 31.823 -0.114 0.000 0.991 220 V HN 0.746 nan 8.190 nan 0.000 0.427 221 L N 6.256 127.536 121.223 0.094 0.000 2.342 221 L HA 0.609 4.949 4.340 -0.001 0.000 0.276 221 L C -0.694 176.246 176.870 0.117 0.000 0.997 221 L CA -0.329 54.583 54.840 0.120 0.000 0.838 221 L CB 1.696 43.846 42.059 0.152 0.000 1.224 221 L HN 0.486 nan 8.230 nan 0.000 0.416 222 I N 2.807 123.469 120.570 0.152 0.000 2.307 222 I HA 0.189 4.359 4.170 -0.001 0.000 0.289 222 I C 0.753 176.919 176.117 0.081 0.000 1.021 222 I CA -0.402 60.964 61.300 0.110 0.000 1.224 222 I CB 1.755 39.824 38.000 0.116 0.000 1.376 222 I HN 0.587 nan 8.210 nan 0.000 0.470 223 T N 4.678 119.234 114.554 0.004 0.000 2.884 223 T HA 0.421 4.770 4.350 -0.001 0.000 0.298 223 T C 0.181 174.870 174.700 -0.019 0.000 0.998 223 T CA -0.438 61.628 62.100 -0.058 0.000 1.124 223 T CB 0.968 69.735 68.868 -0.169 0.000 0.931 223 T HN 0.484 nan 8.240 nan 0.000 0.531 224 L N 3.163 124.380 121.223 -0.010 0.000 3.154 224 L HA 0.444 4.784 4.340 -0.001 0.000 0.266 224 L C 1.648 178.507 176.870 -0.018 0.000 1.300 224 L CA -0.469 54.371 54.840 -0.000 0.000 1.028 224 L CB -0.730 41.348 42.059 0.032 0.000 1.412 224 L HN 1.217 nan 8.230 nan 0.000 0.564 225 G N 1.518 110.297 108.800 -0.034 0.000 2.622 225 G HA2 -0.451 3.509 3.960 -0.001 0.000 0.307 225 G HA3 -0.451 3.509 3.960 -0.001 0.000 0.307 225 G C 1.119 175.993 174.900 -0.044 0.000 1.226 225 G CA 0.824 45.903 45.100 -0.034 0.000 0.997 225 G HN 0.512 nan 8.290 nan 0.000 0.551 226 S N 0.367 116.047 115.700 -0.032 0.000 2.419 226 S HA -0.051 4.419 4.470 -0.001 0.000 0.233 226 S C 1.959 176.528 174.600 -0.052 0.000 1.016 226 S CA 1.691 59.867 58.200 -0.040 0.000 0.974 226 S CB -0.195 62.993 63.200 -0.021 0.000 0.786 226 S HN 0.731 nan 8.310 nan 0.000 0.492 227 R N 1.798 122.278 120.500 -0.033 0.000 2.346 227 R HA 0.293 4.632 4.340 -0.001 0.000 0.199 227 R C 1.536 177.822 176.300 -0.023 0.000 1.015 227 R CA 0.312 56.401 56.100 -0.019 0.000 1.058 227 R CB -0.740 29.566 30.300 0.010 0.000 0.921 227 R HN 0.614 nan 8.270 nan 0.000 0.475 228 G N 0.491 109.251 108.800 -0.067 0.000 2.512 228 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.240 228 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.240 228 G C -0.802 174.132 174.900 0.055 0.000 1.246 228 G CA -0.293 44.781 45.100 -0.044 0.000 0.919 228 G HN 0.200 nan 8.290 nan 0.000 0.577 229 V N 1.108 121.102 119.914 0.133 0.000 2.735 229 V HA 0.700 4.820 4.120 -0.001 0.000 0.310 229 V C -0.631 175.562 176.094 0.165 0.000 1.061 229 V CA -0.704 61.659 62.300 0.106 0.000 0.913 229 V CB 1.835 33.682 31.823 0.040 0.000 1.005 229 V HN 1.145 nan 8.190 nan 0.000 0.428 230 W N 7.414 128.722 121.300 0.014 0.000 2.416 230 W HA 0.662 5.321 4.660 -0.001 0.000 0.318 230 W C -0.228 176.314 176.519 0.039 0.000 1.150 230 W CA -0.452 56.907 57.345 0.024 0.000 1.392 230 W CB 1.129 30.597 29.460 0.014 0.000 1.311 230 W HN 0.838 nan 8.180 nan 0.000 0.436 231 A N 4.585 127.179 122.820 -0.376 0.000 2.260 231 A HA 0.447 4.767 4.320 -0.001 0.000 0.308 231 A C -0.595 176.780 177.584 -0.349 0.000 1.254 231 A CA -0.306 51.587 52.037 -0.238 0.000 0.874 231 A CB 1.172 20.073 19.000 -0.166 0.000 1.153 231 A HN 0.424 nan 8.150 nan 0.000 0.527 232 S N 2.364 118.028 115.700 -0.058 0.000 2.707 232 S HA 0.506 4.976 4.470 -0.001 0.000 0.312 232 S C -1.013 173.711 174.600 0.207 0.000 1.116 232 S CA -0.398 57.867 58.200 0.109 0.000 1.078 232 S CB 0.669 64.113 63.200 0.406 0.000 0.997 232 S HN 0.687 nan 8.310 nan 0.000 0.477 233 V N 7.647 127.596 119.914 0.058 0.000 2.294 233 V HA 0.370 4.489 4.120 -0.001 0.000 0.272 233 V C 0.626 176.630 176.094 -0.150 0.000 1.027 233 V CA -0.621 61.690 62.300 0.019 0.000 0.823 233 V CB 0.347 32.163 31.823 -0.012 0.000 1.030 233 V HN 1.076 nan 8.190 nan 0.000 0.457 234 N N 3.894 122.350 118.700 -0.405 0.000 2.699 234 N HA -0.274 4.465 4.740 -0.001 0.000 0.256 234 N C 0.634 175.749 175.510 -0.658 0.000 0.993 234 N CA 0.783 53.367 53.050 -0.777 0.000 0.759 234 N CB -1.096 37.230 38.487 -0.269 0.000 0.906 234 N HN 1.241 nan 8.380 nan 0.000 0.541 235 G N 0.517 108.898 108.800 -0.698 0.000 2.780 235 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.237 235 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.237 235 G C -0.337 174.566 174.900 0.005 0.000 1.965 235 G CA 0.223 45.231 45.100 -0.155 0.000 1.577 235 G HN 0.721 nan 8.290 nan 0.000 0.543 236 E N 2.383 122.567 120.200 -0.026 0.000 3.072 236 E HA 0.421 4.771 4.350 -0.001 0.000 0.241 236 E C 0.410 176.994 176.600 -0.027 0.000 0.962 236 E CA 1.385 57.780 56.400 -0.008 0.000 0.955 236 E CB -0.333 29.344 29.700 -0.037 0.000 0.899 236 E HN 1.172 nan 8.360 nan 0.000 0.547 237 G N 4.084 112.870 108.800 -0.023 0.000 2.620 237 G HA2 0.562 4.521 3.960 -0.001 0.000 0.301 237 G HA3 0.562 4.521 3.960 -0.001 0.000 0.301 237 G C -1.466 172.959 174.900 -0.791 0.000 1.347 237 G CA -0.652 44.261 45.100 -0.311 0.000 0.971 237 G HN 0.529 nan 8.290 nan 0.000 0.488 238 Q N 0.523 119.579 119.800 -1.240 0.000 2.590 238 Q HA 0.458 4.797 4.340 -0.001 0.000 0.295 238 Q C -1.465 173.952 176.000 -0.971 0.000 0.973 238 Q CA -1.063 54.052 55.803 -1.146 0.000 0.768 238 Q CB 2.050 30.529 28.738 -0.432 0.000 1.479 238 Q HN 0.593 nan 8.270 nan 0.000 0.419 239 R N 0.743 121.005 120.500 -0.397 0.000 2.265 239 R HA 0.525 4.865 4.340 -0.001 0.000 0.314 239 R C -1.083 175.198 176.300 -0.030 0.000 1.053 239 R CA -0.284 55.798 56.100 -0.029 0.000 0.931 239 R CB 0.938 31.369 30.300 0.218 0.000 1.024 239 R HN 0.458 nan 8.270 nan 0.000 0.457 240 V N 8.056 127.979 119.914 0.015 0.000 2.284 240 V HA 0.295 4.415 4.120 -0.001 0.000 0.274 240 V C -1.906 174.270 176.094 0.136 0.000 1.023 240 V CA -1.809 60.525 62.300 0.055 0.000 0.808 240 V CB 1.069 32.925 31.823 0.056 0.000 1.035 240 V HN 0.841 nan 8.190 nan 0.000 0.445 241 P HA 0.147 nan 4.420 nan 0.000 0.269 241 P C 0.325 177.414 177.300 -0.351 0.000 1.217 241 P CA 0.435 63.475 63.100 -0.099 0.000 0.783 241 P CB 1.288 32.929 31.700 -0.099 0.000 0.898 242 G N 0.471 108.912 108.800 -0.599 0.000 2.583 242 G HA2 0.506 4.466 3.960 -0.001 0.000 0.280 242 G HA3 0.506 4.466 3.960 -0.001 0.000 0.280 242 G C -1.066 173.475 174.900 -0.599 0.000 1.376 242 G CA -0.730 43.752 45.100 -1.031 0.000 1.043 242 G HN 0.296 nan 8.290 nan 0.000 0.538 243 F N 0.690 120.564 119.950 -0.126 0.000 2.424 243 F HA 0.379 4.906 4.527 -0.001 0.000 0.356 243 F C 1.303 177.113 175.800 0.016 0.000 1.110 243 F CA -0.413 57.611 58.000 0.040 0.000 1.161 243 F CB 1.009 40.145 39.000 0.227 0.000 1.115 243 F HN 0.068 nan 8.300 nan 0.000 0.507 244 R N 3.223 123.823 120.500 0.167 0.000 2.446 244 R HA 0.326 4.666 4.340 -0.001 0.000 0.314 244 R C -0.391 175.993 176.300 0.139 0.000 1.003 244 R CA -0.086 56.075 56.100 0.102 0.000 1.018 244 R CB 0.055 30.397 30.300 0.070 0.000 0.945 244 R HN 0.568 nan 8.270 nan 0.000 0.419 245 V N -0.061 119.916 119.914 0.104 0.000 3.156 245 V HA 0.326 4.446 4.120 -0.001 0.000 0.310 245 V C -0.558 175.571 176.094 0.058 0.000 1.234 245 V CA -1.216 61.144 62.300 0.100 0.000 1.065 245 V CB 2.040 33.928 31.823 0.110 0.000 1.088 245 V HN 0.671 nan 8.190 nan 0.000 0.451 246 Q N 1.219 121.048 119.800 0.049 0.000 2.571 246 Q HA 0.616 4.955 4.340 -0.001 0.000 0.222 246 Q C 0.141 176.155 176.000 0.023 0.000 1.167 246 Q CA -0.370 55.452 55.803 0.032 0.000 0.966 246 Q CB 0.648 29.403 28.738 0.028 0.000 1.274 246 Q HN 1.210 nan 8.270 nan 0.000 0.552 247 A N 2.820 125.652 122.820 0.020 0.000 2.520 247 A HA 0.231 4.550 4.320 -0.001 0.000 0.245 247 A C 0.785 178.378 177.584 0.013 0.000 1.072 247 A CA 0.331 52.377 52.037 0.016 0.000 0.761 247 A CB 0.402 19.412 19.000 0.017 0.000 1.004 247 A HN 0.842 nan 8.150 nan 0.000 0.499 248 V N -1.242 118.680 119.914 0.013 0.000 3.141 248 V HA 0.362 4.482 4.120 -0.001 0.000 0.225 248 V C 0.062 176.167 176.094 0.018 0.000 1.352 248 V CA 0.838 63.144 62.300 0.010 0.000 1.316 248 V CB 0.374 32.200 31.823 0.003 0.000 1.126 248 V HN 0.657 nan 8.190 nan 0.000 0.493 249 D N 1.753 122.165 120.400 0.020 0.000 2.358 249 D HA 0.311 4.950 4.640 -0.001 0.000 0.253 249 D C 0.642 176.959 176.300 0.029 0.000 1.288 249 D CA 0.616 54.635 54.000 0.032 0.000 0.950 249 D CB 1.587 42.406 40.800 0.031 0.000 1.197 249 D HN 0.516 nan 8.370 nan 0.000 0.550 250 T N 1.230 115.807 114.554 0.038 0.000 3.509 250 T HA 0.186 4.536 4.350 -0.001 0.000 0.250 250 T C 0.987 175.710 174.700 0.037 0.000 1.076 250 T CA -0.315 61.805 62.100 0.034 0.000 0.966 250 T CB -0.548 68.344 68.868 0.040 0.000 1.046 250 T HN 0.389 nan 8.240 nan 0.000 0.591 251 I N 0.560 121.152 120.570 0.038 0.000 2.385 251 I HA 0.511 4.680 4.170 -0.001 0.000 0.294 251 I C 0.850 176.982 176.117 0.024 0.000 0.988 251 I CA -0.022 61.300 61.300 0.036 0.000 1.265 251 I CB 0.885 38.912 38.000 0.045 0.000 1.388 251 I HN 0.410 nan 8.210 nan 0.000 0.480 252 A N 4.444 127.277 122.820 0.022 0.000 3.021 252 A HA -0.248 4.072 4.320 -0.001 0.000 0.257 252 A C 1.459 179.055 177.584 0.019 0.000 1.277 252 A CA 1.100 53.146 52.037 0.014 0.000 1.012 252 A CB -2.277 16.724 19.000 0.001 0.000 1.147 252 A HN 1.179 nan 8.150 nan 0.000 0.861 253 A N -0.459 122.378 122.820 0.027 0.000 1.854 253 A HA 0.316 4.636 4.320 -0.001 0.000 0.214 253 A C 2.643 180.273 177.584 0.078 0.000 1.192 253 A CA 1.935 53.995 52.037 0.039 0.000 0.611 253 A CB -1.272 17.743 19.000 0.024 0.000 0.832 253 A HN 1.926 nan 8.150 nan 0.000 0.442 254 G N 0.019 108.855 108.800 0.060 0.000 2.446 254 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.217 254 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.217 254 G C 1.144 176.127 174.900 0.138 0.000 1.168 254 G CA 1.286 46.442 45.100 0.093 0.000 0.771 254 G HN 0.456 nan 8.290 nan 0.000 0.551 255 D N 0.226 120.671 120.400 0.074 0.000 2.123 255 D HA -0.083 4.557 4.640 -0.001 0.000 0.196 255 D C 2.705 179.024 176.300 0.030 0.000 0.992 255 D CA 1.569 55.593 54.000 0.041 0.000 0.833 255 D CB -0.600 40.203 40.800 0.006 0.000 0.954 255 D HN 0.240 nan 8.370 nan 0.000 0.455 256 T N 0.624 115.198 114.554 0.033 0.000 2.777 256 T HA -0.128 4.221 4.350 -0.001 0.000 0.266 256 T C 1.713 176.429 174.700 0.026 0.000 1.040 256 T CA 0.579 62.677 62.100 -0.004 0.000 1.141 256 T CB -0.456 68.400 68.868 -0.019 0.000 0.868 256 T HN 0.120 nan 8.240 nan 0.000 0.444 257 F N 2.726 122.656 119.950 -0.032 0.000 2.069 257 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 257 F C 1.905 177.697 175.800 -0.013 0.000 1.113 257 F CA 1.492 59.484 58.000 -0.015 0.000 1.214 257 F CB -0.553 38.456 39.000 0.015 0.000 0.978 257 F HN 0.091 nan 8.300 nan 0.000 0.474 258 N N 0.068 118.809 118.700 0.068 0.000 2.120 258 N HA -0.083 4.656 4.740 -0.001 0.000 0.188 258 N C 2.084 177.522 175.510 -0.119 0.000 1.024 258 N CA 1.508 54.529 53.050 -0.049 0.000 0.852 258 N CB -0.933 37.590 38.487 0.058 0.000 1.003 258 N HN 0.445 nan 8.380 nan 0.000 0.424 259 G N 0.059 108.807 108.800 -0.087 0.000 2.402 259 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.216 259 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.216 259 G C 1.542 176.395 174.900 -0.078 0.000 1.162 259 G CA 0.830 45.875 45.100 -0.091 0.000 0.777 259 G HN 0.407 nan 8.290 nan 0.000 0.539 260 A N 0.391 123.161 122.820 -0.083 0.000 1.930 260 A HA 0.110 4.430 4.320 -0.001 0.000 0.217 260 A C 2.329 179.948 177.584 0.057 0.000 1.175 260 A CA 1.556 53.606 52.037 0.023 0.000 0.627 260 A CB -0.424 18.511 19.000 -0.107 0.000 0.815 260 A HN 0.409 nan 8.150 nan 0.000 0.443 261 L N 0.137 121.238 121.223 -0.202 0.000 1.990 261 L HA -0.191 4.149 4.340 -0.001 0.000 0.213 261 L C 2.097 178.881 176.870 -0.143 0.000 1.072 261 L CA 1.972 56.643 54.840 -0.283 0.000 0.755 261 L CB -0.386 41.351 42.059 -0.537 0.000 0.889 261 L HN 0.361 nan 8.230 nan 0.000 0.432 262 I N -0.952 119.547 120.570 -0.119 0.000 2.315 262 I HA -0.209 3.960 4.170 -0.001 0.000 0.248 262 I C 2.385 178.460 176.117 -0.071 0.000 1.117 262 I CA 1.416 62.667 61.300 -0.081 0.000 1.404 262 I CB -2.109 35.854 38.000 -0.063 0.000 1.071 262 I HN 0.296 nan 8.210 nan 0.000 0.419 263 T N 1.659 116.184 114.554 -0.048 0.000 2.684 263 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 263 T C 2.111 176.718 174.700 -0.156 0.000 1.036 263 T CA 1.837 63.902 62.100 -0.057 0.000 1.148 263 T CB -0.319 68.564 68.868 0.025 0.000 0.863 263 T HN 0.462 nan 8.240 nan 0.000 0.436 264 A N 1.090 123.769 122.820 -0.234 0.000 1.902 264 A HA -0.007 4.312 4.320 -0.001 0.000 0.217 264 A C 2.327 179.791 177.584 -0.200 0.000 1.181 264 A CA 1.284 53.104 52.037 -0.362 0.000 0.623 264 A CB -0.885 17.899 19.000 -0.360 0.000 0.818 264 A HN 0.481 nan 8.150 nan 0.000 0.443 265 L N -0.595 120.548 121.223 -0.133 0.000 2.046 265 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 265 L C 2.361 179.181 176.870 -0.084 0.000 1.077 265 L CA 0.967 55.750 54.840 -0.095 0.000 0.747 265 L CB -0.474 41.541 42.059 -0.073 0.000 0.896 265 L HN 0.365 nan 8.230 nan 0.000 0.432 266 L N -0.606 120.567 121.223 -0.083 0.000 2.362 266 L HA -0.143 4.197 4.340 -0.001 0.000 0.219 266 L C 1.620 178.445 176.870 -0.076 0.000 1.134 266 L CA 0.827 55.627 54.840 -0.067 0.000 0.807 266 L CB -0.359 41.667 42.059 -0.054 0.000 0.927 266 L HN 0.304 nan 8.230 nan 0.000 0.447 267 E N 0.221 120.356 120.200 -0.109 0.000 2.437 267 E HA -0.018 4.332 4.350 -0.001 0.000 0.189 267 E C -0.201 176.342 176.600 -0.095 0.000 1.054 267 E CA -0.116 56.219 56.400 -0.109 0.000 0.874 267 E CB 0.254 29.860 29.700 -0.156 0.000 1.011 267 E HN 0.310 nan 8.360 nan 0.000 0.474 268 E N 0.014 120.164 120.200 -0.082 0.000 2.957 268 E HA -0.201 4.148 4.350 -0.001 0.000 0.287 268 E C -0.634 175.925 176.600 -0.069 0.000 0.976 268 E CA 0.377 56.738 56.400 -0.065 0.000 0.907 268 E CB -1.247 28.423 29.700 -0.051 0.000 1.456 268 E HN 0.189 nan 8.360 nan 0.000 0.421 269 K N 1.481 121.826 120.400 -0.092 0.000 2.205 269 K HA 0.271 4.591 4.320 -0.001 0.000 0.279 269 K C -2.107 174.456 176.600 -0.062 0.000 1.027 269 K CA -1.730 54.506 56.287 -0.085 0.000 0.932 269 K CB 0.668 33.094 32.500 -0.123 0.000 1.032 269 K HN -0.107 nan 8.250 nan 0.000 0.466 270 P HA -0.124 nan 4.420 nan 0.000 0.270 270 P C 0.613 177.891 177.300 -0.036 0.000 1.221 270 P CA -0.207 62.873 63.100 -0.034 0.000 0.788 270 P CB 0.517 32.202 31.700 -0.025 0.000 0.904 271 L N 3.627 124.830 121.223 -0.033 0.000 2.012 271 L HA -0.080 4.260 4.340 -0.001 0.000 0.210 271 L C -0.842 176.011 176.870 -0.028 0.000 1.073 271 L CA 2.447 57.267 54.840 -0.034 0.000 0.748 271 L CB -2.245 39.796 42.059 -0.030 0.000 0.891 271 L HN 0.334 nan 8.230 nan 0.000 0.431 272 P HA -0.228 nan 4.420 nan 0.000 0.216 272 P C 1.383 178.692 177.300 0.013 0.000 1.150 272 P CA 1.688 64.781 63.100 -0.012 0.000 0.837 272 P CB -0.009 31.683 31.700 -0.014 0.000 0.786 273 E N -0.370 119.838 120.200 0.014 0.000 2.112 273 E HA -0.057 4.292 4.350 -0.001 0.000 0.190 273 E C 2.060 178.691 176.600 0.052 0.000 0.979 273 E CA 0.712 57.138 56.400 0.042 0.000 0.814 273 E CB -0.306 29.404 29.700 0.017 0.000 0.762 273 E HN 0.051 nan 8.360 nan 0.000 0.460 274 A N 1.094 123.913 122.820 -0.003 0.000 1.930 274 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 274 A C 2.078 179.661 177.584 -0.002 0.000 1.175 274 A CA 0.943 52.969 52.037 -0.019 0.000 0.627 274 A CB -0.499 18.455 19.000 -0.076 0.000 0.815 274 A HN 0.277 nan 8.150 nan 0.000 0.443 275 I N -1.176 119.375 120.570 -0.031 0.000 2.315 275 I HA -0.225 3.945 4.170 -0.001 0.000 0.248 275 I C 2.685 178.777 176.117 -0.041 0.000 1.117 275 I CA 1.510 62.761 61.300 -0.082 0.000 1.404 275 I CB -0.353 37.610 38.000 -0.061 0.000 1.071 275 I HN 0.379 nan 8.210 nan 0.000 0.419 276 R N 0.913 121.474 120.500 0.102 0.000 2.073 276 R HA -0.238 4.102 4.340 -0.001 0.000 0.234 276 R C 2.446 178.971 176.300 0.374 0.000 1.134 276 R CA 1.887 58.136 56.100 0.248 0.000 0.952 276 R CB -0.439 30.009 30.300 0.246 0.000 0.850 276 R HN 0.232 nan 8.270 nan 0.000 0.433 277 F N 0.889 120.922 119.950 0.138 0.000 2.134 277 F HA -0.127 4.399 4.527 -0.001 0.000 0.299 277 F C 2.058 177.899 175.800 0.069 0.000 1.097 277 F CA 1.628 59.691 58.000 0.106 0.000 1.264 277 F CB -0.415 38.600 39.000 0.025 0.000 1.001 277 F HN 0.137 nan 8.300 nan 0.000 0.479 278 A N -0.737 122.123 122.820 0.067 0.000 1.898 278 A HA -0.194 4.126 4.320 -0.001 0.000 0.216 278 A C 2.040 179.724 177.584 0.166 0.000 1.181 278 A CA 1.673 53.640 52.037 -0.117 0.000 0.620 278 A CB -1.177 17.452 19.000 -0.618 0.000 0.819 278 A HN 0.534 nan 8.150 nan 0.000 0.442 279 H N -0.114 119.130 119.070 0.290 0.000 2.421 279 H HA -0.002 4.553 4.556 -0.000 0.000 0.298 279 H C 2.449 177.939 175.328 0.270 0.000 1.087 279 H CA 1.115 57.354 56.048 0.319 0.000 1.330 279 H CB -0.461 29.422 29.762 0.202 0.000 1.388 279 H HN 0.499 nan 8.280 nan 0.000 0.526 280 A N 0.555 123.576 122.820 0.334 0.000 1.897 280 A HA -0.008 4.312 4.320 -0.001 0.000 0.215 280 A C 2.662 179.996 177.584 -0.417 0.000 1.181 280 A CA 1.515 53.448 52.037 -0.174 0.000 0.620 280 A CB -0.741 18.205 19.000 -0.089 0.000 0.821 280 A HN 0.424 nan 8.150 nan 0.000 0.443 281 A N -0.050 122.586 122.820 -0.307 0.000 1.898 281 A HA 0.194 4.514 4.320 -0.001 0.000 0.216 281 A C 2.494 179.977 177.584 -0.169 0.000 1.181 281 A CA 1.979 53.840 52.037 -0.294 0.000 0.620 281 A CB -0.988 17.824 19.000 -0.313 0.000 0.819 281 A HN 1.005 nan 8.150 nan 0.000 0.442 282 A N -0.136 122.664 122.820 -0.033 0.000 1.902 282 A HA 0.175 4.495 4.320 -0.001 0.000 0.217 282 A C 2.480 180.035 177.584 -0.049 0.000 1.181 282 A CA 2.014 54.066 52.037 0.025 0.000 0.623 282 A CB -0.957 18.141 19.000 0.163 0.000 0.818 282 A HN 1.042 nan 8.150 nan 0.000 0.443 283 A N -0.175 122.581 122.820 -0.107 0.000 1.933 283 A HA -0.047 4.272 4.320 -0.001 0.000 0.218 283 A C 2.090 179.526 177.584 -0.246 0.000 1.175 283 A CA 1.474 53.414 52.037 -0.161 0.000 0.628 283 A CB -0.561 18.345 19.000 -0.156 0.000 0.814 283 A HN 0.501 nan 8.150 nan 0.000 0.444 284 I N -0.298 120.057 120.570 -0.358 0.000 2.202 284 I HA -0.242 3.928 4.170 -0.001 0.000 0.242 284 I C 2.983 179.033 176.117 -0.111 0.000 1.091 284 I CA 0.971 62.136 61.300 -0.225 0.000 1.368 284 I CB -0.373 37.488 38.000 -0.230 0.000 1.058 284 I HN 0.333 nan 8.210 nan 0.000 0.410 285 A N 0.825 123.583 122.820 -0.104 0.000 1.892 285 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 285 A C 2.344 179.908 177.584 -0.032 0.000 1.188 285 A CA 2.376 54.378 52.037 -0.058 0.000 0.631 285 A CB -1.237 17.732 19.000 -0.051 0.000 0.822 285 A HN 0.403 nan 8.150 nan 0.000 0.447 286 V N -1.962 117.935 119.914 -0.027 0.000 3.141 286 V HA -0.051 4.069 4.120 -0.001 0.000 0.265 286 V C 1.800 177.892 176.094 -0.003 0.000 1.126 286 V CA 1.925 64.221 62.300 -0.007 0.000 1.141 286 V CB -1.694 30.129 31.823 -0.001 0.000 0.743 286 V HN 0.682 nan 8.190 nan 0.000 0.492 287 T N -1.682 112.866 114.554 -0.010 0.000 3.235 287 T HA 0.382 4.732 4.350 -0.001 0.000 0.251 287 T C 0.553 175.253 174.700 -0.001 0.000 1.060 287 T CA -0.275 61.825 62.100 0.000 0.000 0.949 287 T CB -0.217 68.656 68.868 0.007 0.000 1.020 287 T HN 0.642 nan 8.240 nan 0.000 0.564 288 R N -0.098 120.400 120.500 -0.004 0.000 2.855 288 R HA 0.683 5.022 4.340 -0.001 0.000 0.266 288 R C -0.950 175.351 176.300 0.001 0.000 1.034 288 R CA -1.101 54.998 56.100 -0.002 0.000 0.944 288 R CB 1.755 32.055 30.300 -0.001 0.000 1.219 288 R HN 0.113 nan 8.270 nan 0.000 0.474 289 K N 0.227 120.628 120.400 0.001 0.000 2.166 289 K HA 0.664 4.984 4.320 -0.001 0.000 0.245 289 K C -0.216 176.394 176.600 0.017 0.000 0.967 289 K CA -0.435 55.858 56.287 0.011 0.000 0.863 289 K CB 1.827 34.331 32.500 0.006 0.000 1.107 289 K HN 0.791 nan 8.250 nan 0.000 0.436 290 G N 0.031 108.846 108.800 0.025 0.000 2.758 290 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.686 290 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.686 290 G C 0.291 175.199 174.900 0.013 0.000 1.389 290 G CA -0.367 44.743 45.100 0.016 0.000 0.845 290 G HN 0.673 nan 8.290 nan 0.000 0.572 291 A N 0.082 122.909 122.820 0.012 0.000 1.935 291 A HA 0.136 4.456 4.320 -0.001 0.000 0.211 291 A C 2.301 179.887 177.584 0.002 0.000 1.388 291 A CA 2.375 54.419 52.037 0.012 0.000 0.600 291 A CB -1.026 17.985 19.000 0.019 0.000 1.011 291 A HN 1.232 nan 8.150 nan 0.000 0.481 292 Q N -0.264 119.542 119.800 0.010 0.000 2.096 292 Q HA -0.163 4.177 4.340 -0.001 0.000 0.208 292 Q C -0.702 175.295 176.000 -0.005 0.000 0.993 292 Q CA 2.537 58.339 55.803 -0.000 0.000 0.862 292 Q CB -0.943 27.823 28.738 0.047 0.000 0.915 292 Q HN 0.481 nan 8.270 nan 0.000 0.416 293 P HA -0.130 nan 4.420 nan 0.000 0.219 293 P C 0.875 178.183 177.300 0.013 0.000 1.146 293 P CA 1.714 64.829 63.100 0.025 0.000 0.808 293 P CB -0.087 31.629 31.700 0.026 0.000 0.779 294 S N -1.969 113.729 115.700 -0.003 0.000 2.660 294 S HA 0.050 4.519 4.470 -0.001 0.000 0.223 294 S C 0.611 175.189 174.600 -0.037 0.000 0.963 294 S CA -0.183 58.010 58.200 -0.011 0.000 0.932 294 S CB -1.094 62.099 63.200 -0.010 0.000 0.775 294 S HN -0.154 nan 8.310 nan 0.000 0.531 295 V N 4.887 124.762 119.914 -0.065 0.000 2.432 295 V HA 0.371 4.491 4.120 -0.001 0.000 0.271 295 V C -1.946 174.051 176.094 -0.160 0.000 1.046 295 V CA -2.028 60.196 62.300 -0.126 0.000 0.945 295 V CB 0.737 32.459 31.823 -0.168 0.000 0.992 295 V HN 0.338 nan 8.190 nan 0.000 0.471 296 P HA 0.165 nan 4.420 nan 0.000 0.279 296 P C -0.875 176.360 177.300 -0.109 0.000 1.239 296 P CA -0.527 62.527 63.100 -0.077 0.000 0.789 296 P CB 0.834 32.482 31.700 -0.086 0.000 0.933 297 W N 2.012 123.295 121.300 -0.028 0.000 2.215 297 W HA 0.284 4.944 4.660 -0.001 0.000 0.342 297 W C 2.086 178.606 176.519 0.001 0.000 1.237 297 W CA -0.357 56.983 57.345 -0.008 0.000 1.283 297 W CB -0.003 29.458 29.460 0.002 0.000 1.131 297 W HN 0.381 nan 8.180 nan 0.000 0.606 298 R N 1.046 121.722 120.500 0.293 0.000 2.113 298 R HA -0.221 4.118 4.340 -0.001 0.000 0.244 298 R C 1.693 178.103 176.300 0.184 0.000 1.142 298 R CA 2.092 58.325 56.100 0.223 0.000 0.953 298 R CB -0.572 29.867 30.300 0.232 0.000 0.860 298 R HN 0.471 nan 8.270 nan 0.000 0.438 299 E N 0.639 120.941 120.200 0.170 0.000 2.160 299 E HA -0.198 4.152 4.350 -0.001 0.000 0.195 299 E C 1.781 178.444 176.600 0.105 0.000 0.991 299 E CA 1.581 58.050 56.400 0.115 0.000 0.810 299 E CB -0.126 29.618 29.700 0.073 0.000 0.742 299 E HN 0.636 nan 8.360 nan 0.000 0.466 300 E N 0.234 120.503 120.200 0.116 0.000 2.208 300 E HA -0.052 4.298 4.350 -0.001 0.000 0.193 300 E C 2.160 178.805 176.600 0.074 0.000 0.988 300 E CA 0.429 56.884 56.400 0.092 0.000 0.828 300 E CB -0.087 29.669 29.700 0.093 0.000 0.763 300 E HN 0.246 nan 8.360 nan 0.000 0.478 301 I N 1.650 122.242 120.570 0.037 0.000 2.233 301 I HA -0.215 3.955 4.170 -0.001 0.000 0.243 301 I C 1.807 177.975 176.117 0.084 0.000 1.093 301 I CA 0.936 62.209 61.300 -0.045 0.000 1.380 301 I CB -0.155 37.684 38.000 -0.268 0.000 1.067 301 I HN -0.030 nan 8.210 nan 0.000 0.413 302 D N 1.439 121.918 120.400 0.132 0.000 2.108 302 D HA -0.234 4.406 4.640 -0.001 0.000 0.190 302 D C 2.285 178.649 176.300 0.106 0.000 0.995 302 D CA 1.906 55.994 54.000 0.147 0.000 0.834 302 D CB -0.534 40.345 40.800 0.133 0.000 0.967 302 D HN 0.337 nan 8.370 nan 0.000 0.446 303 A N 0.578 123.450 122.820 0.086 0.000 1.903 303 A HA -0.249 4.071 4.320 -0.001 0.000 0.219 303 A C 2.224 179.832 177.584 0.041 0.000 1.191 303 A CA 1.754 53.823 52.037 0.053 0.000 0.638 303 A CB -1.252 17.779 19.000 0.051 0.000 0.823 303 A HN 0.288 nan 8.150 nan 0.000 0.451 304 F N 0.277 120.183 119.950 -0.072 0.000 2.126 304 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 304 F C 1.973 177.675 175.800 -0.164 0.000 1.096 304 F CA 1.906 59.821 58.000 -0.141 0.000 1.255 304 F CB -0.211 38.673 39.000 -0.193 0.000 0.997 304 F HN 0.165 nan 8.300 nan 0.000 0.479 305 L N -0.194 121.092 121.223 0.106 0.000 2.027 305 L HA -0.226 4.114 4.340 -0.001 0.000 0.206 305 L C 2.189 179.042 176.870 -0.028 0.000 1.074 305 L CA 1.421 56.297 54.840 0.059 0.000 0.745 305 L CB -0.868 41.301 42.059 0.183 0.000 0.898 305 L HN 0.056 nan 8.230 nan 0.000 0.433 306 D N 0.331 120.724 120.400 -0.012 0.000 2.149 306 D HA -0.199 4.440 4.640 -0.001 0.000 0.194 306 D C 2.036 178.291 176.300 -0.076 0.000 1.001 306 D CA 1.319 55.305 54.000 -0.024 0.000 0.849 306 D CB -0.195 40.600 40.800 -0.008 0.000 0.939 306 D HN 0.274 nan 8.370 nan 0.000 0.449 307 R N -0.147 120.262 120.500 -0.153 0.000 2.319 307 R HA 0.097 4.437 4.340 -0.001 0.000 0.204 307 R C 0.753 176.909 176.300 -0.239 0.000 0.954 307 R CA 0.107 56.093 56.100 -0.191 0.000 1.066 307 R CB 0.207 30.366 30.300 -0.236 0.000 0.991 307 R HN 0.149 nan 8.270 nan 0.000 0.486 308 Q N 0.000 119.669 119.800 -0.219 0.000 2.315 308 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 308 Q CA 0.000 55.703 55.803 -0.167 0.000 1.022 308 Q CB 0.000 28.586 28.738 -0.254 0.000 1.108 308 Q HN 0.000 nan 8.270 nan 0.000 0.481