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 3eao_1_C DATA FIRST_RESID 14 DATA SEQUENCE DLIIIGGGSG GLAAAKEAAK FDKKVMVLDF VTPTPLGTRW GLGGTcVNVG DATA SEQUENCE cIPKKLMHQA ALLGQALKDS RNYGWKLEDT VKHDWEKMTE SVQNHIGSLN DATA SEQUENCE WGYRVALREK KVVYENAYGK FIGPHKIMAT NNKGKEKVYS AERFLIATGE DATA SEQUENCE RPRYLGIPGD KEYCISSDDL FSLPYCPGKT LVVGASYVAL ECAGFLAGIG DATA SEQUENCE LDVTVMVRSI LLRGFDQDMA NKIGEHMEEH GIKFIRQFVP TKIEQIEAGT DATA SEQUENCE PGRLKVTAKS TNSEETIEDE FNTVLLAVGR DSCTRTIGLE TVGVKINEKT DATA SEQUENCE GKIPVTDEEQ TNVPYIYAIG DILEGKLELT PVAIQAGRLL AQRLYGGSTV DATA SEQUENCE KCDYDNVPTT VFTPLEYGCC GLSEEKAVEK FGEENIEVYH SFFWPLEWTV DATA SEQUENCE PSRDNNKCYA KVICNLKDNE RVVGFHVLGP NAGEVTQGFA AALKCGLTKQ DATA SEQUENCE QLDSTIGIHP VCAEIFTTLS VTKRSGGDIL QSGCXG 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 14 D HA 0.000 nan 4.640 nan 0.000 0.175 14 D C 0.000 176.322 176.300 0.037 0.000 2.045 14 D CA 0.000 54.015 54.000 0.026 0.000 0.868 14 D CB 0.000 40.774 40.800 -0.043 0.000 0.688 15 L N 1.401 122.586 121.223 -0.064 0.000 2.543 15 L HA 0.583 4.924 4.340 0.001 0.000 0.265 15 L C -2.140 174.598 176.870 -0.219 0.000 0.945 15 L CA -0.470 54.317 54.840 -0.088 0.000 0.869 15 L CB 1.926 43.999 42.059 0.024 0.000 1.294 15 L HN -0.028 nan 8.230 nan 0.000 0.405 16 I N 5.739 126.060 120.570 -0.416 0.000 2.406 16 I HA 0.447 4.618 4.170 0.001 0.000 0.290 16 I C -0.701 175.271 176.117 -0.242 0.000 0.999 16 I CA -0.461 60.586 61.300 -0.422 0.000 1.124 16 I CB 1.831 39.411 38.000 -0.700 0.000 1.289 16 I HN 0.495 nan 8.210 nan 0.000 0.441 17 I N 7.363 127.859 120.570 -0.124 0.000 2.312 17 I HA 0.308 4.478 4.170 0.001 0.000 0.290 17 I C -0.147 175.945 176.117 -0.042 0.000 1.008 17 I CA -0.242 61.035 61.300 -0.038 0.000 1.226 17 I CB 0.976 38.961 38.000 -0.025 0.000 1.371 17 I HN 0.352 nan 8.210 nan 0.000 0.468 18 I N 6.731 127.295 120.570 -0.010 0.000 2.308 18 I HA 0.530 4.701 4.170 0.001 0.000 0.293 18 I C 0.678 176.772 176.117 -0.038 0.000 1.078 18 I CA -0.150 61.117 61.300 -0.055 0.000 1.292 18 I CB 0.226 38.174 38.000 -0.087 0.000 1.423 18 I HN 0.803 nan 8.210 nan 0.000 0.493 19 G N 3.729 112.505 108.800 -0.039 0.000 3.367 19 G HA2 0.022 3.983 3.960 0.001 0.000 0.686 19 G HA3 0.022 3.983 3.960 0.001 0.000 0.686 19 G C -0.023 174.871 174.900 -0.010 0.000 1.146 19 G CA -0.551 44.543 45.100 -0.010 0.000 0.913 19 G HN 0.964 nan 8.290 nan 0.000 0.554 20 G N 0.840 109.635 108.800 -0.008 0.000 3.949 20 G HA2 0.669 4.630 3.960 0.001 0.000 0.295 20 G HA3 0.669 4.630 3.960 0.001 0.000 0.295 20 G C 0.888 175.710 174.900 -0.130 0.000 1.286 20 G CA 0.924 45.979 45.100 -0.075 0.000 1.171 20 G HN 1.256 nan 8.290 nan 0.000 0.586 21 G N 0.025 108.776 108.800 -0.081 0.000 2.509 21 G HA2 0.355 4.315 3.960 0.001 0.000 0.269 21 G HA3 0.355 4.315 3.960 0.001 0.000 0.269 21 G C 1.224 176.041 174.900 -0.139 0.000 1.416 21 G CA 0.301 45.348 45.100 -0.088 0.000 1.052 21 G HN 0.170 nan 8.290 nan 0.000 0.542 22 S N -0.343 115.301 115.700 -0.094 0.000 2.359 22 S HA -0.124 4.347 4.470 0.001 0.000 0.224 22 S C 2.461 177.032 174.600 -0.049 0.000 1.035 22 S CA 1.710 59.862 58.200 -0.080 0.000 1.018 22 S CB -0.650 62.532 63.200 -0.029 0.000 0.876 22 S HN 0.767 nan 8.310 nan 0.000 0.448 23 G N 1.149 109.939 108.800 -0.018 0.000 2.404 23 G HA2 0.055 4.016 3.960 0.001 0.000 0.214 23 G HA3 0.055 4.016 3.960 0.001 0.000 0.214 23 G C 1.440 176.335 174.900 -0.007 0.000 1.189 23 G CA 0.847 45.949 45.100 0.003 0.000 0.789 23 G HN 0.558 nan 8.290 nan 0.000 0.533 24 G N 1.376 110.164 108.800 -0.019 0.000 2.721 24 G HA2 -0.286 3.675 3.960 0.001 0.000 0.218 24 G HA3 -0.286 3.675 3.960 0.001 0.000 0.218 24 G C 1.779 176.650 174.900 -0.048 0.000 1.265 24 G CA 1.103 46.186 45.100 -0.029 0.000 0.796 24 G HN 0.400 nan 8.290 nan 0.000 0.620 25 L N 0.960 122.123 121.223 -0.100 0.000 2.187 25 L HA -0.075 4.266 4.340 0.001 0.000 0.213 25 L C 3.370 180.218 176.870 -0.037 0.000 1.100 25 L CA 0.910 55.687 54.840 -0.104 0.000 0.765 25 L CB -0.434 41.485 42.059 -0.234 0.000 0.904 25 L HN 0.365 nan 8.230 nan 0.000 0.437 26 A N 0.153 122.957 122.820 -0.026 0.000 1.855 26 A HA -0.110 4.211 4.320 0.001 0.000 0.215 26 A C 2.577 180.169 177.584 0.013 0.000 1.191 26 A CA 1.622 53.662 52.037 0.004 0.000 0.613 26 A CB -0.737 18.264 19.000 0.002 0.000 0.829 26 A HN 0.359 nan 8.150 nan 0.000 0.442 27 A N -0.063 122.765 122.820 0.013 0.000 1.858 27 A HA 0.159 4.479 4.320 0.001 0.000 0.216 27 A C 2.549 180.151 177.584 0.030 0.000 1.190 27 A CA 2.321 54.375 52.037 0.029 0.000 0.617 27 A CB -1.270 17.747 19.000 0.028 0.000 0.827 27 A HN 1.149 nan 8.150 nan 0.000 0.443 28 A N 0.740 123.563 122.820 0.005 0.000 1.881 28 A HA -0.302 4.019 4.320 0.001 0.000 0.219 28 A C 2.191 179.770 177.584 -0.008 0.000 1.215 28 A CA 2.710 54.739 52.037 -0.012 0.000 0.648 28 A CB -0.630 18.352 19.000 -0.031 0.000 0.832 28 A HN 0.578 nan 8.150 nan 0.000 0.455 29 K N -0.352 120.046 120.400 -0.004 0.000 2.209 29 K HA -0.199 4.121 4.320 0.001 0.000 0.204 29 K C 1.662 178.262 176.600 -0.000 0.000 1.048 29 K CA 2.104 58.388 56.287 -0.006 0.000 0.940 29 K CB -0.159 32.344 32.500 0.006 0.000 0.729 29 K HN 0.402 nan 8.250 nan 0.000 0.451 30 E N 0.770 120.987 120.200 0.029 0.000 2.112 30 E HA 0.067 4.417 4.350 0.001 0.000 0.190 30 E C 1.807 178.487 176.600 0.133 0.000 0.979 30 E CA 1.295 57.735 56.400 0.067 0.000 0.814 30 E CB -0.193 29.562 29.700 0.092 0.000 0.762 30 E HN 0.376 nan 8.360 nan 0.000 0.460 31 A N 0.713 123.605 122.820 0.121 0.000 1.972 31 A HA -0.046 4.275 4.320 0.001 0.000 0.219 31 A C 2.357 179.971 177.584 0.050 0.000 1.169 31 A CA 1.774 53.888 52.037 0.129 0.000 0.635 31 A CB -0.808 18.195 19.000 0.006 0.000 0.810 31 A HN 0.335 nan 8.150 nan 0.000 0.446 32 A N 0.039 122.853 122.820 -0.009 0.000 1.972 32 A HA -0.152 4.168 4.320 0.001 0.000 0.219 32 A C 2.020 179.552 177.584 -0.086 0.000 1.169 32 A CA 1.681 53.686 52.037 -0.053 0.000 0.635 32 A CB -0.425 18.542 19.000 -0.055 0.000 0.810 32 A HN 0.553 nan 8.150 nan 0.000 0.446 33 K N -1.299 119.013 120.400 -0.147 0.000 2.218 33 K HA -0.149 4.171 4.320 0.001 0.000 0.205 33 K C 0.551 176.894 176.600 -0.427 0.000 1.046 33 K CA 1.467 57.552 56.287 -0.337 0.000 0.933 33 K CB -0.315 31.863 32.500 -0.536 0.000 0.728 33 K HN 0.596 nan 8.250 nan 0.000 0.454 34 F N 0.748 120.672 119.950 -0.044 0.000 2.645 34 F HA 0.070 4.597 4.527 0.000 0.000 0.300 34 F C -0.171 175.586 175.800 -0.071 0.000 1.115 34 F CA -0.483 57.496 58.000 -0.034 0.000 1.355 34 F CB -0.100 38.908 39.000 0.014 0.000 1.026 34 F HN 0.001 nan 8.300 nan 0.000 0.536 35 D N 1.930 122.339 120.400 0.015 0.000 3.082 35 D HA -0.190 4.450 4.640 0.001 0.000 0.234 35 D C -0.659 175.617 176.300 -0.039 0.000 1.159 35 D CA 0.599 54.589 54.000 -0.017 0.000 0.875 35 D CB -0.221 40.577 40.800 -0.004 0.000 0.946 35 D HN 0.013 nan 8.370 nan 0.000 0.411 36 K N 1.601 121.942 120.400 -0.099 0.000 2.435 36 K HA 0.368 4.689 4.320 0.001 0.000 0.251 36 K C -0.034 176.491 176.600 -0.126 0.000 0.954 36 K CA -0.905 55.288 56.287 -0.156 0.000 0.820 36 K CB 1.358 33.633 32.500 -0.375 0.000 1.292 36 K HN 0.101 nan 8.250 nan 0.000 0.436 37 K N 1.577 121.920 120.400 -0.095 0.000 2.363 37 K HA 0.217 4.537 4.320 0.001 0.000 0.289 37 K C -0.118 176.423 176.600 -0.098 0.000 1.063 37 K CA -0.237 56.007 56.287 -0.072 0.000 0.967 37 K CB 0.198 32.676 32.500 -0.036 0.000 0.987 37 K HN 0.176 nan 8.250 nan 0.000 0.473 38 V N 4.406 124.263 119.914 -0.095 0.000 2.628 38 V HA 0.471 4.591 4.120 0.001 0.000 0.306 38 V C -0.280 175.755 176.094 -0.097 0.000 1.045 38 V CA -0.959 61.278 62.300 -0.104 0.000 0.905 38 V CB 1.839 33.603 31.823 -0.098 0.000 0.997 38 V HN 0.777 nan 8.190 nan 0.000 0.436 39 M N 3.900 123.425 119.600 -0.124 0.000 2.267 39 M HA 0.622 5.102 4.480 0.001 0.000 0.289 39 M C -1.874 174.356 176.300 -0.118 0.000 1.043 39 M CA -0.504 54.714 55.300 -0.137 0.000 0.928 39 M CB 2.035 34.500 32.600 -0.225 0.000 1.613 39 M HN 0.482 nan 8.290 nan 0.000 0.450 40 V N 5.839 125.724 119.914 -0.049 0.000 2.427 40 V HA 0.472 4.592 4.120 0.001 0.000 0.286 40 V C -0.476 175.635 176.094 0.029 0.000 1.034 40 V CA -0.615 61.684 62.300 -0.001 0.000 0.893 40 V CB 1.636 33.487 31.823 0.047 0.000 0.982 40 V HN 0.760 nan 8.190 nan 0.000 0.452 41 L N 4.296 125.510 121.223 -0.015 0.000 2.298 41 L HA 0.575 4.915 4.340 0.001 0.000 0.284 41 L C -0.662 176.255 176.870 0.078 0.000 1.013 41 L CA -0.167 54.669 54.840 -0.008 0.000 0.824 41 L CB 1.514 43.517 42.059 -0.094 0.000 1.221 41 L HN 0.618 nan 8.230 nan 0.000 0.418 42 D N 2.487 123.021 120.400 0.224 0.000 2.498 42 D HA 0.604 5.244 4.640 0.001 0.000 0.247 42 D C -1.578 174.875 176.300 0.255 0.000 1.070 42 D CA -0.140 53.989 54.000 0.214 0.000 0.842 42 D CB 1.789 42.723 40.800 0.224 0.000 1.361 42 D HN 0.233 nan 8.370 nan 0.000 0.484 43 F N 3.314 123.289 119.950 0.043 0.000 2.588 43 F HA 0.392 4.920 4.527 0.001 0.000 0.318 43 F C -1.472 174.345 175.800 0.029 0.000 1.155 43 F CA -0.766 57.267 58.000 0.055 0.000 0.967 43 F CB 1.559 40.628 39.000 0.115 0.000 1.236 43 F HN 0.132 nan 8.300 nan 0.000 0.455 44 V N 4.651 124.282 119.914 -0.472 0.000 2.304 44 V HA 0.179 4.300 4.120 0.001 0.000 0.262 44 V C 0.353 176.245 176.094 -0.337 0.000 1.061 44 V CA -0.399 61.636 62.300 -0.442 0.000 0.872 44 V CB 0.788 32.090 31.823 -0.869 0.000 1.077 44 V HN 0.804 nan 8.190 nan 0.000 0.480 45 T N 5.532 120.154 114.554 0.112 0.000 2.831 45 T HA 0.181 4.531 4.350 0.001 0.000 0.291 45 T C -2.031 172.640 174.700 -0.048 0.000 0.981 45 T CA -0.793 61.415 62.100 0.181 0.000 1.174 45 T CB 0.561 69.571 68.868 0.235 0.000 0.929 45 T HN 0.411 nan 8.240 nan 0.000 0.532 46 P HA 0.199 nan 4.420 nan 0.000 0.271 46 P C 0.442 177.739 177.300 -0.005 0.000 1.218 46 P CA -0.386 62.657 63.100 -0.096 0.000 0.780 46 P CB 0.392 32.067 31.700 -0.042 0.000 0.901 47 T N 0.348 114.925 114.554 0.040 0.000 2.748 47 T HA 0.132 4.483 4.350 0.001 0.000 0.304 47 T C -1.603 173.154 174.700 0.094 0.000 1.041 47 T CA -1.122 61.058 62.100 0.134 0.000 1.033 47 T CB -0.418 68.583 68.868 0.222 0.000 0.995 47 T HN 0.168 nan 8.240 nan 0.000 0.536 48 P HA -0.149 nan 4.420 nan 0.000 0.216 48 P C 1.174 178.493 177.300 0.033 0.000 1.167 48 P CA 1.348 64.455 63.100 0.011 0.000 0.933 48 P CB -0.219 31.445 31.700 -0.060 0.000 0.793 49 L N -2.258 119.012 121.223 0.079 0.000 2.693 49 L HA 0.256 4.596 4.340 0.001 0.000 0.242 49 L C 1.251 178.172 176.870 0.084 0.000 1.157 49 L CA 0.937 55.826 54.840 0.082 0.000 0.929 49 L CB -1.401 40.727 42.059 0.115 0.000 1.103 49 L HN 0.123 nan 8.230 nan 0.000 0.430 50 G N -0.516 108.327 108.800 0.071 0.000 2.291 50 G HA2 -0.246 3.714 3.960 0.001 0.000 0.271 50 G HA3 -0.246 3.714 3.960 0.001 0.000 0.271 50 G C 0.165 175.101 174.900 0.060 0.000 1.099 50 G CA 0.194 45.326 45.100 0.052 0.000 0.919 50 G HN 0.281 nan 8.290 nan 0.000 0.496 51 T N -0.067 114.539 114.554 0.087 0.000 2.928 51 T HA 0.770 5.121 4.350 0.001 0.000 0.284 51 T C 0.616 175.305 174.700 -0.018 0.000 1.008 51 T CA -0.355 61.824 62.100 0.132 0.000 1.057 51 T CB 1.975 71.014 68.868 0.284 0.000 1.018 51 T HN 0.548 nan 8.240 nan 0.000 0.493 52 R N 0.241 120.749 120.500 0.014 0.000 2.888 52 R HA 0.763 5.103 4.340 0.001 0.000 0.264 52 R C -1.523 174.826 176.300 0.082 0.000 1.045 52 R CA -1.025 54.941 56.100 -0.222 0.000 0.962 52 R CB 2.046 32.250 30.300 -0.160 0.000 1.210 52 R HN 0.846 nan 8.270 nan 0.000 0.479 53 W N -1.473 119.828 121.300 0.002 0.000 2.982 53 W HA 0.610 5.271 4.660 0.001 0.000 0.344 53 W C -0.849 175.673 176.519 0.005 0.000 1.215 53 W CA -1.168 56.188 57.345 0.019 0.000 1.182 53 W CB -0.145 29.338 29.460 0.039 0.000 1.437 53 W HN 0.695 nan 8.180 nan 0.000 0.570 54 G N 0.547 109.538 108.800 0.318 0.000 2.525 54 G HA2 0.469 4.430 3.960 0.001 0.000 0.287 54 G HA3 0.469 4.430 3.960 0.001 0.000 0.287 54 G C -0.939 174.072 174.900 0.185 0.000 1.350 54 G CA -1.047 44.170 45.100 0.196 0.000 1.039 54 G HN 0.867 nan 8.290 nan 0.000 0.513 55 L N 0.025 121.292 121.223 0.073 0.000 2.514 55 L HA 0.397 4.737 4.340 0.001 0.000 0.280 55 L C 1.430 178.266 176.870 -0.057 0.000 1.223 55 L CA 2.314 57.114 54.840 -0.067 0.000 0.864 55 L CB 0.879 42.757 42.059 -0.301 0.000 1.118 55 L HN 1.197 nan 8.230 nan 0.000 0.494 56 G N 1.228 109.910 108.800 -0.195 0.000 2.705 56 G HA2 0.306 4.266 3.960 0.001 0.000 0.193 56 G HA3 0.306 4.266 3.960 0.001 0.000 0.193 56 G C 0.781 175.550 174.900 -0.218 0.000 1.015 56 G CA 0.135 45.016 45.100 -0.366 0.000 0.743 56 G HN 1.858 nan 8.290 nan 0.000 0.476 57 G N -0.984 107.802 108.800 -0.023 0.000 2.615 57 G HA2 0.105 4.066 3.960 0.001 0.000 0.218 57 G HA3 0.105 4.066 3.960 0.001 0.000 0.218 57 G C 0.795 175.723 174.900 0.046 0.000 1.339 57 G CA 0.802 45.933 45.100 0.053 0.000 0.884 57 G HN 1.176 nan 8.290 nan 0.000 0.559 58 T N -0.489 114.093 114.554 0.048 0.000 2.812 58 T HA -0.096 4.255 4.350 0.001 0.000 0.264 58 T C 2.427 177.089 174.700 -0.063 0.000 1.042 58 T CA 2.318 64.418 62.100 0.001 0.000 1.140 58 T CB -0.609 68.306 68.868 0.078 0.000 0.870 58 T HN 1.029 nan 8.240 nan 0.000 0.445 59 c N 1.489 120.072 118.600 -0.030 0.000 2.413 59 c HA -0.084 4.487 4.570 0.001 0.000 0.278 59 c C 2.778 176.812 174.090 -0.093 0.000 1.224 59 c CA 0.759 57.064 56.329 -0.040 0.000 1.732 59 c CB -1.228 41.274 42.510 -0.013 0.000 2.050 59 c HN 0.381 nan 8.230 nan 0.000 0.463 60 V N 1.752 121.619 119.914 -0.079 0.000 2.332 60 V HA -0.192 3.928 4.120 0.001 0.000 0.248 60 V C 2.245 178.252 176.094 -0.145 0.000 1.055 60 V CA 2.483 64.743 62.300 -0.068 0.000 1.038 60 V CB -0.675 31.146 31.823 -0.003 0.000 0.651 60 V HN 0.609 nan 8.190 nan 0.000 0.450 61 N N -0.287 118.270 118.700 -0.238 0.000 2.482 61 N HA 0.041 4.782 4.740 0.001 0.000 0.179 61 N C 1.030 176.250 175.510 -0.484 0.000 1.039 61 N CA 1.502 54.318 53.050 -0.391 0.000 0.884 61 N CB 1.266 39.341 38.487 -0.686 0.000 1.113 61 N HN 0.532 nan 8.380 nan 0.000 0.440 62 V N -3.012 116.632 119.914 -0.451 0.000 3.157 62 V HA 0.608 4.729 4.120 0.001 0.000 0.361 62 V C 0.573 176.696 176.094 0.049 0.000 1.421 62 V CA -0.308 61.883 62.300 -0.182 0.000 1.213 62 V CB 0.540 32.103 31.823 -0.433 0.000 1.164 62 V HN 0.119 nan 8.190 nan 0.000 0.559 63 G N 0.135 108.860 108.800 -0.125 0.000 3.259 63 G HA2 0.203 4.163 3.960 0.001 0.000 0.193 63 G HA3 0.203 4.163 3.960 0.001 0.000 0.193 63 G C 1.037 175.854 174.900 -0.138 0.000 1.457 63 G CA 0.716 45.809 45.100 -0.013 0.000 0.771 63 G HN 0.279 nan 8.290 nan 0.000 0.765 64 c N 1.015 119.572 118.600 -0.072 0.000 2.413 64 c HA 0.010 4.580 4.570 0.001 0.000 0.277 64 c C 2.759 176.722 174.090 -0.210 0.000 1.228 64 c CA 0.337 56.609 56.329 -0.095 0.000 1.731 64 c CB -1.287 41.198 42.510 -0.041 0.000 2.042 64 c HN 0.388 nan 8.230 nan 0.000 0.468 65 I N 2.611 123.062 120.570 -0.199 0.000 2.076 65 I HA -0.112 4.058 4.170 0.001 0.000 0.237 65 I C 0.104 176.025 176.117 -0.327 0.000 1.059 65 I CA 1.677 62.858 61.300 -0.198 0.000 1.317 65 I CB -2.727 35.210 38.000 -0.105 0.000 1.037 65 I HN 0.231 nan 8.210 nan 0.000 0.398 66 P HA -0.158 nan 4.420 nan 0.000 0.221 66 P C 1.624 178.384 177.300 -0.899 0.000 1.150 66 P CA 1.353 64.028 63.100 -0.709 0.000 0.800 66 P CB -0.063 31.055 31.700 -0.970 0.000 0.787 67 K N 1.330 121.204 120.400 -0.877 0.000 2.001 67 K HA -0.157 4.163 4.320 0.001 0.000 0.208 67 K C 2.140 178.538 176.600 -0.335 0.000 1.048 67 K CA 1.599 57.596 56.287 -0.483 0.000 0.932 67 K CB -0.485 31.965 32.500 -0.084 0.000 0.715 67 K HN -0.127 nan 8.250 nan 0.000 0.437 68 K N 1.065 121.266 120.400 -0.332 0.000 2.032 68 K HA -0.064 4.257 4.320 0.001 0.000 0.209 68 K C 2.318 178.761 176.600 -0.262 0.000 1.048 68 K CA 1.300 57.394 56.287 -0.322 0.000 0.927 68 K CB -0.353 31.909 32.500 -0.397 0.000 0.712 68 K HN 0.154 nan 8.250 nan 0.000 0.441 69 L N 0.054 121.090 121.223 -0.312 0.000 1.989 69 L HA -0.235 4.106 4.340 0.001 0.000 0.211 69 L C 2.576 179.256 176.870 -0.316 0.000 1.071 69 L CA 1.709 56.375 54.840 -0.291 0.000 0.749 69 L CB -0.439 41.450 42.059 -0.282 0.000 0.890 69 L HN 0.317 nan 8.230 nan 0.000 0.431 70 M N -1.543 117.781 119.600 -0.461 0.000 2.213 70 M HA -0.213 4.268 4.480 0.001 0.000 0.263 70 M C 2.312 178.369 176.300 -0.404 0.000 1.062 70 M CA 1.357 56.290 55.300 -0.612 0.000 1.105 70 M CB -0.796 31.072 32.600 -1.221 0.000 1.385 70 M HN 0.300 nan 8.290 nan 0.000 0.417 71 H N 0.845 119.700 119.070 -0.359 0.000 2.293 71 H HA -0.208 4.348 4.556 0.001 0.000 0.300 71 H C 2.031 177.319 175.328 -0.067 0.000 1.082 71 H CA 2.383 58.391 56.048 -0.065 0.000 1.308 71 H CB -0.303 29.436 29.762 -0.038 0.000 1.375 71 H HN 0.272 nan 8.280 nan 0.000 0.495 72 Q N 0.533 120.189 119.800 -0.240 0.000 2.061 72 Q HA -0.125 4.216 4.340 0.001 0.000 0.204 72 Q C 2.435 178.315 176.000 -0.199 0.000 0.984 72 Q CA 2.183 57.820 55.803 -0.276 0.000 0.846 72 Q CB -0.914 27.694 28.738 -0.216 0.000 0.902 72 Q HN 0.555 nan 8.270 nan 0.000 0.421 73 A N 0.442 123.163 122.820 -0.163 0.000 1.903 73 A HA -0.224 4.097 4.320 0.001 0.000 0.219 73 A C 2.337 179.859 177.584 -0.103 0.000 1.191 73 A CA 2.592 54.559 52.037 -0.117 0.000 0.638 73 A CB -1.461 17.468 19.000 -0.117 0.000 0.823 73 A HN 0.600 nan 8.150 nan 0.000 0.451 74 A N -0.511 122.268 122.820 -0.068 0.000 1.877 74 A HA -0.051 4.269 4.320 0.001 0.000 0.216 74 A C 2.209 179.767 177.584 -0.044 0.000 1.186 74 A CA 1.546 53.577 52.037 -0.009 0.000 0.620 74 A CB -0.662 18.421 19.000 0.138 0.000 0.822 74 A HN 0.495 nan 8.150 nan 0.000 0.443 75 L N -0.686 120.467 121.223 -0.118 0.000 2.042 75 L HA -0.214 4.126 4.340 0.001 0.000 0.210 75 L C 2.584 179.402 176.870 -0.085 0.000 1.076 75 L CA 1.263 56.031 54.840 -0.121 0.000 0.749 75 L CB -0.610 41.317 42.059 -0.218 0.000 0.893 75 L HN 0.383 nan 8.230 nan 0.000 0.432 76 L N -0.503 120.662 121.223 -0.097 0.000 2.127 76 L HA -0.159 4.181 4.340 0.001 0.000 0.211 76 L C 2.624 179.462 176.870 -0.053 0.000 1.089 76 L CA 1.249 56.042 54.840 -0.079 0.000 0.757 76 L CB -1.014 40.995 42.059 -0.083 0.000 0.899 76 L HN 0.331 nan 8.230 nan 0.000 0.434 77 G N -1.059 107.717 108.800 -0.039 0.000 2.402 77 G HA2 -0.312 3.648 3.960 0.001 0.000 0.216 77 G HA3 -0.312 3.648 3.960 0.001 0.000 0.216 77 G C 1.506 176.398 174.900 -0.014 0.000 1.162 77 G CA 0.463 45.553 45.100 -0.016 0.000 0.777 77 G HN 0.235 nan 8.290 nan 0.000 0.539 78 Q N 1.087 120.873 119.800 -0.023 0.000 2.061 78 Q HA 0.037 4.377 4.340 0.001 0.000 0.204 78 Q C 2.741 178.726 176.000 -0.026 0.000 0.984 78 Q CA 2.021 57.808 55.803 -0.026 0.000 0.846 78 Q CB -0.942 27.771 28.738 -0.042 0.000 0.902 78 Q HN 0.358 nan 8.270 nan 0.000 0.421 79 A N 0.455 123.252 122.820 -0.037 0.000 1.917 79 A HA -0.186 4.134 4.320 0.001 0.000 0.219 79 A C 2.175 179.734 177.584 -0.042 0.000 1.182 79 A CA 1.676 53.685 52.037 -0.047 0.000 0.633 79 A CB -0.915 18.038 19.000 -0.078 0.000 0.819 79 A HN 0.465 nan 8.150 nan 0.000 0.448 80 L N -1.092 120.108 121.223 -0.039 0.000 2.042 80 L HA -0.241 4.099 4.340 0.001 0.000 0.210 80 L C 2.607 179.489 176.870 0.021 0.000 1.076 80 L CA 2.086 56.913 54.840 -0.022 0.000 0.749 80 L CB -0.693 41.358 42.059 -0.013 0.000 0.893 80 L HN 0.408 nan 8.230 nan 0.000 0.432 81 K N -0.044 120.371 120.400 0.026 0.000 2.057 81 K HA -0.175 4.145 4.320 0.001 0.000 0.207 81 K C 1.732 178.379 176.600 0.079 0.000 1.049 81 K CA 1.581 57.895 56.287 0.046 0.000 0.931 81 K CB -0.064 32.454 32.500 0.031 0.000 0.714 81 K HN 0.268 nan 8.250 nan 0.000 0.440 82 D N -0.142 120.310 120.400 0.087 0.000 2.144 82 D HA -0.114 4.526 4.640 0.001 0.000 0.200 82 D C 1.908 178.372 176.300 0.275 0.000 0.978 82 D CA 1.374 55.477 54.000 0.171 0.000 0.833 82 D CB -0.260 40.638 40.800 0.164 0.000 0.961 82 D HN 0.185 nan 8.370 nan 0.000 0.470 83 S N 0.359 116.180 115.700 0.202 0.000 2.465 83 S HA -0.186 4.284 4.470 0.001 0.000 0.241 83 S C 1.901 176.750 174.600 0.414 0.000 1.000 83 S CA 0.701 59.088 58.200 0.313 0.000 0.964 83 S CB -0.150 63.100 63.200 0.084 0.000 0.763 83 S HN 0.133 nan 8.310 nan 0.000 0.512 84 R N 2.053 122.711 120.500 0.263 0.000 2.070 84 R HA 0.003 4.344 4.340 0.001 0.000 0.233 84 R C 1.845 178.248 176.300 0.172 0.000 1.137 84 R CA 1.847 58.067 56.100 0.200 0.000 0.945 84 R CB -0.359 30.017 30.300 0.127 0.000 0.845 84 R HN 0.496 nan 8.270 nan 0.000 0.430 85 N N -0.506 118.285 118.700 0.152 0.000 2.512 85 N HA -0.133 4.607 4.740 0.001 0.000 0.183 85 N C 0.540 176.030 175.510 -0.034 0.000 1.073 85 N CA 0.833 53.904 53.050 0.036 0.000 0.911 85 N CB 0.119 38.588 38.487 -0.029 0.000 0.964 85 N HN 0.358 nan 8.380 nan 0.000 0.447 86 Y N 0.097 120.467 120.300 0.117 0.000 2.466 86 Y HA 0.211 4.762 4.550 0.001 0.000 0.272 86 Y C 1.675 177.565 175.900 -0.015 0.000 1.169 86 Y CA 0.177 58.338 58.100 0.103 0.000 1.285 86 Y CB 0.268 38.858 38.460 0.215 0.000 1.078 86 Y HN 0.113 nan 8.280 nan 0.000 0.523 87 G N -1.514 107.334 108.800 0.080 0.000 2.144 87 G HA2 -0.258 3.703 3.960 0.001 0.000 0.218 87 G HA3 -0.258 3.703 3.960 0.001 0.000 0.218 87 G C -0.413 174.366 174.900 -0.201 0.000 0.988 87 G CA -0.617 44.425 45.100 -0.096 0.000 0.659 87 G HN 0.275 nan 8.290 nan 0.000 0.522 88 W N 1.492 122.838 121.300 0.078 0.000 2.345 88 W HA 0.581 5.241 4.660 0.001 0.000 0.308 88 W C 0.933 177.477 176.519 0.042 0.000 1.273 88 W CA -0.665 56.712 57.345 0.054 0.000 1.243 88 W CB 0.705 30.196 29.460 0.051 0.000 1.260 88 W HN -0.020 nan 8.180 nan 0.000 0.509 89 K N 3.928 124.454 120.400 0.210 0.000 2.081 89 K HA 0.079 4.400 4.320 0.001 0.000 0.230 89 K C -0.336 176.351 176.600 0.145 0.000 1.199 89 K CA -0.391 55.973 56.287 0.129 0.000 1.130 89 K CB -0.151 32.397 32.500 0.080 0.000 1.386 89 K HN 0.162 nan 8.250 nan 0.000 0.280 90 L N 2.719 124.030 121.223 0.147 0.000 2.326 90 L HA 0.127 4.468 4.340 0.001 0.000 0.278 90 L C 0.397 177.314 176.870 0.078 0.000 1.092 90 L CA -0.436 54.471 54.840 0.113 0.000 0.810 90 L CB 0.883 43.009 42.059 0.112 0.000 1.153 90 L HN 0.468 nan 8.230 nan 0.000 0.439 91 E N 2.770 123.008 120.200 0.063 0.000 2.410 91 E HA -0.024 4.327 4.350 0.001 0.000 0.255 91 E C 0.429 177.056 176.600 0.046 0.000 1.194 91 E CA 0.304 56.733 56.400 0.049 0.000 0.955 91 E CB 0.346 30.071 29.700 0.041 0.000 0.988 91 E HN 0.667 nan 8.360 nan 0.000 0.461 92 D N 0.065 120.489 120.400 0.039 0.000 2.117 92 D HA -0.032 4.609 4.640 0.001 0.000 0.198 92 D C -0.305 176.018 176.300 0.038 0.000 0.982 92 D CA 1.341 55.363 54.000 0.037 0.000 0.828 92 D CB 0.226 41.045 40.800 0.031 0.000 0.967 92 D HN 0.545 nan 8.370 nan 0.000 0.464 93 T N 0.245 114.821 114.554 0.037 0.000 2.971 93 T HA 0.386 4.737 4.350 0.001 0.000 0.304 93 T C -0.444 174.280 174.700 0.041 0.000 1.038 93 T CA -0.713 61.411 62.100 0.039 0.000 1.007 93 T CB 2.861 71.751 68.868 0.037 0.000 1.055 93 T HN -0.297 nan 8.240 nan 0.000 0.451 94 V N 3.408 123.348 119.914 0.044 0.000 2.481 94 V HA 0.438 4.558 4.120 0.001 0.000 0.286 94 V C 0.294 176.427 176.094 0.064 0.000 1.042 94 V CA -0.756 61.572 62.300 0.046 0.000 0.928 94 V CB 1.436 33.283 31.823 0.040 0.000 0.986 94 V HN 0.712 nan 8.190 nan 0.000 0.462 95 K N 2.643 123.083 120.400 0.066 0.000 2.095 95 K HA 0.432 4.752 4.320 0.001 0.000 0.252 95 K C -0.437 176.238 176.600 0.125 0.000 0.977 95 K CA -0.682 55.660 56.287 0.092 0.000 0.900 95 K CB 1.002 33.543 32.500 0.069 0.000 1.060 95 K HN 0.755 nan 8.250 nan 0.000 0.449 96 H N 1.271 120.378 119.070 0.062 0.000 2.472 96 H HA 0.146 4.702 4.556 0.001 0.000 0.338 96 H C -1.342 174.046 175.328 0.099 0.000 1.133 96 H CA -0.437 55.656 56.048 0.074 0.000 1.216 96 H CB 1.680 31.501 29.762 0.097 0.000 1.497 96 H HN 0.540 nan 8.280 nan 0.000 0.500 97 D N 5.384 125.405 120.400 -0.633 0.000 2.464 97 D HA -0.038 4.602 4.640 0.001 0.000 0.243 97 D C 1.043 177.117 176.300 -0.376 0.000 1.104 97 D CA -0.517 53.288 54.000 -0.326 0.000 0.883 97 D CB 0.118 40.806 40.800 -0.188 0.000 1.050 97 D HN 0.656 nan 8.370 nan 0.000 0.524 98 W N 4.889 126.078 121.300 -0.184 0.000 2.318 98 W HA -0.218 4.442 4.660 0.001 0.000 0.313 98 W C 1.080 177.594 176.519 -0.009 0.000 1.221 98 W CA 1.431 58.783 57.345 0.012 0.000 1.266 98 W CB 0.302 29.826 29.460 0.105 0.000 1.150 98 W HN 0.511 nan 8.180 nan 0.000 0.496 99 E N 0.523 120.811 120.200 0.146 0.000 2.031 99 E HA -0.276 4.075 4.350 0.001 0.000 0.193 99 E C 1.897 178.451 176.600 -0.077 0.000 0.994 99 E CA 1.562 58.004 56.400 0.070 0.000 0.800 99 E CB -0.807 28.970 29.700 0.127 0.000 0.752 99 E HN 0.061 nan 8.360 nan 0.000 0.447 100 K N 1.518 121.863 120.400 -0.092 0.000 2.113 100 K HA -0.169 4.152 4.320 0.001 0.000 0.208 100 K C 2.105 178.611 176.600 -0.157 0.000 1.047 100 K CA 1.505 57.724 56.287 -0.112 0.000 0.928 100 K CB -0.336 32.095 32.500 -0.116 0.000 0.716 100 K HN 0.166 nan 8.250 nan 0.000 0.446 101 M N 0.074 119.534 119.600 -0.234 0.000 2.062 101 M HA -0.168 4.312 4.480 0.001 0.000 0.259 101 M C 1.833 177.952 176.300 -0.302 0.000 1.076 101 M CA 2.537 57.690 55.300 -0.245 0.000 1.122 101 M CB -0.554 31.915 32.600 -0.219 0.000 1.312 101 M HN 0.357 nan 8.290 nan 0.000 0.412 102 T N -1.831 112.440 114.554 -0.472 0.000 2.897 102 T HA -0.198 4.152 4.350 0.001 0.000 0.271 102 T C 1.603 176.194 174.700 -0.181 0.000 1.084 102 T CA 1.688 63.550 62.100 -0.397 0.000 1.123 102 T CB -0.688 67.888 68.868 -0.488 0.000 0.865 102 T HN 0.626 nan 8.240 nan 0.000 0.496 103 E N 1.228 121.343 120.200 -0.141 0.000 2.047 103 E HA -0.129 4.221 4.350 0.001 0.000 0.191 103 E C 2.272 178.831 176.600 -0.068 0.000 0.987 103 E CA 1.363 57.720 56.400 -0.072 0.000 0.799 103 E CB -0.173 29.495 29.700 -0.052 0.000 0.752 103 E HN 0.619 nan 8.360 nan 0.000 0.449 104 S N 0.244 115.890 115.700 -0.089 0.000 2.383 104 S HA -0.115 4.355 4.470 0.001 0.000 0.227 104 S C 2.098 176.662 174.600 -0.061 0.000 1.026 104 S CA 1.027 59.184 58.200 -0.072 0.000 0.981 104 S CB -0.142 63.005 63.200 -0.089 0.000 0.818 104 S HN 0.128 nan 8.310 nan 0.000 0.472 105 V N 2.175 122.028 119.914 -0.101 0.000 2.261 105 V HA -0.189 3.932 4.120 0.001 0.000 0.246 105 V C 2.710 178.778 176.094 -0.045 0.000 1.047 105 V CA 1.545 63.785 62.300 -0.100 0.000 1.015 105 V CB -0.730 30.991 31.823 -0.171 0.000 0.642 105 V HN 0.389 nan 8.190 nan 0.000 0.446 106 Q N 0.154 119.928 119.800 -0.044 0.000 2.096 106 Q HA -0.184 4.156 4.340 0.001 0.000 0.204 106 Q C 2.193 178.192 176.000 -0.002 0.000 0.982 106 Q CA 1.474 57.270 55.803 -0.012 0.000 0.850 106 Q CB -0.848 27.894 28.738 0.006 0.000 0.901 106 Q HN 0.681 nan 8.270 nan 0.000 0.422 107 N N 0.058 118.756 118.700 -0.002 0.000 2.094 107 N HA -0.214 4.526 4.740 0.001 0.000 0.191 107 N C 1.773 177.296 175.510 0.022 0.000 1.023 107 N CA 1.425 54.478 53.050 0.005 0.000 0.857 107 N CB -0.209 38.278 38.487 -0.001 0.000 1.013 107 N HN 0.368 nan 8.380 nan 0.000 0.426 108 H N 1.034 120.070 119.070 -0.056 0.000 2.333 108 H HA 0.124 4.680 4.556 0.001 0.000 0.302 108 H C 2.192 177.497 175.328 -0.038 0.000 1.075 108 H CA 1.050 57.064 56.048 -0.057 0.000 1.348 108 H CB -0.220 29.491 29.762 -0.084 0.000 1.393 108 H HN 0.100 nan 8.280 nan 0.000 0.509 109 I N 0.036 120.546 120.570 -0.100 0.000 2.091 109 I HA -0.295 3.875 4.170 0.001 0.000 0.239 109 I C 2.771 178.841 176.117 -0.077 0.000 1.061 109 I CA 1.505 62.737 61.300 -0.112 0.000 1.317 109 I CB -0.838 37.130 38.000 -0.055 0.000 1.031 109 I HN 0.499 nan 8.210 nan 0.000 0.401 110 G N 0.590 109.376 108.800 -0.023 0.000 2.556 110 G HA2 -0.391 3.569 3.960 0.001 0.000 0.220 110 G HA3 -0.391 3.569 3.960 0.001 0.000 0.220 110 G C 1.754 176.673 174.900 0.032 0.000 1.156 110 G CA 1.576 46.691 45.100 0.026 0.000 0.766 110 G HN 0.538 nan 8.290 nan 0.000 0.583 111 S N 0.275 115.946 115.700 -0.047 0.000 2.423 111 S HA 0.077 4.548 4.470 0.001 0.000 0.231 111 S C 2.354 176.913 174.600 -0.068 0.000 1.014 111 S CA 1.095 59.274 58.200 -0.034 0.000 0.965 111 S CB -0.283 62.870 63.200 -0.080 0.000 0.785 111 S HN 0.335 nan 8.310 nan 0.000 0.495 112 L N 1.629 122.746 121.223 -0.176 0.000 2.027 112 L HA -0.088 4.252 4.340 0.001 0.000 0.206 112 L C 2.554 179.448 176.870 0.041 0.000 1.074 112 L CA 1.629 56.379 54.840 -0.150 0.000 0.745 112 L CB -1.071 40.901 42.059 -0.145 0.000 0.898 112 L HN 0.391 nan 8.230 nan 0.000 0.433 113 N N -0.616 118.152 118.700 0.113 0.000 2.036 113 N HA -0.308 4.433 4.740 0.001 0.000 0.199 113 N C 1.745 177.340 175.510 0.141 0.000 1.036 113 N CA 1.946 55.096 53.050 0.166 0.000 0.870 113 N CB -0.279 38.318 38.487 0.184 0.000 1.055 113 N HN 0.410 nan 8.380 nan 0.000 0.436 114 W N 1.796 123.084 121.300 -0.019 0.000 2.355 114 W HA -0.109 4.551 4.660 0.000 0.000 0.309 114 W C 2.330 178.809 176.519 -0.066 0.000 1.206 114 W CA 1.513 58.839 57.345 -0.032 0.000 1.284 114 W CB -0.609 28.828 29.460 -0.039 0.000 1.145 114 W HN 0.146 nan 8.180 nan 0.000 0.502 115 G N -0.327 108.448 108.800 -0.041 0.000 2.505 115 G HA2 -0.370 3.590 3.960 0.001 0.000 0.220 115 G HA3 -0.370 3.590 3.960 0.001 0.000 0.220 115 G C 1.128 175.818 174.900 -0.350 0.000 1.145 115 G CA 1.374 46.340 45.100 -0.224 0.000 0.761 115 G HN 0.301 nan 8.290 nan 0.000 0.571 116 Y N 0.084 120.254 120.300 -0.217 0.000 2.200 116 Y HA 0.029 4.579 4.550 0.000 0.000 0.290 116 Y C 2.938 178.614 175.900 -0.374 0.000 1.137 116 Y CA 1.305 59.251 58.100 -0.256 0.000 1.163 116 Y CB -0.421 37.899 38.460 -0.234 0.000 0.988 116 Y HN 0.091 nan 8.280 nan 0.000 0.518 117 R N -0.072 120.202 120.500 -0.377 0.000 2.091 117 R HA -0.158 4.182 4.340 0.001 0.000 0.238 117 R C 2.048 178.043 176.300 -0.508 0.000 1.136 117 R CA 1.689 57.447 56.100 -0.570 0.000 0.959 117 R CB -0.529 29.251 30.300 -0.866 0.000 0.856 117 R HN 0.187 nan 8.270 nan 0.000 0.437 118 V N 0.587 120.154 119.914 -0.577 0.000 2.307 118 V HA -0.213 3.907 4.120 0.001 0.000 0.245 118 V C 2.399 178.373 176.094 -0.199 0.000 1.045 118 V CA 1.904 63.996 62.300 -0.346 0.000 1.024 118 V CB -0.698 30.978 31.823 -0.244 0.000 0.651 118 V HN 0.556 nan 8.190 nan 0.000 0.449 119 A N -0.262 122.444 122.820 -0.190 0.000 1.908 119 A HA -0.174 4.147 4.320 0.001 0.000 0.218 119 A C 2.218 179.747 177.584 -0.093 0.000 1.181 119 A CA 1.839 53.802 52.037 -0.124 0.000 0.627 119 A CB -0.533 18.397 19.000 -0.116 0.000 0.818 119 A HN 0.506 nan 8.150 nan 0.000 0.445 120 L N -1.344 119.815 121.223 -0.106 0.000 2.017 120 L HA -0.180 4.160 4.340 0.001 0.000 0.208 120 L C 2.827 179.656 176.870 -0.068 0.000 1.073 120 L CA 1.767 56.557 54.840 -0.083 0.000 0.745 120 L CB -0.577 41.420 42.059 -0.103 0.000 0.894 120 L HN 0.461 nan 8.230 nan 0.000 0.432 121 R N 0.212 120.661 120.500 -0.084 0.000 2.083 121 R HA -0.191 4.149 4.340 0.001 0.000 0.237 121 R C 2.245 178.516 176.300 -0.048 0.000 1.137 121 R CA 1.621 57.686 56.100 -0.057 0.000 0.951 121 R CB -0.045 30.216 30.300 -0.065 0.000 0.851 121 R HN 0.306 nan 8.270 nan 0.000 0.434 122 E N 0.558 120.723 120.200 -0.058 0.000 2.110 122 E HA -0.159 4.192 4.350 0.001 0.000 0.193 122 E C 1.655 178.227 176.600 -0.046 0.000 0.988 122 E CA 1.085 57.457 56.400 -0.047 0.000 0.804 122 E CB 0.005 29.675 29.700 -0.051 0.000 0.745 122 E HN 0.267 nan 8.360 nan 0.000 0.458 123 K N 0.477 120.847 120.400 -0.051 0.000 2.487 123 K HA 0.060 4.380 4.320 0.001 0.000 0.192 123 K C 0.479 177.051 176.600 -0.046 0.000 1.027 123 K CA 0.002 56.258 56.287 -0.051 0.000 1.054 123 K CB 0.366 32.835 32.500 -0.052 0.000 0.824 123 K HN 0.080 nan 8.250 nan 0.000 0.510 124 K N -0.157 120.219 120.400 -0.040 0.000 3.423 124 K HA -0.113 4.208 4.320 0.001 0.000 0.306 124 K C -0.442 176.138 176.600 -0.033 0.000 1.331 124 K CA 0.224 56.492 56.287 -0.033 0.000 0.905 124 K CB -1.575 30.906 32.500 -0.032 0.000 1.332 124 K HN -0.081 nan 8.250 nan 0.000 0.473 125 V N 1.410 121.302 119.914 -0.036 0.000 2.775 125 V HA 0.116 4.236 4.120 0.001 0.000 0.299 125 V C 0.920 177.004 176.094 -0.016 0.000 1.062 125 V CA -0.502 61.778 62.300 -0.035 0.000 1.063 125 V CB 1.592 33.393 31.823 -0.038 0.000 0.994 125 V HN 0.009 nan 8.190 nan 0.000 0.483 126 V N 4.991 124.892 119.914 -0.021 0.000 2.455 126 V HA 0.159 4.279 4.120 0.001 0.000 0.273 126 V C -0.389 175.724 176.094 0.032 0.000 1.045 126 V CA -0.342 61.953 62.300 -0.009 0.000 0.976 126 V CB 0.480 32.278 31.823 -0.041 0.000 0.993 126 V HN 0.709 nan 8.190 nan 0.000 0.475 127 Y N 4.556 124.804 120.300 -0.086 0.000 2.330 127 Y HA 0.665 5.216 4.550 0.001 0.000 0.336 127 Y C -0.175 175.682 175.900 -0.072 0.000 1.036 127 Y CA -1.388 56.660 58.100 -0.087 0.000 1.125 127 Y CB 1.581 39.989 38.460 -0.088 0.000 1.194 127 Y HN 0.699 nan 8.280 nan 0.000 0.469 128 E N 4.644 124.524 120.200 -0.533 0.000 2.283 128 E HA 0.190 4.541 4.350 0.001 0.000 0.258 128 E C -1.216 174.996 176.600 -0.647 0.000 0.893 128 E CA -0.322 55.760 56.400 -0.531 0.000 0.798 128 E CB 0.542 30.063 29.700 -0.298 0.000 1.242 128 E HN 0.716 nan 8.360 nan 0.000 0.414 129 N N 3.473 121.746 118.700 -0.711 0.000 2.739 129 N HA 0.343 5.083 4.740 0.001 0.000 0.266 129 N C -1.275 174.286 175.510 0.085 0.000 1.168 129 N CA 0.181 53.040 53.050 -0.319 0.000 1.055 129 N CB 0.046 38.404 38.487 -0.215 0.000 1.393 129 N HN 0.393 nan 8.380 nan 0.000 0.514 130 A N 2.866 125.773 122.820 0.145 0.000 2.549 130 A HA 0.225 4.545 4.320 0.001 0.000 0.297 130 A C -1.576 176.079 177.584 0.118 0.000 1.061 130 A CA -0.644 51.501 52.037 0.180 0.000 0.690 130 A CB 0.746 19.771 19.000 0.042 0.000 1.287 130 A HN 0.591 nan 8.150 nan 0.000 0.402 131 Y N 1.447 121.593 120.300 -0.256 0.000 2.544 131 Y HA 0.389 4.940 4.550 0.000 0.000 0.330 131 Y C 1.003 176.830 175.900 -0.122 0.000 1.136 131 Y CA 1.289 59.255 58.100 -0.224 0.000 1.417 131 Y CB 0.672 38.848 38.460 -0.473 0.000 1.229 131 Y HN 0.783 nan 8.280 nan 0.000 0.532 132 G N 6.337 114.909 108.800 -0.380 0.000 2.332 132 G HA2 0.403 4.364 3.960 0.001 0.000 0.310 132 G HA3 0.403 4.364 3.960 0.001 0.000 0.310 132 G C -1.369 173.403 174.900 -0.214 0.000 1.123 132 G CA -0.757 44.200 45.100 -0.238 0.000 0.873 132 G HN 0.600 nan 8.290 nan 0.000 0.460 133 K N 2.451 122.813 120.400 -0.064 0.000 2.565 133 K HA 0.310 4.631 4.320 0.001 0.000 0.249 133 K C -1.019 175.573 176.600 -0.013 0.000 0.958 133 K CA -0.765 55.535 56.287 0.022 0.000 0.806 133 K CB 1.357 33.952 32.500 0.158 0.000 1.194 133 K HN 0.298 nan 8.250 nan 0.000 0.434 134 F N 4.323 124.287 119.950 0.023 0.000 2.607 134 F HA 0.003 4.530 4.527 0.001 0.000 0.374 134 F C 1.613 177.414 175.800 0.002 0.000 1.104 134 F CA 0.359 58.343 58.000 -0.027 0.000 1.296 134 F CB 0.405 39.349 39.000 -0.094 0.000 1.085 134 F HN 0.497 nan 8.300 nan 0.000 0.584 135 I N -0.388 120.324 120.570 0.236 0.000 4.312 135 I HA 0.610 4.780 4.170 0.001 0.000 0.324 135 I C 0.778 176.960 176.117 0.108 0.000 1.298 135 I CA 0.168 61.553 61.300 0.141 0.000 1.231 135 I CB 0.277 38.340 38.000 0.105 0.000 1.152 135 I HN 0.515 nan 8.210 nan 0.000 0.421 136 G N 1.284 110.157 108.800 0.121 0.000 2.368 136 G HA2 0.378 4.339 3.960 0.001 0.000 0.293 136 G HA3 0.378 4.339 3.960 0.001 0.000 0.293 136 G C -3.289 171.662 174.900 0.085 0.000 1.467 136 G CA -0.904 44.240 45.100 0.073 0.000 0.804 136 G HN -0.223 nan 8.290 nan 0.000 0.535 137 P HA 0.040 nan 4.420 nan 0.000 0.260 137 P C 0.230 177.659 177.300 0.215 0.000 1.172 137 P CA 0.927 64.123 63.100 0.160 0.000 0.760 137 P CB -0.121 31.666 31.700 0.144 0.000 0.773 138 H N -0.953 118.093 119.070 -0.040 0.000 3.179 138 H HA -0.181 4.375 4.556 0.001 0.000 0.250 138 H C -0.130 175.369 175.328 0.285 0.000 1.142 138 H CA 1.060 57.169 56.048 0.101 0.000 1.165 138 H CB -1.190 28.543 29.762 -0.048 0.000 1.253 138 H HN 0.527 nan 8.280 nan 0.000 0.325 139 K N 0.742 121.318 120.400 0.294 0.000 2.463 139 K HA 0.610 4.930 4.320 0.001 0.000 0.255 139 K C -0.665 176.108 176.600 0.289 0.000 0.942 139 K CA -0.372 56.088 56.287 0.289 0.000 0.814 139 K CB 2.473 35.085 32.500 0.187 0.000 1.122 139 K HN 0.096 nan 8.250 nan 0.000 0.425 140 I N 3.083 123.846 120.570 0.322 0.000 2.569 140 I HA 0.403 4.574 4.170 0.001 0.000 0.296 140 I C -1.032 175.198 176.117 0.189 0.000 1.028 140 I CA -1.006 60.413 61.300 0.198 0.000 1.082 140 I CB 1.641 39.749 38.000 0.179 0.000 1.264 140 I HN 0.605 nan 8.210 nan 0.000 0.429 141 M N 6.787 126.458 119.600 0.119 0.000 2.180 141 M HA 0.517 4.997 4.480 0.001 0.000 0.350 141 M C -0.824 175.543 176.300 0.112 0.000 1.125 141 M CA -0.567 54.802 55.300 0.116 0.000 1.031 141 M CB 1.413 34.060 32.600 0.079 0.000 1.623 141 M HN 0.700 nan 8.290 nan 0.000 0.451 142 A N 4.055 126.973 122.820 0.163 0.000 2.540 142 A HA 0.424 4.745 4.320 0.001 0.000 0.340 142 A C -0.176 177.455 177.584 0.078 0.000 1.424 142 A CA -0.504 51.613 52.037 0.134 0.000 0.940 142 A CB -0.325 18.821 19.000 0.243 0.000 1.149 142 A HN 0.780 nan 8.150 nan 0.000 0.505 143 T N 3.680 118.248 114.554 0.024 0.000 2.840 143 T HA 0.110 4.460 4.350 0.001 0.000 0.276 143 T C 0.920 175.557 174.700 -0.105 0.000 0.912 143 T CA -0.230 61.842 62.100 -0.046 0.000 1.116 143 T CB -0.665 68.143 68.868 -0.099 0.000 0.895 143 T HN 0.871 nan 8.240 nan 0.000 0.570 144 N N 3.195 121.879 118.700 -0.027 0.000 2.263 144 N HA -0.023 4.718 4.740 0.001 0.000 0.239 144 N C 1.266 176.800 175.510 0.040 0.000 1.317 144 N CA -0.396 52.669 53.050 0.025 0.000 0.909 144 N CB 0.190 38.712 38.487 0.058 0.000 1.171 144 N HN 0.484 nan 8.380 nan 0.000 0.492 145 N N -0.120 118.720 118.700 0.233 0.000 2.149 145 N HA -0.195 4.546 4.740 0.001 0.000 0.188 145 N C 0.983 176.594 175.510 0.168 0.000 1.019 145 N CA 1.144 54.418 53.050 0.374 0.000 0.857 145 N CB 0.006 38.691 38.487 0.329 0.000 0.997 145 N HN 0.556 nan 8.380 nan 0.000 0.426 146 K N -0.983 119.472 120.400 0.092 0.000 2.262 146 K HA 0.043 4.364 4.320 0.001 0.000 0.200 146 K C 0.978 177.592 176.600 0.022 0.000 1.049 146 K CA 0.855 57.174 56.287 0.054 0.000 0.979 146 K CB 0.347 32.873 32.500 0.043 0.000 0.773 146 K HN 0.461 nan 8.250 nan 0.000 0.474 147 G N 0.820 109.622 108.800 0.004 0.000 2.813 147 G HA2 -0.139 3.822 3.960 0.001 0.000 0.194 147 G HA3 -0.139 3.822 3.960 0.001 0.000 0.194 147 G C -0.589 174.301 174.900 -0.018 0.000 1.010 147 G CA -0.653 44.435 45.100 -0.021 0.000 0.771 147 G HN -0.004 nan 8.290 nan 0.000 0.485 148 K N 1.789 122.188 120.400 -0.002 0.000 2.414 148 K HA 0.389 4.709 4.320 0.001 0.000 0.272 148 K C -0.062 176.539 176.600 0.002 0.000 0.993 148 K CA 0.407 56.695 56.287 0.001 0.000 0.964 148 K CB 0.913 33.418 32.500 0.008 0.000 0.925 148 K HN 0.636 nan 8.250 nan 0.000 0.487 149 E N 1.368 121.568 120.200 0.001 0.000 2.227 149 E HA 0.416 4.767 4.350 0.001 0.000 0.268 149 E C -0.788 175.813 176.600 0.001 0.000 0.907 149 E CA -0.943 55.464 56.400 0.011 0.000 0.786 149 E CB 2.503 32.206 29.700 0.005 0.000 1.191 149 E HN 0.362 nan 8.360 nan 0.000 0.411 150 K N 1.022 121.433 120.400 0.018 0.000 2.340 150 K HA 0.560 4.880 4.320 0.001 0.000 0.244 150 K C -1.566 174.970 176.600 -0.106 0.000 0.973 150 K CA -0.790 55.439 56.287 -0.097 0.000 0.828 150 K CB 1.909 34.308 32.500 -0.169 0.000 1.226 150 K HN 0.293 nan 8.250 nan 0.000 0.437 151 V N 3.841 123.614 119.914 -0.236 0.000 2.409 151 V HA 0.416 4.537 4.120 0.001 0.000 0.291 151 V C -1.323 174.639 176.094 -0.220 0.000 1.020 151 V CA -0.612 61.626 62.300 -0.103 0.000 0.848 151 V CB 0.857 32.665 31.823 -0.025 0.000 0.990 151 V HN 0.641 nan 8.190 nan 0.000 0.430 152 Y N 2.046 122.392 120.300 0.076 0.000 2.549 152 Y HA 0.719 5.270 4.550 0.001 0.000 0.339 152 Y C 0.595 176.591 175.900 0.160 0.000 1.053 152 Y CA -0.705 57.447 58.100 0.087 0.000 1.105 152 Y CB 2.236 40.729 38.460 0.054 0.000 1.258 152 Y HN 0.641 nan 8.280 nan 0.000 0.478 153 S N 0.747 116.636 115.700 0.316 0.000 2.568 153 S HA 0.984 5.455 4.470 0.001 0.000 0.293 153 S C -1.070 173.676 174.600 0.244 0.000 1.089 153 S CA -0.589 57.802 58.200 0.319 0.000 0.945 153 S CB 2.038 65.374 63.200 0.227 0.000 1.077 153 S HN 1.109 nan 8.310 nan 0.000 0.485 154 A N 0.797 123.798 122.820 0.301 0.000 2.566 154 A HA 0.623 4.943 4.320 0.001 0.000 0.297 154 A C 0.389 178.134 177.584 0.270 0.000 1.059 154 A CA -0.492 51.610 52.037 0.108 0.000 0.691 154 A CB 1.185 19.980 19.000 -0.341 0.000 1.282 154 A HN 0.969 nan 8.150 nan 0.000 0.401 155 E N 0.520 120.852 120.200 0.221 0.000 2.077 155 E HA -0.107 4.243 4.350 0.001 0.000 0.193 155 E C 0.459 177.216 176.600 0.261 0.000 0.989 155 E CA 1.081 57.651 56.400 0.284 0.000 0.800 155 E CB 0.121 29.953 29.700 0.221 0.000 0.746 155 E HN 0.585 nan 8.360 nan 0.000 0.452 156 R N -1.136 119.525 120.500 0.267 0.000 2.854 156 R HA 0.449 4.790 4.340 0.001 0.000 0.271 156 R C -1.368 175.110 176.300 0.297 0.000 0.994 156 R CA -0.717 55.625 56.100 0.402 0.000 0.945 156 R CB 1.387 31.921 30.300 0.390 0.000 1.194 156 R HN -0.101 nan 8.270 nan 0.000 0.476 157 F N 1.097 121.240 119.950 0.323 0.000 2.556 157 F HA 0.412 4.939 4.527 0.000 0.000 0.314 157 F C -0.780 175.184 175.800 0.273 0.000 1.106 157 F CA -0.899 57.270 58.000 0.282 0.000 0.911 157 F CB 1.777 41.014 39.000 0.396 0.000 1.190 157 F HN 0.135 nan 8.300 nan 0.000 0.448 158 L N 5.133 126.548 121.223 0.319 0.000 2.319 158 L HA 0.594 4.934 4.340 0.001 0.000 0.281 158 L C -0.797 176.205 176.870 0.221 0.000 1.005 158 L CA -0.514 54.483 54.840 0.262 0.000 0.828 158 L CB 0.748 42.900 42.059 0.156 0.000 1.227 158 L HN 0.421 nan 8.230 nan 0.000 0.415 159 I N 5.385 126.091 120.570 0.226 0.000 2.396 159 I HA 0.487 4.657 4.170 0.001 0.000 0.289 159 I C 0.494 176.680 176.117 0.114 0.000 1.056 159 I CA -0.065 61.333 61.300 0.164 0.000 1.365 159 I CB 1.161 39.265 38.000 0.172 0.000 1.407 159 I HN 0.811 nan 8.210 nan 0.000 0.509 160 A N 3.691 126.556 122.820 0.075 0.000 3.415 160 A HA 0.300 4.621 4.320 0.001 0.000 0.244 160 A C 0.632 178.243 177.584 0.045 0.000 0.988 160 A CA -0.377 51.697 52.037 0.061 0.000 0.991 160 A CB -0.238 18.791 19.000 0.049 0.000 1.240 160 A HN 0.754 nan 8.150 nan 0.000 0.541 161 T N -3.030 111.554 114.554 0.051 0.000 3.060 161 T HA 0.462 4.813 4.350 0.001 0.000 0.249 161 T C 1.365 176.111 174.700 0.077 0.000 1.079 161 T CA 1.017 63.144 62.100 0.044 0.000 1.013 161 T CB -0.065 68.817 68.868 0.023 0.000 0.975 161 T HN 2.060 nan 8.240 nan 0.000 0.518 162 G N 1.697 110.547 108.800 0.084 0.000 2.578 162 G HA2 -0.179 3.782 3.960 0.001 0.000 0.275 162 G HA3 -0.179 3.782 3.960 0.001 0.000 0.275 162 G C -0.610 174.357 174.900 0.112 0.000 1.271 162 G CA 0.210 45.370 45.100 0.100 0.000 0.941 162 G HN 0.709 nan 8.290 nan 0.000 0.564 163 E N -0.617 119.660 120.200 0.128 0.000 2.450 163 E HA 0.802 5.153 4.350 0.001 0.000 0.272 163 E C -0.337 176.355 176.600 0.154 0.000 0.967 163 E CA -1.180 55.297 56.400 0.129 0.000 0.818 163 E CB 1.660 31.428 29.700 0.114 0.000 1.401 163 E HN 0.513 nan 8.360 nan 0.000 0.450 164 R N 0.161 120.750 120.500 0.148 0.000 2.739 164 R HA 0.429 4.769 4.340 0.001 0.000 0.271 164 R C -2.848 173.530 176.300 0.130 0.000 1.010 164 R CA -2.415 53.787 56.100 0.170 0.000 0.897 164 R CB 0.893 31.312 30.300 0.198 0.000 1.236 164 R HN 0.319 nan 8.270 nan 0.000 0.466 165 P HA 0.077 nan 4.420 nan 0.000 0.265 165 P C -0.327 176.991 177.300 0.030 0.000 1.193 165 P CA 0.072 63.185 63.100 0.022 0.000 0.765 165 P CB 0.564 32.236 31.700 -0.046 0.000 0.823 166 R N 3.202 123.701 120.500 -0.001 0.000 2.404 166 R HA 0.319 4.660 4.340 0.001 0.000 0.291 166 R C -0.432 175.849 176.300 -0.032 0.000 1.025 166 R CA -0.399 55.736 56.100 0.057 0.000 0.991 166 R CB 0.306 30.639 30.300 0.054 0.000 1.053 166 R HN 0.368 nan 8.270 nan 0.000 0.479 167 Y N 2.082 122.398 120.300 0.027 0.000 2.408 167 Y HA 0.268 4.819 4.550 0.001 0.000 0.324 167 Y C 0.488 176.399 175.900 0.019 0.000 1.302 167 Y CA -0.499 57.613 58.100 0.020 0.000 1.384 167 Y CB 0.810 39.281 38.460 0.019 0.000 1.367 167 Y HN 0.345 nan 8.280 nan 0.000 0.525 168 L N 0.642 121.976 121.223 0.185 0.000 2.417 168 L HA 0.265 4.606 4.340 0.001 0.000 0.268 168 L C 1.340 178.281 176.870 0.118 0.000 1.158 168 L CA -0.221 54.690 54.840 0.119 0.000 0.819 168 L CB 0.411 42.525 42.059 0.092 0.000 1.112 168 L HN 0.918 nan 8.230 nan 0.000 0.458 169 G N 3.103 111.951 108.800 0.079 0.000 3.229 169 G HA2 0.123 4.084 3.960 0.001 0.000 0.214 169 G HA3 0.123 4.084 3.960 0.001 0.000 0.214 169 G C 0.301 175.231 174.900 0.050 0.000 1.256 169 G CA -0.062 45.073 45.100 0.058 0.000 1.042 169 G HN 0.574 nan 8.290 nan 0.000 0.497 170 I N -3.011 117.597 120.570 0.064 0.000 2.982 170 I HA 0.769 4.940 4.170 0.001 0.000 0.312 170 I C -2.583 173.565 176.117 0.052 0.000 1.041 170 I CA -3.206 58.129 61.300 0.058 0.000 1.053 170 I CB 2.613 40.654 38.000 0.069 0.000 1.248 170 I HN -0.226 nan 8.210 nan 0.000 0.471 171 P HA 0.373 nan 4.420 nan 0.000 0.290 171 P C 0.311 177.652 177.300 0.069 0.000 1.275 171 P CA 0.234 63.356 63.100 0.037 0.000 0.841 171 P CB 1.778 33.500 31.700 0.037 0.000 1.042 172 G N 3.196 112.013 108.800 0.029 0.000 2.284 172 G HA2 -0.282 3.678 3.960 0.001 0.000 0.230 172 G HA3 -0.282 3.678 3.960 0.001 0.000 0.230 172 G C 0.876 175.805 174.900 0.048 0.000 1.021 172 G CA 0.648 45.798 45.100 0.083 0.000 0.619 172 G HN 0.608 nan 8.290 nan 0.000 0.510 173 D N 1.199 121.650 120.400 0.084 0.000 2.123 173 D HA -0.087 4.553 4.640 0.001 0.000 0.196 173 D C 1.956 178.363 176.300 0.179 0.000 0.992 173 D CA 1.831 55.932 54.000 0.169 0.000 0.833 173 D CB -0.479 40.450 40.800 0.215 0.000 0.954 173 D HN 0.523 nan 8.370 nan 0.000 0.455 174 K N 0.017 120.367 120.400 -0.085 0.000 2.116 174 K HA -0.052 4.269 4.320 0.001 0.000 0.203 174 K C 2.118 178.620 176.600 -0.162 0.000 1.052 174 K CA 1.212 57.307 56.287 -0.319 0.000 0.952 174 K CB 0.058 32.242 32.500 -0.527 0.000 0.729 174 K HN 0.420 nan 8.250 nan 0.000 0.446 175 E N -0.351 119.693 120.200 -0.260 0.000 2.318 175 E HA -0.104 4.246 4.350 0.001 0.000 0.193 175 E C 0.857 177.302 176.600 -0.259 0.000 0.998 175 E CA 0.957 57.138 56.400 -0.364 0.000 0.859 175 E CB 0.043 29.361 29.700 -0.638 0.000 0.812 175 E HN 0.350 nan 8.360 nan 0.000 0.492 176 Y N 0.299 120.643 120.300 0.072 0.000 2.430 176 Y HA 0.297 4.848 4.550 0.001 0.000 0.254 176 Y C 1.035 176.992 175.900 0.094 0.000 1.088 176 Y CA -1.331 56.815 58.100 0.076 0.000 1.267 176 Y CB 0.260 38.756 38.460 0.060 0.000 1.204 176 Y HN -0.005 nan 8.280 nan 0.000 0.515 177 C N 1.485 120.932 119.300 0.246 0.000 2.401 177 C HA 0.744 5.204 4.460 0.001 0.000 0.356 177 C C 0.374 175.462 174.990 0.164 0.000 1.192 177 C CA -1.206 57.919 59.018 0.180 0.000 2.028 177 C CB 0.915 28.747 27.740 0.154 0.000 2.344 177 C HN 0.292 nan 8.230 nan 0.000 0.525 178 I N 0.479 121.089 120.570 0.066 0.000 2.648 178 I HA 0.789 4.959 4.170 0.001 0.000 0.304 178 I C 0.149 176.218 176.117 -0.079 0.000 1.009 178 I CA -0.061 61.255 61.300 0.026 0.000 1.114 178 I CB 1.738 39.734 38.000 -0.007 0.000 1.293 178 I HN 0.696 nan 8.210 nan 0.000 0.449 179 S N 1.789 117.437 115.700 -0.088 0.000 2.748 179 S HA 0.316 4.786 4.470 0.001 0.000 0.299 179 S C 1.236 175.743 174.600 -0.154 0.000 1.119 179 S CA -0.002 58.101 58.200 -0.161 0.000 0.997 179 S CB 1.149 64.254 63.200 -0.157 0.000 1.223 179 S HN 0.920 nan 8.310 nan 0.000 0.541 180 S N 0.583 116.190 115.700 -0.155 0.000 2.374 180 S HA -0.233 4.237 4.470 0.001 0.000 0.227 180 S C 1.177 175.670 174.600 -0.179 0.000 1.037 180 S CA 1.908 59.982 58.200 -0.210 0.000 1.024 180 S CB -1.293 61.883 63.200 -0.039 0.000 0.861 180 S HN 0.687 nan 8.310 nan 0.000 0.456 181 D N 1.691 122.084 120.400 -0.012 0.000 2.228 181 D HA -0.066 4.575 4.640 0.001 0.000 0.203 181 D C 1.548 177.915 176.300 0.111 0.000 0.988 181 D CA 1.353 55.404 54.000 0.085 0.000 0.864 181 D CB -0.301 40.695 40.800 0.326 0.000 0.928 181 D HN 0.609 nan 8.370 nan 0.000 0.469 182 D N -0.649 119.781 120.400 0.049 0.000 2.490 182 D HA -0.032 4.608 4.640 0.001 0.000 0.244 182 D C 2.183 178.492 176.300 0.015 0.000 0.979 182 D CA -0.153 53.896 54.000 0.082 0.000 0.924 182 D CB -0.189 40.658 40.800 0.078 0.000 1.075 182 D HN 0.063 nan 8.370 nan 0.000 0.488 183 L N 1.121 122.271 121.223 -0.122 0.000 2.064 183 L HA -0.232 4.109 4.340 0.001 0.000 0.216 183 L C 1.728 178.659 176.870 0.102 0.000 1.077 183 L CA 1.723 56.492 54.840 -0.119 0.000 0.766 183 L CB -0.800 41.049 42.059 -0.350 0.000 0.890 183 L HN -0.099 nan 8.230 nan 0.000 0.435 184 F N -0.703 119.351 119.950 0.173 0.000 2.771 184 F HA 0.054 4.581 4.527 0.001 0.000 0.299 184 F C 2.094 177.936 175.800 0.069 0.000 1.177 184 F CA 0.671 58.730 58.000 0.099 0.000 1.450 184 F CB -0.920 38.069 39.000 -0.017 0.000 1.114 184 F HN 0.398 nan 8.300 nan 0.000 0.587 185 S N -1.658 114.198 115.700 0.261 0.000 2.900 185 S HA 0.232 4.702 4.470 0.001 0.000 0.253 185 S C 0.076 174.797 174.600 0.201 0.000 1.029 185 S CA -0.446 57.876 58.200 0.204 0.000 1.096 185 S CB -0.549 62.763 63.200 0.187 0.000 1.067 185 S HN -0.001 nan 8.310 nan 0.000 0.610 186 L N 3.671 125.032 121.223 0.229 0.000 2.700 186 L HA 0.210 4.550 4.340 0.001 0.000 0.276 186 L C -1.937 174.991 176.870 0.096 0.000 1.200 186 L CA -0.870 53.979 54.840 0.015 0.000 0.951 186 L CB 0.346 42.302 42.059 -0.170 0.000 1.226 186 L HN 0.069 nan 8.230 nan 0.000 0.489 187 P HA 0.011 nan 4.420 nan 0.000 0.242 187 P C -1.535 175.904 177.300 0.232 0.000 1.197 187 P CA 0.637 63.834 63.100 0.161 0.000 0.765 187 P CB -0.120 31.712 31.700 0.220 0.000 0.936 188 Y N -4.444 115.943 120.300 0.144 0.000 2.588 188 Y HA 0.495 5.045 4.550 0.001 0.000 0.343 188 Y C -0.216 175.507 175.900 -0.295 0.000 1.065 188 Y CA -2.354 55.767 58.100 0.034 0.000 1.038 188 Y CB 0.057 38.514 38.460 -0.005 0.000 1.297 188 Y HN -0.308 nan 8.280 nan 0.000 0.467 189 C N 4.197 123.429 119.300 -0.114 0.000 2.590 189 C HA 0.155 4.615 4.460 0.001 0.000 0.411 189 C C -1.105 173.671 174.990 -0.357 0.000 1.420 189 C CA -0.869 57.911 59.018 -0.398 0.000 1.643 189 C CB -0.094 27.658 27.740 0.020 0.000 2.528 189 C HN 0.800 nan 8.230 nan 0.000 0.606 190 P HA 0.141 nan 4.420 nan 0.000 0.225 190 P C 1.072 178.296 177.300 -0.126 0.000 1.148 190 P CA 1.922 64.796 63.100 -0.378 0.000 0.779 190 P CB -0.271 31.111 31.700 -0.531 0.000 0.780 191 G N 0.081 108.825 108.800 -0.093 0.000 2.668 191 G HA2 -0.332 3.629 3.960 0.001 0.000 0.266 191 G HA3 -0.332 3.629 3.960 0.001 0.000 0.266 191 G C -0.270 174.627 174.900 -0.006 0.000 1.328 191 G CA -0.378 44.711 45.100 -0.018 0.000 0.911 191 G HN 0.436 nan 8.290 nan 0.000 0.567 192 K N 0.290 120.710 120.400 0.032 0.000 2.511 192 K HA 0.234 4.554 4.320 0.001 0.000 0.277 192 K C -0.072 176.599 176.600 0.119 0.000 1.025 192 K CA 1.405 57.742 56.287 0.084 0.000 1.112 192 K CB -0.324 32.240 32.500 0.107 0.000 0.859 192 K HN 0.583 nan 8.250 nan 0.000 0.485 193 T N 4.430 119.015 114.554 0.052 0.000 2.900 193 T HA 0.391 4.742 4.350 0.001 0.000 0.295 193 T C -1.196 173.267 174.700 -0.396 0.000 1.044 193 T CA -0.772 61.255 62.100 -0.122 0.000 0.995 193 T CB 1.288 70.055 68.868 -0.168 0.000 1.072 193 T HN 0.521 nan 8.240 nan 0.000 0.473 194 L N 3.220 123.991 121.223 -0.753 0.000 2.325 194 L HA 0.738 5.079 4.340 0.001 0.000 0.281 194 L C -1.155 175.416 176.870 -0.498 0.000 1.004 194 L CA -0.513 53.761 54.840 -0.943 0.000 0.823 194 L CB 1.133 42.236 42.059 -1.593 0.000 1.236 194 L HN 0.443 nan 8.230 nan 0.000 0.415 195 V N 5.848 125.529 119.914 -0.389 0.000 2.394 195 V HA 0.448 4.569 4.120 0.001 0.000 0.282 195 V C -0.224 175.731 176.094 -0.232 0.000 1.031 195 V CA -0.625 61.508 62.300 -0.279 0.000 0.881 195 V CB 1.617 33.287 31.823 -0.255 0.000 0.982 195 V HN 0.524 nan 8.190 nan 0.000 0.451 196 V N 4.502 124.311 119.914 -0.176 0.000 2.370 196 V HA 0.944 5.064 4.120 0.001 0.000 0.283 196 V C 0.536 176.579 176.094 -0.084 0.000 1.023 196 V CA 0.494 62.725 62.300 -0.115 0.000 0.857 196 V CB 0.740 32.510 31.823 -0.088 0.000 0.985 196 V HN 1.308 nan 8.190 nan 0.000 0.443 197 G N 4.009 112.781 108.800 -0.047 0.000 2.459 197 G HA2 0.461 4.422 3.960 0.001 0.000 0.685 197 G HA3 0.461 4.422 3.960 0.001 0.000 0.685 197 G C -0.390 174.513 174.900 0.005 0.000 1.303 197 G CA -0.066 45.022 45.100 -0.020 0.000 0.907 197 G HN 1.592 nan 8.290 nan 0.000 0.632 198 A N 0.040 122.885 122.820 0.042 0.000 2.676 198 A HA 0.832 5.152 4.320 0.001 0.000 0.258 198 A C 0.498 178.149 177.584 0.112 0.000 0.898 198 A CA 1.296 53.388 52.037 0.093 0.000 1.087 198 A CB 0.318 19.401 19.000 0.139 0.000 1.214 198 A HN 1.718 nan 8.150 nan 0.000 0.474 199 S N -1.496 114.251 115.700 0.077 0.000 2.721 199 S HA 0.528 4.999 4.470 0.001 0.000 0.296 199 S C 1.439 176.109 174.600 0.116 0.000 1.093 199 S CA 0.132 58.412 58.200 0.132 0.000 0.959 199 S CB 0.201 63.461 63.200 0.099 0.000 1.301 199 S HN 0.757 nan 8.310 nan 0.000 0.550 200 Y N 0.517 120.917 120.300 0.166 0.000 2.053 200 Y HA -0.132 4.418 4.550 0.001 0.000 0.277 200 Y C 1.968 177.935 175.900 0.110 0.000 1.159 200 Y CA 1.994 60.155 58.100 0.102 0.000 1.125 200 Y CB -1.645 36.877 38.460 0.103 0.000 0.969 200 Y HN 0.188 nan 8.280 nan 0.000 0.492 201 V N 1.378 121.207 119.914 -0.141 0.000 2.332 201 V HA -0.347 3.773 4.120 0.001 0.000 0.248 201 V C 2.910 179.001 176.094 -0.005 0.000 1.055 201 V CA 2.047 64.336 62.300 -0.019 0.000 1.038 201 V CB -1.681 30.066 31.823 -0.126 0.000 0.651 201 V HN 0.697 nan 8.190 nan 0.000 0.450 202 A N -0.153 122.641 122.820 -0.044 0.000 1.877 202 A HA -0.131 4.189 4.320 0.001 0.000 0.216 202 A C 2.222 179.785 177.584 -0.036 0.000 1.186 202 A CA 1.940 53.945 52.037 -0.053 0.000 0.620 202 A CB -0.503 18.472 19.000 -0.041 0.000 0.822 202 A HN 0.504 nan 8.150 nan 0.000 0.443 203 L N -1.111 120.133 121.223 0.035 0.000 2.095 203 L HA -0.117 4.224 4.340 0.001 0.000 0.204 203 L C 2.562 179.467 176.870 0.059 0.000 1.080 203 L CA 1.238 56.117 54.840 0.064 0.000 0.759 203 L CB -0.670 41.468 42.059 0.131 0.000 0.914 203 L HN 0.431 nan 8.230 nan 0.000 0.439 204 E N -0.242 120.023 120.200 0.108 0.000 2.065 204 E HA -0.298 4.052 4.350 0.001 0.000 0.201 204 E C 2.320 178.963 176.600 0.071 0.000 1.016 204 E CA 2.028 58.527 56.400 0.165 0.000 0.818 204 E CB -0.269 29.598 29.700 0.279 0.000 0.749 204 E HN 0.533 nan 8.360 nan 0.000 0.453 205 C N 0.356 119.608 119.300 -0.080 0.000 2.432 205 C HA -0.117 4.344 4.460 0.001 0.000 0.277 205 C C 2.914 177.518 174.990 -0.644 0.000 1.249 205 C CA 0.789 59.465 59.018 -0.570 0.000 1.725 205 C CB -1.053 26.484 27.740 -0.338 0.000 2.028 205 C HN 0.551 nan 8.230 nan 0.000 0.477 206 A N 0.780 123.411 122.820 -0.316 0.000 1.940 206 A HA -0.002 4.318 4.320 0.001 0.000 0.219 206 A C 2.352 179.826 177.584 -0.182 0.000 1.176 206 A CA 2.236 54.121 52.037 -0.254 0.000 0.631 206 A CB -1.256 17.622 19.000 -0.203 0.000 0.814 206 A HN 0.575 nan 8.150 nan 0.000 0.446 207 G N 0.027 108.772 108.800 -0.091 0.000 2.480 207 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 207 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 207 G C 1.405 176.374 174.900 0.115 0.000 1.200 207 G CA 1.400 46.533 45.100 0.055 0.000 0.782 207 G HN 0.830 nan 8.290 nan 0.000 0.554 208 F N 0.786 120.826 119.950 0.150 0.000 2.259 208 F HA 0.253 4.780 4.527 0.001 0.000 0.298 208 F C 2.214 178.085 175.800 0.119 0.000 1.088 208 F CA 0.446 58.541 58.000 0.157 0.000 1.358 208 F CB -0.707 38.412 39.000 0.197 0.000 1.040 208 F HN 0.060 nan 8.300 nan 0.000 0.505 209 L N 0.943 122.073 121.223 -0.157 0.000 2.046 209 L HA -0.149 4.192 4.340 0.001 0.000 0.208 209 L C 2.978 179.873 176.870 0.042 0.000 1.077 209 L CA 1.348 56.191 54.840 0.006 0.000 0.747 209 L CB -1.159 40.795 42.059 -0.176 0.000 0.896 209 L HN 0.358 nan 8.230 nan 0.000 0.432 210 A N 0.157 122.975 122.820 -0.003 0.000 1.898 210 A HA -0.103 4.218 4.320 0.001 0.000 0.216 210 A C 2.412 180.029 177.584 0.055 0.000 1.181 210 A CA 1.587 53.636 52.037 0.020 0.000 0.620 210 A CB -1.257 17.747 19.000 0.006 0.000 0.819 210 A HN 0.440 nan 8.150 nan 0.000 0.442 211 G N 0.844 109.697 108.800 0.088 0.000 2.442 211 G HA2 -0.174 3.787 3.960 0.001 0.000 0.219 211 G HA3 -0.174 3.787 3.960 0.001 0.000 0.219 211 G C 1.354 176.274 174.900 0.032 0.000 1.141 211 G CA 1.185 46.336 45.100 0.084 0.000 0.763 211 G HN 0.914 nan 8.290 nan 0.000 0.554 212 I N -2.832 117.746 120.570 0.014 0.000 3.735 212 I HA 0.514 4.685 4.170 0.001 0.000 0.310 212 I C 1.427 177.541 176.117 -0.005 0.000 1.270 212 I CA 0.539 61.755 61.300 -0.141 0.000 1.207 212 I CB 0.145 37.879 38.000 -0.444 0.000 1.013 212 I HN 0.193 nan 8.210 nan 0.000 0.452 213 G N 1.174 110.002 108.800 0.048 0.000 2.192 213 G HA2 -0.143 3.818 3.960 0.001 0.000 0.193 213 G HA3 -0.143 3.818 3.960 0.001 0.000 0.193 213 G C 0.025 174.966 174.900 0.067 0.000 0.999 213 G CA -0.205 44.936 45.100 0.069 0.000 0.659 213 G HN 0.315 nan 8.290 nan 0.000 0.503 214 L N 1.069 122.331 121.223 0.065 0.000 2.421 214 L HA 0.482 4.822 4.340 0.001 0.000 0.263 214 L C 0.299 177.181 176.870 0.021 0.000 1.122 214 L CA -0.836 54.031 54.840 0.044 0.000 0.804 214 L CB 0.698 42.776 42.059 0.032 0.000 1.150 214 L HN 0.073 nan 8.230 nan 0.000 0.457 215 D N 1.841 122.252 120.400 0.019 0.000 2.402 215 D HA 0.206 4.847 4.640 0.001 0.000 0.235 215 D C -1.039 175.267 176.300 0.011 0.000 1.226 215 D CA -0.059 53.953 54.000 0.019 0.000 0.918 215 D CB 0.789 41.608 40.800 0.032 0.000 1.043 215 D HN 0.085 nan 8.370 nan 0.000 0.506 216 V N 3.469 123.365 119.914 -0.030 0.000 2.459 216 V HA 0.413 4.533 4.120 0.001 0.000 0.295 216 V C 0.402 176.412 176.094 -0.141 0.000 1.029 216 V CA -0.594 61.647 62.300 -0.098 0.000 0.874 216 V CB 2.089 33.834 31.823 -0.130 0.000 0.985 216 V HN 0.452 nan 8.190 nan 0.000 0.438 217 T N 3.657 118.087 114.554 -0.207 0.000 2.861 217 T HA 0.601 4.952 4.350 0.001 0.000 0.287 217 T C -0.618 173.851 174.700 -0.385 0.000 1.003 217 T CA -0.456 61.488 62.100 -0.260 0.000 0.977 217 T CB 1.879 70.681 68.868 -0.111 0.000 0.996 217 T HN 0.330 nan 8.240 nan 0.000 0.448 218 V N 3.895 123.503 119.914 -0.511 0.000 2.417 218 V HA 0.465 4.585 4.120 0.001 0.000 0.291 218 V C -0.114 175.824 176.094 -0.260 0.000 1.024 218 V CA -0.794 61.229 62.300 -0.462 0.000 0.861 218 V CB 1.588 33.004 31.823 -0.678 0.000 0.985 218 V HN 0.896 nan 8.190 nan 0.000 0.436 219 M N 6.128 125.640 119.600 -0.147 0.000 2.069 219 M HA 0.474 4.954 4.480 0.001 0.000 0.349 219 M C -1.189 175.140 176.300 0.048 0.000 1.194 219 M CA -0.351 54.934 55.300 -0.026 0.000 1.081 219 M CB 0.911 33.489 32.600 -0.036 0.000 1.500 219 M HN 0.461 nan 8.290 nan 0.000 0.438 220 V N 6.428 126.418 119.914 0.128 0.000 2.364 220 V HA 0.259 4.379 4.120 0.001 0.000 0.272 220 V C 0.977 177.150 176.094 0.132 0.000 1.036 220 V CA -0.364 62.022 62.300 0.145 0.000 0.880 220 V CB 1.053 32.997 31.823 0.201 0.000 0.991 220 V HN 0.963 nan 8.190 nan 0.000 0.460 221 R N 3.953 124.510 120.500 0.096 0.000 2.070 221 R HA -0.098 4.242 4.340 0.001 0.000 0.227 221 R C 1.815 178.153 176.300 0.064 0.000 1.147 221 R CA 2.191 58.337 56.100 0.076 0.000 0.924 221 R CB 0.020 30.353 30.300 0.055 0.000 0.827 221 R HN 0.836 nan 8.270 nan 0.000 0.431 222 S N 0.141 115.877 115.700 0.061 0.000 3.200 222 S HA 0.255 4.725 4.470 0.001 0.000 0.173 222 S C 0.912 175.548 174.600 0.059 0.000 0.768 222 S CA -0.284 57.946 58.200 0.051 0.000 1.018 222 S CB -0.498 62.726 63.200 0.040 0.000 0.769 222 S HN 0.368 nan 8.310 nan 0.000 0.736 223 I N 0.497 121.103 120.570 0.059 0.000 2.783 223 I HA 0.569 4.739 4.170 0.001 0.000 0.312 223 I C -0.794 175.374 176.117 0.085 0.000 0.988 223 I CA -1.278 60.059 61.300 0.061 0.000 1.182 223 I CB 0.501 38.534 38.000 0.056 0.000 1.368 223 I HN 0.360 nan 8.210 nan 0.000 0.511 224 L N 4.318 125.591 121.223 0.083 0.000 2.349 224 L HA 0.315 4.655 4.340 0.001 0.000 0.275 224 L C 0.140 177.105 176.870 0.157 0.000 1.115 224 L CA -0.700 54.209 54.840 0.114 0.000 0.820 224 L CB 0.572 42.679 42.059 0.079 0.000 1.135 224 L HN 0.620 nan 8.230 nan 0.000 0.445 225 L N 2.138 123.487 121.223 0.209 0.000 3.795 225 L HA -0.228 4.112 4.340 0.001 0.000 0.489 225 L C 0.786 177.877 176.870 0.369 0.000 1.259 225 L CA 0.197 55.253 54.840 0.360 0.000 0.765 225 L CB -1.244 41.039 42.059 0.373 0.000 1.519 225 L HN 0.692 nan 8.230 nan 0.000 0.842 226 R N 1.059 121.695 120.500 0.226 0.000 2.494 226 R HA 0.218 4.559 4.340 0.001 0.000 0.291 226 R C 1.442 177.800 176.300 0.097 0.000 0.953 226 R CA 1.405 57.591 56.100 0.143 0.000 1.098 226 R CB 0.163 30.518 30.300 0.092 0.000 0.911 226 R HN 0.574 nan 8.270 nan 0.000 0.407 227 G N 3.534 112.360 108.800 0.042 0.000 2.284 227 G HA2 -0.261 3.699 3.960 0.001 0.000 0.216 227 G HA3 -0.261 3.699 3.960 0.001 0.000 0.216 227 G C -0.104 174.703 174.900 -0.155 0.000 1.009 227 G CA -0.192 44.843 45.100 -0.109 0.000 0.625 227 G HN 0.515 nan 8.290 nan 0.000 0.501 228 F N 2.184 122.232 119.950 0.163 0.000 2.377 228 F HA 0.491 5.019 4.527 0.001 0.000 0.328 228 F C 0.858 176.777 175.800 0.198 0.000 1.094 228 F CA -0.438 57.697 58.000 0.226 0.000 1.093 228 F CB 0.725 39.910 39.000 0.310 0.000 1.214 228 F HN 0.012 nan 8.300 nan 0.000 0.518 229 D N 2.473 123.137 120.400 0.439 0.000 2.793 229 D HA -0.135 4.505 4.640 0.001 0.000 0.230 229 D C 0.906 177.283 176.300 0.128 0.000 1.139 229 D CA 0.319 54.446 54.000 0.211 0.000 0.838 229 D CB 0.821 41.671 40.800 0.082 0.000 1.149 229 D HN 0.494 nan 8.370 nan 0.000 0.526 230 Q N 3.064 122.908 119.800 0.074 0.000 2.224 230 Q HA -0.154 4.187 4.340 0.001 0.000 0.203 230 Q C 1.267 177.249 176.000 -0.030 0.000 0.970 230 Q CA 1.052 56.879 55.803 0.040 0.000 0.865 230 Q CB -0.061 28.697 28.738 0.033 0.000 0.922 230 Q HN 0.647 nan 8.270 nan 0.000 0.445 231 D N -0.118 120.237 120.400 -0.075 0.000 2.084 231 D HA -0.125 4.516 4.640 0.001 0.000 0.196 231 D C 1.803 177.973 176.300 -0.217 0.000 0.985 231 D CA 0.997 54.912 54.000 -0.142 0.000 0.826 231 D CB 0.150 40.854 40.800 -0.160 0.000 0.978 231 D HN -0.004 nan 8.370 nan 0.000 0.456 232 M N 0.841 120.283 119.600 -0.264 0.000 2.073 232 M HA -0.153 4.327 4.480 0.001 0.000 0.258 232 M C 2.477 178.577 176.300 -0.332 0.000 1.070 232 M CA 1.641 56.688 55.300 -0.420 0.000 1.103 232 M CB -1.678 30.488 32.600 -0.723 0.000 1.321 232 M HN 0.140 nan 8.290 nan 0.000 0.405 233 A N 1.075 123.792 122.820 -0.172 0.000 1.903 233 A HA -0.242 4.078 4.320 0.001 0.000 0.219 233 A C 2.071 179.607 177.584 -0.080 0.000 1.191 233 A CA 2.275 54.278 52.037 -0.057 0.000 0.638 233 A CB -0.977 18.060 19.000 0.061 0.000 0.823 233 A HN 0.576 nan 8.150 nan 0.000 0.451 234 N N -0.222 118.420 118.700 -0.097 0.000 2.188 234 N HA -0.116 4.625 4.740 0.001 0.000 0.184 234 N C 1.661 177.100 175.510 -0.118 0.000 1.018 234 N CA 1.459 54.445 53.050 -0.108 0.000 0.858 234 N CB -0.339 38.088 38.487 -0.099 0.000 0.989 234 N HN 0.583 nan 8.380 nan 0.000 0.426 235 K N 0.875 121.192 120.400 -0.138 0.000 2.026 235 K HA -0.038 4.282 4.320 0.001 0.000 0.208 235 K C 2.164 178.739 176.600 -0.043 0.000 1.048 235 K CA 0.796 57.018 56.287 -0.108 0.000 0.929 235 K CB -0.228 32.166 32.500 -0.177 0.000 0.713 235 K HN 0.150 nan 8.250 nan 0.000 0.439 236 I N 0.927 121.456 120.570 -0.068 0.000 2.151 236 I HA -0.280 3.890 4.170 0.001 0.000 0.243 236 I C 2.555 178.704 176.117 0.052 0.000 1.080 236 I CA 1.620 62.929 61.300 0.015 0.000 1.339 236 I CB -0.828 37.174 38.000 0.003 0.000 1.039 236 I HN 0.325 nan 8.210 nan 0.000 0.409 237 G N -0.005 108.763 108.800 -0.053 0.000 2.459 237 G HA2 -0.277 3.683 3.960 0.001 0.000 0.217 237 G HA3 -0.277 3.683 3.960 0.001 0.000 0.217 237 G C 1.534 176.300 174.900 -0.224 0.000 1.183 237 G CA 0.862 45.829 45.100 -0.222 0.000 0.776 237 G HN 0.403 nan 8.290 nan 0.000 0.552 238 E N -0.767 119.354 120.200 -0.131 0.000 2.085 238 E HA -0.196 4.154 4.350 0.001 0.000 0.194 238 E C 2.178 178.798 176.600 0.034 0.000 0.994 238 E CA 0.910 57.267 56.400 -0.072 0.000 0.801 238 E CB -0.236 29.437 29.700 -0.045 0.000 0.743 238 E HN 0.615 nan 8.360 nan 0.000 0.453 239 H N 0.273 119.361 119.070 0.030 0.000 2.326 239 H HA -0.097 4.460 4.556 0.001 0.000 0.301 239 H C 2.111 177.569 175.328 0.217 0.000 1.081 239 H CA 1.552 57.682 56.048 0.137 0.000 1.334 239 H CB -0.004 29.808 29.762 0.082 0.000 1.385 239 H HN 0.164 nan 8.280 nan 0.000 0.504 240 M N 0.397 120.086 119.600 0.147 0.000 2.108 240 M HA -0.176 4.305 4.480 0.001 0.000 0.261 240 M C 2.446 178.871 176.300 0.209 0.000 1.066 240 M CA 1.904 57.317 55.300 0.188 0.000 1.107 240 M CB -0.211 32.605 32.600 0.360 0.000 1.356 240 M HN 0.337 nan 8.290 nan 0.000 0.406 241 E N 0.581 120.889 120.200 0.181 0.000 2.072 241 E HA -0.190 4.160 4.350 0.001 0.000 0.191 241 E C 1.687 178.311 176.600 0.040 0.000 0.985 241 E CA 1.160 57.660 56.400 0.166 0.000 0.801 241 E CB 0.114 29.844 29.700 0.050 0.000 0.750 241 E HN 0.502 nan 8.360 nan 0.000 0.452 242 E N -0.732 119.451 120.200 -0.028 0.000 2.204 242 E HA -0.152 4.198 4.350 0.001 0.000 0.194 242 E C 0.478 176.879 176.600 -0.330 0.000 0.989 242 E CA 0.764 57.064 56.400 -0.166 0.000 0.824 242 E CB -0.000 29.582 29.700 -0.197 0.000 0.756 242 E HN 0.422 nan 8.360 nan 0.000 0.477 243 H N -0.877 118.087 119.070 -0.176 0.000 2.539 243 H HA 0.291 4.847 4.556 0.001 0.000 0.293 243 H C 0.453 175.739 175.328 -0.069 0.000 1.156 243 H CA 0.304 56.258 56.048 -0.157 0.000 1.012 243 H CB 0.619 30.214 29.762 -0.277 0.000 1.600 243 H HN 0.199 nan 8.280 nan 0.000 0.538 244 G N 0.931 109.738 108.800 0.013 0.000 2.225 244 G HA2 -0.277 3.684 3.960 0.001 0.000 0.264 244 G HA3 -0.277 3.684 3.960 0.001 0.000 0.264 244 G C -0.102 174.819 174.900 0.034 0.000 1.060 244 G CA -0.074 45.039 45.100 0.021 0.000 0.833 244 G HN 0.433 nan 8.290 nan 0.000 0.498 245 I N 0.088 120.700 120.570 0.069 0.000 2.377 245 I HA 0.360 4.531 4.170 0.001 0.000 0.293 245 I C 0.525 176.662 176.117 0.032 0.000 0.987 245 I CA -0.812 60.495 61.300 0.012 0.000 1.185 245 I CB 1.497 39.505 38.000 0.015 0.000 1.341 245 I HN -0.047 nan 8.210 nan 0.000 0.455 246 K N 5.841 126.185 120.400 -0.094 0.000 2.172 246 K HA 0.493 4.814 4.320 0.001 0.000 0.276 246 K C -1.291 175.189 176.600 -0.201 0.000 1.013 246 K CA -0.346 55.918 56.287 -0.038 0.000 0.913 246 K CB 1.187 33.671 32.500 -0.025 0.000 1.055 246 K HN 0.272 nan 8.250 nan 0.000 0.461 247 F N 2.506 122.453 119.950 -0.005 0.000 2.467 247 F HA 0.400 4.927 4.527 0.001 0.000 0.336 247 F C 0.175 175.976 175.800 0.001 0.000 1.123 247 F CA -0.747 57.252 58.000 -0.001 0.000 0.964 247 F CB 1.155 40.160 39.000 0.009 0.000 1.136 247 F HN 0.257 nan 8.300 nan 0.000 0.447 248 I N 5.394 126.038 120.570 0.123 0.000 2.371 248 I HA 0.336 4.507 4.170 0.001 0.000 0.282 248 I C -0.459 175.780 176.117 0.202 0.000 1.031 248 I CA -0.720 60.626 61.300 0.078 0.000 1.180 248 I CB 0.352 38.307 38.000 -0.076 0.000 1.336 248 I HN 0.367 nan 8.210 nan 0.000 0.467 249 R N 4.937 125.587 120.500 0.250 0.000 2.349 249 R HA 0.372 4.712 4.340 0.001 0.000 0.299 249 R C -0.265 176.220 176.300 0.309 0.000 1.027 249 R CA -0.786 55.461 56.100 0.246 0.000 0.958 249 R CB 0.875 31.275 30.300 0.167 0.000 1.047 249 R HN 0.477 nan 8.270 nan 0.000 0.468 250 Q N 0.782 120.705 119.800 0.205 0.000 2.455 250 Q HA -0.202 4.138 4.340 0.001 0.000 0.343 250 Q C -1.501 174.519 176.000 0.033 0.000 1.458 250 Q CA 1.013 56.870 55.803 0.090 0.000 0.923 250 Q CB -1.323 27.409 28.738 -0.009 0.000 1.149 250 Q HN 0.483 nan 8.270 nan 0.000 0.357 251 F N -1.300 118.673 119.950 0.038 0.000 2.628 251 F HA 0.656 5.184 4.527 0.001 0.000 0.309 251 F C -0.330 175.487 175.800 0.029 0.000 1.108 251 F CA -0.946 57.075 58.000 0.034 0.000 0.971 251 F CB 1.708 40.731 39.000 0.038 0.000 1.279 251 F HN -0.086 nan 8.300 nan 0.000 0.441 252 V N 4.259 124.291 119.914 0.197 0.000 2.604 252 V HA 0.552 4.672 4.120 0.001 0.000 0.305 252 V C -2.230 173.951 176.094 0.146 0.000 1.043 252 V CA -2.079 60.299 62.300 0.131 0.000 0.888 252 V CB 2.375 34.241 31.823 0.071 0.000 0.995 252 V HN 0.448 nan 8.190 nan 0.000 0.429 253 P HA 0.204 nan 4.420 nan 0.000 0.275 253 P C 0.304 177.659 177.300 0.091 0.000 1.228 253 P CA 0.015 63.178 63.100 0.104 0.000 0.786 253 P CB 1.126 32.873 31.700 0.078 0.000 0.927 254 T N -0.867 113.742 114.554 0.092 0.000 3.018 254 T HA 0.168 4.518 4.350 0.001 0.000 0.246 254 T C 0.477 175.221 174.700 0.074 0.000 1.026 254 T CA 0.209 62.355 62.100 0.076 0.000 1.081 254 T CB 0.024 68.936 68.868 0.073 0.000 0.970 254 T HN 0.578 nan 8.240 nan 0.000 0.475 255 K N 0.380 120.829 120.400 0.082 0.000 2.562 255 K HA 0.670 4.991 4.320 0.001 0.000 0.267 255 K C -2.228 174.434 176.600 0.103 0.000 0.938 255 K CA -1.061 55.279 56.287 0.088 0.000 0.840 255 K CB 1.552 34.097 32.500 0.076 0.000 1.390 255 K HN 0.030 nan 8.250 nan 0.000 0.428 256 I N 1.975 122.623 120.570 0.130 0.000 2.418 256 I HA 0.213 4.384 4.170 0.001 0.000 0.287 256 I C -0.966 175.274 176.117 0.203 0.000 1.008 256 I CA -0.277 61.118 61.300 0.159 0.000 1.104 256 I CB 1.978 40.093 38.000 0.193 0.000 1.264 256 I HN 0.679 nan 8.210 nan 0.000 0.438 257 E N 5.413 125.672 120.200 0.098 0.000 2.224 257 E HA 0.390 4.741 4.350 0.001 0.000 0.265 257 E C -0.934 175.545 176.600 -0.203 0.000 0.878 257 E CA -1.093 55.325 56.400 0.030 0.000 0.759 257 E CB 1.737 31.458 29.700 0.034 0.000 1.164 257 E HN 0.493 nan 8.360 nan 0.000 0.414 258 Q N 3.655 123.105 119.800 -0.583 0.000 2.244 258 Q HA 0.048 4.388 4.340 0.001 0.000 0.276 258 Q C 0.083 175.909 176.000 -0.291 0.000 1.122 258 Q CA 0.275 55.672 55.803 -0.677 0.000 0.920 258 Q CB 0.426 28.513 28.738 -1.086 0.000 1.186 258 Q HN 0.779 nan 8.270 nan 0.000 0.393 259 I N 2.856 123.303 120.570 -0.205 0.000 3.578 259 I HA 0.120 4.290 4.170 0.001 0.000 0.295 259 I C 0.590 176.637 176.117 -0.117 0.000 1.280 259 I CA 0.435 61.658 61.300 -0.129 0.000 1.347 259 I CB 0.168 38.107 38.000 -0.102 0.000 1.051 259 I HN 0.712 nan 8.210 nan 0.000 0.460 260 E N -0.550 119.564 120.200 -0.144 0.000 2.432 260 E HA 0.644 4.994 4.350 0.001 0.000 0.279 260 E C -1.573 174.954 176.600 -0.122 0.000 1.099 260 E CA -0.619 55.714 56.400 -0.111 0.000 0.859 260 E CB 1.931 31.577 29.700 -0.090 0.000 1.402 260 E HN 0.029 nan 8.360 nan 0.000 0.451 261 A N 0.002 122.771 122.820 -0.084 0.000 2.309 261 A HA 0.989 5.310 4.320 0.001 0.000 0.317 261 A C -0.366 177.164 177.584 -0.089 0.000 1.134 261 A CA -0.135 51.856 52.037 -0.077 0.000 0.866 261 A CB 1.633 20.609 19.000 -0.039 0.000 1.329 261 A HN 0.761 nan 8.150 nan 0.000 0.477 262 G N -0.471 108.261 108.800 -0.114 0.000 2.026 262 G HA2 0.522 4.482 3.960 0.001 0.000 0.208 262 G HA3 0.522 4.482 3.960 0.001 0.000 0.208 262 G C -0.746 173.950 174.900 -0.341 0.000 1.640 262 G CA 0.072 45.063 45.100 -0.182 0.000 0.946 262 G HN 1.614 nan 8.290 nan 0.000 0.709 263 T N 1.197 115.496 114.554 -0.426 0.000 3.241 263 T HA 0.703 5.054 4.350 0.001 0.000 0.387 263 T C -2.097 172.237 174.700 -0.610 0.000 1.451 263 T CA -1.476 60.071 62.100 -0.922 0.000 1.363 263 T CB 2.078 70.573 68.868 -0.622 0.000 1.074 263 T HN 0.503 nan 8.240 nan 0.000 0.598 264 P HA 0.447 nan 4.420 nan 0.000 0.278 264 P C 0.859 178.003 177.300 -0.261 0.000 1.258 264 P CA -0.179 62.645 63.100 -0.459 0.000 0.811 264 P CB 1.017 32.710 31.700 -0.012 0.000 1.063 265 G N 1.464 110.152 108.800 -0.186 0.000 2.529 265 G HA2 0.267 4.227 3.960 0.001 0.000 0.234 265 G HA3 0.267 4.227 3.960 0.001 0.000 0.234 265 G C -0.486 174.361 174.900 -0.087 0.000 1.527 265 G CA -0.502 44.523 45.100 -0.124 0.000 1.062 265 G HN 0.539 nan 8.290 nan 0.000 0.558 266 R N -1.140 119.306 120.500 -0.090 0.000 2.508 266 R HA 0.408 4.749 4.340 0.001 0.000 0.283 266 R C -1.227 175.016 176.300 -0.095 0.000 1.120 266 R CA -0.422 55.632 56.100 -0.076 0.000 0.958 266 R CB 1.591 31.842 30.300 -0.082 0.000 1.215 266 R HN 0.310 nan 8.270 nan 0.000 0.427 267 L N 1.708 122.899 121.223 -0.054 0.000 2.323 267 L HA 0.614 4.954 4.340 0.001 0.000 0.265 267 L C -0.471 176.387 176.870 -0.020 0.000 1.012 267 L CA -1.043 53.763 54.840 -0.056 0.000 0.820 267 L CB 2.311 44.370 42.059 -0.000 0.000 1.334 267 L HN 0.362 nan 8.230 nan 0.000 0.427 268 K N 1.496 121.884 120.400 -0.020 0.000 2.394 268 K HA 0.572 4.892 4.320 0.001 0.000 0.260 268 K C -1.566 175.069 176.600 0.058 0.000 0.967 268 K CA -0.485 55.798 56.287 -0.007 0.000 0.855 268 K CB 1.800 34.278 32.500 -0.037 0.000 1.101 268 K HN 0.375 nan 8.250 nan 0.000 0.433 269 V N 3.667 123.648 119.914 0.112 0.000 2.394 269 V HA 0.323 4.444 4.120 0.001 0.000 0.282 269 V C -0.354 175.803 176.094 0.104 0.000 1.031 269 V CA -0.555 61.835 62.300 0.150 0.000 0.881 269 V CB 1.618 33.590 31.823 0.248 0.000 0.982 269 V HN 0.808 nan 8.190 nan 0.000 0.451 270 T N 3.982 118.590 114.554 0.090 0.000 2.792 270 T HA 0.787 5.137 4.350 0.001 0.000 0.280 270 T C -0.170 174.594 174.700 0.107 0.000 0.990 270 T CA -0.415 61.733 62.100 0.081 0.000 0.960 270 T CB 1.651 70.558 68.868 0.065 0.000 0.939 270 T HN 0.918 nan 8.240 nan 0.000 0.439 271 A N 3.009 125.911 122.820 0.136 0.000 2.393 271 A HA 0.748 5.068 4.320 0.001 0.000 0.306 271 A C -0.356 177.427 177.584 0.332 0.000 1.050 271 A CA -0.922 51.245 52.037 0.216 0.000 0.724 271 A CB 1.480 20.619 19.000 0.231 0.000 1.248 271 A HN 0.702 nan 8.150 nan 0.000 0.424 272 K N 0.935 121.484 120.400 0.247 0.000 2.087 272 K HA 0.512 4.833 4.320 0.001 0.000 0.255 272 K C 0.424 176.990 176.600 -0.057 0.000 0.988 272 K CA -0.270 56.097 56.287 0.133 0.000 0.915 272 K CB 1.276 33.805 32.500 0.049 0.000 1.043 272 K HN 0.738 nan 8.250 nan 0.000 0.457 273 S N 0.457 115.935 115.700 -0.371 0.000 2.600 273 S HA 0.026 4.496 4.470 0.001 0.000 0.265 273 S C 0.973 175.364 174.600 -0.348 0.000 1.325 273 S CA -0.209 57.538 58.200 -0.755 0.000 1.002 273 S CB 0.895 63.682 63.200 -0.688 0.000 0.921 273 S HN 0.656 nan 8.310 nan 0.000 0.554 274 T N 2.895 117.258 114.554 -0.318 0.000 2.951 274 T HA -0.024 4.326 4.350 0.001 0.000 0.268 274 T C 1.050 175.681 174.700 -0.114 0.000 1.073 274 T CA 1.616 63.627 62.100 -0.149 0.000 1.134 274 T CB -0.363 68.445 68.868 -0.100 0.000 0.884 274 T HN 0.849 nan 8.240 nan 0.000 0.479 275 N N -0.058 118.558 118.700 -0.141 0.000 2.441 275 N HA 0.075 4.816 4.740 0.001 0.000 0.257 275 N C 0.849 176.306 175.510 -0.088 0.000 1.058 275 N CA 0.220 53.215 53.050 -0.092 0.000 0.853 275 N CB -0.101 38.344 38.487 -0.070 0.000 1.694 275 N HN 0.263 nan 8.380 nan 0.000 0.542 276 S N -0.161 115.470 115.700 -0.115 0.000 2.633 276 S HA 0.234 4.704 4.470 0.001 0.000 0.257 276 S C 0.872 175.423 174.600 -0.081 0.000 1.265 276 S CA -0.123 58.026 58.200 -0.086 0.000 0.980 276 S CB 1.082 64.236 63.200 -0.077 0.000 1.017 276 S HN 0.135 nan 8.310 nan 0.000 0.577 277 E N 0.042 120.215 120.200 -0.044 0.000 2.276 277 E HA 0.198 4.548 4.350 0.001 0.000 0.193 277 E C 0.532 177.129 176.600 -0.005 0.000 0.983 277 E CA 0.135 56.521 56.400 -0.024 0.000 0.861 277 E CB -0.395 29.300 29.700 -0.008 0.000 0.817 277 E HN 0.762 nan 8.360 nan 0.000 0.485 278 E N 0.152 120.356 120.200 0.007 0.000 2.680 278 E HA -0.099 4.252 4.350 0.001 0.000 0.278 278 E C -0.649 176.032 176.600 0.136 0.000 1.018 278 E CA 0.850 57.292 56.400 0.069 0.000 0.991 278 E CB 0.404 30.166 29.700 0.102 0.000 1.006 278 E HN -0.052 nan 8.360 nan 0.000 0.464 279 T N 3.175 117.833 114.554 0.174 0.000 2.886 279 T HA 0.505 4.855 4.350 0.001 0.000 0.292 279 T C -0.723 174.081 174.700 0.174 0.000 1.012 279 T CA -0.619 61.596 62.100 0.193 0.000 0.982 279 T CB 0.547 69.479 68.868 0.108 0.000 1.018 279 T HN 0.454 nan 8.240 nan 0.000 0.451 280 I N 0.116 120.779 120.570 0.155 0.000 2.740 280 I HA 0.863 5.033 4.170 0.001 0.000 0.303 280 I C -0.659 175.459 176.117 0.001 0.000 1.044 280 I CA -0.829 60.476 61.300 0.007 0.000 1.064 280 I CB 2.226 40.115 38.000 -0.184 0.000 1.249 280 I HN 0.413 nan 8.210 nan 0.000 0.433 281 E N 2.941 123.124 120.200 -0.028 0.000 2.224 281 E HA 0.476 4.826 4.350 0.001 0.000 0.265 281 E C -1.556 174.991 176.600 -0.090 0.000 0.878 281 E CA -0.587 55.792 56.400 -0.035 0.000 0.759 281 E CB 1.826 31.507 29.700 -0.032 0.000 1.164 281 E HN 0.637 nan 8.360 nan 0.000 0.414 282 D N 1.559 121.886 120.400 -0.122 0.000 2.566 282 D HA 0.255 4.895 4.640 0.001 0.000 0.254 282 D C -1.360 174.691 176.300 -0.416 0.000 1.090 282 D CA -0.515 53.297 54.000 -0.313 0.000 1.034 282 D CB 1.767 42.283 40.800 -0.474 0.000 1.434 282 D HN 0.490 nan 8.370 nan 0.000 0.509 283 E N 0.417 120.243 120.200 -0.622 0.000 2.234 283 E HA 0.566 4.916 4.350 0.001 0.000 0.266 283 E C -1.366 174.807 176.600 -0.712 0.000 0.877 283 E CA -0.679 55.420 56.400 -0.502 0.000 0.758 283 E CB 1.441 30.992 29.700 -0.248 0.000 1.170 283 E HN 0.169 nan 8.360 nan 0.000 0.415 284 F N 1.278 121.195 119.950 -0.055 0.000 2.618 284 F HA 0.407 4.934 4.527 0.001 0.000 0.332 284 F C 1.366 177.134 175.800 -0.052 0.000 1.061 284 F CA -1.040 56.927 58.000 -0.055 0.000 0.974 284 F CB 1.433 40.400 39.000 -0.056 0.000 1.310 284 F HN 0.422 nan 8.300 nan 0.000 0.491 285 N N -0.588 118.204 118.700 0.154 0.000 2.368 285 N HA 0.058 4.798 4.740 0.001 0.000 0.176 285 N C -0.211 175.347 175.510 0.081 0.000 1.021 285 N CA 0.859 53.952 53.050 0.071 0.000 0.888 285 N CB 0.356 38.865 38.487 0.037 0.000 0.995 285 N HN 0.457 nan 8.380 nan 0.000 0.437 286 T N 0.597 115.198 114.554 0.079 0.000 2.933 286 T HA 0.442 4.792 4.350 0.001 0.000 0.305 286 T C -0.774 173.910 174.700 -0.026 0.000 1.092 286 T CA -0.487 61.632 62.100 0.032 0.000 1.008 286 T CB 3.060 71.911 68.868 -0.028 0.000 1.102 286 T HN -0.348 nan 8.240 nan 0.000 0.469 287 V N 3.505 123.405 119.914 -0.023 0.000 2.409 287 V HA 0.509 4.629 4.120 0.001 0.000 0.291 287 V C -0.695 175.340 176.094 -0.099 0.000 1.020 287 V CA -0.809 61.433 62.300 -0.097 0.000 0.848 287 V CB 1.504 33.304 31.823 -0.038 0.000 0.990 287 V HN 0.700 nan 8.190 nan 0.000 0.430 288 L N 6.787 127.911 121.223 -0.166 0.000 2.257 288 L HA 0.536 4.876 4.340 0.001 0.000 0.290 288 L C -0.505 176.267 176.870 -0.164 0.000 1.044 288 L CA 0.157 54.898 54.840 -0.165 0.000 0.810 288 L CB 0.917 42.857 42.059 -0.198 0.000 1.193 288 L HN 0.539 nan 8.230 nan 0.000 0.425 289 L N 6.321 127.446 121.223 -0.164 0.000 2.259 289 L HA 0.588 4.928 4.340 0.001 0.000 0.288 289 L C 0.106 176.859 176.870 -0.196 0.000 1.051 289 L CA -0.375 54.358 54.840 -0.180 0.000 0.824 289 L CB 0.991 42.913 42.059 -0.229 0.000 1.206 289 L HN 0.811 nan 8.230 nan 0.000 0.429 290 A N 4.290 127.019 122.820 -0.152 0.000 2.802 290 A HA 0.558 4.879 4.320 0.001 0.000 0.344 290 A C 0.025 177.544 177.584 -0.107 0.000 1.215 290 A CA -0.371 51.584 52.037 -0.137 0.000 0.821 290 A CB 0.526 19.450 19.000 -0.127 0.000 1.099 290 A HN 0.497 nan 8.150 nan 0.000 0.479 291 V N -0.489 119.364 119.914 -0.103 0.000 2.656 291 V HA 0.716 4.837 4.120 0.001 0.000 0.312 291 V C 0.364 176.430 176.094 -0.046 0.000 1.181 291 V CA 0.000 62.263 62.300 -0.062 0.000 1.250 291 V CB -0.687 31.108 31.823 -0.047 0.000 1.468 291 V HN 2.179 nan 8.190 nan 0.000 0.651 292 G N 1.452 110.218 108.800 -0.057 0.000 2.712 292 G HA2 0.002 3.963 3.960 0.001 0.000 0.683 292 G HA3 0.002 3.963 3.960 0.001 0.000 0.683 292 G C -0.707 174.184 174.900 -0.015 0.000 1.320 292 G CA -0.496 44.585 45.100 -0.030 0.000 0.847 292 G HN 0.973 nan 8.290 nan 0.000 0.553 293 R N 0.430 120.940 120.500 0.017 0.000 2.548 293 R HA 0.454 4.794 4.340 0.001 0.000 0.280 293 R C -1.631 174.707 176.300 0.065 0.000 1.061 293 R CA -1.048 55.080 56.100 0.046 0.000 0.915 293 R CB 2.170 32.507 30.300 0.060 0.000 1.210 293 R HN 0.577 nan 8.270 nan 0.000 0.442 294 D N 1.546 121.993 120.400 0.079 0.000 2.210 294 D HA 0.182 4.823 4.640 0.001 0.000 0.249 294 D C -0.051 176.304 176.300 0.092 0.000 1.062 294 D CA -0.285 53.763 54.000 0.080 0.000 0.891 294 D CB 1.577 42.427 40.800 0.083 0.000 1.186 294 D HN 0.265 nan 8.370 nan 0.000 0.432 295 S N 0.601 116.351 115.700 0.084 0.000 2.568 295 S HA 0.049 4.519 4.470 0.001 0.000 0.282 295 S C 0.339 174.998 174.600 0.099 0.000 1.338 295 S CA -0.460 57.793 58.200 0.089 0.000 1.045 295 S CB 0.398 63.643 63.200 0.076 0.000 0.873 295 S HN 0.496 nan 8.310 nan 0.000 0.516 296 C N 3.346 122.712 119.300 0.109 0.000 2.484 296 C HA 0.310 4.770 4.460 0.001 0.000 0.494 296 C C 1.856 176.911 174.990 0.108 0.000 1.052 296 C CA -0.664 58.429 59.018 0.126 0.000 1.307 296 C CB -2.227 25.598 27.740 0.143 0.000 1.464 296 C HN 1.044 nan 8.230 nan 0.000 0.564 297 T N -2.230 112.384 114.554 0.099 0.000 2.955 297 T HA 0.045 4.395 4.350 0.001 0.000 0.251 297 T C 1.963 176.718 174.700 0.091 0.000 1.002 297 T CA -0.164 61.989 62.100 0.089 0.000 0.970 297 T CB 0.188 69.097 68.868 0.069 0.000 1.091 297 T HN 0.367 nan 8.240 nan 0.000 0.495 298 R N 2.909 123.464 120.500 0.091 0.000 2.127 298 R HA -0.050 4.290 4.340 0.001 0.000 0.228 298 R C 2.163 178.524 176.300 0.100 0.000 1.125 298 R CA 2.169 58.318 56.100 0.082 0.000 0.904 298 R CB -1.838 28.506 30.300 0.074 0.000 0.831 298 R HN 0.630 nan 8.270 nan 0.000 0.431 299 T N -0.325 114.309 114.554 0.132 0.000 3.268 299 T HA 0.337 4.688 4.350 0.001 0.000 0.244 299 T C 1.208 176.052 174.700 0.241 0.000 0.915 299 T CA -0.393 61.795 62.100 0.147 0.000 0.935 299 T CB -0.953 67.975 68.868 0.100 0.000 1.110 299 T HN 0.420 nan 8.240 nan 0.000 0.573 300 I N -2.926 117.762 120.570 0.197 0.000 3.927 300 I HA 0.575 4.746 4.170 0.001 0.000 0.332 300 I C 1.125 177.372 176.117 0.217 0.000 1.485 300 I CA -0.808 60.604 61.300 0.186 0.000 1.131 300 I CB -0.522 37.540 38.000 0.104 0.000 1.092 300 I HN 0.325 nan 8.210 nan 0.000 0.410 301 G N 2.382 111.291 108.800 0.182 0.000 2.338 301 G HA2 -0.248 3.712 3.960 0.001 0.000 0.296 301 G HA3 -0.248 3.712 3.960 0.001 0.000 0.296 301 G C 0.471 175.479 174.900 0.179 0.000 1.040 301 G CA 0.316 45.517 45.100 0.170 0.000 1.004 301 G HN 0.359 nan 8.290 nan 0.000 0.509 302 L N -0.070 121.227 121.223 0.124 0.000 2.141 302 L HA 0.076 4.416 4.340 0.001 0.000 0.209 302 L C 2.658 179.483 176.870 -0.075 0.000 1.094 302 L CA 2.490 57.335 54.840 0.009 0.000 0.763 302 L CB -0.798 41.271 42.059 0.016 0.000 0.908 302 L HN 0.599 nan 8.230 nan 0.000 0.437 303 E N -0.718 119.469 120.200 -0.022 0.000 2.048 303 E HA -0.275 4.076 4.350 0.001 0.000 0.202 303 E C 1.971 178.539 176.600 -0.053 0.000 1.021 303 E CA 1.951 58.331 56.400 -0.033 0.000 0.825 303 E CB -1.273 28.423 29.700 -0.007 0.000 0.756 303 E HN 0.528 nan 8.360 nan 0.000 0.454 304 T N -1.176 113.361 114.554 -0.028 0.000 3.026 304 T HA -0.104 4.247 4.350 0.001 0.000 0.271 304 T C 1.368 176.015 174.700 -0.088 0.000 1.149 304 T CA 1.286 63.371 62.100 -0.025 0.000 1.088 304 T CB -0.433 68.456 68.868 0.035 0.000 0.857 304 T HN 0.192 nan 8.240 nan 0.000 0.551 305 V N -4.524 115.269 119.914 -0.201 0.000 3.382 305 V HA 0.672 4.792 4.120 0.001 0.000 0.296 305 V C 1.422 177.364 176.094 -0.253 0.000 1.529 305 V CA -0.181 61.950 62.300 -0.282 0.000 1.048 305 V CB -0.602 30.834 31.823 -0.644 0.000 0.878 305 V HN 0.562 nan 8.190 nan 0.000 0.442 306 G N 1.402 110.087 108.800 -0.192 0.000 2.295 306 G HA2 -0.190 3.770 3.960 0.001 0.000 0.287 306 G HA3 -0.190 3.770 3.960 0.001 0.000 0.287 306 G C -0.004 174.788 174.900 -0.180 0.000 1.055 306 G CA 0.304 45.316 45.100 -0.147 0.000 0.922 306 G HN 0.835 nan 8.290 nan 0.000 0.503 307 V N 0.208 119.988 119.914 -0.223 0.000 2.470 307 V HA 0.227 4.348 4.120 0.001 0.000 0.276 307 V C 1.067 177.088 176.094 -0.122 0.000 1.040 307 V CA -0.007 62.170 62.300 -0.204 0.000 1.008 307 V CB 1.258 32.939 31.823 -0.236 0.000 0.990 307 V HN 0.413 nan 8.190 nan 0.000 0.477 308 K N 5.309 125.646 120.400 -0.104 0.000 2.322 308 K HA 0.513 4.834 4.320 0.001 0.000 0.283 308 K C -0.283 176.285 176.600 -0.053 0.000 1.042 308 K CA -0.091 56.154 56.287 -0.069 0.000 0.958 308 K CB 0.721 33.183 32.500 -0.062 0.000 0.984 308 K HN 0.734 nan 8.250 nan 0.000 0.473 309 I N -0.205 120.344 120.570 -0.034 0.000 2.646 309 I HA 0.363 4.534 4.170 0.001 0.000 0.299 309 I C -0.353 175.757 176.117 -0.012 0.000 1.036 309 I CA -1.134 60.155 61.300 -0.018 0.000 1.074 309 I CB 1.783 39.781 38.000 -0.002 0.000 1.258 309 I HN 0.379 nan 8.210 nan 0.000 0.430 310 N N 4.545 123.240 118.700 -0.008 0.000 2.417 310 N HA -0.052 4.689 4.740 0.001 0.000 0.272 310 N C 0.757 176.269 175.510 0.003 0.000 1.304 310 N CA 0.525 53.572 53.050 -0.004 0.000 0.906 310 N CB 0.582 39.068 38.487 -0.002 0.000 1.135 310 N HN 0.673 nan 8.380 nan 0.000 0.483 311 E N 3.734 123.936 120.200 0.002 0.000 2.072 311 E HA -0.195 4.155 4.350 0.001 0.000 0.191 311 E C 1.400 178.006 176.600 0.011 0.000 0.985 311 E CA 0.918 57.322 56.400 0.006 0.000 0.801 311 E CB -0.029 29.673 29.700 0.003 0.000 0.750 311 E HN 0.730 nan 8.360 nan 0.000 0.452 312 K N 0.593 120.999 120.400 0.009 0.000 2.002 312 K HA -0.134 4.187 4.320 0.001 0.000 0.209 312 K C 2.180 178.791 176.600 0.017 0.000 1.048 312 K CA 2.124 58.418 56.287 0.012 0.000 0.930 312 K CB -0.129 32.376 32.500 0.008 0.000 0.714 312 K HN 0.229 nan 8.250 nan 0.000 0.438 313 T N -4.017 110.547 114.554 0.017 0.000 2.983 313 T HA 0.199 4.549 4.350 0.001 0.000 0.250 313 T C 1.493 176.211 174.700 0.030 0.000 1.037 313 T CA 1.002 63.116 62.100 0.023 0.000 1.142 313 T CB 0.223 69.103 68.868 0.020 0.000 0.876 313 T HN 0.466 nan 8.240 nan 0.000 0.455 314 G N 1.184 110.000 108.800 0.027 0.000 2.184 314 G HA2 -0.137 3.823 3.960 0.001 0.000 0.206 314 G HA3 -0.137 3.823 3.960 0.001 0.000 0.206 314 G C 0.041 174.961 174.900 0.034 0.000 0.995 314 G CA -0.197 44.923 45.100 0.034 0.000 0.651 314 G HN 0.590 nan 8.290 nan 0.000 0.511 315 K N 0.393 120.808 120.400 0.026 0.000 2.168 315 K HA 0.528 4.848 4.320 0.001 0.000 0.258 315 K C 0.568 177.175 176.600 0.012 0.000 1.010 315 K CA -0.363 55.938 56.287 0.023 0.000 0.929 315 K CB 1.055 33.565 32.500 0.017 0.000 0.998 315 K HN 0.310 nan 8.250 nan 0.000 0.479 316 I N 4.352 124.929 120.570 0.012 0.000 2.306 316 I HA 0.151 4.321 4.170 0.001 0.000 0.288 316 I C -2.099 174.008 176.117 -0.016 0.000 1.036 316 I CA -2.269 59.030 61.300 -0.002 0.000 1.221 316 I CB 1.101 39.105 38.000 0.007 0.000 1.385 316 I HN 0.145 nan 8.210 nan 0.000 0.472 317 P HA 0.141 nan 4.420 nan 0.000 0.268 317 P C -0.629 176.643 177.300 -0.047 0.000 1.208 317 P CA -0.031 63.045 63.100 -0.040 0.000 0.777 317 P CB 1.067 32.743 31.700 -0.040 0.000 0.875 318 V N 0.716 120.599 119.914 -0.052 0.000 3.023 318 V HA 0.283 4.403 4.120 0.001 0.000 0.294 318 V C -0.017 176.051 176.094 -0.044 0.000 1.324 318 V CA -0.506 61.767 62.300 -0.044 0.000 0.979 318 V CB 2.325 34.134 31.823 -0.023 0.000 1.093 318 V HN 0.761 nan 8.190 nan 0.000 0.434 319 T N 0.308 114.847 114.554 -0.025 0.000 2.748 319 T HA 0.106 4.457 4.350 0.001 0.000 0.304 319 T C 1.011 175.708 174.700 -0.005 0.000 1.041 319 T CA 0.489 62.580 62.100 -0.014 0.000 1.033 319 T CB 0.571 69.440 68.868 0.002 0.000 0.995 319 T HN 0.921 nan 8.240 nan 0.000 0.536 320 D N -0.578 119.819 120.400 -0.004 0.000 2.403 320 D HA -0.112 4.529 4.640 0.001 0.000 0.227 320 D C 0.926 177.260 176.300 0.057 0.000 0.995 320 D CA 0.708 54.713 54.000 0.009 0.000 0.928 320 D CB -0.266 40.543 40.800 0.013 0.000 0.887 320 D HN 0.850 nan 8.370 nan 0.000 0.529 321 E N -0.431 119.811 120.200 0.069 0.000 2.558 321 E HA 0.086 4.436 4.350 0.001 0.000 0.205 321 E C -0.446 176.249 176.600 0.158 0.000 1.006 321 E CA -0.194 56.265 56.400 0.099 0.000 0.961 321 E CB 0.270 30.029 29.700 0.098 0.000 1.044 321 E HN 0.015 nan 8.360 nan 0.000 0.465 322 E N 0.351 120.638 120.200 0.145 0.000 2.971 322 E HA -0.259 4.091 4.350 0.001 0.000 0.278 322 E C -0.255 176.526 176.600 0.302 0.000 1.009 322 E CA 0.647 57.156 56.400 0.182 0.000 0.862 322 E CB -1.180 28.629 29.700 0.181 0.000 1.436 322 E HN 0.301 nan 8.360 nan 0.000 0.434 323 Q N 0.945 120.873 119.800 0.213 0.000 2.256 323 Q HA 0.331 4.672 4.340 0.001 0.000 0.254 323 Q C 0.427 176.347 176.000 -0.132 0.000 0.916 323 Q CA 0.183 55.954 55.803 -0.053 0.000 0.932 323 Q CB 0.861 29.555 28.738 -0.073 0.000 1.207 323 Q HN 0.290 nan 8.270 nan 0.000 0.426 324 T N 0.588 114.999 114.554 -0.237 0.000 2.726 324 T HA 0.025 4.375 4.350 0.001 0.000 0.294 324 T C 1.351 175.926 174.700 -0.209 0.000 1.013 324 T CA -0.043 61.941 62.100 -0.192 0.000 0.996 324 T CB 0.419 69.163 68.868 -0.206 0.000 1.016 324 T HN 0.831 nan 8.240 nan 0.000 0.529 325 N N 0.122 118.722 118.700 -0.167 0.000 2.205 325 N HA -0.114 4.626 4.740 0.001 0.000 0.186 325 N C 0.434 175.835 175.510 -0.182 0.000 1.015 325 N CA 0.864 53.827 53.050 -0.146 0.000 0.862 325 N CB -1.193 37.228 38.487 -0.111 0.000 0.986 325 N HN 0.453 nan 8.380 nan 0.000 0.429 326 V N 3.657 123.413 119.914 -0.263 0.000 2.415 326 V HA 0.112 4.233 4.120 0.001 0.000 0.267 326 V C -1.089 174.762 176.094 -0.406 0.000 1.042 326 V CA -1.104 60.993 62.300 -0.338 0.000 1.000 326 V CB 0.974 32.496 31.823 -0.501 0.000 1.015 326 V HN 0.171 nan 8.190 nan 0.000 0.478 327 P HA -0.188 nan 4.420 nan 0.000 0.220 327 P C 0.947 178.151 177.300 -0.160 0.000 1.144 327 P CA 1.594 64.595 63.100 -0.165 0.000 0.800 327 P CB 0.017 31.716 31.700 -0.002 0.000 0.772 328 Y N -2.044 118.168 120.300 -0.148 0.000 2.462 328 Y HA 0.461 5.012 4.550 0.001 0.000 0.261 328 Y C 0.851 176.705 175.900 -0.077 0.000 1.146 328 Y CA -0.943 57.125 58.100 -0.052 0.000 1.283 328 Y CB -0.636 37.821 38.460 -0.005 0.000 1.090 328 Y HN -0.261 nan 8.280 nan 0.000 0.526 329 I N 1.425 121.599 120.570 -0.660 0.000 2.377 329 I HA 0.300 4.470 4.170 0.001 0.000 0.293 329 I C -1.159 174.672 176.117 -0.477 0.000 0.987 329 I CA -0.833 60.218 61.300 -0.416 0.000 1.185 329 I CB 1.046 38.715 38.000 -0.552 0.000 1.341 329 I HN -0.020 nan 8.210 nan 0.000 0.455 330 Y N 3.941 124.269 120.300 0.046 0.000 2.562 330 Y HA 0.797 5.347 4.550 0.000 0.000 0.343 330 Y C 0.109 176.045 175.900 0.060 0.000 1.025 330 Y CA -0.901 57.223 58.100 0.039 0.000 1.082 330 Y CB 2.029 40.520 38.460 0.051 0.000 1.264 330 Y HN 0.529 nan 8.280 nan 0.000 0.478 331 A N 2.418 125.365 122.820 0.212 0.000 2.414 331 A HA 0.863 5.183 4.320 0.001 0.000 0.306 331 A C -1.776 175.893 177.584 0.141 0.000 1.054 331 A CA -0.605 51.518 52.037 0.144 0.000 0.724 331 A CB 1.193 20.243 19.000 0.084 0.000 1.267 331 A HN 0.522 nan 8.150 nan 0.000 0.418 332 I N 1.052 121.695 120.570 0.121 0.000 2.686 332 I HA 0.675 4.845 4.170 0.001 0.000 0.295 332 I C 0.885 177.067 176.117 0.107 0.000 1.114 332 I CA 0.950 62.320 61.300 0.117 0.000 1.038 332 I CB 1.218 39.276 38.000 0.097 0.000 1.238 332 I HN 1.484 nan 8.210 nan 0.000 0.420 333 G N 6.257 115.132 108.800 0.125 0.000 2.509 333 G HA2 -0.255 3.705 3.960 0.001 0.000 0.256 333 G HA3 -0.255 3.705 3.960 0.001 0.000 0.256 333 G C 0.435 175.404 174.900 0.115 0.000 1.152 333 G CA 0.451 45.618 45.100 0.113 0.000 0.951 333 G HN 0.467 nan 8.290 nan 0.000 0.559 334 D N 0.856 121.317 120.400 0.102 0.000 2.149 334 D HA -0.016 4.624 4.640 0.001 0.000 0.201 334 D C 2.581 178.936 176.300 0.091 0.000 0.972 334 D CA 1.569 55.632 54.000 0.104 0.000 0.835 334 D CB -0.302 40.564 40.800 0.110 0.000 0.966 334 D HN 0.706 nan 8.370 nan 0.000 0.476 335 I N -1.377 119.243 120.570 0.084 0.000 2.756 335 I HA -0.057 4.113 4.170 0.001 0.000 0.262 335 I C 0.699 176.849 176.117 0.056 0.000 1.225 335 I CA 0.223 61.566 61.300 0.072 0.000 1.472 335 I CB -0.486 37.557 38.000 0.073 0.000 1.094 335 I HN -0.170 nan 8.210 nan 0.000 0.454 336 L N 2.134 123.391 121.223 0.056 0.000 2.483 336 L HA 0.125 4.465 4.340 0.001 0.000 0.275 336 L C 0.639 177.514 176.870 0.009 0.000 1.220 336 L CA 0.366 55.222 54.840 0.026 0.000 0.833 336 L CB 0.268 42.340 42.059 0.022 0.000 1.102 336 L HN 0.316 nan 8.230 nan 0.000 0.490 337 E N 1.115 121.304 120.200 -0.019 0.000 2.227 337 E HA 0.252 4.603 4.350 0.001 0.000 0.282 337 E C 0.523 177.094 176.600 -0.048 0.000 1.015 337 E CA 0.062 56.449 56.400 -0.023 0.000 0.823 337 E CB 1.077 30.762 29.700 -0.025 0.000 1.081 337 E HN 0.772 nan 8.360 nan 0.000 0.396 338 G N 4.062 112.844 108.800 -0.029 0.000 2.366 338 G HA2 -0.245 3.716 3.960 0.001 0.000 0.299 338 G HA3 -0.245 3.716 3.960 0.001 0.000 0.299 338 G C -0.199 174.668 174.900 -0.055 0.000 1.020 338 G CA 0.545 45.624 45.100 -0.036 0.000 1.026 338 G HN 0.354 nan 8.290 nan 0.000 0.512 339 K N -1.265 119.123 120.400 -0.021 0.000 2.261 339 K HA 0.710 5.030 4.320 0.001 0.000 0.242 339 K C 0.301 176.961 176.600 0.101 0.000 1.083 339 K CA -1.161 55.143 56.287 0.027 0.000 0.880 339 K CB 0.926 33.437 32.500 0.018 0.000 1.353 339 K HN 0.108 nan 8.250 nan 0.000 0.486 340 L N 1.603 122.933 121.223 0.178 0.000 2.326 340 L HA 0.255 4.595 4.340 0.001 0.000 0.278 340 L C 0.285 177.232 176.870 0.128 0.000 1.092 340 L CA -0.017 54.898 54.840 0.124 0.000 0.810 340 L CB 0.466 42.587 42.059 0.104 0.000 1.153 340 L HN 0.429 nan 8.230 nan 0.000 0.439 341 E N 5.336 125.607 120.200 0.118 0.000 2.127 341 E HA 0.413 4.763 4.350 0.001 0.000 0.262 341 E C -1.085 175.582 176.600 0.112 0.000 1.144 341 E CA -0.042 56.438 56.400 0.133 0.000 1.144 341 E CB 0.090 29.892 29.700 0.170 0.000 1.297 341 E HN 0.393 nan 8.360 nan 0.000 0.469 342 L N 0.310 121.575 121.223 0.070 0.000 2.401 342 L HA 0.301 4.642 4.340 0.001 0.000 0.266 342 L C 1.210 178.097 176.870 0.029 0.000 0.991 342 L CA -0.675 54.182 54.840 0.029 0.000 0.818 342 L CB 2.040 44.093 42.059 -0.010 0.000 1.321 342 L HN 0.123 nan 8.230 nan 0.000 0.413 343 T N 0.837 115.406 114.554 0.025 0.000 2.652 343 T HA -0.077 4.273 4.350 0.001 0.000 0.267 343 T C -1.075 173.627 174.700 0.002 0.000 1.039 343 T CA 1.787 63.899 62.100 0.019 0.000 1.153 343 T CB -0.619 68.260 68.868 0.019 0.000 0.863 343 T HN 0.490 nan 8.240 nan 0.000 0.428 344 P HA -0.000 nan 4.420 nan 0.000 0.218 344 P C 1.624 178.894 177.300 -0.049 0.000 1.149 344 P CA 0.471 63.556 63.100 -0.025 0.000 0.817 344 P CB -0.237 31.445 31.700 -0.031 0.000 0.785 345 V N 0.827 120.707 119.914 -0.057 0.000 2.214 345 V HA -0.330 3.790 4.120 0.001 0.000 0.247 345 V C 2.537 178.592 176.094 -0.065 0.000 1.051 345 V CA 2.598 64.837 62.300 -0.102 0.000 1.003 345 V CB -1.805 29.983 31.823 -0.060 0.000 0.635 345 V HN 0.122 nan 8.190 nan 0.000 0.447 346 A N -0.176 122.644 122.820 -0.001 0.000 1.884 346 A HA -0.275 4.045 4.320 0.001 0.000 0.219 346 A C 2.172 179.759 177.584 0.004 0.000 1.197 346 A CA 2.554 54.606 52.037 0.024 0.000 0.637 346 A CB -0.773 18.249 19.000 0.037 0.000 0.827 346 A HN 0.543 nan 8.150 nan 0.000 0.450 347 I N -0.917 119.649 120.570 -0.008 0.000 2.118 347 I HA -0.352 3.819 4.170 0.001 0.000 0.241 347 I C 2.840 178.947 176.117 -0.018 0.000 1.070 347 I CA 2.131 63.425 61.300 -0.009 0.000 1.327 347 I CB -0.398 37.598 38.000 -0.006 0.000 1.034 347 I HN 0.550 nan 8.210 nan 0.000 0.405 348 Q N 1.148 120.922 119.800 -0.044 0.000 2.020 348 Q HA -0.187 4.154 4.340 0.001 0.000 0.202 348 Q C 2.197 178.165 176.000 -0.053 0.000 0.982 348 Q CA 2.297 58.063 55.803 -0.061 0.000 0.838 348 Q CB -0.353 28.320 28.738 -0.109 0.000 0.899 348 Q HN 0.457 nan 8.270 nan 0.000 0.423 349 A N 0.333 123.115 122.820 -0.063 0.000 1.859 349 A HA -0.198 4.123 4.320 0.001 0.000 0.218 349 A C 2.377 179.972 177.584 0.018 0.000 1.209 349 A CA 2.195 54.230 52.037 -0.004 0.000 0.639 349 A CB -1.886 17.158 19.000 0.073 0.000 0.835 349 A HN 0.628 nan 8.150 nan 0.000 0.450 350 G N -0.966 107.847 108.800 0.021 0.000 2.476 350 G HA2 -0.320 3.641 3.960 0.001 0.000 0.218 350 G HA3 -0.320 3.641 3.960 0.001 0.000 0.218 350 G C 1.765 176.674 174.900 0.016 0.000 1.164 350 G CA 1.287 46.399 45.100 0.020 0.000 0.768 350 G HN 0.601 nan 8.290 nan 0.000 0.560 351 R N -0.112 120.396 120.500 0.014 0.000 2.081 351 R HA 0.092 4.432 4.340 0.001 0.000 0.235 351 R C 2.576 178.894 176.300 0.031 0.000 1.131 351 R CA 1.063 57.179 56.100 0.028 0.000 0.960 351 R CB -0.355 29.956 30.300 0.018 0.000 0.856 351 R HN 0.406 nan 8.270 nan 0.000 0.436 352 L N 0.880 122.108 121.223 0.008 0.000 2.156 352 L HA -0.144 4.196 4.340 0.001 0.000 0.208 352 L C 2.440 179.297 176.870 -0.022 0.000 1.095 352 L CA 0.279 55.119 54.840 0.000 0.000 0.770 352 L CB -0.323 41.731 42.059 -0.010 0.000 0.914 352 L HN 0.278 nan 8.230 nan 0.000 0.439 353 L N 0.425 121.628 121.223 -0.034 0.000 2.012 353 L HA -0.165 4.176 4.340 0.001 0.000 0.210 353 L C 2.601 179.393 176.870 -0.131 0.000 1.073 353 L CA 2.135 56.912 54.840 -0.105 0.000 0.748 353 L CB -0.720 41.269 42.059 -0.117 0.000 0.891 353 L HN 0.121 nan 8.230 nan 0.000 0.431 354 A N -1.169 121.633 122.820 -0.028 0.000 1.972 354 A HA -0.199 4.122 4.320 0.001 0.000 0.219 354 A C 2.159 179.751 177.584 0.014 0.000 1.169 354 A CA 1.514 53.591 52.037 0.067 0.000 0.635 354 A CB -0.529 18.570 19.000 0.166 0.000 0.810 354 A HN 0.626 nan 8.150 nan 0.000 0.446 355 Q N -0.103 119.702 119.800 0.009 0.000 2.050 355 Q HA -0.158 4.182 4.340 0.001 0.000 0.202 355 Q C 2.264 178.157 176.000 -0.177 0.000 0.980 355 Q CA 1.697 57.483 55.803 -0.029 0.000 0.840 355 Q CB -0.420 28.336 28.738 0.030 0.000 0.898 355 Q HN 0.719 nan 8.270 nan 0.000 0.424 356 R N 0.128 120.532 120.500 -0.160 0.000 2.070 356 R HA -0.060 4.280 4.340 0.001 0.000 0.232 356 R C 2.594 178.712 176.300 -0.303 0.000 1.138 356 R CA 1.148 57.135 56.100 -0.189 0.000 0.936 356 R CB -0.499 29.712 30.300 -0.150 0.000 0.839 356 R HN 0.198 nan 8.270 nan 0.000 0.429 357 L N -0.845 120.118 121.223 -0.434 0.000 2.012 357 L HA -0.209 4.131 4.340 0.001 0.000 0.210 357 L C 1.563 177.916 176.870 -0.862 0.000 1.073 357 L CA 1.596 55.989 54.840 -0.744 0.000 0.748 357 L CB -0.336 41.056 42.059 -1.111 0.000 0.891 357 L HN 0.292 nan 8.230 nan 0.000 0.431 358 Y N -1.954 118.110 120.300 -0.394 0.000 2.500 358 Y HA 0.298 4.849 4.550 0.001 0.000 0.246 358 Y C 1.795 177.076 175.900 -1.032 0.000 1.146 358 Y CA 0.180 57.955 58.100 -0.541 0.000 1.230 358 Y CB 0.424 38.650 38.460 -0.389 0.000 1.214 358 Y HN -0.004 nan 8.280 nan 0.000 0.526 359 G N -1.129 107.120 108.800 -0.919 0.000 3.342 359 G HA2 0.355 4.315 3.960 0.001 0.000 0.252 359 G HA3 0.355 4.315 3.960 0.001 0.000 0.252 359 G C 1.171 175.915 174.900 -0.259 0.000 1.011 359 G CA 0.043 44.654 45.100 -0.815 0.000 0.869 359 G HN 0.357 nan 8.290 nan 0.000 0.514 360 G N 0.484 109.142 108.800 -0.237 0.000 2.305 360 G HA2 -0.215 3.745 3.960 0.001 0.000 0.287 360 G HA3 -0.215 3.745 3.960 0.001 0.000 0.287 360 G C 0.409 175.262 174.900 -0.078 0.000 1.036 360 G CA 0.743 45.766 45.100 -0.128 0.000 0.887 360 G HN 1.112 nan 8.290 nan 0.000 0.505 361 S N -0.710 114.942 115.700 -0.080 0.000 2.545 361 S HA 0.556 5.027 4.470 0.001 0.000 0.275 361 S C 1.697 176.272 174.600 -0.041 0.000 1.299 361 S CA 0.733 58.911 58.200 -0.036 0.000 1.048 361 S CB 0.825 64.015 63.200 -0.016 0.000 0.938 361 S HN 1.025 nan 8.310 nan 0.000 0.496 362 T N 1.501 116.041 114.554 -0.024 0.000 3.107 362 T HA 0.198 4.548 4.350 0.001 0.000 0.249 362 T C 0.328 175.023 174.700 -0.010 0.000 1.096 362 T CA -0.263 61.826 62.100 -0.019 0.000 1.012 362 T CB -0.322 68.539 68.868 -0.012 0.000 0.977 362 T HN 0.337 nan 8.240 nan 0.000 0.527 363 V N 2.469 122.378 119.914 -0.009 0.000 2.446 363 V HA 0.227 4.348 4.120 0.001 0.000 0.276 363 V C 0.561 176.657 176.094 0.002 0.000 1.030 363 V CA -0.308 61.991 62.300 -0.002 0.000 1.033 363 V CB 0.118 31.940 31.823 -0.002 0.000 0.993 363 V HN 0.389 nan 8.190 nan 0.000 0.477 364 K N 2.891 123.300 120.400 0.015 0.000 2.179 364 K HA 0.434 4.755 4.320 0.001 0.000 0.238 364 K C -0.179 176.443 176.600 0.036 0.000 1.033 364 K CA -0.455 55.853 56.287 0.036 0.000 0.926 364 K CB 0.901 33.433 32.500 0.054 0.000 1.151 364 K HN 0.708 nan 8.250 nan 0.000 0.492 365 C N 1.579 120.926 119.300 0.078 0.000 2.285 365 C HA 0.221 4.681 4.460 0.001 0.000 0.335 365 C C -0.612 174.392 174.990 0.023 0.000 1.267 365 C CA -0.648 58.377 59.018 0.011 0.000 1.762 365 C CB -0.372 27.387 27.740 0.032 0.000 2.365 365 C HN 0.599 nan 8.230 nan 0.000 0.527 366 D N 3.898 124.254 120.400 -0.074 0.000 2.365 366 D HA 0.166 4.806 4.640 0.001 0.000 0.237 366 D C 0.028 176.275 176.300 -0.088 0.000 1.190 366 D CA 0.050 54.042 54.000 -0.012 0.000 0.867 366 D CB 0.382 41.171 40.800 -0.020 0.000 1.050 366 D HN 0.700 nan 8.370 nan 0.000 0.491 367 Y N 1.125 121.427 120.300 0.003 0.000 2.490 367 Y HA 0.092 4.642 4.550 0.001 0.000 0.281 367 Y C 0.445 176.346 175.900 0.003 0.000 1.174 367 Y CA -0.213 57.889 58.100 0.003 0.000 1.295 367 Y CB 0.368 38.832 38.460 0.006 0.000 1.062 367 Y HN 0.215 nan 8.280 nan 0.000 0.522 368 D N 1.068 121.537 120.400 0.115 0.000 2.277 368 D HA 0.101 4.741 4.640 0.001 0.000 0.249 368 D C -0.014 176.310 176.300 0.039 0.000 1.134 368 D CA 0.101 54.148 54.000 0.079 0.000 0.863 368 D CB 0.303 41.145 40.800 0.070 0.000 1.143 368 D HN 0.182 nan 8.370 nan 0.000 0.458 369 N N 0.952 119.676 118.700 0.039 0.000 2.758 369 N HA -0.154 4.587 4.740 0.001 0.000 0.248 369 N C -0.635 174.865 175.510 -0.016 0.000 1.076 369 N CA 0.203 53.262 53.050 0.015 0.000 0.696 369 N CB -1.253 37.241 38.487 0.011 0.000 0.979 369 N HN 0.156 nan 8.380 nan 0.000 0.550 370 V N 2.150 122.056 119.914 -0.012 0.000 2.470 370 V HA 0.186 4.306 4.120 0.001 0.000 0.276 370 V C -1.134 174.934 176.094 -0.043 0.000 1.040 370 V CA -0.760 61.517 62.300 -0.038 0.000 1.008 370 V CB 0.916 32.718 31.823 -0.036 0.000 0.990 370 V HN 0.131 nan 8.190 nan 0.000 0.477 371 P HA 0.247 nan 4.420 nan 0.000 0.275 371 P C -0.393 176.857 177.300 -0.083 0.000 1.228 371 P CA 0.014 63.063 63.100 -0.086 0.000 0.786 371 P CB 1.245 32.879 31.700 -0.111 0.000 0.927 372 T N 0.111 114.601 114.554 -0.106 0.000 2.883 372 T HA 0.572 4.922 4.350 0.001 0.000 0.296 372 T C -1.309 173.233 174.700 -0.264 0.000 1.117 372 T CA -0.308 61.711 62.100 -0.135 0.000 1.006 372 T CB 1.149 69.989 68.868 -0.047 0.000 1.191 372 T HN 0.343 nan 8.240 nan 0.000 0.508 373 T N 2.217 116.545 114.554 -0.375 0.000 3.011 373 T HA 0.472 4.823 4.350 0.001 0.000 0.303 373 T C -0.783 173.417 174.700 -0.833 0.000 0.997 373 T CA -0.455 61.255 62.100 -0.650 0.000 1.007 373 T CB 1.353 69.755 68.868 -0.778 0.000 1.017 373 T HN 0.512 nan 8.240 nan 0.000 0.443 374 V N 4.007 123.506 119.914 -0.691 0.000 2.461 374 V HA 0.309 4.429 4.120 0.001 0.000 0.275 374 V C -0.128 175.705 176.094 -0.435 0.000 1.047 374 V CA -0.255 61.775 62.300 -0.450 0.000 0.955 374 V CB 0.281 31.901 31.823 -0.338 0.000 0.988 374 V HN 0.900 nan 8.190 nan 0.000 0.471 375 F N 2.843 122.743 119.950 -0.082 0.000 2.980 375 F HA 0.163 4.690 4.527 0.001 0.000 0.299 375 F C 1.548 177.187 175.800 -0.268 0.000 1.211 375 F CA -0.582 57.289 58.000 -0.214 0.000 1.328 375 F CB -0.202 38.610 39.000 -0.314 0.000 1.154 375 F HN 0.564 nan 8.300 nan 0.000 0.528 376 T N -1.898 112.677 114.554 0.035 0.000 2.855 376 T HA -0.001 4.350 4.350 0.001 0.000 0.314 376 T C -1.482 173.313 174.700 0.158 0.000 1.077 376 T CA -1.240 60.921 62.100 0.102 0.000 1.095 376 T CB 0.609 69.554 68.868 0.128 0.000 0.987 376 T HN -0.017 nan 8.240 nan 0.000 0.546 377 P HA -0.116 nan 4.420 nan 0.000 0.216 377 P C 0.505 177.970 177.300 0.275 0.000 1.167 377 P CA 0.738 64.035 63.100 0.329 0.000 0.933 377 P CB -0.083 31.799 31.700 0.303 0.000 0.793 378 L N 0.609 121.899 121.223 0.111 0.000 2.325 378 L HA 0.111 4.452 4.340 0.001 0.000 0.284 378 L C 0.258 177.176 176.870 0.079 0.000 1.089 378 L CA -0.109 54.688 54.840 -0.072 0.000 0.836 378 L CB -0.503 41.167 42.059 -0.648 0.000 1.184 378 L HN -0.027 nan 8.230 nan 0.000 0.444 379 E N 3.815 124.118 120.200 0.172 0.000 2.398 379 E HA 0.021 4.372 4.350 0.001 0.000 0.263 379 E C -1.344 175.352 176.600 0.161 0.000 1.046 379 E CA 0.106 56.596 56.400 0.149 0.000 0.908 379 E CB 0.675 30.500 29.700 0.208 0.000 0.963 379 E HN 0.456 nan 8.360 nan 0.000 0.431 380 Y N 1.152 121.398 120.300 -0.091 0.000 2.332 380 Y HA 0.488 5.038 4.550 0.001 0.000 0.326 380 Y C -0.408 175.417 175.900 -0.124 0.000 0.978 380 Y CA -1.084 56.977 58.100 -0.065 0.000 1.205 380 Y CB 1.129 39.542 38.460 -0.077 0.000 1.131 380 Y HN 0.492 nan 8.280 nan 0.000 0.462 381 G N 3.367 112.113 108.800 -0.090 0.000 2.432 381 G HA2 0.663 4.623 3.960 0.001 0.000 0.331 381 G HA3 0.663 4.623 3.960 0.001 0.000 0.331 381 G C -1.278 173.520 174.900 -0.169 0.000 1.170 381 G CA -0.364 44.594 45.100 -0.236 0.000 0.943 381 G HN 1.276 nan 8.290 nan 0.000 0.483 382 C N -1.274 117.904 119.300 -0.203 0.000 3.302 382 C HA 0.792 5.252 4.460 0.001 0.000 0.347 382 C C -0.849 174.080 174.990 -0.101 0.000 1.218 382 C CA -1.388 57.559 59.018 -0.118 0.000 1.234 382 C CB 0.940 28.528 27.740 -0.254 0.000 1.551 382 C HN 1.397 nan 8.230 nan 0.000 0.501 383 C N 2.918 122.173 119.300 -0.075 0.000 2.931 383 C HA 0.918 5.379 4.460 0.001 0.000 0.370 383 C C 0.614 175.593 174.990 -0.018 0.000 1.071 383 C CA 1.882 60.862 59.018 -0.064 0.000 1.266 383 C CB 0.762 28.424 27.740 -0.130 0.000 1.691 383 C HN 3.253 nan 8.230 nan 0.000 0.511 384 G N 4.307 113.116 108.800 0.015 0.000 2.451 384 G HA2 -0.004 3.956 3.960 0.001 0.000 0.208 384 G HA3 -0.004 3.956 3.960 0.001 0.000 0.208 384 G C -1.245 173.724 174.900 0.116 0.000 1.248 384 G CA -0.266 44.876 45.100 0.070 0.000 0.989 384 G HN 1.117 nan 8.290 nan 0.000 0.559 385 L N 1.359 122.686 121.223 0.173 0.000 2.357 385 L HA 0.579 4.919 4.340 0.001 0.000 0.273 385 L C 1.549 178.608 176.870 0.315 0.000 1.080 385 L CA -0.081 54.885 54.840 0.210 0.000 0.803 385 L CB 1.631 43.821 42.059 0.217 0.000 1.174 385 L HN 0.993 nan 8.230 nan 0.000 0.443 386 S N 0.122 115.998 115.700 0.293 0.000 2.608 386 S HA 0.089 4.560 4.470 0.001 0.000 0.261 386 S C 0.833 175.533 174.600 0.166 0.000 1.314 386 S CA -0.439 57.938 58.200 0.294 0.000 0.992 386 S CB 1.130 64.469 63.200 0.232 0.000 0.935 386 S HN 0.749 nan 8.310 nan 0.000 0.564 387 E N 0.939 121.172 120.200 0.056 0.000 2.031 387 E HA -0.206 4.145 4.350 0.001 0.000 0.193 387 E C 2.161 178.793 176.600 0.053 0.000 0.994 387 E CA 1.506 57.926 56.400 0.033 0.000 0.800 387 E CB -0.198 29.482 29.700 -0.033 0.000 0.752 387 E HN 0.851 nan 8.360 nan 0.000 0.447 388 E N 1.007 121.234 120.200 0.045 0.000 2.085 388 E HA -0.248 4.102 4.350 0.001 0.000 0.194 388 E C 1.819 178.458 176.600 0.065 0.000 0.994 388 E CA 1.200 57.627 56.400 0.045 0.000 0.801 388 E CB -0.401 29.321 29.700 0.036 0.000 0.743 388 E HN 0.172 nan 8.360 nan 0.000 0.453 389 K N 0.403 120.854 120.400 0.085 0.000 2.288 389 K HA 0.077 4.397 4.320 0.001 0.000 0.201 389 K C 2.096 178.775 176.600 0.132 0.000 1.048 389 K CA 0.831 57.173 56.287 0.091 0.000 0.956 389 K CB 0.017 32.574 32.500 0.094 0.000 0.746 389 K HN 0.216 nan 8.250 nan 0.000 0.461 390 A N 0.687 123.610 122.820 0.171 0.000 1.935 390 A HA -0.033 4.287 4.320 0.001 0.000 0.214 390 A C 2.243 179.972 177.584 0.242 0.000 1.178 390 A CA 0.600 52.798 52.037 0.270 0.000 0.640 390 A CB -0.280 18.855 19.000 0.224 0.000 0.825 390 A HN 0.010 nan 8.150 nan 0.000 0.447 391 V N 0.253 120.250 119.914 0.138 0.000 2.220 391 V HA -0.322 3.798 4.120 0.001 0.000 0.246 391 V C 2.544 178.689 176.094 0.085 0.000 1.049 391 V CA 2.530 64.890 62.300 0.099 0.000 1.003 391 V CB -0.700 31.156 31.823 0.056 0.000 0.634 391 V HN 0.795 nan 8.190 nan 0.000 0.444 392 E N 0.192 120.428 120.200 0.059 0.000 2.035 392 E HA -0.348 4.002 4.350 0.001 0.000 0.204 392 E C 2.340 178.936 176.600 -0.006 0.000 1.025 392 E CA 2.325 58.740 56.400 0.025 0.000 0.835 392 E CB -0.256 29.454 29.700 0.017 0.000 0.764 392 E HN 0.530 nan 8.360 nan 0.000 0.457 393 K N -0.961 119.427 120.400 -0.019 0.000 2.057 393 K HA -0.144 4.177 4.320 0.001 0.000 0.207 393 K C 1.447 177.843 176.600 -0.339 0.000 1.049 393 K CA 1.652 57.818 56.287 -0.201 0.000 0.931 393 K CB -0.084 32.254 32.500 -0.271 0.000 0.714 393 K HN 0.171 nan 8.250 nan 0.000 0.440 394 F N -0.220 119.745 119.950 0.025 0.000 2.682 394 F HA 0.305 4.832 4.527 0.001 0.000 0.308 394 F C 0.261 176.072 175.800 0.018 0.000 1.093 394 F CA 0.224 58.239 58.000 0.024 0.000 1.244 394 F CB 1.643 40.662 39.000 0.031 0.000 1.052 394 F HN 0.171 nan 8.300 nan 0.000 0.573 395 G N 1.543 110.430 108.800 0.145 0.000 3.402 395 G HA2 -0.185 3.776 3.960 0.001 0.000 0.686 395 G HA3 -0.185 3.776 3.960 0.001 0.000 0.686 395 G C 0.456 175.407 174.900 0.084 0.000 0.983 395 G CA -0.229 44.926 45.100 0.092 0.000 0.821 395 G HN 0.096 nan 8.290 nan 0.000 0.500 396 E N 0.846 121.078 120.200 0.054 0.000 2.154 396 E HA -0.284 4.066 4.350 0.001 0.000 0.240 396 E C 2.095 178.712 176.600 0.028 0.000 1.059 396 E CA 2.023 58.444 56.400 0.035 0.000 0.954 396 E CB -0.016 29.695 29.700 0.019 0.000 0.842 396 E HN 0.866 nan 8.360 nan 0.000 0.508 397 E N 0.541 120.753 120.200 0.021 0.000 2.485 397 E HA -0.097 4.253 4.350 0.001 0.000 0.194 397 E C 0.688 177.298 176.600 0.016 0.000 1.098 397 E CA 0.285 56.691 56.400 0.009 0.000 0.878 397 E CB -0.296 29.405 29.700 0.002 0.000 0.939 397 E HN 0.138 nan 8.360 nan 0.000 0.503 398 N N 0.466 119.189 118.700 0.038 0.000 2.353 398 N HA 0.075 4.815 4.740 0.001 0.000 0.185 398 N C -0.016 175.509 175.510 0.025 0.000 1.098 398 N CA 0.108 53.184 53.050 0.043 0.000 0.872 398 N CB 0.411 38.949 38.487 0.085 0.000 0.970 398 N HN 0.199 nan 8.380 nan 0.000 0.467 399 I N 1.138 121.721 120.570 0.023 0.000 2.353 399 I HA 0.229 4.399 4.170 0.001 0.000 0.293 399 I C 0.274 176.376 176.117 -0.025 0.000 0.992 399 I CA -0.611 60.692 61.300 0.005 0.000 1.268 399 I CB 1.251 39.267 38.000 0.028 0.000 1.387 399 I HN -0.101 nan 8.210 nan 0.000 0.478 400 E N 5.061 125.244 120.200 -0.029 0.000 2.187 400 E HA 0.552 4.902 4.350 0.001 0.000 0.268 400 E C -1.511 175.043 176.600 -0.077 0.000 0.896 400 E CA -0.497 55.848 56.400 -0.092 0.000 0.766 400 E CB 1.806 31.452 29.700 -0.090 0.000 1.142 400 E HN 0.282 nan 8.360 nan 0.000 0.408 401 V N 5.648 125.449 119.914 -0.189 0.000 2.376 401 V HA 0.329 4.450 4.120 0.001 0.000 0.287 401 V C -1.088 174.867 176.094 -0.233 0.000 1.015 401 V CA -0.727 61.495 62.300 -0.131 0.000 0.834 401 V CB 0.442 32.163 31.823 -0.170 0.000 1.001 401 V HN 0.617 nan 8.190 nan 0.000 0.428 402 Y N 4.863 125.123 120.300 -0.065 0.000 2.313 402 Y HA 0.640 5.190 4.550 0.001 0.000 0.332 402 Y C 0.626 176.503 175.900 -0.038 0.000 1.071 402 Y CA -0.391 57.684 58.100 -0.041 0.000 1.169 402 Y CB 0.849 39.289 38.460 -0.033 0.000 1.192 402 Y HN 0.845 nan 8.280 nan 0.000 0.487 403 H N -0.915 118.088 119.070 -0.112 0.000 3.017 403 H HA 0.832 5.388 4.556 0.001 0.000 0.346 403 H C -1.413 173.675 175.328 -0.399 0.000 1.286 403 H CA -1.136 54.701 56.048 -0.351 0.000 1.120 403 H CB 2.193 31.757 29.762 -0.330 0.000 1.860 403 H HN 0.534 nan 8.280 nan 0.000 0.542 404 S N 1.524 116.747 115.700 -0.795 0.000 2.580 404 S HA 0.344 4.814 4.470 0.001 0.000 0.281 404 S C -1.811 172.439 174.600 -0.583 0.000 1.129 404 S CA -0.857 56.976 58.200 -0.612 0.000 0.862 404 S CB 0.731 63.753 63.200 -0.297 0.000 1.090 404 S HN 0.490 nan 8.310 nan 0.000 0.451 405 F N 3.311 123.165 119.950 -0.160 0.000 2.380 405 F HA 0.714 5.242 4.527 0.001 0.000 0.325 405 F C 0.362 176.199 175.800 0.062 0.000 1.136 405 F CA -0.157 57.809 58.000 -0.055 0.000 1.171 405 F CB 0.977 39.951 39.000 -0.044 0.000 1.230 405 F HN 0.636 nan 8.300 nan 0.000 0.554 406 F N -0.458 119.591 119.950 0.166 0.000 2.686 406 F HA 0.557 5.085 4.527 0.001 0.000 0.311 406 F C -2.064 173.831 175.800 0.160 0.000 1.128 406 F CA -1.597 56.461 58.000 0.097 0.000 0.946 406 F CB 1.101 40.093 39.000 -0.015 0.000 1.336 406 F HN 0.372 nan 8.300 nan 0.000 0.457 407 W N 4.051 125.419 121.300 0.112 0.000 2.463 407 W HA 0.658 5.319 4.660 0.001 0.000 0.316 407 W C -2.991 173.476 176.519 -0.087 0.000 1.004 407 W CA -3.368 53.951 57.345 -0.044 0.000 1.309 407 W CB 1.341 30.822 29.460 0.036 0.000 1.288 407 W HN 0.340 nan 8.180 nan 0.000 0.423 408 P HA -0.092 nan 4.420 nan 0.000 0.263 408 P C 1.099 178.132 177.300 -0.445 0.000 1.195 408 P CA 0.021 62.861 63.100 -0.433 0.000 0.762 408 P CB 0.726 31.835 31.700 -0.985 0.000 0.799 409 L N 4.508 125.560 121.223 -0.285 0.000 2.089 409 L HA -0.250 4.090 4.340 0.001 0.000 0.213 409 L C 1.688 178.462 176.870 -0.159 0.000 1.079 409 L CA 2.021 56.705 54.840 -0.260 0.000 0.758 409 L CB -0.955 41.007 42.059 -0.163 0.000 0.891 409 L HN 0.324 nan 8.230 nan 0.000 0.433 410 E N -1.474 118.699 120.200 -0.045 0.000 2.393 410 E HA -0.240 4.111 4.350 0.001 0.000 0.201 410 E C 1.334 178.220 176.600 0.477 0.000 1.025 410 E CA 1.339 57.865 56.400 0.210 0.000 0.856 410 E CB -0.236 29.592 29.700 0.213 0.000 0.771 410 E HN 0.626 nan 8.360 nan 0.000 0.526 411 W N -0.901 120.356 121.300 -0.072 0.000 3.058 411 W HA 0.178 4.839 4.660 0.001 0.000 0.306 411 W C 2.042 178.474 176.519 -0.145 0.000 1.188 411 W CA 0.646 57.993 57.345 0.002 0.000 1.651 411 W CB -0.908 28.648 29.460 0.159 0.000 1.051 411 W HN 0.107 nan 8.180 nan 0.000 0.592 412 T N -2.012 112.342 114.554 -0.333 0.000 2.708 412 T HA -0.176 4.175 4.350 0.001 0.000 0.266 412 T C 1.851 176.476 174.700 -0.125 0.000 1.037 412 T CA 1.774 63.536 62.100 -0.563 0.000 1.146 412 T CB -0.865 67.559 68.868 -0.740 0.000 0.865 412 T HN -0.114 nan 8.240 nan 0.000 0.435 413 V N 3.000 122.832 119.914 -0.136 0.000 2.307 413 V HA -0.020 4.100 4.120 0.001 0.000 0.245 413 V C -0.263 175.767 176.094 -0.108 0.000 1.045 413 V CA 1.681 63.840 62.300 -0.235 0.000 1.024 413 V CB -1.325 30.087 31.823 -0.685 0.000 0.651 413 V HN 0.433 nan 8.190 nan 0.000 0.449 414 P HA -0.043 nan 4.420 nan 0.000 0.230 414 P C 0.667 178.050 177.300 0.137 0.000 1.158 414 P CA 1.055 64.225 63.100 0.115 0.000 0.769 414 P CB -0.079 31.732 31.700 0.185 0.000 0.807 415 S N -0.139 115.678 115.700 0.196 0.000 3.667 415 S HA -0.185 4.285 4.470 0.001 0.000 0.405 415 S C 0.012 174.792 174.600 0.300 0.000 0.913 415 S CA 0.455 58.830 58.200 0.291 0.000 1.288 415 S CB -1.587 61.719 63.200 0.177 0.000 0.905 415 S HN 0.505 nan 8.310 nan 0.000 0.550 416 R N 0.345 121.098 120.500 0.422 0.000 2.707 416 R HA 0.672 5.012 4.340 0.001 0.000 0.272 416 R C -0.650 175.906 176.300 0.426 0.000 1.011 416 R CA -0.460 55.810 56.100 0.283 0.000 0.893 416 R CB 0.510 30.883 30.300 0.121 0.000 1.233 416 R HN 0.057 nan 8.270 nan 0.000 0.464 417 D N 0.226 120.762 120.400 0.227 0.000 2.723 417 D HA -0.186 4.455 4.640 0.001 0.000 0.236 417 D C -0.694 175.741 176.300 0.225 0.000 1.138 417 D CA 1.115 55.278 54.000 0.272 0.000 0.676 417 D CB -0.805 40.149 40.800 0.257 0.000 1.069 417 D HN 0.674 nan 8.370 nan 0.000 0.430 418 N N 1.287 119.771 118.700 -0.359 0.000 2.441 418 N HA 0.001 4.741 4.740 0.001 0.000 0.251 418 N C 0.462 175.678 175.510 -0.491 0.000 1.242 418 N CA 0.315 52.715 53.050 -1.083 0.000 0.898 418 N CB 0.321 37.886 38.487 -1.537 0.000 1.100 418 N HN 0.056 nan 8.380 nan 0.000 0.443 419 N N 0.662 119.113 118.700 -0.416 0.000 2.727 419 N HA -0.177 4.563 4.740 0.001 0.000 0.249 419 N C -0.336 174.937 175.510 -0.396 0.000 1.048 419 N CA 0.573 53.371 53.050 -0.420 0.000 0.714 419 N CB -0.353 37.800 38.487 -0.558 0.000 0.959 419 N HN 0.654 nan 8.380 nan 0.000 0.544 420 K N -1.283 119.051 120.400 -0.110 0.000 2.344 420 K HA 0.222 4.542 4.320 0.001 0.000 0.200 420 K C 0.662 177.302 176.600 0.067 0.000 1.132 420 K CA 0.299 56.603 56.287 0.028 0.000 0.935 420 K CB 0.187 32.806 32.500 0.199 0.000 1.089 420 K HN 0.222 nan 8.250 nan 0.000 0.496 421 C N 2.229 121.453 119.300 -0.126 0.000 2.644 421 C HA 0.303 4.763 4.460 0.001 0.000 0.417 421 C C 0.130 174.868 174.990 -0.420 0.000 1.304 421 C CA -0.457 58.253 59.018 -0.514 0.000 2.035 421 C CB -1.312 25.618 27.740 -1.350 0.000 2.673 421 C HN 0.401 nan 8.230 nan 0.000 0.602 422 Y N 1.274 121.355 120.300 -0.366 0.000 2.441 422 Y HA 0.603 5.153 4.550 0.001 0.000 0.334 422 Y C -0.430 175.470 175.900 0.000 0.000 1.061 422 Y CA -0.373 57.613 58.100 -0.190 0.000 1.032 422 Y CB 0.867 39.180 38.460 -0.246 0.000 1.266 422 Y HN 0.846 nan 8.280 nan 0.000 0.441 423 A N 5.635 128.133 122.820 -0.537 0.000 2.374 423 A HA 0.884 5.205 4.320 0.001 0.000 0.317 423 A C -1.588 175.493 177.584 -0.840 0.000 1.094 423 A CA -0.854 50.835 52.037 -0.580 0.000 0.765 423 A CB 1.423 19.816 19.000 -1.012 0.000 1.268 423 A HN 0.749 nan 8.150 nan 0.000 0.438 424 K N -0.235 119.908 120.400 -0.428 0.000 2.542 424 K HA 0.676 4.997 4.320 0.001 0.000 0.259 424 K C -1.162 175.455 176.600 0.029 0.000 0.932 424 K CA -0.766 55.400 56.287 -0.202 0.000 0.820 424 K CB 1.754 34.228 32.500 -0.043 0.000 1.345 424 K HN 0.950 nan 8.250 nan 0.000 0.432 425 V N -0.018 119.946 119.914 0.084 0.000 2.667 425 V HA 0.668 4.789 4.120 0.001 0.000 0.308 425 V C -0.407 175.800 176.094 0.188 0.000 1.048 425 V CA -0.898 61.508 62.300 0.177 0.000 0.928 425 V CB 1.208 33.143 31.823 0.186 0.000 1.004 425 V HN 0.815 nan 8.190 nan 0.000 0.444 426 I N 3.152 123.839 120.570 0.195 0.000 2.362 426 I HA 0.520 4.690 4.170 0.001 0.000 0.289 426 I C -0.439 175.743 176.117 0.109 0.000 0.994 426 I CA -0.009 61.379 61.300 0.146 0.000 1.158 426 I CB 1.403 39.498 38.000 0.158 0.000 1.315 426 I HN 0.680 nan 8.210 nan 0.000 0.451 427 C N 4.704 124.060 119.300 0.094 0.000 2.456 427 C HA 0.336 4.796 4.460 0.001 0.000 0.325 427 C C 0.321 175.291 174.990 -0.034 0.000 1.217 427 C CA -0.856 58.194 59.018 0.054 0.000 1.687 427 C CB 1.297 29.130 27.740 0.155 0.000 2.270 427 C HN 0.730 nan 8.230 nan 0.000 0.499 428 N N 2.053 120.677 118.700 -0.127 0.000 2.485 428 N HA 0.272 5.013 4.740 0.001 0.000 0.243 428 N C 0.734 176.180 175.510 -0.106 0.000 0.987 428 N CA -0.483 52.430 53.050 -0.228 0.000 0.940 428 N CB 0.586 38.756 38.487 -0.527 0.000 1.122 428 N HN 0.632 nan 8.380 nan 0.000 0.509 429 L N 2.980 124.175 121.223 -0.046 0.000 2.083 429 L HA -0.104 4.237 4.340 0.001 0.000 0.209 429 L C 1.871 178.739 176.870 -0.003 0.000 1.083 429 L CA 0.894 55.731 54.840 -0.005 0.000 0.752 429 L CB -0.160 41.904 42.059 0.008 0.000 0.899 429 L HN 0.470 nan 8.230 nan 0.000 0.433 430 K N -0.186 120.214 120.400 -0.001 0.000 2.665 430 K HA -0.072 4.248 4.320 0.001 0.000 0.196 430 K C 0.250 176.857 176.600 0.012 0.000 1.021 430 K CA 0.639 56.941 56.287 0.024 0.000 1.066 430 K CB -0.339 32.204 32.500 0.072 0.000 0.849 430 K HN 0.186 nan 8.250 nan 0.000 0.500 431 D N -0.161 120.228 120.400 -0.019 0.000 2.704 431 D HA 0.050 4.690 4.640 0.001 0.000 0.291 431 D C -0.666 175.623 176.300 -0.019 0.000 1.610 431 D CA -0.094 53.892 54.000 -0.023 0.000 0.807 431 D CB 0.000 40.755 40.800 -0.076 0.000 1.233 431 D HN -0.059 nan 8.370 nan 0.000 0.445 432 N N 1.569 120.265 118.700 -0.006 0.000 2.818 432 N HA -0.192 4.548 4.740 0.001 0.000 0.250 432 N C -0.852 174.657 175.510 -0.001 0.000 1.108 432 N CA 1.156 54.207 53.050 0.000 0.000 0.745 432 N CB -1.127 37.360 38.487 0.000 0.000 1.104 432 N HN 0.536 nan 8.380 nan 0.000 0.557 433 E N -1.324 118.874 120.200 -0.003 0.000 2.230 433 E HA -0.277 4.073 4.350 0.001 0.000 0.206 433 E C 0.094 176.688 176.600 -0.010 0.000 1.309 433 E CA 0.586 56.992 56.400 0.009 0.000 0.697 433 E CB -0.694 29.038 29.700 0.054 0.000 1.146 433 E HN 0.339 nan 8.360 nan 0.000 0.363 434 R N 0.398 120.872 120.500 -0.043 0.000 2.538 434 R HA 0.067 4.407 4.340 0.001 0.000 0.282 434 R C -0.334 175.952 176.300 -0.024 0.000 1.009 434 R CA 0.177 56.252 56.100 -0.040 0.000 1.063 434 R CB 0.685 30.940 30.300 -0.076 0.000 0.945 434 R HN 0.097 nan 8.270 nan 0.000 0.414 435 V N 7.567 127.493 119.914 0.021 0.000 2.326 435 V HA 0.001 4.122 4.120 0.001 0.000 0.249 435 V C 1.031 177.162 176.094 0.063 0.000 1.114 435 V CA 0.225 62.565 62.300 0.068 0.000 1.028 435 V CB 0.469 32.363 31.823 0.118 0.000 1.170 435 V HN 0.781 nan 8.190 nan 0.000 0.494 436 V N 1.793 121.730 119.914 0.038 0.000 3.649 436 V HA 0.587 4.708 4.120 0.001 0.000 0.275 436 V C 0.811 176.980 176.094 0.124 0.000 1.281 436 V CA 0.616 62.946 62.300 0.050 0.000 1.143 436 V CB -0.094 31.710 31.823 -0.032 0.000 0.892 436 V HN 0.696 nan 8.190 nan 0.000 0.441 437 G N -0.251 108.649 108.800 0.166 0.000 2.753 437 G HA2 0.609 4.569 3.960 0.001 0.000 0.297 437 G HA3 0.609 4.569 3.960 0.001 0.000 0.297 437 G C -1.947 173.131 174.900 0.296 0.000 1.430 437 G CA -0.563 44.686 45.100 0.249 0.000 1.040 437 G HN 0.228 nan 8.290 nan 0.000 0.530 438 F N 2.090 122.026 119.950 -0.022 0.000 2.573 438 F HA 0.725 5.252 4.527 0.001 0.000 0.316 438 F C -1.287 174.347 175.800 -0.277 0.000 1.148 438 F CA -0.649 57.314 58.000 -0.062 0.000 0.940 438 F CB 1.993 40.879 39.000 -0.191 0.000 1.214 438 F HN 0.586 nan 8.300 nan 0.000 0.448 439 H N 3.700 122.624 119.070 -0.243 0.000 2.954 439 H HA 0.691 5.248 4.556 0.001 0.000 0.361 439 H C -1.562 173.815 175.328 0.083 0.000 1.122 439 H CA -0.946 55.170 56.048 0.114 0.000 1.217 439 H CB 2.227 32.155 29.762 0.276 0.000 1.776 439 H HN 0.540 nan 8.280 nan 0.000 0.533 440 V N 3.915 124.070 119.914 0.402 0.000 2.711 440 V HA 0.467 4.587 4.120 0.001 0.000 0.304 440 V C -1.809 174.555 176.094 0.449 0.000 1.097 440 V CA -0.711 61.833 62.300 0.407 0.000 0.906 440 V CB 1.704 33.783 31.823 0.427 0.000 1.015 440 V HN 0.616 nan 8.190 nan 0.000 0.427 441 L N 7.432 128.860 121.223 0.341 0.000 2.295 441 L HA 1.049 5.389 4.340 0.001 0.000 0.281 441 L C 0.068 177.029 176.870 0.153 0.000 1.018 441 L CA 1.059 56.031 54.840 0.220 0.000 0.841 441 L CB 0.819 42.925 42.059 0.078 0.000 1.218 441 L HN 1.029 nan 8.230 nan 0.000 0.424 442 G N 4.331 113.252 108.800 0.201 0.000 2.342 442 G HA2 0.401 4.361 3.960 0.001 0.000 0.297 442 G HA3 0.401 4.361 3.960 0.001 0.000 0.297 442 G C -3.406 171.638 174.900 0.241 0.000 1.313 442 G CA -0.715 44.495 45.100 0.185 0.000 0.830 442 G HN 0.357 nan 8.290 nan 0.000 0.506 443 P HA 0.190 nan 4.420 nan 0.000 0.274 443 P C -0.213 177.225 177.300 0.230 0.000 1.231 443 P CA -0.031 63.234 63.100 0.274 0.000 0.790 443 P CB 0.447 32.320 31.700 0.288 0.000 0.951 444 N N -0.354 118.486 118.700 0.234 0.000 2.721 444 N HA -0.243 4.498 4.740 0.001 0.000 0.249 444 N C 1.154 176.782 175.510 0.196 0.000 1.072 444 N CA 1.002 54.175 53.050 0.204 0.000 0.710 444 N CB -1.778 36.797 38.487 0.147 0.000 0.993 444 N HN 0.596 nan 8.380 nan 0.000 0.547 445 A N 0.125 123.068 122.820 0.205 0.000 1.958 445 A HA -0.091 4.230 4.320 0.001 0.000 0.221 445 A C 2.328 179.981 177.584 0.116 0.000 1.178 445 A CA 2.348 54.487 52.037 0.169 0.000 0.642 445 A CB -0.865 18.212 19.000 0.128 0.000 0.816 445 A HN 0.555 nan 8.150 nan 0.000 0.453 446 G N -0.488 108.380 108.800 0.114 0.000 2.402 446 G HA2 -0.165 3.795 3.960 0.001 0.000 0.216 446 G HA3 -0.165 3.795 3.960 0.001 0.000 0.216 446 G C 1.361 176.312 174.900 0.086 0.000 1.162 446 G CA 0.901 46.055 45.100 0.089 0.000 0.777 446 G HN 0.563 nan 8.290 nan 0.000 0.539 447 E N 0.638 120.903 120.200 0.108 0.000 2.106 447 E HA -0.074 4.277 4.350 0.001 0.000 0.192 447 E C 2.821 179.465 176.600 0.072 0.000 0.984 447 E CA 0.729 57.173 56.400 0.073 0.000 0.806 447 E CB -0.601 29.142 29.700 0.072 0.000 0.750 447 E HN 0.335 nan 8.360 nan 0.000 0.458 448 V N 1.706 121.692 119.914 0.120 0.000 2.295 448 V HA -0.234 3.887 4.120 0.001 0.000 0.246 448 V C 2.412 178.619 176.094 0.188 0.000 1.049 448 V CA 2.246 64.655 62.300 0.181 0.000 1.024 448 V CB -0.919 31.041 31.823 0.228 0.000 0.648 448 V HN 0.282 nan 8.190 nan 0.000 0.447 449 T N -0.933 113.680 114.554 0.099 0.000 2.737 449 T HA -0.251 4.099 4.350 0.001 0.000 0.265 449 T C 1.879 176.489 174.700 -0.152 0.000 1.038 449 T CA 1.696 63.754 62.100 -0.070 0.000 1.144 449 T CB -0.274 68.569 68.868 -0.042 0.000 0.866 449 T HN 0.413 nan 8.240 nan 0.000 0.434 450 Q N 1.301 121.048 119.800 -0.088 0.000 2.028 450 Q HA -0.158 4.183 4.340 0.001 0.000 0.213 450 Q C 2.428 178.327 176.000 -0.169 0.000 1.017 450 Q CA 2.520 58.255 55.803 -0.113 0.000 0.875 450 Q CB -1.235 27.461 28.738 -0.071 0.000 0.962 450 Q HN 0.516 nan 8.270 nan 0.000 0.413 451 G N -1.194 107.490 108.800 -0.193 0.000 2.469 451 G HA2 -0.270 3.690 3.960 0.001 0.000 0.219 451 G HA3 -0.270 3.690 3.960 0.001 0.000 0.219 451 G C 1.163 175.805 174.900 -0.430 0.000 1.150 451 G CA 1.035 45.949 45.100 -0.311 0.000 0.763 451 G HN 0.422 nan 8.290 nan 0.000 0.561 452 F N 1.670 121.360 119.950 -0.433 0.000 2.234 452 F HA 0.104 4.631 4.527 0.001 0.000 0.299 452 F C 2.992 178.486 175.800 -0.510 0.000 1.087 452 F CA 0.719 58.364 58.000 -0.591 0.000 1.340 452 F CB -0.282 37.975 39.000 -1.238 0.000 1.031 452 F HN 0.245 nan 8.300 nan 0.000 0.500 453 A N 0.268 122.909 122.820 -0.298 0.000 1.877 453 A HA -0.128 4.192 4.320 0.001 0.000 0.216 453 A C 2.458 179.949 177.584 -0.155 0.000 1.186 453 A CA 1.860 53.769 52.037 -0.214 0.000 0.620 453 A CB -1.335 17.555 19.000 -0.182 0.000 0.822 453 A HN 0.303 nan 8.150 nan 0.000 0.443 454 A N -0.212 122.510 122.820 -0.163 0.000 1.940 454 A HA 0.113 4.434 4.320 0.001 0.000 0.219 454 A C 2.477 179.984 177.584 -0.129 0.000 1.176 454 A CA 2.208 54.164 52.037 -0.136 0.000 0.631 454 A CB -0.976 17.937 19.000 -0.145 0.000 0.814 454 A HN 1.123 nan 8.150 nan 0.000 0.446 455 A N -1.015 121.706 122.820 -0.164 0.000 1.969 455 A HA 0.060 4.380 4.320 0.001 0.000 0.218 455 A C 2.025 179.569 177.584 -0.065 0.000 1.169 455 A CA 1.542 53.504 52.037 -0.126 0.000 0.635 455 A CB -0.432 18.471 19.000 -0.162 0.000 0.810 455 A HN 0.400 nan 8.150 nan 0.000 0.445 456 L N -0.142 121.041 121.223 -0.066 0.000 2.027 456 L HA -0.094 4.246 4.340 0.001 0.000 0.206 456 L C 2.304 179.157 176.870 -0.028 0.000 1.074 456 L CA 1.604 56.425 54.840 -0.032 0.000 0.745 456 L CB -0.381 41.657 42.059 -0.036 0.000 0.898 456 L HN 0.204 nan 8.230 nan 0.000 0.433 457 K N -0.981 119.393 120.400 -0.044 0.000 2.286 457 K HA -0.147 4.173 4.320 0.001 0.000 0.203 457 K C 1.637 178.220 176.600 -0.028 0.000 1.045 457 K CA 1.185 57.452 56.287 -0.033 0.000 0.935 457 K CB -0.542 31.931 32.500 -0.045 0.000 0.737 457 K HN 0.396 nan 8.250 nan 0.000 0.460 458 C N 0.529 119.808 119.300 -0.035 0.000 2.625 458 C HA 0.211 4.671 4.460 0.001 0.000 0.285 458 C C 1.084 176.064 174.990 -0.017 0.000 1.279 458 C CA -0.129 58.872 59.018 -0.029 0.000 1.698 458 C CB -1.028 26.688 27.740 -0.041 0.000 1.821 458 C HN 0.632 nan 8.230 nan 0.000 0.600 459 G N 1.788 110.583 108.800 -0.009 0.000 2.333 459 G HA2 -0.257 3.704 3.960 0.001 0.000 0.296 459 G HA3 -0.257 3.704 3.960 0.001 0.000 0.296 459 G C -0.101 174.799 174.900 0.001 0.000 1.059 459 G CA 0.284 45.385 45.100 0.000 0.000 1.050 459 G HN 0.659 nan 8.290 nan 0.000 0.508 460 L N 1.595 122.821 121.223 0.004 0.000 2.499 460 L HA 0.586 4.926 4.340 0.001 0.000 0.273 460 L C 1.082 177.962 176.870 0.018 0.000 1.195 460 L CA 0.837 55.685 54.840 0.013 0.000 0.882 460 L CB 0.624 42.703 42.059 0.034 0.000 1.133 460 L HN 0.615 nan 8.230 nan 0.000 0.483 461 T N 0.997 115.557 114.554 0.010 0.000 2.929 461 T HA 0.322 4.673 4.350 0.001 0.000 0.284 461 T C 0.826 175.522 174.700 -0.006 0.000 1.014 461 T CA -0.408 61.693 62.100 0.002 0.000 1.051 461 T CB 1.541 70.407 68.868 -0.004 0.000 1.028 461 T HN 0.730 nan 8.240 nan 0.000 0.485 462 K N 1.167 121.548 120.400 -0.030 0.000 2.152 462 K HA -0.216 4.104 4.320 0.001 0.000 0.206 462 K C 2.282 178.825 176.600 -0.096 0.000 1.048 462 K CA 2.253 58.480 56.287 -0.100 0.000 0.933 462 K CB -0.398 31.977 32.500 -0.208 0.000 0.721 462 K HN 0.858 nan 8.250 nan 0.000 0.447 463 Q N -0.385 119.383 119.800 -0.054 0.000 2.245 463 Q HA -0.118 4.222 4.340 0.001 0.000 0.201 463 Q C 1.802 177.789 176.000 -0.022 0.000 0.955 463 Q CA 0.981 56.761 55.803 -0.038 0.000 0.870 463 Q CB -0.093 28.634 28.738 -0.019 0.000 0.945 463 Q HN 0.443 nan 8.270 nan 0.000 0.461 464 Q N 0.392 120.184 119.800 -0.013 0.000 2.083 464 Q HA -0.100 4.241 4.340 0.001 0.000 0.198 464 Q C 2.115 178.120 176.000 0.008 0.000 0.969 464 Q CA 1.227 57.027 55.803 -0.004 0.000 0.838 464 Q CB -0.105 28.632 28.738 -0.003 0.000 0.900 464 Q HN 0.364 nan 8.270 nan 0.000 0.436 465 L N 1.543 122.779 121.223 0.021 0.000 2.042 465 L HA -0.201 4.139 4.340 0.001 0.000 0.210 465 L C 1.348 178.243 176.870 0.042 0.000 1.076 465 L CA 1.988 56.868 54.840 0.066 0.000 0.749 465 L CB -0.488 41.626 42.059 0.093 0.000 0.893 465 L HN 0.077 nan 8.230 nan 0.000 0.432 466 D N -0.692 119.703 120.400 -0.008 0.000 2.144 466 D HA -0.147 4.493 4.640 0.001 0.000 0.199 466 D C 2.390 178.690 176.300 0.001 0.000 0.984 466 D CA 1.564 55.555 54.000 -0.016 0.000 0.834 466 D CB -0.253 40.520 40.800 -0.045 0.000 0.955 466 D HN 0.592 nan 8.370 nan 0.000 0.465 467 S N -0.543 115.157 115.700 -0.001 0.000 2.515 467 S HA -0.048 4.423 4.470 0.001 0.000 0.231 467 S C 0.941 175.543 174.600 0.003 0.000 0.987 467 S CA 0.238 58.438 58.200 -0.001 0.000 0.936 467 S CB -0.527 62.670 63.200 -0.005 0.000 0.766 467 S HN 0.009 nan 8.310 nan 0.000 0.528 468 T N 4.565 119.126 114.554 0.012 0.000 2.814 468 T HA 0.396 4.746 4.350 0.001 0.000 0.297 468 T C 0.157 174.871 174.700 0.024 0.000 0.956 468 T CA -0.533 61.574 62.100 0.012 0.000 1.123 468 T CB 0.431 69.311 68.868 0.020 0.000 0.902 468 T HN 0.125 nan 8.240 nan 0.000 0.528 469 I N 2.659 123.238 120.570 0.014 0.000 2.581 469 I HA 0.323 4.493 4.170 0.001 0.000 0.288 469 I C 1.347 177.485 176.117 0.035 0.000 1.047 469 I CA -0.514 60.798 61.300 0.020 0.000 1.374 469 I CB 0.325 38.330 38.000 0.009 0.000 1.423 469 I HN 0.713 nan 8.210 nan 0.000 0.549 470 G N 5.428 114.257 108.800 0.049 0.000 2.599 470 G HA2 0.522 4.482 3.960 0.001 0.000 0.264 470 G HA3 0.522 4.482 3.960 0.001 0.000 0.264 470 G C -0.285 174.653 174.900 0.063 0.000 1.200 470 G CA -0.561 44.580 45.100 0.068 0.000 0.896 470 G HN 0.518 nan 8.290 nan 0.000 0.536 471 I N 0.000 120.609 120.570 0.065 0.000 2.354 471 I HA 0.288 4.459 4.170 0.001 0.000 0.292 471 I C -0.289 175.880 176.117 0.087 0.000 0.989 471 I CA -0.623 60.715 61.300 0.062 0.000 1.188 471 I CB 1.725 39.744 38.000 0.032 0.000 1.342 471 I HN 0.553 nan 8.210 nan 0.000 0.457 472 H N 6.611 125.680 119.070 -0.002 0.000 2.572 472 H HA 0.587 5.143 4.556 0.001 0.000 0.359 472 H C -2.509 172.817 175.328 -0.004 0.000 1.134 472 H CA -1.668 54.377 56.048 -0.005 0.000 1.187 472 H CB 1.884 31.644 29.762 -0.003 0.000 1.597 472 H HN 0.352 nan 8.280 nan 0.000 0.524 473 P HA 0.353 nan 4.420 nan 0.000 0.297 473 P C -1.402 175.752 177.300 -0.243 0.000 1.319 473 P CA -0.544 62.214 63.100 -0.570 0.000 0.810 473 P CB 1.476 32.865 31.700 -0.518 0.000 0.947 474 V N 2.380 122.169 119.914 -0.208 0.000 2.969 474 V HA 0.035 4.155 4.120 0.001 0.000 0.304 474 V C 1.014 177.032 176.094 -0.127 0.000 1.192 474 V CA -0.553 61.683 62.300 -0.108 0.000 0.962 474 V CB 1.894 33.691 31.823 -0.043 0.000 1.045 474 V HN 0.690 nan 8.190 nan 0.000 0.428 475 C N 2.458 121.693 119.300 -0.108 0.000 2.429 475 C HA -0.113 4.348 4.460 0.001 0.000 0.277 475 C C 2.712 177.532 174.990 -0.282 0.000 1.262 475 C CA 1.633 60.526 59.018 -0.208 0.000 1.733 475 C CB -0.886 26.828 27.740 -0.043 0.000 2.010 475 C HN 1.042 nan 8.230 nan 0.000 0.483 476 A N 1.104 123.898 122.820 -0.043 0.000 2.070 476 A HA -0.201 4.119 4.320 0.001 0.000 0.220 476 A C 2.050 179.735 177.584 0.169 0.000 1.159 476 A CA 1.756 53.877 52.037 0.140 0.000 0.656 476 A CB -0.685 18.465 19.000 0.251 0.000 0.800 476 A HN 0.856 nan 8.150 nan 0.000 0.453 477 E N -0.187 120.036 120.200 0.038 0.000 2.204 477 E HA -0.215 4.135 4.350 0.001 0.000 0.195 477 E C 1.669 178.267 176.600 -0.002 0.000 0.990 477 E CA 1.212 57.646 56.400 0.057 0.000 0.821 477 E CB -0.557 29.162 29.700 0.033 0.000 0.750 477 E HN 0.420 nan 8.360 nan 0.000 0.477 478 I N 1.076 121.539 120.570 -0.178 0.000 2.229 478 I HA -0.301 3.870 4.170 0.001 0.000 0.250 478 I C 1.657 177.600 176.117 -0.289 0.000 1.096 478 I CA 1.423 62.532 61.300 -0.317 0.000 1.358 478 I CB -0.381 37.218 38.000 -0.669 0.000 1.047 478 I HN 0.110 nan 8.210 nan 0.000 0.422 479 F N 0.275 120.121 119.950 -0.174 0.000 2.365 479 F HA -0.163 4.365 4.527 0.001 0.000 0.300 479 F C 2.583 178.372 175.800 -0.019 0.000 1.090 479 F CA 1.542 59.457 58.000 -0.141 0.000 1.408 479 F CB -1.053 37.795 39.000 -0.253 0.000 1.060 479 F HN 0.264 nan 8.300 nan 0.000 0.534 480 T N -3.892 110.764 114.554 0.169 0.000 3.088 480 T HA -0.048 4.303 4.350 0.001 0.000 0.259 480 T C 1.187 175.909 174.700 0.035 0.000 1.122 480 T CA 1.151 63.321 62.100 0.118 0.000 1.095 480 T CB -0.585 68.348 68.868 0.107 0.000 0.930 480 T HN 0.222 nan 8.240 nan 0.000 0.508 481 T N -0.198 114.353 114.554 -0.006 0.000 3.487 481 T HA 0.459 4.810 4.350 0.001 0.000 0.287 481 T C -0.050 174.624 174.700 -0.043 0.000 1.004 481 T CA -0.657 61.431 62.100 -0.020 0.000 0.977 481 T CB -0.744 68.120 68.868 -0.007 0.000 1.180 481 T HN 0.293 nan 8.240 nan 0.000 0.490 482 L N 3.042 124.223 121.223 -0.069 0.000 2.401 482 L HA 0.323 4.663 4.340 0.001 0.000 0.283 482 L C 1.673 178.589 176.870 0.075 0.000 1.151 482 L CA -0.378 54.431 54.840 -0.051 0.000 0.942 482 L CB 0.448 42.447 42.059 -0.101 0.000 1.283 482 L HN 0.568 nan 8.230 nan 0.000 0.442 483 S N 0.935 116.699 115.700 0.106 0.000 2.475 483 S HA 0.078 4.548 4.470 0.001 0.000 0.224 483 S C 0.679 175.405 174.600 0.210 0.000 1.042 483 S CA -0.263 58.047 58.200 0.184 0.000 0.935 483 S CB 0.224 63.479 63.200 0.092 0.000 0.801 483 S HN 0.214 nan 8.310 nan 0.000 0.509 484 V N 4.370 124.359 119.914 0.127 0.000 2.470 484 V HA 0.350 4.471 4.120 0.001 0.000 0.276 484 V C 0.855 176.975 176.094 0.043 0.000 1.040 484 V CA -0.078 62.268 62.300 0.076 0.000 1.008 484 V CB 0.172 32.034 31.823 0.064 0.000 0.990 484 V HN 0.666 nan 8.190 nan 0.000 0.477 485 T N 1.586 116.073 114.554 -0.111 0.000 2.899 485 T HA 0.329 4.679 4.350 0.001 0.000 0.284 485 T C 0.911 175.492 174.700 -0.198 0.000 1.004 485 T CA -0.615 61.309 62.100 -0.294 0.000 1.043 485 T CB 1.596 70.181 68.868 -0.472 0.000 1.013 485 T HN 0.585 nan 8.240 nan 0.000 0.518 486 K N 0.475 120.656 120.400 -0.365 0.000 2.025 486 K HA -0.076 4.244 4.320 0.001 0.000 0.207 486 K C 2.570 179.060 176.600 -0.185 0.000 1.049 486 K CA 1.007 57.057 56.287 -0.395 0.000 0.933 486 K CB -0.149 32.025 32.500 -0.544 0.000 0.714 486 K HN 0.724 nan 8.250 nan 0.000 0.438 487 R N 0.670 121.062 120.500 -0.179 0.000 2.096 487 R HA -0.166 4.174 4.340 0.001 0.000 0.240 487 R C 2.166 178.416 176.300 -0.084 0.000 1.139 487 R CA 2.290 58.320 56.100 -0.117 0.000 0.952 487 R CB -0.605 29.624 30.300 -0.118 0.000 0.854 487 R HN 0.271 nan 8.270 nan 0.000 0.436 488 S N -0.766 114.878 115.700 -0.094 0.000 2.420 488 S HA -0.082 4.388 4.470 0.001 0.000 0.237 488 S C 1.656 176.241 174.600 -0.025 0.000 1.023 488 S CA 1.528 59.694 58.200 -0.056 0.000 0.991 488 S CB -0.649 62.517 63.200 -0.057 0.000 0.792 488 S HN 0.819 nan 8.310 nan 0.000 0.488 489 G N 0.367 109.157 108.800 -0.017 0.000 2.212 489 G HA2 -0.158 3.802 3.960 0.001 0.000 0.266 489 G HA3 -0.158 3.802 3.960 0.001 0.000 0.266 489 G C 0.544 175.465 174.900 0.035 0.000 0.978 489 G CA 0.273 45.379 45.100 0.010 0.000 0.632 489 G HN 1.337 nan 8.290 nan 0.000 0.537 490 G N 0.150 108.972 108.800 0.036 0.000 2.391 490 G HA2 0.369 4.330 3.960 0.001 0.000 0.234 490 G HA3 0.369 4.330 3.960 0.001 0.000 0.234 490 G C 0.073 175.009 174.900 0.060 0.000 1.284 490 G CA 0.709 45.834 45.100 0.042 0.000 0.873 490 G HN 0.552 nan 8.290 nan 0.000 0.549 491 D N 0.358 120.786 120.400 0.048 0.000 2.493 491 D HA 0.046 4.687 4.640 0.001 0.000 0.240 491 D C 1.526 177.858 176.300 0.053 0.000 1.142 491 D CA 0.127 54.159 54.000 0.053 0.000 0.872 491 D CB 0.443 41.267 40.800 0.040 0.000 1.173 491 D HN 0.335 nan 8.370 nan 0.000 0.467 492 I N 0.733 121.343 120.570 0.068 0.000 4.139 492 I HA 0.142 4.312 4.170 0.001 0.000 0.335 492 I C 1.189 177.419 176.117 0.188 0.000 1.327 492 I CA -0.489 60.841 61.300 0.050 0.000 1.112 492 I CB 0.113 38.016 38.000 -0.161 0.000 1.058 492 I HN 0.256 nan 8.210 nan 0.000 0.396 493 L N 1.159 122.484 121.223 0.169 0.000 1.937 493 L HA 0.043 4.384 4.340 0.001 0.000 0.213 493 L C 1.227 178.113 176.870 0.026 0.000 1.077 493 L CA 2.080 56.979 54.840 0.098 0.000 0.758 493 L CB -0.392 41.662 42.059 -0.007 0.000 0.888 493 L HN 0.450 nan 8.230 nan 0.000 0.433 494 Q N -0.800 119.006 119.800 0.010 0.000 3.090 494 Q HA 0.397 4.737 4.340 0.001 0.000 0.241 494 Q C -1.221 174.772 176.000 -0.012 0.000 0.958 494 Q CA -0.073 55.712 55.803 -0.029 0.000 0.715 494 Q CB 0.739 29.460 28.738 -0.029 0.000 1.298 494 Q HN 0.265 nan 8.270 nan 0.000 0.468 495 S N 1.157 116.856 115.700 -0.003 0.000 2.717 495 S HA 0.260 4.730 4.470 0.001 0.000 0.304 495 S C -0.386 174.226 174.600 0.019 0.000 0.495 495 S CA 0.050 58.255 58.200 0.010 0.000 0.607 495 S CB -0.365 62.823 63.200 -0.021 0.000 0.949 495 S HN 1.079 nan 8.310 nan 0.000 0.615 496 G N 2.597 111.443 108.800 0.077 0.000 2.540 496 G HA2 0.148 4.109 3.960 0.001 0.000 0.260 496 G HA3 0.148 4.109 3.960 0.001 0.000 0.260 496 G C 1.156 176.115 174.900 0.099 0.000 0.993 496 G CA 0.586 45.735 45.100 0.083 0.000 1.327 496 G HN 2.755 nan 8.290 nan 0.000 0.485 499 G N 0.000 108.828 108.800 0.046 0.000 5.446 499 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 499 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 499 G CA 0.000 45.121 45.100 0.035 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925