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 3izn_1_A DATA FIRST_RESID 1 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVITN DATA SEQUENCE IKDLSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.086 176.094 -0.014 0.000 1.182 1 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 1 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 2 L N 2.894 124.107 121.223 -0.017 0.000 2.307 2 L HA 0.564 4.904 4.340 0.000 0.000 0.282 2 L C -2.217 174.641 176.870 -0.020 0.000 1.051 2 L CA -1.513 53.316 54.840 -0.020 0.000 0.804 2 L CB 0.749 42.793 42.059 -0.025 0.000 1.197 2 L HN 0.164 nan 8.230 nan 0.000 0.431 3 P HA 0.101 nan 4.420 nan 0.000 0.268 3 P C -0.738 176.549 177.300 -0.021 0.000 1.204 3 P CA -0.233 62.856 63.100 -0.017 0.000 0.768 3 P CB 0.444 32.136 31.700 -0.015 0.000 0.842 4 E N 2.208 122.396 120.200 -0.019 0.000 2.360 4 E HA 0.049 4.399 4.350 0.000 0.000 0.269 4 E C 0.564 177.154 176.600 -0.018 0.000 1.022 4 E CA 0.124 56.512 56.400 -0.021 0.000 0.887 4 E CB 0.290 29.979 29.700 -0.018 0.000 0.990 4 E HN 0.514 nan 8.360 nan 0.000 0.426 5 N N 1.051 119.740 118.700 -0.019 0.000 2.993 5 N HA -0.147 4.593 4.740 0.000 0.000 0.171 5 N C -0.738 174.766 175.510 -0.010 0.000 1.446 5 N CA 0.703 53.746 53.050 -0.011 0.000 1.542 5 N CB -0.482 38.001 38.487 -0.007 0.000 1.042 5 N HN 0.321 nan 8.380 nan 0.000 0.638 6 M N 1.523 121.114 119.600 -0.016 0.000 2.250 6 M HA 0.298 4.778 4.480 0.000 0.000 0.344 6 M C -0.001 176.280 176.300 -0.032 0.000 1.150 6 M CA 0.335 55.626 55.300 -0.015 0.000 1.147 6 M CB 0.905 33.494 32.600 -0.018 0.000 1.498 6 M HN 0.044 nan 8.290 nan 0.000 0.461 7 K N 1.893 122.282 120.400 -0.018 0.000 2.244 7 K HA 0.584 4.904 4.320 0.000 0.000 0.260 7 K C -0.499 176.051 176.600 -0.083 0.000 0.951 7 K CA -0.637 55.607 56.287 -0.071 0.000 0.826 7 K CB 2.407 34.933 32.500 0.044 0.000 1.108 7 K HN 0.529 nan 8.250 nan 0.000 0.433 8 R N 3.121 123.470 120.500 -0.252 0.000 2.538 8 R HA 0.320 4.660 4.340 0.000 0.000 0.292 8 R C -1.606 174.492 176.300 -0.336 0.000 1.008 8 R CA -0.512 55.490 56.100 -0.164 0.000 0.896 8 R CB 0.883 31.131 30.300 -0.087 0.000 1.187 8 R HN 0.550 nan 8.270 nan 0.000 0.440 9 Y N 3.287 123.591 120.300 0.006 0.000 2.562 9 Y HA 0.570 5.120 4.550 -0.000 0.000 0.343 9 Y C 0.232 176.132 175.900 0.001 0.000 1.025 9 Y CA -0.869 57.234 58.100 0.004 0.000 1.082 9 Y CB 2.437 40.902 38.460 0.008 0.000 1.264 9 Y HN 0.307 nan 8.280 nan 0.000 0.478 10 M N 0.544 120.235 119.600 0.152 0.000 2.593 10 M HA 0.584 5.064 4.480 0.000 0.000 0.290 10 M C 0.459 176.794 176.300 0.059 0.000 1.244 10 M CA -0.334 55.012 55.300 0.076 0.000 0.857 10 M CB 2.472 35.095 32.600 0.039 0.000 1.738 10 M HN 0.889 nan 8.290 nan 0.000 0.461 11 G N 2.016 110.832 108.800 0.026 0.000 2.556 11 G HA2 -0.335 3.625 3.960 0.000 0.000 0.283 11 G HA3 -0.335 3.625 3.960 0.000 0.000 0.283 11 G C 0.506 175.400 174.900 -0.010 0.000 1.177 11 G CA 0.794 45.893 45.100 -0.001 0.000 0.978 11 G HN 0.988 nan 8.290 nan 0.000 0.554 12 R N 0.510 121.002 120.500 -0.014 0.000 2.237 12 R HA 0.064 4.404 4.340 0.000 0.000 0.219 12 R C 1.553 177.840 176.300 -0.021 0.000 1.080 12 R CA 2.066 58.151 56.100 -0.025 0.000 0.995 12 R CB -0.268 30.018 30.300 -0.024 0.000 0.875 12 R HN 0.495 nan 8.270 nan 0.000 0.462 13 D N 1.431 121.839 120.400 0.014 0.000 2.183 13 D HA 0.008 4.648 4.640 0.000 0.000 0.205 13 D C 1.958 178.246 176.300 -0.020 0.000 0.962 13 D CA 1.347 55.355 54.000 0.013 0.000 0.849 13 D CB -0.009 40.887 40.800 0.160 0.000 0.978 13 D HN 0.392 nan 8.370 nan 0.000 0.488 14 A N 1.157 124.017 122.820 0.067 0.000 1.902 14 A HA -0.183 4.137 4.320 0.000 0.000 0.217 14 A C 2.140 179.723 177.584 -0.003 0.000 1.181 14 A CA 1.200 53.280 52.037 0.073 0.000 0.623 14 A CB -0.285 18.763 19.000 0.080 0.000 0.818 14 A HN 0.051 nan 8.150 nan 0.000 0.443 15 Q N -0.722 119.062 119.800 -0.027 0.000 2.123 15 Q HA -0.107 4.233 4.340 0.000 0.000 0.199 15 Q C 2.231 178.184 176.000 -0.079 0.000 0.966 15 Q CA 1.449 57.223 55.803 -0.050 0.000 0.845 15 Q CB -0.398 28.306 28.738 -0.057 0.000 0.907 15 Q HN 0.769 nan 8.270 nan 0.000 0.439 16 R N -0.098 120.345 120.500 -0.094 0.000 2.070 16 R HA -0.081 4.259 4.340 0.000 0.000 0.233 16 R C 2.167 178.372 176.300 -0.158 0.000 1.137 16 R CA 1.302 57.332 56.100 -0.117 0.000 0.945 16 R CB 0.030 30.261 30.300 -0.115 0.000 0.845 16 R HN 0.132 nan 8.270 nan 0.000 0.430 17 M N 0.819 120.289 119.600 -0.217 0.000 2.132 17 M HA -0.105 4.375 4.480 0.000 0.000 0.263 17 M C 1.733 177.908 176.300 -0.208 0.000 1.065 17 M CA 1.450 56.597 55.300 -0.255 0.000 1.122 17 M CB -1.136 31.209 32.600 -0.426 0.000 1.365 17 M HN 0.165 nan 8.290 nan 0.000 0.411 18 N N 0.660 119.281 118.700 -0.133 0.000 2.216 18 N HA 0.002 4.742 4.740 0.000 0.000 0.183 18 N C 1.850 177.221 175.510 -0.232 0.000 1.017 18 N CA 1.102 54.066 53.050 -0.143 0.000 0.861 18 N CB -0.260 38.271 38.487 0.073 0.000 0.986 18 N HN 0.364 nan 8.380 nan 0.000 0.428 19 I N 0.318 120.799 120.570 -0.147 0.000 2.252 19 I HA -0.201 3.969 4.170 0.000 0.000 0.245 19 I C 1.661 177.689 176.117 -0.148 0.000 1.102 19 I CA 0.549 61.773 61.300 -0.126 0.000 1.385 19 I CB -0.093 37.850 38.000 -0.096 0.000 1.064 19 I HN 0.020 nan 8.210 nan 0.000 0.414 20 L N 0.855 121.981 121.223 -0.162 0.000 2.127 20 L HA -0.194 4.146 4.340 0.000 0.000 0.211 20 L C 2.679 179.449 176.870 -0.166 0.000 1.089 20 L CA 1.981 56.735 54.840 -0.144 0.000 0.757 20 L CB -1.247 40.729 42.059 -0.137 0.000 0.899 20 L HN 0.212 nan 8.230 nan 0.000 0.434 21 A N -0.668 121.992 122.820 -0.268 0.000 1.908 21 A HA -0.139 4.181 4.320 0.000 0.000 0.218 21 A C 2.435 179.918 177.584 -0.168 0.000 1.181 21 A CA 1.789 53.652 52.037 -0.289 0.000 0.627 21 A CB -1.289 17.302 19.000 -0.681 0.000 0.818 21 A HN 0.441 nan 8.150 nan 0.000 0.445 22 G N -0.942 107.765 108.800 -0.154 0.000 2.402 22 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 22 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 22 G C 1.727 176.588 174.900 -0.064 0.000 1.162 22 G CA 0.860 45.911 45.100 -0.081 0.000 0.777 22 G HN 0.450 nan 8.290 nan 0.000 0.539 23 R N 0.503 120.959 120.500 -0.074 0.000 2.105 23 R HA -0.025 4.315 4.340 0.000 0.000 0.239 23 R C 2.510 178.780 176.300 -0.052 0.000 1.135 23 R CA 1.121 57.187 56.100 -0.058 0.000 0.967 23 R CB -0.476 29.788 30.300 -0.060 0.000 0.861 23 R HN 0.456 nan 8.270 nan 0.000 0.442 24 I N 0.815 121.349 120.570 -0.059 0.000 2.226 24 I HA -0.308 3.862 4.170 0.000 0.000 0.245 24 I C 2.215 178.311 176.117 -0.035 0.000 1.100 24 I CA 0.846 62.118 61.300 -0.046 0.000 1.374 24 I CB -0.230 37.740 38.000 -0.050 0.000 1.057 24 I HN 0.114 nan 8.210 nan 0.000 0.413 25 I N 1.028 121.578 120.570 -0.034 0.000 2.226 25 I HA -0.255 3.915 4.170 0.000 0.000 0.245 25 I C 2.850 178.954 176.117 -0.022 0.000 1.100 25 I CA 1.693 62.979 61.300 -0.023 0.000 1.374 25 I CB -1.559 36.430 38.000 -0.018 0.000 1.057 25 I HN 0.184 nan 8.210 nan 0.000 0.413 26 A N 0.452 123.256 122.820 -0.027 0.000 1.902 26 A HA -0.197 4.123 4.320 0.000 0.000 0.217 26 A C 2.232 179.800 177.584 -0.027 0.000 1.181 26 A CA 1.445 53.466 52.037 -0.027 0.000 0.623 26 A CB -0.609 18.372 19.000 -0.031 0.000 0.818 26 A HN 0.470 nan 8.150 nan 0.000 0.443 27 E N -0.897 119.286 120.200 -0.028 0.000 2.204 27 E HA -0.106 4.244 4.350 0.000 0.000 0.194 27 E C 1.947 178.534 176.600 -0.023 0.000 0.989 27 E CA 1.399 57.783 56.400 -0.027 0.000 0.824 27 E CB -0.186 29.497 29.700 -0.028 0.000 0.756 27 E HN 0.629 nan 8.360 nan 0.000 0.477 28 T N 0.694 115.235 114.554 -0.021 0.000 2.698 28 T HA -0.113 4.237 4.350 0.000 0.000 0.260 28 T C 2.174 176.864 174.700 -0.016 0.000 1.044 28 T CA 1.545 63.635 62.100 -0.017 0.000 1.149 28 T CB -0.152 68.708 68.868 -0.014 0.000 0.864 28 T HN 0.190 nan 8.240 nan 0.000 0.419 29 V N 2.134 122.038 119.914 -0.016 0.000 3.129 29 V HA 0.031 4.151 4.120 0.000 0.000 0.259 29 V C 2.320 178.403 176.094 -0.019 0.000 1.116 29 V CA 1.078 63.369 62.300 -0.015 0.000 1.127 29 V CB -1.050 30.766 31.823 -0.013 0.000 0.742 29 V HN 0.478 nan 8.190 nan 0.000 0.474 30 R N 2.772 123.259 120.500 -0.022 0.000 2.249 30 R HA -0.134 4.206 4.340 0.000 0.000 0.230 30 R C 2.016 178.300 176.300 -0.027 0.000 1.121 30 R CA 1.779 57.863 56.100 -0.026 0.000 0.997 30 R CB -1.208 29.074 30.300 -0.029 0.000 0.867 30 R HN 0.706 nan 8.270 nan 0.000 0.465 31 S N 0.296 115.982 115.700 -0.024 0.000 2.515 31 S HA -0.084 4.386 4.470 0.000 0.000 0.231 31 S C 1.734 176.318 174.600 -0.025 0.000 0.987 31 S CA 0.866 59.052 58.200 -0.024 0.000 0.936 31 S CB -0.058 63.130 63.200 -0.020 0.000 0.766 31 S HN 0.588 nan 8.310 nan 0.000 0.528 32 T N -0.686 113.854 114.554 -0.023 0.000 3.044 32 T HA 0.390 4.740 4.350 0.000 0.000 0.250 32 T C 0.513 175.196 174.700 -0.027 0.000 1.081 32 T CA -0.476 61.611 62.100 -0.021 0.000 1.040 32 T CB -0.501 68.359 68.868 -0.014 0.000 0.962 32 T HN 0.301 nan 8.240 nan 0.000 0.506 33 L N 2.221 123.424 121.223 -0.032 0.000 2.456 33 L HA 0.504 4.844 4.340 0.000 0.000 0.272 33 L C 1.195 178.034 176.870 -0.051 0.000 1.189 33 L CA 0.942 55.761 54.840 -0.036 0.000 0.846 33 L CB -0.157 41.880 42.059 -0.037 0.000 1.111 33 L HN 0.670 nan 8.230 nan 0.000 0.475 34 G N 3.185 111.955 108.800 -0.050 0.000 2.663 34 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 34 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 34 G C -2.403 172.440 174.900 -0.095 0.000 1.246 34 G CA -0.728 44.327 45.100 -0.076 0.000 0.795 34 G HN 0.472 nan 8.290 nan 0.000 0.627 35 P HA -0.009 nan 4.420 nan 0.000 0.218 35 P C 1.257 178.367 177.300 -0.315 0.000 1.148 35 P CA 1.295 64.288 63.100 -0.178 0.000 0.822 35 P CB 0.159 31.708 31.700 -0.252 0.000 0.784 36 K N -0.330 119.844 120.400 -0.378 0.000 2.576 36 K HA 0.293 4.613 4.320 0.000 0.000 0.209 36 K C 0.958 177.471 176.600 -0.145 0.000 1.049 36 K CA -0.125 55.993 56.287 -0.281 0.000 1.140 36 K CB -0.024 32.276 32.500 -0.335 0.000 0.871 36 K HN 0.057 nan 8.250 nan 0.000 0.479 37 G N 0.846 109.581 108.800 -0.109 0.000 2.634 37 G HA2 0.238 4.198 3.960 0.000 0.000 0.255 37 G HA3 0.238 4.198 3.960 0.000 0.000 0.255 37 G C 0.281 175.154 174.900 -0.046 0.000 1.205 37 G CA -0.393 44.667 45.100 -0.067 0.000 0.884 37 G HN -0.027 nan 8.290 nan 0.000 0.549 38 M N -0.152 119.428 119.600 -0.034 0.000 2.679 38 M HA 0.441 4.921 4.480 0.000 0.000 0.287 38 M C -0.589 175.704 176.300 -0.013 0.000 1.202 38 M CA -0.640 54.647 55.300 -0.022 0.000 0.911 38 M CB 1.272 33.859 32.600 -0.021 0.000 1.556 38 M HN 0.344 nan 8.290 nan 0.000 0.511 39 D N 0.139 120.535 120.400 -0.007 0.000 2.449 39 D HA 0.601 5.241 4.640 0.000 0.000 0.250 39 D C -0.699 175.602 176.300 0.001 0.000 1.050 39 D CA -0.418 53.582 54.000 0.000 0.000 1.024 39 D CB 1.495 42.299 40.800 0.007 0.000 1.218 39 D HN 0.263 nan 8.370 nan 0.000 0.566 40 K N 0.133 120.537 120.400 0.006 0.000 2.385 40 K HA 0.546 4.866 4.320 0.000 0.000 0.248 40 K C -0.799 175.810 176.600 0.016 0.000 0.955 40 K CA -0.814 55.477 56.287 0.007 0.000 0.816 40 K CB 2.825 35.328 32.500 0.005 0.000 1.250 40 K HN 0.276 nan 8.250 nan 0.000 0.434 41 M N 3.500 123.109 119.600 0.015 0.000 2.078 41 M HA 0.314 4.794 4.480 0.000 0.000 0.320 41 M C -1.871 174.443 176.300 0.024 0.000 0.969 41 M CA -0.959 54.355 55.300 0.025 0.000 0.929 41 M CB 0.578 33.187 32.600 0.014 0.000 1.504 41 M HN 0.396 nan 8.290 nan 0.000 0.419 42 L N 5.474 126.716 121.223 0.032 0.000 2.322 42 L HA 0.625 4.965 4.340 0.000 0.000 0.281 42 L C -0.880 176.009 176.870 0.032 0.000 1.014 42 L CA -0.450 54.406 54.840 0.025 0.000 0.815 42 L CB 2.162 44.233 42.059 0.019 0.000 1.247 42 L HN 0.434 nan 8.230 nan 0.000 0.421 43 V N 2.796 122.726 119.914 0.026 0.000 2.378 43 V HA 0.358 4.478 4.120 0.000 0.000 0.288 43 V C -0.312 175.793 176.094 0.019 0.000 1.016 43 V CA -0.974 61.342 62.300 0.028 0.000 0.840 43 V CB 1.450 33.289 31.823 0.026 0.000 0.994 43 V HN 0.841 nan 8.190 nan 0.000 0.431 44 D N 3.486 123.896 120.400 0.017 0.000 2.398 44 D HA 0.003 4.643 4.640 0.000 0.000 0.264 44 D C 1.031 177.337 176.300 0.010 0.000 1.263 44 D CA -0.219 53.788 54.000 0.011 0.000 1.037 44 D CB 0.470 41.274 40.800 0.007 0.000 1.101 44 D HN 0.570 nan 8.370 nan 0.000 0.551 45 D N -0.850 119.554 120.400 0.007 0.000 2.348 45 D HA -0.122 4.518 4.640 0.000 0.000 0.216 45 D C 1.661 177.965 176.300 0.006 0.000 0.970 45 D CA 0.501 54.505 54.000 0.006 0.000 0.889 45 D CB -0.155 40.648 40.800 0.005 0.000 0.912 45 D HN 0.381 nan 8.370 nan 0.000 0.524 46 L N -0.849 120.378 121.223 0.007 0.000 2.554 46 L HA 0.306 4.646 4.340 0.000 0.000 0.225 46 L C 1.850 178.725 176.870 0.010 0.000 1.104 46 L CA 0.542 55.386 54.840 0.006 0.000 0.866 46 L CB 0.257 42.319 42.059 0.004 0.000 1.047 46 L HN 0.298 nan 8.230 nan 0.000 0.468 47 G N -0.371 108.437 108.800 0.013 0.000 2.218 47 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 47 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 47 G C 0.117 175.034 174.900 0.029 0.000 0.994 47 G CA -0.022 45.090 45.100 0.020 0.000 0.637 47 G HN 0.313 nan 8.290 nan 0.000 0.505 48 D N 1.036 121.449 120.400 0.022 0.000 2.455 48 D HA 0.394 5.034 4.640 0.000 0.000 0.241 48 D C 0.485 176.812 176.300 0.045 0.000 1.138 48 D CA 0.270 54.284 54.000 0.024 0.000 0.877 48 D CB 1.237 42.035 40.800 -0.003 0.000 1.187 48 D HN 0.273 nan 8.370 nan 0.000 0.451 49 V N 4.373 124.343 119.914 0.095 0.000 2.398 49 V HA 0.350 4.470 4.120 0.000 0.000 0.286 49 V C 0.140 176.326 176.094 0.154 0.000 1.026 49 V CA -0.806 61.593 62.300 0.164 0.000 0.868 49 V CB 1.704 33.689 31.823 0.270 0.000 0.982 49 V HN 0.346 nan 8.190 nan 0.000 0.443 50 V N 5.484 125.463 119.914 0.109 0.000 2.495 50 V HA 0.465 4.585 4.120 0.000 0.000 0.298 50 V C -0.251 175.907 176.094 0.105 0.000 1.031 50 V CA -0.646 61.696 62.300 0.070 0.000 0.871 50 V CB 2.145 33.981 31.823 0.022 0.000 0.988 50 V HN 0.598 nan 8.190 nan 0.000 0.432 51 V N 4.193 124.179 119.914 0.120 0.000 2.347 51 V HA 0.689 4.809 4.120 0.000 0.000 0.280 51 V C 0.140 176.265 176.094 0.051 0.000 1.021 51 V CA 0.058 62.413 62.300 0.091 0.000 0.847 51 V CB 1.379 33.271 31.823 0.115 0.000 0.990 51 V HN 1.004 nan 8.190 nan 0.000 0.444 52 T N 2.927 117.501 114.554 0.034 0.000 2.821 52 T HA 0.327 4.677 4.350 0.000 0.000 0.306 52 T C 0.232 174.941 174.700 0.015 0.000 1.313 52 T CA -0.416 61.697 62.100 0.022 0.000 1.012 52 T CB 1.991 70.869 68.868 0.016 0.000 1.298 52 T HN 0.634 nan 8.240 nan 0.000 0.502 53 N N 1.042 119.749 118.700 0.011 0.000 2.210 53 N HA 0.093 4.833 4.740 0.000 0.000 0.203 53 N C -0.787 174.725 175.510 0.004 0.000 1.175 53 N CA -0.020 53.034 53.050 0.006 0.000 0.894 53 N CB 0.493 38.983 38.487 0.006 0.000 1.041 53 N HN 0.571 nan 8.380 nan 0.000 0.506 54 D N 0.288 120.691 120.400 0.006 0.000 2.412 54 D HA 0.147 4.787 4.640 0.000 0.000 0.257 54 D C 1.386 177.688 176.300 0.003 0.000 1.217 54 D CA 0.267 54.270 54.000 0.004 0.000 0.897 54 D CB 1.077 41.880 40.800 0.005 0.000 1.132 54 D HN 0.305 nan 8.370 nan 0.000 0.493 55 G N 1.818 110.619 108.800 0.001 0.000 2.421 55 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 55 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 55 G C 1.584 176.485 174.900 0.001 0.000 1.171 55 G CA 0.362 45.462 45.100 -0.001 0.000 0.775 55 G HN 0.471 nan 8.290 nan 0.000 0.543 56 V N 0.852 120.767 119.914 0.002 0.000 2.490 56 V HA -0.150 3.970 4.120 0.000 0.000 0.250 56 V C 2.952 179.048 176.094 0.003 0.000 1.061 56 V CA 2.900 65.202 62.300 0.003 0.000 1.064 56 V CB -0.626 31.200 31.823 0.004 0.000 0.670 56 V HN 0.414 nan 8.190 nan 0.000 0.461 57 T N 0.824 115.380 114.554 0.003 0.000 2.812 57 T HA -0.053 4.297 4.350 0.000 0.000 0.264 57 T C 1.849 176.551 174.700 0.004 0.000 1.042 57 T CA 1.621 63.723 62.100 0.003 0.000 1.140 57 T CB -0.185 68.685 68.868 0.004 0.000 0.870 57 T HN 0.331 nan 8.240 nan 0.000 0.445 58 I N 0.969 121.542 120.570 0.004 0.000 2.179 58 I HA -0.069 4.101 4.170 0.000 0.000 0.242 58 I C 2.176 178.295 176.117 0.004 0.000 1.088 58 I CA 1.222 62.525 61.300 0.004 0.000 1.357 58 I CB -1.196 36.806 38.000 0.002 0.000 1.051 58 I HN 0.214 nan 8.210 nan 0.000 0.409 59 L N 0.170 121.396 121.223 0.004 0.000 2.179 59 L HA -0.041 4.299 4.340 0.000 0.000 0.208 59 L C 2.606 179.480 176.870 0.006 0.000 1.096 59 L CA 1.336 56.179 54.840 0.005 0.000 0.779 59 L CB -0.964 41.098 42.059 0.004 0.000 0.922 59 L HN 0.179 nan 8.230 nan 0.000 0.443 60 R N -0.131 120.372 120.500 0.005 0.000 2.066 60 R HA -0.118 4.222 4.340 0.000 0.000 0.232 60 R C 1.934 178.238 176.300 0.005 0.000 1.131 60 R CA 1.341 57.444 56.100 0.005 0.000 0.955 60 R CB 0.033 30.335 30.300 0.004 0.000 0.851 60 R HN 0.355 nan 8.270 nan 0.000 0.432 61 E N 0.924 121.127 120.200 0.005 0.000 2.076 61 E HA -0.063 4.287 4.350 0.000 0.000 0.190 61 E C 1.258 177.862 176.600 0.007 0.000 0.979 61 E CA 0.513 56.916 56.400 0.006 0.000 0.807 61 E CB -0.257 29.447 29.700 0.006 0.000 0.761 61 E HN 0.435 nan 8.360 nan 0.000 0.454 62 M N -0.093 119.511 119.600 0.007 0.000 2.219 62 M HA 0.068 4.548 4.480 0.000 0.000 0.307 62 M C 0.459 176.764 176.300 0.009 0.000 1.116 62 M CA 0.507 55.812 55.300 0.008 0.000 1.181 62 M CB 0.545 33.149 32.600 0.007 0.000 1.410 62 M HN -0.267 nan 8.290 nan 0.000 0.454 63 S N 2.251 117.956 115.700 0.010 0.000 2.512 63 S HA 0.467 4.937 4.470 0.000 0.000 0.291 63 S C -0.757 173.852 174.600 0.015 0.000 1.151 63 S CA -0.808 57.398 58.200 0.011 0.000 1.120 63 S CB -0.137 63.069 63.200 0.010 0.000 1.029 63 S HN 0.531 nan 8.310 nan 0.000 0.485 64 V N 5.098 125.023 119.914 0.018 0.000 2.607 64 V HA 0.375 4.495 4.120 0.000 0.000 0.289 64 V C 0.858 176.972 176.094 0.033 0.000 1.053 64 V CA -0.307 62.010 62.300 0.028 0.000 0.996 64 V CB 1.564 33.405 31.823 0.030 0.000 0.995 64 V HN 0.751 nan 8.190 nan 0.000 0.476 65 E N 0.943 121.172 120.200 0.049 0.000 2.228 65 E HA 0.078 4.428 4.350 0.000 0.000 0.197 65 E C 0.714 177.347 176.600 0.055 0.000 0.909 65 E CA 0.159 56.585 56.400 0.044 0.000 0.911 65 E CB -0.046 29.680 29.700 0.043 0.000 0.887 65 E HN 0.701 nan 8.360 nan 0.000 0.481 66 H N 2.435 121.505 119.070 0.001 0.000 2.764 66 H HA 0.051 4.606 4.556 -0.000 0.000 0.341 66 H C -1.750 173.578 175.328 -0.001 0.000 1.072 66 H CA -1.490 54.559 56.048 0.001 0.000 1.444 66 H CB 1.606 31.365 29.762 -0.004 0.000 1.458 66 H HN -0.209 nan 8.280 nan 0.000 0.572 67 P HA -0.137 nan 4.420 nan 0.000 0.215 67 P C 1.043 178.446 177.300 0.171 0.000 1.153 67 P CA 2.172 65.286 63.100 0.024 0.000 0.853 67 P CB 0.096 31.743 31.700 -0.089 0.000 0.788 68 A N -0.126 122.954 122.820 0.433 0.000 1.898 68 A HA -0.041 4.279 4.320 0.000 0.000 0.216 68 A C 2.311 179.950 177.584 0.092 0.000 1.181 68 A CA 1.879 54.041 52.037 0.208 0.000 0.620 68 A CB -1.552 17.517 19.000 0.114 0.000 0.819 68 A HN 0.185 nan 8.150 nan 0.000 0.442 69 A N -0.154 122.725 122.820 0.099 0.000 1.972 69 A HA -0.129 4.191 4.320 0.000 0.000 0.219 69 A C 2.053 179.665 177.584 0.046 0.000 1.169 69 A CA 1.699 53.758 52.037 0.036 0.000 0.635 69 A CB -0.375 18.642 19.000 0.027 0.000 0.810 69 A HN 0.540 nan 8.150 nan 0.000 0.446 70 K N -0.915 119.527 120.400 0.070 0.000 2.211 70 K HA -0.030 4.290 4.320 0.000 0.000 0.203 70 K C 1.789 178.410 176.600 0.034 0.000 1.050 70 K CA 1.106 57.419 56.287 0.044 0.000 0.945 70 K CB -0.181 32.343 32.500 0.040 0.000 0.732 70 K HN 0.354 nan 8.250 nan 0.000 0.451 71 M N 0.232 119.855 119.600 0.039 0.000 2.229 71 M HA -0.092 4.388 4.480 0.000 0.000 0.264 71 M C 1.860 178.172 176.300 0.021 0.000 1.063 71 M CA 1.220 56.537 55.300 0.029 0.000 1.114 71 M CB -0.655 31.964 32.600 0.031 0.000 1.387 71 M HN 0.073 nan 8.290 nan 0.000 0.420 72 L N -0.019 121.214 121.223 0.017 0.000 2.201 72 L HA -0.061 4.279 4.340 0.000 0.000 0.212 72 L C 2.254 179.130 176.870 0.010 0.000 1.105 72 L CA 1.194 56.040 54.840 0.010 0.000 0.775 72 L CB -0.808 41.252 42.059 0.002 0.000 0.913 72 L HN 0.214 nan 8.230 nan 0.000 0.440 73 I N -0.939 119.638 120.570 0.013 0.000 2.226 73 I HA -0.270 3.900 4.170 0.000 0.000 0.245 73 I C 2.458 178.582 176.117 0.011 0.000 1.100 73 I CA 1.001 62.308 61.300 0.011 0.000 1.374 73 I CB -0.145 37.862 38.000 0.013 0.000 1.057 73 I HN 0.230 nan 8.210 nan 0.000 0.413 74 E N 0.866 121.075 120.200 0.014 0.000 2.110 74 E HA -0.156 4.194 4.350 0.000 0.000 0.193 74 E C 2.129 178.738 176.600 0.014 0.000 0.988 74 E CA 1.128 57.536 56.400 0.013 0.000 0.804 74 E CB -0.089 29.621 29.700 0.015 0.000 0.745 74 E HN 0.241 nan 8.360 nan 0.000 0.458 75 V N 0.600 120.523 119.914 0.015 0.000 2.343 75 V HA -0.268 3.852 4.120 0.000 0.000 0.247 75 V C 2.320 178.421 176.094 0.012 0.000 1.051 75 V CA 1.846 64.155 62.300 0.015 0.000 1.036 75 V CB -0.902 30.930 31.823 0.015 0.000 0.654 75 V HN 0.443 nan 8.190 nan 0.000 0.451 76 A N -0.505 122.320 122.820 0.009 0.000 1.930 76 A HA -0.206 4.114 4.320 0.000 0.000 0.217 76 A C 2.298 179.887 177.584 0.007 0.000 1.175 76 A CA 1.760 53.801 52.037 0.007 0.000 0.627 76 A CB -0.377 18.626 19.000 0.005 0.000 0.815 76 A HN 0.538 nan 8.150 nan 0.000 0.443 77 K N -0.576 119.829 120.400 0.008 0.000 2.097 77 K HA -0.099 4.221 4.320 0.000 0.000 0.205 77 K C 2.228 178.833 176.600 0.008 0.000 1.050 77 K CA 1.716 58.008 56.287 0.007 0.000 0.938 77 K CB -0.308 32.196 32.500 0.008 0.000 0.718 77 K HN 0.732 nan 8.250 nan 0.000 0.442 78 T N -1.205 113.355 114.554 0.010 0.000 2.904 78 T HA -0.140 4.210 4.350 0.000 0.000 0.267 78 T C 2.000 176.707 174.700 0.011 0.000 1.059 78 T CA 0.842 62.948 62.100 0.011 0.000 1.137 78 T CB 0.005 68.882 68.868 0.014 0.000 0.879 78 T HN 0.012 nan 8.240 nan 0.000 0.467 79 Q N 1.340 121.146 119.800 0.011 0.000 2.083 79 Q HA -0.056 4.285 4.340 0.000 0.000 0.198 79 Q C 2.394 178.399 176.000 0.008 0.000 0.969 79 Q CA 1.571 57.380 55.803 0.010 0.000 0.838 79 Q CB -0.415 28.329 28.738 0.009 0.000 0.900 79 Q HN 0.624 nan 8.270 nan 0.000 0.436 80 E N 0.544 120.748 120.200 0.007 0.000 2.051 80 E HA -0.237 4.113 4.350 0.000 0.000 0.192 80 E C 1.816 178.419 176.600 0.005 0.000 0.991 80 E CA 1.481 57.885 56.400 0.005 0.000 0.799 80 E CB -0.138 29.565 29.700 0.004 0.000 0.748 80 E HN 0.368 nan 8.360 nan 0.000 0.449 81 K N 0.166 120.569 120.400 0.005 0.000 2.057 81 K HA -0.203 4.117 4.320 0.000 0.000 0.207 81 K C 2.182 178.785 176.600 0.005 0.000 1.049 81 K CA 1.770 58.060 56.287 0.005 0.000 0.931 81 K CB -0.059 32.444 32.500 0.005 0.000 0.714 81 K HN -0.066 nan 8.250 nan 0.000 0.440 82 E N -0.415 119.789 120.200 0.007 0.000 2.086 82 E HA -0.058 4.292 4.350 0.000 0.000 0.190 82 E C 1.564 178.169 176.600 0.008 0.000 0.975 82 E CA 1.110 57.515 56.400 0.008 0.000 0.813 82 E CB 0.356 30.062 29.700 0.010 0.000 0.768 82 E HN 0.133 nan 8.360 nan 0.000 0.457 83 V N -1.592 118.327 119.914 0.008 0.000 2.806 83 V HA 0.391 4.511 4.120 0.000 0.000 0.239 83 V C 1.656 177.755 176.094 0.008 0.000 1.113 83 V CA 0.849 63.154 62.300 0.008 0.000 1.137 83 V CB 0.394 32.223 31.823 0.010 0.000 0.865 83 V HN 0.506 nan 8.190 nan 0.000 0.482 84 G N 0.131 108.936 108.800 0.007 0.000 4.391 84 G HA2 -0.232 3.728 3.960 0.000 0.000 0.210 84 G HA3 -0.232 3.728 3.960 0.000 0.000 0.210 84 G C 0.143 175.047 174.900 0.007 0.000 1.547 84 G CA 0.279 45.383 45.100 0.006 0.000 1.103 84 G HN 0.441 nan 8.290 nan 0.000 0.637 85 D N 1.707 122.112 120.400 0.008 0.000 2.387 85 D HA 0.481 5.121 4.640 0.000 0.000 0.251 85 D C 1.418 177.722 176.300 0.007 0.000 1.141 85 D CA 1.265 55.270 54.000 0.009 0.000 0.987 85 D CB 0.807 41.614 40.800 0.011 0.000 1.116 85 D HN 1.722 nan 8.370 nan 0.000 0.491 86 G N 0.430 109.233 108.800 0.006 0.000 2.143 86 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 86 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 86 G C 1.010 175.910 174.900 0.001 0.000 0.981 86 G CA 1.205 46.306 45.100 0.003 0.000 0.665 86 G HN 0.613 nan 8.290 nan 0.000 0.528 87 T N -3.144 111.411 114.554 0.002 0.000 2.821 87 T HA -0.041 4.309 4.350 0.000 0.000 0.267 87 T C 2.206 176.904 174.700 -0.002 0.000 1.046 87 T CA 2.430 64.531 62.100 0.002 0.000 1.139 87 T CB -0.409 68.460 68.868 0.002 0.000 0.871 87 T HN 0.276 nan 8.240 nan 0.000 0.454 88 T N 1.898 116.449 114.554 -0.005 0.000 2.812 88 T HA -0.044 4.306 4.350 0.000 0.000 0.264 88 T C 2.234 176.926 174.700 -0.014 0.000 1.042 88 T CA 1.640 63.734 62.100 -0.010 0.000 1.140 88 T CB -0.844 68.017 68.868 -0.012 0.000 0.870 88 T HN 0.482 nan 8.240 nan 0.000 0.445 89 T N 2.183 116.728 114.554 -0.013 0.000 2.684 89 T HA -0.098 4.252 4.350 0.000 0.000 0.267 89 T C 2.383 177.072 174.700 -0.018 0.000 1.036 89 T CA 1.312 63.401 62.100 -0.018 0.000 1.148 89 T CB -0.546 68.313 68.868 -0.014 0.000 0.863 89 T HN 0.436 nan 8.240 nan 0.000 0.436 90 A N 0.742 123.557 122.820 -0.009 0.000 1.902 90 A HA -0.028 4.292 4.320 0.000 0.000 0.217 90 A C 2.593 180.173 177.584 -0.006 0.000 1.181 90 A CA 1.359 53.394 52.037 -0.003 0.000 0.623 90 A CB -0.895 18.108 19.000 0.006 0.000 0.818 90 A HN 0.365 nan 8.150 nan 0.000 0.443 91 V N -0.962 118.948 119.914 -0.007 0.000 2.323 91 V HA -0.176 3.944 4.120 0.000 0.000 0.244 91 V C 2.468 178.552 176.094 -0.017 0.000 1.041 91 V CA 1.788 64.083 62.300 -0.008 0.000 1.025 91 V CB -0.633 31.185 31.823 -0.007 0.000 0.656 91 V HN 0.375 nan 8.190 nan 0.000 0.451 92 V N -0.375 119.525 119.914 -0.023 0.000 2.515 92 V HA -0.168 3.952 4.120 0.000 0.000 0.250 92 V C 2.322 178.390 176.094 -0.042 0.000 1.058 92 V CA 1.933 64.215 62.300 -0.031 0.000 1.064 92 V CB 0.317 32.121 31.823 -0.033 0.000 0.675 92 V HN 0.386 nan 8.190 nan 0.000 0.461 93 V N 0.342 120.227 119.914 -0.048 0.000 2.358 93 V HA -0.153 3.967 4.120 0.000 0.000 0.246 93 V C 2.771 178.828 176.094 -0.061 0.000 1.047 93 V CA 1.890 64.144 62.300 -0.076 0.000 1.035 93 V CB -1.070 30.701 31.823 -0.088 0.000 0.658 93 V HN 0.618 nan 8.190 nan 0.000 0.452 94 A N 0.497 123.300 122.820 -0.027 0.000 1.933 94 A HA -0.098 4.222 4.320 0.000 0.000 0.218 94 A C 2.374 179.954 177.584 -0.006 0.000 1.175 94 A CA 1.999 54.035 52.037 -0.001 0.000 0.628 94 A CB -1.082 17.923 19.000 0.008 0.000 0.814 94 A HN 0.530 nan 8.150 nan 0.000 0.444 95 G N -0.823 107.966 108.800 -0.020 0.000 2.394 95 G HA2 -0.131 3.829 3.960 0.000 0.000 0.215 95 G HA3 -0.131 3.829 3.960 0.000 0.000 0.215 95 G C 1.463 176.348 174.900 -0.026 0.000 1.165 95 G CA 1.140 46.224 45.100 -0.026 0.000 0.784 95 G HN 0.532 nan 8.290 nan 0.000 0.535 96 E N 0.329 120.511 120.200 -0.030 0.000 2.106 96 E HA 0.035 4.385 4.350 0.000 0.000 0.192 96 E C 2.497 179.095 176.600 -0.005 0.000 0.984 96 E CA 0.473 56.855 56.400 -0.031 0.000 0.806 96 E CB -0.330 29.338 29.700 -0.054 0.000 0.750 96 E HN 0.426 nan 8.360 nan 0.000 0.458 97 L N -0.329 120.899 121.223 0.009 0.000 2.046 97 L HA -0.176 4.164 4.340 0.000 0.000 0.208 97 L C 2.130 179.073 176.870 0.122 0.000 1.077 97 L CA 0.525 55.445 54.840 0.133 0.000 0.747 97 L CB -0.383 41.771 42.059 0.159 0.000 0.896 97 L HN 0.229 nan 8.230 nan 0.000 0.432 98 L N -0.243 120.993 121.223 0.022 0.000 2.083 98 L HA -0.192 4.148 4.340 0.000 0.000 0.209 98 L C 2.703 179.557 176.870 -0.027 0.000 1.083 98 L CA 1.602 56.422 54.840 -0.033 0.000 0.752 98 L CB -0.802 41.231 42.059 -0.044 0.000 0.899 98 L HN 0.183 nan 8.230 nan 0.000 0.433 99 R N -0.652 119.841 120.500 -0.011 0.000 2.073 99 R HA -0.140 4.200 4.340 0.000 0.000 0.234 99 R C 2.103 178.408 176.300 0.007 0.000 1.134 99 R CA 1.150 57.241 56.100 -0.014 0.000 0.952 99 R CB 0.054 30.343 30.300 -0.018 0.000 0.850 99 R HN 0.132 nan 8.270 nan 0.000 0.433 100 K N 0.110 120.536 120.400 0.044 0.000 2.155 100 K HA 0.010 4.330 4.320 0.000 0.000 0.203 100 K C 1.907 178.574 176.600 0.112 0.000 1.052 100 K CA 1.089 57.424 56.287 0.080 0.000 0.948 100 K CB -0.129 32.434 32.500 0.106 0.000 0.728 100 K HN 0.257 nan 8.250 nan 0.000 0.448 101 A N 1.587 124.468 122.820 0.102 0.000 1.930 101 A HA -0.162 4.158 4.320 0.000 0.000 0.217 101 A C 2.154 179.719 177.584 -0.033 0.000 1.175 101 A CA 1.326 53.359 52.037 -0.007 0.000 0.627 101 A CB -0.236 18.623 19.000 -0.234 0.000 0.815 101 A HN 0.219 nan 8.150 nan 0.000 0.443 102 E N -0.115 120.065 120.200 -0.033 0.000 2.106 102 E HA -0.208 4.142 4.350 0.000 0.000 0.192 102 E C 1.940 178.527 176.600 -0.021 0.000 0.984 102 E CA 1.482 57.858 56.400 -0.040 0.000 0.806 102 E CB -0.099 29.572 29.700 -0.048 0.000 0.750 102 E HN 0.626 nan 8.360 nan 0.000 0.458 103 E N 0.491 120.689 120.200 -0.004 0.000 2.153 103 E HA -0.157 4.193 4.350 0.000 0.000 0.194 103 E C 2.047 178.655 176.600 0.013 0.000 0.988 103 E CA 0.597 56.999 56.400 0.004 0.000 0.811 103 E CB -0.326 29.381 29.700 0.012 0.000 0.746 103 E HN 0.182 nan 8.360 nan 0.000 0.466 104 L N -0.130 121.109 121.223 0.027 0.000 2.109 104 L HA 0.011 4.351 4.340 0.000 0.000 0.207 104 L C 2.011 178.889 176.870 0.013 0.000 1.086 104 L CA 1.422 56.285 54.840 0.038 0.000 0.760 104 L CB -0.319 41.789 42.059 0.082 0.000 0.910 104 L HN 0.240 nan 8.230 nan 0.000 0.437 105 L N -0.732 120.485 121.223 -0.010 0.000 2.141 105 L HA -0.188 4.152 4.340 0.000 0.000 0.209 105 L C 2.147 179.003 176.870 -0.023 0.000 1.094 105 L CA 1.425 56.247 54.840 -0.030 0.000 0.763 105 L CB -0.599 41.428 42.059 -0.053 0.000 0.908 105 L HN 0.318 nan 8.230 nan 0.000 0.437 106 D N -0.574 119.816 120.400 -0.017 0.000 2.178 106 D HA -0.186 4.454 4.640 0.000 0.000 0.202 106 D C 2.078 178.375 176.300 -0.004 0.000 0.974 106 D CA 0.857 54.849 54.000 -0.013 0.000 0.841 106 D CB 0.193 40.985 40.800 -0.013 0.000 0.953 106 D HN 0.144 nan 8.370 nan 0.000 0.478 107 Q N 0.188 119.989 119.800 0.002 0.000 2.482 107 Q HA 0.024 4.364 4.340 0.000 0.000 0.209 107 Q C -0.032 175.974 176.000 0.010 0.000 0.961 107 Q CA 0.271 56.079 55.803 0.008 0.000 0.945 107 Q CB -0.060 28.687 28.738 0.014 0.000 1.012 107 Q HN 0.360 nan 8.270 nan 0.000 0.515 108 N N -0.256 118.447 118.700 0.005 0.000 2.780 108 N HA -0.127 4.613 4.740 0.000 0.000 0.247 108 N C -1.185 174.339 175.510 0.024 0.000 1.076 108 N CA 0.351 53.406 53.050 0.008 0.000 0.688 108 N CB -1.629 36.866 38.487 0.014 0.000 0.957 108 N HN -0.015 nan 8.380 nan 0.000 0.551 109 V N 1.661 121.588 119.914 0.021 0.000 2.350 109 V HA 0.129 4.249 4.120 0.000 0.000 0.276 109 V C 0.982 177.101 176.094 0.041 0.000 1.028 109 V CA -0.732 61.594 62.300 0.044 0.000 0.860 109 V CB 1.437 33.288 31.823 0.046 0.000 0.990 109 V HN 0.324 nan 8.190 nan 0.000 0.453 110 H N 8.025 127.098 119.070 0.005 0.000 3.001 110 H HA 0.036 4.592 4.556 0.000 0.000 0.334 110 H C -1.697 173.630 175.328 -0.002 0.000 1.034 110 H CA -1.052 54.997 56.048 0.002 0.000 1.420 110 H CB 1.684 31.447 29.762 0.002 0.000 1.405 110 H HN 0.376 nan 8.280 nan 0.000 0.593 111 P HA -0.173 nan 4.420 nan 0.000 0.218 111 P C 1.502 178.856 177.300 0.091 0.000 1.146 111 P CA 1.699 64.740 63.100 -0.099 0.000 0.820 111 P CB 0.033 31.618 31.700 -0.191 0.000 0.778 112 T N -1.874 112.900 114.554 0.368 0.000 2.929 112 T HA -0.097 4.253 4.350 0.000 0.000 0.271 112 T C 1.505 176.275 174.700 0.116 0.000 1.085 112 T CA 0.847 63.077 62.100 0.218 0.000 1.125 112 T CB -0.472 68.483 68.868 0.145 0.000 0.874 112 T HN -0.146 nan 8.240 nan 0.000 0.494 113 I N 0.121 120.765 120.570 0.124 0.000 2.385 113 I HA 0.072 4.242 4.170 0.000 0.000 0.244 113 I C 2.562 178.730 176.117 0.086 0.000 1.089 113 I CA 0.651 62.001 61.300 0.083 0.000 1.410 113 I CB -1.528 36.521 38.000 0.082 0.000 1.117 113 I HN 0.113 nan 8.210 nan 0.000 0.429 114 V N 1.080 121.038 119.914 0.074 0.000 2.469 114 V HA -0.216 3.905 4.120 0.000 0.000 0.251 114 V C 2.547 178.675 176.094 0.056 0.000 1.064 114 V CA 1.587 63.931 62.300 0.074 0.000 1.066 114 V CB -0.085 31.698 31.823 -0.066 0.000 0.667 114 V HN 0.184 nan 8.190 nan 0.000 0.461 115 V N -0.081 119.846 119.914 0.022 0.000 2.427 115 V HA -0.234 3.886 4.120 0.000 0.000 0.248 115 V C 2.391 178.531 176.094 0.076 0.000 1.051 115 V CA 2.490 64.807 62.300 0.028 0.000 1.048 115 V CB -0.679 31.155 31.823 0.018 0.000 0.666 115 V HN 0.608 nan 8.190 nan 0.000 0.456 116 K N 0.204 120.647 120.400 0.070 0.000 2.021 116 K HA -0.068 4.252 4.320 0.000 0.000 0.205 116 K C 2.191 178.817 176.600 0.044 0.000 1.047 116 K CA 1.423 57.737 56.287 0.046 0.000 0.943 116 K CB -0.537 31.979 32.500 0.027 0.000 0.725 116 K HN 0.439 nan 8.250 nan 0.000 0.439 117 G N -0.205 108.640 108.800 0.076 0.000 2.408 117 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 117 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 117 G C 1.147 176.038 174.900 -0.015 0.000 1.150 117 G CA 0.668 45.780 45.100 0.019 0.000 0.776 117 G HN 0.285 nan 8.290 nan 0.000 0.542 118 Y N 0.410 120.680 120.300 -0.050 0.000 2.293 118 Y HA -0.078 4.472 4.550 0.000 0.000 0.291 118 Y C 2.982 178.780 175.900 -0.170 0.000 1.137 118 Y CA 1.370 59.435 58.100 -0.058 0.000 1.202 118 Y CB -0.096 38.428 38.460 0.106 0.000 0.990 118 Y HN 0.195 nan 8.280 nan 0.000 0.537 119 Q N 0.368 120.204 119.800 0.060 0.000 2.049 119 Q HA -0.141 4.199 4.340 0.000 0.000 0.198 119 Q C 2.397 178.352 176.000 -0.075 0.000 0.971 119 Q CA 1.494 57.299 55.803 0.003 0.000 0.833 119 Q CB -0.315 28.439 28.738 0.027 0.000 0.896 119 Q HN 0.444 nan 8.270 nan 0.000 0.434 120 A N 0.920 123.691 122.820 -0.082 0.000 1.877 120 A HA -0.086 4.234 4.320 0.000 0.000 0.216 120 A C 2.326 179.879 177.584 -0.051 0.000 1.186 120 A CA 2.175 54.183 52.037 -0.048 0.000 0.620 120 A CB -0.917 18.028 19.000 -0.090 0.000 0.822 120 A HN 0.495 nan 8.150 nan 0.000 0.443 121 A N -0.355 122.284 122.820 -0.302 0.000 1.930 121 A HA 0.222 4.542 4.320 0.000 0.000 0.217 121 A C 2.479 179.595 177.584 -0.779 0.000 1.175 121 A CA 1.941 53.658 52.037 -0.533 0.000 0.627 121 A CB -0.916 17.510 19.000 -0.956 0.000 0.815 121 A HN 1.018 nan 8.150 nan 0.000 0.443 122 A N -0.785 121.510 122.820 -0.875 0.000 1.898 122 A HA -0.195 4.125 4.320 0.000 0.000 0.216 122 A C 2.186 179.706 177.584 -0.107 0.000 1.181 122 A CA 1.737 53.561 52.037 -0.356 0.000 0.620 122 A CB -0.558 18.384 19.000 -0.097 0.000 0.819 122 A HN 0.642 nan 8.150 nan 0.000 0.442 123 Q N -0.701 119.042 119.800 -0.095 0.000 2.119 123 Q HA -0.224 4.116 4.340 0.000 0.000 0.201 123 Q C 2.017 177.989 176.000 -0.048 0.000 0.972 123 Q CA 1.900 57.681 55.803 -0.037 0.000 0.847 123 Q CB -0.062 28.667 28.738 -0.015 0.000 0.903 123 Q HN 0.452 nan 8.270 nan 0.000 0.433 124 K N 0.271 120.627 120.400 -0.073 0.000 2.103 124 K HA 0.002 4.322 4.320 0.000 0.000 0.204 124 K C 1.698 178.247 176.600 -0.086 0.000 1.052 124 K CA 1.301 57.504 56.287 -0.140 0.000 0.945 124 K CB -0.472 31.855 32.500 -0.288 0.000 0.722 124 K HN 0.266 nan 8.250 nan 0.000 0.443 125 A N 0.698 123.498 122.820 -0.033 0.000 1.933 125 A HA -0.227 4.093 4.320 0.000 0.000 0.218 125 A C 2.205 179.812 177.584 0.039 0.000 1.175 125 A CA 1.833 53.901 52.037 0.053 0.000 0.628 125 A CB -0.637 18.483 19.000 0.199 0.000 0.814 125 A HN 0.580 nan 8.150 nan 0.000 0.444 126 Q N -0.343 119.472 119.800 0.025 0.000 2.084 126 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 126 Q C 1.898 177.898 176.000 0.001 0.000 0.978 126 Q CA 1.824 57.639 55.803 0.020 0.000 0.844 126 Q CB -0.159 28.590 28.738 0.017 0.000 0.898 126 Q HN 0.788 nan 8.270 nan 0.000 0.426 127 E N 0.227 120.415 120.200 -0.020 0.000 2.110 127 E HA -0.168 4.182 4.350 0.000 0.000 0.193 127 E C 2.145 178.728 176.600 -0.028 0.000 0.988 127 E CA 1.042 57.423 56.400 -0.031 0.000 0.804 127 E CB -0.043 29.622 29.700 -0.058 0.000 0.745 127 E HN 0.393 nan 8.360 nan 0.000 0.458 128 L N 0.614 121.820 121.223 -0.030 0.000 2.056 128 L HA -0.188 4.152 4.340 0.000 0.000 0.207 128 L C 2.434 179.306 176.870 0.004 0.000 1.078 128 L CA 0.834 55.664 54.840 -0.017 0.000 0.749 128 L CB -0.344 41.706 42.059 -0.015 0.000 0.901 128 L HN 0.174 nan 8.230 nan 0.000 0.433 129 L N -0.378 120.852 121.223 0.011 0.000 2.046 129 L HA -0.211 4.129 4.340 0.000 0.000 0.208 129 L C 2.590 179.467 176.870 0.012 0.000 1.077 129 L CA 1.385 56.235 54.840 0.016 0.000 0.747 129 L CB -0.432 41.640 42.059 0.021 0.000 0.896 129 L HN 0.211 nan 8.230 nan 0.000 0.432 130 K N -0.809 119.595 120.400 0.006 0.000 2.217 130 K HA -0.080 4.240 4.320 0.000 0.000 0.202 130 K C 2.057 178.657 176.600 0.001 0.000 1.051 130 K CA 1.438 57.727 56.287 0.003 0.000 0.952 130 K CB -0.138 32.362 32.500 -0.000 0.000 0.736 130 K HN 0.275 nan 8.250 nan 0.000 0.453 131 T N 2.057 116.610 114.554 -0.002 0.000 2.737 131 T HA -0.076 4.274 4.350 0.000 0.000 0.265 131 T C 1.898 176.601 174.700 0.005 0.000 1.038 131 T CA 1.314 63.412 62.100 -0.003 0.000 1.144 131 T CB -0.147 68.715 68.868 -0.010 0.000 0.866 131 T HN 0.376 nan 8.240 nan 0.000 0.434 132 I N -0.029 120.549 120.570 0.014 0.000 3.251 132 I HA 0.395 4.565 4.170 0.000 0.000 0.277 132 I C 1.113 177.241 176.117 0.018 0.000 1.268 132 I CA -0.447 60.866 61.300 0.022 0.000 1.449 132 I CB -0.556 37.469 38.000 0.042 0.000 1.083 132 I HN -0.041 nan 8.210 nan 0.000 0.464 133 A N 1.576 124.404 122.820 0.014 0.000 2.566 133 A HA 0.123 4.443 4.320 0.000 0.000 0.245 133 A C 0.112 177.702 177.584 0.010 0.000 1.056 133 A CA -0.004 52.041 52.037 0.013 0.000 0.757 133 A CB -0.302 18.704 19.000 0.010 0.000 0.979 133 A HN 0.639 nan 8.150 nan 0.000 0.508 134 C N 3.472 122.778 119.300 0.011 0.000 2.295 134 C HA 0.481 4.941 4.460 0.000 0.000 0.331 134 C C 0.525 175.519 174.990 0.007 0.000 1.280 134 C CA -0.652 58.371 59.018 0.008 0.000 1.746 134 C CB -0.294 27.451 27.740 0.009 0.000 2.328 134 C HN 0.945 nan 8.230 nan 0.000 0.521 135 E N 3.806 124.009 120.200 0.005 0.000 2.366 135 E HA 0.424 4.774 4.350 0.000 0.000 0.266 135 E C -0.258 176.345 176.600 0.004 0.000 1.015 135 E CA -0.024 56.378 56.400 0.004 0.000 0.906 135 E CB 0.727 30.428 29.700 0.003 0.000 0.979 135 E HN 0.716 nan 8.360 nan 0.000 0.443 136 V N 1.049 120.966 119.914 0.005 0.000 3.102 136 V HA 0.718 4.838 4.120 0.000 0.000 0.312 136 V C 0.364 176.460 176.094 0.004 0.000 1.135 136 V CA -0.687 61.615 62.300 0.004 0.000 1.022 136 V CB 1.505 33.331 31.823 0.005 0.000 1.056 136 V HN 0.702 nan 8.190 nan 0.000 0.436 137 G N 0.525 109.327 108.800 0.003 0.000 2.313 137 G HA2 0.460 4.420 3.960 0.000 0.000 0.250 137 G HA3 0.460 4.420 3.960 0.000 0.000 0.250 137 G C 0.989 175.891 174.900 0.004 0.000 1.281 137 G CA 0.223 45.325 45.100 0.003 0.000 0.917 137 G HN 1.661 nan 8.290 nan 0.000 0.501 138 A N 2.539 125.361 122.820 0.004 0.000 1.908 138 A HA -0.092 4.228 4.320 0.000 0.000 0.218 138 A C 2.057 179.643 177.584 0.004 0.000 1.181 138 A CA 1.297 53.337 52.037 0.004 0.000 0.627 138 A CB -0.068 18.934 19.000 0.004 0.000 0.818 138 A HN 0.569 nan 8.150 nan 0.000 0.445 139 Q N -0.315 119.487 119.800 0.004 0.000 2.198 139 Q HA 0.058 4.398 4.340 0.000 0.000 0.209 139 Q C -0.733 175.269 176.000 0.004 0.000 0.848 139 Q CA -0.111 55.694 55.803 0.004 0.000 0.974 139 Q CB 0.079 28.820 28.738 0.005 0.000 1.115 139 Q HN 0.745 nan 8.270 nan 0.000 0.494 140 D N 1.144 121.546 120.400 0.004 0.000 2.389 140 D HA -0.050 4.590 4.640 0.000 0.000 0.263 140 D C 1.225 177.527 176.300 0.003 0.000 1.255 140 D CA 0.144 54.146 54.000 0.003 0.000 0.914 140 D CB 0.875 41.677 40.800 0.003 0.000 1.116 140 D HN -0.228 nan 8.370 nan 0.000 0.502 141 K N 3.627 124.029 120.400 0.003 0.000 2.015 141 K HA -0.300 4.020 4.320 0.000 0.000 0.220 141 K C 1.582 178.184 176.600 0.002 0.000 1.055 141 K CA 2.240 58.528 56.287 0.003 0.000 0.951 141 K CB -0.299 32.202 32.500 0.002 0.000 0.725 141 K HN 0.682 nan 8.250 nan 0.000 0.449 142 E N -0.545 119.655 120.200 0.001 0.000 2.048 142 E HA -0.243 4.107 4.350 0.000 0.000 0.202 142 E C 2.029 178.629 176.600 0.001 0.000 1.021 142 E CA 1.897 58.296 56.400 -0.001 0.000 0.825 142 E CB -0.325 29.375 29.700 -0.001 0.000 0.756 142 E HN 0.353 nan 8.360 nan 0.000 0.454 143 I N 0.360 120.932 120.570 0.002 0.000 2.493 143 I HA -0.183 3.987 4.170 0.000 0.000 0.254 143 I C 1.859 177.980 176.117 0.006 0.000 1.160 143 I CA 0.711 62.014 61.300 0.004 0.000 1.445 143 I CB 0.002 38.005 38.000 0.005 0.000 1.086 143 I HN 0.199 nan 8.210 nan 0.000 0.433 144 L N -0.103 121.123 121.223 0.005 0.000 2.156 144 L HA -0.094 4.246 4.340 0.000 0.000 0.208 144 L C 2.630 179.504 176.870 0.006 0.000 1.095 144 L CA 2.122 56.966 54.840 0.006 0.000 0.770 144 L CB -1.435 40.627 42.059 0.006 0.000 0.914 144 L HN 0.448 nan 8.230 nan 0.000 0.439 145 T N -4.405 110.152 114.554 0.004 0.000 2.942 145 T HA -0.107 4.243 4.350 0.000 0.000 0.265 145 T C 1.893 176.594 174.700 0.003 0.000 1.062 145 T CA 0.620 62.722 62.100 0.003 0.000 1.139 145 T CB -0.145 68.723 68.868 -0.000 0.000 0.883 145 T HN 0.185 nan 8.240 nan 0.000 0.468 146 K N 0.757 121.158 120.400 0.003 0.000 2.097 146 K HA 0.162 4.482 4.320 0.000 0.000 0.205 146 K C 2.157 178.765 176.600 0.014 0.000 1.050 146 K CA 1.105 57.395 56.287 0.005 0.000 0.938 146 K CB -0.334 32.168 32.500 0.004 0.000 0.718 146 K HN 0.373 nan 8.250 nan 0.000 0.442 147 I N 1.033 121.612 120.570 0.014 0.000 2.163 147 I HA -0.280 3.890 4.170 0.000 0.000 0.240 147 I C 2.530 178.659 176.117 0.020 0.000 1.081 147 I CA 1.145 62.456 61.300 0.018 0.000 1.353 147 I CB -0.393 37.616 38.000 0.014 0.000 1.054 147 I HN 0.132 nan 8.210 nan 0.000 0.407 148 A N 0.651 123.480 122.820 0.016 0.000 1.883 148 A HA -0.250 4.070 4.320 0.000 0.000 0.217 148 A C 2.380 179.976 177.584 0.021 0.000 1.186 148 A CA 1.861 53.908 52.037 0.016 0.000 0.624 148 A CB -0.636 18.371 19.000 0.012 0.000 0.822 148 A HN 0.340 nan 8.150 nan 0.000 0.444 149 M N -0.306 119.306 119.600 0.019 0.000 2.086 149 M HA -0.136 4.344 4.480 0.000 0.000 0.261 149 M C 2.449 178.778 176.300 0.048 0.000 1.067 149 M CA 2.094 57.408 55.300 0.023 0.000 1.116 149 M CB -0.780 31.822 32.600 0.004 0.000 1.348 149 M HN 0.711 nan 8.290 nan 0.000 0.407 150 T N -2.693 111.892 114.554 0.052 0.000 2.915 150 T HA -0.088 4.262 4.350 0.000 0.000 0.269 150 T C 1.869 176.609 174.700 0.066 0.000 1.071 150 T CA 1.547 63.695 62.100 0.080 0.000 1.132 150 T CB -0.448 68.462 68.868 0.069 0.000 0.878 150 T HN 0.317 nan 8.240 nan 0.000 0.479 151 S N 1.110 116.837 115.700 0.045 0.000 2.355 151 S HA 0.014 4.484 4.470 0.000 0.000 0.222 151 S C 2.007 176.630 174.600 0.038 0.000 1.031 151 S CA 0.875 59.096 58.200 0.035 0.000 0.993 151 S CB -0.619 62.596 63.200 0.025 0.000 0.859 151 S HN 0.598 nan 8.310 nan 0.000 0.453 152 I N 1.760 122.355 120.570 0.042 0.000 2.361 152 I HA -0.088 4.082 4.170 0.000 0.000 0.251 152 I C 1.307 177.460 176.117 0.060 0.000 1.133 152 I CA 0.876 62.202 61.300 0.044 0.000 1.413 152 I CB -0.897 37.128 38.000 0.040 0.000 1.073 152 I HN 0.444 nan 8.210 nan 0.000 0.424 153 T N -0.621 113.986 114.554 0.089 0.000 2.903 153 T HA 0.310 4.660 4.350 0.000 0.000 0.314 153 T C 1.179 175.912 174.700 0.055 0.000 1.078 153 T CA 0.103 62.277 62.100 0.124 0.000 1.114 153 T CB 1.250 70.265 68.868 0.245 0.000 0.987 153 T HN 0.595 nan 8.240 nan 0.000 0.548 154 G N 1.293 110.108 108.800 0.026 0.000 2.159 154 G HA2 -0.205 3.755 3.960 0.000 0.000 0.256 154 G HA3 -0.205 3.755 3.960 0.000 0.000 0.256 154 G C -0.077 174.824 174.900 0.002 0.000 0.977 154 G CA 0.412 45.503 45.100 -0.015 0.000 0.652 154 G HN 0.946 nan 8.290 nan 0.000 0.531 155 K N -0.990 119.423 120.400 0.021 0.000 2.395 155 K HA 0.595 4.915 4.320 0.000 0.000 0.247 155 K C 1.482 178.099 176.600 0.029 0.000 0.973 155 K CA -0.608 55.692 56.287 0.022 0.000 0.828 155 K CB 1.488 34.003 32.500 0.025 0.000 1.272 155 K HN 0.188 nan 8.250 nan 0.000 0.439 156 G N 0.626 109.442 108.800 0.027 0.000 2.462 156 G HA2 -0.275 3.685 3.960 0.000 0.000 0.220 156 G HA3 -0.275 3.685 3.960 0.000 0.000 0.220 156 G C 1.199 176.119 174.900 0.034 0.000 1.121 156 G CA 1.224 46.342 45.100 0.030 0.000 0.758 156 G HN 0.624 nan 8.290 nan 0.000 0.559 157 A N 1.297 124.137 122.820 0.034 0.000 2.168 157 A HA 0.100 4.420 4.320 0.000 0.000 0.215 157 A C 2.106 179.713 177.584 0.039 0.000 1.152 157 A CA 1.484 53.541 52.037 0.033 0.000 0.716 157 A CB -0.348 18.669 19.000 0.029 0.000 0.794 157 A HN 0.649 nan 8.150 nan 0.000 0.465 158 E N 1.495 121.725 120.200 0.051 0.000 2.267 158 E HA -0.301 4.049 4.350 0.000 0.000 0.197 158 E C 1.632 178.267 176.600 0.058 0.000 0.998 158 E CA 1.395 57.837 56.400 0.069 0.000 0.830 158 E CB -0.562 29.204 29.700 0.111 0.000 0.751 158 E HN 0.782 nan 8.360 nan 0.000 0.491 159 K N 0.928 121.357 120.400 0.048 0.000 2.218 159 K HA -0.108 4.212 4.320 0.000 0.000 0.205 159 K C 1.314 177.928 176.600 0.024 0.000 1.046 159 K CA 1.580 57.889 56.287 0.037 0.000 0.933 159 K CB -0.070 32.449 32.500 0.032 0.000 0.728 159 K HN 0.164 nan 8.250 nan 0.000 0.454 160 A N 1.696 124.530 122.820 0.023 0.000 2.674 160 A HA 0.167 4.487 4.320 0.000 0.000 0.286 160 A C 1.094 178.687 177.584 0.014 0.000 0.980 160 A CA -0.678 51.368 52.037 0.015 0.000 1.028 160 A CB 0.068 19.077 19.000 0.015 0.000 1.199 160 A HN 0.408 nan 8.150 nan 0.000 0.499 161 K N -0.132 120.278 120.400 0.016 0.000 2.280 161 K HA -0.150 4.170 4.320 0.000 0.000 0.202 161 K C 0.813 177.416 176.600 0.006 0.000 1.047 161 K CA 1.808 58.104 56.287 0.016 0.000 0.942 161 K CB -0.027 32.488 32.500 0.025 0.000 0.739 161 K HN 0.311 nan 8.250 nan 0.000 0.457 162 E N 1.549 121.748 120.200 -0.003 0.000 2.072 162 E HA -0.135 4.215 4.350 0.000 0.000 0.190 162 E C 1.886 178.485 176.600 -0.002 0.000 0.982 162 E CA 1.233 57.629 56.400 -0.008 0.000 0.803 162 E CB -0.037 29.654 29.700 -0.015 0.000 0.755 162 E HN 0.251 nan 8.360 nan 0.000 0.453 163 K N 0.650 121.051 120.400 0.002 0.000 2.097 163 K HA -0.029 4.291 4.320 0.000 0.000 0.205 163 K C 1.762 178.367 176.600 0.008 0.000 1.050 163 K CA 0.931 57.221 56.287 0.005 0.000 0.938 163 K CB -0.210 32.294 32.500 0.007 0.000 0.718 163 K HN 0.084 nan 8.250 nan 0.000 0.442 164 L N -0.166 121.063 121.223 0.010 0.000 2.056 164 L HA -0.087 4.253 4.340 0.000 0.000 0.207 164 L C 2.450 179.327 176.870 0.010 0.000 1.078 164 L CA 1.203 56.050 54.840 0.012 0.000 0.749 164 L CB -0.635 41.432 42.059 0.015 0.000 0.901 164 L HN 0.254 nan 8.230 nan 0.000 0.433 165 A N -0.156 122.669 122.820 0.009 0.000 1.933 165 A HA -0.264 4.056 4.320 0.000 0.000 0.218 165 A C 2.258 179.846 177.584 0.006 0.000 1.175 165 A CA 1.888 53.930 52.037 0.008 0.000 0.628 165 A CB -0.501 18.502 19.000 0.005 0.000 0.814 165 A HN 0.494 nan 8.150 nan 0.000 0.444 166 E N 0.319 120.522 120.200 0.005 0.000 2.031 166 E HA -0.203 4.147 4.350 0.000 0.000 0.193 166 E C 1.936 178.541 176.600 0.007 0.000 0.994 166 E CA 1.760 58.163 56.400 0.005 0.000 0.800 166 E CB -0.334 29.369 29.700 0.004 0.000 0.752 166 E HN 0.773 nan 8.360 nan 0.000 0.447 167 I N -1.661 118.914 120.570 0.009 0.000 2.676 167 I HA -0.065 4.105 4.170 0.000 0.000 0.259 167 I C 1.896 178.019 176.117 0.011 0.000 1.194 167 I CA 0.510 61.816 61.300 0.011 0.000 1.473 167 I CB -0.058 37.950 38.000 0.015 0.000 1.096 167 I HN 0.044 nan 8.210 nan 0.000 0.443 168 I N 0.838 121.413 120.570 0.010 0.000 2.406 168 I HA -0.101 4.069 4.170 0.000 0.000 0.249 168 I C 2.374 178.496 176.117 0.008 0.000 1.122 168 I CA 1.052 62.357 61.300 0.009 0.000 1.431 168 I CB -0.145 37.861 38.000 0.009 0.000 1.087 168 I HN 0.042 nan 8.210 nan 0.000 0.424 169 V N 0.186 120.104 119.914 0.008 0.000 2.453 169 V HA -0.158 3.962 4.120 0.000 0.000 0.247 169 V C 2.388 178.487 176.094 0.007 0.000 1.048 169 V CA 1.361 63.665 62.300 0.007 0.000 1.049 169 V CB -0.582 31.244 31.823 0.006 0.000 0.672 169 V HN 0.359 nan 8.190 nan 0.000 0.457 170 E N 0.525 120.730 120.200 0.008 0.000 2.106 170 E HA -0.139 4.211 4.350 0.000 0.000 0.192 170 E C 2.370 178.976 176.600 0.010 0.000 0.984 170 E CA 1.373 57.778 56.400 0.009 0.000 0.806 170 E CB -0.409 29.297 29.700 0.010 0.000 0.750 170 E HN 0.559 nan 8.360 nan 0.000 0.458 171 A N 1.089 123.914 122.820 0.009 0.000 1.902 171 A HA -0.146 4.175 4.320 0.000 0.000 0.217 171 A C 2.614 180.202 177.584 0.006 0.000 1.181 171 A CA 1.509 53.551 52.037 0.008 0.000 0.623 171 A CB -0.661 18.343 19.000 0.007 0.000 0.818 171 A HN 0.131 nan 8.150 nan 0.000 0.443 172 V N -0.335 119.583 119.914 0.006 0.000 2.307 172 V HA -0.193 3.927 4.120 0.000 0.000 0.245 172 V C 2.759 178.857 176.094 0.007 0.000 1.045 172 V CA 2.283 64.586 62.300 0.006 0.000 1.024 172 V CB -0.842 30.984 31.823 0.006 0.000 0.651 172 V HN 0.545 nan 8.190 nan 0.000 0.449 173 S N 0.186 115.891 115.700 0.008 0.000 2.400 173 S HA -0.166 4.304 4.470 0.000 0.000 0.232 173 S C 2.167 176.774 174.600 0.012 0.000 1.025 173 S CA 1.354 59.560 58.200 0.009 0.000 0.993 173 S CB -0.441 62.765 63.200 0.009 0.000 0.808 173 S HN 0.646 nan 8.310 nan 0.000 0.478 174 A N 1.172 123.999 122.820 0.012 0.000 1.873 174 A HA -0.043 4.277 4.320 0.000 0.000 0.215 174 A C 2.377 179.971 177.584 0.017 0.000 1.186 174 A CA 1.759 53.805 52.037 0.016 0.000 0.616 174 A CB -0.733 18.276 19.000 0.014 0.000 0.823 174 A HN 0.562 nan 8.150 nan 0.000 0.442 175 V N -3.414 116.506 119.914 0.011 0.000 3.174 175 V HA 0.052 4.172 4.120 0.000 0.000 0.254 175 V C 2.048 178.146 176.094 0.008 0.000 1.120 175 V CA 1.216 63.522 62.300 0.009 0.000 1.114 175 V CB -0.397 31.428 31.823 0.004 0.000 0.756 175 V HN 0.192 nan 8.190 nan 0.000 0.467 176 V N 0.735 120.653 119.914 0.007 0.000 2.626 176 V HA -0.125 3.995 4.120 0.000 0.000 0.252 176 V C 1.638 177.735 176.094 0.005 0.000 1.067 176 V CA 2.549 64.852 62.300 0.005 0.000 1.081 176 V CB -0.520 31.306 31.823 0.005 0.000 0.686 176 V HN 0.847 nan 8.190 nan 0.000 0.468 177 D N -0.729 119.675 120.400 0.008 0.000 4.438 177 D HA -0.222 4.418 4.640 0.000 0.000 0.158 177 D C 0.614 176.916 176.300 0.003 0.000 0.686 177 D CA 1.960 55.963 54.000 0.006 0.000 1.183 177 D CB -1.282 39.519 40.800 0.001 0.000 0.623 177 D HN 0.586 nan 8.370 nan 0.000 0.521 178 D N 1.133 121.532 120.400 -0.001 0.000 2.398 178 D HA 0.317 4.957 4.640 0.000 0.000 0.247 178 D C -0.311 175.988 176.300 -0.000 0.000 1.227 178 D CA 0.209 54.208 54.000 -0.002 0.000 0.980 178 D CB 0.493 41.290 40.800 -0.005 0.000 1.106 178 D HN 0.118 nan 8.370 nan 0.000 0.493 179 E N -0.409 119.791 120.200 -0.000 0.000 2.261 179 E HA 0.618 4.968 4.350 0.000 0.000 0.239 179 E C -0.236 176.364 176.600 0.000 0.000 0.991 179 E CA -0.485 55.916 56.400 0.001 0.000 0.847 179 E CB 0.970 30.671 29.700 0.001 0.000 1.223 179 E HN 0.509 nan 8.360 nan 0.000 0.446 180 G N 1.162 109.962 108.800 0.000 0.000 2.340 180 G HA2 0.359 4.319 3.960 0.000 0.000 0.300 180 G HA3 0.359 4.319 3.960 0.000 0.000 0.300 180 G C -1.719 173.181 174.900 0.001 0.000 1.488 180 G CA -0.906 44.194 45.100 0.001 0.000 0.878 180 G HN 0.074 nan 8.290 nan 0.000 0.618 181 K N 0.623 121.024 120.400 0.001 0.000 2.553 181 K HA 0.572 4.892 4.320 0.000 0.000 0.250 181 K C -1.328 175.273 176.600 0.001 0.000 0.953 181 K CA -0.522 55.765 56.287 0.001 0.000 0.800 181 K CB 2.151 34.651 32.500 -0.000 0.000 1.243 181 K HN 0.527 nan 8.250 nan 0.000 0.435 182 V N 3.294 123.208 119.914 0.002 0.000 2.398 182 V HA 0.304 4.424 4.120 0.000 0.000 0.286 182 V C -0.418 175.676 176.094 0.001 0.000 1.026 182 V CA -0.713 61.588 62.300 0.001 0.000 0.868 182 V CB 1.549 33.374 31.823 0.003 0.000 0.982 182 V HN 0.652 nan 8.190 nan 0.000 0.443 183 D N 3.478 123.878 120.400 -0.001 0.000 2.471 183 D HA 0.318 4.958 4.640 0.000 0.000 0.245 183 D C 0.739 177.037 176.300 -0.003 0.000 1.116 183 D CA -0.583 53.416 54.000 -0.002 0.000 0.853 183 D CB 1.792 42.590 40.800 -0.004 0.000 1.123 183 D HN 0.417 nan 8.370 nan 0.000 0.540 184 K N 1.990 122.388 120.400 -0.003 0.000 2.442 184 K HA -0.139 4.181 4.320 0.000 0.000 0.198 184 K C 0.916 177.511 176.600 -0.008 0.000 1.044 184 K CA 0.756 57.041 56.287 -0.005 0.000 0.948 184 K CB 0.262 32.760 32.500 -0.003 0.000 0.762 184 K HN 0.362 nan 8.250 nan 0.000 0.472 185 D N 0.331 120.726 120.400 -0.009 0.000 2.219 185 D HA -0.113 4.527 4.640 0.000 0.000 0.205 185 D C 1.076 177.365 176.300 -0.017 0.000 0.970 185 D CA 0.708 54.700 54.000 -0.014 0.000 0.851 185 D CB 0.242 41.034 40.800 -0.013 0.000 0.943 185 D HN -0.027 nan 8.370 nan 0.000 0.488 186 L N 0.524 121.738 121.223 -0.014 0.000 2.612 186 L HA 0.246 4.586 4.340 0.000 0.000 0.230 186 L C 0.056 176.916 176.870 -0.016 0.000 1.140 186 L CA 0.471 55.301 54.840 -0.016 0.000 0.896 186 L CB -0.525 41.528 42.059 -0.010 0.000 1.065 186 L HN 0.161 nan 8.230 nan 0.000 0.447 187 I N 0.318 120.879 120.570 -0.015 0.000 2.437 187 I HA 0.196 4.366 4.170 0.000 0.000 0.279 187 I C 0.320 176.426 176.117 -0.019 0.000 1.028 187 I CA -0.351 60.941 61.300 -0.014 0.000 1.142 187 I CB 1.697 39.692 38.000 -0.007 0.000 1.266 187 I HN -0.038 nan 8.210 nan 0.000 0.461 188 K N 6.465 126.848 120.400 -0.027 0.000 2.174 188 K HA 0.478 4.798 4.320 0.000 0.000 0.275 188 K C -0.708 175.874 176.600 -0.030 0.000 1.015 188 K CA -0.543 55.723 56.287 -0.035 0.000 0.933 188 K CB 1.062 33.530 32.500 -0.053 0.000 1.025 188 K HN 0.438 nan 8.250 nan 0.000 0.463 189 I N 4.693 125.246 120.570 -0.029 0.000 2.337 189 I HA 0.238 4.408 4.170 0.000 0.000 0.285 189 I C -0.153 175.946 176.117 -0.030 0.000 1.041 189 I CA -0.406 60.881 61.300 -0.022 0.000 1.199 189 I CB 0.956 38.946 38.000 -0.016 0.000 1.370 189 I HN 0.610 nan 8.210 nan 0.000 0.470 190 E N 6.318 126.499 120.200 -0.031 0.000 2.202 190 E HA 0.517 4.867 4.350 0.000 0.000 0.272 190 E C -0.362 176.227 176.600 -0.019 0.000 0.951 190 E CA -0.643 55.735 56.400 -0.037 0.000 0.813 190 E CB 2.953 32.616 29.700 -0.062 0.000 1.151 190 E HN 0.506 nan 8.360 nan 0.000 0.398 191 K N 0.579 120.968 120.400 -0.018 0.000 2.468 191 K HA 0.674 4.994 4.320 0.000 0.000 0.252 191 K C -0.961 175.636 176.600 -0.005 0.000 0.932 191 K CA -1.050 55.232 56.287 -0.008 0.000 0.794 191 K CB 2.146 34.638 32.500 -0.014 0.000 1.241 191 K HN 0.132 nan 8.250 nan 0.000 0.428 192 K N 1.637 122.041 120.400 0.008 0.000 2.619 192 K HA 0.187 4.507 4.320 0.000 0.000 0.251 192 K C -1.086 175.526 176.600 0.020 0.000 0.987 192 K CA -0.322 55.974 56.287 0.014 0.000 0.844 192 K CB 1.811 34.327 32.500 0.027 0.000 1.237 192 K HN 0.835 nan 8.250 nan 0.000 0.447 193 S N 1.863 117.573 115.700 0.016 0.000 2.576 193 S HA 0.694 5.164 4.470 0.000 0.000 0.272 193 S C 0.496 175.111 174.600 0.025 0.000 1.352 193 S CA 0.326 58.539 58.200 0.022 0.000 1.021 193 S CB 0.698 63.912 63.200 0.024 0.000 0.887 193 S HN 1.339 nan 8.310 nan 0.000 0.542 194 G N -0.110 108.705 108.800 0.026 0.000 2.453 194 G HA2 0.504 4.464 3.960 0.000 0.000 0.665 194 G HA3 0.504 4.464 3.960 0.000 0.000 0.665 194 G C -0.132 174.782 174.900 0.023 0.000 1.411 194 G CA -0.131 44.983 45.100 0.024 0.000 0.889 194 G HN 2.322 nan 8.290 nan 0.000 0.651 195 A N -0.407 122.425 122.820 0.020 0.000 6.088 195 A HA 0.406 4.726 4.320 0.000 0.000 0.261 195 A C 1.369 178.964 177.584 0.018 0.000 2.138 195 A CA 2.037 54.085 52.037 0.017 0.000 0.708 195 A CB -1.814 17.196 19.000 0.018 0.000 1.068 195 A HN 2.924 nan 8.150 nan 0.000 0.364 196 S N -1.507 114.204 115.700 0.017 0.000 2.766 196 S HA 0.781 5.251 4.470 0.000 0.000 0.307 196 S C 1.071 175.683 174.600 0.019 0.000 1.121 196 S CA -0.086 58.125 58.200 0.017 0.000 0.980 196 S CB 1.089 64.297 63.200 0.014 0.000 1.159 196 S HN 1.124 nan 8.310 nan 0.000 0.546 197 I N 0.579 121.160 120.570 0.019 0.000 2.493 197 I HA -0.093 4.077 4.170 0.000 0.000 0.254 197 I C 2.166 178.293 176.117 0.017 0.000 1.160 197 I CA 1.434 62.746 61.300 0.019 0.000 1.445 197 I CB -0.493 37.519 38.000 0.020 0.000 1.086 197 I HN 0.780 nan 8.210 nan 0.000 0.433 198 D N 1.371 121.780 120.400 0.014 0.000 2.182 198 D HA -0.222 4.418 4.640 0.000 0.000 0.201 198 D C 1.386 177.694 176.300 0.013 0.000 0.986 198 D CA 1.378 55.385 54.000 0.012 0.000 0.847 198 D CB -0.024 40.781 40.800 0.009 0.000 0.942 198 D HN 0.340 nan 8.370 nan 0.000 0.467 199 D N -0.884 119.525 120.400 0.015 0.000 2.348 199 D HA -0.019 4.621 4.640 0.000 0.000 0.216 199 D C 0.246 176.561 176.300 0.024 0.000 0.970 199 D CA 0.508 54.518 54.000 0.017 0.000 0.889 199 D CB -0.067 40.743 40.800 0.017 0.000 0.912 199 D HN 0.093 nan 8.370 nan 0.000 0.524 200 T N 1.615 116.184 114.554 0.025 0.000 2.933 200 T HA 0.099 4.449 4.350 0.000 0.000 0.306 200 T C 0.271 174.989 174.700 0.031 0.000 1.045 200 T CA 0.281 62.399 62.100 0.030 0.000 1.143 200 T CB 0.339 69.221 68.868 0.024 0.000 1.003 200 T HN 0.312 nan 8.240 nan 0.000 0.540 201 E N 1.757 121.982 120.200 0.042 0.000 2.408 201 E HA 0.602 4.952 4.350 0.000 0.000 0.275 201 E C -1.562 175.070 176.600 0.053 0.000 0.935 201 E CA -1.175 55.251 56.400 0.044 0.000 0.775 201 E CB 1.256 30.985 29.700 0.047 0.000 1.277 201 E HN 0.338 nan 8.360 nan 0.000 0.455 202 L N 1.965 123.215 121.223 0.044 0.000 2.289 202 L HA 0.477 4.817 4.340 0.000 0.000 0.285 202 L C -1.429 175.478 176.870 0.061 0.000 1.049 202 L CA -0.490 54.376 54.840 0.044 0.000 0.804 202 L CB 1.063 43.139 42.059 0.028 0.000 1.195 202 L HN 0.601 nan 8.230 nan 0.000 0.428 203 I N 5.079 125.693 120.570 0.073 0.000 2.354 203 I HA 0.290 4.460 4.170 0.000 0.000 0.286 203 I C 0.206 176.359 176.117 0.060 0.000 1.007 203 I CA -0.293 61.067 61.300 0.101 0.000 1.167 203 I CB 1.185 39.290 38.000 0.175 0.000 1.320 203 I HN 0.522 nan 8.210 nan 0.000 0.458 204 K N 6.047 126.476 120.400 0.050 0.000 2.054 204 K HA 0.474 4.794 4.320 0.000 0.000 0.242 204 K C 0.323 176.941 176.600 0.030 0.000 1.157 204 K CA 0.258 56.563 56.287 0.030 0.000 1.079 204 K CB -0.405 32.107 32.500 0.020 0.000 1.331 204 K HN 0.947 nan 8.250 nan 0.000 0.317 205 G N 0.570 109.383 108.800 0.022 0.000 2.491 205 G HA2 0.061 4.021 3.960 0.000 0.000 0.183 205 G HA3 0.061 4.021 3.960 0.000 0.000 0.183 205 G C -1.647 173.243 174.900 -0.017 0.000 1.221 205 G CA -0.646 44.459 45.100 0.010 0.000 0.996 205 G HN 0.171 nan 8.290 nan 0.000 0.474 206 V N 0.804 120.693 119.914 -0.041 0.000 2.487 206 V HA 0.704 4.824 4.120 0.000 0.000 0.298 206 V C -0.832 175.177 176.094 -0.143 0.000 1.028 206 V CA -0.595 61.644 62.300 -0.102 0.000 0.860 206 V CB 1.452 33.184 31.823 -0.153 0.000 0.991 206 V HN 0.945 nan 8.190 nan 0.000 0.427 207 L N 7.513 128.615 121.223 -0.201 0.000 2.305 207 L HA 0.838 5.178 4.340 0.000 0.000 0.284 207 L C -0.367 176.336 176.870 -0.279 0.000 1.013 207 L CA -0.174 54.447 54.840 -0.365 0.000 0.819 207 L CB 1.687 43.433 42.059 -0.522 0.000 1.227 207 L HN 0.581 nan 8.230 nan 0.000 0.417 208 V N 1.563 121.326 119.914 -0.252 0.000 2.715 208 V HA 0.632 4.752 4.120 0.000 0.000 0.310 208 V C -0.352 175.670 176.094 -0.120 0.000 1.054 208 V CA -0.517 61.691 62.300 -0.153 0.000 0.928 208 V CB 1.788 33.548 31.823 -0.106 0.000 1.007 208 V HN 0.823 nan 8.190 nan 0.000 0.437 209 D N 1.661 122.015 120.400 -0.076 0.000 3.134 209 D HA 0.253 4.893 4.640 0.000 0.000 0.248 209 D C 0.050 176.348 176.300 -0.004 0.000 1.273 209 D CA -0.185 53.788 54.000 -0.045 0.000 0.904 209 D CB -0.002 40.774 40.800 -0.040 0.000 1.089 209 D HN 0.504 nan 8.370 nan 0.000 0.478 210 K N 0.715 121.127 120.400 0.021 0.000 2.306 210 K HA 0.412 4.732 4.320 0.000 0.000 0.236 210 K C 0.524 177.156 176.600 0.053 0.000 1.013 210 K CA -0.650 55.669 56.287 0.054 0.000 0.857 210 K CB 2.338 34.907 32.500 0.114 0.000 1.214 210 K HN 0.359 nan 8.250 nan 0.000 0.449 211 E N 0.930 121.155 120.200 0.042 0.000 2.359 211 E HA 0.361 4.711 4.350 0.000 0.000 0.266 211 E C -0.686 175.919 176.600 0.010 0.000 0.920 211 E CA -0.933 55.485 56.400 0.030 0.000 0.788 211 E CB 1.283 30.997 29.700 0.023 0.000 1.279 211 E HN 0.213 nan 8.360 nan 0.000 0.438 212 R N 1.371 121.872 120.500 0.002 0.000 2.296 212 R HA 0.097 4.437 4.340 0.000 0.000 0.323 212 R C 1.379 177.671 176.300 -0.013 0.000 1.067 212 R CA 0.230 56.318 56.100 -0.020 0.000 0.946 212 R CB 0.419 30.708 30.300 -0.018 0.000 0.991 212 R HN 0.568 nan 8.270 nan 0.000 0.448 213 V N 0.011 119.913 119.914 -0.020 0.000 2.720 213 V HA -0.090 4.030 4.120 0.000 0.000 0.256 213 V C 0.922 177.014 176.094 -0.004 0.000 1.082 213 V CA 1.149 63.444 62.300 -0.009 0.000 1.101 213 V CB -0.255 31.562 31.823 -0.009 0.000 0.693 213 V HN 0.520 nan 8.190 nan 0.000 0.479 214 S N -1.078 114.619 115.700 -0.005 0.000 2.526 214 S HA 0.777 5.247 4.470 0.000 0.000 0.293 214 S C 0.897 175.495 174.600 -0.004 0.000 1.092 214 S CA -0.135 58.063 58.200 -0.002 0.000 0.980 214 S CB 1.875 65.083 63.200 0.013 0.000 1.048 214 S HN 0.708 nan 8.310 nan 0.000 0.483 215 A N 2.949 125.764 122.820 -0.009 0.000 2.019 215 A HA -0.082 4.238 4.320 0.000 0.000 0.219 215 A C 1.907 179.490 177.584 -0.001 0.000 1.164 215 A CA 1.719 53.752 52.037 -0.006 0.000 0.644 215 A CB -0.650 18.342 19.000 -0.012 0.000 0.805 215 A HN 0.901 nan 8.150 nan 0.000 0.449 216 Q N -1.087 118.716 119.800 0.005 0.000 2.389 216 Q HA 0.130 4.470 4.340 0.000 0.000 0.204 216 Q C 0.491 176.503 176.000 0.020 0.000 0.944 216 Q CA -0.097 55.718 55.803 0.020 0.000 0.908 216 Q CB -0.098 28.668 28.738 0.046 0.000 1.002 216 Q HN 0.675 nan 8.270 nan 0.000 0.493 217 M N 2.286 121.892 119.600 0.011 0.000 2.243 217 M HA 0.186 4.666 4.480 0.000 0.000 0.341 217 M C -2.026 174.271 176.300 -0.005 0.000 1.130 217 M CA -1.787 53.513 55.300 -0.001 0.000 1.162 217 M CB 0.404 32.996 32.600 -0.014 0.000 1.497 217 M HN -0.044 nan 8.290 nan 0.000 0.456 218 P HA 0.007 nan 4.420 nan 0.000 0.266 218 P C -0.515 176.780 177.300 -0.009 0.000 1.193 218 P CA 0.312 63.406 63.100 -0.010 0.000 0.770 218 P CB 0.442 32.133 31.700 -0.015 0.000 0.836 219 K N 0.943 121.343 120.400 -0.001 0.000 2.367 219 K HA 0.108 4.428 4.320 0.000 0.000 0.194 219 K C 0.510 177.117 176.600 0.012 0.000 1.027 219 K CA 0.349 56.640 56.287 0.006 0.000 1.075 219 K CB 0.349 32.854 32.500 0.009 0.000 0.845 219 K HN 0.330 nan 8.250 nan 0.000 0.529 220 K N 0.972 121.376 120.400 0.006 0.000 2.550 220 K HA 0.257 4.577 4.320 0.000 0.000 0.252 220 K C -1.835 174.767 176.600 0.004 0.000 0.943 220 K CA -0.495 55.798 56.287 0.010 0.000 0.806 220 K CB 2.086 34.589 32.500 0.005 0.000 1.289 220 K HN -0.239 nan 8.250 nan 0.000 0.435 221 V N 2.886 122.806 119.914 0.010 0.000 2.531 221 V HA 0.448 4.568 4.120 0.000 0.000 0.301 221 V C -0.278 175.824 176.094 0.013 0.000 1.034 221 V CA -0.716 61.587 62.300 0.006 0.000 0.865 221 V CB 1.755 33.578 31.823 0.001 0.000 0.995 221 V HN 0.936 nan 8.190 nan 0.000 0.424 222 T N -0.086 114.472 114.554 0.007 0.000 2.859 222 T HA 0.557 4.907 4.350 0.000 0.000 0.281 222 T C -0.004 174.700 174.700 0.007 0.000 1.005 222 T CA -0.333 61.771 62.100 0.007 0.000 1.025 222 T CB 1.300 70.169 68.868 0.002 0.000 0.977 222 T HN 0.778 nan 8.240 nan 0.000 0.458 223 D N 0.665 121.070 120.400 0.008 0.000 2.697 223 D HA -0.147 4.493 4.640 0.000 0.000 0.238 223 D C 0.332 176.639 176.300 0.012 0.000 1.152 223 D CA 0.867 54.872 54.000 0.008 0.000 0.666 223 D CB -1.224 39.578 40.800 0.003 0.000 1.037 223 D HN 1.118 nan 8.370 nan 0.000 0.423 224 A N 1.482 124.314 122.820 0.020 0.000 2.462 224 A HA 0.409 4.729 4.320 0.000 0.000 0.243 224 A C 0.491 178.092 177.584 0.029 0.000 1.076 224 A CA 0.126 52.178 52.037 0.026 0.000 0.773 224 A CB 0.605 19.632 19.000 0.045 0.000 1.010 224 A HN 0.159 nan 8.150 nan 0.000 0.493 225 K N 2.634 123.048 120.400 0.023 0.000 2.389 225 K HA 0.419 4.739 4.320 0.000 0.000 0.261 225 K C -1.318 175.303 176.600 0.035 0.000 1.014 225 K CA -0.163 56.139 56.287 0.024 0.000 0.920 225 K CB 1.068 33.574 32.500 0.010 0.000 1.149 225 K HN 0.529 nan 8.250 nan 0.000 0.444 226 I N 2.074 122.682 120.570 0.063 0.000 2.331 226 I HA 0.281 4.451 4.170 0.000 0.000 0.292 226 I C 0.279 176.452 176.117 0.093 0.000 0.998 226 I CA -0.317 61.048 61.300 0.109 0.000 1.267 226 I CB 1.613 39.718 38.000 0.176 0.000 1.386 226 I HN 0.502 nan 8.210 nan 0.000 0.476 227 A N 7.373 130.248 122.820 0.092 0.000 2.330 227 A HA 0.857 5.177 4.320 0.000 0.000 0.327 227 A C -0.763 176.893 177.584 0.120 0.000 1.155 227 A CA -0.560 51.521 52.037 0.075 0.000 0.803 227 A CB 0.731 19.751 19.000 0.033 0.000 1.208 227 A HN 0.674 nan 8.150 nan 0.000 0.477 228 L N 3.186 124.466 121.223 0.094 0.000 2.324 228 L HA 0.371 4.711 4.340 0.000 0.000 0.274 228 L C -1.256 175.653 176.870 0.064 0.000 1.012 228 L CA -0.552 54.347 54.840 0.098 0.000 0.859 228 L CB 1.037 43.135 42.059 0.065 0.000 1.224 228 L HN 0.499 nan 8.230 nan 0.000 0.429 229 L N 2.769 124.033 121.223 0.068 0.000 2.309 229 L HA 0.357 4.697 4.340 0.000 0.000 0.282 229 L C 0.739 177.634 176.870 0.043 0.000 1.036 229 L CA 0.210 55.077 54.840 0.045 0.000 0.806 229 L CB 1.493 43.574 42.059 0.036 0.000 1.220 229 L HN 0.421 nan 8.230 nan 0.000 0.429 230 N N 0.455 119.173 118.700 0.030 0.000 2.407 230 N HA 0.008 4.748 4.740 0.000 0.000 0.182 230 N C 0.124 175.647 175.510 0.022 0.000 1.079 230 N CA 0.011 53.077 53.050 0.025 0.000 0.882 230 N CB 0.377 38.875 38.487 0.019 0.000 1.106 230 N HN 0.586 nan 8.380 nan 0.000 0.461 231 C N 1.912 121.224 119.300 0.020 0.000 2.585 231 C HA 0.746 5.206 4.460 0.000 0.000 0.406 231 C C 0.843 175.845 174.990 0.019 0.000 1.312 231 C CA -0.959 58.070 59.018 0.018 0.000 1.924 231 C CB -1.440 26.310 27.740 0.016 0.000 2.578 231 C HN 0.507 nan 8.230 nan 0.000 0.580 232 A N 6.291 129.122 122.820 0.018 0.000 2.540 232 A HA 0.305 4.625 4.320 0.000 0.000 0.239 232 A C 0.327 177.923 177.584 0.019 0.000 1.061 232 A CA 0.121 52.169 52.037 0.019 0.000 0.758 232 A CB -0.046 18.964 19.000 0.017 0.000 0.991 232 A HN 0.898 nan 8.150 nan 0.000 0.502 233 I N 2.587 123.169 120.570 0.020 0.000 2.204 233 I HA 0.135 4.305 4.170 0.000 0.000 0.291 233 I C -0.057 176.075 176.117 0.025 0.000 1.153 233 I CA 0.614 61.928 61.300 0.022 0.000 1.546 233 I CB -0.557 37.455 38.000 0.021 0.000 1.490 233 I HN 0.627 nan 8.210 nan 0.000 0.697 234 E N 4.661 124.874 120.200 0.022 0.000 2.302 234 E HA 0.397 4.747 4.350 0.000 0.000 0.263 234 E C -0.989 175.623 176.600 0.019 0.000 0.897 234 E CA -0.599 55.814 56.400 0.021 0.000 0.809 234 E CB 2.045 31.756 29.700 0.018 0.000 1.270 234 E HN 0.235 nan 8.360 nan 0.000 0.410 235 E N 1.904 122.116 120.200 0.020 0.000 2.275 235 E HA 0.234 4.584 4.350 0.000 0.000 0.270 235 E C -0.740 175.869 176.600 0.014 0.000 0.882 235 E CA -0.611 55.799 56.400 0.017 0.000 0.758 235 E CB 2.269 31.980 29.700 0.019 0.000 1.195 235 E HN 0.287 nan 8.360 nan 0.000 0.419 236 T N 1.494 116.054 114.554 0.010 0.000 2.946 236 T HA 0.357 4.707 4.350 0.000 0.000 0.311 236 T C 0.181 174.884 174.700 0.005 0.000 1.063 236 T CA 0.842 62.947 62.100 0.007 0.000 1.139 236 T CB 0.284 69.156 68.868 0.006 0.000 0.994 236 T HN 0.732 nan 8.240 nan 0.000 0.547 237 A N 2.902 125.724 122.820 0.002 0.000 2.435 237 A HA -0.084 4.236 4.320 0.000 0.000 0.686 237 A C 1.365 178.945 177.584 -0.006 0.000 0.138 237 A CA 0.081 52.116 52.037 -0.003 0.000 0.024 237 A CB -1.532 17.466 19.000 -0.004 0.000 3.974 237 A HN 0.801 nan 8.150 nan 0.000 0.548 238 S N 0.525 116.214 115.700 -0.018 0.000 2.406 238 S HA -0.079 4.391 4.470 0.000 0.000 0.228 238 S C 1.689 176.262 174.600 -0.045 0.000 1.020 238 S CA 1.336 59.515 58.200 -0.035 0.000 0.965 238 S CB -0.173 62.994 63.200 -0.054 0.000 0.798 238 S HN 0.736 nan 8.310 nan 0.000 0.488 239 E N 1.135 121.313 120.200 -0.036 0.000 2.072 239 E HA -0.010 4.340 4.350 0.000 0.000 0.191 239 E C 1.962 178.559 176.600 -0.006 0.000 0.985 239 E CA 0.858 57.240 56.400 -0.031 0.000 0.801 239 E CB -0.233 29.453 29.700 -0.023 0.000 0.750 239 E HN 0.409 nan 8.360 nan 0.000 0.452 240 M N 0.013 119.614 119.600 0.000 0.000 2.200 240 M HA -0.065 4.415 4.480 0.000 0.000 0.265 240 M C 2.315 178.629 176.300 0.024 0.000 1.066 240 M CA 0.730 56.037 55.300 0.012 0.000 1.127 240 M CB -0.809 31.796 32.600 0.009 0.000 1.379 240 M HN 0.090 nan 8.290 nan 0.000 0.420 241 L N 0.669 121.907 121.223 0.024 0.000 2.072 241 L HA -0.069 4.271 4.340 0.000 0.000 0.205 241 L C 2.120 179.037 176.870 0.079 0.000 1.079 241 L CA 1.841 56.706 54.840 0.041 0.000 0.752 241 L CB -0.570 41.509 42.059 0.034 0.000 0.906 241 L HN 0.162 nan 8.230 nan 0.000 0.436 242 K N -0.674 119.772 120.400 0.077 0.000 2.283 242 K HA -0.170 4.150 4.320 0.000 0.000 0.202 242 K C 1.692 178.419 176.600 0.212 0.000 1.048 242 K CA 1.084 57.482 56.287 0.185 0.000 0.948 242 K CB -0.157 32.303 32.500 -0.067 0.000 0.742 242 K HN 0.315 nan 8.250 nan 0.000 0.458 243 D N 0.838 121.300 120.400 0.103 0.000 2.117 243 D HA -0.131 4.509 4.640 0.000 0.000 0.197 243 D C 1.796 178.134 176.300 0.064 0.000 0.987 243 D CA 1.101 55.148 54.000 0.077 0.000 0.829 243 D CB 0.174 40.999 40.800 0.043 0.000 0.961 243 D HN -0.012 nan 8.370 nan 0.000 0.460 244 M N -0.043 119.592 119.600 0.058 0.000 2.117 244 M HA -0.096 4.384 4.480 0.000 0.000 0.262 244 M C 2.332 178.647 176.300 0.024 0.000 1.065 244 M CA 0.640 55.962 55.300 0.037 0.000 1.114 244 M CB -0.879 31.742 32.600 0.036 0.000 1.361 244 M HN -0.017 nan 8.290 nan 0.000 0.408 245 V N 0.479 120.420 119.914 0.045 0.000 2.358 245 V HA -0.193 3.927 4.120 0.000 0.000 0.246 245 V C 2.717 178.751 176.094 -0.100 0.000 1.047 245 V CA 1.725 64.008 62.300 -0.027 0.000 1.035 245 V CB -1.332 30.495 31.823 0.006 0.000 0.658 245 V HN 0.474 nan 8.190 nan 0.000 0.452 246 A N -0.464 122.347 122.820 -0.015 0.000 1.930 246 A HA -0.222 4.098 4.320 0.000 0.000 0.217 246 A C 2.178 179.746 177.584 -0.025 0.000 1.175 246 A CA 1.753 53.778 52.037 -0.021 0.000 0.627 246 A CB -0.419 18.631 19.000 0.085 0.000 0.815 246 A HN 0.614 nan 8.150 nan 0.000 0.443 247 E N -0.388 119.809 120.200 -0.006 0.000 2.106 247 E HA -0.115 4.235 4.350 0.000 0.000 0.192 247 E C 1.837 178.426 176.600 -0.019 0.000 0.984 247 E CA 0.989 57.386 56.400 -0.006 0.000 0.806 247 E CB -0.250 29.453 29.700 0.005 0.000 0.750 247 E HN 0.709 nan 8.360 nan 0.000 0.458 248 I N 1.116 121.667 120.570 -0.032 0.000 2.179 248 I HA -0.281 3.889 4.170 0.000 0.000 0.242 248 I C 2.485 178.572 176.117 -0.050 0.000 1.088 248 I CA 1.058 62.335 61.300 -0.038 0.000 1.357 248 I CB -0.150 37.819 38.000 -0.050 0.000 1.051 248 I HN -0.021 nan 8.210 nan 0.000 0.409 249 K N 1.630 121.985 120.400 -0.076 0.000 2.057 249 K HA -0.124 4.196 4.320 0.000 0.000 0.207 249 K C 2.038 178.610 176.600 -0.047 0.000 1.049 249 K CA 1.727 57.967 56.287 -0.079 0.000 0.931 249 K CB -0.406 32.021 32.500 -0.121 0.000 0.714 249 K HN 0.276 nan 8.250 nan 0.000 0.440 250 A N -0.099 122.699 122.820 -0.036 0.000 1.933 250 A HA -0.122 4.198 4.320 0.000 0.000 0.218 250 A C 2.177 179.753 177.584 -0.014 0.000 1.175 250 A CA 2.090 54.115 52.037 -0.019 0.000 0.628 250 A CB -0.756 18.237 19.000 -0.010 0.000 0.814 250 A HN 0.366 nan 8.150 nan 0.000 0.444 251 S N -1.742 113.950 115.700 -0.014 0.000 2.474 251 S HA 0.247 4.717 4.470 0.000 0.000 0.235 251 S C 1.509 176.104 174.600 -0.008 0.000 0.997 251 S CA 1.159 59.354 58.200 -0.008 0.000 0.949 251 S CB -0.141 63.056 63.200 -0.005 0.000 0.766 251 S HN 1.679 nan 8.310 nan 0.000 0.517 252 G N 0.688 109.478 108.800 -0.015 0.000 2.159 252 G HA2 -0.128 3.832 3.960 0.000 0.000 0.227 252 G HA3 -0.128 3.832 3.960 0.000 0.000 0.227 252 G C 0.108 174.998 174.900 -0.017 0.000 0.986 252 G CA -0.176 44.915 45.100 -0.015 0.000 0.651 252 G HN 0.827 nan 8.290 nan 0.000 0.523 253 A N 0.038 122.845 122.820 -0.021 0.000 2.477 253 A HA 0.637 4.957 4.320 0.000 0.000 0.246 253 A C 1.106 178.668 177.584 -0.037 0.000 1.078 253 A CA 0.722 52.747 52.037 -0.021 0.000 0.770 253 A CB 0.216 19.204 19.000 -0.020 0.000 1.011 253 A HN 0.334 nan 8.150 nan 0.000 0.494 254 N N 0.609 119.290 118.700 -0.032 0.000 2.257 254 N HA 0.125 4.865 4.740 0.000 0.000 0.200 254 N C -0.679 174.794 175.510 -0.063 0.000 1.163 254 N CA 0.448 53.471 53.050 -0.044 0.000 0.891 254 N CB 1.047 39.516 38.487 -0.029 0.000 1.067 254 N HN 0.383 nan 8.380 nan 0.000 0.497 255 V N 2.511 122.388 119.914 -0.062 0.000 2.540 255 V HA 0.458 4.578 4.120 0.000 0.000 0.302 255 V C -0.695 175.312 176.094 -0.145 0.000 1.035 255 V CA -0.733 61.492 62.300 -0.125 0.000 0.873 255 V CB 2.992 34.781 31.823 -0.058 0.000 0.992 255 V HN 0.023 nan 8.190 nan 0.000 0.428 256 L N 5.631 126.682 121.223 -0.287 0.000 2.446 256 L HA 0.603 4.943 4.340 0.000 0.000 0.268 256 L C -1.829 174.830 176.870 -0.351 0.000 0.975 256 L CA -0.103 54.615 54.840 -0.203 0.000 0.848 256 L CB 1.469 43.454 42.059 -0.123 0.000 1.225 256 L HN 0.581 nan 8.230 nan 0.000 0.410 257 F N 4.419 124.366 119.950 -0.004 0.000 2.388 257 F HA 0.335 4.862 4.527 -0.000 0.000 0.358 257 F C 0.526 176.324 175.800 -0.004 0.000 1.122 257 F CA -0.407 57.590 58.000 -0.005 0.000 1.056 257 F CB 1.348 40.344 39.000 -0.007 0.000 1.155 257 F HN 0.445 nan 8.300 nan 0.000 0.461 258 C N 5.263 124.646 119.300 0.137 0.000 2.303 258 C HA 0.218 4.678 4.460 0.000 0.000 0.326 258 C C 1.629 176.670 174.990 0.085 0.000 1.285 258 C CA -0.463 58.605 59.018 0.084 0.000 1.675 258 C CB 0.643 28.409 27.740 0.042 0.000 2.289 258 C HN 0.952 nan 8.230 nan 0.000 0.512 259 Q N 3.201 123.040 119.800 0.066 0.000 2.124 259 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 259 Q C 1.089 177.110 176.000 0.035 0.000 0.977 259 Q CA 1.591 57.422 55.803 0.046 0.000 0.850 259 Q CB 0.198 28.954 28.738 0.030 0.000 0.901 259 Q HN 0.704 nan 8.270 nan 0.000 0.429 260 K N -0.711 119.708 120.400 0.031 0.000 2.842 260 K HA 0.349 4.669 4.320 0.000 0.000 0.310 260 K C 0.495 177.111 176.600 0.026 0.000 0.992 260 K CA 0.060 56.361 56.287 0.024 0.000 1.207 260 K CB -0.739 31.773 32.500 0.020 0.000 1.478 260 K HN 0.131 nan 8.250 nan 0.000 0.601 261 G N 0.260 109.072 108.800 0.021 0.000 2.562 261 G HA2 0.535 4.495 3.960 0.000 0.000 0.275 261 G HA3 0.535 4.495 3.960 0.000 0.000 0.275 261 G C -0.473 174.439 174.900 0.019 0.000 1.196 261 G CA -0.558 44.553 45.100 0.019 0.000 0.908 261 G HN 0.313 nan 8.290 nan 0.000 0.524 262 I N 0.678 121.259 120.570 0.018 0.000 2.478 262 I HA 0.166 4.336 4.170 0.000 0.000 0.287 262 I C -0.529 175.601 176.117 0.022 0.000 1.042 262 I CA -0.766 60.545 61.300 0.019 0.000 1.067 262 I CB 2.037 40.044 38.000 0.012 0.000 1.233 262 I HN 0.415 nan 8.210 nan 0.000 0.431 263 D N 4.932 125.349 120.400 0.027 0.000 2.414 263 D HA -0.049 4.591 4.640 0.000 0.000 0.242 263 D C 0.613 176.937 176.300 0.040 0.000 1.129 263 D CA 0.176 54.194 54.000 0.031 0.000 0.885 263 D CB 1.340 42.160 40.800 0.033 0.000 1.198 263 D HN 0.484 nan 8.370 nan 0.000 0.437 264 D N 2.791 123.212 120.400 0.036 0.000 2.158 264 D HA -0.185 4.455 4.640 0.000 0.000 0.197 264 D C 1.771 178.119 176.300 0.079 0.000 0.995 264 D CA 0.611 54.636 54.000 0.042 0.000 0.846 264 D CB -0.032 40.782 40.800 0.024 0.000 0.941 264 D HN 0.454 nan 8.370 nan 0.000 0.456 265 L N 0.188 121.460 121.223 0.082 0.000 2.056 265 L HA -0.140 4.200 4.340 0.000 0.000 0.207 265 L C 2.184 179.136 176.870 0.136 0.000 1.078 265 L CA 1.417 56.325 54.840 0.112 0.000 0.749 265 L CB -0.165 41.934 42.059 0.067 0.000 0.901 265 L HN -0.021 nan 8.230 nan 0.000 0.433 266 A N -0.638 122.245 122.820 0.105 0.000 1.933 266 A HA -0.251 4.069 4.320 0.000 0.000 0.218 266 A C 2.085 179.733 177.584 0.107 0.000 1.175 266 A CA 1.645 53.748 52.037 0.110 0.000 0.628 266 A CB -0.485 18.556 19.000 0.069 0.000 0.814 266 A HN 0.638 nan 8.150 nan 0.000 0.444 267 Q N -1.416 118.440 119.800 0.093 0.000 2.084 267 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 267 Q C 2.051 178.136 176.000 0.142 0.000 0.978 267 Q CA 1.630 57.480 55.803 0.079 0.000 0.844 267 Q CB -0.389 28.382 28.738 0.054 0.000 0.898 267 Q HN 0.944 nan 8.270 nan 0.000 0.426 268 H N -0.857 118.247 119.070 0.055 0.000 2.293 268 H HA -0.196 4.360 4.556 0.000 0.000 0.300 268 H C 1.942 177.351 175.328 0.134 0.000 1.082 268 H CA 1.175 57.265 56.048 0.070 0.000 1.308 268 H CB 0.113 29.909 29.762 0.057 0.000 1.375 268 H HN 0.238 nan 8.280 nan 0.000 0.495 269 Y N 1.304 121.599 120.300 -0.007 0.000 2.293 269 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 269 Y C 2.335 178.214 175.900 -0.036 0.000 1.137 269 Y CA 0.924 58.967 58.100 -0.094 0.000 1.202 269 Y CB -0.558 37.853 38.460 -0.082 0.000 0.990 269 Y HN 0.206 nan 8.280 nan 0.000 0.537 270 L N -0.576 120.642 121.223 -0.007 0.000 2.042 270 L HA -0.255 4.085 4.340 0.000 0.000 0.210 270 L C 2.713 179.543 176.870 -0.066 0.000 1.076 270 L CA 1.341 56.120 54.840 -0.100 0.000 0.749 270 L CB -0.881 41.149 42.059 -0.047 0.000 0.893 270 L HN 0.234 nan 8.230 nan 0.000 0.432 271 A N -0.163 122.667 122.820 0.017 0.000 1.933 271 A HA -0.212 4.108 4.320 0.000 0.000 0.218 271 A C 2.290 179.893 177.584 0.031 0.000 1.175 271 A CA 1.580 53.639 52.037 0.036 0.000 0.628 271 A CB -0.317 18.740 19.000 0.094 0.000 0.814 271 A HN 0.330 nan 8.150 nan 0.000 0.444 272 K N -0.405 120.024 120.400 0.048 0.000 2.211 272 K HA -0.067 4.253 4.320 0.000 0.000 0.203 272 K C 1.138 177.723 176.600 -0.024 0.000 1.050 272 K CA 1.110 57.425 56.287 0.046 0.000 0.945 272 K CB 0.024 32.604 32.500 0.133 0.000 0.732 272 K HN 0.391 nan 8.250 nan 0.000 0.451 273 E N -0.401 119.726 120.200 -0.122 0.000 2.479 273 E HA 0.027 4.377 4.350 0.000 0.000 0.193 273 E C 0.810 177.351 176.600 -0.097 0.000 1.049 273 E CA 0.381 56.686 56.400 -0.158 0.000 0.870 273 E CB 0.745 30.263 29.700 -0.304 0.000 0.944 273 E HN 0.448 nan 8.360 nan 0.000 0.492 274 G N 2.042 110.803 108.800 -0.066 0.000 2.160 274 G HA2 -0.288 3.672 3.960 0.000 0.000 0.251 274 G HA3 -0.288 3.672 3.960 0.000 0.000 0.251 274 G C 0.236 175.101 174.900 -0.058 0.000 1.008 274 G CA 0.178 45.251 45.100 -0.046 0.000 0.724 274 G HN 0.265 nan 8.290 nan 0.000 0.514 275 I N 0.941 121.464 120.570 -0.078 0.000 2.331 275 I HA 0.437 4.607 4.170 0.000 0.000 0.292 275 I C 0.985 177.052 176.117 -0.083 0.000 0.998 275 I CA -1.153 60.095 61.300 -0.087 0.000 1.267 275 I CB 1.632 39.567 38.000 -0.108 0.000 1.386 275 I HN 0.144 nan 8.210 nan 0.000 0.476 276 V N 3.750 123.606 119.914 -0.096 0.000 2.509 276 V HA 0.915 5.035 4.120 0.000 0.000 0.284 276 V C 0.049 176.035 176.094 -0.181 0.000 1.047 276 V CA -0.260 61.971 62.300 -0.115 0.000 0.952 276 V CB 1.161 32.919 31.823 -0.108 0.000 0.988 276 V HN 0.828 nan 8.190 nan 0.000 0.469 277 A N 3.606 126.324 122.820 -0.169 0.000 2.515 277 A HA 1.007 5.327 4.320 0.000 0.000 0.298 277 A C -0.350 177.131 177.584 -0.172 0.000 1.059 277 A CA -0.298 51.620 52.037 -0.197 0.000 0.698 277 A CB 1.858 20.790 19.000 -0.113 0.000 1.289 277 A HN 2.349 nan 8.150 nan 0.000 0.404 278 A N 1.756 124.459 122.820 -0.195 0.000 2.374 278 A HA 0.772 5.092 4.320 0.000 0.000 0.305 278 A C -0.082 177.504 177.584 0.003 0.000 1.053 278 A CA -0.674 51.320 52.037 -0.071 0.000 0.726 278 A CB 0.933 19.916 19.000 -0.027 0.000 1.229 278 A HN 1.237 nan 8.150 nan 0.000 0.431 279 R N 1.661 122.172 120.500 0.020 0.000 2.691 279 R HA 0.734 5.074 4.340 0.000 0.000 0.259 279 R C -0.401 175.926 176.300 0.046 0.000 1.048 279 R CA -0.787 55.333 56.100 0.033 0.000 1.086 279 R CB 0.446 30.758 30.300 0.020 0.000 1.166 279 R HN 0.523 nan 8.270 nan 0.000 0.526 280 R N -0.890 119.634 120.500 0.040 0.000 3.525 280 R HA -0.109 4.231 4.340 0.000 0.000 0.276 280 R C -0.745 175.580 176.300 0.041 0.000 1.116 280 R CA 0.537 56.657 56.100 0.033 0.000 0.745 280 R CB -2.607 27.708 30.300 0.024 0.000 1.185 280 R HN 0.534 nan 8.270 nan 0.000 0.454 281 V N 1.492 121.443 119.914 0.061 0.000 2.572 281 V HA 0.049 4.169 4.120 0.000 0.000 0.291 281 V C 1.475 177.582 176.094 0.023 0.000 1.039 281 V CA -0.173 62.166 62.300 0.065 0.000 1.055 281 V CB 1.234 33.131 31.823 0.123 0.000 0.969 281 V HN 0.147 nan 8.190 nan 0.000 0.482 282 K N 3.489 123.889 120.400 -0.001 0.000 2.484 282 K HA -0.046 4.274 4.320 0.000 0.000 0.280 282 K C 1.204 177.792 176.600 -0.021 0.000 1.013 282 K CA -0.135 56.144 56.287 -0.014 0.000 1.029 282 K CB 0.422 32.906 32.500 -0.027 0.000 0.902 282 K HN 0.607 nan 8.250 nan 0.000 0.481 283 K N 2.350 122.742 120.400 -0.014 0.000 2.103 283 K HA -0.168 4.152 4.320 0.000 0.000 0.207 283 K C 1.889 178.474 176.600 -0.026 0.000 1.048 283 K CA 2.049 58.328 56.287 -0.014 0.000 0.930 283 K CB -0.408 32.087 32.500 -0.008 0.000 0.716 283 K HN 0.577 nan 8.250 nan 0.000 0.444 284 S N 0.245 115.927 115.700 -0.030 0.000 2.368 284 S HA -0.144 4.326 4.470 0.000 0.000 0.225 284 S C 1.339 175.904 174.600 -0.058 0.000 1.030 284 S CA 1.655 59.832 58.200 -0.038 0.000 0.999 284 S CB -0.465 62.714 63.200 -0.035 0.000 0.844 284 S HN 0.394 nan 8.310 nan 0.000 0.459 285 D N 0.846 121.203 120.400 -0.072 0.000 2.218 285 D HA -0.036 4.604 4.640 0.000 0.000 0.204 285 D C 1.946 178.157 176.300 -0.148 0.000 0.976 285 D CA 0.795 54.725 54.000 -0.116 0.000 0.853 285 D CB -0.206 40.519 40.800 -0.125 0.000 0.939 285 D HN 0.390 nan 8.370 nan 0.000 0.481 286 M N 0.345 119.884 119.600 -0.101 0.000 2.117 286 M HA -0.105 4.375 4.480 0.000 0.000 0.262 286 M C 2.023 178.278 176.300 -0.075 0.000 1.065 286 M CA 1.013 56.261 55.300 -0.087 0.000 1.114 286 M CB -0.776 31.805 32.600 -0.032 0.000 1.361 286 M HN 0.047 nan 8.290 nan 0.000 0.408 287 E N 0.994 121.159 120.200 -0.059 0.000 2.150 287 E HA -0.155 4.195 4.350 0.000 0.000 0.193 287 E C 1.776 178.342 176.600 -0.057 0.000 0.985 287 E CA 1.041 57.414 56.400 -0.046 0.000 0.814 287 E CB 0.084 29.764 29.700 -0.034 0.000 0.752 287 E HN 0.488 nan 8.360 nan 0.000 0.466 288 K N 0.202 120.556 120.400 -0.077 0.000 2.057 288 K HA -0.070 4.250 4.320 0.000 0.000 0.206 288 K C 2.422 178.964 176.600 -0.098 0.000 1.050 288 K CA 0.999 57.236 56.287 -0.083 0.000 0.935 288 K CB -0.103 32.338 32.500 -0.099 0.000 0.715 288 K HN 0.157 nan 8.250 nan 0.000 0.439 289 L N 0.523 121.659 121.223 -0.144 0.000 2.093 289 L HA -0.153 4.187 4.340 0.000 0.000 0.208 289 L C 2.580 179.403 176.870 -0.079 0.000 1.085 289 L CA 0.936 55.680 54.840 -0.161 0.000 0.755 289 L CB -0.524 41.360 42.059 -0.292 0.000 0.904 289 L HN 0.199 nan 8.230 nan 0.000 0.435 290 A N -0.221 122.565 122.820 -0.057 0.000 1.898 290 A HA -0.167 4.153 4.320 0.000 0.000 0.216 290 A C 2.351 179.926 177.584 -0.015 0.000 1.181 290 A CA 1.350 53.373 52.037 -0.024 0.000 0.620 290 A CB -0.246 18.743 19.000 -0.019 0.000 0.819 290 A HN 0.172 nan 8.150 nan 0.000 0.442 291 K N -0.138 120.249 120.400 -0.022 0.000 2.057 291 K HA -0.013 4.307 4.320 0.000 0.000 0.206 291 K C 2.317 178.915 176.600 -0.003 0.000 1.050 291 K CA 1.290 57.571 56.287 -0.011 0.000 0.935 291 K CB -0.683 31.808 32.500 -0.016 0.000 0.715 291 K HN 0.442 nan 8.250 nan 0.000 0.439 292 A N 1.241 124.051 122.820 -0.016 0.000 1.832 292 A HA -0.140 4.181 4.320 0.000 0.000 0.214 292 A C 2.337 179.924 177.584 0.005 0.000 1.200 292 A CA 2.621 54.653 52.037 -0.009 0.000 0.610 292 A CB -1.075 17.907 19.000 -0.030 0.000 0.842 292 A HN 0.475 nan 8.150 nan 0.000 0.444 293 T N -4.203 110.351 114.554 -0.000 0.000 3.043 293 T HA 0.364 4.714 4.350 0.000 0.000 0.263 293 T C 1.419 176.134 174.700 0.025 0.000 1.094 293 T CA 1.221 63.331 62.100 0.015 0.000 1.127 293 T CB -0.129 68.753 68.868 0.023 0.000 0.905 293 T HN 1.862 nan 8.240 nan 0.000 0.490 294 G N 1.390 110.203 108.800 0.021 0.000 2.147 294 G HA2 -0.004 3.956 3.960 0.000 0.000 0.244 294 G HA3 -0.004 3.956 3.960 0.000 0.000 0.244 294 G C 0.215 175.128 174.900 0.022 0.000 1.005 294 G CA -0.037 45.078 45.100 0.024 0.000 0.713 294 G HN 1.171 nan 8.290 nan 0.000 0.515 295 A N -0.413 122.419 122.820 0.020 0.000 2.371 295 A HA 0.643 4.963 4.320 0.000 0.000 0.257 295 A C 0.384 177.979 177.584 0.019 0.000 1.089 295 A CA 0.278 52.331 52.037 0.026 0.000 0.794 295 A CB 0.522 19.545 19.000 0.038 0.000 1.029 295 A HN 0.755 nan 8.150 nan 0.000 0.488 296 N N 1.278 119.991 118.700 0.022 0.000 2.424 296 N HA 0.369 5.109 4.740 0.000 0.000 0.271 296 N C -0.916 174.605 175.510 0.020 0.000 0.985 296 N CA -0.344 52.716 53.050 0.016 0.000 0.921 296 N CB 1.273 39.769 38.487 0.015 0.000 1.149 296 N HN 0.280 nan 8.380 nan 0.000 0.492 297 V N 4.929 124.851 119.914 0.014 0.000 2.446 297 V HA 0.148 4.268 4.120 0.000 0.000 0.276 297 V C 0.481 176.584 176.094 0.016 0.000 1.030 297 V CA -0.169 62.141 62.300 0.016 0.000 1.033 297 V CB -0.834 30.994 31.823 0.009 0.000 0.993 297 V HN 0.579 nan 8.190 nan 0.000 0.477 298 I N 2.370 122.951 120.570 0.020 0.000 2.603 298 I HA 0.633 4.803 4.170 0.000 0.000 0.300 298 I C 0.662 176.789 176.117 0.016 0.000 1.017 298 I CA 0.106 61.416 61.300 0.016 0.000 1.098 298 I CB 1.964 39.974 38.000 0.017 0.000 1.279 298 I HN 0.341 nan 8.210 nan 0.000 0.437 299 T N 1.387 115.949 114.554 0.013 0.000 2.815 299 T HA 0.091 4.441 4.350 0.000 0.000 0.244 299 T C 0.727 175.435 174.700 0.013 0.000 1.040 299 T CA 0.873 62.980 62.100 0.013 0.000 1.176 299 T CB -0.259 68.615 68.868 0.010 0.000 0.880 299 T HN 0.677 nan 8.240 nan 0.000 0.414 300 N N 1.124 119.831 118.700 0.012 0.000 2.472 300 N HA 0.240 4.980 4.740 0.000 0.000 0.277 300 N C 0.873 176.391 175.510 0.012 0.000 1.081 300 N CA -0.129 52.928 53.050 0.011 0.000 0.973 300 N CB 0.673 39.166 38.487 0.010 0.000 1.105 300 N HN 0.175 nan 8.380 nan 0.000 0.470 301 I N 2.351 122.928 120.570 0.012 0.000 2.361 301 I HA -0.248 3.922 4.170 0.000 0.000 0.251 301 I C 2.020 178.143 176.117 0.010 0.000 1.133 301 I CA 0.857 62.164 61.300 0.012 0.000 1.413 301 I CB -0.042 37.966 38.000 0.013 0.000 1.073 301 I HN 0.510 nan 8.210 nan 0.000 0.424 302 K N 1.389 121.795 120.400 0.010 0.000 2.103 302 K HA -0.222 4.098 4.320 0.000 0.000 0.207 302 K C 1.332 177.937 176.600 0.008 0.000 1.048 302 K CA 1.782 58.075 56.287 0.009 0.000 0.930 302 K CB -0.232 32.274 32.500 0.009 0.000 0.716 302 K HN 0.252 nan 8.250 nan 0.000 0.444 303 D N -0.510 119.895 120.400 0.009 0.000 2.277 303 D HA -0.029 4.611 4.640 0.000 0.000 0.208 303 D C -0.170 176.135 176.300 0.009 0.000 0.962 303 D CA 0.173 54.178 54.000 0.008 0.000 0.865 303 D CB -0.012 40.793 40.800 0.009 0.000 0.939 303 D HN 0.089 nan 8.370 nan 0.000 0.510 304 L N 1.170 122.399 121.223 0.009 0.000 2.601 304 L HA 0.103 4.443 4.340 0.000 0.000 0.277 304 L C 0.160 177.034 176.870 0.007 0.000 1.219 304 L CA 0.310 55.156 54.840 0.009 0.000 0.915 304 L CB 0.047 42.112 42.059 0.009 0.000 1.160 304 L HN -0.008 nan 8.230 nan 0.000 0.494 305 S N 3.293 118.997 115.700 0.008 0.000 2.661 305 S HA 0.788 5.258 4.470 0.000 0.000 0.285 305 S C 0.774 175.378 174.600 0.007 0.000 1.138 305 S CA -0.393 57.811 58.200 0.006 0.000 0.855 305 S CB 1.270 64.474 63.200 0.006 0.000 1.136 305 S HN 0.841 nan 8.310 nan 0.000 0.484 306 A N 0.558 123.381 122.820 0.005 0.000 1.978 306 A HA -0.082 4.238 4.320 0.000 0.000 0.220 306 A C 1.991 179.581 177.584 0.009 0.000 1.170 306 A CA 1.349 53.389 52.037 0.006 0.000 0.636 306 A CB -0.868 18.135 19.000 0.004 0.000 0.810 306 A HN 0.735 nan 8.150 nan 0.000 0.448 307 Q N 0.058 119.864 119.800 0.009 0.000 2.437 307 Q HA -0.101 4.239 4.340 0.000 0.000 0.210 307 Q C 0.572 176.579 176.000 0.013 0.000 0.972 307 Q CA 1.063 56.872 55.803 0.011 0.000 0.903 307 Q CB -0.214 28.529 28.738 0.009 0.000 0.967 307 Q HN 0.671 nan 8.270 nan 0.000 0.486 308 D N -0.408 120.000 120.400 0.014 0.000 2.354 308 D HA 0.021 4.661 4.640 0.000 0.000 0.209 308 D C 0.069 176.382 176.300 0.022 0.000 1.015 308 D CA 0.012 54.022 54.000 0.017 0.000 0.867 308 D CB 0.465 41.275 40.800 0.016 0.000 0.933 308 D HN 0.104 nan 8.370 nan 0.000 0.520 309 L N 0.925 122.162 121.223 0.022 0.000 2.397 309 L HA 0.370 4.710 4.340 0.000 0.000 0.271 309 L C 1.218 178.106 176.870 0.030 0.000 1.148 309 L CA -0.102 54.755 54.840 0.028 0.000 0.825 309 L CB 1.160 43.232 42.059 0.022 0.000 1.117 309 L HN -0.176 nan 8.230 nan 0.000 0.456 310 G N 1.070 109.893 108.800 0.038 0.000 2.491 310 G HA2 0.555 4.515 3.960 0.000 0.000 0.327 310 G HA3 0.555 4.515 3.960 0.000 0.000 0.327 310 G C -1.329 173.594 174.900 0.038 0.000 1.189 310 G CA -0.414 44.708 45.100 0.037 0.000 0.956 310 G HN 0.570 nan 8.290 nan 0.000 0.491 311 D N -0.686 119.734 120.400 0.033 0.000 2.350 311 D HA 0.651 5.291 4.640 0.000 0.000 0.245 311 D C -0.201 176.115 176.300 0.026 0.000 1.036 311 D CA 0.140 54.157 54.000 0.027 0.000 0.848 311 D CB 2.007 42.818 40.800 0.018 0.000 1.307 311 D HN 0.610 nan 8.370 nan 0.000 0.469 312 A N 0.648 123.486 122.820 0.030 0.000 2.488 312 A HA 0.624 4.944 4.320 0.000 0.000 0.298 312 A C 1.000 178.599 177.584 0.026 0.000 1.044 312 A CA -0.498 51.558 52.037 0.031 0.000 0.693 312 A CB 1.509 20.542 19.000 0.055 0.000 1.272 312 A HN 0.585 nan 8.150 nan 0.000 0.402 313 G N 0.623 109.433 108.800 0.015 0.000 2.408 313 G HA2 0.245 4.205 3.960 0.000 0.000 0.217 313 G HA3 0.245 4.205 3.960 0.000 0.000 0.217 313 G C 0.393 175.305 174.900 0.020 0.000 1.150 313 G CA 0.888 45.994 45.100 0.010 0.000 0.776 313 G HN 0.612 nan 8.290 nan 0.000 0.542 314 L N 0.263 121.506 121.223 0.033 0.000 2.436 314 L HA 0.523 4.863 4.340 0.000 0.000 0.268 314 L C -1.383 175.533 176.870 0.077 0.000 0.974 314 L CA -0.806 54.060 54.840 0.043 0.000 0.826 314 L CB 3.083 45.161 42.059 0.032 0.000 1.291 314 L HN -0.222 nan 8.230 nan 0.000 0.406 315 V N 2.467 122.429 119.914 0.080 0.000 2.409 315 V HA 0.493 4.613 4.120 0.000 0.000 0.290 315 V C -0.578 175.574 176.094 0.098 0.000 1.017 315 V CA -0.442 61.929 62.300 0.118 0.000 0.841 315 V CB 1.833 33.728 31.823 0.119 0.000 1.003 315 V HN 0.783 nan 8.190 nan 0.000 0.426 316 E N 3.038 123.321 120.200 0.138 0.000 2.343 316 E HA 0.395 4.745 4.350 0.000 0.000 0.278 316 E C -1.155 175.545 176.600 0.167 0.000 0.910 316 E CA -0.659 55.806 56.400 0.108 0.000 0.757 316 E CB 2.351 32.085 29.700 0.057 0.000 1.218 316 E HN 0.747 nan 8.360 nan 0.000 0.435 317 E N 4.134 124.402 120.200 0.113 0.000 2.152 317 E HA 0.252 4.602 4.350 0.000 0.000 0.285 317 E C -0.942 175.725 176.600 0.112 0.000 1.043 317 E CA -0.256 56.221 56.400 0.127 0.000 0.839 317 E CB 0.672 30.416 29.700 0.072 0.000 1.069 317 E HN 0.322 nan 8.360 nan 0.000 0.399 318 R N 3.669 124.276 120.500 0.178 0.000 2.686 318 R HA 0.386 4.726 4.340 0.000 0.000 0.286 318 R C -0.739 175.647 176.300 0.144 0.000 0.969 318 R CA -0.911 55.252 56.100 0.105 0.000 0.898 318 R CB 2.008 32.289 30.300 -0.032 0.000 1.183 318 R HN 0.319 nan 8.270 nan 0.000 0.456 319 K N 2.418 122.864 120.400 0.076 0.000 2.211 319 K HA 0.379 4.699 4.320 0.000 0.000 0.275 319 K C -0.672 175.971 176.600 0.071 0.000 1.024 319 K CA -0.468 55.863 56.287 0.073 0.000 0.887 319 K CB 1.097 33.623 32.500 0.043 0.000 1.084 319 K HN 0.295 nan 8.250 nan 0.000 0.463 320 I N 2.042 122.666 120.570 0.090 0.000 2.390 320 I HA 0.068 4.239 4.170 0.000 0.000 0.283 320 I C -0.029 176.120 176.117 0.054 0.000 1.016 320 I CA -0.062 61.285 61.300 0.078 0.000 1.151 320 I CB 1.659 39.731 38.000 0.120 0.000 1.293 320 I HN 0.593 nan 8.210 nan 0.000 0.458 321 S N 4.345 120.068 115.700 0.039 0.000 3.698 321 S HA -0.178 4.292 4.470 0.000 0.000 0.338 321 S C 1.312 175.929 174.600 0.028 0.000 1.089 321 S CA 0.975 59.193 58.200 0.030 0.000 0.991 321 S CB -1.412 61.806 63.200 0.029 0.000 0.909 321 S HN 1.454 nan 8.310 nan 0.000 0.485 322 G N 0.640 109.458 108.800 0.029 0.000 2.579 322 G HA2 -0.287 3.673 3.960 0.000 0.000 0.222 322 G HA3 -0.287 3.673 3.960 0.000 0.000 0.222 322 G C -0.351 174.568 174.900 0.032 0.000 1.201 322 G CA 0.108 45.223 45.100 0.026 0.000 0.710 322 G HN 0.614 nan 8.290 nan 0.000 0.516 323 D N 2.482 122.903 120.400 0.034 0.000 2.401 323 D HA 0.435 5.075 4.640 0.000 0.000 0.254 323 D C 1.040 177.373 176.300 0.054 0.000 1.192 323 D CA 0.988 55.010 54.000 0.036 0.000 0.885 323 D CB 1.237 42.054 40.800 0.030 0.000 1.147 323 D HN 0.687 nan 8.370 nan 0.000 0.478 324 S N 2.596 118.327 115.700 0.052 0.000 2.565 324 S HA 0.584 5.054 4.470 0.000 0.000 0.274 324 S C 0.103 174.748 174.600 0.074 0.000 1.309 324 S CA -0.666 57.577 58.200 0.072 0.000 1.043 324 S CB 1.290 64.524 63.200 0.057 0.000 0.939 324 S HN 0.397 nan 8.310 nan 0.000 0.504 325 M N 2.059 121.729 119.600 0.117 0.000 2.593 325 M HA 0.509 4.989 4.480 0.000 0.000 0.290 325 M C -1.237 175.137 176.300 0.124 0.000 1.244 325 M CA -0.593 54.745 55.300 0.064 0.000 0.857 325 M CB 2.239 34.823 32.600 -0.027 0.000 1.738 325 M HN 0.566 nan 8.290 nan 0.000 0.461 326 I N 1.661 122.250 120.570 0.032 0.000 2.339 326 I HA 0.373 4.543 4.170 0.000 0.000 0.290 326 I C -1.364 174.751 176.117 -0.004 0.000 0.994 326 I CA -0.370 61.010 61.300 0.133 0.000 1.191 326 I CB 0.919 39.045 38.000 0.211 0.000 1.343 326 I HN 0.425 nan 8.210 nan 0.000 0.458 327 F N 5.909 125.905 119.950 0.075 0.000 2.405 327 F HA 0.365 4.892 4.527 0.000 0.000 0.355 327 F C 0.193 176.035 175.800 0.071 0.000 1.121 327 F CA -0.736 57.296 58.000 0.053 0.000 1.112 327 F CB 1.379 40.398 39.000 0.032 0.000 1.126 327 F HN 0.031 nan 8.300 nan 0.000 0.481 328 V N 4.352 124.368 119.914 0.170 0.000 2.275 328 V HA 0.316 4.436 4.120 0.000 0.000 0.272 328 V C -0.304 175.850 176.094 0.099 0.000 1.028 328 V CA -0.579 61.800 62.300 0.131 0.000 0.810 328 V CB 0.254 32.119 31.823 0.070 0.000 1.043 328 V HN 0.806 nan 8.190 nan 0.000 0.453 329 E N 3.000 123.266 120.200 0.110 0.000 2.378 329 E HA 0.679 5.029 4.350 0.000 0.000 0.265 329 E C -0.618 176.009 176.600 0.046 0.000 0.932 329 E CA -0.889 55.561 56.400 0.082 0.000 0.795 329 E CB 1.701 31.465 29.700 0.106 0.000 1.296 329 E HN 0.208 nan 8.360 nan 0.000 0.438 330 E N -0.842 119.373 120.200 0.025 0.000 2.596 330 E HA -0.147 4.203 4.350 0.000 0.000 0.272 330 E C -0.662 175.930 176.600 -0.014 0.000 1.039 330 E CA 0.514 56.915 56.400 0.001 0.000 0.804 330 E CB -2.241 27.461 29.700 0.002 0.000 1.373 330 E HN 0.597 nan 8.360 nan 0.000 0.404 331 C N 0.714 120.007 119.300 -0.012 0.000 2.689 331 C HA 0.067 4.527 4.460 0.000 0.000 0.409 331 C C 2.296 177.239 174.990 -0.079 0.000 1.293 331 C CA -0.076 58.928 59.018 -0.024 0.000 2.136 331 C CB 0.442 28.178 27.740 -0.007 0.000 2.719 331 C HN 0.384 nan 8.230 nan 0.000 0.644 332 K N 0.619 120.955 120.400 -0.107 0.000 1.969 332 K HA -0.090 4.230 4.320 0.000 0.000 0.216 332 K C 0.416 176.715 176.600 -0.502 0.000 1.048 332 K CA 1.378 57.498 56.287 -0.279 0.000 0.948 332 K CB -0.087 32.303 32.500 -0.183 0.000 0.726 332 K HN 0.686 nan 8.250 nan 0.000 0.442 333 H N 0.198 119.272 119.070 0.006 0.000 2.488 333 H HA 0.240 4.796 4.556 -0.000 0.000 0.237 333 H C -2.534 172.794 175.328 0.001 0.000 1.395 333 H CA -1.999 54.051 56.048 0.003 0.000 1.491 333 H CB 0.748 30.512 29.762 0.002 0.000 1.567 333 H HN 0.193 nan 8.280 nan 0.000 0.508 334 P HA 0.133 nan 4.420 nan 0.000 0.275 334 P C 0.266 177.591 177.300 0.040 0.000 1.227 334 P CA -0.512 62.611 63.100 0.038 0.000 0.781 334 P CB 1.807 33.516 31.700 0.014 0.000 0.906 335 K N 0.668 121.082 120.400 0.024 0.000 2.374 335 K HA 0.449 4.769 4.320 0.000 0.000 0.202 335 K C 0.286 176.887 176.600 0.002 0.000 1.040 335 K CA 0.039 56.335 56.287 0.015 0.000 1.085 335 K CB 0.696 33.203 32.500 0.011 0.000 0.873 335 K HN 0.534 nan 8.250 nan 0.000 0.539 336 A N 0.521 123.339 122.820 -0.004 0.000 2.449 336 A HA 0.686 5.006 4.320 0.000 0.000 0.302 336 A C -0.902 176.673 177.584 -0.014 0.000 1.048 336 A CA -0.771 51.257 52.037 -0.015 0.000 0.708 336 A CB 1.254 20.236 19.000 -0.030 0.000 1.274 336 A HN -0.004 nan 8.150 nan 0.000 0.410 337 V N -1.156 118.749 119.914 -0.014 0.000 3.074 337 V HA 0.978 5.098 4.120 0.000 0.000 0.314 337 V C -0.428 175.654 176.094 -0.020 0.000 1.117 337 V CA -0.585 61.709 62.300 -0.010 0.000 1.014 337 V CB 1.659 33.483 31.823 0.002 0.000 1.057 337 V HN 0.880 nan 8.190 nan 0.000 0.438 338 T N 3.305 117.849 114.554 -0.016 0.000 2.886 338 T HA 0.633 4.983 4.350 0.000 0.000 0.292 338 T C -0.558 174.140 174.700 -0.003 0.000 1.012 338 T CA -0.353 61.730 62.100 -0.028 0.000 0.982 338 T CB 1.493 70.320 68.868 -0.068 0.000 1.018 338 T HN 0.748 nan 8.240 nan 0.000 0.451 339 M N 3.402 122.999 119.600 -0.005 0.000 2.072 339 M HA 0.382 4.862 4.480 0.000 0.000 0.331 339 M C -0.954 175.352 176.300 0.011 0.000 1.004 339 M CA -0.905 54.403 55.300 0.013 0.000 0.952 339 M CB 1.325 33.931 32.600 0.010 0.000 1.511 339 M HN 0.343 nan 8.290 nan 0.000 0.422 340 L N 5.788 127.032 121.223 0.036 0.000 2.315 340 L HA 0.465 4.805 4.340 0.000 0.000 0.283 340 L C -0.796 176.100 176.870 0.042 0.000 1.089 340 L CA 0.251 55.117 54.840 0.042 0.000 0.833 340 L CB 0.247 42.369 42.059 0.105 0.000 1.170 340 L HN 0.557 nan 8.230 nan 0.000 0.442 341 I N 6.030 126.616 120.570 0.026 0.000 2.331 341 I HA 0.391 4.561 4.170 0.000 0.000 0.292 341 I C 0.336 176.469 176.117 0.027 0.000 0.998 341 I CA -0.421 60.893 61.300 0.023 0.000 1.267 341 I CB 0.734 38.742 38.000 0.013 0.000 1.386 341 I HN 0.611 nan 8.210 nan 0.000 0.476 342 R N 3.699 124.216 120.500 0.029 0.000 2.828 342 R HA 0.897 5.237 4.340 0.000 0.000 0.264 342 R C -0.350 175.964 176.300 0.024 0.000 1.022 342 R CA -0.969 55.148 56.100 0.028 0.000 1.021 342 R CB 2.206 32.524 30.300 0.031 0.000 1.163 342 R HN 0.843 nan 8.270 nan 0.000 0.494 343 G N -0.775 108.040 108.800 0.024 0.000 2.340 343 G HA2 0.032 3.992 3.960 0.000 0.000 0.298 343 G HA3 0.032 3.992 3.960 0.000 0.000 0.298 343 G C 0.033 174.949 174.900 0.027 0.000 1.498 343 G CA -0.677 44.438 45.100 0.025 0.000 0.847 343 G HN 0.398 nan 8.290 nan 0.000 0.594 344 T N 0.342 114.913 114.554 0.028 0.000 2.881 344 T HA 0.159 4.509 4.350 0.000 0.000 0.270 344 T C 0.917 175.638 174.700 0.035 0.000 1.068 344 T CA 2.098 64.214 62.100 0.028 0.000 1.131 344 T CB -0.179 68.704 68.868 0.025 0.000 0.871 344 T HN 0.674 nan 8.240 nan 0.000 0.479 345 T N 0.176 114.757 114.554 0.045 0.000 2.868 345 T HA 0.230 4.580 4.350 0.000 0.000 0.306 345 T C 0.358 175.098 174.700 0.067 0.000 1.224 345 T CA -0.798 61.341 62.100 0.065 0.000 1.012 345 T CB 2.435 71.352 68.868 0.082 0.000 1.221 345 T HN -0.179 nan 8.240 nan 0.000 0.499 346 E N 0.649 120.888 120.200 0.066 0.000 2.097 346 E HA -0.180 4.170 4.350 0.000 0.000 0.196 346 E C 1.564 178.138 176.600 -0.044 0.000 1.000 346 E CA 1.822 58.221 56.400 -0.003 0.000 0.804 346 E CB -0.107 29.569 29.700 -0.040 0.000 0.740 346 E HN 0.605 nan 8.360 nan 0.000 0.454 347 H N -0.495 118.579 119.070 0.007 0.000 2.457 347 H HA -0.026 4.530 4.556 -0.000 0.000 0.294 347 H C 2.120 177.452 175.328 0.007 0.000 1.064 347 H CA 0.952 57.003 56.048 0.006 0.000 1.330 347 H CB 0.114 29.880 29.762 0.005 0.000 1.395 347 H HN -0.061 nan 8.280 nan 0.000 0.541 348 V N 1.278 121.264 119.914 0.120 0.000 2.323 348 V HA -0.194 3.926 4.120 0.000 0.000 0.244 348 V C 2.320 178.439 176.094 0.042 0.000 1.041 348 V CA 1.805 64.147 62.300 0.070 0.000 1.025 348 V CB -0.471 31.385 31.823 0.055 0.000 0.656 348 V HN 0.544 nan 8.190 nan 0.000 0.451 349 I N -1.723 118.864 120.570 0.029 0.000 2.830 349 I HA -0.100 4.070 4.170 0.000 0.000 0.263 349 I C 2.109 178.226 176.117 0.000 0.000 1.230 349 I CA 1.429 62.736 61.300 0.013 0.000 1.480 349 I CB -0.578 37.426 38.000 0.008 0.000 1.095 349 I HN 0.303 nan 8.210 nan 0.000 0.455 350 E N 1.487 121.682 120.200 -0.009 0.000 2.072 350 E HA -0.247 4.103 4.350 0.000 0.000 0.191 350 E C 2.010 178.611 176.600 0.001 0.000 0.985 350 E CA 1.473 57.860 56.400 -0.021 0.000 0.801 350 E CB 0.008 29.676 29.700 -0.054 0.000 0.750 350 E HN 0.559 nan 8.360 nan 0.000 0.452 351 E N 0.605 120.817 120.200 0.019 0.000 2.106 351 E HA -0.130 4.220 4.350 0.000 0.000 0.192 351 E C 1.929 178.540 176.600 0.019 0.000 0.984 351 E CA 0.807 57.221 56.400 0.023 0.000 0.806 351 E CB 0.027 29.747 29.700 0.034 0.000 0.750 351 E HN 0.003 nan 8.360 nan 0.000 0.458 352 V N 0.951 120.876 119.914 0.019 0.000 2.343 352 V HA -0.240 3.880 4.120 0.000 0.000 0.247 352 V C 2.405 178.506 176.094 0.011 0.000 1.051 352 V CA 1.745 64.055 62.300 0.017 0.000 1.036 352 V CB -0.957 30.876 31.823 0.018 0.000 0.654 352 V HN 0.474 nan 8.190 nan 0.000 0.451 353 A N -0.127 122.696 122.820 0.006 0.000 1.940 353 A HA -0.202 4.118 4.320 0.000 0.000 0.219 353 A C 2.354 179.938 177.584 0.002 0.000 1.176 353 A CA 1.499 53.536 52.037 0.000 0.000 0.631 353 A CB -0.408 18.587 19.000 -0.007 0.000 0.814 353 A HN 0.416 nan 8.150 nan 0.000 0.446 354 R N -0.580 119.922 120.500 0.004 0.000 2.115 354 R HA 0.048 4.388 4.340 0.000 0.000 0.226 354 R C 2.388 178.693 176.300 0.009 0.000 1.100 354 R CA 1.207 57.310 56.100 0.006 0.000 0.980 354 R CB -0.940 29.364 30.300 0.007 0.000 0.875 354 R HN 0.527 nan 8.270 nan 0.000 0.445 355 A N 1.161 123.989 122.820 0.013 0.000 1.898 355 A HA -0.116 4.204 4.320 0.000 0.000 0.216 355 A C 2.269 179.862 177.584 0.015 0.000 1.181 355 A CA 1.799 53.846 52.037 0.017 0.000 0.620 355 A CB -0.522 18.491 19.000 0.021 0.000 0.819 355 A HN 0.209 nan 8.150 nan 0.000 0.442 356 V N -2.492 117.429 119.914 0.012 0.000 2.951 356 V HA -0.050 4.070 4.120 0.000 0.000 0.255 356 V C 1.834 177.932 176.094 0.007 0.000 1.088 356 V CA 2.091 64.397 62.300 0.010 0.000 1.109 356 V CB -0.544 31.284 31.823 0.009 0.000 0.724 356 V HN 0.392 nan 8.190 nan 0.000 0.471 357 D N 1.237 121.640 120.400 0.005 0.000 2.117 357 D HA -0.165 4.476 4.640 0.000 0.000 0.198 357 D C 1.764 178.067 176.300 0.005 0.000 0.982 357 D CA 1.727 55.728 54.000 0.002 0.000 0.828 357 D CB -0.133 40.667 40.800 0.001 0.000 0.967 357 D HN 0.488 nan 8.370 nan 0.000 0.464 358 D N -0.298 120.106 120.400 0.007 0.000 2.103 358 D HA -0.019 4.621 4.640 0.000 0.000 0.199 358 D C 1.955 178.261 176.300 0.010 0.000 0.978 358 D CA 1.386 55.391 54.000 0.009 0.000 0.829 358 D CB -0.472 40.334 40.800 0.011 0.000 0.981 358 D HN 0.241 nan 8.370 nan 0.000 0.464 359 A N 0.647 123.474 122.820 0.012 0.000 1.877 359 A HA -0.128 4.192 4.320 0.000 0.000 0.216 359 A C 2.380 179.970 177.584 0.010 0.000 1.186 359 A CA 1.286 53.331 52.037 0.013 0.000 0.620 359 A CB -0.904 18.105 19.000 0.015 0.000 0.822 359 A HN 0.181 nan 8.150 nan 0.000 0.443 360 V N -0.024 119.895 119.914 0.008 0.000 2.759 360 V HA -0.080 4.040 4.120 0.000 0.000 0.256 360 V C 2.298 178.396 176.094 0.006 0.000 1.080 360 V CA 2.088 64.392 62.300 0.006 0.000 1.101 360 V CB -0.676 31.150 31.823 0.004 0.000 0.698 360 V HN 0.570 nan 8.190 nan 0.000 0.477 361 G N -0.123 108.681 108.800 0.006 0.000 2.404 361 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 361 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 361 G C 1.618 176.522 174.900 0.007 0.000 1.189 361 G CA 1.328 46.432 45.100 0.006 0.000 0.789 361 G HN 0.661 nan 8.290 nan 0.000 0.533 362 V N -1.061 118.858 119.914 0.009 0.000 2.809 362 V HA -0.007 4.113 4.120 0.000 0.000 0.256 362 V C 2.630 178.730 176.094 0.010 0.000 1.080 362 V CA 1.122 63.428 62.300 0.010 0.000 1.102 362 V CB -0.426 31.404 31.823 0.012 0.000 0.705 362 V HN 0.118 nan 8.190 nan 0.000 0.475 363 V N 2.103 122.023 119.914 0.009 0.000 2.407 363 V HA -0.081 4.039 4.120 0.000 0.000 0.248 363 V C 2.850 178.948 176.094 0.007 0.000 1.055 363 V CA 2.319 64.624 62.300 0.008 0.000 1.049 363 V CB -1.326 30.502 31.823 0.008 0.000 0.662 363 V HN 0.629 nan 8.190 nan 0.000 0.455 364 G N -1.460 107.344 108.800 0.006 0.000 2.403 364 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 364 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 364 G C 1.717 176.621 174.900 0.006 0.000 1.154 364 G CA 1.143 46.246 45.100 0.005 0.000 0.784 364 G HN 0.529 nan 8.290 nan 0.000 0.538 365 C N 0.568 119.872 119.300 0.007 0.000 2.425 365 C HA -0.015 4.445 4.460 0.000 0.000 0.277 365 C C 3.192 178.187 174.990 0.007 0.000 1.280 365 C CA 1.536 60.559 59.018 0.007 0.000 1.744 365 C CB -0.918 26.828 27.740 0.008 0.000 1.989 365 C HN 0.412 nan 8.230 nan 0.000 0.491 366 T N 0.963 115.522 114.554 0.008 0.000 2.951 366 T HA 0.024 4.375 4.350 0.000 0.000 0.268 366 T C 1.552 176.256 174.700 0.006 0.000 1.073 366 T CA 0.957 63.061 62.100 0.008 0.000 1.134 366 T CB -0.196 68.677 68.868 0.008 0.000 0.884 366 T HN 0.497 nan 8.240 nan 0.000 0.479 367 I N 0.745 121.319 120.570 0.006 0.000 2.439 367 I HA -0.078 4.092 4.170 0.000 0.000 0.251 367 I C 2.467 178.586 176.117 0.004 0.000 1.139 367 I CA 1.191 62.493 61.300 0.005 0.000 1.438 367 I CB -0.201 37.802 38.000 0.005 0.000 1.085 367 I HN 0.298 nan 8.210 nan 0.000 0.427 368 E N 0.124 120.326 120.200 0.005 0.000 2.086 368 E HA -0.047 4.303 4.350 0.000 0.000 0.190 368 E C 0.004 176.607 176.600 0.004 0.000 0.975 368 E CA 0.661 57.063 56.400 0.004 0.000 0.813 368 E CB 0.281 29.983 29.700 0.004 0.000 0.768 368 E HN 0.328 nan 8.360 nan 0.000 0.457 369 D N -0.132 120.272 120.400 0.005 0.000 2.453 369 D HA 0.147 4.787 4.640 0.000 0.000 0.238 369 D C 0.021 176.325 176.300 0.006 0.000 1.088 369 D CA -0.122 53.882 54.000 0.006 0.000 0.854 369 D CB 1.602 42.406 40.800 0.007 0.000 1.076 369 D HN 0.107 nan 8.370 nan 0.000 0.533 370 G N 2.168 110.971 108.800 0.005 0.000 3.279 370 G HA2 -0.030 3.930 3.960 0.000 0.000 0.230 370 G HA3 -0.030 3.930 3.960 0.000 0.000 0.230 370 G C 0.711 175.614 174.900 0.006 0.000 1.230 370 G CA -0.038 45.065 45.100 0.005 0.000 0.891 370 G HN 0.074 nan 8.290 nan 0.000 0.518 371 R N -0.299 120.205 120.500 0.007 0.000 2.589 371 R HA 0.741 5.081 4.340 0.000 0.000 0.293 371 R C -0.855 175.450 176.300 0.010 0.000 0.963 371 R CA -0.647 55.458 56.100 0.008 0.000 0.905 371 R CB 1.874 32.179 30.300 0.007 0.000 1.144 371 R HN 0.172 nan 8.270 nan 0.000 0.459 372 I N 2.415 122.991 120.570 0.011 0.000 2.828 372 I HA 0.642 4.812 4.170 0.000 0.000 0.302 372 I C -1.097 175.029 176.117 0.016 0.000 1.101 372 I CA -1.114 60.194 61.300 0.013 0.000 1.031 372 I CB 2.016 40.023 38.000 0.013 0.000 1.231 372 I HN 0.472 nan 8.210 nan 0.000 0.427 373 V N 2.383 122.308 119.914 0.018 0.000 2.914 373 V HA 0.669 4.789 4.120 0.000 0.000 0.314 373 V C -0.106 176.003 176.094 0.025 0.000 1.084 373 V CA -0.614 61.699 62.300 0.022 0.000 0.963 373 V CB 1.383 33.219 31.823 0.023 0.000 1.025 373 V HN 0.811 nan 8.190 nan 0.000 0.432 374 S N 2.205 117.923 115.700 0.031 0.000 2.562 374 S HA 0.634 5.104 4.470 0.000 0.000 0.281 374 S C 0.525 175.144 174.600 0.033 0.000 1.333 374 S CA 0.185 58.406 58.200 0.035 0.000 1.052 374 S CB 0.782 64.007 63.200 0.043 0.000 0.884 374 S HN 1.775 nan 8.310 nan 0.000 0.506 375 G N 0.424 109.245 108.800 0.035 0.000 2.782 375 G HA2 0.567 4.527 3.960 0.000 0.000 0.201 375 G HA3 0.567 4.527 3.960 0.000 0.000 0.201 375 G C 0.860 175.779 174.900 0.031 0.000 1.374 375 G CA -0.559 44.559 45.100 0.031 0.000 1.039 375 G HN 2.024 nan 8.290 nan 0.000 0.576 376 G N -1.845 106.972 108.800 0.028 0.000 2.225 376 G HA2 0.242 4.202 3.960 0.000 0.000 0.267 376 G HA3 0.242 4.202 3.960 0.000 0.000 0.267 376 G C 1.456 176.357 174.900 0.003 0.000 1.024 376 G CA 1.217 46.328 45.100 0.019 0.000 0.784 376 G HN 2.471 nan 8.290 nan 0.000 0.507 377 G N -1.451 107.346 108.800 -0.005 0.000 2.162 377 G HA2 -0.122 3.838 3.960 0.000 0.000 0.260 377 G HA3 -0.122 3.838 3.960 0.000 0.000 0.260 377 G C 1.486 176.372 174.900 -0.023 0.000 0.976 377 G CA 1.680 46.768 45.100 -0.020 0.000 0.655 377 G HN 1.973 nan 8.290 nan 0.000 0.533 378 S N 0.048 115.747 115.700 -0.001 0.000 2.368 378 S HA -0.164 4.306 4.470 0.000 0.000 0.225 378 S C 2.807 177.394 174.600 -0.022 0.000 1.030 378 S CA 2.756 60.962 58.200 0.010 0.000 0.999 378 S CB -0.581 62.650 63.200 0.052 0.000 0.844 378 S HN 1.376 nan 8.310 nan 0.000 0.459 379 T N 0.124 114.672 114.554 -0.010 0.000 2.595 379 T HA -0.102 4.248 4.350 0.000 0.000 0.264 379 T C 1.572 176.240 174.700 -0.054 0.000 1.058 379 T CA 1.638 63.729 62.100 -0.016 0.000 1.166 379 T CB -1.081 67.787 68.868 0.001 0.000 0.863 379 T HN 0.426 nan 8.240 nan 0.000 0.415 380 E N 1.028 121.197 120.200 -0.050 0.000 2.187 380 E HA -0.094 4.256 4.350 0.000 0.000 0.199 380 E C 2.285 178.825 176.600 -0.100 0.000 1.004 380 E CA 1.085 57.446 56.400 -0.064 0.000 0.813 380 E CB -0.863 28.799 29.700 -0.063 0.000 0.736 380 E HN 0.421 nan 8.360 nan 0.000 0.468 381 V N 1.003 120.833 119.914 -0.139 0.000 2.307 381 V HA -0.232 3.888 4.120 0.000 0.000 0.245 381 V C 2.386 178.251 176.094 -0.382 0.000 1.045 381 V CA 1.874 64.040 62.300 -0.224 0.000 1.024 381 V CB -0.447 31.236 31.823 -0.232 0.000 0.651 381 V HN 0.301 nan 8.190 nan 0.000 0.449 382 E N 0.324 120.240 120.200 -0.474 0.000 2.118 382 E HA -0.207 4.143 4.350 0.000 0.000 0.195 382 E C 2.155 178.677 176.600 -0.131 0.000 0.992 382 E CA 1.491 57.640 56.400 -0.419 0.000 0.804 382 E CB -0.145 29.503 29.700 -0.087 0.000 0.741 382 E HN 0.586 nan 8.360 nan 0.000 0.458 383 L N 0.150 121.325 121.223 -0.081 0.000 2.027 383 L HA -0.138 4.202 4.340 0.000 0.000 0.206 383 L C 2.860 179.739 176.870 0.015 0.000 1.074 383 L CA 1.299 56.138 54.840 -0.002 0.000 0.745 383 L CB -0.579 41.498 42.059 0.029 0.000 0.898 383 L HN 0.105 nan 8.230 nan 0.000 0.433 384 S N -0.456 115.228 115.700 -0.027 0.000 2.368 384 S HA -0.174 4.296 4.470 0.000 0.000 0.225 384 S C 2.136 176.736 174.600 -0.001 0.000 1.030 384 S CA 1.105 59.298 58.200 -0.011 0.000 0.999 384 S CB -0.005 63.169 63.200 -0.043 0.000 0.844 384 S HN 0.195 nan 8.310 nan 0.000 0.459 385 M N 0.956 120.537 119.600 -0.032 0.000 2.086 385 M HA -0.018 4.462 4.480 0.000 0.000 0.261 385 M C 2.243 178.566 176.300 0.039 0.000 1.067 385 M CA 1.647 56.950 55.300 0.005 0.000 1.116 385 M CB -1.253 31.353 32.600 0.011 0.000 1.348 385 M HN 0.266 nan 8.290 nan 0.000 0.407 386 K N 0.669 121.092 120.400 0.038 0.000 2.062 386 K HA 0.013 4.333 4.320 0.000 0.000 0.205 386 K C 1.892 178.538 176.600 0.076 0.000 1.051 386 K CA 0.993 57.307 56.287 0.045 0.000 0.941 386 K CB -0.321 32.189 32.500 0.017 0.000 0.719 386 K HN 0.263 nan 8.250 nan 0.000 0.440 387 L N 0.246 121.525 121.223 0.092 0.000 2.275 387 L HA -0.057 4.283 4.340 0.000 0.000 0.215 387 L C 2.355 179.309 176.870 0.140 0.000 1.119 387 L CA 0.871 55.810 54.840 0.166 0.000 0.790 387 L CB -0.263 41.901 42.059 0.175 0.000 0.919 387 L HN 0.153 nan 8.230 nan 0.000 0.443 388 R N 0.015 120.568 120.500 0.088 0.000 2.081 388 R HA -0.199 4.141 4.340 0.000 0.000 0.235 388 R C 2.185 178.523 176.300 0.064 0.000 1.131 388 R CA 1.508 57.643 56.100 0.058 0.000 0.960 388 R CB -0.174 30.149 30.300 0.038 0.000 0.856 388 R HN 0.376 nan 8.270 nan 0.000 0.436 389 E N -0.251 119.999 120.200 0.082 0.000 2.152 389 E HA -0.201 4.149 4.350 0.000 0.000 0.192 389 E C 1.588 178.269 176.600 0.136 0.000 0.983 389 E CA 0.695 57.146 56.400 0.085 0.000 0.818 389 E CB -0.013 29.731 29.700 0.074 0.000 0.758 389 E HN 0.252 nan 8.360 nan 0.000 0.467 390 Y N 0.933 121.229 120.300 -0.007 0.000 2.181 390 Y HA -0.138 4.412 4.550 0.000 0.000 0.288 390 Y C 2.051 177.938 175.900 -0.022 0.000 1.146 390 Y CA 1.269 59.358 58.100 -0.018 0.000 1.164 390 Y CB -0.826 37.616 38.460 -0.030 0.000 0.982 390 Y HN 0.130 nan 8.280 nan 0.000 0.515 391 A N 0.156 122.958 122.820 -0.030 0.000 1.908 391 A HA -0.180 4.140 4.320 0.000 0.000 0.218 391 A C 2.146 179.682 177.584 -0.079 0.000 1.181 391 A CA 1.895 53.865 52.037 -0.110 0.000 0.627 391 A CB -0.525 18.448 19.000 -0.045 0.000 0.818 391 A HN 0.478 nan 8.150 nan 0.000 0.445 392 E N -0.569 119.618 120.200 -0.021 0.000 2.106 392 E HA -0.105 4.245 4.350 0.000 0.000 0.192 392 E C 2.175 178.767 176.600 -0.013 0.000 0.984 392 E CA 1.103 57.498 56.400 -0.009 0.000 0.806 392 E CB -0.638 29.070 29.700 0.013 0.000 0.750 392 E HN 0.591 nan 8.360 nan 0.000 0.458 393 G N 1.103 109.904 108.800 0.002 0.000 2.403 393 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 393 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 393 G C 1.748 176.625 174.900 -0.039 0.000 1.154 393 G CA 0.287 45.396 45.100 0.015 0.000 0.784 393 G HN 0.152 nan 8.290 nan 0.000 0.538 394 I N -0.173 120.318 120.570 -0.132 0.000 2.202 394 I HA -0.013 4.157 4.170 0.000 0.000 0.242 394 I C 1.740 177.796 176.117 -0.102 0.000 1.091 394 I CA 0.764 61.959 61.300 -0.176 0.000 1.368 394 I CB -0.282 37.518 38.000 -0.334 0.000 1.058 394 I HN 0.314 nan 8.210 nan 0.000 0.410 395 S N -1.118 114.530 115.700 -0.087 0.000 3.443 395 S HA -0.141 4.329 4.470 0.000 0.000 0.635 395 S C 0.560 175.130 174.600 -0.049 0.000 2.555 395 S CA 0.868 59.037 58.200 -0.052 0.000 2.778 395 S CB -1.386 61.794 63.200 -0.034 0.000 0.331 395 S HN 1.358 nan 8.310 nan 0.000 1.765 396 G N 0.782 109.564 108.800 -0.030 0.000 2.547 396 G HA2 -0.319 3.641 3.960 0.000 0.000 0.271 396 G HA3 -0.319 3.641 3.960 0.000 0.000 0.271 396 G C 0.366 175.256 174.900 -0.016 0.000 1.209 396 G CA 1.067 46.154 45.100 -0.022 0.000 0.959 396 G HN 1.148 nan 8.290 nan 0.000 0.563 397 R N 0.572 121.066 120.500 -0.010 0.000 2.161 397 R HA 0.135 4.475 4.340 0.000 0.000 0.213 397 R C 2.483 178.785 176.300 0.003 0.000 1.055 397 R CA 1.507 57.610 56.100 0.005 0.000 0.996 397 R CB -0.188 30.123 30.300 0.018 0.000 0.901 397 R HN 0.603 nan 8.270 nan 0.000 0.456 398 E N 1.265 121.455 120.200 -0.018 0.000 2.204 398 E HA -0.236 4.114 4.350 0.000 0.000 0.195 398 E C 1.984 178.550 176.600 -0.057 0.000 0.990 398 E CA 1.414 57.793 56.400 -0.034 0.000 0.821 398 E CB -0.092 29.565 29.700 -0.072 0.000 0.750 398 E HN 0.469 nan 8.360 nan 0.000 0.477 399 Q N 0.199 119.962 119.800 -0.062 0.000 2.170 399 Q HA -0.168 4.172 4.340 0.000 0.000 0.203 399 Q C 1.715 177.696 176.000 -0.033 0.000 0.976 399 Q CA 1.041 56.803 55.803 -0.069 0.000 0.858 399 Q CB -0.209 28.497 28.738 -0.054 0.000 0.907 399 Q HN 0.205 nan 8.270 nan 0.000 0.433 400 L N 1.073 122.294 121.223 -0.004 0.000 2.093 400 L HA -0.014 4.326 4.340 0.000 0.000 0.208 400 L C 2.532 179.431 176.870 0.048 0.000 1.085 400 L CA 1.866 56.719 54.840 0.022 0.000 0.755 400 L CB -0.979 41.100 42.059 0.034 0.000 0.904 400 L HN 0.393 nan 8.230 nan 0.000 0.435 401 A N -1.325 121.536 122.820 0.069 0.000 1.929 401 A HA -0.093 4.227 4.320 0.000 0.000 0.216 401 A C 2.320 179.857 177.584 -0.079 0.000 1.176 401 A CA 1.545 53.674 52.037 0.153 0.000 0.628 401 A CB -0.737 18.411 19.000 0.247 0.000 0.816 401 A HN 0.191 nan 8.150 nan 0.000 0.444 402 V N 0.000 119.855 119.914 -0.098 0.000 2.427 402 V HA -0.190 3.930 4.120 0.000 0.000 0.248 402 V C 2.635 178.699 176.094 -0.050 0.000 1.051 402 V CA 2.195 64.411 62.300 -0.139 0.000 1.048 402 V CB -0.780 30.942 31.823 -0.168 0.000 0.666 402 V HN 0.599 nan 8.190 nan 0.000 0.456 403 R N 1.204 121.686 120.500 -0.030 0.000 2.081 403 R HA -0.061 4.279 4.340 0.000 0.000 0.235 403 R C 2.154 178.452 176.300 -0.003 0.000 1.131 403 R CA 1.850 57.948 56.100 -0.003 0.000 0.960 403 R CB -0.920 29.381 30.300 0.002 0.000 0.856 403 R HN 0.435 nan 8.270 nan 0.000 0.436 404 A N -0.504 122.313 122.820 -0.005 0.000 1.930 404 A HA -0.120 4.200 4.320 0.000 0.000 0.217 404 A C 2.161 179.701 177.584 -0.074 0.000 1.175 404 A CA 1.334 53.380 52.037 0.015 0.000 0.627 404 A CB -0.820 18.269 19.000 0.149 0.000 0.815 404 A HN 0.481 nan 8.150 nan 0.000 0.443 405 F N 0.880 120.569 119.950 -0.435 0.000 2.075 405 F HA -0.064 4.463 4.527 0.000 0.000 0.297 405 F C 2.553 178.237 175.800 -0.194 0.000 1.113 405 F CA 1.536 59.248 58.000 -0.481 0.000 1.218 405 F CB -0.348 38.263 39.000 -0.649 0.000 0.984 405 F HN 0.244 nan 8.300 nan 0.000 0.472 406 A N -0.158 122.723 122.820 0.102 0.000 1.933 406 A HA -0.188 4.132 4.320 0.000 0.000 0.218 406 A C 1.892 179.449 177.584 -0.046 0.000 1.175 406 A CA 2.007 54.082 52.037 0.064 0.000 0.628 406 A CB -0.962 18.093 19.000 0.093 0.000 0.814 406 A HN 0.463 nan 8.150 nan 0.000 0.444 407 D N -0.052 120.321 120.400 -0.046 0.000 2.149 407 D HA 0.022 4.662 4.640 0.000 0.000 0.201 407 D C 2.187 178.440 176.300 -0.078 0.000 0.972 407 D CA 1.347 55.318 54.000 -0.048 0.000 0.835 407 D CB -0.367 40.419 40.800 -0.024 0.000 0.966 407 D HN 0.415 nan 8.370 nan 0.000 0.476 408 A N 0.474 123.224 122.820 -0.117 0.000 1.969 408 A HA -0.116 4.204 4.320 0.000 0.000 0.218 408 A C 2.019 179.497 177.584 -0.177 0.000 1.169 408 A CA 0.761 52.716 52.037 -0.137 0.000 0.635 408 A CB -0.528 18.380 19.000 -0.154 0.000 0.810 408 A HN 0.140 nan 8.150 nan 0.000 0.445 409 L N 0.274 121.352 121.223 -0.242 0.000 2.191 409 L HA -0.139 4.201 4.340 0.000 0.000 0.212 409 L C 1.998 178.794 176.870 -0.124 0.000 1.103 409 L CA 1.659 56.372 54.840 -0.212 0.000 0.769 409 L CB -0.755 41.175 42.059 -0.215 0.000 0.908 409 L HN 0.479 nan 8.230 nan 0.000 0.438 410 E N -1.382 118.759 120.200 -0.099 0.000 2.515 410 E HA -0.131 4.219 4.350 0.000 0.000 0.201 410 E C 2.189 178.751 176.600 -0.064 0.000 1.071 410 E CA 0.262 56.619 56.400 -0.072 0.000 0.880 410 E CB -0.065 29.601 29.700 -0.058 0.000 0.828 410 E HN 0.294 nan 8.360 nan 0.000 0.540 411 V N 1.043 120.914 119.914 -0.071 0.000 2.594 411 V HA -0.238 3.882 4.120 0.000 0.000 0.253 411 V C 1.717 177.779 176.094 -0.053 0.000 1.069 411 V CA 1.238 63.503 62.300 -0.059 0.000 1.082 411 V CB -0.172 31.614 31.823 -0.062 0.000 0.680 411 V HN 0.275 nan 8.190 nan 0.000 0.469 412 I N 0.352 120.888 120.570 -0.057 0.000 2.162 412 I HA -0.017 4.153 4.170 0.000 0.000 0.238 412 I C 0.244 176.334 176.117 -0.045 0.000 1.076 412 I CA 1.412 62.683 61.300 -0.049 0.000 1.353 412 I CB -2.837 35.135 38.000 -0.048 0.000 1.063 412 I HN 0.304 nan 8.210 nan 0.000 0.408 413 P HA -0.193 nan 4.420 nan 0.000 0.216 413 P C 1.842 179.119 177.300 -0.038 0.000 1.157 413 P CA 1.541 64.617 63.100 -0.040 0.000 0.880 413 P CB -0.218 31.457 31.700 -0.042 0.000 0.791 414 R N -0.010 120.466 120.500 -0.039 0.000 2.096 414 R HA -0.140 4.200 4.340 0.000 0.000 0.240 414 R C 1.921 178.199 176.300 -0.036 0.000 1.139 414 R CA 2.767 58.846 56.100 -0.036 0.000 0.952 414 R CB -1.485 28.793 30.300 -0.036 0.000 0.854 414 R HN 0.283 nan 8.270 nan 0.000 0.436 415 T N -1.583 112.948 114.554 -0.039 0.000 3.067 415 T HA 0.020 4.370 4.350 0.000 0.000 0.257 415 T C 2.006 176.678 174.700 -0.046 0.000 1.105 415 T CA 0.097 62.173 62.100 -0.040 0.000 1.104 415 T CB -0.042 68.802 68.868 -0.039 0.000 0.925 415 T HN 0.025 nan 8.240 nan 0.000 0.498 416 L N 1.678 122.871 121.223 -0.049 0.000 2.083 416 L HA 0.228 4.568 4.340 0.000 0.000 0.209 416 L C 2.927 179.757 176.870 -0.066 0.000 1.083 416 L CA 1.630 56.434 54.840 -0.061 0.000 0.752 416 L CB -1.201 40.825 42.059 -0.055 0.000 0.899 416 L HN 0.455 nan 8.230 nan 0.000 0.433 417 A N -1.538 121.251 122.820 -0.050 0.000 1.935 417 A HA -0.117 4.203 4.320 0.000 0.000 0.214 417 A C 2.230 179.788 177.584 -0.043 0.000 1.178 417 A CA 1.008 53.017 52.037 -0.046 0.000 0.640 417 A CB -0.365 18.615 19.000 -0.033 0.000 0.825 417 A HN 0.342 nan 8.150 nan 0.000 0.447 418 E N 1.616 121.793 120.200 -0.038 0.000 2.033 418 E HA -0.258 4.092 4.350 0.000 0.000 0.199 418 E C 1.682 178.260 176.600 -0.036 0.000 1.011 418 E CA 2.052 58.432 56.400 -0.034 0.000 0.815 418 E CB -0.253 29.428 29.700 -0.031 0.000 0.755 418 E HN 0.767 nan 8.360 nan 0.000 0.451 419 N N -0.124 118.550 118.700 -0.042 0.000 2.467 419 N HA 0.014 4.754 4.740 0.000 0.000 0.184 419 N C 1.076 176.553 175.510 -0.054 0.000 1.106 419 N CA 1.055 54.078 53.050 -0.044 0.000 0.892 419 N CB -0.195 38.266 38.487 -0.044 0.000 0.969 419 N HN 0.189 nan 8.380 nan 0.000 0.454 420 A N -0.224 122.557 122.820 -0.065 0.000 2.208 420 A HA 0.480 4.800 4.320 0.000 0.000 0.209 420 A C 1.626 179.177 177.584 -0.054 0.000 1.161 420 A CA 0.467 52.456 52.037 -0.078 0.000 0.782 420 A CB -0.768 18.170 19.000 -0.104 0.000 0.816 420 A HN 0.615 nan 8.150 nan 0.000 0.477 421 G N -1.626 107.150 108.800 -0.040 0.000 2.132 421 G HA2 -0.147 3.813 3.960 0.000 0.000 0.234 421 G HA3 -0.147 3.813 3.960 0.000 0.000 0.234 421 G C -0.169 174.717 174.900 -0.023 0.000 0.989 421 G CA 0.197 45.281 45.100 -0.028 0.000 0.676 421 G HN 0.279 nan 8.290 nan 0.000 0.522 422 L N 0.789 121.996 121.223 -0.027 0.000 2.344 422 L HA 0.517 4.857 4.340 0.000 0.000 0.272 422 L C 0.284 177.142 176.870 -0.019 0.000 1.035 422 L CA -0.846 53.981 54.840 -0.021 0.000 0.807 422 L CB 1.368 43.413 42.059 -0.023 0.000 1.237 422 L HN 0.211 nan 8.230 nan 0.000 0.442 423 D N 1.426 121.818 120.400 -0.014 0.000 2.346 423 D HA 0.112 4.752 4.640 0.000 0.000 0.260 423 D C 0.829 177.120 176.300 -0.015 0.000 1.252 423 D CA 0.112 54.105 54.000 -0.013 0.000 0.895 423 D CB 1.602 42.396 40.800 -0.009 0.000 1.097 423 D HN 0.642 nan 8.370 nan 0.000 0.489 424 A N 5.458 128.268 122.820 -0.017 0.000 1.908 424 A HA -0.192 4.128 4.320 0.000 0.000 0.218 424 A C 2.139 179.714 177.584 -0.016 0.000 1.181 424 A CA 0.880 52.906 52.037 -0.019 0.000 0.627 424 A CB -0.235 18.752 19.000 -0.022 0.000 0.818 424 A HN 0.710 nan 8.150 nan 0.000 0.445 425 I N -0.257 120.305 120.570 -0.013 0.000 2.163 425 I HA -0.200 3.970 4.170 0.000 0.000 0.240 425 I C 2.476 178.588 176.117 -0.007 0.000 1.081 425 I CA 1.858 63.152 61.300 -0.010 0.000 1.353 425 I CB -1.517 36.477 38.000 -0.009 0.000 1.054 425 I HN 0.572 nan 8.210 nan 0.000 0.407 426 E N 0.939 121.135 120.200 -0.006 0.000 2.077 426 E HA -0.207 4.143 4.350 0.000 0.000 0.193 426 E C 2.313 178.912 176.600 -0.002 0.000 0.989 426 E CA 1.125 57.523 56.400 -0.003 0.000 0.800 426 E CB 0.190 29.889 29.700 -0.003 0.000 0.746 426 E HN 0.238 nan 8.360 nan 0.000 0.452 427 I N 0.859 121.427 120.570 -0.005 0.000 2.202 427 I HA -0.234 3.936 4.170 0.000 0.000 0.242 427 I C 2.398 178.514 176.117 -0.003 0.000 1.091 427 I CA 0.808 62.106 61.300 -0.003 0.000 1.368 427 I CB -0.965 37.030 38.000 -0.008 0.000 1.058 427 I HN 0.244 nan 8.210 nan 0.000 0.410 428 L N 0.135 121.354 121.223 -0.008 0.000 2.131 428 L HA -0.146 4.194 4.340 0.000 0.000 0.210 428 L C 2.574 179.442 176.870 -0.003 0.000 1.092 428 L CA 1.265 56.099 54.840 -0.010 0.000 0.759 428 L CB -1.001 41.049 42.059 -0.016 0.000 0.903 428 L HN -0.001 nan 8.230 nan 0.000 0.435 429 V N -0.825 119.089 119.914 -0.000 0.000 2.358 429 V HA -0.272 3.848 4.120 0.000 0.000 0.246 429 V C 2.422 178.523 176.094 0.011 0.000 1.047 429 V CA 1.564 63.866 62.300 0.004 0.000 1.035 429 V CB -0.491 31.334 31.823 0.003 0.000 0.658 429 V HN 0.427 nan 8.190 nan 0.000 0.452 430 K N -0.409 119.997 120.400 0.010 0.000 2.097 430 K HA -0.075 4.245 4.320 0.000 0.000 0.205 430 K C 2.018 178.632 176.600 0.023 0.000 1.050 430 K CA 1.112 57.408 56.287 0.015 0.000 0.938 430 K CB -0.203 32.304 32.500 0.012 0.000 0.718 430 K HN 0.324 nan 8.250 nan 0.000 0.442 431 V N 1.154 121.082 119.914 0.022 0.000 2.346 431 V HA -0.164 3.956 4.120 0.000 0.000 0.244 431 V C 2.135 178.259 176.094 0.051 0.000 1.037 431 V CA 1.453 63.773 62.300 0.033 0.000 1.029 431 V CB -0.388 31.445 31.823 0.017 0.000 0.663 431 V HN 0.230 nan 8.190 nan 0.000 0.454 432 R N 0.380 120.898 120.500 0.030 0.000 2.096 432 R HA -0.105 4.235 4.340 0.000 0.000 0.235 432 R C 2.410 178.753 176.300 0.071 0.000 1.127 432 R CA 1.478 57.599 56.100 0.035 0.000 0.968 432 R CB -0.588 29.716 30.300 0.006 0.000 0.861 432 R HN 0.530 nan 8.270 nan 0.000 0.440 433 A N 1.257 124.107 122.820 0.050 0.000 1.898 433 A HA -0.069 4.251 4.320 0.000 0.000 0.216 433 A C 2.376 179.992 177.584 0.054 0.000 1.181 433 A CA 1.538 53.603 52.037 0.047 0.000 0.620 433 A CB -0.606 18.411 19.000 0.029 0.000 0.819 433 A HN 0.382 nan 8.150 nan 0.000 0.442 434 A N -1.185 121.669 122.820 0.057 0.000 1.933 434 A HA -0.223 4.097 4.320 0.000 0.000 0.218 434 A C 2.137 179.758 177.584 0.062 0.000 1.175 434 A CA 1.775 53.841 52.037 0.049 0.000 0.628 434 A CB -0.912 18.116 19.000 0.047 0.000 0.814 434 A HN 0.766 nan 8.150 nan 0.000 0.444 435 H N 0.015 119.087 119.070 0.004 0.000 2.299 435 H HA -0.047 4.509 4.556 0.000 0.000 0.302 435 H C 2.330 177.661 175.328 0.004 0.000 1.078 435 H CA 1.771 57.822 56.048 0.004 0.000 1.323 435 H CB -0.284 29.481 29.762 0.005 0.000 1.381 435 H HN 0.390 nan 8.280 nan 0.000 0.498 436 A N 0.016 122.903 122.820 0.112 0.000 1.940 436 A HA -0.179 4.141 4.320 0.000 0.000 0.219 436 A C 2.776 180.346 177.584 -0.023 0.000 1.176 436 A CA 2.104 54.172 52.037 0.052 0.000 0.631 436 A CB -0.829 18.221 19.000 0.083 0.000 0.814 436 A HN 0.519 nan 8.150 nan 0.000 0.446 437 S N -0.657 115.033 115.700 -0.017 0.000 2.341 437 S HA -0.068 4.402 4.470 0.000 0.000 0.216 437 S C 1.861 176.433 174.600 -0.047 0.000 1.034 437 S CA 0.967 59.153 58.200 -0.023 0.000 0.964 437 S CB -0.386 62.810 63.200 -0.006 0.000 0.882 437 S HN 0.640 nan 8.310 nan 0.000 0.469 438 N N 0.983 119.650 118.700 -0.055 0.000 2.416 438 N HA 0.214 4.954 4.740 0.000 0.000 0.177 438 N C 1.043 176.494 175.510 -0.098 0.000 1.036 438 N CA 0.942 53.958 53.050 -0.058 0.000 0.901 438 N CB 0.461 38.928 38.487 -0.033 0.000 0.976 438 N HN 0.595 nan 8.380 nan 0.000 0.444 439 G N 0.649 109.335 108.800 -0.189 0.000 2.352 439 G HA2 -0.183 3.777 3.960 0.000 0.000 0.324 439 G HA3 -0.183 3.777 3.960 0.000 0.000 0.324 439 G C -0.114 174.547 174.900 -0.399 0.000 1.249 439 G CA -0.191 44.754 45.100 -0.258 0.000 1.053 439 G HN 0.242 nan 8.290 nan 0.000 0.492 440 N N -0.275 118.279 118.700 -0.242 0.000 2.368 440 N HA 0.096 4.836 4.740 0.000 0.000 0.176 440 N C 1.616 177.144 175.510 0.030 0.000 1.021 440 N CA 0.912 53.907 53.050 -0.090 0.000 0.888 440 N CB 0.108 38.598 38.487 0.006 0.000 0.995 440 N HN 0.281 nan 8.380 nan 0.000 0.437 441 K N -0.208 120.189 120.400 -0.005 0.000 2.374 441 K HA 0.271 4.591 4.320 0.000 0.000 0.196 441 K C -0.647 175.962 176.600 0.015 0.000 1.023 441 K CA 0.148 56.444 56.287 0.016 0.000 1.103 441 K CB 0.545 33.048 32.500 0.005 0.000 0.848 441 K HN 0.116 nan 8.250 nan 0.000 0.528 442 C N 1.001 120.301 119.300 0.001 0.000 3.094 442 C HA 0.816 5.277 4.460 0.000 0.000 0.262 442 C C 0.350 175.357 174.990 0.027 0.000 1.459 442 C CA -0.723 58.297 59.018 0.003 0.000 1.570 442 C CB -1.223 26.503 27.740 -0.024 0.000 2.056 442 C HN 0.467 nan 8.230 nan 0.000 0.499 443 A N 0.478 123.336 122.820 0.064 0.000 5.650 443 A HA 0.952 5.272 4.320 0.000 0.000 0.194 443 A C 0.233 177.861 177.584 0.075 0.000 0.895 443 A CA 0.397 52.488 52.037 0.091 0.000 0.804 443 A CB -0.454 18.653 19.000 0.178 0.000 2.103 443 A HN 2.020 nan 8.150 nan 0.000 1.022 444 G N -1.918 106.925 108.800 0.071 0.000 2.888 444 G HA2 0.251 4.211 3.960 0.000 0.000 0.441 444 G HA3 0.251 4.211 3.960 0.000 0.000 0.441 444 G C -0.829 174.090 174.900 0.033 0.000 1.461 444 G CA -0.068 45.057 45.100 0.041 0.000 0.897 444 G HN 1.440 nan 8.290 nan 0.000 0.547 445 L N 0.507 121.742 121.223 0.020 0.000 2.292 445 L HA 0.496 4.837 4.340 0.000 0.000 0.284 445 L C 0.578 177.465 176.870 0.027 0.000 1.065 445 L CA -0.454 54.394 54.840 0.013 0.000 0.806 445 L CB 1.612 43.665 42.059 -0.010 0.000 1.175 445 L HN 0.626 nan 8.230 nan 0.000 0.431 446 N N 1.202 119.925 118.700 0.040 0.000 2.699 446 N HA 0.211 4.951 4.740 0.000 0.000 0.232 446 N C 0.842 176.377 175.510 0.042 0.000 1.027 446 N CA -0.359 52.739 53.050 0.080 0.000 0.920 446 N CB 0.961 39.511 38.487 0.105 0.000 1.148 446 N HN 0.446 nan 8.380 nan 0.000 0.509 447 V N 0.780 120.666 119.914 -0.048 0.000 2.913 447 V HA -0.034 4.086 4.120 0.000 0.000 0.260 447 V C 1.440 177.426 176.094 -0.181 0.000 1.098 447 V CA 1.228 63.436 62.300 -0.154 0.000 1.121 447 V CB -1.201 30.464 31.823 -0.265 0.000 0.714 447 V HN 0.409 nan 8.190 nan 0.000 0.487 448 F N 2.506 122.457 119.950 0.001 0.000 2.206 448 F HA -0.055 4.472 4.527 0.000 0.000 0.298 448 F C 2.728 178.529 175.800 0.002 0.000 1.090 448 F CA 1.864 59.865 58.000 0.002 0.000 1.323 448 F CB -0.386 38.615 39.000 0.002 0.000 1.028 448 F HN 0.366 nan 8.300 nan 0.000 0.492 449 T N -3.769 110.893 114.554 0.179 0.000 3.022 449 T HA 0.363 4.713 4.350 0.000 0.000 0.250 449 T C 1.436 176.167 174.700 0.052 0.000 1.060 449 T CA 0.420 62.578 62.100 0.096 0.000 1.013 449 T CB 0.271 69.186 68.868 0.079 0.000 0.982 449 T HN 0.376 nan 8.240 nan 0.000 0.508 450 G N 1.056 109.878 108.800 0.037 0.000 2.291 450 G HA2 0.286 4.246 3.960 0.000 0.000 0.271 450 G HA3 0.286 4.246 3.960 0.000 0.000 0.271 450 G C 0.036 174.943 174.900 0.012 0.000 1.099 450 G CA -0.229 44.876 45.100 0.008 0.000 0.919 450 G HN 1.393 nan 8.290 nan 0.000 0.496 451 A N -1.508 121.324 122.820 0.020 0.000 2.601 451 A HA 0.903 5.223 4.320 0.000 0.000 0.291 451 A C 0.036 177.635 177.584 0.024 0.000 1.075 451 A CA 0.110 52.159 52.037 0.020 0.000 0.671 451 A CB 1.399 20.412 19.000 0.023 0.000 1.277 451 A HN 1.818 nan 8.150 nan 0.000 0.417 452 V N 1.416 121.343 119.914 0.022 0.000 2.673 452 V HA 0.451 4.571 4.120 0.000 0.000 0.303 452 V C -0.042 176.071 176.094 0.032 0.000 1.046 452 V CA 0.934 63.251 62.300 0.027 0.000 1.126 452 V CB 0.516 32.355 31.823 0.026 0.000 0.934 452 V HN 0.908 nan 8.190 nan 0.000 0.487 453 E N 3.614 123.836 120.200 0.037 0.000 2.350 453 E HA 0.448 4.798 4.350 0.000 0.000 0.243 453 E C -1.650 174.972 176.600 0.037 0.000 0.959 453 E CA -0.716 55.706 56.400 0.037 0.000 0.883 453 E CB 0.865 30.591 29.700 0.044 0.000 1.820 453 E HN 0.659 nan 8.360 nan 0.000 0.441 454 D N 1.403 121.823 120.400 0.033 0.000 2.427 454 D HA 0.234 4.874 4.640 0.000 0.000 0.226 454 D C 1.085 177.406 176.300 0.035 0.000 1.076 454 D CA -0.304 53.714 54.000 0.030 0.000 0.849 454 D CB 1.021 41.832 40.800 0.019 0.000 1.052 454 D HN 0.162 nan 8.370 nan 0.000 0.515 455 M N 0.387 120.012 119.600 0.043 0.000 2.099 455 M HA -0.123 4.357 4.480 0.000 0.000 0.262 455 M C 2.285 178.607 176.300 0.036 0.000 1.067 455 M CA 0.884 56.212 55.300 0.047 0.000 1.124 455 M CB -0.826 31.804 32.600 0.051 0.000 1.353 455 M HN 0.502 nan 8.290 nan 0.000 0.410 456 C N 0.701 120.019 119.300 0.031 0.000 2.429 456 C HA -0.162 4.298 4.460 0.000 0.000 0.277 456 C C 2.707 177.706 174.990 0.015 0.000 1.262 456 C CA 1.345 60.376 59.018 0.022 0.000 1.733 456 C CB -0.929 26.823 27.740 0.020 0.000 2.010 456 C HN 0.633 nan 8.230 nan 0.000 0.483 457 E N 0.131 120.340 120.200 0.014 0.000 2.118 457 E HA -0.202 4.148 4.350 0.000 0.000 0.195 457 E C 1.206 177.810 176.600 0.005 0.000 0.992 457 E CA 1.355 57.760 56.400 0.008 0.000 0.804 457 E CB -0.144 29.560 29.700 0.008 0.000 0.741 457 E HN 0.630 nan 8.360 nan 0.000 0.458 458 N N -0.526 118.180 118.700 0.011 0.000 2.398 458 N HA 0.041 4.781 4.740 0.000 0.000 0.188 458 N C 0.593 176.101 175.510 -0.002 0.000 1.122 458 N CA 0.911 53.963 53.050 0.003 0.000 0.866 458 N CB 0.944 39.440 38.487 0.015 0.000 0.970 458 N HN 0.321 nan 8.380 nan 0.000 0.462 459 G N 0.150 108.953 108.800 0.005 0.000 2.160 459 G HA2 -0.260 3.700 3.960 0.000 0.000 0.251 459 G HA3 -0.260 3.700 3.960 0.000 0.000 0.251 459 G C -0.074 174.836 174.900 0.017 0.000 1.008 459 G CA 0.151 45.254 45.100 0.005 0.000 0.724 459 G HN 0.197 nan 8.290 nan 0.000 0.514 460 V N 1.379 121.314 119.914 0.034 0.000 2.222 460 V HA 0.482 4.602 4.120 0.000 0.000 0.253 460 V C 0.790 176.912 176.094 0.047 0.000 1.210 460 V CA 0.112 62.447 62.300 0.058 0.000 1.079 460 V CB 0.492 32.367 31.823 0.088 0.000 1.265 460 V HN 1.023 nan 8.190 nan 0.000 0.494 461 V N 1.231 121.168 119.914 0.038 0.000 2.876 461 V HA 0.795 4.915 4.120 0.000 0.000 0.312 461 V C -0.703 175.408 176.094 0.029 0.000 1.085 461 V CA -0.820 61.499 62.300 0.031 0.000 0.945 461 V CB 2.485 34.321 31.823 0.023 0.000 1.017 461 V HN 0.625 nan 8.190 nan 0.000 0.428 462 E N 2.860 123.075 120.200 0.025 0.000 2.317 462 E HA 0.533 4.883 4.350 0.000 0.000 0.270 462 E C -2.972 173.639 176.600 0.018 0.000 0.885 462 E CA -2.265 54.149 56.400 0.022 0.000 0.760 462 E CB 2.744 32.457 29.700 0.021 0.000 1.227 462 E HN 0.550 nan 8.360 nan 0.000 0.434 463 P HA -0.098 nan 4.420 nan 0.000 0.266 463 P C 0.506 177.815 177.300 0.014 0.000 1.193 463 P CA -0.099 63.009 63.100 0.014 0.000 0.770 463 P CB 0.529 32.236 31.700 0.013 0.000 0.836 464 L N 4.072 125.303 121.223 0.014 0.000 2.042 464 L HA -0.172 4.168 4.340 0.000 0.000 0.210 464 L C 2.345 179.224 176.870 0.014 0.000 1.076 464 L CA 1.867 56.716 54.840 0.014 0.000 0.749 464 L CB -0.840 41.227 42.059 0.013 0.000 0.893 464 L HN 0.308 nan 8.230 nan 0.000 0.432 465 R N -0.966 119.542 120.500 0.013 0.000 2.105 465 R HA -0.151 4.189 4.340 0.000 0.000 0.239 465 R C 2.046 178.354 176.300 0.014 0.000 1.135 465 R CA 1.794 57.902 56.100 0.013 0.000 0.967 465 R CB -0.300 30.007 30.300 0.012 0.000 0.861 465 R HN 0.395 nan 8.270 nan 0.000 0.442 466 V N 1.442 121.365 119.914 0.014 0.000 2.255 466 V HA -0.275 3.845 4.120 0.000 0.000 0.247 466 V C 2.286 178.388 176.094 0.014 0.000 1.051 466 V CA 1.877 64.185 62.300 0.013 0.000 1.018 466 V CB -0.358 31.473 31.823 0.013 0.000 0.641 466 V HN 0.292 nan 8.190 nan 0.000 0.445 467 K N -0.392 120.017 120.400 0.015 0.000 2.167 467 K HA -0.008 4.312 4.320 0.000 0.000 0.203 467 K C 2.176 178.790 176.600 0.023 0.000 1.052 467 K CA 1.293 57.590 56.287 0.016 0.000 0.956 467 K CB -0.656 31.853 32.500 0.015 0.000 0.735 467 K HN 0.495 nan 8.250 nan 0.000 0.451 468 T N 1.373 115.941 114.554 0.023 0.000 2.812 468 T HA -0.133 4.217 4.350 0.000 0.000 0.264 468 T C 1.911 176.630 174.700 0.031 0.000 1.042 468 T CA 1.289 63.406 62.100 0.028 0.000 1.140 468 T CB -0.034 68.848 68.868 0.022 0.000 0.870 468 T HN 0.122 nan 8.240 nan 0.000 0.445 469 Q N 1.320 121.135 119.800 0.025 0.000 2.123 469 Q HA 0.170 4.510 4.340 0.000 0.000 0.199 469 Q C 2.247 178.264 176.000 0.028 0.000 0.966 469 Q CA 1.521 57.339 55.803 0.025 0.000 0.845 469 Q CB -0.668 28.082 28.738 0.019 0.000 0.907 469 Q HN 0.471 nan 8.270 nan 0.000 0.439 470 A N 0.522 123.356 122.820 0.024 0.000 1.883 470 A HA -0.155 4.165 4.320 0.000 0.000 0.217 470 A C 1.938 179.541 177.584 0.030 0.000 1.186 470 A CA 1.592 53.641 52.037 0.020 0.000 0.624 470 A CB -0.679 18.327 19.000 0.011 0.000 0.822 470 A HN 0.444 nan 8.150 nan 0.000 0.444 471 I N -0.368 120.228 120.570 0.044 0.000 2.252 471 I HA -0.178 3.992 4.170 0.000 0.000 0.245 471 I C 2.661 178.838 176.117 0.101 0.000 1.102 471 I CA 1.160 62.508 61.300 0.081 0.000 1.385 471 I CB -1.430 36.632 38.000 0.103 0.000 1.064 471 I HN 0.361 nan 8.210 nan 0.000 0.414 472 Q N 0.702 120.546 119.800 0.074 0.000 2.002 472 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 472 Q C 2.505 178.546 176.000 0.067 0.000 0.988 472 Q CA 1.881 57.725 55.803 0.069 0.000 0.843 472 Q CB -0.549 28.217 28.738 0.047 0.000 0.908 472 Q HN 0.387 nan 8.270 nan 0.000 0.420 473 S N 0.821 116.552 115.700 0.051 0.000 2.356 473 S HA -0.132 4.338 4.470 0.000 0.000 0.223 473 S C 1.944 176.576 174.600 0.052 0.000 1.032 473 S CA 1.149 59.376 58.200 0.044 0.000 1.005 473 S CB -0.275 62.943 63.200 0.031 0.000 0.867 473 S HN 0.517 nan 8.310 nan 0.000 0.449 474 A N 1.397 124.249 122.820 0.054 0.000 1.873 474 A HA 0.165 4.485 4.320 0.000 0.000 0.215 474 A C 2.332 179.973 177.584 0.095 0.000 1.186 474 A CA 1.707 53.775 52.037 0.051 0.000 0.616 474 A CB -1.071 17.943 19.000 0.023 0.000 0.823 474 A HN 0.515 nan 8.150 nan 0.000 0.442 475 A N -0.692 122.221 122.820 0.154 0.000 1.898 475 A HA -0.025 4.295 4.320 0.000 0.000 0.214 475 A C 1.961 179.674 177.584 0.216 0.000 1.183 475 A CA 1.911 54.121 52.037 0.288 0.000 0.622 475 A CB -0.393 18.874 19.000 0.446 0.000 0.824 475 A HN 0.489 nan 8.150 nan 0.000 0.444 476 E N 0.068 120.351 120.200 0.139 0.000 2.150 476 E HA -0.112 4.238 4.350 0.000 0.000 0.193 476 E C 2.134 178.779 176.600 0.074 0.000 0.985 476 E CA 1.356 57.813 56.400 0.096 0.000 0.814 476 E CB -0.328 29.414 29.700 0.069 0.000 0.752 476 E HN 0.458 nan 8.360 nan 0.000 0.466 477 S N -1.303 114.438 115.700 0.068 0.000 2.368 477 S HA -0.131 4.339 4.470 0.000 0.000 0.224 477 S C 1.898 176.522 174.600 0.041 0.000 1.029 477 S CA 1.760 59.988 58.200 0.047 0.000 0.988 477 S CB -0.540 62.683 63.200 0.039 0.000 0.838 477 S HN 0.421 nan 8.310 nan 0.000 0.462 478 T N 1.833 116.425 114.554 0.063 0.000 2.674 478 T HA -0.082 4.268 4.350 0.000 0.000 0.265 478 T C 1.841 176.542 174.700 0.003 0.000 1.039 478 T CA 1.402 63.525 62.100 0.039 0.000 1.150 478 T CB -0.491 68.446 68.868 0.115 0.000 0.864 478 T HN 0.426 nan 8.240 nan 0.000 0.427 479 E N 0.795 121.036 120.200 0.068 0.000 2.204 479 E HA -0.121 4.229 4.350 0.000 0.000 0.195 479 E C 2.116 178.726 176.600 0.017 0.000 0.990 479 E CA 0.824 57.252 56.400 0.047 0.000 0.821 479 E CB -0.236 29.529 29.700 0.108 0.000 0.750 479 E HN 0.502 nan 8.360 nan 0.000 0.477 480 M N -0.175 119.440 119.600 0.024 0.000 2.099 480 M HA -0.176 4.304 4.480 0.000 0.000 0.262 480 M C 1.877 178.177 176.300 0.001 0.000 1.067 480 M CA 1.054 56.364 55.300 0.016 0.000 1.124 480 M CB 0.009 32.623 32.600 0.022 0.000 1.353 480 M HN 0.097 nan 8.290 nan 0.000 0.410 481 L N 0.759 121.979 121.223 -0.005 0.000 2.201 481 L HA -0.102 4.238 4.340 0.000 0.000 0.212 481 L C 2.149 178.997 176.870 -0.035 0.000 1.105 481 L CA 1.496 56.328 54.840 -0.013 0.000 0.775 481 L CB -1.067 40.984 42.059 -0.014 0.000 0.913 481 L HN 0.388 nan 8.230 nan 0.000 0.440 482 L N -1.270 119.915 121.223 -0.063 0.000 2.265 482 L HA -0.189 4.151 4.340 0.000 0.000 0.215 482 L C 2.500 179.338 176.870 -0.052 0.000 1.117 482 L CA 0.843 55.629 54.840 -0.091 0.000 0.782 482 L CB -0.359 41.608 42.059 -0.155 0.000 0.914 482 L HN 0.233 nan 8.230 nan 0.000 0.441 483 R N -0.369 120.115 120.500 -0.026 0.000 2.153 483 R HA 0.014 4.354 4.340 0.000 0.000 0.218 483 R C 0.181 176.478 176.300 -0.005 0.000 1.072 483 R CA 0.370 56.466 56.100 -0.007 0.000 0.990 483 R CB -0.049 30.253 30.300 0.004 0.000 0.889 483 R HN 0.123 nan 8.270 nan 0.000 0.452 484 I N 1.419 121.985 120.570 -0.006 0.000 2.396 484 I HA -0.035 4.135 4.170 0.000 0.000 0.289 484 I C 0.469 176.585 176.117 -0.001 0.000 1.056 484 I CA 0.507 61.808 61.300 0.002 0.000 1.365 484 I CB 1.160 39.165 38.000 0.009 0.000 1.407 484 I HN -0.102 nan 8.210 nan 0.000 0.509 485 D N 3.541 123.943 120.400 0.003 0.000 2.535 485 D HA 0.138 4.778 4.640 0.000 0.000 0.229 485 D C -0.910 175.399 176.300 0.015 0.000 1.238 485 D CA 0.144 54.146 54.000 0.003 0.000 0.824 485 D CB 0.243 41.040 40.800 -0.006 0.000 1.045 485 D HN 0.446 nan 8.370 nan 0.000 0.500 486 D N -0.258 120.153 120.400 0.019 0.000 2.931 486 D HA 0.208 4.848 4.640 0.000 0.000 0.215 486 D C -1.480 174.831 176.300 0.017 0.000 1.297 486 D CA -0.438 53.575 54.000 0.021 0.000 0.892 486 D CB 1.885 42.693 40.800 0.014 0.000 1.642 486 D HN -0.256 nan 8.370 nan 0.000 0.560 487 V N 4.982 124.907 119.914 0.019 0.000 2.378 487 V HA 0.527 4.647 4.120 0.000 0.000 0.288 487 V C 0.138 176.225 176.094 -0.011 0.000 1.016 487 V CA -0.547 61.752 62.300 -0.002 0.000 0.840 487 V CB 1.371 33.186 31.823 -0.013 0.000 0.994 487 V HN 0.489 nan 8.190 nan 0.000 0.431 488 I N 4.519 125.078 120.570 -0.018 0.000 2.411 488 I HA 0.688 4.858 4.170 0.000 0.000 0.284 488 I C 0.237 176.338 176.117 -0.027 0.000 1.012 488 I CA -0.462 60.827 61.300 -0.018 0.000 1.119 488 I CB 1.744 39.738 38.000 -0.011 0.000 1.261 488 I HN 0.647 nan 8.210 nan 0.000 0.448 489 A N 5.117 127.918 122.820 -0.032 0.000 2.304 489 A HA 0.861 5.181 4.320 0.000 0.000 0.323 489 A C 0.162 177.731 177.584 -0.024 0.000 1.195 489 A CA -0.484 51.532 52.037 -0.035 0.000 0.826 489 A CB 1.066 20.037 19.000 -0.049 0.000 1.184 489 A HN 0.775 nan 8.150 nan 0.000 0.496 490 A N 2.397 125.205 122.820 -0.020 0.000 2.386 490 A HA 0.475 4.795 4.320 0.000 0.000 0.248 490 A C 0.455 178.030 177.584 -0.015 0.000 1.082 490 A CA -0.194 51.834 52.037 -0.015 0.000 0.789 490 A CB 0.009 19.002 19.000 -0.012 0.000 1.025 490 A HN 0.875 nan 8.150 nan 0.000 0.490 491 E N 0.000 120.193 120.200 -0.012 0.000 2.725 491 E HA 0.000 4.350 4.350 0.000 0.000 0.291 491 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 491 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 491 E HN 0.000 nan 8.360 nan 0.000 0.440