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_M DATA FIRST_RESID 5893 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 5893 V HA 0.000 nan 4.120 nan 0.000 0.244 5893 V C 0.000 176.086 176.094 -0.014 0.000 1.182 5893 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 5893 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 5894 L N 2.894 124.107 121.223 -0.017 0.000 2.307 5894 L HA 0.564 4.904 4.340 0.000 0.000 0.282 5894 L C -2.217 174.641 176.870 -0.020 0.000 1.051 5894 L CA -1.513 53.315 54.840 -0.020 0.000 0.804 5894 L CB 0.747 42.791 42.059 -0.025 0.000 1.197 5894 L HN 0.164 nan 8.230 nan 0.000 0.431 5895 P HA 0.100 nan 4.420 nan 0.000 0.268 5895 P C -0.738 176.549 177.300 -0.021 0.000 1.204 5895 P CA -0.233 62.857 63.100 -0.017 0.000 0.768 5895 P CB 0.444 32.136 31.700 -0.015 0.000 0.842 5896 E N 2.209 122.398 120.200 -0.019 0.000 2.360 5896 E HA 0.049 4.399 4.350 0.000 0.000 0.269 5896 E C 0.565 177.154 176.600 -0.018 0.000 1.022 5896 E CA 0.125 56.512 56.400 -0.021 0.000 0.887 5896 E CB 0.291 29.980 29.700 -0.018 0.000 0.990 5896 E HN 0.514 nan 8.360 nan 0.000 0.426 5897 N N 1.053 119.742 118.700 -0.019 0.000 2.993 5897 N HA -0.147 4.593 4.740 0.000 0.000 0.171 5897 N C -0.738 174.766 175.510 -0.010 0.000 1.446 5897 N CA 0.701 53.744 53.050 -0.011 0.000 1.542 5897 N CB -0.482 38.001 38.487 -0.007 0.000 1.042 5897 N HN 0.321 nan 8.380 nan 0.000 0.638 5898 M N 1.524 121.114 119.600 -0.016 0.000 2.250 5898 M HA 0.298 4.778 4.480 0.000 0.000 0.344 5898 M C -0.002 176.279 176.300 -0.032 0.000 1.150 5898 M CA 0.335 55.626 55.300 -0.015 0.000 1.147 5898 M CB 0.904 33.493 32.600 -0.018 0.000 1.498 5898 M HN 0.044 nan 8.290 nan 0.000 0.461 5899 K N 1.893 122.282 120.400 -0.018 0.000 2.244 5899 K HA 0.584 4.904 4.320 0.000 0.000 0.260 5899 K C -0.498 176.052 176.600 -0.083 0.000 0.951 5899 K CA -0.636 55.608 56.287 -0.071 0.000 0.826 5899 K CB 2.406 34.932 32.500 0.043 0.000 1.108 5899 K HN 0.529 nan 8.250 nan 0.000 0.433 5900 R N 3.122 123.471 120.500 -0.251 0.000 2.532 5900 R HA 0.321 4.661 4.340 0.000 0.000 0.297 5900 R C -1.605 174.493 176.300 -0.337 0.000 0.984 5900 R CA -0.512 55.490 56.100 -0.164 0.000 0.884 5900 R CB 0.883 31.131 30.300 -0.087 0.000 1.182 5900 R HN 0.549 nan 8.270 nan 0.000 0.442 5901 Y N 3.286 123.590 120.300 0.006 0.000 2.562 5901 Y HA 0.570 5.120 4.550 -0.000 0.000 0.343 5901 Y C 0.231 176.132 175.900 0.001 0.000 1.025 5901 Y CA -0.869 57.234 58.100 0.004 0.000 1.082 5901 Y CB 2.436 40.901 38.460 0.008 0.000 1.264 5901 Y HN 0.307 nan 8.280 nan 0.000 0.478 5902 M N 0.544 120.235 119.600 0.152 0.000 2.593 5902 M HA 0.584 5.064 4.480 0.000 0.000 0.290 5902 M C 0.458 176.794 176.300 0.059 0.000 1.244 5902 M CA -0.334 55.012 55.300 0.076 0.000 0.857 5902 M CB 2.472 35.096 32.600 0.039 0.000 1.738 5902 M HN 0.889 nan 8.290 nan 0.000 0.461 5903 G N 2.017 110.832 108.800 0.026 0.000 2.556 5903 G HA2 -0.335 3.625 3.960 0.000 0.000 0.283 5903 G HA3 -0.335 3.625 3.960 0.000 0.000 0.283 5903 G C 0.506 175.400 174.900 -0.010 0.000 1.177 5903 G CA 0.793 45.893 45.100 -0.001 0.000 0.978 5903 G HN 0.988 nan 8.290 nan 0.000 0.554 5904 R N 0.509 121.001 120.500 -0.014 0.000 2.237 5904 R HA 0.064 4.404 4.340 0.000 0.000 0.219 5904 R C 1.553 177.840 176.300 -0.021 0.000 1.080 5904 R CA 2.069 58.154 56.100 -0.025 0.000 0.995 5904 R CB -0.268 30.017 30.300 -0.024 0.000 0.875 5904 R HN 0.495 nan 8.270 nan 0.000 0.462 5905 D N 1.430 121.838 120.400 0.013 0.000 2.183 5905 D HA 0.008 4.648 4.640 0.000 0.000 0.205 5905 D C 1.959 178.247 176.300 -0.020 0.000 0.962 5905 D CA 1.347 55.355 54.000 0.013 0.000 0.849 5905 D CB -0.010 40.886 40.800 0.160 0.000 0.978 5905 D HN 0.392 nan 8.370 nan 0.000 0.488 5906 A N 1.158 124.018 122.820 0.067 0.000 1.902 5906 A HA -0.183 4.137 4.320 0.000 0.000 0.217 5906 A C 2.140 179.723 177.584 -0.003 0.000 1.181 5906 A CA 1.201 53.282 52.037 0.073 0.000 0.623 5906 A CB -0.285 18.763 19.000 0.080 0.000 0.818 5906 A HN 0.052 nan 8.150 nan 0.000 0.443 5907 Q N -0.723 119.061 119.800 -0.027 0.000 2.123 5907 Q HA -0.107 4.233 4.340 0.000 0.000 0.199 5907 Q C 2.231 178.184 176.000 -0.079 0.000 0.966 5907 Q CA 1.450 57.223 55.803 -0.050 0.000 0.845 5907 Q CB -0.398 28.306 28.738 -0.057 0.000 0.907 5907 Q HN 0.769 nan 8.270 nan 0.000 0.439 5908 R N -0.097 120.346 120.500 -0.094 0.000 2.070 5908 R HA -0.081 4.259 4.340 0.000 0.000 0.233 5908 R C 2.167 178.372 176.300 -0.158 0.000 1.137 5908 R CA 1.304 57.334 56.100 -0.117 0.000 0.945 5908 R CB 0.029 30.260 30.300 -0.115 0.000 0.845 5908 R HN 0.132 nan 8.270 nan 0.000 0.430 5909 M N 0.819 120.289 119.600 -0.217 0.000 2.132 5909 M HA -0.105 4.375 4.480 0.000 0.000 0.263 5909 M C 1.732 177.907 176.300 -0.208 0.000 1.065 5909 M CA 1.450 56.597 55.300 -0.255 0.000 1.122 5909 M CB -1.135 31.209 32.600 -0.426 0.000 1.365 5909 M HN 0.165 nan 8.290 nan 0.000 0.411 5910 N N 0.660 119.280 118.700 -0.133 0.000 2.216 5910 N HA 0.002 4.742 4.740 0.000 0.000 0.183 5910 N C 1.850 177.221 175.510 -0.232 0.000 1.017 5910 N CA 1.101 54.065 53.050 -0.143 0.000 0.861 5910 N CB -0.259 38.272 38.487 0.073 0.000 0.986 5910 N HN 0.364 nan 8.380 nan 0.000 0.428 5911 I N 0.316 120.798 120.570 -0.148 0.000 2.252 5911 I HA -0.201 3.969 4.170 0.000 0.000 0.245 5911 I C 1.660 177.688 176.117 -0.148 0.000 1.102 5911 I CA 0.549 61.773 61.300 -0.126 0.000 1.385 5911 I CB -0.092 37.850 38.000 -0.096 0.000 1.064 5911 I HN 0.020 nan 8.210 nan 0.000 0.414 5912 L N 0.854 121.980 121.223 -0.162 0.000 2.127 5912 L HA -0.193 4.147 4.340 0.000 0.000 0.211 5912 L C 2.678 179.449 176.870 -0.166 0.000 1.089 5912 L CA 1.979 56.733 54.840 -0.144 0.000 0.757 5912 L CB -1.247 40.729 42.059 -0.137 0.000 0.899 5912 L HN 0.211 nan 8.230 nan 0.000 0.434 5913 A N -0.667 121.992 122.820 -0.268 0.000 1.908 5913 A HA -0.139 4.181 4.320 0.000 0.000 0.218 5913 A C 2.435 179.918 177.584 -0.168 0.000 1.181 5913 A CA 1.788 53.651 52.037 -0.290 0.000 0.627 5913 A CB -1.289 17.302 19.000 -0.682 0.000 0.818 5913 A HN 0.441 nan 8.150 nan 0.000 0.445 5914 G N -0.940 107.767 108.800 -0.154 0.000 2.402 5914 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 5914 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 5914 G C 1.727 176.589 174.900 -0.064 0.000 1.162 5914 G CA 0.861 45.912 45.100 -0.081 0.000 0.777 5914 G HN 0.450 nan 8.290 nan 0.000 0.539 5915 R N 0.503 120.959 120.500 -0.074 0.000 2.105 5915 R HA -0.025 4.315 4.340 0.000 0.000 0.239 5915 R C 2.511 178.780 176.300 -0.052 0.000 1.135 5915 R CA 1.122 57.187 56.100 -0.058 0.000 0.967 5915 R CB -0.476 29.788 30.300 -0.060 0.000 0.861 5915 R HN 0.456 nan 8.270 nan 0.000 0.442 5916 I N 0.813 121.348 120.570 -0.059 0.000 2.226 5916 I HA -0.307 3.863 4.170 0.000 0.000 0.245 5916 I C 2.214 178.311 176.117 -0.035 0.000 1.100 5916 I CA 0.845 62.117 61.300 -0.047 0.000 1.374 5916 I CB -0.229 37.741 38.000 -0.050 0.000 1.057 5916 I HN 0.114 nan 8.210 nan 0.000 0.413 5917 I N 1.028 121.577 120.570 -0.034 0.000 2.226 5917 I HA -0.254 3.916 4.170 0.000 0.000 0.245 5917 I C 2.850 178.954 176.117 -0.022 0.000 1.100 5917 I CA 1.691 62.978 61.300 -0.023 0.000 1.374 5917 I CB -1.558 36.431 38.000 -0.018 0.000 1.057 5917 I HN 0.183 nan 8.210 nan 0.000 0.413 5918 A N 0.451 123.255 122.820 -0.027 0.000 1.902 5918 A HA -0.197 4.123 4.320 0.000 0.000 0.217 5918 A C 2.231 179.799 177.584 -0.027 0.000 1.181 5918 A CA 1.443 53.464 52.037 -0.027 0.000 0.623 5918 A CB -0.609 18.373 19.000 -0.031 0.000 0.818 5918 A HN 0.470 nan 8.150 nan 0.000 0.443 5919 E N -0.897 119.286 120.200 -0.028 0.000 2.204 5919 E HA -0.106 4.244 4.350 0.000 0.000 0.194 5919 E C 1.946 178.532 176.600 -0.023 0.000 0.989 5919 E CA 1.397 57.781 56.400 -0.027 0.000 0.824 5919 E CB -0.185 29.498 29.700 -0.028 0.000 0.756 5919 E HN 0.629 nan 8.360 nan 0.000 0.477 5920 T N 0.692 115.234 114.554 -0.021 0.000 2.698 5920 T HA -0.113 4.237 4.350 0.000 0.000 0.260 5920 T C 2.174 176.864 174.700 -0.016 0.000 1.044 5920 T CA 1.544 63.634 62.100 -0.017 0.000 1.149 5920 T CB -0.151 68.709 68.868 -0.014 0.000 0.864 5920 T HN 0.190 nan 8.240 nan 0.000 0.419 5921 V N 2.134 122.038 119.914 -0.016 0.000 3.129 5921 V HA 0.031 4.151 4.120 0.000 0.000 0.259 5921 V C 2.320 178.403 176.094 -0.019 0.000 1.116 5921 V CA 1.079 63.370 62.300 -0.015 0.000 1.127 5921 V CB -1.049 30.766 31.823 -0.013 0.000 0.742 5921 V HN 0.478 nan 8.190 nan 0.000 0.474 5922 R N 2.773 123.259 120.500 -0.022 0.000 2.249 5922 R HA -0.134 4.206 4.340 0.000 0.000 0.230 5922 R C 2.015 178.299 176.300 -0.027 0.000 1.121 5922 R CA 1.780 57.864 56.100 -0.026 0.000 0.997 5922 R CB -1.208 29.074 30.300 -0.029 0.000 0.867 5922 R HN 0.706 nan 8.270 nan 0.000 0.465 5923 S N 0.292 115.978 115.700 -0.024 0.000 2.515 5923 S HA -0.084 4.386 4.470 0.000 0.000 0.231 5923 S C 1.733 176.317 174.600 -0.025 0.000 0.987 5923 S CA 0.865 59.050 58.200 -0.024 0.000 0.936 5923 S CB -0.056 63.132 63.200 -0.020 0.000 0.766 5923 S HN 0.588 nan 8.310 nan 0.000 0.528 5924 T N -0.686 113.854 114.554 -0.023 0.000 3.044 5924 T HA 0.390 4.740 4.350 0.000 0.000 0.250 5924 T C 0.512 175.196 174.700 -0.027 0.000 1.081 5924 T CA -0.476 61.611 62.100 -0.021 0.000 1.040 5924 T CB -0.500 68.360 68.868 -0.014 0.000 0.962 5924 T HN 0.301 nan 8.240 nan 0.000 0.506 5925 L N 2.221 123.425 121.223 -0.032 0.000 2.456 5925 L HA 0.504 4.844 4.340 0.000 0.000 0.272 5925 L C 1.194 178.034 176.870 -0.051 0.000 1.189 5925 L CA 0.942 55.760 54.840 -0.036 0.000 0.846 5925 L CB -0.157 41.880 42.059 -0.037 0.000 1.111 5925 L HN 0.670 nan 8.230 nan 0.000 0.475 5926 G N 3.186 111.956 108.800 -0.050 0.000 2.663 5926 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 5926 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 5926 G C -2.403 172.440 174.900 -0.095 0.000 1.246 5926 G CA -0.729 44.325 45.100 -0.076 0.000 0.795 5926 G HN 0.472 nan 8.290 nan 0.000 0.627 5927 P HA -0.009 nan 4.420 nan 0.000 0.218 5927 P C 1.255 178.366 177.300 -0.315 0.000 1.148 5927 P CA 1.294 64.287 63.100 -0.177 0.000 0.822 5927 P CB 0.159 31.708 31.700 -0.251 0.000 0.784 5928 K N -0.328 119.846 120.400 -0.378 0.000 2.576 5928 K HA 0.293 4.613 4.320 0.000 0.000 0.209 5928 K C 0.956 177.469 176.600 -0.145 0.000 1.049 5928 K CA -0.126 55.992 56.287 -0.281 0.000 1.140 5928 K CB -0.021 32.278 32.500 -0.335 0.000 0.871 5928 K HN 0.057 nan 8.250 nan 0.000 0.479 5929 G N 0.844 109.579 108.800 -0.109 0.000 2.634 5929 G HA2 0.238 4.198 3.960 0.000 0.000 0.255 5929 G HA3 0.238 4.198 3.960 0.000 0.000 0.255 5929 G C 0.281 175.154 174.900 -0.046 0.000 1.205 5929 G CA -0.393 44.666 45.100 -0.067 0.000 0.884 5929 G HN -0.027 nan 8.290 nan 0.000 0.549 5930 M N -0.152 119.427 119.600 -0.034 0.000 2.679 5930 M HA 0.441 4.921 4.480 0.000 0.000 0.287 5930 M C -0.589 175.703 176.300 -0.013 0.000 1.202 5930 M CA -0.640 54.647 55.300 -0.022 0.000 0.911 5930 M CB 1.270 33.858 32.600 -0.021 0.000 1.556 5930 M HN 0.344 nan 8.290 nan 0.000 0.511 5931 D N 0.138 120.534 120.400 -0.007 0.000 2.449 5931 D HA 0.600 5.240 4.640 0.000 0.000 0.250 5931 D C -0.699 175.602 176.300 0.001 0.000 1.050 5931 D CA -0.418 53.582 54.000 0.000 0.000 1.024 5931 D CB 1.496 42.301 40.800 0.007 0.000 1.218 5931 D HN 0.263 nan 8.370 nan 0.000 0.566 5932 K N 0.134 120.537 120.400 0.006 0.000 2.385 5932 K HA 0.546 4.866 4.320 0.000 0.000 0.248 5932 K C -0.799 175.811 176.600 0.016 0.000 0.955 5932 K CA -0.815 55.477 56.287 0.007 0.000 0.816 5932 K CB 2.824 35.327 32.500 0.005 0.000 1.250 5932 K HN 0.276 nan 8.250 nan 0.000 0.434 5933 M N 3.499 123.108 119.600 0.015 0.000 2.078 5933 M HA 0.313 4.793 4.480 0.000 0.000 0.320 5933 M C -1.871 174.443 176.300 0.024 0.000 0.969 5933 M CA -0.959 54.356 55.300 0.025 0.000 0.929 5933 M CB 0.577 33.186 32.600 0.014 0.000 1.504 5933 M HN 0.396 nan 8.290 nan 0.000 0.419 5934 L N 5.471 126.713 121.223 0.032 0.000 2.322 5934 L HA 0.625 4.965 4.340 0.000 0.000 0.281 5934 L C -0.880 176.010 176.870 0.032 0.000 1.014 5934 L CA -0.450 54.405 54.840 0.025 0.000 0.815 5934 L CB 2.163 44.234 42.059 0.019 0.000 1.247 5934 L HN 0.434 nan 8.230 nan 0.000 0.421 5935 V N 2.795 122.725 119.914 0.026 0.000 2.378 5935 V HA 0.358 4.478 4.120 0.000 0.000 0.288 5935 V C -0.312 175.793 176.094 0.019 0.000 1.016 5935 V CA -0.975 61.342 62.300 0.028 0.000 0.840 5935 V CB 1.449 33.288 31.823 0.026 0.000 0.994 5935 V HN 0.841 nan 8.190 nan 0.000 0.431 5936 D N 3.488 123.898 120.400 0.017 0.000 2.398 5936 D HA 0.002 4.642 4.640 0.000 0.000 0.264 5936 D C 1.032 177.338 176.300 0.010 0.000 1.263 5936 D CA -0.217 53.789 54.000 0.011 0.000 1.037 5936 D CB 0.470 41.274 40.800 0.007 0.000 1.101 5936 D HN 0.570 nan 8.370 nan 0.000 0.551 5937 D N -0.852 119.553 120.400 0.007 0.000 2.348 5937 D HA -0.122 4.518 4.640 0.000 0.000 0.216 5937 D C 1.659 177.963 176.300 0.006 0.000 0.970 5937 D CA 0.502 54.506 54.000 0.006 0.000 0.889 5937 D CB -0.155 40.648 40.800 0.005 0.000 0.912 5937 D HN 0.381 nan 8.370 nan 0.000 0.524 5938 L N -0.852 120.375 121.223 0.007 0.000 2.554 5938 L HA 0.306 4.646 4.340 0.000 0.000 0.225 5938 L C 1.848 178.724 176.870 0.010 0.000 1.104 5938 L CA 0.540 55.384 54.840 0.006 0.000 0.866 5938 L CB 0.261 42.322 42.059 0.004 0.000 1.047 5938 L HN 0.297 nan 8.230 nan 0.000 0.468 5939 G N -0.367 108.441 108.800 0.013 0.000 2.218 5939 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 5939 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 5939 G C 0.117 175.034 174.900 0.029 0.000 0.994 5939 G CA -0.021 45.090 45.100 0.020 0.000 0.637 5939 G HN 0.313 nan 8.290 nan 0.000 0.505 5940 D N 1.034 121.447 120.400 0.022 0.000 2.455 5940 D HA 0.394 5.034 4.640 0.000 0.000 0.241 5940 D C 0.484 176.811 176.300 0.045 0.000 1.138 5940 D CA 0.269 54.283 54.000 0.024 0.000 0.877 5940 D CB 1.237 42.036 40.800 -0.003 0.000 1.187 5940 D HN 0.272 nan 8.370 nan 0.000 0.451 5941 V N 4.369 124.340 119.914 0.094 0.000 2.398 5941 V HA 0.351 4.471 4.120 0.000 0.000 0.286 5941 V C 0.139 176.325 176.094 0.154 0.000 1.026 5941 V CA -0.806 61.593 62.300 0.164 0.000 0.868 5941 V CB 1.705 33.690 31.823 0.270 0.000 0.982 5941 V HN 0.346 nan 8.190 nan 0.000 0.443 5942 V N 5.483 125.462 119.914 0.109 0.000 2.495 5942 V HA 0.465 4.585 4.120 0.000 0.000 0.298 5942 V C -0.251 175.906 176.094 0.105 0.000 1.031 5942 V CA -0.646 61.696 62.300 0.070 0.000 0.871 5942 V CB 2.145 33.981 31.823 0.022 0.000 0.988 5942 V HN 0.598 nan 8.190 nan 0.000 0.432 5943 V N 4.195 124.181 119.914 0.120 0.000 2.347 5943 V HA 0.688 4.809 4.120 0.000 0.000 0.280 5943 V C 0.141 176.266 176.094 0.051 0.000 1.021 5943 V CA 0.059 62.413 62.300 0.091 0.000 0.847 5943 V CB 1.378 33.269 31.823 0.115 0.000 0.990 5943 V HN 1.004 nan 8.190 nan 0.000 0.444 5944 T N 2.926 117.500 114.554 0.034 0.000 2.821 5944 T HA 0.327 4.677 4.350 0.000 0.000 0.306 5944 T C 0.234 174.943 174.700 0.015 0.000 1.313 5944 T CA -0.416 61.697 62.100 0.022 0.000 1.012 5944 T CB 1.992 70.870 68.868 0.016 0.000 1.298 5944 T HN 0.634 nan 8.240 nan 0.000 0.502 5945 N N 1.040 119.747 118.700 0.011 0.000 2.210 5945 N HA 0.093 4.833 4.740 0.000 0.000 0.203 5945 N C -0.788 174.725 175.510 0.004 0.000 1.175 5945 N CA -0.020 53.034 53.050 0.006 0.000 0.894 5945 N CB 0.492 38.983 38.487 0.006 0.000 1.041 5945 N HN 0.571 nan 8.380 nan 0.000 0.506 5946 D N 0.286 120.690 120.400 0.006 0.000 2.412 5946 D HA 0.148 4.788 4.640 0.000 0.000 0.257 5946 D C 1.386 177.688 176.300 0.003 0.000 1.217 5946 D CA 0.267 54.269 54.000 0.004 0.000 0.897 5946 D CB 1.078 41.881 40.800 0.005 0.000 1.132 5946 D HN 0.305 nan 8.370 nan 0.000 0.493 5947 G N 1.818 110.618 108.800 0.001 0.000 2.421 5947 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 5947 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 5947 G C 1.584 176.485 174.900 0.001 0.000 1.171 5947 G CA 0.362 45.462 45.100 -0.001 0.000 0.775 5947 G HN 0.471 nan 8.290 nan 0.000 0.543 5948 V N 0.850 120.766 119.914 0.002 0.000 2.490 5948 V HA -0.150 3.970 4.120 0.000 0.000 0.250 5948 V C 2.952 179.048 176.094 0.003 0.000 1.061 5948 V CA 2.899 65.201 62.300 0.003 0.000 1.064 5948 V CB -0.624 31.201 31.823 0.004 0.000 0.670 5948 V HN 0.414 nan 8.190 nan 0.000 0.461 5949 T N 0.821 115.377 114.554 0.003 0.000 2.812 5949 T HA -0.052 4.298 4.350 0.000 0.000 0.264 5949 T C 1.848 176.551 174.700 0.004 0.000 1.042 5949 T CA 1.618 63.720 62.100 0.003 0.000 1.140 5949 T CB -0.185 68.686 68.868 0.004 0.000 0.870 5949 T HN 0.330 nan 8.240 nan 0.000 0.445 5950 I N 0.972 121.544 120.570 0.004 0.000 2.179 5950 I HA -0.069 4.101 4.170 0.000 0.000 0.242 5950 I C 2.176 178.295 176.117 0.004 0.000 1.088 5950 I CA 1.222 62.525 61.300 0.004 0.000 1.357 5950 I CB -1.196 36.805 38.000 0.002 0.000 1.051 5950 I HN 0.214 nan 8.210 nan 0.000 0.409 5951 L N 0.172 121.397 121.223 0.004 0.000 2.179 5951 L HA -0.042 4.298 4.340 0.000 0.000 0.208 5951 L C 2.607 179.481 176.870 0.006 0.000 1.096 5951 L CA 1.338 56.180 54.840 0.005 0.000 0.779 5951 L CB -0.964 41.098 42.059 0.004 0.000 0.922 5951 L HN 0.179 nan 8.230 nan 0.000 0.443 5952 R N -0.132 120.371 120.500 0.005 0.000 2.066 5952 R HA -0.118 4.222 4.340 0.000 0.000 0.232 5952 R C 1.935 178.239 176.300 0.005 0.000 1.131 5952 R CA 1.341 57.444 56.100 0.005 0.000 0.955 5952 R CB 0.032 30.334 30.300 0.004 0.000 0.851 5952 R HN 0.355 nan 8.270 nan 0.000 0.432 5953 E N 0.926 121.129 120.200 0.005 0.000 2.076 5953 E HA -0.063 4.287 4.350 0.000 0.000 0.190 5953 E C 1.259 177.863 176.600 0.007 0.000 0.979 5953 E CA 0.516 56.919 56.400 0.006 0.000 0.807 5953 E CB -0.257 29.447 29.700 0.006 0.000 0.761 5953 E HN 0.435 nan 8.360 nan 0.000 0.454 5954 M N -0.096 119.508 119.600 0.007 0.000 2.219 5954 M HA 0.069 4.549 4.480 0.000 0.000 0.307 5954 M C 0.459 176.764 176.300 0.009 0.000 1.116 5954 M CA 0.505 55.809 55.300 0.008 0.000 1.181 5954 M CB 0.546 33.150 32.600 0.007 0.000 1.410 5954 M HN -0.267 nan 8.290 nan 0.000 0.454 5955 S N 2.247 117.953 115.700 0.010 0.000 2.512 5955 S HA 0.467 4.937 4.470 0.000 0.000 0.291 5955 S C -0.757 173.852 174.600 0.015 0.000 1.151 5955 S CA -0.808 57.399 58.200 0.011 0.000 1.120 5955 S CB -0.139 63.067 63.200 0.010 0.000 1.029 5955 S HN 0.530 nan 8.310 nan 0.000 0.485 5956 V N 5.101 125.025 119.914 0.018 0.000 2.607 5956 V HA 0.375 4.495 4.120 0.000 0.000 0.289 5956 V C 0.858 176.972 176.094 0.033 0.000 1.053 5956 V CA -0.307 62.010 62.300 0.028 0.000 0.996 5956 V CB 1.564 33.405 31.823 0.030 0.000 0.995 5956 V HN 0.751 nan 8.190 nan 0.000 0.476 5957 E N 0.948 121.177 120.200 0.049 0.000 2.228 5957 E HA 0.077 4.427 4.350 0.000 0.000 0.197 5957 E C 0.715 177.348 176.600 0.055 0.000 0.909 5957 E CA 0.159 56.586 56.400 0.044 0.000 0.911 5957 E CB -0.047 29.679 29.700 0.043 0.000 0.887 5957 E HN 0.701 nan 8.360 nan 0.000 0.481 5958 H N 2.434 121.504 119.070 0.001 0.000 2.764 5958 H HA 0.050 4.606 4.556 -0.000 0.000 0.341 5958 H C -1.750 173.578 175.328 -0.001 0.000 1.072 5958 H CA -1.489 54.559 56.048 0.001 0.000 1.444 5958 H CB 1.605 31.365 29.762 -0.004 0.000 1.458 5958 H HN -0.209 nan 8.280 nan 0.000 0.572 5959 P HA -0.137 nan 4.420 nan 0.000 0.215 5959 P C 1.043 178.446 177.300 0.172 0.000 1.153 5959 P CA 2.171 65.285 63.100 0.024 0.000 0.853 5959 P CB 0.096 31.743 31.700 -0.089 0.000 0.788 5960 A N -0.124 122.955 122.820 0.433 0.000 1.898 5960 A HA -0.042 4.278 4.320 0.000 0.000 0.216 5960 A C 2.311 179.950 177.584 0.092 0.000 1.181 5960 A CA 1.881 54.043 52.037 0.209 0.000 0.620 5960 A CB -1.552 17.517 19.000 0.114 0.000 0.819 5960 A HN 0.185 nan 8.150 nan 0.000 0.442 5961 A N -0.157 122.723 122.820 0.099 0.000 1.972 5961 A HA -0.129 4.191 4.320 0.000 0.000 0.219 5961 A C 2.053 179.665 177.584 0.046 0.000 1.169 5961 A CA 1.699 53.758 52.037 0.036 0.000 0.635 5961 A CB -0.374 18.642 19.000 0.027 0.000 0.810 5961 A HN 0.540 nan 8.150 nan 0.000 0.446 5962 K N -0.916 119.526 120.400 0.070 0.000 2.211 5962 K HA -0.029 4.291 4.320 0.000 0.000 0.203 5962 K C 1.790 178.410 176.600 0.034 0.000 1.050 5962 K CA 1.105 57.418 56.287 0.044 0.000 0.945 5962 K CB -0.180 32.343 32.500 0.040 0.000 0.732 5962 K HN 0.354 nan 8.250 nan 0.000 0.451 5963 M N 0.234 119.857 119.600 0.039 0.000 2.229 5963 M HA -0.092 4.388 4.480 0.000 0.000 0.264 5963 M C 1.861 178.173 176.300 0.021 0.000 1.063 5963 M CA 1.221 56.538 55.300 0.029 0.000 1.114 5963 M CB -0.656 31.963 32.600 0.031 0.000 1.387 5963 M HN 0.073 nan 8.290 nan 0.000 0.420 5964 L N -0.019 121.215 121.223 0.017 0.000 2.201 5964 L HA -0.061 4.279 4.340 0.000 0.000 0.212 5964 L C 2.254 179.130 176.870 0.010 0.000 1.105 5964 L CA 1.195 56.041 54.840 0.010 0.000 0.775 5964 L CB -0.809 41.251 42.059 0.002 0.000 0.913 5964 L HN 0.214 nan 8.230 nan 0.000 0.440 5965 I N -0.941 119.637 120.570 0.013 0.000 2.226 5965 I HA -0.270 3.900 4.170 0.000 0.000 0.245 5965 I C 2.458 178.582 176.117 0.011 0.000 1.100 5965 I CA 1.000 62.307 61.300 0.011 0.000 1.374 5965 I CB -0.145 37.862 38.000 0.013 0.000 1.057 5965 I HN 0.230 nan 8.210 nan 0.000 0.413 5966 E N 0.866 121.074 120.200 0.014 0.000 2.110 5966 E HA -0.156 4.194 4.350 0.000 0.000 0.193 5966 E C 2.129 178.738 176.600 0.014 0.000 0.988 5966 E CA 1.126 57.534 56.400 0.013 0.000 0.804 5966 E CB -0.088 29.621 29.700 0.015 0.000 0.745 5966 E HN 0.241 nan 8.360 nan 0.000 0.458 5967 V N 0.601 120.523 119.914 0.015 0.000 2.343 5967 V HA -0.268 3.852 4.120 0.000 0.000 0.247 5967 V C 2.320 178.421 176.094 0.012 0.000 1.051 5967 V CA 1.845 64.155 62.300 0.015 0.000 1.036 5967 V CB -0.902 30.930 31.823 0.015 0.000 0.654 5967 V HN 0.443 nan 8.190 nan 0.000 0.451 5968 A N -0.506 122.319 122.820 0.009 0.000 1.930 5968 A HA -0.206 4.114 4.320 0.000 0.000 0.217 5968 A C 2.299 179.887 177.584 0.007 0.000 1.175 5968 A CA 1.761 53.802 52.037 0.007 0.000 0.627 5968 A CB -0.377 18.626 19.000 0.005 0.000 0.815 5968 A HN 0.538 nan 8.150 nan 0.000 0.443 5969 K N -0.578 119.827 120.400 0.008 0.000 2.097 5969 K HA -0.099 4.221 4.320 0.000 0.000 0.205 5969 K C 2.228 178.833 176.600 0.008 0.000 1.050 5969 K CA 1.715 58.007 56.287 0.007 0.000 0.938 5969 K CB -0.308 32.197 32.500 0.008 0.000 0.718 5969 K HN 0.732 nan 8.250 nan 0.000 0.442 5970 T N -1.205 113.355 114.554 0.010 0.000 2.904 5970 T HA -0.140 4.210 4.350 0.000 0.000 0.267 5970 T C 2.000 176.706 174.700 0.011 0.000 1.059 5970 T CA 0.841 62.948 62.100 0.011 0.000 1.137 5970 T CB 0.005 68.882 68.868 0.014 0.000 0.879 5970 T HN 0.012 nan 8.240 nan 0.000 0.467 5971 Q N 1.339 121.145 119.800 0.011 0.000 2.083 5971 Q HA -0.055 4.285 4.340 0.000 0.000 0.198 5971 Q C 2.394 178.399 176.000 0.008 0.000 0.969 5971 Q CA 1.570 57.379 55.803 0.010 0.000 0.838 5971 Q CB -0.415 28.329 28.738 0.009 0.000 0.900 5971 Q HN 0.625 nan 8.270 nan 0.000 0.436 5972 E N 0.542 120.746 120.200 0.007 0.000 2.051 5972 E HA -0.236 4.114 4.350 0.000 0.000 0.192 5972 E C 1.815 178.418 176.600 0.005 0.000 0.991 5972 E CA 1.478 57.882 56.400 0.005 0.000 0.799 5972 E CB -0.137 29.566 29.700 0.004 0.000 0.748 5972 E HN 0.367 nan 8.360 nan 0.000 0.449 5973 K N 0.166 120.569 120.400 0.005 0.000 2.057 5973 K HA -0.203 4.117 4.320 0.000 0.000 0.207 5973 K C 2.180 178.784 176.600 0.005 0.000 1.049 5973 K CA 1.767 58.057 56.287 0.005 0.000 0.931 5973 K CB -0.057 32.446 32.500 0.005 0.000 0.714 5973 K HN -0.066 nan 8.250 nan 0.000 0.440 5974 E N -0.416 119.788 120.200 0.007 0.000 2.086 5974 E HA -0.058 4.292 4.350 0.000 0.000 0.190 5974 E C 1.563 178.168 176.600 0.008 0.000 0.975 5974 E CA 1.107 57.512 56.400 0.008 0.000 0.813 5974 E CB 0.357 30.063 29.700 0.010 0.000 0.768 5974 E HN 0.132 nan 8.360 nan 0.000 0.457 5975 V N -1.592 118.327 119.914 0.008 0.000 2.806 5975 V HA 0.391 4.511 4.120 0.000 0.000 0.239 5975 V C 1.656 177.754 176.094 0.008 0.000 1.113 5975 V CA 0.850 63.155 62.300 0.008 0.000 1.137 5975 V CB 0.396 32.224 31.823 0.010 0.000 0.865 5975 V HN 0.506 nan 8.190 nan 0.000 0.482 5976 G N 0.131 108.935 108.800 0.007 0.000 4.391 5976 G HA2 -0.232 3.728 3.960 0.000 0.000 0.210 5976 G HA3 -0.232 3.728 3.960 0.000 0.000 0.210 5976 G C 0.143 175.047 174.900 0.007 0.000 1.547 5976 G CA 0.279 45.383 45.100 0.006 0.000 1.103 5976 G HN 0.441 nan 8.290 nan 0.000 0.637 5977 D N 1.706 122.111 120.400 0.008 0.000 2.387 5977 D HA 0.481 5.121 4.640 0.000 0.000 0.251 5977 D C 1.417 177.722 176.300 0.007 0.000 1.141 5977 D CA 1.264 55.269 54.000 0.009 0.000 0.987 5977 D CB 0.808 41.615 40.800 0.011 0.000 1.116 5977 D HN 1.722 nan 8.370 nan 0.000 0.491 5978 G N 0.431 109.234 108.800 0.006 0.000 2.143 5978 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 5978 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 5978 G C 1.010 175.910 174.900 0.001 0.000 0.981 5978 G CA 1.204 46.306 45.100 0.003 0.000 0.665 5978 G HN 0.613 nan 8.290 nan 0.000 0.528 5979 T N -3.144 111.411 114.554 0.002 0.000 2.821 5979 T HA -0.041 4.309 4.350 0.000 0.000 0.267 5979 T C 2.205 176.904 174.700 -0.002 0.000 1.046 5979 T CA 2.431 64.531 62.100 0.002 0.000 1.139 5979 T CB -0.409 68.460 68.868 0.002 0.000 0.871 5979 T HN 0.276 nan 8.240 nan 0.000 0.454 5980 T N 1.895 116.446 114.554 -0.005 0.000 2.812 5980 T HA -0.043 4.307 4.350 0.000 0.000 0.264 5980 T C 2.234 176.926 174.700 -0.014 0.000 1.042 5980 T CA 1.638 63.732 62.100 -0.010 0.000 1.140 5980 T CB -0.842 68.019 68.868 -0.012 0.000 0.870 5980 T HN 0.482 nan 8.240 nan 0.000 0.445 5981 T N 2.180 116.726 114.554 -0.013 0.000 2.684 5981 T HA -0.096 4.254 4.350 0.000 0.000 0.267 5981 T C 2.383 177.072 174.700 -0.018 0.000 1.036 5981 T CA 1.309 63.398 62.100 -0.018 0.000 1.148 5981 T CB -0.544 68.315 68.868 -0.014 0.000 0.863 5981 T HN 0.436 nan 8.240 nan 0.000 0.436 5982 A N 0.743 123.558 122.820 -0.009 0.000 1.902 5982 A HA -0.028 4.292 4.320 0.000 0.000 0.217 5982 A C 2.592 180.172 177.584 -0.006 0.000 1.181 5982 A CA 1.356 53.391 52.037 -0.003 0.000 0.623 5982 A CB -0.894 18.109 19.000 0.006 0.000 0.818 5982 A HN 0.365 nan 8.150 nan 0.000 0.443 5983 V N -0.962 118.948 119.914 -0.007 0.000 2.323 5983 V HA -0.176 3.944 4.120 0.000 0.000 0.244 5983 V C 2.468 178.552 176.094 -0.017 0.000 1.041 5983 V CA 1.789 64.084 62.300 -0.008 0.000 1.025 5983 V CB -0.634 31.185 31.823 -0.007 0.000 0.656 5983 V HN 0.375 nan 8.190 nan 0.000 0.451 5984 V N -0.376 119.525 119.914 -0.023 0.000 2.515 5984 V HA -0.168 3.952 4.120 0.000 0.000 0.250 5984 V C 2.322 178.391 176.094 -0.042 0.000 1.058 5984 V CA 1.934 64.216 62.300 -0.031 0.000 1.064 5984 V CB 0.317 32.121 31.823 -0.033 0.000 0.675 5984 V HN 0.386 nan 8.190 nan 0.000 0.461 5985 V N 0.342 120.227 119.914 -0.048 0.000 2.358 5985 V HA -0.153 3.967 4.120 0.000 0.000 0.246 5985 V C 2.770 178.828 176.094 -0.061 0.000 1.047 5985 V CA 1.890 64.144 62.300 -0.076 0.000 1.035 5985 V CB -1.069 30.701 31.823 -0.088 0.000 0.658 5985 V HN 0.618 nan 8.190 nan 0.000 0.452 5986 A N 0.496 123.300 122.820 -0.027 0.000 1.933 5986 A HA -0.097 4.223 4.320 0.000 0.000 0.218 5986 A C 2.374 179.954 177.584 -0.006 0.000 1.175 5986 A CA 1.997 54.034 52.037 -0.001 0.000 0.628 5986 A CB -1.082 17.923 19.000 0.008 0.000 0.814 5986 A HN 0.530 nan 8.150 nan 0.000 0.444 5987 G N -0.820 107.968 108.800 -0.020 0.000 2.394 5987 G HA2 -0.132 3.828 3.960 0.000 0.000 0.215 5987 G HA3 -0.132 3.828 3.960 0.000 0.000 0.215 5987 G C 1.463 176.348 174.900 -0.026 0.000 1.165 5987 G CA 1.140 46.224 45.100 -0.026 0.000 0.784 5987 G HN 0.532 nan 8.290 nan 0.000 0.535 5988 E N 0.329 120.511 120.200 -0.030 0.000 2.106 5988 E HA 0.035 4.385 4.350 0.000 0.000 0.192 5988 E C 2.498 179.095 176.600 -0.005 0.000 0.984 5988 E CA 0.473 56.854 56.400 -0.031 0.000 0.806 5988 E CB -0.330 29.337 29.700 -0.054 0.000 0.750 5988 E HN 0.426 nan 8.360 nan 0.000 0.458 5989 L N -0.328 120.900 121.223 0.009 0.000 2.046 5989 L HA -0.176 4.164 4.340 0.000 0.000 0.208 5989 L C 2.130 179.073 176.870 0.122 0.000 1.077 5989 L CA 0.527 55.447 54.840 0.133 0.000 0.747 5989 L CB -0.384 41.770 42.059 0.159 0.000 0.896 5989 L HN 0.229 nan 8.230 nan 0.000 0.432 5990 L N -0.245 120.991 121.223 0.022 0.000 2.083 5990 L HA -0.191 4.149 4.340 0.000 0.000 0.209 5990 L C 2.703 179.557 176.870 -0.027 0.000 1.083 5990 L CA 1.601 56.422 54.840 -0.033 0.000 0.752 5990 L CB -0.802 41.231 42.059 -0.044 0.000 0.899 5990 L HN 0.183 nan 8.230 nan 0.000 0.433 5991 R N -0.653 119.841 120.500 -0.011 0.000 2.073 5991 R HA -0.140 4.200 4.340 0.000 0.000 0.234 5991 R C 2.104 178.409 176.300 0.007 0.000 1.134 5991 R CA 1.149 57.240 56.100 -0.014 0.000 0.952 5991 R CB 0.053 30.343 30.300 -0.018 0.000 0.850 5991 R HN 0.132 nan 8.270 nan 0.000 0.433 5992 K N 0.113 120.540 120.400 0.044 0.000 2.155 5992 K HA 0.009 4.329 4.320 0.000 0.000 0.203 5992 K C 1.908 178.576 176.600 0.112 0.000 1.052 5992 K CA 1.091 57.426 56.287 0.080 0.000 0.948 5992 K CB -0.132 32.432 32.500 0.106 0.000 0.728 5992 K HN 0.258 nan 8.250 nan 0.000 0.448 5993 A N 1.588 124.470 122.820 0.102 0.000 1.930 5993 A HA -0.162 4.158 4.320 0.000 0.000 0.217 5993 A C 2.155 179.719 177.584 -0.033 0.000 1.175 5993 A CA 1.328 53.361 52.037 -0.007 0.000 0.627 5993 A CB -0.236 18.623 19.000 -0.234 0.000 0.815 5993 A HN 0.220 nan 8.150 nan 0.000 0.443 5994 E N -0.116 120.064 120.200 -0.033 0.000 2.106 5994 E HA -0.208 4.142 4.350 0.000 0.000 0.192 5994 E C 1.940 178.527 176.600 -0.021 0.000 0.984 5994 E CA 1.482 57.858 56.400 -0.040 0.000 0.806 5994 E CB -0.099 29.572 29.700 -0.048 0.000 0.750 5994 E HN 0.625 nan 8.360 nan 0.000 0.458 5995 E N 0.492 120.690 120.200 -0.004 0.000 2.153 5995 E HA -0.157 4.193 4.350 0.000 0.000 0.194 5995 E C 2.047 178.655 176.600 0.013 0.000 0.988 5995 E CA 0.598 57.000 56.400 0.004 0.000 0.811 5995 E CB -0.327 29.381 29.700 0.012 0.000 0.746 5995 E HN 0.182 nan 8.360 nan 0.000 0.466 5996 L N -0.130 121.109 121.223 0.028 0.000 2.109 5996 L HA 0.011 4.351 4.340 0.000 0.000 0.207 5996 L C 2.010 178.888 176.870 0.013 0.000 1.086 5996 L CA 1.421 56.283 54.840 0.038 0.000 0.760 5996 L CB -0.318 41.790 42.059 0.082 0.000 0.910 5996 L HN 0.240 nan 8.230 nan 0.000 0.437 5997 L N -0.733 120.484 121.223 -0.010 0.000 2.141 5997 L HA -0.188 4.152 4.340 0.000 0.000 0.209 5997 L C 2.147 179.003 176.870 -0.023 0.000 1.094 5997 L CA 1.424 56.245 54.840 -0.030 0.000 0.763 5997 L CB -0.599 41.428 42.059 -0.053 0.000 0.908 5997 L HN 0.317 nan 8.230 nan 0.000 0.437 5998 D N -0.571 119.819 120.400 -0.017 0.000 2.178 5998 D HA -0.187 4.454 4.640 0.000 0.000 0.202 5998 D C 2.077 178.375 176.300 -0.005 0.000 0.974 5998 D CA 0.858 54.851 54.000 -0.013 0.000 0.841 5998 D CB 0.192 40.984 40.800 -0.013 0.000 0.953 5998 D HN 0.144 nan 8.370 nan 0.000 0.478 5999 Q N 0.190 119.991 119.800 0.002 0.000 2.482 5999 Q HA 0.024 4.364 4.340 0.000 0.000 0.209 5999 Q C -0.033 175.973 176.000 0.010 0.000 0.961 5999 Q CA 0.272 56.079 55.803 0.008 0.000 0.945 5999 Q CB -0.062 28.684 28.738 0.014 0.000 1.012 5999 Q HN 0.360 nan 8.270 nan 0.000 0.515 6000 N N -0.258 118.445 118.700 0.005 0.000 2.780 6000 N HA -0.127 4.613 4.740 0.000 0.000 0.247 6000 N C -1.185 174.340 175.510 0.024 0.000 1.076 6000 N CA 0.352 53.407 53.050 0.008 0.000 0.688 6000 N CB -1.629 36.866 38.487 0.014 0.000 0.957 6000 N HN -0.015 nan 8.380 nan 0.000 0.551 6001 V N 1.660 121.587 119.914 0.021 0.000 2.350 6001 V HA 0.129 4.249 4.120 0.000 0.000 0.276 6001 V C 0.982 177.101 176.094 0.041 0.000 1.028 6001 V CA -0.732 61.594 62.300 0.044 0.000 0.860 6001 V CB 1.438 33.288 31.823 0.046 0.000 0.990 6001 V HN 0.324 nan 8.190 nan 0.000 0.453 6002 H N 8.024 127.097 119.070 0.005 0.000 3.001 6002 H HA 0.036 4.593 4.556 0.000 0.000 0.334 6002 H C -1.698 173.630 175.328 -0.002 0.000 1.034 6002 H CA -1.055 54.994 56.048 0.002 0.000 1.420 6002 H CB 1.686 31.449 29.762 0.002 0.000 1.405 6002 H HN 0.376 nan 8.280 nan 0.000 0.593 6003 P HA -0.173 nan 4.420 nan 0.000 0.218 6003 P C 1.501 178.856 177.300 0.091 0.000 1.146 6003 P CA 1.695 64.736 63.100 -0.099 0.000 0.820 6003 P CB 0.033 31.619 31.700 -0.191 0.000 0.778 6004 T N -1.872 112.903 114.554 0.368 0.000 2.929 6004 T HA -0.098 4.252 4.350 0.000 0.000 0.271 6004 T C 1.505 176.275 174.700 0.116 0.000 1.085 6004 T CA 0.847 63.077 62.100 0.218 0.000 1.125 6004 T CB -0.472 68.483 68.868 0.145 0.000 0.874 6004 T HN -0.146 nan 8.240 nan 0.000 0.494 6005 I N 0.120 120.764 120.570 0.124 0.000 2.385 6005 I HA 0.072 4.242 4.170 0.000 0.000 0.244 6005 I C 2.562 178.730 176.117 0.086 0.000 1.089 6005 I CA 0.651 62.001 61.300 0.083 0.000 1.410 6005 I CB -1.528 36.521 38.000 0.082 0.000 1.117 6005 I HN 0.113 nan 8.210 nan 0.000 0.429 6006 V N 1.080 121.039 119.914 0.074 0.000 2.469 6006 V HA -0.215 3.905 4.120 0.000 0.000 0.251 6006 V C 2.547 178.675 176.094 0.056 0.000 1.064 6006 V CA 1.587 63.931 62.300 0.074 0.000 1.066 6006 V CB -0.085 31.698 31.823 -0.066 0.000 0.667 6006 V HN 0.184 nan 8.190 nan 0.000 0.461 6007 V N -0.082 119.845 119.914 0.022 0.000 2.427 6007 V HA -0.234 3.886 4.120 0.000 0.000 0.248 6007 V C 2.391 178.530 176.094 0.076 0.000 1.051 6007 V CA 2.490 64.806 62.300 0.028 0.000 1.048 6007 V CB -0.679 31.155 31.823 0.018 0.000 0.666 6007 V HN 0.608 nan 8.190 nan 0.000 0.456 6008 K N 0.206 120.648 120.400 0.070 0.000 2.021 6008 K HA -0.068 4.252 4.320 0.000 0.000 0.205 6008 K C 2.191 178.818 176.600 0.044 0.000 1.047 6008 K CA 1.422 57.737 56.287 0.046 0.000 0.943 6008 K CB -0.538 31.978 32.500 0.027 0.000 0.725 6008 K HN 0.439 nan 8.250 nan 0.000 0.439 6009 G N -0.204 108.641 108.800 0.075 0.000 2.408 6009 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 6009 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 6009 G C 1.147 176.038 174.900 -0.015 0.000 1.150 6009 G CA 0.670 45.782 45.100 0.019 0.000 0.776 6009 G HN 0.285 nan 8.290 nan 0.000 0.542 6010 Y N 0.409 120.679 120.300 -0.051 0.000 2.293 6010 Y HA -0.078 4.472 4.550 0.000 0.000 0.291 6010 Y C 2.981 178.779 175.900 -0.170 0.000 1.137 6010 Y CA 1.368 59.433 58.100 -0.058 0.000 1.202 6010 Y CB -0.095 38.428 38.460 0.105 0.000 0.990 6010 Y HN 0.195 nan 8.280 nan 0.000 0.537 6011 Q N 0.368 120.204 119.800 0.060 0.000 2.049 6011 Q HA -0.140 4.200 4.340 0.000 0.000 0.198 6011 Q C 2.397 178.352 176.000 -0.075 0.000 0.971 6011 Q CA 1.493 57.298 55.803 0.003 0.000 0.833 6011 Q CB -0.315 28.439 28.738 0.027 0.000 0.896 6011 Q HN 0.444 nan 8.270 nan 0.000 0.434 6012 A N 0.923 123.694 122.820 -0.082 0.000 1.877 6012 A HA -0.086 4.234 4.320 0.000 0.000 0.216 6012 A C 2.326 179.879 177.584 -0.051 0.000 1.186 6012 A CA 2.178 54.186 52.037 -0.048 0.000 0.620 6012 A CB -0.919 18.026 19.000 -0.090 0.000 0.822 6012 A HN 0.495 nan 8.150 nan 0.000 0.443 6013 A N -0.354 122.285 122.820 -0.302 0.000 1.930 6013 A HA 0.221 4.541 4.320 0.000 0.000 0.217 6013 A C 2.479 179.596 177.584 -0.779 0.000 1.175 6013 A CA 1.943 53.661 52.037 -0.533 0.000 0.627 6013 A CB -0.918 17.509 19.000 -0.956 0.000 0.815 6013 A HN 1.019 nan 8.150 nan 0.000 0.443 6014 A N -0.785 121.510 122.820 -0.875 0.000 1.898 6014 A HA -0.195 4.125 4.320 0.000 0.000 0.216 6014 A C 2.186 179.706 177.584 -0.107 0.000 1.181 6014 A CA 1.738 53.563 52.037 -0.355 0.000 0.620 6014 A CB -0.558 18.384 19.000 -0.097 0.000 0.819 6014 A HN 0.643 nan 8.150 nan 0.000 0.442 6015 Q N -0.701 119.042 119.800 -0.095 0.000 2.119 6015 Q HA -0.224 4.116 4.340 0.000 0.000 0.201 6015 Q C 2.018 177.989 176.000 -0.047 0.000 0.972 6015 Q CA 1.900 57.681 55.803 -0.037 0.000 0.847 6015 Q CB -0.063 28.667 28.738 -0.015 0.000 0.903 6015 Q HN 0.453 nan 8.270 nan 0.000 0.433 6016 K N 0.273 120.629 120.400 -0.073 0.000 2.103 6016 K HA 0.002 4.322 4.320 0.000 0.000 0.204 6016 K C 1.699 178.247 176.600 -0.086 0.000 1.052 6016 K CA 1.303 57.506 56.287 -0.140 0.000 0.945 6016 K CB -0.473 31.855 32.500 -0.288 0.000 0.722 6016 K HN 0.266 nan 8.250 nan 0.000 0.443 6017 A N 0.697 123.497 122.820 -0.033 0.000 1.933 6017 A HA -0.227 4.093 4.320 0.000 0.000 0.218 6017 A C 2.205 179.812 177.584 0.039 0.000 1.175 6017 A CA 1.832 53.901 52.037 0.053 0.000 0.628 6017 A CB -0.637 18.483 19.000 0.199 0.000 0.814 6017 A HN 0.580 nan 8.150 nan 0.000 0.444 6018 Q N -0.344 119.471 119.800 0.025 0.000 2.084 6018 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 6018 Q C 1.898 177.898 176.000 0.001 0.000 0.978 6018 Q CA 1.822 57.637 55.803 0.020 0.000 0.844 6018 Q CB -0.158 28.590 28.738 0.017 0.000 0.898 6018 Q HN 0.788 nan 8.270 nan 0.000 0.426 6019 E N 0.227 120.415 120.200 -0.020 0.000 2.110 6019 E HA -0.168 4.182 4.350 0.000 0.000 0.193 6019 E C 2.145 178.728 176.600 -0.028 0.000 0.988 6019 E CA 1.040 57.421 56.400 -0.031 0.000 0.804 6019 E CB -0.042 29.623 29.700 -0.058 0.000 0.745 6019 E HN 0.393 nan 8.360 nan 0.000 0.458 6020 L N 0.616 121.821 121.223 -0.030 0.000 2.056 6020 L HA -0.188 4.152 4.340 0.000 0.000 0.207 6020 L C 2.434 179.307 176.870 0.004 0.000 1.078 6020 L CA 0.836 55.666 54.840 -0.017 0.000 0.749 6020 L CB -0.346 41.705 42.059 -0.015 0.000 0.901 6020 L HN 0.174 nan 8.230 nan 0.000 0.433 6021 L N -0.378 120.852 121.223 0.011 0.000 2.046 6021 L HA -0.211 4.129 4.340 0.000 0.000 0.208 6021 L C 2.590 179.467 176.870 0.012 0.000 1.077 6021 L CA 1.387 56.236 54.840 0.016 0.000 0.747 6021 L CB -0.432 41.639 42.059 0.021 0.000 0.896 6021 L HN 0.211 nan 8.230 nan 0.000 0.432 6022 K N -0.810 119.593 120.400 0.006 0.000 2.217 6022 K HA -0.080 4.240 4.320 0.000 0.000 0.202 6022 K C 2.057 178.658 176.600 0.001 0.000 1.051 6022 K CA 1.435 57.724 56.287 0.004 0.000 0.952 6022 K CB -0.137 32.363 32.500 -0.000 0.000 0.736 6022 K HN 0.275 nan 8.250 nan 0.000 0.453 6023 T N 2.059 116.612 114.554 -0.002 0.000 2.737 6023 T HA -0.077 4.273 4.350 0.000 0.000 0.265 6023 T C 1.898 176.601 174.700 0.005 0.000 1.038 6023 T CA 1.315 63.413 62.100 -0.003 0.000 1.144 6023 T CB -0.147 68.715 68.868 -0.010 0.000 0.866 6023 T HN 0.376 nan 8.240 nan 0.000 0.434 6024 I N -0.030 120.549 120.570 0.014 0.000 3.251 6024 I HA 0.395 4.565 4.170 0.000 0.000 0.277 6024 I C 1.113 177.241 176.117 0.018 0.000 1.268 6024 I CA -0.447 60.866 61.300 0.022 0.000 1.449 6024 I CB -0.556 37.470 38.000 0.042 0.000 1.083 6024 I HN -0.041 nan 8.210 nan 0.000 0.464 6025 A N 1.575 124.403 122.820 0.014 0.000 2.566 6025 A HA 0.124 4.444 4.320 0.000 0.000 0.245 6025 A C 0.111 177.701 177.584 0.010 0.000 1.056 6025 A CA -0.005 52.040 52.037 0.013 0.000 0.757 6025 A CB -0.300 18.706 19.000 0.010 0.000 0.979 6025 A HN 0.639 nan 8.150 nan 0.000 0.508 6026 C N 3.469 122.776 119.300 0.011 0.000 2.295 6026 C HA 0.482 4.942 4.460 0.000 0.000 0.331 6026 C C 0.523 175.517 174.990 0.007 0.000 1.280 6026 C CA -0.652 58.371 59.018 0.008 0.000 1.746 6026 C CB -0.291 27.454 27.740 0.009 0.000 2.328 6026 C HN 0.946 nan 8.230 nan 0.000 0.521 6027 E N 3.803 124.006 120.200 0.005 0.000 2.366 6027 E HA 0.424 4.774 4.350 0.000 0.000 0.266 6027 E C -0.258 176.344 176.600 0.004 0.000 1.015 6027 E CA -0.025 56.378 56.400 0.004 0.000 0.906 6027 E CB 0.728 30.430 29.700 0.003 0.000 0.979 6027 E HN 0.716 nan 8.360 nan 0.000 0.443 6028 V N 1.048 120.964 119.914 0.005 0.000 3.102 6028 V HA 0.718 4.838 4.120 0.000 0.000 0.312 6028 V C 0.363 176.459 176.094 0.004 0.000 1.135 6028 V CA -0.687 61.616 62.300 0.004 0.000 1.022 6028 V CB 1.505 33.331 31.823 0.005 0.000 1.056 6028 V HN 0.702 nan 8.190 nan 0.000 0.436 6029 G N 0.528 109.330 108.800 0.003 0.000 2.313 6029 G HA2 0.460 4.420 3.960 0.000 0.000 0.250 6029 G HA3 0.460 4.420 3.960 0.000 0.000 0.250 6029 G C 0.989 175.892 174.900 0.004 0.000 1.281 6029 G CA 0.223 45.325 45.100 0.003 0.000 0.917 6029 G HN 1.661 nan 8.290 nan 0.000 0.501 6030 A N 2.541 125.363 122.820 0.004 0.000 1.908 6030 A HA -0.093 4.227 4.320 0.000 0.000 0.218 6030 A C 2.057 179.644 177.584 0.004 0.000 1.181 6030 A CA 1.298 53.338 52.037 0.004 0.000 0.627 6030 A CB -0.068 18.934 19.000 0.004 0.000 0.818 6030 A HN 0.569 nan 8.150 nan 0.000 0.445 6031 Q N -0.316 119.486 119.800 0.004 0.000 2.198 6031 Q HA 0.058 4.398 4.340 0.000 0.000 0.209 6031 Q C -0.732 175.270 176.000 0.004 0.000 0.848 6031 Q CA -0.111 55.694 55.803 0.004 0.000 0.974 6031 Q CB 0.078 28.819 28.738 0.005 0.000 1.115 6031 Q HN 0.745 nan 8.270 nan 0.000 0.494 6032 D N 1.145 121.547 120.400 0.004 0.000 2.389 6032 D HA -0.050 4.590 4.640 0.000 0.000 0.263 6032 D C 1.226 177.528 176.300 0.003 0.000 1.255 6032 D CA 0.144 54.146 54.000 0.003 0.000 0.914 6032 D CB 0.874 41.676 40.800 0.003 0.000 1.116 6032 D HN -0.227 nan 8.370 nan 0.000 0.502 6033 K N 3.628 124.030 120.400 0.003 0.000 2.015 6033 K HA -0.300 4.020 4.320 0.000 0.000 0.220 6033 K C 1.582 178.184 176.600 0.002 0.000 1.055 6033 K CA 2.238 58.527 56.287 0.003 0.000 0.951 6033 K CB -0.298 32.203 32.500 0.002 0.000 0.725 6033 K HN 0.682 nan 8.250 nan 0.000 0.449 6034 E N -0.544 119.657 120.200 0.001 0.000 2.048 6034 E HA -0.243 4.107 4.350 0.000 0.000 0.202 6034 E C 2.029 178.629 176.600 0.001 0.000 1.021 6034 E CA 1.898 58.297 56.400 -0.001 0.000 0.825 6034 E CB -0.325 29.374 29.700 -0.001 0.000 0.756 6034 E HN 0.353 nan 8.360 nan 0.000 0.454 6035 I N 0.360 120.932 120.570 0.002 0.000 2.493 6035 I HA -0.183 3.987 4.170 0.000 0.000 0.254 6035 I C 1.860 177.980 176.117 0.006 0.000 1.160 6035 I CA 0.712 62.014 61.300 0.004 0.000 1.445 6035 I CB 0.002 38.005 38.000 0.005 0.000 1.086 6035 I HN 0.199 nan 8.210 nan 0.000 0.433 6036 L N -0.103 121.123 121.223 0.005 0.000 2.156 6036 L HA -0.094 4.246 4.340 0.000 0.000 0.208 6036 L C 2.631 179.505 176.870 0.006 0.000 1.095 6036 L CA 2.122 56.966 54.840 0.006 0.000 0.770 6036 L CB -1.437 40.626 42.059 0.006 0.000 0.914 6036 L HN 0.448 nan 8.230 nan 0.000 0.439 6037 T N -4.399 110.157 114.554 0.004 0.000 2.942 6037 T HA -0.108 4.242 4.350 0.000 0.000 0.265 6037 T C 1.893 176.594 174.700 0.003 0.000 1.062 6037 T CA 0.622 62.724 62.100 0.003 0.000 1.139 6037 T CB -0.146 68.722 68.868 -0.000 0.000 0.883 6037 T HN 0.185 nan 8.240 nan 0.000 0.468 6038 K N 0.757 121.159 120.400 0.003 0.000 2.097 6038 K HA 0.162 4.482 4.320 0.000 0.000 0.205 6038 K C 2.158 178.766 176.600 0.014 0.000 1.050 6038 K CA 1.107 57.397 56.287 0.005 0.000 0.938 6038 K CB -0.334 32.168 32.500 0.004 0.000 0.718 6038 K HN 0.373 nan 8.250 nan 0.000 0.442 6039 I N 1.032 121.610 120.570 0.014 0.000 2.163 6039 I HA -0.279 3.891 4.170 0.000 0.000 0.240 6039 I C 2.530 178.659 176.117 0.020 0.000 1.081 6039 I CA 1.142 62.452 61.300 0.018 0.000 1.353 6039 I CB -0.392 37.616 38.000 0.014 0.000 1.054 6039 I HN 0.132 nan 8.210 nan 0.000 0.407 6040 A N 0.653 123.483 122.820 0.016 0.000 1.883 6040 A HA -0.250 4.070 4.320 0.000 0.000 0.217 6040 A C 2.380 179.977 177.584 0.021 0.000 1.186 6040 A CA 1.860 53.907 52.037 0.016 0.000 0.624 6040 A CB -0.636 18.371 19.000 0.012 0.000 0.822 6040 A HN 0.340 nan 8.150 nan 0.000 0.444 6041 M N -0.305 119.306 119.600 0.019 0.000 2.086 6041 M HA -0.136 4.344 4.480 0.000 0.000 0.261 6041 M C 2.450 178.778 176.300 0.048 0.000 1.067 6041 M CA 2.094 57.408 55.300 0.023 0.000 1.116 6041 M CB -0.780 31.822 32.600 0.004 0.000 1.348 6041 M HN 0.711 nan 8.290 nan 0.000 0.407 6042 T N -2.693 111.892 114.554 0.052 0.000 2.915 6042 T HA -0.088 4.262 4.350 0.000 0.000 0.269 6042 T C 1.870 176.609 174.700 0.066 0.000 1.071 6042 T CA 1.547 63.695 62.100 0.080 0.000 1.132 6042 T CB -0.448 68.461 68.868 0.069 0.000 0.878 6042 T HN 0.317 nan 8.240 nan 0.000 0.479 6043 S N 1.111 116.838 115.700 0.045 0.000 2.355 6043 S HA 0.013 4.483 4.470 0.000 0.000 0.222 6043 S C 2.007 176.630 174.600 0.038 0.000 1.031 6043 S CA 0.879 59.100 58.200 0.035 0.000 0.993 6043 S CB -0.619 62.596 63.200 0.025 0.000 0.859 6043 S HN 0.598 nan 8.310 nan 0.000 0.453 6044 I N 1.757 122.352 120.570 0.042 0.000 2.361 6044 I HA -0.088 4.082 4.170 0.000 0.000 0.251 6044 I C 1.306 177.459 176.117 0.060 0.000 1.133 6044 I CA 0.876 62.202 61.300 0.044 0.000 1.413 6044 I CB -0.896 37.128 38.000 0.040 0.000 1.073 6044 I HN 0.444 nan 8.210 nan 0.000 0.424 6045 T N -0.619 113.989 114.554 0.089 0.000 2.903 6045 T HA 0.309 4.659 4.350 0.000 0.000 0.314 6045 T C 1.179 175.912 174.700 0.055 0.000 1.078 6045 T CA 0.103 62.278 62.100 0.124 0.000 1.114 6045 T CB 1.250 70.264 68.868 0.245 0.000 0.987 6045 T HN 0.595 nan 8.240 nan 0.000 0.548 6046 G N 1.298 110.113 108.800 0.026 0.000 2.159 6046 G HA2 -0.205 3.755 3.960 0.000 0.000 0.256 6046 G HA3 -0.205 3.755 3.960 0.000 0.000 0.256 6046 G C -0.077 174.824 174.900 0.002 0.000 0.977 6046 G CA 0.412 45.503 45.100 -0.015 0.000 0.652 6046 G HN 0.946 nan 8.290 nan 0.000 0.531 6047 K N -0.988 119.425 120.400 0.021 0.000 2.395 6047 K HA 0.596 4.916 4.320 0.000 0.000 0.247 6047 K C 1.482 178.099 176.600 0.029 0.000 0.973 6047 K CA -0.608 55.693 56.287 0.022 0.000 0.828 6047 K CB 1.488 34.003 32.500 0.025 0.000 1.272 6047 K HN 0.188 nan 8.250 nan 0.000 0.439 6048 G N 0.622 109.438 108.800 0.027 0.000 2.462 6048 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 6048 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 6048 G C 1.197 176.118 174.900 0.034 0.000 1.121 6048 G CA 1.220 46.338 45.100 0.030 0.000 0.758 6048 G HN 0.624 nan 8.290 nan 0.000 0.559 6049 A N 1.295 124.135 122.820 0.034 0.000 2.168 6049 A HA 0.102 4.422 4.320 0.000 0.000 0.215 6049 A C 2.105 179.712 177.584 0.039 0.000 1.152 6049 A CA 1.480 53.537 52.037 0.033 0.000 0.716 6049 A CB -0.347 18.670 19.000 0.029 0.000 0.794 6049 A HN 0.649 nan 8.150 nan 0.000 0.465 6050 E N 1.495 121.725 120.200 0.051 0.000 2.267 6050 E HA -0.301 4.049 4.350 0.000 0.000 0.197 6050 E C 1.632 178.267 176.600 0.058 0.000 0.998 6050 E CA 1.394 57.835 56.400 0.069 0.000 0.830 6050 E CB -0.562 29.204 29.700 0.111 0.000 0.751 6050 E HN 0.782 nan 8.360 nan 0.000 0.491 6051 K N 0.930 121.359 120.400 0.048 0.000 2.218 6051 K HA -0.108 4.212 4.320 0.000 0.000 0.205 6051 K C 1.313 177.927 176.600 0.024 0.000 1.046 6051 K CA 1.579 57.888 56.287 0.037 0.000 0.933 6051 K CB -0.070 32.450 32.500 0.032 0.000 0.728 6051 K HN 0.164 nan 8.250 nan 0.000 0.454 6052 A N 1.697 124.530 122.820 0.023 0.000 2.674 6052 A HA 0.167 4.487 4.320 0.000 0.000 0.286 6052 A C 1.094 178.687 177.584 0.014 0.000 0.980 6052 A CA -0.678 51.368 52.037 0.015 0.000 1.028 6052 A CB 0.068 19.077 19.000 0.015 0.000 1.199 6052 A HN 0.408 nan 8.150 nan 0.000 0.499 6053 K N -0.131 120.279 120.400 0.016 0.000 2.280 6053 K HA -0.151 4.169 4.320 0.000 0.000 0.202 6053 K C 0.813 177.417 176.600 0.006 0.000 1.047 6053 K CA 1.809 58.105 56.287 0.016 0.000 0.942 6053 K CB -0.027 32.488 32.500 0.025 0.000 0.739 6053 K HN 0.311 nan 8.250 nan 0.000 0.457 6054 E N 1.549 121.748 120.200 -0.003 0.000 2.072 6054 E HA -0.135 4.215 4.350 0.000 0.000 0.190 6054 E C 1.886 178.485 176.600 -0.002 0.000 0.982 6054 E CA 1.235 57.630 56.400 -0.008 0.000 0.803 6054 E CB -0.037 29.654 29.700 -0.015 0.000 0.755 6054 E HN 0.251 nan 8.360 nan 0.000 0.453 6055 K N 0.651 121.052 120.400 0.002 0.000 2.097 6055 K HA -0.030 4.290 4.320 0.000 0.000 0.205 6055 K C 1.763 178.368 176.600 0.008 0.000 1.050 6055 K CA 0.932 57.222 56.287 0.005 0.000 0.938 6055 K CB -0.211 32.293 32.500 0.007 0.000 0.718 6055 K HN 0.084 nan 8.250 nan 0.000 0.442 6056 L N -0.166 121.062 121.223 0.010 0.000 2.056 6056 L HA -0.088 4.252 4.340 0.000 0.000 0.207 6056 L C 2.450 179.327 176.870 0.010 0.000 1.078 6056 L CA 1.205 56.052 54.840 0.012 0.000 0.749 6056 L CB -0.636 41.432 42.059 0.015 0.000 0.901 6056 L HN 0.254 nan 8.230 nan 0.000 0.433 6057 A N -0.158 122.668 122.820 0.009 0.000 1.933 6057 A HA -0.264 4.056 4.320 0.000 0.000 0.218 6057 A C 2.258 179.846 177.584 0.006 0.000 1.175 6057 A CA 1.887 53.928 52.037 0.008 0.000 0.628 6057 A CB -0.501 18.502 19.000 0.005 0.000 0.814 6057 A HN 0.494 nan 8.150 nan 0.000 0.444 6058 E N 0.320 120.523 120.200 0.005 0.000 2.031 6058 E HA -0.203 4.147 4.350 0.000 0.000 0.193 6058 E C 1.937 178.541 176.600 0.007 0.000 0.994 6058 E CA 1.759 58.162 56.400 0.005 0.000 0.800 6058 E CB -0.334 29.369 29.700 0.004 0.000 0.752 6058 E HN 0.773 nan 8.360 nan 0.000 0.447 6059 I N -1.660 118.915 120.570 0.009 0.000 2.676 6059 I HA -0.065 4.105 4.170 0.000 0.000 0.259 6059 I C 1.896 178.019 176.117 0.011 0.000 1.194 6059 I CA 0.511 61.818 61.300 0.011 0.000 1.473 6059 I CB -0.059 37.950 38.000 0.014 0.000 1.096 6059 I HN 0.044 nan 8.210 nan 0.000 0.443 6060 I N 0.837 121.412 120.570 0.010 0.000 2.406 6060 I HA -0.101 4.069 4.170 0.000 0.000 0.249 6060 I C 2.373 178.495 176.117 0.008 0.000 1.122 6060 I CA 1.051 62.356 61.300 0.009 0.000 1.431 6060 I CB -0.145 37.861 38.000 0.009 0.000 1.087 6060 I HN 0.042 nan 8.210 nan 0.000 0.424 6061 V N 0.184 120.102 119.914 0.008 0.000 2.453 6061 V HA -0.157 3.963 4.120 0.000 0.000 0.247 6061 V C 2.388 178.487 176.094 0.007 0.000 1.048 6061 V CA 1.360 63.664 62.300 0.007 0.000 1.049 6061 V CB -0.582 31.245 31.823 0.006 0.000 0.672 6061 V HN 0.359 nan 8.190 nan 0.000 0.457 6062 E N 0.527 120.732 120.200 0.008 0.000 2.106 6062 E HA -0.139 4.211 4.350 0.000 0.000 0.192 6062 E C 2.370 178.976 176.600 0.010 0.000 0.984 6062 E CA 1.374 57.779 56.400 0.009 0.000 0.806 6062 E CB -0.409 29.297 29.700 0.010 0.000 0.750 6062 E HN 0.559 nan 8.360 nan 0.000 0.458 6063 A N 1.089 123.915 122.820 0.009 0.000 1.902 6063 A HA -0.146 4.175 4.320 0.000 0.000 0.217 6063 A C 2.614 180.202 177.584 0.006 0.000 1.181 6063 A CA 1.509 53.551 52.037 0.008 0.000 0.623 6063 A CB -0.661 18.343 19.000 0.007 0.000 0.818 6063 A HN 0.131 nan 8.150 nan 0.000 0.443 6064 V N -0.335 119.583 119.914 0.006 0.000 2.307 6064 V HA -0.193 3.927 4.120 0.000 0.000 0.245 6064 V C 2.759 178.857 176.094 0.007 0.000 1.045 6064 V CA 2.284 64.588 62.300 0.006 0.000 1.024 6064 V CB -0.843 30.983 31.823 0.006 0.000 0.651 6064 V HN 0.545 nan 8.190 nan 0.000 0.449 6065 S N 0.182 115.887 115.700 0.008 0.000 2.399 6065 S HA -0.165 4.305 4.470 0.000 0.000 0.231 6065 S C 2.167 176.774 174.600 0.012 0.000 1.022 6065 S CA 1.354 59.559 58.200 0.009 0.000 0.983 6065 S CB -0.441 62.765 63.200 0.009 0.000 0.803 6065 S HN 0.646 nan 8.310 nan 0.000 0.480 6066 A N 1.172 124.000 122.820 0.012 0.000 1.873 6066 A HA -0.044 4.276 4.320 0.000 0.000 0.215 6066 A C 2.377 179.971 177.584 0.017 0.000 1.186 6066 A CA 1.760 53.806 52.037 0.016 0.000 0.616 6066 A CB -0.734 18.275 19.000 0.014 0.000 0.823 6066 A HN 0.561 nan 8.150 nan 0.000 0.442 6067 V N -3.414 116.507 119.914 0.011 0.000 3.174 6067 V HA 0.051 4.171 4.120 0.000 0.000 0.254 6067 V C 2.048 178.147 176.094 0.008 0.000 1.120 6067 V CA 1.217 63.523 62.300 0.009 0.000 1.114 6067 V CB -0.398 31.427 31.823 0.004 0.000 0.756 6067 V HN 0.192 nan 8.190 nan 0.000 0.467 6068 V N 0.734 120.652 119.914 0.007 0.000 2.626 6068 V HA -0.124 3.996 4.120 0.000 0.000 0.252 6068 V C 1.637 177.734 176.094 0.005 0.000 1.067 6068 V CA 2.547 64.850 62.300 0.005 0.000 1.081 6068 V CB -0.521 31.305 31.823 0.005 0.000 0.686 6068 V HN 0.847 nan 8.190 nan 0.000 0.468 6069 D N -0.729 119.676 120.400 0.008 0.000 4.438 6069 D HA -0.222 4.418 4.640 0.000 0.000 0.158 6069 D C 0.614 176.915 176.300 0.003 0.000 0.686 6069 D CA 1.959 55.962 54.000 0.006 0.000 1.183 6069 D CB -1.282 39.518 40.800 0.001 0.000 0.623 6069 D HN 0.586 nan 8.370 nan 0.000 0.521 6070 D N 1.133 121.532 120.400 -0.001 0.000 2.398 6070 D HA 0.317 4.957 4.640 0.000 0.000 0.247 6070 D C -0.311 175.989 176.300 -0.000 0.000 1.227 6070 D CA 0.211 54.209 54.000 -0.002 0.000 0.980 6070 D CB 0.492 41.289 40.800 -0.005 0.000 1.106 6070 D HN 0.119 nan 8.370 nan 0.000 0.493 6071 E N -0.410 119.790 120.200 -0.000 0.000 2.261 6071 E HA 0.618 4.968 4.350 0.000 0.000 0.239 6071 E C -0.237 176.363 176.600 0.000 0.000 0.991 6071 E CA -0.485 55.915 56.400 0.001 0.000 0.847 6071 E CB 0.971 30.672 29.700 0.001 0.000 1.223 6071 E HN 0.510 nan 8.360 nan 0.000 0.446 6072 G N 1.161 109.961 108.800 0.000 0.000 2.340 6072 G HA2 0.359 4.319 3.960 0.000 0.000 0.300 6072 G HA3 0.359 4.319 3.960 0.000 0.000 0.300 6072 G C -1.719 173.181 174.900 0.001 0.000 1.488 6072 G CA -0.906 44.194 45.100 0.001 0.000 0.878 6072 G HN 0.074 nan 8.290 nan 0.000 0.618 6073 K N 0.624 121.024 120.400 0.001 0.000 2.553 6073 K HA 0.572 4.892 4.320 0.000 0.000 0.250 6073 K C -1.326 175.274 176.600 0.001 0.000 0.953 6073 K CA -0.522 55.766 56.287 0.001 0.000 0.800 6073 K CB 2.150 34.650 32.500 -0.000 0.000 1.243 6073 K HN 0.527 nan 8.250 nan 0.000 0.435 6074 V N 3.288 123.203 119.914 0.002 0.000 2.398 6074 V HA 0.304 4.424 4.120 0.000 0.000 0.286 6074 V C -0.417 175.677 176.094 0.001 0.000 1.026 6074 V CA -0.712 61.589 62.300 0.001 0.000 0.868 6074 V CB 1.551 33.375 31.823 0.003 0.000 0.982 6074 V HN 0.652 nan 8.190 nan 0.000 0.443 6075 D N 3.474 123.874 120.400 -0.001 0.000 2.471 6075 D HA 0.317 4.957 4.640 0.000 0.000 0.245 6075 D C 0.738 177.036 176.300 -0.003 0.000 1.116 6075 D CA -0.583 53.416 54.000 -0.002 0.000 0.853 6075 D CB 1.789 42.587 40.800 -0.004 0.000 1.123 6075 D HN 0.418 nan 8.370 nan 0.000 0.540 6076 K N 1.989 122.387 120.400 -0.003 0.000 2.442 6076 K HA -0.139 4.181 4.320 0.000 0.000 0.198 6076 K C 0.915 177.510 176.600 -0.008 0.000 1.044 6076 K CA 0.757 57.041 56.287 -0.005 0.000 0.948 6076 K CB 0.262 32.760 32.500 -0.003 0.000 0.762 6076 K HN 0.362 nan 8.250 nan 0.000 0.472 6077 D N 0.330 120.724 120.400 -0.009 0.000 2.219 6077 D HA -0.113 4.527 4.640 0.000 0.000 0.205 6077 D C 1.075 177.365 176.300 -0.017 0.000 0.970 6077 D CA 0.707 54.699 54.000 -0.014 0.000 0.851 6077 D CB 0.242 41.034 40.800 -0.013 0.000 0.943 6077 D HN -0.027 nan 8.370 nan 0.000 0.488 6078 L N 0.524 121.738 121.223 -0.014 0.000 2.612 6078 L HA 0.246 4.586 4.340 0.000 0.000 0.230 6078 L C 0.056 176.916 176.870 -0.016 0.000 1.140 6078 L CA 0.470 55.300 54.840 -0.016 0.000 0.896 6078 L CB -0.524 41.528 42.059 -0.010 0.000 1.065 6078 L HN 0.160 nan 8.230 nan 0.000 0.447 6079 I N 0.319 120.880 120.570 -0.015 0.000 2.437 6079 I HA 0.197 4.367 4.170 0.000 0.000 0.279 6079 I C 0.320 176.425 176.117 -0.019 0.000 1.028 6079 I CA -0.351 60.940 61.300 -0.014 0.000 1.142 6079 I CB 1.699 39.695 38.000 -0.007 0.000 1.266 6079 I HN -0.038 nan 8.210 nan 0.000 0.461 6080 K N 6.468 126.851 120.400 -0.027 0.000 2.174 6080 K HA 0.478 4.798 4.320 0.000 0.000 0.275 6080 K C -0.709 175.873 176.600 -0.030 0.000 1.015 6080 K CA -0.543 55.723 56.287 -0.035 0.000 0.933 6080 K CB 1.062 33.530 32.500 -0.053 0.000 1.025 6080 K HN 0.438 nan 8.250 nan 0.000 0.463 6081 I N 4.691 125.244 120.570 -0.028 0.000 2.337 6081 I HA 0.238 4.408 4.170 0.000 0.000 0.285 6081 I C -0.154 175.945 176.117 -0.030 0.000 1.041 6081 I CA -0.406 60.880 61.300 -0.022 0.000 1.199 6081 I CB 0.958 38.948 38.000 -0.016 0.000 1.370 6081 I HN 0.610 nan 8.210 nan 0.000 0.470 6082 E N 6.320 126.501 120.200 -0.031 0.000 2.202 6082 E HA 0.517 4.867 4.350 0.000 0.000 0.272 6082 E C -0.363 176.226 176.600 -0.019 0.000 0.951 6082 E CA -0.643 55.734 56.400 -0.037 0.000 0.813 6082 E CB 2.954 32.617 29.700 -0.062 0.000 1.151 6082 E HN 0.507 nan 8.360 nan 0.000 0.398 6083 K N 0.583 120.972 120.400 -0.018 0.000 2.468 6083 K HA 0.674 4.994 4.320 0.000 0.000 0.252 6083 K C -0.959 175.638 176.600 -0.005 0.000 0.932 6083 K CA -1.050 55.232 56.287 -0.008 0.000 0.794 6083 K CB 2.146 34.638 32.500 -0.014 0.000 1.241 6083 K HN 0.131 nan 8.250 nan 0.000 0.428 6084 K N 1.639 122.043 120.400 0.008 0.000 2.619 6084 K HA 0.187 4.507 4.320 0.000 0.000 0.251 6084 K C -1.086 175.526 176.600 0.020 0.000 0.987 6084 K CA -0.322 55.973 56.287 0.014 0.000 0.844 6084 K CB 1.812 34.328 32.500 0.027 0.000 1.237 6084 K HN 0.835 nan 8.250 nan 0.000 0.447 6085 S N 1.863 117.573 115.700 0.016 0.000 2.576 6085 S HA 0.694 5.164 4.470 0.000 0.000 0.272 6085 S C 0.496 175.111 174.600 0.025 0.000 1.352 6085 S CA 0.326 58.539 58.200 0.022 0.000 1.021 6085 S CB 0.698 63.912 63.200 0.024 0.000 0.887 6085 S HN 1.338 nan 8.310 nan 0.000 0.542 6086 G N -0.108 108.708 108.800 0.026 0.000 2.453 6086 G HA2 0.505 4.465 3.960 0.000 0.000 0.665 6086 G HA3 0.505 4.465 3.960 0.000 0.000 0.665 6086 G C -0.132 174.782 174.900 0.023 0.000 1.411 6086 G CA -0.131 44.983 45.100 0.024 0.000 0.889 6086 G HN 2.322 nan 8.290 nan 0.000 0.651 6087 A N -0.408 122.424 122.820 0.020 0.000 6.088 6087 A HA 0.406 4.726 4.320 0.000 0.000 0.261 6087 A C 1.368 178.963 177.584 0.018 0.000 2.138 6087 A CA 2.037 54.084 52.037 0.017 0.000 0.708 6087 A CB -1.814 17.197 19.000 0.018 0.000 1.068 6087 A HN 2.924 nan 8.150 nan 0.000 0.364 6088 S N -1.508 114.202 115.700 0.017 0.000 2.766 6088 S HA 0.781 5.251 4.470 0.000 0.000 0.307 6088 S C 1.071 175.682 174.600 0.019 0.000 1.121 6088 S CA -0.086 58.124 58.200 0.017 0.000 0.980 6088 S CB 1.090 64.298 63.200 0.014 0.000 1.159 6088 S HN 1.124 nan 8.310 nan 0.000 0.546 6089 I N 0.580 121.161 120.570 0.019 0.000 2.493 6089 I HA -0.093 4.077 4.170 0.000 0.000 0.254 6089 I C 2.166 178.294 176.117 0.017 0.000 1.160 6089 I CA 1.434 62.745 61.300 0.019 0.000 1.445 6089 I CB -0.493 37.519 38.000 0.020 0.000 1.086 6089 I HN 0.780 nan 8.210 nan 0.000 0.433 6090 D N 1.374 121.782 120.400 0.014 0.000 2.182 6090 D HA -0.223 4.417 4.640 0.000 0.000 0.201 6090 D C 1.387 177.694 176.300 0.013 0.000 0.986 6090 D CA 1.381 55.388 54.000 0.012 0.000 0.847 6090 D CB -0.024 40.781 40.800 0.009 0.000 0.942 6090 D HN 0.340 nan 8.370 nan 0.000 0.467 6091 D N -0.883 119.526 120.400 0.015 0.000 2.348 6091 D HA -0.019 4.621 4.640 0.000 0.000 0.216 6091 D C 0.247 176.562 176.300 0.024 0.000 0.970 6091 D CA 0.508 54.519 54.000 0.017 0.000 0.889 6091 D CB -0.068 40.742 40.800 0.017 0.000 0.912 6091 D HN 0.094 nan 8.370 nan 0.000 0.524 6092 T N 1.614 116.183 114.554 0.025 0.000 2.933 6092 T HA 0.099 4.449 4.350 0.000 0.000 0.306 6092 T C 0.271 174.989 174.700 0.031 0.000 1.045 6092 T CA 0.281 62.398 62.100 0.030 0.000 1.143 6092 T CB 0.339 69.222 68.868 0.024 0.000 1.003 6092 T HN 0.312 nan 8.240 nan 0.000 0.540 6093 E N 1.754 121.979 120.200 0.042 0.000 2.408 6093 E HA 0.602 4.952 4.350 0.000 0.000 0.275 6093 E C -1.562 175.069 176.600 0.053 0.000 0.935 6093 E CA -1.175 55.251 56.400 0.044 0.000 0.775 6093 E CB 1.256 30.984 29.700 0.047 0.000 1.277 6093 E HN 0.338 nan 8.360 nan 0.000 0.455 6094 L N 1.966 123.216 121.223 0.044 0.000 2.289 6094 L HA 0.477 4.817 4.340 0.000 0.000 0.285 6094 L C -1.428 175.478 176.870 0.061 0.000 1.049 6094 L CA -0.489 54.377 54.840 0.044 0.000 0.804 6094 L CB 1.061 43.137 42.059 0.028 0.000 1.195 6094 L HN 0.601 nan 8.230 nan 0.000 0.428 6095 I N 5.080 125.694 120.570 0.073 0.000 2.354 6095 I HA 0.290 4.460 4.170 0.000 0.000 0.286 6095 I C 0.206 176.359 176.117 0.060 0.000 1.007 6095 I CA -0.294 61.066 61.300 0.101 0.000 1.167 6095 I CB 1.186 39.291 38.000 0.176 0.000 1.320 6095 I HN 0.522 nan 8.210 nan 0.000 0.458 6096 K N 6.046 126.475 120.400 0.050 0.000 2.054 6096 K HA 0.474 4.794 4.320 0.000 0.000 0.242 6096 K C 0.323 176.941 176.600 0.030 0.000 1.157 6096 K CA 0.258 56.563 56.287 0.030 0.000 1.079 6096 K CB -0.405 32.106 32.500 0.020 0.000 1.331 6096 K HN 0.947 nan 8.250 nan 0.000 0.317 6097 G N 0.568 109.381 108.800 0.022 0.000 2.491 6097 G HA2 0.061 4.021 3.960 0.000 0.000 0.183 6097 G HA3 0.061 4.021 3.960 0.000 0.000 0.183 6097 G C -1.647 173.243 174.900 -0.017 0.000 1.221 6097 G CA -0.647 44.459 45.100 0.010 0.000 0.996 6097 G HN 0.171 nan 8.290 nan 0.000 0.474 6098 V N 0.803 120.693 119.914 -0.041 0.000 2.487 6098 V HA 0.704 4.824 4.120 0.000 0.000 0.298 6098 V C -0.831 175.178 176.094 -0.142 0.000 1.028 6098 V CA -0.595 61.644 62.300 -0.102 0.000 0.860 6098 V CB 1.452 33.184 31.823 -0.153 0.000 0.991 6098 V HN 0.945 nan 8.190 nan 0.000 0.427 6099 L N 7.514 128.616 121.223 -0.201 0.000 2.305 6099 L HA 0.838 5.178 4.340 0.000 0.000 0.284 6099 L C -0.367 176.336 176.870 -0.279 0.000 1.013 6099 L CA -0.173 54.448 54.840 -0.364 0.000 0.819 6099 L CB 1.687 43.433 42.059 -0.521 0.000 1.227 6099 L HN 0.581 nan 8.230 nan 0.000 0.417 6100 V N 1.564 121.327 119.914 -0.252 0.000 2.715 6100 V HA 0.632 4.752 4.120 0.000 0.000 0.310 6100 V C -0.353 175.669 176.094 -0.120 0.000 1.054 6100 V CA -0.517 61.691 62.300 -0.153 0.000 0.928 6100 V CB 1.789 33.548 31.823 -0.106 0.000 1.007 6100 V HN 0.823 nan 8.190 nan 0.000 0.437 6101 D N 1.663 122.017 120.400 -0.076 0.000 3.134 6101 D HA 0.253 4.893 4.640 0.000 0.000 0.248 6101 D C 0.050 176.348 176.300 -0.004 0.000 1.273 6101 D CA -0.185 53.788 54.000 -0.045 0.000 0.904 6101 D CB -0.002 40.774 40.800 -0.040 0.000 1.089 6101 D HN 0.504 nan 8.370 nan 0.000 0.478 6102 K N 0.715 121.128 120.400 0.021 0.000 2.306 6102 K HA 0.413 4.733 4.320 0.000 0.000 0.236 6102 K C 0.525 177.157 176.600 0.053 0.000 1.013 6102 K CA -0.650 55.669 56.287 0.054 0.000 0.857 6102 K CB 2.337 34.906 32.500 0.114 0.000 1.214 6102 K HN 0.359 nan 8.250 nan 0.000 0.449 6103 E N 0.928 121.153 120.200 0.042 0.000 2.359 6103 E HA 0.361 4.711 4.350 0.000 0.000 0.266 6103 E C -0.686 175.920 176.600 0.010 0.000 0.920 6103 E CA -0.934 55.484 56.400 0.030 0.000 0.788 6103 E CB 1.282 30.996 29.700 0.023 0.000 1.279 6103 E HN 0.214 nan 8.360 nan 0.000 0.438 6104 R N 1.370 121.872 120.500 0.002 0.000 2.296 6104 R HA 0.097 4.437 4.340 0.000 0.000 0.323 6104 R C 1.379 177.672 176.300 -0.013 0.000 1.067 6104 R CA 0.230 56.319 56.100 -0.020 0.000 0.946 6104 R CB 0.415 30.705 30.300 -0.018 0.000 0.991 6104 R HN 0.568 nan 8.270 nan 0.000 0.448 6105 V N 0.010 119.912 119.914 -0.020 0.000 2.720 6105 V HA -0.090 4.030 4.120 0.000 0.000 0.256 6105 V C 0.922 177.014 176.094 -0.004 0.000 1.082 6105 V CA 1.150 63.444 62.300 -0.009 0.000 1.101 6105 V CB -0.255 31.562 31.823 -0.009 0.000 0.693 6105 V HN 0.521 nan 8.190 nan 0.000 0.479 6106 S N -1.079 114.618 115.700 -0.005 0.000 2.526 6106 S HA 0.777 5.247 4.470 0.000 0.000 0.293 6106 S C 0.897 175.495 174.600 -0.004 0.000 1.092 6106 S CA -0.135 58.063 58.200 -0.002 0.000 0.980 6106 S CB 1.875 65.083 63.200 0.013 0.000 1.048 6106 S HN 0.708 nan 8.310 nan 0.000 0.483 6107 A N 2.948 125.763 122.820 -0.009 0.000 2.019 6107 A HA -0.082 4.238 4.320 0.000 0.000 0.219 6107 A C 1.907 179.490 177.584 -0.001 0.000 1.164 6107 A CA 1.720 53.753 52.037 -0.006 0.000 0.644 6107 A CB -0.651 18.341 19.000 -0.012 0.000 0.805 6107 A HN 0.901 nan 8.150 nan 0.000 0.449 6108 Q N -1.088 118.716 119.800 0.005 0.000 2.389 6108 Q HA 0.130 4.470 4.340 0.000 0.000 0.204 6108 Q C 0.490 176.502 176.000 0.020 0.000 0.944 6108 Q CA -0.097 55.718 55.803 0.020 0.000 0.908 6108 Q CB -0.098 28.667 28.738 0.046 0.000 1.002 6108 Q HN 0.675 nan 8.270 nan 0.000 0.493 6109 M N 2.286 121.892 119.600 0.011 0.000 2.243 6109 M HA 0.186 4.666 4.480 0.000 0.000 0.341 6109 M C -2.026 174.271 176.300 -0.005 0.000 1.130 6109 M CA -1.788 53.511 55.300 -0.001 0.000 1.162 6109 M CB 0.406 32.997 32.600 -0.014 0.000 1.497 6109 M HN -0.044 nan 8.290 nan 0.000 0.456 6110 P HA 0.007 nan 4.420 nan 0.000 0.266 6110 P C -0.515 176.780 177.300 -0.009 0.000 1.193 6110 P CA 0.313 63.408 63.100 -0.010 0.000 0.770 6110 P CB 0.442 32.133 31.700 -0.015 0.000 0.836 6111 K N 0.945 121.344 120.400 -0.001 0.000 2.367 6111 K HA 0.108 4.428 4.320 0.000 0.000 0.194 6111 K C 0.510 177.117 176.600 0.012 0.000 1.027 6111 K CA 0.349 56.640 56.287 0.006 0.000 1.075 6111 K CB 0.349 32.854 32.500 0.009 0.000 0.845 6111 K HN 0.330 nan 8.250 nan 0.000 0.529 6112 K N 0.973 121.376 120.400 0.006 0.000 2.550 6112 K HA 0.257 4.577 4.320 0.000 0.000 0.252 6112 K C -1.835 174.767 176.600 0.004 0.000 0.943 6112 K CA -0.495 55.798 56.287 0.010 0.000 0.806 6112 K CB 2.086 34.589 32.500 0.005 0.000 1.289 6112 K HN -0.239 nan 8.250 nan 0.000 0.435 6113 V N 2.886 122.806 119.914 0.010 0.000 2.531 6113 V HA 0.448 4.568 4.120 0.000 0.000 0.301 6113 V C -0.278 175.824 176.094 0.013 0.000 1.034 6113 V CA -0.716 61.587 62.300 0.006 0.000 0.865 6113 V CB 1.755 33.579 31.823 0.001 0.000 0.995 6113 V HN 0.936 nan 8.190 nan 0.000 0.424 6114 T N -0.087 114.471 114.554 0.007 0.000 2.859 6114 T HA 0.556 4.906 4.350 0.000 0.000 0.281 6114 T C -0.003 174.701 174.700 0.007 0.000 1.005 6114 T CA -0.334 61.770 62.100 0.007 0.000 1.025 6114 T CB 1.301 70.170 68.868 0.002 0.000 0.977 6114 T HN 0.778 nan 8.240 nan 0.000 0.458 6115 D N 0.666 121.071 120.400 0.008 0.000 2.697 6115 D HA -0.147 4.493 4.640 0.000 0.000 0.238 6115 D C 0.333 176.640 176.300 0.012 0.000 1.152 6115 D CA 0.867 54.872 54.000 0.008 0.000 0.666 6115 D CB -1.224 39.578 40.800 0.003 0.000 1.037 6115 D HN 1.118 nan 8.370 nan 0.000 0.423 6116 A N 1.485 124.317 122.820 0.020 0.000 2.462 6116 A HA 0.408 4.728 4.320 0.000 0.000 0.243 6116 A C 0.491 178.093 177.584 0.029 0.000 1.076 6116 A CA 0.127 52.179 52.037 0.026 0.000 0.773 6116 A CB 0.605 19.632 19.000 0.045 0.000 1.010 6116 A HN 0.160 nan 8.150 nan 0.000 0.493 6117 K N 2.633 123.046 120.400 0.023 0.000 2.389 6117 K HA 0.419 4.739 4.320 0.000 0.000 0.261 6117 K C -1.319 175.303 176.600 0.035 0.000 1.014 6117 K CA -0.163 56.138 56.287 0.024 0.000 0.920 6117 K CB 1.068 33.574 32.500 0.010 0.000 1.149 6117 K HN 0.530 nan 8.250 nan 0.000 0.444 6118 I N 2.073 122.681 120.570 0.063 0.000 2.331 6118 I HA 0.281 4.451 4.170 0.000 0.000 0.292 6118 I C 0.280 176.452 176.117 0.093 0.000 0.998 6118 I CA -0.317 61.048 61.300 0.109 0.000 1.267 6118 I CB 1.612 39.718 38.000 0.176 0.000 1.386 6118 I HN 0.502 nan 8.210 nan 0.000 0.476 6119 A N 7.371 130.246 122.820 0.092 0.000 2.330 6119 A HA 0.857 5.177 4.320 0.000 0.000 0.327 6119 A C -0.764 176.892 177.584 0.120 0.000 1.155 6119 A CA -0.561 51.521 52.037 0.075 0.000 0.803 6119 A CB 0.732 19.752 19.000 0.033 0.000 1.208 6119 A HN 0.674 nan 8.150 nan 0.000 0.477 6120 L N 3.183 124.463 121.223 0.094 0.000 2.324 6120 L HA 0.371 4.711 4.340 0.000 0.000 0.274 6120 L C -1.256 175.652 176.870 0.064 0.000 1.012 6120 L CA -0.551 54.348 54.840 0.098 0.000 0.859 6120 L CB 1.036 43.134 42.059 0.065 0.000 1.224 6120 L HN 0.499 nan 8.230 nan 0.000 0.429 6121 L N 2.768 124.032 121.223 0.068 0.000 2.309 6121 L HA 0.357 4.697 4.340 0.000 0.000 0.282 6121 L C 0.739 177.635 176.870 0.043 0.000 1.036 6121 L CA 0.210 55.077 54.840 0.045 0.000 0.806 6121 L CB 1.493 43.574 42.059 0.036 0.000 1.220 6121 L HN 0.421 nan 8.230 nan 0.000 0.429 6122 N N 0.456 119.174 118.700 0.030 0.000 2.407 6122 N HA 0.008 4.748 4.740 0.000 0.000 0.182 6122 N C 0.126 175.649 175.510 0.022 0.000 1.079 6122 N CA 0.012 53.077 53.050 0.025 0.000 0.882 6122 N CB 0.377 38.875 38.487 0.019 0.000 1.106 6122 N HN 0.587 nan 8.380 nan 0.000 0.461 6123 C N 1.912 121.224 119.300 0.020 0.000 2.585 6123 C HA 0.746 5.206 4.460 0.000 0.000 0.406 6123 C C 0.843 175.844 174.990 0.019 0.000 1.312 6123 C CA -0.958 58.070 59.018 0.018 0.000 1.924 6123 C CB -1.440 26.310 27.740 0.016 0.000 2.578 6123 C HN 0.507 nan 8.230 nan 0.000 0.580 6124 A N 6.292 129.123 122.820 0.018 0.000 2.540 6124 A HA 0.306 4.626 4.320 0.000 0.000 0.239 6124 A C 0.327 177.923 177.584 0.019 0.000 1.061 6124 A CA 0.119 52.167 52.037 0.019 0.000 0.758 6124 A CB -0.046 18.964 19.000 0.017 0.000 0.991 6124 A HN 0.898 nan 8.150 nan 0.000 0.502 6125 I N 2.586 123.169 120.570 0.020 0.000 2.204 6125 I HA 0.135 4.305 4.170 0.000 0.000 0.291 6125 I C -0.058 176.074 176.117 0.025 0.000 1.153 6125 I CA 0.615 61.928 61.300 0.022 0.000 1.546 6125 I CB -0.558 37.455 38.000 0.021 0.000 1.490 6125 I HN 0.627 nan 8.210 nan 0.000 0.697 6126 E N 4.659 124.872 120.200 0.022 0.000 2.302 6126 E HA 0.397 4.747 4.350 0.000 0.000 0.263 6126 E C -0.988 175.623 176.600 0.019 0.000 0.897 6126 E CA -0.599 55.814 56.400 0.021 0.000 0.809 6126 E CB 2.043 31.753 29.700 0.018 0.000 1.270 6126 E HN 0.235 nan 8.360 nan 0.000 0.410 6127 E N 1.904 122.116 120.200 0.020 0.000 2.275 6127 E HA 0.234 4.584 4.350 0.000 0.000 0.270 6127 E C -0.739 175.869 176.600 0.014 0.000 0.882 6127 E CA -0.611 55.799 56.400 0.017 0.000 0.758 6127 E CB 2.269 31.981 29.700 0.019 0.000 1.195 6127 E HN 0.287 nan 8.360 nan 0.000 0.419 6128 T N 1.493 116.053 114.554 0.010 0.000 2.946 6128 T HA 0.358 4.708 4.350 0.000 0.000 0.311 6128 T C 0.180 174.883 174.700 0.005 0.000 1.063 6128 T CA 0.841 62.945 62.100 0.007 0.000 1.139 6128 T CB 0.286 69.157 68.868 0.006 0.000 0.994 6128 T HN 0.732 nan 8.240 nan 0.000 0.547 6129 A N 2.900 125.721 122.820 0.002 0.000 2.435 6129 A HA -0.084 4.236 4.320 0.000 0.000 0.686 6129 A C 1.365 178.945 177.584 -0.006 0.000 0.138 6129 A CA 0.081 52.115 52.037 -0.003 0.000 0.024 6129 A CB -1.532 17.466 19.000 -0.004 0.000 3.974 6129 A HN 0.800 nan 8.150 nan 0.000 0.548 6130 S N 0.523 116.213 115.700 -0.018 0.000 2.406 6130 S HA -0.078 4.392 4.470 0.000 0.000 0.228 6130 S C 1.689 176.262 174.600 -0.045 0.000 1.020 6130 S CA 1.334 59.513 58.200 -0.035 0.000 0.965 6130 S CB -0.173 62.995 63.200 -0.054 0.000 0.798 6130 S HN 0.736 nan 8.310 nan 0.000 0.488 6131 E N 1.138 121.316 120.200 -0.036 0.000 2.072 6131 E HA -0.011 4.339 4.350 0.000 0.000 0.191 6131 E C 1.962 178.558 176.600 -0.006 0.000 0.985 6131 E CA 0.859 57.241 56.400 -0.030 0.000 0.801 6131 E CB -0.233 29.453 29.700 -0.023 0.000 0.750 6131 E HN 0.409 nan 8.360 nan 0.000 0.452 6132 M N 0.012 119.612 119.600 0.000 0.000 2.200 6132 M HA -0.065 4.415 4.480 0.000 0.000 0.265 6132 M C 2.315 178.629 176.300 0.024 0.000 1.066 6132 M CA 0.730 56.037 55.300 0.012 0.000 1.127 6132 M CB -0.809 31.797 32.600 0.009 0.000 1.379 6132 M HN 0.090 nan 8.290 nan 0.000 0.420 6133 L N 0.669 121.906 121.223 0.024 0.000 2.072 6133 L HA -0.069 4.271 4.340 0.000 0.000 0.205 6133 L C 2.119 179.037 176.870 0.079 0.000 1.079 6133 L CA 1.841 56.706 54.840 0.041 0.000 0.752 6133 L CB -0.570 41.510 42.059 0.034 0.000 0.906 6133 L HN 0.162 nan 8.230 nan 0.000 0.436 6134 K N -0.673 119.773 120.400 0.077 0.000 2.283 6134 K HA -0.170 4.150 4.320 0.000 0.000 0.202 6134 K C 1.690 178.418 176.600 0.212 0.000 1.048 6134 K CA 1.084 57.481 56.287 0.185 0.000 0.948 6134 K CB -0.156 32.304 32.500 -0.067 0.000 0.742 6134 K HN 0.315 nan 8.250 nan 0.000 0.458 6135 D N 0.838 121.300 120.400 0.103 0.000 2.117 6135 D HA -0.131 4.509 4.640 0.000 0.000 0.197 6135 D C 1.796 178.134 176.300 0.064 0.000 0.987 6135 D CA 1.100 55.147 54.000 0.077 0.000 0.829 6135 D CB 0.174 41.000 40.800 0.043 0.000 0.961 6135 D HN -0.012 nan 8.370 nan 0.000 0.460 6136 M N -0.044 119.591 119.600 0.058 0.000 2.117 6136 M HA -0.095 4.385 4.480 0.000 0.000 0.262 6136 M C 2.331 178.646 176.300 0.024 0.000 1.065 6136 M CA 0.639 55.961 55.300 0.037 0.000 1.114 6136 M CB -0.875 31.746 32.600 0.035 0.000 1.361 6136 M HN -0.017 nan 8.290 nan 0.000 0.408 6137 V N 0.478 120.419 119.914 0.045 0.000 2.358 6137 V HA -0.192 3.928 4.120 0.000 0.000 0.246 6137 V C 2.717 178.751 176.094 -0.100 0.000 1.047 6137 V CA 1.722 64.006 62.300 -0.027 0.000 1.035 6137 V CB -1.329 30.498 31.823 0.006 0.000 0.658 6137 V HN 0.473 nan 8.190 nan 0.000 0.452 6138 A N -0.463 122.349 122.820 -0.015 0.000 1.930 6138 A HA -0.223 4.097 4.320 0.000 0.000 0.217 6138 A C 2.177 179.746 177.584 -0.025 0.000 1.175 6138 A CA 1.754 53.779 52.037 -0.021 0.000 0.627 6138 A CB -0.419 18.632 19.000 0.085 0.000 0.815 6138 A HN 0.614 nan 8.150 nan 0.000 0.443 6139 E N -0.388 119.809 120.200 -0.006 0.000 2.106 6139 E HA -0.115 4.235 4.350 0.000 0.000 0.192 6139 E C 1.838 178.426 176.600 -0.019 0.000 0.984 6139 E CA 0.990 57.386 56.400 -0.006 0.000 0.806 6139 E CB -0.250 29.453 29.700 0.005 0.000 0.750 6139 E HN 0.709 nan 8.360 nan 0.000 0.458 6140 I N 1.117 121.668 120.570 -0.032 0.000 2.179 6140 I HA -0.282 3.888 4.170 0.000 0.000 0.242 6140 I C 2.485 178.572 176.117 -0.050 0.000 1.088 6140 I CA 1.059 62.336 61.300 -0.038 0.000 1.357 6140 I CB -0.151 37.819 38.000 -0.050 0.000 1.051 6140 I HN -0.021 nan 8.210 nan 0.000 0.409 6141 K N 1.629 121.983 120.400 -0.076 0.000 2.057 6141 K HA -0.124 4.196 4.320 0.000 0.000 0.207 6141 K C 2.038 178.609 176.600 -0.047 0.000 1.049 6141 K CA 1.727 57.967 56.287 -0.079 0.000 0.931 6141 K CB -0.406 32.022 32.500 -0.121 0.000 0.714 6141 K HN 0.277 nan 8.250 nan 0.000 0.440 6142 A N -0.101 122.698 122.820 -0.036 0.000 1.933 6142 A HA -0.121 4.199 4.320 0.000 0.000 0.218 6142 A C 2.177 179.753 177.584 -0.014 0.000 1.175 6142 A CA 2.088 54.113 52.037 -0.019 0.000 0.628 6142 A CB -0.755 18.238 19.000 -0.010 0.000 0.814 6142 A HN 0.365 nan 8.150 nan 0.000 0.444 6143 S N -1.740 113.951 115.700 -0.014 0.000 2.474 6143 S HA 0.247 4.717 4.470 0.000 0.000 0.235 6143 S C 1.509 176.104 174.600 -0.008 0.000 0.997 6143 S CA 1.159 59.354 58.200 -0.008 0.000 0.949 6143 S CB -0.141 63.056 63.200 -0.005 0.000 0.766 6143 S HN 1.679 nan 8.310 nan 0.000 0.517 6144 G N 0.687 109.478 108.800 -0.015 0.000 2.159 6144 G HA2 -0.128 3.832 3.960 0.000 0.000 0.227 6144 G HA3 -0.128 3.832 3.960 0.000 0.000 0.227 6144 G C 0.108 174.998 174.900 -0.017 0.000 0.986 6144 G CA -0.176 44.915 45.100 -0.015 0.000 0.651 6144 G HN 0.827 nan 8.290 nan 0.000 0.523 6145 A N 0.038 122.845 122.820 -0.021 0.000 2.477 6145 A HA 0.637 4.957 4.320 0.000 0.000 0.246 6145 A C 1.106 178.668 177.584 -0.037 0.000 1.078 6145 A CA 0.721 52.745 52.037 -0.021 0.000 0.770 6145 A CB 0.217 19.205 19.000 -0.020 0.000 1.011 6145 A HN 0.334 nan 8.150 nan 0.000 0.494 6146 N N 0.609 119.289 118.700 -0.032 0.000 2.257 6146 N HA 0.125 4.865 4.740 0.000 0.000 0.200 6146 N C -0.678 174.794 175.510 -0.063 0.000 1.163 6146 N CA 0.448 53.472 53.050 -0.044 0.000 0.891 6146 N CB 1.046 39.515 38.487 -0.029 0.000 1.067 6146 N HN 0.383 nan 8.380 nan 0.000 0.497 6147 V N 2.513 122.390 119.914 -0.062 0.000 2.540 6147 V HA 0.458 4.578 4.120 0.000 0.000 0.302 6147 V C -0.695 175.312 176.094 -0.145 0.000 1.035 6147 V CA -0.733 61.492 62.300 -0.125 0.000 0.873 6147 V CB 2.992 34.780 31.823 -0.058 0.000 0.992 6147 V HN 0.023 nan 8.190 nan 0.000 0.428 6148 L N 5.631 126.682 121.223 -0.287 0.000 2.446 6148 L HA 0.603 4.943 4.340 0.000 0.000 0.268 6148 L C -1.829 174.831 176.870 -0.351 0.000 0.975 6148 L CA -0.103 54.616 54.840 -0.203 0.000 0.848 6148 L CB 1.469 43.455 42.059 -0.123 0.000 1.225 6148 L HN 0.581 nan 8.230 nan 0.000 0.410 6149 F N 4.418 124.366 119.950 -0.004 0.000 2.388 6149 F HA 0.336 4.862 4.527 -0.000 0.000 0.358 6149 F C 0.527 176.324 175.800 -0.004 0.000 1.122 6149 F CA -0.407 57.590 58.000 -0.005 0.000 1.056 6149 F CB 1.348 40.344 39.000 -0.007 0.000 1.155 6149 F HN 0.445 nan 8.300 nan 0.000 0.461 6150 C N 5.263 124.645 119.300 0.137 0.000 2.303 6150 C HA 0.218 4.678 4.460 0.000 0.000 0.326 6150 C C 1.629 176.670 174.990 0.085 0.000 1.285 6150 C CA -0.463 58.605 59.018 0.084 0.000 1.675 6150 C CB 0.644 28.409 27.740 0.042 0.000 2.289 6150 C HN 0.952 nan 8.230 nan 0.000 0.512 6151 Q N 3.202 123.041 119.800 0.066 0.000 2.124 6151 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 6151 Q C 1.089 177.110 176.000 0.035 0.000 0.977 6151 Q CA 1.593 57.423 55.803 0.046 0.000 0.850 6151 Q CB 0.198 28.954 28.738 0.030 0.000 0.901 6151 Q HN 0.704 nan 8.270 nan 0.000 0.429 6152 K N -0.712 119.707 120.400 0.031 0.000 2.842 6152 K HA 0.350 4.670 4.320 0.000 0.000 0.310 6152 K C 0.496 177.111 176.600 0.026 0.000 0.992 6152 K CA 0.060 56.361 56.287 0.024 0.000 1.207 6152 K CB -0.740 31.772 32.500 0.020 0.000 1.478 6152 K HN 0.131 nan 8.250 nan 0.000 0.601 6153 G N 0.261 109.073 108.800 0.021 0.000 2.562 6153 G HA2 0.534 4.494 3.960 0.000 0.000 0.275 6153 G HA3 0.534 4.494 3.960 0.000 0.000 0.275 6153 G C -0.472 174.440 174.900 0.019 0.000 1.196 6153 G CA -0.557 44.554 45.100 0.019 0.000 0.908 6153 G HN 0.313 nan 8.290 nan 0.000 0.524 6154 I N 0.677 121.258 120.570 0.018 0.000 2.478 6154 I HA 0.166 4.336 4.170 0.000 0.000 0.287 6154 I C -0.530 175.600 176.117 0.022 0.000 1.042 6154 I CA -0.766 60.545 61.300 0.019 0.000 1.067 6154 I CB 2.037 40.045 38.000 0.012 0.000 1.233 6154 I HN 0.415 nan 8.210 nan 0.000 0.431 6155 D N 4.932 125.349 120.400 0.027 0.000 2.414 6155 D HA -0.049 4.591 4.640 0.000 0.000 0.242 6155 D C 0.613 176.937 176.300 0.040 0.000 1.129 6155 D CA 0.176 54.194 54.000 0.031 0.000 0.885 6155 D CB 1.341 42.160 40.800 0.033 0.000 1.198 6155 D HN 0.484 nan 8.370 nan 0.000 0.437 6156 D N 2.790 123.212 120.400 0.036 0.000 2.158 6156 D HA -0.185 4.455 4.640 0.000 0.000 0.197 6156 D C 1.771 178.118 176.300 0.079 0.000 0.995 6156 D CA 0.610 54.635 54.000 0.042 0.000 0.846 6156 D CB -0.032 40.782 40.800 0.024 0.000 0.941 6156 D HN 0.454 nan 8.370 nan 0.000 0.456 6157 L N 0.189 121.461 121.223 0.082 0.000 2.056 6157 L HA -0.140 4.200 4.340 0.000 0.000 0.207 6157 L C 2.184 179.136 176.870 0.136 0.000 1.078 6157 L CA 1.418 56.326 54.840 0.112 0.000 0.749 6157 L CB -0.165 41.934 42.059 0.067 0.000 0.901 6157 L HN -0.021 nan 8.230 nan 0.000 0.433 6158 A N -0.640 122.243 122.820 0.105 0.000 1.933 6158 A HA -0.250 4.070 4.320 0.000 0.000 0.218 6158 A C 2.085 179.733 177.584 0.107 0.000 1.175 6158 A CA 1.643 53.746 52.037 0.110 0.000 0.628 6158 A CB -0.485 18.556 19.000 0.069 0.000 0.814 6158 A HN 0.638 nan 8.150 nan 0.000 0.444 6159 Q N -1.416 118.439 119.800 0.093 0.000 2.084 6159 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 6159 Q C 2.050 178.135 176.000 0.142 0.000 0.978 6159 Q CA 1.628 57.478 55.803 0.079 0.000 0.844 6159 Q CB -0.388 28.382 28.738 0.054 0.000 0.898 6159 Q HN 0.944 nan 8.270 nan 0.000 0.426 6160 H N -0.856 118.247 119.070 0.055 0.000 2.293 6160 H HA -0.197 4.359 4.556 0.000 0.000 0.300 6160 H C 1.942 177.350 175.328 0.134 0.000 1.082 6160 H CA 1.176 57.266 56.048 0.070 0.000 1.308 6160 H CB 0.113 29.909 29.762 0.057 0.000 1.375 6160 H HN 0.238 nan 8.280 nan 0.000 0.495 6161 Y N 1.302 121.598 120.300 -0.007 0.000 2.293 6161 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 6161 Y C 2.335 178.213 175.900 -0.036 0.000 1.137 6161 Y CA 0.922 58.966 58.100 -0.094 0.000 1.202 6161 Y CB -0.557 37.854 38.460 -0.082 0.000 0.990 6161 Y HN 0.206 nan 8.280 nan 0.000 0.537 6162 L N -0.576 120.642 121.223 -0.007 0.000 2.042 6162 L HA -0.255 4.085 4.340 0.000 0.000 0.210 6162 L C 2.712 179.543 176.870 -0.066 0.000 1.076 6162 L CA 1.339 56.119 54.840 -0.100 0.000 0.749 6162 L CB -0.880 41.151 42.059 -0.047 0.000 0.893 6162 L HN 0.234 nan 8.230 nan 0.000 0.432 6163 A N -0.162 122.668 122.820 0.017 0.000 1.933 6163 A HA -0.212 4.108 4.320 0.000 0.000 0.218 6163 A C 2.290 179.893 177.584 0.031 0.000 1.175 6163 A CA 1.579 53.638 52.037 0.036 0.000 0.628 6163 A CB -0.316 18.740 19.000 0.094 0.000 0.814 6163 A HN 0.330 nan 8.150 nan 0.000 0.444 6164 K N -0.405 120.024 120.400 0.048 0.000 2.211 6164 K HA -0.067 4.254 4.320 0.000 0.000 0.203 6164 K C 1.134 177.719 176.600 -0.024 0.000 1.050 6164 K CA 1.106 57.421 56.287 0.046 0.000 0.945 6164 K CB 0.026 32.606 32.500 0.133 0.000 0.732 6164 K HN 0.390 nan 8.250 nan 0.000 0.451 6165 E N -0.397 119.730 120.200 -0.122 0.000 2.479 6165 E HA 0.027 4.377 4.350 0.000 0.000 0.193 6165 E C 0.808 177.349 176.600 -0.097 0.000 1.049 6165 E CA 0.378 56.684 56.400 -0.158 0.000 0.870 6165 E CB 0.745 30.262 29.700 -0.305 0.000 0.944 6165 E HN 0.447 nan 8.360 nan 0.000 0.492 6166 G N 2.043 110.803 108.800 -0.066 0.000 2.160 6166 G HA2 -0.288 3.672 3.960 0.000 0.000 0.251 6166 G HA3 -0.288 3.672 3.960 0.000 0.000 0.251 6166 G C 0.235 175.101 174.900 -0.058 0.000 1.008 6166 G CA 0.179 45.251 45.100 -0.046 0.000 0.724 6166 G HN 0.265 nan 8.290 nan 0.000 0.514 6167 I N 0.938 121.462 120.570 -0.078 0.000 2.331 6167 I HA 0.438 4.608 4.170 0.000 0.000 0.292 6167 I C 0.984 177.051 176.117 -0.083 0.000 0.998 6167 I CA -1.155 60.093 61.300 -0.087 0.000 1.267 6167 I CB 1.632 39.568 38.000 -0.108 0.000 1.386 6167 I HN 0.144 nan 8.210 nan 0.000 0.476 6168 V N 3.747 123.603 119.914 -0.096 0.000 2.509 6168 V HA 0.915 5.035 4.120 0.000 0.000 0.284 6168 V C 0.049 176.035 176.094 -0.181 0.000 1.047 6168 V CA -0.260 61.971 62.300 -0.115 0.000 0.952 6168 V CB 1.161 32.919 31.823 -0.108 0.000 0.988 6168 V HN 0.829 nan 8.190 nan 0.000 0.469 6169 A N 3.604 126.323 122.820 -0.169 0.000 2.515 6169 A HA 1.007 5.327 4.320 0.000 0.000 0.298 6169 A C -0.350 177.130 177.584 -0.172 0.000 1.059 6169 A CA -0.298 51.621 52.037 -0.197 0.000 0.698 6169 A CB 1.857 20.790 19.000 -0.113 0.000 1.289 6169 A HN 2.349 nan 8.150 nan 0.000 0.404 6170 A N 1.757 124.460 122.820 -0.194 0.000 2.374 6170 A HA 0.773 5.093 4.320 0.000 0.000 0.305 6170 A C -0.081 177.504 177.584 0.003 0.000 1.053 6170 A CA -0.674 51.320 52.037 -0.071 0.000 0.726 6170 A CB 0.933 19.916 19.000 -0.027 0.000 1.229 6170 A HN 1.237 nan 8.150 nan 0.000 0.431 6171 R N 1.658 122.170 120.500 0.020 0.000 2.691 6171 R HA 0.735 5.075 4.340 0.000 0.000 0.259 6171 R C -0.400 175.927 176.300 0.046 0.000 1.048 6171 R CA -0.788 55.332 56.100 0.033 0.000 1.086 6171 R CB 0.447 30.759 30.300 0.020 0.000 1.166 6171 R HN 0.523 nan 8.270 nan 0.000 0.526 6172 R N -0.894 119.630 120.500 0.040 0.000 3.525 6172 R HA -0.109 4.231 4.340 0.000 0.000 0.276 6172 R C -0.745 175.580 176.300 0.041 0.000 1.116 6172 R CA 0.538 56.658 56.100 0.033 0.000 0.745 6172 R CB -2.608 27.706 30.300 0.024 0.000 1.185 6172 R HN 0.534 nan 8.270 nan 0.000 0.454 6173 V N 1.495 121.446 119.914 0.061 0.000 2.572 6173 V HA 0.049 4.169 4.120 0.000 0.000 0.291 6173 V C 1.475 177.583 176.094 0.023 0.000 1.039 6173 V CA -0.172 62.167 62.300 0.065 0.000 1.055 6173 V CB 1.233 33.130 31.823 0.123 0.000 0.969 6173 V HN 0.147 nan 8.190 nan 0.000 0.482 6174 K N 3.490 123.889 120.400 -0.001 0.000 2.484 6174 K HA -0.046 4.274 4.320 0.000 0.000 0.280 6174 K C 1.204 177.792 176.600 -0.021 0.000 1.013 6174 K CA -0.135 56.143 56.287 -0.014 0.000 1.029 6174 K CB 0.422 32.906 32.500 -0.027 0.000 0.902 6174 K HN 0.607 nan 8.250 nan 0.000 0.481 6175 K N 2.351 122.743 120.400 -0.014 0.000 2.103 6175 K HA -0.168 4.152 4.320 0.000 0.000 0.207 6175 K C 1.890 178.474 176.600 -0.026 0.000 1.048 6175 K CA 2.049 58.328 56.287 -0.014 0.000 0.930 6175 K CB -0.408 32.087 32.500 -0.008 0.000 0.716 6175 K HN 0.577 nan 8.250 nan 0.000 0.444 6176 S N 0.246 115.928 115.700 -0.030 0.000 2.368 6176 S HA -0.144 4.326 4.470 0.000 0.000 0.225 6176 S C 1.339 175.905 174.600 -0.058 0.000 1.030 6176 S CA 1.656 59.833 58.200 -0.038 0.000 0.999 6176 S CB -0.466 62.713 63.200 -0.035 0.000 0.844 6176 S HN 0.394 nan 8.310 nan 0.000 0.459 6177 D N 0.846 121.203 120.400 -0.072 0.000 2.218 6177 D HA -0.036 4.604 4.640 0.000 0.000 0.204 6177 D C 1.946 178.158 176.300 -0.148 0.000 0.976 6177 D CA 0.795 54.726 54.000 -0.116 0.000 0.853 6177 D CB -0.206 40.519 40.800 -0.125 0.000 0.939 6177 D HN 0.390 nan 8.370 nan 0.000 0.481 6178 M N 0.344 119.883 119.600 -0.101 0.000 2.117 6178 M HA -0.105 4.375 4.480 0.000 0.000 0.262 6178 M C 2.023 178.278 176.300 -0.075 0.000 1.065 6178 M CA 1.013 56.261 55.300 -0.087 0.000 1.114 6178 M CB -0.775 31.806 32.600 -0.032 0.000 1.361 6178 M HN 0.047 nan 8.290 nan 0.000 0.408 6179 E N 0.993 121.158 120.200 -0.059 0.000 2.150 6179 E HA -0.154 4.196 4.350 0.000 0.000 0.193 6179 E C 1.775 178.341 176.600 -0.057 0.000 0.985 6179 E CA 1.040 57.412 56.400 -0.046 0.000 0.814 6179 E CB 0.085 29.764 29.700 -0.034 0.000 0.752 6179 E HN 0.488 nan 8.360 nan 0.000 0.466 6180 K N 0.203 120.556 120.400 -0.077 0.000 2.057 6180 K HA -0.070 4.250 4.320 0.000 0.000 0.206 6180 K C 2.422 178.963 176.600 -0.098 0.000 1.050 6180 K CA 0.998 57.235 56.287 -0.083 0.000 0.935 6180 K CB -0.102 32.338 32.500 -0.099 0.000 0.715 6180 K HN 0.157 nan 8.250 nan 0.000 0.439 6181 L N 0.524 121.661 121.223 -0.144 0.000 2.093 6181 L HA -0.154 4.187 4.340 0.000 0.000 0.208 6181 L C 2.580 179.403 176.870 -0.079 0.000 1.085 6181 L CA 0.938 55.681 54.840 -0.161 0.000 0.755 6181 L CB -0.525 41.359 42.059 -0.292 0.000 0.904 6181 L HN 0.199 nan 8.230 nan 0.000 0.435 6182 A N -0.219 122.566 122.820 -0.057 0.000 1.898 6182 A HA -0.168 4.153 4.320 0.000 0.000 0.216 6182 A C 2.351 179.926 177.584 -0.015 0.000 1.181 6182 A CA 1.352 53.375 52.037 -0.024 0.000 0.620 6182 A CB -0.246 18.742 19.000 -0.019 0.000 0.819 6182 A HN 0.172 nan 8.150 nan 0.000 0.442 6183 K N -0.140 120.247 120.400 -0.022 0.000 2.057 6183 K HA -0.013 4.308 4.320 0.000 0.000 0.206 6183 K C 2.317 178.915 176.600 -0.003 0.000 1.050 6183 K CA 1.290 57.571 56.287 -0.011 0.000 0.935 6183 K CB -0.683 31.808 32.500 -0.016 0.000 0.715 6183 K HN 0.442 nan 8.250 nan 0.000 0.439 6184 A N 1.240 124.050 122.820 -0.016 0.000 1.832 6184 A HA -0.139 4.181 4.320 0.000 0.000 0.214 6184 A C 2.337 179.924 177.584 0.005 0.000 1.200 6184 A CA 2.620 54.652 52.037 -0.009 0.000 0.610 6184 A CB -1.075 17.907 19.000 -0.030 0.000 0.842 6184 A HN 0.475 nan 8.150 nan 0.000 0.444 6185 T N -4.204 110.350 114.554 -0.000 0.000 3.043 6185 T HA 0.364 4.714 4.350 0.000 0.000 0.263 6185 T C 1.419 176.134 174.700 0.025 0.000 1.094 6185 T CA 1.222 63.331 62.100 0.015 0.000 1.127 6185 T CB -0.129 68.753 68.868 0.023 0.000 0.905 6185 T HN 1.862 nan 8.240 nan 0.000 0.490 6186 G N 1.390 110.202 108.800 0.021 0.000 2.147 6186 G HA2 -0.004 3.956 3.960 0.000 0.000 0.244 6186 G HA3 -0.004 3.956 3.960 0.000 0.000 0.244 6186 G C 0.216 175.129 174.900 0.022 0.000 1.005 6186 G CA -0.036 45.078 45.100 0.024 0.000 0.713 6186 G HN 1.171 nan 8.290 nan 0.000 0.515 6187 A N -0.413 122.419 122.820 0.020 0.000 2.371 6187 A HA 0.643 4.963 4.320 0.000 0.000 0.257 6187 A C 0.384 177.979 177.584 0.019 0.000 1.089 6187 A CA 0.281 52.333 52.037 0.026 0.000 0.794 6187 A CB 0.522 19.545 19.000 0.038 0.000 1.029 6187 A HN 0.756 nan 8.150 nan 0.000 0.488 6188 N N 1.276 119.989 118.700 0.022 0.000 2.424 6188 N HA 0.369 5.109 4.740 0.000 0.000 0.271 6188 N C -0.917 174.604 175.510 0.020 0.000 0.985 6188 N CA -0.345 52.715 53.050 0.016 0.000 0.921 6188 N CB 1.275 39.771 38.487 0.015 0.000 1.149 6188 N HN 0.280 nan 8.380 nan 0.000 0.492 6189 V N 4.926 124.849 119.914 0.014 0.000 2.446 6189 V HA 0.147 4.267 4.120 0.000 0.000 0.276 6189 V C 0.481 176.585 176.094 0.016 0.000 1.030 6189 V CA -0.168 62.142 62.300 0.016 0.000 1.033 6189 V CB -0.837 30.991 31.823 0.009 0.000 0.993 6189 V HN 0.579 nan 8.190 nan 0.000 0.477 6190 I N 2.371 122.953 120.570 0.020 0.000 2.603 6190 I HA 0.633 4.803 4.170 0.000 0.000 0.300 6190 I C 0.663 176.790 176.117 0.016 0.000 1.017 6190 I CA 0.108 61.417 61.300 0.016 0.000 1.098 6190 I CB 1.964 39.974 38.000 0.017 0.000 1.279 6190 I HN 0.341 nan 8.210 nan 0.000 0.437 6191 T N 1.388 115.950 114.554 0.013 0.000 2.815 6191 T HA 0.091 4.441 4.350 0.000 0.000 0.244 6191 T C 0.727 175.435 174.700 0.013 0.000 1.040 6191 T CA 0.872 62.980 62.100 0.013 0.000 1.176 6191 T CB -0.259 68.615 68.868 0.010 0.000 0.880 6191 T HN 0.677 nan 8.240 nan 0.000 0.414 6192 N N 1.125 119.832 118.700 0.011 0.000 2.472 6192 N HA 0.240 4.980 4.740 0.000 0.000 0.277 6192 N C 0.873 176.390 175.510 0.012 0.000 1.081 6192 N CA -0.129 52.928 53.050 0.011 0.000 0.973 6192 N CB 0.673 39.166 38.487 0.010 0.000 1.105 6192 N HN 0.175 nan 8.380 nan 0.000 0.470 6193 I N 2.351 122.928 120.570 0.012 0.000 2.361 6193 I HA -0.248 3.922 4.170 0.000 0.000 0.251 6193 I C 2.019 178.143 176.117 0.010 0.000 1.133 6193 I CA 0.857 62.164 61.300 0.012 0.000 1.413 6193 I CB -0.041 37.967 38.000 0.013 0.000 1.073 6193 I HN 0.510 nan 8.210 nan 0.000 0.424 6194 K N 1.388 121.794 120.400 0.010 0.000 2.103 6194 K HA -0.222 4.098 4.320 0.000 0.000 0.207 6194 K C 1.332 177.937 176.600 0.008 0.000 1.048 6194 K CA 1.780 58.073 56.287 0.009 0.000 0.930 6194 K CB -0.231 32.275 32.500 0.009 0.000 0.716 6194 K HN 0.252 nan 8.250 nan 0.000 0.444 6195 D N -0.511 119.895 120.400 0.009 0.000 2.277 6195 D HA -0.029 4.611 4.640 0.000 0.000 0.208 6195 D C -0.170 176.135 176.300 0.009 0.000 0.962 6195 D CA 0.173 54.178 54.000 0.008 0.000 0.865 6195 D CB -0.012 40.793 40.800 0.009 0.000 0.939 6195 D HN 0.089 nan 8.370 nan 0.000 0.510 6196 L N 1.172 122.400 121.223 0.009 0.000 2.601 6196 L HA 0.103 4.443 4.340 0.000 0.000 0.277 6196 L C 0.160 177.034 176.870 0.007 0.000 1.219 6196 L CA 0.310 55.156 54.840 0.009 0.000 0.915 6196 L CB 0.046 42.111 42.059 0.009 0.000 1.160 6196 L HN -0.008 nan 8.230 nan 0.000 0.494 6197 S N 3.294 118.998 115.700 0.008 0.000 2.661 6197 S HA 0.788 5.258 4.470 0.000 0.000 0.285 6197 S C 0.775 175.380 174.600 0.007 0.000 1.138 6197 S CA -0.393 57.811 58.200 0.006 0.000 0.855 6197 S CB 1.270 64.474 63.200 0.006 0.000 1.136 6197 S HN 0.842 nan 8.310 nan 0.000 0.484 6198 A N 0.560 123.384 122.820 0.005 0.000 1.978 6198 A HA -0.083 4.237 4.320 0.000 0.000 0.220 6198 A C 1.992 179.581 177.584 0.009 0.000 1.170 6198 A CA 1.353 53.393 52.037 0.006 0.000 0.636 6198 A CB -0.869 18.134 19.000 0.004 0.000 0.810 6198 A HN 0.735 nan 8.150 nan 0.000 0.448 6199 Q N 0.056 119.861 119.800 0.009 0.000 2.437 6199 Q HA -0.101 4.239 4.340 0.000 0.000 0.210 6199 Q C 0.573 176.581 176.000 0.013 0.000 0.972 6199 Q CA 1.062 56.872 55.803 0.011 0.000 0.903 6199 Q CB -0.214 28.530 28.738 0.009 0.000 0.967 6199 Q HN 0.671 nan 8.270 nan 0.000 0.486 6200 D N -0.408 120.000 120.400 0.014 0.000 2.354 6200 D HA 0.021 4.661 4.640 0.000 0.000 0.209 6200 D C 0.070 176.383 176.300 0.022 0.000 1.015 6200 D CA 0.012 54.022 54.000 0.017 0.000 0.867 6200 D CB 0.465 41.275 40.800 0.016 0.000 0.933 6200 D HN 0.104 nan 8.370 nan 0.000 0.520 6201 L N 0.925 122.161 121.223 0.022 0.000 2.397 6201 L HA 0.369 4.709 4.340 0.000 0.000 0.271 6201 L C 1.218 178.106 176.870 0.030 0.000 1.148 6201 L CA -0.101 54.756 54.840 0.028 0.000 0.825 6201 L CB 1.159 43.231 42.059 0.022 0.000 1.117 6201 L HN -0.176 nan 8.230 nan 0.000 0.456 6202 G N 1.066 109.889 108.800 0.038 0.000 2.491 6202 G HA2 0.555 4.515 3.960 0.000 0.000 0.327 6202 G HA3 0.555 4.515 3.960 0.000 0.000 0.327 6202 G C -1.330 173.593 174.900 0.038 0.000 1.189 6202 G CA -0.414 44.708 45.100 0.037 0.000 0.956 6202 G HN 0.570 nan 8.290 nan 0.000 0.491 6203 D N -0.686 119.734 120.400 0.033 0.000 2.350 6203 D HA 0.651 5.291 4.640 0.000 0.000 0.245 6203 D C -0.200 176.116 176.300 0.026 0.000 1.036 6203 D CA 0.141 54.157 54.000 0.027 0.000 0.848 6203 D CB 2.008 42.819 40.800 0.018 0.000 1.307 6203 D HN 0.611 nan 8.370 nan 0.000 0.469 6204 A N 0.645 123.483 122.820 0.030 0.000 2.488 6204 A HA 0.624 4.944 4.320 0.000 0.000 0.298 6204 A C 0.999 178.598 177.584 0.026 0.000 1.044 6204 A CA -0.498 51.558 52.037 0.031 0.000 0.693 6204 A CB 1.509 20.542 19.000 0.055 0.000 1.272 6204 A HN 0.585 nan 8.150 nan 0.000 0.402 6205 G N 0.622 109.431 108.800 0.015 0.000 2.408 6205 G HA2 0.246 4.206 3.960 0.000 0.000 0.217 6205 G HA3 0.246 4.206 3.960 0.000 0.000 0.217 6205 G C 0.393 175.304 174.900 0.020 0.000 1.150 6205 G CA 0.887 45.993 45.100 0.010 0.000 0.776 6205 G HN 0.612 nan 8.290 nan 0.000 0.542 6206 L N 0.265 121.508 121.223 0.033 0.000 2.436 6206 L HA 0.523 4.863 4.340 0.000 0.000 0.268 6206 L C -1.383 175.533 176.870 0.077 0.000 0.974 6206 L CA -0.807 54.059 54.840 0.043 0.000 0.826 6206 L CB 3.082 45.160 42.059 0.032 0.000 1.291 6206 L HN -0.222 nan 8.230 nan 0.000 0.406 6207 V N 2.466 122.429 119.914 0.080 0.000 2.409 6207 V HA 0.493 4.613 4.120 0.000 0.000 0.290 6207 V C -0.579 175.574 176.094 0.098 0.000 1.017 6207 V CA -0.442 61.929 62.300 0.118 0.000 0.841 6207 V CB 1.834 33.728 31.823 0.119 0.000 1.003 6207 V HN 0.783 nan 8.190 nan 0.000 0.426 6208 E N 3.038 123.321 120.200 0.138 0.000 2.343 6208 E HA 0.394 4.744 4.350 0.000 0.000 0.278 6208 E C -1.156 175.545 176.600 0.167 0.000 0.910 6208 E CA -0.659 55.806 56.400 0.108 0.000 0.757 6208 E CB 2.351 32.085 29.700 0.057 0.000 1.218 6208 E HN 0.747 nan 8.360 nan 0.000 0.435 6209 E N 4.133 124.401 120.200 0.113 0.000 2.152 6209 E HA 0.251 4.601 4.350 0.000 0.000 0.285 6209 E C -0.942 175.725 176.600 0.112 0.000 1.043 6209 E CA -0.255 56.221 56.400 0.127 0.000 0.839 6209 E CB 0.673 30.416 29.700 0.072 0.000 1.069 6209 E HN 0.322 nan 8.360 nan 0.000 0.399 6210 R N 3.670 124.277 120.500 0.178 0.000 2.686 6210 R HA 0.386 4.726 4.340 0.000 0.000 0.286 6210 R C -0.739 175.647 176.300 0.144 0.000 0.969 6210 R CA -0.911 55.252 56.100 0.105 0.000 0.898 6210 R CB 2.008 32.289 30.300 -0.032 0.000 1.183 6210 R HN 0.319 nan 8.270 nan 0.000 0.456 6211 K N 2.420 122.866 120.400 0.076 0.000 2.211 6211 K HA 0.379 4.699 4.320 0.000 0.000 0.275 6211 K C -0.671 175.971 176.600 0.071 0.000 1.024 6211 K CA -0.467 55.864 56.287 0.073 0.000 0.887 6211 K CB 1.096 33.622 32.500 0.043 0.000 1.084 6211 K HN 0.295 nan 8.250 nan 0.000 0.463 6212 I N 2.043 122.667 120.570 0.090 0.000 2.390 6212 I HA 0.069 4.239 4.170 0.000 0.000 0.283 6212 I C -0.029 176.120 176.117 0.054 0.000 1.016 6212 I CA -0.062 61.285 61.300 0.078 0.000 1.151 6212 I CB 1.660 39.731 38.000 0.120 0.000 1.293 6212 I HN 0.594 nan 8.210 nan 0.000 0.458 6213 S N 4.343 120.066 115.700 0.039 0.000 3.698 6213 S HA -0.178 4.292 4.470 0.000 0.000 0.338 6213 S C 1.312 175.929 174.600 0.028 0.000 1.089 6213 S CA 0.976 59.194 58.200 0.030 0.000 0.991 6213 S CB -1.412 61.806 63.200 0.029 0.000 0.909 6213 S HN 1.454 nan 8.310 nan 0.000 0.485 6214 G N 0.641 109.458 108.800 0.029 0.000 2.579 6214 G HA2 -0.287 3.673 3.960 0.000 0.000 0.222 6214 G HA3 -0.287 3.673 3.960 0.000 0.000 0.222 6214 G C -0.351 174.568 174.900 0.032 0.000 1.201 6214 G CA 0.107 45.223 45.100 0.026 0.000 0.710 6214 G HN 0.614 nan 8.290 nan 0.000 0.516 6215 D N 2.482 122.902 120.400 0.034 0.000 2.401 6215 D HA 0.435 5.075 4.640 0.000 0.000 0.254 6215 D C 1.041 177.373 176.300 0.054 0.000 1.192 6215 D CA 0.989 55.011 54.000 0.036 0.000 0.885 6215 D CB 1.236 42.054 40.800 0.030 0.000 1.147 6215 D HN 0.687 nan 8.370 nan 0.000 0.478 6216 S N 2.597 118.328 115.700 0.052 0.000 2.565 6216 S HA 0.584 5.054 4.470 0.000 0.000 0.274 6216 S C 0.103 174.748 174.600 0.074 0.000 1.309 6216 S CA -0.666 57.577 58.200 0.072 0.000 1.043 6216 S CB 1.290 64.524 63.200 0.057 0.000 0.939 6216 S HN 0.397 nan 8.310 nan 0.000 0.504 6217 M N 2.061 121.732 119.600 0.117 0.000 2.593 6217 M HA 0.508 4.989 4.480 0.000 0.000 0.290 6217 M C -1.237 175.137 176.300 0.124 0.000 1.244 6217 M CA -0.594 54.745 55.300 0.064 0.000 0.857 6217 M CB 2.240 34.823 32.600 -0.028 0.000 1.738 6217 M HN 0.566 nan 8.290 nan 0.000 0.461 6218 I N 1.660 122.249 120.570 0.032 0.000 2.339 6218 I HA 0.373 4.543 4.170 0.000 0.000 0.290 6218 I C -1.363 174.751 176.117 -0.004 0.000 0.994 6218 I CA -0.369 61.011 61.300 0.133 0.000 1.191 6218 I CB 0.917 39.044 38.000 0.210 0.000 1.343 6218 I HN 0.425 nan 8.210 nan 0.000 0.458 6219 F N 5.909 125.904 119.950 0.075 0.000 2.405 6219 F HA 0.365 4.892 4.527 0.000 0.000 0.355 6219 F C 0.193 176.036 175.800 0.071 0.000 1.121 6219 F CA -0.735 57.297 58.000 0.053 0.000 1.112 6219 F CB 1.379 40.398 39.000 0.032 0.000 1.126 6219 F HN 0.031 nan 8.300 nan 0.000 0.481 6220 V N 4.353 124.370 119.914 0.170 0.000 2.275 6220 V HA 0.316 4.436 4.120 0.000 0.000 0.272 6220 V C -0.303 175.851 176.094 0.099 0.000 1.028 6220 V CA -0.578 61.801 62.300 0.131 0.000 0.810 6220 V CB 0.250 32.115 31.823 0.071 0.000 1.043 6220 V HN 0.806 nan 8.190 nan 0.000 0.453 6221 E N 2.997 123.262 120.200 0.110 0.000 2.378 6221 E HA 0.679 5.029 4.350 0.000 0.000 0.265 6221 E C -0.617 176.010 176.600 0.046 0.000 0.932 6221 E CA -0.889 55.561 56.400 0.082 0.000 0.795 6221 E CB 1.699 31.463 29.700 0.106 0.000 1.296 6221 E HN 0.207 nan 8.360 nan 0.000 0.438 6222 E N -0.841 119.374 120.200 0.025 0.000 2.596 6222 E HA -0.147 4.203 4.350 0.000 0.000 0.272 6222 E C -0.662 175.929 176.600 -0.014 0.000 1.039 6222 E CA 0.514 56.915 56.400 0.001 0.000 0.804 6222 E CB -2.240 27.462 29.700 0.002 0.000 1.373 6222 E HN 0.597 nan 8.360 nan 0.000 0.404 6223 C N 0.713 120.006 119.300 -0.012 0.000 2.689 6223 C HA 0.067 4.527 4.460 0.000 0.000 0.409 6223 C C 2.296 177.239 174.990 -0.079 0.000 1.293 6223 C CA -0.077 58.927 59.018 -0.024 0.000 2.136 6223 C CB 0.443 28.178 27.740 -0.007 0.000 2.719 6223 C HN 0.384 nan 8.230 nan 0.000 0.644 6224 K N 0.620 120.956 120.400 -0.107 0.000 1.969 6224 K HA -0.090 4.230 4.320 0.000 0.000 0.216 6224 K C 0.416 176.715 176.600 -0.502 0.000 1.048 6224 K CA 1.379 57.498 56.287 -0.279 0.000 0.948 6224 K CB -0.087 32.303 32.500 -0.183 0.000 0.726 6224 K HN 0.686 nan 8.250 nan 0.000 0.442 6225 H N 0.195 119.268 119.070 0.006 0.000 2.488 6225 H HA 0.240 4.796 4.556 -0.000 0.000 0.237 6225 H C -2.535 172.794 175.328 0.001 0.000 1.395 6225 H CA -1.998 54.052 56.048 0.003 0.000 1.491 6225 H CB 0.748 30.512 29.762 0.002 0.000 1.567 6225 H HN 0.192 nan 8.280 nan 0.000 0.508 6226 P HA 0.133 nan 4.420 nan 0.000 0.275 6226 P C 0.267 177.591 177.300 0.040 0.000 1.227 6226 P CA -0.511 62.612 63.100 0.038 0.000 0.781 6226 P CB 1.807 33.515 31.700 0.014 0.000 0.906 6227 K N 0.668 121.083 120.400 0.024 0.000 2.374 6227 K HA 0.449 4.769 4.320 0.000 0.000 0.202 6227 K C 0.285 176.887 176.600 0.002 0.000 1.040 6227 K CA 0.039 56.335 56.287 0.015 0.000 1.085 6227 K CB 0.696 33.203 32.500 0.011 0.000 0.873 6227 K HN 0.534 nan 8.250 nan 0.000 0.539 6228 A N 0.522 123.340 122.820 -0.004 0.000 2.449 6228 A HA 0.686 5.006 4.320 0.000 0.000 0.302 6228 A C -0.901 176.674 177.584 -0.014 0.000 1.048 6228 A CA -0.771 51.257 52.037 -0.015 0.000 0.708 6228 A CB 1.253 20.235 19.000 -0.030 0.000 1.274 6228 A HN -0.004 nan 8.150 nan 0.000 0.410 6229 V N -1.154 118.752 119.914 -0.014 0.000 3.074 6229 V HA 0.978 5.098 4.120 0.000 0.000 0.314 6229 V C -0.427 175.654 176.094 -0.020 0.000 1.117 6229 V CA -0.585 61.709 62.300 -0.010 0.000 1.014 6229 V CB 1.659 33.483 31.823 0.002 0.000 1.057 6229 V HN 0.879 nan 8.190 nan 0.000 0.438 6230 T N 3.305 117.850 114.554 -0.016 0.000 2.886 6230 T HA 0.633 4.983 4.350 0.000 0.000 0.292 6230 T C -0.557 174.141 174.700 -0.003 0.000 1.012 6230 T CA -0.352 61.731 62.100 -0.028 0.000 0.982 6230 T CB 1.492 70.319 68.868 -0.068 0.000 1.018 6230 T HN 0.748 nan 8.240 nan 0.000 0.451 6231 M N 3.404 123.002 119.600 -0.005 0.000 2.072 6231 M HA 0.382 4.862 4.480 0.000 0.000 0.331 6231 M C -0.954 175.352 176.300 0.011 0.000 1.004 6231 M CA -0.905 54.403 55.300 0.013 0.000 0.952 6231 M CB 1.323 33.929 32.600 0.010 0.000 1.511 6231 M HN 0.343 nan 8.290 nan 0.000 0.422 6232 L N 5.789 127.034 121.223 0.036 0.000 2.315 6232 L HA 0.465 4.805 4.340 0.000 0.000 0.283 6232 L C -0.796 176.100 176.870 0.042 0.000 1.089 6232 L CA 0.250 55.115 54.840 0.042 0.000 0.833 6232 L CB 0.248 42.370 42.059 0.105 0.000 1.170 6232 L HN 0.557 nan 8.230 nan 0.000 0.442 6233 I N 6.030 126.616 120.570 0.026 0.000 2.331 6233 I HA 0.391 4.561 4.170 0.000 0.000 0.292 6233 I C 0.336 176.470 176.117 0.027 0.000 0.998 6233 I CA -0.419 60.895 61.300 0.023 0.000 1.267 6233 I CB 0.732 38.740 38.000 0.013 0.000 1.386 6233 I HN 0.611 nan 8.210 nan 0.000 0.476 6234 R N 3.701 124.218 120.500 0.029 0.000 2.828 6234 R HA 0.896 5.236 4.340 0.000 0.000 0.264 6234 R C -0.350 175.965 176.300 0.024 0.000 1.022 6234 R CA -0.968 55.149 56.100 0.028 0.000 1.021 6234 R CB 2.206 32.524 30.300 0.031 0.000 1.163 6234 R HN 0.843 nan 8.270 nan 0.000 0.494 6235 G N -0.774 108.041 108.800 0.024 0.000 2.340 6235 G HA2 0.032 3.992 3.960 0.000 0.000 0.298 6235 G HA3 0.032 3.992 3.960 0.000 0.000 0.298 6235 G C 0.033 174.949 174.900 0.027 0.000 1.498 6235 G CA -0.677 44.438 45.100 0.025 0.000 0.847 6235 G HN 0.398 nan 8.290 nan 0.000 0.594 6236 T N 0.343 114.913 114.554 0.028 0.000 2.881 6236 T HA 0.159 4.509 4.350 0.000 0.000 0.270 6236 T C 0.917 175.638 174.700 0.035 0.000 1.068 6236 T CA 2.098 64.215 62.100 0.028 0.000 1.131 6236 T CB -0.179 68.704 68.868 0.025 0.000 0.871 6236 T HN 0.674 nan 8.240 nan 0.000 0.479 6237 T N 0.175 114.756 114.554 0.045 0.000 2.868 6237 T HA 0.230 4.580 4.350 0.000 0.000 0.306 6237 T C 0.358 175.098 174.700 0.067 0.000 1.224 6237 T CA -0.798 61.341 62.100 0.065 0.000 1.012 6237 T CB 2.435 71.352 68.868 0.082 0.000 1.221 6237 T HN -0.179 nan 8.240 nan 0.000 0.499 6238 E N 0.650 120.889 120.200 0.066 0.000 2.097 6238 E HA -0.180 4.170 4.350 0.000 0.000 0.196 6238 E C 1.566 178.140 176.600 -0.044 0.000 1.000 6238 E CA 1.824 58.222 56.400 -0.002 0.000 0.804 6238 E CB -0.107 29.569 29.700 -0.040 0.000 0.740 6238 E HN 0.605 nan 8.360 nan 0.000 0.454 6239 H N -0.493 118.581 119.070 0.007 0.000 2.457 6239 H HA -0.026 4.530 4.556 -0.000 0.000 0.294 6239 H C 2.121 177.453 175.328 0.007 0.000 1.064 6239 H CA 0.957 57.008 56.048 0.006 0.000 1.330 6239 H CB 0.112 29.877 29.762 0.005 0.000 1.395 6239 H HN -0.061 nan 8.280 nan 0.000 0.541 6240 V N 1.280 121.266 119.914 0.120 0.000 2.323 6240 V HA -0.195 3.925 4.120 0.000 0.000 0.244 6240 V C 2.320 178.439 176.094 0.042 0.000 1.041 6240 V CA 1.806 64.147 62.300 0.070 0.000 1.025 6240 V CB -0.472 31.384 31.823 0.055 0.000 0.656 6240 V HN 0.544 nan 8.190 nan 0.000 0.451 6241 I N -1.723 118.864 120.570 0.029 0.000 2.830 6241 I HA -0.100 4.070 4.170 0.000 0.000 0.263 6241 I C 2.109 178.227 176.117 0.000 0.000 1.230 6241 I CA 1.429 62.736 61.300 0.013 0.000 1.480 6241 I CB -0.579 37.426 38.000 0.008 0.000 1.095 6241 I HN 0.303 nan 8.210 nan 0.000 0.455 6242 E N 1.487 121.682 120.200 -0.009 0.000 2.072 6242 E HA -0.247 4.103 4.350 0.000 0.000 0.191 6242 E C 2.010 178.611 176.600 0.001 0.000 0.985 6242 E CA 1.473 57.861 56.400 -0.021 0.000 0.801 6242 E CB 0.008 29.676 29.700 -0.054 0.000 0.750 6242 E HN 0.559 nan 8.360 nan 0.000 0.452 6243 E N 0.603 120.815 120.200 0.019 0.000 2.106 6243 E HA -0.130 4.220 4.350 0.000 0.000 0.192 6243 E C 1.928 178.539 176.600 0.019 0.000 0.984 6243 E CA 0.802 57.216 56.400 0.023 0.000 0.806 6243 E CB 0.028 29.748 29.700 0.034 0.000 0.750 6243 E HN 0.003 nan 8.360 nan 0.000 0.458 6244 V N 0.949 120.874 119.914 0.019 0.000 2.343 6244 V HA -0.240 3.880 4.120 0.000 0.000 0.247 6244 V C 2.404 178.505 176.094 0.011 0.000 1.051 6244 V CA 1.742 64.052 62.300 0.017 0.000 1.036 6244 V CB -0.956 30.878 31.823 0.018 0.000 0.654 6244 V HN 0.474 nan 8.190 nan 0.000 0.451 6245 A N -0.123 122.701 122.820 0.006 0.000 1.940 6245 A HA -0.202 4.118 4.320 0.000 0.000 0.219 6245 A C 2.354 179.939 177.584 0.002 0.000 1.176 6245 A CA 1.502 53.539 52.037 0.000 0.000 0.631 6245 A CB -0.409 18.587 19.000 -0.007 0.000 0.814 6245 A HN 0.416 nan 8.150 nan 0.000 0.446 6246 R N -0.581 119.921 120.500 0.004 0.000 2.115 6246 R HA 0.048 4.388 4.340 0.000 0.000 0.226 6246 R C 2.388 178.693 176.300 0.009 0.000 1.100 6246 R CA 1.207 57.310 56.100 0.006 0.000 0.980 6246 R CB -0.939 29.366 30.300 0.007 0.000 0.875 6246 R HN 0.527 nan 8.270 nan 0.000 0.445 6247 A N 1.162 123.989 122.820 0.013 0.000 1.898 6247 A HA -0.116 4.205 4.320 0.000 0.000 0.216 6247 A C 2.269 179.862 177.584 0.015 0.000 1.181 6247 A CA 1.797 53.844 52.037 0.017 0.000 0.620 6247 A CB -0.521 18.492 19.000 0.021 0.000 0.819 6247 A HN 0.209 nan 8.150 nan 0.000 0.442 6248 V N -2.494 117.427 119.914 0.012 0.000 2.951 6248 V HA -0.050 4.070 4.120 0.000 0.000 0.255 6248 V C 1.833 177.931 176.094 0.007 0.000 1.088 6248 V CA 2.090 64.396 62.300 0.010 0.000 1.109 6248 V CB -0.543 31.285 31.823 0.009 0.000 0.724 6248 V HN 0.392 nan 8.190 nan 0.000 0.471 6249 D N 1.236 121.638 120.400 0.005 0.000 2.117 6249 D HA -0.164 4.476 4.640 0.000 0.000 0.198 6249 D C 1.764 178.067 176.300 0.005 0.000 0.982 6249 D CA 1.725 55.726 54.000 0.002 0.000 0.828 6249 D CB -0.132 40.668 40.800 0.001 0.000 0.967 6249 D HN 0.488 nan 8.370 nan 0.000 0.464 6250 D N -0.299 120.106 120.400 0.007 0.000 2.103 6250 D HA -0.018 4.622 4.640 0.000 0.000 0.199 6250 D C 1.955 178.261 176.300 0.010 0.000 0.978 6250 D CA 1.385 55.390 54.000 0.009 0.000 0.829 6250 D CB -0.472 40.335 40.800 0.011 0.000 0.981 6250 D HN 0.241 nan 8.370 nan 0.000 0.464 6251 A N 0.648 123.475 122.820 0.012 0.000 1.877 6251 A HA -0.128 4.192 4.320 0.000 0.000 0.216 6251 A C 2.380 179.970 177.584 0.010 0.000 1.186 6251 A CA 1.285 53.330 52.037 0.013 0.000 0.620 6251 A CB -0.903 18.106 19.000 0.015 0.000 0.822 6251 A HN 0.181 nan 8.150 nan 0.000 0.443 6252 V N -0.024 119.895 119.914 0.008 0.000 2.759 6252 V HA -0.081 4.039 4.120 0.000 0.000 0.256 6252 V C 2.298 178.396 176.094 0.006 0.000 1.080 6252 V CA 2.089 64.393 62.300 0.006 0.000 1.101 6252 V CB -0.676 31.150 31.823 0.004 0.000 0.698 6252 V HN 0.570 nan 8.190 nan 0.000 0.477 6253 G N -0.124 108.680 108.800 0.006 0.000 2.404 6253 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 6253 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 6253 G C 1.618 176.522 174.900 0.007 0.000 1.189 6253 G CA 1.328 46.431 45.100 0.006 0.000 0.789 6253 G HN 0.660 nan 8.290 nan 0.000 0.533 6254 V N -1.064 118.855 119.914 0.009 0.000 2.809 6254 V HA -0.006 4.114 4.120 0.000 0.000 0.256 6254 V C 2.629 178.729 176.094 0.010 0.000 1.080 6254 V CA 1.119 63.425 62.300 0.010 0.000 1.102 6254 V CB -0.424 31.406 31.823 0.012 0.000 0.705 6254 V HN 0.118 nan 8.190 nan 0.000 0.475 6255 V N 2.102 122.022 119.914 0.009 0.000 2.407 6255 V HA -0.081 4.039 4.120 0.000 0.000 0.248 6255 V C 2.849 178.947 176.094 0.007 0.000 1.055 6255 V CA 2.317 64.622 62.300 0.008 0.000 1.049 6255 V CB -1.322 30.506 31.823 0.008 0.000 0.662 6255 V HN 0.629 nan 8.190 nan 0.000 0.455 6256 G N -1.459 107.345 108.800 0.006 0.000 2.403 6256 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 6256 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 6256 G C 1.717 176.621 174.900 0.006 0.000 1.154 6256 G CA 1.143 46.246 45.100 0.005 0.000 0.784 6256 G HN 0.529 nan 8.290 nan 0.000 0.538 6257 C N 0.569 119.873 119.300 0.007 0.000 2.425 6257 C HA -0.015 4.445 4.460 0.000 0.000 0.277 6257 C C 3.192 178.187 174.990 0.007 0.000 1.280 6257 C CA 1.536 60.558 59.018 0.007 0.000 1.744 6257 C CB -0.917 26.828 27.740 0.008 0.000 1.989 6257 C HN 0.412 nan 8.230 nan 0.000 0.491 6258 T N 0.963 115.521 114.554 0.008 0.000 2.951 6258 T HA 0.024 4.374 4.350 0.000 0.000 0.268 6258 T C 1.552 176.256 174.700 0.006 0.000 1.073 6258 T CA 0.957 63.062 62.100 0.008 0.000 1.134 6258 T CB -0.195 68.678 68.868 0.008 0.000 0.884 6258 T HN 0.497 nan 8.240 nan 0.000 0.479 6259 I N 0.744 121.317 120.570 0.006 0.000 2.439 6259 I HA -0.078 4.092 4.170 0.000 0.000 0.251 6259 I C 2.466 178.586 176.117 0.004 0.000 1.139 6259 I CA 1.189 62.492 61.300 0.005 0.000 1.438 6259 I CB -0.200 37.803 38.000 0.005 0.000 1.085 6259 I HN 0.298 nan 8.210 nan 0.000 0.427 6260 E N 0.123 120.326 120.200 0.005 0.000 2.086 6260 E HA -0.046 4.304 4.350 0.000 0.000 0.190 6260 E C 0.003 176.606 176.600 0.004 0.000 0.975 6260 E CA 0.660 57.062 56.400 0.004 0.000 0.813 6260 E CB 0.282 29.984 29.700 0.004 0.000 0.768 6260 E HN 0.328 nan 8.360 nan 0.000 0.457 6261 D N -0.130 120.273 120.400 0.005 0.000 2.453 6261 D HA 0.147 4.787 4.640 0.000 0.000 0.238 6261 D C 0.022 176.326 176.300 0.006 0.000 1.088 6261 D CA -0.122 53.882 54.000 0.006 0.000 0.854 6261 D CB 1.602 42.406 40.800 0.007 0.000 1.076 6261 D HN 0.106 nan 8.370 nan 0.000 0.533 6262 G N 2.167 110.970 108.800 0.005 0.000 3.279 6262 G HA2 -0.030 3.930 3.960 0.000 0.000 0.230 6262 G HA3 -0.030 3.930 3.960 0.000 0.000 0.230 6262 G C 0.712 175.615 174.900 0.006 0.000 1.230 6262 G CA -0.038 45.065 45.100 0.005 0.000 0.891 6262 G HN 0.074 nan 8.290 nan 0.000 0.518 6263 R N -0.297 120.207 120.500 0.007 0.000 2.589 6263 R HA 0.741 5.081 4.340 0.000 0.000 0.293 6263 R C -0.854 175.452 176.300 0.010 0.000 0.963 6263 R CA -0.647 55.458 56.100 0.008 0.000 0.905 6263 R CB 1.872 32.177 30.300 0.007 0.000 1.144 6263 R HN 0.172 nan 8.270 nan 0.000 0.459 6264 I N 2.415 122.992 120.570 0.011 0.000 2.828 6264 I HA 0.642 4.812 4.170 0.000 0.000 0.302 6264 I C -1.097 175.029 176.117 0.016 0.000 1.101 6264 I CA -1.114 60.194 61.300 0.013 0.000 1.031 6264 I CB 2.015 40.023 38.000 0.013 0.000 1.231 6264 I HN 0.472 nan 8.210 nan 0.000 0.427 6265 V N 2.385 122.310 119.914 0.018 0.000 2.914 6265 V HA 0.669 4.789 4.120 0.000 0.000 0.314 6265 V C -0.105 176.004 176.094 0.025 0.000 1.084 6265 V CA -0.614 61.700 62.300 0.022 0.000 0.963 6265 V CB 1.383 33.219 31.823 0.023 0.000 1.025 6265 V HN 0.811 nan 8.190 nan 0.000 0.432 6266 S N 2.207 117.926 115.700 0.031 0.000 2.562 6266 S HA 0.634 5.104 4.470 0.000 0.000 0.281 6266 S C 0.525 175.144 174.600 0.033 0.000 1.333 6266 S CA 0.185 58.406 58.200 0.035 0.000 1.052 6266 S CB 0.782 64.007 63.200 0.043 0.000 0.884 6266 S HN 1.775 nan 8.310 nan 0.000 0.506 6267 G N 0.423 109.244 108.800 0.035 0.000 2.782 6267 G HA2 0.566 4.526 3.960 0.000 0.000 0.201 6267 G HA3 0.566 4.526 3.960 0.000 0.000 0.201 6267 G C 0.860 175.779 174.900 0.031 0.000 1.374 6267 G CA -0.559 44.559 45.100 0.031 0.000 1.039 6267 G HN 2.024 nan 8.290 nan 0.000 0.576 6268 G N -1.846 106.971 108.800 0.028 0.000 2.225 6268 G HA2 0.242 4.202 3.960 0.000 0.000 0.267 6268 G HA3 0.242 4.202 3.960 0.000 0.000 0.267 6268 G C 1.456 176.357 174.900 0.003 0.000 1.024 6268 G CA 1.217 46.329 45.100 0.019 0.000 0.784 6268 G HN 2.471 nan 8.290 nan 0.000 0.507 6269 G N -1.452 107.345 108.800 -0.005 0.000 2.162 6269 G HA2 -0.122 3.838 3.960 0.000 0.000 0.260 6269 G HA3 -0.122 3.838 3.960 0.000 0.000 0.260 6269 G C 1.485 176.372 174.900 -0.023 0.000 0.976 6269 G CA 1.680 46.768 45.100 -0.020 0.000 0.655 6269 G HN 1.972 nan 8.290 nan 0.000 0.533 6270 S N 0.048 115.747 115.700 -0.001 0.000 2.368 6270 S HA -0.164 4.306 4.470 0.000 0.000 0.225 6270 S C 2.807 177.393 174.600 -0.022 0.000 1.030 6270 S CA 2.756 60.962 58.200 0.010 0.000 0.999 6270 S CB -0.580 62.651 63.200 0.052 0.000 0.844 6270 S HN 1.375 nan 8.310 nan 0.000 0.459 6271 T N 0.122 114.670 114.554 -0.010 0.000 2.614 6271 T HA -0.101 4.249 4.350 0.000 0.000 0.263 6271 T C 1.573 176.241 174.700 -0.054 0.000 1.055 6271 T CA 1.636 63.727 62.100 -0.016 0.000 1.162 6271 T CB -1.080 67.789 68.868 0.001 0.000 0.863 6271 T HN 0.425 nan 8.240 nan 0.000 0.414 6272 E N 1.029 121.198 120.200 -0.050 0.000 2.187 6272 E HA -0.094 4.256 4.350 0.000 0.000 0.199 6272 E C 2.285 178.824 176.600 -0.100 0.000 1.004 6272 E CA 1.084 57.445 56.400 -0.065 0.000 0.813 6272 E CB -0.863 28.799 29.700 -0.063 0.000 0.736 6272 E HN 0.421 nan 8.360 nan 0.000 0.468 6273 V N 1.004 120.834 119.914 -0.140 0.000 2.295 6273 V HA -0.232 3.888 4.120 0.000 0.000 0.246 6273 V C 2.386 178.251 176.094 -0.382 0.000 1.049 6273 V CA 1.875 64.040 62.300 -0.224 0.000 1.024 6273 V CB -0.447 31.236 31.823 -0.232 0.000 0.648 6273 V HN 0.301 nan 8.190 nan 0.000 0.447 6274 E N 0.324 120.240 120.200 -0.474 0.000 2.118 6274 E HA -0.207 4.143 4.350 0.000 0.000 0.195 6274 E C 2.155 178.676 176.600 -0.131 0.000 0.992 6274 E CA 1.491 57.640 56.400 -0.418 0.000 0.804 6274 E CB -0.144 29.504 29.700 -0.086 0.000 0.741 6274 E HN 0.586 nan 8.360 nan 0.000 0.458 6275 L N 0.150 121.324 121.223 -0.081 0.000 2.027 6275 L HA -0.138 4.202 4.340 0.000 0.000 0.206 6275 L C 2.860 179.739 176.870 0.015 0.000 1.074 6275 L CA 1.299 56.138 54.840 -0.002 0.000 0.745 6275 L CB -0.579 41.497 42.059 0.029 0.000 0.898 6275 L HN 0.105 nan 8.230 nan 0.000 0.433 6276 S N -0.454 115.230 115.700 -0.027 0.000 2.368 6276 S HA -0.174 4.296 4.470 0.000 0.000 0.225 6276 S C 2.137 176.736 174.600 -0.001 0.000 1.030 6276 S CA 1.106 59.299 58.200 -0.011 0.000 0.999 6276 S CB -0.005 63.169 63.200 -0.044 0.000 0.844 6276 S HN 0.195 nan 8.310 nan 0.000 0.459 6277 M N 0.958 120.539 119.600 -0.032 0.000 2.086 6277 M HA -0.020 4.460 4.480 0.000 0.000 0.261 6277 M C 2.244 178.567 176.300 0.039 0.000 1.067 6277 M CA 1.650 56.953 55.300 0.005 0.000 1.116 6277 M CB -1.256 31.351 32.600 0.011 0.000 1.348 6277 M HN 0.266 nan 8.290 nan 0.000 0.407 6278 K N 0.670 121.093 120.400 0.038 0.000 2.062 6278 K HA 0.013 4.333 4.320 0.000 0.000 0.205 6278 K C 1.893 178.538 176.600 0.076 0.000 1.051 6278 K CA 0.994 57.308 56.287 0.045 0.000 0.941 6278 K CB -0.322 32.188 32.500 0.017 0.000 0.719 6278 K HN 0.263 nan 8.250 nan 0.000 0.440 6279 L N 0.247 121.525 121.223 0.092 0.000 2.275 6279 L HA -0.058 4.282 4.340 0.000 0.000 0.215 6279 L C 2.356 179.310 176.870 0.140 0.000 1.119 6279 L CA 0.874 55.813 54.840 0.166 0.000 0.790 6279 L CB -0.264 41.900 42.059 0.175 0.000 0.919 6279 L HN 0.153 nan 8.230 nan 0.000 0.443 6280 R N 0.014 120.567 120.500 0.088 0.000 2.081 6280 R HA -0.199 4.141 4.340 0.000 0.000 0.235 6280 R C 2.185 178.523 176.300 0.064 0.000 1.131 6280 R CA 1.507 57.642 56.100 0.058 0.000 0.960 6280 R CB -0.175 30.148 30.300 0.038 0.000 0.856 6280 R HN 0.376 nan 8.270 nan 0.000 0.436 6281 E N -0.250 120.000 120.200 0.083 0.000 2.152 6281 E HA -0.202 4.149 4.350 0.000 0.000 0.192 6281 E C 1.587 178.269 176.600 0.136 0.000 0.983 6281 E CA 0.695 57.146 56.400 0.085 0.000 0.818 6281 E CB -0.013 29.731 29.700 0.074 0.000 0.758 6281 E HN 0.252 nan 8.360 nan 0.000 0.467 6282 Y N 0.934 121.230 120.300 -0.007 0.000 2.181 6282 Y HA -0.138 4.412 4.550 0.000 0.000 0.288 6282 Y C 2.052 177.939 175.900 -0.022 0.000 1.146 6282 Y CA 1.269 59.358 58.100 -0.018 0.000 1.164 6282 Y CB -0.827 37.615 38.460 -0.030 0.000 0.982 6282 Y HN 0.130 nan 8.280 nan 0.000 0.515 6283 A N 0.156 122.958 122.820 -0.030 0.000 1.908 6283 A HA -0.181 4.139 4.320 0.000 0.000 0.218 6283 A C 2.146 179.683 177.584 -0.079 0.000 1.181 6283 A CA 1.895 53.866 52.037 -0.110 0.000 0.627 6283 A CB -0.525 18.448 19.000 -0.045 0.000 0.818 6283 A HN 0.478 nan 8.150 nan 0.000 0.445 6284 E N -0.570 119.618 120.200 -0.021 0.000 2.106 6284 E HA -0.105 4.245 4.350 0.000 0.000 0.192 6284 E C 2.175 178.767 176.600 -0.013 0.000 0.984 6284 E CA 1.104 57.499 56.400 -0.009 0.000 0.806 6284 E CB -0.639 29.069 29.700 0.013 0.000 0.750 6284 E HN 0.591 nan 8.360 nan 0.000 0.458 6285 G N 1.103 109.904 108.800 0.002 0.000 2.403 6285 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 6285 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 6285 G C 1.748 176.625 174.900 -0.039 0.000 1.154 6285 G CA 0.287 45.396 45.100 0.015 0.000 0.784 6285 G HN 0.152 nan 8.290 nan 0.000 0.538 6286 I N -0.173 120.318 120.570 -0.132 0.000 2.202 6286 I HA -0.013 4.157 4.170 0.000 0.000 0.242 6286 I C 1.740 177.796 176.117 -0.102 0.000 1.091 6286 I CA 0.764 61.958 61.300 -0.176 0.000 1.368 6286 I CB -0.281 37.519 38.000 -0.334 0.000 1.058 6286 I HN 0.314 nan 8.210 nan 0.000 0.410 6287 S N -1.118 114.530 115.700 -0.087 0.000 3.443 6287 S HA -0.141 4.329 4.470 0.000 0.000 0.635 6287 S C 0.561 175.131 174.600 -0.049 0.000 2.555 6287 S CA 0.869 59.038 58.200 -0.052 0.000 2.778 6287 S CB -1.386 61.794 63.200 -0.034 0.000 0.331 6287 S HN 1.357 nan 8.310 nan 0.000 1.765 6288 G N 0.782 109.563 108.800 -0.030 0.000 2.547 6288 G HA2 -0.319 3.641 3.960 0.000 0.000 0.271 6288 G HA3 -0.319 3.641 3.960 0.000 0.000 0.271 6288 G C 0.366 175.257 174.900 -0.016 0.000 1.209 6288 G CA 1.068 46.155 45.100 -0.022 0.000 0.959 6288 G HN 1.148 nan 8.290 nan 0.000 0.563 6289 R N 0.572 121.066 120.500 -0.010 0.000 2.127 6289 R HA 0.134 4.475 4.340 0.000 0.000 0.217 6289 R C 2.484 178.786 176.300 0.003 0.000 1.074 6289 R CA 1.510 57.613 56.100 0.005 0.000 0.991 6289 R CB -0.189 30.122 30.300 0.018 0.000 0.895 6289 R HN 0.603 nan 8.270 nan 0.000 0.450 6290 E N 1.265 121.455 120.200 -0.018 0.000 2.204 6290 E HA -0.236 4.114 4.350 0.000 0.000 0.195 6290 E C 1.985 178.550 176.600 -0.057 0.000 0.990 6290 E CA 1.415 57.795 56.400 -0.034 0.000 0.821 6290 E CB -0.093 29.564 29.700 -0.072 0.000 0.750 6290 E HN 0.469 nan 8.360 nan 0.000 0.477 6291 Q N 0.200 119.963 119.800 -0.062 0.000 2.170 6291 Q HA -0.169 4.171 4.340 0.000 0.000 0.203 6291 Q C 1.716 177.696 176.000 -0.033 0.000 0.976 6291 Q CA 1.043 56.805 55.803 -0.069 0.000 0.858 6291 Q CB -0.210 28.496 28.738 -0.054 0.000 0.907 6291 Q HN 0.205 nan 8.270 nan 0.000 0.433 6292 L N 1.072 122.292 121.223 -0.004 0.000 2.109 6292 L HA -0.014 4.326 4.340 0.000 0.000 0.207 6292 L C 2.533 179.432 176.870 0.048 0.000 1.086 6292 L CA 1.867 56.720 54.840 0.022 0.000 0.760 6292 L CB -0.980 41.100 42.059 0.034 0.000 0.910 6292 L HN 0.393 nan 8.230 nan 0.000 0.437 6293 A N -1.324 121.538 122.820 0.069 0.000 1.929 6293 A HA -0.093 4.227 4.320 0.000 0.000 0.216 6293 A C 2.320 179.857 177.584 -0.080 0.000 1.176 6293 A CA 1.546 53.675 52.037 0.153 0.000 0.628 6293 A CB -0.738 18.410 19.000 0.246 0.000 0.816 6293 A HN 0.191 nan 8.150 nan 0.000 0.444 6294 V N 0.002 119.857 119.914 -0.098 0.000 2.427 6294 V HA -0.191 3.929 4.120 0.000 0.000 0.248 6294 V C 2.635 178.699 176.094 -0.050 0.000 1.051 6294 V CA 2.196 64.412 62.300 -0.139 0.000 1.048 6294 V CB -0.781 30.941 31.823 -0.168 0.000 0.666 6294 V HN 0.599 nan 8.190 nan 0.000 0.456 6295 R N 1.203 121.685 120.500 -0.030 0.000 2.081 6295 R HA -0.061 4.279 4.340 0.000 0.000 0.235 6295 R C 2.154 178.452 176.300 -0.003 0.000 1.131 6295 R CA 1.851 57.949 56.100 -0.003 0.000 0.960 6295 R CB -0.921 29.381 30.300 0.002 0.000 0.856 6295 R HN 0.436 nan 8.270 nan 0.000 0.436 6296 A N -0.504 122.313 122.820 -0.005 0.000 1.930 6296 A HA -0.121 4.199 4.320 0.000 0.000 0.217 6296 A C 2.161 179.701 177.584 -0.074 0.000 1.175 6296 A CA 1.335 53.381 52.037 0.015 0.000 0.627 6296 A CB -0.820 18.269 19.000 0.149 0.000 0.815 6296 A HN 0.481 nan 8.150 nan 0.000 0.443 6297 F N 0.881 120.570 119.950 -0.435 0.000 2.075 6297 F HA -0.065 4.462 4.527 0.000 0.000 0.297 6297 F C 2.553 178.237 175.800 -0.194 0.000 1.113 6297 F CA 1.537 59.249 58.000 -0.481 0.000 1.218 6297 F CB -0.348 38.263 39.000 -0.649 0.000 0.984 6297 F HN 0.244 nan 8.300 nan 0.000 0.472 6298 A N -0.160 122.721 122.820 0.102 0.000 1.933 6298 A HA -0.188 4.132 4.320 0.000 0.000 0.218 6298 A C 1.892 179.449 177.584 -0.045 0.000 1.175 6298 A CA 2.006 54.082 52.037 0.064 0.000 0.628 6298 A CB -0.962 18.094 19.000 0.093 0.000 0.814 6298 A HN 0.463 nan 8.150 nan 0.000 0.444 6299 D N -0.053 120.320 120.400 -0.046 0.000 2.149 6299 D HA 0.022 4.662 4.640 0.000 0.000 0.201 6299 D C 2.186 178.440 176.300 -0.078 0.000 0.972 6299 D CA 1.346 55.317 54.000 -0.048 0.000 0.835 6299 D CB -0.366 40.419 40.800 -0.024 0.000 0.966 6299 D HN 0.415 nan 8.370 nan 0.000 0.476 6300 A N 0.475 123.224 122.820 -0.117 0.000 1.969 6300 A HA -0.116 4.204 4.320 0.000 0.000 0.218 6300 A C 2.018 179.496 177.584 -0.177 0.000 1.169 6300 A CA 0.760 52.715 52.037 -0.137 0.000 0.635 6300 A CB -0.528 18.380 19.000 -0.154 0.000 0.810 6300 A HN 0.139 nan 8.150 nan 0.000 0.445 6301 L N 0.276 121.354 121.223 -0.242 0.000 2.191 6301 L HA -0.140 4.200 4.340 0.000 0.000 0.212 6301 L C 1.998 178.794 176.870 -0.124 0.000 1.103 6301 L CA 1.660 56.373 54.840 -0.212 0.000 0.769 6301 L CB -0.756 41.174 42.059 -0.215 0.000 0.908 6301 L HN 0.479 nan 8.230 nan 0.000 0.438 6302 E N -1.383 118.758 120.200 -0.099 0.000 2.515 6302 E HA -0.131 4.219 4.350 0.000 0.000 0.201 6302 E C 2.189 178.751 176.600 -0.064 0.000 1.071 6302 E CA 0.262 56.619 56.400 -0.072 0.000 0.880 6302 E CB -0.064 29.601 29.700 -0.058 0.000 0.828 6302 E HN 0.294 nan 8.360 nan 0.000 0.540 6303 V N 1.044 120.915 119.914 -0.071 0.000 2.594 6303 V HA -0.238 3.882 4.120 0.000 0.000 0.253 6303 V C 1.717 177.779 176.094 -0.053 0.000 1.069 6303 V CA 1.237 63.502 62.300 -0.059 0.000 1.082 6303 V CB -0.173 31.613 31.823 -0.062 0.000 0.680 6303 V HN 0.275 nan 8.190 nan 0.000 0.469 6304 I N 0.356 120.892 120.570 -0.057 0.000 2.162 6304 I HA -0.018 4.152 4.170 0.000 0.000 0.238 6304 I C 0.245 176.335 176.117 -0.045 0.000 1.076 6304 I CA 1.417 62.688 61.300 -0.049 0.000 1.353 6304 I CB -2.839 35.133 38.000 -0.048 0.000 1.063 6304 I HN 0.304 nan 8.210 nan 0.000 0.408 6305 P HA -0.193 nan 4.420 nan 0.000 0.216 6305 P C 1.842 179.119 177.300 -0.038 0.000 1.157 6305 P CA 1.542 64.618 63.100 -0.040 0.000 0.880 6305 P CB -0.218 31.457 31.700 -0.042 0.000 0.791 6306 R N -0.010 120.466 120.500 -0.039 0.000 2.096 6306 R HA -0.140 4.200 4.340 0.000 0.000 0.240 6306 R C 1.921 178.199 176.300 -0.036 0.000 1.139 6306 R CA 2.768 58.846 56.100 -0.036 0.000 0.952 6306 R CB -1.486 28.792 30.300 -0.036 0.000 0.854 6306 R HN 0.283 nan 8.270 nan 0.000 0.436 6307 T N -1.580 112.951 114.554 -0.039 0.000 3.067 6307 T HA 0.020 4.370 4.350 0.000 0.000 0.257 6307 T C 2.005 176.677 174.700 -0.046 0.000 1.105 6307 T CA 0.097 62.173 62.100 -0.040 0.000 1.104 6307 T CB -0.042 68.803 68.868 -0.039 0.000 0.925 6307 T HN 0.025 nan 8.240 nan 0.000 0.498 6308 L N 1.673 122.867 121.223 -0.049 0.000 2.083 6308 L HA 0.229 4.569 4.340 0.000 0.000 0.209 6308 L C 2.926 179.756 176.870 -0.066 0.000 1.083 6308 L CA 1.627 56.430 54.840 -0.061 0.000 0.752 6308 L CB -1.200 40.826 42.059 -0.055 0.000 0.899 6308 L HN 0.455 nan 8.230 nan 0.000 0.433 6309 A N -1.536 121.254 122.820 -0.050 0.000 1.935 6309 A HA -0.117 4.203 4.320 0.000 0.000 0.214 6309 A C 2.230 179.789 177.584 -0.043 0.000 1.178 6309 A CA 1.008 53.017 52.037 -0.046 0.000 0.640 6309 A CB -0.366 18.614 19.000 -0.033 0.000 0.825 6309 A HN 0.341 nan 8.150 nan 0.000 0.447 6310 E N 1.614 121.791 120.200 -0.038 0.000 2.033 6310 E HA -0.258 4.092 4.350 0.000 0.000 0.199 6310 E C 1.682 178.260 176.600 -0.036 0.000 1.011 6310 E CA 2.053 58.433 56.400 -0.034 0.000 0.815 6310 E CB -0.253 29.428 29.700 -0.031 0.000 0.755 6310 E HN 0.768 nan 8.360 nan 0.000 0.451 6311 N N -0.127 118.548 118.700 -0.042 0.000 2.467 6311 N HA 0.014 4.754 4.740 0.000 0.000 0.184 6311 N C 1.077 176.555 175.510 -0.054 0.000 1.106 6311 N CA 1.054 54.078 53.050 -0.044 0.000 0.892 6311 N CB -0.195 38.265 38.487 -0.044 0.000 0.969 6311 N HN 0.189 nan 8.380 nan 0.000 0.454 6312 A N -0.222 122.559 122.820 -0.065 0.000 2.208 6312 A HA 0.480 4.800 4.320 0.000 0.000 0.209 6312 A C 1.626 179.178 177.584 -0.054 0.000 1.161 6312 A CA 0.469 52.459 52.037 -0.078 0.000 0.782 6312 A CB -0.768 18.170 19.000 -0.103 0.000 0.816 6312 A HN 0.615 nan 8.150 nan 0.000 0.477 6313 G N -1.629 107.147 108.800 -0.040 0.000 2.132 6313 G HA2 -0.147 3.813 3.960 0.000 0.000 0.234 6313 G HA3 -0.147 3.813 3.960 0.000 0.000 0.234 6313 G C -0.169 174.717 174.900 -0.023 0.000 0.989 6313 G CA 0.197 45.280 45.100 -0.028 0.000 0.676 6313 G HN 0.278 nan 8.290 nan 0.000 0.522 6314 L N 0.791 121.998 121.223 -0.027 0.000 2.344 6314 L HA 0.516 4.856 4.340 0.000 0.000 0.272 6314 L C 0.285 177.143 176.870 -0.019 0.000 1.035 6314 L CA -0.846 53.981 54.840 -0.021 0.000 0.807 6314 L CB 1.367 43.412 42.059 -0.023 0.000 1.237 6314 L HN 0.211 nan 8.230 nan 0.000 0.442 6315 D N 1.428 121.820 120.400 -0.014 0.000 2.346 6315 D HA 0.112 4.752 4.640 0.000 0.000 0.260 6315 D C 0.830 177.121 176.300 -0.015 0.000 1.252 6315 D CA 0.113 54.106 54.000 -0.013 0.000 0.895 6315 D CB 1.600 42.394 40.800 -0.009 0.000 1.097 6315 D HN 0.642 nan 8.370 nan 0.000 0.489 6316 A N 5.459 128.268 122.820 -0.017 0.000 1.908 6316 A HA -0.193 4.127 4.320 0.000 0.000 0.218 6316 A C 2.139 179.714 177.584 -0.016 0.000 1.181 6316 A CA 0.881 52.906 52.037 -0.019 0.000 0.627 6316 A CB -0.235 18.752 19.000 -0.022 0.000 0.818 6316 A HN 0.710 nan 8.150 nan 0.000 0.445 6317 I N -0.258 120.304 120.570 -0.013 0.000 2.163 6317 I HA -0.200 3.970 4.170 0.000 0.000 0.240 6317 I C 2.475 178.588 176.117 -0.007 0.000 1.081 6317 I CA 1.858 63.151 61.300 -0.010 0.000 1.353 6317 I CB -1.517 36.478 38.000 -0.009 0.000 1.054 6317 I HN 0.572 nan 8.210 nan 0.000 0.407 6318 E N 0.938 121.134 120.200 -0.006 0.000 2.077 6318 E HA -0.207 4.143 4.350 0.000 0.000 0.193 6318 E C 2.313 178.912 176.600 -0.002 0.000 0.989 6318 E CA 1.122 57.520 56.400 -0.003 0.000 0.800 6318 E CB 0.191 29.889 29.700 -0.003 0.000 0.746 6318 E HN 0.238 nan 8.360 nan 0.000 0.452 6319 I N 0.859 121.426 120.570 -0.005 0.000 2.202 6319 I HA -0.234 3.936 4.170 0.000 0.000 0.242 6319 I C 2.398 178.513 176.117 -0.003 0.000 1.091 6319 I CA 0.808 62.106 61.300 -0.003 0.000 1.368 6319 I CB -0.964 37.031 38.000 -0.008 0.000 1.058 6319 I HN 0.244 nan 8.210 nan 0.000 0.410 6320 L N 0.136 121.355 121.223 -0.008 0.000 2.083 6320 L HA -0.146 4.194 4.340 0.000 0.000 0.209 6320 L C 2.574 179.442 176.870 -0.003 0.000 1.083 6320 L CA 1.265 56.099 54.840 -0.010 0.000 0.752 6320 L CB -1.001 41.049 42.059 -0.016 0.000 0.899 6320 L HN -0.001 nan 8.230 nan 0.000 0.433 6321 V N -0.824 119.090 119.914 -0.000 0.000 2.358 6321 V HA -0.272 3.848 4.120 0.000 0.000 0.246 6321 V C 2.422 178.523 176.094 0.011 0.000 1.047 6321 V CA 1.564 63.867 62.300 0.004 0.000 1.035 6321 V CB -0.491 31.334 31.823 0.003 0.000 0.658 6321 V HN 0.427 nan 8.190 nan 0.000 0.452 6322 K N -0.409 119.997 120.400 0.010 0.000 2.097 6322 K HA -0.075 4.245 4.320 0.000 0.000 0.205 6322 K C 2.018 178.632 176.600 0.023 0.000 1.050 6322 K CA 1.113 57.409 56.287 0.015 0.000 0.938 6322 K CB -0.203 32.304 32.500 0.012 0.000 0.718 6322 K HN 0.324 nan 8.250 nan 0.000 0.442 6323 V N 1.153 121.080 119.914 0.022 0.000 2.346 6323 V HA -0.163 3.957 4.120 0.000 0.000 0.244 6323 V C 2.134 178.259 176.094 0.051 0.000 1.037 6323 V CA 1.452 63.772 62.300 0.033 0.000 1.029 6323 V CB -0.387 31.446 31.823 0.017 0.000 0.663 6323 V HN 0.230 nan 8.190 nan 0.000 0.454 6324 R N 0.377 120.895 120.500 0.030 0.000 2.096 6324 R HA -0.104 4.236 4.340 0.000 0.000 0.235 6324 R C 2.410 178.752 176.300 0.071 0.000 1.127 6324 R CA 1.475 57.596 56.100 0.035 0.000 0.968 6324 R CB -0.586 29.718 30.300 0.006 0.000 0.861 6324 R HN 0.530 nan 8.270 nan 0.000 0.440 6325 A N 1.257 124.107 122.820 0.050 0.000 1.898 6325 A HA -0.069 4.251 4.320 0.000 0.000 0.216 6325 A C 2.375 179.992 177.584 0.054 0.000 1.181 6325 A CA 1.537 53.602 52.037 0.047 0.000 0.620 6325 A CB -0.606 18.411 19.000 0.029 0.000 0.819 6325 A HN 0.382 nan 8.150 nan 0.000 0.442 6326 A N -1.184 121.670 122.820 0.057 0.000 1.933 6326 A HA -0.224 4.097 4.320 0.000 0.000 0.218 6326 A C 2.137 179.758 177.584 0.062 0.000 1.175 6326 A CA 1.776 53.843 52.037 0.050 0.000 0.628 6326 A CB -0.913 18.115 19.000 0.047 0.000 0.814 6326 A HN 0.766 nan 8.150 nan 0.000 0.444 6327 H N 0.012 119.085 119.070 0.004 0.000 2.299 6327 H HA -0.047 4.510 4.556 0.000 0.000 0.302 6327 H C 2.330 177.660 175.328 0.004 0.000 1.078 6327 H CA 1.770 57.821 56.048 0.004 0.000 1.323 6327 H CB -0.283 29.482 29.762 0.005 0.000 1.381 6327 H HN 0.390 nan 8.280 nan 0.000 0.498 6328 A N 0.013 122.901 122.820 0.113 0.000 1.940 6328 A HA -0.178 4.142 4.320 0.000 0.000 0.219 6328 A C 2.776 180.346 177.584 -0.023 0.000 1.176 6328 A CA 2.100 54.168 52.037 0.052 0.000 0.631 6328 A CB -0.825 18.225 19.000 0.083 0.000 0.814 6328 A HN 0.518 nan 8.150 nan 0.000 0.446 6329 S N -0.656 115.034 115.700 -0.017 0.000 2.341 6329 S HA -0.067 4.403 4.470 0.000 0.000 0.216 6329 S C 1.860 176.432 174.600 -0.047 0.000 1.034 6329 S CA 0.964 59.150 58.200 -0.023 0.000 0.964 6329 S CB -0.386 62.811 63.200 -0.006 0.000 0.882 6329 S HN 0.639 nan 8.310 nan 0.000 0.469 6330 N N 0.985 119.653 118.700 -0.054 0.000 2.416 6330 N HA 0.214 4.954 4.740 0.000 0.000 0.177 6330 N C 1.043 176.494 175.510 -0.098 0.000 1.036 6330 N CA 0.942 53.957 53.050 -0.058 0.000 0.901 6330 N CB 0.462 38.929 38.487 -0.033 0.000 0.976 6330 N HN 0.595 nan 8.380 nan 0.000 0.444 6331 G N 0.649 109.335 108.800 -0.189 0.000 2.352 6331 G HA2 -0.183 3.777 3.960 0.000 0.000 0.324 6331 G HA3 -0.183 3.777 3.960 0.000 0.000 0.324 6331 G C -0.113 174.548 174.900 -0.399 0.000 1.249 6331 G CA -0.191 44.754 45.100 -0.258 0.000 1.053 6331 G HN 0.242 nan 8.290 nan 0.000 0.492 6332 N N -0.275 118.280 118.700 -0.242 0.000 2.368 6332 N HA 0.095 4.835 4.740 0.000 0.000 0.176 6332 N C 1.616 177.144 175.510 0.030 0.000 1.021 6332 N CA 0.912 53.908 53.050 -0.090 0.000 0.888 6332 N CB 0.108 38.598 38.487 0.005 0.000 0.995 6332 N HN 0.282 nan 8.380 nan 0.000 0.437 6333 K N -0.207 120.190 120.400 -0.005 0.000 2.374 6333 K HA 0.271 4.591 4.320 0.000 0.000 0.196 6333 K C -0.645 175.963 176.600 0.015 0.000 1.023 6333 K CA 0.148 56.444 56.287 0.016 0.000 1.103 6333 K CB 0.544 33.047 32.500 0.005 0.000 0.848 6333 K HN 0.116 nan 8.250 nan 0.000 0.528 6334 C N 1.002 120.303 119.300 0.001 0.000 3.094 6334 C HA 0.816 5.276 4.460 0.000 0.000 0.262 6334 C C 0.352 175.358 174.990 0.027 0.000 1.459 6334 C CA -0.723 58.297 59.018 0.003 0.000 1.570 6334 C CB -1.225 26.500 27.740 -0.024 0.000 2.056 6334 C HN 0.467 nan 8.230 nan 0.000 0.499 6335 A N 0.478 123.337 122.820 0.064 0.000 5.650 6335 A HA 0.952 5.272 4.320 0.000 0.000 0.194 6335 A C 0.233 177.862 177.584 0.075 0.000 0.895 6335 A CA 0.396 52.488 52.037 0.091 0.000 0.804 6335 A CB -0.454 18.653 19.000 0.178 0.000 2.103 6335 A HN 2.019 nan 8.150 nan 0.000 1.022 6336 G N -1.918 106.925 108.800 0.071 0.000 2.888 6336 G HA2 0.250 4.210 3.960 0.000 0.000 0.441 6336 G HA3 0.250 4.210 3.960 0.000 0.000 0.441 6336 G C -0.830 174.090 174.900 0.033 0.000 1.461 6336 G CA -0.068 45.056 45.100 0.041 0.000 0.897 6336 G HN 1.440 nan 8.290 nan 0.000 0.547 6337 L N 0.507 121.742 121.223 0.020 0.000 2.292 6337 L HA 0.496 4.836 4.340 0.000 0.000 0.284 6337 L C 0.578 177.465 176.870 0.027 0.000 1.065 6337 L CA -0.454 54.394 54.840 0.013 0.000 0.806 6337 L CB 1.611 43.665 42.059 -0.010 0.000 1.175 6337 L HN 0.626 nan 8.230 nan 0.000 0.431 6338 N N 1.204 119.927 118.700 0.040 0.000 2.699 6338 N HA 0.211 4.951 4.740 0.000 0.000 0.232 6338 N C 0.843 176.379 175.510 0.042 0.000 1.027 6338 N CA -0.359 52.739 53.050 0.080 0.000 0.920 6338 N CB 0.960 39.509 38.487 0.105 0.000 1.148 6338 N HN 0.446 nan 8.380 nan 0.000 0.509 6339 V N 0.778 120.664 119.914 -0.048 0.000 2.913 6339 V HA -0.034 4.086 4.120 0.000 0.000 0.260 6339 V C 1.440 177.425 176.094 -0.181 0.000 1.098 6339 V CA 1.229 63.437 62.300 -0.153 0.000 1.121 6339 V CB -1.201 30.463 31.823 -0.265 0.000 0.714 6339 V HN 0.409 nan 8.190 nan 0.000 0.487 6340 F N 2.506 122.457 119.950 0.001 0.000 2.206 6340 F HA -0.055 4.472 4.527 0.000 0.000 0.298 6340 F C 2.729 178.530 175.800 0.002 0.000 1.090 6340 F CA 1.865 59.866 58.000 0.002 0.000 1.323 6340 F CB -0.389 38.613 39.000 0.002 0.000 1.028 6340 F HN 0.366 nan 8.300 nan 0.000 0.492 6341 T N -3.769 110.893 114.554 0.179 0.000 3.022 6341 T HA 0.363 4.713 4.350 0.000 0.000 0.250 6341 T C 1.437 176.168 174.700 0.052 0.000 1.060 6341 T CA 0.421 62.578 62.100 0.096 0.000 1.013 6341 T CB 0.270 69.185 68.868 0.078 0.000 0.982 6341 T HN 0.377 nan 8.240 nan 0.000 0.508 6342 G N 1.057 109.879 108.800 0.037 0.000 2.291 6342 G HA2 0.287 4.247 3.960 0.000 0.000 0.271 6342 G HA3 0.287 4.247 3.960 0.000 0.000 0.271 6342 G C 0.035 174.942 174.900 0.012 0.000 1.099 6342 G CA -0.230 44.875 45.100 0.008 0.000 0.919 6342 G HN 1.393 nan 8.290 nan 0.000 0.496 6343 A N -1.506 121.326 122.820 0.020 0.000 2.601 6343 A HA 0.903 5.223 4.320 0.000 0.000 0.291 6343 A C 0.035 177.634 177.584 0.024 0.000 1.075 6343 A CA 0.110 52.159 52.037 0.020 0.000 0.671 6343 A CB 1.397 20.411 19.000 0.023 0.000 1.277 6343 A HN 1.818 nan 8.150 nan 0.000 0.417 6344 V N 1.418 121.345 119.914 0.022 0.000 2.673 6344 V HA 0.451 4.571 4.120 0.000 0.000 0.303 6344 V C -0.041 176.072 176.094 0.032 0.000 1.046 6344 V CA 0.934 63.250 62.300 0.027 0.000 1.126 6344 V CB 0.517 32.356 31.823 0.026 0.000 0.934 6344 V HN 0.908 nan 8.190 nan 0.000 0.487 6345 E N 3.615 123.837 120.200 0.037 0.000 2.350 6345 E HA 0.448 4.798 4.350 0.000 0.000 0.243 6345 E C -1.650 174.972 176.600 0.037 0.000 0.959 6345 E CA -0.716 55.706 56.400 0.037 0.000 0.883 6345 E CB 0.865 30.591 29.700 0.044 0.000 1.820 6345 E HN 0.659 nan 8.360 nan 0.000 0.441 6346 D N 1.401 121.821 120.400 0.033 0.000 2.427 6346 D HA 0.234 4.874 4.640 0.000 0.000 0.226 6346 D C 1.085 177.406 176.300 0.035 0.000 1.076 6346 D CA -0.305 53.714 54.000 0.030 0.000 0.849 6346 D CB 1.022 41.834 40.800 0.019 0.000 1.052 6346 D HN 0.162 nan 8.370 nan 0.000 0.515 6347 M N 0.387 120.013 119.600 0.043 0.000 2.099 6347 M HA -0.123 4.357 4.480 0.000 0.000 0.262 6347 M C 2.285 178.607 176.300 0.036 0.000 1.067 6347 M CA 0.885 56.212 55.300 0.047 0.000 1.124 6347 M CB -0.827 31.803 32.600 0.051 0.000 1.353 6347 M HN 0.502 nan 8.290 nan 0.000 0.410 6348 C N 0.701 120.019 119.300 0.031 0.000 2.429 6348 C HA -0.162 4.298 4.460 0.000 0.000 0.277 6348 C C 2.707 177.706 174.990 0.015 0.000 1.262 6348 C CA 1.346 60.378 59.018 0.022 0.000 1.733 6348 C CB -0.930 26.822 27.740 0.020 0.000 2.010 6348 C HN 0.633 nan 8.230 nan 0.000 0.483 6349 E N 0.131 120.339 120.200 0.014 0.000 2.118 6349 E HA -0.202 4.148 4.350 0.000 0.000 0.195 6349 E C 1.207 177.811 176.600 0.005 0.000 0.992 6349 E CA 1.356 57.761 56.400 0.008 0.000 0.804 6349 E CB -0.144 29.560 29.700 0.008 0.000 0.741 6349 E HN 0.630 nan 8.360 nan 0.000 0.458 6350 N N -0.526 118.180 118.700 0.011 0.000 2.398 6350 N HA 0.040 4.780 4.740 0.000 0.000 0.188 6350 N C 0.593 176.102 175.510 -0.002 0.000 1.122 6350 N CA 0.911 53.963 53.050 0.003 0.000 0.866 6350 N CB 0.944 39.440 38.487 0.015 0.000 0.970 6350 N HN 0.320 nan 8.380 nan 0.000 0.462 6351 G N 0.150 108.953 108.800 0.005 0.000 2.160 6351 G HA2 -0.260 3.700 3.960 0.000 0.000 0.251 6351 G HA3 -0.260 3.700 3.960 0.000 0.000 0.251 6351 G C -0.075 174.835 174.900 0.017 0.000 1.008 6351 G CA 0.150 45.253 45.100 0.005 0.000 0.724 6351 G HN 0.197 nan 8.290 nan 0.000 0.514 6352 V N 1.380 121.314 119.914 0.034 0.000 2.222 6352 V HA 0.482 4.602 4.120 0.000 0.000 0.253 6352 V C 0.789 176.911 176.094 0.047 0.000 1.210 6352 V CA 0.111 62.446 62.300 0.058 0.000 1.079 6352 V CB 0.493 32.369 31.823 0.088 0.000 1.265 6352 V HN 1.022 nan 8.190 nan 0.000 0.494 6353 V N 1.230 121.168 119.914 0.038 0.000 2.876 6353 V HA 0.795 4.915 4.120 0.000 0.000 0.312 6353 V C -0.703 175.409 176.094 0.029 0.000 1.085 6353 V CA -0.820 61.499 62.300 0.031 0.000 0.945 6353 V CB 2.484 34.321 31.823 0.023 0.000 1.017 6353 V HN 0.625 nan 8.190 nan 0.000 0.428 6354 E N 2.860 123.075 120.200 0.025 0.000 2.317 6354 E HA 0.532 4.883 4.350 0.000 0.000 0.270 6354 E C -2.972 173.639 176.600 0.018 0.000 0.885 6354 E CA -2.264 54.149 56.400 0.022 0.000 0.760 6354 E CB 2.743 32.455 29.700 0.021 0.000 1.227 6354 E HN 0.550 nan 8.360 nan 0.000 0.434 6355 P HA -0.098 nan 4.420 nan 0.000 0.266 6355 P C 0.506 177.815 177.300 0.014 0.000 1.193 6355 P CA -0.099 63.010 63.100 0.014 0.000 0.770 6355 P CB 0.529 32.236 31.700 0.013 0.000 0.836 6356 L N 4.068 125.299 121.223 0.014 0.000 2.042 6356 L HA -0.171 4.169 4.340 0.000 0.000 0.210 6356 L C 2.345 179.223 176.870 0.014 0.000 1.076 6356 L CA 1.867 56.715 54.840 0.014 0.000 0.749 6356 L CB -0.840 41.227 42.059 0.013 0.000 0.893 6356 L HN 0.308 nan 8.230 nan 0.000 0.432 6357 R N -0.968 119.540 120.500 0.013 0.000 2.127 6357 R HA -0.150 4.190 4.340 0.000 0.000 0.238 6357 R C 2.045 178.353 176.300 0.014 0.000 1.134 6357 R CA 1.790 57.898 56.100 0.013 0.000 0.975 6357 R CB -0.298 30.009 30.300 0.012 0.000 0.865 6357 R HN 0.395 nan 8.270 nan 0.000 0.447 6358 V N 1.440 121.362 119.914 0.014 0.000 2.255 6358 V HA -0.275 3.846 4.120 0.000 0.000 0.247 6358 V C 2.285 178.387 176.094 0.014 0.000 1.051 6358 V CA 1.875 64.183 62.300 0.013 0.000 1.018 6358 V CB -0.357 31.474 31.823 0.013 0.000 0.641 6358 V HN 0.292 nan 8.190 nan 0.000 0.445 6359 K N -0.391 120.018 120.400 0.015 0.000 2.167 6359 K HA -0.008 4.312 4.320 0.000 0.000 0.203 6359 K C 2.176 178.790 176.600 0.023 0.000 1.052 6359 K CA 1.294 57.590 56.287 0.016 0.000 0.956 6359 K CB -0.657 31.853 32.500 0.015 0.000 0.735 6359 K HN 0.494 nan 8.250 nan 0.000 0.451 6360 T N 1.373 115.941 114.554 0.023 0.000 2.812 6360 T HA -0.133 4.217 4.350 0.000 0.000 0.264 6360 T C 1.912 176.630 174.700 0.031 0.000 1.042 6360 T CA 1.289 63.406 62.100 0.028 0.000 1.140 6360 T CB -0.034 68.848 68.868 0.022 0.000 0.870 6360 T HN 0.121 nan 8.240 nan 0.000 0.445 6361 Q N 1.321 121.136 119.800 0.025 0.000 2.123 6361 Q HA 0.170 4.510 4.340 0.000 0.000 0.199 6361 Q C 2.247 178.264 176.000 0.028 0.000 0.966 6361 Q CA 1.521 57.339 55.803 0.025 0.000 0.845 6361 Q CB -0.669 28.081 28.738 0.019 0.000 0.907 6361 Q HN 0.471 nan 8.270 nan 0.000 0.439 6362 A N 0.525 123.359 122.820 0.024 0.000 1.883 6362 A HA -0.156 4.164 4.320 0.000 0.000 0.217 6362 A C 1.939 179.541 177.584 0.030 0.000 1.186 6362 A CA 1.596 53.645 52.037 0.020 0.000 0.624 6362 A CB -0.681 18.326 19.000 0.011 0.000 0.822 6362 A HN 0.444 nan 8.150 nan 0.000 0.444 6363 I N -0.371 120.225 120.570 0.044 0.000 2.252 6363 I HA -0.178 3.992 4.170 0.000 0.000 0.245 6363 I C 2.661 178.839 176.117 0.101 0.000 1.102 6363 I CA 1.160 62.508 61.300 0.081 0.000 1.385 6363 I CB -1.431 36.631 38.000 0.103 0.000 1.064 6363 I HN 0.361 nan 8.210 nan 0.000 0.414 6364 Q N 0.703 120.548 119.800 0.074 0.000 2.002 6364 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 6364 Q C 2.505 178.546 176.000 0.067 0.000 0.988 6364 Q CA 1.882 57.726 55.803 0.069 0.000 0.843 6364 Q CB -0.550 28.216 28.738 0.047 0.000 0.908 6364 Q HN 0.387 nan 8.270 nan 0.000 0.420 6365 S N 0.822 116.553 115.700 0.051 0.000 2.356 6365 S HA -0.132 4.338 4.470 0.000 0.000 0.223 6365 S C 1.944 176.576 174.600 0.052 0.000 1.032 6365 S CA 1.150 59.377 58.200 0.044 0.000 1.005 6365 S CB -0.276 62.942 63.200 0.031 0.000 0.867 6365 S HN 0.517 nan 8.310 nan 0.000 0.449 6366 A N 1.399 124.252 122.820 0.054 0.000 1.873 6366 A HA 0.165 4.485 4.320 0.000 0.000 0.215 6366 A C 2.332 179.973 177.584 0.095 0.000 1.186 6366 A CA 1.708 53.775 52.037 0.051 0.000 0.616 6366 A CB -1.073 17.940 19.000 0.023 0.000 0.823 6366 A HN 0.515 nan 8.150 nan 0.000 0.442 6367 A N -0.691 122.222 122.820 0.154 0.000 1.898 6367 A HA -0.026 4.294 4.320 0.000 0.000 0.214 6367 A C 1.961 179.675 177.584 0.216 0.000 1.183 6367 A CA 1.913 54.123 52.037 0.288 0.000 0.622 6367 A CB -0.395 18.873 19.000 0.446 0.000 0.824 6367 A HN 0.489 nan 8.150 nan 0.000 0.444 6368 E N 0.068 120.351 120.200 0.139 0.000 2.150 6368 E HA -0.112 4.238 4.350 0.000 0.000 0.193 6368 E C 2.134 178.779 176.600 0.074 0.000 0.985 6368 E CA 1.355 57.813 56.400 0.096 0.000 0.814 6368 E CB -0.328 29.414 29.700 0.069 0.000 0.752 6368 E HN 0.459 nan 8.360 nan 0.000 0.466 6369 S N -1.302 114.439 115.700 0.068 0.000 2.368 6369 S HA -0.131 4.339 4.470 0.000 0.000 0.224 6369 S C 1.898 176.523 174.600 0.041 0.000 1.029 6369 S CA 1.762 59.990 58.200 0.047 0.000 0.988 6369 S CB -0.541 62.682 63.200 0.039 0.000 0.838 6369 S HN 0.421 nan 8.310 nan 0.000 0.462 6370 T N 1.831 116.423 114.554 0.063 0.000 2.674 6370 T HA -0.082 4.268 4.350 0.000 0.000 0.265 6370 T C 1.841 176.543 174.700 0.003 0.000 1.039 6370 T CA 1.401 63.524 62.100 0.039 0.000 1.150 6370 T CB -0.490 68.446 68.868 0.115 0.000 0.864 6370 T HN 0.426 nan 8.240 nan 0.000 0.427 6371 E N 0.797 121.038 120.200 0.068 0.000 2.204 6371 E HA -0.121 4.229 4.350 0.000 0.000 0.195 6371 E C 2.117 178.727 176.600 0.017 0.000 0.990 6371 E CA 0.825 57.253 56.400 0.047 0.000 0.821 6371 E CB -0.236 29.529 29.700 0.108 0.000 0.750 6371 E HN 0.502 nan 8.360 nan 0.000 0.477 6372 M N -0.174 119.441 119.600 0.024 0.000 2.099 6372 M HA -0.176 4.304 4.480 0.000 0.000 0.262 6372 M C 1.877 178.178 176.300 0.001 0.000 1.067 6372 M CA 1.056 56.366 55.300 0.016 0.000 1.124 6372 M CB 0.009 32.623 32.600 0.022 0.000 1.353 6372 M HN 0.097 nan 8.290 nan 0.000 0.410 6373 L N 0.757 121.977 121.223 -0.005 0.000 2.201 6373 L HA -0.102 4.238 4.340 0.000 0.000 0.212 6373 L C 2.148 178.997 176.870 -0.035 0.000 1.105 6373 L CA 1.495 56.327 54.840 -0.013 0.000 0.775 6373 L CB -1.065 40.986 42.059 -0.014 0.000 0.913 6373 L HN 0.388 nan 8.230 nan 0.000 0.440 6374 L N -1.269 119.916 121.223 -0.063 0.000 2.265 6374 L HA -0.189 4.151 4.340 0.000 0.000 0.215 6374 L C 2.500 179.339 176.870 -0.052 0.000 1.117 6374 L CA 0.845 55.630 54.840 -0.091 0.000 0.782 6374 L CB -0.359 41.607 42.059 -0.155 0.000 0.914 6374 L HN 0.233 nan 8.230 nan 0.000 0.441 6375 R N -0.368 120.116 120.500 -0.026 0.000 2.153 6375 R HA 0.013 4.353 4.340 0.000 0.000 0.218 6375 R C 0.182 176.479 176.300 -0.005 0.000 1.072 6375 R CA 0.370 56.466 56.100 -0.007 0.000 0.990 6375 R CB -0.050 30.252 30.300 0.004 0.000 0.889 6375 R HN 0.122 nan 8.270 nan 0.000 0.452 6376 I N 1.424 121.991 120.570 -0.006 0.000 2.396 6376 I HA -0.035 4.135 4.170 0.000 0.000 0.289 6376 I C 0.469 176.586 176.117 -0.001 0.000 1.056 6376 I CA 0.509 61.810 61.300 0.002 0.000 1.365 6376 I CB 1.156 39.162 38.000 0.009 0.000 1.407 6376 I HN -0.102 nan 8.210 nan 0.000 0.509 6377 D N 3.543 123.945 120.400 0.003 0.000 2.535 6377 D HA 0.138 4.778 4.640 0.000 0.000 0.229 6377 D C -0.910 175.399 176.300 0.015 0.000 1.238 6377 D CA 0.144 54.145 54.000 0.003 0.000 0.824 6377 D CB 0.243 41.040 40.800 -0.006 0.000 1.045 6377 D HN 0.446 nan 8.370 nan 0.000 0.500 6378 D N -0.258 120.153 120.400 0.019 0.000 2.931 6378 D HA 0.208 4.848 4.640 0.000 0.000 0.215 6378 D C -1.480 174.831 176.300 0.017 0.000 1.297 6378 D CA -0.438 53.575 54.000 0.021 0.000 0.892 6378 D CB 1.884 42.693 40.800 0.014 0.000 1.642 6378 D HN -0.256 nan 8.370 nan 0.000 0.560 6379 V N 4.982 124.907 119.914 0.019 0.000 2.378 6379 V HA 0.527 4.647 4.120 0.000 0.000 0.288 6379 V C 0.138 176.226 176.094 -0.011 0.000 1.016 6379 V CA -0.547 61.752 62.300 -0.002 0.000 0.840 6379 V CB 1.370 33.185 31.823 -0.013 0.000 0.994 6379 V HN 0.489 nan 8.190 nan 0.000 0.431 6380 I N 4.517 125.077 120.570 -0.018 0.000 2.411 6380 I HA 0.688 4.858 4.170 0.000 0.000 0.284 6380 I C 0.238 176.339 176.117 -0.027 0.000 1.012 6380 I CA -0.462 60.827 61.300 -0.018 0.000 1.119 6380 I CB 1.745 39.738 38.000 -0.011 0.000 1.261 6380 I HN 0.647 nan 8.210 nan 0.000 0.448 6381 A N 5.119 127.920 122.820 -0.032 0.000 2.304 6381 A HA 0.861 5.181 4.320 0.000 0.000 0.323 6381 A C 0.161 177.730 177.584 -0.024 0.000 1.195 6381 A CA -0.484 51.532 52.037 -0.035 0.000 0.826 6381 A CB 1.067 20.038 19.000 -0.049 0.000 1.184 6381 A HN 0.775 nan 8.150 nan 0.000 0.496 6382 A N 2.395 125.202 122.820 -0.020 0.000 2.386 6382 A HA 0.476 4.796 4.320 0.000 0.000 0.248 6382 A C 0.454 178.029 177.584 -0.015 0.000 1.082 6382 A CA -0.195 51.833 52.037 -0.015 0.000 0.789 6382 A CB 0.010 19.002 19.000 -0.012 0.000 1.025 6382 A HN 0.875 nan 8.150 nan 0.000 0.490 6383 E N 0.000 120.193 120.200 -0.012 0.000 2.725 6383 E HA 0.000 4.350 4.350 0.000 0.000 0.291 6383 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 6383 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 6383 E HN 0.000 nan 8.360 nan 0.000 0.440