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 3iyf_1_F DATA FIRST_RESID 7 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.087 176.094 -0.012 0.000 1.182 7 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 7 V CB 0.000 31.818 31.823 -0.009 0.000 1.184 8 L N 3.380 124.594 121.223 -0.015 0.000 2.381 8 L HA 0.722 5.063 4.340 0.001 0.000 0.274 8 L C -2.507 174.353 176.870 -0.016 0.000 0.988 8 L CA -1.598 53.231 54.840 -0.018 0.000 0.824 8 L CB 1.304 43.347 42.059 -0.027 0.000 1.263 8 L HN 0.478 nan 8.230 nan 0.000 0.410 9 P HA 0.122 nan 4.420 nan 0.000 0.276 9 P C -0.056 177.236 177.300 -0.014 0.000 1.243 9 P CA -0.366 62.727 63.100 -0.011 0.000 0.768 9 P CB 0.791 32.486 31.700 -0.009 0.000 0.856 10 E N 4.324 124.516 120.200 -0.013 0.000 3.221 10 E HA -0.376 3.975 4.350 0.001 0.000 0.324 10 E C 0.004 176.595 176.600 -0.014 0.000 1.065 10 E CA 1.547 57.939 56.400 -0.013 0.000 1.079 10 E CB -0.448 29.246 29.700 -0.009 0.000 1.212 10 E HN 0.639 nan 8.360 nan 0.000 0.463 11 N N -1.768 116.924 118.700 -0.014 0.000 2.951 11 N HA -0.238 4.502 4.740 0.001 0.000 0.218 11 N C -0.548 174.949 175.510 -0.022 0.000 0.858 11 N CA 1.528 54.570 53.050 -0.013 0.000 1.050 11 N CB -0.871 37.612 38.487 -0.007 0.000 1.012 11 N HN 0.435 nan 8.380 nan 0.000 0.611 12 M N 1.897 121.478 119.600 -0.032 0.000 2.201 12 M HA 0.214 4.695 4.480 0.001 0.000 0.345 12 M C -0.684 175.568 176.300 -0.080 0.000 1.352 12 M CA 0.584 55.853 55.300 -0.052 0.000 1.218 12 M CB 0.517 33.093 32.600 -0.041 0.000 1.512 12 M HN -0.058 nan 8.290 nan 0.000 0.447 13 K N 2.807 123.128 120.400 -0.131 0.000 2.274 13 K HA 0.572 4.893 4.320 0.001 0.000 0.262 13 K C -0.519 175.853 176.600 -0.380 0.000 0.961 13 K CA -0.670 55.473 56.287 -0.240 0.000 0.833 13 K CB 2.037 34.357 32.500 -0.300 0.000 1.102 13 K HN 0.440 nan 8.250 nan 0.000 0.436 14 R N 3.140 123.399 120.500 -0.401 0.000 2.445 14 R HA 0.370 4.710 4.340 0.001 0.000 0.308 14 R C -1.329 174.747 176.300 -0.373 0.000 0.961 14 R CA -0.364 55.541 56.100 -0.325 0.000 0.862 14 R CB 0.692 30.907 30.300 -0.141 0.000 1.144 14 R HN 0.588 nan 8.270 nan 0.000 0.447 15 Y N 4.079 124.383 120.300 0.007 0.000 2.633 15 Y HA 0.608 5.158 4.550 0.000 0.000 0.339 15 Y C 0.196 176.094 175.900 -0.004 0.000 1.045 15 Y CA -1.258 56.843 58.100 0.002 0.000 1.098 15 Y CB 2.274 40.733 38.460 -0.003 0.000 1.296 15 Y HN 0.498 nan 8.280 nan 0.000 0.494 16 M N -0.519 119.198 119.600 0.194 0.000 2.755 16 M HA 0.611 5.092 4.480 0.001 0.000 0.276 16 M C 0.140 176.479 176.300 0.063 0.000 1.129 16 M CA -0.154 55.204 55.300 0.096 0.000 0.832 16 M CB 1.456 34.102 32.600 0.076 0.000 1.700 16 M HN 0.810 nan 8.290 nan 0.000 0.518 17 G N 1.975 110.799 108.800 0.039 0.000 2.679 17 G HA2 -0.384 3.576 3.960 0.001 0.000 0.373 17 G HA3 -0.384 3.576 3.960 0.001 0.000 0.373 17 G C 0.762 175.667 174.900 0.008 0.000 1.114 17 G CA 1.809 46.923 45.100 0.023 0.000 0.898 17 G HN 1.025 nan 8.290 nan 0.000 0.648 18 R N 0.150 120.654 120.500 0.006 0.000 2.073 18 R HA -0.096 4.244 4.340 0.001 0.000 0.234 18 R C 2.451 178.724 176.300 -0.045 0.000 1.134 18 R CA 2.034 58.124 56.100 -0.015 0.000 0.952 18 R CB -0.482 29.810 30.300 -0.012 0.000 0.850 18 R HN 0.617 nan 8.270 nan 0.000 0.433 19 D N -0.030 120.350 120.400 -0.034 0.000 2.221 19 D HA -0.153 4.488 4.640 0.001 0.000 0.204 19 D C 1.502 177.679 176.300 -0.205 0.000 0.982 19 D CA 1.347 55.264 54.000 -0.138 0.000 0.857 19 D CB -0.089 40.760 40.800 0.081 0.000 0.934 19 D HN 0.376 nan 8.370 nan 0.000 0.475 20 A N 0.813 123.616 122.820 -0.028 0.000 1.844 20 A HA -0.116 4.204 4.320 0.001 0.000 0.212 20 A C 2.161 179.705 177.584 -0.066 0.000 1.221 20 A CA 0.811 52.849 52.037 0.001 0.000 0.607 20 A CB -0.708 18.315 19.000 0.038 0.000 0.878 20 A HN 0.055 nan 8.150 nan 0.000 0.451 21 Q N -0.593 119.177 119.800 -0.051 0.000 2.133 21 Q HA -0.290 4.050 4.340 0.001 0.000 0.208 21 Q C 2.279 178.233 176.000 -0.077 0.000 0.991 21 Q CA 2.343 58.113 55.803 -0.055 0.000 0.867 21 Q CB -0.265 28.447 28.738 -0.042 0.000 0.911 21 Q HN 0.713 nan 8.270 nan 0.000 0.417 22 R N 0.318 120.759 120.500 -0.099 0.000 2.073 22 R HA -0.070 4.271 4.340 0.001 0.000 0.229 22 R C 2.099 178.327 176.300 -0.120 0.000 1.120 22 R CA 1.398 57.437 56.100 -0.102 0.000 0.967 22 R CB -0.156 30.067 30.300 -0.129 0.000 0.862 22 R HN 0.184 nan 8.270 nan 0.000 0.436 23 M N 0.615 120.110 119.600 -0.174 0.000 2.144 23 M HA -0.171 4.309 4.480 0.001 0.000 0.260 23 M C 1.606 177.778 176.300 -0.215 0.000 1.067 23 M CA 2.065 57.246 55.300 -0.199 0.000 1.095 23 M CB -0.443 32.008 32.600 -0.247 0.000 1.365 23 M HN 0.386 nan 8.290 nan 0.000 0.406 24 N N 0.152 118.753 118.700 -0.165 0.000 2.305 24 N HA 0.072 4.813 4.740 0.001 0.000 0.179 24 N C 1.746 177.200 175.510 -0.093 0.000 1.019 24 N CA 0.578 53.539 53.050 -0.150 0.000 0.869 24 N CB 0.184 38.607 38.487 -0.108 0.000 1.000 24 N HN 0.201 nan 8.380 nan 0.000 0.431 25 I N 1.143 121.670 120.570 -0.073 0.000 2.226 25 I HA -0.217 3.954 4.170 0.001 0.000 0.245 25 I C 2.009 178.101 176.117 -0.042 0.000 1.100 25 I CA 0.814 62.085 61.300 -0.049 0.000 1.374 25 I CB 0.060 38.032 38.000 -0.047 0.000 1.057 25 I HN 0.214 nan 8.210 nan 0.000 0.413 26 L N 0.356 121.550 121.223 -0.048 0.000 2.313 26 L HA 0.054 4.394 4.340 0.001 0.000 0.214 26 L C 2.422 179.289 176.870 -0.005 0.000 1.119 26 L CA 1.695 56.520 54.840 -0.026 0.000 0.809 26 L CB -1.133 40.910 42.059 -0.027 0.000 0.933 26 L HN 0.177 nan 8.230 nan 0.000 0.449 27 A N -0.877 121.936 122.820 -0.012 0.000 1.970 27 A HA 0.092 4.412 4.320 0.001 0.000 0.216 27 A C 2.289 179.878 177.584 0.008 0.000 1.170 27 A CA 1.049 53.101 52.037 0.025 0.000 0.645 27 A CB -0.865 18.155 19.000 0.034 0.000 0.816 27 A HN 0.421 nan 8.150 nan 0.000 0.447 28 G N -0.095 108.697 108.800 -0.014 0.000 2.434 28 G HA2 -0.209 3.752 3.960 0.001 0.000 0.214 28 G HA3 -0.209 3.752 3.960 0.001 0.000 0.214 28 G C 1.736 176.626 174.900 -0.017 0.000 1.202 28 G CA 0.841 45.931 45.100 -0.016 0.000 0.788 28 G HN 0.527 nan 8.290 nan 0.000 0.539 29 R N -0.294 120.194 120.500 -0.020 0.000 2.120 29 R HA 0.048 4.389 4.340 0.001 0.000 0.234 29 R C 2.480 178.771 176.300 -0.015 0.000 1.123 29 R CA 0.852 56.939 56.100 -0.022 0.000 0.975 29 R CB -0.340 29.946 30.300 -0.024 0.000 0.866 29 R HN 0.383 nan 8.270 nan 0.000 0.446 30 I N 0.840 121.406 120.570 -0.007 0.000 2.086 30 I HA -0.280 3.890 4.170 0.001 0.000 0.233 30 I C 2.130 178.245 176.117 -0.004 0.000 1.060 30 I CA 1.085 62.384 61.300 -0.002 0.000 1.326 30 I CB -0.304 37.700 38.000 0.008 0.000 1.067 30 I HN 0.062 nan 8.210 nan 0.000 0.398 31 I N 1.133 121.703 120.570 0.001 0.000 2.191 31 I HA -0.409 3.762 4.170 0.001 0.000 0.248 31 I C 2.605 178.716 176.117 -0.010 0.000 1.061 31 I CA 2.166 63.465 61.300 -0.002 0.000 1.329 31 I CB -2.234 35.769 38.000 0.005 0.000 1.024 31 I HN 0.310 nan 8.210 nan 0.000 0.423 32 A N 1.006 123.817 122.820 -0.016 0.000 1.841 32 A HA -0.193 4.128 4.320 0.001 0.000 0.214 32 A C 2.323 179.893 177.584 -0.024 0.000 1.195 32 A CA 1.772 53.794 52.037 -0.024 0.000 0.611 32 A CB -0.837 18.145 19.000 -0.031 0.000 0.835 32 A HN 0.523 nan 8.150 nan 0.000 0.443 33 E N -0.873 119.314 120.200 -0.021 0.000 2.118 33 E HA -0.135 4.215 4.350 0.001 0.000 0.195 33 E C 2.077 178.667 176.600 -0.016 0.000 0.992 33 E CA 1.445 57.834 56.400 -0.020 0.000 0.804 33 E CB -0.311 29.380 29.700 -0.015 0.000 0.741 33 E HN 0.617 nan 8.360 nan 0.000 0.458 34 T N 0.729 115.275 114.554 -0.013 0.000 2.536 34 T HA -0.191 4.159 4.350 0.001 0.000 0.263 34 T C 1.483 176.175 174.700 -0.014 0.000 1.115 34 T CA 1.894 63.987 62.100 -0.011 0.000 1.180 34 T CB -0.196 68.667 68.868 -0.008 0.000 0.864 34 T HN 0.103 nan 8.240 nan 0.000 0.419 35 V N 1.607 121.512 119.914 -0.016 0.000 3.023 35 V HA 0.473 4.594 4.120 0.001 0.000 0.384 35 V C 1.245 177.325 176.094 -0.023 0.000 1.289 35 V CA -0.166 62.123 62.300 -0.018 0.000 1.383 35 V CB -0.628 31.185 31.823 -0.016 0.000 1.388 35 V HN 0.430 nan 8.190 nan 0.000 0.551 36 R N 0.901 121.387 120.500 -0.024 0.000 2.098 36 R HA 0.214 4.555 4.340 0.001 0.000 0.203 36 R C 1.673 177.956 176.300 -0.029 0.000 1.166 36 R CA 1.237 57.320 56.100 -0.028 0.000 1.090 36 R CB -0.363 29.920 30.300 -0.028 0.000 0.992 36 R HN 0.482 nan 8.270 nan 0.000 0.477 37 S N 0.036 115.721 115.700 -0.025 0.000 4.157 37 S HA -0.359 4.112 4.470 0.001 0.000 0.538 37 S C 1.465 176.051 174.600 -0.023 0.000 1.820 37 S CA 2.184 60.371 58.200 -0.022 0.000 4.198 37 S CB -2.370 60.819 63.200 -0.018 0.000 0.638 37 S HN 0.679 nan 8.310 nan 0.000 0.457 38 T N 1.291 115.832 114.554 -0.022 0.000 3.088 38 T HA 0.374 4.724 4.350 0.001 0.000 0.259 38 T C 0.763 175.449 174.700 -0.024 0.000 1.122 38 T CA 0.432 62.520 62.100 -0.020 0.000 1.095 38 T CB -0.238 68.619 68.868 -0.018 0.000 0.930 38 T HN 0.522 nan 8.240 nan 0.000 0.508 39 L N 2.681 123.887 121.223 -0.027 0.000 2.360 39 L HA 0.513 4.854 4.340 0.001 0.000 0.276 39 L C 1.011 177.861 176.870 -0.035 0.000 1.121 39 L CA 1.567 56.389 54.840 -0.030 0.000 0.845 39 L CB -0.554 41.488 42.059 -0.028 0.000 1.143 39 L HN 0.661 nan 8.230 nan 0.000 0.452 40 G N 6.342 115.121 108.800 -0.035 0.000 2.527 40 G HA2 -0.243 3.718 3.960 0.001 0.000 0.227 40 G HA3 -0.243 3.718 3.960 0.001 0.000 0.227 40 G C -1.578 173.297 174.900 -0.042 0.000 1.291 40 G CA -0.121 44.955 45.100 -0.042 0.000 0.904 40 G HN 0.499 nan 8.290 nan 0.000 0.577 41 P HA 0.070 nan 4.420 nan 0.000 0.216 41 P C 1.416 178.686 177.300 -0.050 0.000 1.150 41 P CA 2.042 65.096 63.100 -0.077 0.000 0.843 41 P CB -0.029 31.574 31.700 -0.162 0.000 0.787 42 K N -2.438 117.932 120.400 -0.051 0.000 2.553 42 K HA 0.277 4.598 4.320 0.001 0.000 0.205 42 K C 0.597 177.179 176.600 -0.030 0.000 1.168 42 K CA -0.134 56.127 56.287 -0.042 0.000 1.043 42 K CB 0.789 33.252 32.500 -0.062 0.000 0.967 42 K HN 0.006 nan 8.250 nan 0.000 0.585 43 G N 0.555 109.338 108.800 -0.028 0.000 2.537 43 G HA2 0.432 4.393 3.960 0.001 0.000 0.273 43 G HA3 0.432 4.393 3.960 0.001 0.000 0.273 43 G C -0.424 174.467 174.900 -0.015 0.000 1.189 43 G CA -0.268 44.818 45.100 -0.022 0.000 0.881 43 G HN -0.082 nan 8.290 nan 0.000 0.535 44 M N -0.005 119.587 119.600 -0.013 0.000 2.716 44 M HA 0.337 4.817 4.480 0.001 0.000 0.307 44 M C -0.438 175.856 176.300 -0.009 0.000 1.223 44 M CA -1.004 54.290 55.300 -0.009 0.000 0.871 44 M CB 1.938 34.533 32.600 -0.007 0.000 1.739 44 M HN 0.468 nan 8.290 nan 0.000 0.475 45 D N 1.327 121.723 120.400 -0.006 0.000 2.370 45 D HA 0.213 4.853 4.640 0.001 0.000 0.235 45 D C -0.657 175.640 176.300 -0.004 0.000 1.228 45 D CA 1.090 55.088 54.000 -0.004 0.000 0.884 45 D CB 0.664 41.464 40.800 -0.000 0.000 1.201 45 D HN 0.266 nan 8.370 nan 0.000 0.456 46 K N 0.311 120.709 120.400 -0.002 0.000 2.546 46 K HA 0.403 4.724 4.320 0.001 0.000 0.264 46 K C -1.056 175.545 176.600 0.001 0.000 0.937 46 K CA -0.621 55.665 56.287 -0.002 0.000 0.833 46 K CB 1.999 34.497 32.500 -0.004 0.000 1.378 46 K HN 0.282 nan 8.250 nan 0.000 0.432 47 M N 4.102 123.703 119.600 0.001 0.000 2.131 47 M HA 0.260 4.741 4.480 0.001 0.000 0.345 47 M C -1.150 175.151 176.300 0.002 0.000 1.060 47 M CA -1.068 54.234 55.300 0.003 0.000 1.011 47 M CB 0.461 33.063 32.600 0.003 0.000 1.328 47 M HN 0.409 nan 8.290 nan 0.000 0.396 48 L N 3.973 125.198 121.223 0.003 0.000 2.492 48 L HA 0.285 4.625 4.340 0.001 0.000 0.280 48 L C -0.471 176.401 176.870 0.003 0.000 1.240 48 L CA 0.486 55.327 54.840 0.003 0.000 0.831 48 L CB 0.719 42.779 42.059 0.003 0.000 1.100 48 L HN 0.446 nan 8.230 nan 0.000 0.505 49 V N 0.636 120.551 119.914 0.002 0.000 2.924 49 V HA 0.413 4.533 4.120 0.001 0.000 0.300 49 V C -1.025 175.070 176.094 0.001 0.000 1.227 49 V CA -1.218 61.083 62.300 0.002 0.000 0.954 49 V CB 2.009 33.833 31.823 0.001 0.000 1.055 49 V HN 0.869 nan 8.190 nan 0.000 0.429 50 D N 0.803 121.203 120.400 0.001 0.000 2.450 50 D HA 0.439 5.079 4.640 0.001 0.000 0.238 50 D C 0.538 176.838 176.300 0.000 0.000 1.020 50 D CA -0.587 53.413 54.000 0.000 0.000 1.010 50 D CB 1.524 42.325 40.800 0.001 0.000 1.342 50 D HN 0.363 nan 8.370 nan 0.000 0.530 51 D N 0.445 120.845 120.400 -0.001 0.000 2.158 51 D HA -0.162 4.478 4.640 0.001 0.000 0.197 51 D C 2.087 178.387 176.300 -0.001 0.000 0.995 51 D CA 1.085 55.084 54.000 -0.001 0.000 0.846 51 D CB -0.158 40.641 40.800 -0.002 0.000 0.941 51 D HN 0.425 nan 8.370 nan 0.000 0.456 52 L N 0.163 121.386 121.223 0.000 0.000 2.051 52 L HA -0.148 4.193 4.340 0.001 0.000 0.214 52 L C 1.839 178.709 176.870 0.001 0.000 1.076 52 L CA 1.425 56.265 54.840 0.001 0.000 0.758 52 L CB -0.971 41.089 42.059 0.001 0.000 0.890 52 L HN 0.227 nan 8.230 nan 0.000 0.433 53 G N -0.077 108.724 108.800 0.001 0.000 2.171 53 G HA2 -0.234 3.727 3.960 0.001 0.000 0.238 53 G HA3 -0.234 3.727 3.960 0.001 0.000 0.238 53 G C -0.065 174.837 174.900 0.002 0.000 1.039 53 G CA 0.065 45.165 45.100 0.001 0.000 0.759 53 G HN 0.332 nan 8.290 nan 0.000 0.501 54 D N -0.453 119.949 120.400 0.002 0.000 2.844 54 D HA 0.182 4.823 4.640 0.001 0.000 0.217 54 D C 0.882 177.185 176.300 0.004 0.000 1.121 54 D CA 1.620 55.623 54.000 0.004 0.000 0.829 54 D CB 0.746 41.548 40.800 0.004 0.000 1.194 54 D HN 0.988 nan 8.370 nan 0.000 0.513 55 V N 1.488 121.405 119.914 0.006 0.000 2.409 55 V HA 0.617 4.738 4.120 0.001 0.000 0.290 55 V C -0.249 175.850 176.094 0.009 0.000 1.017 55 V CA -0.905 61.399 62.300 0.007 0.000 0.841 55 V CB 1.631 33.458 31.823 0.006 0.000 1.003 55 V HN 0.291 nan 8.190 nan 0.000 0.426 56 V N 3.639 123.559 119.914 0.010 0.000 2.777 56 V HA 0.710 4.831 4.120 0.001 0.000 0.306 56 V C -0.263 175.838 176.094 0.011 0.000 1.112 56 V CA -0.748 61.560 62.300 0.013 0.000 0.917 56 V CB 1.881 33.710 31.823 0.010 0.000 1.018 56 V HN 1.003 nan 8.190 nan 0.000 0.426 57 V N 1.392 121.315 119.914 0.014 0.000 2.357 57 V HA 1.036 5.156 4.120 0.001 0.000 0.284 57 V C -0.199 175.900 176.094 0.008 0.000 1.018 57 V CA 0.072 62.379 62.300 0.012 0.000 0.841 57 V CB 1.113 32.946 31.823 0.017 0.000 0.991 57 V HN 1.255 nan 8.190 nan 0.000 0.437 58 T N 1.350 115.905 114.554 0.002 0.000 3.291 58 T HA 0.300 4.651 4.350 0.001 0.000 0.344 58 T C 0.459 175.155 174.700 -0.008 0.000 1.293 58 T CA -0.047 62.050 62.100 -0.004 0.000 1.108 58 T CB 1.323 70.189 68.868 -0.003 0.000 1.231 58 T HN 0.955 nan 8.240 nan 0.000 0.474 59 N N 2.290 120.983 118.700 -0.013 0.000 2.003 59 N HA -0.195 4.545 4.740 0.001 0.000 0.198 59 N C 0.224 175.725 175.510 -0.015 0.000 1.073 59 N CA 1.785 54.826 53.050 -0.015 0.000 0.875 59 N CB -1.198 37.281 38.487 -0.015 0.000 1.074 59 N HN 0.830 nan 8.380 nan 0.000 0.435 60 D N -0.649 119.741 120.400 -0.017 0.000 3.988 60 D HA -0.032 4.608 4.640 0.001 0.000 0.201 60 D C 1.155 177.448 176.300 -0.012 0.000 1.147 60 D CA 1.076 55.066 54.000 -0.016 0.000 0.749 60 D CB -0.130 40.660 40.800 -0.017 0.000 1.190 60 D HN 0.547 nan 8.370 nan 0.000 0.621 61 G N 2.568 111.361 108.800 -0.013 0.000 2.464 61 G HA2 -0.134 3.827 3.960 0.001 0.000 0.217 61 G HA3 -0.134 3.827 3.960 0.001 0.000 0.217 61 G C 1.543 176.438 174.900 -0.008 0.000 1.138 61 G CA 0.490 45.583 45.100 -0.011 0.000 0.793 61 G HN 0.499 nan 8.290 nan 0.000 0.539 62 V N 1.203 121.113 119.914 -0.007 0.000 2.221 62 V HA -0.260 3.861 4.120 0.001 0.000 0.244 62 V C 2.718 178.810 176.094 -0.003 0.000 1.043 62 V CA 3.409 65.706 62.300 -0.005 0.000 0.996 62 V CB -1.129 30.691 31.823 -0.004 0.000 0.636 62 V HN 0.369 nan 8.190 nan 0.000 0.454 63 T N 0.812 115.364 114.554 -0.003 0.000 2.594 63 T HA -0.323 4.028 4.350 0.001 0.000 0.266 63 T C 1.743 176.442 174.700 -0.001 0.000 1.070 63 T CA 2.810 64.909 62.100 -0.002 0.000 1.166 63 T CB -0.637 68.230 68.868 -0.001 0.000 0.862 63 T HN 0.532 nan 8.240 nan 0.000 0.436 64 I N 0.283 120.852 120.570 -0.002 0.000 2.182 64 I HA -0.271 3.900 4.170 0.001 0.000 0.248 64 I C 2.005 178.121 176.117 -0.001 0.000 1.073 64 I CA 1.627 62.925 61.300 -0.003 0.000 1.335 64 I CB -0.272 37.725 38.000 -0.005 0.000 1.031 64 I HN 0.285 nan 8.210 nan 0.000 0.420 65 L N -0.467 120.755 121.223 -0.001 0.000 2.463 65 L HA 0.007 4.348 4.340 0.001 0.000 0.219 65 L C 2.572 179.443 176.870 0.003 0.000 1.088 65 L CA 0.071 54.912 54.840 0.001 0.000 0.849 65 L CB -0.540 41.519 42.059 0.001 0.000 1.012 65 L HN 0.216 nan 8.230 nan 0.000 0.468 66 R N 1.092 121.593 120.500 0.002 0.000 2.073 66 R HA -0.163 4.177 4.340 0.001 0.000 0.234 66 R C 1.610 177.912 176.300 0.002 0.000 1.134 66 R CA 1.657 57.759 56.100 0.002 0.000 0.952 66 R CB -0.287 30.014 30.300 0.002 0.000 0.850 66 R HN 0.287 nan 8.270 nan 0.000 0.433 67 E N 0.896 121.097 120.200 0.002 0.000 2.058 67 E HA -0.148 4.202 4.350 0.001 0.000 0.194 67 E C 0.962 177.563 176.600 0.001 0.000 0.997 67 E CA 0.661 57.062 56.400 0.002 0.000 0.801 67 E CB -0.400 29.301 29.700 0.002 0.000 0.746 67 E HN 0.219 nan 8.360 nan 0.000 0.450 68 M N 2.125 121.726 119.600 0.001 0.000 3.324 68 M HA -0.051 4.430 4.480 0.001 0.000 0.233 68 M C 0.027 176.327 176.300 0.000 0.000 1.662 68 M CA -0.478 54.822 55.300 0.000 0.000 1.709 68 M CB -1.622 30.978 32.600 0.001 0.000 1.349 68 M HN -0.058 nan 8.290 nan 0.000 0.514 69 S N 2.065 117.765 115.700 -0.001 0.000 3.758 69 S HA -0.071 4.400 4.470 0.001 0.000 0.202 69 S C 0.018 174.615 174.600 -0.005 0.000 0.376 69 S CA -0.360 57.838 58.200 -0.003 0.000 1.497 69 S CB -0.824 62.373 63.200 -0.005 0.000 1.334 69 S HN 0.393 nan 8.310 nan 0.000 0.326 70 V N 6.207 126.120 119.914 -0.001 0.000 2.493 70 V HA 0.042 4.163 4.120 0.001 0.000 0.292 70 V C 1.645 177.733 176.094 -0.012 0.000 1.016 70 V CA 0.554 62.855 62.300 0.002 0.000 1.097 70 V CB -0.221 31.610 31.823 0.014 0.000 0.947 70 V HN 0.966 nan 8.190 nan 0.000 0.479 71 E N 4.543 124.725 120.200 -0.029 0.000 1.999 71 E HA -0.123 4.227 4.350 0.001 0.000 0.198 71 E C 0.042 176.573 176.600 -0.115 0.000 0.960 71 E CA 0.161 56.508 56.400 -0.089 0.000 0.870 71 E CB -0.333 29.273 29.700 -0.156 0.000 0.827 71 E HN 0.790 nan 8.360 nan 0.000 0.511 72 H N 1.992 121.071 119.070 0.015 0.000 2.309 72 H HA -0.096 4.460 4.556 0.001 0.000 0.291 72 H C -2.095 173.242 175.328 0.015 0.000 0.807 72 H CA -0.140 55.917 56.048 0.015 0.000 0.956 72 H CB -0.798 28.972 29.762 0.014 0.000 1.545 72 H HN 0.325 nan 8.280 nan 0.000 0.284 73 P HA -0.206 nan 4.420 nan 0.000 0.217 73 P C 1.604 178.960 177.300 0.093 0.000 1.151 73 P CA 1.776 64.964 63.100 0.147 0.000 0.828 73 P CB 0.143 31.922 31.700 0.131 0.000 0.788 74 A N 1.039 123.903 122.820 0.073 0.000 1.901 74 A HA -0.372 3.948 4.320 0.001 0.000 0.227 74 A C 2.338 179.941 177.584 0.031 0.000 1.551 74 A CA 3.321 55.365 52.037 0.011 0.000 0.769 74 A CB -1.885 17.052 19.000 -0.106 0.000 0.845 74 A HN 0.216 nan 8.150 nan 0.000 0.481 75 A N -1.024 121.837 122.820 0.069 0.000 2.038 75 A HA -0.345 3.975 4.320 0.001 0.000 0.224 75 A C 1.990 179.604 177.584 0.051 0.000 1.190 75 A CA 2.773 54.853 52.037 0.072 0.000 0.668 75 A CB -0.638 18.433 19.000 0.119 0.000 0.820 75 A HN 0.727 nan 8.150 nan 0.000 0.474 76 K N -1.054 119.378 120.400 0.053 0.000 2.211 76 K HA 0.112 4.432 4.320 0.001 0.000 0.201 76 K C 1.633 178.249 176.600 0.027 0.000 1.052 76 K CA 1.143 57.453 56.287 0.038 0.000 0.973 76 K CB -0.175 32.349 32.500 0.039 0.000 0.766 76 K HN 0.671 nan 8.250 nan 0.000 0.466 77 M N 0.202 119.817 119.600 0.025 0.000 2.706 77 M HA 0.012 4.493 4.480 0.001 0.000 0.251 77 M C 1.361 177.670 176.300 0.014 0.000 1.070 77 M CA 1.270 56.580 55.300 0.018 0.000 1.073 77 M CB -0.150 32.460 32.600 0.017 0.000 1.449 77 M HN -0.005 nan 8.290 nan 0.000 0.531 78 L N -0.841 120.390 121.223 0.014 0.000 2.672 78 L HA 0.260 4.600 4.340 0.001 0.000 0.236 78 L C 1.914 178.787 176.870 0.006 0.000 1.092 78 L CA 0.031 54.876 54.840 0.008 0.000 0.887 78 L CB 0.212 42.275 42.059 0.006 0.000 1.168 78 L HN 0.281 nan 8.230 nan 0.000 0.502 79 I N 0.083 120.658 120.570 0.008 0.000 2.353 79 I HA -0.212 3.959 4.170 0.001 0.000 0.248 79 I C 1.987 178.107 176.117 0.005 0.000 1.119 79 I CA 1.527 62.831 61.300 0.006 0.000 1.417 79 I CB -0.033 37.972 38.000 0.008 0.000 1.078 79 I HN 0.244 nan 8.210 nan 0.000 0.421 80 E N 0.016 120.220 120.200 0.008 0.000 2.236 80 E HA -0.268 4.082 4.350 0.001 0.000 0.205 80 E C 2.012 178.615 176.600 0.006 0.000 1.028 80 E CA 1.989 58.393 56.400 0.007 0.000 0.827 80 E CB -0.439 29.267 29.700 0.009 0.000 0.735 80 E HN 0.546 nan 8.360 nan 0.000 0.470 81 V N -0.456 119.461 119.914 0.004 0.000 2.825 81 V HA 0.101 4.222 4.120 0.001 0.000 0.246 81 V C 1.890 177.983 176.094 -0.000 0.000 1.068 81 V CA 1.256 63.558 62.300 0.003 0.000 1.088 81 V CB 0.007 31.832 31.823 0.004 0.000 0.733 81 V HN 0.295 nan 8.190 nan 0.000 0.468 82 A N -0.590 122.228 122.820 -0.002 0.000 2.348 82 A HA 0.195 4.515 4.320 0.001 0.000 0.224 82 A C 2.061 179.643 177.584 -0.002 0.000 1.227 82 A CA 0.278 52.313 52.037 -0.004 0.000 0.885 82 A CB -0.125 18.871 19.000 -0.007 0.000 0.933 82 A HN 0.363 nan 8.150 nan 0.000 0.506 83 K N -0.247 120.153 120.400 0.000 0.000 2.243 83 K HA -0.038 4.283 4.320 0.001 0.000 0.201 83 K C 0.981 177.582 176.600 0.001 0.000 1.051 83 K CA 1.443 57.730 56.287 0.001 0.000 0.970 83 K CB 0.042 32.543 32.500 0.002 0.000 0.755 83 K HN 0.350 nan 8.250 nan 0.000 0.465 84 T N 0.909 115.464 114.554 0.002 0.000 3.113 84 T HA 0.005 4.356 4.350 0.001 0.000 0.256 84 T C 1.408 176.109 174.700 0.001 0.000 1.131 84 T CA 0.403 62.505 62.100 0.002 0.000 1.074 84 T CB 0.244 69.114 68.868 0.004 0.000 0.944 84 T HN 0.114 nan 8.240 nan 0.000 0.516 85 Q N 0.604 120.404 119.800 -0.000 0.000 2.339 85 Q HA 0.150 4.490 4.340 0.001 0.000 0.205 85 Q C 2.220 178.218 176.000 -0.003 0.000 0.925 85 Q CA 0.563 56.365 55.803 -0.002 0.000 0.898 85 Q CB 0.033 28.769 28.738 -0.003 0.000 1.013 85 Q HN 0.457 nan 8.270 nan 0.000 0.504 86 E N 1.024 121.222 120.200 -0.003 0.000 2.006 86 E HA -0.152 4.198 4.350 0.001 0.000 0.192 86 E C 1.482 178.080 176.600 -0.003 0.000 0.993 86 E CA 1.051 57.449 56.400 -0.004 0.000 0.808 86 E CB 0.184 29.881 29.700 -0.005 0.000 0.764 86 E HN 0.147 nan 8.360 nan 0.000 0.449 87 K N 0.373 120.772 120.400 -0.002 0.000 2.286 87 K HA -0.170 4.151 4.320 0.001 0.000 0.203 87 K C 2.000 178.599 176.600 -0.001 0.000 1.045 87 K CA 1.535 57.821 56.287 -0.001 0.000 0.935 87 K CB 0.065 32.565 32.500 0.000 0.000 0.737 87 K HN 0.260 nan 8.250 nan 0.000 0.460 88 E N -0.454 119.745 120.200 -0.001 0.000 2.023 88 E HA -0.079 4.271 4.350 0.001 0.000 0.195 88 E C 1.842 178.440 176.600 -0.002 0.000 0.964 88 E CA 0.825 57.225 56.400 -0.001 0.000 0.845 88 E CB -0.210 29.490 29.700 0.000 0.000 0.813 88 E HN 0.000 nan 8.360 nan 0.000 0.476 89 V N -0.978 118.935 119.914 -0.002 0.000 3.085 89 V HA 0.202 4.322 4.120 0.001 0.000 0.245 89 V C 1.111 177.202 176.094 -0.004 0.000 1.114 89 V CA 1.565 63.863 62.300 -0.003 0.000 1.108 89 V CB 0.652 32.473 31.823 -0.003 0.000 0.798 89 V HN 0.678 nan 8.190 nan 0.000 0.471 90 G N -0.325 108.472 108.800 -0.005 0.000 2.981 90 G HA2 -0.160 3.800 3.960 0.001 0.000 0.199 90 G HA3 -0.160 3.800 3.960 0.001 0.000 0.199 90 G C -0.147 174.748 174.900 -0.008 0.000 1.586 90 G CA 0.041 45.137 45.100 -0.006 0.000 1.162 90 G HN 0.416 nan 8.290 nan 0.000 0.538 91 D N 2.166 122.561 120.400 -0.008 0.000 2.425 91 D HA 0.461 5.101 4.640 0.001 0.000 0.247 91 D C 1.236 177.530 176.300 -0.010 0.000 1.147 91 D CA 1.909 55.903 54.000 -0.009 0.000 0.879 91 D CB 0.760 41.555 40.800 -0.008 0.000 1.179 91 D HN 1.629 nan 8.370 nan 0.000 0.456 92 G N 2.101 110.893 108.800 -0.013 0.000 2.130 92 G HA2 -0.325 3.636 3.960 0.001 0.000 0.216 92 G HA3 -0.325 3.636 3.960 0.001 0.000 0.216 92 G C 1.200 176.092 174.900 -0.014 0.000 0.999 92 G CA 0.697 45.789 45.100 -0.014 0.000 0.686 92 G HN 0.558 nan 8.290 nan 0.000 0.515 93 T N -1.322 113.224 114.554 -0.013 0.000 2.580 93 T HA -0.239 4.112 4.350 0.001 0.000 0.265 93 T C 2.491 177.180 174.700 -0.017 0.000 1.063 93 T CA 2.975 65.067 62.100 -0.013 0.000 1.170 93 T CB -1.329 67.531 68.868 -0.012 0.000 0.863 93 T HN 0.892 nan 8.240 nan 0.000 0.418 94 T N 1.232 115.774 114.554 -0.020 0.000 2.778 94 T HA -0.140 4.211 4.350 0.001 0.000 0.269 94 T C 2.108 176.790 174.700 -0.030 0.000 1.050 94 T CA 1.787 63.873 62.100 -0.024 0.000 1.137 94 T CB -1.219 67.634 68.868 -0.025 0.000 0.860 94 T HN 0.552 nan 8.240 nan 0.000 0.468 95 T N 2.271 116.808 114.554 -0.029 0.000 2.612 95 T HA 0.092 4.443 4.350 0.001 0.000 0.259 95 T C 2.551 177.228 174.700 -0.037 0.000 1.065 95 T CA 1.122 63.202 62.100 -0.033 0.000 1.167 95 T CB -0.996 67.855 68.868 -0.028 0.000 0.863 95 T HN 0.467 nan 8.240 nan 0.000 0.407 96 A N 0.977 123.781 122.820 -0.026 0.000 1.944 96 A HA -0.208 4.112 4.320 0.001 0.000 0.222 96 A C 2.488 180.051 177.584 -0.035 0.000 1.237 96 A CA 2.617 54.639 52.037 -0.024 0.000 0.668 96 A CB -1.267 17.725 19.000 -0.013 0.000 0.830 96 A HN 0.421 nan 8.150 nan 0.000 0.471 97 V N -1.339 118.555 119.914 -0.033 0.000 3.125 97 V HA -0.057 4.064 4.120 0.001 0.000 0.249 97 V C 2.348 178.416 176.094 -0.043 0.000 1.113 97 V CA 1.089 63.370 62.300 -0.032 0.000 1.106 97 V CB -0.228 31.582 31.823 -0.022 0.000 0.768 97 V HN 0.357 nan 8.190 nan 0.000 0.468 98 V N 1.324 121.209 119.914 -0.048 0.000 2.229 98 V HA -0.203 3.918 4.120 0.001 0.000 0.243 98 V C 2.721 178.767 176.094 -0.079 0.000 1.042 98 V CA 2.018 64.284 62.300 -0.056 0.000 1.000 98 V CB -0.953 30.838 31.823 -0.053 0.000 0.637 98 V HN 0.489 nan 8.190 nan 0.000 0.446 99 V N 0.504 120.359 119.914 -0.098 0.000 2.592 99 V HA -0.332 3.789 4.120 0.001 0.000 0.262 99 V C 2.334 178.321 176.094 -0.178 0.000 1.108 99 V CA 2.464 64.675 62.300 -0.147 0.000 1.121 99 V CB -1.406 30.320 31.823 -0.161 0.000 0.689 99 V HN 0.454 nan 8.190 nan 0.000 0.479 100 A N 0.779 123.528 122.820 -0.119 0.000 1.872 100 A HA 0.194 4.514 4.320 0.001 0.000 0.214 100 A C 2.415 179.948 177.584 -0.085 0.000 1.187 100 A CA 1.728 53.707 52.037 -0.097 0.000 0.614 100 A CB -1.434 17.533 19.000 -0.054 0.000 0.826 100 A HN 0.759 nan 8.150 nan 0.000 0.442 101 G N -0.482 108.276 108.800 -0.070 0.000 2.404 101 G HA2 -0.144 3.816 3.960 0.001 0.000 0.214 101 G HA3 -0.144 3.816 3.960 0.001 0.000 0.214 101 G C 1.345 176.201 174.900 -0.073 0.000 1.189 101 G CA 1.251 46.316 45.100 -0.058 0.000 0.789 101 G HN 0.518 nan 8.290 nan 0.000 0.533 102 E N 0.229 120.375 120.200 -0.090 0.000 2.054 102 E HA -0.250 4.101 4.350 0.001 0.000 0.225 102 E C 2.327 178.853 176.600 -0.124 0.000 1.048 102 E CA 1.402 57.739 56.400 -0.105 0.000 0.899 102 E CB -0.854 28.772 29.700 -0.123 0.000 0.801 102 E HN 0.132 nan 8.360 nan 0.000 0.495 103 L N 0.003 121.109 121.223 -0.195 0.000 2.186 103 L HA -0.279 4.062 4.340 0.001 0.000 0.221 103 L C 2.372 179.171 176.870 -0.119 0.000 1.087 103 L CA 1.877 56.565 54.840 -0.253 0.000 0.794 103 L CB -0.599 41.194 42.059 -0.443 0.000 0.893 103 L HN 0.358 nan 8.230 nan 0.000 0.442 104 L N -1.382 119.796 121.223 -0.073 0.000 2.083 104 L HA -0.221 4.119 4.340 0.001 0.000 0.209 104 L C 2.721 179.584 176.870 -0.012 0.000 1.083 104 L CA 1.677 56.503 54.840 -0.023 0.000 0.752 104 L CB -0.522 41.519 42.059 -0.029 0.000 0.899 104 L HN 0.377 nan 8.230 nan 0.000 0.433 105 R N 0.202 120.683 120.500 -0.031 0.000 2.075 105 R HA -0.116 4.225 4.340 0.001 0.000 0.226 105 R C 2.189 178.482 176.300 -0.012 0.000 1.114 105 R CA 0.870 56.955 56.100 -0.024 0.000 0.972 105 R CB 0.011 30.290 30.300 -0.036 0.000 0.869 105 R HN 0.127 nan 8.270 nan 0.000 0.437 106 K N 0.564 120.954 120.400 -0.018 0.000 2.147 106 K HA -0.074 4.247 4.320 0.001 0.000 0.205 106 K C 1.884 178.517 176.600 0.055 0.000 1.049 106 K CA 1.427 57.717 56.287 0.006 0.000 0.936 106 K CB -0.135 32.350 32.500 -0.025 0.000 0.722 106 K HN 0.329 nan 8.250 nan 0.000 0.446 107 A N 0.764 123.628 122.820 0.073 0.000 2.021 107 A HA -0.077 4.243 4.320 0.001 0.000 0.216 107 A C 2.044 179.661 177.584 0.055 0.000 1.163 107 A CA 0.756 52.873 52.037 0.134 0.000 0.676 107 A CB -0.168 18.950 19.000 0.196 0.000 0.818 107 A HN 0.320 nan 8.150 nan 0.000 0.453 108 E N 0.237 120.453 120.200 0.027 0.000 2.085 108 E HA -0.236 4.114 4.350 0.001 0.000 0.194 108 E C 1.774 178.377 176.600 0.005 0.000 0.994 108 E CA 1.387 57.790 56.400 0.005 0.000 0.801 108 E CB -0.122 29.575 29.700 -0.006 0.000 0.743 108 E HN 0.718 nan 8.360 nan 0.000 0.453 109 E N -0.054 120.153 120.200 0.013 0.000 2.171 109 E HA -0.222 4.128 4.350 0.001 0.000 0.197 109 E C 2.103 178.713 176.600 0.018 0.000 0.997 109 E CA 1.051 57.460 56.400 0.015 0.000 0.810 109 E CB 0.032 29.745 29.700 0.022 0.000 0.738 109 E HN 0.345 nan 8.360 nan 0.000 0.467 110 L N -0.298 120.939 121.223 0.024 0.000 2.187 110 L HA -0.045 4.296 4.340 0.001 0.000 0.197 110 L C 2.408 179.277 176.870 -0.000 0.000 1.090 110 L CA 0.327 55.178 54.840 0.018 0.000 0.781 110 L CB -0.821 41.257 42.059 0.032 0.000 0.956 110 L HN 0.119 nan 8.230 nan 0.000 0.463 111 L N -0.605 120.611 121.223 -0.011 0.000 2.255 111 L HA -0.395 3.945 4.340 0.001 0.000 0.236 111 L C 1.665 178.525 176.870 -0.018 0.000 1.129 111 L CA 2.288 57.112 54.840 -0.026 0.000 0.853 111 L CB -1.448 40.579 42.059 -0.053 0.000 0.942 111 L HN 0.300 nan 8.230 nan 0.000 0.451 112 D N -1.194 119.201 120.400 -0.008 0.000 2.355 112 D HA -0.067 4.573 4.640 0.001 0.000 0.218 112 D C 1.695 177.996 176.300 0.001 0.000 1.004 112 D CA 0.629 54.627 54.000 -0.004 0.000 0.880 112 D CB -0.028 40.768 40.800 -0.006 0.000 0.911 112 D HN 0.458 nan 8.370 nan 0.000 0.528 113 Q N 1.078 120.880 119.800 0.003 0.000 2.286 113 Q HA 0.047 4.388 4.340 0.001 0.000 0.281 113 Q C 0.235 176.240 176.000 0.009 0.000 0.897 113 Q CA -0.219 55.588 55.803 0.007 0.000 1.023 113 Q CB -1.228 27.515 28.738 0.007 0.000 1.151 113 Q HN 0.169 nan 8.270 nan 0.000 0.445 114 N N -0.645 118.061 118.700 0.011 0.000 2.178 114 N HA -0.283 4.458 4.740 0.001 0.000 0.229 114 N C 0.313 175.840 175.510 0.029 0.000 1.390 114 N CA 0.675 53.737 53.050 0.020 0.000 0.820 114 N CB -0.553 37.952 38.487 0.030 0.000 1.303 114 N HN 0.340 nan 8.380 nan 0.000 0.628 115 V N 1.413 121.336 119.914 0.015 0.000 3.141 115 V HA -0.271 3.849 4.120 0.001 0.000 0.280 115 V C 0.438 176.544 176.094 0.021 0.000 1.388 115 V CA 0.577 62.883 62.300 0.009 0.000 1.417 115 V CB -0.298 31.530 31.823 0.008 0.000 0.805 115 V HN 0.345 nan 8.190 nan 0.000 0.434 116 H N 9.675 128.729 119.070 -0.027 0.000 3.267 116 H HA 0.053 4.609 4.556 0.001 0.000 0.239 116 H C -1.170 174.133 175.328 -0.041 0.000 0.836 116 H CA -0.067 55.964 56.048 -0.029 0.000 1.388 116 H CB 0.669 30.419 29.762 -0.020 0.000 1.505 116 H HN 0.676 nan 8.280 nan 0.000 0.510 117 P HA -0.264 nan 4.420 nan 0.000 0.219 117 P C 1.244 178.459 177.300 -0.142 0.000 1.147 117 P CA 1.896 64.805 63.100 -0.319 0.000 0.821 117 P CB 0.025 31.398 31.700 -0.545 0.000 0.771 118 T N -3.274 111.283 114.554 0.005 0.000 2.977 118 T HA -0.082 4.269 4.350 0.001 0.000 0.271 118 T C 1.682 176.377 174.700 -0.009 0.000 1.105 118 T CA 0.605 62.738 62.100 0.055 0.000 1.116 118 T CB -0.375 68.583 68.868 0.150 0.000 0.878 118 T HN 0.023 nan 8.240 nan 0.000 0.509 119 I N 1.061 121.607 120.570 -0.039 0.000 2.685 119 I HA 0.065 4.236 4.170 0.001 0.000 0.251 119 I C 2.699 178.717 176.117 -0.165 0.000 1.102 119 I CA 0.469 61.729 61.300 -0.067 0.000 1.442 119 I CB -0.829 37.145 38.000 -0.044 0.000 1.194 119 I HN 0.210 nan 8.210 nan 0.000 0.448 120 V N 1.769 121.541 119.914 -0.236 0.000 2.380 120 V HA -0.207 3.914 4.120 0.001 0.000 0.251 120 V C 2.331 177.995 176.094 -0.718 0.000 1.063 120 V CA 2.720 64.705 62.300 -0.524 0.000 1.055 120 V CB -0.680 30.923 31.823 -0.367 0.000 0.657 120 V HN 0.265 nan 8.190 nan 0.000 0.455 121 V N -2.330 117.383 119.914 -0.336 0.000 2.725 121 V HA 0.083 4.203 4.120 0.001 0.000 0.247 121 V C 2.515 178.544 176.094 -0.108 0.000 1.058 121 V CA 1.737 63.926 62.300 -0.186 0.000 1.080 121 V CB -1.108 30.669 31.823 -0.076 0.000 0.713 121 V HN 0.468 nan 8.190 nan 0.000 0.465 122 K N 0.970 121.309 120.400 -0.101 0.000 2.555 122 K HA 0.144 4.465 4.320 0.001 0.000 0.193 122 K C 1.818 178.402 176.600 -0.027 0.000 1.032 122 K CA 0.780 57.039 56.287 -0.047 0.000 1.004 122 K CB -0.088 32.391 32.500 -0.036 0.000 0.804 122 K HN 0.668 nan 8.250 nan 0.000 0.496 123 G N -0.677 108.075 108.800 -0.080 0.000 2.641 123 G HA2 -0.112 3.849 3.960 0.001 0.000 0.207 123 G HA3 -0.112 3.849 3.960 0.001 0.000 0.207 123 G C 0.858 175.900 174.900 0.236 0.000 1.137 123 G CA -0.081 45.047 45.100 0.047 0.000 0.824 123 G HN 0.169 nan 8.290 nan 0.000 0.547 124 Y N 2.019 122.318 120.300 -0.003 0.000 2.561 124 Y HA 0.006 4.556 4.550 0.001 0.000 0.291 124 Y C 2.928 178.725 175.900 -0.171 0.000 1.141 124 Y CA 0.454 58.517 58.100 -0.062 0.000 1.303 124 Y CB -0.406 38.176 38.460 0.204 0.000 1.015 124 Y HN 0.485 nan 8.280 nan 0.000 0.547 125 Q N -0.660 119.177 119.800 0.061 0.000 2.212 125 Q HA 0.060 4.401 4.340 0.001 0.000 0.199 125 Q C 2.119 178.091 176.000 -0.046 0.000 0.950 125 Q CA 1.094 56.895 55.803 -0.004 0.000 0.863 125 Q CB -0.439 28.307 28.738 0.013 0.000 0.944 125 Q HN 0.220 nan 8.270 nan 0.000 0.465 126 A N 1.302 124.110 122.820 -0.019 0.000 2.016 126 A HA 0.257 4.577 4.320 0.001 0.000 0.217 126 A C 2.185 179.705 177.584 -0.106 0.000 1.162 126 A CA 1.087 53.121 52.037 -0.006 0.000 0.662 126 A CB -0.346 18.706 19.000 0.087 0.000 0.812 126 A HN 0.482 nan 8.150 nan 0.000 0.450 127 A N -1.155 121.550 122.820 -0.193 0.000 2.238 127 A HA 0.558 4.878 4.320 0.001 0.000 0.210 127 A C 1.969 179.236 177.584 -0.529 0.000 1.179 127 A CA 1.126 52.929 52.037 -0.390 0.000 0.827 127 A CB -0.293 18.442 19.000 -0.440 0.000 0.856 127 A HN 0.791 nan 8.150 nan 0.000 0.488 128 A N -0.617 121.975 122.820 -0.379 0.000 2.085 128 A HA 0.108 4.429 4.320 0.001 0.000 0.208 128 A C 1.901 179.386 177.584 -0.166 0.000 1.191 128 A CA 0.756 52.629 52.037 -0.275 0.000 0.799 128 A CB -0.124 18.778 19.000 -0.163 0.000 0.877 128 A HN 0.506 nan 8.150 nan 0.000 0.473 129 Q N -0.221 119.487 119.800 -0.153 0.000 2.269 129 Q HA 0.052 4.392 4.340 0.001 0.000 0.201 129 Q C 1.890 177.800 176.000 -0.151 0.000 0.946 129 Q CA 1.027 56.758 55.803 -0.120 0.000 0.877 129 Q CB -0.033 28.660 28.738 -0.075 0.000 0.963 129 Q HN 0.506 nan 8.270 nan 0.000 0.472 130 K N 0.969 121.225 120.400 -0.240 0.000 2.186 130 K HA 0.042 4.362 4.320 0.001 0.000 0.202 130 K C 1.986 178.422 176.600 -0.274 0.000 1.052 130 K CA 0.753 56.842 56.287 -0.330 0.000 0.965 130 K CB 0.045 32.132 32.500 -0.688 0.000 0.746 130 K HN 0.149 nan 8.250 nan 0.000 0.457 131 A N 1.561 124.232 122.820 -0.249 0.000 1.908 131 A HA -0.212 4.108 4.320 0.001 0.000 0.218 131 A C 2.009 179.528 177.584 -0.109 0.000 1.181 131 A CA 1.284 53.224 52.037 -0.162 0.000 0.627 131 A CB -0.472 18.432 19.000 -0.160 0.000 0.818 131 A HN 0.318 nan 8.150 nan 0.000 0.445 132 Q N -0.004 119.737 119.800 -0.099 0.000 2.012 132 Q HA -0.253 4.088 4.340 0.001 0.000 0.211 132 Q C 1.826 177.787 176.000 -0.066 0.000 1.009 132 Q CA 2.321 58.083 55.803 -0.069 0.000 0.866 132 Q CB -0.635 28.066 28.738 -0.062 0.000 0.945 132 Q HN 0.846 nan 8.270 nan 0.000 0.414 133 E N -0.263 119.887 120.200 -0.083 0.000 2.358 133 E HA -0.017 4.334 4.350 0.001 0.000 0.195 133 E C 1.990 178.554 176.600 -0.060 0.000 1.010 133 E CA 0.153 56.514 56.400 -0.066 0.000 0.856 133 E CB 0.100 29.754 29.700 -0.077 0.000 0.795 133 E HN 0.290 nan 8.360 nan 0.000 0.504 134 L N 0.245 121.421 121.223 -0.078 0.000 2.375 134 L HA 0.007 4.348 4.340 0.001 0.000 0.215 134 L C 2.167 179.013 176.870 -0.041 0.000 1.108 134 L CA 0.208 55.014 54.840 -0.057 0.000 0.830 134 L CB 0.005 42.019 42.059 -0.075 0.000 0.959 134 L HN 0.127 nan 8.230 nan 0.000 0.457 135 L N -0.139 121.060 121.223 -0.040 0.000 2.068 135 L HA -0.129 4.211 4.340 0.001 0.000 0.204 135 L C 2.461 179.321 176.870 -0.016 0.000 1.076 135 L CA 1.166 55.991 54.840 -0.026 0.000 0.753 135 L CB -0.155 41.889 42.059 -0.025 0.000 0.910 135 L HN 0.134 nan 8.230 nan 0.000 0.439 136 K N -0.620 119.769 120.400 -0.019 0.000 2.228 136 K HA -0.213 4.107 4.320 0.001 0.000 0.205 136 K C 1.890 178.486 176.600 -0.007 0.000 1.045 136 K CA 1.972 58.251 56.287 -0.012 0.000 0.931 136 K CB -0.361 32.130 32.500 -0.015 0.000 0.727 136 K HN 0.495 nan 8.250 nan 0.000 0.458 137 T N -1.033 113.517 114.554 -0.007 0.000 3.035 137 T HA 0.037 4.388 4.350 0.001 0.000 0.259 137 T C 1.835 176.543 174.700 0.013 0.000 1.078 137 T CA 0.364 62.465 62.100 0.002 0.000 1.132 137 T CB -0.364 68.504 68.868 -0.001 0.000 0.900 137 T HN 0.366 nan 8.240 nan 0.000 0.480 138 I N 0.037 120.617 120.570 0.017 0.000 3.059 138 I HA 0.454 4.625 4.170 0.001 0.000 0.270 138 I C 1.312 177.455 176.117 0.042 0.000 1.238 138 I CA -0.526 60.799 61.300 0.042 0.000 1.478 138 I CB -0.816 37.205 38.000 0.035 0.000 1.097 138 I HN 0.147 nan 8.210 nan 0.000 0.455 139 A N 2.226 125.059 122.820 0.022 0.000 2.563 139 A HA 0.017 4.338 4.320 0.001 0.000 0.256 139 A C 0.627 178.224 177.584 0.022 0.000 1.056 139 A CA 0.219 52.269 52.037 0.021 0.000 0.775 139 A CB -0.693 18.313 19.000 0.011 0.000 0.973 139 A HN 0.723 nan 8.150 nan 0.000 0.516 140 C N 5.992 125.306 119.300 0.024 0.000 2.520 140 C HA 0.370 4.830 4.460 0.001 0.000 0.369 140 C C 0.541 175.537 174.990 0.009 0.000 1.244 140 C CA -0.966 58.062 59.018 0.017 0.000 1.677 140 C CB -1.485 26.265 27.740 0.016 0.000 2.324 140 C HN 0.803 nan 8.230 nan 0.000 0.557 141 E N 3.941 124.144 120.200 0.007 0.000 2.383 141 E HA 0.537 4.887 4.350 0.001 0.000 0.264 141 E C -0.275 176.327 176.600 0.003 0.000 1.050 141 E CA -0.388 56.015 56.400 0.005 0.000 0.896 141 E CB 1.394 31.097 29.700 0.004 0.000 0.982 141 E HN 0.628 nan 8.360 nan 0.000 0.424 142 V N 0.401 120.317 119.914 0.003 0.000 3.279 142 V HA 0.426 4.546 4.120 0.001 0.000 0.281 142 V C -0.707 175.388 176.094 0.001 0.000 1.601 142 V CA 0.102 62.403 62.300 0.002 0.000 1.044 142 V CB 1.877 33.702 31.823 0.003 0.000 1.205 142 V HN 1.025 nan 8.190 nan 0.000 0.464 143 G N 3.217 112.017 108.800 0.001 0.000 2.479 143 G HA2 0.132 4.093 3.960 0.001 0.000 0.200 143 G HA3 0.132 4.093 3.960 0.001 0.000 0.200 143 G C 0.876 175.777 174.900 0.000 0.000 0.183 143 G CA 0.824 45.924 45.100 0.000 0.000 1.081 143 G HN 2.075 nan 8.290 nan 0.000 0.495 144 A N 3.088 125.908 122.820 -0.000 0.000 2.125 144 A HA -0.001 4.319 4.320 0.001 0.000 0.199 144 A C 2.172 179.755 177.584 -0.001 0.000 1.193 144 A CA 2.218 54.254 52.037 -0.001 0.000 0.747 144 A CB -0.468 18.532 19.000 -0.001 0.000 0.853 144 A HN 1.708 nan 8.150 nan 0.000 0.513 145 Q N 0.235 120.033 119.800 -0.002 0.000 2.239 145 Q HA 0.252 4.592 4.340 0.001 0.000 0.219 145 Q C -0.700 175.298 176.000 -0.002 0.000 0.901 145 Q CA 0.168 55.969 55.803 -0.003 0.000 0.949 145 Q CB -0.486 28.249 28.738 -0.004 0.000 1.038 145 Q HN 0.457 nan 8.270 nan 0.000 0.458 146 D N 1.633 122.032 120.400 -0.001 0.000 2.488 146 D HA -0.060 4.581 4.640 0.001 0.000 0.238 146 D C 0.772 177.072 176.300 -0.001 0.000 1.138 146 D CA 0.221 54.220 54.000 -0.001 0.000 0.873 146 D CB 0.997 41.797 40.800 -0.000 0.000 1.183 146 D HN 0.374 nan 8.370 nan 0.000 0.458 147 K N 3.283 123.682 120.400 -0.001 0.000 1.963 147 K HA -0.217 4.104 4.320 0.001 0.000 0.216 147 K C 1.615 178.215 176.600 0.001 0.000 1.045 147 K CA 1.408 57.695 56.287 -0.000 0.000 0.954 147 K CB -0.182 32.317 32.500 -0.001 0.000 0.732 147 K HN 0.583 nan 8.250 nan 0.000 0.442 148 E N 0.592 120.792 120.200 0.001 0.000 2.200 148 E HA -0.257 4.093 4.350 0.001 0.000 0.211 148 E C 1.942 178.543 176.600 0.003 0.000 1.048 148 E CA 2.396 58.797 56.400 0.002 0.000 0.851 148 E CB -0.413 29.288 29.700 0.002 0.000 0.747 148 E HN 0.624 nan 8.360 nan 0.000 0.462 149 I N -2.104 118.467 120.570 0.002 0.000 3.226 149 I HA -0.036 4.135 4.170 0.001 0.000 0.277 149 I C 1.844 177.962 176.117 0.003 0.000 1.243 149 I CA 0.381 61.682 61.300 0.003 0.000 1.459 149 I CB 0.015 38.016 38.000 0.003 0.000 1.093 149 I HN 0.006 nan 8.210 nan 0.000 0.453 150 L N 1.348 122.572 121.223 0.002 0.000 2.156 150 L HA -0.026 4.314 4.340 0.001 0.000 0.208 150 L C 2.491 179.362 176.870 0.002 0.000 1.095 150 L CA 2.204 57.045 54.840 0.001 0.000 0.770 150 L CB -1.006 41.052 42.059 -0.000 0.000 0.914 150 L HN 0.615 nan 8.230 nan 0.000 0.439 151 T N -5.059 109.496 114.554 0.003 0.000 3.188 151 T HA 0.050 4.401 4.350 0.001 0.000 0.250 151 T C 1.501 176.205 174.700 0.006 0.000 1.077 151 T CA 0.123 62.225 62.100 0.004 0.000 0.967 151 T CB -0.039 68.831 68.868 0.004 0.000 1.006 151 T HN 0.196 nan 8.240 nan 0.000 0.552 152 K N 0.633 121.037 120.400 0.007 0.000 2.313 152 K HA 0.316 4.636 4.320 0.001 0.000 0.197 152 K C 1.405 178.010 176.600 0.009 0.000 1.061 152 K CA 0.550 56.843 56.287 0.009 0.000 0.980 152 K CB 0.244 32.749 32.500 0.009 0.000 0.888 152 K HN 0.508 nan 8.250 nan 0.000 0.502 153 I N -1.752 118.822 120.570 0.007 0.000 3.956 153 I HA 0.227 4.397 4.170 0.001 0.000 0.333 153 I C 1.814 177.933 176.117 0.004 0.000 1.302 153 I CA -0.047 61.257 61.300 0.006 0.000 1.122 153 I CB 0.361 38.364 38.000 0.005 0.000 1.013 153 I HN -0.162 nan 8.210 nan 0.000 0.405 154 A N 2.711 125.533 122.820 0.004 0.000 1.855 154 A HA -0.154 4.166 4.320 0.001 0.000 0.215 154 A C 2.405 179.992 177.584 0.006 0.000 1.191 154 A CA 2.068 54.108 52.037 0.004 0.000 0.613 154 A CB -0.648 18.354 19.000 0.003 0.000 0.829 154 A HN 0.578 nan 8.150 nan 0.000 0.442 155 M N 0.559 120.164 119.600 0.009 0.000 2.270 155 M HA -0.264 4.217 4.480 0.001 0.000 0.254 155 M C 1.689 177.999 176.300 0.016 0.000 1.072 155 M CA 3.400 58.708 55.300 0.013 0.000 1.077 155 M CB -2.335 30.275 32.600 0.016 0.000 1.288 155 M HN 0.301 nan 8.290 nan 0.000 0.424 156 T N -1.381 113.181 114.554 0.014 0.000 2.802 156 T HA -0.168 4.183 4.350 0.001 0.000 0.269 156 T C 1.957 176.661 174.700 0.006 0.000 1.062 156 T CA 1.738 63.844 62.100 0.011 0.000 1.133 156 T CB -0.836 68.039 68.868 0.012 0.000 0.852 156 T HN 0.580 nan 8.240 nan 0.000 0.485 157 S N 0.980 116.683 115.700 0.005 0.000 2.348 157 S HA 0.185 4.655 4.470 0.001 0.000 0.219 157 S C 1.429 176.031 174.600 0.002 0.000 1.033 157 S CA 0.294 58.495 58.200 0.002 0.000 0.974 157 S CB -0.272 62.928 63.200 -0.000 0.000 0.868 157 S HN 0.432 nan 8.310 nan 0.000 0.459 158 I N 2.559 123.132 120.570 0.005 0.000 3.518 158 I HA 0.020 4.190 4.170 0.001 0.000 0.305 158 I C 0.724 176.850 176.117 0.015 0.000 1.204 158 I CA 0.191 61.495 61.300 0.008 0.000 1.211 158 I CB -0.883 37.122 38.000 0.008 0.000 1.018 158 I HN 0.207 nan 8.210 nan 0.000 0.500 159 T N -2.000 112.563 114.554 0.015 0.000 2.855 159 T HA 0.648 4.998 4.350 0.001 0.000 0.281 159 T C 0.732 175.440 174.700 0.014 0.000 1.007 159 T CA -0.102 62.013 62.100 0.024 0.000 1.009 159 T CB 1.825 70.710 68.868 0.029 0.000 0.983 159 T HN 0.404 nan 8.240 nan 0.000 0.455 160 G N 2.113 110.928 108.800 0.025 0.000 2.140 160 G HA2 -0.136 3.825 3.960 0.001 0.000 0.211 160 G HA3 -0.136 3.825 3.960 0.001 0.000 0.211 160 G C -0.208 174.697 174.900 0.008 0.000 1.013 160 G CA 0.161 45.269 45.100 0.013 0.000 0.705 160 G HN 0.922 nan 8.290 nan 0.000 0.508 161 K N -1.662 118.747 120.400 0.014 0.000 2.399 161 K HA 0.638 4.958 4.320 0.001 0.000 0.260 161 K C 1.624 178.227 176.600 0.004 0.000 1.049 161 K CA -0.701 55.586 56.287 0.000 0.000 0.890 161 K CB 0.695 33.189 32.500 -0.009 0.000 1.430 161 K HN 0.350 nan 8.250 nan 0.000 0.459 162 G N 0.446 109.240 108.800 -0.009 0.000 2.657 162 G HA2 -0.260 3.701 3.960 0.001 0.000 0.224 162 G HA3 -0.260 3.701 3.960 0.001 0.000 0.224 162 G C 0.695 175.598 174.900 0.006 0.000 1.086 162 G CA 1.743 46.840 45.100 -0.004 0.000 0.730 162 G HN 0.559 nan 8.290 nan 0.000 0.602 163 A N -0.487 122.338 122.820 0.007 0.000 2.515 163 A HA 0.455 4.775 4.320 0.001 0.000 0.253 163 A C 1.095 178.686 177.584 0.012 0.000 0.863 163 A CA 0.810 52.852 52.037 0.009 0.000 1.124 163 A CB -0.080 18.924 19.000 0.007 0.000 1.214 163 A HN 0.371 nan 8.150 nan 0.000 0.470 164 E N 0.576 120.788 120.200 0.020 0.000 2.510 164 E HA -0.161 4.190 4.350 0.001 0.000 0.202 164 E C 1.342 177.955 176.600 0.022 0.000 1.072 164 E CA 0.901 57.317 56.400 0.027 0.000 0.883 164 E CB 0.019 29.749 29.700 0.050 0.000 0.818 164 E HN 0.269 nan 8.360 nan 0.000 0.548 165 K N 0.928 121.335 120.400 0.012 0.000 1.973 165 K HA -0.066 4.254 4.320 0.001 0.000 0.212 165 K C 2.008 178.609 176.600 0.002 0.000 1.047 165 K CA 1.603 57.891 56.287 0.002 0.000 0.937 165 K CB -0.839 31.662 32.500 0.001 0.000 0.721 165 K HN 0.260 nan 8.250 nan 0.000 0.440 166 A N 1.965 124.788 122.820 0.005 0.000 2.209 166 A HA -0.133 4.187 4.320 0.001 0.000 0.212 166 A C 1.830 179.418 177.584 0.006 0.000 1.158 166 A CA 1.552 53.592 52.037 0.005 0.000 0.742 166 A CB -0.505 18.499 19.000 0.007 0.000 0.790 166 A HN 0.493 nan 8.150 nan 0.000 0.472 167 K N 0.770 121.175 120.400 0.008 0.000 2.128 167 K HA -0.343 3.977 4.320 0.001 0.000 0.220 167 K C 1.734 178.339 176.600 0.008 0.000 1.049 167 K CA 2.272 58.565 56.287 0.010 0.000 0.948 167 K CB -0.659 31.850 32.500 0.015 0.000 0.742 167 K HN 0.530 nan 8.250 nan 0.000 0.465 168 E N 0.714 120.918 120.200 0.006 0.000 2.150 168 E HA -0.225 4.126 4.350 0.001 0.000 0.193 168 E C 1.922 178.525 176.600 0.004 0.000 0.985 168 E CA 1.279 57.682 56.400 0.005 0.000 0.814 168 E CB 0.047 29.748 29.700 0.003 0.000 0.752 168 E HN 0.343 nan 8.360 nan 0.000 0.466 169 K N 0.271 120.674 120.400 0.005 0.000 2.031 169 K HA -0.061 4.259 4.320 0.001 0.000 0.205 169 K C 2.083 178.687 176.600 0.006 0.000 1.049 169 K CA 0.617 56.907 56.287 0.006 0.000 0.939 169 K CB -0.353 32.151 32.500 0.006 0.000 0.717 169 K HN 0.072 nan 8.250 nan 0.000 0.438 170 L N 0.668 121.895 121.223 0.006 0.000 2.089 170 L HA -0.179 4.162 4.340 0.001 0.000 0.213 170 L C 2.123 178.996 176.870 0.004 0.000 1.079 170 L CA 2.215 57.058 54.840 0.006 0.000 0.758 170 L CB -1.330 40.732 42.059 0.006 0.000 0.891 170 L HN 0.271 nan 8.230 nan 0.000 0.433 171 A N -1.938 120.884 122.820 0.005 0.000 2.169 171 A HA -0.082 4.239 4.320 0.001 0.000 0.212 171 A C 2.309 179.894 177.584 0.003 0.000 1.153 171 A CA 0.917 52.957 52.037 0.004 0.000 0.756 171 A CB -0.219 18.784 19.000 0.005 0.000 0.813 171 A HN 0.492 nan 8.150 nan 0.000 0.471 172 E N 0.249 120.451 120.200 0.003 0.000 2.162 172 E HA 0.010 4.361 4.350 0.001 0.000 0.193 172 E C 1.720 178.322 176.600 0.002 0.000 0.953 172 E CA 0.751 57.153 56.400 0.003 0.000 0.849 172 E CB -0.079 29.623 29.700 0.003 0.000 0.810 172 E HN 0.684 nan 8.360 nan 0.000 0.470 173 I N 0.177 120.749 120.570 0.003 0.000 3.684 173 I HA 0.060 4.231 4.170 0.001 0.000 0.304 173 I C 2.061 178.178 176.117 0.000 0.000 1.278 173 I CA 0.220 61.522 61.300 0.003 0.000 1.272 173 I CB -0.448 37.556 38.000 0.006 0.000 1.029 173 I HN 0.115 nan 8.210 nan 0.000 0.458 174 I N -1.067 119.502 120.570 -0.001 0.000 2.585 174 I HA 0.001 4.172 4.170 0.001 0.000 0.254 174 I C 2.149 178.264 176.117 -0.004 0.000 1.129 174 I CA 0.655 61.954 61.300 -0.003 0.000 1.455 174 I CB -0.482 37.517 38.000 -0.002 0.000 1.111 174 I HN -0.046 nan 8.210 nan 0.000 0.433 175 V N 1.671 121.583 119.914 -0.003 0.000 2.548 175 V HA -0.130 3.991 4.120 0.001 0.000 0.249 175 V C 2.328 178.419 176.094 -0.006 0.000 1.055 175 V CA 1.713 64.010 62.300 -0.004 0.000 1.065 175 V CB -0.743 31.078 31.823 -0.002 0.000 0.681 175 V HN 0.437 nan 8.190 nan 0.000 0.462 176 E N -0.270 119.927 120.200 -0.005 0.000 2.482 176 E HA 0.035 4.385 4.350 0.001 0.000 0.196 176 E C 2.006 178.600 176.600 -0.011 0.000 1.047 176 E CA 0.759 57.155 56.400 -0.007 0.000 0.869 176 E CB 0.098 29.796 29.700 -0.004 0.000 0.836 176 E HN 0.617 nan 8.360 nan 0.000 0.520 177 A N 0.477 123.290 122.820 -0.011 0.000 1.973 177 A HA 0.009 4.330 4.320 0.001 0.000 0.210 177 A C 2.165 179.740 177.584 -0.016 0.000 1.200 177 A CA 0.261 52.290 52.037 -0.013 0.000 0.707 177 A CB -0.236 18.757 19.000 -0.011 0.000 0.862 177 A HN 0.191 nan 8.150 nan 0.000 0.461 178 V N -0.072 119.834 119.914 -0.013 0.000 2.427 178 V HA -0.088 4.032 4.120 0.001 0.000 0.248 178 V C 1.700 177.785 176.094 -0.015 0.000 1.051 178 V CA 2.821 65.113 62.300 -0.014 0.000 1.048 178 V CB -0.161 31.656 31.823 -0.011 0.000 0.666 178 V HN 0.379 nan 8.190 nan 0.000 0.456 179 S N -0.056 115.635 115.700 -0.015 0.000 2.597 179 S HA 0.488 4.958 4.470 0.001 0.000 0.224 179 S C 1.615 176.202 174.600 -0.022 0.000 0.955 179 S CA 0.486 58.676 58.200 -0.016 0.000 0.933 179 S CB 0.540 63.733 63.200 -0.012 0.000 0.788 179 S HN 0.819 nan 8.310 nan 0.000 0.488 180 A N 1.156 123.959 122.820 -0.027 0.000 1.956 180 A HA 0.143 4.463 4.320 0.001 0.000 0.212 180 A C 2.171 179.724 177.584 -0.052 0.000 1.188 180 A CA 0.963 52.975 52.037 -0.041 0.000 0.675 180 A CB -0.510 18.465 19.000 -0.042 0.000 0.845 180 A HN 0.480 nan 8.150 nan 0.000 0.455 181 V N -2.184 117.706 119.914 -0.039 0.000 2.599 181 V HA 0.112 4.232 4.120 0.001 0.000 0.245 181 V C 1.415 177.493 176.094 -0.027 0.000 1.046 181 V CA 0.628 62.906 62.300 -0.037 0.000 1.065 181 V CB -1.114 30.694 31.823 -0.025 0.000 0.703 181 V HN 0.374 nan 8.190 nan 0.000 0.464 182 V N 5.144 125.046 119.914 -0.020 0.000 2.707 182 V HA 0.003 4.124 4.120 0.001 0.000 0.291 182 V C 0.007 176.094 176.094 -0.012 0.000 1.002 182 V CA 0.540 62.832 62.300 -0.014 0.000 1.200 182 V CB -1.413 30.404 31.823 -0.011 0.000 0.854 182 V HN 0.947 nan 8.190 nan 0.000 0.462 183 D N 4.310 124.706 120.400 -0.006 0.000 2.264 183 D HA 0.195 4.836 4.640 0.001 0.000 0.249 183 D C 0.513 176.813 176.300 0.000 0.000 1.070 183 D CA -0.428 53.572 54.000 -0.001 0.000 0.912 183 D CB 0.817 41.621 40.800 0.007 0.000 1.193 183 D HN 0.623 nan 8.370 nan 0.000 0.427 184 D N 0.392 120.793 120.400 0.002 0.000 2.793 184 D HA -0.287 4.354 4.640 0.001 0.000 0.228 184 D C -0.666 175.635 176.300 0.000 0.000 1.168 184 D CA 1.213 55.214 54.000 0.002 0.000 0.650 184 D CB -1.068 39.734 40.800 0.004 0.000 1.052 184 D HN 0.686 nan 8.370 nan 0.000 0.420 185 E N -1.116 119.083 120.200 -0.001 0.000 1.839 185 E HA -0.102 4.249 4.350 0.001 0.000 0.229 185 E C 0.522 177.121 176.600 -0.001 0.000 1.512 185 E CA 1.022 57.422 56.400 -0.002 0.000 0.767 185 E CB -1.121 28.577 29.700 -0.002 0.000 0.942 185 E HN 0.723 nan 8.360 nan 0.000 0.301 186 G N 2.934 111.734 108.800 -0.001 0.000 2.720 186 G HA2 -0.097 3.863 3.960 0.001 0.000 0.207 186 G HA3 -0.097 3.863 3.960 0.001 0.000 0.207 186 G C -0.406 174.494 174.900 0.000 0.000 1.068 186 G CA -0.171 44.928 45.100 -0.000 0.000 1.077 186 G HN 0.271 nan 8.290 nan 0.000 0.597 187 K N 0.317 120.717 120.400 0.000 0.000 2.709 187 K HA 0.329 4.650 4.320 0.001 0.000 0.288 187 K C -0.817 175.783 176.600 -0.001 0.000 1.362 187 K CA -0.540 55.747 56.287 0.000 0.000 1.002 187 K CB 1.680 34.180 32.500 0.001 0.000 1.407 187 K HN 0.203 nan 8.250 nan 0.000 0.526 188 V N 2.037 121.950 119.914 -0.002 0.000 2.378 188 V HA 0.346 4.466 4.120 0.001 0.000 0.288 188 V C -0.831 175.261 176.094 -0.005 0.000 1.016 188 V CA -0.484 61.814 62.300 -0.004 0.000 0.840 188 V CB 1.541 33.361 31.823 -0.005 0.000 0.994 188 V HN 0.462 nan 8.190 nan 0.000 0.431 189 D N 5.324 125.720 120.400 -0.006 0.000 2.549 189 D HA 0.333 4.973 4.640 0.001 0.000 0.251 189 D C 0.761 177.057 176.300 -0.007 0.000 1.153 189 D CA -0.485 53.512 54.000 -0.005 0.000 0.861 189 D CB 1.850 42.647 40.800 -0.004 0.000 1.207 189 D HN 0.489 nan 8.370 nan 0.000 0.543 190 K N 2.043 122.439 120.400 -0.008 0.000 2.261 190 K HA -0.365 3.956 4.320 0.001 0.000 0.198 190 K C 0.953 177.546 176.600 -0.010 0.000 0.749 190 K CA 2.010 58.292 56.287 -0.009 0.000 1.080 190 K CB -0.794 31.702 32.500 -0.007 0.000 1.044 190 K HN 0.385 nan 8.250 nan 0.000 0.617 191 D N 0.712 121.106 120.400 -0.010 0.000 2.133 191 D HA -0.123 4.517 4.640 0.001 0.000 0.192 191 D C 1.953 178.244 176.300 -0.015 0.000 1.001 191 D CA 1.185 55.178 54.000 -0.011 0.000 0.844 191 D CB -0.195 40.599 40.800 -0.009 0.000 0.944 191 D HN 0.145 nan 8.370 nan 0.000 0.447 192 L N 0.430 121.645 121.223 -0.014 0.000 2.261 192 L HA -0.058 4.282 4.340 0.001 0.000 0.216 192 L C 0.847 177.705 176.870 -0.020 0.000 1.114 192 L CA 0.762 55.592 54.840 -0.016 0.000 0.777 192 L CB -0.683 41.369 42.059 -0.012 0.000 0.910 192 L HN 0.180 nan 8.230 nan 0.000 0.440 193 I N -0.511 120.048 120.570 -0.019 0.000 2.282 193 I HA 0.174 4.345 4.170 0.001 0.000 0.290 193 I C 0.606 176.709 176.117 -0.024 0.000 1.090 193 I CA -0.409 60.878 61.300 -0.021 0.000 1.231 193 I CB 0.061 38.051 38.000 -0.017 0.000 1.434 193 I HN 0.061 nan 8.210 nan 0.000 0.487 194 K N 7.041 127.422 120.400 -0.032 0.000 2.120 194 K HA 0.500 4.821 4.320 0.001 0.000 0.245 194 K C -0.175 176.404 176.600 -0.035 0.000 1.024 194 K CA -0.432 55.832 56.287 -0.038 0.000 0.906 194 K CB 1.162 33.629 32.500 -0.054 0.000 1.051 194 K HN 0.812 nan 8.250 nan 0.000 0.491 195 I N 0.155 120.704 120.570 -0.036 0.000 2.796 195 I HA 0.292 4.463 4.170 0.001 0.000 0.277 195 I C -0.915 175.182 176.117 -0.034 0.000 1.331 195 I CA -0.945 60.338 61.300 -0.029 0.000 0.983 195 I CB 1.377 39.366 38.000 -0.019 0.000 1.410 195 I HN 0.315 nan 8.210 nan 0.000 0.561 196 E N 4.388 124.558 120.200 -0.049 0.000 2.324 196 E HA 0.223 4.573 4.350 0.001 0.000 0.271 196 E C -0.671 175.908 176.600 -0.035 0.000 1.028 196 E CA -0.005 56.359 56.400 -0.058 0.000 0.890 196 E CB 0.849 30.486 29.700 -0.106 0.000 1.004 196 E HN 0.570 nan 8.360 nan 0.000 0.431 197 K N 3.822 124.209 120.400 -0.023 0.000 2.234 197 K HA 0.503 4.823 4.320 0.001 0.000 0.277 197 K C -0.532 176.067 176.600 -0.003 0.000 1.038 197 K CA -0.695 55.590 56.287 -0.004 0.000 0.888 197 K CB 1.232 33.734 32.500 0.004 0.000 1.091 197 K HN 0.038 nan 8.250 nan 0.000 0.467 198 K N 2.259 122.666 120.400 0.011 0.000 2.687 198 K HA 0.169 4.489 4.320 0.001 0.000 0.249 198 K C -1.091 175.526 176.600 0.028 0.000 0.994 198 K CA -0.408 55.891 56.287 0.020 0.000 0.913 198 K CB 1.766 34.285 32.500 0.031 0.000 1.202 198 K HN 0.927 nan 8.250 nan 0.000 0.460 199 S N 0.678 116.392 115.700 0.024 0.000 4.212 199 S HA 0.013 4.483 4.470 0.001 0.000 0.491 199 S C 0.636 175.253 174.600 0.029 0.000 1.065 199 S CA 0.647 58.861 58.200 0.024 0.000 0.888 199 S CB -0.458 62.754 63.200 0.021 0.000 1.263 199 S HN 1.170 nan 8.310 nan 0.000 0.406 200 G N 1.026 109.841 108.800 0.026 0.000 3.233 200 G HA2 0.553 4.513 3.960 0.001 0.000 0.686 200 G HA3 0.553 4.513 3.960 0.001 0.000 0.686 200 G C -0.138 174.778 174.900 0.027 0.000 1.153 200 G CA 0.419 45.535 45.100 0.026 0.000 0.853 200 G HN 2.820 nan 8.290 nan 0.000 0.582 201 A N 0.120 122.953 122.820 0.021 0.000 5.997 201 A HA 0.480 4.801 4.320 0.001 0.000 0.222 201 A C 0.963 178.557 177.584 0.016 0.000 2.407 201 A CA 1.446 53.493 52.037 0.018 0.000 0.697 201 A CB -1.548 17.465 19.000 0.022 0.000 0.841 201 A HN 2.675 nan 8.150 nan 0.000 0.335 202 S N -2.507 113.202 115.700 0.014 0.000 3.137 202 S HA 0.736 5.206 4.470 0.001 0.000 0.292 202 S C 0.586 175.194 174.600 0.013 0.000 1.041 202 S CA 0.319 58.527 58.200 0.013 0.000 0.956 202 S CB 1.059 64.264 63.200 0.009 0.000 1.360 202 S HN 2.006 nan 8.310 nan 0.000 0.690 203 I N 0.960 121.536 120.570 0.011 0.000 3.862 203 I HA 0.370 4.540 4.170 0.001 0.000 0.328 203 I C -0.584 175.539 176.117 0.010 0.000 1.474 203 I CA 0.360 61.667 61.300 0.011 0.000 1.215 203 I CB -0.831 37.173 38.000 0.008 0.000 1.183 203 I HN 0.443 nan 8.210 nan 0.000 0.413 204 D N -0.054 120.352 120.400 0.011 0.000 5.152 204 D HA -0.103 4.538 4.640 0.001 0.000 0.297 204 D C 0.141 176.448 176.300 0.013 0.000 1.890 204 D CA 0.290 54.296 54.000 0.010 0.000 0.988 204 D CB -0.648 40.156 40.800 0.006 0.000 2.025 204 D HN 0.183 nan 8.370 nan 0.000 0.629 205 D N 2.214 122.622 120.400 0.014 0.000 2.340 205 D HA -0.133 4.507 4.640 0.001 0.000 0.216 205 D C -0.004 176.313 176.300 0.027 0.000 1.067 205 D CA 0.887 54.898 54.000 0.020 0.000 1.062 205 D CB -1.255 39.556 40.800 0.017 0.000 0.847 205 D HN 0.199 nan 8.370 nan 0.000 0.479 206 T N -2.047 112.522 114.554 0.025 0.000 2.801 206 T HA 0.374 4.724 4.350 0.001 0.000 0.306 206 T C 0.159 174.876 174.700 0.028 0.000 1.020 206 T CA -1.021 61.096 62.100 0.029 0.000 0.948 206 T CB 0.981 69.862 68.868 0.022 0.000 0.962 206 T HN 0.398 nan 8.240 nan 0.000 0.465 207 E N 2.829 123.051 120.200 0.038 0.000 2.330 207 E HA 0.560 4.910 4.350 0.001 0.000 0.256 207 E C -0.767 175.853 176.600 0.034 0.000 1.146 207 E CA -1.250 55.172 56.400 0.037 0.000 0.945 207 E CB 0.839 30.570 29.700 0.051 0.000 1.182 207 E HN 0.415 nan 8.360 nan 0.000 0.480 208 L N 1.879 123.120 121.223 0.030 0.000 2.502 208 L HA 0.265 4.606 4.340 0.001 0.000 0.247 208 L C -0.335 176.553 176.870 0.030 0.000 1.180 208 L CA -0.452 54.402 54.840 0.023 0.000 0.956 208 L CB 0.502 42.568 42.059 0.012 0.000 1.282 208 L HN 0.583 nan 8.230 nan 0.000 0.470 209 I N 1.247 121.846 120.570 0.049 0.000 3.188 209 I HA -0.030 4.141 4.170 0.001 0.000 0.309 209 I C 0.516 176.653 176.117 0.033 0.000 1.161 209 I CA -0.068 61.269 61.300 0.062 0.000 1.904 209 I CB -0.299 37.767 38.000 0.110 0.000 1.609 209 I HN 0.522 nan 8.210 nan 0.000 0.907 210 K N 5.467 125.881 120.400 0.023 0.000 2.717 210 K HA 0.119 4.440 4.320 0.001 0.000 0.205 210 K C 0.445 177.051 176.600 0.011 0.000 0.844 210 K CA 0.454 56.747 56.287 0.010 0.000 1.196 210 K CB -1.275 31.223 32.500 -0.004 0.000 0.930 210 K HN 0.915 nan 8.250 nan 0.000 0.280 211 G N -0.628 108.174 108.800 0.005 0.000 2.561 211 G HA2 0.429 4.389 3.960 0.001 0.000 0.310 211 G HA3 0.429 4.389 3.960 0.001 0.000 0.310 211 G C -1.679 173.205 174.900 -0.027 0.000 1.292 211 G CA -0.731 44.371 45.100 0.003 0.000 0.811 211 G HN 0.080 nan 8.290 nan 0.000 0.482 212 V N 0.544 120.428 119.914 -0.050 0.000 2.569 212 V HA 0.594 4.714 4.120 0.001 0.000 0.301 212 V C -0.809 175.194 176.094 -0.152 0.000 1.044 212 V CA -0.503 61.736 62.300 -0.103 0.000 0.874 212 V CB 1.547 33.291 31.823 -0.130 0.000 1.002 212 V HN 0.695 nan 8.190 nan 0.000 0.424 213 L N 6.922 128.029 121.223 -0.193 0.000 2.316 213 L HA 0.762 5.102 4.340 0.001 0.000 0.280 213 L C -0.299 176.410 176.870 -0.268 0.000 1.006 213 L CA -0.516 54.131 54.840 -0.321 0.000 0.836 213 L CB 1.605 43.380 42.059 -0.474 0.000 1.221 213 L HN 0.632 nan 8.230 nan 0.000 0.418 214 V N 1.044 120.814 119.914 -0.240 0.000 3.096 214 V HA 0.542 4.662 4.120 0.001 0.000 0.319 214 V C -0.370 175.658 176.094 -0.110 0.000 1.082 214 V CA -0.558 61.641 62.300 -0.169 0.000 1.022 214 V CB 1.920 33.627 31.823 -0.194 0.000 1.103 214 V HN 0.665 nan 8.190 nan 0.000 0.455 215 D N 2.105 122.468 120.400 -0.060 0.000 2.970 215 D HA 0.394 5.035 4.640 0.001 0.000 0.282 215 D C -0.246 176.064 176.300 0.017 0.000 1.291 215 D CA 0.073 54.056 54.000 -0.027 0.000 0.967 215 D CB 0.019 40.801 40.800 -0.030 0.000 1.017 215 D HN 0.556 nan 8.370 nan 0.000 0.512 216 K N 0.371 120.804 120.400 0.054 0.000 2.482 216 K HA 0.390 4.710 4.320 0.001 0.000 0.257 216 K C -0.064 176.594 176.600 0.096 0.000 0.969 216 K CA -0.699 55.637 56.287 0.080 0.000 0.842 216 K CB 2.400 34.959 32.500 0.098 0.000 1.359 216 K HN 0.084 nan 8.250 nan 0.000 0.441 217 E N 1.384 121.629 120.200 0.076 0.000 2.283 217 E HA 0.257 4.607 4.350 0.001 0.000 0.267 217 E C -0.526 176.105 176.600 0.051 0.000 1.045 217 E CA -0.878 55.562 56.400 0.066 0.000 0.884 217 E CB 0.927 30.656 29.700 0.049 0.000 1.106 217 E HN 0.194 nan 8.360 nan 0.000 0.408 218 R N 1.403 121.926 120.500 0.039 0.000 2.638 218 R HA -0.075 4.265 4.340 0.001 0.000 0.351 218 R C 0.849 177.153 176.300 0.008 0.000 0.871 218 R CA -0.168 55.938 56.100 0.011 0.000 1.091 218 R CB -0.225 30.075 30.300 -0.000 0.000 0.900 218 R HN 0.382 nan 8.270 nan 0.000 0.405 219 V N 2.611 122.524 119.914 -0.001 0.000 2.287 219 V HA -0.180 3.940 4.120 0.001 0.000 0.248 219 V C 1.061 177.158 176.094 0.005 0.000 1.053 219 V CA 1.921 64.223 62.300 0.004 0.000 1.027 219 V CB 0.175 31.998 31.823 -0.000 0.000 0.646 219 V HN 0.775 nan 8.190 nan 0.000 0.447 220 S N -0.890 114.811 115.700 0.001 0.000 2.439 220 S HA 0.501 4.971 4.470 0.001 0.000 0.282 220 S C 1.071 175.672 174.600 0.002 0.000 1.170 220 S CA -0.012 58.190 58.200 0.004 0.000 1.054 220 S CB 1.356 64.556 63.200 0.001 0.000 0.956 220 S HN 0.577 nan 8.310 nan 0.000 0.490 221 A N 4.940 127.765 122.820 0.009 0.000 1.933 221 A HA -0.129 4.192 4.320 0.001 0.000 0.218 221 A C 1.839 179.424 177.584 0.003 0.000 1.175 221 A CA 1.785 53.826 52.037 0.008 0.000 0.628 221 A CB -0.693 18.314 19.000 0.013 0.000 0.814 221 A HN 1.013 nan 8.150 nan 0.000 0.444 222 Q N -1.592 118.209 119.800 0.001 0.000 2.726 222 Q HA -0.324 4.016 4.340 0.001 0.000 0.255 222 Q C 0.385 176.371 176.000 -0.023 0.000 1.486 222 Q CA 2.043 57.837 55.803 -0.015 0.000 1.024 222 Q CB -1.079 27.639 28.738 -0.033 0.000 0.876 222 Q HN 0.653 nan 8.270 nan 0.000 0.624 223 M N 2.406 121.994 119.600 -0.021 0.000 2.080 223 M HA 0.345 4.826 4.480 0.001 0.000 0.350 223 M C -2.339 173.947 176.300 -0.022 0.000 1.143 223 M CA -1.858 53.425 55.300 -0.028 0.000 1.064 223 M CB 1.595 34.174 32.600 -0.035 0.000 1.429 223 M HN -0.090 nan 8.290 nan 0.000 0.418 224 P HA -0.138 nan 4.420 nan 0.000 0.263 224 P C -0.482 176.812 177.300 -0.009 0.000 1.162 224 P CA 0.494 63.586 63.100 -0.013 0.000 0.758 224 P CB 0.503 32.195 31.700 -0.014 0.000 0.773 225 K N 3.890 124.289 120.400 -0.002 0.000 3.001 225 K HA 0.271 4.592 4.320 0.001 0.000 0.257 225 K C -0.477 176.127 176.600 0.008 0.000 1.290 225 K CA -0.014 56.277 56.287 0.006 0.000 1.252 225 K CB -0.860 31.642 32.500 0.005 0.000 1.656 225 K HN 0.277 nan 8.250 nan 0.000 0.351 226 K N -0.985 119.420 120.400 0.009 0.000 3.337 226 K HA 0.020 4.341 4.320 0.001 0.000 0.446 226 K C -1.734 174.872 176.600 0.009 0.000 1.278 226 K CA -0.246 56.048 56.287 0.012 0.000 1.005 226 K CB -0.277 32.225 32.500 0.003 0.000 1.210 226 K HN -0.031 nan 8.250 nan 0.000 0.443 227 V N 2.571 122.495 119.914 0.018 0.000 3.074 227 V HA 0.581 4.701 4.120 0.001 0.000 0.314 227 V C 0.719 176.825 176.094 0.021 0.000 1.117 227 V CA -0.306 62.003 62.300 0.014 0.000 1.014 227 V CB 1.893 33.723 31.823 0.012 0.000 1.057 227 V HN 0.978 nan 8.190 nan 0.000 0.438 228 T N 0.299 114.863 114.554 0.015 0.000 3.074 228 T HA 0.140 4.490 4.350 0.001 0.000 0.182 228 T C -0.172 174.541 174.700 0.021 0.000 0.747 228 T CA 0.016 62.125 62.100 0.016 0.000 1.884 228 T CB -0.148 68.726 68.868 0.009 0.000 2.388 228 T HN 0.679 nan 8.240 nan 0.000 0.421 229 D N 2.570 122.982 120.400 0.019 0.000 2.551 229 D HA 0.551 5.192 4.640 0.001 0.000 0.223 229 D C -0.119 176.195 176.300 0.023 0.000 1.144 229 D CA -0.170 53.843 54.000 0.022 0.000 1.025 229 D CB -0.422 40.391 40.800 0.022 0.000 1.085 229 D HN 0.655 nan 8.370 nan 0.000 0.506 230 A N 2.096 124.934 122.820 0.030 0.000 2.587 230 A HA 0.045 4.366 4.320 0.001 0.000 0.233 230 A C 0.440 178.047 177.584 0.038 0.000 1.049 230 A CA 0.187 52.245 52.037 0.035 0.000 0.754 230 A CB 0.250 19.280 19.000 0.050 0.000 0.977 230 A HN 0.257 nan 8.150 nan 0.000 0.509 231 K N 2.439 122.859 120.400 0.033 0.000 2.499 231 K HA 0.408 4.728 4.320 0.001 0.000 0.215 231 K C -0.949 175.678 176.600 0.044 0.000 1.041 231 K CA -0.140 56.168 56.287 0.035 0.000 1.031 231 K CB 0.414 32.927 32.500 0.021 0.000 1.479 231 K HN 0.551 nan 8.250 nan 0.000 0.518 232 I N 1.858 122.475 120.570 0.078 0.000 2.752 232 I HA 0.122 4.293 4.170 0.001 0.000 0.287 232 I C 0.472 176.653 176.117 0.107 0.000 1.188 232 I CA 0.096 61.473 61.300 0.129 0.000 1.427 232 I CB 0.613 38.751 38.000 0.231 0.000 1.365 232 I HN 0.501 nan 8.210 nan 0.000 0.585 233 A N 7.305 130.191 122.820 0.110 0.000 2.332 233 A HA 0.707 5.027 4.320 0.001 0.000 0.300 233 A C -0.613 177.045 177.584 0.124 0.000 1.153 233 A CA -0.717 51.370 52.037 0.083 0.000 0.764 233 A CB 0.521 19.544 19.000 0.039 0.000 1.174 233 A HN 0.639 nan 8.150 nan 0.000 0.467 234 L N 2.919 124.207 121.223 0.109 0.000 2.407 234 L HA 0.283 4.623 4.340 0.001 0.000 0.282 234 L C -0.774 176.141 176.870 0.074 0.000 1.110 234 L CA -0.437 54.466 54.840 0.105 0.000 0.863 234 L CB -0.038 42.066 42.059 0.075 0.000 1.207 234 L HN 0.441 nan 8.230 nan 0.000 0.454 235 L N 4.633 125.904 121.223 0.080 0.000 2.295 235 L HA 0.264 4.605 4.340 0.001 0.000 0.281 235 L C 0.822 177.722 176.870 0.050 0.000 1.018 235 L CA 0.075 54.946 54.840 0.053 0.000 0.841 235 L CB 1.032 43.118 42.059 0.044 0.000 1.218 235 L HN 0.543 nan 8.230 nan 0.000 0.424 236 N N 2.214 120.937 118.700 0.038 0.000 2.416 236 N HA -0.050 4.690 4.740 0.001 0.000 0.177 236 N C 0.675 176.201 175.510 0.027 0.000 1.036 236 N CA 0.472 53.541 53.050 0.033 0.000 0.901 236 N CB 0.186 38.687 38.487 0.024 0.000 0.976 236 N HN 0.546 nan 8.380 nan 0.000 0.444 237 C N 0.023 119.338 119.300 0.025 0.000 2.478 237 C HA 0.848 5.308 4.460 0.001 0.000 0.379 237 C C 0.306 175.310 174.990 0.023 0.000 1.470 237 C CA -0.398 58.633 59.018 0.021 0.000 2.066 237 C CB 0.214 27.965 27.740 0.017 0.000 2.001 237 C HN 0.476 nan 8.230 nan 0.000 0.550 238 A N 1.069 123.901 122.820 0.020 0.000 2.317 238 A HA 0.692 5.012 4.320 0.001 0.000 0.327 238 A C -0.132 177.464 177.584 0.021 0.000 1.178 238 A CA -0.520 51.529 52.037 0.020 0.000 0.817 238 A CB 0.462 19.473 19.000 0.017 0.000 1.189 238 A HN 0.899 nan 8.150 nan 0.000 0.489 239 I N 1.475 122.059 120.570 0.023 0.000 3.850 239 I HA 0.074 4.245 4.170 0.001 0.000 0.333 239 I C 0.658 176.792 176.117 0.029 0.000 1.511 239 I CA 0.220 61.535 61.300 0.026 0.000 1.199 239 I CB -0.164 37.853 38.000 0.028 0.000 1.217 239 I HN 0.793 nan 8.210 nan 0.000 0.423 240 E N 1.858 122.072 120.200 0.024 0.000 2.089 240 E HA 0.287 4.638 4.350 0.001 0.000 0.284 240 E C -0.701 175.911 176.600 0.021 0.000 1.023 240 E CA -0.338 56.076 56.400 0.023 0.000 0.819 240 E CB 1.001 30.712 29.700 0.019 0.000 1.076 240 E HN 0.162 nan 8.360 nan 0.000 0.396 241 E N 2.358 122.572 120.200 0.025 0.000 2.431 241 E HA 0.196 4.546 4.350 0.001 0.000 0.268 241 E C -0.713 175.901 176.600 0.024 0.000 0.953 241 E CA -0.868 55.545 56.400 0.021 0.000 0.810 241 E CB 1.760 31.472 29.700 0.021 0.000 1.369 241 E HN 0.675 nan 8.360 nan 0.000 0.440 242 T N -1.143 113.423 114.554 0.020 0.000 2.738 242 T HA 0.455 4.805 4.350 0.001 0.000 0.293 242 T C 0.490 175.204 174.700 0.023 0.000 0.913 242 T CA -0.184 61.927 62.100 0.019 0.000 1.103 242 T CB -0.076 68.800 68.868 0.014 0.000 0.880 242 T HN 0.632 nan 8.240 nan 0.000 0.526 243 A N 3.411 126.247 122.820 0.026 0.000 1.710 243 A HA 0.245 4.566 4.320 0.001 0.000 0.344 243 A C 1.029 178.635 177.584 0.037 0.000 0.753 243 A CA 1.074 53.129 52.037 0.029 0.000 1.569 243 A CB -1.888 17.126 19.000 0.023 0.000 0.613 243 A HN 2.862 nan 8.150 nan 0.000 0.182 244 S N 1.087 116.822 115.700 0.057 0.000 4.074 244 S HA -0.149 4.322 4.470 0.001 0.000 0.636 244 S C 0.814 175.462 174.600 0.080 0.000 1.550 244 S CA 1.717 59.959 58.200 0.070 0.000 1.877 244 S CB -1.687 61.553 63.200 0.067 0.000 0.327 244 S HN 2.191 nan 8.310 nan 0.000 1.583 245 E N -0.006 120.228 120.200 0.057 0.000 2.813 245 E HA -0.341 4.009 4.350 0.001 0.000 0.233 245 E C 1.762 178.373 176.600 0.018 0.000 0.922 245 E CA 2.709 59.125 56.400 0.028 0.000 1.351 245 E CB -0.469 29.239 29.700 0.014 0.000 1.349 245 E HN 0.588 nan 8.360 nan 0.000 0.485 246 M N -0.066 119.545 119.600 0.019 0.000 2.686 246 M HA -0.093 4.387 4.480 0.001 0.000 0.246 246 M C 1.673 177.986 176.300 0.022 0.000 1.096 246 M CA 0.210 55.518 55.300 0.013 0.000 1.076 246 M CB 0.168 32.777 32.600 0.014 0.000 1.504 246 M HN 0.228 nan 8.290 nan 0.000 0.524 247 L N -0.382 120.865 121.223 0.041 0.000 2.362 247 L HA 0.062 4.402 4.340 0.001 0.000 0.204 247 L C 1.976 178.883 176.870 0.063 0.000 1.060 247 L CA 1.685 56.563 54.840 0.063 0.000 0.827 247 L CB -0.423 41.686 42.059 0.083 0.000 1.027 247 L HN 0.034 nan 8.230 nan 0.000 0.474 248 K N -0.589 119.834 120.400 0.038 0.000 2.211 248 K HA -0.148 4.172 4.320 0.001 0.000 0.203 248 K C 1.364 177.870 176.600 -0.157 0.000 1.050 248 K CA 1.373 57.585 56.287 -0.125 0.000 0.945 248 K CB 0.074 32.420 32.500 -0.257 0.000 0.732 248 K HN 0.261 nan 8.250 nan 0.000 0.451 249 D N 0.202 120.553 120.400 -0.083 0.000 2.269 249 D HA -0.086 4.555 4.640 0.001 0.000 0.208 249 D C 1.607 177.879 176.300 -0.047 0.000 0.963 249 D CA 0.999 54.959 54.000 -0.067 0.000 0.864 249 D CB 0.143 40.916 40.800 -0.045 0.000 0.936 249 D HN 0.257 nan 8.370 nan 0.000 0.505 250 M N -0.607 118.976 119.600 -0.029 0.000 2.193 250 M HA -0.081 4.399 4.480 0.001 0.000 0.265 250 M C 2.066 178.357 176.300 -0.014 0.000 1.071 250 M CA 0.720 56.012 55.300 -0.013 0.000 1.140 250 M CB 0.187 32.789 32.600 0.003 0.000 1.369 250 M HN -0.106 nan 8.290 nan 0.000 0.423 251 V N -0.023 119.880 119.914 -0.017 0.000 2.453 251 V HA -0.094 4.026 4.120 0.001 0.000 0.247 251 V C 2.456 178.511 176.094 -0.064 0.000 1.048 251 V CA 1.619 63.907 62.300 -0.021 0.000 1.049 251 V CB -1.499 30.348 31.823 0.040 0.000 0.672 251 V HN 0.489 nan 8.190 nan 0.000 0.457 252 A N -0.605 122.143 122.820 -0.119 0.000 2.259 252 A HA -0.155 4.166 4.320 0.001 0.000 0.212 252 A C 2.161 179.710 177.584 -0.059 0.000 1.178 252 A CA 1.400 53.378 52.037 -0.099 0.000 0.734 252 A CB -0.345 18.575 19.000 -0.134 0.000 0.774 252 A HN 0.458 nan 8.150 nan 0.000 0.481 253 E N -0.334 119.840 120.200 -0.043 0.000 2.389 253 E HA 0.102 4.452 4.350 0.001 0.000 0.199 253 E C 1.503 178.092 176.600 -0.019 0.000 0.978 253 E CA 0.342 56.725 56.400 -0.028 0.000 0.912 253 E CB 0.016 29.701 29.700 -0.024 0.000 0.907 253 E HN 0.733 nan 8.360 nan 0.000 0.494 254 I N 0.318 120.877 120.570 -0.018 0.000 3.059 254 I HA -0.067 4.104 4.170 0.001 0.000 0.270 254 I C 2.207 178.314 176.117 -0.017 0.000 1.238 254 I CA 0.678 61.969 61.300 -0.014 0.000 1.478 254 I CB 0.038 38.031 38.000 -0.012 0.000 1.097 254 I HN -0.105 nan 8.210 nan 0.000 0.455 255 K N 2.046 122.433 120.400 -0.022 0.000 2.334 255 K HA 0.214 4.534 4.320 0.001 0.000 0.195 255 K C 1.927 178.515 176.600 -0.021 0.000 1.045 255 K CA 0.884 57.158 56.287 -0.022 0.000 1.004 255 K CB 0.128 32.612 32.500 -0.026 0.000 0.837 255 K HN 0.118 nan 8.250 nan 0.000 0.510 256 A N -0.080 122.727 122.820 -0.022 0.000 2.167 256 A HA 0.062 4.382 4.320 0.001 0.000 0.214 256 A C 1.980 179.556 177.584 -0.013 0.000 1.151 256 A CA 1.115 53.141 52.037 -0.019 0.000 0.735 256 A CB -0.403 18.584 19.000 -0.022 0.000 0.802 256 A HN 0.329 nan 8.150 nan 0.000 0.467 257 S N -1.328 114.365 115.700 -0.011 0.000 2.384 257 S HA 0.390 4.861 4.470 0.001 0.000 0.217 257 S C 1.103 175.700 174.600 -0.004 0.000 1.041 257 S CA 1.142 59.339 58.200 -0.006 0.000 0.948 257 S CB 0.069 63.266 63.200 -0.004 0.000 0.872 257 S HN 1.581 nan 8.310 nan 0.000 0.512 258 G N 0.685 109.482 108.800 -0.005 0.000 2.678 258 G HA2 0.224 4.185 3.960 0.001 0.000 0.175 258 G HA3 0.224 4.185 3.960 0.001 0.000 0.175 258 G C -0.404 174.496 174.900 -0.001 0.000 1.078 258 G CA -0.254 44.843 45.100 -0.004 0.000 0.864 258 G HN 0.718 nan 8.290 nan 0.000 0.521 259 A N 1.140 123.958 122.820 -0.004 0.000 2.322 259 A HA 0.646 4.966 4.320 0.001 0.000 0.327 259 A C 1.275 178.849 177.584 -0.017 0.000 1.394 259 A CA 0.162 52.195 52.037 -0.007 0.000 0.921 259 A CB 0.285 19.280 19.000 -0.010 0.000 1.153 259 A HN 1.125 nan 8.150 nan 0.000 0.523 260 N N 2.117 120.807 118.700 -0.016 0.000 2.364 260 N HA -0.078 4.662 4.740 0.001 0.000 0.183 260 N C -0.167 175.313 175.510 -0.050 0.000 1.022 260 N CA 1.504 54.539 53.050 -0.025 0.000 0.883 260 N CB -0.076 38.400 38.487 -0.019 0.000 0.965 260 N HN 0.282 nan 8.380 nan 0.000 0.438 261 V N 0.335 120.213 119.914 -0.059 0.000 2.733 261 V HA 0.490 4.610 4.120 0.001 0.000 0.306 261 V C -1.145 174.853 176.094 -0.160 0.000 1.084 261 V CA -0.866 61.357 62.300 -0.128 0.000 0.905 261 V CB 2.048 33.834 31.823 -0.062 0.000 1.010 261 V HN 0.171 nan 8.190 nan 0.000 0.424 262 L N 4.687 125.716 121.223 -0.324 0.000 2.464 262 L HA 0.705 5.045 4.340 0.001 0.000 0.266 262 L C -1.844 174.771 176.870 -0.426 0.000 0.965 262 L CA -0.212 54.490 54.840 -0.229 0.000 0.833 262 L CB 2.054 44.042 42.059 -0.118 0.000 1.296 262 L HN 0.576 nan 8.230 nan 0.000 0.405 263 F N 3.911 123.869 119.950 0.013 0.000 2.382 263 F HA 0.430 4.957 4.527 0.001 0.000 0.361 263 F C -0.014 175.792 175.800 0.010 0.000 1.109 263 F CA -0.782 57.225 58.000 0.011 0.000 1.031 263 F CB 1.233 40.238 39.000 0.009 0.000 1.234 263 F HN 0.410 nan 8.300 nan 0.000 0.445 264 C N 1.869 121.253 119.300 0.141 0.000 2.298 264 C HA 0.464 4.924 4.460 0.001 0.000 0.323 264 C C 1.355 176.393 174.990 0.080 0.000 1.284 264 C CA -0.782 58.289 59.018 0.089 0.000 1.577 264 C CB 0.793 28.562 27.740 0.050 0.000 2.249 264 C HN 1.034 nan 8.230 nan 0.000 0.497 265 Q N 2.412 122.251 119.800 0.065 0.000 2.020 265 Q HA -0.100 4.240 4.340 0.001 0.000 0.202 265 Q C 0.958 176.981 176.000 0.038 0.000 0.982 265 Q CA 1.410 57.242 55.803 0.047 0.000 0.838 265 Q CB 0.085 28.844 28.738 0.036 0.000 0.899 265 Q HN 0.746 nan 8.270 nan 0.000 0.423 266 K N 0.853 121.274 120.400 0.034 0.000 2.580 266 K HA -0.022 4.299 4.320 0.001 0.000 0.278 266 K C 0.389 177.008 176.600 0.031 0.000 0.960 266 K CA 0.806 57.111 56.287 0.030 0.000 0.988 266 K CB -0.221 32.294 32.500 0.025 0.000 0.887 266 K HN 0.387 nan 8.250 nan 0.000 0.509 267 G N 0.433 109.249 108.800 0.027 0.000 2.782 267 G HA2 0.743 4.703 3.960 0.001 0.000 0.201 267 G HA3 0.743 4.703 3.960 0.001 0.000 0.201 267 G C -0.459 174.456 174.900 0.024 0.000 1.374 267 G CA -0.772 44.343 45.100 0.025 0.000 1.039 267 G HN 0.505 nan 8.290 nan 0.000 0.576 268 I N -0.108 120.476 120.570 0.023 0.000 2.715 268 I HA 0.170 4.341 4.170 0.001 0.000 0.288 268 I C -1.189 174.942 176.117 0.023 0.000 1.371 268 I CA -0.674 60.641 61.300 0.024 0.000 1.056 268 I CB 2.167 40.180 38.000 0.021 0.000 1.339 268 I HN 0.515 nan 8.210 nan 0.000 0.425 269 D N 3.358 123.774 120.400 0.028 0.000 2.325 269 D HA 0.074 4.714 4.640 0.001 0.000 0.262 269 D C 0.910 177.221 176.300 0.017 0.000 1.263 269 D CA 0.301 54.314 54.000 0.021 0.000 1.020 269 D CB 0.872 41.687 40.800 0.026 0.000 1.117 269 D HN 0.542 nan 8.370 nan 0.000 0.545 270 D N -0.543 119.860 120.400 0.005 0.000 2.110 270 D HA -0.113 4.527 4.640 0.001 0.000 0.202 270 D C 1.984 178.275 176.300 -0.015 0.000 0.975 270 D CA 0.470 54.466 54.000 -0.007 0.000 0.839 270 D CB -0.269 40.516 40.800 -0.025 0.000 0.996 270 D HN 0.164 nan 8.370 nan 0.000 0.464 271 L N 1.197 122.402 121.223 -0.029 0.000 2.353 271 L HA -0.052 4.289 4.340 0.001 0.000 0.220 271 L C 2.051 178.914 176.870 -0.012 0.000 1.133 271 L CA 0.786 55.587 54.840 -0.064 0.000 0.798 271 L CB -0.494 41.521 42.059 -0.073 0.000 0.922 271 L HN -0.067 nan 8.230 nan 0.000 0.445 272 A N -0.658 122.210 122.820 0.080 0.000 1.821 272 A HA -0.247 4.074 4.320 0.001 0.000 0.215 272 A C 1.935 179.579 177.584 0.100 0.000 1.214 272 A CA 1.490 53.610 52.037 0.139 0.000 0.608 272 A CB -0.734 18.344 19.000 0.130 0.000 0.862 272 A HN 0.560 nan 8.150 nan 0.000 0.448 273 Q N -0.834 119.000 119.800 0.057 0.000 2.129 273 Q HA -0.370 3.970 4.340 0.001 0.000 0.218 273 Q C 2.028 178.054 176.000 0.044 0.000 1.040 273 Q CA 2.315 58.142 55.803 0.040 0.000 0.913 273 Q CB -0.885 27.869 28.738 0.027 0.000 1.030 273 Q HN 0.873 nan 8.270 nan 0.000 0.419 274 H N -0.784 118.236 119.070 -0.083 0.000 2.456 274 H HA -0.143 4.413 4.556 0.001 0.000 0.296 274 H C 1.418 176.672 175.328 -0.124 0.000 1.079 274 H CA 1.484 57.450 56.048 -0.137 0.000 1.322 274 H CB 0.127 29.759 29.762 -0.218 0.000 1.388 274 H HN 0.361 nan 8.280 nan 0.000 0.538 275 Y N 1.394 121.670 120.300 -0.041 0.000 2.206 275 Y HA -0.154 4.397 4.550 0.001 0.000 0.292 275 Y C 2.943 178.791 175.900 -0.087 0.000 1.123 275 Y CA 0.976 59.027 58.100 -0.081 0.000 1.142 275 Y CB -0.745 37.706 38.460 -0.014 0.000 1.006 275 Y HN 0.161 nan 8.280 nan 0.000 0.518 276 L N -0.601 120.683 121.223 0.100 0.000 2.017 276 L HA -0.355 3.986 4.340 0.001 0.000 0.234 276 L C 2.389 179.249 176.870 -0.017 0.000 1.097 276 L CA 2.321 57.176 54.840 0.024 0.000 0.816 276 L CB -1.619 40.447 42.059 0.012 0.000 0.914 276 L HN 0.120 nan 8.230 nan 0.000 0.444 277 A N -0.055 122.740 122.820 -0.042 0.000 1.978 277 A HA -0.214 4.107 4.320 0.001 0.000 0.220 277 A C 2.441 179.969 177.584 -0.092 0.000 1.170 277 A CA 2.066 54.064 52.037 -0.065 0.000 0.636 277 A CB -0.622 18.338 19.000 -0.066 0.000 0.810 277 A HN 0.617 nan 8.150 nan 0.000 0.448 278 K N -0.825 119.497 120.400 -0.130 0.000 2.217 278 K HA -0.065 4.255 4.320 0.001 0.000 0.202 278 K C 1.689 178.259 176.600 -0.050 0.000 1.051 278 K CA 1.379 57.590 56.287 -0.126 0.000 0.952 278 K CB -0.025 32.361 32.500 -0.189 0.000 0.736 278 K HN 0.603 nan 8.250 nan 0.000 0.453 279 E N -1.971 118.214 120.200 -0.025 0.000 2.340 279 E HA 0.067 4.417 4.350 0.001 0.000 0.198 279 E C 0.613 177.201 176.600 -0.020 0.000 0.961 279 E CA 0.529 56.919 56.400 -0.017 0.000 0.905 279 E CB 0.923 30.617 29.700 -0.011 0.000 0.884 279 E HN 0.470 nan 8.360 nan 0.000 0.491 280 G N 1.577 110.361 108.800 -0.025 0.000 2.260 280 G HA2 -0.222 3.738 3.960 0.001 0.000 0.179 280 G HA3 -0.222 3.738 3.960 0.001 0.000 0.179 280 G C 0.512 175.395 174.900 -0.028 0.000 1.002 280 G CA -0.159 44.926 45.100 -0.025 0.000 0.677 280 G HN 0.303 nan 8.290 nan 0.000 0.486 281 I N 0.911 121.463 120.570 -0.030 0.000 3.658 281 I HA 0.190 4.360 4.170 0.001 0.000 0.291 281 I C 0.962 177.045 176.117 -0.056 0.000 1.186 281 I CA 0.073 61.350 61.300 -0.038 0.000 1.783 281 I CB -0.679 37.300 38.000 -0.035 0.000 1.387 281 I HN 0.533 nan 8.210 nan 0.000 0.528 282 V N 4.014 123.881 119.914 -0.078 0.000 3.003 282 V HA 0.888 5.008 4.120 0.001 0.000 0.305 282 V C 0.430 176.429 176.094 -0.158 0.000 1.078 282 V CA 0.235 62.471 62.300 -0.107 0.000 1.083 282 V CB 1.243 33.002 31.823 -0.107 0.000 1.039 282 V HN 1.089 nan 8.190 nan 0.000 0.481 283 A N 3.378 126.096 122.820 -0.172 0.000 2.547 283 A HA 0.939 5.259 4.320 0.001 0.000 0.297 283 A C -0.450 177.026 177.584 -0.179 0.000 1.056 283 A CA -0.327 51.600 52.037 -0.183 0.000 0.688 283 A CB 1.585 20.530 19.000 -0.091 0.000 1.282 283 A HN 2.387 nan 8.150 nan 0.000 0.400 284 A N 1.581 124.298 122.820 -0.173 0.000 2.319 284 A HA 0.729 5.049 4.320 0.001 0.000 0.310 284 A C -0.015 177.592 177.584 0.038 0.000 1.152 284 A CA -0.606 51.418 52.037 -0.022 0.000 0.783 284 A CB 0.599 19.664 19.000 0.107 0.000 1.184 284 A HN 1.412 nan 8.150 nan 0.000 0.474 285 R N 1.830 122.354 120.500 0.039 0.000 2.441 285 R HA 0.557 4.897 4.340 0.001 0.000 0.284 285 R C 0.137 176.466 176.300 0.049 0.000 1.070 285 R CA -0.210 55.914 56.100 0.041 0.000 1.047 285 R CB 0.351 30.666 30.300 0.026 0.000 1.016 285 R HN 0.527 nan 8.270 nan 0.000 0.477 286 R N 1.149 121.675 120.500 0.043 0.000 3.741 286 R HA -0.115 4.225 4.340 0.001 0.000 0.292 286 R C -0.981 175.345 176.300 0.044 0.000 1.176 286 R CA 0.911 57.034 56.100 0.038 0.000 0.794 286 R CB -2.655 27.662 30.300 0.028 0.000 1.213 286 R HN 0.529 nan 8.270 nan 0.000 0.494 287 V N 1.114 121.067 119.914 0.065 0.000 2.446 287 V HA 0.065 4.186 4.120 0.001 0.000 0.276 287 V C 1.210 177.327 176.094 0.040 0.000 1.030 287 V CA -0.227 62.114 62.300 0.068 0.000 1.033 287 V CB 0.928 32.830 31.823 0.131 0.000 0.993 287 V HN 0.116 nan 8.190 nan 0.000 0.477 288 K N 3.734 124.145 120.400 0.017 0.000 2.448 288 K HA 0.065 4.386 4.320 0.001 0.000 0.278 288 K C 1.329 177.927 176.600 -0.004 0.000 1.009 288 K CA -0.057 56.232 56.287 0.005 0.000 0.995 288 K CB 0.364 32.864 32.500 -0.000 0.000 0.917 288 K HN 0.494 nan 8.250 nan 0.000 0.481 289 K N 1.228 121.627 120.400 -0.001 0.000 2.366 289 K HA -0.236 4.084 4.320 0.001 0.000 0.202 289 K C 1.699 178.291 176.600 -0.014 0.000 1.045 289 K CA 1.234 57.519 56.287 -0.004 0.000 0.934 289 K CB 0.034 32.535 32.500 0.002 0.000 0.746 289 K HN 0.537 nan 8.250 nan 0.000 0.470 290 S N 1.442 117.130 115.700 -0.020 0.000 2.344 290 S HA -0.198 4.272 4.470 0.001 0.000 0.217 290 S C 1.429 176.001 174.600 -0.048 0.000 1.033 290 S CA 1.994 60.177 58.200 -0.029 0.000 1.017 290 S CB -0.416 62.768 63.200 -0.027 0.000 0.941 290 S HN 0.617 nan 8.310 nan 0.000 0.430 291 D N 0.455 120.820 120.400 -0.059 0.000 2.286 291 D HA -0.217 4.424 4.640 0.001 0.000 0.195 291 D C 1.586 177.822 176.300 -0.107 0.000 1.012 291 D CA 1.530 55.473 54.000 -0.095 0.000 0.901 291 D CB -0.208 40.506 40.800 -0.144 0.000 0.903 291 D HN 0.296 nan 8.370 nan 0.000 0.451 292 M N -0.172 119.394 119.600 -0.057 0.000 2.501 292 M HA 0.091 4.571 4.480 0.001 0.000 0.261 292 M C 1.606 177.884 176.300 -0.037 0.000 1.129 292 M CA 0.773 56.048 55.300 -0.041 0.000 1.126 292 M CB -0.173 32.424 32.600 -0.006 0.000 1.359 292 M HN 0.118 nan 8.290 nan 0.000 0.471 293 E N 1.443 121.623 120.200 -0.034 0.000 2.038 293 E HA -0.222 4.128 4.350 0.001 0.000 0.195 293 E C 1.660 178.238 176.600 -0.035 0.000 1.000 293 E CA 1.748 58.131 56.400 -0.027 0.000 0.803 293 E CB -0.777 28.915 29.700 -0.014 0.000 0.750 293 E HN 0.523 nan 8.360 nan 0.000 0.448 294 K N 0.562 120.929 120.400 -0.055 0.000 2.155 294 K HA 0.031 4.352 4.320 0.001 0.000 0.203 294 K C 2.117 178.661 176.600 -0.093 0.000 1.052 294 K CA 1.024 57.270 56.287 -0.069 0.000 0.948 294 K CB -0.176 32.286 32.500 -0.063 0.000 0.728 294 K HN 0.032 nan 8.250 nan 0.000 0.448 295 L N 1.010 122.152 121.223 -0.134 0.000 2.179 295 L HA 0.010 4.351 4.340 0.001 0.000 0.208 295 L C 2.525 179.353 176.870 -0.070 0.000 1.096 295 L CA 0.768 55.507 54.840 -0.168 0.000 0.779 295 L CB -0.338 41.540 42.059 -0.302 0.000 0.922 295 L HN 0.240 nan 8.230 nan 0.000 0.443 296 A N -0.126 122.671 122.820 -0.038 0.000 2.070 296 A HA -0.180 4.140 4.320 0.001 0.000 0.220 296 A C 2.150 179.739 177.584 0.008 0.000 1.159 296 A CA 1.632 53.666 52.037 -0.006 0.000 0.656 296 A CB -0.194 18.807 19.000 0.001 0.000 0.800 296 A HN 0.410 nan 8.150 nan 0.000 0.453 297 K N -1.454 118.952 120.400 0.011 0.000 2.436 297 K HA 0.401 4.722 4.320 0.001 0.000 0.198 297 K C 2.088 178.715 176.600 0.045 0.000 1.174 297 K CA 0.506 56.820 56.287 0.044 0.000 0.951 297 K CB 0.036 32.563 32.500 0.046 0.000 1.040 297 K HN 0.276 nan 8.250 nan 0.000 0.536 298 A N 1.844 124.667 122.820 0.004 0.000 1.844 298 A HA -0.215 4.105 4.320 0.001 0.000 0.214 298 A C 2.288 179.883 177.584 0.018 0.000 1.217 298 A CA 2.763 54.798 52.037 -0.003 0.000 0.644 298 A CB -1.473 17.505 19.000 -0.037 0.000 0.850 298 A HN 0.359 nan 8.150 nan 0.000 0.456 299 T N -3.419 111.141 114.554 0.011 0.000 2.821 299 T HA 0.338 4.689 4.350 0.001 0.000 0.267 299 T C 1.433 176.161 174.700 0.045 0.000 1.046 299 T CA 1.798 63.922 62.100 0.039 0.000 1.139 299 T CB -0.183 68.718 68.868 0.056 0.000 0.871 299 T HN 1.808 nan 8.240 nan 0.000 0.454 300 G N 0.699 109.521 108.800 0.038 0.000 2.902 300 G HA2 0.261 4.222 3.960 0.001 0.000 0.215 300 G HA3 0.261 4.222 3.960 0.001 0.000 0.215 300 G C 0.260 175.163 174.900 0.005 0.000 0.976 300 G CA -0.135 44.985 45.100 0.033 0.000 0.794 300 G HN 0.843 nan 8.290 nan 0.000 0.557 301 A N 0.172 123.001 122.820 0.015 0.000 2.547 301 A HA 0.505 4.826 4.320 0.001 0.000 0.233 301 A C 0.325 177.910 177.584 0.002 0.000 1.067 301 A CA 0.772 52.816 52.037 0.013 0.000 0.763 301 A CB -0.034 18.982 19.000 0.027 0.000 1.007 301 A HN 0.573 nan 8.150 nan 0.000 0.506 302 N N 0.415 119.114 118.700 -0.001 0.000 2.426 302 N HA 0.339 5.080 4.740 0.001 0.000 0.257 302 N C -0.429 175.085 175.510 0.007 0.000 1.002 302 N CA -0.613 52.437 53.050 -0.001 0.000 0.942 302 N CB 1.847 40.328 38.487 -0.010 0.000 1.112 302 N HN 0.564 nan 8.380 nan 0.000 0.499 303 V N 5.280 125.198 119.914 0.008 0.000 2.699 303 V HA -0.096 4.024 4.120 0.001 0.000 0.296 303 V C 0.269 176.370 176.094 0.012 0.000 1.030 303 V CA 0.346 62.653 62.300 0.012 0.000 1.219 303 V CB -1.096 30.732 31.823 0.009 0.000 0.848 303 V HN 0.567 nan 8.190 nan 0.000 0.468 304 I N 3.984 124.564 120.570 0.017 0.000 2.664 304 I HA 0.519 4.689 4.170 0.001 0.000 0.308 304 I C 1.068 177.195 176.117 0.015 0.000 0.984 304 I CA -0.421 60.888 61.300 0.015 0.000 1.213 304 I CB 1.813 39.822 38.000 0.015 0.000 1.379 304 I HN 0.516 nan 8.210 nan 0.000 0.501 305 T N 1.777 116.339 114.554 0.012 0.000 2.770 305 T HA -0.044 4.306 4.350 0.001 0.000 0.258 305 T C 0.927 175.636 174.700 0.015 0.000 1.039 305 T CA 0.993 63.101 62.100 0.013 0.000 1.143 305 T CB -0.451 68.423 68.868 0.010 0.000 0.866 305 T HN 0.751 nan 8.240 nan 0.000 0.428 306 N N 0.382 119.091 118.700 0.015 0.000 2.538 306 N HA 0.183 4.924 4.740 0.001 0.000 0.292 306 N C 1.069 176.590 175.510 0.019 0.000 1.262 306 N CA -0.749 52.310 53.050 0.016 0.000 0.976 306 N CB 0.637 39.132 38.487 0.012 0.000 1.161 306 N HN -0.016 nan 8.380 nan 0.000 0.598 307 I N 1.666 122.248 120.570 0.019 0.000 2.090 307 I HA -0.164 4.007 4.170 0.001 0.000 0.236 307 I C 1.845 177.970 176.117 0.013 0.000 1.064 307 I CA 1.880 63.191 61.300 0.018 0.000 1.324 307 I CB -1.194 36.817 38.000 0.017 0.000 1.044 307 I HN 0.809 nan 8.210 nan 0.000 0.399 308 K N 0.067 120.474 120.400 0.010 0.000 2.448 308 K HA -0.230 4.090 4.320 0.001 0.000 0.200 308 K C 1.529 178.131 176.600 0.004 0.000 1.045 308 K CA 1.852 58.142 56.287 0.006 0.000 0.933 308 K CB -0.749 31.754 32.500 0.005 0.000 0.755 308 K HN 0.393 nan 8.250 nan 0.000 0.481 309 D N 0.557 120.961 120.400 0.007 0.000 2.224 309 D HA -0.025 4.615 4.640 0.001 0.000 0.205 309 D C 0.535 176.839 176.300 0.007 0.000 0.965 309 D CA 0.340 54.343 54.000 0.006 0.000 0.852 309 D CB -0.065 40.739 40.800 0.008 0.000 0.947 309 D HN 0.112 nan 8.370 nan 0.000 0.494 310 L N 0.327 121.555 121.223 0.009 0.000 2.482 310 L HA 0.153 4.493 4.340 0.001 0.000 0.273 310 L C -0.095 176.778 176.870 0.006 0.000 1.228 310 L CA 0.610 55.456 54.840 0.011 0.000 0.827 310 L CB 0.690 42.756 42.059 0.012 0.000 1.099 310 L HN -0.203 nan 8.230 nan 0.000 0.494 311 S N 0.962 116.667 115.700 0.007 0.000 2.849 311 S HA 0.480 4.951 4.470 0.001 0.000 0.298 311 S C -0.710 173.896 174.600 0.010 0.000 0.739 311 S CA -0.230 57.974 58.200 0.005 0.000 0.730 311 S CB 0.245 63.448 63.200 0.004 0.000 0.937 311 S HN 0.934 nan 8.310 nan 0.000 0.551 312 A N 3.613 126.438 122.820 0.008 0.000 3.106 312 A HA 0.351 4.671 4.320 0.001 0.000 0.306 312 A C 1.227 178.815 177.584 0.007 0.000 1.192 312 A CA -0.196 51.847 52.037 0.011 0.000 0.994 312 A CB -0.080 18.928 19.000 0.013 0.000 1.107 312 A HN 0.704 nan 8.150 nan 0.000 0.585 313 Q N 0.052 119.854 119.800 0.005 0.000 2.019 313 Q HA -0.089 4.251 4.340 0.001 0.000 0.195 313 Q C -0.033 175.968 176.000 0.000 0.000 0.981 313 Q CA 0.900 56.703 55.803 0.001 0.000 0.832 313 Q CB -0.945 27.793 28.738 -0.000 0.000 0.902 313 Q HN 0.368 nan 8.270 nan 0.000 0.461 314 D N 1.542 121.943 120.400 0.001 0.000 2.434 314 D HA -0.062 4.578 4.640 0.001 0.000 0.217 314 D C 0.196 176.503 176.300 0.011 0.000 0.979 314 D CA 0.806 54.809 54.000 0.004 0.000 1.015 314 D CB -0.335 40.469 40.800 0.006 0.000 0.845 314 D HN 0.196 nan 8.370 nan 0.000 0.496 315 L N -1.334 119.896 121.223 0.013 0.000 2.279 315 L HA 0.596 4.937 4.340 0.001 0.000 0.262 315 L C 1.256 178.143 176.870 0.027 0.000 1.019 315 L CA -0.962 53.893 54.840 0.025 0.000 0.823 315 L CB 1.909 43.990 42.059 0.036 0.000 1.358 315 L HN -0.133 nan 8.230 nan 0.000 0.432 316 G N -1.102 107.723 108.800 0.042 0.000 2.568 316 G HA2 0.458 4.419 3.960 0.001 0.000 0.293 316 G HA3 0.458 4.419 3.960 0.001 0.000 0.293 316 G C -1.706 173.219 174.900 0.042 0.000 1.347 316 G CA 0.013 45.139 45.100 0.044 0.000 1.039 316 G HN 0.568 nan 8.290 nan 0.000 0.523 317 D N -1.247 119.181 120.400 0.046 0.000 2.323 317 D HA 0.533 5.173 4.640 0.001 0.000 0.242 317 D C -0.425 175.906 176.300 0.051 0.000 1.347 317 D CA -0.185 53.840 54.000 0.043 0.000 0.988 317 D CB 0.848 41.668 40.800 0.033 0.000 1.314 317 D HN 0.548 nan 8.370 nan 0.000 0.564 318 A N 1.713 124.569 122.820 0.059 0.000 2.355 318 A HA 0.655 4.976 4.320 0.001 0.000 0.317 318 A C 1.209 178.827 177.584 0.056 0.000 1.094 318 A CA -0.365 51.710 52.037 0.063 0.000 0.764 318 A CB 1.621 20.671 19.000 0.085 0.000 1.230 318 A HN 0.527 nan 8.150 nan 0.000 0.448 319 G N 0.254 109.083 108.800 0.050 0.000 2.679 319 G HA2 0.363 4.324 3.960 0.001 0.000 0.212 319 G HA3 0.363 4.324 3.960 0.001 0.000 0.212 319 G C -0.055 174.868 174.900 0.039 0.000 1.137 319 G CA 0.809 45.932 45.100 0.039 0.000 0.787 319 G HN 0.544 nan 8.290 nan 0.000 0.534 320 L N -0.333 120.921 121.223 0.052 0.000 2.611 320 L HA 0.460 4.801 4.340 0.001 0.000 0.260 320 L C -1.266 175.654 176.870 0.084 0.000 0.924 320 L CA -0.424 54.447 54.840 0.052 0.000 0.901 320 L CB 2.680 44.760 42.059 0.034 0.000 1.369 320 L HN -0.182 nan 8.230 nan 0.000 0.415 321 V N 3.178 123.145 119.914 0.089 0.000 2.443 321 V HA 0.447 4.568 4.120 0.001 0.000 0.272 321 V C -0.523 175.636 176.094 0.109 0.000 1.002 321 V CA -0.529 61.851 62.300 0.135 0.000 0.840 321 V CB 1.528 33.436 31.823 0.142 0.000 1.042 321 V HN 0.727 nan 8.190 nan 0.000 0.446 322 E N 2.763 123.035 120.200 0.121 0.000 2.187 322 E HA 0.344 4.695 4.350 0.001 0.000 0.268 322 E C -0.370 176.317 176.600 0.145 0.000 0.896 322 E CA -0.583 55.866 56.400 0.081 0.000 0.766 322 E CB 1.591 31.290 29.700 -0.003 0.000 1.142 322 E HN 0.675 nan 8.360 nan 0.000 0.408 323 E N 5.446 125.720 120.200 0.122 0.000 1.865 323 E HA 0.065 4.415 4.350 0.001 0.000 0.269 323 E C -0.785 175.889 176.600 0.124 0.000 1.177 323 E CA -0.098 56.390 56.400 0.147 0.000 0.932 323 E CB 0.289 30.046 29.700 0.095 0.000 1.066 323 E HN 0.346 nan 8.360 nan 0.000 0.405 324 R N 3.805 124.405 120.500 0.167 0.000 2.229 324 R HA 0.236 4.577 4.340 0.001 0.000 0.328 324 R C -0.137 176.246 176.300 0.139 0.000 1.009 324 R CA -0.499 55.664 56.100 0.105 0.000 0.864 324 R CB 1.336 31.632 30.300 -0.006 0.000 1.085 324 R HN 0.266 nan 8.270 nan 0.000 0.453 325 K N 2.729 123.176 120.400 0.080 0.000 2.270 325 K HA 0.276 4.597 4.320 0.001 0.000 0.276 325 K C -0.293 176.360 176.600 0.088 0.000 1.023 325 K CA 0.063 56.397 56.287 0.077 0.000 0.955 325 K CB 0.932 33.462 32.500 0.050 0.000 0.975 325 K HN 0.457 nan 8.250 nan 0.000 0.471 326 I N 1.904 122.532 120.570 0.096 0.000 2.534 326 I HA 0.007 4.178 4.170 0.001 0.000 0.286 326 I C -0.196 175.958 176.117 0.063 0.000 1.094 326 I CA -0.162 61.198 61.300 0.099 0.000 1.055 326 I CB 1.582 39.675 38.000 0.156 0.000 1.225 326 I HN 0.852 nan 8.210 nan 0.000 0.435 327 S N 5.155 120.884 115.700 0.047 0.000 3.348 327 S HA -0.180 4.291 4.470 0.001 0.000 0.366 327 S C 0.683 175.300 174.600 0.029 0.000 0.953 327 S CA 1.040 59.260 58.200 0.032 0.000 1.255 327 S CB -2.012 61.206 63.200 0.030 0.000 0.906 327 S HN 2.479 nan 8.310 nan 0.000 0.495 328 G N 0.422 109.241 108.800 0.032 0.000 2.473 328 G HA2 0.052 4.013 3.960 0.001 0.000 0.289 328 G HA3 0.052 4.013 3.960 0.001 0.000 0.289 328 G C -0.459 174.457 174.900 0.027 0.000 1.084 328 G CA 0.072 45.187 45.100 0.026 0.000 1.215 328 G HN 1.058 nan 8.290 nan 0.000 0.527 329 D N -0.605 119.816 120.400 0.036 0.000 2.334 329 D HA 0.203 4.844 4.640 0.001 0.000 0.182 329 D C 0.218 176.549 176.300 0.052 0.000 1.157 329 D CA 0.164 54.185 54.000 0.036 0.000 0.807 329 D CB 0.578 41.395 40.800 0.029 0.000 2.649 329 D HN 0.607 nan 8.370 nan 0.000 0.494 330 S N 2.108 117.840 115.700 0.053 0.000 2.515 330 S HA 0.491 4.962 4.470 0.001 0.000 0.285 330 S C 0.423 175.068 174.600 0.074 0.000 1.265 330 S CA -0.288 57.953 58.200 0.068 0.000 1.079 330 S CB 0.169 63.410 63.200 0.067 0.000 0.877 330 S HN 0.350 nan 8.310 nan 0.000 0.493 331 M N 2.791 122.455 119.600 0.106 0.000 2.446 331 M HA 0.507 4.988 4.480 0.001 0.000 0.294 331 M C -1.019 175.373 176.300 0.154 0.000 1.158 331 M CA -0.633 54.715 55.300 0.079 0.000 0.899 331 M CB 1.820 34.404 32.600 -0.026 0.000 1.687 331 M HN 0.423 nan 8.290 nan 0.000 0.455 332 I N 2.275 122.921 120.570 0.127 0.000 2.371 332 I HA 0.353 4.523 4.170 0.001 0.000 0.290 332 I C -0.949 175.242 176.117 0.124 0.000 1.028 332 I CA -0.109 61.325 61.300 0.223 0.000 1.345 332 I CB 0.511 38.730 38.000 0.364 0.000 1.407 332 I HN 0.462 nan 8.210 nan 0.000 0.501 333 F N 5.167 125.168 119.950 0.085 0.000 2.483 333 F HA 0.579 5.107 4.527 0.001 0.000 0.329 333 F C 0.168 176.008 175.800 0.067 0.000 1.064 333 F CA -0.709 57.321 58.000 0.051 0.000 0.986 333 F CB 1.740 40.762 39.000 0.037 0.000 1.218 333 F HN -0.040 nan 8.300 nan 0.000 0.484 334 V N 1.852 121.891 119.914 0.209 0.000 2.658 334 V HA 0.205 4.325 4.120 0.001 0.000 0.259 334 V C -0.668 175.490 176.094 0.105 0.000 0.933 334 V CA -0.779 61.601 62.300 0.133 0.000 0.871 334 V CB 0.525 32.381 31.823 0.056 0.000 1.062 334 V HN 0.789 nan 8.190 nan 0.000 0.479 335 E N 2.022 122.294 120.200 0.121 0.000 2.259 335 E HA 0.649 5.000 4.350 0.001 0.000 0.257 335 E C -0.395 176.244 176.600 0.065 0.000 0.998 335 E CA -0.761 55.696 56.400 0.096 0.000 0.866 335 E CB 1.090 30.858 29.700 0.114 0.000 1.220 335 E HN 0.318 nan 8.360 nan 0.000 0.415 336 E N -1.027 119.204 120.200 0.052 0.000 2.440 336 E HA -0.217 4.133 4.350 0.001 0.000 0.246 336 E C -0.538 176.086 176.600 0.039 0.000 1.165 336 E CA 0.557 56.981 56.400 0.039 0.000 0.726 336 E CB -2.411 27.308 29.700 0.031 0.000 1.271 336 E HN 0.478 nan 8.360 nan 0.000 0.397 337 C N 1.331 120.656 119.300 0.041 0.000 2.597 337 C HA -0.028 4.433 4.460 0.001 0.000 0.412 337 C C 2.296 177.313 174.990 0.046 0.000 1.348 337 C CA 0.072 59.117 59.018 0.045 0.000 1.769 337 C CB 0.600 28.363 27.740 0.038 0.000 2.641 337 C HN 0.441 nan 8.230 nan 0.000 0.612 338 K N 1.569 122.007 120.400 0.063 0.000 1.991 338 K HA -0.166 4.154 4.320 0.001 0.000 0.212 338 K C 1.267 177.924 176.600 0.095 0.000 1.049 338 K CA 1.821 58.154 56.287 0.076 0.000 0.932 338 K CB -0.127 32.425 32.500 0.088 0.000 0.717 338 K HN 0.898 nan 8.250 nan 0.000 0.441 339 H N -0.459 118.615 119.070 0.008 0.000 2.885 339 H HA 0.208 4.764 4.556 0.001 0.000 0.237 339 H C -2.416 172.914 175.328 0.003 0.000 1.229 339 H CA -0.930 55.121 56.048 0.005 0.000 0.947 339 H CB 0.750 30.515 29.762 0.005 0.000 2.223 339 H HN 0.102 nan 8.280 nan 0.000 0.628 340 P HA 0.033 nan 4.420 nan 0.000 0.259 340 P C 1.169 178.396 177.300 -0.120 0.000 1.635 340 P CA -0.182 62.886 63.100 -0.055 0.000 1.199 340 P CB 0.125 31.805 31.700 -0.033 0.000 1.850 341 K N 2.344 122.661 120.400 -0.139 0.000 2.229 341 K HA -0.214 4.106 4.320 0.001 0.000 0.211 341 K C 0.402 176.973 176.600 -0.049 0.000 1.044 341 K CA 1.880 58.119 56.287 -0.080 0.000 0.935 341 K CB -1.054 31.436 32.500 -0.016 0.000 0.732 341 K HN 0.430 nan 8.250 nan 0.000 0.478 342 A N 0.589 123.389 122.820 -0.033 0.000 2.500 342 A HA 0.492 4.813 4.320 0.001 0.000 0.288 342 A C -1.446 176.124 177.584 -0.023 0.000 1.045 342 A CA -0.500 51.524 52.037 -0.021 0.000 0.830 342 A CB 1.930 20.923 19.000 -0.011 0.000 1.337 342 A HN 0.185 nan 8.150 nan 0.000 0.400 343 V N 2.809 122.707 119.914 -0.026 0.000 2.656 343 V HA 0.796 4.917 4.120 0.001 0.000 0.307 343 V C 0.081 176.159 176.094 -0.028 0.000 1.051 343 V CA -0.027 62.259 62.300 -0.024 0.000 0.893 343 V CB 2.139 33.950 31.823 -0.021 0.000 0.999 343 V HN 1.050 nan 8.190 nan 0.000 0.426 344 T N 7.142 121.676 114.554 -0.034 0.000 2.849 344 T HA 0.459 4.810 4.350 0.001 0.000 0.284 344 T C -0.167 174.519 174.700 -0.023 0.000 1.004 344 T CA -0.351 61.725 62.100 -0.040 0.000 1.021 344 T CB 0.940 69.767 68.868 -0.067 0.000 1.013 344 T HN 0.799 nan 8.240 nan 0.000 0.527 345 M N 2.727 122.312 119.600 -0.025 0.000 2.060 345 M HA 0.395 4.876 4.480 0.001 0.000 0.275 345 M C -1.191 175.103 176.300 -0.010 0.000 0.919 345 M CA -0.609 54.686 55.300 -0.009 0.000 0.970 345 M CB 0.743 33.340 32.600 -0.006 0.000 1.670 345 M HN 0.539 nan 8.290 nan 0.000 0.440 346 L N 5.604 126.829 121.223 0.003 0.000 2.559 346 L HA 0.197 4.538 4.340 0.001 0.000 0.282 346 L C -1.092 175.790 176.870 0.020 0.000 1.232 346 L CA 0.630 55.477 54.840 0.013 0.000 0.885 346 L CB 0.316 42.417 42.059 0.070 0.000 1.131 346 L HN 0.679 nan 8.230 nan 0.000 0.498 347 I N 5.084 125.663 120.570 0.015 0.000 2.468 347 I HA 0.417 4.587 4.170 0.001 0.000 0.285 347 I C -0.447 175.685 176.117 0.025 0.000 1.039 347 I CA -0.735 60.575 61.300 0.017 0.000 1.074 347 I CB 1.365 39.371 38.000 0.010 0.000 1.228 347 I HN 0.512 nan 8.210 nan 0.000 0.436 348 R N 4.210 124.727 120.500 0.030 0.000 2.674 348 R HA 0.932 5.273 4.340 0.001 0.000 0.266 348 R C 0.202 176.517 176.300 0.026 0.000 1.016 348 R CA -0.840 55.279 56.100 0.030 0.000 1.062 348 R CB 1.850 32.173 30.300 0.037 0.000 1.142 348 R HN 0.902 nan 8.270 nan 0.000 0.517 349 G N -0.347 108.468 108.800 0.026 0.000 2.373 349 G HA2 -0.078 3.883 3.960 0.001 0.000 0.250 349 G HA3 -0.078 3.883 3.960 0.001 0.000 0.250 349 G C 0.364 175.279 174.900 0.025 0.000 1.304 349 G CA -0.071 45.043 45.100 0.024 0.000 0.948 349 G HN 0.453 nan 8.290 nan 0.000 0.474 350 T N -1.680 112.890 114.554 0.026 0.000 2.612 350 T HA 0.343 4.693 4.350 0.001 0.000 0.251 350 T C 1.259 175.972 174.700 0.022 0.000 1.090 350 T CA 2.087 64.202 62.100 0.024 0.000 1.198 350 T CB -0.505 68.380 68.868 0.028 0.000 0.878 350 T HN 0.914 nan 8.240 nan 0.000 0.401 351 T N 0.166 114.736 114.554 0.027 0.000 2.926 351 T HA 0.343 4.693 4.350 0.001 0.000 0.289 351 T C 0.943 175.660 174.700 0.029 0.000 1.054 351 T CA -0.188 61.922 62.100 0.017 0.000 1.015 351 T CB 1.623 70.487 68.868 -0.007 0.000 1.167 351 T HN 0.623 nan 8.240 nan 0.000 0.526 352 E N 1.083 121.289 120.200 0.009 0.000 2.689 352 E HA -0.445 3.905 4.350 0.001 0.000 0.247 352 E C 1.217 177.868 176.600 0.085 0.000 1.031 352 E CA 2.640 59.049 56.400 0.015 0.000 1.400 352 E CB -0.982 28.719 29.700 0.003 0.000 1.296 352 E HN 0.869 nan 8.360 nan 0.000 0.475 353 H N 0.299 119.370 119.070 0.003 0.000 2.363 353 H HA -0.018 4.539 4.556 0.001 0.000 0.301 353 H C 2.558 177.888 175.328 0.003 0.000 1.074 353 H CA 0.913 56.962 56.048 0.003 0.000 1.354 353 H CB 0.089 29.852 29.762 0.003 0.000 1.397 353 H HN 0.174 nan 8.280 nan 0.000 0.516 354 V N 1.768 121.768 119.914 0.143 0.000 2.236 354 V HA -0.353 3.768 4.120 0.001 0.000 0.255 354 V C 2.042 178.162 176.094 0.044 0.000 1.068 354 V CA 2.446 64.786 62.300 0.066 0.000 1.044 354 V CB -0.583 31.267 31.823 0.044 0.000 0.653 354 V HN 0.390 nan 8.190 nan 0.000 0.448 355 I N -0.292 120.308 120.570 0.050 0.000 2.090 355 I HA -0.234 3.937 4.170 0.001 0.000 0.236 355 I C 2.585 178.721 176.117 0.032 0.000 1.064 355 I CA 2.303 63.624 61.300 0.034 0.000 1.324 355 I CB -1.082 36.936 38.000 0.031 0.000 1.044 355 I HN 0.357 nan 8.210 nan 0.000 0.399 356 E N 0.791 121.021 120.200 0.051 0.000 2.130 356 E HA -0.312 4.038 4.350 0.001 0.000 0.196 356 E C 2.041 178.652 176.600 0.019 0.000 0.998 356 E CA 1.852 58.278 56.400 0.044 0.000 0.806 356 E CB -0.172 29.568 29.700 0.067 0.000 0.738 356 E HN 0.481 nan 8.360 nan 0.000 0.459 357 E N 0.677 120.883 120.200 0.010 0.000 2.072 357 E HA -0.131 4.219 4.350 0.001 0.000 0.191 357 E C 1.885 178.481 176.600 -0.008 0.000 0.985 357 E CA 0.926 57.315 56.400 -0.018 0.000 0.801 357 E CB -0.050 29.623 29.700 -0.046 0.000 0.750 357 E HN 0.030 nan 8.360 nan 0.000 0.452 358 V N 0.748 120.663 119.914 0.002 0.000 3.141 358 V HA -0.082 4.039 4.120 0.001 0.000 0.265 358 V C 2.068 178.163 176.094 0.001 0.000 1.126 358 V CA 1.290 63.592 62.300 0.003 0.000 1.141 358 V CB -0.512 31.316 31.823 0.007 0.000 0.743 358 V HN 0.466 nan 8.190 nan 0.000 0.492 359 A N 1.104 123.925 122.820 0.001 0.000 1.898 359 A HA -0.121 4.200 4.320 0.001 0.000 0.214 359 A C 2.314 179.895 177.584 -0.005 0.000 1.183 359 A CA 1.192 53.228 52.037 -0.002 0.000 0.622 359 A CB -0.305 18.694 19.000 -0.002 0.000 0.824 359 A HN 0.563 nan 8.150 nan 0.000 0.444 360 R N 0.457 120.953 120.500 -0.007 0.000 2.115 360 R HA -0.160 4.181 4.340 0.001 0.000 0.239 360 R C 2.197 178.491 176.300 -0.010 0.000 1.133 360 R CA 1.722 57.815 56.100 -0.011 0.000 0.935 360 R CB -0.894 29.398 30.300 -0.014 0.000 0.853 360 R HN 0.382 nan 8.270 nan 0.000 0.433 361 A N 0.940 123.754 122.820 -0.009 0.000 2.121 361 A HA -0.036 4.285 4.320 0.001 0.000 0.218 361 A C 2.277 179.858 177.584 -0.004 0.000 1.154 361 A CA 1.249 53.282 52.037 -0.006 0.000 0.679 361 A CB -0.317 18.680 19.000 -0.005 0.000 0.795 361 A HN 0.254 nan 8.150 nan 0.000 0.458 362 V N -0.443 119.469 119.914 -0.004 0.000 2.426 362 V HA -0.097 4.023 4.120 0.001 0.000 0.242 362 V C 1.862 177.952 176.094 -0.006 0.000 1.036 362 V CA 2.353 64.651 62.300 -0.005 0.000 1.044 362 V CB -0.396 31.424 31.823 -0.005 0.000 0.688 362 V HN 0.462 nan 8.190 nan 0.000 0.462 363 D N 0.503 120.898 120.400 -0.007 0.000 2.144 363 D HA -0.144 4.497 4.640 0.001 0.000 0.199 363 D C 1.807 178.103 176.300 -0.007 0.000 0.984 363 D CA 1.641 55.636 54.000 -0.008 0.000 0.834 363 D CB -0.250 40.545 40.800 -0.008 0.000 0.955 363 D HN 0.563 nan 8.370 nan 0.000 0.465 364 D N -0.194 120.201 120.400 -0.007 0.000 2.269 364 D HA -0.017 4.623 4.640 0.001 0.000 0.208 364 D C 1.711 178.008 176.300 -0.005 0.000 0.963 364 D CA 0.583 54.579 54.000 -0.006 0.000 0.864 364 D CB 0.039 40.835 40.800 -0.007 0.000 0.936 364 D HN 0.160 nan 8.370 nan 0.000 0.505 365 A N 0.390 123.207 122.820 -0.004 0.000 2.132 365 A HA 0.050 4.371 4.320 0.001 0.000 0.213 365 A C 2.195 179.777 177.584 -0.004 0.000 1.154 365 A CA 0.218 52.254 52.037 -0.003 0.000 0.753 365 A CB 0.050 19.049 19.000 -0.002 0.000 0.826 365 A HN 0.106 nan 8.150 nan 0.000 0.469 366 V N -0.610 119.301 119.914 -0.005 0.000 3.406 366 V HA 0.008 4.129 4.120 0.001 0.000 0.263 366 V C 2.410 178.501 176.094 -0.006 0.000 1.172 366 V CA 1.370 63.666 62.300 -0.006 0.000 1.140 366 V CB -0.155 31.663 31.823 -0.008 0.000 0.784 366 V HN 0.566 nan 8.190 nan 0.000 0.467 367 G N 0.509 109.306 108.800 -0.005 0.000 2.441 367 G HA2 -0.108 3.853 3.960 0.001 0.000 0.212 367 G HA3 -0.108 3.853 3.960 0.001 0.000 0.212 367 G C 1.672 176.569 174.900 -0.004 0.000 1.164 367 G CA 1.105 46.202 45.100 -0.005 0.000 0.811 367 G HN 0.483 nan 8.290 nan 0.000 0.535 368 V N -0.352 119.560 119.914 -0.003 0.000 2.548 368 V HA -0.071 4.050 4.120 0.001 0.000 0.249 368 V C 2.562 178.655 176.094 -0.002 0.000 1.055 368 V CA 1.666 63.964 62.300 -0.002 0.000 1.065 368 V CB -0.530 31.291 31.823 -0.002 0.000 0.681 368 V HN 0.110 nan 8.190 nan 0.000 0.462 369 V N 1.983 121.896 119.914 -0.002 0.000 2.453 369 V HA 0.002 4.123 4.120 0.001 0.000 0.247 369 V C 3.053 179.145 176.094 -0.003 0.000 1.048 369 V CA 1.851 64.150 62.300 -0.003 0.000 1.049 369 V CB -1.715 30.107 31.823 -0.003 0.000 0.672 369 V HN 0.614 nan 8.190 nan 0.000 0.457 370 G N 0.397 109.194 108.800 -0.004 0.000 2.626 370 G HA2 -0.396 3.564 3.960 0.001 0.000 0.224 370 G HA3 -0.396 3.564 3.960 0.001 0.000 0.224 370 G C 1.677 176.575 174.900 -0.003 0.000 1.095 370 G CA 1.747 46.845 45.100 -0.004 0.000 0.738 370 G HN 0.764 nan 8.290 nan 0.000 0.600 371 C N -1.281 118.018 119.300 -0.002 0.000 2.634 371 C HA 0.390 4.850 4.460 0.001 0.000 0.268 371 C C 2.126 177.115 174.990 -0.001 0.000 1.322 371 C CA 1.000 60.017 59.018 -0.002 0.000 1.737 371 C CB -0.554 27.185 27.740 -0.002 0.000 1.976 371 C HN 0.409 nan 8.230 nan 0.000 0.547 372 T N -1.696 112.857 114.554 -0.001 0.000 3.308 372 T HA 0.446 4.796 4.350 0.001 0.000 0.270 372 T C 0.931 175.630 174.700 -0.002 0.000 0.992 372 T CA -0.186 61.914 62.100 -0.001 0.000 0.931 372 T CB -0.594 68.274 68.868 -0.000 0.000 1.142 372 T HN 0.529 nan 8.240 nan 0.000 0.525 373 I N 0.415 120.984 120.570 -0.002 0.000 2.512 373 I HA 0.141 4.312 4.170 0.001 0.000 0.247 373 I C 2.222 178.338 176.117 -0.002 0.000 1.094 373 I CA 0.506 61.805 61.300 -0.002 0.000 1.427 373 I CB -0.116 37.882 38.000 -0.003 0.000 1.149 373 I HN 0.365 nan 8.210 nan 0.000 0.438 374 E N -0.195 120.004 120.200 -0.002 0.000 2.413 374 E HA 0.135 4.485 4.350 0.001 0.000 0.203 374 E C -0.109 176.490 176.600 -0.001 0.000 0.957 374 E CA 0.186 56.585 56.400 -0.002 0.000 0.950 374 E CB 0.901 30.600 29.700 -0.002 0.000 0.957 374 E HN 0.273 nan 8.360 nan 0.000 0.497 375 D N 0.367 120.766 120.400 -0.001 0.000 2.502 375 D HA 0.319 4.959 4.640 0.001 0.000 0.249 375 D C -0.497 175.802 176.300 -0.001 0.000 1.092 375 D CA -0.399 53.600 54.000 -0.001 0.000 0.839 375 D CB 1.882 42.681 40.800 -0.002 0.000 1.264 375 D HN 0.043 nan 8.370 nan 0.000 0.511 376 G N 2.998 111.798 108.800 -0.001 0.000 4.649 376 G HA2 0.358 4.319 3.960 0.001 0.000 0.312 376 G HA3 0.358 4.319 3.960 0.001 0.000 0.312 376 G C 0.048 174.948 174.900 0.001 0.000 1.403 376 G CA -0.320 44.779 45.100 -0.000 0.000 1.248 376 G HN 0.167 nan 8.290 nan 0.000 0.581 377 R N 0.476 120.977 120.500 0.001 0.000 5.532 377 R HA 0.075 4.415 4.340 0.001 0.000 0.254 377 R C -1.339 174.963 176.300 0.003 0.000 0.953 377 R CA -0.433 55.668 56.100 0.002 0.000 1.518 377 R CB 0.091 30.392 30.300 0.001 0.000 1.203 377 R HN 0.562 nan 8.270 nan 0.000 0.691 378 I N -0.606 119.968 120.570 0.006 0.000 2.828 378 I HA 0.696 4.867 4.170 0.001 0.000 0.302 378 I C -0.973 175.151 176.117 0.012 0.000 1.101 378 I CA -1.090 60.214 61.300 0.008 0.000 1.031 378 I CB 2.729 40.734 38.000 0.008 0.000 1.231 378 I HN 0.193 nan 8.210 nan 0.000 0.427 379 V N 4.077 123.998 119.914 0.013 0.000 2.376 379 V HA 0.251 4.372 4.120 0.001 0.000 0.287 379 V C 0.407 176.515 176.094 0.023 0.000 1.015 379 V CA -0.367 61.943 62.300 0.018 0.000 0.834 379 V CB 1.672 33.504 31.823 0.016 0.000 1.001 379 V HN 0.989 nan 8.190 nan 0.000 0.428 380 S N 4.808 120.531 115.700 0.038 0.000 3.636 380 S HA -0.105 4.365 4.470 0.001 0.000 0.142 380 S C 0.938 175.559 174.600 0.034 0.000 0.328 380 S CA 0.690 58.922 58.200 0.053 0.000 1.415 380 S CB -1.460 61.809 63.200 0.114 0.000 1.171 380 S HN 2.319 nan 8.310 nan 0.000 0.260 381 G N 1.731 110.545 108.800 0.022 0.000 2.515 381 G HA2 0.086 4.047 3.960 0.001 0.000 0.208 381 G HA3 0.086 4.047 3.960 0.001 0.000 0.208 381 G C 0.324 175.233 174.900 0.016 0.000 0.737 381 G CA -0.406 44.707 45.100 0.022 0.000 0.987 381 G HN 1.559 nan 8.290 nan 0.000 0.307 382 G N 0.948 109.745 108.800 -0.004 0.000 2.469 382 G HA2 0.597 4.557 3.960 0.001 0.000 0.293 382 G HA3 0.597 4.557 3.960 0.001 0.000 0.293 382 G C 1.083 175.973 174.900 -0.017 0.000 0.982 382 G CA 0.579 45.669 45.100 -0.017 0.000 1.401 382 G HN 2.072 nan 8.290 nan 0.000 0.453 383 G N 0.570 109.365 108.800 -0.008 0.000 4.569 383 G HA2 0.019 3.980 3.960 0.001 0.000 0.221 383 G HA3 0.019 3.980 3.960 0.001 0.000 0.221 383 G C 0.631 175.515 174.900 -0.026 0.000 0.778 383 G CA 0.488 45.577 45.100 -0.018 0.000 1.115 383 G HN 0.541 nan 8.290 nan 0.000 0.774 384 S N -0.634 115.054 115.700 -0.020 0.000 2.613 384 S HA 0.109 4.580 4.470 0.001 0.000 0.235 384 S C 2.217 176.657 174.600 -0.267 0.000 1.073 384 S CA 1.095 59.245 58.200 -0.083 0.000 0.899 384 S CB 0.263 63.643 63.200 0.300 0.000 0.818 384 S HN 0.258 nan 8.310 nan 0.000 0.484 385 T N 3.029 117.513 114.554 -0.116 0.000 2.915 385 T HA -0.063 4.288 4.350 0.001 0.000 0.269 385 T C 1.689 176.309 174.700 -0.133 0.000 1.071 385 T CA 1.117 63.153 62.100 -0.108 0.000 1.132 385 T CB -0.123 68.718 68.868 -0.044 0.000 0.878 385 T HN 0.411 nan 8.240 nan 0.000 0.479 386 E N 1.452 121.577 120.200 -0.125 0.000 2.014 386 E HA -0.056 4.295 4.350 0.001 0.000 0.190 386 E C 2.725 179.263 176.600 -0.104 0.000 0.980 386 E CA 1.161 57.506 56.400 -0.091 0.000 0.807 386 E CB -1.378 28.277 29.700 -0.075 0.000 0.770 386 E HN 0.515 nan 8.360 nan 0.000 0.451 387 V N 0.750 120.583 119.914 -0.136 0.000 2.392 387 V HA -0.256 3.865 4.120 0.001 0.000 0.249 387 V C 2.259 178.263 176.094 -0.150 0.000 1.059 387 V CA 2.561 64.786 62.300 -0.125 0.000 1.051 387 V CB -0.562 31.203 31.823 -0.098 0.000 0.658 387 V HN 0.146 nan 8.190 nan 0.000 0.455 388 E N 0.350 120.385 120.200 -0.275 0.000 2.170 388 E HA 0.003 4.354 4.350 0.001 0.000 0.191 388 E C 1.998 178.538 176.600 -0.101 0.000 0.981 388 E CA 1.145 57.426 56.400 -0.198 0.000 0.830 388 E CB -0.417 29.073 29.700 -0.351 0.000 0.775 388 E HN 0.673 nan 8.360 nan 0.000 0.470 389 L N 0.360 121.524 121.223 -0.098 0.000 2.083 389 L HA -0.183 4.158 4.340 0.001 0.000 0.209 389 L C 2.557 179.411 176.870 -0.027 0.000 1.083 389 L CA 1.353 56.161 54.840 -0.052 0.000 0.752 389 L CB -0.651 41.385 42.059 -0.039 0.000 0.899 389 L HN 0.254 nan 8.230 nan 0.000 0.433 390 S N 1.233 116.915 115.700 -0.030 0.000 2.365 390 S HA -0.285 4.186 4.470 0.001 0.000 0.221 390 S C 2.031 176.637 174.600 0.009 0.000 1.037 390 S CA 2.145 60.341 58.200 -0.007 0.000 1.060 390 S CB -0.244 62.944 63.200 -0.020 0.000 0.974 390 S HN 0.469 nan 8.310 nan 0.000 0.427 391 M N -0.062 119.538 119.600 -0.000 0.000 2.460 391 M HA 0.113 4.594 4.480 0.001 0.000 0.263 391 M C 2.064 178.381 176.300 0.028 0.000 1.071 391 M CA 1.255 56.564 55.300 0.016 0.000 1.096 391 M CB -0.335 32.274 32.600 0.015 0.000 1.408 391 M HN 0.163 nan 8.290 nan 0.000 0.463 392 K N 1.284 121.697 120.400 0.022 0.000 2.099 392 K HA 0.150 4.470 4.320 0.001 0.000 0.203 392 K C 1.874 178.514 176.600 0.066 0.000 1.047 392 K CA 0.892 57.199 56.287 0.033 0.000 0.963 392 K CB -0.026 32.478 32.500 0.007 0.000 0.759 392 K HN 0.301 nan 8.250 nan 0.000 0.451 393 L N 0.465 121.721 121.223 0.055 0.000 2.291 393 L HA -0.056 4.284 4.340 0.001 0.000 0.214 393 L C 2.471 179.436 176.870 0.157 0.000 1.120 393 L CA 0.717 55.614 54.840 0.095 0.000 0.799 393 L CB -0.199 41.865 42.059 0.010 0.000 0.925 393 L HN 0.094 nan 8.230 nan 0.000 0.446 394 R N 0.649 121.207 120.500 0.097 0.000 2.062 394 R HA -0.104 4.237 4.340 0.001 0.000 0.229 394 R C 1.983 178.327 176.300 0.072 0.000 1.128 394 R CA 1.176 57.321 56.100 0.075 0.000 0.960 394 R CB 0.014 30.342 30.300 0.047 0.000 0.855 394 R HN 0.334 nan 8.270 nan 0.000 0.432 395 E N -0.800 119.446 120.200 0.077 0.000 2.482 395 E HA -0.182 4.168 4.350 0.001 0.000 0.196 395 E C 0.894 177.541 176.600 0.078 0.000 1.047 395 E CA 0.495 56.931 56.400 0.060 0.000 0.869 395 E CB 0.087 29.814 29.700 0.046 0.000 0.836 395 E HN 0.450 nan 8.360 nan 0.000 0.520 396 Y N 0.783 121.083 120.300 -0.000 0.000 2.517 396 Y HA 0.204 4.754 4.550 0.001 0.000 0.281 396 Y C 2.073 177.973 175.900 0.001 0.000 1.125 396 Y CA 0.486 58.584 58.100 -0.004 0.000 1.283 396 Y CB 0.084 38.538 38.460 -0.011 0.000 1.042 396 Y HN -0.034 nan 8.280 nan 0.000 0.547 397 A N 0.156 122.930 122.820 -0.077 0.000 1.930 397 A HA -0.045 4.276 4.320 0.001 0.000 0.215 397 A C 1.899 179.399 177.584 -0.140 0.000 1.176 397 A CA 1.310 53.273 52.037 -0.124 0.000 0.632 397 A CB -0.381 18.628 19.000 0.015 0.000 0.819 397 A HN 0.514 nan 8.150 nan 0.000 0.445 398 E N -0.137 120.009 120.200 -0.090 0.000 2.502 398 E HA 0.014 4.364 4.350 0.001 0.000 0.194 398 E C 1.835 178.373 176.600 -0.103 0.000 1.062 398 E CA 0.243 56.597 56.400 -0.077 0.000 0.867 398 E CB -0.106 29.572 29.700 -0.037 0.000 0.888 398 E HN 0.613 nan 8.360 nan 0.000 0.510 399 G N 2.458 111.158 108.800 -0.167 0.000 2.433 399 G HA2 -0.266 3.694 3.960 0.001 0.000 0.216 399 G HA3 -0.266 3.694 3.960 0.001 0.000 0.216 399 G C 1.701 176.465 174.900 -0.227 0.000 1.186 399 G CA 0.978 45.952 45.100 -0.210 0.000 0.779 399 G HN 0.331 nan 8.290 nan 0.000 0.543 400 I N -1.846 118.531 120.570 -0.321 0.000 2.133 400 I HA 0.112 4.283 4.170 0.001 0.000 0.238 400 I C 1.302 177.347 176.117 -0.121 0.000 1.074 400 I CA 0.904 62.067 61.300 -0.229 0.000 1.342 400 I CB -0.937 36.909 38.000 -0.257 0.000 1.053 400 I HN 0.280 nan 8.210 nan 0.000 0.404 401 S N -0.206 115.435 115.700 -0.098 0.000 3.349 401 S HA 0.152 4.623 4.470 0.001 0.000 0.854 401 S C 0.115 174.692 174.600 -0.038 0.000 1.140 401 S CA 0.873 59.040 58.200 -0.056 0.000 1.044 401 S CB -1.260 61.913 63.200 -0.044 0.000 0.716 401 S HN 2.232 nan 8.310 nan 0.000 0.271 402 G N 3.986 112.771 108.800 -0.025 0.000 2.508 402 G HA2 -0.205 3.756 3.960 0.001 0.000 0.220 402 G HA3 -0.205 3.756 3.960 0.001 0.000 0.220 402 G C 0.155 175.049 174.900 -0.011 0.000 1.287 402 G CA 0.735 45.825 45.100 -0.016 0.000 0.916 402 G HN 1.581 nan 8.290 nan 0.000 0.574 403 R N 0.535 121.028 120.500 -0.010 0.000 2.236 403 R HA 0.213 4.554 4.340 0.001 0.000 0.208 403 R C 1.732 178.026 176.300 -0.010 0.000 1.036 403 R CA 1.541 57.635 56.100 -0.009 0.000 1.001 403 R CB -0.086 30.208 30.300 -0.010 0.000 0.896 403 R HN 0.405 nan 8.270 nan 0.000 0.464 404 E N 1.348 121.542 120.200 -0.010 0.000 2.478 404 E HA -0.135 4.215 4.350 0.001 0.000 0.198 404 E C 1.717 178.339 176.600 0.036 0.000 1.046 404 E CA 0.617 57.020 56.400 0.006 0.000 0.870 404 E CB 0.001 29.705 29.700 0.007 0.000 0.818 404 E HN 0.439 nan 8.360 nan 0.000 0.527 405 Q N -0.021 119.788 119.800 0.015 0.000 2.020 405 Q HA -0.129 4.212 4.340 0.001 0.000 0.198 405 Q C 1.305 177.344 176.000 0.065 0.000 0.974 405 Q CA 0.987 56.800 55.803 0.018 0.000 0.829 405 Q CB 0.055 28.793 28.738 -0.001 0.000 0.894 405 Q HN 0.249 nan 8.270 nan 0.000 0.433 406 L N 0.518 121.779 121.223 0.064 0.000 2.456 406 L HA -0.028 4.313 4.340 0.001 0.000 0.224 406 L C 2.004 178.976 176.870 0.170 0.000 1.148 406 L CA 1.261 56.155 54.840 0.089 0.000 0.825 406 L CB -0.557 41.534 42.059 0.053 0.000 0.937 406 L HN 0.252 nan 8.230 nan 0.000 0.450 407 A N -0.376 122.581 122.820 0.228 0.000 1.871 407 A HA -0.004 4.317 4.320 0.001 0.000 0.211 407 A C 2.104 180.052 177.584 0.607 0.000 1.207 407 A CA 1.179 53.560 52.037 0.573 0.000 0.620 407 A CB -0.662 18.454 19.000 0.193 0.000 0.860 407 A HN 0.210 nan 8.150 nan 0.000 0.450 408 V N -2.408 117.695 119.914 0.315 0.000 3.461 408 V HA 0.095 4.216 4.120 0.001 0.000 0.267 408 V C 1.870 178.068 176.094 0.174 0.000 1.186 408 V CA 1.273 63.712 62.300 0.232 0.000 1.154 408 V CB -0.823 31.149 31.823 0.248 0.000 0.802 408 V HN 0.439 nan 8.190 nan 0.000 0.474 409 R N 0.851 121.442 120.500 0.152 0.000 2.119 409 R HA 0.234 4.574 4.340 0.001 0.000 0.222 409 R C 2.437 178.793 176.300 0.094 0.000 1.088 409 R CA 1.348 57.511 56.100 0.105 0.000 0.984 409 R CB -0.376 29.974 30.300 0.083 0.000 0.884 409 R HN 0.600 nan 8.270 nan 0.000 0.447 410 A N 0.288 123.180 122.820 0.121 0.000 1.930 410 A HA -0.101 4.219 4.320 0.001 0.000 0.215 410 A C 1.666 179.249 177.584 -0.003 0.000 1.176 410 A CA 0.636 52.709 52.037 0.060 0.000 0.632 410 A CB -0.324 18.752 19.000 0.128 0.000 0.819 410 A HN 0.316 nan 8.150 nan 0.000 0.445 411 F N 0.540 120.367 119.950 -0.206 0.000 2.748 411 F HA 0.312 4.840 4.527 0.001 0.000 0.299 411 F C 1.997 177.709 175.800 -0.147 0.000 1.154 411 F CA 0.021 57.851 58.000 -0.284 0.000 1.446 411 F CB -0.281 38.434 39.000 -0.474 0.000 1.112 411 F HN 0.239 nan 8.300 nan 0.000 0.584 412 A N -0.405 122.492 122.820 0.129 0.000 1.881 412 A HA 0.019 4.340 4.320 0.001 0.000 0.210 412 A C 1.774 179.371 177.584 0.022 0.000 1.239 412 A CA 1.073 53.159 52.037 0.082 0.000 0.629 412 A CB -0.767 18.273 19.000 0.068 0.000 0.906 412 A HN 0.189 nan 8.150 nan 0.000 0.460 413 D N 0.150 120.558 120.400 0.014 0.000 2.371 413 D HA 0.180 4.821 4.640 0.001 0.000 0.221 413 D C 1.903 178.177 176.300 -0.042 0.000 0.986 413 D CA 0.866 54.860 54.000 -0.010 0.000 0.899 413 D CB 0.035 40.834 40.800 -0.001 0.000 0.902 413 D HN 0.392 nan 8.370 nan 0.000 0.530 414 A N 0.522 123.295 122.820 -0.078 0.000 1.845 414 A HA -0.174 4.146 4.320 0.001 0.000 0.215 414 A C 2.110 179.617 177.584 -0.129 0.000 1.195 414 A CA 1.733 53.685 52.037 -0.143 0.000 0.616 414 A CB -0.956 17.925 19.000 -0.199 0.000 0.832 414 A HN 0.334 nan 8.150 nan 0.000 0.443 415 L N -1.329 119.836 121.223 -0.097 0.000 2.463 415 L HA -0.414 3.927 4.340 0.001 0.000 0.225 415 L C 1.999 178.836 176.870 -0.055 0.000 1.130 415 L CA 2.770 57.578 54.840 -0.052 0.000 0.859 415 L CB -1.416 40.634 42.059 -0.016 0.000 0.936 415 L HN 0.428 nan 8.230 nan 0.000 0.452 416 E N 0.023 120.192 120.200 -0.052 0.000 2.358 416 E HA -0.039 4.311 4.350 0.001 0.000 0.195 416 E C 2.303 178.874 176.600 -0.049 0.000 1.010 416 E CA 1.191 57.564 56.400 -0.045 0.000 0.856 416 E CB 0.063 29.741 29.700 -0.035 0.000 0.795 416 E HN 0.615 nan 8.360 nan 0.000 0.504 417 V N 1.276 121.154 119.914 -0.060 0.000 2.490 417 V HA -0.260 3.860 4.120 0.001 0.000 0.250 417 V C 2.271 178.332 176.094 -0.056 0.000 1.061 417 V CA 1.006 63.270 62.300 -0.060 0.000 1.064 417 V CB -0.623 31.159 31.823 -0.068 0.000 0.670 417 V HN 0.190 nan 8.190 nan 0.000 0.461 418 I N 0.542 121.077 120.570 -0.059 0.000 2.113 418 I HA -0.098 4.072 4.170 0.001 0.000 0.238 418 I C 0.212 176.300 176.117 -0.048 0.000 1.070 418 I CA 1.391 62.659 61.300 -0.053 0.000 1.332 418 I CB -2.997 34.971 38.000 -0.052 0.000 1.044 418 I HN 0.330 nan 8.210 nan 0.000 0.402 419 P HA -0.069 nan 4.420 nan 0.000 0.222 419 P C 1.832 179.109 177.300 -0.038 0.000 1.147 419 P CA 1.197 64.272 63.100 -0.041 0.000 0.790 419 P CB -0.060 31.617 31.700 -0.038 0.000 0.780 420 R N -0.467 120.010 120.500 -0.037 0.000 2.070 420 R HA -0.064 4.276 4.340 0.001 0.000 0.227 420 R C 2.314 178.593 176.300 -0.036 0.000 1.147 420 R CA 2.355 58.435 56.100 -0.033 0.000 0.924 420 R CB -1.721 28.559 30.300 -0.032 0.000 0.827 420 R HN 0.278 nan 8.270 nan 0.000 0.431 421 T N 0.474 115.005 114.554 -0.038 0.000 2.833 421 T HA -0.044 4.306 4.350 0.001 0.000 0.269 421 T C 2.125 176.801 174.700 -0.041 0.000 1.054 421 T CA 0.862 62.940 62.100 -0.037 0.000 1.135 421 T CB -0.435 68.410 68.868 -0.037 0.000 0.869 421 T HN 0.110 nan 8.240 nan 0.000 0.466 422 L N 0.778 121.973 121.223 -0.047 0.000 2.187 422 L HA -0.074 4.266 4.340 0.001 0.000 0.213 422 L C 3.204 180.038 176.870 -0.059 0.000 1.100 422 L CA 1.390 56.196 54.840 -0.058 0.000 0.765 422 L CB -0.933 41.089 42.059 -0.063 0.000 0.904 422 L HN 0.434 nan 8.230 nan 0.000 0.437 423 A N -0.474 122.318 122.820 -0.048 0.000 1.903 423 A HA -0.153 4.168 4.320 0.001 0.000 0.213 423 A C 2.275 179.839 177.584 -0.033 0.000 1.185 423 A CA 1.071 53.084 52.037 -0.040 0.000 0.628 423 A CB -0.223 18.759 19.000 -0.030 0.000 0.830 423 A HN 0.362 nan 8.150 nan 0.000 0.446 424 E N -0.208 119.974 120.200 -0.030 0.000 2.122 424 E HA -0.114 4.237 4.350 0.001 0.000 0.190 424 E C 1.584 178.170 176.600 -0.024 0.000 0.977 424 E CA 0.457 56.842 56.400 -0.024 0.000 0.820 424 E CB -0.060 29.625 29.700 -0.024 0.000 0.770 424 E HN 0.512 nan 8.360 nan 0.000 0.462 425 N N 0.948 119.630 118.700 -0.030 0.000 2.091 425 N HA -0.204 4.536 4.740 0.001 0.000 0.193 425 N C 1.441 176.935 175.510 -0.027 0.000 1.021 425 N CA 1.450 54.482 53.050 -0.030 0.000 0.862 425 N CB -0.252 38.213 38.487 -0.037 0.000 1.018 425 N HN 0.098 nan 8.380 nan 0.000 0.429 426 A N 0.543 123.343 122.820 -0.034 0.000 2.265 426 A HA 0.307 4.628 4.320 0.001 0.000 0.213 426 A C 1.517 179.093 177.584 -0.014 0.000 1.255 426 A CA 0.598 52.618 52.037 -0.029 0.000 0.862 426 A CB -0.877 18.094 19.000 -0.049 0.000 0.852 426 A HN 0.339 nan 8.150 nan 0.000 0.484 427 G N -0.746 108.046 108.800 -0.013 0.000 2.453 427 G HA2 -0.262 3.698 3.960 0.001 0.000 0.313 427 G HA3 -0.262 3.698 3.960 0.001 0.000 0.313 427 G C 0.326 175.221 174.900 -0.009 0.000 0.948 427 G CA 0.869 45.964 45.100 -0.009 0.000 0.846 427 G HN 0.461 nan 8.290 nan 0.000 0.512 428 L N -0.500 120.716 121.223 -0.012 0.000 2.490 428 L HA 0.580 4.920 4.340 0.001 0.000 0.245 428 L C 0.296 177.161 176.870 -0.009 0.000 1.185 428 L CA -0.974 53.861 54.840 -0.009 0.000 0.813 428 L CB 0.780 42.831 42.059 -0.013 0.000 1.233 428 L HN 0.080 nan 8.230 nan 0.000 0.489 429 D N 0.244 120.641 120.400 -0.006 0.000 2.380 429 D HA 0.376 5.016 4.640 0.001 0.000 0.230 429 D C 0.735 177.031 176.300 -0.007 0.000 1.154 429 D CA 0.370 54.367 54.000 -0.006 0.000 0.859 429 D CB 1.460 42.258 40.800 -0.004 0.000 1.045 429 D HN 0.617 nan 8.370 nan 0.000 0.495 430 A N 4.169 126.982 122.820 -0.010 0.000 1.873 430 A HA -0.245 4.076 4.320 0.001 0.000 0.218 430 A C 2.138 179.717 177.584 -0.008 0.000 1.193 430 A CA 1.634 53.664 52.037 -0.012 0.000 0.629 430 A CB -0.698 18.292 19.000 -0.016 0.000 0.826 430 A HN 0.726 nan 8.150 nan 0.000 0.447 431 I N -0.087 120.479 120.570 -0.006 0.000 2.185 431 I HA -0.286 3.885 4.170 0.001 0.000 0.246 431 I C 2.020 178.136 176.117 -0.001 0.000 1.088 431 I CA 2.589 63.886 61.300 -0.004 0.000 1.347 431 I CB -0.371 37.627 38.000 -0.003 0.000 1.041 431 I HN 0.446 nan 8.210 nan 0.000 0.415 432 E N 0.628 120.828 120.200 -0.001 0.000 2.106 432 E HA -0.164 4.186 4.350 0.001 0.000 0.192 432 E C 2.397 178.999 176.600 0.003 0.000 0.984 432 E CA 1.693 58.094 56.400 0.002 0.000 0.806 432 E CB -0.269 29.433 29.700 0.003 0.000 0.750 432 E HN 0.617 nan 8.360 nan 0.000 0.458 433 I N 1.177 121.748 120.570 0.001 0.000 2.202 433 I HA -0.244 3.926 4.170 0.001 0.000 0.242 433 I C 2.249 178.369 176.117 0.005 0.000 1.091 433 I CA 0.761 62.063 61.300 0.002 0.000 1.368 433 I CB -0.049 37.949 38.000 -0.004 0.000 1.058 433 I HN 0.103 nan 8.210 nan 0.000 0.410 434 L N 0.118 121.341 121.223 0.001 0.000 2.291 434 L HA -0.095 4.245 4.340 0.001 0.000 0.214 434 L C 2.659 179.533 176.870 0.007 0.000 1.120 434 L CA 1.290 56.131 54.840 0.001 0.000 0.799 434 L CB -1.097 40.959 42.059 -0.006 0.000 0.925 434 L HN 0.272 nan 8.230 nan 0.000 0.446 435 V N -0.968 118.950 119.914 0.008 0.000 2.626 435 V HA -0.241 3.879 4.120 0.001 0.000 0.252 435 V C 2.398 178.502 176.094 0.016 0.000 1.067 435 V CA 1.451 63.758 62.300 0.011 0.000 1.081 435 V CB -0.231 31.596 31.823 0.008 0.000 0.686 435 V HN 0.387 nan 8.190 nan 0.000 0.468 436 K N 0.142 120.552 120.400 0.016 0.000 2.007 436 K HA 0.015 4.335 4.320 0.001 0.000 0.206 436 K C 2.110 178.729 176.600 0.031 0.000 1.047 436 K CA 1.605 57.904 56.287 0.019 0.000 0.937 436 K CB -0.461 32.048 32.500 0.016 0.000 0.718 436 K HN 0.440 nan 8.250 nan 0.000 0.438 437 V N 1.416 121.352 119.914 0.037 0.000 2.244 437 V HA -0.224 3.896 4.120 0.001 0.000 0.244 437 V C 2.288 178.439 176.094 0.094 0.000 1.042 437 V CA 1.517 63.858 62.300 0.068 0.000 1.006 437 V CB -0.543 31.317 31.823 0.062 0.000 0.641 437 V HN 0.270 nan 8.190 nan 0.000 0.446 438 R N 0.041 120.577 120.500 0.061 0.000 2.206 438 R HA -0.316 4.024 4.340 0.001 0.000 0.240 438 R C 2.257 178.601 176.300 0.074 0.000 1.117 438 R CA 2.315 58.447 56.100 0.053 0.000 0.915 438 R CB -0.782 29.535 30.300 0.028 0.000 0.888 438 R HN 0.550 nan 8.270 nan 0.000 0.432 439 A N -0.348 122.503 122.820 0.051 0.000 2.119 439 A HA 0.037 4.358 4.320 0.001 0.000 0.217 439 A C 2.045 179.654 177.584 0.042 0.000 1.153 439 A CA 1.419 53.480 52.037 0.040 0.000 0.692 439 A CB -0.219 18.797 19.000 0.026 0.000 0.799 439 A HN 0.527 nan 8.150 nan 0.000 0.458 440 A N -1.575 121.275 122.820 0.050 0.000 1.984 440 A HA 0.056 4.376 4.320 0.001 0.000 0.214 440 A C 1.863 179.456 177.584 0.015 0.000 1.173 440 A CA 1.310 53.360 52.037 0.022 0.000 0.673 440 A CB -0.629 18.382 19.000 0.018 0.000 0.830 440 A HN 0.643 nan 8.150 nan 0.000 0.453 441 H N -0.201 118.870 119.070 0.002 0.000 2.299 441 H HA 0.019 4.576 4.556 0.001 0.000 0.302 441 H C 2.343 177.672 175.328 0.003 0.000 1.078 441 H CA 1.571 57.620 56.048 0.002 0.000 1.323 441 H CB -0.029 29.733 29.762 0.001 0.000 1.381 441 H HN 0.458 nan 8.280 nan 0.000 0.498 442 A N -0.670 122.230 122.820 0.133 0.000 2.159 442 A HA -0.241 4.080 4.320 0.001 0.000 0.222 442 A C 2.116 179.726 177.584 0.043 0.000 1.163 442 A CA 2.281 54.364 52.037 0.077 0.000 0.664 442 A CB -0.328 18.715 19.000 0.072 0.000 0.803 442 A HN 0.461 nan 8.150 nan 0.000 0.470 443 S N -2.117 113.597 115.700 0.024 0.000 2.931 443 S HA 0.060 4.530 4.470 0.001 0.000 0.251 443 S C 1.545 176.135 174.600 -0.017 0.000 1.078 443 S CA 0.437 58.639 58.200 0.004 0.000 0.835 443 S CB -0.145 63.058 63.200 0.005 0.000 0.798 443 S HN 0.696 nan 8.310 nan 0.000 0.495 444 N N 0.744 119.415 118.700 -0.048 0.000 2.245 444 N HA 0.433 5.174 4.740 0.001 0.000 0.185 444 N C 0.733 176.185 175.510 -0.096 0.000 1.036 444 N CA 0.807 53.812 53.050 -0.075 0.000 0.857 444 N CB 0.273 38.703 38.487 -0.096 0.000 1.015 444 N HN 0.459 nan 8.380 nan 0.000 0.436 445 G N -0.692 107.999 108.800 -0.182 0.000 2.369 445 G HA2 -0.110 3.851 3.960 0.001 0.000 0.293 445 G HA3 -0.110 3.851 3.960 0.001 0.000 0.293 445 G C -0.502 174.265 174.900 -0.221 0.000 1.301 445 G CA -0.182 44.853 45.100 -0.109 0.000 0.913 445 G HN 0.271 nan 8.290 nan 0.000 0.540 446 N N 0.556 119.260 118.700 0.007 0.000 2.171 446 N HA -0.370 4.371 4.740 0.001 0.000 0.200 446 N C 1.879 177.445 175.510 0.093 0.000 0.991 446 N CA 2.747 55.875 53.050 0.130 0.000 0.906 446 N CB -0.482 38.043 38.487 0.063 0.000 1.060 446 N HN 0.822 nan 8.380 nan 0.000 0.510 447 K N -0.718 119.667 120.400 -0.026 0.000 2.103 447 K HA 0.068 4.389 4.320 0.001 0.000 0.204 447 K C 0.979 177.540 176.600 -0.066 0.000 1.052 447 K CA 1.267 57.536 56.287 -0.030 0.000 0.945 447 K CB -0.241 32.247 32.500 -0.020 0.000 0.722 447 K HN 0.376 nan 8.250 nan 0.000 0.443 448 C N 1.760 120.944 119.300 -0.192 0.000 2.361 448 C HA 0.731 5.192 4.460 0.001 0.000 0.336 448 C C -0.236 174.591 174.990 -0.272 0.000 1.406 448 C CA -0.294 58.609 59.018 -0.192 0.000 1.763 448 C CB -1.499 26.184 27.740 -0.095 0.000 2.761 448 C HN 0.438 nan 8.230 nan 0.000 0.566 449 A N 1.036 123.724 122.820 -0.220 0.000 2.517 449 A HA 0.617 4.937 4.320 0.001 0.000 0.300 449 A C -0.020 177.672 177.584 0.179 0.000 1.225 449 A CA 0.357 52.372 52.037 -0.038 0.000 0.883 449 A CB -0.462 18.530 19.000 -0.014 0.000 1.459 449 A HN 0.905 nan 8.150 nan 0.000 0.437 450 G N 0.307 109.151 108.800 0.073 0.000 2.938 450 G HA2 0.684 4.645 3.960 0.001 0.000 0.258 450 G HA3 0.684 4.645 3.960 0.001 0.000 0.258 450 G C -0.071 174.848 174.900 0.031 0.000 1.356 450 G CA -0.256 44.880 45.100 0.059 0.000 1.052 450 G HN 1.314 nan 8.290 nan 0.000 0.550 451 L N -0.354 120.869 121.223 0.001 0.000 2.839 451 L HA 0.405 4.746 4.340 0.001 0.000 0.259 451 L C -0.354 176.480 176.870 -0.059 0.000 1.369 451 L CA -1.447 53.378 54.840 -0.025 0.000 0.845 451 L CB -0.877 41.174 42.059 -0.012 0.000 1.181 451 L HN 0.357 nan 8.230 nan 0.000 0.529 452 N N 1.281 119.957 118.700 -0.039 0.000 2.417 452 N HA 0.001 4.742 4.740 0.001 0.000 0.272 452 N C 1.528 176.969 175.510 -0.116 0.000 1.304 452 N CA 0.688 53.704 53.050 -0.057 0.000 0.906 452 N CB 1.284 39.797 38.487 0.044 0.000 1.135 452 N HN 0.416 nan 8.380 nan 0.000 0.483 453 V N 2.724 122.451 119.914 -0.310 0.000 2.407 453 V HA -0.185 3.936 4.120 0.001 0.000 0.248 453 V C 1.476 177.453 176.094 -0.194 0.000 1.055 453 V CA 1.445 63.536 62.300 -0.348 0.000 1.049 453 V CB -1.061 30.458 31.823 -0.506 0.000 0.662 453 V HN 0.451 nan 8.190 nan 0.000 0.455 454 F N 1.280 121.230 119.950 0.000 0.000 2.118 454 F HA 0.067 4.595 4.527 0.001 0.000 0.293 454 F C 2.762 178.562 175.800 0.000 0.000 1.102 454 F CA 1.805 59.805 58.000 0.000 0.000 1.247 454 F CB -1.572 37.428 39.000 0.000 0.000 1.017 454 F HN 0.025 nan 8.300 nan 0.000 0.475 455 T N -0.842 113.838 114.554 0.211 0.000 3.067 455 T HA 0.195 4.545 4.350 0.001 0.000 0.261 455 T C 0.967 175.708 174.700 0.068 0.000 1.110 455 T CA 0.794 62.965 62.100 0.118 0.000 1.113 455 T CB -0.892 68.033 68.868 0.095 0.000 0.917 455 T HN 0.503 nan 8.240 nan 0.000 0.499 456 G N 1.787 110.618 108.800 0.052 0.000 2.345 456 G HA2 0.217 4.178 3.960 0.001 0.000 0.205 456 G HA3 0.217 4.178 3.960 0.001 0.000 0.205 456 G C -0.063 174.849 174.900 0.019 0.000 0.534 456 G CA -0.027 45.087 45.100 0.023 0.000 0.968 456 G HN 1.028 nan 8.290 nan 0.000 0.330 457 A N 0.870 123.698 122.820 0.013 0.000 2.529 457 A HA 0.743 5.063 4.320 0.001 0.000 0.300 457 A C -0.186 177.407 177.584 0.015 0.000 0.942 457 A CA 0.187 52.233 52.037 0.015 0.000 0.614 457 A CB 0.319 19.331 19.000 0.021 0.000 1.367 457 A HN 2.238 nan 8.150 nan 0.000 0.443 458 V N 0.673 120.597 119.914 0.016 0.000 2.732 458 V HA 0.724 4.845 4.120 0.001 0.000 0.297 458 V C 0.189 176.291 176.094 0.015 0.000 1.060 458 V CA 0.905 63.217 62.300 0.019 0.000 1.038 458 V CB 1.352 33.188 31.823 0.023 0.000 1.003 458 V HN 1.232 nan 8.190 nan 0.000 0.481 459 E N 3.702 123.910 120.200 0.014 0.000 2.408 459 E HA 0.353 4.704 4.350 0.001 0.000 0.275 459 E C -1.850 174.751 176.600 0.002 0.000 0.935 459 E CA -0.869 55.541 56.400 0.016 0.000 0.775 459 E CB 2.007 31.723 29.700 0.027 0.000 1.277 459 E HN 0.690 nan 8.360 nan 0.000 0.455 460 D N 3.562 123.962 120.400 -0.001 0.000 2.412 460 D HA 0.130 4.770 4.640 0.001 0.000 0.224 460 D C 0.676 176.978 176.300 0.005 0.000 1.093 460 D CA -0.438 53.553 54.000 -0.014 0.000 0.850 460 D CB 1.239 42.031 40.800 -0.014 0.000 1.046 460 D HN 0.488 nan 8.370 nan 0.000 0.507 461 M N 3.214 122.819 119.600 0.009 0.000 2.073 461 M HA -0.154 4.326 4.480 0.001 0.000 0.258 461 M C 1.978 178.288 176.300 0.017 0.000 1.070 461 M CA 1.294 56.607 55.300 0.021 0.000 1.103 461 M CB -0.813 31.805 32.600 0.030 0.000 1.321 461 M HN 0.647 nan 8.290 nan 0.000 0.405 462 C N 0.508 119.814 119.300 0.010 0.000 2.277 462 C HA -0.322 4.138 4.460 0.001 0.000 0.270 462 C C 2.483 177.477 174.990 0.007 0.000 1.131 462 C CA 2.017 61.039 59.018 0.006 0.000 1.793 462 C CB -1.675 26.066 27.740 0.001 0.000 1.882 462 C HN 0.746 nan 8.230 nan 0.000 0.410 463 E N 1.453 121.655 120.200 0.003 0.000 2.095 463 E HA -0.300 4.050 4.350 0.001 0.000 0.212 463 E C 1.177 177.784 176.600 0.010 0.000 1.044 463 E CA 2.359 58.761 56.400 0.004 0.000 0.857 463 E CB -0.924 28.776 29.700 -0.000 0.000 0.764 463 E HN 0.778 nan 8.360 nan 0.000 0.462 464 N N 0.516 119.226 118.700 0.017 0.000 2.666 464 N HA 0.043 4.783 4.740 0.001 0.000 0.194 464 N C 0.993 176.519 175.510 0.026 0.000 1.220 464 N CA 0.436 53.501 53.050 0.026 0.000 0.928 464 N CB 0.183 38.696 38.487 0.043 0.000 0.997 464 N HN 0.496 nan 8.380 nan 0.000 0.447 465 G N 0.160 108.972 108.800 0.020 0.000 2.284 465 G HA2 -0.345 3.615 3.960 0.001 0.000 0.261 465 G HA3 -0.345 3.615 3.960 0.001 0.000 0.261 465 G C 0.421 175.334 174.900 0.022 0.000 0.997 465 G CA 0.557 45.669 45.100 0.018 0.000 0.621 465 G HN 0.354 nan 8.290 nan 0.000 0.534 466 V N -0.441 119.490 119.914 0.029 0.000 2.055 466 V HA 0.677 4.797 4.120 0.001 0.000 0.248 466 V C 0.399 176.507 176.094 0.024 0.000 1.476 466 V CA -0.489 61.831 62.300 0.033 0.000 1.417 466 V CB 0.274 32.127 31.823 0.050 0.000 1.465 466 V HN 0.580 nan 8.190 nan 0.000 0.502 467 V N 3.221 123.146 119.914 0.018 0.000 3.049 467 V HA 0.583 4.704 4.120 0.001 0.000 0.309 467 V C -0.168 175.933 176.094 0.012 0.000 1.148 467 V CA -0.877 61.432 62.300 0.016 0.000 0.990 467 V CB 2.472 34.306 31.823 0.017 0.000 1.039 467 V HN 0.848 nan 8.190 nan 0.000 0.430 468 E N 2.758 122.964 120.200 0.009 0.000 2.243 468 E HA 0.625 4.975 4.350 0.001 0.000 0.260 468 E C -2.795 173.807 176.600 0.005 0.000 0.985 468 E CA -2.072 54.331 56.400 0.006 0.000 0.858 468 E CB 1.242 30.943 29.700 0.002 0.000 1.210 468 E HN 0.336 nan 8.360 nan 0.000 0.411 469 P HA 0.010 nan 4.420 nan 0.000 0.302 469 P C 0.034 177.335 177.300 0.002 0.000 1.301 469 P CA -0.441 62.660 63.100 0.002 0.000 0.745 469 P CB 0.510 32.210 31.700 -0.000 0.000 1.331 470 L N -0.405 120.819 121.223 0.001 0.000 2.575 470 L HA 0.191 4.532 4.340 0.001 0.000 0.228 470 L C 2.107 178.976 176.870 -0.001 0.000 1.075 470 L CA 0.809 55.649 54.840 -0.000 0.000 0.867 470 L CB -0.225 41.834 42.059 0.000 0.000 1.097 470 L HN 0.233 nan 8.230 nan 0.000 0.485 471 R N -0.297 120.202 120.500 -0.002 0.000 2.090 471 R HA -0.090 4.251 4.340 0.001 0.000 0.228 471 R C 2.004 178.303 176.300 -0.002 0.000 1.110 471 R CA 1.150 57.249 56.100 -0.002 0.000 0.973 471 R CB -0.270 30.029 30.300 -0.002 0.000 0.869 471 R HN 0.046 nan 8.270 nan 0.000 0.440 472 V N 1.317 121.229 119.914 -0.002 0.000 2.325 472 V HA -0.481 3.640 4.120 0.001 0.000 0.244 472 V C 2.177 178.269 176.094 -0.004 0.000 1.012 472 V CA 2.532 64.829 62.300 -0.003 0.000 1.102 472 V CB -0.881 30.940 31.823 -0.003 0.000 0.777 472 V HN 0.337 nan 8.190 nan 0.000 0.503 473 K N 0.136 120.534 120.400 -0.004 0.000 2.113 473 K HA -0.170 4.151 4.320 0.001 0.000 0.208 473 K C 2.261 178.860 176.600 -0.001 0.000 1.047 473 K CA 2.304 58.589 56.287 -0.004 0.000 0.928 473 K CB -0.925 31.572 32.500 -0.004 0.000 0.716 473 K HN 0.881 nan 8.250 nan 0.000 0.446 474 T N -2.584 111.969 114.554 -0.001 0.000 3.057 474 T HA 0.039 4.389 4.350 0.001 0.000 0.254 474 T C 1.728 176.428 174.700 0.001 0.000 1.094 474 T CA 0.355 62.454 62.100 -0.001 0.000 1.088 474 T CB 0.162 69.027 68.868 -0.004 0.000 0.934 474 T HN -0.018 nan 8.240 nan 0.000 0.497 475 Q N 1.024 120.825 119.800 0.002 0.000 2.226 475 Q HA 0.495 4.836 4.340 0.001 0.000 0.199 475 Q C 2.301 178.305 176.000 0.007 0.000 0.945 475 Q CA 1.417 57.222 55.803 0.004 0.000 0.861 475 Q CB -0.620 28.119 28.738 0.001 0.000 0.953 475 Q HN 0.615 nan 8.270 nan 0.000 0.490 476 A N -0.219 122.604 122.820 0.004 0.000 2.123 476 A HA 0.069 4.389 4.320 0.001 0.000 0.214 476 A C 1.666 179.254 177.584 0.007 0.000 1.152 476 A CA 0.606 52.645 52.037 0.002 0.000 0.728 476 A CB -0.290 18.708 19.000 -0.004 0.000 0.814 476 A HN 0.375 nan 8.150 nan 0.000 0.464 477 I N -1.482 119.098 120.570 0.017 0.000 3.228 477 I HA -0.067 4.104 4.170 0.001 0.000 0.279 477 I C 2.294 178.447 176.117 0.060 0.000 1.221 477 I CA 0.579 61.904 61.300 0.041 0.000 1.458 477 I CB -0.315 37.718 38.000 0.054 0.000 1.105 477 I HN 0.416 nan 8.210 nan 0.000 0.445 478 Q N 0.315 120.138 119.800 0.037 0.000 2.200 478 Q HA -0.001 4.340 4.340 0.001 0.000 0.197 478 Q C 2.381 178.405 176.000 0.039 0.000 0.953 478 Q CA 0.811 56.637 55.803 0.038 0.000 0.851 478 Q CB 0.231 28.981 28.738 0.019 0.000 0.938 478 Q HN 0.205 nan 8.270 nan 0.000 0.488 479 S N 0.164 115.880 115.700 0.027 0.000 2.400 479 S HA -0.122 4.348 4.470 0.001 0.000 0.232 479 S C 1.536 176.150 174.600 0.024 0.000 1.025 479 S CA 1.312 59.525 58.200 0.021 0.000 0.993 479 S CB -0.003 63.204 63.200 0.012 0.000 0.808 479 S HN 0.439 nan 8.310 nan 0.000 0.478 480 A N -0.622 122.214 122.820 0.026 0.000 2.431 480 A HA 0.730 5.050 4.320 0.001 0.000 0.239 480 A C 1.783 179.387 177.584 0.032 0.000 1.230 480 A CA 0.698 52.746 52.037 0.019 0.000 0.928 480 A CB -0.190 18.809 19.000 -0.001 0.000 1.006 480 A HN 0.416 nan 8.150 nan 0.000 0.520 481 A N 0.996 123.866 122.820 0.083 0.000 1.854 481 A HA -0.106 4.215 4.320 0.001 0.000 0.214 481 A C 1.769 179.440 177.584 0.145 0.000 1.192 481 A CA 1.445 53.580 52.037 0.164 0.000 0.611 481 A CB -0.442 18.742 19.000 0.306 0.000 0.832 481 A HN 0.515 nan 8.150 nan 0.000 0.442 482 E N -0.184 120.078 120.200 0.102 0.000 2.268 482 E HA -0.100 4.251 4.350 0.001 0.000 0.195 482 E C 1.888 178.524 176.600 0.059 0.000 0.995 482 E CA 1.081 57.528 56.400 0.078 0.000 0.836 482 E CB -0.225 29.510 29.700 0.058 0.000 0.763 482 E HN 0.504 nan 8.360 nan 0.000 0.491 483 S N 0.701 116.429 115.700 0.047 0.000 2.458 483 S HA -0.067 4.403 4.470 0.001 0.000 0.223 483 S C 2.167 176.786 174.600 0.031 0.000 1.019 483 S CA 1.290 59.509 58.200 0.032 0.000 0.937 483 S CB -0.060 63.153 63.200 0.021 0.000 0.788 483 S HN 0.470 nan 8.310 nan 0.000 0.511 484 T N 0.127 114.703 114.554 0.037 0.000 3.043 484 T HA 0.032 4.383 4.350 0.001 0.000 0.263 484 T C 1.471 176.208 174.700 0.061 0.000 1.094 484 T CA 1.047 63.167 62.100 0.033 0.000 1.127 484 T CB -0.367 68.505 68.868 0.007 0.000 0.905 484 T HN 0.701 nan 8.240 nan 0.000 0.490 485 E N 0.543 120.798 120.200 0.092 0.000 2.502 485 E HA 0.085 4.436 4.350 0.001 0.000 0.194 485 E C 2.053 178.685 176.600 0.054 0.000 1.062 485 E CA -0.040 56.417 56.400 0.095 0.000 0.867 485 E CB -0.275 29.512 29.700 0.145 0.000 0.888 485 E HN 0.581 nan 8.360 nan 0.000 0.510 486 M N 0.488 120.113 119.600 0.043 0.000 2.098 486 M HA -0.049 4.431 4.480 0.001 0.000 0.262 486 M C 1.358 177.669 176.300 0.018 0.000 1.072 486 M CA 1.231 56.547 55.300 0.026 0.000 1.133 486 M CB 0.130 32.744 32.600 0.023 0.000 1.344 486 M HN 0.234 nan 8.290 nan 0.000 0.414 487 L N 0.850 122.084 121.223 0.018 0.000 2.610 487 L HA -0.055 4.285 4.340 0.001 0.000 0.232 487 L C 1.781 178.653 176.870 0.003 0.000 1.149 487 L CA 0.053 54.897 54.840 0.007 0.000 0.872 487 L CB -0.353 41.708 42.059 0.004 0.000 0.992 487 L HN 0.351 nan 8.230 nan 0.000 0.447 488 L N -0.643 120.588 121.223 0.013 0.000 2.102 488 L HA -0.012 4.328 4.340 0.001 0.000 0.202 488 L C 2.443 179.303 176.870 -0.016 0.000 1.076 488 L CA 1.408 56.251 54.840 0.005 0.000 0.761 488 L CB -0.574 41.497 42.059 0.020 0.000 0.921 488 L HN 0.208 nan 8.230 nan 0.000 0.444 489 R N 0.339 120.833 120.500 -0.009 0.000 2.280 489 R HA -0.110 4.230 4.340 0.001 0.000 0.209 489 R C 0.660 176.953 176.300 -0.012 0.000 1.059 489 R CA 1.047 57.139 56.100 -0.013 0.000 0.847 489 R CB -1.237 29.061 30.300 -0.003 0.000 0.763 489 R HN 0.177 nan 8.270 nan 0.000 0.452 490 I N 3.623 124.192 120.570 -0.002 0.000 2.728 490 I HA -0.214 3.956 4.170 0.001 0.000 0.127 490 I C -0.296 175.817 176.117 -0.007 0.000 0.882 490 I CA 0.754 62.053 61.300 -0.001 0.000 2.784 490 I CB -0.790 37.211 38.000 0.001 0.000 0.549 490 I HN 0.641 nan 8.210 nan 0.000 0.352 491 D N 3.881 124.283 120.400 0.002 0.000 2.865 491 D HA 0.259 4.900 4.640 0.001 0.000 0.347 491 D C -0.512 175.803 176.300 0.026 0.000 1.498 491 D CA -0.388 53.616 54.000 0.006 0.000 0.787 491 D CB 0.396 41.196 40.800 -0.001 0.000 1.190 491 D HN 0.629 nan 8.370 nan 0.000 0.445 492 D N -0.212 120.205 120.400 0.027 0.000 2.931 492 D HA 0.309 4.949 4.640 0.001 0.000 0.215 492 D C -1.880 174.442 176.300 0.037 0.000 1.297 492 D CA -0.818 53.204 54.000 0.037 0.000 0.892 492 D CB 2.186 43.003 40.800 0.028 0.000 1.642 492 D HN -0.089 nan 8.370 nan 0.000 0.560 493 V N 5.831 125.779 119.914 0.056 0.000 2.398 493 V HA 0.463 4.583 4.120 0.001 0.000 0.282 493 V C -0.718 175.377 176.094 0.003 0.000 1.014 493 V CA -0.602 61.728 62.300 0.050 0.000 0.838 493 V CB 0.806 32.676 31.823 0.078 0.000 1.018 493 V HN 0.636 nan 8.190 nan 0.000 0.432 494 I N 7.027 127.591 120.570 -0.011 0.000 2.494 494 I HA 0.547 4.718 4.170 0.001 0.000 0.289 494 I C 0.719 176.825 176.117 -0.018 0.000 1.106 494 I CA 0.679 61.959 61.300 -0.034 0.000 1.369 494 I CB 0.490 38.473 38.000 -0.028 0.000 1.410 494 I HN 0.732 nan 8.210 nan 0.000 0.523 495 A N 5.337 128.135 122.820 -0.037 0.000 2.430 495 A HA 1.045 5.365 4.320 0.001 0.000 0.300 495 A C -0.372 177.200 177.584 -0.020 0.000 1.124 495 A CA 0.013 52.048 52.037 -0.002 0.000 0.766 495 A CB 1.997 21.025 19.000 0.046 0.000 1.328 495 A HN 0.945 nan 8.150 nan 0.000 0.424 496 A N -0.192 122.625 122.820 -0.005 0.000 2.396 496 A HA 0.609 4.929 4.320 0.001 0.000 0.291 496 A C -0.939 176.647 177.584 0.003 0.000 1.021 496 A CA 0.301 52.339 52.037 0.001 0.000 0.563 496 A CB -0.257 18.740 19.000 -0.005 0.000 1.507 496 A HN 1.425 nan 8.150 nan 0.000 0.646 497 E N 0.000 120.202 120.200 0.004 0.000 2.725 497 E HA 0.000 4.351 4.350 0.001 0.000 0.291 497 E CA 0.000 56.401 56.400 0.001 0.000 0.976 497 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440