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 2c7d_1_H DATA FIRST_RESID 3 DATA SEQUENCE AKDVKFGNDA RVKMLRGVNV LADAVKVTLG PKGRNVVLDK SFGAPTITKD DATA SEQUENCE GVSVAREIEL EDKFENMGAQ MVKEVASKAN DAAGDGTTTA TVLAQAIITE DATA SEQUENCE GLKAVAAGMN PMDLKRGIDK AVTAAVEELK ALSVPCSDSK AIAQVGTISA DATA SEQUENCE NSDETVGKLI AEAMDKVGKE GVITVEDGTG LQDELDVVEG MQFDRGYLSP DATA SEQUENCE YFINKPETGA VELESPFILL ADKKISNIRE MLPVLEAVAK AGKPLLIIAE DATA SEQUENCE DVEGEALATL VVNTMRGIVK VAAVKAPGFG DRRKAMLQDI ATLTGGTVIS DATA SEQUENCE EEIGMELEKA TLEDLGQAKR VVINKDTTTI IDGVGEEAAI QGRVAQIRQQ DATA SEQUENCE IEEATSDYDR EKLQERVAKL AGGVAVIKVG AATEVEMKEK KARVEDALHA DATA SEQUENCE TRAAVEEGVV AGGGVALIRV ASKLADLRGQ NEDQNVGIKV ALRAMEAPLR DATA SEQUENCE QIVLNCGEEP SVVANTVKGG DGNYGYNAAT EEYGNMIDMG ILDPTKVTRS DATA SEQUENCE ALQYAASVAG LMITTECMVT DLP 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.585 177.584 0.001 0.000 1.274 3 A CA 0.000 52.041 52.037 0.006 0.000 0.836 3 A CB 0.000 19.004 19.000 0.007 0.000 0.831 4 K N 1.139 121.546 120.400 0.012 0.000 2.551 4 K HA 0.521 4.841 4.320 0.001 0.000 0.269 4 K C -1.690 174.938 176.600 0.047 0.000 0.949 4 K CA -0.604 55.688 56.287 0.008 0.000 0.849 4 K CB 2.498 34.997 32.500 -0.001 0.000 1.411 4 K HN 0.843 nan 8.250 nan 0.000 0.432 5 D N 0.770 121.219 120.400 0.083 0.000 2.332 5 D HA 0.578 5.219 4.640 0.001 0.000 0.252 5 D C -1.009 175.430 176.300 0.232 0.000 1.050 5 D CA -0.493 53.617 54.000 0.183 0.000 0.970 5 D CB 1.513 42.505 40.800 0.319 0.000 1.141 5 D HN 0.263 nan 8.370 nan 0.000 0.485 6 V N -1.402 118.620 119.914 0.179 0.000 2.808 6 V HA 0.745 4.866 4.120 0.001 0.000 0.308 6 V C -1.068 174.821 176.094 -0.341 0.000 1.099 6 V CA -0.796 61.486 62.300 -0.030 0.000 0.920 6 V CB 1.785 33.586 31.823 -0.036 0.000 1.014 6 V HN 0.539 nan 8.190 nan 0.000 0.425 7 K N 3.436 123.447 120.400 -0.647 0.000 2.532 7 K HA 0.795 5.115 4.320 0.001 0.000 0.265 7 K C -1.934 174.100 176.600 -0.943 0.000 0.948 7 K CA -0.431 55.396 56.287 -0.767 0.000 0.842 7 K CB 2.858 35.024 32.500 -0.557 0.000 1.392 7 K HN 0.672 nan 8.250 nan 0.000 0.436 8 F N -0.345 119.608 119.950 0.005 0.000 2.599 8 F HA 0.458 4.985 4.527 0.000 0.000 0.311 8 F C 1.159 176.961 175.800 0.004 0.000 1.076 8 F CA -0.155 57.855 58.000 0.017 0.000 0.937 8 F CB 1.901 40.909 39.000 0.013 0.000 1.282 8 F HN 0.803 nan 8.300 nan 0.000 0.460 9 G N 2.031 110.945 108.800 0.190 0.000 2.672 9 G HA2 -0.533 3.427 3.960 0.001 0.000 0.332 9 G HA3 -0.533 3.427 3.960 0.001 0.000 0.332 9 G C 1.106 176.043 174.900 0.062 0.000 1.213 9 G CA 1.416 46.581 45.100 0.109 0.000 0.980 9 G HN 0.900 nan 8.290 nan 0.000 0.548 10 N N 0.997 119.725 118.700 0.047 0.000 2.036 10 N HA -0.108 4.632 4.740 0.001 0.000 0.195 10 N C 1.749 177.258 175.510 -0.001 0.000 1.037 10 N CA 2.572 55.635 53.050 0.021 0.000 0.855 10 N CB -0.280 38.217 38.487 0.016 0.000 1.033 10 N HN 0.537 nan 8.380 nan 0.000 0.423 11 D N -0.289 120.103 120.400 -0.014 0.000 2.269 11 D HA -0.031 4.609 4.640 0.001 0.000 0.208 11 D C 1.703 177.925 176.300 -0.130 0.000 0.963 11 D CA 0.932 54.882 54.000 -0.083 0.000 0.864 11 D CB -0.391 40.352 40.800 -0.095 0.000 0.936 11 D HN 0.484 nan 8.370 nan 0.000 0.505 12 A N 1.516 124.296 122.820 -0.067 0.000 1.826 12 A HA -0.119 4.202 4.320 0.001 0.000 0.214 12 A C 2.202 179.798 177.584 0.020 0.000 1.212 12 A CA 0.923 52.954 52.037 -0.011 0.000 0.605 12 A CB -0.461 18.550 19.000 0.017 0.000 0.861 12 A HN 0.040 nan 8.150 nan 0.000 0.447 13 R N -0.573 119.941 120.500 0.022 0.000 2.120 13 R HA -0.076 4.264 4.340 0.001 0.000 0.234 13 R C 1.987 178.298 176.300 0.017 0.000 1.123 13 R CA 1.295 57.411 56.100 0.026 0.000 0.975 13 R CB -0.524 29.792 30.300 0.027 0.000 0.866 13 R HN 0.396 nan 8.270 nan 0.000 0.446 14 V N 1.389 121.305 119.914 0.003 0.000 2.307 14 V HA -0.240 3.880 4.120 0.001 0.000 0.245 14 V C 2.253 178.349 176.094 0.003 0.000 1.045 14 V CA 1.627 63.925 62.300 -0.002 0.000 1.024 14 V CB -0.314 31.499 31.823 -0.016 0.000 0.651 14 V HN 0.217 nan 8.190 nan 0.000 0.449 15 K N -0.523 119.878 120.400 0.001 0.000 2.057 15 K HA -0.120 4.200 4.320 0.001 0.000 0.206 15 K C 2.115 178.752 176.600 0.061 0.000 1.050 15 K CA 1.602 57.909 56.287 0.033 0.000 0.935 15 K CB -0.546 31.982 32.500 0.047 0.000 0.715 15 K HN 0.435 nan 8.250 nan 0.000 0.439 16 M N 0.707 120.345 119.600 0.063 0.000 2.082 16 M HA -0.234 4.247 4.480 0.001 0.000 0.258 16 M C 2.139 178.460 176.300 0.035 0.000 1.069 16 M CA 1.485 56.816 55.300 0.053 0.000 1.102 16 M CB -0.158 32.471 32.600 0.048 0.000 1.336 16 M HN 0.075 nan 8.290 nan 0.000 0.404 17 L N 0.577 121.816 121.223 0.027 0.000 1.994 17 L HA -0.207 4.133 4.340 0.001 0.000 0.208 17 L C 2.356 179.238 176.870 0.019 0.000 1.071 17 L CA 1.951 56.803 54.840 0.021 0.000 0.745 17 L CB -0.781 41.288 42.059 0.016 0.000 0.892 17 L HN 0.265 nan 8.230 nan 0.000 0.431 18 R N -0.578 119.933 120.500 0.019 0.000 2.103 18 R HA -0.160 4.180 4.340 0.001 0.000 0.242 18 R C 2.180 178.492 176.300 0.020 0.000 1.142 18 R CA 1.301 57.411 56.100 0.017 0.000 0.960 18 R CB -1.104 29.206 30.300 0.016 0.000 0.858 18 R HN 0.619 nan 8.270 nan 0.000 0.439 19 G N 0.471 109.287 108.800 0.028 0.000 2.418 19 G HA2 -0.223 3.737 3.960 0.001 0.000 0.217 19 G HA3 -0.223 3.737 3.960 0.001 0.000 0.217 19 G C 1.489 176.399 174.900 0.018 0.000 1.158 19 G CA 0.735 45.851 45.100 0.025 0.000 0.771 19 G HN 0.138 nan 8.290 nan 0.000 0.545 20 V N 1.364 121.289 119.914 0.018 0.000 2.295 20 V HA -0.245 3.876 4.120 0.001 0.000 0.246 20 V C 2.606 178.708 176.094 0.013 0.000 1.049 20 V CA 2.349 64.659 62.300 0.015 0.000 1.024 20 V CB -0.768 31.066 31.823 0.017 0.000 0.648 20 V HN 0.423 nan 8.190 nan 0.000 0.447 21 N N -0.270 118.438 118.700 0.013 0.000 2.084 21 N HA -0.156 4.584 4.740 0.001 0.000 0.190 21 N C 1.713 177.229 175.510 0.010 0.000 1.030 21 N CA 1.387 54.444 53.050 0.011 0.000 0.849 21 N CB -0.345 38.148 38.487 0.010 0.000 1.012 21 N HN 0.258 nan 8.380 nan 0.000 0.423 22 V N 1.303 121.223 119.914 0.010 0.000 2.380 22 V HA -0.206 3.914 4.120 0.001 0.000 0.251 22 V C 2.081 178.179 176.094 0.007 0.000 1.063 22 V CA 1.331 63.636 62.300 0.008 0.000 1.055 22 V CB -0.450 31.379 31.823 0.010 0.000 0.657 22 V HN 0.407 nan 8.190 nan 0.000 0.455 23 L N -0.114 121.113 121.223 0.007 0.000 2.071 23 L HA 0.061 4.401 4.340 0.001 0.000 0.201 23 L C 2.512 179.386 176.870 0.006 0.000 1.076 23 L CA 2.442 57.285 54.840 0.005 0.000 0.755 23 L CB -1.248 40.813 42.059 0.005 0.000 0.915 23 L HN 0.311 nan 8.230 nan 0.000 0.445 24 A N -0.409 122.416 122.820 0.008 0.000 1.898 24 A HA -0.199 4.121 4.320 0.001 0.000 0.216 24 A C 1.823 179.413 177.584 0.009 0.000 1.181 24 A CA 1.704 53.747 52.037 0.010 0.000 0.620 24 A CB -0.564 18.443 19.000 0.012 0.000 0.819 24 A HN 0.572 nan 8.150 nan 0.000 0.442 25 D N -0.273 120.132 120.400 0.008 0.000 2.347 25 D HA 0.138 4.779 4.640 0.001 0.000 0.215 25 D C 1.978 178.282 176.300 0.006 0.000 0.976 25 D CA 0.927 54.931 54.000 0.007 0.000 0.884 25 D CB 0.097 40.901 40.800 0.007 0.000 0.915 25 D HN 0.473 nan 8.370 nan 0.000 0.526 26 A N 0.787 123.610 122.820 0.005 0.000 1.843 26 A HA -0.060 4.261 4.320 0.001 0.000 0.213 26 A C 2.430 180.017 177.584 0.005 0.000 1.202 26 A CA 0.497 52.537 52.037 0.004 0.000 0.607 26 A CB -0.767 18.235 19.000 0.003 0.000 0.847 26 A HN 0.072 nan 8.150 nan 0.000 0.445 27 V N 0.637 120.555 119.914 0.006 0.000 2.546 27 V HA -0.318 3.802 4.120 0.001 0.000 0.254 27 V C 2.408 178.507 176.094 0.009 0.000 1.076 27 V CA 2.361 64.665 62.300 0.007 0.000 1.087 27 V CB -0.790 31.037 31.823 0.007 0.000 0.674 27 V HN 0.549 nan 8.190 nan 0.000 0.470 28 K N 0.074 120.480 120.400 0.010 0.000 2.173 28 K HA -0.190 4.130 4.320 0.001 0.000 0.207 28 K C 1.574 178.180 176.600 0.010 0.000 1.046 28 K CA 1.799 58.093 56.287 0.011 0.000 0.929 28 K CB -0.363 32.143 32.500 0.010 0.000 0.720 28 K HN 0.622 nan 8.250 nan 0.000 0.453 29 V N -0.694 119.225 119.914 0.008 0.000 3.513 29 V HA 0.028 4.148 4.120 0.001 0.000 0.311 29 V C 0.860 176.959 176.094 0.009 0.000 1.218 29 V CA 1.304 63.609 62.300 0.008 0.000 1.266 29 V CB -0.803 31.023 31.823 0.006 0.000 1.074 29 V HN 0.342 nan 8.190 nan 0.000 0.421 30 T N -3.459 111.102 114.554 0.011 0.000 3.080 30 T HA 0.358 4.708 4.350 0.001 0.000 0.280 30 T C 0.120 174.829 174.700 0.015 0.000 0.926 30 T CA -0.160 61.947 62.100 0.012 0.000 0.883 30 T CB 0.193 69.067 68.868 0.011 0.000 1.194 30 T HN 0.322 nan 8.240 nan 0.000 0.541 31 L N 2.954 124.188 121.223 0.017 0.000 2.380 31 L HA 0.642 4.982 4.340 0.001 0.000 0.273 31 L C 0.883 177.767 176.870 0.024 0.000 1.138 31 L CA 1.812 56.665 54.840 0.021 0.000 0.832 31 L CB 0.023 42.095 42.059 0.022 0.000 1.124 31 L HN 0.738 nan 8.230 nan 0.000 0.454 32 G N 4.492 113.307 108.800 0.026 0.000 2.698 32 G HA2 -0.178 3.783 3.960 0.001 0.000 0.225 32 G HA3 -0.178 3.783 3.960 0.001 0.000 0.225 32 G C -2.234 172.682 174.900 0.025 0.000 1.345 32 G CA -0.254 44.865 45.100 0.031 0.000 0.871 32 G HN 0.572 nan 8.290 nan 0.000 0.540 33 P HA 0.021 nan 4.420 nan 0.000 0.214 33 P C 1.201 178.510 177.300 0.016 0.000 1.162 33 P CA 1.479 64.588 63.100 0.015 0.000 0.871 33 P CB -0.023 31.680 31.700 0.005 0.000 0.783 34 K N 0.456 120.872 120.400 0.028 0.000 2.632 34 K HA 0.163 4.483 4.320 0.001 0.000 0.196 34 K C 1.116 177.730 176.600 0.023 0.000 1.023 34 K CA -0.195 56.108 56.287 0.027 0.000 1.098 34 K CB -0.555 31.971 32.500 0.044 0.000 0.862 34 K HN 0.134 nan 8.250 nan 0.000 0.504 35 G N 1.398 110.210 108.800 0.021 0.000 2.365 35 G HA2 0.039 4.000 3.960 0.001 0.000 0.249 35 G HA3 0.039 4.000 3.960 0.001 0.000 0.249 35 G C 0.003 174.910 174.900 0.013 0.000 1.288 35 G CA -0.425 44.686 45.100 0.017 0.000 0.887 35 G HN 0.231 nan 8.290 nan 0.000 0.524 36 R N 1.510 122.017 120.500 0.011 0.000 2.562 36 R HA 0.368 4.708 4.340 0.001 0.000 0.217 36 R C -0.354 175.950 176.300 0.007 0.000 1.234 36 R CA -0.551 55.554 56.100 0.008 0.000 1.027 36 R CB 0.463 30.767 30.300 0.007 0.000 1.525 36 R HN 0.606 nan 8.270 nan 0.000 0.527 37 N N -1.441 117.262 118.700 0.005 0.000 2.455 37 N HA 0.406 5.146 4.740 0.001 0.000 0.278 37 N C -1.744 173.767 175.510 0.002 0.000 1.291 37 N CA -0.636 52.416 53.050 0.004 0.000 0.780 37 N CB 2.553 41.042 38.487 0.003 0.000 1.520 37 N HN 0.068 nan 8.380 nan 0.000 0.486 38 V N 1.017 120.932 119.914 0.001 0.000 2.628 38 V HA 0.574 4.695 4.120 0.001 0.000 0.306 38 V C -0.632 175.460 176.094 -0.003 0.000 1.045 38 V CA -0.697 61.602 62.300 -0.001 0.000 0.905 38 V CB 1.869 33.692 31.823 -0.000 0.000 0.997 38 V HN 0.345 nan 8.190 nan 0.000 0.436 39 V N 5.437 125.347 119.914 -0.007 0.000 2.495 39 V HA 0.576 4.697 4.120 0.001 0.000 0.298 39 V C -0.334 175.750 176.094 -0.017 0.000 1.031 39 V CA -0.458 61.836 62.300 -0.011 0.000 0.871 39 V CB 1.649 33.465 31.823 -0.012 0.000 0.988 39 V HN 0.624 nan 8.190 nan 0.000 0.432 40 L N 2.701 123.910 121.223 -0.023 0.000 2.323 40 L HA 0.674 5.014 4.340 0.001 0.000 0.265 40 L C -0.832 176.006 176.870 -0.054 0.000 1.012 40 L CA -0.710 54.109 54.840 -0.036 0.000 0.820 40 L CB 2.263 44.303 42.059 -0.031 0.000 1.334 40 L HN 0.563 nan 8.230 nan 0.000 0.427 41 D N 0.894 121.248 120.400 -0.077 0.000 2.181 41 D HA 0.420 5.060 4.640 0.001 0.000 0.248 41 D C -1.143 175.039 176.300 -0.197 0.000 1.020 41 D CA -0.293 53.639 54.000 -0.113 0.000 0.891 41 D CB 1.362 42.102 40.800 -0.100 0.000 1.187 41 D HN 0.317 nan 8.370 nan 0.000 0.443 42 K N 1.224 121.458 120.400 -0.277 0.000 2.578 42 K HA 0.208 4.528 4.320 0.001 0.000 0.250 42 K C 0.295 176.571 176.600 -0.540 0.000 0.955 42 K CA -0.497 55.434 56.287 -0.592 0.000 0.825 42 K CB 1.665 33.800 32.500 -0.608 0.000 1.151 42 K HN 0.412 nan 8.250 nan 0.000 0.432 43 S N 1.724 117.083 115.700 -0.569 0.000 2.595 43 S HA -0.079 4.392 4.470 0.001 0.000 0.235 43 S C 1.200 175.743 174.600 -0.094 0.000 0.974 43 S CA 0.464 58.509 58.200 -0.259 0.000 0.942 43 S CB -0.440 62.672 63.200 -0.147 0.000 0.766 43 S HN 0.485 nan 8.310 nan 0.000 0.536 44 F N 1.973 121.922 119.950 -0.001 0.000 2.451 44 F HA 0.362 4.890 4.527 0.001 0.000 0.299 44 F C 2.048 177.848 175.800 -0.000 0.000 1.101 44 F CA -0.237 57.763 58.000 -0.000 0.000 1.436 44 F CB -1.088 37.911 39.000 -0.000 0.000 1.074 44 F HN 0.479 nan 8.300 nan 0.000 0.553 45 G N -1.589 107.259 108.800 0.079 0.000 3.751 45 G HA2 0.399 4.359 3.960 0.001 0.000 0.216 45 G HA3 0.399 4.359 3.960 0.001 0.000 0.216 45 G C -0.071 174.832 174.900 0.005 0.000 0.911 45 G CA 0.044 45.171 45.100 0.044 0.000 0.869 45 G HN 0.577 nan 8.290 nan 0.000 0.462 46 A N -0.356 122.455 122.820 -0.015 0.000 2.601 46 A HA 0.848 5.168 4.320 0.001 0.000 0.291 46 A C -3.089 174.466 177.584 -0.048 0.000 1.075 46 A CA -0.793 51.230 52.037 -0.024 0.000 0.671 46 A CB 0.576 19.576 19.000 -0.000 0.000 1.277 46 A HN 0.046 nan 8.150 nan 0.000 0.417 47 P HA 0.404 nan 4.420 nan 0.000 0.273 47 P C -0.367 176.916 177.300 -0.028 0.000 1.258 47 P CA 0.272 63.344 63.100 -0.045 0.000 0.802 47 P CB 0.419 32.100 31.700 -0.032 0.000 1.040 48 T N 0.405 114.945 114.554 -0.025 0.000 2.971 48 T HA 0.558 4.909 4.350 0.001 0.000 0.304 48 T C -0.564 174.132 174.700 -0.006 0.000 1.038 48 T CA -0.187 61.909 62.100 -0.007 0.000 1.007 48 T CB 0.437 69.305 68.868 0.001 0.000 1.055 48 T HN 0.051 nan 8.240 nan 0.000 0.451 49 I N 2.184 122.754 120.570 -0.001 0.000 2.530 49 I HA 0.760 4.930 4.170 0.001 0.000 0.297 49 I C 0.364 176.484 176.117 0.004 0.000 1.011 49 I CA -0.303 60.997 61.300 -0.000 0.000 1.107 49 I CB 2.261 40.260 38.000 -0.001 0.000 1.285 49 I HN 0.570 nan 8.210 nan 0.000 0.436 50 T N 3.212 117.768 114.554 0.004 0.000 2.821 50 T HA 0.384 4.734 4.350 0.001 0.000 0.306 50 T C -0.147 174.556 174.700 0.006 0.000 1.313 50 T CA -0.573 61.531 62.100 0.006 0.000 1.012 50 T CB 1.467 70.340 68.868 0.008 0.000 1.298 50 T HN 0.707 nan 8.240 nan 0.000 0.502 51 K N 0.814 121.219 120.400 0.008 0.000 2.374 51 K HA 0.257 4.578 4.320 0.001 0.000 0.202 51 K C -0.451 176.155 176.600 0.010 0.000 1.040 51 K CA -0.149 56.143 56.287 0.009 0.000 1.085 51 K CB 0.372 32.878 32.500 0.009 0.000 0.873 51 K HN 0.579 nan 8.250 nan 0.000 0.539 52 D N -1.588 118.818 120.400 0.010 0.000 2.256 52 D HA 0.214 4.854 4.640 0.001 0.000 0.246 52 D C 1.058 177.363 176.300 0.008 0.000 1.042 52 D CA -0.513 53.493 54.000 0.010 0.000 0.841 52 D CB 1.712 42.519 40.800 0.011 0.000 1.223 52 D HN 0.040 nan 8.370 nan 0.000 0.470 53 G N 1.987 110.792 108.800 0.008 0.000 2.432 53 G HA2 -0.210 3.750 3.960 0.001 0.000 0.219 53 G HA3 -0.210 3.750 3.960 0.001 0.000 0.219 53 G C 1.377 176.277 174.900 -0.000 0.000 1.135 53 G CA 0.781 45.883 45.100 0.005 0.000 0.767 53 G HN 0.448 nan 8.290 nan 0.000 0.550 54 V N 0.580 120.493 119.914 -0.002 0.000 2.453 54 V HA -0.101 4.020 4.120 0.001 0.000 0.247 54 V C 2.939 179.033 176.094 -0.000 0.000 1.048 54 V CA 2.522 64.817 62.300 -0.008 0.000 1.049 54 V CB -0.256 31.558 31.823 -0.015 0.000 0.672 54 V HN 0.351 nan 8.190 nan 0.000 0.457 55 S N -0.132 115.571 115.700 0.005 0.000 2.359 55 S HA -0.186 4.284 4.470 0.001 0.000 0.224 55 S C 1.875 176.481 174.600 0.010 0.000 1.035 55 S CA 1.748 59.955 58.200 0.011 0.000 1.018 55 S CB -0.305 62.903 63.200 0.013 0.000 0.876 55 S HN 0.487 nan 8.310 nan 0.000 0.448 56 V N 1.864 121.782 119.914 0.006 0.000 2.261 56 V HA -0.176 3.944 4.120 0.001 0.000 0.246 56 V C 2.653 178.749 176.094 0.003 0.000 1.047 56 V CA 1.802 64.104 62.300 0.004 0.000 1.015 56 V CB -1.186 30.639 31.823 0.003 0.000 0.642 56 V HN 0.550 nan 8.190 nan 0.000 0.446 57 A N -0.449 122.372 122.820 0.001 0.000 1.929 57 A HA -0.172 4.149 4.320 0.001 0.000 0.216 57 A C 2.352 179.936 177.584 0.000 0.000 1.176 57 A CA 1.449 53.485 52.037 -0.001 0.000 0.628 57 A CB -0.492 18.505 19.000 -0.006 0.000 0.816 57 A HN 0.471 nan 8.150 nan 0.000 0.444 58 R N -0.087 120.415 120.500 0.003 0.000 2.105 58 R HA -0.101 4.240 4.340 0.001 0.000 0.239 58 R C 0.783 177.093 176.300 0.016 0.000 1.135 58 R CA 1.334 57.438 56.100 0.007 0.000 0.967 58 R CB -0.122 30.184 30.300 0.010 0.000 0.861 58 R HN 0.440 nan 8.270 nan 0.000 0.442 59 E N 0.362 120.574 120.200 0.020 0.000 2.403 59 E HA 0.060 4.410 4.350 0.001 0.000 0.187 59 E C -0.010 176.596 176.600 0.011 0.000 1.073 59 E CA 0.227 56.642 56.400 0.024 0.000 0.888 59 E CB 0.245 29.959 29.700 0.023 0.000 1.035 59 E HN 0.191 nan 8.360 nan 0.000 0.471 60 I N 1.188 121.762 120.570 0.006 0.000 2.392 60 I HA 0.311 4.482 4.170 0.001 0.000 0.295 60 I C 0.325 176.443 176.117 0.001 0.000 0.985 60 I CA -0.582 60.719 61.300 0.002 0.000 1.221 60 I CB 1.200 39.200 38.000 0.000 0.000 1.366 60 I HN -0.045 nan 8.210 nan 0.000 0.467 61 E N 6.412 126.612 120.200 -0.000 0.000 2.454 61 E HA 0.201 4.551 4.350 0.001 0.000 0.315 61 E C -1.751 174.847 176.600 -0.002 0.000 0.907 61 E CA -0.530 55.868 56.400 -0.003 0.000 0.797 61 E CB 1.461 31.160 29.700 -0.001 0.000 1.396 61 E HN 0.328 nan 8.360 nan 0.000 0.389 62 L N 2.975 124.197 121.223 -0.002 0.000 2.472 62 L HA 0.145 4.485 4.340 0.001 0.000 0.260 62 L C 1.785 178.658 176.870 0.004 0.000 1.209 62 L CA 0.849 55.692 54.840 0.004 0.000 0.817 62 L CB 0.795 42.860 42.059 0.010 0.000 1.106 62 L HN 0.831 nan 8.230 nan 0.000 0.479 63 E N 0.376 120.582 120.200 0.010 0.000 2.046 63 E HA -0.148 4.202 4.350 0.001 0.000 0.190 63 E C 0.193 176.809 176.600 0.027 0.000 0.982 63 E CA 0.286 56.695 56.400 0.014 0.000 0.800 63 E CB 0.228 29.937 29.700 0.015 0.000 0.756 63 E HN 0.592 nan 8.360 nan 0.000 0.449 64 D N 1.123 121.547 120.400 0.040 0.000 2.349 64 D HA -0.063 4.577 4.640 0.001 0.000 0.266 64 D C 0.570 176.916 176.300 0.077 0.000 1.293 64 D CA 0.084 54.130 54.000 0.078 0.000 0.926 64 D CB 0.748 41.594 40.800 0.077 0.000 1.090 64 D HN -0.002 nan 8.370 nan 0.000 0.502 65 K N 3.445 123.887 120.400 0.070 0.000 2.283 65 K HA -0.097 4.223 4.320 0.001 0.000 0.202 65 K C 1.650 178.149 176.600 -0.170 0.000 1.048 65 K CA 0.669 56.913 56.287 -0.072 0.000 0.948 65 K CB -0.138 32.270 32.500 -0.152 0.000 0.742 65 K HN 0.485 nan 8.250 nan 0.000 0.458 66 F N 1.504 121.435 119.950 -0.031 0.000 2.270 66 F HA 0.007 4.534 4.527 0.001 0.000 0.295 66 F C 2.215 177.998 175.800 -0.027 0.000 1.087 66 F CA 0.728 58.706 58.000 -0.037 0.000 1.365 66 F CB -0.116 38.855 39.000 -0.048 0.000 1.056 66 F HN 0.049 nan 8.300 nan 0.000 0.506 67 E N 0.101 120.395 120.200 0.157 0.000 2.150 67 E HA -0.223 4.128 4.350 0.001 0.000 0.193 67 E C 1.681 178.302 176.600 0.035 0.000 0.985 67 E CA 1.028 57.475 56.400 0.077 0.000 0.814 67 E CB -0.285 29.452 29.700 0.062 0.000 0.752 67 E HN 0.262 nan 8.360 nan 0.000 0.466 68 N N 0.795 119.503 118.700 0.014 0.000 2.149 68 N HA -0.152 4.588 4.740 0.001 0.000 0.188 68 N C 1.672 177.165 175.510 -0.029 0.000 1.019 68 N CA 1.248 54.289 53.050 -0.015 0.000 0.857 68 N CB 0.008 38.474 38.487 -0.035 0.000 0.997 68 N HN 0.112 nan 8.380 nan 0.000 0.426 69 M N -0.964 118.609 119.600 -0.045 0.000 2.117 69 M HA -0.047 4.434 4.480 0.001 0.000 0.262 69 M C 2.166 178.459 176.300 -0.012 0.000 1.065 69 M CA 1.662 56.935 55.300 -0.045 0.000 1.114 69 M CB -0.571 31.989 32.600 -0.067 0.000 1.361 69 M HN 0.265 nan 8.290 nan 0.000 0.408 70 G N -0.004 108.801 108.800 0.008 0.000 2.433 70 G HA2 -0.132 3.828 3.960 0.001 0.000 0.216 70 G HA3 -0.132 3.828 3.960 0.001 0.000 0.216 70 G C 1.636 176.541 174.900 0.008 0.000 1.186 70 G CA 0.937 46.046 45.100 0.015 0.000 0.779 70 G HN 0.535 nan 8.290 nan 0.000 0.543 71 A N -0.119 122.704 122.820 0.005 0.000 1.978 71 A HA -0.087 4.233 4.320 0.001 0.000 0.220 71 A C 2.374 179.955 177.584 -0.005 0.000 1.170 71 A CA 1.916 53.954 52.037 0.002 0.000 0.636 71 A CB -0.339 18.662 19.000 0.002 0.000 0.810 71 A HN 0.350 nan 8.150 nan 0.000 0.448 72 Q N -0.811 118.982 119.800 -0.011 0.000 2.079 72 Q HA -0.120 4.220 4.340 0.001 0.000 0.200 72 Q C 2.210 178.201 176.000 -0.014 0.000 0.974 72 Q CA 1.606 57.399 55.803 -0.016 0.000 0.840 72 Q CB -0.352 28.371 28.738 -0.024 0.000 0.898 72 Q HN 0.788 nan 8.270 nan 0.000 0.430 73 M N 0.144 119.739 119.600 -0.008 0.000 2.086 73 M HA -0.143 4.338 4.480 0.001 0.000 0.261 73 M C 2.241 178.539 176.300 -0.003 0.000 1.067 73 M CA 1.407 56.704 55.300 -0.004 0.000 1.116 73 M CB -0.320 32.283 32.600 0.005 0.000 1.348 73 M HN 0.099 nan 8.290 nan 0.000 0.407 74 V N -2.090 117.824 119.914 0.000 0.000 3.041 74 V HA -0.097 4.023 4.120 0.001 0.000 0.260 74 V C 2.043 178.133 176.094 -0.008 0.000 1.105 74 V CA 1.257 63.558 62.300 0.001 0.000 1.125 74 V CB -1.087 30.741 31.823 0.008 0.000 0.730 74 V HN 0.434 nan 8.190 nan 0.000 0.479 75 K N 1.133 121.526 120.400 -0.012 0.000 2.026 75 K HA -0.277 4.044 4.320 0.001 0.000 0.208 75 K C 2.255 178.834 176.600 -0.034 0.000 1.048 75 K CA 2.188 58.464 56.287 -0.019 0.000 0.929 75 K CB -0.140 32.351 32.500 -0.016 0.000 0.713 75 K HN 0.665 nan 8.250 nan 0.000 0.439 76 E N 0.061 120.238 120.200 -0.039 0.000 2.072 76 E HA -0.146 4.204 4.350 0.001 0.000 0.191 76 E C 1.913 178.459 176.600 -0.091 0.000 0.985 76 E CA 0.914 57.275 56.400 -0.065 0.000 0.801 76 E CB 0.042 29.709 29.700 -0.054 0.000 0.750 76 E HN 0.147 nan 8.360 nan 0.000 0.452 77 V N 0.567 120.450 119.914 -0.051 0.000 2.490 77 V HA -0.248 3.872 4.120 0.001 0.000 0.250 77 V C 2.158 178.225 176.094 -0.046 0.000 1.061 77 V CA 1.946 64.224 62.300 -0.037 0.000 1.064 77 V CB -0.369 31.467 31.823 0.022 0.000 0.670 77 V HN 0.494 nan 8.190 nan 0.000 0.461 78 A N -1.655 121.143 122.820 -0.036 0.000 1.969 78 A HA -0.166 4.154 4.320 0.001 0.000 0.218 78 A C 2.510 180.060 177.584 -0.056 0.000 1.169 78 A CA 2.031 54.050 52.037 -0.030 0.000 0.635 78 A CB -0.619 18.372 19.000 -0.016 0.000 0.810 78 A HN 0.521 nan 8.150 nan 0.000 0.445 79 S N -0.920 114.728 115.700 -0.085 0.000 2.362 79 S HA -0.083 4.388 4.470 0.001 0.000 0.221 79 S C 2.107 176.610 174.600 -0.161 0.000 1.032 79 S CA 1.174 59.315 58.200 -0.098 0.000 0.973 79 S CB -0.229 62.916 63.200 -0.090 0.000 0.849 79 S HN 0.393 nan 8.310 nan 0.000 0.465 80 K N 1.353 121.575 120.400 -0.297 0.000 2.283 80 K HA 0.106 4.426 4.320 0.001 0.000 0.202 80 K C 2.047 178.374 176.600 -0.456 0.000 1.048 80 K CA 0.904 56.879 56.287 -0.521 0.000 0.948 80 K CB -0.649 31.263 32.500 -0.980 0.000 0.742 80 K HN 0.417 nan 8.250 nan 0.000 0.458 81 A N 1.713 124.390 122.820 -0.237 0.000 1.858 81 A HA -0.197 4.124 4.320 0.001 0.000 0.216 81 A C 2.040 179.628 177.584 0.006 0.000 1.190 81 A CA 1.792 53.830 52.037 0.001 0.000 0.617 81 A CB -0.609 18.420 19.000 0.048 0.000 0.827 81 A HN 0.396 nan 8.150 nan 0.000 0.443 82 N N -0.455 118.233 118.700 -0.021 0.000 2.396 82 N HA -0.130 4.611 4.740 0.001 0.000 0.180 82 N C 0.555 176.057 175.510 -0.012 0.000 1.028 82 N CA 1.213 54.261 53.050 -0.004 0.000 0.893 82 N CB -0.177 38.307 38.487 -0.005 0.000 0.967 82 N HN 0.384 nan 8.380 nan 0.000 0.440 83 D N 0.049 120.423 120.400 -0.044 0.000 2.224 83 D HA -0.006 4.635 4.640 0.001 0.000 0.205 83 D C 1.221 177.511 176.300 -0.016 0.000 0.965 83 D CA 0.665 54.640 54.000 -0.042 0.000 0.852 83 D CB 0.252 41.006 40.800 -0.076 0.000 0.947 83 D HN 0.390 nan 8.370 nan 0.000 0.494 84 A N -0.513 122.313 122.820 0.010 0.000 2.226 84 A HA 0.593 4.914 4.320 0.001 0.000 0.207 84 A C 1.666 179.302 177.584 0.087 0.000 1.293 84 A CA 0.759 52.838 52.037 0.069 0.000 0.968 84 A CB 0.711 19.806 19.000 0.159 0.000 1.044 84 A HN 0.151 nan 8.150 nan 0.000 0.493 85 A N -2.542 120.331 122.820 0.088 0.000 2.027 85 A HA 0.537 4.857 4.320 0.001 0.000 0.196 85 A C 1.588 179.211 177.584 0.066 0.000 1.573 85 A CA 1.262 53.349 52.037 0.084 0.000 1.097 85 A CB 0.017 19.084 19.000 0.111 0.000 1.196 85 A HN 1.857 nan 8.150 nan 0.000 0.462 86 G N 0.003 108.836 108.800 0.056 0.000 2.992 86 G HA2 -0.157 3.804 3.960 0.001 0.000 0.229 86 G HA3 -0.157 3.804 3.960 0.001 0.000 0.229 86 G C -0.015 174.910 174.900 0.041 0.000 1.969 86 G CA 0.340 45.469 45.100 0.048 0.000 1.603 86 G HN 0.702 nan 8.290 nan 0.000 0.573 87 D N 0.924 121.350 120.400 0.043 0.000 2.411 87 D HA 0.525 5.165 4.640 0.001 0.000 0.251 87 D C 1.309 177.638 176.300 0.048 0.000 1.201 87 D CA 1.587 55.610 54.000 0.039 0.000 0.996 87 D CB 0.765 41.586 40.800 0.035 0.000 1.101 87 D HN 1.793 nan 8.370 nan 0.000 0.504 88 G N -0.382 108.445 108.800 0.045 0.000 2.175 88 G HA2 -0.260 3.701 3.960 0.001 0.000 0.182 88 G HA3 -0.260 3.701 3.960 0.001 0.000 0.182 88 G C 1.034 175.963 174.900 0.049 0.000 1.003 88 G CA 0.929 46.062 45.100 0.055 0.000 0.666 88 G HN 0.710 nan 8.290 nan 0.000 0.506 89 T N -1.889 112.684 114.554 0.031 0.000 2.614 89 T HA -0.103 4.248 4.350 0.001 0.000 0.263 89 T C 2.228 176.940 174.700 0.020 0.000 1.055 89 T CA 2.708 64.818 62.100 0.017 0.000 1.162 89 T CB -0.883 67.988 68.868 0.006 0.000 0.863 89 T HN 0.257 nan 8.240 nan 0.000 0.414 90 T N 1.927 116.493 114.554 0.020 0.000 2.788 90 T HA -0.087 4.263 4.350 0.001 0.000 0.268 90 T C 2.266 176.982 174.700 0.027 0.000 1.044 90 T CA 1.836 63.949 62.100 0.020 0.000 1.139 90 T CB -1.014 67.865 68.868 0.018 0.000 0.867 90 T HN 0.595 nan 8.240 nan 0.000 0.454 91 T N 2.266 116.840 114.554 0.033 0.000 2.652 91 T HA -0.096 4.254 4.350 0.001 0.000 0.267 91 T C 2.432 177.159 174.700 0.044 0.000 1.039 91 T CA 1.277 63.400 62.100 0.038 0.000 1.153 91 T CB -0.668 68.225 68.868 0.041 0.000 0.863 91 T HN 0.448 nan 8.240 nan 0.000 0.428 92 A N 1.487 124.341 122.820 0.056 0.000 1.902 92 A HA -0.133 4.187 4.320 0.001 0.000 0.217 92 A C 2.582 180.198 177.584 0.053 0.000 1.181 92 A CA 2.109 54.189 52.037 0.071 0.000 0.623 92 A CB -1.318 17.743 19.000 0.103 0.000 0.818 92 A HN 0.507 nan 8.150 nan 0.000 0.443 93 T N -0.456 114.120 114.554 0.037 0.000 2.746 93 T HA -0.112 4.238 4.350 0.001 0.000 0.267 93 T C 1.857 176.573 174.700 0.026 0.000 1.039 93 T CA 1.527 63.643 62.100 0.027 0.000 1.142 93 T CB -0.444 68.435 68.868 0.018 0.000 0.866 93 T HN 0.142 nan 8.240 nan 0.000 0.444 94 V N 1.375 121.304 119.914 0.026 0.000 2.343 94 V HA -0.099 4.021 4.120 0.001 0.000 0.247 94 V C 2.471 178.580 176.094 0.025 0.000 1.051 94 V CA 1.412 63.726 62.300 0.023 0.000 1.036 94 V CB -0.618 31.219 31.823 0.023 0.000 0.654 94 V HN 0.424 nan 8.190 nan 0.000 0.451 95 L N -0.195 121.046 121.223 0.030 0.000 2.056 95 L HA -0.137 4.204 4.340 0.001 0.000 0.207 95 L C 2.734 179.622 176.870 0.030 0.000 1.078 95 L CA 1.523 56.381 54.840 0.030 0.000 0.749 95 L CB -0.800 41.280 42.059 0.035 0.000 0.901 95 L HN 0.354 nan 8.230 nan 0.000 0.433 96 A N 0.688 123.529 122.820 0.034 0.000 1.865 96 A HA -0.297 4.024 4.320 0.001 0.000 0.217 96 A C 2.246 179.845 177.584 0.026 0.000 1.191 96 A CA 2.000 54.057 52.037 0.033 0.000 0.623 96 A CB -0.760 18.262 19.000 0.037 0.000 0.826 96 A HN 0.629 nan 8.150 nan 0.000 0.444 97 Q N -0.602 119.211 119.800 0.023 0.000 2.135 97 Q HA -0.034 4.306 4.340 0.001 0.000 0.204 97 Q C 1.981 177.991 176.000 0.017 0.000 0.981 97 Q CA 1.912 57.726 55.803 0.019 0.000 0.856 97 Q CB -0.555 28.193 28.738 0.016 0.000 0.902 97 Q HN 0.512 nan 8.270 nan 0.000 0.425 98 A N 1.169 124.000 122.820 0.018 0.000 1.898 98 A HA -0.002 4.319 4.320 0.001 0.000 0.214 98 A C 2.133 179.727 177.584 0.016 0.000 1.183 98 A CA 1.018 53.064 52.037 0.015 0.000 0.622 98 A CB -0.454 18.555 19.000 0.015 0.000 0.824 98 A HN 0.392 nan 8.150 nan 0.000 0.444 99 I N -0.260 120.321 120.570 0.018 0.000 2.315 99 I HA -0.221 3.949 4.170 0.001 0.000 0.248 99 I C 2.202 178.329 176.117 0.017 0.000 1.117 99 I CA 1.075 62.385 61.300 0.017 0.000 1.404 99 I CB -0.327 37.684 38.000 0.019 0.000 1.071 99 I HN 0.269 nan 8.210 nan 0.000 0.419 100 I N 0.415 120.997 120.570 0.019 0.000 2.226 100 I HA -0.281 3.889 4.170 0.001 0.000 0.245 100 I C 2.566 178.693 176.117 0.016 0.000 1.100 100 I CA 1.553 62.864 61.300 0.019 0.000 1.374 100 I CB -0.570 37.442 38.000 0.020 0.000 1.057 100 I HN 0.230 nan 8.210 nan 0.000 0.413 101 T N 0.141 114.703 114.554 0.015 0.000 2.674 101 T HA -0.158 4.193 4.350 0.001 0.000 0.265 101 T C 1.825 176.532 174.700 0.012 0.000 1.039 101 T CA 1.290 63.398 62.100 0.013 0.000 1.150 101 T CB -0.162 68.713 68.868 0.011 0.000 0.864 101 T HN 0.284 nan 8.240 nan 0.000 0.427 102 E N 0.595 120.801 120.200 0.011 0.000 2.152 102 E HA 0.015 4.366 4.350 0.001 0.000 0.192 102 E C 2.510 179.116 176.600 0.011 0.000 0.983 102 E CA 0.896 57.302 56.400 0.010 0.000 0.818 102 E CB -0.722 28.984 29.700 0.009 0.000 0.758 102 E HN 0.565 nan 8.360 nan 0.000 0.467 103 G N 1.269 110.076 108.800 0.012 0.000 2.404 103 G HA2 -0.185 3.776 3.960 0.001 0.000 0.215 103 G HA3 -0.185 3.776 3.960 0.001 0.000 0.215 103 G C 1.739 176.647 174.900 0.014 0.000 1.174 103 G CA 0.313 45.421 45.100 0.013 0.000 0.780 103 G HN 0.161 nan 8.290 nan 0.000 0.537 104 L N 0.178 121.410 121.223 0.015 0.000 2.083 104 L HA -0.046 4.294 4.340 0.001 0.000 0.209 104 L C 2.818 179.696 176.870 0.013 0.000 1.083 104 L CA 1.319 56.168 54.840 0.015 0.000 0.752 104 L CB -0.307 41.761 42.059 0.016 0.000 0.899 104 L HN 0.223 nan 8.230 nan 0.000 0.433 105 K N 0.476 120.883 120.400 0.011 0.000 2.057 105 K HA -0.204 4.116 4.320 0.001 0.000 0.207 105 K C 2.138 178.744 176.600 0.009 0.000 1.049 105 K CA 1.446 57.739 56.287 0.009 0.000 0.931 105 K CB -0.060 32.445 32.500 0.008 0.000 0.714 105 K HN 0.277 nan 8.250 nan 0.000 0.440 106 A N 0.612 123.438 122.820 0.009 0.000 1.898 106 A HA -0.094 4.227 4.320 0.001 0.000 0.216 106 A C 2.216 179.806 177.584 0.010 0.000 1.181 106 A CA 1.455 53.497 52.037 0.009 0.000 0.620 106 A CB -0.546 18.459 19.000 0.009 0.000 0.819 106 A HN 0.174 nan 8.150 nan 0.000 0.442 107 V N -0.152 119.769 119.914 0.012 0.000 2.343 107 V HA -0.255 3.865 4.120 0.001 0.000 0.247 107 V C 3.002 179.104 176.094 0.013 0.000 1.051 107 V CA 1.951 64.259 62.300 0.014 0.000 1.036 107 V CB -1.113 30.721 31.823 0.017 0.000 0.654 107 V HN 0.610 nan 8.190 nan 0.000 0.451 108 A N -0.223 122.605 122.820 0.012 0.000 1.968 108 A HA 0.037 4.357 4.320 0.001 0.000 0.217 108 A C 2.342 179.932 177.584 0.009 0.000 1.169 108 A CA 1.578 53.622 52.037 0.011 0.000 0.638 108 A CB -0.551 18.456 19.000 0.010 0.000 0.812 108 A HN 0.556 nan 8.150 nan 0.000 0.446 109 A N -1.744 121.081 122.820 0.008 0.000 2.067 109 A HA 0.350 4.670 4.320 0.001 0.000 0.219 109 A C 1.849 179.437 177.584 0.007 0.000 1.158 109 A CA 1.608 53.650 52.037 0.007 0.000 0.661 109 A CB -0.702 18.301 19.000 0.006 0.000 0.801 109 A HN 1.826 nan 8.150 nan 0.000 0.452 110 G N -2.955 105.850 108.800 0.008 0.000 2.154 110 G HA2 -0.149 3.811 3.960 0.001 0.000 0.186 110 G HA3 -0.149 3.811 3.960 0.001 0.000 0.186 110 G C -0.002 174.902 174.900 0.008 0.000 1.000 110 G CA 0.097 45.202 45.100 0.008 0.000 0.664 110 G HN 0.252 nan 8.290 nan 0.000 0.513 111 M N 1.144 120.749 119.600 0.008 0.000 2.248 111 M HA 0.320 4.800 4.480 0.001 0.000 0.337 111 M C 0.747 177.052 176.300 0.010 0.000 1.121 111 M CA -0.505 54.800 55.300 0.008 0.000 1.155 111 M CB 0.278 32.883 32.600 0.008 0.000 1.514 111 M HN 0.268 nan 8.290 nan 0.000 0.452 112 N N 3.288 121.994 118.700 0.009 0.000 2.440 112 N HA 0.082 4.822 4.740 0.001 0.000 0.265 112 N C -2.078 173.439 175.510 0.012 0.000 1.239 112 N CA -1.363 51.693 53.050 0.010 0.000 0.909 112 N CB 0.620 39.112 38.487 0.009 0.000 1.066 112 N HN 0.265 nan 8.380 nan 0.000 0.474 113 P HA -0.154 nan 4.420 nan 0.000 0.217 113 P C 1.154 178.462 177.300 0.015 0.000 1.148 113 P CA 1.155 64.264 63.100 0.016 0.000 0.828 113 P CB 0.146 31.858 31.700 0.020 0.000 0.783 114 M N -1.115 118.494 119.600 0.014 0.000 2.349 114 M HA -0.032 4.448 4.480 0.001 0.000 0.266 114 M C 1.325 177.631 176.300 0.010 0.000 1.076 114 M CA 1.541 56.848 55.300 0.012 0.000 1.126 114 M CB -0.694 31.913 32.600 0.012 0.000 1.392 114 M HN -0.211 nan 8.290 nan 0.000 0.440 115 D N -0.596 119.810 120.400 0.009 0.000 2.213 115 D HA -0.010 4.630 4.640 0.001 0.000 0.205 115 D C 1.956 178.261 176.300 0.007 0.000 0.961 115 D CA 0.913 54.917 54.000 0.007 0.000 0.853 115 D CB 0.080 40.884 40.800 0.007 0.000 0.967 115 D HN 0.343 nan 8.370 nan 0.000 0.496 116 L N 1.141 122.369 121.223 0.009 0.000 2.012 116 L HA -0.202 4.138 4.340 0.001 0.000 0.210 116 L C 2.619 179.495 176.870 0.009 0.000 1.073 116 L CA 1.259 56.104 54.840 0.009 0.000 0.748 116 L CB -0.401 41.664 42.059 0.011 0.000 0.891 116 L HN -0.043 nan 8.230 nan 0.000 0.431 117 K N 0.358 120.764 120.400 0.011 0.000 2.009 117 K HA -0.211 4.109 4.320 0.001 0.000 0.210 117 K C 2.326 178.931 176.600 0.008 0.000 1.049 117 K CA 1.513 57.806 56.287 0.010 0.000 0.929 117 K CB -0.047 32.461 32.500 0.012 0.000 0.714 117 K HN 0.167 nan 8.250 nan 0.000 0.440 118 R N -0.568 119.936 120.500 0.007 0.000 2.117 118 R HA -0.132 4.209 4.340 0.001 0.000 0.243 118 R C 2.422 178.724 176.300 0.003 0.000 1.143 118 R CA 1.475 57.578 56.100 0.005 0.000 0.968 118 R CB -0.468 29.835 30.300 0.005 0.000 0.863 118 R HN 0.420 nan 8.270 nan 0.000 0.444 119 G N 0.781 109.583 108.800 0.004 0.000 2.394 119 G HA2 -0.183 3.777 3.960 0.001 0.000 0.215 119 G HA3 -0.183 3.777 3.960 0.001 0.000 0.215 119 G C 1.445 176.346 174.900 0.002 0.000 1.165 119 G CA 0.333 45.435 45.100 0.003 0.000 0.784 119 G HN 0.142 nan 8.290 nan 0.000 0.535 120 I N 1.008 121.580 120.570 0.004 0.000 2.127 120 I HA -0.159 4.011 4.170 0.001 0.000 0.241 120 I C 2.370 178.487 176.117 -0.000 0.000 1.075 120 I CA 1.302 62.604 61.300 0.003 0.000 1.334 120 I CB -0.184 37.820 38.000 0.007 0.000 1.040 120 I HN 0.049 nan 8.210 nan 0.000 0.405 121 D N 0.811 121.211 120.400 -0.000 0.000 2.104 121 D HA -0.234 4.406 4.640 0.001 0.000 0.194 121 D C 2.093 178.389 176.300 -0.006 0.000 0.994 121 D CA 1.356 55.353 54.000 -0.004 0.000 0.830 121 D CB -0.212 40.586 40.800 -0.002 0.000 0.959 121 D HN 0.294 nan 8.370 nan 0.000 0.452 122 K N 0.597 120.995 120.400 -0.004 0.000 2.097 122 K HA -0.080 4.240 4.320 0.001 0.000 0.206 122 K C 2.008 178.605 176.600 -0.005 0.000 1.049 122 K CA 1.169 57.453 56.287 -0.004 0.000 0.933 122 K CB 0.006 32.505 32.500 -0.002 0.000 0.717 122 K HN 0.005 nan 8.250 nan 0.000 0.442 123 A N 0.554 123.372 122.820 -0.004 0.000 1.933 123 A HA -0.092 4.229 4.320 0.001 0.000 0.218 123 A C 2.196 179.775 177.584 -0.007 0.000 1.175 123 A CA 1.427 53.462 52.037 -0.004 0.000 0.628 123 A CB -0.540 18.459 19.000 -0.001 0.000 0.814 123 A HN 0.164 nan 8.150 nan 0.000 0.444 124 V N -0.352 119.556 119.914 -0.011 0.000 2.261 124 V HA -0.251 3.870 4.120 0.001 0.000 0.246 124 V C 2.761 178.842 176.094 -0.021 0.000 1.047 124 V CA 2.558 64.847 62.300 -0.019 0.000 1.015 124 V CB -1.302 30.506 31.823 -0.025 0.000 0.642 124 V HN 0.600 nan 8.190 nan 0.000 0.446 125 T N 0.414 114.957 114.554 -0.018 0.000 2.635 125 T HA -0.275 4.075 4.350 0.001 0.000 0.267 125 T C 2.023 176.715 174.700 -0.013 0.000 1.040 125 T CA 2.035 64.125 62.100 -0.017 0.000 1.156 125 T CB -0.541 68.319 68.868 -0.013 0.000 0.863 125 T HN 0.595 nan 8.240 nan 0.000 0.430 126 A N 1.362 124.176 122.820 -0.010 0.000 1.877 126 A HA 0.120 4.440 4.320 0.001 0.000 0.216 126 A C 2.669 180.249 177.584 -0.007 0.000 1.186 126 A CA 2.052 54.085 52.037 -0.007 0.000 0.620 126 A CB -1.229 17.768 19.000 -0.005 0.000 0.822 126 A HN 0.532 nan 8.150 nan 0.000 0.443 127 A N -0.669 122.146 122.820 -0.008 0.000 1.902 127 A HA -0.014 4.306 4.320 0.001 0.000 0.217 127 A C 2.223 179.801 177.584 -0.010 0.000 1.181 127 A CA 1.805 53.837 52.037 -0.007 0.000 0.623 127 A CB -0.974 18.022 19.000 -0.007 0.000 0.818 127 A HN 0.416 nan 8.150 nan 0.000 0.443 128 V N 0.152 120.056 119.914 -0.017 0.000 2.407 128 V HA -0.207 3.914 4.120 0.001 0.000 0.248 128 V C 2.535 178.621 176.094 -0.014 0.000 1.055 128 V CA 2.157 64.444 62.300 -0.020 0.000 1.049 128 V CB -0.590 31.214 31.823 -0.031 0.000 0.662 128 V HN 0.522 nan 8.190 nan 0.000 0.455 129 E N -0.609 119.585 120.200 -0.011 0.000 2.170 129 E HA -0.101 4.249 4.350 0.001 0.000 0.191 129 E C 2.300 178.898 176.600 -0.003 0.000 0.981 129 E CA 0.418 56.814 56.400 -0.007 0.000 0.830 129 E CB -0.104 29.592 29.700 -0.006 0.000 0.775 129 E HN 0.569 nan 8.360 nan 0.000 0.470 130 E N 0.892 121.091 120.200 -0.003 0.000 2.153 130 E HA -0.119 4.231 4.350 0.001 0.000 0.194 130 E C 2.275 178.876 176.600 0.002 0.000 0.988 130 E CA 0.397 56.797 56.400 0.000 0.000 0.811 130 E CB -0.208 29.493 29.700 0.001 0.000 0.746 130 E HN 0.296 nan 8.360 nan 0.000 0.466 131 L N 0.553 121.777 121.223 0.001 0.000 2.261 131 L HA -0.185 4.156 4.340 0.001 0.000 0.216 131 L C 1.933 178.806 176.870 0.004 0.000 1.114 131 L CA 0.952 55.794 54.840 0.004 0.000 0.777 131 L CB -0.207 41.853 42.059 0.002 0.000 0.910 131 L HN -0.048 nan 8.230 nan 0.000 0.440 132 K N 0.046 120.448 120.400 0.002 0.000 2.432 132 K HA 0.030 4.350 4.320 0.001 0.000 0.196 132 K C 1.753 178.355 176.600 0.004 0.000 1.038 132 K CA 0.801 57.090 56.287 0.003 0.000 0.986 132 K CB -0.159 32.342 32.500 0.001 0.000 0.782 132 K HN 0.203 nan 8.250 nan 0.000 0.485 133 A N -0.395 122.428 122.820 0.005 0.000 2.251 133 A HA 0.131 4.451 4.320 0.001 0.000 0.209 133 A C 1.301 178.890 177.584 0.008 0.000 1.187 133 A CA 0.589 52.630 52.037 0.006 0.000 0.823 133 A CB -0.013 18.990 19.000 0.005 0.000 0.846 133 A HN 0.137 nan 8.150 nan 0.000 0.486 134 L N -1.930 119.299 121.223 0.009 0.000 2.547 134 L HA 0.258 4.599 4.340 0.001 0.000 0.218 134 L C 1.288 178.165 176.870 0.011 0.000 1.048 134 L CA 0.701 55.548 54.840 0.012 0.000 0.859 134 L CB -0.281 41.786 42.059 0.014 0.000 1.128 134 L HN 0.159 nan 8.230 nan 0.000 0.483 135 S N -0.102 115.603 115.700 0.010 0.000 2.549 135 S HA 0.152 4.623 4.470 0.001 0.000 0.279 135 S C 1.288 175.893 174.600 0.008 0.000 1.321 135 S CA -0.057 58.148 58.200 0.009 0.000 1.054 135 S CB 1.100 64.304 63.200 0.008 0.000 0.899 135 S HN 0.174 nan 8.310 nan 0.000 0.497 136 V N 4.046 123.965 119.914 0.008 0.000 3.461 136 V HA 0.176 4.296 4.120 0.001 0.000 0.267 136 V C -0.699 175.399 176.094 0.006 0.000 1.186 136 V CA 0.083 62.387 62.300 0.007 0.000 1.154 136 V CB -1.865 29.963 31.823 0.007 0.000 0.802 136 V HN 0.674 nan 8.190 nan 0.000 0.474 137 P HA 0.031 nan 4.420 nan 0.000 0.213 137 P C 0.600 177.904 177.300 0.007 0.000 1.170 137 P CA 1.425 64.529 63.100 0.007 0.000 0.898 137 P CB -0.021 31.683 31.700 0.006 0.000 0.787 138 C N -4.690 114.614 119.300 0.006 0.000 3.068 138 C HA 0.488 4.948 4.460 0.001 0.000 0.344 138 C C 0.525 175.517 174.990 0.004 0.000 1.223 138 C CA 0.405 59.426 59.018 0.005 0.000 1.153 138 C CB 0.691 28.434 27.740 0.005 0.000 1.396 138 C HN 0.232 nan 8.230 nan 0.000 0.485 139 S N 0.545 116.247 115.700 0.003 0.000 3.324 139 S HA 0.150 4.621 4.470 0.001 0.000 0.229 139 S C -0.441 174.159 174.600 -0.000 0.000 1.043 139 S CA 0.762 58.963 58.200 0.001 0.000 1.107 139 S CB -0.492 62.709 63.200 0.002 0.000 1.057 139 S HN 1.039 nan 8.310 nan 0.000 0.418 140 D N 1.709 122.109 120.400 -0.000 0.000 2.362 140 D HA 0.210 4.850 4.640 0.001 0.000 0.242 140 D C 0.458 176.757 176.300 -0.003 0.000 1.132 140 D CA 0.125 54.124 54.000 -0.001 0.000 0.907 140 D CB 1.294 42.093 40.800 -0.001 0.000 1.195 140 D HN 0.186 nan 8.370 nan 0.000 0.429 141 S N 0.943 116.640 115.700 -0.004 0.000 2.453 141 S HA -0.122 4.348 4.470 0.001 0.000 0.231 141 S C 1.642 176.238 174.600 -0.006 0.000 1.005 141 S CA 0.468 58.665 58.200 -0.006 0.000 0.949 141 S CB -0.090 63.106 63.200 -0.006 0.000 0.774 141 S HN 0.553 nan 8.310 nan 0.000 0.510 142 K N 1.561 121.958 120.400 -0.005 0.000 2.057 142 K HA -0.003 4.318 4.320 0.001 0.000 0.206 142 K C 2.271 178.868 176.600 -0.005 0.000 1.050 142 K CA 1.055 57.339 56.287 -0.005 0.000 0.935 142 K CB -0.281 32.216 32.500 -0.005 0.000 0.715 142 K HN 0.313 nan 8.250 nan 0.000 0.439 143 A N 1.499 124.317 122.820 -0.003 0.000 1.877 143 A HA -0.148 4.173 4.320 0.001 0.000 0.216 143 A C 1.978 179.560 177.584 -0.003 0.000 1.186 143 A CA 1.248 53.284 52.037 -0.002 0.000 0.620 143 A CB -0.507 18.493 19.000 0.000 0.000 0.822 143 A HN 0.238 nan 8.150 nan 0.000 0.443 144 I N 0.195 120.763 120.570 -0.004 0.000 2.163 144 I HA -0.287 3.883 4.170 0.001 0.000 0.243 144 I C 2.947 179.060 176.117 -0.007 0.000 1.085 144 I CA 1.591 62.887 61.300 -0.006 0.000 1.347 144 I CB -1.683 36.313 38.000 -0.007 0.000 1.044 144 I HN 0.374 nan 8.210 nan 0.000 0.408 145 A N 0.008 122.823 122.820 -0.008 0.000 1.940 145 A HA -0.274 4.047 4.320 0.001 0.000 0.219 145 A C 2.369 179.948 177.584 -0.008 0.000 1.176 145 A CA 1.876 53.907 52.037 -0.009 0.000 0.631 145 A CB -0.744 18.250 19.000 -0.009 0.000 0.814 145 A HN 0.544 nan 8.150 nan 0.000 0.446 146 Q N -0.376 119.420 119.800 -0.007 0.000 2.050 146 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 146 Q C 2.021 178.019 176.000 -0.004 0.000 0.980 146 Q CA 1.917 57.716 55.803 -0.006 0.000 0.840 146 Q CB -0.198 28.537 28.738 -0.005 0.000 0.898 146 Q HN 0.428 nan 8.270 nan 0.000 0.424 147 V N 0.354 120.267 119.914 -0.002 0.000 2.392 147 V HA -0.232 3.888 4.120 0.001 0.000 0.249 147 V C 2.247 178.340 176.094 -0.001 0.000 1.059 147 V CA 1.871 64.171 62.300 0.001 0.000 1.051 147 V CB -1.119 30.705 31.823 0.002 0.000 0.658 147 V HN 0.605 nan 8.190 nan 0.000 0.455 148 G N 0.346 109.143 108.800 -0.006 0.000 2.418 148 G HA2 -0.272 3.688 3.960 0.001 0.000 0.217 148 G HA3 -0.272 3.688 3.960 0.001 0.000 0.217 148 G C 1.788 176.684 174.900 -0.007 0.000 1.158 148 G CA 1.626 46.721 45.100 -0.009 0.000 0.771 148 G HN 0.579 nan 8.290 nan 0.000 0.545 149 T N -0.195 114.355 114.554 -0.006 0.000 2.821 149 T HA 0.019 4.370 4.350 0.001 0.000 0.267 149 T C 2.389 177.088 174.700 -0.003 0.000 1.046 149 T CA 1.037 63.134 62.100 -0.006 0.000 1.139 149 T CB -0.243 68.620 68.868 -0.008 0.000 0.871 149 T HN 0.236 nan 8.240 nan 0.000 0.454 150 I N 1.484 122.053 120.570 -0.001 0.000 2.142 150 I HA -0.135 4.035 4.170 0.001 0.000 0.240 150 I C 2.951 179.072 176.117 0.007 0.000 1.078 150 I CA 1.467 62.769 61.300 0.003 0.000 1.343 150 I CB -0.462 37.542 38.000 0.006 0.000 1.046 150 I HN 0.287 nan 8.210 nan 0.000 0.405 151 S N 0.008 115.712 115.700 0.007 0.000 2.547 151 S HA 0.055 4.525 4.470 0.001 0.000 0.235 151 S C 1.557 176.162 174.600 0.008 0.000 0.980 151 S CA 0.940 59.146 58.200 0.010 0.000 0.941 151 S CB -0.132 63.074 63.200 0.010 0.000 0.763 151 S HN 0.455 nan 8.310 nan 0.000 0.532 152 A N 0.668 123.490 122.820 0.004 0.000 2.431 152 A HA 0.416 4.736 4.320 0.001 0.000 0.239 152 A C 0.653 178.239 177.584 0.003 0.000 1.230 152 A CA 0.133 52.172 52.037 0.003 0.000 0.928 152 A CB -0.532 18.467 19.000 -0.001 0.000 1.006 152 A HN 0.634 nan 8.150 nan 0.000 0.520 153 N N -0.294 118.408 118.700 0.004 0.000 2.727 153 N HA -0.226 4.514 4.740 0.001 0.000 0.251 153 N C 0.195 175.705 175.510 -0.000 0.000 1.040 153 N CA 0.767 53.819 53.050 0.004 0.000 0.712 153 N CB -1.161 37.329 38.487 0.006 0.000 0.912 153 N HN 0.428 nan 8.380 nan 0.000 0.545 154 S N -1.871 113.828 115.700 -0.003 0.000 2.990 154 S HA -0.195 4.275 4.470 0.001 0.000 0.273 154 S C -0.313 174.283 174.600 -0.007 0.000 1.323 154 S CA 0.539 58.736 58.200 -0.006 0.000 1.084 154 S CB -1.043 62.152 63.200 -0.008 0.000 1.323 154 S HN 0.733 nan 8.310 nan 0.000 0.682 155 D N 2.089 122.486 120.400 -0.005 0.000 2.346 155 D HA 0.120 4.761 4.640 0.001 0.000 0.267 155 D C 1.155 177.451 176.300 -0.008 0.000 1.320 155 D CA 0.242 54.239 54.000 -0.006 0.000 0.951 155 D CB 0.379 41.177 40.800 -0.004 0.000 1.079 155 D HN 0.527 nan 8.370 nan 0.000 0.509 156 E N 1.367 121.562 120.200 -0.008 0.000 2.204 156 E HA -0.174 4.176 4.350 0.001 0.000 0.195 156 E C 1.805 178.399 176.600 -0.009 0.000 0.990 156 E CA 1.377 57.771 56.400 -0.009 0.000 0.821 156 E CB 0.145 29.839 29.700 -0.010 0.000 0.750 156 E HN 0.634 nan 8.360 nan 0.000 0.477 157 T N -1.483 113.066 114.554 -0.009 0.000 2.851 157 T HA -0.050 4.300 4.350 0.001 0.000 0.262 157 T C 2.146 176.840 174.700 -0.010 0.000 1.043 157 T CA 0.712 62.806 62.100 -0.009 0.000 1.140 157 T CB -0.463 68.400 68.868 -0.008 0.000 0.872 157 T HN -0.034 nan 8.240 nan 0.000 0.446 158 V N 1.969 121.877 119.914 -0.010 0.000 2.427 158 V HA 0.066 4.186 4.120 0.001 0.000 0.248 158 V C 3.088 179.174 176.094 -0.014 0.000 1.051 158 V CA 1.709 64.002 62.300 -0.012 0.000 1.048 158 V CB -1.435 30.382 31.823 -0.010 0.000 0.666 158 V HN 0.693 nan 8.190 nan 0.000 0.456 159 G N -0.206 108.587 108.800 -0.012 0.000 2.421 159 G HA2 -0.313 3.648 3.960 0.001 0.000 0.216 159 G HA3 -0.313 3.648 3.960 0.001 0.000 0.216 159 G C 1.621 176.513 174.900 -0.013 0.000 1.171 159 G CA 1.138 46.231 45.100 -0.012 0.000 0.775 159 G HN 0.484 nan 8.290 nan 0.000 0.543 160 K N -0.409 119.983 120.400 -0.012 0.000 2.001 160 K HA -0.096 4.224 4.320 0.001 0.000 0.214 160 K C 2.449 179.040 176.600 -0.014 0.000 1.050 160 K CA 1.302 57.582 56.287 -0.012 0.000 0.934 160 K CB -0.270 32.224 32.500 -0.011 0.000 0.718 160 K HN 0.207 nan 8.250 nan 0.000 0.443 161 L N 1.281 122.495 121.223 -0.015 0.000 2.072 161 L HA -0.059 4.282 4.340 0.001 0.000 0.205 161 L C 2.246 179.102 176.870 -0.023 0.000 1.079 161 L CA 1.318 56.148 54.840 -0.018 0.000 0.752 161 L CB -0.474 41.575 42.059 -0.017 0.000 0.906 161 L HN 0.261 nan 8.230 nan 0.000 0.436 162 I N -0.752 119.802 120.570 -0.026 0.000 2.179 162 I HA -0.332 3.839 4.170 0.001 0.000 0.242 162 I C 2.556 178.656 176.117 -0.028 0.000 1.088 162 I CA 1.301 62.581 61.300 -0.033 0.000 1.357 162 I CB -0.494 37.484 38.000 -0.036 0.000 1.051 162 I HN 0.229 nan 8.210 nan 0.000 0.409 163 A N 0.203 123.010 122.820 -0.021 0.000 1.898 163 A HA -0.212 4.108 4.320 0.001 0.000 0.216 163 A C 2.232 179.806 177.584 -0.016 0.000 1.181 163 A CA 1.532 53.559 52.037 -0.017 0.000 0.620 163 A CB -0.558 18.433 19.000 -0.014 0.000 0.819 163 A HN 0.417 nan 8.150 nan 0.000 0.442 164 E N -0.346 119.844 120.200 -0.016 0.000 2.077 164 E HA -0.153 4.197 4.350 0.001 0.000 0.193 164 E C 2.337 178.928 176.600 -0.016 0.000 0.989 164 E CA 0.965 57.356 56.400 -0.015 0.000 0.800 164 E CB -0.247 29.445 29.700 -0.014 0.000 0.746 164 E HN 0.626 nan 8.360 nan 0.000 0.452 165 A N 1.070 123.877 122.820 -0.021 0.000 1.855 165 A HA -0.161 4.160 4.320 0.001 0.000 0.215 165 A C 2.149 179.719 177.584 -0.022 0.000 1.191 165 A CA 1.288 53.311 52.037 -0.023 0.000 0.613 165 A CB -0.437 18.544 19.000 -0.031 0.000 0.829 165 A HN 0.129 nan 8.150 nan 0.000 0.442 166 M N -0.608 118.977 119.600 -0.024 0.000 2.279 166 M HA -0.131 4.349 4.480 0.001 0.000 0.264 166 M C 1.877 178.168 176.300 -0.015 0.000 1.062 166 M CA 1.570 56.858 55.300 -0.021 0.000 1.099 166 M CB -0.390 32.197 32.600 -0.022 0.000 1.394 166 M HN 0.536 nan 8.290 nan 0.000 0.426 167 D N 0.755 121.147 120.400 -0.013 0.000 2.084 167 D HA -0.140 4.500 4.640 0.001 0.000 0.196 167 D C 1.744 178.038 176.300 -0.010 0.000 0.985 167 D CA 1.300 55.293 54.000 -0.010 0.000 0.826 167 D CB 0.161 40.955 40.800 -0.010 0.000 0.978 167 D HN 0.311 nan 8.370 nan 0.000 0.456 168 K N 0.044 120.438 120.400 -0.011 0.000 2.057 168 K HA -0.072 4.249 4.320 0.001 0.000 0.206 168 K C 1.965 178.560 176.600 -0.009 0.000 1.050 168 K CA 0.614 56.895 56.287 -0.010 0.000 0.935 168 K CB 0.090 32.584 32.500 -0.010 0.000 0.715 168 K HN 0.015 nan 8.250 nan 0.000 0.439 169 V N -0.010 119.898 119.914 -0.011 0.000 3.650 169 V HA 0.180 4.300 4.120 0.001 0.000 0.271 169 V C 0.114 176.203 176.094 -0.008 0.000 1.281 169 V CA 0.807 63.101 62.300 -0.009 0.000 1.120 169 V CB -0.013 31.803 31.823 -0.011 0.000 0.856 169 V HN 0.585 nan 8.190 nan 0.000 0.443 170 G N 0.449 109.244 108.800 -0.008 0.000 2.719 170 G HA2 -0.188 3.773 3.960 0.001 0.000 0.686 170 G HA3 -0.188 3.773 3.960 0.001 0.000 0.686 170 G C -0.030 174.865 174.900 -0.008 0.000 1.201 170 G CA 0.046 45.142 45.100 -0.006 0.000 0.768 170 G HN 0.322 nan 8.290 nan 0.000 0.629 171 K N 0.054 120.451 120.400 -0.006 0.000 2.296 171 K HA 0.072 4.392 4.320 0.001 0.000 0.200 171 K C 1.777 178.375 176.600 -0.003 0.000 1.048 171 K CA 1.364 57.647 56.287 -0.007 0.000 0.966 171 K CB 0.238 32.735 32.500 -0.005 0.000 0.754 171 K HN 0.411 nan 8.250 nan 0.000 0.466 172 E N 0.547 120.748 120.200 0.001 0.000 2.465 172 E HA 0.096 4.447 4.350 0.001 0.000 0.195 172 E C 0.392 176.995 176.600 0.005 0.000 1.028 172 E CA -0.238 56.165 56.400 0.005 0.000 0.899 172 E CB 0.262 29.966 29.700 0.007 0.000 1.032 172 E HN 0.273 nan 8.360 nan 0.000 0.468 173 G N -0.637 108.163 108.800 -0.000 0.000 2.510 173 G HA2 0.344 4.304 3.960 0.001 0.000 0.280 173 G HA3 0.344 4.304 3.960 0.001 0.000 0.280 173 G C -0.645 174.253 174.900 -0.003 0.000 1.386 173 G CA -0.504 44.595 45.100 -0.001 0.000 1.047 173 G HN 0.037 nan 8.290 nan 0.000 0.527 174 V N 0.453 120.364 119.914 -0.005 0.000 2.350 174 V HA 0.429 4.550 4.120 0.001 0.000 0.276 174 V C -0.596 175.486 176.094 -0.020 0.000 1.028 174 V CA -0.299 61.996 62.300 -0.007 0.000 0.860 174 V CB 0.595 32.416 31.823 -0.002 0.000 0.990 174 V HN 0.397 nan 8.190 nan 0.000 0.453 175 I N 4.585 125.133 120.570 -0.037 0.000 2.509 175 I HA 0.718 4.889 4.170 0.001 0.000 0.293 175 I C 0.378 176.458 176.117 -0.062 0.000 1.020 175 I CA 0.018 61.285 61.300 -0.055 0.000 1.088 175 I CB 2.354 40.307 38.000 -0.078 0.000 1.267 175 I HN 0.779 nan 8.210 nan 0.000 0.430 176 T N 2.746 117.275 114.554 -0.043 0.000 2.773 176 T HA 0.914 5.265 4.350 0.001 0.000 0.278 176 T C -0.928 173.754 174.700 -0.030 0.000 1.011 176 T CA -0.689 61.394 62.100 -0.029 0.000 1.014 176 T CB 1.658 70.526 68.868 -0.000 0.000 1.293 176 T HN 0.262 nan 8.240 nan 0.000 0.554 177 V N 0.697 120.604 119.914 -0.012 0.000 2.789 177 V HA 0.669 4.789 4.120 0.001 0.000 0.311 177 V C -0.657 175.438 176.094 0.001 0.000 1.073 177 V CA -0.886 61.408 62.300 -0.009 0.000 0.921 177 V CB 1.636 33.455 31.823 -0.006 0.000 1.009 177 V HN 1.035 nan 8.190 nan 0.000 0.426 178 E N 1.279 121.478 120.200 -0.001 0.000 2.312 178 E HA 0.506 4.857 4.350 0.001 0.000 0.267 178 E C -1.448 175.153 176.600 0.002 0.000 0.894 178 E CA -0.847 55.553 56.400 0.001 0.000 0.773 178 E CB 2.257 31.955 29.700 -0.003 0.000 1.241 178 E HN 0.775 nan 8.360 nan 0.000 0.432 179 D N 0.095 120.497 120.400 0.004 0.000 2.377 179 D HA 0.287 4.927 4.640 0.001 0.000 0.245 179 D C 0.094 176.395 176.300 0.002 0.000 1.196 179 D CA -0.114 53.889 54.000 0.004 0.000 0.962 179 D CB 0.533 41.337 40.800 0.006 0.000 1.127 179 D HN 0.416 nan 8.370 nan 0.000 0.471 180 G N -0.772 108.029 108.800 0.002 0.000 2.360 180 G HA2 0.248 4.208 3.960 0.001 0.000 0.279 180 G HA3 0.248 4.208 3.960 0.001 0.000 0.279 180 G C 1.107 176.007 174.900 0.000 0.000 1.189 180 G CA -0.364 44.737 45.100 0.001 0.000 0.941 180 G HN 0.506 nan 8.290 nan 0.000 0.445 181 T N 0.860 115.413 114.554 -0.001 0.000 2.777 181 T HA 0.301 4.651 4.350 0.001 0.000 0.266 181 T C 1.339 176.038 174.700 -0.001 0.000 1.040 181 T CA 1.120 63.219 62.100 -0.001 0.000 1.141 181 T CB 0.070 68.936 68.868 -0.003 0.000 0.868 181 T HN 1.023 nan 8.240 nan 0.000 0.444 182 G N 0.216 109.016 108.800 -0.001 0.000 2.604 182 G HA2 0.447 4.407 3.960 0.001 0.000 0.242 182 G HA3 0.447 4.407 3.960 0.001 0.000 0.242 182 G C -0.294 174.605 174.900 -0.001 0.000 1.208 182 G CA -0.180 44.920 45.100 -0.001 0.000 0.912 182 G HN 0.180 nan 8.290 nan 0.000 0.502 183 L N -0.158 121.064 121.223 -0.001 0.000 2.395 183 L HA 0.389 4.730 4.340 0.001 0.000 0.218 183 L C 0.415 177.284 176.870 -0.002 0.000 1.130 183 L CA 1.280 56.119 54.840 -0.001 0.000 0.826 183 L CB -0.310 41.748 42.059 -0.002 0.000 0.941 183 L HN 0.380 nan 8.230 nan 0.000 0.451 184 Q N -0.463 119.336 119.800 -0.003 0.000 2.421 184 Q HA 0.316 4.657 4.340 0.001 0.000 0.280 184 Q C -1.189 174.809 176.000 -0.004 0.000 1.085 184 Q CA -0.621 55.179 55.803 -0.004 0.000 0.807 184 Q CB 1.733 30.468 28.738 -0.004 0.000 1.405 184 Q HN 0.121 nan 8.270 nan 0.000 0.419 185 D N 0.930 121.327 120.400 -0.005 0.000 2.304 185 D HA 0.317 4.957 4.640 0.001 0.000 0.247 185 D C -0.375 175.921 176.300 -0.007 0.000 1.089 185 D CA -0.082 53.915 54.000 -0.006 0.000 0.910 185 D CB 1.093 41.889 40.800 -0.007 0.000 1.199 185 D HN 0.193 nan 8.370 nan 0.000 0.426 186 E N 0.509 120.705 120.200 -0.007 0.000 2.263 186 E HA 0.629 4.979 4.350 0.001 0.000 0.264 186 E C -0.999 175.595 176.600 -0.010 0.000 0.923 186 E CA -1.045 55.351 56.400 -0.008 0.000 0.802 186 E CB 2.398 32.094 29.700 -0.007 0.000 1.228 186 E HN 0.251 nan 8.360 nan 0.000 0.417 187 L N 1.795 123.012 121.223 -0.010 0.000 2.439 187 L HA 0.427 4.768 4.340 0.001 0.000 0.270 187 L C -1.531 175.333 176.870 -0.011 0.000 0.972 187 L CA -0.443 54.390 54.840 -0.012 0.000 0.836 187 L CB 1.253 43.304 42.059 -0.013 0.000 1.255 187 L HN 0.528 nan 8.230 nan 0.000 0.404 188 D N 3.689 124.083 120.400 -0.011 0.000 2.269 188 D HA 0.586 5.226 4.640 0.001 0.000 0.244 188 D C -0.940 175.353 176.300 -0.011 0.000 0.992 188 D CA -0.154 53.840 54.000 -0.010 0.000 0.894 188 D CB 2.956 43.750 40.800 -0.010 0.000 1.248 188 D HN 0.329 nan 8.370 nan 0.000 0.468 189 V N -0.974 118.934 119.914 -0.010 0.000 2.656 189 V HA 0.866 4.986 4.120 0.001 0.000 0.307 189 V C -0.439 175.650 176.094 -0.008 0.000 1.051 189 V CA -0.572 61.722 62.300 -0.010 0.000 0.893 189 V CB 1.584 33.402 31.823 -0.009 0.000 0.999 189 V HN 0.390 nan 8.190 nan 0.000 0.426 190 V N 1.741 121.651 119.914 -0.008 0.000 3.258 190 V HA 0.531 4.651 4.120 0.001 0.000 0.298 190 V C -0.859 175.232 176.094 -0.005 0.000 1.489 190 V CA -0.533 61.763 62.300 -0.007 0.000 1.062 190 V CB 2.422 34.240 31.823 -0.009 0.000 1.116 190 V HN 1.116 nan 8.190 nan 0.000 0.464 191 E N 0.930 121.127 120.200 -0.005 0.000 2.416 191 E HA 0.632 4.983 4.350 0.001 0.000 0.254 191 E C 0.264 176.865 176.600 0.002 0.000 1.241 191 E CA 0.645 57.044 56.400 -0.001 0.000 0.969 191 E CB 0.735 30.433 29.700 -0.002 0.000 0.999 191 E HN 1.434 nan 8.360 nan 0.000 0.481 192 G N -0.807 107.998 108.800 0.010 0.000 2.362 192 G HA2 0.308 4.268 3.960 0.001 0.000 0.288 192 G HA3 0.308 4.268 3.960 0.001 0.000 0.288 192 G C -1.450 173.470 174.900 0.033 0.000 1.305 192 G CA -0.355 44.757 45.100 0.019 0.000 0.910 192 G HN 0.466 nan 8.290 nan 0.000 0.518 193 M N 0.612 120.242 119.600 0.051 0.000 2.323 193 M HA 0.450 4.930 4.480 0.001 0.000 0.278 193 M C -1.532 174.824 176.300 0.094 0.000 1.069 193 M CA -0.564 54.786 55.300 0.084 0.000 0.950 193 M CB 1.957 34.628 32.600 0.118 0.000 1.879 193 M HN 0.794 nan 8.290 nan 0.000 0.491 194 Q N 5.043 124.880 119.800 0.061 0.000 2.257 194 Q HA 0.621 4.961 4.340 0.001 0.000 0.255 194 Q C -1.952 174.107 176.000 0.099 0.000 0.920 194 Q CA -0.436 55.363 55.803 -0.006 0.000 0.927 194 Q CB 1.162 29.889 28.738 -0.018 0.000 1.229 194 Q HN 0.610 nan 8.270 nan 0.000 0.433 195 F N 0.555 120.507 119.950 0.004 0.000 2.576 195 F HA 0.453 4.981 4.527 0.001 0.000 0.313 195 F C -0.714 175.086 175.800 -0.001 0.000 1.078 195 F CA -1.227 56.773 58.000 -0.000 0.000 0.921 195 F CB 1.250 40.249 39.000 -0.002 0.000 1.232 195 F HN 0.363 nan 8.300 nan 0.000 0.459 196 D N 1.465 121.967 120.400 0.169 0.000 2.690 196 D HA 0.235 4.875 4.640 0.001 0.000 0.236 196 D C -0.352 176.001 176.300 0.087 0.000 1.218 196 D CA 0.193 54.229 54.000 0.060 0.000 0.829 196 D CB -0.012 40.818 40.800 0.050 0.000 1.009 196 D HN 0.294 nan 8.370 nan 0.000 0.482 197 R N -0.406 120.197 120.500 0.172 0.000 2.711 197 R HA 0.811 5.151 4.340 0.001 0.000 0.284 197 R C 0.505 176.814 176.300 0.015 0.000 0.968 197 R CA -0.637 55.540 56.100 0.130 0.000 0.924 197 R CB 1.930 32.373 30.300 0.238 0.000 1.162 197 R HN 0.117 nan 8.270 nan 0.000 0.465 198 G N 0.156 108.923 108.800 -0.054 0.000 3.262 198 G HA2 0.313 4.274 3.960 0.001 0.000 0.229 198 G HA3 0.313 4.274 3.960 0.001 0.000 0.229 198 G C -1.141 173.737 174.900 -0.037 0.000 1.280 198 G CA -0.624 44.393 45.100 -0.138 0.000 0.951 198 G HN 0.522 nan 8.290 nan 0.000 0.589 199 Y N -0.442 119.909 120.300 0.085 0.000 2.683 199 Y HA 0.381 4.932 4.550 0.001 0.000 0.340 199 Y C 1.127 177.120 175.900 0.156 0.000 1.245 199 Y CA -0.714 57.491 58.100 0.175 0.000 1.485 199 Y CB 0.433 39.028 38.460 0.225 0.000 1.328 199 Y HN 0.187 nan 8.280 nan 0.000 0.603 200 L N 1.708 123.213 121.223 0.470 0.000 2.509 200 L HA 0.134 4.474 4.340 0.001 0.000 0.222 200 L C 0.679 177.665 176.870 0.193 0.000 1.123 200 L CA 0.732 55.761 54.840 0.315 0.000 0.856 200 L CB 0.054 42.297 42.059 0.305 0.000 0.985 200 L HN 0.769 nan 8.230 nan 0.000 0.456 201 S N -1.696 114.031 115.700 0.046 0.000 2.572 201 S HA 0.372 4.842 4.470 0.001 0.000 0.274 201 S C -2.199 171.999 174.600 -0.670 0.000 1.150 201 S CA -1.055 56.883 58.200 -0.437 0.000 0.944 201 S CB 1.647 64.275 63.200 -0.954 0.000 1.071 201 S HN -0.242 nan 8.310 nan 0.000 0.479 202 P HA -0.011 nan 4.420 nan 0.000 0.222 202 P C 0.432 177.331 177.300 -0.668 0.000 1.147 202 P CA 0.990 63.597 63.100 -0.822 0.000 0.790 202 P CB -0.114 31.212 31.700 -0.624 0.000 0.780 203 Y N -2.523 117.486 120.300 -0.485 0.000 2.680 203 Y HA -0.069 4.481 4.550 0.000 0.000 0.303 203 Y C 1.434 177.198 175.900 -0.227 0.000 1.166 203 Y CA 0.001 57.895 58.100 -0.343 0.000 1.344 203 Y CB -0.793 37.480 38.460 -0.311 0.000 1.002 203 Y HN -0.070 nan 8.280 nan 0.000 0.537 204 F N -0.498 119.414 119.950 -0.063 0.000 2.710 204 F HA 0.087 4.615 4.527 0.001 0.000 0.298 204 F C 0.921 176.657 175.800 -0.106 0.000 1.137 204 F CA -0.698 57.261 58.000 -0.068 0.000 1.444 204 F CB -0.730 38.232 39.000 -0.064 0.000 1.111 204 F HN -0.116 nan 8.300 nan 0.000 0.580 205 I N 3.143 123.684 120.570 -0.048 0.000 2.576 205 I HA -0.105 4.065 4.170 0.001 0.000 0.288 205 I C 1.014 177.126 176.117 -0.009 0.000 1.126 205 I CA 0.064 61.321 61.300 -0.072 0.000 1.362 205 I CB 0.089 37.984 38.000 -0.174 0.000 1.419 205 I HN 0.136 nan 8.210 nan 0.000 0.533 206 N N 5.657 124.368 118.700 0.018 0.000 2.325 206 N HA -0.028 4.712 4.740 0.001 0.000 0.182 206 N C 0.258 175.777 175.510 0.014 0.000 1.088 206 N CA 0.262 53.325 53.050 0.021 0.000 0.879 206 N CB 0.356 38.862 38.487 0.031 0.000 0.983 206 N HN 0.247 nan 8.380 nan 0.000 0.471 207 K N 2.041 122.449 120.400 0.013 0.000 2.385 207 K HA 0.269 4.589 4.320 0.001 0.000 0.229 207 K C -1.843 174.760 176.600 0.005 0.000 1.089 207 K CA -1.731 54.564 56.287 0.014 0.000 1.060 207 K CB 1.842 34.357 32.500 0.025 0.000 1.698 207 K HN 0.142 nan 8.250 nan 0.000 0.469 208 P HA -0.093 nan 4.420 nan 0.000 0.222 208 P C 0.225 177.522 177.300 -0.005 0.000 1.153 208 P CA 0.839 63.930 63.100 -0.016 0.000 0.798 208 P CB 0.440 32.126 31.700 -0.024 0.000 0.796 209 E N -0.301 119.903 120.200 0.006 0.000 2.461 209 E HA 0.029 4.379 4.350 0.001 0.000 0.196 209 E C 0.618 177.229 176.600 0.018 0.000 1.129 209 E CA 0.605 57.013 56.400 0.013 0.000 0.902 209 E CB -0.542 29.169 29.700 0.018 0.000 0.963 209 E HN 0.296 nan 8.360 nan 0.000 0.503 210 T N -1.820 112.744 114.554 0.017 0.000 3.739 210 T HA 0.243 4.594 4.350 0.001 0.000 0.306 210 T C 0.957 175.668 174.700 0.018 0.000 0.912 210 T CA 0.176 62.292 62.100 0.027 0.000 1.117 210 T CB 0.638 69.531 68.868 0.041 0.000 1.129 210 T HN 0.231 nan 8.240 nan 0.000 0.514 211 G N 1.775 110.583 108.800 0.014 0.000 2.145 211 G HA2 0.261 4.222 3.960 0.001 0.000 0.176 211 G HA3 0.261 4.222 3.960 0.001 0.000 0.176 211 G C -0.073 174.860 174.900 0.055 0.000 1.013 211 G CA 0.106 45.217 45.100 0.019 0.000 0.689 211 G HN 1.002 nan 8.290 nan 0.000 0.506 212 A N -0.902 121.944 122.820 0.044 0.000 2.386 212 A HA 0.961 5.282 4.320 0.001 0.000 0.308 212 A C -0.144 177.472 177.584 0.054 0.000 1.128 212 A CA -0.426 51.654 52.037 0.072 0.000 0.789 212 A CB 2.102 21.139 19.000 0.062 0.000 1.325 212 A HN 1.246 nan 8.150 nan 0.000 0.437 213 V N 0.993 120.957 119.914 0.083 0.000 2.483 213 V HA 0.497 4.617 4.120 0.001 0.000 0.295 213 V C -0.274 175.851 176.094 0.051 0.000 1.035 213 V CA -0.449 61.892 62.300 0.069 0.000 0.896 213 V CB 1.295 33.180 31.823 0.103 0.000 0.986 213 V HN 0.928 nan 8.190 nan 0.000 0.447 214 E N 4.413 124.634 120.200 0.034 0.000 2.248 214 E HA 0.740 5.091 4.350 0.001 0.000 0.267 214 E C -1.554 175.053 176.600 0.012 0.000 0.877 214 E CA -0.708 55.705 56.400 0.022 0.000 0.759 214 E CB 2.905 32.618 29.700 0.021 0.000 1.182 214 E HN 0.472 nan 8.360 nan 0.000 0.418 215 L N 2.107 123.332 121.223 0.003 0.000 2.455 215 L HA 0.368 4.708 4.340 0.001 0.000 0.264 215 L C -0.729 176.137 176.870 -0.007 0.000 0.968 215 L CA -0.965 53.873 54.840 -0.004 0.000 0.827 215 L CB 2.153 44.203 42.059 -0.014 0.000 1.317 215 L HN 0.357 nan 8.230 nan 0.000 0.407 216 E N 1.575 121.770 120.200 -0.008 0.000 2.156 216 E HA 0.261 4.612 4.350 0.001 0.000 0.279 216 E C 0.600 177.185 176.600 -0.024 0.000 0.965 216 E CA 0.249 56.641 56.400 -0.014 0.000 0.789 216 E CB 1.640 31.334 29.700 -0.008 0.000 1.098 216 E HN 0.723 nan 8.360 nan 0.000 0.397 217 S N 0.888 116.564 115.700 -0.041 0.000 3.270 217 S HA -0.135 4.335 4.470 0.001 0.000 0.293 217 S C -1.840 172.692 174.600 -0.114 0.000 1.278 217 S CA 0.672 58.827 58.200 -0.074 0.000 1.038 217 S CB -2.042 61.119 63.200 -0.066 0.000 1.218 217 S HN 0.459 nan 8.310 nan 0.000 0.659 218 P HA 0.513 nan 4.420 nan 0.000 0.276 218 P C 0.332 177.570 177.300 -0.104 0.000 1.261 218 P CA -0.655 62.420 63.100 -0.041 0.000 0.800 218 P CB 0.278 31.985 31.700 0.012 0.000 1.066 219 F N -0.043 119.902 119.950 -0.007 0.000 2.444 219 F HA 0.286 4.813 4.527 0.001 0.000 0.331 219 F C 1.041 176.838 175.800 -0.005 0.000 1.167 219 F CA 0.310 58.307 58.000 -0.005 0.000 1.262 219 F CB 0.283 39.280 39.000 -0.006 0.000 1.196 219 F HN 0.032 nan 8.300 nan 0.000 0.583 220 I N 3.995 124.696 120.570 0.218 0.000 2.468 220 I HA 0.185 4.355 4.170 0.001 0.000 0.285 220 I C -1.262 174.920 176.117 0.107 0.000 1.039 220 I CA -0.686 60.686 61.300 0.120 0.000 1.074 220 I CB 1.695 39.744 38.000 0.081 0.000 1.228 220 I HN 0.251 nan 8.210 nan 0.000 0.436 221 L N 7.834 129.101 121.223 0.073 0.000 2.265 221 L HA 0.511 4.852 4.340 0.001 0.000 0.288 221 L C -0.980 175.910 176.870 0.034 0.000 1.058 221 L CA -0.243 54.624 54.840 0.045 0.000 0.809 221 L CB 1.099 43.175 42.059 0.029 0.000 1.179 221 L HN 0.595 nan 8.230 nan 0.000 0.429 222 L N 6.193 127.429 121.223 0.022 0.000 2.337 222 L HA 0.469 4.809 4.340 0.001 0.000 0.269 222 L C 0.180 177.050 176.870 0.001 0.000 1.018 222 L CA -0.370 54.473 54.840 0.005 0.000 0.876 222 L CB 1.382 43.439 42.059 -0.004 0.000 1.236 222 L HN 0.703 nan 8.230 nan 0.000 0.436 223 A N 1.025 123.847 122.820 0.003 0.000 2.274 223 A HA 0.242 4.563 4.320 0.001 0.000 0.309 223 A C 0.450 178.033 177.584 -0.001 0.000 1.226 223 A CA -0.456 51.584 52.037 0.005 0.000 0.853 223 A CB 0.624 19.634 19.000 0.015 0.000 1.146 223 A HN 0.710 nan 8.150 nan 0.000 0.518 224 D N 1.439 121.837 120.400 -0.003 0.000 2.348 224 D HA 0.063 4.703 4.640 0.001 0.000 0.248 224 D C 0.542 176.845 176.300 0.004 0.000 1.142 224 D CA 0.785 54.782 54.000 -0.005 0.000 0.904 224 D CB -0.280 40.517 40.800 -0.006 0.000 0.901 224 D HN 0.697 nan 8.370 nan 0.000 0.523 225 K N -2.109 118.298 120.400 0.011 0.000 2.499 225 K HA 0.456 4.777 4.320 0.001 0.000 0.284 225 K C -1.182 175.434 176.600 0.027 0.000 1.039 225 K CA -1.133 55.166 56.287 0.019 0.000 0.873 225 K CB 0.688 33.198 32.500 0.017 0.000 1.545 225 K HN -0.361 nan 8.250 nan 0.000 0.402 226 K N 1.014 121.431 120.400 0.030 0.000 2.205 226 K HA 0.372 4.692 4.320 0.001 0.000 0.279 226 K C -0.513 176.106 176.600 0.032 0.000 1.027 226 K CA -0.411 55.897 56.287 0.034 0.000 0.932 226 K CB 0.592 33.111 32.500 0.033 0.000 1.032 226 K HN 0.415 nan 8.250 nan 0.000 0.466 227 I N 2.727 123.320 120.570 0.038 0.000 2.336 227 I HA 0.097 4.268 4.170 0.001 0.000 0.292 227 I C 1.113 177.252 176.117 0.036 0.000 0.991 227 I CA -0.062 61.260 61.300 0.036 0.000 1.227 227 I CB 1.130 39.157 38.000 0.044 0.000 1.366 227 I HN 0.771 nan 8.210 nan 0.000 0.466 228 S N 4.803 120.521 115.700 0.030 0.000 2.452 228 S HA 0.104 4.575 4.470 0.001 0.000 0.225 228 S C 0.739 175.357 174.600 0.028 0.000 1.057 228 S CA -0.019 58.197 58.200 0.028 0.000 0.949 228 S CB 0.299 63.512 63.200 0.022 0.000 0.836 228 S HN 0.718 nan 8.310 nan 0.000 0.518 229 N N 0.486 119.201 118.700 0.025 0.000 2.335 229 N HA 0.323 5.064 4.740 0.001 0.000 0.304 229 N C 0.319 175.844 175.510 0.025 0.000 1.135 229 N CA -0.376 52.688 53.050 0.023 0.000 0.817 229 N CB 1.788 40.284 38.487 0.016 0.000 1.294 229 N HN 0.170 nan 8.380 nan 0.000 0.497 230 I N 0.912 121.496 120.570 0.024 0.000 3.176 230 I HA 0.017 4.187 4.170 0.001 0.000 0.275 230 I C 2.323 178.449 176.117 0.014 0.000 1.298 230 I CA 0.550 61.864 61.300 0.023 0.000 1.445 230 I CB -0.681 37.334 38.000 0.024 0.000 1.075 230 I HN 0.565 nan 8.210 nan 0.000 0.482 231 R N 1.943 122.450 120.500 0.011 0.000 2.134 231 R HA -0.279 4.062 4.340 0.001 0.000 0.248 231 R C 1.830 178.133 176.300 0.005 0.000 1.143 231 R CA 2.361 58.465 56.100 0.006 0.000 0.957 231 R CB -0.331 29.972 30.300 0.006 0.000 0.867 231 R HN 0.405 nan 8.270 nan 0.000 0.441 232 E N -0.384 119.821 120.200 0.009 0.000 2.396 232 E HA -0.166 4.184 4.350 0.001 0.000 0.200 232 E C 1.501 178.105 176.600 0.007 0.000 1.023 232 E CA 1.414 57.819 56.400 0.009 0.000 0.857 232 E CB 0.034 29.743 29.700 0.015 0.000 0.775 232 E HN 0.367 nan 8.360 nan 0.000 0.525 233 M N -1.480 118.125 119.600 0.007 0.000 2.653 233 M HA 0.156 4.637 4.480 0.001 0.000 0.259 233 M C 1.565 177.860 176.300 -0.008 0.000 1.244 233 M CA 0.323 55.625 55.300 0.003 0.000 1.163 233 M CB 0.054 32.662 32.600 0.013 0.000 1.309 233 M HN -0.000 nan 8.290 nan 0.000 0.509 234 L N 1.023 122.242 121.223 -0.006 0.000 2.011 234 L HA -0.259 4.082 4.340 0.001 0.000 0.225 234 L C -0.411 176.445 176.870 -0.023 0.000 1.084 234 L CA 1.957 56.790 54.840 -0.011 0.000 0.791 234 L CB -2.181 39.873 42.059 -0.008 0.000 0.898 234 L HN 0.222 nan 8.230 nan 0.000 0.440 235 P HA -0.119 nan 4.420 nan 0.000 0.215 235 P C 1.782 179.044 177.300 -0.063 0.000 1.157 235 P CA 2.011 65.086 63.100 -0.041 0.000 0.859 235 P CB -0.229 31.448 31.700 -0.038 0.000 0.786 236 V N -2.311 117.562 119.914 -0.068 0.000 2.453 236 V HA -0.145 3.976 4.120 0.001 0.000 0.247 236 V C 2.520 178.557 176.094 -0.095 0.000 1.048 236 V CA 1.277 63.514 62.300 -0.106 0.000 1.049 236 V CB -2.005 29.761 31.823 -0.094 0.000 0.672 236 V HN -0.088 nan 8.190 nan 0.000 0.457 237 L N 0.945 122.136 121.223 -0.054 0.000 2.083 237 L HA -0.105 4.235 4.340 0.001 0.000 0.209 237 L C 2.551 179.398 176.870 -0.038 0.000 1.083 237 L CA 2.457 57.275 54.840 -0.036 0.000 0.752 237 L CB -0.767 41.283 42.059 -0.016 0.000 0.899 237 L HN 0.578 nan 8.230 nan 0.000 0.433 238 E N -0.830 119.344 120.200 -0.043 0.000 2.046 238 E HA -0.186 4.164 4.350 0.001 0.000 0.190 238 E C 2.091 178.655 176.600 -0.060 0.000 0.982 238 E CA 0.986 57.361 56.400 -0.041 0.000 0.800 238 E CB -0.115 29.563 29.700 -0.036 0.000 0.756 238 E HN 0.582 nan 8.360 nan 0.000 0.449 239 A N 1.016 123.779 122.820 -0.094 0.000 1.898 239 A HA -0.138 4.183 4.320 0.001 0.000 0.216 239 A C 2.428 179.914 177.584 -0.164 0.000 1.181 239 A CA 1.713 53.671 52.037 -0.132 0.000 0.620 239 A CB -0.928 17.968 19.000 -0.174 0.000 0.819 239 A HN 0.314 nan 8.150 nan 0.000 0.442 240 V N -2.205 117.596 119.914 -0.189 0.000 2.407 240 V HA -0.089 4.032 4.120 0.001 0.000 0.248 240 V C 2.514 178.600 176.094 -0.014 0.000 1.055 240 V CA 1.883 64.100 62.300 -0.139 0.000 1.049 240 V CB -1.553 30.226 31.823 -0.073 0.000 0.662 240 V HN 0.498 nan 8.190 nan 0.000 0.455 241 A N 0.823 123.631 122.820 -0.019 0.000 1.873 241 A HA -0.145 4.175 4.320 0.001 0.000 0.215 241 A C 2.306 179.893 177.584 0.004 0.000 1.186 241 A CA 2.035 54.073 52.037 0.002 0.000 0.616 241 A CB -0.570 18.427 19.000 -0.005 0.000 0.823 241 A HN 0.614 nan 8.150 nan 0.000 0.442 242 K N -0.265 120.127 120.400 -0.013 0.000 2.365 242 K HA 0.096 4.416 4.320 0.001 0.000 0.199 242 K C 1.764 178.367 176.600 0.006 0.000 1.045 242 K CA 0.737 57.019 56.287 -0.007 0.000 0.962 242 K CB -0.156 32.333 32.500 -0.019 0.000 0.759 242 K HN 0.432 nan 8.250 nan 0.000 0.469 243 A N 0.554 123.382 122.820 0.014 0.000 2.218 243 A HA 0.192 4.512 4.320 0.001 0.000 0.209 243 A C 1.393 179.037 177.584 0.101 0.000 1.168 243 A CA 0.773 52.852 52.037 0.071 0.000 0.804 243 A CB -0.184 18.878 19.000 0.103 0.000 0.834 243 A HN 0.374 nan 8.150 nan 0.000 0.482 244 G N -0.997 107.847 108.800 0.072 0.000 2.132 244 G HA2 -0.208 3.753 3.960 0.001 0.000 0.234 244 G HA3 -0.208 3.753 3.960 0.001 0.000 0.234 244 G C 0.029 174.973 174.900 0.074 0.000 0.989 244 G CA 0.479 45.616 45.100 0.061 0.000 0.676 244 G HN 0.560 nan 8.290 nan 0.000 0.522 245 K N 0.176 120.641 120.400 0.110 0.000 2.385 245 K HA 0.583 4.903 4.320 0.001 0.000 0.248 245 K C -2.550 174.113 176.600 0.105 0.000 0.955 245 K CA -2.141 54.220 56.287 0.124 0.000 0.816 245 K CB 2.557 35.194 32.500 0.228 0.000 1.250 245 K HN -0.019 nan 8.250 nan 0.000 0.434 246 P HA 0.150 nan 4.420 nan 0.000 0.275 246 P C -1.179 176.171 177.300 0.084 0.000 1.270 246 P CA -0.612 62.517 63.100 0.049 0.000 0.791 246 P CB 0.544 32.253 31.700 0.015 0.000 1.089 247 L N 0.785 122.032 121.223 0.039 0.000 2.455 247 L HA 0.446 4.786 4.340 0.001 0.000 0.264 247 L C -1.815 175.047 176.870 -0.013 0.000 0.968 247 L CA -0.836 54.035 54.840 0.053 0.000 0.827 247 L CB 1.804 43.888 42.059 0.043 0.000 1.317 247 L HN 0.252 nan 8.230 nan 0.000 0.407 248 L N 6.258 127.487 121.223 0.009 0.000 2.298 248 L HA 0.500 4.841 4.340 0.001 0.000 0.284 248 L C -0.552 176.326 176.870 0.014 0.000 1.013 248 L CA -0.405 54.425 54.840 -0.018 0.000 0.824 248 L CB 1.468 43.533 42.059 0.011 0.000 1.221 248 L HN 0.586 nan 8.230 nan 0.000 0.418 249 I N 6.246 126.813 120.570 -0.005 0.000 2.325 249 I HA 0.301 4.471 4.170 0.001 0.000 0.291 249 I C 0.105 176.259 176.117 0.062 0.000 1.019 249 I CA -0.192 61.125 61.300 0.029 0.000 1.302 249 I CB 1.073 39.090 38.000 0.028 0.000 1.401 249 I HN 0.421 nan 8.210 nan 0.000 0.485 250 I N 6.250 126.857 120.570 0.061 0.000 2.378 250 I HA 0.720 4.891 4.170 0.001 0.000 0.291 250 I C 0.115 176.253 176.117 0.035 0.000 0.992 250 I CA -0.297 61.040 61.300 0.062 0.000 1.154 250 I CB 1.607 39.625 38.000 0.030 0.000 1.315 250 I HN 0.647 nan 8.210 nan 0.000 0.448 251 A N 4.711 127.558 122.820 0.045 0.000 2.564 251 A HA 0.489 4.810 4.320 0.001 0.000 0.288 251 A C 0.484 178.090 177.584 0.038 0.000 1.164 251 A CA -0.552 51.506 52.037 0.035 0.000 0.712 251 A CB 1.311 20.340 19.000 0.048 0.000 1.303 251 A HN 0.741 nan 8.150 nan 0.000 0.418 252 E N -0.415 119.807 120.200 0.035 0.000 2.077 252 E HA -0.088 4.263 4.350 0.001 0.000 0.193 252 E C -0.378 176.259 176.600 0.062 0.000 0.989 252 E CA 1.722 58.151 56.400 0.047 0.000 0.800 252 E CB 0.138 29.867 29.700 0.049 0.000 0.746 252 E HN 0.583 nan 8.360 nan 0.000 0.452 253 D N -1.918 118.518 120.400 0.061 0.000 2.728 253 D HA 0.152 4.793 4.640 0.001 0.000 0.249 253 D C -1.874 174.466 176.300 0.067 0.000 1.225 253 D CA -0.467 53.573 54.000 0.067 0.000 0.748 253 D CB 1.700 42.535 40.800 0.058 0.000 1.326 253 D HN -0.216 nan 8.370 nan 0.000 0.426 254 V N 1.812 121.773 119.914 0.077 0.000 2.588 254 V HA 0.556 4.677 4.120 0.001 0.000 0.304 254 V C 0.056 176.191 176.094 0.068 0.000 1.042 254 V CA -0.739 61.607 62.300 0.077 0.000 0.877 254 V CB 1.629 33.513 31.823 0.102 0.000 0.996 254 V HN 0.537 nan 8.190 nan 0.000 0.425 255 E N 2.306 122.539 120.200 0.055 0.000 2.280 255 E HA 0.540 4.890 4.350 0.001 0.000 0.261 255 E C 1.334 177.961 176.600 0.045 0.000 1.088 255 E CA 0.509 56.936 56.400 0.046 0.000 0.915 255 E CB 1.471 31.192 29.700 0.036 0.000 1.141 255 E HN 0.669 nan 8.360 nan 0.000 0.433 256 G N 0.680 109.503 108.800 0.038 0.000 2.479 256 G HA2 -0.306 3.655 3.960 0.001 0.000 0.220 256 G HA3 -0.306 3.655 3.960 0.001 0.000 0.220 256 G C 1.209 176.128 174.900 0.032 0.000 1.115 256 G CA 1.067 46.188 45.100 0.035 0.000 0.757 256 G HN 0.637 nan 8.290 nan 0.000 0.560 257 E N 0.530 120.747 120.200 0.029 0.000 2.007 257 E HA -0.049 4.301 4.350 0.001 0.000 0.194 257 E C 2.788 179.407 176.600 0.031 0.000 0.999 257 E CA 1.092 57.507 56.400 0.025 0.000 0.811 257 E CB -0.309 29.404 29.700 0.022 0.000 0.762 257 E HN 0.287 nan 8.360 nan 0.000 0.450 258 A N 1.397 124.240 122.820 0.039 0.000 1.902 258 A HA -0.138 4.183 4.320 0.001 0.000 0.217 258 A C 2.275 179.899 177.584 0.067 0.000 1.181 258 A CA 1.195 53.262 52.037 0.050 0.000 0.623 258 A CB -0.756 18.276 19.000 0.054 0.000 0.818 258 A HN 0.445 nan 8.150 nan 0.000 0.443 259 L N -0.718 120.548 121.223 0.072 0.000 1.994 259 L HA -0.162 4.179 4.340 0.001 0.000 0.208 259 L C 2.908 179.816 176.870 0.064 0.000 1.071 259 L CA 1.500 56.393 54.840 0.088 0.000 0.745 259 L CB -0.387 41.719 42.059 0.079 0.000 0.892 259 L HN 0.402 nan 8.230 nan 0.000 0.431 260 A N -0.475 122.369 122.820 0.039 0.000 1.877 260 A HA -0.239 4.082 4.320 0.001 0.000 0.216 260 A C 2.324 179.914 177.584 0.009 0.000 1.186 260 A CA 2.352 54.397 52.037 0.015 0.000 0.620 260 A CB -1.226 17.779 19.000 0.008 0.000 0.822 260 A HN 0.613 nan 8.150 nan 0.000 0.443 261 T N -1.103 113.464 114.554 0.021 0.000 2.788 261 T HA -0.096 4.254 4.350 0.001 0.000 0.268 261 T C 1.836 176.556 174.700 0.033 0.000 1.044 261 T CA 1.459 63.570 62.100 0.019 0.000 1.139 261 T CB -0.601 68.279 68.868 0.020 0.000 0.867 261 T HN 0.289 nan 8.240 nan 0.000 0.454 262 L N 0.535 121.797 121.223 0.064 0.000 2.017 262 L HA -0.050 4.291 4.340 0.001 0.000 0.208 262 L C 2.999 179.934 176.870 0.107 0.000 1.073 262 L CA 0.937 55.840 54.840 0.105 0.000 0.745 262 L CB -0.721 41.439 42.059 0.169 0.000 0.894 262 L HN 0.152 nan 8.230 nan 0.000 0.432 263 V N -0.593 119.363 119.914 0.069 0.000 2.332 263 V HA -0.273 3.847 4.120 0.001 0.000 0.248 263 V C 2.443 178.494 176.094 -0.072 0.000 1.055 263 V CA 1.621 63.913 62.300 -0.014 0.000 1.038 263 V CB -0.234 31.541 31.823 -0.080 0.000 0.651 263 V HN 0.199 nan 8.190 nan 0.000 0.450 264 V N 0.437 120.314 119.914 -0.061 0.000 2.332 264 V HA -0.273 3.847 4.120 0.001 0.000 0.248 264 V C 2.244 178.311 176.094 -0.045 0.000 1.055 264 V CA 2.449 64.706 62.300 -0.071 0.000 1.038 264 V CB -0.709 31.084 31.823 -0.049 0.000 0.651 264 V HN 0.649 nan 8.190 nan 0.000 0.450 265 N N -0.493 118.201 118.700 -0.011 0.000 2.415 265 N HA -0.091 4.650 4.740 0.001 0.000 0.176 265 N C 1.841 177.359 175.510 0.014 0.000 1.042 265 N CA 1.426 54.476 53.050 -0.000 0.000 0.902 265 N CB 0.327 38.819 38.487 0.009 0.000 0.986 265 N HN 0.712 nan 8.380 nan 0.000 0.447 266 T N -0.093 114.484 114.554 0.038 0.000 2.671 266 T HA -0.034 4.317 4.350 0.001 0.000 0.250 266 T C 1.369 176.096 174.700 0.045 0.000 1.068 266 T CA 0.256 62.400 62.100 0.073 0.000 1.177 266 T CB -0.605 68.369 68.868 0.176 0.000 0.876 266 T HN 0.191 nan 8.240 nan 0.000 0.405 267 M N 1.336 120.947 119.600 0.019 0.000 2.427 267 M HA 0.457 4.937 4.480 0.001 0.000 0.345 267 M C 0.534 176.810 176.300 -0.040 0.000 1.653 267 M CA -0.184 55.109 55.300 -0.012 0.000 1.138 267 M CB 0.097 32.653 32.600 -0.075 0.000 1.995 267 M HN 0.249 nan 8.290 nan 0.000 0.459 268 R N 1.556 122.047 120.500 -0.016 0.000 3.954 268 R HA -0.144 4.197 4.340 0.001 0.000 0.422 268 R C 0.380 176.668 176.300 -0.020 0.000 1.091 268 R CA 1.183 57.270 56.100 -0.021 0.000 1.168 268 R CB -2.052 28.225 30.300 -0.038 0.000 1.752 268 R HN 1.128 nan 8.270 nan 0.000 0.547 269 G N -0.602 108.190 108.800 -0.014 0.000 2.992 269 G HA2 0.510 4.470 3.960 0.001 0.000 0.201 269 G HA3 0.510 4.470 3.960 0.001 0.000 0.201 269 G C 1.270 176.168 174.900 -0.003 0.000 2.057 269 G CA 0.435 45.527 45.100 -0.013 0.000 0.800 269 G HN 0.135 nan 8.290 nan 0.000 0.700 270 I N -1.227 119.345 120.570 0.002 0.000 3.626 270 I HA 0.208 4.379 4.170 0.001 0.000 0.256 270 I C -0.307 175.816 176.117 0.010 0.000 1.105 270 I CA 0.072 61.375 61.300 0.004 0.000 1.656 270 I CB 0.491 38.492 38.000 0.001 0.000 1.672 270 I HN -0.093 nan 8.210 nan 0.000 0.421 271 V N 3.351 123.273 119.914 0.013 0.000 2.385 271 V HA 0.239 4.360 4.120 0.001 0.000 0.269 271 V C -0.383 175.726 176.094 0.025 0.000 1.043 271 V CA -0.374 61.935 62.300 0.015 0.000 0.906 271 V CB 0.536 32.365 31.823 0.011 0.000 0.995 271 V HN 0.215 nan 8.190 nan 0.000 0.467 272 K N 4.421 124.836 120.400 0.024 0.000 2.293 272 K HA 0.751 5.071 4.320 0.001 0.000 0.267 272 K C -0.680 175.923 176.600 0.005 0.000 1.010 272 K CA -0.390 55.915 56.287 0.031 0.000 0.875 272 K CB 1.879 34.399 32.500 0.033 0.000 1.106 272 K HN 0.652 nan 8.250 nan 0.000 0.450 273 V N -1.106 118.795 119.914 -0.021 0.000 3.232 273 V HA 0.951 5.071 4.120 0.001 0.000 0.303 273 V C -1.413 174.479 176.094 -0.336 0.000 1.311 273 V CA -1.078 61.158 62.300 -0.106 0.000 1.061 273 V CB 1.758 33.545 31.823 -0.060 0.000 1.085 273 V HN 0.739 nan 8.190 nan 0.000 0.447 274 A N 0.497 123.000 122.820 -0.528 0.000 2.532 274 A HA 1.123 5.444 4.320 0.001 0.000 0.290 274 A C -0.364 176.802 177.584 -0.697 0.000 1.143 274 A CA -0.437 50.862 52.037 -1.231 0.000 0.728 274 A CB 1.740 20.216 19.000 -0.872 0.000 1.317 274 A HN 2.736 nan 8.150 nan 0.000 0.414 275 A N -0.378 122.074 122.820 -0.613 0.000 2.520 275 A HA 0.795 5.115 4.320 0.001 0.000 0.298 275 A C -0.658 177.045 177.584 0.199 0.000 1.051 275 A CA 0.051 52.084 52.037 -0.006 0.000 0.690 275 A CB 1.220 20.326 19.000 0.177 0.000 1.281 275 A HN 2.365 nan 8.150 nan 0.000 0.402 276 V N -1.049 118.972 119.914 0.178 0.000 3.130 276 V HA 0.695 4.815 4.120 0.001 0.000 0.310 276 V C -0.644 175.566 176.094 0.193 0.000 1.158 276 V CA -1.202 61.226 62.300 0.214 0.000 1.029 276 V CB 1.784 33.743 31.823 0.228 0.000 1.057 276 V HN 0.857 nan 8.190 nan 0.000 0.436 277 K N 1.742 122.254 120.400 0.187 0.000 2.185 277 K HA 0.734 5.055 4.320 0.001 0.000 0.271 277 K C 0.342 177.043 176.600 0.168 0.000 1.013 277 K CA 0.103 56.481 56.287 0.151 0.000 0.943 277 K CB 1.714 34.285 32.500 0.119 0.000 0.998 277 K HN 1.107 nan 8.250 nan 0.000 0.468 278 A N 3.513 126.367 122.820 0.057 0.000 2.386 278 A HA 0.242 4.562 4.320 0.001 0.000 0.246 278 A C -2.081 175.457 177.584 -0.077 0.000 1.089 278 A CA -1.020 50.965 52.037 -0.085 0.000 0.790 278 A CB -0.500 18.452 19.000 -0.080 0.000 1.042 278 A HN 0.481 nan 8.150 nan 0.000 0.497 279 P HA 0.385 nan 4.420 nan 0.000 0.275 279 P C 0.787 178.039 177.300 -0.080 0.000 1.227 279 P CA 1.376 64.407 63.100 -0.115 0.000 0.781 279 P CB 0.743 32.316 31.700 -0.211 0.000 0.906 280 G N 2.818 111.610 108.800 -0.012 0.000 2.514 280 G HA2 -0.093 3.867 3.960 0.001 0.000 0.265 280 G HA3 -0.093 3.867 3.960 0.001 0.000 0.265 280 G C -0.525 174.439 174.900 0.106 0.000 1.150 280 G CA 0.297 45.346 45.100 -0.086 0.000 0.959 280 G HN 0.801 nan 8.290 nan 0.000 0.556 281 F N -3.965 115.992 119.950 0.012 0.000 3.032 281 F HA 0.565 5.093 4.527 0.001 0.000 0.331 281 F C 1.154 176.961 175.800 0.011 0.000 1.125 281 F CA 0.303 58.311 58.000 0.013 0.000 0.873 281 F CB 0.203 39.215 39.000 0.021 0.000 1.374 281 F HN 2.421 nan 8.300 nan 0.000 0.452 282 G N 1.525 110.489 108.800 0.274 0.000 2.685 282 G HA2 -0.421 3.539 3.960 0.001 0.000 0.329 282 G HA3 -0.421 3.539 3.960 0.001 0.000 0.329 282 G C 0.576 175.496 174.900 0.033 0.000 1.271 282 G CA 1.527 46.748 45.100 0.200 0.000 1.003 282 G HN 1.548 nan 8.290 nan 0.000 0.549 283 D N 0.307 120.712 120.400 0.008 0.000 2.149 283 D HA 0.012 4.652 4.640 0.001 0.000 0.201 283 D C 2.300 178.527 176.300 -0.121 0.000 0.972 283 D CA 1.501 55.478 54.000 -0.040 0.000 0.835 283 D CB -0.474 40.324 40.800 -0.004 0.000 0.966 283 D HN 0.431 nan 8.370 nan 0.000 0.476 284 R N 0.691 121.031 120.500 -0.267 0.000 2.103 284 R HA -0.112 4.228 4.340 0.001 0.000 0.242 284 R C 2.440 178.605 176.300 -0.225 0.000 1.142 284 R CA 1.855 57.765 56.100 -0.317 0.000 0.960 284 R CB -0.801 29.132 30.300 -0.613 0.000 0.858 284 R HN 0.514 nan 8.270 nan 0.000 0.439 285 R N 0.954 121.335 120.500 -0.199 0.000 2.105 285 R HA -0.117 4.223 4.340 0.001 0.000 0.239 285 R C 1.357 177.598 176.300 -0.099 0.000 1.135 285 R CA 1.436 57.458 56.100 -0.130 0.000 0.967 285 R CB -0.304 29.949 30.300 -0.078 0.000 0.861 285 R HN 0.051 nan 8.270 nan 0.000 0.442 286 K N 0.753 121.105 120.400 -0.079 0.000 2.032 286 K HA -0.116 4.205 4.320 0.001 0.000 0.209 286 K C 2.161 178.725 176.600 -0.061 0.000 1.048 286 K CA 1.789 58.042 56.287 -0.057 0.000 0.927 286 K CB -0.317 32.158 32.500 -0.042 0.000 0.712 286 K HN 0.400 nan 8.250 nan 0.000 0.441 287 A N 0.988 123.765 122.820 -0.072 0.000 1.887 287 A HA 0.029 4.349 4.320 0.001 0.000 0.212 287 A C 2.240 179.775 177.584 -0.082 0.000 1.198 287 A CA 0.749 52.746 52.037 -0.067 0.000 0.628 287 A CB -0.277 18.685 19.000 -0.063 0.000 0.847 287 A HN 0.134 nan 8.150 nan 0.000 0.449 288 M N -1.024 118.511 119.600 -0.108 0.000 2.229 288 M HA -0.026 4.454 4.480 0.001 0.000 0.264 288 M C 2.029 178.238 176.300 -0.153 0.000 1.063 288 M CA 1.008 56.232 55.300 -0.127 0.000 1.114 288 M CB -0.227 32.283 32.600 -0.149 0.000 1.387 288 M HN 0.403 nan 8.290 nan 0.000 0.420 289 L N 0.107 121.242 121.223 -0.148 0.000 2.179 289 L HA -0.100 4.240 4.340 0.001 0.000 0.208 289 L C 2.303 179.111 176.870 -0.103 0.000 1.096 289 L CA 1.652 56.401 54.840 -0.153 0.000 0.779 289 L CB -0.381 41.601 42.059 -0.129 0.000 0.922 289 L HN 0.198 nan 8.230 nan 0.000 0.443 290 Q N -0.702 119.052 119.800 -0.077 0.000 2.311 290 Q HA -0.136 4.204 4.340 0.001 0.000 0.203 290 Q C 1.599 177.570 176.000 -0.047 0.000 0.954 290 Q CA 1.109 56.881 55.803 -0.052 0.000 0.885 290 Q CB 0.028 28.741 28.738 -0.041 0.000 0.963 290 Q HN 0.486 nan 8.270 nan 0.000 0.471 291 D N -0.059 120.307 120.400 -0.057 0.000 2.097 291 D HA -0.162 4.478 4.640 0.001 0.000 0.195 291 D C 1.697 177.976 176.300 -0.036 0.000 0.989 291 D CA 1.218 55.191 54.000 -0.044 0.000 0.827 291 D CB -0.158 40.612 40.800 -0.049 0.000 0.966 291 D HN 0.344 nan 8.370 nan 0.000 0.456 292 I N 1.385 121.920 120.570 -0.058 0.000 2.208 292 I HA -0.279 3.892 4.170 0.001 0.000 0.245 292 I C 2.535 178.641 176.117 -0.018 0.000 1.097 292 I CA 1.100 62.377 61.300 -0.038 0.000 1.363 292 I CB -0.255 37.684 38.000 -0.102 0.000 1.051 292 I HN -0.076 nan 8.210 nan 0.000 0.413 293 A N 0.549 123.352 122.820 -0.029 0.000 1.865 293 A HA -0.222 4.098 4.320 0.001 0.000 0.217 293 A C 2.402 179.982 177.584 -0.006 0.000 1.191 293 A CA 2.620 54.649 52.037 -0.012 0.000 0.623 293 A CB -1.202 17.787 19.000 -0.018 0.000 0.826 293 A HN 0.407 nan 8.150 nan 0.000 0.444 294 T N 0.059 114.606 114.554 -0.011 0.000 2.821 294 T HA -0.118 4.233 4.350 0.001 0.000 0.267 294 T C 1.767 176.464 174.700 -0.004 0.000 1.046 294 T CA 1.401 63.497 62.100 -0.007 0.000 1.139 294 T CB -0.345 68.516 68.868 -0.011 0.000 0.871 294 T HN 0.306 nan 8.240 nan 0.000 0.454 295 L N 2.146 123.367 121.223 -0.003 0.000 2.265 295 L HA -0.006 4.334 4.340 0.001 0.000 0.215 295 L C 2.127 178.998 176.870 0.001 0.000 1.117 295 L CA 1.759 56.600 54.840 0.002 0.000 0.782 295 L CB -0.763 41.303 42.059 0.010 0.000 0.914 295 L HN 0.408 nan 8.230 nan 0.000 0.441 296 T N -5.171 109.385 114.554 0.002 0.000 3.044 296 T HA 0.421 4.772 4.350 0.001 0.000 0.260 296 T C 1.321 176.019 174.700 -0.003 0.000 1.019 296 T CA 0.164 62.263 62.100 -0.002 0.000 0.921 296 T CB 0.164 69.037 68.868 0.008 0.000 1.053 296 T HN 0.482 nan 8.240 nan 0.000 0.533 297 G N 0.698 109.500 108.800 0.002 0.000 2.155 297 G HA2 -0.078 3.882 3.960 0.001 0.000 0.257 297 G HA3 -0.078 3.882 3.960 0.001 0.000 0.257 297 G C 0.453 175.367 174.900 0.024 0.000 0.983 297 G CA -0.138 44.968 45.100 0.009 0.000 0.676 297 G HN 1.051 nan 8.290 nan 0.000 0.528 298 G N -1.367 107.448 108.800 0.025 0.000 2.502 298 G HA2 0.666 4.626 3.960 0.001 0.000 0.305 298 G HA3 0.666 4.626 3.960 0.001 0.000 0.305 298 G C -0.326 174.585 174.900 0.018 0.000 1.190 298 G CA 0.443 45.563 45.100 0.033 0.000 0.933 298 G HN 0.643 nan 8.290 nan 0.000 0.503 299 T N -0.164 114.400 114.554 0.017 0.000 2.881 299 T HA 0.422 4.773 4.350 0.001 0.000 0.290 299 T C 0.111 174.812 174.700 0.002 0.000 1.000 299 T CA -0.390 61.713 62.100 0.005 0.000 0.978 299 T CB 1.539 70.411 68.868 0.006 0.000 0.997 299 T HN 0.920 nan 8.240 nan 0.000 0.443 300 V N 2.010 121.919 119.914 -0.008 0.000 2.521 300 V HA 0.442 4.562 4.120 0.001 0.000 0.286 300 V C -0.100 175.990 176.094 -0.007 0.000 1.034 300 V CA -0.411 61.882 62.300 -0.012 0.000 1.045 300 V CB -0.491 31.317 31.823 -0.025 0.000 0.974 300 V HN 0.699 nan 8.190 nan 0.000 0.480 301 I N 5.610 126.178 120.570 -0.003 0.000 2.406 301 I HA 0.239 4.409 4.170 0.001 0.000 0.293 301 I C 0.759 176.875 176.117 -0.002 0.000 1.101 301 I CA 1.051 62.350 61.300 -0.001 0.000 1.334 301 I CB 0.418 38.418 38.000 0.001 0.000 1.421 301 I HN 0.706 nan 8.210 nan 0.000 0.513 302 S N 5.614 121.312 115.700 -0.003 0.000 2.498 302 S HA 0.258 4.729 4.470 0.001 0.000 0.324 302 S C 1.004 175.604 174.600 -0.000 0.000 1.071 302 S CA -0.711 57.488 58.200 -0.003 0.000 1.113 302 S CB 1.001 64.198 63.200 -0.005 0.000 0.976 302 S HN 0.592 nan 8.310 nan 0.000 0.462 303 E N 2.117 122.318 120.200 0.002 0.000 2.265 303 E HA -0.162 4.188 4.350 0.001 0.000 0.196 303 E C 1.094 177.695 176.600 0.003 0.000 0.996 303 E CA 0.841 57.242 56.400 0.003 0.000 0.832 303 E CB 0.082 29.785 29.700 0.005 0.000 0.756 303 E HN 0.683 nan 8.360 nan 0.000 0.491 304 E N 0.164 120.366 120.200 0.002 0.000 2.338 304 E HA -0.107 4.244 4.350 0.001 0.000 0.197 304 E C 1.539 178.140 176.600 0.001 0.000 1.007 304 E CA 0.578 56.979 56.400 0.002 0.000 0.849 304 E CB 0.135 29.836 29.700 0.001 0.000 0.774 304 E HN 0.341 nan 8.360 nan 0.000 0.506 305 I N -0.921 119.649 120.570 -0.000 0.000 4.057 305 I HA 0.145 4.315 4.170 0.001 0.000 0.334 305 I C 1.165 177.281 176.117 -0.000 0.000 1.308 305 I CA 0.184 61.483 61.300 -0.001 0.000 1.125 305 I CB 0.741 38.740 38.000 -0.002 0.000 1.034 305 I HN 0.150 nan 8.210 nan 0.000 0.401 306 G N 1.848 110.648 108.800 0.000 0.000 2.132 306 G HA2 -0.252 3.708 3.960 0.001 0.000 0.234 306 G HA3 -0.252 3.708 3.960 0.001 0.000 0.234 306 G C 0.212 175.112 174.900 -0.000 0.000 0.989 306 G CA -0.208 44.892 45.100 0.000 0.000 0.676 306 G HN 0.248 nan 8.290 nan 0.000 0.522 307 M N 0.023 119.623 119.600 -0.000 0.000 2.255 307 M HA 0.663 5.143 4.480 0.001 0.000 0.336 307 M C 0.261 176.561 176.300 -0.000 0.000 1.135 307 M CA -0.044 55.255 55.300 -0.001 0.000 1.145 307 M CB 1.332 33.931 32.600 -0.001 0.000 1.473 307 M HN 0.145 nan 8.290 nan 0.000 0.462 308 E N 1.546 121.745 120.200 -0.001 0.000 2.352 308 E HA 0.254 4.604 4.350 0.001 0.000 0.280 308 E C -0.663 175.936 176.600 -0.003 0.000 0.930 308 E CA -0.272 56.128 56.400 -0.001 0.000 0.765 308 E CB 2.095 31.795 29.700 -0.000 0.000 1.219 308 E HN 0.773 nan 8.360 nan 0.000 0.434 309 L N 2.583 123.805 121.223 -0.001 0.000 2.313 309 L HA -0.003 4.338 4.340 0.001 0.000 0.214 309 L C 1.906 178.771 176.870 -0.008 0.000 1.119 309 L CA 0.727 55.565 54.840 -0.004 0.000 0.809 309 L CB -0.012 42.047 42.059 0.001 0.000 0.933 309 L HN 0.571 nan 8.230 nan 0.000 0.449 310 E N 0.425 120.621 120.200 -0.006 0.000 2.331 310 E HA -0.235 4.115 4.350 0.001 0.000 0.199 310 E C 1.126 177.718 176.600 -0.013 0.000 1.008 310 E CA 1.019 57.414 56.400 -0.009 0.000 0.843 310 E CB 0.088 29.784 29.700 -0.006 0.000 0.761 310 E HN 0.387 nan 8.360 nan 0.000 0.507 311 K N -0.382 120.011 120.400 -0.012 0.000 2.387 311 K HA 0.234 4.554 4.320 0.001 0.000 0.203 311 K C -0.201 176.389 176.600 -0.017 0.000 1.030 311 K CA -0.107 56.171 56.287 -0.014 0.000 1.099 311 K CB 1.436 33.931 32.500 -0.010 0.000 0.863 311 K HN -0.048 nan 8.250 nan 0.000 0.529 312 A N 1.241 124.048 122.820 -0.020 0.000 2.450 312 A HA 0.329 4.649 4.320 0.001 0.000 0.255 312 A C 0.036 177.596 177.584 -0.040 0.000 1.096 312 A CA -0.058 51.964 52.037 -0.024 0.000 0.778 312 A CB 0.042 19.030 19.000 -0.020 0.000 1.031 312 A HN 0.204 nan 8.150 nan 0.000 0.494 313 T N 2.825 117.356 114.554 -0.038 0.000 2.943 313 T HA 0.407 4.758 4.350 0.001 0.000 0.284 313 T C 1.533 176.186 174.700 -0.078 0.000 1.015 313 T CA -0.700 61.366 62.100 -0.056 0.000 1.042 313 T CB 1.069 69.918 68.868 -0.032 0.000 1.055 313 T HN 0.434 nan 8.240 nan 0.000 0.500 314 L N 0.798 121.933 121.223 -0.145 0.000 2.127 314 L HA -0.169 4.172 4.340 0.001 0.000 0.211 314 L C 2.724 179.618 176.870 0.041 0.000 1.089 314 L CA 1.617 56.324 54.840 -0.221 0.000 0.757 314 L CB -0.644 41.169 42.059 -0.409 0.000 0.899 314 L HN 0.834 nan 8.230 nan 0.000 0.434 315 E N -0.689 119.535 120.200 0.040 0.000 2.285 315 E HA -0.160 4.191 4.350 0.001 0.000 0.194 315 E C 1.174 177.809 176.600 0.057 0.000 0.997 315 E CA 0.826 57.269 56.400 0.071 0.000 0.845 315 E CB -0.142 29.584 29.700 0.044 0.000 0.782 315 E HN 0.485 nan 8.360 nan 0.000 0.491 316 D N 0.962 121.383 120.400 0.035 0.000 2.103 316 D HA -0.038 4.603 4.640 0.001 0.000 0.199 316 D C 0.786 177.117 176.300 0.052 0.000 0.978 316 D CA 0.498 54.517 54.000 0.031 0.000 0.829 316 D CB -0.004 40.803 40.800 0.012 0.000 0.981 316 D HN 0.123 nan 8.370 nan 0.000 0.464 317 L N 0.629 121.898 121.223 0.075 0.000 2.473 317 L HA 0.189 4.529 4.340 0.001 0.000 0.265 317 L C 1.363 178.329 176.870 0.160 0.000 1.243 317 L CA 0.541 55.455 54.840 0.124 0.000 0.822 317 L CB 0.296 42.451 42.059 0.160 0.000 1.101 317 L HN -0.110 nan 8.230 nan 0.000 0.507 318 G N -0.226 108.658 108.800 0.141 0.000 2.521 318 G HA2 0.666 4.626 3.960 0.001 0.000 0.323 318 G HA3 0.666 4.626 3.960 0.001 0.000 0.323 318 G C -1.197 173.728 174.900 0.041 0.000 1.211 318 G CA -0.376 44.772 45.100 0.080 0.000 0.979 318 G HN 0.502 nan 8.290 nan 0.000 0.490 319 Q N -1.531 118.229 119.800 -0.067 0.000 2.456 319 Q HA 0.631 4.971 4.340 0.001 0.000 0.284 319 Q C -1.087 174.849 176.000 -0.106 0.000 1.061 319 Q CA -0.901 54.793 55.803 -0.182 0.000 0.799 319 Q CB 2.731 31.230 28.738 -0.397 0.000 1.445 319 Q HN 0.840 nan 8.270 nan 0.000 0.411 320 A N 0.677 123.436 122.820 -0.102 0.000 2.515 320 A HA 0.404 4.724 4.320 0.001 0.000 0.298 320 A C -0.167 177.375 177.584 -0.070 0.000 1.059 320 A CA -0.595 51.405 52.037 -0.063 0.000 0.698 320 A CB 1.708 20.694 19.000 -0.022 0.000 1.289 320 A HN 0.787 nan 8.150 nan 0.000 0.404 321 K N -0.167 120.201 120.400 -0.054 0.000 2.147 321 K HA -0.009 4.311 4.320 0.001 0.000 0.205 321 K C 0.619 177.197 176.600 -0.036 0.000 1.049 321 K CA 1.361 57.619 56.287 -0.049 0.000 0.936 321 K CB 0.035 32.513 32.500 -0.037 0.000 0.722 321 K HN 0.627 nan 8.250 nan 0.000 0.446 322 R N -0.919 119.565 120.500 -0.026 0.000 2.739 322 R HA 0.417 4.757 4.340 0.001 0.000 0.271 322 R C -2.030 174.263 176.300 -0.011 0.000 1.010 322 R CA -0.704 55.386 56.100 -0.018 0.000 0.897 322 R CB 2.606 32.899 30.300 -0.012 0.000 1.236 322 R HN -0.059 nan 8.270 nan 0.000 0.466 323 V N 2.989 122.898 119.914 -0.008 0.000 2.808 323 V HA 0.721 4.841 4.120 0.001 0.000 0.308 323 V C -1.401 174.690 176.094 -0.006 0.000 1.099 323 V CA -0.473 61.823 62.300 -0.006 0.000 0.920 323 V CB 2.173 33.998 31.823 0.003 0.000 1.014 323 V HN 0.581 nan 8.190 nan 0.000 0.425 324 V N 4.568 124.474 119.914 -0.013 0.000 2.876 324 V HA 0.874 4.995 4.120 0.001 0.000 0.312 324 V C -1.160 174.924 176.094 -0.016 0.000 1.085 324 V CA -0.718 61.583 62.300 0.001 0.000 0.945 324 V CB 1.893 33.726 31.823 0.017 0.000 1.017 324 V HN 0.785 nan 8.190 nan 0.000 0.428 325 I N 4.120 124.707 120.570 0.028 0.000 2.722 325 I HA 0.651 4.822 4.170 0.001 0.000 0.295 325 I C -0.325 175.870 176.117 0.130 0.000 1.161 325 I CA -0.279 61.051 61.300 0.051 0.000 1.032 325 I CB 2.354 40.428 38.000 0.122 0.000 1.244 325 I HN 1.031 nan 8.210 nan 0.000 0.421 326 N N 3.694 122.430 118.700 0.061 0.000 3.278 326 N HA 0.331 5.071 4.740 0.001 0.000 0.307 326 N C 0.511 175.849 175.510 -0.287 0.000 1.551 326 N CA -0.821 52.264 53.050 0.058 0.000 0.794 326 N CB 1.298 39.742 38.487 -0.070 0.000 1.770 326 N HN 0.532 nan 8.380 nan 0.000 0.612 327 K N 0.087 120.310 120.400 -0.294 0.000 2.097 327 K HA -0.280 4.041 4.320 0.001 0.000 0.223 327 K C -0.555 175.700 176.600 -0.574 0.000 1.049 327 K CA 3.110 59.113 56.287 -0.474 0.000 0.956 327 K CB -0.527 31.862 32.500 -0.186 0.000 0.746 327 K HN 0.857 nan 8.250 nan 0.000 0.461 328 D N -1.315 118.881 120.400 -0.339 0.000 3.256 328 D HA 0.173 4.813 4.640 0.001 0.000 0.332 328 D C -1.264 174.939 176.300 -0.162 0.000 1.327 328 D CA -0.528 53.333 54.000 -0.232 0.000 0.735 328 D CB 0.930 41.643 40.800 -0.145 0.000 1.280 328 D HN -0.004 nan 8.370 nan 0.000 0.572 329 T N -0.822 113.612 114.554 -0.199 0.000 2.932 329 T HA 0.705 5.056 4.350 0.001 0.000 0.318 329 T C -0.725 173.810 174.700 -0.275 0.000 1.265 329 T CA -0.665 61.314 62.100 -0.202 0.000 1.036 329 T CB 2.154 70.933 68.868 -0.149 0.000 1.209 329 T HN 0.000 nan 8.240 nan 0.000 0.484 330 T N 1.386 115.645 114.554 -0.491 0.000 2.900 330 T HA 0.795 5.145 4.350 0.001 0.000 0.295 330 T C -0.840 173.532 174.700 -0.547 0.000 1.044 330 T CA -0.676 61.064 62.100 -0.600 0.000 0.995 330 T CB 2.105 70.322 68.868 -1.085 0.000 1.072 330 T HN 0.711 nan 8.240 nan 0.000 0.473 331 T N 1.972 116.351 114.554 -0.292 0.000 2.952 331 T HA 0.647 4.997 4.350 0.001 0.000 0.305 331 T C -0.773 173.887 174.700 -0.067 0.000 1.064 331 T CA -0.799 61.203 62.100 -0.163 0.000 1.008 331 T CB 0.343 69.162 68.868 -0.081 0.000 1.078 331 T HN 0.602 nan 8.240 nan 0.000 0.459 332 I N 2.848 123.419 120.570 0.002 0.000 2.577 332 I HA 0.731 4.902 4.170 0.001 0.000 0.300 332 I C -0.731 175.396 176.117 0.015 0.000 0.990 332 I CA -0.916 60.401 61.300 0.028 0.000 1.283 332 I CB 1.140 39.183 38.000 0.072 0.000 1.411 332 I HN 0.517 nan 8.210 nan 0.000 0.515 333 I N 2.680 123.253 120.570 0.005 0.000 2.534 333 I HA 0.265 4.435 4.170 0.001 0.000 0.288 333 I C -0.978 175.134 176.117 -0.008 0.000 1.077 333 I CA -0.586 60.713 61.300 -0.002 0.000 1.051 333 I CB 1.769 39.765 38.000 -0.006 0.000 1.234 333 I HN 0.697 nan 8.210 nan 0.000 0.425 334 D N 4.817 125.212 120.400 -0.008 0.000 3.038 334 D HA -0.131 4.510 4.640 0.001 0.000 0.229 334 D C 0.401 176.689 176.300 -0.019 0.000 1.182 334 D CA 1.119 55.111 54.000 -0.013 0.000 0.852 334 D CB -0.155 40.635 40.800 -0.017 0.000 0.932 334 D HN 0.863 nan 8.370 nan 0.000 0.406 335 G N 0.739 109.531 108.800 -0.013 0.000 2.491 335 G HA2 0.319 4.280 3.960 0.001 0.000 0.238 335 G HA3 0.319 4.280 3.960 0.001 0.000 0.238 335 G C 0.826 175.709 174.900 -0.029 0.000 1.277 335 G CA -0.402 44.688 45.100 -0.018 0.000 0.851 335 G HN 0.442 nan 8.290 nan 0.000 0.573 336 V N 3.150 123.038 119.914 -0.043 0.000 1.984 336 V HA 0.330 4.450 4.120 0.001 0.000 0.272 336 V C 1.326 177.402 176.094 -0.029 0.000 1.706 336 V CA 0.533 62.804 62.300 -0.049 0.000 1.644 336 V CB -0.755 31.017 31.823 -0.085 0.000 1.509 336 V HN 0.885 nan 8.190 nan 0.000 0.511 337 G N 0.694 109.482 108.800 -0.019 0.000 3.099 337 G HA2 0.678 4.638 3.960 0.001 0.000 0.151 337 G HA3 0.678 4.638 3.960 0.001 0.000 0.151 337 G C -0.633 174.261 174.900 -0.010 0.000 1.265 337 G CA -0.205 44.889 45.100 -0.011 0.000 0.981 337 G HN 0.344 nan 8.290 nan 0.000 0.601 338 E N -1.055 119.141 120.200 -0.008 0.000 2.390 338 E HA 0.224 4.574 4.350 0.001 0.000 0.277 338 E C 0.603 177.199 176.600 -0.006 0.000 0.939 338 E CA -0.630 55.765 56.400 -0.007 0.000 0.769 338 E CB 2.184 31.881 29.700 -0.005 0.000 1.251 338 E HN 0.400 nan 8.360 nan 0.000 0.450 339 E N 0.949 121.145 120.200 -0.006 0.000 2.097 339 E HA -0.204 4.146 4.350 0.001 0.000 0.196 339 E C 1.579 178.177 176.600 -0.005 0.000 1.000 339 E CA 1.499 57.895 56.400 -0.005 0.000 0.804 339 E CB 0.018 29.715 29.700 -0.005 0.000 0.740 339 E HN 0.562 nan 8.360 nan 0.000 0.454 340 A N 1.166 123.983 122.820 -0.004 0.000 1.978 340 A HA -0.104 4.216 4.320 0.001 0.000 0.220 340 A C 2.332 179.913 177.584 -0.004 0.000 1.170 340 A CA 1.977 54.012 52.037 -0.004 0.000 0.636 340 A CB -0.334 18.664 19.000 -0.003 0.000 0.810 340 A HN 0.277 nan 8.150 nan 0.000 0.448 341 A N -0.517 122.301 122.820 -0.004 0.000 1.935 341 A HA 0.187 4.508 4.320 0.001 0.000 0.214 341 A C 2.057 179.638 177.584 -0.005 0.000 1.178 341 A CA 0.985 53.020 52.037 -0.004 0.000 0.640 341 A CB -0.375 18.623 19.000 -0.004 0.000 0.825 341 A HN 0.445 nan 8.150 nan 0.000 0.447 342 I N -0.323 120.244 120.570 -0.005 0.000 2.110 342 I HA -0.228 3.942 4.170 0.001 0.000 0.236 342 I C 2.567 178.681 176.117 -0.005 0.000 1.068 342 I CA 1.126 62.424 61.300 -0.004 0.000 1.333 342 I CB -0.379 37.619 38.000 -0.003 0.000 1.054 342 I HN 0.252 nan 8.210 nan 0.000 0.402 343 Q N 0.817 120.615 119.800 -0.005 0.000 2.170 343 Q HA -0.103 4.237 4.340 0.001 0.000 0.203 343 Q C 2.283 178.280 176.000 -0.006 0.000 0.976 343 Q CA 1.676 57.476 55.803 -0.005 0.000 0.858 343 Q CB -0.976 27.759 28.738 -0.005 0.000 0.907 343 Q HN 0.621 nan 8.270 nan 0.000 0.433 344 G N 0.890 109.686 108.800 -0.005 0.000 2.422 344 G HA2 -0.292 3.669 3.960 0.001 0.000 0.218 344 G HA3 -0.292 3.669 3.960 0.001 0.000 0.218 344 G C 1.711 176.606 174.900 -0.007 0.000 1.146 344 G CA 0.822 45.919 45.100 -0.006 0.000 0.769 344 G HN 0.257 nan 8.290 nan 0.000 0.547 345 R N 0.304 120.800 120.500 -0.008 0.000 2.073 345 R HA 0.043 4.383 4.340 0.001 0.000 0.229 345 R C 2.596 178.889 176.300 -0.011 0.000 1.120 345 R CA 1.225 57.319 56.100 -0.010 0.000 0.967 345 R CB -0.877 29.416 30.300 -0.011 0.000 0.862 345 R HN 0.200 nan 8.270 nan 0.000 0.436 346 V N 0.946 120.854 119.914 -0.010 0.000 2.332 346 V HA -0.241 3.880 4.120 0.001 0.000 0.248 346 V C 2.356 178.444 176.094 -0.010 0.000 1.055 346 V CA 1.970 64.264 62.300 -0.010 0.000 1.038 346 V CB -1.035 30.783 31.823 -0.008 0.000 0.651 346 V HN 0.514 nan 8.190 nan 0.000 0.450 347 A N -0.766 122.049 122.820 -0.008 0.000 1.877 347 A HA -0.284 4.036 4.320 0.001 0.000 0.216 347 A C 2.188 179.767 177.584 -0.009 0.000 1.186 347 A CA 1.878 53.910 52.037 -0.008 0.000 0.620 347 A CB -0.528 18.469 19.000 -0.006 0.000 0.822 347 A HN 0.604 nan 8.150 nan 0.000 0.443 348 Q N -0.574 119.221 119.800 -0.010 0.000 2.197 348 Q HA -0.159 4.181 4.340 0.001 0.000 0.207 348 Q C 1.931 177.923 176.000 -0.013 0.000 0.984 348 Q CA 1.671 57.468 55.803 -0.011 0.000 0.869 348 Q CB -0.367 28.364 28.738 -0.012 0.000 0.906 348 Q HN 0.784 nan 8.270 nan 0.000 0.426 349 I N -0.182 120.379 120.570 -0.015 0.000 2.406 349 I HA -0.201 3.969 4.170 0.001 0.000 0.249 349 I C 2.197 178.305 176.117 -0.015 0.000 1.122 349 I CA 0.781 62.070 61.300 -0.018 0.000 1.431 349 I CB -0.167 37.820 38.000 -0.022 0.000 1.087 349 I HN 0.088 nan 8.210 nan 0.000 0.424 350 R N 0.451 120.944 120.500 -0.013 0.000 2.120 350 R HA -0.162 4.178 4.340 0.001 0.000 0.234 350 R C 2.007 178.302 176.300 -0.008 0.000 1.123 350 R CA 0.973 57.067 56.100 -0.010 0.000 0.975 350 R CB -0.187 30.107 30.300 -0.009 0.000 0.866 350 R HN 0.245 nan 8.270 nan 0.000 0.446 351 Q N 0.284 120.079 119.800 -0.008 0.000 2.515 351 Q HA -0.077 4.263 4.340 0.001 0.000 0.212 351 Q C 1.253 177.249 176.000 -0.006 0.000 0.970 351 Q CA 1.140 56.939 55.803 -0.006 0.000 0.941 351 Q CB 0.265 29.000 28.738 -0.006 0.000 0.998 351 Q HN 0.400 nan 8.270 nan 0.000 0.518 352 Q N -1.203 118.592 119.800 -0.009 0.000 2.324 352 Q HA 0.167 4.507 4.340 0.001 0.000 0.207 352 Q C 1.624 177.620 176.000 -0.006 0.000 0.928 352 Q CA 0.260 56.058 55.803 -0.008 0.000 0.890 352 Q CB 0.336 29.067 28.738 -0.013 0.000 1.001 352 Q HN 0.344 nan 8.270 nan 0.000 0.517 353 I N 1.488 122.053 120.570 -0.009 0.000 2.423 353 I HA -0.280 3.891 4.170 0.001 0.000 0.254 353 I C 2.289 178.404 176.117 -0.003 0.000 1.151 353 I CA 1.121 62.416 61.300 -0.007 0.000 1.421 353 I CB -0.246 37.748 38.000 -0.010 0.000 1.079 353 I HN 0.332 nan 8.210 nan 0.000 0.431 354 E N 1.136 121.334 120.200 -0.002 0.000 2.233 354 E HA -0.289 4.061 4.350 0.001 0.000 0.199 354 E C 1.720 178.321 176.600 0.002 0.000 1.004 354 E CA 1.385 57.785 56.400 -0.000 0.000 0.819 354 E CB 0.141 29.840 29.700 -0.001 0.000 0.738 354 E HN 0.445 nan 8.360 nan 0.000 0.478 355 E N -0.722 119.480 120.200 0.004 0.000 2.274 355 E HA -0.003 4.347 4.350 0.001 0.000 0.194 355 E C 1.226 177.832 176.600 0.010 0.000 0.996 355 E CA 0.984 57.389 56.400 0.007 0.000 0.840 355 E CB 0.035 29.741 29.700 0.009 0.000 0.772 355 E HN 0.401 nan 8.360 nan 0.000 0.491 356 A N -0.749 122.076 122.820 0.009 0.000 4.414 356 A HA -0.388 3.932 4.320 0.001 0.000 0.259 356 A C 2.026 179.618 177.584 0.014 0.000 0.774 356 A CA 2.438 54.481 52.037 0.009 0.000 1.184 356 A CB -2.703 16.301 19.000 0.007 0.000 1.070 356 A HN 0.470 nan 8.150 nan 0.000 0.747 357 T N -2.072 112.493 114.554 0.019 0.000 2.668 357 T HA 0.234 4.585 4.350 0.001 0.000 0.258 357 T C 1.235 175.953 174.700 0.031 0.000 1.051 357 T CA 1.576 63.689 62.100 0.022 0.000 1.155 357 T CB -0.643 68.238 68.868 0.022 0.000 0.864 357 T HN 1.666 nan 8.240 nan 0.000 0.413 358 S N 1.037 116.763 115.700 0.043 0.000 2.545 358 S HA 0.132 4.603 4.470 0.001 0.000 0.275 358 S C 0.758 175.400 174.600 0.071 0.000 1.299 358 S CA -0.700 57.540 58.200 0.066 0.000 1.048 358 S CB 0.311 63.566 63.200 0.092 0.000 0.938 358 S HN 0.334 nan 8.310 nan 0.000 0.496 359 D N 3.072 123.519 120.400 0.078 0.000 2.149 359 D HA -0.125 4.516 4.640 0.001 0.000 0.201 359 D C 1.295 177.643 176.300 0.081 0.000 0.972 359 D CA 1.244 55.283 54.000 0.066 0.000 0.835 359 D CB -0.150 40.688 40.800 0.063 0.000 0.966 359 D HN 0.819 nan 8.370 nan 0.000 0.476 360 Y N 2.377 122.685 120.300 0.014 0.000 2.145 360 Y HA -0.233 4.318 4.550 0.001 0.000 0.286 360 Y C 1.577 177.484 175.900 0.012 0.000 1.145 360 Y CA 1.939 60.049 58.100 0.018 0.000 1.148 360 Y CB -0.158 38.317 38.460 0.025 0.000 0.981 360 Y HN -0.157 nan 8.280 nan 0.000 0.507 361 D N -0.554 119.919 120.400 0.122 0.000 2.097 361 D HA -0.134 4.507 4.640 0.001 0.000 0.197 361 D C 2.223 178.495 176.300 -0.046 0.000 0.984 361 D CA 1.565 55.587 54.000 0.035 0.000 0.826 361 D CB -0.222 40.638 40.800 0.100 0.000 0.973 361 D HN 0.249 nan 8.370 nan 0.000 0.460 362 R N 0.502 120.991 120.500 -0.018 0.000 2.103 362 R HA -0.159 4.181 4.340 0.001 0.000 0.242 362 R C 2.218 178.481 176.300 -0.061 0.000 1.142 362 R CA 1.210 57.293 56.100 -0.029 0.000 0.960 362 R CB -0.173 30.123 30.300 -0.008 0.000 0.858 362 R HN 0.323 nan 8.270 nan 0.000 0.439 363 E N 0.805 120.951 120.200 -0.090 0.000 2.031 363 E HA -0.217 4.133 4.350 0.001 0.000 0.193 363 E C 1.685 178.193 176.600 -0.155 0.000 0.994 363 E CA 1.394 57.726 56.400 -0.113 0.000 0.800 363 E CB 0.172 29.798 29.700 -0.123 0.000 0.752 363 E HN 0.020 nan 8.360 nan 0.000 0.447 364 K N 0.396 120.642 120.400 -0.257 0.000 2.147 364 K HA -0.078 4.242 4.320 0.001 0.000 0.205 364 K C 2.034 178.551 176.600 -0.139 0.000 1.049 364 K CA 0.687 56.827 56.287 -0.245 0.000 0.936 364 K CB -0.157 32.113 32.500 -0.384 0.000 0.722 364 K HN 0.168 nan 8.250 nan 0.000 0.446 365 L N -0.128 121.031 121.223 -0.107 0.000 2.072 365 L HA -0.174 4.166 4.340 0.001 0.000 0.205 365 L C 2.463 179.301 176.870 -0.053 0.000 1.079 365 L CA 1.051 55.852 54.840 -0.066 0.000 0.752 365 L CB -0.325 41.706 42.059 -0.047 0.000 0.906 365 L HN 0.149 nan 8.230 nan 0.000 0.436 366 Q N 0.560 120.329 119.800 -0.052 0.000 2.119 366 Q HA -0.200 4.140 4.340 0.001 0.000 0.201 366 Q C 1.924 177.902 176.000 -0.037 0.000 0.972 366 Q CA 1.562 57.342 55.803 -0.038 0.000 0.847 366 Q CB -0.027 28.691 28.738 -0.033 0.000 0.903 366 Q HN 0.431 nan 8.270 nan 0.000 0.433 367 E N -0.330 119.840 120.200 -0.050 0.000 2.058 367 E HA -0.224 4.127 4.350 0.001 0.000 0.194 367 E C 2.147 178.730 176.600 -0.029 0.000 0.997 367 E CA 1.307 57.683 56.400 -0.040 0.000 0.801 367 E CB -0.101 29.565 29.700 -0.057 0.000 0.746 367 E HN 0.309 nan 8.360 nan 0.000 0.450 368 R N 0.319 120.795 120.500 -0.039 0.000 2.073 368 R HA -0.119 4.221 4.340 0.001 0.000 0.234 368 R C 2.493 178.781 176.300 -0.019 0.000 1.134 368 R CA 1.171 57.253 56.100 -0.030 0.000 0.952 368 R CB -0.480 29.793 30.300 -0.045 0.000 0.850 368 R HN 0.041 nan 8.270 nan 0.000 0.433 369 V N 1.082 120.982 119.914 -0.022 0.000 2.287 369 V HA -0.293 3.828 4.120 0.001 0.000 0.248 369 V C 2.417 178.506 176.094 -0.009 0.000 1.053 369 V CA 2.085 64.376 62.300 -0.015 0.000 1.027 369 V CB -0.723 31.090 31.823 -0.017 0.000 0.646 369 V HN 0.462 nan 8.190 nan 0.000 0.447 370 A N -0.571 122.243 122.820 -0.009 0.000 1.858 370 A HA -0.181 4.140 4.320 0.001 0.000 0.216 370 A C 2.215 179.801 177.584 0.004 0.000 1.190 370 A CA 1.554 53.589 52.037 -0.004 0.000 0.617 370 A CB -0.425 18.571 19.000 -0.005 0.000 0.827 370 A HN 0.391 nan 8.150 nan 0.000 0.443 371 K N -0.798 119.607 120.400 0.009 0.000 2.362 371 K HA -0.013 4.307 4.320 0.001 0.000 0.200 371 K C 1.641 178.257 176.600 0.026 0.000 1.046 371 K CA 0.773 57.074 56.287 0.024 0.000 0.952 371 K CB -0.364 32.160 32.500 0.040 0.000 0.753 371 K HN 0.472 nan 8.250 nan 0.000 0.466 372 L N -0.171 121.060 121.223 0.013 0.000 2.221 372 L HA 0.173 4.513 4.340 0.001 0.000 0.202 372 L C 1.962 178.836 176.870 0.006 0.000 1.074 372 L CA 1.253 56.100 54.840 0.011 0.000 0.795 372 L CB -0.417 41.643 42.059 0.001 0.000 0.960 372 L HN 0.016 nan 8.230 nan 0.000 0.458 373 A N -0.739 122.082 122.820 0.002 0.000 1.935 373 A HA 0.160 4.480 4.320 0.001 0.000 0.214 373 A C 2.163 179.747 177.584 0.001 0.000 1.178 373 A CA 0.951 52.988 52.037 -0.000 0.000 0.640 373 A CB -1.250 17.749 19.000 -0.003 0.000 0.825 373 A HN 0.464 nan 8.150 nan 0.000 0.447 374 G N -1.137 107.664 108.800 0.002 0.000 2.511 374 G HA2 0.383 4.343 3.960 0.001 0.000 0.217 374 G HA3 0.383 4.343 3.960 0.001 0.000 0.217 374 G C 1.115 176.016 174.900 0.001 0.000 1.133 374 G CA 0.731 45.832 45.100 0.001 0.000 0.792 374 G HN 1.610 nan 8.290 nan 0.000 0.539 375 G N -1.528 107.274 108.800 0.003 0.000 2.642 375 G HA2 -0.008 3.952 3.960 0.001 0.000 0.231 375 G HA3 -0.008 3.952 3.960 0.001 0.000 0.231 375 G C -0.624 174.277 174.900 0.002 0.000 1.338 375 G CA -0.223 44.879 45.100 0.003 0.000 0.883 375 G HN 1.030 nan 8.290 nan 0.000 0.570 376 V N -0.062 119.850 119.914 -0.002 0.000 2.841 376 V HA 0.787 4.908 4.120 0.001 0.000 0.310 376 V C 0.600 176.688 176.094 -0.009 0.000 1.090 376 V CA -0.083 62.214 62.300 -0.005 0.000 0.930 376 V CB 1.507 33.327 31.823 -0.004 0.000 1.014 376 V HN 2.219 nan 8.190 nan 0.000 0.425 377 A N 3.454 126.266 122.820 -0.014 0.000 2.312 377 A HA 0.967 5.287 4.320 0.001 0.000 0.326 377 A C -0.489 177.083 177.584 -0.020 0.000 1.172 377 A CA -0.504 51.523 52.037 -0.017 0.000 0.821 377 A CB 1.553 20.541 19.000 -0.019 0.000 1.166 377 A HN 1.724 nan 8.150 nan 0.000 0.493 378 V N -0.308 119.595 119.914 -0.018 0.000 2.971 378 V HA 0.790 4.910 4.120 0.001 0.000 0.309 378 V C -0.905 175.179 176.094 -0.018 0.000 1.130 378 V CA -0.705 61.584 62.300 -0.018 0.000 0.964 378 V CB 1.570 33.385 31.823 -0.013 0.000 1.029 378 V HN 0.691 nan 8.190 nan 0.000 0.427 379 I N 2.823 123.382 120.570 -0.018 0.000 2.439 379 I HA 0.476 4.646 4.170 0.001 0.000 0.285 379 I C -0.204 175.905 176.117 -0.012 0.000 1.021 379 I CA -0.569 60.721 61.300 -0.017 0.000 1.091 379 I CB 1.952 39.938 38.000 -0.022 0.000 1.242 379 I HN 0.627 nan 8.210 nan 0.000 0.439 380 K N 5.711 126.105 120.400 -0.009 0.000 2.267 380 K HA 0.416 4.737 4.320 0.001 0.000 0.282 380 K C -0.709 175.888 176.600 -0.005 0.000 1.078 380 K CA -0.491 55.792 56.287 -0.006 0.000 0.903 380 K CB 1.506 34.002 32.500 -0.006 0.000 1.111 380 K HN 0.305 nan 8.250 nan 0.000 0.475 381 V N 3.071 122.983 119.914 -0.004 0.000 2.408 381 V HA 0.257 4.377 4.120 0.001 0.000 0.267 381 V C 0.746 176.839 176.094 -0.001 0.000 1.047 381 V CA -0.536 61.762 62.300 -0.003 0.000 0.937 381 V CB 1.063 32.886 31.823 -0.001 0.000 0.999 381 V HN 0.888 nan 8.190 nan 0.000 0.472 382 G N 3.227 112.026 108.800 -0.002 0.000 2.441 382 G HA2 0.873 4.833 3.960 0.001 0.000 0.334 382 G HA3 0.873 4.833 3.960 0.001 0.000 0.334 382 G C -0.547 174.352 174.900 -0.001 0.000 1.161 382 G CA 0.088 45.187 45.100 -0.001 0.000 0.935 382 G HN 1.227 nan 8.290 nan 0.000 0.488 383 A N -0.716 122.104 122.820 0.000 0.000 2.483 383 A HA 0.745 5.065 4.320 0.001 0.000 0.294 383 A C 0.514 178.098 177.584 0.001 0.000 1.077 383 A CA 0.394 52.431 52.037 0.001 0.000 0.633 383 A CB 0.228 19.229 19.000 0.002 0.000 1.318 383 A HN 1.919 nan 8.150 nan 0.000 0.455 384 A N -0.898 121.923 122.820 0.001 0.000 2.178 384 A HA 0.559 4.879 4.320 0.001 0.000 0.211 384 A C 0.921 178.506 177.584 0.002 0.000 1.157 384 A CA 1.826 53.864 52.037 0.001 0.000 0.780 384 A CB -0.173 18.827 19.000 0.001 0.000 0.828 384 A HN 2.083 nan 8.150 nan 0.000 0.476 385 T N -2.470 112.086 114.554 0.003 0.000 2.886 385 T HA 0.250 4.601 4.350 0.001 0.000 0.330 385 T C 0.421 175.124 174.700 0.005 0.000 1.488 385 T CA 0.062 62.164 62.100 0.004 0.000 1.054 385 T CB 1.373 70.243 68.868 0.004 0.000 1.348 385 T HN 0.272 nan 8.240 nan 0.000 0.489 386 E N 1.428 121.632 120.200 0.006 0.000 2.097 386 E HA -0.134 4.217 4.350 0.001 0.000 0.196 386 E C 1.699 178.304 176.600 0.009 0.000 1.000 386 E CA 2.073 58.477 56.400 0.008 0.000 0.804 386 E CB -0.055 29.650 29.700 0.009 0.000 0.740 386 E HN 0.500 nan 8.360 nan 0.000 0.454 387 V N 0.921 120.841 119.914 0.010 0.000 2.427 387 V HA -0.217 3.904 4.120 0.001 0.000 0.248 387 V C 2.373 178.473 176.094 0.010 0.000 1.051 387 V CA 2.171 64.478 62.300 0.011 0.000 1.048 387 V CB -0.532 31.298 31.823 0.011 0.000 0.666 387 V HN 0.340 nan 8.190 nan 0.000 0.456 388 E N -0.461 119.743 120.200 0.008 0.000 2.107 388 E HA -0.194 4.157 4.350 0.001 0.000 0.191 388 E C 2.255 178.859 176.600 0.006 0.000 0.982 388 E CA 1.014 57.417 56.400 0.006 0.000 0.809 388 E CB -0.096 29.606 29.700 0.004 0.000 0.756 388 E HN 0.456 nan 8.360 nan 0.000 0.459 389 M N 0.998 120.601 119.600 0.006 0.000 2.067 389 M HA -0.186 4.294 4.480 0.001 0.000 0.260 389 M C 1.846 178.151 176.300 0.008 0.000 1.069 389 M CA 1.722 57.025 55.300 0.006 0.000 1.117 389 M CB -0.252 32.352 32.600 0.005 0.000 1.334 389 M HN -0.054 nan 8.290 nan 0.000 0.407 390 K N -0.252 120.154 120.400 0.010 0.000 2.211 390 K HA -0.167 4.153 4.320 0.001 0.000 0.203 390 K C 1.999 178.607 176.600 0.014 0.000 1.050 390 K CA 1.039 57.334 56.287 0.013 0.000 0.945 390 K CB -0.178 32.331 32.500 0.014 0.000 0.732 390 K HN 0.387 nan 8.250 nan 0.000 0.451 391 E N 1.801 122.009 120.200 0.013 0.000 2.017 391 E HA -0.223 4.127 4.350 0.001 0.000 0.193 391 E C 1.895 178.501 176.600 0.011 0.000 0.997 391 E CA 1.464 57.872 56.400 0.013 0.000 0.804 391 E CB 0.060 29.766 29.700 0.011 0.000 0.757 391 E HN 0.131 nan 8.360 nan 0.000 0.448 392 K N 0.701 121.106 120.400 0.008 0.000 2.032 392 K HA -0.191 4.129 4.320 0.001 0.000 0.209 392 K C 2.403 179.007 176.600 0.007 0.000 1.048 392 K CA 1.689 57.980 56.287 0.006 0.000 0.927 392 K CB -0.106 32.397 32.500 0.004 0.000 0.712 392 K HN -0.058 nan 8.250 nan 0.000 0.441 393 K N -0.124 120.281 120.400 0.009 0.000 2.057 393 K HA -0.109 4.212 4.320 0.001 0.000 0.206 393 K C 1.986 178.596 176.600 0.017 0.000 1.050 393 K CA 1.163 57.456 56.287 0.011 0.000 0.935 393 K CB -0.144 32.362 32.500 0.011 0.000 0.715 393 K HN 0.224 nan 8.250 nan 0.000 0.439 394 A N 1.498 124.329 122.820 0.019 0.000 1.978 394 A HA -0.206 4.115 4.320 0.001 0.000 0.220 394 A C 2.090 179.689 177.584 0.024 0.000 1.170 394 A CA 1.589 53.640 52.037 0.023 0.000 0.636 394 A CB -0.502 18.511 19.000 0.022 0.000 0.810 394 A HN 0.367 nan 8.150 nan 0.000 0.448 395 R N -0.458 120.053 120.500 0.019 0.000 2.062 395 R HA -0.083 4.257 4.340 0.001 0.000 0.231 395 R C 1.922 178.232 176.300 0.016 0.000 1.136 395 R CA 1.839 57.949 56.100 0.017 0.000 0.948 395 R CB -0.470 29.837 30.300 0.012 0.000 0.845 395 R HN 0.259 nan 8.270 nan 0.000 0.430 396 V N 1.549 121.469 119.914 0.010 0.000 2.407 396 V HA -0.221 3.899 4.120 0.001 0.000 0.248 396 V C 1.970 178.066 176.094 0.004 0.000 1.055 396 V CA 2.049 64.349 62.300 -0.000 0.000 1.049 396 V CB -0.516 31.303 31.823 -0.007 0.000 0.662 396 V HN 0.439 nan 8.190 nan 0.000 0.455 397 E N -0.235 119.981 120.200 0.027 0.000 2.204 397 E HA -0.245 4.105 4.350 0.001 0.000 0.195 397 E C 1.728 178.399 176.600 0.118 0.000 0.990 397 E CA 1.568 58.007 56.400 0.066 0.000 0.821 397 E CB -0.079 29.662 29.700 0.067 0.000 0.750 397 E HN 0.697 nan 8.360 nan 0.000 0.477 398 D N -0.393 120.054 120.400 0.079 0.000 2.259 398 D HA 0.039 4.679 4.640 0.001 0.000 0.216 398 D C 1.810 178.150 176.300 0.068 0.000 0.961 398 D CA 0.899 54.952 54.000 0.090 0.000 0.878 398 D CB 0.065 40.900 40.800 0.057 0.000 1.009 398 D HN 0.120 nan 8.370 nan 0.000 0.490 399 A N 0.712 123.549 122.820 0.029 0.000 1.972 399 A HA -0.116 4.204 4.320 0.001 0.000 0.219 399 A C 2.068 179.641 177.584 -0.018 0.000 1.169 399 A CA 0.828 52.871 52.037 0.010 0.000 0.635 399 A CB -0.793 18.208 19.000 0.001 0.000 0.810 399 A HN 0.312 nan 8.150 nan 0.000 0.446 400 L N -1.276 119.908 121.223 -0.065 0.000 1.970 400 L HA -0.223 4.118 4.340 0.001 0.000 0.212 400 L C 2.638 179.399 176.870 -0.182 0.000 1.071 400 L CA 1.950 56.692 54.840 -0.164 0.000 0.751 400 L CB -0.515 41.382 42.059 -0.271 0.000 0.889 400 L HN 0.485 nan 8.230 nan 0.000 0.432 401 H N -0.315 118.757 119.070 0.003 0.000 2.423 401 H HA -0.045 4.511 4.556 0.001 0.000 0.297 401 H C 2.213 177.546 175.328 0.008 0.000 1.075 401 H CA 1.189 57.239 56.048 0.004 0.000 1.342 401 H CB -0.211 29.553 29.762 0.004 0.000 1.395 401 H HN 0.553 nan 8.280 nan 0.000 0.530 402 A N 0.683 123.568 122.820 0.108 0.000 1.865 402 A HA -0.197 4.123 4.320 0.001 0.000 0.217 402 A C 2.648 180.257 177.584 0.042 0.000 1.191 402 A CA 2.382 54.459 52.037 0.067 0.000 0.623 402 A CB -1.015 18.015 19.000 0.051 0.000 0.826 402 A HN 0.399 nan 8.150 nan 0.000 0.444 403 T N -0.455 114.110 114.554 0.019 0.000 2.622 403 T HA -0.173 4.177 4.350 0.001 0.000 0.266 403 T C 2.077 176.783 174.700 0.009 0.000 1.047 403 T CA 1.567 63.670 62.100 0.005 0.000 1.159 403 T CB -0.287 68.573 68.868 -0.013 0.000 0.863 403 T HN 0.462 nan 8.240 nan 0.000 0.422 404 R N 0.602 121.104 120.500 0.004 0.000 2.105 404 R HA -0.054 4.287 4.340 0.001 0.000 0.239 404 R C 2.703 179.026 176.300 0.038 0.000 1.135 404 R CA 1.339 57.449 56.100 0.016 0.000 0.967 404 R CB -0.411 29.897 30.300 0.014 0.000 0.861 404 R HN 0.403 nan 8.270 nan 0.000 0.442 405 A N 0.644 123.496 122.820 0.054 0.000 1.897 405 A HA 0.000 4.321 4.320 0.001 0.000 0.215 405 A C 2.305 179.909 177.584 0.034 0.000 1.181 405 A CA 1.296 53.363 52.037 0.049 0.000 0.620 405 A CB -0.481 18.555 19.000 0.060 0.000 0.821 405 A HN 0.377 nan 8.150 nan 0.000 0.443 406 A N -0.355 122.484 122.820 0.032 0.000 1.933 406 A HA -0.039 4.282 4.320 0.001 0.000 0.218 406 A C 2.128 179.723 177.584 0.018 0.000 1.175 406 A CA 1.720 53.772 52.037 0.025 0.000 0.628 406 A CB -1.027 17.987 19.000 0.023 0.000 0.814 406 A HN 0.422 nan 8.150 nan 0.000 0.444 407 V N 0.475 120.398 119.914 0.015 0.000 2.546 407 V HA -0.321 3.799 4.120 0.001 0.000 0.254 407 V C 2.272 178.372 176.094 0.011 0.000 1.076 407 V CA 2.310 64.617 62.300 0.011 0.000 1.087 407 V CB -0.936 30.892 31.823 0.008 0.000 0.674 407 V HN 0.665 nan 8.190 nan 0.000 0.470 408 E N -0.452 119.756 120.200 0.014 0.000 2.204 408 E HA -0.218 4.132 4.350 0.001 0.000 0.195 408 E C 1.865 178.471 176.600 0.010 0.000 0.990 408 E CA 1.327 57.734 56.400 0.012 0.000 0.821 408 E CB -0.014 29.695 29.700 0.015 0.000 0.750 408 E HN 0.696 nan 8.360 nan 0.000 0.477 409 E N -1.112 119.094 120.200 0.010 0.000 2.541 409 E HA 0.180 4.530 4.350 0.001 0.000 0.219 409 E C 0.547 177.152 176.600 0.008 0.000 0.922 409 E CA 0.161 56.566 56.400 0.008 0.000 1.095 409 E CB 1.422 31.126 29.700 0.006 0.000 1.112 409 E HN 0.229 nan 8.360 nan 0.000 0.516 410 G N 1.084 109.890 108.800 0.010 0.000 2.481 410 G HA2 -0.227 3.733 3.960 0.001 0.000 0.230 410 G HA3 -0.227 3.733 3.960 0.001 0.000 0.230 410 G C -0.496 174.410 174.900 0.010 0.000 1.210 410 G CA -0.402 44.703 45.100 0.009 0.000 0.936 410 G HN 0.571 nan 8.290 nan 0.000 0.583 411 V N -2.178 117.742 119.914 0.010 0.000 2.925 411 V HA 0.978 5.098 4.120 0.001 0.000 0.311 411 V C 0.407 176.508 176.094 0.013 0.000 1.104 411 V CA 0.248 62.555 62.300 0.011 0.000 0.954 411 V CB 1.178 33.007 31.823 0.010 0.000 1.022 411 V HN 2.463 nan 8.190 nan 0.000 0.427 412 V N -0.177 119.746 119.914 0.015 0.000 3.165 412 V HA 1.033 5.154 4.120 0.001 0.000 0.309 412 V C 0.471 176.578 176.094 0.021 0.000 1.267 412 V CA -0.742 61.569 62.300 0.018 0.000 1.067 412 V CB 1.215 33.048 31.823 0.018 0.000 1.082 412 V HN 2.110 nan 8.190 nan 0.000 0.451 413 A N 0.413 123.248 122.820 0.026 0.000 2.488 413 A HA 0.679 5.000 4.320 0.001 0.000 0.249 413 A C 0.781 178.386 177.584 0.034 0.000 1.083 413 A CA 0.587 52.643 52.037 0.032 0.000 0.768 413 A CB -0.453 18.572 19.000 0.041 0.000 1.017 413 A HN 1.950 nan 8.150 nan 0.000 0.496 414 G N 0.483 109.302 108.800 0.032 0.000 2.508 414 G HA2 0.512 4.472 3.960 0.001 0.000 0.278 414 G HA3 0.512 4.472 3.960 0.001 0.000 0.278 414 G C 1.142 176.068 174.900 0.043 0.000 1.389 414 G CA -0.030 45.089 45.100 0.032 0.000 1.050 414 G HN 2.223 nan 8.290 nan 0.000 0.522 415 G N -2.122 106.703 108.800 0.042 0.000 2.187 415 G HA2 0.181 4.141 3.960 0.001 0.000 0.261 415 G HA3 0.181 4.141 3.960 0.001 0.000 0.261 415 G C 1.540 176.470 174.900 0.049 0.000 1.000 415 G CA 1.280 46.411 45.100 0.052 0.000 0.718 415 G HN 2.511 nan 8.290 nan 0.000 0.519 416 G N -2.475 106.351 108.800 0.042 0.000 2.184 416 G HA2 -0.195 3.765 3.960 0.001 0.000 0.264 416 G HA3 -0.195 3.765 3.960 0.001 0.000 0.264 416 G C 1.437 176.362 174.900 0.042 0.000 0.975 416 G CA 1.433 46.556 45.100 0.039 0.000 0.642 416 G HN 1.650 nan 8.290 nan 0.000 0.536 417 V N 0.638 120.582 119.914 0.051 0.000 2.626 417 V HA 0.120 4.240 4.120 0.001 0.000 0.252 417 V C 3.042 179.165 176.094 0.048 0.000 1.067 417 V CA 2.709 65.044 62.300 0.058 0.000 1.081 417 V CB -0.568 31.302 31.823 0.079 0.000 0.686 417 V HN 1.138 nan 8.190 nan 0.000 0.468 418 A N -0.225 122.619 122.820 0.040 0.000 1.948 418 A HA -0.255 4.065 4.320 0.001 0.000 0.220 418 A C 2.129 179.729 177.584 0.026 0.000 1.177 418 A CA 2.335 54.391 52.037 0.032 0.000 0.636 418 A CB -0.686 18.330 19.000 0.027 0.000 0.815 418 A HN 0.547 nan 8.150 nan 0.000 0.449 419 L N 0.052 121.290 121.223 0.026 0.000 1.989 419 L HA -0.149 4.192 4.340 0.001 0.000 0.211 419 L C 2.309 179.191 176.870 0.021 0.000 1.071 419 L CA 1.954 56.807 54.840 0.021 0.000 0.749 419 L CB -0.436 41.636 42.059 0.021 0.000 0.890 419 L HN 0.469 nan 8.230 nan 0.000 0.431 420 I N -0.743 119.843 120.570 0.027 0.000 2.208 420 I HA -0.290 3.880 4.170 0.001 0.000 0.245 420 I C 2.249 178.380 176.117 0.024 0.000 1.097 420 I CA 0.890 62.206 61.300 0.027 0.000 1.363 420 I CB -0.494 37.527 38.000 0.036 0.000 1.051 420 I HN 0.254 nan 8.210 nan 0.000 0.413 421 R N 0.597 121.113 120.500 0.028 0.000 2.285 421 R HA -0.049 4.291 4.340 0.001 0.000 0.213 421 R C 1.917 178.226 176.300 0.016 0.000 1.068 421 R CA 1.161 57.275 56.100 0.024 0.000 1.004 421 R CB -0.660 29.658 30.300 0.031 0.000 0.873 421 R HN 0.493 nan 8.270 nan 0.000 0.467 422 V N -3.863 116.059 119.914 0.014 0.000 3.644 422 V HA 0.343 4.464 4.120 0.001 0.000 0.267 422 V C 2.039 178.137 176.094 0.007 0.000 1.277 422 V CA 0.704 63.010 62.300 0.009 0.000 1.096 422 V CB 0.086 31.913 31.823 0.008 0.000 0.828 422 V HN 0.032 nan 8.190 nan 0.000 0.446 423 A N 2.423 125.248 122.820 0.009 0.000 1.902 423 A HA -0.152 4.168 4.320 0.001 0.000 0.217 423 A C 2.547 180.133 177.584 0.004 0.000 1.181 423 A CA 2.565 54.606 52.037 0.007 0.000 0.623 423 A CB -1.028 17.977 19.000 0.009 0.000 0.818 423 A HN 0.924 nan 8.150 nan 0.000 0.443 424 S N 0.341 116.043 115.700 0.004 0.000 2.382 424 S HA -0.187 4.283 4.470 0.001 0.000 0.228 424 S C 1.657 176.257 174.600 0.000 0.000 1.027 424 S CA 1.469 59.670 58.200 0.001 0.000 0.991 424 S CB -0.466 62.734 63.200 -0.000 0.000 0.823 424 S HN 0.627 nan 8.310 nan 0.000 0.469 425 K N 0.968 121.369 120.400 0.002 0.000 2.442 425 K HA 0.147 4.467 4.320 0.001 0.000 0.198 425 K C 1.066 177.667 176.600 0.000 0.000 1.044 425 K CA 0.683 56.971 56.287 0.001 0.000 0.948 425 K CB -0.350 32.151 32.500 0.002 0.000 0.762 425 K HN 0.455 nan 8.250 nan 0.000 0.472 426 L N -0.378 120.845 121.223 0.000 0.000 2.769 426 L HA 0.212 4.552 4.340 0.001 0.000 0.240 426 L C 1.941 178.811 176.870 -0.000 0.000 1.163 426 L CA -0.267 54.573 54.840 0.000 0.000 0.962 426 L CB 0.041 42.100 42.059 0.000 0.000 1.258 426 L HN 0.041 nan 8.230 nan 0.000 0.513 427 A N 0.587 123.406 122.820 -0.001 0.000 1.917 427 A HA -0.236 4.084 4.320 0.001 0.000 0.219 427 A C 1.813 179.396 177.584 -0.002 0.000 1.182 427 A CA 2.080 54.117 52.037 -0.002 0.000 0.633 427 A CB -0.254 18.744 19.000 -0.003 0.000 0.819 427 A HN 0.398 nan 8.150 nan 0.000 0.448 428 D N -1.218 119.181 120.400 -0.002 0.000 2.348 428 D HA 0.095 4.735 4.640 0.001 0.000 0.211 428 D C 0.397 176.696 176.300 -0.001 0.000 0.998 428 D CA -0.130 53.869 54.000 -0.002 0.000 0.873 428 D CB -0.096 40.703 40.800 -0.002 0.000 0.925 428 D HN 0.346 nan 8.370 nan 0.000 0.524 429 L N 2.211 123.434 121.223 -0.001 0.000 2.540 429 L HA -0.009 4.331 4.340 0.001 0.000 0.276 429 L C 0.199 177.069 176.870 -0.000 0.000 1.212 429 L CA 0.632 55.471 54.840 -0.001 0.000 0.893 429 L CB 0.230 42.288 42.059 -0.001 0.000 1.138 429 L HN -0.237 nan 8.230 nan 0.000 0.491 430 R N 3.168 123.667 120.500 -0.000 0.000 2.919 430 R HA 0.754 5.094 4.340 0.001 0.000 0.260 430 R C -0.002 176.298 176.300 0.000 0.000 1.067 430 R CA -0.329 55.772 56.100 0.000 0.000 1.003 430 R CB 1.216 31.516 30.300 -0.000 0.000 1.192 430 R HN 0.795 nan 8.270 nan 0.000 0.488 431 G N -0.530 108.270 108.800 0.001 0.000 3.122 431 G HA2 0.181 4.142 3.960 0.001 0.000 0.180 431 G HA3 0.181 4.142 3.960 0.001 0.000 0.180 431 G C -0.033 174.867 174.900 0.001 0.000 1.279 431 G CA -0.276 44.825 45.100 0.001 0.000 0.987 431 G HN 0.396 nan 8.290 nan 0.000 0.589 432 Q N -0.169 119.631 119.800 0.001 0.000 2.435 432 Q HA 0.114 4.455 4.340 0.001 0.000 0.207 432 Q C -0.074 175.927 176.000 0.002 0.000 0.956 432 Q CA 0.894 56.698 55.803 0.001 0.000 0.917 432 Q CB 0.001 28.740 28.738 0.002 0.000 0.997 432 Q HN 0.591 nan 8.270 nan 0.000 0.497 433 N N -2.690 116.011 118.700 0.002 0.000 3.355 433 N HA 0.007 4.747 4.740 0.001 0.000 0.238 433 N C -0.443 175.069 175.510 0.002 0.000 1.466 433 N CA -0.507 52.544 53.050 0.002 0.000 0.882 433 N CB 0.403 38.892 38.487 0.002 0.000 1.406 433 N HN -0.304 nan 8.380 nan 0.000 0.500 434 E N -0.342 119.859 120.200 0.002 0.000 2.152 434 E HA -0.004 4.347 4.350 0.001 0.000 0.192 434 E C 0.134 176.736 176.600 0.003 0.000 0.983 434 E CA 1.296 57.697 56.400 0.002 0.000 0.818 434 E CB -0.262 29.439 29.700 0.002 0.000 0.758 434 E HN 0.671 nan 8.360 nan 0.000 0.467 435 D N -0.222 120.180 120.400 0.004 0.000 2.144 435 D HA -0.164 4.477 4.640 0.001 0.000 0.199 435 D C 1.728 178.031 176.300 0.005 0.000 0.984 435 D CA 1.014 55.017 54.000 0.005 0.000 0.834 435 D CB -0.007 40.797 40.800 0.005 0.000 0.955 435 D HN 0.236 nan 8.370 nan 0.000 0.465 436 Q N -0.077 119.725 119.800 0.004 0.000 2.123 436 Q HA -0.071 4.270 4.340 0.001 0.000 0.199 436 Q C 1.630 177.632 176.000 0.003 0.000 0.966 436 Q CA 0.700 56.505 55.803 0.004 0.000 0.845 436 Q CB 0.055 28.795 28.738 0.003 0.000 0.907 436 Q HN 0.283 nan 8.270 nan 0.000 0.439 437 N N 0.135 118.836 118.700 0.002 0.000 2.120 437 N HA -0.124 4.616 4.740 0.001 0.000 0.188 437 N C 1.858 177.369 175.510 0.002 0.000 1.024 437 N CA 1.006 54.058 53.050 0.002 0.000 0.852 437 N CB -0.391 38.096 38.487 0.001 0.000 1.003 437 N HN 0.041 nan 8.380 nan 0.000 0.424 438 V N 0.936 120.851 119.914 0.003 0.000 2.343 438 V HA -0.151 3.970 4.120 0.001 0.000 0.247 438 V C 2.446 178.543 176.094 0.005 0.000 1.051 438 V CA 2.056 64.358 62.300 0.004 0.000 1.036 438 V CB -1.267 30.559 31.823 0.004 0.000 0.654 438 V HN 0.357 nan 8.190 nan 0.000 0.451 439 G N -0.182 108.621 108.800 0.005 0.000 2.418 439 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 439 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 439 G C 1.574 176.477 174.900 0.005 0.000 1.158 439 G CA 1.069 46.172 45.100 0.006 0.000 0.771 439 G HN 0.485 nan 8.290 nan 0.000 0.545 440 I N 0.196 120.768 120.570 0.003 0.000 2.127 440 I HA -0.153 4.017 4.170 0.001 0.000 0.241 440 I C 2.707 178.826 176.117 0.003 0.000 1.075 440 I CA 1.280 62.581 61.300 0.003 0.000 1.334 440 I CB -0.082 37.919 38.000 0.002 0.000 1.040 440 I HN -0.008 nan 8.210 nan 0.000 0.405 441 K N 0.393 120.795 120.400 0.003 0.000 2.211 441 K HA -0.042 4.278 4.320 0.001 0.000 0.203 441 K C 1.900 178.503 176.600 0.004 0.000 1.050 441 K CA 0.672 56.961 56.287 0.003 0.000 0.945 441 K CB -0.618 31.883 32.500 0.002 0.000 0.732 441 K HN 0.116 nan 8.250 nan 0.000 0.451 442 V N 0.824 120.742 119.914 0.005 0.000 2.332 442 V HA -0.296 3.825 4.120 0.001 0.000 0.248 442 V C 2.165 178.263 176.094 0.008 0.000 1.055 442 V CA 2.109 64.414 62.300 0.007 0.000 1.038 442 V CB -0.693 31.135 31.823 0.008 0.000 0.651 442 V HN 0.357 nan 8.190 nan 0.000 0.450 443 A N -0.365 122.459 122.820 0.007 0.000 1.877 443 A HA -0.139 4.182 4.320 0.001 0.000 0.216 443 A C 2.174 179.763 177.584 0.007 0.000 1.186 443 A CA 1.767 53.809 52.037 0.007 0.000 0.620 443 A CB -0.498 18.506 19.000 0.005 0.000 0.822 443 A HN 0.510 nan 8.150 nan 0.000 0.443 444 L N -1.159 120.067 121.223 0.006 0.000 2.017 444 L HA -0.173 4.168 4.340 0.001 0.000 0.208 444 L C 2.774 179.648 176.870 0.007 0.000 1.073 444 L CA 1.794 56.638 54.840 0.006 0.000 0.745 444 L CB -0.609 41.452 42.059 0.004 0.000 0.894 444 L HN 0.429 nan 8.230 nan 0.000 0.432 445 R N 0.539 121.042 120.500 0.006 0.000 2.159 445 R HA -0.168 4.172 4.340 0.001 0.000 0.237 445 R C 2.126 178.431 176.300 0.008 0.000 1.131 445 R CA 1.307 57.411 56.100 0.006 0.000 0.982 445 R CB -0.125 30.178 30.300 0.005 0.000 0.868 445 R HN 0.380 nan 8.270 nan 0.000 0.453 446 A N 0.077 122.903 122.820 0.010 0.000 2.119 446 A HA -0.015 4.305 4.320 0.001 0.000 0.216 446 A C 1.883 179.475 177.584 0.014 0.000 1.152 446 A CA 0.503 52.547 52.037 0.012 0.000 0.708 446 A CB -0.163 18.845 19.000 0.013 0.000 0.805 446 A HN 0.299 nan 8.150 nan 0.000 0.460 447 M N -0.425 119.183 119.600 0.013 0.000 2.630 447 M HA -0.076 4.405 4.480 0.001 0.000 0.254 447 M C 1.268 177.580 176.300 0.019 0.000 1.092 447 M CA 0.805 56.115 55.300 0.016 0.000 1.087 447 M CB -0.246 32.362 32.600 0.014 0.000 1.453 447 M HN 0.453 nan 8.290 nan 0.000 0.509 448 E N 0.531 120.741 120.200 0.017 0.000 2.427 448 E HA -0.057 4.293 4.350 0.001 0.000 0.196 448 E C 2.076 178.687 176.600 0.019 0.000 1.028 448 E CA 0.566 56.977 56.400 0.019 0.000 0.864 448 E CB 0.024 29.732 29.700 0.014 0.000 0.813 448 E HN 0.510 nan 8.360 nan 0.000 0.514 449 A N 2.312 125.143 122.820 0.018 0.000 1.892 449 A HA -0.153 4.167 4.320 0.001 0.000 0.218 449 A C -0.321 177.275 177.584 0.020 0.000 1.188 449 A CA 1.291 53.338 52.037 0.017 0.000 0.631 449 A CB -1.412 17.598 19.000 0.017 0.000 0.822 449 A HN 0.150 nan 8.150 nan 0.000 0.447 450 P HA -0.172 nan 4.420 nan 0.000 0.214 450 P C 1.838 179.154 177.300 0.028 0.000 1.163 450 P CA 0.893 64.010 63.100 0.027 0.000 0.889 450 P CB -0.155 31.564 31.700 0.031 0.000 0.790 451 L N -0.136 121.106 121.223 0.031 0.000 2.017 451 L HA -0.152 4.188 4.340 0.001 0.000 0.208 451 L C 2.208 179.087 176.870 0.015 0.000 1.073 451 L CA 2.096 56.956 54.840 0.032 0.000 0.745 451 L CB -0.952 41.133 42.059 0.043 0.000 0.894 451 L HN -0.041 nan 8.230 nan 0.000 0.432 452 R N -0.715 119.791 120.500 0.010 0.000 2.096 452 R HA -0.162 4.178 4.340 0.001 0.000 0.235 452 R C 2.075 178.375 176.300 0.000 0.000 1.127 452 R CA 1.228 57.328 56.100 -0.001 0.000 0.968 452 R CB -0.123 30.178 30.300 0.002 0.000 0.861 452 R HN 0.530 nan 8.270 nan 0.000 0.440 453 Q N 0.339 120.144 119.800 0.008 0.000 2.245 453 Q HA -0.007 4.333 4.340 0.001 0.000 0.201 453 Q C 2.137 178.144 176.000 0.012 0.000 0.955 453 Q CA 0.882 56.691 55.803 0.009 0.000 0.870 453 Q CB 0.011 28.757 28.738 0.013 0.000 0.945 453 Q HN 0.425 nan 8.270 nan 0.000 0.461 454 I N -0.009 120.571 120.570 0.017 0.000 2.179 454 I HA -0.239 3.931 4.170 0.001 0.000 0.242 454 I C 2.144 178.270 176.117 0.015 0.000 1.088 454 I CA 0.901 62.216 61.300 0.024 0.000 1.357 454 I CB -0.257 37.767 38.000 0.040 0.000 1.051 454 I HN -0.044 nan 8.210 nan 0.000 0.409 455 V N 0.596 120.506 119.914 -0.008 0.000 2.515 455 V HA -0.242 3.879 4.120 0.001 0.000 0.250 455 V C 2.325 178.404 176.094 -0.024 0.000 1.058 455 V CA 1.288 63.563 62.300 -0.042 0.000 1.064 455 V CB -0.465 31.302 31.823 -0.093 0.000 0.675 455 V HN 0.357 nan 8.190 nan 0.000 0.461 456 L N 0.603 121.819 121.223 -0.011 0.000 2.083 456 L HA -0.136 4.204 4.340 0.001 0.000 0.209 456 L C 2.184 179.055 176.870 0.002 0.000 1.083 456 L CA 1.903 56.740 54.840 -0.005 0.000 0.752 456 L CB -0.892 41.166 42.059 -0.001 0.000 0.899 456 L HN 0.326 nan 8.230 nan 0.000 0.433 457 N N -0.980 117.725 118.700 0.008 0.000 2.120 457 N HA -0.202 4.539 4.740 0.001 0.000 0.188 457 N C 1.828 177.349 175.510 0.017 0.000 1.024 457 N CA 1.853 54.911 53.050 0.013 0.000 0.852 457 N CB -0.312 38.186 38.487 0.018 0.000 1.003 457 N HN 0.454 nan 8.380 nan 0.000 0.424 458 C N -0.370 118.944 119.300 0.023 0.000 2.413 458 C HA -0.036 4.424 4.460 0.001 0.000 0.276 458 C C 2.037 177.041 174.990 0.023 0.000 1.236 458 C CA 1.119 60.158 59.018 0.036 0.000 1.735 458 C CB -1.168 26.604 27.740 0.053 0.000 2.031 458 C HN 0.736 nan 8.230 nan 0.000 0.474 459 G N -0.220 108.583 108.800 0.006 0.000 2.194 459 G HA2 -0.191 3.770 3.960 0.001 0.000 0.236 459 G HA3 -0.191 3.770 3.960 0.001 0.000 0.236 459 G C -0.082 174.815 174.900 -0.005 0.000 0.987 459 G CA 0.467 45.569 45.100 0.002 0.000 0.635 459 G HN 0.515 nan 8.290 nan 0.000 0.520 460 E N 0.869 121.060 120.200 -0.016 0.000 2.605 460 E HA 0.467 4.817 4.350 0.001 0.000 0.255 460 E C 0.614 177.182 176.600 -0.054 0.000 1.369 460 E CA -0.247 56.131 56.400 -0.038 0.000 1.017 460 E CB 0.291 29.947 29.700 -0.073 0.000 1.086 460 E HN 0.252 nan 8.360 nan 0.000 0.605 461 E N 1.566 121.732 120.200 -0.056 0.000 2.104 461 E HA 0.030 4.380 4.350 0.001 0.000 0.278 461 E C -1.768 174.800 176.600 -0.054 0.000 1.127 461 E CA -1.399 54.977 56.400 -0.039 0.000 0.897 461 E CB 0.622 30.312 29.700 -0.018 0.000 1.043 461 E HN 0.257 nan 8.360 nan 0.000 0.410 462 P HA -0.147 nan 4.420 nan 0.000 0.222 462 P C 1.346 178.632 177.300 -0.024 0.000 1.147 462 P CA 0.937 64.015 63.100 -0.037 0.000 0.790 462 P CB 0.338 32.024 31.700 -0.022 0.000 0.780 463 S N -0.963 114.727 115.700 -0.016 0.000 2.325 463 S HA -0.101 4.369 4.470 0.001 0.000 0.213 463 S C 2.013 176.610 174.600 -0.006 0.000 1.031 463 S CA 1.321 59.516 58.200 -0.009 0.000 0.984 463 S CB -1.696 61.501 63.200 -0.006 0.000 0.939 463 S HN -0.054 nan 8.310 nan 0.000 0.438 464 V N 2.138 122.051 119.914 -0.002 0.000 2.287 464 V HA -0.127 3.993 4.120 0.001 0.000 0.248 464 V C 2.664 178.779 176.094 0.036 0.000 1.053 464 V CA 1.739 64.049 62.300 0.016 0.000 1.027 464 V CB -0.897 30.944 31.823 0.030 0.000 0.646 464 V HN 0.466 nan 8.190 nan 0.000 0.447 465 V N 0.054 119.967 119.914 -0.001 0.000 2.809 465 V HA -0.112 4.008 4.120 0.001 0.000 0.256 465 V C 2.510 178.625 176.094 0.034 0.000 1.080 465 V CA 1.534 63.825 62.300 -0.015 0.000 1.102 465 V CB -0.849 30.780 31.823 -0.323 0.000 0.705 465 V HN 0.536 nan 8.190 nan 0.000 0.475 466 A N 0.214 123.041 122.820 0.011 0.000 1.874 466 A HA -0.141 4.180 4.320 0.001 0.000 0.214 466 A C 2.172 179.777 177.584 0.034 0.000 1.189 466 A CA 1.526 53.581 52.037 0.030 0.000 0.615 466 A CB -0.568 18.438 19.000 0.010 0.000 0.830 466 A HN 0.486 nan 8.150 nan 0.000 0.443 467 N N 0.088 118.795 118.700 0.011 0.000 2.331 467 N HA -0.126 4.615 4.740 0.001 0.000 0.180 467 N C 1.882 177.369 175.510 -0.039 0.000 1.019 467 N CA 1.965 55.008 53.050 -0.011 0.000 0.881 467 N CB -0.272 38.205 38.487 -0.017 0.000 0.972 467 N HN 0.617 nan 8.380 nan 0.000 0.435 468 T N -1.381 113.146 114.554 -0.045 0.000 2.652 468 T HA -0.104 4.247 4.350 0.001 0.000 0.267 468 T C 2.108 176.787 174.700 -0.035 0.000 1.039 468 T CA 1.574 63.593 62.100 -0.136 0.000 1.153 468 T CB -0.894 67.762 68.868 -0.353 0.000 0.863 468 T HN -0.076 nan 8.240 nan 0.000 0.428 469 V N 1.855 121.858 119.914 0.149 0.000 2.626 469 V HA -0.108 4.013 4.120 0.001 0.000 0.252 469 V C 2.752 178.900 176.094 0.090 0.000 1.067 469 V CA 1.566 64.019 62.300 0.255 0.000 1.081 469 V CB -0.670 31.312 31.823 0.266 0.000 0.686 469 V HN 0.524 nan 8.190 nan 0.000 0.468 470 K N 0.436 120.848 120.400 0.021 0.000 2.025 470 K HA -0.079 4.241 4.320 0.001 0.000 0.207 470 K C 2.216 178.771 176.600 -0.075 0.000 1.049 470 K CA 1.538 57.815 56.287 -0.017 0.000 0.933 470 K CB -0.542 31.949 32.500 -0.016 0.000 0.714 470 K HN 0.539 nan 8.250 nan 0.000 0.438 471 G N 0.792 109.514 108.800 -0.131 0.000 2.511 471 G HA2 -0.033 3.927 3.960 0.001 0.000 0.217 471 G HA3 -0.033 3.927 3.960 0.001 0.000 0.217 471 G C 0.568 175.285 174.900 -0.306 0.000 1.133 471 G CA 0.253 45.245 45.100 -0.182 0.000 0.792 471 G HN 0.305 nan 8.290 nan 0.000 0.539 472 G N 0.385 108.874 108.800 -0.518 0.000 2.339 472 G HA2 0.456 4.417 3.960 0.001 0.000 0.287 472 G HA3 0.456 4.417 3.960 0.001 0.000 0.287 472 G C -1.107 173.596 174.900 -0.329 0.000 1.163 472 G CA -0.388 44.207 45.100 -0.841 0.000 0.872 472 G HN 0.148 nan 8.290 nan 0.000 0.464 473 D N 0.846 121.129 120.400 -0.194 0.000 2.329 473 D HA 0.507 5.148 4.640 0.001 0.000 0.246 473 D C 1.333 177.651 176.300 0.031 0.000 1.111 473 D CA 1.137 55.104 54.000 -0.056 0.000 0.941 473 D CB 1.215 41.986 40.800 -0.049 0.000 1.169 473 D HN 0.717 nan 8.370 nan 0.000 0.441 474 G N 1.521 110.348 108.800 0.044 0.000 2.565 474 G HA2 -0.434 3.527 3.960 0.001 0.000 0.295 474 G HA3 -0.434 3.527 3.960 0.001 0.000 0.295 474 G C 0.967 175.926 174.900 0.097 0.000 1.165 474 G CA 0.537 45.673 45.100 0.061 0.000 0.977 474 G HN 0.561 nan 8.290 nan 0.000 0.546 475 N N -0.130 118.632 118.700 0.103 0.000 2.512 475 N HA 0.111 4.851 4.740 0.001 0.000 0.183 475 N C 0.817 176.415 175.510 0.147 0.000 1.073 475 N CA 0.754 53.865 53.050 0.101 0.000 0.911 475 N CB -0.097 38.434 38.487 0.074 0.000 0.964 475 N HN 0.531 nan 8.380 nan 0.000 0.447 476 Y N 0.694 121.022 120.300 0.047 0.000 2.717 476 Y HA 0.279 4.830 4.550 0.001 0.000 0.330 476 Y C 0.841 176.806 175.900 0.109 0.000 1.217 476 Y CA 0.340 58.484 58.100 0.073 0.000 1.506 476 Y CB 0.053 38.539 38.460 0.044 0.000 1.268 476 Y HN 0.006 nan 8.280 nan 0.000 0.561 477 G N 4.143 112.863 108.800 -0.133 0.000 2.608 477 G HA2 0.203 4.163 3.960 0.001 0.000 0.291 477 G HA3 0.203 4.163 3.960 0.001 0.000 0.291 477 G C -2.401 172.510 174.900 0.017 0.000 1.425 477 G CA -1.083 44.036 45.100 0.031 0.000 0.787 477 G HN 0.599 nan 8.290 nan 0.000 0.484 478 Y N 1.780 122.076 120.300 -0.008 0.000 2.436 478 Y HA 0.418 4.969 4.550 0.001 0.000 0.336 478 Y C 0.427 176.179 175.900 -0.246 0.000 1.049 478 Y CA -1.041 56.923 58.100 -0.227 0.000 1.294 478 Y CB 0.864 39.258 38.460 -0.111 0.000 1.179 478 Y HN 0.410 nan 8.280 nan 0.000 0.520 479 N N 5.117 123.321 118.700 -0.826 0.000 2.402 479 N HA 0.146 4.886 4.740 0.001 0.000 0.252 479 N C 0.357 175.146 175.510 -1.201 0.000 1.118 479 N CA 0.566 53.161 53.050 -0.758 0.000 0.945 479 N CB 1.130 39.337 38.487 -0.467 0.000 1.147 479 N HN 0.876 nan 8.380 nan 0.000 0.495 480 A N 3.357 125.593 122.820 -0.974 0.000 2.119 480 A HA 0.079 4.400 4.320 0.001 0.000 0.217 480 A C 1.813 179.197 177.584 -0.334 0.000 1.153 480 A CA 1.379 52.993 52.037 -0.706 0.000 0.692 480 A CB -0.150 18.689 19.000 -0.269 0.000 0.799 480 A HN 0.692 nan 8.150 nan 0.000 0.458 481 A N -0.724 121.925 122.820 -0.286 0.000 1.956 481 A HA 0.108 4.428 4.320 0.001 0.000 0.212 481 A C 2.174 179.676 177.584 -0.138 0.000 1.188 481 A CA 1.800 53.739 52.037 -0.163 0.000 0.675 481 A CB -0.524 18.394 19.000 -0.136 0.000 0.845 481 A HN 0.579 nan 8.150 nan 0.000 0.455 482 T N -2.849 111.602 114.554 -0.172 0.000 3.022 482 T HA 0.262 4.612 4.350 0.001 0.000 0.250 482 T C -0.016 174.609 174.700 -0.126 0.000 1.060 482 T CA 0.498 62.523 62.100 -0.125 0.000 1.013 482 T CB -0.142 68.658 68.868 -0.113 0.000 0.982 482 T HN 0.507 nan 8.240 nan 0.000 0.508 483 E N 1.925 122.002 120.200 -0.204 0.000 2.346 483 E HA -0.137 4.213 4.350 0.001 0.000 0.200 483 E C -0.145 176.385 176.600 -0.117 0.000 1.331 483 E CA 0.621 56.952 56.400 -0.115 0.000 0.668 483 E CB -1.570 28.144 29.700 0.024 0.000 1.157 483 E HN 0.958 nan 8.360 nan 0.000 0.393 484 E N -0.812 119.189 120.200 -0.330 0.000 2.090 484 E HA 0.598 4.948 4.350 0.001 0.000 0.221 484 E C -1.167 174.976 176.600 -0.762 0.000 1.323 484 E CA -0.940 55.258 56.400 -0.337 0.000 0.934 484 E CB 1.065 30.691 29.700 -0.123 0.000 1.828 484 E HN 0.058 nan 8.360 nan 0.000 0.519 485 Y N -1.187 119.048 120.300 -0.108 0.000 2.581 485 Y HA 0.773 5.323 4.550 0.001 0.000 0.345 485 Y C 0.356 176.089 175.900 -0.279 0.000 1.036 485 Y CA -0.025 57.902 58.100 -0.288 0.000 1.042 485 Y CB 2.799 40.953 38.460 -0.510 0.000 1.289 485 Y HN 0.922 nan 8.280 nan 0.000 0.471 486 G N 0.530 109.209 108.800 -0.202 0.000 2.427 486 G HA2 0.164 4.124 3.960 0.001 0.000 0.306 486 G HA3 0.164 4.124 3.960 0.001 0.000 0.306 486 G C -1.903 172.945 174.900 -0.088 0.000 1.280 486 G CA -1.171 43.862 45.100 -0.111 0.000 0.837 486 G HN 0.480 nan 8.290 nan 0.000 0.482 487 N N 1.014 119.697 118.700 -0.028 0.000 2.416 487 N HA 0.106 4.847 4.740 0.001 0.000 0.265 487 N C 1.833 177.333 175.510 -0.017 0.000 1.195 487 N CA -0.271 52.779 53.050 -0.001 0.000 0.943 487 N CB 0.552 39.045 38.487 0.011 0.000 1.115 487 N HN 0.357 nan 8.380 nan 0.000 0.481 488 M N 3.277 122.874 119.600 -0.004 0.000 2.195 488 M HA -0.196 4.284 4.480 0.001 0.000 0.260 488 M C 1.158 177.454 176.300 -0.006 0.000 1.066 488 M CA 1.188 56.484 55.300 -0.005 0.000 1.089 488 M CB -0.551 32.062 32.600 0.021 0.000 1.377 488 M HN 0.584 nan 8.290 nan 0.000 0.411 489 I N -0.102 120.469 120.570 0.002 0.000 2.277 489 I HA -0.205 3.966 4.170 0.001 0.000 0.243 489 I C 1.914 178.027 176.117 -0.007 0.000 1.094 489 I CA 1.237 62.538 61.300 0.001 0.000 1.393 489 I CB -1.600 36.405 38.000 0.008 0.000 1.078 489 I HN 0.215 nan 8.210 nan 0.000 0.417 490 D N 0.725 121.119 120.400 -0.010 0.000 2.178 490 D HA -0.117 4.523 4.640 0.001 0.000 0.202 490 D C 2.260 178.544 176.300 -0.026 0.000 0.974 490 D CA 1.020 55.011 54.000 -0.015 0.000 0.841 490 D CB -0.076 40.716 40.800 -0.013 0.000 0.953 490 D HN 0.317 nan 8.370 nan 0.000 0.478 491 M N -0.590 118.988 119.600 -0.036 0.000 2.630 491 M HA 0.056 4.536 4.480 0.001 0.000 0.254 491 M C 1.008 177.282 176.300 -0.043 0.000 1.092 491 M CA 0.766 56.034 55.300 -0.052 0.000 1.087 491 M CB 0.246 32.800 32.600 -0.077 0.000 1.453 491 M HN 0.062 nan 8.290 nan 0.000 0.509 492 G N 2.130 110.913 108.800 -0.028 0.000 2.171 492 G HA2 -0.226 3.735 3.960 0.001 0.000 0.238 492 G HA3 -0.226 3.735 3.960 0.001 0.000 0.238 492 G C -0.056 174.834 174.900 -0.017 0.000 1.039 492 G CA -0.332 44.755 45.100 -0.021 0.000 0.759 492 G HN 0.542 nan 8.290 nan 0.000 0.501 493 I N 0.827 121.388 120.570 -0.014 0.000 2.557 493 I HA 0.413 4.583 4.170 0.001 0.000 0.277 493 I C 0.620 176.741 176.117 0.006 0.000 1.106 493 I CA -0.601 60.695 61.300 -0.006 0.000 1.180 493 I CB 0.502 38.495 38.000 -0.011 0.000 1.392 493 I HN -0.017 nan 8.210 nan 0.000 0.506 494 L N 3.379 124.606 121.223 0.007 0.000 2.375 494 L HA 0.478 4.819 4.340 0.001 0.000 0.268 494 L C -0.398 176.481 176.870 0.016 0.000 1.058 494 L CA -0.550 54.297 54.840 0.012 0.000 0.803 494 L CB 1.318 43.383 42.059 0.009 0.000 1.212 494 L HN 0.336 nan 8.230 nan 0.000 0.451 495 D N 1.868 122.280 120.400 0.019 0.000 2.256 495 D HA 0.288 4.929 4.640 0.001 0.000 0.240 495 D C -2.414 173.897 176.300 0.018 0.000 1.062 495 D CA -1.217 52.795 54.000 0.021 0.000 0.832 495 D CB 1.539 42.353 40.800 0.024 0.000 1.135 495 D HN 0.114 nan 8.370 nan 0.000 0.484 496 P HA 0.080 nan 4.420 nan 0.000 0.277 496 P C 0.631 177.943 177.300 0.019 0.000 1.354 496 P CA -0.257 62.853 63.100 0.018 0.000 0.891 496 P CB 0.845 32.556 31.700 0.018 0.000 1.058 497 T N 2.667 117.230 114.554 0.016 0.000 2.649 497 T HA -0.252 4.098 4.350 0.001 0.000 0.268 497 T C 1.649 176.357 174.700 0.013 0.000 1.036 497 T CA 1.730 63.838 62.100 0.014 0.000 1.157 497 T CB -0.342 68.533 68.868 0.010 0.000 0.861 497 T HN 0.429 nan 8.240 nan 0.000 0.445 498 K N 0.570 120.979 120.400 0.015 0.000 2.103 498 K HA -0.118 4.202 4.320 0.001 0.000 0.207 498 K C 2.431 179.046 176.600 0.024 0.000 1.048 498 K CA 1.492 57.789 56.287 0.016 0.000 0.930 498 K CB -0.269 32.243 32.500 0.021 0.000 0.716 498 K HN 0.427 nan 8.250 nan 0.000 0.444 499 V N -1.794 118.139 119.914 0.033 0.000 2.407 499 V HA -0.135 3.985 4.120 0.001 0.000 0.245 499 V C 1.795 177.916 176.094 0.045 0.000 1.041 499 V CA 2.041 64.369 62.300 0.047 0.000 1.040 499 V CB -0.801 31.049 31.823 0.046 0.000 0.671 499 V HN 0.183 nan 8.190 nan 0.000 0.455 500 T N 0.387 114.960 114.554 0.032 0.000 2.777 500 T HA -0.111 4.239 4.350 0.001 0.000 0.266 500 T C 2.101 176.809 174.700 0.014 0.000 1.040 500 T CA 1.743 63.859 62.100 0.028 0.000 1.141 500 T CB -0.451 68.432 68.868 0.024 0.000 0.868 500 T HN 0.416 nan 8.240 nan 0.000 0.444 501 R N 1.373 121.874 120.500 0.002 0.000 2.083 501 R HA -0.079 4.261 4.340 0.001 0.000 0.237 501 R C 2.481 178.748 176.300 -0.055 0.000 1.137 501 R CA 1.837 57.923 56.100 -0.022 0.000 0.951 501 R CB -0.825 29.462 30.300 -0.021 0.000 0.851 501 R HN 0.346 nan 8.270 nan 0.000 0.434 502 S N 0.570 116.245 115.700 -0.041 0.000 2.355 502 S HA -0.077 4.394 4.470 0.001 0.000 0.222 502 S C 2.079 176.658 174.600 -0.036 0.000 1.031 502 S CA 1.171 59.315 58.200 -0.094 0.000 0.993 502 S CB -0.324 62.907 63.200 0.052 0.000 0.859 502 S HN 0.549 nan 8.310 nan 0.000 0.453 503 A N 2.086 124.960 122.820 0.090 0.000 1.908 503 A HA -0.043 4.277 4.320 0.001 0.000 0.218 503 A C 2.091 179.721 177.584 0.077 0.000 1.181 503 A CA 1.163 53.283 52.037 0.137 0.000 0.627 503 A CB -0.769 18.289 19.000 0.097 0.000 0.818 503 A HN 0.433 nan 8.150 nan 0.000 0.445 504 L N -0.191 121.043 121.223 0.019 0.000 2.017 504 L HA -0.222 4.118 4.340 0.001 0.000 0.208 504 L C 2.407 179.259 176.870 -0.030 0.000 1.073 504 L CA 2.457 57.297 54.840 0.000 0.000 0.745 504 L CB -1.257 40.797 42.059 -0.009 0.000 0.894 504 L HN 0.544 nan 8.230 nan 0.000 0.432 505 Q N -1.246 118.488 119.800 -0.110 0.000 2.050 505 Q HA -0.236 4.104 4.340 0.001 0.000 0.202 505 Q C 2.106 178.017 176.000 -0.148 0.000 0.980 505 Q CA 1.923 57.618 55.803 -0.179 0.000 0.840 505 Q CB -0.272 28.276 28.738 -0.316 0.000 0.898 505 Q HN 0.502 nan 8.270 nan 0.000 0.424 506 Y N 0.327 120.631 120.300 0.008 0.000 2.145 506 Y HA -0.215 4.335 4.550 0.001 0.000 0.286 506 Y C 2.435 178.339 175.900 0.008 0.000 1.145 506 Y CA 0.973 59.077 58.100 0.007 0.000 1.148 506 Y CB -0.946 37.518 38.460 0.007 0.000 0.981 506 Y HN 0.138 nan 8.280 nan 0.000 0.507 507 A N 0.143 123.055 122.820 0.153 0.000 1.865 507 A HA -0.179 4.141 4.320 0.001 0.000 0.217 507 A C 2.485 180.104 177.584 0.059 0.000 1.191 507 A CA 2.364 54.454 52.037 0.089 0.000 0.623 507 A CB -1.329 17.711 19.000 0.067 0.000 0.826 507 A HN 0.407 nan 8.150 nan 0.000 0.444 508 A N -1.275 121.567 122.820 0.038 0.000 1.929 508 A HA -0.020 4.300 4.320 0.001 0.000 0.216 508 A C 2.458 180.058 177.584 0.025 0.000 1.176 508 A CA 2.023 54.073 52.037 0.022 0.000 0.628 508 A CB -0.852 18.151 19.000 0.005 0.000 0.816 508 A HN 0.549 nan 8.150 nan 0.000 0.444 509 S N -0.527 115.192 115.700 0.032 0.000 2.348 509 S HA -0.129 4.341 4.470 0.001 0.000 0.221 509 S C 1.931 176.563 174.600 0.053 0.000 1.033 509 S CA 1.682 59.906 58.200 0.040 0.000 1.010 509 S CB -0.480 62.751 63.200 0.051 0.000 0.891 509 S HN 0.286 nan 8.310 nan 0.000 0.442 510 V N 2.208 122.165 119.914 0.071 0.000 2.343 510 V HA -0.148 3.972 4.120 0.001 0.000 0.247 510 V C 2.810 178.928 176.094 0.041 0.000 1.051 510 V CA 1.811 64.145 62.300 0.058 0.000 1.036 510 V CB -1.326 30.534 31.823 0.062 0.000 0.654 510 V HN 0.612 nan 8.190 nan 0.000 0.451 511 A N 0.479 123.322 122.820 0.039 0.000 1.858 511 A HA -0.084 4.237 4.320 0.001 0.000 0.216 511 A C 2.423 180.022 177.584 0.026 0.000 1.190 511 A CA 1.918 53.972 52.037 0.030 0.000 0.617 511 A CB -1.264 17.752 19.000 0.028 0.000 0.827 511 A HN 0.526 nan 8.150 nan 0.000 0.443 512 G N -0.570 108.245 108.800 0.025 0.000 2.443 512 G HA2 -0.051 3.909 3.960 0.001 0.000 0.219 512 G HA3 -0.051 3.909 3.960 0.001 0.000 0.219 512 G C 1.529 176.442 174.900 0.022 0.000 1.131 512 G CA 0.925 46.038 45.100 0.020 0.000 0.775 512 G HN 0.414 nan 8.290 nan 0.000 0.547 513 L N -0.402 120.836 121.223 0.025 0.000 1.988 513 L HA 0.029 4.369 4.340 0.001 0.000 0.207 513 L C 2.869 179.754 176.870 0.025 0.000 1.071 513 L CA 1.365 56.220 54.840 0.025 0.000 0.744 513 L CB -0.378 41.698 42.059 0.028 0.000 0.893 513 L HN 0.218 nan 8.230 nan 0.000 0.433 514 M N 0.605 120.220 119.600 0.026 0.000 2.149 514 M HA -0.222 4.259 4.480 0.001 0.000 0.261 514 M C 2.310 178.626 176.300 0.026 0.000 1.064 514 M CA 1.881 57.196 55.300 0.025 0.000 1.102 514 M CB -0.236 32.379 32.600 0.025 0.000 1.369 514 M HN 0.343 nan 8.290 nan 0.000 0.408 515 I N -1.694 118.890 120.570 0.025 0.000 2.530 515 I HA -0.178 3.993 4.170 0.001 0.000 0.257 515 I C 1.929 178.061 176.117 0.026 0.000 1.179 515 I CA 1.692 63.007 61.300 0.024 0.000 1.440 515 I CB -1.404 36.608 38.000 0.021 0.000 1.087 515 I HN 0.351 nan 8.210 nan 0.000 0.440 516 T N -1.668 112.902 114.554 0.026 0.000 3.160 516 T HA 0.052 4.402 4.350 0.001 0.000 0.257 516 T C 0.836 175.556 174.700 0.035 0.000 1.147 516 T CA 0.168 62.285 62.100 0.028 0.000 1.064 516 T CB -1.079 67.804 68.868 0.025 0.000 0.949 516 T HN 0.337 nan 8.240 nan 0.000 0.526 517 T N 2.857 117.433 114.554 0.037 0.000 2.769 517 T HA 0.234 4.584 4.350 0.001 0.000 0.293 517 T C 0.597 175.330 174.700 0.056 0.000 0.931 517 T CA -0.126 62.001 62.100 0.045 0.000 1.139 517 T CB 1.153 70.045 68.868 0.041 0.000 0.881 517 T HN 0.280 nan 8.240 nan 0.000 0.532 518 E N 1.154 121.397 120.200 0.073 0.000 2.526 518 E HA 0.244 4.594 4.350 0.001 0.000 0.208 518 E C -0.209 176.485 176.600 0.157 0.000 0.997 518 E CA -0.167 56.293 56.400 0.100 0.000 0.961 518 E CB 0.382 30.136 29.700 0.090 0.000 1.030 518 E HN 0.650 nan 8.360 nan 0.000 0.483 519 C N 0.052 119.430 119.300 0.130 0.000 2.985 519 C HA 0.718 5.179 4.460 0.001 0.000 0.332 519 C C -1.672 173.344 174.990 0.043 0.000 1.164 519 C CA -0.665 58.434 59.018 0.135 0.000 1.347 519 C CB 0.377 28.261 27.740 0.240 0.000 1.764 519 C HN 0.266 nan 8.230 nan 0.000 0.489 520 M N 4.814 124.399 119.600 -0.025 0.000 2.433 520 M HA 0.688 5.168 4.480 0.001 0.000 0.290 520 M C -1.336 174.967 176.300 0.005 0.000 1.173 520 M CA -0.529 54.785 55.300 0.023 0.000 0.905 520 M CB 2.337 35.032 32.600 0.159 0.000 1.692 520 M HN 0.413 nan 8.290 nan 0.000 0.462 521 V N 0.757 120.620 119.914 -0.085 0.000 2.808 521 V HA 0.879 5.000 4.120 0.001 0.000 0.308 521 V C -0.611 175.326 176.094 -0.261 0.000 1.099 521 V CA -0.455 61.776 62.300 -0.115 0.000 0.920 521 V CB 2.248 34.046 31.823 -0.042 0.000 1.014 521 V HN 0.960 nan 8.190 nan 0.000 0.425 522 T N 1.328 115.683 114.554 -0.333 0.000 2.733 522 T HA 0.341 4.691 4.350 0.001 0.000 0.312 522 T C -1.668 172.891 174.700 -0.236 0.000 1.590 522 T CA -0.560 61.316 62.100 -0.373 0.000 1.005 522 T CB 1.826 70.302 68.868 -0.653 0.000 1.528 522 T HN 0.659 nan 8.240 nan 0.000 0.496 523 D N 1.335 121.634 120.400 -0.170 0.000 2.390 523 D HA 0.319 4.960 4.640 0.001 0.000 0.236 523 D C 0.908 177.179 176.300 -0.049 0.000 1.189 523 D CA 0.129 54.078 54.000 -0.086 0.000 0.887 523 D CB 0.489 41.247 40.800 -0.070 0.000 1.198 523 D HN 0.407 nan 8.370 nan 0.000 0.444 524 L N 0.838 122.057 121.223 -0.007 0.000 2.617 524 L HA 0.707 5.047 4.340 0.001 0.000 0.193 524 L C -1.361 175.518 176.870 0.016 0.000 1.655 524 L CA -0.388 54.466 54.840 0.024 0.000 3.079 524 L CB -0.202 41.876 42.059 0.032 0.000 2.896 524 L HN 0.499 nan 8.230 nan 0.000 0.876 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 nan 63.100 nan 0.000 0.800 525 P CB 0.000 nan 31.700 nan 0.000 0.726