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 2dmr_1_A DATA FIRST_RESID 3 DATA SEQUENCE LANGTVMSGS HWGVFTATVE NGRATAFTPW EKDPHPSPML AGVLDSIYSP DATA SEQUENCE TRIKYPMVRR EFLEKGVNAD RSTRGNGDFV RVSWDQALDL VAAEVKRVEE DATA SEQUENCE TYGPEGVFGG SYGWKSPGRL HNCTTLLRRM LTLAGGYVNG AGDYSTGAAQ DATA SEQUENCE VIMPHVVGTL EVYEQQTAWP VLAENTEVMV FWAADPIKTS QIGWVIPEHG DATA SEQUENCE AYPGLEALKA KGTKVIVIDP VRTKTVEFFG AEHITPKPQT DVAIMLGMAH DATA SEQUENCE TLVAEDLYDK DFIANYTSGF DKFLPYLDGE TDSTPKTAEW AEGISGVPAE DATA SEQUENCE TIKELARLFE SKRTMLAAGW SMQRMHHGEQ AHWMLVTLAS MLGQIGLPGG DATA SEQUENCE GFGLSYHYSG GGTPSTSGPA LAGITDGGAA TKXXXXXXXX GASVIPVARV DATA SEQUENCE VDMLENPGAE FDFNGTRSKF PDVKMAYWVG GNPFVHHQDR NRMVKAWEKL DATA SEQUENCE ETFVVHDFQW TPTARHADIV LPATTSYERN DIETIGDYSN TGILAMKKIV DATA SEQUENCE EPLYEARSDY DIFAAVAERL GKGAEFTEGK DEMGWIKSFY DDAAKQGKAA DATA SEQUENCE GVQMPAFDAF WAEGIVEFPV TDGADFVRYA SFREDPLLNP LGTPTGLIEI DATA SEQUENCE YSKNIEKMGY DDCPAHPTWM EPLERLDGPG AKYPLHIAAS HPFNRLHSQL DATA SEQUENCE NGTVLREGYA VQGHEPCLMH PDDAAARGIA DGDVVRVHND RGQILTGVKV DATA SEQUENCE TDAVMKGVIQ IYEGGWYDPS DVTEPGTLDK YGDVNVLSAD IGTSKLAQGN DATA SEQUENCE CGQTVLAEVE KYTGPAVTLT GFVAPKAAE 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 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.872 176.870 0.003 0.000 1.165 3 L CA 0.000 54.841 54.840 0.002 0.000 0.813 3 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 4 A N 1.535 124.359 122.820 0.008 0.000 2.445 4 A HA 0.629 4.947 4.320 -0.004 0.000 0.242 4 A C -0.519 177.070 177.584 0.008 0.000 1.075 4 A CA -0.006 52.037 52.037 0.009 0.000 0.777 4 A CB 0.082 19.092 19.000 0.016 0.000 1.013 4 A HN 0.651 nan 8.150 nan 0.000 0.493 5 N N 0.123 118.826 118.700 0.006 0.000 2.425 5 N HA 0.627 5.364 4.740 -0.004 0.000 0.289 5 N C -0.178 175.334 175.510 0.003 0.000 1.074 5 N CA 0.503 53.556 53.050 0.004 0.000 0.905 5 N CB 2.189 40.676 38.487 -0.000 0.000 1.586 5 N HN 1.197 nan 8.380 nan 0.000 0.490 6 G N 0.052 108.855 108.800 0.005 0.000 2.367 6 G HA2 0.362 4.319 3.960 -0.004 0.000 0.272 6 G HA3 0.362 4.319 3.960 -0.004 0.000 0.272 6 G C -1.674 173.227 174.900 0.003 0.000 1.271 6 G CA -0.482 44.617 45.100 -0.001 0.000 0.893 6 G HN 0.544 nan 8.290 nan 0.000 0.485 7 T N -2.472 112.076 114.554 -0.009 0.000 2.933 7 T HA 0.733 5.081 4.350 -0.004 0.000 0.305 7 T C -1.106 173.567 174.700 -0.044 0.000 1.092 7 T CA -0.678 61.415 62.100 -0.012 0.000 1.008 7 T CB 1.864 70.725 68.868 -0.012 0.000 1.102 7 T HN 1.398 nan 8.240 nan 0.000 0.469 8 V N 3.111 122.989 119.914 -0.059 0.000 2.686 8 V HA 0.581 4.699 4.120 -0.004 0.000 0.306 8 V C -0.294 175.669 176.094 -0.218 0.000 1.065 8 V CA -0.967 61.259 62.300 -0.124 0.000 0.894 8 V CB 1.927 33.696 31.823 -0.091 0.000 1.004 8 V HN 1.123 nan 8.190 nan 0.000 0.424 9 M N 3.334 122.750 119.600 -0.307 0.000 2.318 9 M HA 0.741 5.218 4.480 -0.004 0.000 0.347 9 M C -0.101 175.854 176.300 -0.575 0.000 1.175 9 M CA 0.607 55.639 55.300 -0.447 0.000 1.075 9 M CB 1.571 33.934 32.600 -0.396 0.000 1.614 9 M HN 0.859 nan 8.290 nan 0.000 0.456 10 S N 1.987 117.176 115.700 -0.852 0.000 3.003 10 S HA 0.964 5.432 4.470 -0.004 0.000 0.313 10 S C -0.969 173.093 174.600 -0.896 0.000 1.230 10 S CA -0.196 57.538 58.200 -0.777 0.000 0.977 10 S CB 1.547 64.382 63.200 -0.608 0.000 1.340 10 S HN 1.038 nan 8.310 nan 0.000 0.608 11 G N 0.319 108.804 108.800 -0.525 0.000 2.600 11 G HA2 0.652 4.609 3.960 -0.004 0.000 0.293 11 G HA3 0.652 4.609 3.960 -0.004 0.000 0.293 11 G C -0.928 174.100 174.900 0.213 0.000 1.408 11 G CA 0.393 45.385 45.100 -0.179 0.000 0.782 11 G HN 1.533 nan 8.290 nan 0.000 0.482 12 S N -2.206 113.677 115.700 0.305 0.000 2.873 12 S HA 0.439 4.906 4.470 -0.004 0.000 0.303 12 S C 0.172 174.935 174.600 0.270 0.000 1.222 12 S CA -0.470 57.968 58.200 0.396 0.000 0.923 12 S CB 1.046 64.718 63.200 0.786 0.000 1.286 12 S HN 0.544 nan 8.310 nan 0.000 0.571 13 H N -0.408 118.856 119.070 0.324 0.000 2.529 13 H HA 0.169 4.722 4.556 -0.004 0.000 0.277 13 H C 0.558 175.858 175.328 -0.047 0.000 0.999 13 H CA 1.009 57.055 56.048 -0.003 0.000 1.256 13 H CB 0.060 29.625 29.762 -0.328 0.000 1.402 13 H HN 0.562 nan 8.280 nan 0.000 0.566 14 W N 0.615 122.119 121.300 0.340 0.000 3.107 14 W HA 0.351 5.009 4.660 -0.004 0.000 0.293 14 W C 0.602 177.316 176.519 0.326 0.000 1.239 14 W CA 0.788 58.321 57.345 0.314 0.000 1.653 14 W CB 1.176 30.786 29.460 0.250 0.000 1.068 14 W HN 0.175 nan 8.180 nan 0.000 0.615 15 G N -0.135 108.937 108.800 0.454 0.000 2.369 15 G HA2 0.120 4.078 3.960 -0.004 0.000 0.293 15 G HA3 0.120 4.078 3.960 -0.004 0.000 0.293 15 G C -1.794 173.250 174.900 0.239 0.000 1.301 15 G CA -1.111 44.164 45.100 0.291 0.000 0.913 15 G HN -0.256 nan 8.290 nan 0.000 0.540 16 V N 0.994 120.973 119.914 0.108 0.000 2.509 16 V HA 0.777 4.895 4.120 -0.004 0.000 0.284 16 V C 0.155 176.277 176.094 0.046 0.000 1.047 16 V CA 0.310 62.518 62.300 -0.154 0.000 0.952 16 V CB 0.323 31.763 31.823 -0.638 0.000 0.988 16 V HN 1.140 nan 8.190 nan 0.000 0.469 17 F N 1.514 121.359 119.950 -0.175 0.000 2.715 17 F HA 0.797 5.322 4.527 -0.004 0.000 0.318 17 F C -0.553 175.120 175.800 -0.212 0.000 1.141 17 F CA -0.918 56.997 58.000 -0.141 0.000 0.950 17 F CB 1.793 40.669 39.000 -0.208 0.000 1.374 17 F HN 0.218 nan 8.300 nan 0.000 0.477 18 T N 1.612 116.244 114.554 0.130 0.000 2.812 18 T HA 0.756 5.104 4.350 -0.004 0.000 0.282 18 T C -0.448 174.353 174.700 0.168 0.000 0.990 18 T CA -0.415 61.695 62.100 0.016 0.000 0.960 18 T CB 1.294 70.178 68.868 0.026 0.000 0.948 18 T HN 0.927 nan 8.240 nan 0.000 0.438 19 A N 2.697 125.576 122.820 0.098 0.000 2.293 19 A HA 0.722 5.040 4.320 -0.004 0.000 0.302 19 A C 0.250 177.916 177.584 0.136 0.000 1.119 19 A CA -0.572 51.590 52.037 0.208 0.000 0.823 19 A CB 0.526 19.659 19.000 0.221 0.000 1.097 19 A HN 0.681 nan 8.150 nan 0.000 0.491 20 T N 1.767 116.414 114.554 0.156 0.000 2.772 20 T HA 0.474 4.822 4.350 -0.004 0.000 0.288 20 T C -0.505 174.244 174.700 0.081 0.000 0.994 20 T CA -0.177 61.975 62.100 0.086 0.000 0.951 20 T CB 0.753 69.659 68.868 0.064 0.000 0.933 20 T HN 0.403 nan 8.240 nan 0.000 0.447 21 V N 4.445 124.394 119.914 0.059 0.000 2.427 21 V HA 0.418 4.535 4.120 -0.004 0.000 0.286 21 V C 0.054 176.162 176.094 0.024 0.000 1.034 21 V CA -0.677 61.654 62.300 0.052 0.000 0.893 21 V CB 1.520 33.375 31.823 0.053 0.000 0.982 21 V HN 0.834 nan 8.190 nan 0.000 0.452 22 E N 4.515 124.721 120.200 0.010 0.000 2.220 22 E HA 0.377 4.725 4.350 -0.004 0.000 0.256 22 E C -0.487 176.106 176.600 -0.012 0.000 0.881 22 E CA -0.616 55.780 56.400 -0.006 0.000 0.766 22 E CB 0.983 30.672 29.700 -0.019 0.000 1.187 22 E HN 0.695 nan 8.360 nan 0.000 0.419 23 N N 2.262 120.957 118.700 -0.007 0.000 2.735 23 N HA -0.226 4.512 4.740 -0.004 0.000 0.248 23 N C 0.625 176.133 175.510 -0.004 0.000 1.083 23 N CA 1.260 54.304 53.050 -0.009 0.000 0.703 23 N CB -1.007 37.469 38.487 -0.019 0.000 1.005 23 N HN 1.057 nan 8.380 nan 0.000 0.550 24 G N -0.592 108.214 108.800 0.010 0.000 2.143 24 G HA2 -0.346 3.612 3.960 -0.004 0.000 0.249 24 G HA3 -0.346 3.612 3.960 -0.004 0.000 0.249 24 G C 0.022 174.949 174.900 0.045 0.000 0.981 24 G CA 0.642 45.756 45.100 0.024 0.000 0.665 24 G HN 0.661 nan 8.290 nan 0.000 0.528 25 R N 0.131 120.649 120.500 0.031 0.000 2.561 25 R HA 0.679 5.017 4.340 -0.004 0.000 0.297 25 R C 0.336 176.672 176.300 0.059 0.000 0.969 25 R CA -0.071 56.052 56.100 0.038 0.000 0.879 25 R CB 1.211 31.450 30.300 -0.101 0.000 1.178 25 R HN 0.643 nan 8.270 nan 0.000 0.445 26 A N 2.436 125.358 122.820 0.171 0.000 2.444 26 A HA 0.127 4.444 4.320 -0.004 0.000 0.273 26 A C 1.083 178.695 177.584 0.047 0.000 1.136 26 A CA 0.144 52.281 52.037 0.166 0.000 0.799 26 A CB 0.193 19.360 19.000 0.277 0.000 1.081 26 A HN 0.936 nan 8.150 nan 0.000 0.509 27 T N -0.394 114.170 114.554 0.017 0.000 3.037 27 T HA 0.538 4.886 4.350 -0.004 0.000 0.252 27 T C 0.549 175.222 174.700 -0.045 0.000 1.073 27 T CA 0.769 62.841 62.100 -0.046 0.000 1.091 27 T CB 0.018 68.859 68.868 -0.045 0.000 0.935 27 T HN 1.627 nan 8.240 nan 0.000 0.488 28 A N 0.408 123.244 122.820 0.028 0.000 2.594 28 A HA 0.682 4.999 4.320 -0.004 0.000 0.295 28 A C -1.984 175.745 177.584 0.241 0.000 1.071 28 A CA -0.782 51.279 52.037 0.039 0.000 0.685 28 A CB 1.102 20.120 19.000 0.030 0.000 1.285 28 A HN 0.178 nan 8.150 nan 0.000 0.405 29 F N 1.220 121.100 119.950 -0.118 0.000 2.496 29 F HA 0.562 5.087 4.527 -0.004 0.000 0.341 29 F C 0.286 176.051 175.800 -0.057 0.000 1.134 29 F CA -0.657 57.245 58.000 -0.162 0.000 0.968 29 F CB 2.070 40.736 39.000 -0.556 0.000 1.205 29 F HN 0.443 nan 8.300 nan 0.000 0.436 30 T N 5.975 120.648 114.554 0.197 0.000 2.824 30 T HA 0.440 4.788 4.350 -0.004 0.000 0.280 30 T C -2.538 172.278 174.700 0.192 0.000 0.995 30 T CA -1.529 60.657 62.100 0.144 0.000 1.009 30 T CB 1.839 70.771 68.868 0.107 0.000 0.955 30 T HN 0.136 nan 8.240 nan 0.000 0.452 31 P HA 0.061 nan 4.420 nan 0.000 0.272 31 P C -0.385 177.075 177.300 0.266 0.000 1.223 31 P CA -0.682 62.558 63.100 0.234 0.000 0.784 31 P CB 0.566 32.373 31.700 0.180 0.000 0.923 32 W N 3.231 124.574 121.300 0.072 0.000 2.209 32 W HA -0.006 4.652 4.660 -0.004 0.000 0.344 32 W C 1.557 178.090 176.519 0.023 0.000 1.285 32 W CA -0.251 57.108 57.345 0.023 0.000 1.267 32 W CB 0.006 29.474 29.460 0.013 0.000 1.167 32 W HN 0.633 nan 8.180 nan 0.000 0.574 33 E N 2.077 122.257 120.200 -0.033 0.000 2.152 33 E HA -0.174 4.174 4.350 -0.004 0.000 0.192 33 E C 1.143 177.517 176.600 -0.377 0.000 0.983 33 E CA 1.285 57.584 56.400 -0.167 0.000 0.818 33 E CB -0.129 29.502 29.700 -0.116 0.000 0.758 33 E HN 0.482 nan 8.360 nan 0.000 0.467 34 K N 0.920 120.793 120.400 -0.878 0.000 2.444 34 K HA 0.033 4.351 4.320 -0.004 0.000 0.193 34 K C 0.082 176.287 176.600 -0.658 0.000 1.024 34 K CA 0.069 55.822 56.287 -0.889 0.000 1.077 34 K CB 0.256 31.988 32.500 -1.279 0.000 0.833 34 K HN 0.083 nan 8.250 nan 0.000 0.517 35 D N 1.811 122.000 120.400 -0.353 0.000 2.338 35 D HA 0.011 4.648 4.640 -0.004 0.000 0.255 35 D C -1.446 174.879 176.300 0.042 0.000 1.237 35 D CA -1.905 52.121 54.000 0.044 0.000 0.883 35 D CB 1.314 42.299 40.800 0.309 0.000 1.087 35 D HN 0.011 nan 8.370 nan 0.000 0.485 36 P HA -0.092 nan 4.420 nan 0.000 0.226 36 P C -0.140 177.206 177.300 0.075 0.000 1.153 36 P CA 0.759 63.899 63.100 0.068 0.000 0.777 36 P CB 0.266 32.029 31.700 0.105 0.000 0.794 37 H N -1.083 117.957 119.070 -0.050 0.000 2.826 37 H HA 0.298 4.852 4.556 -0.004 0.000 0.255 37 H C -2.761 172.336 175.328 -0.384 0.000 1.427 37 H CA -1.570 54.274 56.048 -0.340 0.000 1.521 37 H CB 0.601 29.880 29.762 -0.806 0.000 1.934 37 H HN -0.112 nan 8.280 nan 0.000 0.644 38 P HA 0.010 nan 4.420 nan 0.000 0.269 38 P C -0.171 177.058 177.300 -0.119 0.000 1.217 38 P CA -0.049 63.041 63.100 -0.018 0.000 0.783 38 P CB 1.182 32.896 31.700 0.023 0.000 0.898 39 S N 1.627 117.350 115.700 0.039 0.000 2.480 39 S HA 0.384 4.852 4.470 -0.004 0.000 0.286 39 S C -1.632 173.011 174.600 0.073 0.000 1.180 39 S CA -1.713 56.532 58.200 0.075 0.000 1.075 39 S CB 0.134 63.486 63.200 0.253 0.000 0.996 39 S HN 0.175 nan 8.310 nan 0.000 0.487 40 P HA -0.027 nan 4.420 nan 0.000 0.223 40 P C 0.994 178.304 177.300 0.017 0.000 1.144 40 P CA 1.147 64.270 63.100 0.037 0.000 0.783 40 P CB 0.022 31.765 31.700 0.073 0.000 0.771 41 M N -1.898 117.721 119.600 0.031 0.000 2.630 41 M HA -0.022 4.456 4.480 -0.004 0.000 0.254 41 M C 1.771 177.891 176.300 -0.300 0.000 1.092 41 M CA 0.807 56.047 55.300 -0.099 0.000 1.087 41 M CB -0.592 31.978 32.600 -0.050 0.000 1.453 41 M HN -0.026 nan 8.290 nan 0.000 0.509 42 L N 0.269 121.379 121.223 -0.189 0.000 2.043 42 L HA -0.251 4.087 4.340 -0.004 0.000 0.212 42 L C 2.833 179.529 176.870 -0.290 0.000 1.075 42 L CA 1.473 56.181 54.840 -0.219 0.000 0.752 42 L CB -0.735 41.282 42.059 -0.070 0.000 0.891 42 L HN 0.357 nan 8.230 nan 0.000 0.432 43 A N -0.018 122.662 122.820 -0.234 0.000 1.940 43 A HA -0.178 4.139 4.320 -0.004 0.000 0.219 43 A C 2.357 179.749 177.584 -0.319 0.000 1.176 43 A CA 1.845 53.722 52.037 -0.267 0.000 0.631 43 A CB -1.194 17.703 19.000 -0.172 0.000 0.814 43 A HN 0.489 nan 8.150 nan 0.000 0.446 44 G N -0.590 108.035 108.800 -0.292 0.000 2.408 44 G HA2 -0.074 3.884 3.960 -0.004 0.000 0.217 44 G HA3 -0.074 3.884 3.960 -0.004 0.000 0.217 44 G C 1.480 176.176 174.900 -0.340 0.000 1.150 44 G CA 1.179 46.113 45.100 -0.276 0.000 0.776 44 G HN 0.345 nan 8.290 nan 0.000 0.542 45 V N 0.998 120.620 119.914 -0.487 0.000 2.332 45 V HA -0.179 3.939 4.120 -0.004 0.000 0.248 45 V C 2.670 178.479 176.094 -0.474 0.000 1.055 45 V CA 1.700 63.728 62.300 -0.454 0.000 1.038 45 V CB -0.637 30.889 31.823 -0.495 0.000 0.651 45 V HN 0.370 nan 8.190 nan 0.000 0.450 46 L N 0.885 121.597 121.223 -0.852 0.000 2.017 46 L HA -0.171 4.166 4.340 -0.004 0.000 0.208 46 L C 2.100 178.702 176.870 -0.447 0.000 1.073 46 L CA 2.491 56.672 54.840 -1.098 0.000 0.745 46 L CB -1.011 40.217 42.059 -1.384 0.000 0.894 46 L HN 0.367 nan 8.230 nan 0.000 0.432 47 D N -0.852 119.363 120.400 -0.309 0.000 2.158 47 D HA -0.221 4.416 4.640 -0.004 0.000 0.197 47 D C 2.337 178.608 176.300 -0.048 0.000 0.995 47 D CA 1.417 55.344 54.000 -0.121 0.000 0.846 47 D CB -0.105 40.615 40.800 -0.134 0.000 0.941 47 D HN 0.595 nan 8.370 nan 0.000 0.456 48 S N -0.745 114.922 115.700 -0.056 0.000 2.465 48 S HA -0.149 4.319 4.470 -0.004 0.000 0.241 48 S C 2.099 176.723 174.600 0.040 0.000 1.000 48 S CA 0.593 58.840 58.200 0.078 0.000 0.964 48 S CB -0.647 62.673 63.200 0.201 0.000 0.763 48 S HN 0.380 nan 8.310 nan 0.000 0.512 49 I N -0.649 119.824 120.570 -0.161 0.000 2.286 49 I HA -0.069 4.099 4.170 -0.004 0.000 0.245 49 I C 1.609 177.457 176.117 -0.448 0.000 1.104 49 I CA 1.220 62.273 61.300 -0.411 0.000 1.397 49 I CB -0.153 37.410 38.000 -0.729 0.000 1.072 49 I HN 0.291 nan 8.210 nan 0.000 0.417 50 Y N -0.134 120.177 120.300 0.018 0.000 2.445 50 Y HA 0.217 4.765 4.550 -0.004 0.000 0.247 50 Y C 1.664 177.606 175.900 0.069 0.000 1.129 50 Y CA -0.654 57.472 58.100 0.043 0.000 1.251 50 Y CB -0.384 38.065 38.460 -0.017 0.000 1.176 50 Y HN -0.012 nan 8.280 nan 0.000 0.522 51 S N 1.294 117.103 115.700 0.181 0.000 2.572 51 S HA 0.007 4.475 4.470 -0.004 0.000 0.267 51 S C -1.684 173.017 174.600 0.168 0.000 1.361 51 S CA -0.843 57.443 58.200 0.143 0.000 1.009 51 S CB 0.716 63.978 63.200 0.105 0.000 0.888 51 S HN 0.006 nan 8.310 nan 0.000 0.553 52 P HA 0.028 nan 4.420 nan 0.000 0.225 52 P C 0.953 178.363 177.300 0.183 0.000 1.148 52 P CA 0.976 64.158 63.100 0.136 0.000 0.779 52 P CB -0.459 31.301 31.700 0.100 0.000 0.780 53 T N -3.849 110.857 114.554 0.254 0.000 3.188 53 T HA 0.180 4.528 4.350 -0.004 0.000 0.250 53 T C 0.697 175.608 174.700 0.353 0.000 1.077 53 T CA -0.446 61.875 62.100 0.368 0.000 0.967 53 T CB -0.370 68.797 68.868 0.498 0.000 1.006 53 T HN -0.111 nan 8.240 nan 0.000 0.552 54 R N 1.896 122.545 120.500 0.248 0.000 2.442 54 R HA 0.372 4.710 4.340 -0.004 0.000 0.291 54 R C -0.477 175.848 176.300 0.043 0.000 1.069 54 R CA -0.560 55.643 56.100 0.172 0.000 1.022 54 R CB -0.359 30.059 30.300 0.196 0.000 0.976 54 R HN 0.374 nan 8.270 nan 0.000 0.443 55 I N 6.257 126.745 120.570 -0.137 0.000 2.396 55 I HA 0.064 4.231 4.170 -0.004 0.000 0.289 55 I C 1.006 176.946 176.117 -0.294 0.000 1.056 55 I CA -0.055 61.026 61.300 -0.365 0.000 1.365 55 I CB 1.330 38.897 38.000 -0.722 0.000 1.407 55 I HN 0.705 nan 8.210 nan 0.000 0.509 56 K N 5.159 125.283 120.400 -0.460 0.000 2.108 56 K HA 0.104 4.422 4.320 -0.004 0.000 0.204 56 K C -0.385 175.770 176.600 -0.742 0.000 1.036 56 K CA 0.868 56.684 56.287 -0.784 0.000 0.965 56 K CB 0.075 31.632 32.500 -1.571 0.000 0.804 56 K HN 0.341 nan 8.250 nan 0.000 0.454 57 Y N 0.601 120.802 120.300 -0.165 0.000 2.549 57 Y HA 0.338 4.886 4.550 -0.004 0.000 0.339 57 Y C -2.532 173.135 175.900 -0.387 0.000 1.053 57 Y CA -3.775 54.177 58.100 -0.247 0.000 1.105 57 Y CB 0.066 38.423 38.460 -0.172 0.000 1.258 57 Y HN -0.086 nan 8.280 nan 0.000 0.478 58 P HA 0.132 nan 4.420 nan 0.000 0.267 58 P C -0.741 176.414 177.300 -0.240 0.000 1.209 58 P CA 0.326 63.101 63.100 -0.543 0.000 0.763 58 P CB 0.363 31.567 31.700 -0.828 0.000 0.816 59 M N 2.756 122.238 119.600 -0.197 0.000 2.464 59 M HA 0.423 4.900 4.480 -0.004 0.000 0.308 59 M C -0.799 175.551 176.300 0.083 0.000 1.127 59 M CA -0.933 54.343 55.300 -0.039 0.000 0.913 59 M CB 2.099 34.629 32.600 -0.117 0.000 1.689 59 M HN -0.033 nan 8.290 nan 0.000 0.445 60 V N 2.151 122.200 119.914 0.225 0.000 2.540 60 V HA 0.464 4.582 4.120 -0.004 0.000 0.302 60 V C 0.163 176.460 176.094 0.338 0.000 1.035 60 V CA -0.978 61.476 62.300 0.256 0.000 0.873 60 V CB 2.108 34.040 31.823 0.182 0.000 0.992 60 V HN 0.867 nan 8.190 nan 0.000 0.428 61 R N 3.358 124.008 120.500 0.251 0.000 2.480 61 R HA 0.071 4.409 4.340 -0.004 0.000 0.303 61 R C 1.595 177.914 176.300 0.032 0.000 0.985 61 R CA 0.190 56.253 56.100 -0.062 0.000 1.051 61 R CB 0.233 30.459 30.300 -0.122 0.000 0.935 61 R HN 0.750 nan 8.270 nan 0.000 0.410 62 R N 3.399 123.867 120.500 -0.052 0.000 2.113 62 R HA -0.269 4.069 4.340 -0.004 0.000 0.244 62 R C 0.971 177.278 176.300 0.012 0.000 1.142 62 R CA 2.591 58.685 56.100 -0.009 0.000 0.953 62 R CB -0.019 30.254 30.300 -0.045 0.000 0.860 62 R HN 0.777 nan 8.270 nan 0.000 0.438 63 E N -0.229 119.969 120.200 -0.004 0.000 2.070 63 E HA -0.225 4.123 4.350 -0.004 0.000 0.197 63 E C 1.642 178.293 176.600 0.085 0.000 1.004 63 E CA 1.774 58.189 56.400 0.024 0.000 0.805 63 E CB -0.433 29.272 29.700 0.009 0.000 0.744 63 E HN 0.404 nan 8.360 nan 0.000 0.451 64 F N 0.437 120.378 119.950 -0.015 0.000 2.259 64 F HA 0.018 4.543 4.527 -0.004 0.000 0.298 64 F C 1.802 177.615 175.800 0.021 0.000 1.088 64 F CA 0.797 58.806 58.000 0.016 0.000 1.358 64 F CB 0.052 39.074 39.000 0.036 0.000 1.040 64 F HN -0.043 nan 8.300 nan 0.000 0.505 65 L N 0.059 121.352 121.223 0.116 0.000 1.989 65 L HA -0.240 4.098 4.340 -0.004 0.000 0.211 65 L C 2.196 179.031 176.870 -0.059 0.000 1.071 65 L CA 2.123 56.983 54.840 0.033 0.000 0.749 65 L CB -0.517 41.580 42.059 0.064 0.000 0.890 65 L HN 0.209 nan 8.230 nan 0.000 0.431 66 E N -0.745 119.429 120.200 -0.043 0.000 2.170 66 E HA -0.142 4.205 4.350 -0.004 0.000 0.191 66 E C 1.568 178.118 176.600 -0.082 0.000 0.981 66 E CA 0.706 57.075 56.400 -0.053 0.000 0.830 66 E CB 0.155 29.837 29.700 -0.029 0.000 0.775 66 E HN 0.337 nan 8.360 nan 0.000 0.470 67 K N -0.155 120.181 120.400 -0.107 0.000 2.402 67 K HA 0.157 4.475 4.320 -0.004 0.000 0.204 67 K C 0.875 177.369 176.600 -0.177 0.000 1.056 67 K CA 0.280 56.504 56.287 -0.106 0.000 1.069 67 K CB 1.252 33.720 32.500 -0.053 0.000 0.888 67 K HN 0.192 nan 8.250 nan 0.000 0.546 68 G N 1.292 109.867 108.800 -0.374 0.000 2.685 68 G HA2 -0.441 3.517 3.960 -0.004 0.000 0.329 68 G HA3 -0.441 3.517 3.960 -0.004 0.000 0.329 68 G C 1.007 175.735 174.900 -0.288 0.000 1.271 68 G CA 1.177 45.907 45.100 -0.617 0.000 1.003 68 G HN 0.356 nan 8.290 nan 0.000 0.549 69 V N -0.358 119.487 119.914 -0.115 0.000 3.078 69 V HA 0.092 4.210 4.120 -0.004 0.000 0.265 69 V C 1.721 177.835 176.094 0.033 0.000 1.122 69 V CA 2.610 64.933 62.300 0.039 0.000 1.141 69 V CB -0.334 31.537 31.823 0.079 0.000 0.735 69 V HN 0.570 nan 8.190 nan 0.000 0.498 70 N N 1.434 120.130 118.700 -0.007 0.000 2.268 70 N HA 0.373 5.111 4.740 -0.004 0.000 0.204 70 N C 0.646 176.162 175.510 0.009 0.000 1.124 70 N CA 0.733 53.785 53.050 0.004 0.000 0.838 70 N CB 0.641 39.123 38.487 -0.010 0.000 0.994 70 N HN 0.703 nan 8.380 nan 0.000 0.489 71 A N 0.606 123.440 122.820 0.023 0.000 2.366 71 A HA 0.110 4.428 4.320 -0.004 0.000 0.249 71 A C 0.134 177.751 177.584 0.055 0.000 1.084 71 A CA -0.326 51.736 52.037 0.041 0.000 0.794 71 A CB 0.325 19.379 19.000 0.090 0.000 1.034 71 A HN 0.105 nan 8.150 nan 0.000 0.491 72 D N 0.037 120.461 120.400 0.041 0.000 2.339 72 D HA 0.157 4.795 4.640 -0.004 0.000 0.256 72 D C 0.942 177.276 176.300 0.057 0.000 1.214 72 D CA 0.202 54.225 54.000 0.039 0.000 0.877 72 D CB 0.405 41.218 40.800 0.021 0.000 1.111 72 D HN 0.445 nan 8.370 nan 0.000 0.478 73 R N 1.796 122.338 120.500 0.071 0.000 2.313 73 R HA -0.003 4.335 4.340 -0.004 0.000 0.199 73 R C 1.797 178.151 176.300 0.090 0.000 0.958 73 R CA 0.519 56.676 56.100 0.095 0.000 1.047 73 R CB 0.135 30.498 30.300 0.105 0.000 0.955 73 R HN 0.464 nan 8.270 nan 0.000 0.481 74 S N -0.330 115.408 115.700 0.064 0.000 2.496 74 S HA -0.079 4.389 4.470 -0.004 0.000 0.224 74 S C 1.798 176.419 174.600 0.035 0.000 0.996 74 S CA 1.014 59.250 58.200 0.059 0.000 0.927 74 S CB 0.013 63.239 63.200 0.043 0.000 0.774 74 S HN 0.298 nan 8.310 nan 0.000 0.524 75 T N -0.687 113.871 114.554 0.006 0.000 3.107 75 T HA 0.283 4.630 4.350 -0.004 0.000 0.249 75 T C 0.674 175.318 174.700 -0.093 0.000 1.096 75 T CA -0.566 61.508 62.100 -0.044 0.000 1.012 75 T CB -0.434 68.397 68.868 -0.061 0.000 0.977 75 T HN 0.254 nan 8.240 nan 0.000 0.527 76 R N 1.098 121.570 120.500 -0.047 0.000 2.523 76 R HA 0.314 4.652 4.340 -0.004 0.000 0.281 76 R C 1.516 177.627 176.300 -0.315 0.000 0.969 76 R CA 1.274 57.313 56.100 -0.101 0.000 1.093 76 R CB -0.159 30.189 30.300 0.081 0.000 0.917 76 R HN 0.585 nan 8.270 nan 0.000 0.408 77 G N 2.195 110.660 108.800 -0.559 0.000 2.194 77 G HA2 -0.307 3.650 3.960 -0.004 0.000 0.236 77 G HA3 -0.307 3.650 3.960 -0.004 0.000 0.236 77 G C 0.639 175.263 174.900 -0.459 0.000 0.987 77 G CA 0.285 44.832 45.100 -0.922 0.000 0.635 77 G HN 0.720 nan 8.290 nan 0.000 0.520 78 N N 1.264 119.767 118.700 -0.327 0.000 2.467 78 N HA 0.339 5.077 4.740 -0.004 0.000 0.184 78 N C 1.795 177.170 175.510 -0.226 0.000 1.106 78 N CA 1.580 54.489 53.050 -0.236 0.000 0.892 78 N CB -0.382 37.996 38.487 -0.182 0.000 0.969 78 N HN 1.775 nan 8.380 nan 0.000 0.454 79 G N -0.143 108.501 108.800 -0.259 0.000 2.176 79 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.253 79 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.253 79 G C -0.361 174.438 174.900 -0.168 0.000 0.979 79 G CA 0.201 45.206 45.100 -0.159 0.000 0.641 79 G HN 0.571 nan 8.290 nan 0.000 0.530 80 D N 0.715 120.930 120.400 -0.309 0.000 2.551 80 D HA 0.464 5.102 4.640 -0.004 0.000 0.223 80 D C -0.163 175.958 176.300 -0.300 0.000 1.144 80 D CA -0.247 53.614 54.000 -0.232 0.000 1.025 80 D CB -0.703 39.983 40.800 -0.189 0.000 1.085 80 D HN 0.128 nan 8.370 nan 0.000 0.506 81 F N 1.211 121.126 119.950 -0.058 0.000 2.458 81 F HA 0.380 4.905 4.527 -0.004 0.000 0.330 81 F C 0.419 176.217 175.800 -0.003 0.000 1.082 81 F CA -0.965 57.028 58.000 -0.013 0.000 0.995 81 F CB 1.790 40.798 39.000 0.012 0.000 1.170 81 F HN -0.147 nan 8.300 nan 0.000 0.478 82 V N 3.673 123.724 119.914 0.229 0.000 2.370 82 V HA 0.378 4.496 4.120 -0.004 0.000 0.283 82 V C 0.076 176.235 176.094 0.107 0.000 1.023 82 V CA -1.013 61.361 62.300 0.124 0.000 0.857 82 V CB 1.403 33.274 31.823 0.080 0.000 0.985 82 V HN 0.666 nan 8.190 nan 0.000 0.443 83 R N 4.304 124.835 120.500 0.052 0.000 2.491 83 R HA 0.520 4.858 4.340 -0.004 0.000 0.283 83 R C -0.673 175.609 176.300 -0.028 0.000 1.072 83 R CA -0.111 55.988 56.100 -0.001 0.000 1.048 83 R CB 0.976 31.238 30.300 -0.063 0.000 0.983 83 R HN 0.646 nan 8.270 nan 0.000 0.450 84 V N 0.672 120.555 119.914 -0.052 0.000 3.102 84 V HA 0.558 4.676 4.120 -0.004 0.000 0.312 84 V C -0.112 175.938 176.094 -0.075 0.000 1.135 84 V CA -0.950 61.324 62.300 -0.045 0.000 1.022 84 V CB 1.658 33.472 31.823 -0.014 0.000 1.056 84 V HN 0.941 nan 8.190 nan 0.000 0.436 85 S N 0.273 115.958 115.700 -0.025 0.000 2.614 85 S HA 0.235 4.703 4.470 -0.004 0.000 0.265 85 S C 0.462 175.090 174.600 0.046 0.000 1.303 85 S CA 0.004 58.211 58.200 0.011 0.000 1.000 85 S CB 0.413 63.646 63.200 0.055 0.000 0.935 85 S HN 0.906 nan 8.310 nan 0.000 0.551 86 W N 0.575 121.888 121.300 0.021 0.000 2.338 86 W HA -0.102 4.556 4.660 -0.003 0.000 0.304 86 W C 1.999 178.523 176.519 0.008 0.000 1.212 86 W CA 1.118 58.469 57.345 0.009 0.000 1.264 86 W CB -0.150 29.313 29.460 0.005 0.000 1.142 86 W HN 0.747 nan 8.180 nan 0.000 0.512 87 D N -0.420 120.144 120.400 0.273 0.000 2.117 87 D HA -0.202 4.435 4.640 -0.004 0.000 0.197 87 D C 1.928 178.308 176.300 0.133 0.000 0.987 87 D CA 1.507 55.607 54.000 0.166 0.000 0.829 87 D CB -0.449 40.419 40.800 0.113 0.000 0.961 87 D HN 0.335 nan 8.370 nan 0.000 0.460 88 Q N 0.457 120.323 119.800 0.110 0.000 1.993 88 Q HA -0.103 4.235 4.340 -0.004 0.000 0.202 88 Q C 2.290 178.349 176.000 0.098 0.000 0.984 88 Q CA 1.638 57.491 55.803 0.085 0.000 0.837 88 Q CB -0.193 28.580 28.738 0.059 0.000 0.902 88 Q HN 0.204 nan 8.270 nan 0.000 0.423 89 A N 0.764 123.641 122.820 0.094 0.000 1.917 89 A HA -0.215 4.103 4.320 -0.004 0.000 0.219 89 A C 2.081 179.752 177.584 0.146 0.000 1.182 89 A CA 1.454 53.545 52.037 0.090 0.000 0.633 89 A CB -0.870 18.128 19.000 -0.004 0.000 0.819 89 A HN 0.331 nan 8.150 nan 0.000 0.448 90 L N -0.848 120.495 121.223 0.199 0.000 2.056 90 L HA -0.182 4.156 4.340 -0.004 0.000 0.207 90 L C 2.196 179.143 176.870 0.128 0.000 1.078 90 L CA 1.406 56.350 54.840 0.174 0.000 0.749 90 L CB -0.724 41.431 42.059 0.160 0.000 0.901 90 L HN 0.286 nan 8.230 nan 0.000 0.433 91 D N 0.041 120.509 120.400 0.113 0.000 2.104 91 D HA -0.191 4.446 4.640 -0.004 0.000 0.194 91 D C 2.060 178.423 176.300 0.106 0.000 0.994 91 D CA 1.100 55.157 54.000 0.095 0.000 0.830 91 D CB -0.128 40.721 40.800 0.082 0.000 0.959 91 D HN 0.062 nan 8.370 nan 0.000 0.452 92 L N 0.495 121.790 121.223 0.119 0.000 1.994 92 L HA -0.143 4.195 4.340 -0.004 0.000 0.208 92 L C 2.384 179.348 176.870 0.156 0.000 1.071 92 L CA 1.301 56.226 54.840 0.142 0.000 0.745 92 L CB -0.729 41.425 42.059 0.159 0.000 0.892 92 L HN -0.082 nan 8.230 nan 0.000 0.431 93 V N -0.081 119.922 119.914 0.148 0.000 2.287 93 V HA -0.325 3.793 4.120 -0.004 0.000 0.248 93 V C 2.751 178.956 176.094 0.185 0.000 1.053 93 V CA 1.749 64.147 62.300 0.163 0.000 1.027 93 V CB -1.494 30.443 31.823 0.191 0.000 0.646 93 V HN 0.584 nan 8.190 nan 0.000 0.447 94 A N -0.076 122.839 122.820 0.158 0.000 1.898 94 A HA -0.067 4.251 4.320 -0.004 0.000 0.216 94 A C 2.452 180.110 177.584 0.122 0.000 1.181 94 A CA 2.040 54.158 52.037 0.135 0.000 0.620 94 A CB -0.855 18.205 19.000 0.099 0.000 0.819 94 A HN 0.572 nan 8.150 nan 0.000 0.442 95 A N -0.357 122.532 122.820 0.115 0.000 1.865 95 A HA -0.201 4.117 4.320 -0.004 0.000 0.217 95 A C 1.986 179.645 177.584 0.124 0.000 1.191 95 A CA 1.873 53.973 52.037 0.105 0.000 0.623 95 A CB -0.515 18.543 19.000 0.097 0.000 0.826 95 A HN 0.448 nan 8.150 nan 0.000 0.444 96 E N -0.225 120.069 120.200 0.157 0.000 2.077 96 E HA -0.112 4.236 4.350 -0.004 0.000 0.193 96 E C 2.269 178.978 176.600 0.181 0.000 0.989 96 E CA 1.287 57.799 56.400 0.186 0.000 0.800 96 E CB -0.646 29.192 29.700 0.230 0.000 0.746 96 E HN 0.383 nan 8.360 nan 0.000 0.452 97 V N 1.448 121.472 119.914 0.184 0.000 2.287 97 V HA -0.262 3.856 4.120 -0.004 0.000 0.248 97 V C 2.444 178.628 176.094 0.149 0.000 1.053 97 V CA 1.952 64.365 62.300 0.189 0.000 1.027 97 V CB -0.434 31.510 31.823 0.202 0.000 0.646 97 V HN 0.135 nan 8.190 nan 0.000 0.447 98 K N 0.368 120.841 120.400 0.122 0.000 2.147 98 K HA -0.160 4.157 4.320 -0.004 0.000 0.205 98 K C 2.253 178.904 176.600 0.085 0.000 1.049 98 K CA 1.424 57.767 56.287 0.093 0.000 0.936 98 K CB -0.403 32.142 32.500 0.076 0.000 0.722 98 K HN 0.341 nan 8.250 nan 0.000 0.446 99 R N -0.386 120.172 120.500 0.095 0.000 2.081 99 R HA -0.078 4.259 4.340 -0.004 0.000 0.235 99 R C 1.766 178.118 176.300 0.087 0.000 1.131 99 R CA 1.593 57.740 56.100 0.078 0.000 0.960 99 R CB -0.141 30.217 30.300 0.097 0.000 0.856 99 R HN 0.068 nan 8.270 nan 0.000 0.436 100 V N 1.176 121.189 119.914 0.165 0.000 2.591 100 V HA -0.119 3.999 4.120 -0.004 0.000 0.249 100 V C 2.089 178.307 176.094 0.207 0.000 1.053 100 V CA 1.485 63.947 62.300 0.270 0.000 1.068 100 V CB -0.208 31.799 31.823 0.307 0.000 0.689 100 V HN 0.336 nan 8.190 nan 0.000 0.462 101 E N -0.153 120.131 120.200 0.141 0.000 2.107 101 E HA -0.143 4.204 4.350 -0.004 0.000 0.191 101 E C 2.243 178.881 176.600 0.063 0.000 0.982 101 E CA 0.784 57.250 56.400 0.110 0.000 0.809 101 E CB -0.043 29.715 29.700 0.096 0.000 0.756 101 E HN 0.584 nan 8.360 nan 0.000 0.459 102 E N 0.284 120.503 120.200 0.032 0.000 2.072 102 E HA -0.072 4.276 4.350 -0.004 0.000 0.190 102 E C 2.100 178.661 176.600 -0.063 0.000 0.982 102 E CA 1.083 57.480 56.400 -0.006 0.000 0.803 102 E CB -0.234 29.460 29.700 -0.009 0.000 0.755 102 E HN 0.208 nan 8.360 nan 0.000 0.453 103 T N 0.153 114.618 114.554 -0.148 0.000 2.809 103 T HA -0.062 4.286 4.350 -0.004 0.000 0.260 103 T C 1.504 175.947 174.700 -0.429 0.000 1.039 103 T CA 1.013 62.890 62.100 -0.372 0.000 1.141 103 T CB -0.238 68.232 68.868 -0.664 0.000 0.869 103 T HN 0.144 nan 8.240 nan 0.000 0.437 104 Y N 0.981 121.308 120.300 0.046 0.000 2.507 104 Y HA 0.464 5.012 4.550 -0.004 0.000 0.263 104 Y C 1.687 177.613 175.900 0.044 0.000 1.093 104 Y CA -0.100 58.026 58.100 0.045 0.000 1.285 104 Y CB -0.098 38.392 38.460 0.052 0.000 1.115 104 Y HN 0.427 nan 8.280 nan 0.000 0.533 105 G N 0.695 109.591 108.800 0.160 0.000 2.660 105 G HA2 -0.198 3.759 3.960 -0.004 0.000 0.247 105 G HA3 -0.198 3.759 3.960 -0.004 0.000 0.247 105 G C -2.089 172.883 174.900 0.121 0.000 1.328 105 G CA -0.417 44.749 45.100 0.111 0.000 0.884 105 G HN -0.010 nan 8.290 nan 0.000 0.531 106 P HA 0.028 nan 4.420 nan 0.000 0.219 106 P C 1.224 178.573 177.300 0.081 0.000 1.150 106 P CA 1.747 64.889 63.100 0.069 0.000 0.814 106 P CB -0.063 31.646 31.700 0.015 0.000 0.787 107 E N -0.069 120.180 120.200 0.082 0.000 2.333 107 E HA -0.039 4.308 4.350 -0.004 0.000 0.198 107 E C 2.139 178.801 176.600 0.103 0.000 1.007 107 E CA 1.252 57.705 56.400 0.089 0.000 0.845 107 E CB -1.257 28.492 29.700 0.082 0.000 0.766 107 E HN 0.320 nan 8.360 nan 0.000 0.507 108 G N 0.088 108.964 108.800 0.127 0.000 2.880 108 G HA2 0.054 4.012 3.960 -0.004 0.000 0.209 108 G HA3 0.054 4.012 3.960 -0.004 0.000 0.209 108 G C 0.162 175.130 174.900 0.113 0.000 1.157 108 G CA -0.168 44.990 45.100 0.095 0.000 0.779 108 G HN 0.076 nan 8.290 nan 0.000 0.539 109 V N 1.085 121.094 119.914 0.158 0.000 2.370 109 V HA 0.439 4.557 4.120 -0.004 0.000 0.283 109 V C -1.093 175.139 176.094 0.230 0.000 1.023 109 V CA -1.049 61.364 62.300 0.189 0.000 0.857 109 V CB 1.333 33.269 31.823 0.188 0.000 0.985 109 V HN 0.184 nan 8.190 nan 0.000 0.443 110 F N 4.034 124.034 119.950 0.082 0.000 2.371 110 F HA 0.704 5.229 4.527 -0.003 0.000 0.363 110 F C 0.887 176.705 175.800 0.030 0.000 1.122 110 F CA -0.496 57.538 58.000 0.057 0.000 1.129 110 F CB 1.336 40.344 39.000 0.013 0.000 1.173 110 F HN 0.514 nan 8.300 nan 0.000 0.489 111 G N 3.577 112.003 108.800 -0.623 0.000 4.144 111 G HA2 0.223 4.181 3.960 -0.004 0.000 0.297 111 G HA3 0.223 4.181 3.960 -0.004 0.000 0.297 111 G C 1.089 175.469 174.900 -0.867 0.000 1.090 111 G CA 0.156 44.864 45.100 -0.654 0.000 0.870 111 G HN 0.953 nan 8.290 nan 0.000 0.532 112 G N 0.298 108.258 108.800 -1.401 0.000 2.402 112 G HA2 -0.028 3.930 3.960 -0.004 0.000 0.216 112 G HA3 -0.028 3.930 3.960 -0.004 0.000 0.216 112 G C 1.024 175.559 174.900 -0.608 0.000 1.162 112 G CA 1.078 45.685 45.100 -0.821 0.000 0.777 112 G HN 0.925 nan 8.290 nan 0.000 0.539 113 S N -1.082 114.012 115.700 -1.011 0.000 3.405 113 S HA -0.251 4.217 4.470 -0.004 0.000 0.373 113 S C 0.049 174.430 174.600 -0.365 0.000 0.939 113 S CA 0.051 57.554 58.200 -1.162 0.000 1.295 113 S CB -1.512 61.316 63.200 -0.620 0.000 0.919 113 S HN 0.546 nan 8.310 nan 0.000 0.535 114 Y N 1.417 121.696 120.300 -0.036 0.000 2.425 114 Y HA 0.501 5.048 4.550 -0.004 0.000 0.331 114 Y C 0.842 177.075 175.900 0.554 0.000 1.157 114 Y CA 1.274 59.588 58.100 0.356 0.000 1.372 114 Y CB 0.711 39.457 38.460 0.477 0.000 1.253 114 Y HN 0.661 nan 8.280 nan 0.000 0.536 115 G N 3.784 112.335 108.800 -0.415 0.000 2.377 115 G HA2 -0.002 3.955 3.960 -0.004 0.000 0.297 115 G HA3 -0.002 3.955 3.960 -0.004 0.000 0.297 115 G C -1.244 173.677 174.900 0.035 0.000 1.547 115 G CA -0.967 44.118 45.100 -0.025 0.000 0.833 115 G HN 0.675 nan 8.290 nan 0.000 0.583 116 W N 2.174 123.494 121.300 0.033 0.000 3.047 116 W HA 0.160 4.818 4.660 -0.003 0.000 0.250 116 W C 2.221 178.774 176.519 0.057 0.000 1.314 116 W CA 0.736 58.140 57.345 0.098 0.000 1.540 116 W CB 0.156 29.698 29.460 0.137 0.000 1.127 116 W HN 1.068 nan 8.180 nan 0.000 0.679 117 K N -0.551 119.993 120.400 0.240 0.000 2.143 117 K HA -0.347 3.971 4.320 -0.004 0.000 0.106 117 K C 0.170 176.929 176.600 0.266 0.000 1.291 117 K CA 1.484 57.884 56.287 0.187 0.000 0.562 117 K CB -1.782 30.748 32.500 0.050 0.000 0.504 117 K HN -0.069 nan 8.250 nan 0.000 1.006 118 S N 1.349 117.091 115.700 0.071 0.000 2.546 118 S HA 0.533 5.000 4.470 -0.004 0.000 0.274 118 S C -2.804 171.599 174.600 -0.329 0.000 1.121 118 S CA -1.159 56.986 58.200 -0.090 0.000 0.887 118 S CB 2.267 65.475 63.200 0.014 0.000 1.094 118 S HN 0.481 nan 8.310 nan 0.000 0.474 119 P HA 0.512 nan 4.420 nan 0.000 0.271 119 P C -0.323 176.847 177.300 -0.217 0.000 1.233 119 P CA 0.207 63.052 63.100 -0.425 0.000 0.789 119 P CB 0.352 31.805 31.700 -0.411 0.000 0.951 120 G N 0.759 109.459 108.800 -0.166 0.000 2.760 120 G HA2 -0.039 3.919 3.960 -0.004 0.000 0.540 120 G HA3 -0.039 3.919 3.960 -0.004 0.000 0.540 120 G C 0.286 175.129 174.900 -0.095 0.000 1.476 120 G CA -0.762 44.297 45.100 -0.069 0.000 0.949 120 G HN 0.322 nan 8.290 nan 0.000 0.633 121 R N 1.248 121.695 120.500 -0.089 0.000 2.236 121 R HA 0.074 4.411 4.340 -0.004 0.000 0.208 121 R C 2.230 178.393 176.300 -0.228 0.000 1.036 121 R CA 0.972 56.932 56.100 -0.233 0.000 1.001 121 R CB -0.149 29.929 30.300 -0.371 0.000 0.896 121 R HN 0.546 nan 8.270 nan 0.000 0.464 122 L N 0.065 121.259 121.223 -0.049 0.000 2.185 122 L HA 0.102 4.440 4.340 -0.004 0.000 0.198 122 L C 0.964 177.685 176.870 -0.249 0.000 1.079 122 L CA 1.481 56.245 54.840 -0.126 0.000 0.780 122 L CB -0.426 41.466 42.059 -0.278 0.000 0.955 122 L HN 0.048 nan 8.230 nan 0.000 0.462 123 H N 1.410 120.488 119.070 0.013 0.000 2.983 123 H HA 0.212 4.766 4.556 -0.004 0.000 0.222 123 H C -0.271 175.063 175.328 0.010 0.000 1.828 123 H CA -0.171 55.897 56.048 0.034 0.000 1.309 123 H CB -1.091 28.686 29.762 0.024 0.000 1.644 123 H HN 0.262 nan 8.280 nan 0.000 0.561 124 N N 1.771 120.500 118.700 0.048 0.000 2.602 124 N HA -0.019 4.719 4.740 -0.004 0.000 0.238 124 N C 1.359 176.893 175.510 0.040 0.000 1.084 124 N CA -0.367 52.676 53.050 -0.010 0.000 0.952 124 N CB 0.067 38.498 38.487 -0.094 0.000 1.244 124 N HN 0.373 nan 8.380 nan 0.000 0.512 125 C N 1.364 120.724 119.300 0.100 0.000 2.413 125 C HA -0.131 4.326 4.460 -0.004 0.000 0.276 125 C C 2.502 177.524 174.990 0.054 0.000 1.248 125 C CA 1.400 60.524 59.018 0.178 0.000 1.742 125 C CB -1.571 26.309 27.740 0.234 0.000 2.017 125 C HN 0.716 nan 8.230 nan 0.000 0.481 126 T N -1.356 113.186 114.554 -0.021 0.000 2.777 126 T HA -0.151 4.197 4.350 -0.004 0.000 0.266 126 T C 1.648 176.226 174.700 -0.203 0.000 1.040 126 T CA 2.331 64.359 62.100 -0.120 0.000 1.141 126 T CB -1.257 67.559 68.868 -0.086 0.000 0.868 126 T HN 0.570 nan 8.240 nan 0.000 0.444 127 T N 1.896 116.357 114.554 -0.155 0.000 2.821 127 T HA 0.188 4.536 4.350 -0.004 0.000 0.267 127 T C 1.876 176.426 174.700 -0.250 0.000 1.046 127 T CA 0.895 62.882 62.100 -0.190 0.000 1.139 127 T CB -0.487 68.287 68.868 -0.157 0.000 0.871 127 T HN 0.290 nan 8.240 nan 0.000 0.454 128 L N 0.578 121.678 121.223 -0.205 0.000 2.083 128 L HA -0.074 4.263 4.340 -0.004 0.000 0.209 128 L C 2.396 178.893 176.870 -0.623 0.000 1.083 128 L CA 0.880 55.593 54.840 -0.211 0.000 0.752 128 L CB -0.478 41.648 42.059 0.112 0.000 0.899 128 L HN 0.266 nan 8.230 nan 0.000 0.433 129 L N -0.261 120.427 121.223 -0.892 0.000 2.093 129 L HA -0.163 4.175 4.340 -0.004 0.000 0.208 129 L C 2.630 178.986 176.870 -0.857 0.000 1.085 129 L CA 1.611 55.662 54.840 -1.315 0.000 0.755 129 L CB -0.393 41.122 42.059 -0.907 0.000 0.904 129 L HN 0.060 nan 8.230 nan 0.000 0.435 130 R N -0.835 119.269 120.500 -0.661 0.000 2.148 130 R HA -0.097 4.241 4.340 -0.004 0.000 0.223 130 R C 2.389 178.473 176.300 -0.361 0.000 1.088 130 R CA 1.089 56.787 56.100 -0.670 0.000 0.985 130 R CB -0.309 29.624 30.300 -0.610 0.000 0.880 130 R HN 0.405 nan 8.270 nan 0.000 0.451 131 R N 0.760 121.085 120.500 -0.293 0.000 2.070 131 R HA -0.112 4.225 4.340 -0.004 0.000 0.233 131 R C 2.311 178.597 176.300 -0.023 0.000 1.137 131 R CA 1.474 57.483 56.100 -0.152 0.000 0.945 131 R CB -0.156 30.002 30.300 -0.237 0.000 0.845 131 R HN 0.107 nan 8.270 nan 0.000 0.430 132 M N 0.902 120.475 119.600 -0.045 0.000 2.086 132 M HA -0.141 4.337 4.480 -0.004 0.000 0.261 132 M C 1.981 178.217 176.300 -0.107 0.000 1.067 132 M CA 1.659 56.919 55.300 -0.066 0.000 1.116 132 M CB -0.467 31.958 32.600 -0.292 0.000 1.348 132 M HN 0.309 nan 8.290 nan 0.000 0.407 133 L N -0.270 120.820 121.223 -0.222 0.000 2.127 133 L HA -0.213 4.125 4.340 -0.004 0.000 0.211 133 L C 2.235 179.147 176.870 0.070 0.000 1.089 133 L CA 1.563 56.339 54.840 -0.106 0.000 0.757 133 L CB -1.078 40.842 42.059 -0.233 0.000 0.899 133 L HN 0.321 nan 8.230 nan 0.000 0.434 134 T N 0.202 114.802 114.554 0.076 0.000 2.788 134 T HA -0.143 4.204 4.350 -0.004 0.000 0.268 134 T C 1.930 176.673 174.700 0.071 0.000 1.044 134 T CA 1.117 63.289 62.100 0.120 0.000 1.139 134 T CB -0.173 68.749 68.868 0.089 0.000 0.867 134 T HN 0.237 nan 8.240 nan 0.000 0.454 135 L N 0.583 121.841 121.223 0.058 0.000 2.201 135 L HA 0.057 4.394 4.340 -0.004 0.000 0.212 135 L C 2.767 179.668 176.870 0.052 0.000 1.105 135 L CA 0.813 55.688 54.840 0.059 0.000 0.775 135 L CB -0.521 41.586 42.059 0.079 0.000 0.913 135 L HN 0.230 nan 8.230 nan 0.000 0.440 136 A N -0.707 122.145 122.820 0.052 0.000 2.238 136 A HA 0.315 4.633 4.320 -0.004 0.000 0.208 136 A C 1.721 179.344 177.584 0.065 0.000 1.177 136 A CA 0.935 53.007 52.037 0.059 0.000 0.804 136 A CB -0.148 18.890 19.000 0.062 0.000 0.823 136 A HN 0.511 nan 8.150 nan 0.000 0.482 137 G N -3.215 105.623 108.800 0.063 0.000 2.367 137 G HA2 0.409 4.367 3.960 -0.004 0.000 0.181 137 G HA3 0.409 4.367 3.960 -0.004 0.000 0.181 137 G C 0.993 175.923 174.900 0.050 0.000 1.000 137 G CA 0.337 45.469 45.100 0.053 0.000 0.693 137 G HN 2.288 nan 8.290 nan 0.000 0.480 138 G N -1.111 107.739 108.800 0.084 0.000 2.381 138 G HA2 0.633 4.590 3.960 -0.004 0.000 0.672 138 G HA3 0.633 4.590 3.960 -0.004 0.000 0.672 138 G C -0.726 174.254 174.900 0.134 0.000 1.324 138 G CA 0.092 45.220 45.100 0.046 0.000 0.975 138 G HN 2.014 nan 8.290 nan 0.000 0.593 139 Y N -3.345 116.938 120.300 -0.028 0.000 2.713 139 Y HA 0.741 5.288 4.550 -0.004 0.000 0.335 139 Y C -0.624 175.254 175.900 -0.036 0.000 1.222 139 Y CA -1.543 56.534 58.100 -0.039 0.000 1.061 139 Y CB 0.813 39.208 38.460 -0.108 0.000 1.314 139 Y HN 0.844 nan 8.280 nan 0.000 0.453 140 V N 2.746 122.741 119.914 0.135 0.000 2.407 140 V HA 0.382 4.500 4.120 -0.004 0.000 0.278 140 V C -0.417 175.729 176.094 0.087 0.000 1.037 140 V CA -0.453 61.909 62.300 0.102 0.000 0.900 140 V CB 0.976 32.949 31.823 0.251 0.000 0.983 140 V HN 0.777 nan 8.190 nan 0.000 0.459 141 N N 2.380 121.111 118.700 0.051 0.000 2.483 141 N HA 0.673 5.411 4.740 -0.004 0.000 0.285 141 N C -0.048 175.500 175.510 0.063 0.000 1.210 141 N CA -0.061 53.009 53.050 0.033 0.000 0.931 141 N CB 2.111 40.668 38.487 0.117 0.000 1.220 141 N HN 0.784 nan 8.380 nan 0.000 0.542 142 G N -1.069 107.748 108.800 0.028 0.000 2.417 142 G HA2 0.723 4.681 3.960 -0.004 0.000 0.334 142 G HA3 0.723 4.681 3.960 -0.004 0.000 0.334 142 G C -1.350 173.572 174.900 0.037 0.000 1.150 142 G CA -0.434 44.730 45.100 0.107 0.000 0.923 142 G HN 0.613 nan 8.290 nan 0.000 0.485 143 A N 0.013 122.820 122.820 -0.022 0.000 2.380 143 A HA 0.985 5.302 4.320 -0.004 0.000 0.315 143 A C 0.739 178.283 177.584 -0.067 0.000 1.101 143 A CA 0.440 52.443 52.037 -0.056 0.000 0.771 143 A CB 1.066 19.983 19.000 -0.137 0.000 1.287 143 A HN 2.642 nan 8.150 nan 0.000 0.436 144 G N 1.111 109.899 108.800 -0.020 0.000 2.645 144 G HA2 0.188 4.146 3.960 -0.004 0.000 0.246 144 G HA3 0.188 4.146 3.960 -0.004 0.000 0.246 144 G C -0.451 174.433 174.900 -0.026 0.000 1.322 144 G CA 0.992 46.083 45.100 -0.014 0.000 0.898 144 G HN 2.168 nan 8.290 nan 0.000 0.573 145 D N -3.743 116.620 120.400 -0.062 0.000 2.677 145 D HA 0.549 5.187 4.640 -0.004 0.000 0.298 145 D C 0.171 176.394 176.300 -0.130 0.000 1.250 145 D CA -0.742 53.212 54.000 -0.077 0.000 0.888 145 D CB 0.128 41.040 40.800 0.186 0.000 1.397 145 D HN 0.326 nan 8.370 nan 0.000 0.461 146 Y N -0.364 119.835 120.300 -0.168 0.000 2.523 146 Y HA 0.148 4.695 4.550 -0.004 0.000 0.279 146 Y C 2.079 178.037 175.900 0.097 0.000 1.139 146 Y CA 0.693 58.765 58.100 -0.046 0.000 1.296 146 Y CB 0.258 38.687 38.460 -0.052 0.000 1.045 146 Y HN 0.330 nan 8.280 nan 0.000 0.538 147 S N -1.356 114.505 115.700 0.269 0.000 2.404 147 S HA -0.062 4.406 4.470 -0.004 0.000 0.223 147 S C 1.489 176.050 174.600 -0.065 0.000 1.040 147 S CA 1.327 59.678 58.200 0.252 0.000 0.957 147 S CB -0.320 63.063 63.200 0.305 0.000 0.826 147 S HN 0.482 nan 8.310 nan 0.000 0.491 148 T N -1.099 113.300 114.554 -0.258 0.000 3.380 148 T HA 0.443 4.791 4.350 -0.004 0.000 0.289 148 T C 1.486 176.027 174.700 -0.265 0.000 1.012 148 T CA 0.183 61.988 62.100 -0.492 0.000 0.944 148 T CB 0.418 68.700 68.868 -0.977 0.000 1.172 148 T HN 0.210 nan 8.240 nan 0.000 0.502 149 G N 1.963 110.682 108.800 -0.135 0.000 2.556 149 G HA2 -0.175 3.783 3.960 -0.004 0.000 0.220 149 G HA3 -0.175 3.783 3.960 -0.004 0.000 0.220 149 G C 1.559 176.422 174.900 -0.061 0.000 1.156 149 G CA 1.066 46.108 45.100 -0.096 0.000 0.766 149 G HN 0.782 nan 8.290 nan 0.000 0.583 150 A N 0.743 123.532 122.820 -0.052 0.000 1.861 150 A HA 0.507 4.825 4.320 -0.004 0.000 0.212 150 A C 2.842 180.387 177.584 -0.066 0.000 1.199 150 A CA 1.916 53.939 52.037 -0.023 0.000 0.613 150 A CB -0.878 18.141 19.000 0.031 0.000 0.846 150 A HN 0.893 nan 8.150 nan 0.000 0.446 151 A N 0.694 123.443 122.820 -0.118 0.000 1.908 151 A HA -0.259 4.058 4.320 -0.004 0.000 0.218 151 A C 2.199 179.640 177.584 -0.238 0.000 1.181 151 A CA 1.939 53.861 52.037 -0.192 0.000 0.627 151 A CB -0.822 17.952 19.000 -0.378 0.000 0.818 151 A HN 0.782 nan 8.150 nan 0.000 0.445 152 Q N -0.730 118.907 119.800 -0.272 0.000 2.291 152 Q HA -0.038 4.300 4.340 -0.004 0.000 0.205 152 Q C 1.531 177.441 176.000 -0.151 0.000 0.970 152 Q CA 1.665 57.322 55.803 -0.243 0.000 0.876 152 Q CB -0.398 28.194 28.738 -0.243 0.000 0.935 152 Q HN 0.375 nan 8.270 nan 0.000 0.455 153 V N 0.402 120.248 119.914 -0.113 0.000 2.599 153 V HA -0.107 4.011 4.120 -0.004 0.000 0.245 153 V C 1.983 178.019 176.094 -0.097 0.000 1.046 153 V CA 0.894 63.134 62.300 -0.099 0.000 1.065 153 V CB -0.097 31.675 31.823 -0.085 0.000 0.703 153 V HN 0.322 nan 8.190 nan 0.000 0.464 154 I N -0.747 119.749 120.570 -0.123 0.000 2.584 154 I HA -0.060 4.107 4.170 -0.004 0.000 0.255 154 I C 2.195 178.166 176.117 -0.243 0.000 1.145 154 I CA 1.399 62.584 61.300 -0.193 0.000 1.462 154 I CB -0.176 37.663 38.000 -0.268 0.000 1.102 154 I HN 0.086 nan 8.210 nan 0.000 0.433 155 M N 1.020 120.502 119.600 -0.196 0.000 2.080 155 M HA -0.103 4.375 4.480 -0.004 0.000 0.260 155 M C -0.226 175.974 176.300 -0.167 0.000 1.068 155 M CA 2.044 57.245 55.300 -0.166 0.000 1.109 155 M CB -2.527 30.001 32.600 -0.120 0.000 1.342 155 M HN 0.099 nan 8.290 nan 0.000 0.405 156 P HA -0.149 nan 4.420 nan 0.000 0.218 156 P C 1.265 178.383 177.300 -0.303 0.000 1.146 156 P CA 1.317 64.270 63.100 -0.246 0.000 0.813 156 P CB -0.366 31.152 31.700 -0.302 0.000 0.778 157 H N -1.814 117.120 119.070 -0.227 0.000 2.512 157 H HA 0.082 4.635 4.556 -0.004 0.000 0.279 157 H C 1.683 176.863 175.328 -0.247 0.000 0.999 157 H CA 0.883 56.781 56.048 -0.250 0.000 1.283 157 H CB -0.027 29.524 29.762 -0.352 0.000 1.421 157 H HN 0.054 nan 8.280 nan 0.000 0.554 158 V N 0.304 120.117 119.914 -0.168 0.000 2.602 158 V HA -0.079 4.039 4.120 -0.004 0.000 0.235 158 V C 2.435 178.501 176.094 -0.045 0.000 1.087 158 V CA 1.131 63.349 62.300 -0.135 0.000 1.117 158 V CB -0.242 31.436 31.823 -0.242 0.000 0.820 158 V HN 0.296 nan 8.190 nan 0.000 0.490 159 V N -1.941 117.951 119.914 -0.036 0.000 3.644 159 V HA 0.685 4.803 4.120 -0.004 0.000 0.267 159 V C 1.440 177.536 176.094 0.003 0.000 1.277 159 V CA 1.142 63.456 62.300 0.023 0.000 1.096 159 V CB -0.000 31.912 31.823 0.148 0.000 0.828 159 V HN 0.784 nan 8.190 nan 0.000 0.446 160 G N 0.784 109.558 108.800 -0.043 0.000 2.278 160 G HA2 -0.144 3.814 3.960 -0.004 0.000 0.210 160 G HA3 -0.144 3.814 3.960 -0.004 0.000 0.210 160 G C 0.359 175.217 174.900 -0.069 0.000 1.000 160 G CA 0.557 45.620 45.100 -0.062 0.000 0.635 160 G HN 1.222 nan 8.290 nan 0.000 0.495 161 T N -2.051 112.474 114.554 -0.049 0.000 2.838 161 T HA 0.681 5.029 4.350 -0.004 0.000 0.292 161 T C 1.046 175.711 174.700 -0.059 0.000 1.113 161 T CA -0.027 62.041 62.100 -0.053 0.000 1.008 161 T CB 1.659 70.508 68.868 -0.031 0.000 1.259 161 T HN 0.513 nan 8.240 nan 0.000 0.520 162 L N 1.074 122.257 121.223 -0.066 0.000 2.013 162 L HA -0.048 4.289 4.340 -0.004 0.000 0.212 162 L C 2.220 179.035 176.870 -0.092 0.000 1.073 162 L CA 2.985 57.767 54.840 -0.097 0.000 0.753 162 L CB -1.063 40.954 42.059 -0.070 0.000 0.890 162 L HN 1.166 nan 8.230 nan 0.000 0.432 163 E N -2.176 118.012 120.200 -0.019 0.000 5.086 163 E HA -0.300 4.047 4.350 -0.004 0.000 0.187 163 E C 1.526 178.147 176.600 0.034 0.000 1.056 163 E CA 1.781 58.210 56.400 0.048 0.000 2.105 163 E CB -1.654 28.124 29.700 0.130 0.000 1.787 163 E HN 0.365 nan 8.360 nan 0.000 0.445 164 V N -1.507 118.336 119.914 -0.119 0.000 2.548 164 V HA 0.014 4.131 4.120 -0.004 0.000 0.249 164 V C 1.438 177.559 176.094 0.045 0.000 1.055 164 V CA 1.953 64.160 62.300 -0.155 0.000 1.065 164 V CB -0.608 30.789 31.823 -0.710 0.000 0.681 164 V HN 0.299 nan 8.190 nan 0.000 0.462 165 Y N 1.480 121.876 120.300 0.160 0.000 2.764 165 Y HA 0.648 5.196 4.550 -0.004 0.000 0.350 165 Y C 0.309 176.391 175.900 0.304 0.000 0.982 165 Y CA -1.589 56.673 58.100 0.271 0.000 1.431 165 Y CB -0.437 38.075 38.460 0.087 0.000 1.326 165 Y HN 0.480 nan 8.280 nan 0.000 0.550 166 E N 0.005 120.439 120.200 0.390 0.000 2.317 166 E HA 0.314 4.662 4.350 -0.004 0.000 0.270 166 E C -0.995 175.653 176.600 0.081 0.000 0.885 166 E CA -1.458 55.092 56.400 0.249 0.000 0.760 166 E CB 1.957 31.717 29.700 0.099 0.000 1.227 166 E HN 0.024 nan 8.360 nan 0.000 0.434 167 Q N 2.214 122.036 119.800 0.035 0.000 2.349 167 Q HA -0.046 4.292 4.340 -0.004 0.000 0.287 167 Q C -0.673 175.248 176.000 -0.131 0.000 1.044 167 Q CA 0.588 56.289 55.803 -0.169 0.000 0.918 167 Q CB 0.555 29.181 28.738 -0.186 0.000 1.242 167 Q HN 0.251 nan 8.270 nan 0.000 0.405 168 Q N 1.925 121.546 119.800 -0.297 0.000 2.180 168 Q HA 0.323 4.661 4.340 -0.004 0.000 0.241 168 Q C -0.391 175.592 176.000 -0.030 0.000 0.970 168 Q CA -0.538 55.066 55.803 -0.331 0.000 0.919 168 Q CB 0.653 28.791 28.738 -1.000 0.000 1.222 168 Q HN 0.699 nan 8.270 nan 0.000 0.482 169 T N 1.569 116.076 114.554 -0.078 0.000 2.908 169 T HA 0.197 4.545 4.350 -0.004 0.000 0.301 169 T C 0.153 174.880 174.700 0.045 0.000 1.019 169 T CA 0.011 62.087 62.100 -0.039 0.000 1.152 169 T CB 0.118 68.938 68.868 -0.081 0.000 0.966 169 T HN 0.583 nan 8.240 nan 0.000 0.540 170 A N 3.492 126.380 122.820 0.115 0.000 2.520 170 A HA 0.101 4.418 4.320 -0.004 0.000 0.235 170 A C 1.034 178.700 177.584 0.136 0.000 1.065 170 A CA -0.136 51.980 52.037 0.133 0.000 0.764 170 A CB 0.011 19.123 19.000 0.187 0.000 1.002 170 A HN 1.111 nan 8.150 nan 0.000 0.502 171 W N 1.531 122.946 121.300 0.192 0.000 2.317 171 W HA -0.140 4.517 4.660 -0.004 0.000 0.318 171 W C -0.593 175.987 176.519 0.102 0.000 1.227 171 W CA 2.135 59.570 57.345 0.151 0.000 1.269 171 W CB -1.177 28.374 29.460 0.151 0.000 1.155 171 W HN 0.595 nan 8.180 nan 0.000 0.484 172 P HA -0.212 nan 4.420 nan 0.000 0.216 172 P C 1.574 178.968 177.300 0.158 0.000 1.153 172 P CA 1.966 65.194 63.100 0.214 0.000 0.858 172 P CB -0.422 31.383 31.700 0.174 0.000 0.789 173 V N -0.232 119.760 119.914 0.131 0.000 2.332 173 V HA -0.241 3.876 4.120 -0.004 0.000 0.248 173 V C 2.632 178.764 176.094 0.062 0.000 1.055 173 V CA 1.617 63.962 62.300 0.076 0.000 1.038 173 V CB -1.351 30.498 31.823 0.043 0.000 0.651 173 V HN 0.054 nan 8.190 nan 0.000 0.450 174 L N 0.141 121.410 121.223 0.077 0.000 2.012 174 L HA -0.213 4.125 4.340 -0.004 0.000 0.210 174 L C 2.831 179.751 176.870 0.084 0.000 1.073 174 L CA 1.786 56.657 54.840 0.053 0.000 0.748 174 L CB -1.017 41.069 42.059 0.045 0.000 0.891 174 L HN 0.385 nan 8.230 nan 0.000 0.431 175 A N -0.016 122.887 122.820 0.138 0.000 1.892 175 A HA -0.214 4.103 4.320 -0.004 0.000 0.218 175 A C 2.149 179.778 177.584 0.076 0.000 1.188 175 A CA 1.834 53.941 52.037 0.117 0.000 0.631 175 A CB -0.378 18.702 19.000 0.134 0.000 0.822 175 A HN 0.439 nan 8.150 nan 0.000 0.447 176 E N -0.243 119.997 120.200 0.067 0.000 2.285 176 E HA -0.040 4.308 4.350 -0.004 0.000 0.194 176 E C 1.109 177.727 176.600 0.031 0.000 0.997 176 E CA 0.761 57.189 56.400 0.047 0.000 0.845 176 E CB -0.258 29.470 29.700 0.046 0.000 0.782 176 E HN 0.699 nan 8.360 nan 0.000 0.491 177 N N 0.158 118.872 118.700 0.023 0.000 2.460 177 N HA 0.012 4.750 4.740 -0.004 0.000 0.193 177 N C 0.211 175.715 175.510 -0.010 0.000 1.080 177 N CA 0.232 53.284 53.050 0.004 0.000 0.869 177 N CB 0.482 38.966 38.487 -0.005 0.000 1.201 177 N HN -0.044 nan 8.380 nan 0.000 0.457 178 T N 1.580 116.124 114.554 -0.017 0.000 2.916 178 T HA 0.085 4.432 4.350 -0.004 0.000 0.303 178 T C 1.127 175.807 174.700 -0.032 0.000 1.025 178 T CA 0.479 62.554 62.100 -0.042 0.000 1.142 178 T CB 1.435 70.261 68.868 -0.069 0.000 0.947 178 T HN 0.146 nan 8.240 nan 0.000 0.544 179 E N 1.202 121.379 120.200 -0.038 0.000 2.290 179 E HA 0.149 4.497 4.350 -0.004 0.000 0.199 179 E C -0.100 176.481 176.600 -0.031 0.000 0.912 179 E CA 0.206 56.593 56.400 -0.021 0.000 0.924 179 E CB 0.692 30.389 29.700 -0.006 0.000 0.901 179 E HN 0.283 nan 8.360 nan 0.000 0.487 180 V N 2.127 122.007 119.914 -0.055 0.000 2.531 180 V HA 0.311 4.429 4.120 -0.004 0.000 0.301 180 V C -0.859 175.137 176.094 -0.163 0.000 1.034 180 V CA -0.695 61.561 62.300 -0.073 0.000 0.865 180 V CB 1.634 33.447 31.823 -0.016 0.000 0.995 180 V HN 0.119 nan 8.190 nan 0.000 0.424 181 M N 6.548 126.026 119.600 -0.204 0.000 2.101 181 M HA 0.610 5.088 4.480 -0.004 0.000 0.340 181 M C -1.128 174.958 176.300 -0.357 0.000 1.057 181 M CA -0.160 54.938 55.300 -0.336 0.000 0.984 181 M CB 1.355 33.724 32.600 -0.385 0.000 1.560 181 M HN 0.392 nan 8.290 nan 0.000 0.435 182 V N 6.352 126.030 119.914 -0.393 0.000 2.357 182 V HA 0.437 4.555 4.120 -0.004 0.000 0.284 182 V C -0.922 175.025 176.094 -0.246 0.000 1.018 182 V CA -0.482 61.671 62.300 -0.244 0.000 0.841 182 V CB 0.889 32.592 31.823 -0.200 0.000 0.991 182 V HN 0.644 nan 8.190 nan 0.000 0.437 183 F N 4.409 124.389 119.950 0.049 0.000 2.334 183 F HA 0.336 4.860 4.527 -0.004 0.000 0.365 183 F C 0.056 175.957 175.800 0.169 0.000 1.124 183 F CA -0.477 57.591 58.000 0.114 0.000 1.166 183 F CB 0.750 39.815 39.000 0.109 0.000 1.355 183 F HN 0.543 nan 8.300 nan 0.000 0.532 184 W N 5.050 126.454 121.300 0.173 0.000 2.317 184 W HA 0.493 5.150 4.660 -0.004 0.000 0.327 184 W C 0.214 176.810 176.519 0.127 0.000 1.036 184 W CA -1.077 56.352 57.345 0.139 0.000 1.419 184 W CB 0.789 30.306 29.460 0.096 0.000 1.253 184 W HN 0.715 nan 8.180 nan 0.000 0.392 185 A N 4.129 127.197 122.820 0.414 0.000 2.876 185 A HA 0.125 4.443 4.320 -0.004 0.000 0.287 185 A C -0.144 177.538 177.584 0.164 0.000 1.455 185 A CA 1.218 53.435 52.037 0.299 0.000 0.744 185 A CB -1.783 17.434 19.000 0.360 0.000 1.041 185 A HN 1.521 nan 8.150 nan 0.000 0.500 186 A N -0.497 122.414 122.820 0.151 0.000 2.488 186 A HA 0.686 5.003 4.320 -0.004 0.000 0.298 186 A C -0.691 176.923 177.584 0.051 0.000 1.044 186 A CA 0.268 52.324 52.037 0.033 0.000 0.693 186 A CB 1.259 20.291 19.000 0.054 0.000 1.272 186 A HN 0.881 nan 8.150 nan 0.000 0.402 187 D N 3.122 123.527 120.400 0.009 0.000 2.441 187 D HA 0.351 4.989 4.640 -0.004 0.000 0.287 187 D C -1.716 174.554 176.300 -0.051 0.000 1.198 187 D CA -1.714 52.277 54.000 -0.014 0.000 0.894 187 D CB 1.310 42.149 40.800 0.065 0.000 1.070 187 D HN 0.171 nan 8.370 nan 0.000 0.499 188 P HA -0.086 nan 4.420 nan 0.000 0.218 188 P C 1.853 179.012 177.300 -0.235 0.000 1.149 188 P CA 0.496 63.522 63.100 -0.123 0.000 0.817 188 P CB 0.799 32.417 31.700 -0.137 0.000 0.785 189 I N 0.299 120.728 120.570 -0.235 0.000 2.226 189 I HA -0.238 3.930 4.170 -0.004 0.000 0.245 189 I C 2.783 178.832 176.117 -0.113 0.000 1.100 189 I CA 1.625 62.817 61.300 -0.180 0.000 1.374 189 I CB -0.394 37.552 38.000 -0.090 0.000 1.057 189 I HN -0.032 nan 8.210 nan 0.000 0.413 190 K N 0.626 120.935 120.400 -0.152 0.000 2.031 190 K HA -0.164 4.154 4.320 -0.004 0.000 0.205 190 K C 2.006 178.411 176.600 -0.326 0.000 1.049 190 K CA 1.989 58.006 56.287 -0.449 0.000 0.939 190 K CB -0.127 32.236 32.500 -0.228 0.000 0.717 190 K HN 0.372 nan 8.250 nan 0.000 0.438 191 T N -2.143 112.329 114.554 -0.136 0.000 3.088 191 T HA 0.098 4.445 4.350 -0.004 0.000 0.259 191 T C 1.518 176.208 174.700 -0.018 0.000 1.122 191 T CA 0.648 62.719 62.100 -0.047 0.000 1.095 191 T CB 0.198 69.108 68.868 0.070 0.000 0.930 191 T HN 0.017 nan 8.240 nan 0.000 0.508 192 S N 1.356 117.027 115.700 -0.048 0.000 2.593 192 S HA 0.121 4.589 4.470 -0.004 0.000 0.217 192 S C 1.826 176.535 174.600 0.182 0.000 0.966 192 S CA -0.182 58.017 58.200 -0.002 0.000 0.914 192 S CB -0.188 62.859 63.200 -0.256 0.000 0.776 192 S HN 0.588 nan 8.310 nan 0.000 0.523 193 Q N 0.511 120.385 119.800 0.123 0.000 2.167 193 Q HA -0.026 4.311 4.340 -0.004 0.000 0.202 193 Q C 0.513 176.666 176.000 0.254 0.000 0.970 193 Q CA 0.810 56.702 55.803 0.147 0.000 0.855 193 Q CB -0.196 28.560 28.738 0.031 0.000 0.911 193 Q HN 0.677 nan 8.270 nan 0.000 0.438 194 I N -4.098 116.525 120.570 0.088 0.000 3.023 194 I HA 0.760 4.928 4.170 -0.004 0.000 0.312 194 I C -0.017 176.158 176.117 0.097 0.000 1.056 194 I CA -1.042 60.259 61.300 0.001 0.000 1.033 194 I CB 1.943 39.744 38.000 -0.330 0.000 1.233 194 I HN -0.168 nan 8.210 nan 0.000 0.462 195 G N 0.631 109.530 108.800 0.166 0.000 2.642 195 G HA2 0.254 4.212 3.960 -0.004 0.000 0.293 195 G HA3 0.254 4.212 3.960 -0.004 0.000 0.293 195 G C -0.698 174.452 174.900 0.416 0.000 1.341 195 G CA -0.633 44.591 45.100 0.206 0.000 0.916 195 G HN 0.963 nan 8.290 nan 0.000 0.474 196 W N 1.369 122.704 121.300 0.058 0.000 2.409 196 W HA 0.045 4.703 4.660 -0.004 0.000 0.299 196 W C 0.551 177.074 176.519 0.006 0.000 1.203 196 W CA 1.899 59.145 57.345 -0.166 0.000 1.298 196 W CB 0.040 29.295 29.460 -0.341 0.000 1.127 196 W HN 0.429 nan 8.180 nan 0.000 0.528 197 V N -0.071 119.865 119.914 0.036 0.000 3.406 197 V HA 0.342 4.460 4.120 -0.004 0.000 0.305 197 V C 0.674 176.760 176.094 -0.013 0.000 1.136 197 V CA -1.415 60.843 62.300 -0.070 0.000 1.011 197 V CB 0.498 32.301 31.823 -0.034 0.000 1.221 197 V HN -0.067 nan 8.190 nan 0.000 0.454 198 I N 2.724 123.269 120.570 -0.042 0.000 2.742 198 I HA 0.191 4.359 4.170 -0.004 0.000 0.287 198 I C -2.075 174.038 176.117 -0.007 0.000 1.186 198 I CA -1.463 59.822 61.300 -0.024 0.000 1.417 198 I CB -0.567 37.386 38.000 -0.077 0.000 1.377 198 I HN 0.578 nan 8.210 nan 0.000 0.556 199 P HA 0.161 nan 4.420 nan 0.000 0.282 199 P C 0.195 177.416 177.300 -0.131 0.000 1.249 199 P CA -0.256 62.818 63.100 -0.044 0.000 0.806 199 P CB 1.190 32.870 31.700 -0.032 0.000 0.984 200 E N 1.888 122.077 120.200 -0.018 0.000 2.460 200 E HA -0.087 4.261 4.350 -0.004 0.000 0.200 200 E C -0.199 176.479 176.600 0.130 0.000 1.011 200 E CA 0.196 56.642 56.400 0.076 0.000 0.912 200 E CB -0.847 28.956 29.700 0.173 0.000 0.953 200 E HN 0.652 nan 8.360 nan 0.000 0.494 201 H N -0.694 118.528 119.070 0.255 0.000 2.886 201 H HA -0.113 4.440 4.556 -0.004 0.000 0.294 201 H C 1.125 176.621 175.328 0.281 0.000 1.246 201 H CA -0.226 56.014 56.048 0.321 0.000 1.142 201 H CB -1.599 28.369 29.762 0.343 0.000 1.358 201 H HN 0.425 nan 8.280 nan 0.000 0.406 202 G N 0.225 109.203 108.800 0.297 0.000 2.448 202 G HA2 -0.091 3.867 3.960 -0.004 0.000 0.219 202 G HA3 -0.091 3.867 3.960 -0.004 0.000 0.219 202 G C 1.736 176.687 174.900 0.086 0.000 1.127 202 G CA 0.734 45.969 45.100 0.224 0.000 0.766 202 G HN 0.600 nan 8.290 nan 0.000 0.552 203 A N 0.220 123.058 122.820 0.029 0.000 1.972 203 A HA 0.035 4.352 4.320 -0.004 0.000 0.219 203 A C 2.110 179.318 177.584 -0.627 0.000 1.169 203 A CA 1.347 53.205 52.037 -0.299 0.000 0.635 203 A CB -0.547 18.321 19.000 -0.220 0.000 0.810 203 A HN 0.393 nan 8.150 nan 0.000 0.446 204 Y N 0.258 120.390 120.300 -0.280 0.000 2.097 204 Y HA -0.136 4.412 4.550 -0.004 0.000 0.282 204 Y C -0.034 175.701 175.900 -0.275 0.000 1.152 204 Y CA 2.230 60.128 58.100 -0.337 0.000 1.136 204 Y CB -1.825 36.446 38.460 -0.316 0.000 0.975 204 Y HN 0.303 nan 8.280 nan 0.000 0.498 205 P HA -0.126 nan 4.420 nan 0.000 0.215 205 P C 1.811 178.997 177.300 -0.189 0.000 1.153 205 P CA 2.157 65.221 63.100 -0.059 0.000 0.853 205 P CB -0.317 31.383 31.700 -0.000 0.000 0.788 206 G N 0.148 108.647 108.800 -0.503 0.000 2.446 206 G HA2 -0.242 3.716 3.960 -0.004 0.000 0.217 206 G HA3 -0.242 3.716 3.960 -0.004 0.000 0.217 206 G C 1.489 176.022 174.900 -0.612 0.000 1.168 206 G CA 0.716 45.316 45.100 -0.833 0.000 0.771 206 G HN 0.225 nan 8.290 nan 0.000 0.551 207 L N 0.142 120.983 121.223 -0.637 0.000 2.131 207 L HA -0.049 4.289 4.340 -0.004 0.000 0.210 207 L C 2.822 179.840 176.870 0.247 0.000 1.092 207 L CA 1.228 56.019 54.840 -0.082 0.000 0.759 207 L CB -0.356 41.591 42.059 -0.187 0.000 0.903 207 L HN 0.299 nan 8.230 nan 0.000 0.435 208 E N 0.098 120.376 120.200 0.130 0.000 2.158 208 E HA -0.113 4.235 4.350 -0.004 0.000 0.191 208 E C 2.353 179.061 176.600 0.180 0.000 0.982 208 E CA 0.854 57.408 56.400 0.257 0.000 0.823 208 E CB -0.120 29.692 29.700 0.186 0.000 0.766 208 E HN 0.480 nan 8.360 nan 0.000 0.468 209 A N 1.382 124.268 122.820 0.110 0.000 1.933 209 A HA -0.148 4.170 4.320 -0.004 0.000 0.218 209 A C 2.166 179.837 177.584 0.146 0.000 1.175 209 A CA 0.936 53.039 52.037 0.110 0.000 0.628 209 A CB -0.531 18.525 19.000 0.093 0.000 0.814 209 A HN 0.123 nan 8.150 nan 0.000 0.444 210 L N -0.769 120.574 121.223 0.199 0.000 2.017 210 L HA -0.204 4.134 4.340 -0.004 0.000 0.208 210 L C 2.672 179.675 176.870 0.221 0.000 1.073 210 L CA 2.104 57.072 54.840 0.213 0.000 0.745 210 L CB -0.569 41.647 42.059 0.263 0.000 0.894 210 L HN 0.484 nan 8.230 nan 0.000 0.432 211 K N 0.333 120.930 120.400 0.329 0.000 2.097 211 K HA -0.167 4.151 4.320 -0.004 0.000 0.206 211 K C 2.113 178.768 176.600 0.093 0.000 1.049 211 K CA 1.317 57.730 56.287 0.210 0.000 0.933 211 K CB -0.045 32.461 32.500 0.010 0.000 0.717 211 K HN 0.260 nan 8.250 nan 0.000 0.442 212 A N 1.277 124.153 122.820 0.094 0.000 1.930 212 A HA -0.118 4.200 4.320 -0.004 0.000 0.217 212 A C 1.926 179.545 177.584 0.058 0.000 1.175 212 A CA 1.252 53.326 52.037 0.062 0.000 0.627 212 A CB -0.330 18.709 19.000 0.065 0.000 0.815 212 A HN 0.132 nan 8.150 nan 0.000 0.443 213 K N -1.264 119.179 120.400 0.072 0.000 2.280 213 K HA -0.061 4.257 4.320 -0.004 0.000 0.202 213 K C 1.413 178.042 176.600 0.047 0.000 1.047 213 K CA 0.952 57.275 56.287 0.059 0.000 0.942 213 K CB -0.517 32.023 32.500 0.067 0.000 0.739 213 K HN 0.833 nan 8.250 nan 0.000 0.457 214 G N 0.826 109.655 108.800 0.049 0.000 2.179 214 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.260 214 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.260 214 G C 0.342 175.259 174.900 0.027 0.000 0.977 214 G CA 0.706 45.828 45.100 0.036 0.000 0.641 214 G HN 0.310 nan 8.290 nan 0.000 0.533 215 T N 0.919 115.488 114.554 0.024 0.000 2.939 215 T HA 0.255 4.603 4.350 -0.004 0.000 0.312 215 T C 0.696 175.382 174.700 -0.024 0.000 1.064 215 T CA 1.104 63.202 62.100 -0.003 0.000 1.136 215 T CB 0.872 69.731 68.868 -0.015 0.000 1.035 215 T HN 0.640 nan 8.240 nan 0.000 0.538 216 K N 2.597 122.980 120.400 -0.028 0.000 2.297 216 K HA 0.400 4.718 4.320 -0.004 0.000 0.286 216 K C -1.105 175.448 176.600 -0.079 0.000 1.053 216 K CA -0.559 55.710 56.287 -0.029 0.000 0.940 216 K CB 0.522 33.024 32.500 0.003 0.000 1.019 216 K HN 0.306 nan 8.250 nan 0.000 0.475 217 V N 6.718 126.571 119.914 -0.102 0.000 2.448 217 V HA 0.401 4.519 4.120 -0.004 0.000 0.295 217 V C -0.324 175.754 176.094 -0.028 0.000 1.025 217 V CA -0.763 61.440 62.300 -0.162 0.000 0.859 217 V CB 1.380 32.940 31.823 -0.438 0.000 0.988 217 V HN 0.724 nan 8.190 nan 0.000 0.431 218 I N 5.150 125.720 120.570 0.000 0.000 2.406 218 I HA 0.475 4.643 4.170 -0.004 0.000 0.290 218 I C -0.594 175.580 176.117 0.096 0.000 0.999 218 I CA -0.745 60.593 61.300 0.062 0.000 1.124 218 I CB 2.072 40.128 38.000 0.093 0.000 1.289 218 I HN 0.252 nan 8.210 nan 0.000 0.441 219 V N 7.584 127.579 119.914 0.134 0.000 2.370 219 V HA 0.417 4.534 4.120 -0.004 0.000 0.283 219 V C 0.067 176.239 176.094 0.130 0.000 1.023 219 V CA -0.410 61.993 62.300 0.171 0.000 0.857 219 V CB 1.694 33.619 31.823 0.170 0.000 0.985 219 V HN 0.475 nan 8.190 nan 0.000 0.443 220 I N 5.024 125.600 120.570 0.010 0.000 2.388 220 I HA 0.521 4.689 4.170 -0.004 0.000 0.281 220 I C -0.652 175.472 176.117 0.012 0.000 1.046 220 I CA 0.133 61.346 61.300 -0.145 0.000 1.187 220 I CB 0.839 38.420 38.000 -0.698 0.000 1.351 220 I HN 0.580 nan 8.210 nan 0.000 0.472 221 D N 7.954 128.438 120.400 0.140 0.000 2.706 221 D HA 0.236 4.873 4.640 -0.004 0.000 0.225 221 D C -2.431 174.003 176.300 0.223 0.000 1.241 221 D CA -1.405 52.712 54.000 0.195 0.000 0.784 221 D CB 3.283 44.220 40.800 0.229 0.000 1.521 221 D HN -0.001 nan 8.370 nan 0.000 0.461 222 P HA 0.014 nan 4.420 nan 0.000 0.223 222 P C 0.507 177.922 177.300 0.190 0.000 1.151 222 P CA 0.432 63.603 63.100 0.118 0.000 0.787 222 P CB 0.390 32.144 31.700 0.089 0.000 0.788 223 V N 0.729 120.790 119.914 0.246 0.000 2.547 223 V HA 0.316 4.434 4.120 -0.004 0.000 0.299 223 V C 0.834 177.059 176.094 0.219 0.000 1.040 223 V CA -1.048 61.383 62.300 0.218 0.000 0.913 223 V CB 1.931 33.852 31.823 0.163 0.000 0.992 223 V HN -0.132 nan 8.190 nan 0.000 0.449 224 R N 2.833 123.433 120.500 0.168 0.000 2.608 224 R HA 0.239 4.577 4.340 -0.004 0.000 0.277 224 R C 0.507 176.796 176.300 -0.018 0.000 1.341 224 R CA -0.134 55.958 56.100 -0.013 0.000 1.199 224 R CB -0.088 30.252 30.300 0.066 0.000 1.156 224 R HN 1.008 nan 8.270 nan 0.000 0.558 225 T N -0.780 113.753 114.554 -0.036 0.000 2.729 225 T HA 0.106 4.454 4.350 -0.004 0.000 0.298 225 T C 1.133 175.859 174.700 0.043 0.000 1.013 225 T CA -0.565 61.565 62.100 0.049 0.000 0.957 225 T CB 1.076 69.995 68.868 0.084 0.000 1.130 225 T HN 0.448 nan 8.240 nan 0.000 0.526 226 K N -0.373 120.088 120.400 0.101 0.000 2.155 226 K HA -0.056 4.261 4.320 -0.004 0.000 0.203 226 K C 2.386 179.038 176.600 0.086 0.000 1.052 226 K CA 1.080 57.428 56.287 0.103 0.000 0.948 226 K CB -0.573 32.040 32.500 0.188 0.000 0.728 226 K HN 0.672 nan 8.250 nan 0.000 0.448 227 T N 0.622 115.213 114.554 0.062 0.000 2.720 227 T HA -0.131 4.217 4.350 -0.004 0.000 0.268 227 T C 1.802 176.618 174.700 0.193 0.000 1.037 227 T CA 1.396 63.534 62.100 0.064 0.000 1.144 227 T CB -0.126 68.716 68.868 -0.042 0.000 0.864 227 T HN -0.027 nan 8.240 nan 0.000 0.444 228 V N 1.180 121.150 119.914 0.094 0.000 2.343 228 V HA -0.158 3.960 4.120 -0.004 0.000 0.247 228 V C 2.455 178.605 176.094 0.093 0.000 1.051 228 V CA 1.748 64.086 62.300 0.064 0.000 1.036 228 V CB -0.573 31.147 31.823 -0.171 0.000 0.654 228 V HN 0.479 nan 8.190 nan 0.000 0.451 229 E N -0.595 119.643 120.200 0.063 0.000 2.106 229 E HA -0.190 4.158 4.350 -0.004 0.000 0.192 229 E C 1.938 178.573 176.600 0.060 0.000 0.984 229 E CA 1.303 57.736 56.400 0.056 0.000 0.806 229 E CB -0.252 29.476 29.700 0.047 0.000 0.750 229 E HN 0.594 nan 8.360 nan 0.000 0.458 230 F N -0.185 119.693 119.950 -0.119 0.000 2.171 230 F HA -0.165 4.359 4.527 -0.004 0.000 0.300 230 F C 1.344 176.965 175.800 -0.297 0.000 1.090 230 F CA 1.288 59.124 58.000 -0.274 0.000 1.293 230 F CB 0.007 38.721 39.000 -0.475 0.000 1.013 230 F HN -0.034 nan 8.300 nan 0.000 0.486 231 F N 0.374 120.295 119.950 -0.048 0.000 2.698 231 F HA 0.321 4.845 4.527 -0.004 0.000 0.295 231 F C 1.946 177.703 175.800 -0.072 0.000 1.124 231 F CA 0.502 58.433 58.000 -0.115 0.000 1.426 231 F CB -0.783 38.248 39.000 0.051 0.000 1.120 231 F HN 0.022 nan 8.300 nan 0.000 0.583 232 G N 1.244 110.115 108.800 0.119 0.000 2.314 232 G HA2 -0.095 3.862 3.960 -0.004 0.000 0.292 232 G HA3 -0.095 3.862 3.960 -0.004 0.000 0.292 232 G C 0.393 175.361 174.900 0.112 0.000 1.059 232 G CA -0.000 45.147 45.100 0.079 0.000 0.982 232 G HN 0.638 nan 8.290 nan 0.000 0.505 233 A N -0.643 122.272 122.820 0.159 0.000 2.296 233 A HA 0.664 4.982 4.320 -0.004 0.000 0.264 233 A C 0.711 178.364 177.584 0.116 0.000 1.097 233 A CA 0.363 52.486 52.037 0.142 0.000 0.811 233 A CB 0.391 19.498 19.000 0.179 0.000 1.072 233 A HN 0.870 nan 8.150 nan 0.000 0.495 234 E N 0.053 120.314 120.200 0.102 0.000 2.290 234 E HA 0.127 4.474 4.350 -0.004 0.000 0.277 234 E C -0.612 176.080 176.600 0.153 0.000 1.035 234 E CA -0.037 56.423 56.400 0.100 0.000 0.873 234 E CB 0.192 29.929 29.700 0.063 0.000 1.029 234 E HN 0.698 nan 8.360 nan 0.000 0.419 235 H N 6.566 125.652 119.070 0.026 0.000 2.638 235 H HA 0.233 4.787 4.556 -0.004 0.000 0.303 235 H C -0.611 174.711 175.328 -0.010 0.000 1.034 235 H CA -1.162 54.900 56.048 0.022 0.000 1.225 235 H CB 0.532 30.318 29.762 0.040 0.000 1.394 235 H HN 0.420 nan 8.280 nan 0.000 0.477 236 I N 5.141 125.707 120.570 -0.006 0.000 2.342 236 I HA 0.057 4.225 4.170 -0.004 0.000 0.291 236 I C 0.716 176.682 176.117 -0.251 0.000 1.010 236 I CA -0.423 60.785 61.300 -0.153 0.000 1.308 236 I CB 1.096 39.002 38.000 -0.156 0.000 1.400 236 I HN 0.596 nan 8.210 nan 0.000 0.488 237 T N 4.709 119.088 114.554 -0.292 0.000 3.053 237 T HA 0.506 4.853 4.350 -0.004 0.000 0.363 237 T C -2.374 172.247 174.700 -0.131 0.000 1.239 237 T CA -1.720 60.233 62.100 -0.244 0.000 1.071 237 T CB 1.061 69.750 68.868 -0.297 0.000 1.089 237 T HN 0.351 nan 8.240 nan 0.000 0.527 238 P HA 0.362 nan 4.420 nan 0.000 0.279 238 P C -0.505 176.765 177.300 -0.050 0.000 1.252 238 P CA -0.769 62.295 63.100 -0.059 0.000 0.811 238 P CB 1.118 32.811 31.700 -0.011 0.000 1.035 239 K N 2.549 122.912 120.400 -0.060 0.000 2.416 239 K HA 0.192 4.510 4.320 -0.004 0.000 0.283 239 K C -2.062 174.490 176.600 -0.079 0.000 1.037 239 K CA -1.396 54.850 56.287 -0.068 0.000 0.995 239 K CB -0.541 31.923 32.500 -0.060 0.000 0.938 239 K HN 0.356 nan 8.250 nan 0.000 0.475 240 P HA -0.133 nan 4.420 nan 0.000 0.261 240 P C -0.648 176.566 177.300 -0.143 0.000 1.173 240 P CA 0.718 63.667 63.100 -0.252 0.000 0.760 240 P CB 0.500 31.763 31.700 -0.728 0.000 0.783 241 Q N -0.603 119.218 119.800 0.035 0.000 2.405 241 Q HA -0.128 4.209 4.340 -0.004 0.000 0.201 241 Q C 0.370 176.549 176.000 0.298 0.000 0.625 241 Q CA 1.405 57.308 55.803 0.168 0.000 1.332 241 Q CB -2.422 26.421 28.738 0.175 0.000 1.199 241 Q HN 0.706 nan 8.270 nan 0.000 0.915 242 T N -4.469 110.206 114.554 0.203 0.000 3.129 242 T HA 0.194 4.542 4.350 -0.004 0.000 0.267 242 T C 0.553 175.326 174.700 0.121 0.000 1.018 242 T CA 0.469 62.656 62.100 0.145 0.000 0.903 242 T CB 0.199 69.031 68.868 -0.060 0.000 1.067 242 T HN 0.100 nan 8.240 nan 0.000 0.549 243 D N 1.601 122.139 120.400 0.230 0.000 2.149 243 D HA -0.079 4.559 4.640 -0.004 0.000 0.198 243 D C 1.990 178.438 176.300 0.247 0.000 0.990 243 D CA 0.681 54.863 54.000 0.304 0.000 0.839 243 D CB -0.192 40.843 40.800 0.391 0.000 0.948 243 D HN 0.236 nan 8.370 nan 0.000 0.460 244 V N 0.892 120.963 119.914 0.262 0.000 2.343 244 V HA -0.272 3.846 4.120 -0.004 0.000 0.247 244 V C 2.385 178.633 176.094 0.257 0.000 1.051 244 V CA 1.863 64.331 62.300 0.278 0.000 1.036 244 V CB -0.726 31.350 31.823 0.420 0.000 0.654 244 V HN 0.280 nan 8.190 nan 0.000 0.451 245 A N 0.022 122.885 122.820 0.071 0.000 1.865 245 A HA -0.240 4.078 4.320 -0.004 0.000 0.217 245 A C 2.139 179.751 177.584 0.046 0.000 1.191 245 A CA 2.277 54.234 52.037 -0.133 0.000 0.623 245 A CB -0.633 17.809 19.000 -0.931 0.000 0.826 245 A HN 0.523 nan 8.150 nan 0.000 0.444 246 I N -0.902 119.689 120.570 0.035 0.000 2.151 246 I HA -0.360 3.808 4.170 -0.004 0.000 0.243 246 I C 2.754 179.015 176.117 0.239 0.000 1.080 246 I CA 1.979 63.357 61.300 0.130 0.000 1.339 246 I CB -0.405 37.714 38.000 0.197 0.000 1.039 246 I HN 0.357 nan 8.210 nan 0.000 0.409 247 M N -0.041 119.726 119.600 0.278 0.000 2.159 247 M HA -0.213 4.264 4.480 -0.004 0.000 0.263 247 M C 2.315 178.752 176.300 0.228 0.000 1.063 247 M CA 1.786 57.231 55.300 0.242 0.000 1.110 247 M CB -0.314 32.339 32.600 0.089 0.000 1.374 247 M HN 0.241 nan 8.290 nan 0.000 0.411 248 L N -0.647 120.725 121.223 0.249 0.000 2.027 248 L HA -0.109 4.228 4.340 -0.004 0.000 0.206 248 L C 2.716 179.713 176.870 0.213 0.000 1.074 248 L CA 1.405 56.396 54.840 0.252 0.000 0.745 248 L CB -1.231 40.998 42.059 0.282 0.000 0.898 248 L HN 0.396 nan 8.230 nan 0.000 0.433 249 G N -0.168 108.771 108.800 0.232 0.000 2.476 249 G HA2 -0.316 3.642 3.960 -0.004 0.000 0.218 249 G HA3 -0.316 3.642 3.960 -0.004 0.000 0.218 249 G C 1.597 176.596 174.900 0.165 0.000 1.164 249 G CA 1.061 46.270 45.100 0.182 0.000 0.768 249 G HN 0.236 nan 8.290 nan 0.000 0.560 250 M N 0.733 120.431 119.600 0.164 0.000 2.159 250 M HA 0.009 4.487 4.480 -0.004 0.000 0.263 250 M C 3.035 179.430 176.300 0.158 0.000 1.063 250 M CA 1.340 56.728 55.300 0.147 0.000 1.110 250 M CB -0.248 32.461 32.600 0.182 0.000 1.374 250 M HN 0.321 nan 8.290 nan 0.000 0.411 251 A N -0.499 122.430 122.820 0.181 0.000 1.898 251 A HA -0.205 4.113 4.320 -0.004 0.000 0.216 251 A C 2.056 179.706 177.584 0.110 0.000 1.181 251 A CA 1.562 53.698 52.037 0.165 0.000 0.620 251 A CB -1.134 18.007 19.000 0.235 0.000 0.819 251 A HN 0.518 nan 8.150 nan 0.000 0.442 252 H N 0.290 119.372 119.070 0.020 0.000 2.265 252 H HA -0.142 4.412 4.556 -0.004 0.000 0.295 252 H C 2.145 177.479 175.328 0.010 0.000 1.084 252 H CA 2.385 58.416 56.048 -0.028 0.000 1.261 252 H CB -0.457 29.270 29.762 -0.058 0.000 1.360 252 H HN 0.432 nan 8.280 nan 0.000 0.487 253 T N 2.120 116.782 114.554 0.181 0.000 2.653 253 T HA -0.198 4.149 4.350 -0.004 0.000 0.268 253 T C 2.453 177.190 174.700 0.063 0.000 1.035 253 T CA 1.573 63.740 62.100 0.112 0.000 1.154 253 T CB -0.541 68.380 68.868 0.088 0.000 0.862 253 T HN 0.253 nan 8.240 nan 0.000 0.441 254 L N 0.480 121.754 121.223 0.084 0.000 2.079 254 L HA -0.116 4.221 4.340 -0.004 0.000 0.210 254 L C 2.629 179.608 176.870 0.181 0.000 1.081 254 L CA 1.102 56.020 54.840 0.130 0.000 0.752 254 L CB -0.542 41.610 42.059 0.153 0.000 0.896 254 L HN 0.206 nan 8.230 nan 0.000 0.433 255 V N -0.502 119.454 119.914 0.069 0.000 2.407 255 V HA -0.167 3.951 4.120 -0.004 0.000 0.245 255 V C 2.678 178.774 176.094 0.003 0.000 1.041 255 V CA 1.449 63.799 62.300 0.082 0.000 1.040 255 V CB -0.629 31.133 31.823 -0.102 0.000 0.671 255 V HN 0.443 nan 8.190 nan 0.000 0.455 256 A N 0.179 122.922 122.820 -0.128 0.000 1.883 256 A HA -0.252 4.066 4.320 -0.004 0.000 0.217 256 A C 1.977 179.555 177.584 -0.009 0.000 1.186 256 A CA 1.997 53.970 52.037 -0.106 0.000 0.624 256 A CB -0.431 18.518 19.000 -0.084 0.000 0.822 256 A HN 0.651 nan 8.150 nan 0.000 0.444 257 E N -0.812 119.401 120.200 0.023 0.000 2.437 257 E HA 0.105 4.453 4.350 -0.004 0.000 0.189 257 E C -0.546 176.075 176.600 0.035 0.000 1.054 257 E CA 0.141 56.558 56.400 0.028 0.000 0.874 257 E CB 0.027 29.745 29.700 0.030 0.000 1.011 257 E HN 0.482 nan 8.360 nan 0.000 0.474 258 D N 0.429 120.865 120.400 0.061 0.000 2.735 258 D HA -0.196 4.442 4.640 -0.004 0.000 0.235 258 D C 0.103 176.408 176.300 0.008 0.000 1.175 258 D CA 0.492 54.520 54.000 0.047 0.000 0.683 258 D CB -0.945 39.855 40.800 -0.000 0.000 1.008 258 D HN 0.296 nan 8.370 nan 0.000 0.416 259 L N -0.230 121.033 121.223 0.068 0.000 2.609 259 L HA 0.129 4.467 4.340 -0.004 0.000 0.230 259 L C 1.324 178.220 176.870 0.043 0.000 1.064 259 L CA -0.549 54.313 54.840 0.038 0.000 0.873 259 L CB -0.259 41.838 42.059 0.063 0.000 1.139 259 L HN 0.317 nan 8.230 nan 0.000 0.490 260 Y N 0.156 120.466 120.300 0.016 0.000 2.641 260 Y HA -0.013 4.535 4.550 -0.004 0.000 0.351 260 Y C 0.313 176.213 175.900 0.000 0.000 1.269 260 Y CA -0.761 57.344 58.100 0.008 0.000 1.485 260 Y CB -0.134 38.328 38.460 0.002 0.000 1.364 260 Y HN -0.076 nan 8.280 nan 0.000 0.651 261 D N 2.208 122.662 120.400 0.089 0.000 2.422 261 D HA 0.103 4.741 4.640 -0.004 0.000 0.227 261 D C 0.178 176.490 176.300 0.019 0.000 1.190 261 D CA -0.181 53.827 54.000 0.014 0.000 0.905 261 D CB 0.689 41.541 40.800 0.087 0.000 1.034 261 D HN 0.740 nan 8.370 nan 0.000 0.507 262 K N 2.118 122.400 120.400 -0.197 0.000 2.097 262 K HA -0.098 4.220 4.320 -0.004 0.000 0.205 262 K C 1.064 177.671 176.600 0.013 0.000 1.050 262 K CA 0.823 57.032 56.287 -0.130 0.000 0.938 262 K CB 0.358 32.715 32.500 -0.238 0.000 0.718 262 K HN 0.427 nan 8.250 nan 0.000 0.442 263 D N 0.682 121.099 120.400 0.029 0.000 2.097 263 D HA -0.176 4.461 4.640 -0.004 0.000 0.195 263 D C 1.775 178.152 176.300 0.129 0.000 0.989 263 D CA 1.010 55.044 54.000 0.057 0.000 0.827 263 D CB -0.341 40.493 40.800 0.056 0.000 0.966 263 D HN 0.068 nan 8.370 nan 0.000 0.456 264 F N 1.892 121.905 119.950 0.104 0.000 2.069 264 F HA -0.233 4.292 4.527 -0.004 0.000 0.298 264 F C 2.289 178.206 175.800 0.195 0.000 1.113 264 F CA 1.196 59.319 58.000 0.206 0.000 1.214 264 F CB -0.129 38.919 39.000 0.080 0.000 0.978 264 F HN -0.171 nan 8.300 nan 0.000 0.474 265 I N 0.763 121.487 120.570 0.257 0.000 2.118 265 I HA -0.370 3.798 4.170 -0.004 0.000 0.241 265 I C 2.754 178.883 176.117 0.021 0.000 1.070 265 I CA 1.730 63.088 61.300 0.096 0.000 1.327 265 I CB -2.125 35.841 38.000 -0.056 0.000 1.034 265 I HN 0.275 nan 8.210 nan 0.000 0.405 266 A N 1.048 123.876 122.820 0.012 0.000 1.908 266 A HA -0.195 4.123 4.320 -0.004 0.000 0.218 266 A C 1.965 179.481 177.584 -0.112 0.000 1.181 266 A CA 1.936 53.961 52.037 -0.020 0.000 0.627 266 A CB -0.557 18.431 19.000 -0.021 0.000 0.818 266 A HN 0.543 nan 8.150 nan 0.000 0.445 267 N N -2.574 115.980 118.700 -0.244 0.000 2.282 267 N HA 0.086 4.824 4.740 -0.004 0.000 0.185 267 N C 0.349 175.441 175.510 -0.696 0.000 1.099 267 N CA 0.680 53.444 53.050 -0.477 0.000 0.878 267 N CB 0.185 38.276 38.487 -0.661 0.000 0.993 267 N HN 0.630 nan 8.380 nan 0.000 0.481 268 Y N 0.249 120.313 120.300 -0.393 0.000 2.432 268 Y HA 0.155 4.703 4.550 -0.004 0.000 0.252 268 Y C 1.305 177.155 175.900 -0.084 0.000 1.097 268 Y CA -0.243 57.625 58.100 -0.387 0.000 1.250 268 Y CB 0.525 38.305 38.460 -1.134 0.000 1.245 268 Y HN -0.095 nan 8.280 nan 0.000 0.522 269 T N -2.727 111.862 114.554 0.059 0.000 2.905 269 T HA 0.704 5.051 4.350 -0.004 0.000 0.283 269 T C -0.358 174.425 174.700 0.138 0.000 1.031 269 T CA -0.796 61.396 62.100 0.153 0.000 1.002 269 T CB 2.092 71.074 68.868 0.190 0.000 1.200 269 T HN -0.071 nan 8.240 nan 0.000 0.560 270 S N -1.376 114.428 115.700 0.174 0.000 2.546 270 S HA 0.601 5.069 4.470 -0.004 0.000 0.272 270 S C 0.727 175.458 174.600 0.218 0.000 1.140 270 S CA 0.485 58.787 58.200 0.169 0.000 0.920 270 S CB 0.755 64.039 63.200 0.141 0.000 1.083 270 S HN 2.413 nan 8.310 nan 0.000 0.476 271 G N 3.181 112.102 108.800 0.201 0.000 2.176 271 G HA2 -0.284 3.674 3.960 -0.004 0.000 0.253 271 G HA3 -0.284 3.674 3.960 -0.004 0.000 0.253 271 G C 0.616 175.641 174.900 0.208 0.000 0.979 271 G CA 0.423 45.645 45.100 0.202 0.000 0.641 271 G HN 1.002 nan 8.290 nan 0.000 0.530 272 F N 2.794 122.816 119.950 0.120 0.000 2.091 272 F HA -0.125 4.399 4.527 -0.004 0.000 0.299 272 F C 2.505 178.379 175.800 0.124 0.000 1.103 272 F CA 2.612 60.699 58.000 0.145 0.000 1.228 272 F CB -0.093 38.989 39.000 0.136 0.000 0.984 272 F HN 0.398 nan 8.300 nan 0.000 0.477 273 D N -0.226 120.181 120.400 0.012 0.000 2.354 273 D HA -0.207 4.431 4.640 -0.004 0.000 0.216 273 D C 1.508 177.699 176.300 -0.181 0.000 0.970 273 D CA 0.983 54.920 54.000 -0.105 0.000 0.905 273 D CB -0.575 40.226 40.800 0.002 0.000 0.903 273 D HN 0.402 nan 8.370 nan 0.000 0.508 274 K N -0.737 119.559 120.400 -0.173 0.000 2.400 274 K HA 0.022 4.340 4.320 -0.004 0.000 0.194 274 K C 1.371 177.854 176.600 -0.194 0.000 1.033 274 K CA -0.030 56.117 56.287 -0.233 0.000 1.021 274 K CB 0.098 32.311 32.500 -0.479 0.000 0.808 274 K HN 0.162 nan 8.250 nan 0.000 0.505 275 F N 0.845 120.537 119.950 -0.430 0.000 2.582 275 F HA 0.060 4.585 4.527 -0.004 0.000 0.290 275 F C 1.643 177.133 175.800 -0.515 0.000 1.115 275 F CA 0.013 57.669 58.000 -0.573 0.000 1.445 275 F CB 0.011 38.712 39.000 -0.498 0.000 1.126 275 F HN -0.203 nan 8.300 nan 0.000 0.574 276 L N 1.942 122.716 121.223 -0.749 0.000 1.990 276 L HA -0.104 4.234 4.340 -0.004 0.000 0.213 276 L C -0.689 175.883 176.870 -0.496 0.000 1.072 276 L CA 2.400 56.808 54.840 -0.719 0.000 0.755 276 L CB -1.913 39.818 42.059 -0.546 0.000 0.889 276 L HN 0.008 nan 8.230 nan 0.000 0.432 277 P HA -0.258 nan 4.420 nan 0.000 0.216 277 P C 1.452 178.612 177.300 -0.233 0.000 1.153 277 P CA 1.632 64.593 63.100 -0.231 0.000 0.858 277 P CB -0.305 31.302 31.700 -0.155 0.000 0.789 278 Y N 0.566 120.627 120.300 -0.399 0.000 2.070 278 Y HA -0.205 4.343 4.550 -0.004 0.000 0.280 278 Y C 2.261 177.918 175.900 -0.404 0.000 1.148 278 Y CA 1.351 59.242 58.100 -0.347 0.000 1.125 278 Y CB -1.289 36.944 38.460 -0.377 0.000 0.975 278 Y HN -0.229 nan 8.280 nan 0.000 0.492 279 L N 0.781 121.587 121.223 -0.695 0.000 2.012 279 L HA -0.239 4.099 4.340 -0.004 0.000 0.210 279 L C 1.767 178.379 176.870 -0.430 0.000 1.073 279 L CA 2.425 56.852 54.840 -0.687 0.000 0.748 279 L CB -0.949 40.623 42.059 -0.812 0.000 0.891 279 L HN 0.225 nan 8.230 nan 0.000 0.431 280 D N -0.324 119.867 120.400 -0.348 0.000 2.350 280 D HA 0.051 4.688 4.640 -0.004 0.000 0.216 280 D C 1.736 177.910 176.300 -0.210 0.000 0.968 280 D CA 1.105 54.983 54.000 -0.203 0.000 0.894 280 D CB -0.062 40.623 40.800 -0.191 0.000 0.909 280 D HN 0.580 nan 8.370 nan 0.000 0.520 281 G N 0.964 109.579 108.800 -0.308 0.000 2.157 281 G HA2 -0.325 3.633 3.960 -0.004 0.000 0.239 281 G HA3 -0.325 3.633 3.960 -0.004 0.000 0.239 281 G C 0.846 175.638 174.900 -0.180 0.000 0.982 281 G CA 0.242 45.174 45.100 -0.281 0.000 0.650 281 G HN 0.380 nan 8.290 nan 0.000 0.527 282 E N 0.005 120.111 120.200 -0.156 0.000 2.409 282 E HA 0.001 4.349 4.350 -0.004 0.000 0.198 282 E C 2.415 178.971 176.600 -0.074 0.000 1.024 282 E CA 1.429 57.766 56.400 -0.105 0.000 0.861 282 E CB -0.001 29.637 29.700 -0.104 0.000 0.788 282 E HN 0.741 nan 8.360 nan 0.000 0.521 283 T N -2.122 112.396 114.554 -0.060 0.000 2.969 283 T HA -0.008 4.339 4.350 -0.004 0.000 0.250 283 T C 0.903 175.603 174.700 -0.001 0.000 1.021 283 T CA 0.426 62.523 62.100 -0.007 0.000 1.003 283 T CB 0.265 69.168 68.868 0.060 0.000 1.040 283 T HN 0.063 nan 8.240 nan 0.000 0.492 284 D N -0.314 120.066 120.400 -0.034 0.000 2.538 284 D HA 0.257 4.895 4.640 -0.004 0.000 0.241 284 D C 0.458 176.721 176.300 -0.062 0.000 1.297 284 D CA -0.041 53.943 54.000 -0.027 0.000 0.804 284 D CB -0.206 40.595 40.800 0.001 0.000 1.122 284 D HN 0.182 nan 8.370 nan 0.000 0.519 285 S N -0.954 114.693 115.700 -0.088 0.000 3.490 285 S HA -0.128 4.340 4.470 -0.004 0.000 0.301 285 S C -0.078 174.445 174.600 -0.129 0.000 1.233 285 S CA 1.155 59.301 58.200 -0.090 0.000 0.914 285 S CB -1.986 61.184 63.200 -0.051 0.000 1.047 285 S HN 0.542 nan 8.310 nan 0.000 0.602 286 T N 1.929 116.355 114.554 -0.212 0.000 3.226 286 T HA 0.397 4.744 4.350 -0.004 0.000 0.378 286 T C -2.957 171.444 174.700 -0.498 0.000 1.380 286 T CA -1.190 60.721 62.100 -0.315 0.000 1.396 286 T CB 1.339 70.011 68.868 -0.327 0.000 1.044 286 T HN -0.082 nan 8.240 nan 0.000 0.586 287 P HA 0.065 nan 4.420 nan 0.000 0.262 287 P C 0.191 177.096 177.300 -0.658 0.000 1.199 287 P CA -0.322 62.530 63.100 -0.413 0.000 0.763 287 P CB 0.451 32.008 31.700 -0.238 0.000 0.790 288 K N 2.548 122.504 120.400 -0.740 0.000 2.715 288 K HA 0.076 4.393 4.320 -0.004 0.000 0.248 288 K C 0.820 177.122 176.600 -0.498 0.000 1.276 288 K CA 0.229 55.991 56.287 -0.876 0.000 1.209 288 K CB -1.179 30.843 32.500 -0.797 0.000 1.509 288 K HN 0.499 nan 8.250 nan 0.000 0.261 289 T N -3.094 111.141 114.554 -0.532 0.000 2.754 289 T HA 0.289 4.637 4.350 -0.004 0.000 0.286 289 T C 1.605 176.298 174.700 -0.012 0.000 0.997 289 T CA -0.172 61.653 62.100 -0.459 0.000 0.982 289 T CB 1.207 69.841 68.868 -0.390 0.000 1.027 289 T HN 0.220 nan 8.240 nan 0.000 0.529 290 A N 0.290 123.101 122.820 -0.015 0.000 1.930 290 A HA 0.003 4.321 4.320 -0.004 0.000 0.217 290 A C 2.220 179.798 177.584 -0.010 0.000 1.175 290 A CA 1.491 53.537 52.037 0.015 0.000 0.627 290 A CB -1.061 17.944 19.000 0.009 0.000 0.815 290 A HN 0.906 nan 8.150 nan 0.000 0.443 291 E N -1.045 119.148 120.200 -0.012 0.000 2.051 291 E HA -0.215 4.132 4.350 -0.004 0.000 0.192 291 E C 1.592 178.189 176.600 -0.006 0.000 0.991 291 E CA 1.535 57.923 56.400 -0.019 0.000 0.799 291 E CB -0.414 29.277 29.700 -0.016 0.000 0.748 291 E HN 0.865 nan 8.360 nan 0.000 0.449 292 W N 1.291 122.492 121.300 -0.164 0.000 2.355 292 W HA -0.160 4.497 4.660 -0.004 0.000 0.309 292 W C 2.260 178.666 176.519 -0.188 0.000 1.206 292 W CA 2.156 59.397 57.345 -0.173 0.000 1.284 292 W CB -0.439 28.896 29.460 -0.207 0.000 1.145 292 W HN 0.045 nan 8.180 nan 0.000 0.502 293 A N 0.301 122.968 122.820 -0.255 0.000 1.972 293 A HA -0.257 4.061 4.320 -0.004 0.000 0.219 293 A C 1.975 179.294 177.584 -0.441 0.000 1.169 293 A CA 1.968 53.670 52.037 -0.558 0.000 0.635 293 A CB -1.133 17.775 19.000 -0.152 0.000 0.810 293 A HN 0.609 nan 8.150 nan 0.000 0.446 294 E N -0.271 119.772 120.200 -0.262 0.000 2.077 294 E HA -0.117 4.231 4.350 -0.004 0.000 0.193 294 E C 2.012 178.465 176.600 -0.244 0.000 0.989 294 E CA 1.227 57.503 56.400 -0.206 0.000 0.800 294 E CB -0.541 29.081 29.700 -0.130 0.000 0.746 294 E HN 0.457 nan 8.360 nan 0.000 0.452 295 G N 0.738 109.365 108.800 -0.288 0.000 2.442 295 G HA2 -0.224 3.733 3.960 -0.004 0.000 0.219 295 G HA3 -0.224 3.733 3.960 -0.004 0.000 0.219 295 G C 1.548 176.253 174.900 -0.325 0.000 1.141 295 G CA 0.976 45.916 45.100 -0.268 0.000 0.763 295 G HN 0.289 nan 8.290 nan 0.000 0.554 296 I N 0.973 121.232 120.570 -0.519 0.000 2.429 296 I HA -0.055 4.113 4.170 -0.004 0.000 0.247 296 I C 3.021 178.928 176.117 -0.351 0.000 1.099 296 I CA 1.280 62.281 61.300 -0.498 0.000 1.422 296 I CB 0.131 37.596 38.000 -0.891 0.000 1.112 296 I HN 0.287 nan 8.210 nan 0.000 0.430 297 S N -0.046 115.442 115.700 -0.354 0.000 2.425 297 S HA 0.122 4.589 4.470 -0.004 0.000 0.225 297 S C 1.833 176.340 174.600 -0.155 0.000 1.024 297 S CA 0.616 58.684 58.200 -0.220 0.000 0.951 297 S CB 0.153 63.237 63.200 -0.193 0.000 0.796 297 S HN 0.557 nan 8.310 nan 0.000 0.498 298 G N 0.315 109.018 108.800 -0.160 0.000 2.176 298 G HA2 -0.222 3.736 3.960 -0.004 0.000 0.253 298 G HA3 -0.222 3.736 3.960 -0.004 0.000 0.253 298 G C 0.029 174.863 174.900 -0.110 0.000 0.979 298 G CA 0.042 45.069 45.100 -0.121 0.000 0.641 298 G HN 0.701 nan 8.290 nan 0.000 0.530 299 V N 2.654 122.497 119.914 -0.119 0.000 2.406 299 V HA 0.405 4.522 4.120 -0.004 0.000 0.272 299 V C -1.529 174.507 176.094 -0.097 0.000 1.043 299 V CA -1.518 60.719 62.300 -0.105 0.000 0.915 299 V CB 1.333 33.094 31.823 -0.104 0.000 0.988 299 V HN 0.104 nan 8.190 nan 0.000 0.466 300 P HA -0.081 nan 4.420 nan 0.000 0.257 300 P C 0.775 178.035 177.300 -0.067 0.000 1.153 300 P CA 0.608 63.666 63.100 -0.070 0.000 0.762 300 P CB 0.495 32.158 31.700 -0.061 0.000 0.743 301 A N 5.053 127.836 122.820 -0.061 0.000 1.927 301 A HA -0.271 4.047 4.320 -0.004 0.000 0.220 301 A C 2.072 179.631 177.584 -0.042 0.000 1.185 301 A CA 1.622 53.629 52.037 -0.049 0.000 0.639 301 A CB -0.816 18.160 19.000 -0.040 0.000 0.820 301 A HN 0.475 nan 8.150 nan 0.000 0.451 302 E N -0.700 119.475 120.200 -0.041 0.000 2.150 302 E HA -0.106 4.242 4.350 -0.004 0.000 0.193 302 E C 2.174 178.742 176.600 -0.054 0.000 0.985 302 E CA 1.489 57.865 56.400 -0.039 0.000 0.814 302 E CB -0.550 29.129 29.700 -0.034 0.000 0.752 302 E HN 0.641 nan 8.360 nan 0.000 0.466 303 T N 1.462 115.979 114.554 -0.062 0.000 2.674 303 T HA -0.090 4.258 4.350 -0.004 0.000 0.265 303 T C 2.101 176.740 174.700 -0.101 0.000 1.039 303 T CA 1.002 63.054 62.100 -0.080 0.000 1.150 303 T CB -0.207 68.613 68.868 -0.081 0.000 0.864 303 T HN 0.137 nan 8.240 nan 0.000 0.427 304 I N 0.783 121.302 120.570 -0.084 0.000 2.151 304 I HA -0.258 3.910 4.170 -0.004 0.000 0.243 304 I C 2.591 178.661 176.117 -0.079 0.000 1.080 304 I CA 1.545 62.799 61.300 -0.076 0.000 1.339 304 I CB -0.350 37.629 38.000 -0.036 0.000 1.039 304 I HN 0.225 nan 8.210 nan 0.000 0.409 305 K N 0.479 120.846 120.400 -0.054 0.000 2.097 305 K HA -0.195 4.122 4.320 -0.004 0.000 0.206 305 K C 2.025 178.578 176.600 -0.080 0.000 1.049 305 K CA 1.470 57.731 56.287 -0.042 0.000 0.933 305 K CB -0.107 32.382 32.500 -0.018 0.000 0.717 305 K HN 0.383 nan 8.250 nan 0.000 0.442 306 E N 0.341 120.482 120.200 -0.099 0.000 2.107 306 E HA -0.153 4.195 4.350 -0.004 0.000 0.191 306 E C 1.849 178.319 176.600 -0.217 0.000 0.982 306 E CA 0.565 56.894 56.400 -0.118 0.000 0.809 306 E CB 0.092 29.736 29.700 -0.092 0.000 0.756 306 E HN 0.050 nan 8.360 nan 0.000 0.459 307 L N 0.825 121.857 121.223 -0.318 0.000 2.017 307 L HA -0.137 4.200 4.340 -0.004 0.000 0.208 307 L C 2.328 178.654 176.870 -0.906 0.000 1.073 307 L CA 1.870 56.298 54.840 -0.688 0.000 0.745 307 L CB -1.237 40.424 42.059 -0.664 0.000 0.894 307 L HN 0.060 nan 8.230 nan 0.000 0.432 308 A N -0.622 121.927 122.820 -0.453 0.000 1.908 308 A HA -0.237 4.081 4.320 -0.004 0.000 0.218 308 A C 2.433 179.951 177.584 -0.110 0.000 1.181 308 A CA 1.749 53.656 52.037 -0.217 0.000 0.627 308 A CB -0.449 18.530 19.000 -0.036 0.000 0.818 308 A HN 0.409 nan 8.150 nan 0.000 0.445 309 R N -1.236 119.206 120.500 -0.098 0.000 2.075 309 R HA -0.070 4.268 4.340 -0.004 0.000 0.232 309 R C 2.130 178.426 176.300 -0.007 0.000 1.126 309 R CA 1.355 57.438 56.100 -0.029 0.000 0.963 309 R CB -0.600 29.684 30.300 -0.025 0.000 0.858 309 R HN 0.476 nan 8.270 nan 0.000 0.435 310 L N 0.364 121.554 121.223 -0.056 0.000 2.083 310 L HA -0.131 4.207 4.340 -0.004 0.000 0.209 310 L C 1.756 178.749 176.870 0.205 0.000 1.083 310 L CA 1.681 56.541 54.840 0.033 0.000 0.752 310 L CB -0.289 41.772 42.059 0.003 0.000 0.899 310 L HN 0.016 nan 8.230 nan 0.000 0.433 311 F N -0.285 119.679 119.950 0.023 0.000 2.325 311 F HA -0.048 4.476 4.527 -0.004 0.000 0.299 311 F C 2.548 178.359 175.800 0.018 0.000 1.090 311 F CA 1.111 59.127 58.000 0.026 0.000 1.392 311 F CB -0.970 38.063 39.000 0.055 0.000 1.053 311 F HN 0.272 nan 8.300 nan 0.000 0.521 312 E N 0.335 120.656 120.200 0.202 0.000 2.230 312 E HA -0.077 4.271 4.350 -0.004 0.000 0.192 312 E C 1.782 178.426 176.600 0.073 0.000 0.987 312 E CA 1.032 57.502 56.400 0.116 0.000 0.841 312 E CB -0.095 29.664 29.700 0.099 0.000 0.783 312 E HN 0.173 nan 8.360 nan 0.000 0.481 313 S N -0.814 114.929 115.700 0.071 0.000 2.557 313 S HA 0.277 4.745 4.470 -0.004 0.000 0.223 313 S C 0.318 174.943 174.600 0.041 0.000 0.969 313 S CA -0.584 57.642 58.200 0.044 0.000 0.927 313 S CB 0.266 63.486 63.200 0.034 0.000 0.806 313 S HN -0.106 nan 8.310 nan 0.000 0.489 314 K N 1.383 121.814 120.400 0.053 0.000 2.443 314 K HA 0.421 4.739 4.320 -0.004 0.000 0.251 314 K C -0.933 175.674 176.600 0.013 0.000 0.972 314 K CA -0.888 55.420 56.287 0.035 0.000 0.833 314 K CB 1.545 34.074 32.500 0.048 0.000 1.317 314 K HN 0.041 nan 8.250 nan 0.000 0.441 315 R N 1.226 121.722 120.500 -0.008 0.000 2.357 315 R HA 0.112 4.450 4.340 -0.004 0.000 0.330 315 R C -0.875 175.391 176.300 -0.057 0.000 1.102 315 R CA 0.604 56.684 56.100 -0.033 0.000 0.974 315 R CB -0.644 29.636 30.300 -0.033 0.000 1.002 315 R HN 0.477 nan 8.270 nan 0.000 0.463 316 T N 4.969 119.476 114.554 -0.079 0.000 2.888 316 T HA 0.486 4.834 4.350 -0.004 0.000 0.284 316 T C -0.648 173.951 174.700 -0.168 0.000 1.017 316 T CA -0.630 61.384 62.100 -0.143 0.000 1.022 316 T CB 1.282 70.040 68.868 -0.183 0.000 1.013 316 T HN 0.554 nan 8.240 nan 0.000 0.465 317 M N 3.587 123.057 119.600 -0.216 0.000 2.197 317 M HA 0.510 4.988 4.480 -0.004 0.000 0.301 317 M C -2.025 174.142 176.300 -0.220 0.000 0.987 317 M CA -0.815 54.366 55.300 -0.197 0.000 0.921 317 M CB 0.631 33.087 32.600 -0.240 0.000 1.569 317 M HN 0.460 nan 8.290 nan 0.000 0.431 318 L N 5.297 126.461 121.223 -0.098 0.000 2.272 318 L HA 0.734 5.072 4.340 -0.004 0.000 0.284 318 L C -0.143 176.778 176.870 0.086 0.000 1.045 318 L CA -0.676 54.152 54.840 -0.019 0.000 0.842 318 L CB 0.832 42.917 42.059 0.042 0.000 1.224 318 L HN 0.897 nan 8.230 nan 0.000 0.430 319 A N 3.320 126.148 122.820 0.013 0.000 2.280 319 A HA 0.791 5.109 4.320 -0.004 0.000 0.320 319 A C 0.120 177.860 177.584 0.259 0.000 1.366 319 A CA -0.339 51.795 52.037 0.162 0.000 0.938 319 A CB 0.665 19.694 19.000 0.048 0.000 1.157 319 A HN 0.696 nan 8.150 nan 0.000 0.536 320 A N 2.538 125.534 122.820 0.293 0.000 2.324 320 A HA 0.782 5.100 4.320 -0.004 0.000 0.330 320 A C 0.744 178.415 177.584 0.145 0.000 1.165 320 A CA 0.061 52.263 52.037 0.276 0.000 0.813 320 A CB 0.732 19.878 19.000 0.244 0.000 1.197 320 A HN 1.363 nan 8.150 nan 0.000 0.484 321 G N -0.308 108.498 108.800 0.010 0.000 2.516 321 G HA2 0.369 4.327 3.960 -0.004 0.000 0.276 321 G HA3 0.369 4.327 3.960 -0.004 0.000 0.276 321 G C -0.033 174.964 174.900 0.161 0.000 1.390 321 G CA -0.159 44.708 45.100 -0.388 0.000 1.050 321 G HN 0.753 nan 8.290 nan 0.000 0.519 322 W N -0.577 120.770 121.300 0.078 0.000 2.870 322 W HA 0.177 4.835 4.660 -0.004 0.000 0.358 322 W C 2.428 179.049 176.519 0.171 0.000 1.043 322 W CA 0.039 57.489 57.345 0.175 0.000 1.692 322 W CB -0.882 28.673 29.460 0.160 0.000 1.100 322 W HN 0.606 nan 8.180 nan 0.000 0.557 323 S N 1.022 116.914 115.700 0.320 0.000 2.383 323 S HA -0.232 4.235 4.470 -0.004 0.000 0.227 323 S C 1.777 176.532 174.600 0.259 0.000 1.026 323 S CA 1.497 59.850 58.200 0.257 0.000 0.981 323 S CB -0.847 62.472 63.200 0.198 0.000 0.818 323 S HN 0.339 nan 8.310 nan 0.000 0.472 324 M N 0.708 120.461 119.600 0.255 0.000 2.700 324 M HA 0.096 4.574 4.480 -0.004 0.000 0.249 324 M C 1.389 177.810 176.300 0.202 0.000 1.082 324 M CA 1.248 56.673 55.300 0.208 0.000 1.077 324 M CB -0.625 32.071 32.600 0.160 0.000 1.477 324 M HN 0.433 nan 8.290 nan 0.000 0.529 325 Q N 0.526 120.489 119.800 0.271 0.000 2.247 325 Q HA 0.229 4.567 4.340 -0.004 0.000 0.211 325 Q C 1.011 177.122 176.000 0.185 0.000 0.861 325 Q CA 0.125 56.072 55.803 0.241 0.000 0.949 325 Q CB 0.017 28.946 28.738 0.319 0.000 1.115 325 Q HN 0.573 nan 8.270 nan 0.000 0.507 326 R N 0.567 121.189 120.500 0.204 0.000 3.534 326 R HA 0.484 4.822 4.340 -0.004 0.000 0.312 326 R C -0.963 175.434 176.300 0.163 0.000 1.419 326 R CA 0.016 56.223 56.100 0.179 0.000 1.262 326 R CB 0.003 30.439 30.300 0.227 0.000 1.437 326 R HN 0.258 nan 8.270 nan 0.000 0.627 327 M N -1.134 118.556 119.600 0.150 0.000 2.618 327 M HA 0.218 4.696 4.480 -0.004 0.000 0.281 327 M C -0.606 175.779 176.300 0.142 0.000 1.267 327 M CA -0.911 54.481 55.300 0.153 0.000 0.845 327 M CB 2.283 34.990 32.600 0.179 0.000 1.732 327 M HN 0.142 nan 8.290 nan 0.000 0.461 328 H N 0.531 119.591 119.070 -0.017 0.000 3.034 328 H HA -0.004 4.550 4.556 -0.004 0.000 0.324 328 H C -0.450 174.809 175.328 -0.114 0.000 1.015 328 H CA 1.253 57.206 56.048 -0.159 0.000 1.429 328 H CB 0.221 29.860 29.762 -0.206 0.000 1.429 328 H HN 0.774 nan 8.280 nan 0.000 0.585 329 H N 1.109 120.125 119.070 -0.089 0.000 2.791 329 H HA -0.182 4.371 4.556 -0.004 0.000 0.302 329 H C 1.580 176.902 175.328 -0.010 0.000 1.198 329 H CA 0.156 56.126 56.048 -0.129 0.000 1.145 329 H CB -1.340 28.256 29.762 -0.276 0.000 1.385 329 H HN 0.933 nan 8.280 nan 0.000 0.409 330 G N 0.573 109.443 108.800 0.117 0.000 2.469 330 G HA2 -0.326 3.631 3.960 -0.004 0.000 0.220 330 G HA3 -0.326 3.631 3.960 -0.004 0.000 0.220 330 G C 1.415 176.402 174.900 0.146 0.000 1.136 330 G CA 1.369 46.547 45.100 0.131 0.000 0.759 330 G HN 0.514 nan 8.290 nan 0.000 0.562 331 E N 0.643 120.921 120.200 0.131 0.000 2.187 331 E HA -0.167 4.181 4.350 -0.004 0.000 0.199 331 E C 2.670 179.416 176.600 0.243 0.000 1.004 331 E CA 1.343 57.831 56.400 0.147 0.000 0.813 331 E CB -0.113 29.657 29.700 0.116 0.000 0.736 331 E HN 0.466 nan 8.360 nan 0.000 0.468 332 Q N -0.146 119.784 119.800 0.217 0.000 2.230 332 Q HA 0.034 4.372 4.340 -0.004 0.000 0.202 332 Q C 2.192 178.272 176.000 0.132 0.000 0.963 332 Q CA 1.110 57.034 55.803 0.202 0.000 0.866 332 Q CB -0.275 28.516 28.738 0.089 0.000 0.931 332 Q HN 0.336 nan 8.270 nan 0.000 0.452 333 A N 1.406 124.269 122.820 0.071 0.000 1.841 333 A HA -0.235 4.083 4.320 -0.004 0.000 0.216 333 A C 1.715 179.139 177.584 -0.267 0.000 1.199 333 A CA 1.948 53.918 52.037 -0.112 0.000 0.621 333 A CB -0.982 17.915 19.000 -0.172 0.000 0.835 333 A HN 0.434 nan 8.150 nan 0.000 0.445 334 H N -3.384 115.699 119.070 0.022 0.000 2.470 334 H HA -0.080 4.474 4.556 -0.004 0.000 0.289 334 H C 1.652 176.985 175.328 0.008 0.000 1.033 334 H CA 1.101 57.129 56.048 -0.032 0.000 1.331 334 H CB -0.124 29.629 29.762 -0.015 0.000 1.414 334 H HN 0.708 nan 8.280 nan 0.000 0.545 335 W N 1.028 122.300 121.300 -0.046 0.000 2.335 335 W HA -0.192 4.466 4.660 -0.003 0.000 0.311 335 W C 2.017 178.452 176.519 -0.140 0.000 1.213 335 W CA 1.232 58.522 57.345 -0.092 0.000 1.274 335 W CB -0.532 28.885 29.460 -0.072 0.000 1.148 335 W HN 0.174 nan 8.180 nan 0.000 0.498 336 M N -0.121 119.496 119.600 0.028 0.000 2.229 336 M HA -0.082 4.396 4.480 -0.004 0.000 0.264 336 M C 2.128 178.347 176.300 -0.135 0.000 1.063 336 M CA 1.303 56.543 55.300 -0.100 0.000 1.114 336 M CB -1.432 31.142 32.600 -0.043 0.000 1.387 336 M HN 0.049 nan 8.290 nan 0.000 0.420 337 L N -0.962 120.138 121.223 -0.204 0.000 2.141 337 L HA -0.119 4.219 4.340 -0.004 0.000 0.209 337 L C 1.997 178.685 176.870 -0.302 0.000 1.094 337 L CA 0.877 55.539 54.840 -0.297 0.000 0.763 337 L CB -0.230 41.600 42.059 -0.382 0.000 0.908 337 L HN 0.073 nan 8.230 nan 0.000 0.437 338 V N -1.116 118.608 119.914 -0.317 0.000 2.379 338 V HA -0.244 3.874 4.120 -0.004 0.000 0.245 338 V C 2.435 178.431 176.094 -0.163 0.000 1.044 338 V CA 2.130 64.186 62.300 -0.407 0.000 1.036 338 V CB -0.607 31.009 31.823 -0.345 0.000 0.664 338 V HN 0.492 nan 8.190 nan 0.000 0.453 339 T N 0.710 115.204 114.554 -0.099 0.000 2.684 339 T HA -0.217 4.131 4.350 -0.004 0.000 0.267 339 T C 1.898 176.574 174.700 -0.039 0.000 1.036 339 T CA 2.066 64.111 62.100 -0.091 0.000 1.148 339 T CB -0.347 68.361 68.868 -0.266 0.000 0.863 339 T HN 0.336 nan 8.240 nan 0.000 0.436 340 L N 1.204 122.401 121.223 -0.042 0.000 2.093 340 L HA 0.129 4.467 4.340 -0.004 0.000 0.208 340 L C 2.573 179.446 176.870 0.006 0.000 1.085 340 L CA 1.789 56.643 54.840 0.023 0.000 0.755 340 L CB -0.844 41.242 42.059 0.045 0.000 0.904 340 L HN 0.207 nan 8.230 nan 0.000 0.435 341 A N -1.322 121.465 122.820 -0.055 0.000 1.902 341 A HA -0.188 4.130 4.320 -0.004 0.000 0.217 341 A C 2.417 179.941 177.584 -0.099 0.000 1.181 341 A CA 1.917 53.924 52.037 -0.049 0.000 0.623 341 A CB -1.006 17.985 19.000 -0.016 0.000 0.818 341 A HN 0.513 nan 8.150 nan 0.000 0.443 342 S N -0.558 115.108 115.700 -0.057 0.000 2.370 342 S HA -0.181 4.286 4.470 -0.004 0.000 0.226 342 S C 1.993 176.581 174.600 -0.020 0.000 1.033 342 S CA 1.840 60.039 58.200 -0.001 0.000 1.011 342 S CB -0.398 62.917 63.200 0.192 0.000 0.852 342 S HN 0.596 nan 8.310 nan 0.000 0.457 343 M N 0.478 120.081 119.600 0.006 0.000 2.213 343 M HA -0.054 4.424 4.480 -0.004 0.000 0.263 343 M C 1.637 177.971 176.300 0.056 0.000 1.062 343 M CA 1.205 56.530 55.300 0.042 0.000 1.105 343 M CB -0.499 32.125 32.600 0.041 0.000 1.385 343 M HN 0.258 nan 8.290 nan 0.000 0.417 344 L N -0.788 120.426 121.223 -0.014 0.000 2.313 344 L HA 0.095 4.433 4.340 -0.004 0.000 0.214 344 L C 1.631 178.414 176.870 -0.145 0.000 1.119 344 L CA 0.689 55.514 54.840 -0.025 0.000 0.809 344 L CB -0.743 41.316 42.059 0.000 0.000 0.933 344 L HN 0.569 nan 8.230 nan 0.000 0.449 345 G N -0.370 108.197 108.800 -0.389 0.000 2.148 345 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.254 345 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.254 345 G C 0.782 175.348 174.900 -0.556 0.000 0.981 345 G CA 0.489 45.208 45.100 -0.636 0.000 0.670 345 G HN 0.492 nan 8.290 nan 0.000 0.528 346 Q N -0.608 118.940 119.800 -0.420 0.000 2.319 346 Q HA 0.348 4.686 4.340 -0.004 0.000 0.202 346 Q C 1.235 177.080 176.000 -0.259 0.000 0.896 346 Q CA -0.204 55.442 55.803 -0.261 0.000 0.942 346 Q CB 0.569 29.212 28.738 -0.158 0.000 1.083 346 Q HN 0.718 nan 8.270 nan 0.000 0.510 347 I N 0.968 121.308 120.570 -0.385 0.000 2.752 347 I HA -0.085 4.083 4.170 -0.004 0.000 0.289 347 I C 1.257 177.321 176.117 -0.089 0.000 1.197 347 I CA 1.014 62.195 61.300 -0.197 0.000 1.432 347 I CB 0.278 38.199 38.000 -0.131 0.000 1.359 347 I HN 0.405 nan 8.210 nan 0.000 0.571 348 G N 5.134 113.925 108.800 -0.016 0.000 2.179 348 G HA2 -0.258 3.699 3.960 -0.004 0.000 0.260 348 G HA3 -0.258 3.699 3.960 -0.004 0.000 0.260 348 G C -0.054 174.820 174.900 -0.043 0.000 0.977 348 G CA -0.408 44.706 45.100 0.023 0.000 0.641 348 G HN 0.463 nan 8.290 nan 0.000 0.533 349 L N 2.075 123.256 121.223 -0.071 0.000 2.325 349 L HA 0.474 4.811 4.340 -0.004 0.000 0.279 349 L C -1.658 175.171 176.870 -0.070 0.000 1.054 349 L CA -2.432 52.368 54.840 -0.066 0.000 0.804 349 L CB 1.457 43.474 42.059 -0.069 0.000 1.200 349 L HN -0.119 nan 8.230 nan 0.000 0.436 350 P HA 0.017 nan 4.420 nan 0.000 0.262 350 P C 0.742 178.012 177.300 -0.051 0.000 1.199 350 P CA 0.741 63.808 63.100 -0.055 0.000 0.763 350 P CB 0.748 32.427 31.700 -0.034 0.000 0.790 351 G N 2.183 110.947 108.800 -0.059 0.000 2.225 351 G HA2 -0.159 3.798 3.960 -0.004 0.000 0.254 351 G HA3 -0.159 3.798 3.960 -0.004 0.000 0.254 351 G C 0.440 175.289 174.900 -0.086 0.000 0.988 351 G CA -0.058 45.003 45.100 -0.065 0.000 0.625 351 G HN 0.899 nan 8.290 nan 0.000 0.527 352 G N -1.613 107.134 108.800 -0.087 0.000 2.887 352 G HA2 0.887 4.845 3.960 -0.004 0.000 0.277 352 G HA3 0.887 4.845 3.960 -0.004 0.000 0.277 352 G C 0.852 175.692 174.900 -0.100 0.000 1.346 352 G CA 0.945 45.987 45.100 -0.097 0.000 1.058 352 G HN 1.922 nan 8.290 nan 0.000 0.535 353 G N -1.254 107.492 108.800 -0.090 0.000 2.516 353 G HA2 0.410 4.368 3.960 -0.004 0.000 0.220 353 G HA3 0.410 4.368 3.960 -0.004 0.000 0.220 353 G C -0.316 174.627 174.900 0.071 0.000 1.165 353 G CA 0.363 45.430 45.100 -0.056 0.000 1.013 353 G HN 2.109 nan 8.290 nan 0.000 0.590 354 F N -1.209 118.725 119.950 -0.026 0.000 2.686 354 F HA 0.836 5.360 4.527 -0.004 0.000 0.311 354 F C 0.013 175.873 175.800 0.099 0.000 1.128 354 F CA -0.383 57.628 58.000 0.018 0.000 0.946 354 F CB 1.505 40.506 39.000 0.002 0.000 1.336 354 F HN 1.522 nan 8.300 nan 0.000 0.457 355 G N 1.147 110.113 108.800 0.277 0.000 2.701 355 G HA2 0.551 4.509 3.960 -0.004 0.000 0.300 355 G HA3 0.551 4.509 3.960 -0.004 0.000 0.300 355 G C -1.114 173.972 174.900 0.311 0.000 1.410 355 G CA -0.947 44.245 45.100 0.153 0.000 1.014 355 G HN 0.864 nan 8.290 nan 0.000 0.509 356 L N 0.935 122.312 121.223 0.257 0.000 2.728 356 L HA 0.313 4.651 4.340 -0.004 0.000 0.238 356 L C 1.541 178.636 176.870 0.376 0.000 1.143 356 L CA 0.112 55.184 54.840 0.386 0.000 0.937 356 L CB 1.137 43.435 42.059 0.400 0.000 1.225 356 L HN 0.518 nan 8.230 nan 0.000 0.507 357 S N -1.563 114.198 115.700 0.101 0.000 2.952 357 S HA 0.208 4.676 4.470 -0.004 0.000 0.251 357 S C 0.847 175.358 174.600 -0.149 0.000 1.021 357 S CA -0.394 57.793 58.200 -0.023 0.000 1.067 357 S CB 0.121 63.350 63.200 0.048 0.000 1.002 357 S HN 0.265 nan 8.310 nan 0.000 0.574 358 Y N 1.477 121.837 120.300 0.099 0.000 2.571 358 Y HA 0.031 4.579 4.550 -0.004 0.000 0.294 358 Y C 2.304 178.370 175.900 0.277 0.000 1.141 358 Y CA 1.247 59.416 58.100 0.114 0.000 1.308 358 Y CB -0.064 38.455 38.460 0.099 0.000 1.002 358 Y HN 0.618 nan 8.280 nan 0.000 0.551 359 H N -3.347 115.854 119.070 0.219 0.000 2.586 359 H HA 0.121 4.674 4.556 -0.004 0.000 0.273 359 H C -0.709 174.677 175.328 0.097 0.000 0.997 359 H CA -0.127 55.993 56.048 0.120 0.000 1.177 359 H CB -0.482 29.291 29.762 0.019 0.000 1.471 359 H HN 0.295 nan 8.280 nan 0.000 0.538 360 Y N 1.354 121.303 120.300 -0.584 0.000 2.361 360 Y HA 0.402 4.950 4.550 -0.004 0.000 0.337 360 Y C 0.377 176.332 175.900 0.092 0.000 0.965 360 Y CA -0.733 57.170 58.100 -0.329 0.000 1.091 360 Y CB 1.536 39.619 38.460 -0.627 0.000 1.182 360 Y HN 0.150 nan 8.280 nan 0.000 0.450 361 S N 4.031 119.460 115.700 -0.452 0.000 3.477 361 S HA -0.226 4.242 4.470 -0.004 0.000 0.357 361 S C 0.997 175.666 174.600 0.116 0.000 1.083 361 S CA 1.651 59.686 58.200 -0.275 0.000 1.042 361 S CB -1.762 61.049 63.200 -0.649 0.000 0.911 361 S HN 2.095 nan 8.310 nan 0.000 0.490 362 G N -0.610 108.294 108.800 0.174 0.000 2.136 362 G HA2 -0.094 3.864 3.960 -0.004 0.000 0.242 362 G HA3 -0.094 3.864 3.960 -0.004 0.000 0.242 362 G C 0.309 175.367 174.900 0.263 0.000 0.989 362 G CA 0.095 45.357 45.100 0.269 0.000 0.682 362 G HN 1.550 nan 8.290 nan 0.000 0.522 363 G N -0.987 107.854 108.800 0.068 0.000 2.272 363 G HA2 0.516 4.474 3.960 -0.004 0.000 0.247 363 G HA3 0.516 4.474 3.960 -0.004 0.000 0.247 363 G C 1.395 176.119 174.900 -0.293 0.000 1.272 363 G CA 1.617 46.438 45.100 -0.465 0.000 0.921 363 G HN 1.890 nan 8.290 nan 0.000 0.495 364 G N 1.553 110.164 108.800 -0.315 0.000 2.231 364 G HA2 -0.226 3.731 3.960 -0.004 0.000 0.206 364 G HA3 -0.226 3.731 3.960 -0.004 0.000 0.206 364 G C 0.552 175.500 174.900 0.079 0.000 0.996 364 G CA 0.227 45.141 45.100 -0.309 0.000 0.645 364 G HN 1.051 nan 8.290 nan 0.000 0.498 365 T N 4.076 118.788 114.554 0.264 0.000 2.779 365 T HA 0.486 4.834 4.350 -0.004 0.000 0.296 365 T C -2.218 172.614 174.700 0.220 0.000 0.938 365 T CA -0.520 61.788 62.100 0.348 0.000 1.119 365 T CB 1.501 70.564 68.868 0.325 0.000 0.891 365 T HN 0.090 nan 8.240 nan 0.000 0.526 366 P HA 0.039 nan 4.420 nan 0.000 0.260 366 P C -0.402 176.972 177.300 0.123 0.000 1.172 366 P CA 0.108 63.300 63.100 0.153 0.000 0.760 366 P CB 0.233 32.028 31.700 0.157 0.000 0.773 367 S N 1.607 117.350 115.700 0.072 0.000 2.580 367 S HA 0.338 4.805 4.470 -0.004 0.000 0.274 367 S C 0.872 175.513 174.600 0.068 0.000 1.329 367 S CA -0.523 57.713 58.200 0.060 0.000 1.036 367 S CB 0.201 63.394 63.200 -0.011 0.000 0.919 367 S HN 0.600 nan 8.310 nan 0.000 0.515 368 T N -1.003 113.607 114.554 0.094 0.000 2.833 368 T HA 0.353 4.700 4.350 -0.004 0.000 0.292 368 T C 0.893 175.615 174.700 0.037 0.000 1.031 368 T CA -0.234 61.929 62.100 0.104 0.000 0.937 368 T CB 0.501 69.491 68.868 0.203 0.000 1.256 368 T HN 0.566 nan 8.240 nan 0.000 0.551 369 S N -1.476 114.234 115.700 0.018 0.000 2.601 369 S HA 0.434 4.902 4.470 -0.004 0.000 0.244 369 S C 0.978 175.469 174.600 -0.181 0.000 1.001 369 S CA -0.527 57.639 58.200 -0.057 0.000 0.984 369 S CB -0.487 62.698 63.200 -0.025 0.000 0.842 369 S HN 1.100 nan 8.310 nan 0.000 0.474 370 G N 3.111 111.717 108.800 -0.324 0.000 2.636 370 G HA2 0.478 4.435 3.960 -0.004 0.000 0.246 370 G HA3 0.478 4.435 3.960 -0.004 0.000 0.246 370 G C -2.222 172.257 174.900 -0.701 0.000 1.216 370 G CA -1.227 43.279 45.100 -0.990 0.000 0.854 370 G HN 0.302 nan 8.290 nan 0.000 0.572 371 P HA 0.363 nan 4.420 nan 0.000 0.275 371 P C -0.447 176.686 177.300 -0.278 0.000 1.270 371 P CA -0.178 62.691 63.100 -0.386 0.000 0.791 371 P CB 0.850 32.354 31.700 -0.327 0.000 1.089 372 A N 0.425 123.143 122.820 -0.170 0.000 2.312 372 A HA 0.525 4.842 4.320 -0.004 0.000 0.326 372 A C -0.631 176.902 177.584 -0.086 0.000 1.172 372 A CA -0.543 51.429 52.037 -0.109 0.000 0.821 372 A CB 0.093 19.038 19.000 -0.092 0.000 1.166 372 A HN 0.507 nan 8.150 nan 0.000 0.493 373 L N 1.813 123.003 121.223 -0.056 0.000 2.325 373 L HA 0.799 5.136 4.340 -0.004 0.000 0.279 373 L C 0.212 177.027 176.870 -0.092 0.000 1.054 373 L CA 0.228 55.039 54.840 -0.049 0.000 0.804 373 L CB 1.363 43.420 42.059 -0.003 0.000 1.200 373 L HN 0.943 nan 8.230 nan 0.000 0.436 374 A N 2.539 125.279 122.820 -0.132 0.000 2.479 374 A HA 0.966 5.284 4.320 -0.004 0.000 0.296 374 A C -0.480 176.782 177.584 -0.537 0.000 1.121 374 A CA 0.052 51.952 52.037 -0.228 0.000 0.743 374 A CB 1.509 20.422 19.000 -0.145 0.000 1.323 374 A HN 0.951 nan 8.150 nan 0.000 0.415 375 G N -0.745 107.624 108.800 -0.718 0.000 3.021 375 G HA2 0.537 4.494 3.960 -0.004 0.000 0.290 375 G HA3 0.537 4.494 3.960 -0.004 0.000 0.290 375 G C -0.754 173.661 174.900 -0.809 0.000 1.291 375 G CA -0.695 43.519 45.100 -1.476 0.000 0.834 375 G HN 0.968 nan 8.290 nan 0.000 0.564 376 I N 1.246 121.427 120.570 -0.648 0.000 2.880 376 I HA 0.287 4.454 4.170 -0.004 0.000 0.296 376 I C 1.205 177.150 176.117 -0.286 0.000 1.220 376 I CA 0.552 61.635 61.300 -0.362 0.000 1.435 376 I CB 0.899 38.614 38.000 -0.476 0.000 1.339 376 I HN 0.684 nan 8.210 nan 0.000 0.583 377 T N 1.467 115.892 114.554 -0.214 0.000 2.938 377 T HA 0.396 4.743 4.350 -0.004 0.000 0.285 377 T C 0.184 174.780 174.700 -0.174 0.000 1.028 377 T CA -0.305 61.699 62.100 -0.161 0.000 1.005 377 T CB 1.460 70.269 68.868 -0.097 0.000 1.157 377 T HN 0.627 nan 8.240 nan 0.000 0.550 378 D N -1.603 118.715 120.400 -0.135 0.000 2.325 378 D HA 0.370 5.008 4.640 -0.004 0.000 0.225 378 D C 1.530 177.778 176.300 -0.088 0.000 1.096 378 D CA 0.339 54.255 54.000 -0.139 0.000 0.844 378 D CB -0.304 40.422 40.800 -0.123 0.000 0.925 378 D HN 1.090 nan 8.370 nan 0.000 0.513 379 G N 0.339 109.098 108.800 -0.068 0.000 3.586 379 G HA2 -0.355 3.603 3.960 -0.004 0.000 0.212 379 G HA3 -0.355 3.603 3.960 -0.004 0.000 0.212 379 G C 1.601 176.491 174.900 -0.015 0.000 1.411 379 G CA 0.259 45.339 45.100 -0.034 0.000 0.898 379 G HN 0.779 nan 8.290 nan 0.000 0.575 380 G N 1.453 110.250 108.800 -0.005 0.000 3.197 380 G HA2 -0.027 3.931 3.960 -0.004 0.000 0.232 380 G HA3 -0.027 3.931 3.960 -0.004 0.000 0.232 380 G C 1.841 176.733 174.900 -0.012 0.000 1.074 380 G CA 3.322 48.419 45.100 -0.005 0.000 0.721 380 G HN 2.047 nan 8.290 nan 0.000 0.685 381 A N -0.521 122.290 122.820 -0.015 0.000 2.259 381 A HA 0.667 4.985 4.320 -0.004 0.000 0.208 381 A C 1.653 179.231 177.584 -0.011 0.000 1.201 381 A CA 1.494 53.522 52.037 -0.015 0.000 0.824 381 A CB -0.019 18.971 19.000 -0.018 0.000 0.838 381 A HN 1.403 nan 8.150 nan 0.000 0.485 382 A N -0.855 121.961 122.820 -0.007 0.000 2.579 382 A HA 0.465 4.782 4.320 -0.004 0.000 0.254 382 A C 0.860 178.444 177.584 -0.001 0.000 0.873 382 A CA 0.626 52.661 52.037 -0.003 0.000 1.106 382 A CB -0.558 18.442 19.000 0.000 0.000 1.222 382 A HN 0.425 nan 8.150 nan 0.000 0.470 383 T N -2.668 111.884 114.554 -0.003 0.000 1.944 383 T HA 0.691 5.039 4.350 -0.004 0.000 0.177 383 T C 0.212 174.910 174.700 -0.004 0.000 0.694 383 T CA 0.076 62.176 62.100 0.000 0.000 1.337 383 T CB 0.760 69.629 68.868 0.003 0.000 3.196 383 T HN 0.267 nan 8.240 nan 0.000 0.405 394 A N -0.450 122.422 122.820 0.086 0.000 2.386 394 A HA 0.576 4.894 4.320 -0.004 0.000 0.248 394 A C 1.430 179.065 177.584 0.084 0.000 1.082 394 A CA 0.905 52.990 52.037 0.081 0.000 0.789 394 A CB 0.573 19.660 19.000 0.146 0.000 1.025 394 A HN 1.829 nan 8.150 nan 0.000 0.490 395 S N -0.079 115.645 115.700 0.040 0.000 2.517 395 S HA 0.304 4.771 4.470 -0.004 0.000 0.214 395 S C 0.136 174.748 174.600 0.019 0.000 0.991 395 S CA 0.241 58.443 58.200 0.003 0.000 0.906 395 S CB -0.133 63.027 63.200 -0.066 0.000 0.789 395 S HN 0.565 nan 8.310 nan 0.000 0.513 396 V N 3.063 123.010 119.914 0.056 0.000 2.638 396 V HA 0.602 4.720 4.120 -0.004 0.000 0.306 396 V C -0.521 175.630 176.094 0.094 0.000 1.052 396 V CA -1.057 61.278 62.300 0.058 0.000 0.885 396 V CB 1.616 33.444 31.823 0.009 0.000 0.999 396 V HN 0.526 nan 8.190 nan 0.000 0.424 397 I N 2.083 122.698 120.570 0.076 0.000 2.740 397 I HA 0.764 4.932 4.170 -0.004 0.000 0.303 397 I C -2.828 173.201 176.117 -0.148 0.000 1.044 397 I CA -2.930 58.350 61.300 -0.033 0.000 1.064 397 I CB 2.365 40.362 38.000 -0.005 0.000 1.249 397 I HN 0.340 nan 8.210 nan 0.000 0.433 398 P HA 0.022 nan 4.420 nan 0.000 0.267 398 P C 1.233 178.415 177.300 -0.196 0.000 1.209 398 P CA -0.380 62.522 63.100 -0.330 0.000 0.763 398 P CB 0.872 32.335 31.700 -0.395 0.000 0.816 399 V N 2.641 122.456 119.914 -0.165 0.000 2.250 399 V HA -0.342 3.776 4.120 -0.004 0.000 0.253 399 V C 1.983 177.986 176.094 -0.153 0.000 1.065 399 V CA 2.342 64.575 62.300 -0.112 0.000 1.039 399 V CB -2.317 29.371 31.823 -0.225 0.000 0.647 399 V HN 0.523 nan 8.190 nan 0.000 0.446 400 A N 0.038 122.659 122.820 -0.331 0.000 2.209 400 A HA 0.015 4.332 4.320 -0.004 0.000 0.212 400 A C 1.947 179.527 177.584 -0.007 0.000 1.158 400 A CA 0.732 52.656 52.037 -0.188 0.000 0.742 400 A CB -0.459 18.320 19.000 -0.369 0.000 0.790 400 A HN 0.578 nan 8.150 nan 0.000 0.472 401 R N -0.310 120.128 120.500 -0.104 0.000 2.449 401 R HA 0.102 4.440 4.340 -0.004 0.000 0.262 401 R C 1.349 177.501 176.300 -0.247 0.000 1.006 401 R CA 0.424 56.448 56.100 -0.127 0.000 1.104 401 R CB -0.865 29.360 30.300 -0.125 0.000 1.206 401 R HN 0.380 nan 8.270 nan 0.000 0.538 402 V N 0.307 120.069 119.914 -0.253 0.000 2.427 402 V HA -0.188 3.930 4.120 -0.004 0.000 0.248 402 V C 1.908 177.768 176.094 -0.390 0.000 1.051 402 V CA 1.625 63.690 62.300 -0.392 0.000 1.048 402 V CB 0.075 31.699 31.823 -0.332 0.000 0.666 402 V HN 0.095 nan 8.190 nan 0.000 0.456 403 V N 0.236 119.998 119.914 -0.253 0.000 2.453 403 V HA -0.141 3.976 4.120 -0.004 0.000 0.247 403 V C 2.376 178.313 176.094 -0.263 0.000 1.048 403 V CA 2.129 64.326 62.300 -0.172 0.000 1.049 403 V CB -0.726 31.103 31.823 0.009 0.000 0.672 403 V HN 0.558 nan 8.190 nan 0.000 0.457 404 D N -0.312 119.903 120.400 -0.308 0.000 2.123 404 D HA -0.239 4.399 4.640 -0.004 0.000 0.196 404 D C 2.047 177.825 176.300 -0.869 0.000 0.992 404 D CA 1.731 55.471 54.000 -0.433 0.000 0.833 404 D CB -0.244 40.359 40.800 -0.329 0.000 0.954 404 D HN 0.380 nan 8.370 nan 0.000 0.455 405 M N 0.281 119.164 119.600 -1.195 0.000 2.115 405 M HA -0.213 4.265 4.480 -0.004 0.000 0.258 405 M C 2.198 178.119 176.300 -0.631 0.000 1.071 405 M CA 1.466 55.999 55.300 -1.278 0.000 1.100 405 M CB -0.236 31.894 32.600 -0.783 0.000 1.292 405 M HN -0.011 nan 8.290 nan 0.000 0.415 406 L N -0.114 120.819 121.223 -0.483 0.000 2.021 406 L HA -0.291 4.047 4.340 -0.004 0.000 0.215 406 L C 2.335 179.051 176.870 -0.256 0.000 1.074 406 L CA 1.923 56.554 54.840 -0.349 0.000 0.760 406 L CB -0.909 40.938 42.059 -0.354 0.000 0.889 406 L HN 0.467 nan 8.230 nan 0.000 0.433 407 E N -0.532 119.522 120.200 -0.244 0.000 2.208 407 E HA -0.069 4.279 4.350 -0.004 0.000 0.193 407 E C 0.383 176.905 176.600 -0.129 0.000 0.988 407 E CA 0.440 56.745 56.400 -0.158 0.000 0.828 407 E CB 0.202 29.825 29.700 -0.129 0.000 0.763 407 E HN 0.422 nan 8.360 nan 0.000 0.478 408 N N 1.269 119.865 118.700 -0.174 0.000 2.818 408 N HA 0.186 4.924 4.740 -0.004 0.000 0.301 408 N C -2.773 172.757 175.510 0.033 0.000 1.821 408 N CA -1.190 51.836 53.050 -0.041 0.000 0.930 408 N CB 1.357 39.872 38.487 0.046 0.000 1.263 408 N HN -0.032 nan 8.380 nan 0.000 0.487 409 P HA 0.097 nan 4.420 nan 0.000 0.262 409 P C 1.048 178.412 177.300 0.107 0.000 1.199 409 P CA 0.818 63.946 63.100 0.047 0.000 0.763 409 P CB 0.557 32.254 31.700 -0.005 0.000 0.790 410 G N 2.122 111.021 108.800 0.165 0.000 2.241 410 G HA2 -0.197 3.761 3.960 -0.004 0.000 0.244 410 G HA3 -0.197 3.761 3.960 -0.004 0.000 0.244 410 G C 0.506 175.491 174.900 0.142 0.000 0.998 410 G CA 0.022 45.200 45.100 0.129 0.000 0.621 410 G HN 0.838 nan 8.290 nan 0.000 0.519 411 A N 0.119 123.072 122.820 0.221 0.000 2.346 411 A HA 0.643 4.960 4.320 -0.004 0.000 0.252 411 A C 0.473 178.128 177.584 0.118 0.000 1.089 411 A CA 0.386 52.539 52.037 0.193 0.000 0.797 411 A CB 0.338 19.498 19.000 0.266 0.000 1.047 411 A HN 0.477 nan 8.150 nan 0.000 0.494 412 E N -1.037 119.185 120.200 0.036 0.000 2.280 412 E HA 0.591 4.939 4.350 -0.004 0.000 0.264 412 E C -1.239 175.310 176.600 -0.085 0.000 1.064 412 E CA -0.126 56.216 56.400 -0.098 0.000 0.900 412 E CB 1.338 30.985 29.700 -0.088 0.000 1.123 412 E HN 0.547 nan 8.360 nan 0.000 0.418 413 F N -1.286 118.487 119.950 -0.295 0.000 2.641 413 F HA 0.436 4.961 4.527 -0.004 0.000 0.308 413 F C -1.202 174.515 175.800 -0.140 0.000 1.105 413 F CA -1.167 56.667 58.000 -0.276 0.000 0.964 413 F CB 1.221 39.889 39.000 -0.553 0.000 1.294 413 F HN 0.105 nan 8.300 nan 0.000 0.442 414 D N 2.291 122.741 120.400 0.084 0.000 2.175 414 D HA 0.466 5.103 4.640 -0.004 0.000 0.248 414 D C -1.677 174.758 176.300 0.225 0.000 1.047 414 D CA 0.163 54.189 54.000 0.043 0.000 0.883 414 D CB 2.441 43.197 40.800 -0.074 0.000 1.180 414 D HN 0.579 nan 8.370 nan 0.000 0.438 415 F N 2.415 122.378 119.950 0.021 0.000 2.722 415 F HA 0.143 4.667 4.527 -0.004 0.000 0.336 415 F C 0.092 175.946 175.800 0.091 0.000 1.216 415 F CA -0.804 57.236 58.000 0.068 0.000 1.065 415 F CB 0.690 39.782 39.000 0.153 0.000 1.325 415 F HN 0.205 nan 8.300 nan 0.000 0.524 416 N N 3.995 122.347 118.700 -0.580 0.000 2.710 416 N HA -0.185 4.553 4.740 -0.004 0.000 0.249 416 N C 0.846 176.316 175.510 -0.067 0.000 1.059 416 N CA 2.145 54.960 53.050 -0.392 0.000 0.720 416 N CB -0.967 37.098 38.487 -0.703 0.000 0.983 416 N HN 1.697 nan 8.380 nan 0.000 0.544 417 G N -3.018 105.855 108.800 0.121 0.000 2.176 417 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.232 417 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.232 417 G C 0.190 175.108 174.900 0.030 0.000 0.986 417 G CA 1.148 46.259 45.100 0.018 0.000 0.643 417 G HN 1.372 nan 8.290 nan 0.000 0.522 418 T N -2.057 112.531 114.554 0.057 0.000 2.940 418 T HA 0.778 5.126 4.350 -0.004 0.000 0.288 418 T C -0.303 174.379 174.700 -0.030 0.000 1.045 418 T CA -0.707 61.397 62.100 0.007 0.000 1.018 418 T CB 2.430 71.299 68.868 0.000 0.000 1.151 418 T HN 0.314 nan 8.240 nan 0.000 0.529 419 R N 1.139 121.571 120.500 -0.112 0.000 2.534 419 R HA 0.692 5.029 4.340 -0.004 0.000 0.301 419 R C -0.990 175.091 176.300 -0.365 0.000 0.961 419 R CA -0.594 55.372 56.100 -0.224 0.000 0.871 419 R CB 2.241 32.453 30.300 -0.146 0.000 1.170 419 R HN 0.854 nan 8.270 nan 0.000 0.446 420 S N 1.573 116.845 115.700 -0.713 0.000 2.697 420 S HA 0.512 4.979 4.470 -0.004 0.000 0.289 420 S C -1.019 173.167 174.600 -0.690 0.000 1.149 420 S CA -0.941 56.855 58.200 -0.673 0.000 0.850 420 S CB 2.448 65.225 63.200 -0.705 0.000 1.151 420 S HN 0.359 nan 8.310 nan 0.000 0.491 421 K N 0.341 120.554 120.400 -0.311 0.000 2.156 421 K HA 0.537 4.855 4.320 -0.004 0.000 0.254 421 K C -1.294 175.375 176.600 0.115 0.000 0.950 421 K CA -0.501 55.720 56.287 -0.109 0.000 0.849 421 K CB 0.796 33.285 32.500 -0.019 0.000 1.100 421 K HN 0.345 nan 8.250 nan 0.000 0.434 422 F N 3.564 123.672 119.950 0.262 0.000 2.443 422 F HA 0.175 4.699 4.527 -0.004 0.000 0.353 422 F C -1.516 174.338 175.800 0.090 0.000 1.101 422 F CA -1.895 56.221 58.000 0.194 0.000 1.226 422 F CB 0.173 39.228 39.000 0.092 0.000 1.140 422 F HN 0.358 nan 8.300 nan 0.000 0.557 423 P HA 0.050 nan 4.420 nan 0.000 0.276 423 P C -0.887 176.462 177.300 0.082 0.000 1.252 423 P CA -0.383 62.805 63.100 0.146 0.000 0.802 423 P CB 0.954 32.734 31.700 0.133 0.000 1.035 424 D N 0.961 121.387 120.400 0.042 0.000 2.500 424 D HA 0.198 4.836 4.640 -0.004 0.000 0.219 424 D C -0.446 175.805 176.300 -0.082 0.000 1.137 424 D CA -0.386 53.600 54.000 -0.025 0.000 0.946 424 D CB -0.453 40.339 40.800 -0.013 0.000 1.022 424 D HN -0.090 nan 8.370 nan 0.000 0.518 425 V N 4.578 124.431 119.914 -0.102 0.000 2.614 425 V HA 0.145 4.263 4.120 -0.004 0.000 0.291 425 V C 1.461 177.432 176.094 -0.206 0.000 1.049 425 V CA 0.065 62.298 62.300 -0.111 0.000 1.038 425 V CB 1.556 33.319 31.823 -0.100 0.000 0.980 425 V HN 0.410 nan 8.190 nan 0.000 0.481 426 K N 3.448 123.723 120.400 -0.209 0.000 2.464 426 K HA 0.369 4.686 4.320 -0.004 0.000 0.206 426 K C -0.059 176.487 176.600 -0.090 0.000 1.186 426 K CA 0.218 56.350 56.287 -0.258 0.000 0.990 426 K CB 1.072 33.237 32.500 -0.558 0.000 1.003 426 K HN 0.678 nan 8.250 nan 0.000 0.562 427 M N 0.422 120.022 119.600 -0.001 0.000 2.433 427 M HA 0.497 4.975 4.480 -0.004 0.000 0.290 427 M C -2.071 174.334 176.300 0.174 0.000 1.173 427 M CA -0.573 54.785 55.300 0.096 0.000 0.905 427 M CB 2.438 35.130 32.600 0.154 0.000 1.692 427 M HN -0.050 nan 8.290 nan 0.000 0.462 428 A N 3.333 126.317 122.820 0.273 0.000 2.331 428 A HA 0.703 5.020 4.320 -0.004 0.000 0.320 428 A C -2.293 175.613 177.584 0.537 0.000 1.138 428 A CA -0.379 51.949 52.037 0.485 0.000 0.790 428 A CB 0.992 20.369 19.000 0.630 0.000 1.206 428 A HN 0.796 nan 8.150 nan 0.000 0.470 429 Y N 2.404 122.889 120.300 0.309 0.000 2.328 429 Y HA 0.513 5.061 4.550 -0.003 0.000 0.333 429 Y C -1.138 174.859 175.900 0.163 0.000 0.958 429 Y CA -1.184 57.019 58.100 0.171 0.000 1.167 429 Y CB 0.991 39.475 38.460 0.040 0.000 1.151 429 Y HN 0.699 nan 8.280 nan 0.000 0.470 430 W N 7.934 129.414 121.300 0.301 0.000 2.600 430 W HA 0.630 5.288 4.660 -0.003 0.000 0.325 430 W C -1.463 175.136 176.519 0.134 0.000 1.034 430 W CA -0.857 56.641 57.345 0.254 0.000 1.226 430 W CB 1.760 31.424 29.460 0.340 0.000 1.379 430 W HN 0.409 nan 8.180 nan 0.000 0.466 431 V N 1.401 121.504 119.914 0.316 0.000 2.914 431 V HA 0.874 4.992 4.120 -0.004 0.000 0.314 431 V C 0.589 176.852 176.094 0.282 0.000 1.084 431 V CA -0.299 62.141 62.300 0.234 0.000 0.963 431 V CB 1.227 33.133 31.823 0.140 0.000 1.025 431 V HN 1.011 nan 8.190 nan 0.000 0.432 432 G N 1.196 110.142 108.800 0.244 0.000 2.296 432 G HA2 0.159 4.117 3.960 -0.004 0.000 0.282 432 G HA3 0.159 4.117 3.960 -0.004 0.000 0.282 432 G C 0.571 175.647 174.900 0.294 0.000 1.014 432 G CA 0.846 46.081 45.100 0.224 0.000 0.812 432 G HN 2.169 nan 8.290 nan 0.000 0.508 433 G N -1.424 107.619 108.800 0.405 0.000 2.695 433 G HA2 0.556 4.514 3.960 -0.004 0.000 0.290 433 G HA3 0.556 4.514 3.960 -0.004 0.000 0.290 433 G C -0.979 174.060 174.900 0.230 0.000 1.410 433 G CA -0.376 45.007 45.100 0.471 0.000 0.844 433 G HN 0.430 nan 8.290 nan 0.000 0.478 434 N N 0.634 119.432 118.700 0.163 0.000 2.733 434 N HA 0.329 5.066 4.740 -0.004 0.000 0.271 434 N C -1.685 173.495 175.510 -0.550 0.000 1.720 434 N CA -1.704 51.273 53.050 -0.121 0.000 0.803 434 N CB 2.121 40.606 38.487 -0.004 0.000 1.208 434 N HN 0.141 nan 8.380 nan 0.000 0.498 435 P HA -0.073 nan 4.420 nan 0.000 0.221 435 P C 0.772 177.469 177.300 -1.005 0.000 1.145 435 P CA 0.800 63.025 63.100 -1.459 0.000 0.795 435 P CB -0.006 30.811 31.700 -1.472 0.000 0.775 436 F N -0.917 118.591 119.950 -0.737 0.000 2.769 436 F HA 0.033 4.558 4.527 -0.004 0.000 0.304 436 F C 1.928 177.491 175.800 -0.394 0.000 1.158 436 F CA 0.460 58.099 58.000 -0.601 0.000 1.398 436 F CB -0.132 38.525 39.000 -0.572 0.000 1.094 436 F HN -0.232 nan 8.300 nan 0.000 0.553 437 V N -1.757 118.027 119.914 -0.217 0.000 3.229 437 V HA -0.089 4.028 4.120 -0.004 0.000 0.239 437 V C 2.124 178.182 176.094 -0.059 0.000 1.390 437 V CA 0.718 62.985 62.300 -0.056 0.000 1.231 437 V CB -0.288 31.593 31.823 0.097 0.000 1.025 437 V HN 0.399 nan 8.190 nan 0.000 0.461 438 H N -0.520 118.478 119.070 -0.120 0.000 2.512 438 H HA 0.050 4.604 4.556 -0.004 0.000 0.279 438 H C 0.983 176.204 175.328 -0.177 0.000 0.999 438 H CA 0.451 56.391 56.048 -0.180 0.000 1.283 438 H CB 0.165 29.755 29.762 -0.286 0.000 1.421 438 H HN 0.493 nan 8.280 nan 0.000 0.554 439 H N 1.750 120.695 119.070 -0.209 0.000 2.525 439 H HA 0.177 4.731 4.556 -0.004 0.000 0.339 439 H C -0.340 174.934 175.328 -0.089 0.000 1.109 439 H CA -0.481 55.536 56.048 -0.051 0.000 1.352 439 H CB 1.067 30.735 29.762 -0.156 0.000 1.461 439 H HN 0.203 nan 8.280 nan 0.000 0.533 440 Q N 1.799 121.245 119.800 -0.589 0.000 2.394 440 Q HA 0.156 4.493 4.340 -0.004 0.000 0.248 440 Q C -0.288 175.492 176.000 -0.367 0.000 0.992 440 Q CA 0.180 55.747 55.803 -0.393 0.000 0.888 440 Q CB 0.282 28.834 28.738 -0.310 0.000 1.257 440 Q HN 0.756 nan 8.270 nan 0.000 0.462 441 D N 0.323 120.585 120.400 -0.230 0.000 3.133 441 D HA -0.190 4.447 4.640 -0.004 0.000 0.239 441 D C 0.596 176.775 176.300 -0.201 0.000 1.136 441 D CA 0.351 54.243 54.000 -0.179 0.000 0.898 441 D CB -0.243 40.470 40.800 -0.146 0.000 0.959 441 D HN 0.661 nan 8.370 nan 0.000 0.415 442 R N 1.727 122.076 120.500 -0.252 0.000 2.112 442 R HA -0.146 4.192 4.340 -0.004 0.000 0.242 442 R C 1.936 178.085 176.300 -0.253 0.000 1.137 442 R CA 2.335 58.219 56.100 -0.361 0.000 0.944 442 R CB -0.287 29.671 30.300 -0.571 0.000 0.857 442 R HN 0.414 nan 8.270 nan 0.000 0.435 443 N N 0.150 118.762 118.700 -0.147 0.000 2.149 443 N HA -0.195 4.542 4.740 -0.004 0.000 0.188 443 N C 1.748 177.226 175.510 -0.054 0.000 1.019 443 N CA 1.314 54.327 53.050 -0.061 0.000 0.857 443 N CB -0.290 38.186 38.487 -0.018 0.000 0.997 443 N HN 0.322 nan 8.380 nan 0.000 0.426 444 R N 0.935 121.393 120.500 -0.071 0.000 2.066 444 R HA -0.027 4.311 4.340 -0.004 0.000 0.232 444 R C 2.319 178.590 176.300 -0.048 0.000 1.131 444 R CA 1.076 57.146 56.100 -0.050 0.000 0.955 444 R CB -0.199 30.069 30.300 -0.054 0.000 0.851 444 R HN 0.187 nan 8.270 nan 0.000 0.432 445 M N 0.250 119.792 119.600 -0.096 0.000 2.175 445 M HA -0.125 4.353 4.480 -0.004 0.000 0.264 445 M C 1.810 178.050 176.300 -0.098 0.000 1.063 445 M CA 1.469 56.697 55.300 -0.121 0.000 1.119 445 M CB 0.062 32.474 32.600 -0.313 0.000 1.377 445 M HN 0.084 nan 8.290 nan 0.000 0.415 446 V N 1.327 121.175 119.914 -0.109 0.000 2.332 446 V HA -0.313 3.804 4.120 -0.004 0.000 0.248 446 V C 2.431 178.588 176.094 0.105 0.000 1.055 446 V CA 2.428 64.745 62.300 0.029 0.000 1.038 446 V CB -0.727 31.140 31.823 0.073 0.000 0.651 446 V HN 0.596 nan 8.190 nan 0.000 0.450 447 K N -0.016 120.423 120.400 0.065 0.000 2.167 447 K HA -0.011 4.307 4.320 -0.004 0.000 0.203 447 K C 2.077 178.719 176.600 0.069 0.000 1.052 447 K CA 1.245 57.572 56.287 0.067 0.000 0.956 447 K CB -0.310 32.213 32.500 0.038 0.000 0.735 447 K HN 0.393 nan 8.250 nan 0.000 0.451 448 A N 0.710 123.567 122.820 0.062 0.000 1.972 448 A HA -0.164 4.154 4.320 -0.004 0.000 0.219 448 A C 1.921 179.544 177.584 0.066 0.000 1.169 448 A CA 1.011 53.070 52.037 0.037 0.000 0.635 448 A CB -1.046 17.963 19.000 0.015 0.000 0.810 448 A HN 0.645 nan 8.150 nan 0.000 0.446 449 W N 0.971 122.199 121.300 -0.119 0.000 2.468 449 W HA -0.107 4.550 4.660 -0.004 0.000 0.262 449 W C 1.464 177.949 176.519 -0.056 0.000 1.241 449 W CA 1.341 58.617 57.345 -0.115 0.000 1.232 449 W CB 0.031 29.440 29.460 -0.086 0.000 1.124 449 W HN 0.603 nan 8.180 nan 0.000 0.597 450 E N -0.008 120.265 120.200 0.122 0.000 2.268 450 E HA -0.208 4.140 4.350 -0.004 0.000 0.195 450 E C 2.019 178.618 176.600 -0.002 0.000 0.995 450 E CA 0.566 57.009 56.400 0.071 0.000 0.836 450 E CB -0.275 29.467 29.700 0.071 0.000 0.763 450 E HN 0.126 nan 8.360 nan 0.000 0.491 451 K N 0.978 121.339 120.400 -0.065 0.000 2.283 451 K HA -0.063 4.254 4.320 -0.004 0.000 0.202 451 K C 0.409 176.920 176.600 -0.148 0.000 1.048 451 K CA 0.376 56.597 56.287 -0.110 0.000 0.948 451 K CB -0.000 32.406 32.500 -0.156 0.000 0.742 451 K HN 0.107 nan 8.250 nan 0.000 0.458 452 L N 1.610 122.714 121.223 -0.197 0.000 2.290 452 L HA 0.117 4.455 4.340 -0.004 0.000 0.284 452 L C 1.388 178.237 176.870 -0.035 0.000 1.078 452 L CA -0.301 54.425 54.840 -0.189 0.000 0.815 452 L CB 1.286 43.132 42.059 -0.355 0.000 1.162 452 L HN 0.051 nan 8.230 nan 0.000 0.435 453 E N 1.218 121.427 120.200 0.015 0.000 2.051 453 E HA -0.080 4.268 4.350 -0.004 0.000 0.192 453 E C -0.124 176.610 176.600 0.224 0.000 0.991 453 E CA 1.168 57.647 56.400 0.132 0.000 0.799 453 E CB 0.183 29.977 29.700 0.157 0.000 0.748 453 E HN 0.619 nan 8.360 nan 0.000 0.449 454 T N 0.092 114.742 114.554 0.161 0.000 2.886 454 T HA 0.399 4.747 4.350 -0.004 0.000 0.292 454 T C -1.357 173.430 174.700 0.145 0.000 1.012 454 T CA -0.588 61.563 62.100 0.086 0.000 0.982 454 T CB 1.537 70.476 68.868 0.118 0.000 1.018 454 T HN -0.047 nan 8.240 nan 0.000 0.451 455 F N 3.948 123.839 119.950 -0.099 0.000 2.553 455 F HA 0.622 5.147 4.527 -0.004 0.000 0.335 455 F C -1.165 174.598 175.800 -0.062 0.000 1.148 455 F CA -1.415 56.607 58.000 0.038 0.000 0.963 455 F CB 0.853 39.996 39.000 0.239 0.000 1.217 455 F HN 0.309 nan 8.300 nan 0.000 0.441 456 V N 6.303 125.971 119.914 -0.410 0.000 2.435 456 V HA 0.699 4.816 4.120 -0.004 0.000 0.290 456 V C -0.495 175.227 176.094 -0.620 0.000 1.030 456 V CA -0.858 61.075 62.300 -0.610 0.000 0.881 456 V CB 1.349 32.611 31.823 -0.934 0.000 0.983 456 V HN 0.516 nan 8.190 nan 0.000 0.445 457 V N 4.154 123.802 119.914 -0.443 0.000 2.709 457 V HA 0.498 4.616 4.120 -0.004 0.000 0.308 457 V C -0.775 175.319 176.094 -0.000 0.000 1.062 457 V CA -0.657 61.498 62.300 -0.242 0.000 0.901 457 V CB 2.079 33.690 31.823 -0.353 0.000 1.003 457 V HN 0.975 nan 8.190 nan 0.000 0.425 458 H N 2.848 121.902 119.070 -0.026 0.000 2.505 458 H HA 0.687 5.241 4.556 -0.004 0.000 0.338 458 H C -1.057 174.234 175.328 -0.062 0.000 1.057 458 H CA -0.718 55.308 56.048 -0.037 0.000 1.202 458 H CB 2.151 31.937 29.762 0.039 0.000 1.466 458 H HN 0.598 nan 8.280 nan 0.000 0.499 459 D N 1.865 122.241 120.400 -0.040 0.000 2.639 459 D HA 0.029 4.666 4.640 -0.004 0.000 0.271 459 D C -0.453 175.746 176.300 -0.168 0.000 1.254 459 D CA -0.578 53.324 54.000 -0.163 0.000 0.810 459 D CB 1.656 42.299 40.800 -0.262 0.000 1.351 459 D HN 0.433 nan 8.370 nan 0.000 0.427 460 F N -0.653 119.256 119.950 -0.069 0.000 2.704 460 F HA 0.451 4.975 4.527 -0.004 0.000 0.304 460 F C 0.522 176.273 175.800 -0.082 0.000 1.094 460 F CA -0.199 57.750 58.000 -0.085 0.000 1.275 460 F CB 0.266 39.256 39.000 -0.017 0.000 1.073 460 F HN -0.095 nan 8.300 nan 0.000 0.586 461 Q N 0.386 120.056 119.800 -0.216 0.000 2.342 461 Q HA 0.164 4.502 4.340 -0.004 0.000 0.267 461 Q C -1.655 174.235 176.000 -0.184 0.000 1.038 461 Q CA -0.543 55.242 55.803 -0.031 0.000 0.832 461 Q CB 1.799 30.631 28.738 0.157 0.000 1.323 461 Q HN 0.474 nan 8.270 nan 0.000 0.448 462 W N 3.021 124.259 121.300 -0.104 0.000 1.828 462 W HA 0.062 4.719 4.660 -0.003 0.000 0.470 462 W C 0.916 177.144 176.519 -0.484 0.000 0.786 462 W CA -0.068 57.139 57.345 -0.230 0.000 1.816 462 W CB 0.015 29.380 29.460 -0.158 0.000 1.798 462 W HN 0.399 nan 8.180 nan 0.000 0.252 463 T N -0.589 113.687 114.554 -0.463 0.000 2.788 463 T HA 0.163 4.511 4.350 -0.004 0.000 0.287 463 T C -1.466 172.959 174.700 -0.457 0.000 1.007 463 T CA -1.488 60.079 62.100 -0.889 0.000 1.005 463 T CB 1.287 69.766 68.868 -0.647 0.000 1.012 463 T HN -0.024 nan 8.240 nan 0.000 0.530 464 P HA -0.070 nan 4.420 nan 0.000 0.217 464 P C 1.612 178.836 177.300 -0.127 0.000 1.148 464 P CA 1.133 64.154 63.100 -0.132 0.000 0.828 464 P CB -0.306 31.395 31.700 0.002 0.000 0.783 465 T N -0.799 113.639 114.554 -0.194 0.000 2.788 465 T HA -0.108 4.240 4.350 -0.004 0.000 0.268 465 T C 1.866 176.495 174.700 -0.117 0.000 1.044 465 T CA 1.654 63.644 62.100 -0.183 0.000 1.139 465 T CB -0.767 68.050 68.868 -0.085 0.000 0.867 465 T HN 0.072 nan 8.240 nan 0.000 0.454 466 A N 1.536 124.284 122.820 -0.119 0.000 1.929 466 A HA -0.017 4.300 4.320 -0.004 0.000 0.216 466 A C 2.321 179.994 177.584 0.147 0.000 1.176 466 A CA 0.944 52.922 52.037 -0.098 0.000 0.628 466 A CB -0.369 18.464 19.000 -0.280 0.000 0.816 466 A HN 0.386 nan 8.150 nan 0.000 0.444 467 R N -1.215 119.411 120.500 0.210 0.000 2.152 467 R HA -0.135 4.203 4.340 -0.004 0.000 0.232 467 R C 1.233 177.565 176.300 0.054 0.000 1.117 467 R CA 1.545 57.782 56.100 0.228 0.000 0.981 467 R CB -0.375 29.922 30.300 -0.006 0.000 0.870 467 R HN 0.684 nan 8.270 nan 0.000 0.451 468 H N -0.511 118.507 119.070 -0.088 0.000 2.526 468 H HA 0.275 4.829 4.556 -0.004 0.000 0.274 468 H C 0.200 175.628 175.328 0.166 0.000 0.999 468 H CA 0.086 56.029 56.048 -0.176 0.000 1.157 468 H CB 0.419 29.628 29.762 -0.923 0.000 1.407 468 H HN 0.184 nan 8.280 nan 0.000 0.568 469 A N -0.061 122.936 122.820 0.295 0.000 2.286 469 A HA 0.134 4.451 4.320 -0.004 0.000 0.286 469 A C 0.703 178.402 177.584 0.192 0.000 1.097 469 A CA -0.475 51.685 52.037 0.204 0.000 0.821 469 A CB 0.659 19.565 19.000 -0.156 0.000 1.076 469 A HN 0.255 nan 8.150 nan 0.000 0.490 470 D N -0.089 120.332 120.400 0.034 0.000 2.183 470 D HA 0.114 4.752 4.640 -0.004 0.000 0.205 470 D C 0.021 176.259 176.300 -0.103 0.000 0.962 470 D CA 1.488 55.397 54.000 -0.152 0.000 0.849 470 D CB 0.143 40.572 40.800 -0.619 0.000 0.978 470 D HN 0.493 nan 8.370 nan 0.000 0.488 471 I N 1.045 121.525 120.570 -0.150 0.000 2.447 471 I HA 0.194 4.362 4.170 -0.004 0.000 0.287 471 I C -0.952 175.082 176.117 -0.139 0.000 1.023 471 I CA -0.751 60.490 61.300 -0.099 0.000 1.083 471 I CB 2.723 40.636 38.000 -0.145 0.000 1.245 471 I HN -0.388 nan 8.210 nan 0.000 0.434 472 V N 6.877 126.704 119.914 -0.145 0.000 2.444 472 V HA 0.534 4.652 4.120 -0.004 0.000 0.294 472 V C -0.260 175.641 176.094 -0.321 0.000 1.022 472 V CA -0.614 61.518 62.300 -0.279 0.000 0.850 472 V CB 1.608 33.131 31.823 -0.500 0.000 0.992 472 V HN 0.466 nan 8.190 nan 0.000 0.426 473 L N 6.330 127.390 121.223 -0.272 0.000 2.341 473 L HA 0.564 4.902 4.340 -0.004 0.000 0.278 473 L C -2.444 174.254 176.870 -0.286 0.000 1.005 473 L CA -1.919 52.718 54.840 -0.338 0.000 0.818 473 L CB 2.633 44.547 42.059 -0.242 0.000 1.259 473 L HN 0.391 nan 8.230 nan 0.000 0.418 474 P HA 0.166 nan 4.420 nan 0.000 0.275 474 P C -0.668 176.651 177.300 0.032 0.000 1.276 474 P CA -0.029 62.985 63.100 -0.143 0.000 0.782 474 P CB 1.188 32.798 31.700 -0.149 0.000 0.851 475 A N 4.249 127.089 122.820 0.034 0.000 2.264 475 A HA 0.671 4.989 4.320 -0.004 0.000 0.304 475 A C 0.594 178.251 177.584 0.121 0.000 1.100 475 A CA -0.298 51.792 52.037 0.089 0.000 0.839 475 A CB 0.222 19.315 19.000 0.156 0.000 1.121 475 A HN 0.551 nan 8.150 nan 0.000 0.496 476 T N -0.838 113.739 114.554 0.038 0.000 2.927 476 T HA 0.582 4.930 4.350 -0.004 0.000 0.281 476 T C 0.650 175.230 174.700 -0.200 0.000 0.998 476 T CA 0.092 62.147 62.100 -0.074 0.000 1.019 476 T CB 0.911 69.710 68.868 -0.116 0.000 1.061 476 T HN 1.060 nan 8.240 nan 0.000 0.518 477 T N -1.006 113.271 114.554 -0.460 0.000 2.729 477 T HA 0.253 4.601 4.350 -0.004 0.000 0.298 477 T C 1.481 175.877 174.700 -0.507 0.000 1.013 477 T CA -0.395 61.277 62.100 -0.714 0.000 0.957 477 T CB 0.217 68.599 68.868 -0.811 0.000 1.130 477 T HN 0.462 nan 8.240 nan 0.000 0.526 478 S N -0.325 114.934 115.700 -0.734 0.000 2.453 478 S HA 0.020 4.488 4.470 -0.004 0.000 0.231 478 S C 1.136 175.412 174.600 -0.539 0.000 1.005 478 S CA 0.434 58.258 58.200 -0.627 0.000 0.949 478 S CB -0.679 62.128 63.200 -0.655 0.000 0.774 478 S HN 0.720 nan 8.310 nan 0.000 0.510 479 Y N 1.135 121.415 120.300 -0.034 0.000 2.529 479 Y HA 0.264 4.812 4.550 -0.004 0.000 0.290 479 Y C 1.327 177.209 175.900 -0.031 0.000 1.177 479 Y CA -0.187 57.917 58.100 0.008 0.000 1.305 479 Y CB -0.453 38.072 38.460 0.109 0.000 1.047 479 Y HN 0.268 nan 8.280 nan 0.000 0.522 480 E N 0.744 120.914 120.200 -0.050 0.000 2.651 480 E HA 0.203 4.551 4.350 -0.004 0.000 0.208 480 E C 0.350 176.911 176.600 -0.065 0.000 0.997 480 E CA -0.276 56.095 56.400 -0.048 0.000 1.020 480 E CB 0.496 30.142 29.700 -0.089 0.000 1.052 480 E HN 0.388 nan 8.360 nan 0.000 0.465 481 R N -1.005 119.460 120.500 -0.059 0.000 2.844 481 R HA 0.440 4.778 4.340 -0.004 0.000 0.264 481 R C -1.071 175.276 176.300 0.078 0.000 1.077 481 R CA -0.914 55.162 56.100 -0.039 0.000 0.953 481 R CB 0.767 30.922 30.300 -0.242 0.000 1.272 481 R HN -0.188 nan 8.270 nan 0.000 0.447 482 N N -0.182 118.632 118.700 0.191 0.000 2.404 482 N HA 0.484 5.222 4.740 -0.004 0.000 0.297 482 N C -1.443 174.272 175.510 0.340 0.000 1.163 482 N CA -0.272 52.949 53.050 0.284 0.000 0.864 482 N CB 1.704 40.380 38.487 0.315 0.000 1.247 482 N HN 0.531 nan 8.380 nan 0.000 0.510 483 D N 0.143 120.762 120.400 0.366 0.000 2.807 483 D HA 0.375 5.013 4.640 -0.004 0.000 0.279 483 D C -1.452 175.053 176.300 0.341 0.000 1.247 483 D CA -0.436 53.743 54.000 0.299 0.000 0.749 483 D CB 2.151 43.083 40.800 0.220 0.000 1.264 483 D HN 0.379 nan 8.370 nan 0.000 0.421 484 I N 0.992 121.746 120.570 0.307 0.000 2.647 484 I HA 0.633 4.800 4.170 -0.004 0.000 0.295 484 I C -1.525 174.694 176.117 0.170 0.000 1.078 484 I CA -0.335 61.159 61.300 0.322 0.000 1.048 484 I CB 1.959 40.264 38.000 0.508 0.000 1.239 484 I HN 0.302 nan 8.210 nan 0.000 0.421 485 E N 3.426 123.695 120.200 0.115 0.000 2.407 485 E HA 0.440 4.787 4.350 -0.004 0.000 0.279 485 E C -1.525 175.093 176.600 0.030 0.000 1.012 485 E CA -0.458 55.960 56.400 0.030 0.000 0.800 485 E CB 2.152 31.831 29.700 -0.036 0.000 1.276 485 E HN 0.548 nan 8.360 nan 0.000 0.452 486 T N 2.394 116.955 114.554 0.012 0.000 2.910 486 T HA 0.494 4.841 4.350 -0.004 0.000 0.293 486 T C 0.175 174.875 174.700 0.000 0.000 1.015 486 T CA -0.204 61.913 62.100 0.028 0.000 1.094 486 T CB 0.151 69.039 68.868 0.033 0.000 0.968 486 T HN 0.292 nan 8.240 nan 0.000 0.521 487 I N 2.670 123.246 120.570 0.010 0.000 2.330 487 I HA 0.513 4.681 4.170 -0.004 0.000 0.286 487 I C 0.708 176.859 176.117 0.056 0.000 1.025 487 I CA -0.094 61.208 61.300 0.002 0.000 1.197 487 I CB 0.759 38.742 38.000 -0.028 0.000 1.358 487 I HN 0.894 nan 8.210 nan 0.000 0.467 488 G N 4.617 113.447 108.800 0.051 0.000 3.380 488 G HA2 -0.156 3.802 3.960 -0.004 0.000 0.685 488 G HA3 -0.156 3.802 3.960 -0.004 0.000 0.685 488 G C 0.019 174.942 174.900 0.037 0.000 1.136 488 G CA -0.785 44.362 45.100 0.077 0.000 1.011 488 G HN 0.681 nan 8.290 nan 0.000 0.471 489 D N 0.468 120.856 120.400 -0.020 0.000 2.144 489 D HA -0.105 4.533 4.640 -0.004 0.000 0.199 489 D C 1.508 177.604 176.300 -0.340 0.000 0.984 489 D CA 1.868 55.749 54.000 -0.198 0.000 0.834 489 D CB 0.301 40.918 40.800 -0.305 0.000 0.955 489 D HN 0.632 nan 8.370 nan 0.000 0.465 490 Y N -0.114 120.214 120.300 0.046 0.000 2.609 490 Y HA -0.004 4.544 4.550 -0.004 0.000 0.281 490 Y C 2.612 178.529 175.900 0.029 0.000 1.132 490 Y CA 0.456 58.573 58.100 0.028 0.000 1.264 490 Y CB -0.214 38.264 38.460 0.029 0.000 1.325 490 Y HN -0.102 nan 8.280 nan 0.000 0.514 491 S N -0.272 115.556 115.700 0.213 0.000 2.436 491 S HA -0.086 4.381 4.470 -0.004 0.000 0.228 491 S C 0.969 175.657 174.600 0.146 0.000 1.014 491 S CA 0.686 58.986 58.200 0.168 0.000 0.950 491 S CB -0.531 62.780 63.200 0.186 0.000 0.784 491 S HN 0.474 nan 8.310 nan 0.000 0.504 492 N N 1.173 119.955 118.700 0.136 0.000 2.714 492 N HA -0.145 4.593 4.740 -0.004 0.000 0.252 492 N C 0.442 176.115 175.510 0.271 0.000 1.014 492 N CA 0.934 54.089 53.050 0.175 0.000 0.735 492 N CB -1.980 36.584 38.487 0.129 0.000 0.924 492 N HN 0.512 nan 8.380 nan 0.000 0.540 493 T N -1.571 113.103 114.554 0.200 0.000 2.759 493 T HA 0.135 4.483 4.350 -0.004 0.000 0.269 493 T C 1.074 175.811 174.700 0.062 0.000 1.042 493 T CA 1.546 63.748 62.100 0.170 0.000 1.140 493 T CB -0.129 68.838 68.868 0.165 0.000 0.864 493 T HN 0.746 nan 8.240 nan 0.000 0.455 494 G N -0.776 108.024 108.800 -0.000 0.000 2.428 494 G HA2 0.558 4.515 3.960 -0.004 0.000 0.304 494 G HA3 0.558 4.515 3.960 -0.004 0.000 0.304 494 G C -2.045 172.798 174.900 -0.096 0.000 1.303 494 G CA -0.976 43.932 45.100 -0.319 0.000 0.825 494 G HN 0.216 nan 8.290 nan 0.000 0.484 495 I N 0.373 120.865 120.570 -0.130 0.000 2.433 495 I HA 0.508 4.676 4.170 -0.004 0.000 0.292 495 I C -0.820 175.380 176.117 0.139 0.000 1.001 495 I CA -0.753 60.585 61.300 0.064 0.000 1.119 495 I CB 1.958 40.022 38.000 0.107 0.000 1.289 495 I HN 0.397 nan 8.210 nan 0.000 0.438 496 L N 6.112 127.395 121.223 0.100 0.000 2.334 496 L HA 0.782 5.120 4.340 -0.004 0.000 0.273 496 L C -0.152 176.753 176.870 0.058 0.000 1.013 496 L CA -0.192 54.645 54.840 -0.005 0.000 0.816 496 L CB 1.708 43.652 42.059 -0.192 0.000 1.278 496 L HN 0.669 nan 8.230 nan 0.000 0.431 497 A N 5.816 128.484 122.820 -0.253 0.000 2.279 497 A HA 0.536 4.854 4.320 -0.004 0.000 0.306 497 A C -0.306 176.986 177.584 -0.487 0.000 1.300 497 A CA -0.379 51.336 52.037 -0.535 0.000 0.925 497 A CB -0.240 17.862 19.000 -1.497 0.000 1.152 497 A HN 0.777 nan 8.150 nan 0.000 0.544 498 M N 3.647 123.117 119.600 -0.217 0.000 2.435 498 M HA 0.157 4.634 4.480 -0.004 0.000 0.344 498 M C -0.005 176.238 176.300 -0.095 0.000 1.329 498 M CA 0.332 55.533 55.300 -0.165 0.000 1.320 498 M CB 0.167 32.736 32.600 -0.052 0.000 1.309 498 M HN 0.548 nan 8.290 nan 0.000 0.451 499 K N 2.175 122.443 120.400 -0.220 0.000 2.218 499 K HA 0.216 4.533 4.320 -0.004 0.000 0.276 499 K C 0.026 176.624 176.600 -0.004 0.000 1.022 499 K CA -0.477 55.753 56.287 -0.096 0.000 0.946 499 K CB 1.058 33.404 32.500 -0.257 0.000 1.000 499 K HN 0.380 nan 8.250 nan 0.000 0.468 500 K N 2.607 123.055 120.400 0.080 0.000 2.448 500 K HA -0.029 4.289 4.320 -0.004 0.000 0.278 500 K C 0.217 176.851 176.600 0.057 0.000 1.009 500 K CA 0.378 56.708 56.287 0.072 0.000 0.995 500 K CB 0.382 32.930 32.500 0.081 0.000 0.917 500 K HN 0.536 nan 8.250 nan 0.000 0.481 501 I N 3.339 123.960 120.570 0.086 0.000 3.194 501 I HA 0.022 4.189 4.170 -0.004 0.000 0.271 501 I C 0.056 176.227 176.117 0.091 0.000 1.150 501 I CA 0.023 61.381 61.300 0.096 0.000 1.440 501 I CB 0.884 38.985 38.000 0.168 0.000 1.276 501 I HN 0.525 nan 8.210 nan 0.000 0.457 502 V N -2.846 117.122 119.914 0.089 0.000 3.167 502 V HA 0.532 4.649 4.120 -0.004 0.000 0.310 502 V C -0.709 175.405 176.094 0.032 0.000 1.207 502 V CA -1.042 61.299 62.300 0.068 0.000 1.059 502 V CB 1.657 33.536 31.823 0.094 0.000 1.079 502 V HN -0.113 nan 8.190 nan 0.000 0.446 503 E N 1.396 121.607 120.200 0.018 0.000 2.366 503 E HA 0.396 4.744 4.350 -0.004 0.000 0.266 503 E C -2.597 173.987 176.600 -0.027 0.000 1.051 503 E CA -2.056 54.343 56.400 -0.002 0.000 0.884 503 E CB 0.695 30.394 29.700 -0.002 0.000 1.006 503 E HN 0.566 nan 8.360 nan 0.000 0.417 504 P HA -0.070 nan 4.420 nan 0.000 0.260 504 P C -0.135 177.134 177.300 -0.052 0.000 1.172 504 P CA 0.554 63.629 63.100 -0.042 0.000 0.760 504 P CB 0.286 31.971 31.700 -0.024 0.000 0.773 505 L N 4.403 125.575 121.223 -0.084 0.000 2.436 505 L HA 0.104 4.441 4.340 -0.004 0.000 0.265 505 L C 1.107 177.943 176.870 -0.057 0.000 1.168 505 L CA -0.260 54.475 54.840 -0.175 0.000 0.815 505 L CB -0.185 41.729 42.059 -0.242 0.000 1.109 505 L HN 0.545 nan 8.230 nan 0.000 0.462 506 Y N 0.924 121.229 120.300 0.008 0.000 2.782 506 Y HA -0.437 4.111 4.550 -0.004 0.000 0.470 506 Y C 1.240 177.180 175.900 0.066 0.000 1.120 506 Y CA 1.698 59.798 58.100 0.001 0.000 2.770 506 Y CB -0.729 37.631 38.460 -0.167 0.000 1.147 506 Y HN 0.587 nan 8.280 nan 0.000 0.619 507 E N 1.229 121.589 120.200 0.266 0.000 2.569 507 E HA 0.526 4.873 4.350 -0.004 0.000 0.205 507 E C 0.052 176.887 176.600 0.392 0.000 1.006 507 E CA 0.235 56.838 56.400 0.338 0.000 0.985 507 E CB 0.359 30.293 29.700 0.391 0.000 1.060 507 E HN 0.467 nan 8.360 nan 0.000 0.460 508 A N 1.562 124.519 122.820 0.228 0.000 2.520 508 A HA 0.266 4.584 4.320 -0.004 0.000 0.235 508 A C 0.238 177.922 177.584 0.167 0.000 1.065 508 A CA 0.484 52.635 52.037 0.191 0.000 0.764 508 A CB 0.366 19.418 19.000 0.086 0.000 1.002 508 A HN 0.192 nan 8.150 nan 0.000 0.502 509 R N -0.000 120.575 120.500 0.125 0.000 2.774 509 R HA 0.471 4.809 4.340 -0.004 0.000 0.272 509 R C -0.157 176.102 176.300 -0.069 0.000 1.000 509 R CA -0.240 55.827 56.100 -0.056 0.000 0.906 509 R CB 2.050 32.157 30.300 -0.321 0.000 1.227 509 R HN 0.948 nan 8.270 nan 0.000 0.468 510 S N 0.012 115.659 115.700 -0.088 0.000 2.579 510 S HA 0.024 4.492 4.470 -0.004 0.000 0.275 510 S C 0.462 175.057 174.600 -0.008 0.000 1.345 510 S CA -0.433 57.730 58.200 -0.061 0.000 1.031 510 S CB 0.797 63.945 63.200 -0.086 0.000 0.892 510 S HN 0.557 nan 8.310 nan 0.000 0.529 511 D N 0.682 121.130 120.400 0.080 0.000 2.117 511 D HA -0.159 4.478 4.640 -0.004 0.000 0.197 511 D C 1.484 177.882 176.300 0.164 0.000 0.987 511 D CA 1.669 55.730 54.000 0.101 0.000 0.829 511 D CB -0.334 40.655 40.800 0.316 0.000 0.961 511 D HN 0.794 nan 8.370 nan 0.000 0.460 512 Y N 2.389 122.838 120.300 0.248 0.000 2.069 512 Y HA -0.273 4.275 4.550 -0.004 0.000 0.278 512 Y C 1.906 177.915 175.900 0.181 0.000 1.175 512 Y CA 1.917 60.216 58.100 0.333 0.000 1.134 512 Y CB -0.193 38.471 38.460 0.340 0.000 0.965 512 Y HN -0.137 nan 8.280 nan 0.000 0.498 513 D N -0.010 120.569 120.400 0.299 0.000 2.117 513 D HA -0.182 4.455 4.640 -0.004 0.000 0.197 513 D C 2.297 178.495 176.300 -0.169 0.000 0.987 513 D CA 1.879 55.924 54.000 0.075 0.000 0.829 513 D CB -0.376 40.414 40.800 -0.017 0.000 0.961 513 D HN 0.469 nan 8.370 nan 0.000 0.460 514 I N 0.021 120.423 120.570 -0.281 0.000 2.252 514 I HA -0.248 3.920 4.170 -0.004 0.000 0.245 514 I C 1.966 177.866 176.117 -0.362 0.000 1.102 514 I CA 0.769 61.833 61.300 -0.393 0.000 1.385 514 I CB -0.170 37.528 38.000 -0.503 0.000 1.064 514 I HN -0.112 nan 8.210 nan 0.000 0.414 515 F N 0.802 120.620 119.950 -0.220 0.000 2.259 515 F HA -0.074 4.451 4.527 -0.004 0.000 0.298 515 F C 2.531 177.745 175.800 -0.976 0.000 1.088 515 F CA 0.869 58.557 58.000 -0.519 0.000 1.358 515 F CB -1.112 37.588 39.000 -0.500 0.000 1.040 515 F HN -0.016 nan 8.300 nan 0.000 0.505 516 A N 0.251 122.654 122.820 -0.695 0.000 1.877 516 A HA -0.083 4.235 4.320 -0.004 0.000 0.216 516 A C 2.488 179.898 177.584 -0.289 0.000 1.186 516 A CA 1.897 53.605 52.037 -0.548 0.000 0.620 516 A CB -1.318 17.585 19.000 -0.161 0.000 0.822 516 A HN 0.283 nan 8.150 nan 0.000 0.443 517 A N -0.687 122.010 122.820 -0.206 0.000 1.908 517 A HA -0.021 4.297 4.320 -0.004 0.000 0.218 517 A C 2.223 179.754 177.584 -0.089 0.000 1.181 517 A CA 1.949 53.910 52.037 -0.127 0.000 0.627 517 A CB -0.853 18.062 19.000 -0.141 0.000 0.818 517 A HN 0.425 nan 8.150 nan 0.000 0.445 518 V N -0.423 119.431 119.914 -0.099 0.000 2.488 518 V HA -0.141 3.977 4.120 -0.004 0.000 0.246 518 V C 3.013 179.073 176.094 -0.057 0.000 1.046 518 V CA 1.576 63.861 62.300 -0.024 0.000 1.053 518 V CB -1.163 30.697 31.823 0.061 0.000 0.679 518 V HN 0.600 nan 8.190 nan 0.000 0.458 519 A N 0.052 122.771 122.820 -0.168 0.000 1.940 519 A HA -0.289 4.029 4.320 -0.004 0.000 0.219 519 A C 2.164 179.725 177.584 -0.038 0.000 1.176 519 A CA 2.197 54.163 52.037 -0.118 0.000 0.631 519 A CB -0.517 18.368 19.000 -0.191 0.000 0.814 519 A HN 0.545 nan 8.150 nan 0.000 0.446 520 E N -0.043 120.131 120.200 -0.044 0.000 2.085 520 E HA -0.179 4.169 4.350 -0.004 0.000 0.194 520 E C 2.110 178.715 176.600 0.008 0.000 0.994 520 E CA 1.566 57.962 56.400 -0.007 0.000 0.801 520 E CB -0.172 29.520 29.700 -0.012 0.000 0.743 520 E HN 0.609 nan 8.360 nan 0.000 0.453 521 R N -0.542 119.964 120.500 0.009 0.000 2.235 521 R HA 0.076 4.414 4.340 -0.004 0.000 0.213 521 R C 1.634 177.954 176.300 0.032 0.000 1.059 521 R CA 0.549 56.664 56.100 0.026 0.000 0.997 521 R CB -0.025 30.297 30.300 0.037 0.000 0.884 521 R HN 0.218 nan 8.270 nan 0.000 0.462 522 L N -0.065 121.175 121.223 0.029 0.000 2.612 522 L HA 0.190 4.527 4.340 -0.004 0.000 0.230 522 L C 0.737 177.627 176.870 0.033 0.000 1.140 522 L CA 0.146 55.008 54.840 0.036 0.000 0.896 522 L CB 0.086 42.167 42.059 0.037 0.000 1.065 522 L HN 0.418 nan 8.230 nan 0.000 0.447 523 G N 0.933 109.751 108.800 0.030 0.000 2.221 523 G HA2 -0.274 3.683 3.960 -0.004 0.000 0.265 523 G HA3 -0.274 3.683 3.960 -0.004 0.000 0.265 523 G C 0.518 175.439 174.900 0.036 0.000 1.041 523 G CA 0.114 45.232 45.100 0.030 0.000 0.807 523 G HN 0.396 nan 8.290 nan 0.000 0.502 524 K N -0.510 119.914 120.400 0.041 0.000 2.860 524 K HA 0.283 4.601 4.320 -0.004 0.000 0.204 524 K C 1.910 178.560 176.600 0.084 0.000 1.127 524 K CA 0.204 56.527 56.287 0.059 0.000 1.050 524 K CB 0.670 33.208 32.500 0.064 0.000 0.745 524 K HN 0.294 nan 8.250 nan 0.000 0.459 525 G N 1.446 110.288 108.800 0.071 0.000 2.433 525 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.216 525 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.216 525 G C 1.479 176.466 174.900 0.145 0.000 1.186 525 G CA 1.152 46.309 45.100 0.095 0.000 0.779 525 G HN 0.334 nan 8.290 nan 0.000 0.543 526 A N 0.612 123.494 122.820 0.105 0.000 1.972 526 A HA 0.014 4.332 4.320 -0.004 0.000 0.219 526 A C 2.180 179.832 177.584 0.113 0.000 1.169 526 A CA 2.103 54.199 52.037 0.099 0.000 0.635 526 A CB -0.302 18.733 19.000 0.058 0.000 0.810 526 A HN 0.380 nan 8.150 nan 0.000 0.446 527 E N -1.379 118.890 120.200 0.116 0.000 2.150 527 E HA -0.060 4.288 4.350 -0.004 0.000 0.193 527 E C 1.535 178.223 176.600 0.147 0.000 0.985 527 E CA 1.044 57.509 56.400 0.109 0.000 0.814 527 E CB -0.286 29.469 29.700 0.092 0.000 0.752 527 E HN 0.720 nan 8.360 nan 0.000 0.466 528 F N 0.643 120.620 119.950 0.044 0.000 2.118 528 F HA -0.148 4.376 4.527 -0.004 0.000 0.293 528 F C 2.399 178.272 175.800 0.122 0.000 1.102 528 F CA 1.811 59.827 58.000 0.026 0.000 1.247 528 F CB -0.485 38.491 39.000 -0.039 0.000 1.017 528 F HN 0.058 nan 8.300 nan 0.000 0.475 529 T N -2.907 111.858 114.554 0.351 0.000 2.942 529 T HA -0.017 4.331 4.350 -0.004 0.000 0.265 529 T C 1.094 176.015 174.700 0.367 0.000 1.062 529 T CA 0.970 63.334 62.100 0.440 0.000 1.139 529 T CB -0.156 68.960 68.868 0.414 0.000 0.883 529 T HN 0.275 nan 8.240 nan 0.000 0.468 530 E N 0.514 120.825 120.200 0.184 0.000 2.868 530 E HA -0.137 4.211 4.350 -0.004 0.000 0.278 530 E C 1.008 177.546 176.600 -0.104 0.000 1.009 530 E CA 1.158 57.579 56.400 0.034 0.000 0.856 530 E CB -1.916 27.797 29.700 0.022 0.000 1.428 530 E HN 1.109 nan 8.360 nan 0.000 0.423 531 G N -0.634 108.143 108.800 -0.039 0.000 2.166 531 G HA2 -0.393 3.565 3.960 -0.004 0.000 0.260 531 G HA3 -0.393 3.565 3.960 -0.004 0.000 0.260 531 G C 0.180 174.981 174.900 -0.165 0.000 0.986 531 G CA 0.986 46.039 45.100 -0.079 0.000 0.683 531 G HN 0.424 nan 8.290 nan 0.000 0.527 532 K N 0.509 120.755 120.400 -0.256 0.000 2.208 532 K HA 0.586 4.904 4.320 -0.004 0.000 0.247 532 K C -0.342 176.153 176.600 -0.174 0.000 0.953 532 K CA -0.584 55.452 56.287 -0.418 0.000 0.837 532 K CB 1.706 33.557 32.500 -1.081 0.000 1.131 532 K HN 0.258 nan 8.250 nan 0.000 0.431 533 D N -0.211 120.088 120.400 -0.168 0.000 2.569 533 D HA 0.006 4.644 4.640 -0.004 0.000 0.266 533 D C 0.863 177.134 176.300 -0.049 0.000 1.164 533 D CA -0.617 53.359 54.000 -0.039 0.000 1.071 533 D CB 0.529 41.304 40.800 -0.041 0.000 1.183 533 D HN 0.699 nan 8.370 nan 0.000 0.613 534 E N -0.751 119.412 120.200 -0.062 0.000 2.048 534 E HA -0.266 4.082 4.350 -0.004 0.000 0.202 534 E C 1.858 178.395 176.600 -0.106 0.000 1.021 534 E CA 1.819 58.166 56.400 -0.088 0.000 0.825 534 E CB -0.078 29.597 29.700 -0.041 0.000 0.756 534 E HN 0.347 nan 8.360 nan 0.000 0.454 535 M N 0.103 119.617 119.600 -0.143 0.000 2.319 535 M HA 0.002 4.479 4.480 -0.004 0.000 0.265 535 M C 2.354 178.473 176.300 -0.302 0.000 1.068 535 M CA 1.285 56.453 55.300 -0.221 0.000 1.118 535 M CB -1.024 31.447 32.600 -0.215 0.000 1.395 535 M HN 0.344 nan 8.290 nan 0.000 0.435 536 G N -0.700 107.929 108.800 -0.284 0.000 2.421 536 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.216 536 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.216 536 G C 1.370 175.984 174.900 -0.476 0.000 1.171 536 G CA 0.419 45.289 45.100 -0.383 0.000 0.775 536 G HN 0.467 nan 8.290 nan 0.000 0.543 537 W N 0.638 121.655 121.300 -0.473 0.000 2.381 537 W HA 0.089 4.747 4.660 -0.003 0.000 0.301 537 W C 2.608 178.442 176.519 -1.141 0.000 1.205 537 W CA 0.150 57.049 57.345 -0.743 0.000 1.285 537 W CB -0.148 28.982 29.460 -0.551 0.000 1.133 537 W HN 0.110 nan 8.180 nan 0.000 0.521 538 I N 0.466 120.762 120.570 -0.457 0.000 2.226 538 I HA -0.322 3.846 4.170 -0.004 0.000 0.245 538 I C 2.435 178.264 176.117 -0.480 0.000 1.100 538 I CA 1.546 62.657 61.300 -0.316 0.000 1.374 538 I CB -0.614 37.361 38.000 -0.043 0.000 1.057 538 I HN -0.034 nan 8.210 nan 0.000 0.413 539 K N 0.986 120.896 120.400 -0.817 0.000 2.148 539 K HA -0.181 4.136 4.320 -0.004 0.000 0.204 539 K C 2.300 178.574 176.600 -0.543 0.000 1.050 539 K CA 1.697 57.285 56.287 -1.164 0.000 0.942 539 K CB -0.083 31.707 32.500 -1.183 0.000 0.724 539 K HN 0.296 nan 8.250 nan 0.000 0.446 540 S N -0.249 115.167 115.700 -0.474 0.000 2.406 540 S HA -0.096 4.371 4.470 -0.004 0.000 0.228 540 S C 1.694 176.237 174.600 -0.095 0.000 1.020 540 S CA 0.519 58.548 58.200 -0.284 0.000 0.965 540 S CB -0.453 62.559 63.200 -0.313 0.000 0.798 540 S HN 0.301 nan 8.310 nan 0.000 0.488 541 F N 0.840 120.787 119.950 -0.005 0.000 2.128 541 F HA 0.140 4.664 4.527 -0.004 0.000 0.295 541 F C 2.378 178.183 175.800 0.008 0.000 1.100 541 F CA 0.191 58.202 58.000 0.018 0.000 1.260 541 F CB -1.701 37.326 39.000 0.045 0.000 1.009 541 F HN 0.270 nan 8.300 nan 0.000 0.476 542 Y N 1.437 121.788 120.300 0.084 0.000 2.128 542 Y HA -0.258 4.289 4.550 -0.004 0.000 0.284 542 Y C 2.156 178.055 175.900 -0.002 0.000 1.154 542 Y CA 1.929 60.044 58.100 0.025 0.000 1.149 542 Y CB -0.568 37.950 38.460 0.095 0.000 0.976 542 Y HN -0.037 nan 8.280 nan 0.000 0.505 543 D N 0.080 120.534 120.400 0.089 0.000 2.123 543 D HA -0.182 4.456 4.640 -0.004 0.000 0.196 543 D C 1.727 177.986 176.300 -0.069 0.000 0.992 543 D CA 1.758 55.768 54.000 0.017 0.000 0.833 543 D CB -0.495 40.316 40.800 0.018 0.000 0.954 543 D HN 0.474 nan 8.370 nan 0.000 0.455 544 D N -0.243 120.133 120.400 -0.040 0.000 2.123 544 D HA -0.090 4.548 4.640 -0.004 0.000 0.196 544 D C 1.941 178.186 176.300 -0.092 0.000 0.992 544 D CA 1.584 55.560 54.000 -0.039 0.000 0.833 544 D CB -0.015 40.799 40.800 0.023 0.000 0.954 544 D HN 0.143 nan 8.370 nan 0.000 0.455 545 A N 0.235 122.969 122.820 -0.144 0.000 1.930 545 A HA 0.057 4.375 4.320 -0.004 0.000 0.217 545 A C 2.220 179.655 177.584 -0.248 0.000 1.175 545 A CA 1.785 53.706 52.037 -0.195 0.000 0.627 545 A CB -0.732 18.138 19.000 -0.216 0.000 0.815 545 A HN 0.260 nan 8.150 nan 0.000 0.443 546 A N 0.653 123.270 122.820 -0.338 0.000 1.930 546 A HA -0.145 4.172 4.320 -0.004 0.000 0.217 546 A C 2.120 179.626 177.584 -0.131 0.000 1.175 546 A CA 1.935 53.807 52.037 -0.274 0.000 0.627 546 A CB -0.444 18.363 19.000 -0.322 0.000 0.815 546 A HN 0.670 nan 8.150 nan 0.000 0.443 547 K N -0.290 120.048 120.400 -0.103 0.000 2.057 547 K HA -0.204 4.113 4.320 -0.004 0.000 0.206 547 K C 2.160 178.716 176.600 -0.074 0.000 1.050 547 K CA 1.596 57.844 56.287 -0.064 0.000 0.935 547 K CB -0.375 32.097 32.500 -0.046 0.000 0.715 547 K HN 0.539 nan 8.250 nan 0.000 0.439 548 Q N 0.412 120.155 119.800 -0.094 0.000 2.014 548 Q HA -0.164 4.173 4.340 -0.004 0.000 0.207 548 Q C 2.150 178.079 176.000 -0.117 0.000 0.993 548 Q CA 2.234 57.975 55.803 -0.102 0.000 0.850 548 Q CB -0.578 28.090 28.738 -0.117 0.000 0.916 548 Q HN 0.554 nan 8.270 nan 0.000 0.417 549 G N 1.281 109.992 108.800 -0.148 0.000 2.476 549 G HA2 -0.323 3.635 3.960 -0.004 0.000 0.218 549 G HA3 -0.323 3.635 3.960 -0.004 0.000 0.218 549 G C 1.439 176.288 174.900 -0.085 0.000 1.164 549 G CA 1.019 46.029 45.100 -0.150 0.000 0.768 549 G HN 0.298 nan 8.290 nan 0.000 0.560 550 K N 0.574 120.938 120.400 -0.060 0.000 2.034 550 K HA -0.144 4.174 4.320 -0.004 0.000 0.214 550 K C 2.866 179.446 176.600 -0.032 0.000 1.051 550 K CA 1.513 57.782 56.287 -0.031 0.000 0.931 550 K CB -0.457 32.030 32.500 -0.022 0.000 0.715 550 K HN 0.234 nan 8.250 nan 0.000 0.446 551 A N 0.496 123.291 122.820 -0.041 0.000 2.024 551 A HA -0.101 4.217 4.320 -0.004 0.000 0.220 551 A C 1.892 179.453 177.584 -0.039 0.000 1.164 551 A CA 1.913 53.928 52.037 -0.036 0.000 0.643 551 A CB -0.357 18.619 19.000 -0.040 0.000 0.806 551 A HN 0.441 nan 8.150 nan 0.000 0.451 552 A N -1.670 121.119 122.820 -0.052 0.000 2.460 552 A HA 0.465 4.783 4.320 -0.004 0.000 0.258 552 A C 1.484 179.045 177.584 -0.039 0.000 1.300 552 A CA 0.853 52.859 52.037 -0.052 0.000 0.913 552 A CB -1.004 17.949 19.000 -0.079 0.000 1.031 552 A HN 1.841 nan 8.150 nan 0.000 0.512 553 G N -0.974 107.810 108.800 -0.026 0.000 2.221 553 G HA2 -0.165 3.793 3.960 -0.004 0.000 0.265 553 G HA3 -0.165 3.793 3.960 -0.004 0.000 0.265 553 G C -0.045 174.853 174.900 -0.003 0.000 1.041 553 G CA 0.364 45.458 45.100 -0.009 0.000 0.807 553 G HN 0.866 nan 8.290 nan 0.000 0.502 554 V N 0.624 120.529 119.914 -0.015 0.000 2.378 554 V HA 0.417 4.534 4.120 -0.004 0.000 0.288 554 V C 0.422 176.539 176.094 0.039 0.000 1.016 554 V CA -0.614 61.692 62.300 0.010 0.000 0.840 554 V CB 1.587 33.382 31.823 -0.046 0.000 0.994 554 V HN 0.488 nan 8.190 nan 0.000 0.431 555 Q N 4.721 124.565 119.800 0.074 0.000 2.259 555 Q HA 0.722 5.059 4.340 -0.004 0.000 0.249 555 Q C -0.692 175.382 176.000 0.123 0.000 0.914 555 Q CA 0.096 55.946 55.803 0.080 0.000 0.904 555 Q CB 1.746 30.528 28.738 0.073 0.000 1.213 555 Q HN 0.645 nan 8.270 nan 0.000 0.428 556 M N 2.101 121.774 119.600 0.122 0.000 2.433 556 M HA 0.428 4.906 4.480 -0.004 0.000 0.290 556 M C -2.290 174.142 176.300 0.219 0.000 1.173 556 M CA -2.039 53.370 55.300 0.181 0.000 0.905 556 M CB 1.995 34.680 32.600 0.141 0.000 1.692 556 M HN 0.494 nan 8.290 nan 0.000 0.462 557 P HA 0.226 nan 4.420 nan 0.000 0.273 557 P C -0.977 176.511 177.300 0.313 0.000 1.252 557 P CA -0.400 62.850 63.100 0.250 0.000 0.809 557 P CB 0.236 32.079 31.700 0.238 0.000 1.017 558 A N -0.572 122.380 122.820 0.221 0.000 2.286 558 A HA 0.267 4.585 4.320 -0.004 0.000 0.286 558 A C 1.005 178.711 177.584 0.203 0.000 1.097 558 A CA -0.466 51.714 52.037 0.240 0.000 0.821 558 A CB -0.441 18.653 19.000 0.156 0.000 1.076 558 A HN 0.547 nan 8.150 nan 0.000 0.490 559 F N 0.769 120.747 119.950 0.046 0.000 2.045 559 F HA -0.290 4.235 4.527 -0.003 0.000 0.297 559 F C 1.789 177.588 175.800 -0.002 0.000 1.114 559 F CA 2.865 60.787 58.000 -0.129 0.000 1.207 559 F CB -0.151 38.814 39.000 -0.058 0.000 0.964 559 F HN 0.692 nan 8.300 nan 0.000 0.486 560 D N 0.106 120.419 120.400 -0.145 0.000 2.178 560 D HA -0.152 4.486 4.640 -0.004 0.000 0.201 560 D C 2.342 178.561 176.300 -0.135 0.000 0.980 560 D CA 1.374 55.250 54.000 -0.206 0.000 0.842 560 D CB -0.603 40.154 40.800 -0.072 0.000 0.948 560 D HN 0.417 nan 8.370 nan 0.000 0.472 561 A N 0.955 123.743 122.820 -0.053 0.000 1.858 561 A HA -0.193 4.125 4.320 -0.004 0.000 0.216 561 A C 2.098 179.655 177.584 -0.044 0.000 1.190 561 A CA 1.180 53.206 52.037 -0.019 0.000 0.617 561 A CB -1.082 17.945 19.000 0.045 0.000 0.827 561 A HN 0.266 nan 8.150 nan 0.000 0.443 562 F N -0.707 119.133 119.950 -0.184 0.000 2.126 562 F HA -0.222 4.302 4.527 -0.004 0.000 0.299 562 F C 2.185 177.824 175.800 -0.269 0.000 1.096 562 F CA 1.783 59.645 58.000 -0.231 0.000 1.255 562 F CB -0.479 38.240 39.000 -0.468 0.000 0.997 562 F HN 0.511 nan 8.300 nan 0.000 0.479 563 W N 0.989 121.756 121.300 -0.887 0.000 2.388 563 W HA -0.124 4.534 4.660 -0.003 0.000 0.294 563 W C 2.353 178.522 176.519 -0.584 0.000 1.212 563 W CA 1.820 58.615 57.345 -0.916 0.000 1.271 563 W CB -0.505 28.445 29.460 -0.850 0.000 1.126 563 W HN 0.209 nan 8.180 nan 0.000 0.535 564 A N 0.640 123.305 122.820 -0.257 0.000 1.930 564 A HA -0.223 4.095 4.320 -0.004 0.000 0.217 564 A C 1.780 179.205 177.584 -0.265 0.000 1.175 564 A CA 1.840 53.756 52.037 -0.201 0.000 0.627 564 A CB -0.721 18.211 19.000 -0.113 0.000 0.815 564 A HN 0.442 nan 8.150 nan 0.000 0.443 565 E N -1.981 118.043 120.200 -0.294 0.000 2.122 565 E HA 0.199 4.547 4.350 -0.004 0.000 0.190 565 E C 1.512 177.877 176.600 -0.391 0.000 0.977 565 E CA 0.468 56.713 56.400 -0.258 0.000 0.820 565 E CB -0.173 29.437 29.700 -0.150 0.000 0.770 565 E HN 0.730 nan 8.360 nan 0.000 0.462 566 G N 1.643 110.039 108.800 -0.672 0.000 2.225 566 G HA2 -0.307 3.651 3.960 -0.004 0.000 0.254 566 G HA3 -0.307 3.651 3.960 -0.004 0.000 0.254 566 G C 0.205 174.721 174.900 -0.639 0.000 0.988 566 G CA 0.512 45.116 45.100 -0.827 0.000 0.625 566 G HN 0.353 nan 8.290 nan 0.000 0.527 567 I N 0.065 120.423 120.570 -0.353 0.000 2.841 567 I HA 0.593 4.761 4.170 -0.004 0.000 0.298 567 I C -1.163 175.007 176.117 0.087 0.000 1.304 567 I CA -1.222 60.026 61.300 -0.088 0.000 1.019 567 I CB 2.232 40.135 38.000 -0.161 0.000 1.282 567 I HN 0.078 nan 8.210 nan 0.000 0.432 568 V N 5.040 125.027 119.914 0.121 0.000 2.531 568 V HA 0.542 4.660 4.120 -0.004 0.000 0.301 568 V C -0.538 175.358 176.094 -0.330 0.000 1.034 568 V CA -0.638 61.651 62.300 -0.019 0.000 0.865 568 V CB 1.504 33.297 31.823 -0.049 0.000 0.995 568 V HN 0.685 nan 8.190 nan 0.000 0.424 569 E N 3.025 123.067 120.200 -0.263 0.000 2.195 569 E HA 0.667 5.015 4.350 -0.004 0.000 0.271 569 E C -1.503 174.906 176.600 -0.319 0.000 0.923 569 E CA -0.549 55.669 56.400 -0.303 0.000 0.790 569 E CB 2.140 31.818 29.700 -0.038 0.000 1.155 569 E HN 0.554 nan 8.360 nan 0.000 0.402 570 F N 2.227 122.225 119.950 0.080 0.000 2.440 570 F HA 0.428 4.953 4.527 -0.004 0.000 0.328 570 F C -1.759 174.077 175.800 0.059 0.000 1.070 570 F CA -2.495 55.539 58.000 0.057 0.000 1.011 570 F CB 0.200 39.223 39.000 0.038 0.000 1.226 570 F HN 0.266 nan 8.300 nan 0.000 0.491 571 P HA 0.336 nan 4.420 nan 0.000 0.279 571 P C -1.203 176.176 177.300 0.132 0.000 1.252 571 P CA -0.337 62.854 63.100 0.152 0.000 0.811 571 P CB 1.974 33.747 31.700 0.120 0.000 1.035 572 V N 1.933 121.910 119.914 0.105 0.000 2.347 572 V HA 0.201 4.319 4.120 -0.004 0.000 0.280 572 V C 1.559 177.698 176.094 0.075 0.000 1.021 572 V CA 0.152 62.508 62.300 0.092 0.000 0.847 572 V CB 0.766 32.648 31.823 0.098 0.000 0.990 572 V HN 0.887 nan 8.190 nan 0.000 0.444 573 T N 0.844 115.436 114.554 0.063 0.000 3.401 573 T HA 0.025 4.373 4.350 -0.004 0.000 0.225 573 T C 1.021 175.755 174.700 0.058 0.000 0.961 573 T CA 0.927 63.060 62.100 0.054 0.000 1.429 573 T CB -0.059 68.834 68.868 0.041 0.000 1.213 573 T HN 0.596 nan 8.240 nan 0.000 0.440 574 D N 0.705 121.139 120.400 0.056 0.000 2.395 574 D HA 0.255 4.892 4.640 -0.004 0.000 0.213 574 D C 1.854 178.206 176.300 0.088 0.000 1.110 574 D CA 0.187 54.228 54.000 0.069 0.000 0.835 574 D CB -0.596 40.242 40.800 0.064 0.000 0.965 574 D HN 0.599 nan 8.370 nan 0.000 0.505 575 G N 0.324 109.170 108.800 0.078 0.000 2.625 575 G HA2 0.039 3.997 3.960 -0.004 0.000 0.214 575 G HA3 0.039 3.997 3.960 -0.004 0.000 0.214 575 G C 1.296 176.273 174.900 0.128 0.000 1.132 575 G CA 0.534 45.683 45.100 0.083 0.000 0.782 575 G HN 0.434 nan 8.290 nan 0.000 0.538 576 A N -0.203 122.694 122.820 0.129 0.000 2.308 576 A HA 0.290 4.608 4.320 -0.004 0.000 0.217 576 A C 1.385 179.052 177.584 0.139 0.000 1.216 576 A CA 0.507 52.629 52.037 0.141 0.000 0.864 576 A CB 0.295 19.369 19.000 0.124 0.000 0.902 576 A HN 0.147 nan 8.150 nan 0.000 0.499 577 D N -1.516 118.969 120.400 0.142 0.000 2.433 577 D HA 0.153 4.791 4.640 -0.004 0.000 0.211 577 D C -0.181 176.196 176.300 0.128 0.000 1.114 577 D CA -0.214 53.855 54.000 0.115 0.000 0.837 577 D CB 0.077 40.932 40.800 0.092 0.000 0.984 577 D HN 0.396 nan 8.370 nan 0.000 0.505 578 F N 2.086 122.049 119.950 0.021 0.000 2.543 578 F HA 0.196 4.721 4.527 -0.004 0.000 0.375 578 F C -0.267 175.528 175.800 -0.010 0.000 1.075 578 F CA -0.136 57.865 58.000 0.002 0.000 1.225 578 F CB 0.633 39.629 39.000 -0.007 0.000 1.099 578 F HN -0.370 nan 8.300 nan 0.000 0.561 579 V N 7.795 127.212 119.914 -0.829 0.000 2.407 579 V HA 0.335 4.453 4.120 -0.004 0.000 0.291 579 V C 0.137 175.647 176.094 -0.974 0.000 1.018 579 V CA -1.006 60.892 62.300 -0.670 0.000 0.842 579 V CB 1.313 32.955 31.823 -0.301 0.000 0.996 579 V HN 0.735 nan 8.190 nan 0.000 0.426 580 R N 3.109 123.122 120.500 -0.812 0.000 2.585 580 R HA 0.119 4.457 4.340 -0.004 0.000 0.275 580 R C 0.046 176.229 176.300 -0.195 0.000 1.018 580 R CA 0.530 56.310 56.100 -0.534 0.000 1.072 580 R CB 0.008 30.155 30.300 -0.254 0.000 0.953 580 R HN 0.734 nan 8.270 nan 0.000 0.419 581 Y N 0.020 120.227 120.300 -0.156 0.000 4.907 581 Y HA -0.350 4.198 4.550 -0.004 0.000 0.246 581 Y C 1.258 177.180 175.900 0.036 0.000 0.968 581 Y CA 0.852 58.961 58.100 0.014 0.000 1.961 581 Y CB -1.978 36.522 38.460 0.067 0.000 1.487 581 Y HN 0.791 nan 8.280 nan 0.000 0.575 582 A N -0.133 122.696 122.820 0.014 0.000 1.969 582 A HA -0.137 4.180 4.320 -0.004 0.000 0.218 582 A C 2.175 179.795 177.584 0.060 0.000 1.169 582 A CA 1.936 53.978 52.037 0.009 0.000 0.635 582 A CB -0.672 18.282 19.000 -0.075 0.000 0.810 582 A HN 0.676 nan 8.150 nan 0.000 0.445 583 S N -1.082 114.670 115.700 0.087 0.000 2.414 583 S HA -0.086 4.382 4.470 -0.004 0.000 0.227 583 S C 1.764 176.478 174.600 0.190 0.000 1.022 583 S CA 1.008 59.275 58.200 0.111 0.000 0.958 583 S CB -0.687 62.572 63.200 0.098 0.000 0.797 583 S HN 0.524 nan 8.310 nan 0.000 0.493 584 F N 3.227 123.244 119.950 0.112 0.000 2.095 584 F HA 0.030 4.555 4.527 -0.004 0.000 0.298 584 F C 2.585 178.520 175.800 0.225 0.000 1.104 584 F CA 1.499 59.608 58.000 0.181 0.000 1.232 584 F CB -0.495 38.671 39.000 0.276 0.000 0.987 584 F HN 0.093 nan 8.300 nan 0.000 0.475 585 R N 0.491 120.952 120.500 -0.065 0.000 2.075 585 R HA -0.187 4.151 4.340 -0.004 0.000 0.232 585 R C 2.394 178.698 176.300 0.008 0.000 1.126 585 R CA 1.645 57.623 56.100 -0.203 0.000 0.963 585 R CB -0.551 29.648 30.300 -0.169 0.000 0.858 585 R HN 0.566 nan 8.270 nan 0.000 0.435 586 E N -0.078 120.139 120.200 0.028 0.000 2.058 586 E HA -0.203 4.145 4.350 -0.004 0.000 0.194 586 E C -0.268 176.356 176.600 0.040 0.000 0.997 586 E CA 1.440 57.864 56.400 0.040 0.000 0.801 586 E CB 0.129 29.852 29.700 0.038 0.000 0.746 586 E HN 0.089 nan 8.360 nan 0.000 0.450 587 D N -1.267 119.159 120.400 0.042 0.000 2.337 587 D HA 0.119 4.757 4.640 -0.004 0.000 0.238 587 D C -2.204 174.120 176.300 0.040 0.000 1.331 587 D CA -1.756 52.259 54.000 0.025 0.000 0.967 587 D CB 1.573 42.392 40.800 0.032 0.000 1.382 587 D HN -0.069 nan 8.370 nan 0.000 0.549 588 P HA -0.048 nan 4.420 nan 0.000 0.221 588 P C 1.755 179.105 177.300 0.083 0.000 1.150 588 P CA 0.377 63.494 63.100 0.029 0.000 0.800 588 P CB 0.753 32.339 31.700 -0.191 0.000 0.787 589 L N -1.328 119.908 121.223 0.021 0.000 2.095 589 L HA -0.076 4.262 4.340 -0.004 0.000 0.204 589 L C 2.532 179.431 176.870 0.048 0.000 1.080 589 L CA 0.995 55.851 54.840 0.027 0.000 0.759 589 L CB -0.980 41.077 42.059 -0.002 0.000 0.914 589 L HN 0.004 nan 8.230 nan 0.000 0.439 590 L N -0.296 120.956 121.223 0.049 0.000 2.109 590 L HA 0.002 4.339 4.340 -0.004 0.000 0.207 590 L C 0.877 177.794 176.870 0.077 0.000 1.086 590 L CA 1.614 56.486 54.840 0.052 0.000 0.760 590 L CB -0.108 41.977 42.059 0.044 0.000 0.910 590 L HN 0.220 nan 8.230 nan 0.000 0.437 591 N N 0.696 119.468 118.700 0.119 0.000 2.813 591 N HA 0.310 5.048 4.740 -0.004 0.000 0.282 591 N C -2.616 173.050 175.510 0.260 0.000 1.748 591 N CA -1.056 52.090 53.050 0.161 0.000 0.860 591 N CB 0.845 39.433 38.487 0.168 0.000 1.204 591 N HN 0.230 nan 8.380 nan 0.000 0.490 592 P HA 0.193 nan 4.420 nan 0.000 0.276 592 P C 0.415 177.764 177.300 0.083 0.000 1.252 592 P CA -0.379 62.851 63.100 0.217 0.000 0.802 592 P CB 1.622 33.401 31.700 0.133 0.000 1.035 593 L N 0.054 121.258 121.223 -0.033 0.000 2.475 593 L HA 0.285 4.623 4.340 -0.004 0.000 0.253 593 L C 1.867 178.708 176.870 -0.049 0.000 1.198 593 L CA -0.186 54.570 54.840 -0.139 0.000 0.814 593 L CB 0.012 41.906 42.059 -0.276 0.000 1.134 593 L HN 0.531 nan 8.230 nan 0.000 0.478 594 G N -0.055 108.714 108.800 -0.052 0.000 3.474 594 G HA2 0.154 4.111 3.960 -0.004 0.000 0.269 594 G HA3 0.154 4.111 3.960 -0.004 0.000 0.269 594 G C 0.415 175.289 174.900 -0.043 0.000 1.339 594 G CA -0.142 44.934 45.100 -0.040 0.000 1.258 594 G HN 0.656 nan 8.290 nan 0.000 0.560 595 T N -3.194 111.341 114.554 -0.030 0.000 2.923 595 T HA 0.505 4.853 4.350 -0.004 0.000 0.281 595 T C -1.539 173.162 174.700 0.002 0.000 0.995 595 T CA -1.660 60.429 62.100 -0.019 0.000 0.985 595 T CB 2.179 71.046 68.868 -0.002 0.000 1.114 595 T HN -0.163 nan 8.240 nan 0.000 0.548 596 P HA -0.106 nan 4.420 nan 0.000 0.215 596 P C 1.794 179.111 177.300 0.029 0.000 1.153 596 P CA 1.640 64.752 63.100 0.020 0.000 0.853 596 P CB -0.244 31.472 31.700 0.027 0.000 0.788 597 T N -5.491 109.088 114.554 0.042 0.000 3.043 597 T HA 0.218 4.565 4.350 -0.004 0.000 0.263 597 T C 1.635 176.369 174.700 0.056 0.000 1.094 597 T CA 0.794 62.925 62.100 0.052 0.000 1.127 597 T CB -0.941 67.970 68.868 0.071 0.000 0.905 597 T HN 0.250 nan 8.240 nan 0.000 0.490 598 G N 0.954 109.784 108.800 0.050 0.000 2.159 598 G HA2 -0.177 3.780 3.960 -0.004 0.000 0.256 598 G HA3 -0.177 3.780 3.960 -0.004 0.000 0.256 598 G C -0.137 174.824 174.900 0.100 0.000 0.977 598 G CA 0.444 45.580 45.100 0.061 0.000 0.652 598 G HN 0.672 nan 8.290 nan 0.000 0.531 599 L N -0.839 120.446 121.223 0.103 0.000 2.230 599 L HA 0.671 5.009 4.340 -0.004 0.000 0.255 599 L C 0.828 177.770 176.870 0.120 0.000 1.039 599 L CA -1.662 53.284 54.840 0.176 0.000 0.846 599 L CB 1.243 43.412 42.059 0.183 0.000 1.419 599 L HN -0.035 nan 8.230 nan 0.000 0.435 600 I N 1.223 121.904 120.570 0.184 0.000 2.664 600 I HA -0.026 4.142 4.170 -0.004 0.000 0.284 600 I C 0.136 176.349 176.117 0.160 0.000 1.154 600 I CA 0.540 61.931 61.300 0.151 0.000 1.402 600 I CB 0.016 38.151 38.000 0.224 0.000 1.395 600 I HN 0.463 nan 8.210 nan 0.000 0.545 601 E N 7.036 127.321 120.200 0.141 0.000 2.001 601 E HA 0.196 4.544 4.350 -0.004 0.000 0.279 601 E C 0.688 177.455 176.600 0.279 0.000 1.045 601 E CA -0.171 56.339 56.400 0.184 0.000 0.833 601 E CB 1.096 30.878 29.700 0.137 0.000 1.077 601 E HN 0.618 nan 8.360 nan 0.000 0.397 602 I N 2.352 123.080 120.570 0.264 0.000 2.584 602 I HA -0.104 4.064 4.170 -0.004 0.000 0.255 602 I C 0.494 176.756 176.117 0.242 0.000 1.145 602 I CA 0.613 62.037 61.300 0.207 0.000 1.462 602 I CB 0.239 38.303 38.000 0.106 0.000 1.102 602 I HN 0.437 nan 8.210 nan 0.000 0.433 603 Y N 0.379 120.788 120.300 0.181 0.000 2.393 603 Y HA 0.464 5.011 4.550 -0.004 0.000 0.341 603 Y C -0.115 175.914 175.900 0.215 0.000 0.988 603 Y CA -0.886 57.329 58.100 0.191 0.000 1.078 603 Y CB 1.637 40.173 38.460 0.126 0.000 1.203 603 Y HN -0.258 nan 8.280 nan 0.000 0.453 604 S N 5.728 121.257 115.700 -0.285 0.000 2.498 604 S HA 0.320 4.788 4.470 -0.004 0.000 0.324 604 S C 0.467 174.948 174.600 -0.198 0.000 1.071 604 S CA -0.682 57.448 58.200 -0.115 0.000 1.113 604 S CB 0.703 63.849 63.200 -0.090 0.000 0.976 604 S HN 0.943 nan 8.310 nan 0.000 0.462 605 K N 3.292 123.719 120.400 0.045 0.000 2.103 605 K HA -0.055 4.263 4.320 -0.004 0.000 0.204 605 K C 1.916 178.503 176.600 -0.022 0.000 1.052 605 K CA 0.634 56.976 56.287 0.091 0.000 0.945 605 K CB -0.103 32.478 32.500 0.134 0.000 0.722 605 K HN 0.569 nan 8.250 nan 0.000 0.443 606 N N 1.351 120.022 118.700 -0.049 0.000 2.043 606 N HA -0.149 4.589 4.740 -0.004 0.000 0.193 606 N C 1.793 177.184 175.510 -0.199 0.000 1.037 606 N CA 1.315 54.310 53.050 -0.091 0.000 0.851 606 N CB -0.028 38.436 38.487 -0.039 0.000 1.027 606 N HN 0.128 nan 8.380 nan 0.000 0.422 607 I N 1.062 121.467 120.570 -0.275 0.000 2.394 607 I HA -0.171 3.997 4.170 -0.004 0.000 0.251 607 I C 2.478 178.438 176.117 -0.263 0.000 1.136 607 I CA 0.750 61.850 61.300 -0.333 0.000 1.425 607 I CB -0.298 37.498 38.000 -0.341 0.000 1.079 607 I HN 0.266 nan 8.210 nan 0.000 0.425 608 E N 1.664 121.736 120.200 -0.213 0.000 2.106 608 E HA -0.266 4.082 4.350 -0.004 0.000 0.192 608 E C 2.014 178.535 176.600 -0.132 0.000 0.984 608 E CA 1.284 57.596 56.400 -0.145 0.000 0.806 608 E CB 0.166 29.843 29.700 -0.039 0.000 0.750 608 E HN 0.214 nan 8.360 nan 0.000 0.458 609 K N 0.300 120.622 120.400 -0.130 0.000 2.147 609 K HA -0.076 4.242 4.320 -0.004 0.000 0.205 609 K C 2.066 178.538 176.600 -0.212 0.000 1.049 609 K CA 1.479 57.688 56.287 -0.130 0.000 0.936 609 K CB -0.162 32.276 32.500 -0.104 0.000 0.722 609 K HN 0.240 nan 8.250 nan 0.000 0.446 610 M N -1.478 117.920 119.600 -0.337 0.000 2.213 610 M HA -0.023 4.455 4.480 -0.004 0.000 0.263 610 M C 1.303 177.251 176.300 -0.587 0.000 1.062 610 M CA 1.506 56.457 55.300 -0.582 0.000 1.105 610 M CB -0.274 31.741 32.600 -0.976 0.000 1.385 610 M HN 0.370 nan 8.290 nan 0.000 0.417 611 G N -0.238 108.335 108.800 -0.379 0.000 2.147 611 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.244 611 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.244 611 G C -0.482 174.364 174.900 -0.090 0.000 1.005 611 G CA -0.395 44.586 45.100 -0.198 0.000 0.713 611 G HN 0.385 nan 8.290 nan 0.000 0.515 612 Y N 1.903 122.169 120.300 -0.057 0.000 2.436 612 Y HA 0.252 4.799 4.550 -0.004 0.000 0.336 612 Y C 1.854 177.729 175.900 -0.042 0.000 1.049 612 Y CA -1.150 56.924 58.100 -0.044 0.000 1.294 612 Y CB 0.607 39.038 38.460 -0.050 0.000 1.179 612 Y HN 0.334 nan 8.280 nan 0.000 0.520 613 D N 0.922 121.409 120.400 0.145 0.000 2.104 613 D HA -0.228 4.410 4.640 -0.004 0.000 0.194 613 D C 0.624 176.948 176.300 0.039 0.000 0.994 613 D CA 1.705 55.743 54.000 0.063 0.000 0.830 613 D CB -0.452 40.382 40.800 0.056 0.000 0.959 613 D HN 0.610 nan 8.370 nan 0.000 0.452 614 D N -0.947 119.496 120.400 0.072 0.000 2.352 614 D HA 0.082 4.720 4.640 -0.004 0.000 0.236 614 D C -0.264 176.086 176.300 0.082 0.000 1.148 614 D CA -0.699 53.354 54.000 0.088 0.000 0.844 614 D CB -0.686 40.203 40.800 0.149 0.000 0.933 614 D HN 0.211 nan 8.370 nan 0.000 0.507 615 C N 1.038 120.376 119.300 0.063 0.000 3.280 615 C HA 0.323 4.781 4.460 -0.004 0.000 0.334 615 C C -2.664 172.348 174.990 0.035 0.000 0.977 615 C CA -1.341 57.725 59.018 0.080 0.000 1.264 615 C CB -0.465 27.358 27.740 0.138 0.000 1.688 615 C HN 0.109 nan 8.230 nan 0.000 0.592 616 P HA 0.243 nan 4.420 nan 0.000 0.280 616 P C 0.440 177.629 177.300 -0.184 0.000 1.278 616 P CA 0.180 63.156 63.100 -0.207 0.000 0.787 616 P CB 0.703 32.154 31.700 -0.414 0.000 1.163 617 A N -0.605 122.020 122.820 -0.325 0.000 2.251 617 A HA 0.117 4.435 4.320 -0.004 0.000 0.209 617 A C 0.283 177.594 177.584 -0.456 0.000 1.187 617 A CA 0.862 52.654 52.037 -0.408 0.000 0.823 617 A CB -1.302 17.238 19.000 -0.766 0.000 0.846 617 A HN 0.801 nan 8.150 nan 0.000 0.486 618 H N -4.805 113.950 119.070 -0.526 0.000 3.037 618 H HA 0.599 5.153 4.556 -0.004 0.000 0.355 618 H C -3.617 170.982 175.328 -1.216 0.000 1.263 618 H CA -2.732 52.817 56.048 -0.831 0.000 1.129 618 H CB -0.096 29.503 29.762 -0.273 0.000 1.861 618 H HN -0.182 nan 8.280 nan 0.000 0.546 619 P HA 0.124 nan 4.420 nan 0.000 0.260 619 P C -0.693 176.441 177.300 -0.276 0.000 1.172 619 P CA 0.530 63.123 63.100 -0.845 0.000 0.760 619 P CB 0.421 31.699 31.700 -0.704 0.000 0.773 620 T N 3.322 117.724 114.554 -0.253 0.000 2.933 620 T HA 0.280 4.628 4.350 -0.004 0.000 0.305 620 T C -1.456 173.294 174.700 0.082 0.000 1.092 620 T CA -0.561 61.438 62.100 -0.169 0.000 1.008 620 T CB 1.179 69.773 68.868 -0.456 0.000 1.102 620 T HN 0.399 nan 8.240 nan 0.000 0.469 621 W N 5.483 126.880 121.300 0.161 0.000 2.338 621 W HA 0.651 5.308 4.660 -0.004 0.000 0.307 621 W C -1.610 174.950 176.519 0.069 0.000 1.167 621 W CA -0.697 56.748 57.345 0.167 0.000 1.208 621 W CB 0.454 30.134 29.460 0.367 0.000 1.228 621 W HN 0.597 nan 8.180 nan 0.000 0.499 622 M N 3.992 122.985 119.600 -1.011 0.000 2.658 622 M HA 0.222 4.700 4.480 -0.004 0.000 0.295 622 M C -0.169 175.517 176.300 -1.022 0.000 1.248 622 M CA -0.870 53.904 55.300 -0.876 0.000 0.843 622 M CB 2.399 34.447 32.600 -0.919 0.000 1.749 622 M HN 0.215 nan 8.290 nan 0.000 0.464 623 E N 3.053 122.979 120.200 -0.456 0.000 2.289 623 E HA 0.322 4.670 4.350 -0.004 0.000 0.278 623 E C -2.325 174.247 176.600 -0.047 0.000 1.032 623 E CA -1.384 54.888 56.400 -0.212 0.000 0.854 623 E CB 0.570 30.275 29.700 0.009 0.000 1.046 623 E HN 0.283 nan 8.360 nan 0.000 0.409 624 P HA 0.024 nan 4.420 nan 0.000 0.274 624 P C 0.984 178.473 177.300 0.314 0.000 1.256 624 P CA -0.496 62.751 63.100 0.244 0.000 0.795 624 P CB 0.870 32.680 31.700 0.182 0.000 1.038 625 L N -0.138 121.328 121.223 0.405 0.000 2.013 625 L HA -0.132 4.205 4.340 -0.004 0.000 0.212 625 L C 0.775 177.698 176.870 0.089 0.000 1.073 625 L CA 1.984 56.874 54.840 0.084 0.000 0.753 625 L CB -0.662 41.284 42.059 -0.188 0.000 0.890 625 L HN 0.641 nan 8.230 nan 0.000 0.432 626 E N -0.925 119.340 120.200 0.108 0.000 2.321 626 E HA 0.477 4.825 4.350 -0.004 0.000 0.281 626 E C -1.044 175.651 176.600 0.159 0.000 0.910 626 E CA -0.934 55.538 56.400 0.119 0.000 0.770 626 E CB 1.318 31.078 29.700 0.100 0.000 1.225 626 E HN 0.408 nan 8.360 nan 0.000 0.417 627 R N 1.629 122.228 120.500 0.165 0.000 2.836 627 R HA 0.578 4.915 4.340 -0.004 0.000 0.269 627 R C -1.130 175.268 176.300 0.164 0.000 1.010 627 R CA -1.193 55.022 56.100 0.191 0.000 0.930 627 R CB 1.143 31.559 30.300 0.194 0.000 1.218 627 R HN 0.511 nan 8.270 nan 0.000 0.473 628 L N 2.365 123.683 121.223 0.159 0.000 2.462 628 L HA 0.177 4.515 4.340 -0.004 0.000 0.272 628 L C -0.596 176.318 176.870 0.072 0.000 1.166 628 L CA 0.832 55.742 54.840 0.116 0.000 0.880 628 L CB -0.003 42.117 42.059 0.102 0.000 1.142 628 L HN 0.819 nan 8.230 nan 0.000 0.473 629 D N 2.066 122.502 120.400 0.060 0.000 2.981 629 D HA -0.160 4.478 4.640 -0.004 0.000 0.223 629 D C 0.366 176.694 176.300 0.047 0.000 1.151 629 D CA 1.178 55.199 54.000 0.036 0.000 0.827 629 D CB -1.652 39.152 40.800 0.008 0.000 1.101 629 D HN 0.893 nan 8.370 nan 0.000 0.426 630 G N 0.489 109.333 108.800 0.074 0.000 2.507 630 G HA2 0.503 4.460 3.960 -0.004 0.000 0.271 630 G HA3 0.503 4.460 3.960 -0.004 0.000 0.271 630 G C -2.209 172.733 174.900 0.070 0.000 1.189 630 G CA -1.024 44.131 45.100 0.091 0.000 0.859 630 G HN -0.106 nan 8.290 nan 0.000 0.542 631 P HA 0.079 nan 4.420 nan 0.000 0.255 631 P C 0.928 178.258 177.300 0.050 0.000 1.173 631 P CA 1.354 64.489 63.100 0.059 0.000 0.780 631 P CB 0.356 32.099 31.700 0.071 0.000 0.758 632 G N 2.655 111.474 108.800 0.033 0.000 2.143 632 G HA2 -0.189 3.769 3.960 -0.004 0.000 0.248 632 G HA3 -0.189 3.769 3.960 -0.004 0.000 0.248 632 G C 0.430 175.339 174.900 0.016 0.000 0.991 632 G CA -0.049 45.064 45.100 0.020 0.000 0.689 632 G HN 0.877 nan 8.290 nan 0.000 0.522 633 A N -0.140 122.697 122.820 0.028 0.000 2.546 633 A HA 0.518 4.836 4.320 -0.004 0.000 0.243 633 A C 1.369 178.943 177.584 -0.017 0.000 1.063 633 A CA 1.521 53.579 52.037 0.034 0.000 0.757 633 A CB 0.301 19.338 19.000 0.061 0.000 0.991 633 A HN 0.628 nan 8.150 nan 0.000 0.503 634 K N 1.563 121.929 120.400 -0.058 0.000 2.167 634 K HA -0.010 4.308 4.320 -0.004 0.000 0.203 634 K C -0.622 175.740 176.600 -0.396 0.000 1.052 634 K CA 0.957 57.088 56.287 -0.260 0.000 0.956 634 K CB -0.057 32.205 32.500 -0.397 0.000 0.735 634 K HN 0.739 nan 8.250 nan 0.000 0.451 635 Y N -0.264 120.038 120.300 0.004 0.000 2.487 635 Y HA 0.243 4.791 4.550 -0.004 0.000 0.337 635 Y C -1.686 174.213 175.900 -0.001 0.000 1.076 635 Y CA -2.445 55.647 58.100 -0.014 0.000 1.115 635 Y CB 1.625 40.060 38.460 -0.042 0.000 1.235 635 Y HN -0.033 nan 8.280 nan 0.000 0.468 636 P HA 0.084 nan 4.420 nan 0.000 0.228 636 P C -0.425 176.926 177.300 0.086 0.000 1.166 636 P CA 0.885 64.041 63.100 0.093 0.000 0.812 636 P CB 1.209 32.949 31.700 0.066 0.000 0.857 637 L N -0.165 121.106 121.223 0.081 0.000 2.325 637 L HA 0.443 4.780 4.340 -0.004 0.000 0.278 637 L C 0.225 177.144 176.870 0.082 0.000 1.023 637 L CA -1.123 53.760 54.840 0.071 0.000 0.811 637 L CB 1.377 43.456 42.059 0.034 0.000 1.249 637 L HN -0.078 nan 8.230 nan 0.000 0.431 638 H N 3.021 122.110 119.070 0.032 0.000 2.604 638 H HA 0.442 4.996 4.556 -0.004 0.000 0.306 638 H C -0.607 174.741 175.328 0.033 0.000 1.075 638 H CA -0.301 55.771 56.048 0.040 0.000 1.357 638 H CB 0.759 30.554 29.762 0.055 0.000 1.426 638 H HN 0.412 nan 8.280 nan 0.000 0.470 639 I N 5.037 125.372 120.570 -0.393 0.000 2.291 639 I HA 0.196 4.363 4.170 -0.004 0.000 0.292 639 I C 0.340 176.383 176.117 -0.123 0.000 1.064 639 I CA -0.588 60.602 61.300 -0.184 0.000 1.269 639 I CB 1.058 38.970 38.000 -0.147 0.000 1.418 639 I HN 0.728 nan 8.210 nan 0.000 0.485 640 A N 6.138 129.023 122.820 0.108 0.000 2.899 640 A HA 0.434 4.752 4.320 -0.004 0.000 0.287 640 A C 1.076 178.752 177.584 0.153 0.000 1.715 640 A CA -0.318 51.840 52.037 0.201 0.000 1.393 640 A CB -0.441 18.685 19.000 0.210 0.000 1.070 640 A HN 0.847 nan 8.150 nan 0.000 0.587 641 A N 2.804 125.712 122.820 0.146 0.000 3.029 641 A HA 0.447 4.765 4.320 -0.004 0.000 0.251 641 A C 1.173 178.937 177.584 0.299 0.000 1.749 641 A CA 0.300 52.446 52.037 0.182 0.000 1.386 641 A CB -1.113 17.960 19.000 0.123 0.000 1.043 641 A HN 1.054 nan 8.150 nan 0.000 0.638 642 S N -0.074 115.855 115.700 0.380 0.000 2.652 642 S HA 0.326 4.794 4.470 -0.004 0.000 0.267 642 S C 0.069 175.008 174.600 0.565 0.000 1.201 642 S CA -0.550 57.926 58.200 0.460 0.000 0.996 642 S CB 0.066 63.505 63.200 0.398 0.000 1.054 642 S HN 0.629 nan 8.310 nan 0.000 0.561 643 H N 1.980 121.171 119.070 0.202 0.000 2.683 643 H HA 0.295 4.848 4.556 -0.004 0.000 0.339 643 H C -2.166 172.934 175.328 -0.379 0.000 1.081 643 H CA -1.813 54.240 56.048 0.008 0.000 1.432 643 H CB 0.520 30.294 29.762 0.020 0.000 1.462 643 H HN 0.493 nan 8.280 nan 0.000 0.557 644 P HA -0.075 nan 4.420 nan 0.000 0.275 644 P C 0.169 177.121 177.300 -0.581 0.000 1.227 644 P CA 0.067 62.566 63.100 -1.002 0.000 0.781 644 P CB 0.889 32.315 31.700 -0.455 0.000 0.906 645 F N 2.465 122.021 119.950 -0.658 0.000 2.128 645 F HA -0.039 4.486 4.527 -0.004 0.000 0.295 645 F C 1.663 177.390 175.800 -0.121 0.000 1.100 645 F CA 1.532 59.396 58.000 -0.227 0.000 1.260 645 F CB -0.031 38.930 39.000 -0.065 0.000 1.009 645 F HN 0.261 nan 8.300 nan 0.000 0.476 646 N N 0.688 119.436 118.700 0.080 0.000 2.320 646 N HA 0.149 4.887 4.740 -0.004 0.000 0.237 646 N C -0.435 175.105 175.510 0.050 0.000 1.129 646 N CA 0.209 53.316 53.050 0.095 0.000 0.854 646 N CB 0.386 38.960 38.487 0.145 0.000 1.083 646 N HN 0.255 nan 8.380 nan 0.000 0.504 647 R N 0.024 120.526 120.500 0.002 0.000 2.781 647 R HA 0.394 4.731 4.340 -0.004 0.000 0.269 647 R C -1.404 174.925 176.300 0.048 0.000 1.025 647 R CA -0.852 55.292 56.100 0.074 0.000 0.914 647 R CB 1.679 31.993 30.300 0.022 0.000 1.236 647 R HN -0.048 nan 8.270 nan 0.000 0.465 648 L N 2.710 124.001 121.223 0.115 0.000 2.356 648 L HA 0.359 4.697 4.340 -0.004 0.000 0.264 648 L C -0.110 176.643 176.870 -0.196 0.000 1.029 648 L CA 0.283 54.995 54.840 -0.213 0.000 0.897 648 L CB -0.169 41.690 42.059 -0.334 0.000 1.256 648 L HN 0.701 nan 8.230 nan 0.000 0.444 649 H N 1.440 120.417 119.070 -0.154 0.000 1.452 649 H HA -0.277 4.277 4.556 -0.004 0.000 0.090 649 H C 1.413 176.785 175.328 0.073 0.000 0.626 649 H CA 1.638 57.624 56.048 -0.103 0.000 1.901 649 H CB -1.660 28.024 29.762 -0.129 0.000 2.257 649 H HN 0.656 nan 8.280 nan 0.000 0.961 650 S N 2.629 118.543 115.700 0.355 0.000 2.528 650 S HA 0.058 4.526 4.470 -0.004 0.000 0.219 650 S C 0.593 175.474 174.600 0.468 0.000 0.985 650 S CA 0.385 58.859 58.200 0.457 0.000 0.914 650 S CB 0.174 63.725 63.200 0.586 0.000 0.776 650 S HN 0.411 nan 8.310 nan 0.000 0.526 651 Q N 1.070 121.107 119.800 0.394 0.000 2.311 651 Q HA 0.366 4.704 4.340 -0.004 0.000 0.272 651 Q C 0.123 176.304 176.000 0.301 0.000 1.012 651 Q CA 0.456 56.506 55.803 0.412 0.000 0.891 651 Q CB 0.424 29.465 28.738 0.505 0.000 1.201 651 Q HN 0.512 nan 8.270 nan 0.000 0.391 652 L N 0.994 122.342 121.223 0.209 0.000 4.696 652 L HA -0.273 4.064 4.340 -0.004 0.000 0.398 652 L C 1.044 177.851 176.870 -0.106 0.000 0.971 652 L CA -0.026 54.845 54.840 0.051 0.000 1.427 652 L CB -1.424 40.654 42.059 0.033 0.000 1.965 652 L HN 0.618 nan 8.230 nan 0.000 0.593 653 N N 1.528 120.043 118.700 -0.308 0.000 2.331 653 N HA -0.016 4.722 4.740 -0.004 0.000 0.180 653 N C 1.487 176.494 175.510 -0.839 0.000 1.019 653 N CA 1.703 54.392 53.050 -0.601 0.000 0.881 653 N CB 0.097 37.920 38.487 -1.106 0.000 0.972 653 N HN 0.471 nan 8.380 nan 0.000 0.435 654 G N -0.261 108.065 108.800 -0.789 0.000 3.678 654 G HA2 0.196 4.153 3.960 -0.004 0.000 0.287 654 G HA3 0.196 4.153 3.960 -0.004 0.000 0.287 654 G C -0.060 174.701 174.900 -0.230 0.000 1.280 654 G CA 0.171 44.992 45.100 -0.466 0.000 1.118 654 G HN 0.396 nan 8.290 nan 0.000 0.563 655 T N -4.031 110.356 114.554 -0.278 0.000 2.858 655 T HA 0.393 4.740 4.350 -0.004 0.000 0.285 655 T C 1.572 176.139 174.700 -0.221 0.000 1.052 655 T CA 0.136 62.129 62.100 -0.179 0.000 1.009 655 T CB 1.332 70.118 68.868 -0.137 0.000 1.241 655 T HN 0.304 nan 8.240 nan 0.000 0.542 656 V N 0.161 119.973 119.914 -0.171 0.000 2.469 656 V HA -0.101 4.016 4.120 -0.004 0.000 0.251 656 V C 2.517 178.500 176.094 -0.185 0.000 1.064 656 V CA 1.503 63.701 62.300 -0.171 0.000 1.066 656 V CB -1.753 29.989 31.823 -0.135 0.000 0.667 656 V HN 0.791 nan 8.190 nan 0.000 0.461 657 L N -0.035 121.095 121.223 -0.155 0.000 2.129 657 L HA -0.208 4.130 4.340 -0.004 0.000 0.212 657 L C 2.929 179.647 176.870 -0.254 0.000 1.087 657 L CA 2.261 57.039 54.840 -0.103 0.000 0.757 657 L CB -0.779 41.291 42.059 0.018 0.000 0.896 657 L HN 0.317 nan 8.230 nan 0.000 0.434 658 R N 0.534 120.770 120.500 -0.441 0.000 2.200 658 R HA -0.231 4.107 4.340 -0.004 0.000 0.234 658 R C 2.110 177.949 176.300 -0.769 0.000 1.127 658 R CA 1.388 56.966 56.100 -0.870 0.000 0.989 658 R CB -0.009 29.875 30.300 -0.694 0.000 0.869 658 R HN 0.248 nan 8.270 nan 0.000 0.459 659 E N -0.456 119.479 120.200 -0.441 0.000 2.204 659 E HA -0.095 4.253 4.350 -0.004 0.000 0.195 659 E C 1.455 177.916 176.600 -0.232 0.000 0.990 659 E CA 1.569 57.798 56.400 -0.285 0.000 0.821 659 E CB -0.264 29.320 29.700 -0.193 0.000 0.750 659 E HN 0.467 nan 8.360 nan 0.000 0.477 660 G N -1.347 107.315 108.800 -0.230 0.000 2.939 660 G HA2 -0.084 3.873 3.960 -0.004 0.000 0.210 660 G HA3 -0.084 3.873 3.960 -0.004 0.000 0.210 660 G C 0.814 175.710 174.900 -0.006 0.000 1.160 660 G CA 0.696 45.744 45.100 -0.086 0.000 0.770 660 G HN 0.460 nan 8.290 nan 0.000 0.543 661 Y N -1.983 118.326 120.300 0.015 0.000 2.425 661 Y HA 0.691 5.238 4.550 -0.004 0.000 0.261 661 Y C 1.139 177.070 175.900 0.052 0.000 1.084 661 Y CA -1.020 57.106 58.100 0.044 0.000 1.248 661 Y CB -0.391 38.119 38.460 0.083 0.000 1.270 661 Y HN 0.121 nan 8.280 nan 0.000 0.524 662 A N 1.651 124.377 122.820 -0.157 0.000 2.445 662 A HA 0.524 4.841 4.320 -0.004 0.000 0.242 662 A C -0.441 177.173 177.584 0.050 0.000 1.075 662 A CA -0.078 51.968 52.037 0.014 0.000 0.777 662 A CB 0.245 19.205 19.000 -0.066 0.000 1.013 662 A HN 0.225 nan 8.150 nan 0.000 0.493 663 V N 3.721 123.693 119.914 0.097 0.000 2.349 663 V HA 0.298 4.415 4.120 -0.004 0.000 0.284 663 V C 0.141 176.320 176.094 0.143 0.000 1.014 663 V CA -0.221 62.133 62.300 0.092 0.000 0.826 663 V CB 0.410 32.282 31.823 0.081 0.000 1.009 663 V HN 1.051 nan 8.190 nan 0.000 0.431 664 Q N 3.312 123.180 119.800 0.113 0.000 2.503 664 Q HA -0.254 4.084 4.340 -0.004 0.000 0.267 664 Q C 1.203 177.261 176.000 0.096 0.000 1.030 664 Q CA 0.954 56.842 55.803 0.142 0.000 1.041 664 Q CB -1.417 27.445 28.738 0.207 0.000 1.406 664 Q HN 1.615 nan 8.270 nan 0.000 0.524 665 G N -0.883 107.930 108.800 0.022 0.000 2.175 665 G HA2 -0.263 3.694 3.960 -0.004 0.000 0.244 665 G HA3 -0.263 3.694 3.960 -0.004 0.000 0.244 665 G C 0.011 174.886 174.900 -0.042 0.000 0.982 665 G CA 0.448 45.519 45.100 -0.049 0.000 0.641 665 G HN 0.546 nan 8.290 nan 0.000 0.527 666 H N 0.034 119.159 119.070 0.093 0.000 2.615 666 H HA 0.561 5.114 4.556 -0.004 0.000 0.346 666 H C 0.209 175.431 175.328 -0.177 0.000 1.200 666 H CA -0.463 55.536 56.048 -0.082 0.000 1.264 666 H CB 1.494 31.184 29.762 -0.121 0.000 1.699 666 H HN 0.243 nan 8.280 nan 0.000 0.567 667 E N 2.813 122.739 120.200 -0.457 0.000 2.384 667 E HA 0.087 4.434 4.350 -0.004 0.000 0.266 667 E C -2.320 174.285 176.600 0.009 0.000 1.012 667 E CA -1.455 54.846 56.400 -0.164 0.000 0.901 667 E CB 0.351 29.887 29.700 -0.274 0.000 0.967 667 E HN 0.230 nan 8.360 nan 0.000 0.435 668 P HA 0.028 nan 4.420 nan 0.000 0.272 668 P C -0.743 176.555 177.300 -0.002 0.000 1.223 668 P CA -0.416 62.727 63.100 0.071 0.000 0.784 668 P CB 0.849 32.620 31.700 0.118 0.000 0.923 669 C N 4.917 124.206 119.300 -0.018 0.000 2.383 669 C HA 0.437 4.895 4.460 -0.004 0.000 0.330 669 C C -0.208 174.761 174.990 -0.034 0.000 1.168 669 C CA -0.757 58.237 59.018 -0.039 0.000 1.374 669 C CB -1.037 26.685 27.740 -0.029 0.000 2.014 669 C HN 0.428 nan 8.230 nan 0.000 0.439 670 L N 6.583 127.772 121.223 -0.056 0.000 2.315 670 L HA 0.444 4.782 4.340 -0.004 0.000 0.283 670 L C 0.155 177.025 176.870 0.001 0.000 1.089 670 L CA 0.322 55.143 54.840 -0.032 0.000 0.833 670 L CB 0.970 42.998 42.059 -0.052 0.000 1.170 670 L HN 0.710 nan 8.230 nan 0.000 0.442 671 M N 3.374 122.985 119.600 0.018 0.000 2.465 671 M HA 0.363 4.841 4.480 -0.004 0.000 0.316 671 M C -0.451 175.893 176.300 0.073 0.000 1.121 671 M CA -0.616 54.715 55.300 0.051 0.000 0.934 671 M CB 2.036 34.661 32.600 0.042 0.000 1.692 671 M HN 0.480 nan 8.290 nan 0.000 0.444 672 H N 4.952 124.031 119.070 0.016 0.000 2.652 672 H HA 0.255 4.808 4.556 -0.004 0.000 0.349 672 H C -2.133 173.204 175.328 0.016 0.000 1.099 672 H CA -1.143 54.916 56.048 0.018 0.000 1.417 672 H CB 1.349 31.123 29.762 0.020 0.000 1.457 672 H HN 0.488 nan 8.280 nan 0.000 0.568 673 P HA -0.164 nan 4.420 nan 0.000 0.216 673 P C 0.861 178.280 177.300 0.197 0.000 1.153 673 P CA 1.317 64.421 63.100 0.008 0.000 0.858 673 P CB 0.442 32.069 31.700 -0.121 0.000 0.789 674 D N -0.603 120.098 120.400 0.501 0.000 2.117 674 D HA -0.135 4.503 4.640 -0.004 0.000 0.198 674 D C 1.610 177.990 176.300 0.133 0.000 0.982 674 D CA 1.071 55.210 54.000 0.232 0.000 0.828 674 D CB -0.837 40.025 40.800 0.104 0.000 0.967 674 D HN 0.169 nan 8.370 nan 0.000 0.464 675 D N 0.310 120.797 120.400 0.145 0.000 2.178 675 D HA -0.074 4.564 4.640 -0.004 0.000 0.201 675 D C 1.920 178.265 176.300 0.075 0.000 0.980 675 D CA 0.987 55.034 54.000 0.078 0.000 0.842 675 D CB -0.069 40.773 40.800 0.070 0.000 0.948 675 D HN 0.153 nan 8.370 nan 0.000 0.472 676 A N 1.079 123.951 122.820 0.086 0.000 1.930 676 A HA 0.101 4.419 4.320 -0.004 0.000 0.215 676 A C 2.321 179.935 177.584 0.050 0.000 1.176 676 A CA 1.623 53.695 52.037 0.059 0.000 0.632 676 A CB -0.524 18.504 19.000 0.048 0.000 0.819 676 A HN 0.207 nan 8.150 nan 0.000 0.445 677 A N 0.336 123.189 122.820 0.054 0.000 1.851 677 A HA 0.068 4.385 4.320 -0.004 0.000 0.216 677 A C 2.551 180.157 177.584 0.037 0.000 1.195 677 A CA 2.523 54.586 52.037 0.042 0.000 0.622 677 A CB -1.336 17.691 19.000 0.045 0.000 0.831 677 A HN 1.212 nan 8.150 nan 0.000 0.444 678 A N -0.528 122.315 122.820 0.039 0.000 1.940 678 A HA -0.251 4.067 4.320 -0.004 0.000 0.221 678 A C 2.148 179.752 177.584 0.033 0.000 1.190 678 A CA 2.150 54.207 52.037 0.033 0.000 0.647 678 A CB -0.410 18.608 19.000 0.031 0.000 0.821 678 A HN 0.540 nan 8.150 nan 0.000 0.457 679 R N -1.531 118.992 120.500 0.038 0.000 2.359 679 R HA 0.309 4.646 4.340 -0.004 0.000 0.231 679 R C 0.971 177.292 176.300 0.035 0.000 0.913 679 R CA 0.558 56.682 56.100 0.040 0.000 1.075 679 R CB -0.000 30.328 30.300 0.047 0.000 1.087 679 R HN 0.680 nan 8.270 nan 0.000 0.515 680 G N 1.737 110.556 108.800 0.031 0.000 2.350 680 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.298 680 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.298 680 G C -0.122 174.794 174.900 0.028 0.000 1.037 680 G CA 0.040 45.155 45.100 0.026 0.000 1.074 680 G HN 0.274 nan 8.290 nan 0.000 0.511 681 I N 0.595 121.183 120.570 0.031 0.000 2.377 681 I HA 0.628 4.796 4.170 -0.004 0.000 0.293 681 I C 0.642 176.775 176.117 0.026 0.000 0.987 681 I CA -0.589 60.729 61.300 0.031 0.000 1.185 681 I CB 1.839 39.860 38.000 0.035 0.000 1.341 681 I HN 0.369 nan 8.210 nan 0.000 0.455 682 A N 5.142 127.976 122.820 0.024 0.000 2.325 682 A HA 0.283 4.601 4.320 -0.004 0.000 0.333 682 A C -0.323 177.273 177.584 0.019 0.000 1.155 682 A CA -0.637 51.411 52.037 0.020 0.000 0.814 682 A CB 0.795 19.806 19.000 0.018 0.000 1.206 682 A HN 0.773 nan 8.150 nan 0.000 0.482 683 D N 0.852 121.261 120.400 0.015 0.000 2.586 683 D HA 0.241 4.878 4.640 -0.004 0.000 0.234 683 D C 1.261 177.572 176.300 0.018 0.000 1.132 683 D CA 2.237 56.245 54.000 0.013 0.000 0.860 683 D CB 0.314 41.118 40.800 0.007 0.000 1.159 683 D HN 1.214 nan 8.370 nan 0.000 0.490 684 G N 3.663 112.476 108.800 0.023 0.000 2.213 684 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.226 684 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.226 684 G C 0.184 175.106 174.900 0.037 0.000 0.992 684 G CA -0.000 45.118 45.100 0.030 0.000 0.632 684 G HN 0.593 nan 8.290 nan 0.000 0.511 685 D N 0.280 120.699 120.400 0.032 0.000 2.357 685 D HA 0.464 5.102 4.640 -0.004 0.000 0.242 685 D C 0.741 177.056 176.300 0.025 0.000 1.153 685 D CA -0.049 53.973 54.000 0.036 0.000 0.918 685 D CB 1.647 42.468 40.800 0.035 0.000 1.181 685 D HN 0.133 nan 8.370 nan 0.000 0.435 686 V N 1.941 121.873 119.914 0.029 0.000 2.461 686 V HA 0.285 4.402 4.120 -0.004 0.000 0.275 686 V C 0.429 176.522 176.094 -0.003 0.000 1.047 686 V CA -0.437 61.835 62.300 -0.048 0.000 0.955 686 V CB 1.160 32.951 31.823 -0.054 0.000 0.988 686 V HN 0.346 nan 8.190 nan 0.000 0.471 687 V N 2.976 122.854 119.914 -0.060 0.000 2.960 687 V HA 0.702 4.820 4.120 -0.004 0.000 0.315 687 V C -0.334 175.753 176.094 -0.011 0.000 1.087 687 V CA -1.269 61.039 62.300 0.014 0.000 0.982 687 V CB 1.918 33.750 31.823 0.014 0.000 1.039 687 V HN 0.807 nan 8.190 nan 0.000 0.437 688 R N 1.335 121.886 120.500 0.085 0.000 2.295 688 R HA 0.738 5.076 4.340 -0.004 0.000 0.324 688 R C -1.610 174.779 176.300 0.148 0.000 0.968 688 R CA -0.432 55.726 56.100 0.096 0.000 0.837 688 R CB 1.704 32.107 30.300 0.172 0.000 1.133 688 R HN 0.751 nan 8.270 nan 0.000 0.450 689 V N 5.587 125.553 119.914 0.087 0.000 2.384 689 V HA 0.385 4.503 4.120 -0.004 0.000 0.287 689 V C -0.757 175.374 176.094 0.061 0.000 1.020 689 V CA -0.618 61.701 62.300 0.033 0.000 0.850 689 V CB 1.101 32.905 31.823 -0.031 0.000 0.987 689 V HN 0.995 nan 8.190 nan 0.000 0.436 690 H N 2.765 121.780 119.070 -0.092 0.000 3.037 690 H HA 0.849 5.402 4.556 -0.004 0.000 0.355 690 H C -0.759 174.384 175.328 -0.309 0.000 1.263 690 H CA -0.910 55.062 56.048 -0.128 0.000 1.129 690 H CB 1.750 31.486 29.762 -0.043 0.000 1.861 690 H HN 0.558 nan 8.280 nan 0.000 0.546 691 N N -0.124 118.391 118.700 -0.308 0.000 3.506 691 N HA 0.163 4.901 4.740 -0.004 0.000 0.331 691 N C -0.455 174.993 175.510 -0.104 0.000 1.631 691 N CA -0.683 51.953 53.050 -0.691 0.000 0.786 691 N CB 0.057 38.055 38.487 -0.816 0.000 2.023 691 N HN 0.580 nan 8.380 nan 0.000 0.621 692 D N -0.705 119.720 120.400 0.042 0.000 2.347 692 D HA 0.089 4.726 4.640 -0.004 0.000 0.215 692 D C 1.228 177.559 176.300 0.051 0.000 0.976 692 D CA 0.539 54.620 54.000 0.134 0.000 0.884 692 D CB 0.334 41.247 40.800 0.188 0.000 0.915 692 D HN 0.398 nan 8.370 nan 0.000 0.526 693 R N -0.196 120.301 120.500 -0.004 0.000 2.090 693 R HA 0.241 4.579 4.340 -0.004 0.000 0.219 693 R C 1.193 177.485 176.300 -0.014 0.000 1.100 693 R CA 0.727 56.816 56.100 -0.019 0.000 0.991 693 R CB 0.490 30.760 30.300 -0.050 0.000 0.893 693 R HN 0.074 nan 8.270 nan 0.000 0.443 694 G N -0.491 108.300 108.800 -0.014 0.000 2.548 694 G HA2 0.314 4.272 3.960 -0.004 0.000 0.301 694 G HA3 0.314 4.272 3.960 -0.004 0.000 0.301 694 G C -1.968 172.953 174.900 0.035 0.000 1.349 694 G CA -0.810 44.297 45.100 0.012 0.000 0.792 694 G HN 0.135 nan 8.290 nan 0.000 0.481 695 Q N -0.995 118.839 119.800 0.057 0.000 2.289 695 Q HA 0.730 5.067 4.340 -0.004 0.000 0.270 695 Q C -0.773 175.262 176.000 0.059 0.000 1.038 695 Q CA -0.994 54.854 55.803 0.075 0.000 0.812 695 Q CB 2.493 31.275 28.738 0.074 0.000 1.300 695 Q HN 0.990 nan 8.270 nan 0.000 0.427 696 I N -1.119 119.475 120.570 0.041 0.000 3.042 696 I HA 0.675 4.843 4.170 -0.004 0.000 0.310 696 I C -1.291 174.798 176.117 -0.047 0.000 1.117 696 I CA -1.665 59.646 61.300 0.018 0.000 1.003 696 I CB 1.876 39.896 38.000 0.033 0.000 1.228 696 I HN 0.580 nan 8.210 nan 0.000 0.443 697 L N 2.567 123.727 121.223 -0.105 0.000 2.317 697 L HA 0.724 5.062 4.340 -0.004 0.000 0.281 697 L C -0.098 176.631 176.870 -0.236 0.000 1.024 697 L CA -0.308 54.380 54.840 -0.252 0.000 0.810 697 L CB 1.984 43.771 42.059 -0.453 0.000 1.240 697 L HN 0.923 nan 8.230 nan 0.000 0.427 698 T N -1.097 113.303 114.554 -0.256 0.000 2.778 698 T HA 0.726 5.074 4.350 -0.004 0.000 0.293 698 T C -0.338 174.255 174.700 -0.177 0.000 1.144 698 T CA -0.790 61.205 62.100 -0.174 0.000 1.010 698 T CB 1.905 70.720 68.868 -0.089 0.000 1.325 698 T HN 0.637 nan 8.240 nan 0.000 0.515 699 G N 0.150 108.919 108.800 -0.052 0.000 2.544 699 G HA2 0.575 4.533 3.960 -0.004 0.000 0.313 699 G HA3 0.575 4.533 3.960 -0.004 0.000 0.313 699 G C -0.855 174.050 174.900 0.008 0.000 1.316 699 G CA -0.657 44.441 45.100 -0.004 0.000 0.944 699 G HN 0.775 nan 8.290 nan 0.000 0.489 700 V N 1.980 121.897 119.914 0.006 0.000 2.583 700 V HA 0.314 4.432 4.120 -0.004 0.000 0.287 700 V C 0.259 176.361 176.094 0.014 0.000 1.051 700 V CA -0.249 62.056 62.300 0.008 0.000 1.010 700 V CB 1.375 33.205 31.823 0.011 0.000 0.988 700 V HN 0.664 nan 8.190 nan 0.000 0.478 701 K N 3.260 123.665 120.400 0.009 0.000 2.358 701 K HA 0.564 4.882 4.320 -0.004 0.000 0.260 701 K C -1.030 175.569 176.600 -0.001 0.000 0.956 701 K CA -0.354 55.937 56.287 0.007 0.000 0.834 701 K CB 1.845 34.350 32.500 0.008 0.000 1.102 701 K HN 0.484 nan 8.250 nan 0.000 0.431 702 V N 3.745 123.656 119.914 -0.005 0.000 2.432 702 V HA 0.471 4.589 4.120 -0.004 0.000 0.275 702 V C -0.354 175.718 176.094 -0.038 0.000 1.043 702 V CA -0.173 62.116 62.300 -0.018 0.000 0.925 702 V CB 1.193 33.007 31.823 -0.015 0.000 0.985 702 V HN 0.942 nan 8.190 nan 0.000 0.466 703 T N 1.321 115.839 114.554 -0.061 0.000 2.885 703 T HA 0.271 4.619 4.350 -0.004 0.000 0.322 703 T C -0.232 174.387 174.700 -0.136 0.000 1.387 703 T CA -0.643 61.412 62.100 -0.075 0.000 1.041 703 T CB 1.744 70.591 68.868 -0.036 0.000 1.287 703 T HN 0.714 nan 8.240 nan 0.000 0.491 704 D N 0.110 120.421 120.400 -0.149 0.000 2.342 704 D HA 0.292 4.929 4.640 -0.004 0.000 0.221 704 D C 1.615 177.918 176.300 0.005 0.000 1.101 704 D CA -0.020 53.874 54.000 -0.176 0.000 0.837 704 D CB -0.212 40.469 40.800 -0.198 0.000 0.938 704 D HN 0.573 nan 8.370 nan 0.000 0.508 705 A N 0.691 123.524 122.820 0.021 0.000 1.858 705 A HA 0.031 4.349 4.320 -0.004 0.000 0.216 705 A C 1.384 179.040 177.584 0.119 0.000 1.190 705 A CA 1.302 53.381 52.037 0.070 0.000 0.617 705 A CB -0.958 18.069 19.000 0.045 0.000 0.827 705 A HN 0.364 nan 8.150 nan 0.000 0.443 706 V N -0.781 119.194 119.914 0.102 0.000 2.686 706 V HA 0.432 4.550 4.120 -0.004 0.000 0.295 706 V C 0.368 176.575 176.094 0.188 0.000 1.055 706 V CA -0.535 61.844 62.300 0.131 0.000 1.050 706 V CB 0.320 32.206 31.823 0.104 0.000 0.984 706 V HN 0.652 nan 8.190 nan 0.000 0.482 707 M N 2.596 122.283 119.600 0.145 0.000 2.240 707 M HA 0.436 4.913 4.480 -0.004 0.000 0.333 707 M C 0.128 176.463 176.300 0.058 0.000 1.110 707 M CA -0.453 54.912 55.300 0.108 0.000 1.173 707 M CB 0.557 33.173 32.600 0.026 0.000 1.458 707 M HN 0.843 nan 8.290 nan 0.000 0.458 708 K N 2.008 122.342 120.400 -0.110 0.000 2.451 708 K HA 0.325 4.643 4.320 -0.004 0.000 0.280 708 K C 0.735 177.271 176.600 -0.108 0.000 1.020 708 K CA 1.374 57.485 56.287 -0.292 0.000 1.008 708 K CB 0.035 32.199 32.500 -0.560 0.000 0.917 708 K HN 0.957 nan 8.250 nan 0.000 0.478 709 G N 1.711 110.479 108.800 -0.053 0.000 2.213 709 G HA2 -0.198 3.759 3.960 -0.004 0.000 0.226 709 G HA3 -0.198 3.759 3.960 -0.004 0.000 0.226 709 G C -0.475 174.462 174.900 0.062 0.000 0.992 709 G CA -0.024 45.078 45.100 0.002 0.000 0.632 709 G HN 0.586 nan 8.290 nan 0.000 0.511 710 V N 2.385 122.342 119.914 0.073 0.000 2.628 710 V HA 0.791 4.909 4.120 -0.004 0.000 0.306 710 V C 0.424 176.579 176.094 0.101 0.000 1.045 710 V CA -0.494 61.881 62.300 0.126 0.000 0.905 710 V CB 1.841 33.742 31.823 0.131 0.000 0.997 710 V HN 0.771 nan 8.190 nan 0.000 0.436 711 I N 0.844 121.467 120.570 0.089 0.000 2.646 711 I HA 0.673 4.841 4.170 -0.004 0.000 0.299 711 I C -0.674 175.459 176.117 0.027 0.000 1.036 711 I CA -0.734 60.594 61.300 0.047 0.000 1.074 711 I CB 2.087 40.098 38.000 0.018 0.000 1.258 711 I HN 0.649 nan 8.210 nan 0.000 0.430 712 Q N 5.411 125.201 119.800 -0.018 0.000 2.400 712 Q HA 0.600 4.938 4.340 -0.004 0.000 0.255 712 Q C -1.597 174.308 176.000 -0.158 0.000 1.008 712 Q CA -0.567 55.184 55.803 -0.088 0.000 0.841 712 Q CB 1.419 30.065 28.738 -0.153 0.000 1.220 712 Q HN 0.746 nan 8.270 nan 0.000 0.474 713 I N 4.468 124.975 120.570 -0.106 0.000 2.439 713 I HA 0.247 4.415 4.170 -0.004 0.000 0.283 713 I C -0.971 175.164 176.117 0.029 0.000 1.023 713 I CA -0.837 60.423 61.300 -0.067 0.000 1.100 713 I CB 0.858 38.849 38.000 -0.015 0.000 1.238 713 I HN 0.535 nan 8.210 nan 0.000 0.445 714 Y N 3.926 124.277 120.300 0.085 0.000 2.379 714 Y HA 0.158 4.706 4.550 -0.004 0.000 0.337 714 Y C 0.877 176.849 175.900 0.120 0.000 1.238 714 Y CA -0.819 57.346 58.100 0.109 0.000 1.405 714 Y CB 0.521 39.031 38.460 0.084 0.000 1.310 714 Y HN 0.555 nan 8.280 nan 0.000 0.569 715 E N -0.165 120.233 120.200 0.330 0.000 2.374 715 E HA 0.483 4.831 4.350 -0.004 0.000 0.260 715 E C 0.916 177.646 176.600 0.217 0.000 1.101 715 E CA 0.059 56.596 56.400 0.229 0.000 0.907 715 E CB 0.546 30.358 29.700 0.186 0.000 1.014 715 E HN 0.743 nan 8.360 nan 0.000 0.427 716 G N 0.531 109.470 108.800 0.231 0.000 2.201 716 G HA2 -0.155 3.803 3.960 -0.004 0.000 0.212 716 G HA3 -0.155 3.803 3.960 -0.004 0.000 0.212 716 G C 0.494 175.630 174.900 0.393 0.000 0.994 716 G CA -0.319 44.949 45.100 0.281 0.000 0.644 716 G HN 0.949 nan 8.290 nan 0.000 0.508 717 G N -0.244 108.808 108.800 0.419 0.000 2.398 717 G HA2 0.346 4.304 3.960 -0.004 0.000 0.246 717 G HA3 0.346 4.304 3.960 -0.004 0.000 0.246 717 G C 0.063 175.364 174.900 0.668 0.000 1.289 717 G CA -0.215 45.252 45.100 0.613 0.000 0.869 717 G HN 0.257 nan 8.290 nan 0.000 0.543 718 W N 2.303 123.798 121.300 0.326 0.000 2.546 718 W HA 0.235 4.892 4.660 -0.004 0.000 0.323 718 W C 0.287 176.908 176.519 0.170 0.000 1.272 718 W CA -1.405 56.022 57.345 0.137 0.000 1.404 718 W CB -0.488 28.934 29.460 -0.063 0.000 1.411 718 W HN 0.472 nan 8.180 nan 0.000 0.480 719 Y N 4.138 124.578 120.300 0.234 0.000 2.881 719 Y HA -0.065 4.483 4.550 -0.004 0.000 0.335 719 Y C 0.326 176.282 175.900 0.095 0.000 1.263 719 Y CA 0.788 58.980 58.100 0.153 0.000 1.572 719 Y CB 0.269 38.781 38.460 0.087 0.000 1.237 719 Y HN 0.332 nan 8.280 nan 0.000 0.568 720 D N 8.904 129.194 120.400 -0.183 0.000 2.443 720 D HA 0.298 4.936 4.640 -0.004 0.000 0.281 720 D C -3.005 173.089 176.300 -0.344 0.000 1.210 720 D CA -2.213 51.621 54.000 -0.276 0.000 0.875 720 D CB 0.634 41.360 40.800 -0.123 0.000 1.125 720 D HN 0.240 nan 8.370 nan 0.000 0.503 721 P HA 0.056 nan 4.420 nan 0.000 0.265 721 P C 0.762 177.953 177.300 -0.181 0.000 1.193 721 P CA -0.042 62.830 63.100 -0.379 0.000 0.765 721 P CB 1.280 32.749 31.700 -0.386 0.000 0.823 722 S N 0.749 116.393 115.700 -0.094 0.000 2.355 722 S HA -0.090 4.377 4.470 -0.004 0.000 0.222 722 S C 0.692 175.259 174.600 -0.055 0.000 1.031 722 S CA 1.380 59.546 58.200 -0.057 0.000 0.993 722 S CB -0.282 62.907 63.200 -0.020 0.000 0.859 722 S HN 0.626 nan 8.310 nan 0.000 0.453 723 D N 0.115 120.491 120.400 -0.040 0.000 2.855 723 D HA 0.238 4.876 4.640 -0.004 0.000 0.241 723 D C 0.652 176.943 176.300 -0.015 0.000 1.277 723 D CA -0.451 53.530 54.000 -0.033 0.000 0.918 723 D CB 1.858 42.649 40.800 -0.016 0.000 1.462 723 D HN 0.008 nan 8.370 nan 0.000 0.559 724 V N 2.017 121.915 119.914 -0.027 0.000 2.970 724 V HA -0.043 4.074 4.120 -0.004 0.000 0.260 724 V C 1.625 177.740 176.094 0.035 0.000 1.100 724 V CA 2.139 64.449 62.300 0.016 0.000 1.122 724 V CB -1.158 30.654 31.823 -0.018 0.000 0.721 724 V HN 0.682 nan 8.190 nan 0.000 0.483 725 T N -1.639 112.922 114.554 0.013 0.000 3.067 725 T HA 0.061 4.409 4.350 -0.004 0.000 0.257 725 T C 0.851 175.567 174.700 0.027 0.000 1.105 725 T CA 0.633 62.744 62.100 0.019 0.000 1.104 725 T CB -0.273 68.598 68.868 0.004 0.000 0.925 725 T HN 0.751 nan 8.240 nan 0.000 0.498 726 E N 2.888 123.105 120.200 0.028 0.000 2.089 726 E HA 0.285 4.633 4.350 -0.004 0.000 0.284 726 E C -2.755 173.873 176.600 0.046 0.000 1.023 726 E CA -2.810 53.609 56.400 0.031 0.000 0.819 726 E CB 0.795 30.510 29.700 0.024 0.000 1.076 726 E HN 0.136 nan 8.360 nan 0.000 0.396 727 P HA 0.018 nan 4.420 nan 0.000 0.260 727 P C 0.328 177.657 177.300 0.049 0.000 1.185 727 P CA 1.091 64.220 63.100 0.048 0.000 0.763 727 P CB 0.577 32.299 31.700 0.037 0.000 0.776 728 G N 1.746 110.581 108.800 0.059 0.000 2.143 728 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.248 728 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.248 728 G C 0.530 175.470 174.900 0.067 0.000 0.991 728 G CA 0.137 45.272 45.100 0.059 0.000 0.689 728 G HN 0.739 nan 8.290 nan 0.000 0.522 729 T N -0.007 114.592 114.554 0.075 0.000 2.934 729 T HA 0.245 4.593 4.350 -0.004 0.000 0.321 729 T C 0.849 175.592 174.700 0.072 0.000 1.080 729 T CA 0.455 62.593 62.100 0.062 0.000 1.132 729 T CB 0.226 69.125 68.868 0.052 0.000 1.039 729 T HN 1.229 nan 8.240 nan 0.000 0.543 730 L N 4.647 125.898 121.223 0.046 0.000 2.410 730 L HA 0.323 4.661 4.340 -0.004 0.000 0.273 730 L C 0.099 176.990 176.870 0.036 0.000 1.152 730 L CA -0.213 54.651 54.840 0.040 0.000 0.855 730 L CB 0.642 42.710 42.059 0.014 0.000 1.129 730 L HN 0.629 nan 8.230 nan 0.000 0.463 731 D N 3.665 124.111 120.400 0.077 0.000 2.343 731 D HA 0.085 4.722 4.640 -0.004 0.000 0.255 731 D C 0.626 176.957 176.300 0.052 0.000 1.187 731 D CA 0.181 54.233 54.000 0.086 0.000 0.875 731 D CB 0.983 41.928 40.800 0.243 0.000 1.136 731 D HN 0.621 nan 8.370 nan 0.000 0.469 732 K N 2.891 123.313 120.400 0.036 0.000 2.288 732 K HA -0.140 4.177 4.320 -0.004 0.000 0.201 732 K C 0.873 177.616 176.600 0.238 0.000 1.048 732 K CA 0.691 57.030 56.287 0.086 0.000 0.956 732 K CB 0.073 32.602 32.500 0.049 0.000 0.746 732 K HN 0.546 nan 8.250 nan 0.000 0.461 733 Y N -0.177 120.196 120.300 0.122 0.000 2.314 733 Y HA 0.176 4.724 4.550 -0.004 0.000 0.294 733 Y C 0.806 176.856 175.900 0.250 0.000 1.139 733 Y CA 1.095 59.311 58.100 0.194 0.000 1.162 733 Y CB 1.126 39.653 38.460 0.112 0.000 1.121 733 Y HN -0.001 nan 8.280 nan 0.000 0.529 734 G N 1.432 110.291 108.800 0.099 0.000 2.556 734 G HA2 -0.062 3.896 3.960 -0.004 0.000 0.231 734 G HA3 -0.062 3.896 3.960 -0.004 0.000 0.231 734 G C -1.679 173.327 174.900 0.177 0.000 1.687 734 G CA -0.265 44.829 45.100 -0.009 0.000 0.917 734 G HN 0.271 nan 8.290 nan 0.000 0.492 735 D N 0.864 121.420 120.400 0.261 0.000 2.365 735 D HA 0.308 4.946 4.640 -0.004 0.000 0.237 735 D C 1.443 177.819 176.300 0.126 0.000 1.190 735 D CA -0.120 54.026 54.000 0.244 0.000 0.867 735 D CB 1.538 42.497 40.800 0.265 0.000 1.050 735 D HN 0.095 nan 8.370 nan 0.000 0.491 736 V N 4.768 124.748 119.914 0.109 0.000 2.688 736 V HA -0.190 3.927 4.120 -0.004 0.000 0.256 736 V C 1.394 177.496 176.094 0.013 0.000 1.084 736 V CA 1.403 63.736 62.300 0.056 0.000 1.103 736 V CB -0.425 31.444 31.823 0.076 0.000 0.688 736 V HN 0.546 nan 8.190 nan 0.000 0.480 737 N N -0.274 118.424 118.700 -0.003 0.000 2.515 737 N HA 0.000 4.738 4.740 -0.004 0.000 0.191 737 N C 1.325 176.763 175.510 -0.119 0.000 1.182 737 N CA 0.706 53.716 53.050 -0.066 0.000 0.879 737 N CB 0.561 38.997 38.487 -0.086 0.000 0.984 737 N HN 0.426 nan 8.380 nan 0.000 0.453 738 V N 0.331 120.194 119.914 -0.086 0.000 3.041 738 V HA -0.029 4.088 4.120 -0.004 0.000 0.260 738 V C 1.863 177.915 176.094 -0.070 0.000 1.105 738 V CA 0.997 63.244 62.300 -0.087 0.000 1.125 738 V CB -0.108 31.712 31.823 -0.004 0.000 0.730 738 V HN 0.263 nan 8.190 nan 0.000 0.479 739 L N -0.405 120.775 121.223 -0.071 0.000 2.638 739 L HA 0.222 4.559 4.340 -0.004 0.000 0.232 739 L C 1.271 178.083 176.870 -0.097 0.000 1.099 739 L CA 0.063 54.849 54.840 -0.089 0.000 0.883 739 L CB -0.058 41.943 42.059 -0.098 0.000 1.136 739 L HN 0.356 nan 8.230 nan 0.000 0.492 740 S N 0.432 116.078 115.700 -0.091 0.000 2.645 740 S HA 0.690 5.158 4.470 -0.004 0.000 0.266 740 S C 0.018 174.556 174.600 -0.103 0.000 1.258 740 S CA -0.561 57.586 58.200 -0.088 0.000 0.990 740 S CB 1.909 65.066 63.200 -0.071 0.000 0.967 740 S HN 0.113 nan 8.310 nan 0.000 0.556 741 A N 0.202 122.962 122.820 -0.100 0.000 2.320 741 A HA 0.590 4.908 4.320 -0.004 0.000 0.334 741 A C -0.557 176.946 177.584 -0.135 0.000 1.147 741 A CA -0.667 51.304 52.037 -0.110 0.000 0.820 741 A CB 0.761 19.700 19.000 -0.101 0.000 1.218 741 A HN 0.823 nan 8.150 nan 0.000 0.482 742 D N 1.388 121.705 120.400 -0.139 0.000 2.499 742 D HA 0.484 5.122 4.640 -0.004 0.000 0.225 742 D C -0.656 175.582 176.300 -0.103 0.000 1.124 742 D CA -0.013 53.897 54.000 -0.151 0.000 0.938 742 D CB -0.377 40.333 40.800 -0.150 0.000 1.014 742 D HN 0.484 nan 8.370 nan 0.000 0.517 743 I N -0.636 119.869 120.570 -0.108 0.000 2.686 743 I HA 0.720 4.888 4.170 -0.004 0.000 0.295 743 I C 0.557 176.626 176.117 -0.080 0.000 1.114 743 I CA -1.391 59.849 61.300 -0.101 0.000 1.038 743 I CB 1.980 39.880 38.000 -0.168 0.000 1.238 743 I HN 0.148 nan 8.210 nan 0.000 0.420 744 G N 2.228 111.001 108.800 -0.046 0.000 2.554 744 G HA2 0.331 4.288 3.960 -0.004 0.000 0.238 744 G HA3 0.331 4.288 3.960 -0.004 0.000 0.238 744 G C 0.926 175.824 174.900 -0.005 0.000 1.259 744 G CA 0.222 45.308 45.100 -0.024 0.000 0.843 744 G HN 0.930 nan 8.290 nan 0.000 0.582 745 T N -1.849 112.711 114.554 0.010 0.000 2.777 745 T HA 0.099 4.447 4.350 -0.004 0.000 0.266 745 T C 1.277 175.984 174.700 0.012 0.000 1.040 745 T CA 1.336 63.459 62.100 0.037 0.000 1.141 745 T CB -0.286 68.603 68.868 0.034 0.000 0.868 745 T HN 1.471 nan 8.240 nan 0.000 0.444 746 S N -0.916 114.782 115.700 -0.002 0.000 2.655 746 S HA 0.421 4.888 4.470 -0.004 0.000 0.266 746 S C -0.229 174.312 174.600 -0.099 0.000 1.149 746 S CA -0.999 57.186 58.200 -0.025 0.000 0.818 746 S CB 1.241 64.452 63.200 0.020 0.000 1.130 746 S HN 0.067 nan 8.310 nan 0.000 0.476 747 K N -0.166 120.086 120.400 -0.247 0.000 2.432 747 K HA 0.193 4.510 4.320 -0.004 0.000 0.196 747 K C 1.624 177.870 176.600 -0.590 0.000 1.038 747 K CA 0.686 56.672 56.287 -0.502 0.000 0.986 747 K CB -0.336 31.608 32.500 -0.928 0.000 0.782 747 K HN 0.497 nan 8.250 nan 0.000 0.485 748 L N -0.131 120.886 121.223 -0.343 0.000 2.049 748 L HA -0.049 4.289 4.340 -0.004 0.000 0.203 748 L C 1.904 178.647 176.870 -0.213 0.000 1.074 748 L CA 1.639 56.373 54.840 -0.177 0.000 0.749 748 L CB -0.046 41.988 42.059 -0.042 0.000 0.907 748 L HN 0.029 nan 8.230 nan 0.000 0.439 749 A N -2.912 119.867 122.820 -0.069 0.000 2.167 749 A HA 0.128 4.446 4.320 -0.004 0.000 0.208 749 A C 0.794 178.538 177.584 0.267 0.000 1.198 749 A CA 0.104 52.185 52.037 0.074 0.000 0.863 749 A CB 0.227 19.245 19.000 0.030 0.000 0.904 749 A HN 0.477 nan 8.150 nan 0.000 0.484 750 Q N -0.569 119.314 119.800 0.138 0.000 2.457 750 Q HA -0.184 4.154 4.340 -0.004 0.000 0.283 750 Q C 0.659 176.666 176.000 0.012 0.000 1.234 750 Q CA 0.793 56.647 55.803 0.085 0.000 0.877 750 Q CB -2.493 26.318 28.738 0.123 0.000 1.250 750 Q HN 0.792 nan 8.270 nan 0.000 0.481 751 G N 1.166 109.966 108.800 -0.000 0.000 2.631 751 G HA2 0.252 4.209 3.960 -0.004 0.000 0.271 751 G HA3 0.252 4.209 3.960 -0.004 0.000 0.271 751 G C 0.309 175.157 174.900 -0.088 0.000 1.302 751 G CA 0.086 45.149 45.100 -0.061 0.000 1.002 751 G HN 0.512 nan 8.290 nan 0.000 0.519 752 N N -2.915 115.716 118.700 -0.115 0.000 2.492 752 N HA 0.361 5.099 4.740 -0.004 0.000 0.289 752 N C -0.544 174.967 175.510 0.002 0.000 1.133 752 N CA -0.758 52.245 53.050 -0.079 0.000 0.961 752 N CB 1.766 40.208 38.487 -0.075 0.000 1.186 752 N HN 0.239 nan 8.380 nan 0.000 0.493 753 C N 1.808 121.107 119.300 -0.002 0.000 2.429 753 C HA 0.457 4.914 4.460 -0.004 0.000 0.310 753 C C 1.830 176.847 174.990 0.044 0.000 1.446 753 C CA -0.799 58.237 59.018 0.031 0.000 1.747 753 C CB -1.068 26.671 27.740 -0.001 0.000 2.865 753 C HN 1.013 nan 8.230 nan 0.000 0.554 754 G N 0.455 109.305 108.800 0.082 0.000 2.527 754 G HA2 -0.175 3.782 3.960 -0.004 0.000 0.219 754 G HA3 -0.175 3.782 3.960 -0.004 0.000 0.219 754 G C 1.235 176.200 174.900 0.109 0.000 1.117 754 G CA 0.686 45.844 45.100 0.097 0.000 0.759 754 G HN 0.717 nan 8.290 nan 0.000 0.556 755 Q N -0.351 119.530 119.800 0.135 0.000 2.157 755 Q HA 0.118 4.456 4.340 -0.004 0.000 0.229 755 Q C -0.121 175.977 176.000 0.162 0.000 0.827 755 Q CA -0.075 55.823 55.803 0.158 0.000 1.055 755 Q CB 0.886 29.763 28.738 0.231 0.000 1.157 755 Q HN 0.153 nan 8.270 nan 0.000 0.482 756 T N 1.158 115.772 114.554 0.100 0.000 3.383 756 T HA 0.290 4.637 4.350 -0.004 0.000 0.324 756 T C -0.504 174.204 174.700 0.014 0.000 1.822 756 T CA -0.049 62.116 62.100 0.109 0.000 1.424 756 T CB 0.125 69.046 68.868 0.088 0.000 1.093 756 T HN -0.095 nan 8.240 nan 0.000 0.748 757 V N 2.927 122.788 119.914 -0.089 0.000 2.540 757 V HA 0.601 4.719 4.120 -0.004 0.000 0.302 757 V C -0.336 175.626 176.094 -0.219 0.000 1.035 757 V CA -1.000 61.206 62.300 -0.156 0.000 0.873 757 V CB 2.234 33.949 31.823 -0.180 0.000 0.992 757 V HN 0.494 nan 8.190 nan 0.000 0.428 758 L N 3.552 124.710 121.223 -0.108 0.000 2.381 758 L HA 0.989 5.327 4.340 -0.004 0.000 0.268 758 L C -0.018 176.755 176.870 -0.161 0.000 0.997 758 L CA -0.462 54.345 54.840 -0.055 0.000 0.818 758 L CB 2.100 44.217 42.059 0.096 0.000 1.310 758 L HN 0.891 nan 8.230 nan 0.000 0.416 759 A N 2.181 124.899 122.820 -0.170 0.000 2.568 759 A HA 0.753 5.070 4.320 -0.004 0.000 0.291 759 A C -1.710 175.742 177.584 -0.219 0.000 1.159 759 A CA -0.473 51.328 52.037 -0.395 0.000 0.679 759 A CB 2.205 20.993 19.000 -0.353 0.000 1.285 759 A HN 0.616 nan 8.150 nan 0.000 0.428 760 E N -0.448 119.521 120.200 -0.385 0.000 2.256 760 E HA 0.652 5.000 4.350 -0.004 0.000 0.267 760 E C -1.610 174.834 176.600 -0.260 0.000 0.892 760 E CA -0.434 55.843 56.400 -0.205 0.000 0.775 760 E CB 1.940 31.600 29.700 -0.067 0.000 1.207 760 E HN 0.596 nan 8.360 nan 0.000 0.420 761 V N 3.761 123.639 119.914 -0.061 0.000 2.628 761 V HA 0.567 4.684 4.120 -0.004 0.000 0.306 761 V C -0.457 175.691 176.094 0.090 0.000 1.045 761 V CA -0.641 61.668 62.300 0.015 0.000 0.905 761 V CB 1.492 33.322 31.823 0.013 0.000 0.997 761 V HN 0.815 nan 8.190 nan 0.000 0.436 762 E N 3.059 123.340 120.200 0.135 0.000 2.383 762 E HA 0.466 4.813 4.350 -0.004 0.000 0.275 762 E C -1.032 175.632 176.600 0.106 0.000 0.918 762 E CA -1.081 55.395 56.400 0.126 0.000 0.764 762 E CB 2.234 32.035 29.700 0.167 0.000 1.252 762 E HN 0.572 nan 8.360 nan 0.000 0.449 763 K N 2.823 123.270 120.400 0.079 0.000 2.412 763 K HA -0.011 4.306 4.320 -0.004 0.000 0.284 763 K C -1.051 175.610 176.600 0.101 0.000 1.046 763 K CA -0.390 55.942 56.287 0.075 0.000 0.999 763 K CB 0.218 32.745 32.500 0.045 0.000 0.941 763 K HN 0.515 nan 8.250 nan 0.000 0.474 764 Y N 4.591 124.883 120.300 -0.013 0.000 2.605 764 Y HA -0.005 4.543 4.550 -0.004 0.000 0.336 764 Y C 0.269 176.162 175.900 -0.011 0.000 1.111 764 Y CA 0.710 58.798 58.100 -0.020 0.000 1.422 764 Y CB 0.525 38.958 38.460 -0.045 0.000 1.193 764 Y HN 0.784 nan 8.280 nan 0.000 0.526 765 T N 2.277 116.526 114.554 -0.508 0.000 3.145 765 T HA 0.349 4.697 4.350 -0.004 0.000 0.281 765 T C 0.869 175.204 174.700 -0.609 0.000 1.003 765 T CA 0.026 61.866 62.100 -0.434 0.000 0.901 765 T CB -0.105 68.645 68.868 -0.197 0.000 1.112 765 T HN 0.751 nan 8.240 nan 0.000 0.535 766 G N 2.506 110.564 108.800 -1.237 0.000 2.570 766 G HA2 0.520 4.477 3.960 -0.004 0.000 0.276 766 G HA3 0.520 4.477 3.960 -0.004 0.000 0.276 766 G C -2.391 172.273 174.900 -0.393 0.000 1.346 766 G CA -1.255 43.386 45.100 -0.764 0.000 1.034 766 G HN 0.174 nan 8.290 nan 0.000 0.512 767 P HA 0.327 nan 4.420 nan 0.000 0.268 767 P C 0.089 177.499 177.300 0.183 0.000 1.208 767 P CA -0.044 63.090 63.100 0.056 0.000 0.777 767 P CB 0.450 32.196 31.700 0.076 0.000 0.875 768 A N 1.866 124.765 122.820 0.131 0.000 2.466 768 A HA 0.335 4.653 4.320 -0.004 0.000 0.238 768 A C -0.067 177.609 177.584 0.153 0.000 1.074 768 A CA 0.046 52.181 52.037 0.163 0.000 0.774 768 A CB 0.025 19.087 19.000 0.103 0.000 1.015 768 A HN 0.412 nan 8.150 nan 0.000 0.498 769 V N 1.022 121.026 119.914 0.150 0.000 2.823 769 V HA 0.580 4.698 4.120 -0.004 0.000 0.312 769 V C -0.027 176.110 176.094 0.071 0.000 1.072 769 V CA -0.351 62.009 62.300 0.100 0.000 0.937 769 V CB 2.597 34.470 31.823 0.084 0.000 1.013 769 V HN 0.981 nan 8.190 nan 0.000 0.430 770 T N 6.255 120.832 114.554 0.038 0.000 2.756 770 T HA 0.539 4.886 4.350 -0.004 0.000 0.290 770 T C -0.321 174.378 174.700 -0.002 0.000 0.985 770 T CA -0.202 61.908 62.100 0.017 0.000 0.955 770 T CB 0.608 69.479 68.868 0.005 0.000 0.930 770 T HN 0.402 nan 8.240 nan 0.000 0.451 771 L N 3.546 124.766 121.223 -0.007 0.000 2.416 771 L HA 0.333 4.670 4.340 -0.004 0.000 0.272 771 L C 1.397 178.238 176.870 -0.048 0.000 1.161 771 L CA -0.204 54.621 54.840 -0.024 0.000 0.845 771 L CB 0.415 42.477 42.059 0.004 0.000 1.119 771 L HN 0.793 nan 8.230 nan 0.000 0.464 772 T N -3.029 111.462 114.554 -0.105 0.000 3.144 772 T HA 0.124 4.471 4.350 -0.004 0.000 0.290 772 T C 1.288 175.881 174.700 -0.178 0.000 0.966 772 T CA 0.202 62.233 62.100 -0.115 0.000 0.907 772 T CB 0.625 69.426 68.868 -0.111 0.000 1.152 772 T HN 0.672 nan 8.240 nan 0.000 0.532 773 G N 0.688 109.300 108.800 -0.314 0.000 2.623 773 G HA2 0.178 4.135 3.960 -0.004 0.000 0.214 773 G HA3 0.178 4.135 3.960 -0.004 0.000 0.214 773 G C 0.508 175.225 174.900 -0.306 0.000 1.138 773 G CA -0.007 44.860 45.100 -0.388 0.000 0.794 773 G HN 0.491 nan 8.290 nan 0.000 0.535 774 F N 0.690 120.675 119.950 0.058 0.000 2.641 774 F HA 0.331 4.856 4.527 -0.004 0.000 0.302 774 F C 0.599 176.426 175.800 0.044 0.000 1.098 774 F CA -1.287 56.752 58.000 0.064 0.000 1.318 774 F CB 0.256 39.226 39.000 -0.050 0.000 1.035 774 F HN -0.003 nan 8.300 nan 0.000 0.551 775 V N -2.123 117.858 119.914 0.111 0.000 2.823 775 V HA 0.926 5.044 4.120 -0.004 0.000 0.312 775 V C 0.126 176.185 176.094 -0.058 0.000 1.072 775 V CA -1.750 60.576 62.300 0.044 0.000 0.937 775 V CB 0.977 32.804 31.823 0.007 0.000 1.013 775 V HN 0.021 nan 8.190 nan 0.000 0.430 776 A N 4.037 126.801 122.820 -0.093 0.000 2.406 776 A HA 0.695 5.013 4.320 -0.004 0.000 0.243 776 A C -2.241 175.084 177.584 -0.432 0.000 1.082 776 A CA -1.161 50.664 52.037 -0.353 0.000 0.786 776 A CB -0.723 18.152 19.000 -0.209 0.000 1.029 776 A HN 0.864 nan 8.150 nan 0.000 0.495 777 P HA 0.076 nan 4.420 nan 0.000 0.265 777 P C 0.545 177.678 177.300 -0.279 0.000 1.193 777 P CA 0.029 62.832 63.100 -0.494 0.000 0.765 777 P CB 0.504 31.797 31.700 -0.678 0.000 0.823 778 K N 3.185 123.484 120.400 -0.167 0.000 2.097 778 K HA -0.292 4.026 4.320 -0.004 0.000 0.214 778 K C 1.808 178.369 176.600 -0.065 0.000 1.052 778 K CA 2.353 58.582 56.287 -0.096 0.000 0.932 778 K CB -0.563 31.894 32.500 -0.071 0.000 0.716 778 K HN 0.535 nan 8.250 nan 0.000 0.455 779 A N -0.084 122.706 122.820 -0.050 0.000 2.119 779 A HA 0.047 4.365 4.320 -0.004 0.000 0.217 779 A C 1.843 179.443 177.584 0.027 0.000 1.153 779 A CA 1.410 53.447 52.037 -0.000 0.000 0.692 779 A CB -0.256 18.769 19.000 0.042 0.000 0.799 779 A HN 0.377 nan 8.150 nan 0.000 0.458 780 A N -0.530 122.278 122.820 -0.020 0.000 2.337 780 A HA 0.274 4.592 4.320 -0.004 0.000 0.227 780 A C 0.688 178.316 177.584 0.073 0.000 1.259 780 A CA -0.163 51.915 52.037 0.069 0.000 0.870 780 A CB -0.074 18.932 19.000 0.011 0.000 0.927 780 A HN 0.407 nan 8.150 nan 0.000 0.497 781 E N 0.000 120.225 120.200 0.041 0.000 2.725 781 E HA 0.000 4.348 4.350 -0.004 0.000 0.291 781 E CA 0.000 56.418 56.400 0.031 0.000 0.976 781 E CB 0.000 29.702 29.700 0.003 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440