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 1mcz_1_L DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVS 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.677 177.584 0.154 0.000 1.274 2 A CA 0.000 52.117 52.037 0.134 0.000 0.836 2 A CB 0.000 19.101 19.000 0.167 0.000 0.831 3 S N 0.249 116.056 115.700 0.178 0.000 2.603 3 S HA 0.417 4.887 4.470 0.000 0.000 0.268 3 S C 1.194 175.959 174.600 0.275 0.000 1.317 3 S CA 0.064 58.393 58.200 0.214 0.000 1.012 3 S CB 1.038 64.381 63.200 0.238 0.000 0.926 3 S HN 1.470 nan 8.310 nan 0.000 0.539 4 V N 1.826 121.910 119.914 0.284 0.000 2.392 4 V HA -0.202 3.918 4.120 0.000 0.000 0.249 4 V C 2.550 178.952 176.094 0.514 0.000 1.059 4 V CA 2.273 64.757 62.300 0.306 0.000 1.051 4 V CB -1.438 30.493 31.823 0.179 0.000 0.658 4 V HN 1.043 nan 8.190 nan 0.000 0.455 5 H N 0.829 120.216 119.070 0.527 0.000 2.253 5 H HA -0.162 4.394 4.556 0.000 0.000 0.296 5 H C 2.329 177.900 175.328 0.405 0.000 1.074 5 H CA 2.320 58.702 56.048 0.556 0.000 1.263 5 H CB -0.544 29.445 29.762 0.379 0.000 1.363 5 H HN 0.402 nan 8.280 nan 0.000 0.489 6 G N -0.426 108.644 108.800 0.450 0.000 2.446 6 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 6 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 6 G C 1.819 176.860 174.900 0.235 0.000 1.168 6 G CA 1.585 46.861 45.100 0.293 0.000 0.771 6 G HN 0.476 nan 8.290 nan 0.000 0.551 7 T N 0.907 115.633 114.554 0.285 0.000 2.759 7 T HA -0.121 4.229 4.350 0.000 0.000 0.269 7 T C 2.616 177.518 174.700 0.335 0.000 1.042 7 T CA 1.798 64.108 62.100 0.351 0.000 1.140 7 T CB -0.490 68.582 68.868 0.340 0.000 0.864 7 T HN 0.313 nan 8.240 nan 0.000 0.455 8 T N 0.862 115.581 114.554 0.277 0.000 2.737 8 T HA -0.069 4.282 4.350 0.000 0.000 0.265 8 T C 1.650 176.352 174.700 0.004 0.000 1.038 8 T CA 1.147 63.366 62.100 0.198 0.000 1.144 8 T CB -0.555 68.501 68.868 0.314 0.000 0.866 8 T HN 0.440 nan 8.240 nan 0.000 0.434 9 Y N 1.222 121.459 120.300 -0.105 0.000 2.274 9 Y HA -0.105 4.445 4.550 0.000 0.000 0.290 9 Y C 2.652 178.481 175.900 -0.119 0.000 1.145 9 Y CA 1.174 59.095 58.100 -0.299 0.000 1.203 9 Y CB -0.143 37.963 38.460 -0.590 0.000 0.984 9 Y HN 0.182 nan 8.280 nan 0.000 0.533 10 E N 0.514 120.729 120.200 0.025 0.000 2.047 10 E HA -0.190 4.161 4.350 0.000 0.000 0.191 10 E C 2.019 178.488 176.600 -0.219 0.000 0.987 10 E CA 1.001 57.285 56.400 -0.193 0.000 0.799 10 E CB -0.546 28.879 29.700 -0.459 0.000 0.752 10 E HN 0.347 nan 8.360 nan 0.000 0.449 11 L N 0.274 121.517 121.223 0.034 0.000 2.012 11 L HA -0.126 4.214 4.340 0.000 0.000 0.210 11 L C 2.167 179.117 176.870 0.133 0.000 1.073 11 L CA 1.731 56.721 54.840 0.250 0.000 0.748 11 L CB -0.658 41.622 42.059 0.369 0.000 0.891 11 L HN 0.279 nan 8.230 nan 0.000 0.431 12 L N -0.318 120.965 121.223 0.099 0.000 1.989 12 L HA -0.246 4.094 4.340 0.000 0.000 0.211 12 L C 2.908 179.856 176.870 0.131 0.000 1.071 12 L CA 2.094 56.998 54.840 0.107 0.000 0.749 12 L CB -0.730 41.369 42.059 0.067 0.000 0.890 12 L HN 0.422 nan 8.230 nan 0.000 0.431 13 R N -0.290 120.328 120.500 0.196 0.000 2.081 13 R HA -0.121 4.219 4.340 0.000 0.000 0.235 13 R C 2.233 178.526 176.300 -0.013 0.000 1.131 13 R CA 0.889 57.011 56.100 0.036 0.000 0.960 13 R CB -0.509 29.835 30.300 0.074 0.000 0.856 13 R HN 0.187 nan 8.270 nan 0.000 0.436 14 R N 0.627 121.121 120.500 -0.010 0.000 2.193 14 R HA -0.014 4.327 4.340 0.000 0.000 0.229 14 R C 1.405 177.738 176.300 0.055 0.000 1.110 14 R CA 0.879 56.983 56.100 0.007 0.000 0.988 14 R CB -0.109 30.188 30.300 -0.004 0.000 0.871 14 R HN 0.437 nan 8.270 nan 0.000 0.458 15 Q N -0.612 119.221 119.800 0.056 0.000 2.246 15 Q HA 0.154 4.495 4.340 0.000 0.000 0.202 15 Q C 0.695 176.709 176.000 0.023 0.000 0.883 15 Q CA 0.387 56.219 55.803 0.048 0.000 0.952 15 Q CB 0.972 29.729 28.738 0.032 0.000 1.078 15 Q HN 0.522 nan 8.270 nan 0.000 0.493 16 G N 1.133 109.936 108.800 0.004 0.000 2.176 16 G HA2 -0.264 3.696 3.960 0.000 0.000 0.253 16 G HA3 -0.264 3.696 3.960 0.000 0.000 0.253 16 G C 0.251 175.129 174.900 -0.036 0.000 0.979 16 G CA -0.062 45.028 45.100 -0.017 0.000 0.641 16 G HN 0.356 nan 8.290 nan 0.000 0.530 17 I N 1.465 122.012 120.570 -0.038 0.000 2.395 17 I HA 0.445 4.615 4.170 0.000 0.000 0.289 17 I C 0.696 176.605 176.117 -0.346 0.000 1.023 17 I CA 0.172 61.447 61.300 -0.042 0.000 1.350 17 I CB 1.334 39.379 38.000 0.075 0.000 1.409 17 I HN 0.251 nan 8.210 nan 0.000 0.507 18 D N 1.464 121.635 120.400 -0.382 0.000 2.497 18 D HA 0.072 4.713 4.640 0.000 0.000 0.256 18 D C -0.128 175.943 176.300 -0.381 0.000 1.273 18 D CA -0.032 53.469 54.000 -0.831 0.000 0.812 18 D CB 0.462 40.926 40.800 -0.559 0.000 1.190 18 D HN 0.284 nan 8.370 nan 0.000 0.524 19 T N 0.270 114.762 114.554 -0.102 0.000 2.848 19 T HA 0.589 4.939 4.350 0.000 0.000 0.285 19 T C -0.820 173.880 174.700 0.000 0.000 0.995 19 T CA -0.599 61.423 62.100 -0.129 0.000 0.970 19 T CB 2.534 71.155 68.868 -0.411 0.000 0.976 19 T HN -0.114 nan 8.240 nan 0.000 0.441 20 V N 3.936 123.846 119.914 -0.006 0.000 2.378 20 V HA 0.511 4.631 4.120 0.000 0.000 0.288 20 V C -1.002 174.873 176.094 -0.364 0.000 1.016 20 V CA -0.845 61.568 62.300 0.188 0.000 0.840 20 V CB 0.723 32.889 31.823 0.571 0.000 0.994 20 V HN 0.795 nan 8.190 nan 0.000 0.431 21 F N 3.213 123.123 119.950 -0.067 0.000 2.415 21 F HA 0.849 5.376 4.527 0.000 0.000 0.348 21 F C 0.880 176.554 175.800 -0.209 0.000 1.119 21 F CA -0.050 57.805 58.000 -0.242 0.000 1.069 21 F CB 1.896 40.809 39.000 -0.145 0.000 1.124 21 F HN 0.663 nan 8.300 nan 0.000 0.472 22 G N 2.188 110.871 108.800 -0.196 0.000 2.488 22 G HA2 0.269 4.229 3.960 0.000 0.000 0.301 22 G HA3 0.269 4.229 3.960 0.000 0.000 0.301 22 G C -2.231 172.755 174.900 0.144 0.000 1.339 22 G CA -0.910 44.205 45.100 0.026 0.000 0.803 22 G HN 0.523 nan 8.290 nan 0.000 0.482 23 N N 1.128 119.962 118.700 0.224 0.000 2.558 23 N HA 0.377 5.117 4.740 0.000 0.000 0.285 23 N C -2.790 172.839 175.510 0.200 0.000 1.112 23 N CA -1.160 52.012 53.050 0.204 0.000 0.857 23 N CB 3.038 41.602 38.487 0.129 0.000 1.376 23 N HN 0.369 nan 8.380 nan 0.000 0.526 24 P HA 0.240 nan 4.420 nan 0.000 0.269 24 P C -0.159 177.107 177.300 -0.057 0.000 1.217 24 P CA 0.193 63.340 63.100 0.079 0.000 0.783 24 P CB 1.227 32.921 31.700 -0.010 0.000 0.898 25 G N -0.649 108.087 108.800 -0.107 0.000 2.660 25 G HA2 0.363 4.323 3.960 0.000 0.000 0.290 25 G HA3 0.363 4.323 3.960 0.000 0.000 0.290 25 G C 0.736 175.531 174.900 -0.175 0.000 1.432 25 G CA 0.048 44.861 45.100 -0.478 0.000 0.807 25 G HN 0.427 nan 8.290 nan 0.000 0.485 26 S N 0.141 115.734 115.700 -0.178 0.000 2.382 26 S HA -0.165 4.305 4.470 0.000 0.000 0.228 26 S C 1.736 176.295 174.600 -0.069 0.000 1.027 26 S CA 1.725 59.867 58.200 -0.096 0.000 0.991 26 S CB -0.299 62.841 63.200 -0.101 0.000 0.823 26 S HN 0.437 nan 8.310 nan 0.000 0.469 27 N N 1.958 120.755 118.700 0.163 0.000 2.443 27 N HA -0.023 4.717 4.740 0.000 0.000 0.184 27 N C 1.096 176.787 175.510 0.301 0.000 1.037 27 N CA 1.268 54.462 53.050 0.239 0.000 0.896 27 N CB -0.326 38.366 38.487 0.340 0.000 0.959 27 N HN 0.632 nan 8.380 nan 0.000 0.442 28 E N -0.495 119.857 120.200 0.254 0.000 2.476 28 E HA 0.211 4.562 4.350 0.000 0.000 0.199 28 E C 1.758 178.476 176.600 0.197 0.000 1.021 28 E CA -0.154 56.416 56.400 0.285 0.000 0.907 28 E CB 0.062 29.940 29.700 0.297 0.000 0.974 28 E HN 0.221 nan 8.360 nan 0.000 0.489 29 L N 1.016 122.286 121.223 0.079 0.000 2.042 29 L HA -0.138 4.202 4.340 0.000 0.000 0.210 29 L C -0.650 176.245 176.870 0.041 0.000 1.076 29 L CA 1.508 56.353 54.840 0.010 0.000 0.749 29 L CB -1.380 40.644 42.059 -0.058 0.000 0.893 29 L HN 0.137 nan 8.230 nan 0.000 0.432 30 P HA -0.206 nan 4.420 nan 0.000 0.221 30 P C 1.319 178.690 177.300 0.119 0.000 1.145 30 P CA 1.325 64.546 63.100 0.203 0.000 0.795 30 P CB 0.006 31.985 31.700 0.465 0.000 0.775 31 F N -0.404 119.379 119.950 -0.278 0.000 2.317 31 F HA 0.080 4.607 4.527 0.000 0.000 0.293 31 F C 1.702 177.464 175.800 -0.063 0.000 1.085 31 F CA 1.010 58.612 58.000 -0.664 0.000 1.390 31 F CB -0.629 37.718 39.000 -1.089 0.000 1.077 31 F HN -0.287 nan 8.300 nan 0.000 0.517 32 L N 1.053 122.174 121.223 -0.170 0.000 2.341 32 L HA -0.031 4.309 4.340 0.000 0.000 0.214 32 L C 1.079 177.893 176.870 -0.095 0.000 1.115 32 L CA 0.217 54.953 54.840 -0.174 0.000 0.820 32 L CB -0.803 41.166 42.059 -0.150 0.000 0.944 32 L HN 0.039 nan 8.230 nan 0.000 0.452 33 K N 0.293 120.646 120.400 -0.079 0.000 2.469 33 K HA -0.076 4.244 4.320 0.000 0.000 0.274 33 K C -0.319 176.210 176.600 -0.118 0.000 0.983 33 K CA -0.089 56.138 56.287 -0.101 0.000 0.974 33 K CB 0.320 32.753 32.500 -0.111 0.000 0.913 33 K HN 0.005 nan 8.250 nan 0.000 0.493 34 D N 0.590 120.918 120.400 -0.120 0.000 2.723 34 D HA -0.214 4.426 4.640 0.000 0.000 0.236 34 D C -0.713 175.487 176.300 -0.166 0.000 1.138 34 D CA 0.777 54.693 54.000 -0.140 0.000 0.676 34 D CB -1.332 39.340 40.800 -0.214 0.000 1.069 34 D HN 0.507 nan 8.370 nan 0.000 0.430 35 F N 1.109 120.869 119.950 -0.316 0.000 2.590 35 F HA 0.149 4.677 4.527 0.000 0.000 0.389 35 F C -1.375 174.194 175.800 -0.384 0.000 1.049 35 F CA -1.308 56.434 58.000 -0.430 0.000 1.199 35 F CB 0.314 39.148 39.000 -0.278 0.000 1.058 35 F HN -0.136 nan 8.300 nan 0.000 0.556 36 P HA -0.047 nan 4.420 nan 0.000 0.265 36 P C 0.254 177.381 177.300 -0.288 0.000 1.187 36 P CA 0.293 63.049 63.100 -0.573 0.000 0.766 36 P CB 0.474 31.747 31.700 -0.711 0.000 0.820 37 E N 1.515 121.642 120.200 -0.122 0.000 2.409 37 E HA -0.143 4.207 4.350 0.000 0.000 0.198 37 E C 0.713 177.309 176.600 -0.007 0.000 1.024 37 E CA 0.832 57.212 56.400 -0.034 0.000 0.861 37 E CB -0.072 29.611 29.700 -0.027 0.000 0.788 37 E HN 0.616 nan 8.360 nan 0.000 0.521 38 D N -0.275 120.131 120.400 0.010 0.000 2.328 38 D HA -0.024 4.616 4.640 0.000 0.000 0.221 38 D C 0.046 176.288 176.300 -0.096 0.000 1.072 38 D CA -0.024 53.963 54.000 -0.022 0.000 0.850 38 D CB -0.121 40.657 40.800 -0.037 0.000 0.922 38 D HN -0.042 nan 8.370 nan 0.000 0.516 39 F N 1.197 121.005 119.950 -0.238 0.000 2.556 39 F HA 0.483 5.010 4.527 0.000 0.000 0.327 39 F C 0.641 176.447 175.800 0.010 0.000 1.059 39 F CA -1.164 56.693 58.000 -0.238 0.000 0.953 39 F CB 1.719 40.337 39.000 -0.638 0.000 1.227 39 F HN -0.217 nan 8.300 nan 0.000 0.478 40 R N 1.044 121.728 120.500 0.306 0.000 2.686 40 R HA 0.579 4.919 4.340 0.000 0.000 0.283 40 R C -2.236 174.260 176.300 0.327 0.000 0.978 40 R CA -0.881 55.404 56.100 0.310 0.000 0.897 40 R CB 1.764 32.085 30.300 0.035 0.000 1.192 40 R HN 0.680 nan 8.270 nan 0.000 0.457 41 Y N 3.293 123.624 120.300 0.052 0.000 2.352 41 Y HA 0.455 5.006 4.550 0.000 0.000 0.339 41 Y C -0.851 174.890 175.900 -0.265 0.000 0.992 41 Y CA -1.220 56.780 58.100 -0.167 0.000 1.100 41 Y CB 1.441 39.634 38.460 -0.445 0.000 1.192 41 Y HN 0.527 nan 8.280 nan 0.000 0.458 42 I N 8.086 128.209 120.570 -0.744 0.000 2.354 42 I HA 0.194 4.364 4.170 0.000 0.000 0.286 42 I C -0.850 175.047 176.117 -0.366 0.000 1.007 42 I CA -0.787 60.103 61.300 -0.683 0.000 1.167 42 I CB 0.985 38.516 38.000 -0.783 0.000 1.320 42 I HN 0.506 nan 8.210 nan 0.000 0.458 43 L N 6.800 128.126 121.223 0.173 0.000 2.312 43 L HA 0.796 5.137 4.340 0.000 0.000 0.281 43 L C -0.078 177.035 176.870 0.406 0.000 1.070 43 L CA 0.118 55.179 54.840 0.367 0.000 0.805 43 L CB 1.337 43.760 42.059 0.606 0.000 1.174 43 L HN 0.694 nan 8.230 nan 0.000 0.434 44 A N 4.883 127.864 122.820 0.268 0.000 2.401 44 A HA 0.540 4.860 4.320 0.000 0.000 0.310 44 A C 0.399 178.054 177.584 0.118 0.000 1.075 44 A CA -0.634 51.538 52.037 0.225 0.000 0.746 44 A CB 1.076 20.163 19.000 0.144 0.000 1.277 44 A HN 0.868 nan 8.150 nan 0.000 0.425 45 L N 0.055 121.291 121.223 0.023 0.000 2.465 45 L HA 0.053 4.394 4.340 0.000 0.000 0.224 45 L C 0.954 177.797 176.870 -0.044 0.000 1.145 45 L CA 0.973 55.750 54.840 -0.105 0.000 0.834 45 L CB -0.042 41.866 42.059 -0.252 0.000 0.944 45 L HN 0.710 nan 8.230 nan 0.000 0.451 46 Q N -0.620 119.181 119.800 0.002 0.000 2.353 46 Q HA 0.111 4.451 4.340 0.000 0.000 0.275 46 Q C -0.176 175.852 176.000 0.046 0.000 1.029 46 Q CA -0.309 55.508 55.803 0.022 0.000 0.848 46 Q CB 2.311 31.059 28.738 0.017 0.000 1.390 46 Q HN -0.032 nan 8.270 nan 0.000 0.401 47 E N 1.341 121.576 120.200 0.058 0.000 2.171 47 E HA -0.203 4.147 4.350 0.000 0.000 0.197 47 E C 1.520 178.154 176.600 0.057 0.000 0.997 47 E CA 1.935 58.375 56.400 0.066 0.000 0.810 47 E CB -0.010 29.734 29.700 0.073 0.000 0.738 47 E HN 0.655 nan 8.360 nan 0.000 0.467 48 A N -0.029 122.824 122.820 0.055 0.000 1.972 48 A HA -0.195 4.125 4.320 0.000 0.000 0.219 48 A C 2.287 179.900 177.584 0.049 0.000 1.169 48 A CA 1.389 53.461 52.037 0.058 0.000 0.635 48 A CB -0.719 18.325 19.000 0.072 0.000 0.810 48 A HN 0.424 nan 8.150 nan 0.000 0.446 49 C N -1.584 117.742 119.300 0.043 0.000 2.486 49 C HA 0.030 4.491 4.460 0.000 0.000 0.279 49 C C 2.656 177.663 174.990 0.028 0.000 1.302 49 C CA 0.595 59.631 59.018 0.031 0.000 1.720 49 C CB -1.160 26.598 27.740 0.031 0.000 2.030 49 C HN 0.437 nan 8.230 nan 0.000 0.490 50 V N 1.254 121.197 119.914 0.048 0.000 2.233 50 V HA -0.229 3.891 4.120 0.000 0.000 0.247 50 V C 2.474 178.568 176.094 -0.000 0.000 1.050 50 V CA 2.368 64.702 62.300 0.057 0.000 1.010 50 V CB -0.826 31.045 31.823 0.080 0.000 0.637 50 V HN 0.449 nan 8.190 nan 0.000 0.444 51 V N 0.744 120.662 119.914 0.007 0.000 2.427 51 V HA -0.152 3.968 4.120 0.000 0.000 0.248 51 V C 2.599 178.666 176.094 -0.045 0.000 1.051 51 V CA 2.002 64.291 62.300 -0.018 0.000 1.048 51 V CB -1.392 30.446 31.823 0.026 0.000 0.666 51 V HN 0.630 nan 8.190 nan 0.000 0.456 52 G N 0.074 108.861 108.800 -0.022 0.000 2.421 52 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 52 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 52 G C 1.568 176.368 174.900 -0.167 0.000 1.171 52 G CA 1.059 46.129 45.100 -0.050 0.000 0.775 52 G HN 0.484 nan 8.290 nan 0.000 0.543 53 I N 1.362 121.833 120.570 -0.165 0.000 2.179 53 I HA -0.173 3.997 4.170 0.000 0.000 0.242 53 I C 3.320 179.160 176.117 -0.462 0.000 1.088 53 I CA 1.028 62.197 61.300 -0.218 0.000 1.357 53 I CB -0.300 37.650 38.000 -0.084 0.000 1.051 53 I HN 0.245 nan 8.210 nan 0.000 0.409 54 A N 0.261 122.652 122.820 -0.716 0.000 1.940 54 A HA -0.291 4.029 4.320 0.000 0.000 0.219 54 A C 2.077 179.417 177.584 -0.406 0.000 1.176 54 A CA 2.171 53.561 52.037 -1.077 0.000 0.631 54 A CB -0.647 17.893 19.000 -0.767 0.000 0.814 54 A HN 0.443 nan 8.150 nan 0.000 0.446 55 D N -0.316 119.962 120.400 -0.203 0.000 2.084 55 D HA -0.097 4.543 4.640 0.000 0.000 0.194 55 D C 2.109 178.375 176.300 -0.056 0.000 0.990 55 D CA 1.745 55.724 54.000 -0.035 0.000 0.826 55 D CB -0.632 40.243 40.800 0.126 0.000 0.971 55 D HN 0.310 nan 8.370 nan 0.000 0.453 56 G N -0.885 107.822 108.800 -0.155 0.000 2.440 56 G HA2 -0.322 3.639 3.960 0.000 0.000 0.218 56 G HA3 -0.322 3.639 3.960 0.000 0.000 0.218 56 G C 1.700 176.485 174.900 -0.192 0.000 1.154 56 G CA 0.964 45.904 45.100 -0.268 0.000 0.767 56 G HN 0.369 nan 8.290 nan 0.000 0.552 57 Y N 1.996 122.140 120.300 -0.259 0.000 2.128 57 Y HA -0.064 4.486 4.550 0.000 0.000 0.284 57 Y C 2.947 178.793 175.900 -0.090 0.000 1.154 57 Y CA 1.560 59.567 58.100 -0.155 0.000 1.149 57 Y CB -0.373 37.983 38.460 -0.172 0.000 0.976 57 Y HN 0.255 nan 8.280 nan 0.000 0.505 58 A N -0.013 122.804 122.820 -0.006 0.000 1.873 58 A HA -0.227 4.093 4.320 0.000 0.000 0.215 58 A C 2.122 179.680 177.584 -0.044 0.000 1.186 58 A CA 1.857 53.886 52.037 -0.013 0.000 0.616 58 A CB -0.759 18.266 19.000 0.041 0.000 0.823 58 A HN 0.645 nan 8.150 nan 0.000 0.442 59 Q N -0.720 119.058 119.800 -0.037 0.000 2.084 59 Q HA -0.128 4.213 4.340 0.000 0.000 0.202 59 Q C 2.411 178.435 176.000 0.040 0.000 0.978 59 Q CA 1.446 57.267 55.803 0.029 0.000 0.844 59 Q CB -0.343 28.428 28.738 0.054 0.000 0.898 59 Q HN 0.690 nan 8.270 nan 0.000 0.426 60 A N 1.070 123.839 122.820 -0.085 0.000 1.898 60 A HA -0.132 4.188 4.320 0.000 0.000 0.214 60 A C 2.242 179.777 177.584 -0.082 0.000 1.183 60 A CA 1.513 53.533 52.037 -0.028 0.000 0.622 60 A CB -0.470 18.466 19.000 -0.107 0.000 0.824 60 A HN 0.426 nan 8.150 nan 0.000 0.444 61 S N -1.281 114.290 115.700 -0.215 0.000 2.481 61 S HA -0.050 4.420 4.470 0.000 0.000 0.231 61 S C 0.976 175.510 174.600 -0.111 0.000 0.996 61 S CA 0.703 58.760 58.200 -0.239 0.000 0.942 61 S CB -0.359 62.548 63.200 -0.488 0.000 0.768 61 S HN 0.525 nan 8.310 nan 0.000 0.520 62 R N 0.365 120.830 120.500 -0.059 0.000 3.651 62 R HA -0.114 4.227 4.340 0.000 0.000 0.292 62 R C -0.920 175.375 176.300 -0.008 0.000 1.161 62 R CA 0.991 57.085 56.100 -0.009 0.000 0.787 62 R CB -1.992 28.311 30.300 0.006 0.000 1.249 62 R HN 0.564 nan 8.270 nan 0.000 0.476 63 K N -0.004 120.387 120.400 -0.016 0.000 2.508 63 K HA 0.427 4.748 4.320 0.000 0.000 0.260 63 K C -2.553 174.080 176.600 0.055 0.000 0.949 63 K CA -2.011 54.285 56.287 0.016 0.000 0.834 63 K CB 2.619 35.125 32.500 0.010 0.000 1.365 63 K HN -0.218 nan 8.250 nan 0.000 0.437 64 P HA 0.027 nan 4.420 nan 0.000 0.269 64 P C -1.265 176.159 177.300 0.206 0.000 1.215 64 P CA -0.193 62.978 63.100 0.119 0.000 0.780 64 P CB 0.801 32.563 31.700 0.104 0.000 0.898 65 A N 2.895 125.851 122.820 0.226 0.000 2.342 65 A HA 0.565 4.885 4.320 0.000 0.000 0.323 65 A C -1.102 176.686 177.584 0.340 0.000 1.125 65 A CA -0.651 51.589 52.037 0.338 0.000 0.785 65 A CB 0.498 19.627 19.000 0.214 0.000 1.221 65 A HN 0.501 nan 8.150 nan 0.000 0.463 66 F N 2.784 122.922 119.950 0.313 0.000 2.408 66 F HA 0.705 5.232 4.527 0.000 0.000 0.344 66 F C -0.420 175.565 175.800 0.308 0.000 1.112 66 F CA -0.522 57.637 58.000 0.265 0.000 1.096 66 F CB 0.678 39.831 39.000 0.255 0.000 1.129 66 F HN 0.430 nan 8.300 nan 0.000 0.486 67 I N 4.759 125.115 120.570 -0.356 0.000 2.646 67 I HA 0.316 4.486 4.170 0.000 0.000 0.299 67 I C -1.142 174.796 176.117 -0.299 0.000 1.036 67 I CA -0.997 60.221 61.300 -0.138 0.000 1.074 67 I CB 2.235 40.203 38.000 -0.054 0.000 1.258 67 I HN 0.525 nan 8.210 nan 0.000 0.430 68 N N 5.943 124.655 118.700 0.020 0.000 2.540 68 N HA 0.570 5.310 4.740 0.000 0.000 0.275 68 N C -1.599 174.003 175.510 0.152 0.000 1.053 68 N CA -0.324 52.788 53.050 0.103 0.000 0.876 68 N CB 1.015 39.739 38.487 0.394 0.000 1.284 68 N HN 0.471 nan 8.380 nan 0.000 0.518 69 L N 1.074 122.365 121.223 0.114 0.000 2.304 69 L HA 0.487 4.827 4.340 0.000 0.000 0.268 69 L C -0.277 176.713 176.870 0.201 0.000 1.010 69 L CA -1.235 53.700 54.840 0.159 0.000 0.813 69 L CB 1.254 43.397 42.059 0.139 0.000 1.315 69 L HN 0.566 nan 8.230 nan 0.000 0.445 70 H N 0.491 119.625 119.070 0.106 0.000 2.690 70 H HA 0.313 4.869 4.556 0.000 0.000 0.289 70 H C 0.291 175.677 175.328 0.097 0.000 1.089 70 H CA 0.636 56.744 56.048 0.100 0.000 1.299 70 H CB 0.675 30.488 29.762 0.085 0.000 1.405 70 H HN 0.696 nan 8.280 nan 0.000 0.463 71 S N 2.922 118.468 115.700 -0.256 0.000 2.865 71 S HA -0.377 4.093 4.470 0.000 0.000 0.630 71 S C 1.787 176.348 174.600 -0.064 0.000 3.160 71 S CA 1.616 59.687 58.200 -0.215 0.000 3.629 71 S CB -1.271 61.673 63.200 -0.426 0.000 0.312 71 S HN 1.098 nan 8.310 nan 0.000 1.632 72 A N 0.499 123.283 122.820 -0.061 0.000 1.858 72 A HA 0.251 4.572 4.320 0.000 0.000 0.216 72 A C 2.682 180.261 177.584 -0.009 0.000 1.190 72 A CA 2.814 54.840 52.037 -0.018 0.000 0.617 72 A CB -1.629 17.356 19.000 -0.024 0.000 0.827 72 A HN 1.765 nan 8.150 nan 0.000 0.443 73 A N -0.476 122.340 122.820 -0.007 0.000 1.883 73 A HA 0.046 4.366 4.320 0.000 0.000 0.217 73 A C 2.437 180.053 177.584 0.053 0.000 1.186 73 A CA 2.193 54.248 52.037 0.030 0.000 0.624 73 A CB -1.480 17.556 19.000 0.061 0.000 0.822 73 A HN 0.772 nan 8.150 nan 0.000 0.444 74 G N -1.392 107.455 108.800 0.078 0.000 2.421 74 G HA2 -0.133 3.827 3.960 0.000 0.000 0.216 74 G HA3 -0.133 3.827 3.960 0.000 0.000 0.216 74 G C 1.587 176.536 174.900 0.083 0.000 1.171 74 G CA 1.637 46.803 45.100 0.109 0.000 0.775 74 G HN 0.434 nan 8.290 nan 0.000 0.543 75 T N 1.074 115.674 114.554 0.077 0.000 2.708 75 T HA -0.059 4.291 4.350 0.000 0.000 0.266 75 T C 2.501 177.199 174.700 -0.003 0.000 1.037 75 T CA 1.518 63.654 62.100 0.061 0.000 1.146 75 T CB -0.676 68.228 68.868 0.060 0.000 0.865 75 T HN 0.358 nan 8.240 nan 0.000 0.435 76 G N 2.313 111.107 108.800 -0.009 0.000 2.476 76 G HA2 -0.290 3.670 3.960 0.000 0.000 0.218 76 G HA3 -0.290 3.670 3.960 0.000 0.000 0.218 76 G C 1.589 176.490 174.900 0.001 0.000 1.164 76 G CA 0.791 45.879 45.100 -0.020 0.000 0.768 76 G HN 0.404 nan 8.290 nan 0.000 0.560 77 N N 1.056 119.770 118.700 0.025 0.000 2.443 77 N HA -0.013 4.727 4.740 0.000 0.000 0.184 77 N C 1.925 177.457 175.510 0.037 0.000 1.037 77 N CA 0.990 54.062 53.050 0.036 0.000 0.896 77 N CB -0.132 38.384 38.487 0.048 0.000 0.959 77 N HN 0.371 nan 8.380 nan 0.000 0.442 78 A N -0.314 122.524 122.820 0.030 0.000 2.348 78 A HA 0.182 4.502 4.320 0.000 0.000 0.224 78 A C 1.884 179.476 177.584 0.012 0.000 1.227 78 A CA -0.123 51.933 52.037 0.032 0.000 0.885 78 A CB 0.036 19.062 19.000 0.044 0.000 0.933 78 A HN -0.006 nan 8.150 nan 0.000 0.506 79 M N -0.120 119.474 119.600 -0.011 0.000 2.108 79 M HA -0.137 4.343 4.480 0.000 0.000 0.261 79 M C 2.209 178.496 176.300 -0.022 0.000 1.066 79 M CA 1.719 56.997 55.300 -0.036 0.000 1.107 79 M CB -1.696 30.872 32.600 -0.055 0.000 1.356 79 M HN 0.474 nan 8.290 nan 0.000 0.406 80 G N -0.121 108.678 108.800 -0.003 0.000 2.418 80 G HA2 -0.088 3.872 3.960 0.000 0.000 0.217 80 G HA3 -0.088 3.872 3.960 0.000 0.000 0.217 80 G C 1.675 176.578 174.900 0.005 0.000 1.158 80 G CA 1.296 46.395 45.100 -0.002 0.000 0.771 80 G HN 0.556 nan 8.290 nan 0.000 0.545 81 A N 0.498 123.336 122.820 0.031 0.000 1.933 81 A HA 0.116 4.436 4.320 0.000 0.000 0.218 81 A C 2.409 180.022 177.584 0.048 0.000 1.175 81 A CA 1.168 53.240 52.037 0.058 0.000 0.628 81 A CB -0.369 18.673 19.000 0.071 0.000 0.814 81 A HN 0.358 nan 8.150 nan 0.000 0.444 82 L N 0.495 121.740 121.223 0.035 0.000 2.201 82 L HA -0.166 4.175 4.340 0.000 0.000 0.212 82 L C 2.991 179.898 176.870 0.063 0.000 1.105 82 L CA 1.409 56.280 54.840 0.052 0.000 0.775 82 L CB -0.474 41.602 42.059 0.028 0.000 0.913 82 L HN 0.657 nan 8.230 nan 0.000 0.440 83 S N -0.370 115.338 115.700 0.014 0.000 2.382 83 S HA -0.169 4.301 4.470 0.000 0.000 0.228 83 S C 1.764 176.384 174.600 0.033 0.000 1.027 83 S CA 1.184 59.387 58.200 0.006 0.000 0.991 83 S CB -0.350 62.823 63.200 -0.044 0.000 0.823 83 S HN 0.432 nan 8.310 nan 0.000 0.469 84 N N 2.479 121.164 118.700 -0.025 0.000 2.135 84 N HA 0.098 4.839 4.740 0.000 0.000 0.186 84 N C 2.114 177.584 175.510 -0.066 0.000 1.027 84 N CA 1.458 54.440 53.050 -0.115 0.000 0.849 84 N CB -0.992 37.347 38.487 -0.247 0.000 1.002 84 N HN 0.596 nan 8.380 nan 0.000 0.425 85 A N 1.524 124.351 122.820 0.011 0.000 1.948 85 A HA -0.185 4.136 4.320 0.000 0.000 0.220 85 A C 2.042 179.671 177.584 0.074 0.000 1.177 85 A CA 1.209 53.275 52.037 0.048 0.000 0.636 85 A CB -1.107 17.947 19.000 0.090 0.000 0.815 85 A HN 0.613 nan 8.150 nan 0.000 0.449 86 W N 1.060 122.329 121.300 -0.053 0.000 2.358 86 W HA -0.181 4.479 4.660 0.000 0.000 0.303 86 W C 1.368 177.810 176.519 -0.129 0.000 1.208 86 W CA 1.954 59.270 57.345 -0.048 0.000 1.274 86 W CB -0.486 28.950 29.460 -0.039 0.000 1.138 86 W HN 0.413 nan 8.180 nan 0.000 0.515 87 N N 0.333 119.032 118.700 -0.001 0.000 2.331 87 N HA -0.145 4.595 4.740 0.000 0.000 0.180 87 N C 1.788 177.095 175.510 -0.338 0.000 1.019 87 N CA 2.060 55.008 53.050 -0.169 0.000 0.881 87 N CB -0.452 38.009 38.487 -0.044 0.000 0.972 87 N HN 0.130 nan 8.380 nan 0.000 0.435 88 S N -1.526 114.033 115.700 -0.235 0.000 2.556 88 S HA 0.094 4.564 4.470 0.000 0.000 0.216 88 S C -0.122 174.428 174.600 -0.084 0.000 0.970 88 S CA -0.297 57.812 58.200 -0.153 0.000 0.912 88 S CB -0.543 62.618 63.200 -0.064 0.000 0.790 88 S HN 0.401 nan 8.310 nan 0.000 0.504 89 H N 0.837 119.832 119.070 -0.124 0.000 2.791 89 H HA -0.131 4.426 4.556 0.000 0.000 0.302 89 H C -0.657 174.636 175.328 -0.058 0.000 1.198 89 H CA 0.395 56.358 56.048 -0.142 0.000 1.145 89 H CB -2.162 27.526 29.762 -0.122 0.000 1.385 89 H HN 0.375 nan 8.280 nan 0.000 0.409 90 S N 2.521 118.259 115.700 0.063 0.000 2.481 90 S HA 0.116 4.586 4.470 0.000 0.000 0.276 90 S C -1.807 172.835 174.600 0.069 0.000 1.247 90 S CA -0.985 57.256 58.200 0.069 0.000 1.053 90 S CB 0.913 64.151 63.200 0.064 0.000 0.925 90 S HN 0.211 nan 8.310 nan 0.000 0.491 91 P HA 0.185 nan 4.420 nan 0.000 0.263 91 P C -1.042 176.308 177.300 0.084 0.000 1.601 91 P CA 0.011 63.152 63.100 0.069 0.000 1.161 91 P CB -0.197 31.537 31.700 0.057 0.000 1.730 92 L N 4.468 125.745 121.223 0.089 0.000 2.313 92 L HA 0.502 4.843 4.340 0.000 0.000 0.283 92 L C 0.708 177.630 176.870 0.087 0.000 1.013 92 L CA -0.971 53.919 54.840 0.083 0.000 0.816 92 L CB 1.913 44.013 42.059 0.068 0.000 1.236 92 L HN 0.153 nan 8.230 nan 0.000 0.419 93 I N 4.277 124.884 120.570 0.062 0.000 2.310 93 I HA 0.188 4.358 4.170 0.000 0.000 0.287 93 I C -0.288 175.736 176.117 -0.155 0.000 1.073 93 I CA -0.516 60.793 61.300 0.016 0.000 1.216 93 I CB 1.196 39.247 38.000 0.085 0.000 1.415 93 I HN 0.252 nan 8.210 nan 0.000 0.480 94 V N 5.269 125.152 119.914 -0.052 0.000 2.385 94 V HA 0.271 4.391 4.120 0.000 0.000 0.269 94 V C 0.604 176.583 176.094 -0.191 0.000 1.043 94 V CA -0.351 61.907 62.300 -0.070 0.000 0.906 94 V CB 1.041 32.956 31.823 0.153 0.000 0.995 94 V HN 0.792 nan 8.190 nan 0.000 0.467 95 T N 2.300 116.658 114.554 -0.326 0.000 2.829 95 T HA 0.861 5.211 4.350 0.000 0.000 0.280 95 T C -0.423 174.145 174.700 -0.221 0.000 0.999 95 T CA -0.542 61.358 62.100 -0.334 0.000 0.983 95 T CB 1.950 70.623 68.868 -0.326 0.000 0.968 95 T HN 0.953 nan 8.240 nan 0.000 0.446 96 A N 2.064 124.730 122.820 -0.257 0.000 2.393 96 A HA 0.863 5.183 4.320 0.000 0.000 0.306 96 A C 0.403 177.973 177.584 -0.024 0.000 1.050 96 A CA -0.730 51.260 52.037 -0.079 0.000 0.724 96 A CB 1.217 20.214 19.000 -0.004 0.000 1.248 96 A HN 1.337 nan 8.150 nan 0.000 0.424 97 G N 0.682 109.535 108.800 0.089 0.000 2.378 97 G HA2 0.458 4.418 3.960 0.000 0.000 0.255 97 G HA3 0.458 4.418 3.960 0.000 0.000 0.255 97 G C -0.105 174.855 174.900 0.101 0.000 1.270 97 G CA 0.044 45.246 45.100 0.170 0.000 0.876 97 G HN 0.838 nan 8.290 nan 0.000 0.521 98 Q N 0.679 120.547 119.800 0.113 0.000 2.204 98 Q HA 0.333 4.673 4.340 0.000 0.000 0.254 98 Q C 0.362 176.445 176.000 0.138 0.000 0.981 98 Q CA -0.636 55.202 55.803 0.058 0.000 0.897 98 Q CB 1.001 29.727 28.738 -0.020 0.000 1.273 98 Q HN 0.509 nan 8.270 nan 0.000 0.464 99 Q N 0.246 120.097 119.800 0.084 0.000 2.535 99 Q HA 0.090 4.430 4.340 0.000 0.000 0.228 99 Q C -0.556 175.350 176.000 -0.158 0.000 1.062 99 Q CA 0.236 56.102 55.803 0.105 0.000 0.967 99 Q CB 0.741 29.515 28.738 0.060 0.000 1.273 99 Q HN 0.834 nan 8.270 nan 0.000 0.554 100 T N 0.657 114.922 114.554 -0.482 0.000 2.916 100 T HA 0.036 4.386 4.350 0.000 0.000 0.303 100 T C 1.282 175.811 174.700 -0.284 0.000 1.025 100 T CA 0.062 61.757 62.100 -0.675 0.000 1.142 100 T CB 0.332 68.719 68.868 -0.802 0.000 0.947 100 T HN 0.507 nan 8.240 nan 0.000 0.544 101 R N 3.241 123.602 120.500 -0.232 0.000 2.154 101 R HA -0.170 4.170 4.340 0.000 0.000 0.248 101 R C 2.485 178.721 176.300 -0.106 0.000 1.155 101 R CA 1.558 57.572 56.100 -0.143 0.000 0.979 101 R CB -0.521 29.704 30.300 -0.125 0.000 0.869 101 R HN 0.757 nan 8.270 nan 0.000 0.452 102 A N 0.111 122.865 122.820 -0.109 0.000 2.121 102 A HA -0.037 4.283 4.320 0.000 0.000 0.218 102 A C 1.725 179.280 177.584 -0.048 0.000 1.154 102 A CA 0.990 52.987 52.037 -0.067 0.000 0.679 102 A CB -0.008 18.959 19.000 -0.055 0.000 0.795 102 A HN 0.195 nan 8.150 nan 0.000 0.458 103 M N -1.242 118.324 119.600 -0.056 0.000 2.347 103 M HA 0.313 4.794 4.480 0.000 0.000 0.324 103 M C 0.926 177.212 176.300 -0.024 0.000 1.028 103 M CA 0.118 55.403 55.300 -0.025 0.000 0.988 103 M CB 0.242 32.843 32.600 0.001 0.000 1.528 103 M HN 0.302 nan 8.290 nan 0.000 0.550 104 I N 0.244 120.789 120.570 -0.042 0.000 2.315 104 I HA -0.118 4.052 4.170 0.000 0.000 0.248 104 I C 2.465 178.565 176.117 -0.029 0.000 1.117 104 I CA 1.326 62.604 61.300 -0.038 0.000 1.404 104 I CB -0.514 37.452 38.000 -0.056 0.000 1.071 104 I HN 0.374 nan 8.210 nan 0.000 0.419 105 G N 1.257 110.040 108.800 -0.029 0.000 2.446 105 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 105 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 105 G C 1.621 176.512 174.900 -0.015 0.000 1.168 105 G CA 1.368 46.455 45.100 -0.023 0.000 0.771 105 G HN 0.385 nan 8.290 nan 0.000 0.551 106 V N -2.226 117.682 119.914 -0.010 0.000 3.380 106 V HA 0.239 4.359 4.120 0.000 0.000 0.268 106 V C 0.702 176.795 176.094 -0.002 0.000 1.168 106 V CA 0.955 63.253 62.300 -0.004 0.000 1.156 106 V CB -0.851 30.973 31.823 0.001 0.000 0.785 106 V HN 0.518 nan 8.190 nan 0.000 0.487 107 E N -0.016 120.182 120.200 -0.004 0.000 2.260 107 E HA -0.173 4.177 4.350 0.000 0.000 0.204 107 E C 0.544 177.149 176.600 0.010 0.000 1.319 107 E CA 0.188 56.588 56.400 -0.001 0.000 0.679 107 E CB -1.353 28.345 29.700 -0.004 0.000 1.158 107 E HN 0.997 nan 8.360 nan 0.000 0.376 108 A N 0.958 123.789 122.820 0.017 0.000 2.406 108 A HA 0.378 4.698 4.320 0.000 0.000 0.243 108 A C 0.424 178.031 177.584 0.038 0.000 1.082 108 A CA -0.327 51.728 52.037 0.031 0.000 0.786 108 A CB 0.437 19.464 19.000 0.044 0.000 1.029 108 A HN 0.374 nan 8.150 nan 0.000 0.495 109 L N 0.784 122.034 121.223 0.045 0.000 2.543 109 L HA 0.058 4.399 4.340 0.000 0.000 0.285 109 L C 0.832 177.742 176.870 0.066 0.000 1.236 109 L CA 1.432 56.302 54.840 0.050 0.000 0.871 109 L CB -0.327 41.765 42.059 0.055 0.000 1.121 109 L HN 0.742 nan 8.230 nan 0.000 0.501 110 L N 1.478 122.732 121.223 0.052 0.000 4.892 110 L HA -0.213 4.128 4.340 0.000 0.000 0.403 110 L C 0.283 177.160 176.870 0.012 0.000 0.913 110 L CA 0.457 55.318 54.840 0.036 0.000 1.653 110 L CB -2.416 39.708 42.059 0.107 0.000 1.780 110 L HN 0.761 nan 8.230 nan 0.000 0.597 111 T N 1.056 115.621 114.554 0.017 0.000 2.814 111 T HA 0.159 4.509 4.350 0.000 0.000 0.297 111 T C 0.603 175.295 174.700 -0.013 0.000 0.956 111 T CA -0.022 62.081 62.100 0.004 0.000 1.123 111 T CB 1.053 69.922 68.868 0.001 0.000 0.902 111 T HN 0.132 nan 8.240 nan 0.000 0.528 112 N N 3.982 122.671 118.700 -0.019 0.000 2.482 112 N HA 0.120 4.860 4.740 0.000 0.000 0.242 112 N C -0.486 175.012 175.510 -0.020 0.000 1.100 112 N CA -0.249 52.791 53.050 -0.017 0.000 0.946 112 N CB 0.223 38.710 38.487 0.000 0.000 1.227 112 N HN 0.282 nan 8.380 nan 0.000 0.508 113 V N 3.294 123.194 119.914 -0.022 0.000 2.572 113 V HA 0.003 4.123 4.120 0.000 0.000 0.291 113 V C 0.916 176.990 176.094 -0.033 0.000 1.039 113 V CA -0.175 62.108 62.300 -0.028 0.000 1.055 113 V CB 0.661 32.469 31.823 -0.025 0.000 0.969 113 V HN 0.731 nan 8.190 nan 0.000 0.482 114 D N 3.290 123.666 120.400 -0.040 0.000 2.737 114 D HA -0.269 4.371 4.640 0.000 0.000 0.233 114 D C 1.363 177.637 176.300 -0.044 0.000 1.155 114 D CA 1.002 54.974 54.000 -0.046 0.000 0.667 114 D CB -0.587 40.186 40.800 -0.044 0.000 1.060 114 D HN 0.838 nan 8.370 nan 0.000 0.427 115 A N 0.597 123.399 122.820 -0.029 0.000 1.893 115 A HA -0.176 4.144 4.320 0.000 0.000 0.222 115 A C 2.574 180.182 177.584 0.040 0.000 1.309 115 A CA 3.567 55.617 52.037 0.022 0.000 0.681 115 A CB -1.301 17.722 19.000 0.038 0.000 0.842 115 A HN 1.042 nan 8.150 nan 0.000 0.468 116 A N -0.843 121.978 122.820 0.002 0.000 2.032 116 A HA -0.227 4.093 4.320 0.000 0.000 0.221 116 A C 1.842 179.382 177.584 -0.073 0.000 1.165 116 A CA 1.967 53.997 52.037 -0.011 0.000 0.645 116 A CB -0.657 18.291 19.000 -0.087 0.000 0.807 116 A HN 0.620 nan 8.150 nan 0.000 0.453 117 N N -0.640 118.011 118.700 -0.082 0.000 2.457 117 N HA -0.045 4.695 4.740 0.000 0.000 0.180 117 N C 1.468 176.895 175.510 -0.138 0.000 1.050 117 N CA 0.800 53.791 53.050 -0.099 0.000 0.906 117 N CB -0.307 38.134 38.487 -0.075 0.000 0.968 117 N HN 0.436 nan 8.380 nan 0.000 0.445 118 L N 2.757 123.882 121.223 -0.165 0.000 1.970 118 L HA -0.060 4.280 4.340 0.000 0.000 0.212 118 L C -0.884 175.818 176.870 -0.279 0.000 1.071 118 L CA 2.109 56.825 54.840 -0.206 0.000 0.751 118 L CB -1.467 40.466 42.059 -0.209 0.000 0.889 118 L HN 0.106 nan 8.230 nan 0.000 0.432 119 P HA -0.098 nan 4.420 nan 0.000 0.233 119 P C 0.044 177.193 177.300 -0.252 0.000 1.167 119 P CA 0.489 63.355 63.100 -0.391 0.000 0.770 119 P CB -0.092 31.236 31.700 -0.619 0.000 0.837 120 R N 1.921 122.292 120.500 -0.215 0.000 2.643 120 R HA 0.127 4.467 4.340 0.000 0.000 0.270 120 R C -1.362 174.820 176.300 -0.198 0.000 1.061 120 R CA -0.875 55.114 56.100 -0.185 0.000 1.107 120 R CB -0.118 30.100 30.300 -0.138 0.000 0.999 120 R HN 0.130 nan 8.270 nan 0.000 0.460 121 P HA 0.101 nan 4.420 nan 0.000 0.248 121 P C -0.024 176.930 177.300 -0.576 0.000 1.708 121 P CA 0.281 63.178 63.100 -0.337 0.000 1.062 121 P CB 0.278 31.789 31.700 -0.314 0.000 1.562 122 L N 0.069 121.039 121.223 -0.423 0.000 2.653 122 L HA 0.181 4.521 4.340 0.000 0.000 0.232 122 L C 0.745 177.570 176.870 -0.075 0.000 1.169 122 L CA -0.247 54.337 54.840 -0.427 0.000 0.951 122 L CB 0.176 42.106 42.059 -0.215 0.000 1.181 122 L HN -0.079 nan 8.230 nan 0.000 0.460 123 V N -5.327 114.577 119.914 -0.018 0.000 2.925 123 V HA 0.368 4.488 4.120 0.000 0.000 0.311 123 V C 0.616 176.986 176.094 0.461 0.000 1.104 123 V CA -1.054 61.426 62.300 0.301 0.000 0.954 123 V CB 2.144 34.071 31.823 0.173 0.000 1.022 123 V HN 0.034 nan 8.190 nan 0.000 0.427 124 K N 0.955 121.682 120.400 0.545 0.000 2.148 124 K HA 0.075 4.395 4.320 0.000 0.000 0.204 124 K C -0.222 176.640 176.600 0.436 0.000 1.050 124 K CA 1.696 58.267 56.287 0.473 0.000 0.942 124 K CB 0.159 32.838 32.500 0.299 0.000 0.724 124 K HN 0.745 nan 8.250 nan 0.000 0.446 125 W N -0.061 121.341 121.300 0.171 0.000 3.425 125 W HA 0.310 4.970 4.660 0.000 0.000 0.318 125 W C -1.646 174.972 176.519 0.165 0.000 1.201 125 W CA -0.680 56.744 57.345 0.131 0.000 1.212 125 W CB 1.886 31.396 29.460 0.084 0.000 1.355 125 W HN -0.355 nan 8.180 nan 0.000 0.515 126 S N 5.174 120.628 115.700 -0.411 0.000 2.571 126 S HA 0.771 5.241 4.470 0.000 0.000 0.284 126 S C -2.061 172.188 174.600 -0.587 0.000 1.128 126 S CA -0.307 57.707 58.200 -0.310 0.000 0.970 126 S CB 0.789 63.945 63.200 -0.074 0.000 1.039 126 S HN 0.523 nan 8.310 nan 0.000 0.485 127 Y N 2.166 122.022 120.300 -0.739 0.000 2.624 127 Y HA 0.569 5.119 4.550 0.000 0.000 0.334 127 Y C -1.563 174.113 175.900 -0.373 0.000 1.155 127 Y CA -0.696 57.003 58.100 -0.667 0.000 1.046 127 Y CB 1.541 39.291 38.460 -1.182 0.000 1.316 127 Y HN 0.693 nan 8.280 nan 0.000 0.457 128 E N 5.137 124.769 120.200 -0.946 0.000 2.281 128 E HA 0.487 4.837 4.350 0.000 0.000 0.266 128 E C -2.961 173.100 176.600 -0.898 0.000 0.893 128 E CA -2.382 53.627 56.400 -0.651 0.000 0.798 128 E CB 1.964 31.425 29.700 -0.397 0.000 1.245 128 E HN 0.310 nan 8.360 nan 0.000 0.410 129 P HA 0.039 nan 4.420 nan 0.000 0.267 129 P C -0.274 176.917 177.300 -0.182 0.000 1.200 129 P CA 0.160 63.155 63.100 -0.175 0.000 0.772 129 P CB 0.995 32.688 31.700 -0.012 0.000 0.855 130 A N 1.475 124.253 122.820 -0.070 0.000 2.251 130 A HA 0.275 4.595 4.320 0.000 0.000 0.209 130 A C 0.539 178.098 177.584 -0.042 0.000 1.187 130 A CA 0.943 52.944 52.037 -0.059 0.000 0.823 130 A CB -0.515 18.482 19.000 -0.004 0.000 0.846 130 A HN 0.605 nan 8.150 nan 0.000 0.486 131 S N -3.909 111.769 115.700 -0.035 0.000 2.578 131 S HA 0.584 5.055 4.470 0.000 0.000 0.272 131 S C 0.604 175.173 174.600 -0.053 0.000 1.145 131 S CA -0.013 58.164 58.200 -0.038 0.000 0.835 131 S CB 0.933 64.128 63.200 -0.007 0.000 1.104 131 S HN 0.995 nan 8.310 nan 0.000 0.458 132 A N 1.652 124.430 122.820 -0.069 0.000 1.908 132 A HA 0.248 4.568 4.320 0.000 0.000 0.218 132 A C 2.291 179.845 177.584 -0.049 0.000 1.181 132 A CA 2.092 54.071 52.037 -0.097 0.000 0.627 132 A CB -1.567 17.384 19.000 -0.081 0.000 0.818 132 A HN 1.804 nan 8.150 nan 0.000 0.445 133 A N -0.804 122.013 122.820 -0.005 0.000 2.125 133 A HA -0.143 4.177 4.320 0.000 0.000 0.219 133 A C 1.919 179.533 177.584 0.050 0.000 1.156 133 A CA 1.594 53.647 52.037 0.027 0.000 0.671 133 A CB -0.411 18.607 19.000 0.031 0.000 0.794 133 A HN 0.672 nan 8.150 nan 0.000 0.459 134 E N -0.155 120.078 120.200 0.055 0.000 2.371 134 E HA -0.015 4.336 4.350 0.000 0.000 0.194 134 E C 1.607 178.282 176.600 0.125 0.000 1.012 134 E CA 0.583 57.056 56.400 0.122 0.000 0.860 134 E CB -0.019 29.770 29.700 0.148 0.000 0.811 134 E HN 0.369 nan 8.360 nan 0.000 0.502 135 V N 1.794 121.727 119.914 0.032 0.000 2.250 135 V HA -0.244 3.876 4.120 0.000 0.000 0.250 135 V C -0.697 175.451 176.094 0.090 0.000 1.060 135 V CA 2.320 64.614 62.300 -0.010 0.000 1.030 135 V CB -1.520 30.169 31.823 -0.224 0.000 0.643 135 V HN 0.285 nan 8.190 nan 0.000 0.445 136 P HA -0.200 nan 4.420 nan 0.000 0.216 136 P C 1.712 179.133 177.300 0.202 0.000 1.153 136 P CA 1.819 65.026 63.100 0.178 0.000 0.858 136 P CB -0.201 31.600 31.700 0.169 0.000 0.789 137 H N -0.549 118.565 119.070 0.075 0.000 2.321 137 H HA -0.094 4.463 4.556 0.000 0.000 0.300 137 H C 1.807 177.184 175.328 0.082 0.000 1.087 137 H CA 1.263 57.345 56.048 0.057 0.000 1.319 137 H CB -0.163 29.621 29.762 0.038 0.000 1.379 137 H HN -0.017 nan 8.280 nan 0.000 0.501 138 A N 0.967 123.827 122.820 0.067 0.000 1.940 138 A HA -0.214 4.106 4.320 0.000 0.000 0.219 138 A C 2.390 180.083 177.584 0.181 0.000 1.176 138 A CA 1.790 53.900 52.037 0.122 0.000 0.631 138 A CB -0.666 18.520 19.000 0.309 0.000 0.814 138 A HN 0.518 nan 8.150 nan 0.000 0.446 139 M N -0.206 119.497 119.600 0.172 0.000 2.117 139 M HA -0.077 4.403 4.480 0.000 0.000 0.262 139 M C 2.281 178.654 176.300 0.122 0.000 1.065 139 M CA 2.063 57.475 55.300 0.187 0.000 1.114 139 M CB -0.575 32.149 32.600 0.207 0.000 1.361 139 M HN 0.393 nan 8.290 nan 0.000 0.408 140 S N -0.168 115.594 115.700 0.103 0.000 2.359 140 S HA -0.175 4.295 4.470 0.000 0.000 0.224 140 S C 2.042 176.647 174.600 0.008 0.000 1.035 140 S CA 1.632 59.883 58.200 0.084 0.000 1.018 140 S CB -0.188 63.128 63.200 0.194 0.000 0.876 140 S HN 0.622 nan 8.310 nan 0.000 0.448 141 R N 0.778 121.201 120.500 -0.129 0.000 2.081 141 R HA -0.006 4.334 4.340 0.000 0.000 0.235 141 R C 2.706 178.764 176.300 -0.403 0.000 1.131 141 R CA 1.331 57.179 56.100 -0.420 0.000 0.960 141 R CB -0.694 29.062 30.300 -0.906 0.000 0.856 141 R HN 0.498 nan 8.270 nan 0.000 0.436 142 A N 1.554 124.312 122.820 -0.104 0.000 1.865 142 A HA -0.186 4.134 4.320 0.000 0.000 0.217 142 A C 2.205 179.818 177.584 0.047 0.000 1.191 142 A CA 1.462 53.599 52.037 0.167 0.000 0.623 142 A CB -0.646 18.549 19.000 0.324 0.000 0.826 142 A HN 0.197 nan 8.150 nan 0.000 0.444 143 I N -1.034 119.520 120.570 -0.026 0.000 2.151 143 I HA -0.311 3.859 4.170 0.000 0.000 0.243 143 I C 2.507 178.499 176.117 -0.208 0.000 1.080 143 I CA 1.652 62.876 61.300 -0.127 0.000 1.339 143 I CB -0.633 37.207 38.000 -0.266 0.000 1.039 143 I HN 0.432 nan 8.210 nan 0.000 0.409 144 H N -0.275 118.769 119.070 -0.042 0.000 2.395 144 H HA -0.015 4.541 4.556 0.000 0.000 0.299 144 H C 2.332 177.605 175.328 -0.091 0.000 1.070 144 H CA 1.069 57.071 56.048 -0.077 0.000 1.356 144 H CB -0.142 29.556 29.762 -0.106 0.000 1.401 144 H HN 0.256 nan 8.280 nan 0.000 0.524 145 M N 0.415 119.993 119.600 -0.037 0.000 2.213 145 M HA -0.048 4.432 4.480 0.000 0.000 0.263 145 M C 2.416 178.734 176.300 0.030 0.000 1.062 145 M CA 0.903 56.171 55.300 -0.053 0.000 1.105 145 M CB -0.864 31.656 32.600 -0.133 0.000 1.385 145 M HN 0.219 nan 8.290 nan 0.000 0.417 146 A N -1.124 121.726 122.820 0.051 0.000 1.970 146 A HA -0.020 4.301 4.320 0.000 0.000 0.216 146 A C 2.390 179.996 177.584 0.036 0.000 1.170 146 A CA 1.562 53.639 52.037 0.067 0.000 0.645 146 A CB -0.424 18.629 19.000 0.088 0.000 0.816 146 A HN 0.461 nan 8.150 nan 0.000 0.447 147 S N -0.386 115.328 115.700 0.024 0.000 2.446 147 S HA 0.181 4.651 4.470 0.000 0.000 0.225 147 S C 0.887 175.489 174.600 0.004 0.000 1.016 147 S CA 0.167 58.377 58.200 0.017 0.000 0.943 147 S CB -0.233 62.977 63.200 0.017 0.000 0.786 147 S HN 0.536 nan 8.310 nan 0.000 0.508 148 M N 1.773 121.375 119.600 0.003 0.000 2.243 148 M HA 0.286 4.766 4.480 0.000 0.000 0.341 148 M C 0.281 176.550 176.300 -0.052 0.000 1.130 148 M CA -0.382 54.906 55.300 -0.020 0.000 1.162 148 M CB 0.316 32.901 32.600 -0.024 0.000 1.497 148 M HN 0.138 nan 8.290 nan 0.000 0.456 149 A N 4.653 127.432 122.820 -0.068 0.000 2.440 149 A HA 0.432 4.752 4.320 0.000 0.000 0.251 149 A C -2.224 175.285 177.584 -0.125 0.000 1.089 149 A CA -1.131 50.835 52.037 -0.118 0.000 0.779 149 A CB -0.667 18.270 19.000 -0.105 0.000 1.022 149 A HN 0.528 nan 8.150 nan 0.000 0.492 150 P HA 0.171 nan 4.420 nan 0.000 0.287 150 P C -0.648 176.504 177.300 -0.246 0.000 1.281 150 P CA -0.248 62.644 63.100 -0.346 0.000 0.781 150 P CB 0.790 32.193 31.700 -0.496 0.000 0.903 151 Q N 1.214 120.896 119.800 -0.197 0.000 2.428 151 Q HA 0.480 4.820 4.340 0.000 0.000 0.276 151 Q C 0.707 176.692 176.000 -0.025 0.000 1.059 151 Q CA 0.446 56.209 55.803 -0.068 0.000 0.923 151 Q CB 0.379 29.105 28.738 -0.020 0.000 1.283 151 Q HN 0.738 nan 8.270 nan 0.000 0.447 152 G N 1.137 109.944 108.800 0.012 0.000 2.441 152 G HA2 0.337 4.298 3.960 0.000 0.000 0.294 152 G HA3 0.337 4.298 3.960 0.000 0.000 0.294 152 G C -3.078 171.887 174.900 0.108 0.000 1.393 152 G CA -0.881 44.234 45.100 0.025 0.000 0.796 152 G HN 0.393 nan 8.290 nan 0.000 0.494 153 P HA 0.470 nan 4.420 nan 0.000 0.279 153 P C -0.135 177.311 177.300 0.244 0.000 1.239 153 P CA -0.183 63.032 63.100 0.192 0.000 0.789 153 P CB 1.707 33.524 31.700 0.194 0.000 0.933 154 V N 0.898 120.951 119.914 0.232 0.000 3.001 154 V HA 0.619 4.739 4.120 0.000 0.000 0.314 154 V C -1.484 174.779 176.094 0.281 0.000 1.099 154 V CA -1.102 61.377 62.300 0.299 0.000 0.989 154 V CB 2.156 34.200 31.823 0.367 0.000 1.040 154 V HN 0.487 nan 8.190 nan 0.000 0.434 155 Y N 3.098 123.442 120.300 0.074 0.000 2.361 155 Y HA 0.825 5.376 4.550 0.000 0.000 0.337 155 Y C -1.187 174.665 175.900 -0.080 0.000 0.965 155 Y CA -1.207 56.881 58.100 -0.020 0.000 1.091 155 Y CB 2.009 40.435 38.460 -0.057 0.000 1.182 155 Y HN 0.897 nan 8.280 nan 0.000 0.450 156 L N 5.371 126.300 121.223 -0.490 0.000 2.376 156 L HA 0.611 4.951 4.340 0.000 0.000 0.275 156 L C -1.099 175.425 176.870 -0.576 0.000 0.987 156 L CA -0.193 54.416 54.840 -0.384 0.000 0.828 156 L CB 1.924 43.934 42.059 -0.082 0.000 1.249 156 L HN 0.562 nan 8.230 nan 0.000 0.409 157 S N 4.189 119.604 115.700 -0.474 0.000 2.442 157 S HA 0.836 5.306 4.470 0.000 0.000 0.297 157 S C -1.051 173.422 174.600 -0.213 0.000 1.131 157 S CA -0.453 57.535 58.200 -0.353 0.000 1.092 157 S CB 0.883 63.933 63.200 -0.250 0.000 0.998 157 S HN 0.466 nan 8.310 nan 0.000 0.478 158 V N 7.407 127.241 119.914 -0.133 0.000 2.483 158 V HA 0.428 4.548 4.120 0.000 0.000 0.297 158 V C -2.487 173.565 176.094 -0.071 0.000 1.027 158 V CA -2.085 60.128 62.300 -0.145 0.000 0.855 158 V CB 1.599 33.308 31.823 -0.190 0.000 0.995 158 V HN 0.711 nan 8.190 nan 0.000 0.424 159 P HA 0.012 nan 4.420 nan 0.000 0.264 159 P C 0.299 177.577 177.300 -0.037 0.000 1.193 159 P CA 0.063 63.102 63.100 -0.103 0.000 0.763 159 P CB 0.181 31.776 31.700 -0.175 0.000 0.810 160 Y N 2.820 123.182 120.300 0.104 0.000 2.483 160 Y HA -0.142 4.408 4.550 0.000 0.000 0.291 160 Y C 1.271 177.304 175.900 0.223 0.000 1.143 160 Y CA 1.139 59.396 58.100 0.262 0.000 1.289 160 Y CB -1.124 37.502 38.460 0.276 0.000 0.983 160 Y HN 0.288 nan 8.280 nan 0.000 0.556 161 D N -0.851 119.483 120.400 -0.110 0.000 2.340 161 D HA -0.092 4.548 4.640 0.000 0.000 0.220 161 D C 0.542 176.837 176.300 -0.010 0.000 1.039 161 D CA 0.460 54.446 54.000 -0.023 0.000 0.866 161 D CB -0.220 40.467 40.800 -0.189 0.000 0.913 161 D HN 0.353 nan 8.370 nan 0.000 0.523 162 D N 0.614 120.940 120.400 -0.124 0.000 2.162 162 D HA -0.060 4.580 4.640 0.000 0.000 0.203 162 D C 1.654 177.881 176.300 -0.122 0.000 0.967 162 D CA 0.590 54.460 54.000 -0.217 0.000 0.840 162 D CB -0.539 39.995 40.800 -0.443 0.000 0.972 162 D HN 0.368 nan 8.370 nan 0.000 0.482 163 W N 1.645 123.057 121.300 0.188 0.000 2.321 163 W HA -0.156 4.504 4.660 0.000 0.000 0.306 163 W C 1.750 178.402 176.519 0.222 0.000 1.217 163 W CA 0.700 58.200 57.345 0.258 0.000 1.257 163 W CB -0.247 29.433 29.460 0.367 0.000 1.145 163 W HN -0.072 nan 8.180 nan 0.000 0.509 164 D N -0.200 120.415 120.400 0.358 0.000 2.317 164 D HA -0.044 4.597 4.640 0.000 0.000 0.211 164 D C 0.973 177.368 176.300 0.160 0.000 0.966 164 D CA 0.825 54.963 54.000 0.230 0.000 0.876 164 D CB -0.254 40.653 40.800 0.178 0.000 0.927 164 D HN -0.037 nan 8.370 nan 0.000 0.519 165 K N 1.600 122.078 120.400 0.130 0.000 2.276 165 K HA 0.068 4.389 4.320 0.000 0.000 0.259 165 K C 0.159 176.819 176.600 0.099 0.000 1.001 165 K CA -0.226 56.112 56.287 0.084 0.000 0.927 165 K CB 0.492 33.016 32.500 0.040 0.000 0.969 165 K HN -0.022 nan 8.250 nan 0.000 0.490 166 D N 0.473 120.920 120.400 0.078 0.000 2.382 166 D HA 0.164 4.804 4.640 0.000 0.000 0.245 166 D C -0.086 176.265 176.300 0.085 0.000 1.120 166 D CA 0.136 54.187 54.000 0.084 0.000 0.890 166 D CB 0.882 41.722 40.800 0.065 0.000 1.201 166 D HN 0.450 nan 8.370 nan 0.000 0.433 167 A N 1.641 124.524 122.820 0.105 0.000 2.293 167 A HA 0.221 4.541 4.320 0.000 0.000 0.302 167 A C 0.078 177.710 177.584 0.080 0.000 1.119 167 A CA -0.650 51.448 52.037 0.103 0.000 0.823 167 A CB 0.718 19.805 19.000 0.145 0.000 1.097 167 A HN 0.457 nan 8.150 nan 0.000 0.491 168 D N 1.601 122.038 120.400 0.062 0.000 2.417 168 D HA 0.197 4.837 4.640 0.000 0.000 0.250 168 D C -1.611 174.720 176.300 0.051 0.000 1.166 168 D CA -1.555 52.472 54.000 0.045 0.000 0.881 168 D CB 1.041 41.856 40.800 0.024 0.000 1.164 168 D HN 0.108 nan 8.370 nan 0.000 0.467 169 P HA -0.148 nan 4.420 nan 0.000 0.217 169 P C 0.984 178.358 177.300 0.124 0.000 1.148 169 P CA 0.971 64.126 63.100 0.091 0.000 0.828 169 P CB 0.234 31.982 31.700 0.080 0.000 0.783 170 Q N -0.937 118.902 119.800 0.066 0.000 2.541 170 Q HA 0.006 4.346 4.340 0.000 0.000 0.215 170 Q C 1.880 177.791 176.000 -0.148 0.000 0.977 170 Q CA 0.811 56.626 55.803 0.020 0.000 0.934 170 Q CB -0.777 27.984 28.738 0.038 0.000 0.988 170 Q HN 0.282 nan 8.270 nan 0.000 0.521 171 S N 0.438 116.057 115.700 -0.135 0.000 2.447 171 S HA -0.131 4.339 4.470 0.000 0.000 0.233 171 S C 1.602 175.843 174.600 -0.597 0.000 1.006 171 S CA 0.897 58.954 58.200 -0.237 0.000 0.957 171 S CB -0.339 62.801 63.200 -0.099 0.000 0.773 171 S HN 0.631 nan 8.310 nan 0.000 0.507 172 H N 0.703 119.381 119.070 -0.654 0.000 2.457 172 H HA -0.101 4.455 4.556 0.000 0.000 0.297 172 H C 1.307 176.183 175.328 -0.754 0.000 1.092 172 H CA 1.493 56.882 56.048 -1.100 0.000 1.309 172 H CB -0.756 28.738 29.762 -0.447 0.000 1.382 172 H HN 0.487 nan 8.280 nan 0.000 0.535 173 H N 0.780 119.292 119.070 -0.929 0.000 2.543 173 H HA 0.011 4.567 4.556 0.000 0.000 0.286 173 H C 2.344 177.506 175.328 -0.277 0.000 1.037 173 H CA 0.930 56.661 56.048 -0.528 0.000 1.250 173 H CB 0.303 29.780 29.762 -0.475 0.000 1.373 173 H HN 0.423 nan 8.280 nan 0.000 0.580 174 L N -0.870 120.212 121.223 -0.234 0.000 2.202 174 L HA -0.070 4.271 4.340 0.000 0.000 0.205 174 L C 2.119 179.067 176.870 0.131 0.000 1.083 174 L CA 0.123 54.941 54.840 -0.036 0.000 0.790 174 L CB -0.413 41.637 42.059 -0.016 0.000 0.942 174 L HN 0.016 nan 8.230 nan 0.000 0.452 175 F N 1.023 121.035 119.950 0.104 0.000 2.048 175 F HA -0.321 4.207 4.527 0.000 0.000 0.296 175 F C 1.798 177.664 175.800 0.111 0.000 1.109 175 F CA 1.294 59.358 58.000 0.107 0.000 1.214 175 F CB -0.885 38.177 39.000 0.103 0.000 0.963 175 F HN 0.191 nan 8.300 nan 0.000 0.491 176 D N -0.237 120.349 120.400 0.310 0.000 2.463 176 D HA 0.068 4.708 4.640 0.000 0.000 0.224 176 D C 0.306 176.722 176.300 0.193 0.000 1.174 176 D CA -0.078 54.057 54.000 0.225 0.000 0.829 176 D CB -0.043 40.873 40.800 0.194 0.000 0.993 176 D HN 0.161 nan 8.370 nan 0.000 0.497 177 R N 1.113 121.725 120.500 0.186 0.000 2.522 177 R HA 0.051 4.391 4.340 0.000 0.000 0.284 177 R C 0.258 176.641 176.300 0.137 0.000 1.032 177 R CA 0.304 56.478 56.100 0.122 0.000 1.049 177 R CB 0.551 30.889 30.300 0.063 0.000 0.956 177 R HN 0.146 nan 8.270 nan 0.000 0.422 178 H N 3.275 122.354 119.070 0.015 0.000 2.646 178 H HA 0.262 4.818 4.556 0.000 0.000 0.328 178 H C -1.301 173.994 175.328 -0.054 0.000 0.998 178 H CA -0.591 55.471 56.048 0.024 0.000 1.225 178 H CB 1.013 30.796 29.762 0.035 0.000 1.457 178 H HN 0.214 nan 8.280 nan 0.000 0.505 179 V N 4.373 124.203 119.914 -0.141 0.000 2.398 179 V HA 0.279 4.399 4.120 0.000 0.000 0.286 179 V C 0.352 176.451 176.094 0.008 0.000 1.026 179 V CA -0.549 61.693 62.300 -0.096 0.000 0.868 179 V CB 1.467 33.126 31.823 -0.274 0.000 0.982 179 V HN 0.761 nan 8.190 nan 0.000 0.443 180 S N 2.698 118.448 115.700 0.083 0.000 2.513 180 S HA 0.621 5.091 4.470 0.000 0.000 0.299 180 S C 0.378 174.996 174.600 0.031 0.000 1.087 180 S CA 0.103 58.361 58.200 0.095 0.000 1.012 180 S CB 1.878 65.165 63.200 0.144 0.000 1.044 180 S HN 0.992 nan 8.310 nan 0.000 0.485 181 S N 1.809 117.521 115.700 0.021 0.000 3.009 181 S HA 0.202 4.672 4.470 0.000 0.000 0.254 181 S C 0.217 174.816 174.600 -0.002 0.000 1.004 181 S CA -0.317 57.881 58.200 -0.003 0.000 1.119 181 S CB 0.179 63.366 63.200 -0.021 0.000 1.075 181 S HN 0.548 nan 8.310 nan 0.000 0.618 182 S N 2.793 118.503 115.700 0.015 0.000 4.120 182 S HA 0.420 4.890 4.470 0.000 0.000 0.215 182 S C 0.304 174.906 174.600 0.004 0.000 1.347 182 S CA -0.200 58.007 58.200 0.012 0.000 0.889 182 S CB -1.282 61.934 63.200 0.028 0.000 1.585 182 S HN 0.729 nan 8.310 nan 0.000 0.447 183 V N 2.573 122.484 119.914 -0.005 0.000 3.019 183 V HA 0.998 5.118 4.120 0.000 0.000 0.317 183 V C -0.686 175.402 176.094 -0.010 0.000 1.094 183 V CA -1.370 60.925 62.300 -0.008 0.000 1.000 183 V CB 1.889 33.704 31.823 -0.012 0.000 1.060 183 V HN 0.723 nan 8.190 nan 0.000 0.443 184 R N 1.765 122.260 120.500 -0.009 0.000 2.739 184 R HA 0.732 5.072 4.340 0.000 0.000 0.271 184 R C -1.030 175.264 176.300 -0.009 0.000 1.010 184 R CA -0.969 55.126 56.100 -0.009 0.000 0.897 184 R CB 0.612 30.909 30.300 -0.005 0.000 1.236 184 R HN 0.859 nan 8.270 nan 0.000 0.466 185 L N 2.069 123.287 121.223 -0.009 0.000 2.573 185 L HA 0.092 4.432 4.340 0.000 0.000 0.290 185 L C -0.367 176.498 176.870 -0.007 0.000 1.247 185 L CA 0.651 55.486 54.840 -0.009 0.000 0.876 185 L CB -0.171 41.883 42.059 -0.009 0.000 1.123 185 L HN 0.936 nan 8.230 nan 0.000 0.505 186 N N 1.986 120.682 118.700 -0.008 0.000 2.344 186 N HA -0.033 4.707 4.740 0.000 0.000 0.236 186 N C 0.454 175.961 175.510 -0.005 0.000 1.279 186 N CA 0.104 53.150 53.050 -0.006 0.000 0.882 186 N CB 0.236 38.719 38.487 -0.007 0.000 1.110 186 N HN 0.602 nan 8.380 nan 0.000 0.436 187 D N -0.084 120.314 120.400 -0.004 0.000 2.127 187 D HA -0.285 4.355 4.640 0.000 0.000 0.190 187 D C 1.570 177.868 176.300 -0.002 0.000 1.000 187 D CA 1.634 55.632 54.000 -0.003 0.000 0.839 187 D CB -0.492 40.307 40.800 -0.003 0.000 0.955 187 D HN 0.830 nan 8.370 nan 0.000 0.446 188 Q N 0.332 120.131 119.800 -0.003 0.000 2.045 188 Q HA -0.202 4.138 4.340 0.000 0.000 0.206 188 Q C 1.339 177.338 176.000 -0.002 0.000 0.991 188 Q CA 1.895 57.697 55.803 -0.002 0.000 0.851 188 Q CB 0.030 28.766 28.738 -0.003 0.000 0.911 188 Q HN 0.156 nan 8.270 nan 0.000 0.418 189 D N 0.254 120.652 120.400 -0.004 0.000 2.178 189 D HA -0.126 4.514 4.640 0.000 0.000 0.202 189 D C 1.855 178.153 176.300 -0.003 0.000 0.974 189 D CA 0.512 54.509 54.000 -0.004 0.000 0.841 189 D CB -0.158 40.639 40.800 -0.006 0.000 0.953 189 D HN 0.230 nan 8.370 nan 0.000 0.478 190 L N 1.168 122.389 121.223 -0.003 0.000 2.056 190 L HA -0.126 4.214 4.340 0.000 0.000 0.207 190 L C 1.377 178.247 176.870 0.000 0.000 1.078 190 L CA 1.790 56.629 54.840 -0.002 0.000 0.749 190 L CB -0.465 41.594 42.059 -0.001 0.000 0.901 190 L HN -0.151 nan 8.230 nan 0.000 0.433 191 D N -0.311 120.089 120.400 0.001 0.000 2.144 191 D HA -0.183 4.457 4.640 0.000 0.000 0.199 191 D C 2.343 178.645 176.300 0.002 0.000 0.984 191 D CA 1.726 55.728 54.000 0.002 0.000 0.834 191 D CB -0.064 40.737 40.800 0.002 0.000 0.955 191 D HN 0.440 nan 8.370 nan 0.000 0.465 192 I N 0.556 121.126 120.570 0.001 0.000 2.208 192 I HA -0.251 3.919 4.170 0.000 0.000 0.245 192 I C 2.403 178.521 176.117 0.002 0.000 1.097 192 I CA 0.523 61.824 61.300 0.001 0.000 1.363 192 I CB -0.155 37.845 38.000 -0.000 0.000 1.051 192 I HN 0.022 nan 8.210 nan 0.000 0.413 193 L N 0.656 121.880 121.223 0.001 0.000 2.027 193 L HA -0.134 4.207 4.340 0.000 0.000 0.206 193 L C 2.428 179.301 176.870 0.005 0.000 1.074 193 L CA 1.783 56.624 54.840 0.002 0.000 0.745 193 L CB -0.584 41.475 42.059 -0.000 0.000 0.898 193 L HN -0.038 nan 8.230 nan 0.000 0.433 194 V N 0.043 119.960 119.914 0.006 0.000 2.332 194 V HA -0.339 3.781 4.120 0.000 0.000 0.248 194 V C 2.633 178.732 176.094 0.009 0.000 1.055 194 V CA 2.216 64.521 62.300 0.008 0.000 1.038 194 V CB -0.831 30.997 31.823 0.008 0.000 0.651 194 V HN 0.476 nan 8.190 nan 0.000 0.450 195 K N 0.151 120.556 120.400 0.008 0.000 2.097 195 K HA -0.126 4.195 4.320 0.000 0.000 0.206 195 K C 2.326 178.932 176.600 0.010 0.000 1.049 195 K CA 1.436 57.728 56.287 0.008 0.000 0.933 195 K CB -0.416 32.088 32.500 0.006 0.000 0.717 195 K HN 0.491 nan 8.250 nan 0.000 0.442 196 A N 1.469 124.295 122.820 0.009 0.000 1.902 196 A HA -0.130 4.191 4.320 0.000 0.000 0.217 196 A C 2.115 179.708 177.584 0.015 0.000 1.181 196 A CA 1.228 53.272 52.037 0.011 0.000 0.623 196 A CB -0.572 18.434 19.000 0.009 0.000 0.818 196 A HN 0.147 nan 8.150 nan 0.000 0.443 197 L N -0.464 120.768 121.223 0.015 0.000 2.056 197 L HA -0.170 4.170 4.340 0.000 0.000 0.207 197 L C 2.189 179.072 176.870 0.021 0.000 1.078 197 L CA 1.161 56.013 54.840 0.019 0.000 0.749 197 L CB -0.670 41.399 42.059 0.017 0.000 0.901 197 L HN 0.327 nan 8.230 nan 0.000 0.433 198 N N -0.323 118.387 118.700 0.018 0.000 2.289 198 N HA -0.128 4.612 4.740 0.000 0.000 0.184 198 N C 1.908 177.429 175.510 0.018 0.000 1.016 198 N CA 1.329 54.390 53.050 0.018 0.000 0.872 198 N CB -0.130 38.365 38.487 0.015 0.000 0.973 198 N HN 0.190 nan 8.380 nan 0.000 0.433 199 S N 0.070 115.781 115.700 0.017 0.000 2.501 199 S HA 0.217 4.687 4.470 0.000 0.000 0.220 199 S C 0.854 175.467 174.600 0.020 0.000 0.997 199 S CA -0.210 57.999 58.200 0.017 0.000 0.919 199 S CB 0.061 63.269 63.200 0.014 0.000 0.778 199 S HN 0.426 nan 8.310 nan 0.000 0.523 200 A N 2.246 125.081 122.820 0.026 0.000 2.566 200 A HA 0.240 4.561 4.320 0.000 0.000 0.245 200 A C 1.416 179.021 177.584 0.035 0.000 1.056 200 A CA 0.272 52.329 52.037 0.034 0.000 0.757 200 A CB 0.090 19.116 19.000 0.043 0.000 0.979 200 A HN 0.438 nan 8.150 nan 0.000 0.508 201 S N 1.539 117.259 115.700 0.032 0.000 2.425 201 S HA -0.021 4.449 4.470 0.000 0.000 0.225 201 S C 0.742 175.364 174.600 0.036 0.000 1.024 201 S CA 0.940 59.156 58.200 0.026 0.000 0.951 201 S CB -0.124 63.084 63.200 0.014 0.000 0.796 201 S HN 0.828 nan 8.310 nan 0.000 0.498 202 N N 1.959 120.693 118.700 0.057 0.000 2.697 202 N HA 0.355 5.095 4.740 0.000 0.000 0.253 202 N C -3.200 172.452 175.510 0.236 0.000 1.604 202 N CA -1.758 51.350 53.050 0.097 0.000 0.772 202 N CB 1.281 39.764 38.487 -0.007 0.000 1.267 202 N HN 0.133 nan 8.380 nan 0.000 0.510 203 P HA 0.319 nan 4.420 nan 0.000 0.272 203 P C -1.009 176.354 177.300 0.105 0.000 1.230 203 P CA -0.274 62.907 63.100 0.137 0.000 0.788 203 P CB 1.440 33.181 31.700 0.069 0.000 0.949 204 A N 2.306 125.107 122.820 -0.031 0.000 2.486 204 A HA 0.731 5.051 4.320 0.000 0.000 0.300 204 A C -0.821 176.721 177.584 -0.071 0.000 1.048 204 A CA -0.777 51.147 52.037 -0.188 0.000 0.696 204 A CB 1.121 19.799 19.000 -0.538 0.000 1.278 204 A HN 0.433 nan 8.150 nan 0.000 0.405 205 I N 1.607 122.144 120.570 -0.056 0.000 2.465 205 I HA 0.507 4.677 4.170 0.000 0.000 0.291 205 I C -0.953 175.160 176.117 -0.007 0.000 1.014 205 I CA -1.000 60.273 61.300 -0.046 0.000 1.093 205 I CB 2.155 40.092 38.000 -0.105 0.000 1.267 205 I HN 0.316 nan 8.210 nan 0.000 0.431 206 V N 7.068 126.989 119.914 0.012 0.000 2.444 206 V HA 0.465 4.585 4.120 0.000 0.000 0.294 206 V C -0.165 175.942 176.094 0.022 0.000 1.022 206 V CA -0.506 61.811 62.300 0.028 0.000 0.850 206 V CB 1.828 33.680 31.823 0.047 0.000 0.992 206 V HN 0.471 nan 8.190 nan 0.000 0.426 207 L N 4.037 125.263 121.223 0.006 0.000 2.325 207 L HA 0.873 5.213 4.340 0.000 0.000 0.278 207 L C 0.766 177.668 176.870 0.053 0.000 1.023 207 L CA -0.298 54.562 54.840 0.033 0.000 0.811 207 L CB 1.862 43.945 42.059 0.040 0.000 1.249 207 L HN 0.742 nan 8.230 nan 0.000 0.431 208 G N 0.827 109.668 108.800 0.068 0.000 2.667 208 G HA2 0.502 4.463 3.960 0.000 0.000 0.310 208 G HA3 0.502 4.463 3.960 0.000 0.000 0.310 208 G C -2.005 172.955 174.900 0.100 0.000 1.259 208 G CA -1.016 44.130 45.100 0.077 0.000 1.019 208 G HN 0.418 nan 8.290 nan 0.000 0.496 209 P HA -0.124 nan 4.420 nan 0.000 0.216 209 P C 0.664 178.039 177.300 0.125 0.000 1.150 209 P CA 1.173 64.351 63.100 0.131 0.000 0.837 209 P CB 0.249 32.025 31.700 0.127 0.000 0.786 210 D N -0.357 120.117 120.400 0.123 0.000 2.309 210 D HA -0.075 4.565 4.640 0.000 0.000 0.212 210 D C 2.028 178.374 176.300 0.076 0.000 0.968 210 D CA 0.660 54.724 54.000 0.106 0.000 0.882 210 D CB -0.264 40.592 40.800 0.092 0.000 0.918 210 D HN 0.094 nan 8.370 nan 0.000 0.503 211 V N 1.075 121.037 119.914 0.081 0.000 2.307 211 V HA -0.228 3.892 4.120 0.000 0.000 0.245 211 V C 2.203 178.342 176.094 0.075 0.000 1.045 211 V CA 1.824 64.168 62.300 0.074 0.000 1.024 211 V CB -0.346 31.531 31.823 0.091 0.000 0.651 211 V HN 0.068 nan 8.190 nan 0.000 0.449 212 D N 0.107 120.559 120.400 0.086 0.000 2.144 212 D HA -0.112 4.528 4.640 0.000 0.000 0.200 212 D C 2.101 178.448 176.300 0.078 0.000 0.978 212 D CA 1.375 55.420 54.000 0.075 0.000 0.833 212 D CB -0.118 40.724 40.800 0.071 0.000 0.961 212 D HN 0.356 nan 8.370 nan 0.000 0.470 213 A N 0.351 123.226 122.820 0.093 0.000 1.902 213 A HA 0.034 4.354 4.320 0.000 0.000 0.217 213 A C 2.242 179.862 177.584 0.060 0.000 1.181 213 A CA 1.953 54.045 52.037 0.092 0.000 0.623 213 A CB -0.827 18.232 19.000 0.099 0.000 0.818 213 A HN 0.305 nan 8.150 nan 0.000 0.443 214 A N -1.264 121.585 122.820 0.048 0.000 2.251 214 A HA 0.243 4.563 4.320 0.000 0.000 0.209 214 A C 0.928 178.531 177.584 0.031 0.000 1.187 214 A CA 0.838 52.894 52.037 0.032 0.000 0.823 214 A CB -0.642 18.372 19.000 0.024 0.000 0.846 214 A HN 0.834 nan 8.150 nan 0.000 0.486 215 N N -2.198 116.524 118.700 0.037 0.000 2.727 215 N HA -0.228 4.512 4.740 0.000 0.000 0.249 215 N C 0.414 175.938 175.510 0.024 0.000 1.048 215 N CA 1.016 54.083 53.050 0.028 0.000 0.714 215 N CB -1.346 37.153 38.487 0.021 0.000 0.959 215 N HN 0.549 nan 8.380 nan 0.000 0.544 216 A N -0.684 122.157 122.820 0.033 0.000 2.379 216 A HA 0.216 4.536 4.320 0.000 0.000 0.236 216 A C 1.632 179.242 177.584 0.043 0.000 1.272 216 A CA 0.423 52.481 52.037 0.035 0.000 0.886 216 A CB -0.078 18.945 19.000 0.040 0.000 0.962 216 A HN 0.535 nan 8.150 nan 0.000 0.504 217 N N 1.873 120.594 118.700 0.034 0.000 2.018 217 N HA -0.205 4.535 4.740 0.000 0.000 0.196 217 N C 1.906 177.404 175.510 -0.021 0.000 1.043 217 N CA 2.023 55.087 53.050 0.023 0.000 0.856 217 N CB -0.521 37.954 38.487 -0.021 0.000 1.042 217 N HN 0.446 nan 8.380 nan 0.000 0.423 218 A N 1.235 124.032 122.820 -0.038 0.000 1.873 218 A HA -0.221 4.099 4.320 0.000 0.000 0.218 218 A C 1.781 179.357 177.584 -0.013 0.000 1.193 218 A CA 2.058 54.066 52.037 -0.049 0.000 0.629 218 A CB -0.836 18.145 19.000 -0.032 0.000 0.826 218 A HN 0.205 nan 8.150 nan 0.000 0.447 219 D N -0.660 119.748 120.400 0.013 0.000 2.149 219 D HA -0.129 4.511 4.640 0.000 0.000 0.198 219 D C 2.002 178.337 176.300 0.058 0.000 0.990 219 D CA 1.388 55.406 54.000 0.030 0.000 0.839 219 D CB -0.554 40.263 40.800 0.028 0.000 0.948 219 D HN 0.465 nan 8.370 nan 0.000 0.460 220 C N 0.054 119.409 119.300 0.091 0.000 2.440 220 C HA -0.035 4.425 4.460 0.000 0.000 0.278 220 C C 2.912 178.066 174.990 0.273 0.000 1.295 220 C CA -0.011 59.108 59.018 0.168 0.000 1.738 220 C CB -0.698 27.179 27.740 0.228 0.000 1.987 220 C HN 0.169 nan 8.230 nan 0.000 0.492 221 V N 1.014 121.028 119.914 0.165 0.000 2.295 221 V HA -0.314 3.806 4.120 0.000 0.000 0.246 221 V C 2.385 178.527 176.094 0.079 0.000 1.049 221 V CA 2.455 64.765 62.300 0.016 0.000 1.024 221 V CB -0.679 30.975 31.823 -0.281 0.000 0.648 221 V HN 0.625 nan 8.190 nan 0.000 0.447 222 M N -0.278 119.357 119.600 0.058 0.000 2.065 222 M HA -0.203 4.277 4.480 0.000 0.000 0.259 222 M C 2.073 178.416 176.300 0.071 0.000 1.069 222 M CA 2.158 57.495 55.300 0.061 0.000 1.110 222 M CB -0.435 32.189 32.600 0.040 0.000 1.328 222 M HN 0.290 nan 8.290 nan 0.000 0.405 223 L N 0.879 122.143 121.223 0.068 0.000 2.043 223 L HA -0.154 4.186 4.340 0.000 0.000 0.212 223 L C 2.436 179.341 176.870 0.057 0.000 1.075 223 L CA 2.430 57.303 54.840 0.056 0.000 0.752 223 L CB -1.177 40.911 42.059 0.049 0.000 0.891 223 L HN 0.437 nan 8.230 nan 0.000 0.432 224 A N -1.012 121.854 122.820 0.076 0.000 1.933 224 A HA -0.203 4.117 4.320 0.000 0.000 0.218 224 A C 2.139 179.776 177.584 0.089 0.000 1.175 224 A CA 1.738 53.806 52.037 0.052 0.000 0.628 224 A CB -0.575 18.448 19.000 0.037 0.000 0.814 224 A HN 0.647 nan 8.150 nan 0.000 0.444 225 E N -0.534 119.741 120.200 0.125 0.000 2.107 225 E HA -0.143 4.207 4.350 0.000 0.000 0.191 225 E C 2.276 178.928 176.600 0.087 0.000 0.982 225 E CA 0.710 57.194 56.400 0.140 0.000 0.809 225 E CB -0.143 29.656 29.700 0.164 0.000 0.756 225 E HN 0.413 nan 8.360 nan 0.000 0.459 226 R N 0.761 121.302 120.500 0.068 0.000 2.073 226 R HA -0.074 4.266 4.340 0.000 0.000 0.234 226 R C 2.343 178.670 176.300 0.045 0.000 1.134 226 R CA 0.963 57.092 56.100 0.049 0.000 0.952 226 R CB -0.765 29.560 30.300 0.041 0.000 0.850 226 R HN 0.249 nan 8.270 nan 0.000 0.433 227 L N 1.471 122.721 121.223 0.044 0.000 2.552 227 L HA 0.036 4.376 4.340 0.000 0.000 0.227 227 L C 0.145 177.042 176.870 0.045 0.000 1.146 227 L CA 0.158 55.022 54.840 0.039 0.000 0.858 227 L CB -0.223 41.855 42.059 0.032 0.000 0.969 227 L HN 0.060 nan 8.230 nan 0.000 0.451 228 K N -0.138 120.295 120.400 0.054 0.000 3.148 228 K HA -0.183 4.137 4.320 0.000 0.000 0.267 228 K C -0.012 176.620 176.600 0.053 0.000 0.996 228 K CA 0.877 57.200 56.287 0.060 0.000 0.737 228 K CB -1.891 30.640 32.500 0.050 0.000 1.308 228 K HN 0.368 nan 8.250 nan 0.000 0.470 229 A N 0.907 123.749 122.820 0.037 0.000 2.337 229 A HA 0.737 5.058 4.320 0.000 0.000 0.331 229 A C -2.222 175.332 177.584 -0.050 0.000 1.137 229 A CA -1.472 50.572 52.037 0.012 0.000 0.807 229 A CB 1.226 20.226 19.000 -0.000 0.000 1.250 229 A HN -0.009 nan 8.150 nan 0.000 0.468 230 P HA 0.348 nan 4.420 nan 0.000 0.275 230 P C -0.834 176.251 177.300 -0.358 0.000 1.228 230 P CA -0.034 62.921 63.100 -0.242 0.000 0.786 230 P CB 1.141 32.699 31.700 -0.237 0.000 0.927 231 V N 2.868 122.449 119.914 -0.554 0.000 2.487 231 V HA 0.377 4.497 4.120 0.000 0.000 0.298 231 V C -0.582 175.099 176.094 -0.689 0.000 1.028 231 V CA -0.281 61.673 62.300 -0.577 0.000 0.860 231 V CB 1.294 32.556 31.823 -0.936 0.000 0.991 231 V HN 0.593 nan 8.190 nan 0.000 0.427 232 W N 2.536 123.601 121.300 -0.391 0.000 2.719 232 W HA 0.755 5.416 4.660 0.000 0.000 0.352 232 W C -0.559 175.779 176.519 -0.302 0.000 1.085 232 W CA -0.903 56.186 57.345 -0.426 0.000 1.187 232 W CB 1.556 30.779 29.460 -0.395 0.000 1.417 232 W HN 0.278 nan 8.180 nan 0.000 0.557 233 V N 2.873 122.743 119.914 -0.072 0.000 2.439 233 V HA 0.584 4.704 4.120 0.000 0.000 0.282 233 V C 0.550 176.530 176.094 -0.190 0.000 1.039 233 V CA -1.249 60.982 62.300 -0.114 0.000 0.913 233 V CB 0.479 32.127 31.823 -0.293 0.000 0.983 233 V HN 0.689 nan 8.190 nan 0.000 0.460 234 A N 8.443 131.188 122.820 -0.124 0.000 2.520 234 A HA 0.374 4.694 4.320 0.000 0.000 0.235 234 A C -1.805 175.657 177.584 -0.203 0.000 1.065 234 A CA -0.683 51.259 52.037 -0.158 0.000 0.764 234 A CB -0.415 18.576 19.000 -0.015 0.000 1.002 234 A HN 0.706 nan 8.150 nan 0.000 0.502 235 P HA 0.030 nan 4.420 nan 0.000 0.267 235 P C 0.026 177.265 177.300 -0.102 0.000 1.201 235 P CA 0.721 63.701 63.100 -0.199 0.000 0.775 235 P CB 0.477 32.065 31.700 -0.185 0.000 0.854 236 S N -1.408 114.241 115.700 -0.085 0.000 3.587 236 S HA -0.179 4.291 4.470 0.000 0.000 0.337 236 S C 0.665 175.307 174.600 0.069 0.000 1.119 236 S CA 0.702 58.907 58.200 0.008 0.000 0.976 236 S CB -2.206 61.045 63.200 0.086 0.000 0.922 236 S HN 0.974 nan 8.310 nan 0.000 0.503 237 A N 0.768 123.588 122.820 0.001 0.000 2.563 237 A HA 0.313 4.633 4.320 0.000 0.000 0.256 237 A C -0.599 177.241 177.584 0.428 0.000 1.056 237 A CA -0.204 51.929 52.037 0.160 0.000 0.775 237 A CB 0.072 19.122 19.000 0.083 0.000 0.973 237 A HN 0.320 nan 8.150 nan 0.000 0.516 238 P HA 0.069 nan 4.420 nan 0.000 0.230 238 P C 0.202 177.728 177.300 0.378 0.000 1.168 238 P CA 0.803 64.128 63.100 0.374 0.000 0.793 238 P CB 0.359 32.167 31.700 0.180 0.000 0.851 239 R N -2.687 118.047 120.500 0.389 0.000 2.781 239 R HA 0.546 4.886 4.340 0.000 0.000 0.269 239 R C -1.447 175.100 176.300 0.412 0.000 1.025 239 R CA -0.805 55.468 56.100 0.289 0.000 0.914 239 R CB 1.074 31.434 30.300 0.101 0.000 1.236 239 R HN -0.150 nan 8.270 nan 0.000 0.465 240 C N 2.939 122.399 119.300 0.266 0.000 2.264 240 C HA 0.526 4.986 4.460 0.000 0.000 0.324 240 C C -1.684 173.404 174.990 0.163 0.000 1.267 240 C CA -1.885 57.304 59.018 0.285 0.000 1.618 240 C CB 0.694 28.449 27.740 0.025 0.000 2.278 240 C HN 0.632 nan 8.230 nan 0.000 0.499 241 P HA 0.221 nan 4.420 nan 0.000 0.268 241 P C -0.331 177.113 177.300 0.241 0.000 1.329 241 P CA 0.236 63.441 63.100 0.175 0.000 0.899 241 P CB 0.130 31.935 31.700 0.175 0.000 1.378 242 F N 1.739 121.656 119.950 -0.054 0.000 2.665 242 F HA 0.446 4.973 4.527 0.000 0.000 0.308 242 F C -2.611 173.009 175.800 -0.299 0.000 1.112 242 F CA -2.304 55.610 58.000 -0.143 0.000 0.972 242 F CB 2.140 41.090 39.000 -0.084 0.000 1.295 242 F HN -0.334 nan 8.300 nan 0.000 0.440 243 P HA 0.071 nan 4.420 nan 0.000 0.270 243 P C 0.479 177.525 177.300 -0.423 0.000 1.242 243 P CA 0.164 63.039 63.100 -0.373 0.000 0.768 243 P CB 0.744 32.247 31.700 -0.329 0.000 0.820 244 T N 0.930 115.165 114.554 -0.531 0.000 3.077 244 T HA -0.066 4.284 4.350 0.000 0.000 0.269 244 T C 1.144 175.780 174.700 -0.107 0.000 1.146 244 T CA 0.711 62.376 62.100 -0.725 0.000 1.091 244 T CB -0.349 68.307 68.868 -0.353 0.000 0.892 244 T HN 0.237 nan 8.240 nan 0.000 0.533 245 R N 0.222 120.698 120.500 -0.040 0.000 2.508 245 R HA 0.206 4.546 4.340 0.000 0.000 0.300 245 R C 0.292 176.649 176.300 0.095 0.000 0.970 245 R CA -0.344 55.791 56.100 0.059 0.000 1.102 245 R CB -0.334 29.968 30.300 0.004 0.000 1.246 245 R HN 0.599 nan 8.270 nan 0.000 0.539 246 H N 3.435 122.526 119.070 0.034 0.000 2.815 246 H HA 0.060 4.616 4.556 0.000 0.000 0.350 246 H C -1.375 174.040 175.328 0.145 0.000 1.080 246 H CA -1.196 54.888 56.048 0.060 0.000 1.433 246 H CB 1.584 31.364 29.762 0.030 0.000 1.432 246 H HN -0.127 nan 8.280 nan 0.000 0.592 247 P HA -0.181 nan 4.420 nan 0.000 0.217 247 P C 1.403 178.838 177.300 0.224 0.000 1.148 247 P CA 1.277 64.402 63.100 0.042 0.000 0.834 247 P CB -0.072 31.565 31.700 -0.105 0.000 0.783 248 C N -2.228 117.420 119.300 0.580 0.000 2.467 248 C HA 0.110 4.570 4.460 0.000 0.000 0.279 248 C C 1.513 176.546 174.990 0.073 0.000 1.347 248 C CA -0.614 58.571 59.018 0.278 0.000 1.748 248 C CB -1.917 25.966 27.740 0.237 0.000 1.977 248 C HN 0.109 nan 8.230 nan 0.000 0.501 249 F N 2.290 122.291 119.950 0.085 0.000 2.623 249 F HA 0.075 4.602 4.527 0.000 0.000 0.383 249 F C 1.294 176.911 175.800 -0.305 0.000 1.077 249 F CA 0.559 58.496 58.000 -0.106 0.000 1.268 249 F CB 0.445 39.523 39.000 0.130 0.000 1.053 249 F HN 0.053 nan 8.300 nan 0.000 0.571 250 R N 3.831 123.560 120.500 -1.285 0.000 2.565 250 R HA 0.304 4.644 4.340 0.000 0.000 0.347 250 R C 0.638 176.145 176.300 -1.322 0.000 1.010 250 R CA 0.354 55.622 56.100 -1.386 0.000 1.126 250 R CB -0.005 28.964 30.300 -2.218 0.000 1.331 250 R HN 0.973 nan 8.270 nan 0.000 0.552 251 G N 1.329 109.001 108.800 -1.879 0.000 2.698 251 G HA2 -0.282 3.678 3.960 0.000 0.000 0.225 251 G HA3 -0.282 3.678 3.960 0.000 0.000 0.225 251 G C -0.909 173.617 174.900 -0.624 0.000 1.345 251 G CA -0.476 43.979 45.100 -1.076 0.000 0.871 251 G HN 0.200 nan 8.290 nan 0.000 0.540 252 L N 0.738 121.665 121.223 -0.495 0.000 2.319 252 L HA 0.700 5.040 4.340 0.000 0.000 0.280 252 L C 1.069 177.744 176.870 -0.326 0.000 1.099 252 L CA -0.226 54.242 54.840 -0.621 0.000 0.828 252 L CB 0.573 41.995 42.059 -1.061 0.000 1.150 252 L HN 0.607 nan 8.230 nan 0.000 0.442 253 M N 7.772 127.195 119.600 -0.295 0.000 2.228 253 M HA 0.281 4.761 4.480 0.000 0.000 0.351 253 M C -1.997 174.140 176.300 -0.272 0.000 1.233 253 M CA -1.529 53.588 55.300 -0.305 0.000 1.129 253 M CB 0.496 32.825 32.600 -0.451 0.000 1.604 253 M HN 0.490 nan 8.290 nan 0.000 0.457 254 P HA 0.099 nan 4.420 nan 0.000 0.271 254 P C -0.717 176.523 177.300 -0.100 0.000 1.216 254 P CA -0.216 62.799 63.100 -0.142 0.000 0.776 254 P CB 0.567 32.202 31.700 -0.109 0.000 0.881 255 A N 2.918 125.722 122.820 -0.027 0.000 2.900 255 A HA 0.429 4.749 4.320 0.000 0.000 0.246 255 A C 0.920 178.625 177.584 0.202 0.000 1.725 255 A CA 0.112 52.208 52.037 0.098 0.000 1.400 255 A CB -1.428 17.668 19.000 0.160 0.000 0.973 255 A HN 0.639 nan 8.150 nan 0.000 0.635 256 G N -0.777 108.108 108.800 0.141 0.000 2.566 256 G HA2 0.489 4.450 3.960 0.000 0.000 0.311 256 G HA3 0.489 4.450 3.960 0.000 0.000 0.311 256 G C 0.644 175.519 174.900 -0.041 0.000 1.322 256 G CA -0.640 44.477 45.100 0.029 0.000 0.969 256 G HN 0.181 nan 8.290 nan 0.000 0.490 257 I N 1.624 121.948 120.570 -0.410 0.000 2.099 257 I HA -0.254 3.916 4.170 0.000 0.000 0.239 257 I C 3.085 179.087 176.117 -0.191 0.000 1.066 257 I CA 1.854 62.861 61.300 -0.488 0.000 1.324 257 I CB -0.134 37.458 38.000 -0.679 0.000 1.037 257 I HN 0.560 nan 8.210 nan 0.000 0.401 258 A N 0.739 123.424 122.820 -0.225 0.000 1.858 258 A HA -0.197 4.123 4.320 0.000 0.000 0.216 258 A C 2.561 180.069 177.584 -0.127 0.000 1.190 258 A CA 2.012 53.949 52.037 -0.167 0.000 0.617 258 A CB -1.042 17.851 19.000 -0.178 0.000 0.827 258 A HN 0.456 nan 8.150 nan 0.000 0.443 259 A N -0.163 122.582 122.820 -0.126 0.000 1.917 259 A HA -0.177 4.143 4.320 0.000 0.000 0.219 259 A C 2.148 179.625 177.584 -0.179 0.000 1.182 259 A CA 1.810 53.769 52.037 -0.131 0.000 0.633 259 A CB -0.645 18.285 19.000 -0.117 0.000 0.819 259 A HN 0.535 nan 8.150 nan 0.000 0.448 260 I N 0.321 120.793 120.570 -0.164 0.000 2.353 260 I HA -0.196 3.975 4.170 0.000 0.000 0.248 260 I C 2.804 178.807 176.117 -0.190 0.000 1.119 260 I CA 1.422 62.569 61.300 -0.255 0.000 1.417 260 I CB -0.265 37.586 38.000 -0.247 0.000 1.078 260 I HN 0.520 nan 8.210 nan 0.000 0.421 261 S N 0.162 115.819 115.700 -0.072 0.000 2.423 261 S HA -0.240 4.230 4.470 0.000 0.000 0.231 261 S C 1.899 176.458 174.600 -0.067 0.000 1.014 261 S CA 0.952 59.134 58.200 -0.029 0.000 0.965 261 S CB -0.298 62.903 63.200 0.002 0.000 0.785 261 S HN 0.341 nan 8.310 nan 0.000 0.495 262 Q N 1.110 120.850 119.800 -0.100 0.000 2.046 262 Q HA 0.098 4.438 4.340 0.000 0.000 0.200 262 Q C 1.972 177.907 176.000 -0.109 0.000 0.975 262 Q CA 1.222 56.971 55.803 -0.091 0.000 0.836 262 Q CB -0.821 27.860 28.738 -0.095 0.000 0.896 262 Q HN 0.457 nan 8.270 nan 0.000 0.428 263 L N -0.156 120.942 121.223 -0.208 0.000 2.042 263 L HA -0.133 4.207 4.340 0.000 0.000 0.210 263 L C 2.020 178.774 176.870 -0.193 0.000 1.076 263 L CA 1.646 56.297 54.840 -0.315 0.000 0.749 263 L CB -0.600 41.017 42.059 -0.737 0.000 0.893 263 L HN 0.314 nan 8.230 nan 0.000 0.432 264 L N -1.063 120.052 121.223 -0.179 0.000 2.552 264 L HA -0.027 4.313 4.340 0.000 0.000 0.227 264 L C 1.023 177.970 176.870 0.129 0.000 1.146 264 L CA -0.165 54.668 54.840 -0.011 0.000 0.858 264 L CB -0.408 41.612 42.059 -0.066 0.000 0.969 264 L HN 0.265 nan 8.230 nan 0.000 0.451 265 E N 0.531 120.757 120.200 0.043 0.000 2.452 265 E HA 0.097 4.447 4.350 0.000 0.000 0.261 265 E C 1.129 177.721 176.600 -0.014 0.000 0.987 265 E CA 0.847 57.258 56.400 0.018 0.000 0.926 265 E CB 0.383 30.075 29.700 -0.012 0.000 0.934 265 E HN 0.301 nan 8.360 nan 0.000 0.452 266 G N 4.086 112.856 108.800 -0.049 0.000 2.234 266 G HA2 -0.221 3.739 3.960 0.000 0.000 0.235 266 G HA3 -0.221 3.739 3.960 0.000 0.000 0.235 266 G C -0.108 174.653 174.900 -0.231 0.000 0.997 266 G CA 0.060 45.072 45.100 -0.147 0.000 0.623 266 G HN 0.711 nan 8.290 nan 0.000 0.514 267 H N 1.835 120.914 119.070 0.015 0.000 2.594 267 H HA 0.259 4.816 4.556 0.000 0.000 0.304 267 H C 1.196 176.534 175.328 0.018 0.000 1.068 267 H CA 0.253 56.315 56.048 0.023 0.000 1.308 267 H CB 1.437 31.219 29.762 0.033 0.000 1.409 267 H HN 0.471 nan 8.280 nan 0.000 0.460 268 D N 2.445 122.904 120.400 0.099 0.000 2.144 268 D HA -0.086 4.554 4.640 0.000 0.000 0.200 268 D C 0.477 176.819 176.300 0.070 0.000 0.978 268 D CA 0.587 54.625 54.000 0.064 0.000 0.833 268 D CB 0.371 41.195 40.800 0.040 0.000 0.961 268 D HN 0.110 nan 8.370 nan 0.000 0.470 269 V N 1.140 121.106 119.914 0.087 0.000 2.525 269 V HA 0.292 4.412 4.120 0.000 0.000 0.299 269 V C -0.502 175.630 176.094 0.062 0.000 1.034 269 V CA -0.977 61.361 62.300 0.062 0.000 0.863 269 V CB 2.478 34.328 31.823 0.045 0.000 0.999 269 V HN -0.070 nan 8.190 nan 0.000 0.423 270 V N 6.115 126.057 119.914 0.047 0.000 2.357 270 V HA 0.445 4.566 4.120 0.000 0.000 0.284 270 V C -0.380 175.728 176.094 0.024 0.000 1.018 270 V CA -0.557 61.761 62.300 0.030 0.000 0.841 270 V CB 1.605 33.455 31.823 0.045 0.000 0.991 270 V HN 0.659 nan 8.190 nan 0.000 0.437 271 L N 7.524 128.756 121.223 0.014 0.000 2.265 271 L HA 0.611 4.951 4.340 0.000 0.000 0.289 271 L C -0.337 176.544 176.870 0.018 0.000 1.033 271 L CA 0.225 55.071 54.840 0.010 0.000 0.814 271 L CB 1.413 43.475 42.059 0.005 0.000 1.203 271 L HN 0.436 nan 8.230 nan 0.000 0.423 272 V N 6.919 126.845 119.914 0.021 0.000 2.394 272 V HA 0.497 4.617 4.120 0.000 0.000 0.282 272 V C 0.160 176.264 176.094 0.017 0.000 1.031 272 V CA -0.412 61.912 62.300 0.040 0.000 0.881 272 V CB 1.401 33.254 31.823 0.051 0.000 0.982 272 V HN 0.603 nan 8.190 nan 0.000 0.451 273 I N 3.177 123.763 120.570 0.026 0.000 2.498 273 I HA 0.581 4.751 4.170 0.000 0.000 0.290 273 I C 1.022 177.159 176.117 0.034 0.000 1.032 273 I CA -0.605 60.708 61.300 0.022 0.000 1.073 273 I CB 1.850 39.864 38.000 0.023 0.000 1.251 273 I HN 0.823 nan 8.210 nan 0.000 0.426 274 G N 4.515 113.331 108.800 0.026 0.000 2.323 274 G HA2 -0.024 3.937 3.960 0.000 0.000 0.292 274 G HA3 -0.024 3.937 3.960 0.000 0.000 0.292 274 G C -0.053 174.884 174.900 0.062 0.000 1.040 274 G CA 0.467 45.591 45.100 0.041 0.000 0.942 274 G HN 1.090 nan 8.290 nan 0.000 0.506 275 A N -0.891 121.958 122.820 0.049 0.000 2.594 275 A HA 0.920 5.240 4.320 0.000 0.000 0.295 275 A C -2.931 174.664 177.584 0.018 0.000 1.071 275 A CA -1.326 50.744 52.037 0.054 0.000 0.685 275 A CB 1.747 20.793 19.000 0.077 0.000 1.285 275 A HN 0.100 nan 8.150 nan 0.000 0.405 276 P HA 0.399 nan 4.420 nan 0.000 0.277 276 P C -0.753 176.469 177.300 -0.129 0.000 1.240 276 P CA -0.246 62.823 63.100 -0.052 0.000 0.798 276 P CB 1.006 32.683 31.700 -0.038 0.000 0.979 277 V N 3.790 123.517 119.914 -0.311 0.000 2.259 277 V HA 0.393 4.513 4.120 0.000 0.000 0.267 277 V C -0.441 175.296 176.094 -0.595 0.000 1.051 277 V CA 0.058 61.888 62.300 -0.784 0.000 0.830 277 V CB -1.193 30.133 31.823 -0.828 0.000 1.080 277 V HN 0.460 nan 8.190 nan 0.000 0.467 278 F N 1.978 121.660 119.950 -0.445 0.000 2.599 278 F HA 0.562 5.089 4.527 0.000 0.000 0.311 278 F C 0.468 175.888 175.800 -0.634 0.000 1.076 278 F CA -1.313 56.335 58.000 -0.587 0.000 0.937 278 F CB 2.183 40.668 39.000 -0.858 0.000 1.282 278 F HN 0.150 nan 8.300 nan 0.000 0.460 279 R N 2.399 122.807 120.500 -0.153 0.000 3.247 279 R HA 0.191 4.531 4.340 0.000 0.000 0.212 279 R C -1.275 174.987 176.300 -0.063 0.000 1.604 279 R CA 0.028 56.073 56.100 -0.091 0.000 1.279 279 R CB -1.126 29.159 30.300 -0.024 0.000 1.277 279 R HN 0.432 nan 8.270 nan 0.000 0.669 280 Y N 0.606 120.983 120.300 0.128 0.000 2.335 280 Y HA 0.011 4.561 4.550 0.000 0.000 0.348 280 Y C 1.559 177.542 175.900 0.138 0.000 1.280 280 Y CA 0.182 58.356 58.100 0.123 0.000 1.504 280 Y CB 0.458 39.006 38.460 0.147 0.000 1.366 280 Y HN 0.489 nan 8.280 nan 0.000 0.621 281 H N -0.317 118.882 119.070 0.215 0.000 3.539 281 H HA 0.072 4.628 4.556 0.000 0.000 0.134 281 H C -0.091 175.283 175.328 0.076 0.000 1.139 281 H CA 0.404 56.517 56.048 0.108 0.000 1.031 281 H CB -0.028 29.769 29.762 0.057 0.000 1.174 281 H HN 0.675 nan 8.280 nan 0.000 0.297 282 Q N 1.182 121.088 119.800 0.176 0.000 2.454 282 Q HA -0.048 4.292 4.340 0.000 0.000 0.247 282 Q C -0.805 175.288 176.000 0.155 0.000 1.028 282 Q CA -0.223 55.608 55.803 0.046 0.000 0.910 282 Q CB 0.455 29.157 28.738 -0.060 0.000 1.276 282 Q HN 0.463 nan 8.270 nan 0.000 0.489 283 Y N 1.700 122.021 120.300 0.034 0.000 2.585 283 Y HA 0.172 4.722 4.550 0.000 0.000 0.354 283 Y C -0.916 174.976 175.900 -0.013 0.000 1.024 283 Y CA -0.757 57.355 58.100 0.019 0.000 1.321 283 Y CB 0.326 38.815 38.460 0.049 0.000 1.151 283 Y HN 0.727 nan 8.280 nan 0.000 0.525 284 D N 8.971 129.139 120.400 -0.388 0.000 2.607 284 D HA 0.265 4.905 4.640 0.000 0.000 0.318 284 D C -2.879 173.103 176.300 -0.530 0.000 1.212 284 D CA -2.219 51.550 54.000 -0.385 0.000 0.861 284 D CB 0.630 41.310 40.800 -0.201 0.000 1.064 284 D HN 0.248 nan 8.370 nan 0.000 0.500 285 P HA 0.319 nan 4.420 nan 0.000 0.266 285 P C 0.447 177.518 177.300 -0.382 0.000 1.193 285 P CA 0.403 63.125 63.100 -0.629 0.000 0.770 285 P CB 1.451 32.757 31.700 -0.657 0.000 0.836 286 G N 1.726 110.318 108.800 -0.346 0.000 2.399 286 G HA2 0.102 4.062 3.960 0.000 0.000 0.256 286 G HA3 0.102 4.062 3.960 0.000 0.000 0.256 286 G C -1.641 173.082 174.900 -0.295 0.000 1.236 286 G CA -0.657 44.286 45.100 -0.262 0.000 0.914 286 G HN 0.474 nan 8.290 nan 0.000 0.482 287 Q N -0.556 119.118 119.800 -0.209 0.000 2.259 287 Q HA 0.464 4.804 4.340 0.000 0.000 0.249 287 Q C 0.288 176.211 176.000 -0.128 0.000 0.914 287 Q CA -0.552 55.147 55.803 -0.174 0.000 0.904 287 Q CB 1.773 30.467 28.738 -0.073 0.000 1.213 287 Q HN 0.566 nan 8.270 nan 0.000 0.428 288 Y N 1.049 121.349 120.300 0.001 0.000 2.242 288 Y HA -0.069 4.481 4.550 0.000 0.000 0.291 288 Y C 0.553 176.502 175.900 0.081 0.000 1.137 288 Y CA 0.527 58.664 58.100 0.061 0.000 1.181 288 Y CB 0.538 39.039 38.460 0.067 0.000 0.989 288 Y HN 0.366 nan 8.280 nan 0.000 0.527 289 L N 0.078 121.416 121.223 0.192 0.000 2.472 289 L HA 0.335 4.675 4.340 0.000 0.000 0.260 289 L C -0.830 176.077 176.870 0.061 0.000 0.963 289 L CA -1.244 53.667 54.840 0.120 0.000 0.829 289 L CB 1.983 44.112 42.059 0.116 0.000 1.348 289 L HN -0.252 nan 8.230 nan 0.000 0.408 290 K N 1.791 122.213 120.400 0.036 0.000 2.202 290 K HA 0.381 4.701 4.320 0.000 0.000 0.264 290 K C -2.379 174.233 176.600 0.019 0.000 1.010 290 K CA -1.722 54.573 56.287 0.014 0.000 0.940 290 K CB 0.677 33.178 32.500 0.000 0.000 0.983 290 K HN 0.194 nan 8.250 nan 0.000 0.475 291 P HA -0.015 nan 4.420 nan 0.000 0.265 291 P C 0.621 177.927 177.300 0.011 0.000 1.187 291 P CA 0.871 63.977 63.100 0.011 0.000 0.766 291 P CB 0.421 32.123 31.700 0.004 0.000 0.820 292 G N 1.267 110.076 108.800 0.014 0.000 2.232 292 G HA2 -0.180 3.780 3.960 0.000 0.000 0.226 292 G HA3 -0.180 3.780 3.960 0.000 0.000 0.226 292 G C 0.197 175.112 174.900 0.025 0.000 0.996 292 G CA -0.071 45.038 45.100 0.013 0.000 0.626 292 G HN 0.612 nan 8.290 nan 0.000 0.509 293 T N 1.483 116.058 114.554 0.034 0.000 2.795 293 T HA 0.620 4.970 4.350 0.000 0.000 0.282 293 T C 0.020 174.747 174.700 0.045 0.000 0.980 293 T CA -0.332 61.799 62.100 0.051 0.000 1.012 293 T CB 1.892 70.798 68.868 0.064 0.000 0.936 293 T HN 0.534 nan 8.240 nan 0.000 0.457 294 R N 3.590 124.116 120.500 0.043 0.000 2.562 294 R HA 0.691 5.032 4.340 0.000 0.000 0.298 294 R C -1.507 174.810 176.300 0.028 0.000 0.961 294 R CA -0.774 55.344 56.100 0.029 0.000 0.881 294 R CB 1.132 31.446 30.300 0.023 0.000 1.159 294 R HN 0.591 nan 8.270 nan 0.000 0.450 295 L N 5.569 126.799 121.223 0.011 0.000 2.346 295 L HA 0.594 4.934 4.340 0.000 0.000 0.276 295 L C -1.300 175.556 176.870 -0.025 0.000 1.006 295 L CA -0.759 54.080 54.840 -0.002 0.000 0.817 295 L CB 1.622 43.670 42.059 -0.017 0.000 1.272 295 L HN 0.665 nan 8.230 nan 0.000 0.421 296 I N 3.744 124.301 120.570 -0.022 0.000 2.447 296 I HA 0.311 4.481 4.170 0.000 0.000 0.287 296 I C -0.530 175.564 176.117 -0.039 0.000 1.023 296 I CA -0.326 60.957 61.300 -0.029 0.000 1.083 296 I CB 2.058 40.051 38.000 -0.013 0.000 1.245 296 I HN 0.519 nan 8.210 nan 0.000 0.434 297 S N 5.787 121.452 115.700 -0.059 0.000 2.454 297 S HA 0.628 5.098 4.470 0.000 0.000 0.306 297 S C -0.771 173.801 174.600 -0.046 0.000 1.100 297 S CA -0.473 57.687 58.200 -0.066 0.000 1.087 297 S CB 1.292 64.424 63.200 -0.113 0.000 1.019 297 S HN 0.327 nan 8.310 nan 0.000 0.480 298 V N 4.954 124.849 119.914 -0.032 0.000 2.313 298 V HA 0.538 4.659 4.120 0.000 0.000 0.278 298 V C 0.425 176.504 176.094 -0.025 0.000 1.017 298 V CA -0.459 61.827 62.300 -0.025 0.000 0.823 298 V CB 0.955 32.770 31.823 -0.013 0.000 1.010 298 V HN 0.939 nan 8.190 nan 0.000 0.443 299 T N 3.218 117.752 114.554 -0.034 0.000 2.916 299 T HA 0.290 4.640 4.350 0.000 0.000 0.292 299 T C 0.838 175.506 174.700 -0.054 0.000 1.055 299 T CA -0.103 61.975 62.100 -0.036 0.000 1.009 299 T CB 1.467 70.312 68.868 -0.037 0.000 1.118 299 T HN 0.819 nan 8.240 nan 0.000 0.497 300 C N 1.361 120.610 119.300 -0.084 0.000 2.791 300 C HA 0.499 4.959 4.460 0.000 0.000 0.270 300 C C 0.353 175.241 174.990 -0.170 0.000 1.257 300 C CA -0.544 58.395 59.018 -0.132 0.000 1.699 300 C CB -1.200 26.430 27.740 -0.183 0.000 1.904 300 C HN 0.735 nan 8.230 nan 0.000 0.603 301 D N 1.153 121.477 120.400 -0.126 0.000 2.471 301 D HA 0.362 5.002 4.640 0.000 0.000 0.245 301 D C -1.958 174.318 176.300 -0.040 0.000 1.116 301 D CA -1.755 52.188 54.000 -0.097 0.000 0.853 301 D CB 2.178 42.960 40.800 -0.030 0.000 1.123 301 D HN -0.099 nan 8.370 nan 0.000 0.540 302 P HA -0.081 nan 4.420 nan 0.000 0.216 302 P C 1.745 179.047 177.300 0.004 0.000 1.150 302 P CA 0.811 63.903 63.100 -0.014 0.000 0.843 302 P CB 0.399 32.096 31.700 -0.005 0.000 0.787 303 L N -0.821 120.418 121.223 0.027 0.000 2.131 303 L HA -0.185 4.155 4.340 0.000 0.000 0.210 303 L C 2.348 179.238 176.870 0.033 0.000 1.092 303 L CA 1.512 56.385 54.840 0.054 0.000 0.759 303 L CB -0.694 41.433 42.059 0.114 0.000 0.903 303 L HN 0.073 nan 8.230 nan 0.000 0.435 304 E N -0.028 120.182 120.200 0.017 0.000 2.046 304 E HA -0.160 4.190 4.350 0.000 0.000 0.190 304 E C 2.323 178.897 176.600 -0.044 0.000 0.982 304 E CA 1.020 57.415 56.400 -0.009 0.000 0.800 304 E CB -0.098 29.602 29.700 0.000 0.000 0.756 304 E HN 0.456 nan 8.360 nan 0.000 0.449 305 A N 1.239 124.034 122.820 -0.042 0.000 1.972 305 A HA -0.136 4.185 4.320 0.000 0.000 0.219 305 A C 2.296 179.848 177.584 -0.053 0.000 1.169 305 A CA 1.700 53.703 52.037 -0.056 0.000 0.635 305 A CB -0.528 18.445 19.000 -0.045 0.000 0.810 305 A HN 0.306 nan 8.150 nan 0.000 0.446 306 A N 0.753 123.555 122.820 -0.031 0.000 1.897 306 A HA -0.120 4.200 4.320 0.000 0.000 0.215 306 A C 2.165 179.729 177.584 -0.034 0.000 1.181 306 A CA 1.475 53.497 52.037 -0.024 0.000 0.620 306 A CB -0.423 18.576 19.000 -0.003 0.000 0.821 306 A HN 0.695 nan 8.150 nan 0.000 0.443 307 R N -0.345 120.135 120.500 -0.033 0.000 2.299 307 R HA 0.423 4.763 4.340 0.000 0.000 0.197 307 R C 0.751 176.997 176.300 -0.091 0.000 0.971 307 R CA 0.558 56.635 56.100 -0.040 0.000 1.030 307 R CB -0.537 29.758 30.300 -0.009 0.000 0.932 307 R HN 0.269 nan 8.270 nan 0.000 0.477 308 A N 3.618 126.361 122.820 -0.127 0.000 2.545 308 A HA 0.131 4.451 4.320 0.000 0.000 0.253 308 A C -1.419 176.028 177.584 -0.229 0.000 1.074 308 A CA -1.138 50.773 52.037 -0.210 0.000 0.760 308 A CB 0.148 19.015 19.000 -0.221 0.000 1.005 308 A HN 0.294 nan 8.150 nan 0.000 0.506 309 P HA 0.027 nan 4.420 nan 0.000 0.245 309 P C -0.143 176.936 177.300 -0.369 0.000 1.212 309 P CA 0.779 63.621 63.100 -0.429 0.000 0.774 309 P CB -0.123 31.048 31.700 -0.881 0.000 0.999 310 M N -3.018 116.405 119.600 -0.296 0.000 2.833 310 M HA 0.581 5.061 4.480 0.000 0.000 0.270 310 M C -0.442 175.769 176.300 -0.147 0.000 1.209 310 M CA -0.064 55.133 55.300 -0.172 0.000 0.826 310 M CB 1.088 33.616 32.600 -0.120 0.000 1.657 310 M HN 0.034 nan 8.290 nan 0.000 0.492 311 G N 1.576 110.324 108.800 -0.087 0.000 2.829 311 G HA2 -0.065 3.895 3.960 0.000 0.000 0.628 311 G HA3 -0.065 3.895 3.960 0.000 0.000 0.628 311 G C -1.336 173.521 174.900 -0.072 0.000 1.412 311 G CA -0.100 44.956 45.100 -0.074 0.000 0.864 311 G HN 1.018 nan 8.290 nan 0.000 0.544 312 D N 0.031 120.398 120.400 -0.056 0.000 2.388 312 D HA 0.756 5.396 4.640 0.000 0.000 0.254 312 D C 0.670 176.935 176.300 -0.058 0.000 1.111 312 D CA 0.876 54.847 54.000 -0.048 0.000 0.993 312 D CB 1.650 42.431 40.800 -0.032 0.000 1.118 312 D HN 1.295 nan 8.370 nan 0.000 0.502 313 A N 0.371 123.161 122.820 -0.050 0.000 2.572 313 A HA 0.703 5.023 4.320 0.000 0.000 0.295 313 A C -1.268 176.293 177.584 -0.038 0.000 1.072 313 A CA -0.616 51.390 52.037 -0.052 0.000 0.691 313 A CB 1.248 20.210 19.000 -0.063 0.000 1.291 313 A HN 0.453 nan 8.150 nan 0.000 0.404 314 I N 1.507 122.055 120.570 -0.036 0.000 2.478 314 I HA 0.347 4.518 4.170 0.000 0.000 0.287 314 I C -0.937 175.161 176.117 -0.032 0.000 1.042 314 I CA -0.876 60.406 61.300 -0.029 0.000 1.067 314 I CB 2.139 40.126 38.000 -0.023 0.000 1.233 314 I HN 0.311 nan 8.210 nan 0.000 0.431 315 V N 5.954 125.849 119.914 -0.032 0.000 2.348 315 V HA 0.820 4.940 4.120 0.000 0.000 0.270 315 V C 0.366 176.438 176.094 -0.035 0.000 1.037 315 V CA -0.013 62.265 62.300 -0.037 0.000 0.872 315 V CB 0.564 32.365 31.823 -0.036 0.000 1.002 315 V HN 0.898 nan 8.190 nan 0.000 0.464 316 A N 3.747 126.544 122.820 -0.039 0.000 2.493 316 A HA 0.623 4.944 4.320 0.000 0.000 0.300 316 A C -1.177 176.384 177.584 -0.039 0.000 1.152 316 A CA -0.755 51.261 52.037 -0.034 0.000 0.643 316 A CB 0.931 19.917 19.000 -0.024 0.000 1.316 316 A HN 0.658 nan 8.150 nan 0.000 0.469 317 D N 0.206 120.587 120.400 -0.031 0.000 2.383 317 D HA 0.301 4.941 4.640 0.000 0.000 0.252 317 D C 1.129 177.417 176.300 -0.019 0.000 1.166 317 D CA -0.302 53.681 54.000 -0.029 0.000 0.879 317 D CB 0.340 41.130 40.800 -0.017 0.000 1.164 317 D HN 0.281 nan 8.370 nan 0.000 0.462 318 I N 3.750 124.308 120.570 -0.020 0.000 2.286 318 I HA -0.077 4.093 4.170 0.000 0.000 0.248 318 I C 2.239 178.359 176.117 0.006 0.000 1.115 318 I CA 1.107 62.404 61.300 -0.004 0.000 1.392 318 I CB -1.556 36.446 38.000 0.002 0.000 1.065 318 I HN 0.654 nan 8.210 nan 0.000 0.418 319 G N 0.746 109.549 108.800 0.006 0.000 2.433 319 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 319 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 319 G C 1.886 176.792 174.900 0.010 0.000 1.186 319 G CA 1.082 46.189 45.100 0.012 0.000 0.779 319 G HN 0.473 nan 8.290 nan 0.000 0.543 320 A N 0.434 123.257 122.820 0.005 0.000 1.883 320 A HA -0.042 4.278 4.320 0.000 0.000 0.217 320 A C 2.468 180.055 177.584 0.004 0.000 1.186 320 A CA 2.204 54.243 52.037 0.004 0.000 0.624 320 A CB -0.372 18.628 19.000 0.001 0.000 0.822 320 A HN 0.304 nan 8.150 nan 0.000 0.444 321 M N -0.560 119.041 119.600 0.002 0.000 2.099 321 M HA -0.091 4.389 4.480 0.000 0.000 0.262 321 M C 2.580 178.885 176.300 0.009 0.000 1.067 321 M CA 1.595 56.897 55.300 0.003 0.000 1.124 321 M CB -1.602 30.997 32.600 -0.001 0.000 1.353 321 M HN 0.489 nan 8.290 nan 0.000 0.410 322 A N -0.319 122.509 122.820 0.014 0.000 1.883 322 A HA -0.199 4.121 4.320 0.000 0.000 0.217 322 A C 2.505 180.101 177.584 0.021 0.000 1.186 322 A CA 2.561 54.611 52.037 0.022 0.000 0.624 322 A CB -1.098 17.919 19.000 0.029 0.000 0.822 322 A HN 0.514 nan 8.150 nan 0.000 0.444 323 S N -0.467 115.242 115.700 0.016 0.000 2.348 323 S HA -0.076 4.395 4.470 0.000 0.000 0.221 323 S C 2.240 176.848 174.600 0.013 0.000 1.033 323 S CA 1.857 60.065 58.200 0.014 0.000 1.010 323 S CB -0.642 62.564 63.200 0.011 0.000 0.891 323 S HN 0.937 nan 8.310 nan 0.000 0.442 324 A N 1.625 124.451 122.820 0.010 0.000 1.873 324 A HA -0.049 4.271 4.320 0.000 0.000 0.218 324 A C 2.316 179.906 177.584 0.010 0.000 1.193 324 A CA 1.826 53.868 52.037 0.008 0.000 0.629 324 A CB -1.054 17.948 19.000 0.005 0.000 0.826 324 A HN 0.598 nan 8.150 nan 0.000 0.447 325 L N -0.937 120.293 121.223 0.012 0.000 2.017 325 L HA -0.209 4.131 4.340 0.000 0.000 0.208 325 L C 3.111 179.992 176.870 0.018 0.000 1.073 325 L CA 1.118 55.966 54.840 0.014 0.000 0.745 325 L CB -0.606 41.462 42.059 0.014 0.000 0.894 325 L HN 0.453 nan 8.230 nan 0.000 0.432 326 A N 0.157 122.989 122.820 0.021 0.000 1.978 326 A HA -0.187 4.134 4.320 0.000 0.000 0.220 326 A C 1.814 179.411 177.584 0.021 0.000 1.170 326 A CA 1.820 53.872 52.037 0.025 0.000 0.636 326 A CB -0.458 18.558 19.000 0.028 0.000 0.810 326 A HN 0.513 nan 8.150 nan 0.000 0.448 327 N N -0.893 117.817 118.700 0.016 0.000 2.280 327 N HA 0.195 4.935 4.740 0.000 0.000 0.192 327 N C 1.070 176.587 175.510 0.012 0.000 1.109 327 N CA 0.393 53.452 53.050 0.014 0.000 0.855 327 N CB 0.417 38.910 38.487 0.011 0.000 0.974 327 N HN 0.486 nan 8.380 nan 0.000 0.482 328 L N 0.169 121.400 121.223 0.013 0.000 2.577 328 L HA 0.187 4.528 4.340 0.000 0.000 0.225 328 L C 0.647 177.524 176.870 0.013 0.000 1.053 328 L CA 0.033 54.880 54.840 0.011 0.000 0.866 328 L CB 0.130 42.194 42.059 0.009 0.000 1.132 328 L HN -0.107 nan 8.230 nan 0.000 0.486 329 V N -0.710 119.214 119.914 0.015 0.000 2.872 329 V HA 0.075 4.196 4.120 0.000 0.000 0.307 329 V C 0.156 176.261 176.094 0.018 0.000 1.072 329 V CA -0.715 61.595 62.300 0.017 0.000 1.148 329 V CB 0.257 32.092 31.823 0.020 0.000 0.954 329 V HN 0.195 nan 8.190 nan 0.000 0.490 330 E N 1.600 121.811 120.200 0.018 0.000 2.349 330 E HA 0.297 4.647 4.350 0.000 0.000 0.262 330 E C -0.358 176.254 176.600 0.021 0.000 1.088 330 E CA -0.536 55.874 56.400 0.018 0.000 0.899 330 E CB 0.910 30.620 29.700 0.015 0.000 1.044 330 E HN 0.906 nan 8.360 nan 0.000 0.420 331 E N 1.562 121.775 120.200 0.021 0.000 2.104 331 E HA 0.023 4.373 4.350 0.000 0.000 0.278 331 E C -0.652 175.962 176.600 0.023 0.000 1.127 331 E CA -0.070 56.344 56.400 0.024 0.000 0.897 331 E CB 0.524 30.237 29.700 0.022 0.000 1.043 331 E HN 0.325 nan 8.360 nan 0.000 0.410 332 S N 3.084 118.800 115.700 0.027 0.000 2.572 332 S HA 0.018 4.488 4.470 0.000 0.000 0.279 332 S C 1.058 175.672 174.600 0.024 0.000 1.341 332 S CA 0.150 58.365 58.200 0.026 0.000 1.043 332 S CB 0.538 63.756 63.200 0.030 0.000 0.887 332 S HN 0.659 nan 8.310 nan 0.000 0.516 333 S N 4.111 119.823 115.700 0.020 0.000 2.562 333 S HA 0.167 4.637 4.470 0.000 0.000 0.221 333 S C 0.742 175.353 174.600 0.018 0.000 0.975 333 S CA -0.279 57.931 58.200 0.018 0.000 0.918 333 S CB -0.144 63.064 63.200 0.014 0.000 0.772 333 S HN 0.712 nan 8.310 nan 0.000 0.531 334 R N 1.511 122.024 120.500 0.022 0.000 2.827 334 R HA 0.162 4.502 4.340 0.000 0.000 0.269 334 R C 0.081 176.395 176.300 0.024 0.000 1.048 334 R CA -0.056 56.057 56.100 0.023 0.000 1.173 334 R CB 0.181 30.498 30.300 0.028 0.000 1.070 334 R HN 0.353 nan 8.270 nan 0.000 0.498 335 Q N 1.596 121.409 119.800 0.022 0.000 2.314 335 Q HA 0.064 4.404 4.340 0.000 0.000 0.258 335 Q C -0.243 175.773 176.000 0.028 0.000 0.954 335 Q CA -0.356 55.459 55.803 0.020 0.000 0.890 335 Q CB 0.858 29.605 28.738 0.015 0.000 1.210 335 Q HN 0.282 nan 8.270 nan 0.000 0.410 336 L N 5.132 126.373 121.223 0.029 0.000 2.490 336 L HA 0.150 4.490 4.340 0.000 0.000 0.274 336 L C -2.108 174.783 176.870 0.035 0.000 1.201 336 L CA -0.786 54.079 54.840 0.042 0.000 0.869 336 L CB 0.031 42.114 42.059 0.040 0.000 1.123 336 L HN 0.427 nan 8.230 nan 0.000 0.484 337 P HA 0.055 nan 4.420 nan 0.000 0.266 337 P C -0.975 176.335 177.300 0.016 0.000 1.193 337 P CA 0.030 63.146 63.100 0.027 0.000 0.770 337 P CB 0.272 31.986 31.700 0.023 0.000 0.836 338 T N 1.804 116.359 114.554 0.002 0.000 2.856 338 T HA 0.433 4.783 4.350 0.000 0.000 0.292 338 T C 0.340 175.035 174.700 -0.008 0.000 0.980 338 T CA -0.329 61.767 62.100 -0.006 0.000 1.091 338 T CB 0.558 69.422 68.868 -0.008 0.000 0.936 338 T HN 0.465 nan 8.240 nan 0.000 0.503 339 A N 2.677 125.494 122.820 -0.006 0.000 2.531 339 A HA 0.527 4.847 4.320 0.000 0.000 0.236 339 A C 0.870 178.451 177.584 -0.004 0.000 1.062 339 A CA -0.416 51.624 52.037 0.005 0.000 0.760 339 A CB -0.251 18.748 19.000 -0.000 0.000 0.995 339 A HN 1.083 nan 8.150 nan 0.000 0.501 340 A N 3.829 126.647 122.820 -0.004 0.000 2.445 340 A HA 0.547 4.867 4.320 0.000 0.000 0.242 340 A C -1.394 176.189 177.584 -0.002 0.000 1.075 340 A CA -0.884 51.140 52.037 -0.021 0.000 0.777 340 A CB -0.516 18.458 19.000 -0.043 0.000 1.013 340 A HN 0.806 nan 8.150 nan 0.000 0.493 341 P HA 0.163 nan 4.420 nan 0.000 0.274 341 P C -0.489 176.814 177.300 0.005 0.000 1.231 341 P CA -0.361 62.738 63.100 -0.001 0.000 0.790 341 P CB 0.560 32.258 31.700 -0.004 0.000 0.951 342 E N 2.364 122.568 120.200 0.007 0.000 2.413 342 E HA 0.096 4.446 4.350 0.000 0.000 0.263 342 E C -1.527 175.079 176.600 0.010 0.000 1.015 342 E CA -0.927 55.480 56.400 0.011 0.000 0.916 342 E CB -0.298 29.408 29.700 0.010 0.000 0.947 342 E HN 0.445 nan 8.360 nan 0.000 0.440 343 P HA 0.074 nan 4.420 nan 0.000 0.269 343 P C -0.690 176.616 177.300 0.010 0.000 1.215 343 P CA -0.267 62.839 63.100 0.011 0.000 0.780 343 P CB 0.580 32.289 31.700 0.014 0.000 0.898 344 A N 2.648 125.472 122.820 0.005 0.000 2.425 344 A HA 0.139 4.459 4.320 0.000 0.000 0.242 344 A C 0.583 178.169 177.584 0.003 0.000 1.077 344 A CA -0.180 51.859 52.037 0.002 0.000 0.781 344 A CB -0.065 18.933 19.000 -0.003 0.000 1.020 344 A HN 0.523 nan 8.150 nan 0.000 0.494 345 K N 2.738 123.139 120.400 0.002 0.000 2.284 345 K HA 0.356 4.676 4.320 0.000 0.000 0.287 345 K C -0.633 175.959 176.600 -0.013 0.000 1.081 345 K CA -0.123 56.166 56.287 0.003 0.000 0.910 345 K CB 0.411 32.915 32.500 0.008 0.000 1.088 345 K HN 0.439 nan 8.250 nan 0.000 0.478 346 V N 3.741 123.638 119.914 -0.028 0.000 2.811 346 V HA -0.026 4.095 4.120 0.000 0.000 0.302 346 V C 0.494 176.542 176.094 -0.078 0.000 1.063 346 V CA -0.312 61.939 62.300 -0.081 0.000 1.088 346 V CB 0.770 32.504 31.823 -0.147 0.000 0.982 346 V HN 0.713 nan 8.190 nan 0.000 0.485 347 D N 2.884 123.223 120.400 -0.101 0.000 2.455 347 D HA 0.253 4.893 4.640 0.000 0.000 0.241 347 D C -0.053 176.246 176.300 -0.002 0.000 1.138 347 D CA 0.363 54.337 54.000 -0.044 0.000 0.877 347 D CB 0.979 41.760 40.800 -0.032 0.000 1.187 347 D HN 0.530 nan 8.370 nan 0.000 0.451 348 Q N 2.211 122.053 119.800 0.071 0.000 2.350 348 Q HA 0.206 4.546 4.340 0.000 0.000 0.255 348 Q C -1.314 174.744 176.000 0.096 0.000 0.951 348 Q CA -0.758 55.135 55.803 0.151 0.000 0.751 348 Q CB 0.975 29.791 28.738 0.130 0.000 1.296 348 Q HN 0.381 nan 8.270 nan 0.000 0.453 349 D N 1.877 122.336 120.400 0.097 0.000 2.376 349 D HA 0.334 4.974 4.640 0.000 0.000 0.268 349 D C 0.302 176.624 176.300 0.037 0.000 1.252 349 D CA 0.006 54.039 54.000 0.056 0.000 1.041 349 D CB 0.397 41.227 40.800 0.050 0.000 1.109 349 D HN 0.432 nan 8.370 nan 0.000 0.552 350 A N -1.132 121.703 122.820 0.024 0.000 2.302 350 A HA 0.472 4.792 4.320 0.000 0.000 0.219 350 A C 0.979 178.567 177.584 0.006 0.000 1.243 350 A CA 0.372 52.418 52.037 0.015 0.000 0.856 350 A CB -1.106 17.902 19.000 0.014 0.000 0.893 350 A HN 0.535 nan 8.150 nan 0.000 0.491 351 G N -0.628 108.172 108.800 -0.000 0.000 2.849 351 G HA2 0.435 4.395 3.960 0.000 0.000 0.174 351 G HA3 0.435 4.395 3.960 0.000 0.000 0.174 351 G C -0.037 174.841 174.900 -0.037 0.000 1.370 351 G CA -1.045 44.046 45.100 -0.015 0.000 1.040 351 G HN 0.431 nan 8.290 nan 0.000 0.582 352 R N -0.765 119.700 120.500 -0.057 0.000 2.697 352 R HA 0.139 4.479 4.340 0.000 0.000 0.265 352 R C -0.616 175.600 176.300 -0.139 0.000 1.009 352 R CA -0.068 55.982 56.100 -0.083 0.000 1.099 352 R CB 0.063 30.310 30.300 -0.088 0.000 0.965 352 R HN 0.139 nan 8.270 nan 0.000 0.428 353 L N 2.543 123.693 121.223 -0.120 0.000 2.375 353 L HA 0.209 4.550 4.340 0.000 0.000 0.271 353 L C 0.667 177.429 176.870 -0.180 0.000 1.107 353 L CA -0.111 54.657 54.840 -0.121 0.000 0.806 353 L CB 0.533 42.552 42.059 -0.066 0.000 1.146 353 L HN 0.369 nan 8.230 nan 0.000 0.447 354 H N 2.007 121.061 119.070 -0.026 0.000 2.525 354 H HA 0.160 4.716 4.556 0.000 0.000 0.339 354 H C -1.645 173.650 175.328 -0.055 0.000 1.109 354 H CA -1.611 54.425 56.048 -0.020 0.000 1.352 354 H CB 1.436 31.198 29.762 -0.000 0.000 1.461 354 H HN 0.374 nan 8.280 nan 0.000 0.533 355 P HA -0.176 nan 4.420 nan 0.000 0.216 355 P C 1.046 178.322 177.300 -0.040 0.000 1.153 355 P CA 1.390 64.446 63.100 -0.073 0.000 0.858 355 P CB 0.468 32.222 31.700 0.090 0.000 0.789 356 E N -1.079 119.213 120.200 0.153 0.000 2.070 356 E HA -0.168 4.182 4.350 0.000 0.000 0.197 356 E C 2.014 178.683 176.600 0.115 0.000 1.004 356 E CA 1.874 58.389 56.400 0.192 0.000 0.805 356 E CB -1.564 28.202 29.700 0.110 0.000 0.744 356 E HN 0.236 nan 8.360 nan 0.000 0.451 357 T N 0.327 114.925 114.554 0.072 0.000 2.684 357 T HA -0.152 4.199 4.350 0.000 0.000 0.267 357 T C 2.009 176.701 174.700 -0.013 0.000 1.036 357 T CA 1.409 63.535 62.100 0.044 0.000 1.148 357 T CB -0.397 68.509 68.868 0.062 0.000 0.863 357 T HN -0.025 nan 8.240 nan 0.000 0.436 358 V N 0.781 120.623 119.914 -0.120 0.000 2.287 358 V HA -0.159 3.961 4.120 0.000 0.000 0.248 358 V C 2.098 178.085 176.094 -0.179 0.000 1.053 358 V CA 1.767 63.935 62.300 -0.220 0.000 1.027 358 V CB -0.874 30.694 31.823 -0.424 0.000 0.646 358 V HN 0.482 nan 8.190 nan 0.000 0.447 359 F N 0.270 120.226 119.950 0.010 0.000 2.134 359 F HA -0.168 4.359 4.527 0.000 0.000 0.299 359 F C 2.412 178.201 175.800 -0.019 0.000 1.097 359 F CA 1.438 59.423 58.000 -0.024 0.000 1.264 359 F CB -0.438 38.534 39.000 -0.047 0.000 1.001 359 F HN 0.182 nan 8.300 nan 0.000 0.479 360 D N -0.192 120.307 120.400 0.165 0.000 2.123 360 D HA -0.138 4.502 4.640 0.000 0.000 0.196 360 D C 2.253 178.597 176.300 0.074 0.000 0.992 360 D CA 1.798 55.857 54.000 0.097 0.000 0.833 360 D CB -0.793 40.050 40.800 0.072 0.000 0.954 360 D HN 0.167 nan 8.370 nan 0.000 0.455 361 T N 1.042 115.631 114.554 0.058 0.000 2.708 361 T HA -0.070 4.280 4.350 0.000 0.000 0.266 361 T C 2.242 176.983 174.700 0.068 0.000 1.037 361 T CA 0.501 62.629 62.100 0.047 0.000 1.146 361 T CB -0.352 68.530 68.868 0.024 0.000 0.865 361 T HN 0.106 nan 8.240 nan 0.000 0.435 362 L N 1.284 122.563 121.223 0.092 0.000 2.042 362 L HA -0.164 4.176 4.340 0.000 0.000 0.210 362 L C 2.721 179.689 176.870 0.164 0.000 1.076 362 L CA 1.327 56.257 54.840 0.150 0.000 0.749 362 L CB -0.607 41.590 42.059 0.230 0.000 0.893 362 L HN 0.403 nan 8.230 nan 0.000 0.432 363 N N -0.286 118.491 118.700 0.128 0.000 2.149 363 N HA -0.214 4.526 4.740 0.000 0.000 0.188 363 N C 1.256 176.814 175.510 0.081 0.000 1.019 363 N CA 1.528 54.638 53.050 0.100 0.000 0.857 363 N CB 0.101 38.620 38.487 0.053 0.000 0.997 363 N HN 0.343 nan 8.380 nan 0.000 0.426 364 D N 0.254 120.694 120.400 0.066 0.000 2.149 364 D HA -0.070 4.570 4.640 0.000 0.000 0.201 364 D C 1.815 178.143 176.300 0.046 0.000 0.972 364 D CA 0.983 55.012 54.000 0.047 0.000 0.835 364 D CB -0.019 40.804 40.800 0.038 0.000 0.966 364 D HN 0.443 nan 8.370 nan 0.000 0.476 365 M N 0.282 119.914 119.600 0.054 0.000 2.486 365 M HA 0.174 4.654 4.480 0.000 0.000 0.264 365 M C 0.941 177.266 176.300 0.042 0.000 1.125 365 M CA -0.005 55.321 55.300 0.043 0.000 1.144 365 M CB 0.450 33.073 32.600 0.038 0.000 1.353 365 M HN -0.192 nan 8.290 nan 0.000 0.466 366 A N 2.587 125.448 122.820 0.068 0.000 2.407 366 A HA 0.396 4.717 4.320 0.000 0.000 0.248 366 A C -2.073 175.525 177.584 0.023 0.000 1.082 366 A CA -1.218 50.846 52.037 0.044 0.000 0.785 366 A CB -0.638 18.419 19.000 0.095 0.000 1.020 366 A HN 0.122 nan 8.150 nan 0.000 0.489 367 P HA 0.052 nan 4.420 nan 0.000 0.269 367 P C 0.173 177.466 177.300 -0.012 0.000 1.215 367 P CA -0.028 63.060 63.100 -0.019 0.000 0.780 367 P CB 0.526 32.203 31.700 -0.038 0.000 0.898 368 E N 1.296 121.493 120.200 -0.006 0.000 2.265 368 E HA -0.153 4.197 4.350 0.000 0.000 0.196 368 E C 0.822 177.416 176.600 -0.011 0.000 0.996 368 E CA 0.927 57.328 56.400 0.000 0.000 0.832 368 E CB -0.274 29.422 29.700 -0.006 0.000 0.756 368 E HN 0.534 nan 8.360 nan 0.000 0.491 369 N N 0.616 119.298 118.700 -0.030 0.000 2.321 369 N HA 0.141 4.882 4.740 0.000 0.000 0.242 369 N C -0.184 175.283 175.510 -0.071 0.000 1.141 369 N CA -0.120 52.906 53.050 -0.039 0.000 0.864 369 N CB 0.228 38.694 38.487 -0.034 0.000 1.100 369 N HN -0.058 nan 8.380 nan 0.000 0.510 370 A N 0.778 123.531 122.820 -0.111 0.000 2.406 370 A HA 0.485 4.805 4.320 0.000 0.000 0.243 370 A C 0.086 177.502 177.584 -0.279 0.000 1.082 370 A CA -0.169 51.722 52.037 -0.244 0.000 0.786 370 A CB 0.168 18.932 19.000 -0.394 0.000 1.029 370 A HN 0.396 nan 8.150 nan 0.000 0.495 371 I N 0.994 121.374 120.570 -0.318 0.000 2.418 371 I HA 0.319 4.489 4.170 0.000 0.000 0.287 371 I C -1.239 174.730 176.117 -0.247 0.000 1.008 371 I CA -0.236 60.964 61.300 -0.166 0.000 1.104 371 I CB 1.257 39.249 38.000 -0.013 0.000 1.264 371 I HN 0.614 nan 8.210 nan 0.000 0.438 372 Y N 6.086 126.404 120.300 0.030 0.000 2.387 372 Y HA 0.653 5.203 4.550 0.000 0.000 0.330 372 Y C -0.362 175.540 175.900 0.004 0.000 1.133 372 Y CA -0.803 57.313 58.100 0.027 0.000 1.152 372 Y CB 1.477 39.965 38.460 0.046 0.000 1.215 372 Y HN 0.332 nan 8.280 nan 0.000 0.466 373 L N 2.553 123.875 121.223 0.166 0.000 2.386 373 L HA 0.399 4.739 4.340 0.000 0.000 0.271 373 L C -0.645 176.287 176.870 0.103 0.000 0.993 373 L CA -0.508 54.378 54.840 0.077 0.000 0.819 373 L CB 1.987 44.082 42.059 0.060 0.000 1.294 373 L HN 0.669 nan 8.230 nan 0.000 0.414 374 N N 1.929 120.675 118.700 0.076 0.000 2.399 374 N HA 0.325 5.065 4.740 0.000 0.000 0.280 374 N C -0.811 174.907 175.510 0.347 0.000 1.008 374 N CA -0.223 52.976 53.050 0.248 0.000 0.894 374 N CB 1.260 39.941 38.487 0.323 0.000 1.273 374 N HN 0.761 nan 8.380 nan 0.000 0.486 375 E N 2.429 122.800 120.200 0.284 0.000 3.843 375 E HA 0.050 4.400 4.350 0.000 0.000 0.189 375 E C -1.296 175.448 176.600 0.241 0.000 1.013 375 E CA -0.098 56.446 56.400 0.239 0.000 1.395 375 E CB 0.479 30.273 29.700 0.156 0.000 1.136 375 E HN 0.353 nan 8.360 nan 0.000 0.444 376 S N 0.453 116.326 115.700 0.289 0.000 2.497 376 S HA 0.051 4.521 4.470 0.000 0.000 0.176 376 S C 1.434 176.200 174.600 0.277 0.000 1.445 376 S CA 0.113 58.466 58.200 0.255 0.000 1.092 376 S CB 0.050 63.413 63.200 0.271 0.000 1.216 376 S HN 0.470 nan 8.310 nan 0.000 0.486 377 T N 0.292 115.011 114.554 0.275 0.000 2.751 377 T HA -0.206 4.144 4.350 0.000 0.000 0.268 377 T C 1.636 176.457 174.700 0.202 0.000 1.045 377 T CA 2.024 64.291 62.100 0.278 0.000 1.142 377 T CB -0.685 68.326 68.868 0.239 0.000 0.851 377 T HN 0.685 nan 8.240 nan 0.000 0.474 378 S N 0.608 116.406 115.700 0.163 0.000 2.556 378 S HA 0.165 4.635 4.470 0.000 0.000 0.216 378 S C 1.529 176.162 174.600 0.054 0.000 0.970 378 S CA 0.246 58.493 58.200 0.080 0.000 0.912 378 S CB -0.189 63.056 63.200 0.074 0.000 0.790 378 S HN 0.782 nan 8.310 nan 0.000 0.504 379 T N -3.112 111.525 114.554 0.140 0.000 3.145 379 T HA 0.214 4.564 4.350 0.000 0.000 0.281 379 T C 1.196 175.976 174.700 0.132 0.000 1.003 379 T CA 0.227 62.437 62.100 0.184 0.000 0.901 379 T CB -0.219 68.872 68.868 0.371 0.000 1.112 379 T HN 0.143 nan 8.240 nan 0.000 0.535 380 T N 2.290 116.904 114.554 0.101 0.000 2.699 380 T HA -0.069 4.281 4.350 0.000 0.000 0.268 380 T C 2.375 177.107 174.700 0.053 0.000 1.036 380 T CA 1.702 63.849 62.100 0.077 0.000 1.147 380 T CB -0.691 68.203 68.868 0.043 0.000 0.862 380 T HN 0.645 nan 8.240 nan 0.000 0.446 381 A N 1.478 124.303 122.820 0.008 0.000 1.858 381 A HA -0.195 4.125 4.320 0.000 0.000 0.216 381 A C 2.327 179.896 177.584 -0.024 0.000 1.190 381 A CA 1.791 53.823 52.037 -0.008 0.000 0.617 381 A CB -0.763 18.211 19.000 -0.043 0.000 0.827 381 A HN 0.470 nan 8.150 nan 0.000 0.443 382 Q N -0.917 118.855 119.800 -0.045 0.000 2.124 382 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 382 Q C 2.113 177.935 176.000 -0.298 0.000 0.977 382 Q CA 1.710 57.478 55.803 -0.059 0.000 0.850 382 Q CB -0.490 28.305 28.738 0.094 0.000 0.901 382 Q HN 0.781 nan 8.270 nan 0.000 0.429 383 M N -1.166 118.035 119.600 -0.664 0.000 2.080 383 M HA -0.198 4.282 4.480 0.000 0.000 0.260 383 M C 1.158 177.080 176.300 -0.630 0.000 1.068 383 M CA 1.673 56.212 55.300 -1.268 0.000 1.109 383 M CB -0.157 31.702 32.600 -1.235 0.000 1.342 383 M HN 0.307 nan 8.290 nan 0.000 0.405 384 W N 0.710 121.754 121.300 -0.427 0.000 2.421 384 W HA -0.155 4.505 4.660 0.000 0.000 0.270 384 W C 2.305 178.711 176.519 -0.188 0.000 1.233 384 W CA 1.212 58.368 57.345 -0.315 0.000 1.226 384 W CB -0.020 29.285 29.460 -0.258 0.000 1.121 384 W HN 0.397 nan 8.180 nan 0.000 0.579 385 Q N -0.883 118.933 119.800 0.026 0.000 2.250 385 Q HA 0.014 4.354 4.340 0.000 0.000 0.200 385 Q C 1.800 177.789 176.000 -0.019 0.000 0.941 385 Q CA 0.763 56.584 55.803 0.030 0.000 0.872 385 Q CB -0.019 28.726 28.738 0.012 0.000 0.965 385 Q HN 0.257 nan 8.270 nan 0.000 0.480 386 R N -0.255 120.186 120.500 -0.097 0.000 2.334 386 R HA 0.241 4.581 4.340 0.000 0.000 0.216 386 R C -0.127 176.111 176.300 -0.103 0.000 0.905 386 R CA 0.028 56.092 56.100 -0.061 0.000 1.064 386 R CB 0.563 30.874 30.300 0.018 0.000 1.046 386 R HN 0.054 nan 8.270 nan 0.000 0.508 387 L N 1.419 122.513 121.223 -0.216 0.000 2.305 387 L HA 0.283 4.623 4.340 0.000 0.000 0.284 387 L C -0.410 176.347 176.870 -0.188 0.000 1.013 387 L CA -0.550 54.127 54.840 -0.272 0.000 0.819 387 L CB 1.691 43.399 42.059 -0.585 0.000 1.227 387 L HN 0.124 nan 8.230 nan 0.000 0.417 388 N N 5.160 123.805 118.700 -0.093 0.000 2.439 388 N HA 0.312 5.052 4.740 0.000 0.000 0.243 388 N C -0.825 174.652 175.510 -0.055 0.000 1.088 388 N CA -0.501 52.510 53.050 -0.065 0.000 0.940 388 N CB 0.541 39.012 38.487 -0.026 0.000 1.180 388 N HN 0.570 nan 8.380 nan 0.000 0.505 389 M N 3.635 123.167 119.600 -0.113 0.000 2.055 389 M HA 0.242 4.722 4.480 0.000 0.000 0.346 389 M C 0.954 177.183 176.300 -0.118 0.000 1.074 389 M CA -0.430 54.819 55.300 -0.085 0.000 1.009 389 M CB 1.490 34.009 32.600 -0.136 0.000 1.423 389 M HN 0.445 nan 8.290 nan 0.000 0.410 390 R N 0.579 121.031 120.500 -0.081 0.000 2.127 390 R HA 0.120 4.460 4.340 0.000 0.000 0.217 390 R C 0.402 176.638 176.300 -0.106 0.000 1.074 390 R CA 0.682 56.722 56.100 -0.100 0.000 0.991 390 R CB 0.121 30.380 30.300 -0.069 0.000 0.895 390 R HN 0.631 nan 8.270 nan 0.000 0.450 391 N N 1.222 119.877 118.700 -0.075 0.000 2.485 391 N HA 0.298 5.038 4.740 0.000 0.000 0.280 391 N C -2.600 172.875 175.510 -0.059 0.000 1.205 391 N CA -1.625 51.386 53.050 -0.065 0.000 0.959 391 N CB 0.619 39.081 38.487 -0.042 0.000 1.206 391 N HN -0.217 nan 8.380 nan 0.000 0.545 392 P HA 0.139 nan 4.420 nan 0.000 0.274 392 P C 0.288 177.581 177.300 -0.011 0.000 1.256 392 P CA 0.152 63.237 63.100 -0.026 0.000 0.795 392 P CB 0.271 31.963 31.700 -0.012 0.000 1.038 393 G N 0.560 109.352 108.800 -0.014 0.000 2.395 393 G HA2 -0.251 3.709 3.960 0.000 0.000 0.300 393 G HA3 -0.251 3.709 3.960 0.000 0.000 0.300 393 G C 0.523 175.416 174.900 -0.012 0.000 0.998 393 G CA 0.529 45.631 45.100 0.004 0.000 1.046 393 G HN 0.424 nan 8.290 nan 0.000 0.513 394 S N -1.454 114.197 115.700 -0.081 0.000 2.559 394 S HA 0.370 4.840 4.470 0.000 0.000 0.226 394 S C -0.123 174.501 174.600 0.040 0.000 1.000 394 S CA 0.087 58.285 58.200 -0.004 0.000 0.948 394 S CB 0.615 63.823 63.200 0.014 0.000 0.870 394 S HN 0.766 nan 8.310 nan 0.000 0.497 395 Y N 0.730 120.821 120.300 -0.349 0.000 2.479 395 Y HA 0.566 5.116 4.550 0.000 0.000 0.338 395 Y C -2.179 173.408 175.900 -0.522 0.000 1.055 395 Y CA -1.287 56.632 58.100 -0.300 0.000 1.023 395 Y CB 1.034 39.278 38.460 -0.360 0.000 1.287 395 Y HN 0.066 nan 8.280 nan 0.000 0.447 396 Y N 6.414 126.432 120.300 -0.471 0.000 2.457 396 Y HA 0.575 5.125 4.550 0.000 0.000 0.343 396 Y C -1.501 174.273 175.900 -0.209 0.000 0.994 396 Y CA -1.088 56.920 58.100 -0.154 0.000 1.031 396 Y CB 2.179 40.717 38.460 0.128 0.000 1.246 396 Y HN 0.588 nan 8.280 nan 0.000 0.449 397 F N 3.002 122.941 119.950 -0.018 0.000 2.574 397 F HA 0.512 5.039 4.527 0.000 0.000 0.313 397 F C -0.303 175.443 175.800 -0.090 0.000 1.130 397 F CA -1.783 56.233 58.000 0.026 0.000 0.936 397 F CB 0.887 39.967 39.000 0.132 0.000 1.219 397 F HN 0.727 nan 8.300 nan 0.000 0.445 398 C N 4.661 123.456 119.300 -0.841 0.000 2.250 398 C HA 0.354 4.814 4.460 0.000 0.000 0.405 398 C C 1.716 176.318 174.990 -0.646 0.000 1.516 398 C CA -0.026 58.407 59.018 -0.975 0.000 1.412 398 C CB -1.532 25.792 27.740 -0.693 0.000 2.534 398 C HN 1.061 nan 8.230 nan 0.000 0.621 399 A N 3.244 125.788 122.820 -0.460 0.000 2.032 399 A HA 0.139 4.459 4.320 0.000 0.000 0.221 399 A C 2.240 179.757 177.584 -0.112 0.000 1.165 399 A CA 2.013 53.951 52.037 -0.165 0.000 0.645 399 A CB -0.405 18.495 19.000 -0.166 0.000 0.807 399 A HN 1.710 nan 8.150 nan 0.000 0.453 400 A N -2.550 120.164 122.820 -0.177 0.000 2.430 400 A HA 0.471 4.791 4.320 0.000 0.000 0.243 400 A C 1.615 179.116 177.584 -0.139 0.000 1.254 400 A CA 0.969 52.939 52.037 -0.111 0.000 0.914 400 A CB -0.558 18.394 19.000 -0.081 0.000 0.998 400 A HN 1.849 nan 8.150 nan 0.000 0.515 401 G N -0.976 107.698 108.800 -0.210 0.000 2.148 401 G HA2 -0.093 3.867 3.960 0.000 0.000 0.254 401 G HA3 -0.093 3.867 3.960 0.000 0.000 0.254 401 G C 0.680 175.446 174.900 -0.223 0.000 0.981 401 G CA 0.215 45.192 45.100 -0.204 0.000 0.670 401 G HN 1.464 nan 8.290 nan 0.000 0.528 402 G N 0.320 108.980 108.800 -0.234 0.000 2.365 402 G HA2 0.564 4.524 3.960 0.000 0.000 0.293 402 G HA3 0.564 4.524 3.960 0.000 0.000 0.293 402 G C 0.549 175.303 174.900 -0.244 0.000 1.128 402 G CA -0.527 44.449 45.100 -0.207 0.000 0.971 402 G HN 0.611 nan 8.290 nan 0.000 0.422 403 L N 1.789 122.788 121.223 -0.374 0.000 2.467 403 L HA 0.415 4.756 4.340 0.000 0.000 0.270 403 L C 1.488 178.148 176.870 -0.350 0.000 1.205 403 L CA 0.847 55.414 54.840 -0.455 0.000 0.828 403 L CB 0.870 42.415 42.059 -0.857 0.000 1.101 403 L HN 0.819 nan 8.230 nan 0.000 0.479 404 G N 1.496 110.248 108.800 -0.078 0.000 2.154 404 G HA2 -0.298 3.662 3.960 0.000 0.000 0.186 404 G HA3 -0.298 3.662 3.960 0.000 0.000 0.186 404 G C 0.111 175.078 174.900 0.111 0.000 1.000 404 G CA 0.230 45.392 45.100 0.103 0.000 0.664 404 G HN 0.643 nan 8.290 nan 0.000 0.513 405 F N 1.456 121.373 119.950 -0.057 0.000 2.222 405 F HA 0.543 5.070 4.527 0.000 0.000 0.285 405 F C 2.534 178.322 175.800 -0.021 0.000 1.068 405 F CA 1.833 59.799 58.000 -0.057 0.000 1.265 405 F CB -0.561 38.369 39.000 -0.116 0.000 1.087 405 F HN 0.243 nan 8.300 nan 0.000 0.511 406 A N 1.532 124.275 122.820 -0.128 0.000 1.884 406 A HA -0.260 4.061 4.320 0.000 0.000 0.219 406 A C 2.332 179.833 177.584 -0.138 0.000 1.197 406 A CA 2.310 54.233 52.037 -0.190 0.000 0.637 406 A CB -1.544 17.500 19.000 0.073 0.000 0.827 406 A HN 0.613 nan 8.150 nan 0.000 0.450 407 L N 0.089 121.327 121.223 0.026 0.000 1.970 407 L HA -0.122 4.218 4.340 0.000 0.000 0.212 407 L C -0.276 176.666 176.870 0.120 0.000 1.071 407 L CA 2.284 57.228 54.840 0.174 0.000 0.751 407 L CB -0.820 41.320 42.059 0.135 0.000 0.889 407 L HN 0.307 nan 8.230 nan 0.000 0.432 408 P HA -0.126 nan 4.420 nan 0.000 0.217 408 P C 1.256 178.463 177.300 -0.156 0.000 1.151 408 P CA 1.867 64.942 63.100 -0.041 0.000 0.828 408 P CB -0.044 31.627 31.700 -0.048 0.000 0.788 409 A N 0.949 123.533 122.820 -0.393 0.000 1.933 409 A HA -0.062 4.259 4.320 0.000 0.000 0.218 409 A C 2.523 179.889 177.584 -0.363 0.000 1.175 409 A CA 2.117 53.815 52.037 -0.566 0.000 0.628 409 A CB -1.576 16.593 19.000 -1.384 0.000 0.814 409 A HN 0.226 nan 8.150 nan 0.000 0.444 410 A N -0.118 122.544 122.820 -0.265 0.000 1.978 410 A HA -0.089 4.232 4.320 0.000 0.000 0.220 410 A C 2.072 179.577 177.584 -0.131 0.000 1.170 410 A CA 1.525 53.448 52.037 -0.191 0.000 0.636 410 A CB -0.584 18.303 19.000 -0.188 0.000 0.810 410 A HN 0.533 nan 8.150 nan 0.000 0.448 411 I N -0.669 119.879 120.570 -0.036 0.000 2.286 411 I HA -0.142 4.028 4.170 0.000 0.000 0.245 411 I C 2.691 178.819 176.117 0.017 0.000 1.104 411 I CA 0.995 62.316 61.300 0.035 0.000 1.397 411 I CB -0.636 37.438 38.000 0.124 0.000 1.072 411 I HN 0.387 nan 8.210 nan 0.000 0.417 412 G N 0.721 109.503 108.800 -0.029 0.000 2.421 412 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 412 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 412 G C 1.725 176.658 174.900 0.055 0.000 1.171 412 G CA 0.790 45.903 45.100 0.022 0.000 0.775 412 G HN 0.208 nan 8.290 nan 0.000 0.543 413 V N 0.676 120.533 119.914 -0.094 0.000 2.287 413 V HA -0.243 3.877 4.120 0.000 0.000 0.248 413 V C 2.792 178.863 176.094 -0.038 0.000 1.053 413 V CA 2.329 64.557 62.300 -0.120 0.000 1.027 413 V CB -0.531 31.169 31.823 -0.206 0.000 0.646 413 V HN 0.428 nan 8.190 nan 0.000 0.447 414 Q N -0.259 119.518 119.800 -0.038 0.000 2.170 414 Q HA -0.202 4.138 4.340 0.000 0.000 0.203 414 Q C 1.900 177.921 176.000 0.035 0.000 0.976 414 Q CA 1.774 57.563 55.803 -0.022 0.000 0.858 414 Q CB -0.514 28.195 28.738 -0.049 0.000 0.907 414 Q HN 0.571 nan 8.270 nan 0.000 0.433 415 L N -0.459 120.821 121.223 0.096 0.000 2.156 415 L HA 0.109 4.449 4.340 0.000 0.000 0.208 415 L C 1.894 178.907 176.870 0.239 0.000 1.095 415 L CA 1.892 56.832 54.840 0.166 0.000 0.770 415 L CB -0.689 41.493 42.059 0.205 0.000 0.914 415 L HN 0.216 nan 8.230 nan 0.000 0.439 416 A N -1.575 121.362 122.820 0.195 0.000 1.975 416 A HA 0.044 4.364 4.320 0.000 0.000 0.215 416 A C 1.131 178.700 177.584 -0.025 0.000 1.170 416 A CA 0.697 52.730 52.037 -0.006 0.000 0.656 416 A CB -0.135 18.700 19.000 -0.274 0.000 0.821 416 A HN 0.392 nan 8.150 nan 0.000 0.449 417 E N -0.010 120.186 120.200 -0.007 0.000 3.167 417 E HA 0.157 4.507 4.350 0.000 0.000 0.212 417 E C -2.103 174.494 176.600 -0.006 0.000 1.143 417 E CA -1.685 54.707 56.400 -0.013 0.000 1.002 417 E CB 0.798 30.488 29.700 -0.017 0.000 1.315 417 E HN 0.409 nan 8.360 nan 0.000 0.422 418 P HA -0.135 nan 4.420 nan 0.000 0.221 418 P C 0.641 177.936 177.300 -0.008 0.000 1.145 418 P CA 1.008 64.111 63.100 0.005 0.000 0.795 418 P CB 0.608 32.318 31.700 0.017 0.000 0.775 419 E N -0.397 119.796 120.200 -0.012 0.000 2.479 419 E HA 0.092 4.442 4.350 0.000 0.000 0.193 419 E C 0.632 177.216 176.600 -0.027 0.000 1.049 419 E CA 0.194 56.584 56.400 -0.017 0.000 0.870 419 E CB 0.159 29.851 29.700 -0.014 0.000 0.944 419 E HN 0.420 nan 8.360 nan 0.000 0.492 420 R N 1.058 121.538 120.500 -0.034 0.000 2.437 420 R HA 0.251 4.591 4.340 0.000 0.000 0.310 420 R C -0.296 175.961 176.300 -0.072 0.000 0.955 420 R CA -0.838 55.232 56.100 -0.050 0.000 0.851 420 R CB 1.369 31.643 30.300 -0.044 0.000 1.161 420 R HN -0.162 nan 8.270 nan 0.000 0.446 421 Q N 2.424 122.169 119.800 -0.092 0.000 2.262 421 Q HA 0.102 4.442 4.340 0.000 0.000 0.272 421 Q C -0.878 175.019 176.000 -0.172 0.000 1.076 421 Q CA 0.193 55.925 55.803 -0.119 0.000 0.905 421 Q CB 0.843 29.511 28.738 -0.116 0.000 1.182 421 Q HN 0.391 nan 8.270 nan 0.000 0.390 422 V N 6.819 126.632 119.914 -0.168 0.000 2.465 422 V HA 0.405 4.525 4.120 0.000 0.000 0.279 422 V C 0.138 176.086 176.094 -0.244 0.000 1.045 422 V CA -0.406 61.775 62.300 -0.199 0.000 0.938 422 V CB 1.056 32.776 31.823 -0.170 0.000 0.986 422 V HN 0.720 nan 8.190 nan 0.000 0.467 423 I N 4.258 124.678 120.570 -0.251 0.000 2.468 423 I HA 0.583 4.754 4.170 0.000 0.000 0.284 423 I C 0.096 176.183 176.117 -0.050 0.000 1.038 423 I CA -0.507 60.688 61.300 -0.175 0.000 1.083 423 I CB 1.733 39.642 38.000 -0.151 0.000 1.223 423 I HN 0.639 nan 8.210 nan 0.000 0.443 424 A N 6.725 129.490 122.820 -0.092 0.000 2.249 424 A HA 0.667 4.987 4.320 0.000 0.000 0.314 424 A C -0.359 177.292 177.584 0.112 0.000 1.290 424 A CA -0.436 51.611 52.037 0.017 0.000 0.893 424 A CB 0.712 19.691 19.000 -0.035 0.000 1.165 424 A HN 0.457 nan 8.150 nan 0.000 0.530 425 V N 5.125 125.148 119.914 0.182 0.000 2.348 425 V HA 0.320 4.440 4.120 0.000 0.000 0.270 425 V C -0.110 176.094 176.094 0.182 0.000 1.037 425 V CA 0.183 62.598 62.300 0.191 0.000 0.872 425 V CB 0.055 32.052 31.823 0.291 0.000 1.002 425 V HN 0.703 nan 8.190 nan 0.000 0.464 426 I N 3.626 124.277 120.570 0.136 0.000 2.509 426 I HA 0.579 4.749 4.170 0.000 0.000 0.293 426 I C 0.959 177.118 176.117 0.070 0.000 1.020 426 I CA -0.568 60.809 61.300 0.129 0.000 1.088 426 I CB 1.980 40.063 38.000 0.138 0.000 1.267 426 I HN 0.639 nan 8.210 nan 0.000 0.430 427 G N 2.769 111.637 108.800 0.113 0.000 2.544 427 G HA2 0.045 4.005 3.960 0.000 0.000 0.242 427 G HA3 0.045 4.005 3.960 0.000 0.000 0.242 427 G C 0.849 175.775 174.900 0.043 0.000 1.247 427 G CA -0.284 44.873 45.100 0.095 0.000 0.840 427 G HN 0.852 nan 8.290 nan 0.000 0.578 428 D N 0.753 121.146 120.400 -0.013 0.000 2.218 428 D HA -0.108 4.532 4.640 0.000 0.000 0.204 428 D C 2.001 178.478 176.300 0.296 0.000 0.976 428 D CA 1.323 55.295 54.000 -0.047 0.000 0.853 428 D CB -0.547 40.296 40.800 0.072 0.000 0.939 428 D HN 0.457 nan 8.370 nan 0.000 0.481 429 G N 0.333 109.328 108.800 0.325 0.000 2.395 429 G HA2 -0.164 3.796 3.960 0.000 0.000 0.214 429 G HA3 -0.164 3.796 3.960 0.000 0.000 0.214 429 G C 1.854 177.085 174.900 0.551 0.000 1.177 429 G CA 0.699 46.098 45.100 0.498 0.000 0.794 429 G HN 0.320 nan 8.290 nan 0.000 0.532 430 S N 1.237 117.221 115.700 0.472 0.000 2.383 430 S HA -0.058 4.412 4.470 0.000 0.000 0.229 430 S C 2.744 177.612 174.600 0.447 0.000 1.030 430 S CA 1.153 59.636 58.200 0.473 0.000 1.002 430 S CB -0.376 62.973 63.200 0.249 0.000 0.829 430 S HN 0.570 nan 8.310 nan 0.000 0.467 431 A N 2.565 125.571 122.820 0.309 0.000 2.032 431 A HA -0.193 4.127 4.320 0.000 0.000 0.221 431 A C 1.890 179.652 177.584 0.297 0.000 1.165 431 A CA 1.523 53.719 52.037 0.265 0.000 0.645 431 A CB -0.571 18.546 19.000 0.195 0.000 0.807 431 A HN 0.512 nan 8.150 nan 0.000 0.453 432 N N -1.194 117.683 118.700 0.296 0.000 2.216 432 N HA -0.143 4.597 4.740 0.000 0.000 0.183 432 N C 1.524 177.079 175.510 0.075 0.000 1.017 432 N CA 1.533 54.669 53.050 0.142 0.000 0.861 432 N CB -0.537 37.967 38.487 0.027 0.000 0.986 432 N HN 0.640 nan 8.380 nan 0.000 0.428 433 Y N 1.533 121.913 120.300 0.132 0.000 2.096 433 Y HA -0.142 4.408 4.550 0.000 0.000 0.278 433 Y C 1.651 177.595 175.900 0.074 0.000 1.192 433 Y CA 1.207 59.365 58.100 0.097 0.000 1.143 433 Y CB -0.264 38.248 38.460 0.088 0.000 0.963 433 Y HN -0.045 nan 8.280 nan 0.000 0.505 434 S N -0.839 114.996 115.700 0.226 0.000 2.751 434 S HA 0.142 4.612 4.470 0.000 0.000 0.247 434 S C 1.174 175.818 174.600 0.074 0.000 1.103 434 S CA -0.342 57.932 58.200 0.123 0.000 1.090 434 S CB -0.074 63.188 63.200 0.104 0.000 0.928 434 S HN 0.234 nan 8.310 nan 0.000 0.502 435 I N 2.981 123.607 120.570 0.094 0.000 2.248 435 I HA -0.226 3.944 4.170 0.000 0.000 0.248 435 I C 2.345 178.461 176.117 -0.001 0.000 1.107 435 I CA 1.873 63.226 61.300 0.089 0.000 1.373 435 I CB -0.335 37.758 38.000 0.155 0.000 1.055 435 I HN 0.472 nan 8.210 nan 0.000 0.418 436 S N 0.578 116.235 115.700 -0.072 0.000 2.469 436 S HA -0.069 4.402 4.470 0.000 0.000 0.238 436 S C 2.182 176.550 174.600 -0.388 0.000 0.998 436 S CA 0.674 58.614 58.200 -0.434 0.000 0.957 436 S CB -0.984 62.062 63.200 -0.257 0.000 0.764 436 S HN 0.518 nan 8.310 nan 0.000 0.514 437 A N 2.254 124.984 122.820 -0.151 0.000 1.978 437 A HA 0.066 4.387 4.320 0.000 0.000 0.220 437 A C 2.185 179.733 177.584 -0.061 0.000 1.170 437 A CA 1.341 53.345 52.037 -0.055 0.000 0.636 437 A CB -0.887 18.109 19.000 -0.006 0.000 0.810 437 A HN 0.571 nan 8.150 nan 0.000 0.448 438 L N -2.560 118.563 121.223 -0.167 0.000 2.089 438 L HA -0.278 4.062 4.340 0.000 0.000 0.213 438 L C 2.461 179.324 176.870 -0.013 0.000 1.079 438 L CA 1.957 56.700 54.840 -0.162 0.000 0.758 438 L CB -0.549 41.433 42.059 -0.130 0.000 0.891 438 L HN 0.767 nan 8.230 nan 0.000 0.433 439 W N 0.938 122.070 121.300 -0.280 0.000 2.321 439 W HA -0.256 4.404 4.660 0.000 0.000 0.306 439 W C 2.590 179.093 176.519 -0.026 0.000 1.217 439 W CA 2.333 59.596 57.345 -0.137 0.000 1.257 439 W CB -0.413 28.881 29.460 -0.278 0.000 1.145 439 W HN -0.005 nan 8.180 nan 0.000 0.509 440 T N 0.377 115.021 114.554 0.149 0.000 2.746 440 T HA -0.209 4.141 4.350 0.000 0.000 0.267 440 T C 1.936 176.686 174.700 0.083 0.000 1.039 440 T CA 1.967 64.152 62.100 0.141 0.000 1.142 440 T CB -0.917 68.122 68.868 0.286 0.000 0.866 440 T HN 0.264 nan 8.240 nan 0.000 0.444 441 A N 1.422 124.295 122.820 0.087 0.000 1.902 441 A HA 0.130 4.450 4.320 0.000 0.000 0.217 441 A C 2.630 180.222 177.584 0.014 0.000 1.181 441 A CA 1.886 53.995 52.037 0.120 0.000 0.623 441 A CB -1.104 18.042 19.000 0.243 0.000 0.818 441 A HN 0.512 nan 8.150 nan 0.000 0.443 442 A N -1.239 121.527 122.820 -0.091 0.000 1.855 442 A HA -0.171 4.149 4.320 0.000 0.000 0.215 442 A C 2.142 179.536 177.584 -0.316 0.000 1.191 442 A CA 1.645 53.583 52.037 -0.166 0.000 0.613 442 A CB -0.574 18.320 19.000 -0.177 0.000 0.829 442 A HN 0.463 nan 8.150 nan 0.000 0.442 443 Q N -1.031 118.395 119.800 -0.625 0.000 2.077 443 Q HA -0.188 4.152 4.340 0.000 0.000 0.206 443 Q C 1.212 176.797 176.000 -0.692 0.000 0.989 443 Q CA 1.731 57.022 55.803 -0.853 0.000 0.853 443 Q CB -0.428 27.417 28.738 -1.488 0.000 0.907 443 Q HN 0.867 nan 8.270 nan 0.000 0.418 444 Y N -0.049 120.125 120.300 -0.211 0.000 2.493 444 Y HA 0.137 4.687 4.550 0.000 0.000 0.275 444 Y C 0.342 176.198 175.900 -0.073 0.000 1.183 444 Y CA -0.446 57.586 58.100 -0.114 0.000 1.258 444 Y CB -0.360 38.050 38.460 -0.083 0.000 1.108 444 Y HN 0.157 nan 8.280 nan 0.000 0.521 445 N N 1.460 120.156 118.700 -0.008 0.000 2.686 445 N HA -0.231 4.509 4.740 0.000 0.000 0.261 445 N C -1.096 174.442 175.510 0.047 0.000 1.001 445 N CA 0.295 53.350 53.050 0.007 0.000 0.764 445 N CB -1.075 37.407 38.487 -0.007 0.000 0.898 445 N HN 0.407 nan 8.380 nan 0.000 0.544 446 I N 1.506 122.119 120.570 0.072 0.000 2.287 446 I HA 0.198 4.369 4.170 0.000 0.000 0.290 446 I C -1.265 174.883 176.117 0.051 0.000 1.069 446 I CA -2.020 59.320 61.300 0.068 0.000 1.237 446 I CB 1.157 39.212 38.000 0.092 0.000 1.418 446 I HN 0.131 nan 8.210 nan 0.000 0.481 447 P HA -0.069 nan 4.420 nan 0.000 0.311 447 P C 0.145 177.412 177.300 -0.055 0.000 1.543 447 P CA 0.225 63.325 63.100 -0.001 0.000 0.766 447 P CB -0.710 30.985 31.700 -0.009 0.000 1.711 448 T N 1.268 115.768 114.554 -0.090 0.000 2.918 448 T HA 0.242 4.592 4.350 0.000 0.000 0.302 448 T C 0.759 175.207 174.700 -0.421 0.000 1.045 448 T CA 0.253 62.162 62.100 -0.318 0.000 1.114 448 T CB 0.682 69.244 68.868 -0.510 0.000 0.965 448 T HN 0.063 nan 8.240 nan 0.000 0.540 449 I N 3.200 123.490 120.570 -0.467 0.000 2.339 449 I HA 0.351 4.521 4.170 0.000 0.000 0.290 449 I C -0.874 174.990 176.117 -0.422 0.000 0.994 449 I CA -0.653 60.473 61.300 -0.290 0.000 1.191 449 I CB 0.927 38.848 38.000 -0.132 0.000 1.343 449 I HN 0.509 nan 8.210 nan 0.000 0.458 450 F N 5.971 125.935 119.950 0.024 0.000 2.388 450 F HA 0.381 4.908 4.527 0.000 0.000 0.358 450 F C 0.086 175.896 175.800 0.016 0.000 1.122 450 F CA -0.879 57.136 58.000 0.026 0.000 1.056 450 F CB 1.279 40.300 39.000 0.035 0.000 1.155 450 F HN 0.013 nan 8.300 nan 0.000 0.461 451 V N 5.655 125.656 119.914 0.144 0.000 2.304 451 V HA 0.263 4.383 4.120 0.000 0.000 0.269 451 V C 0.096 176.212 176.094 0.036 0.000 1.036 451 V CA -0.561 61.784 62.300 0.075 0.000 0.840 451 V CB 0.561 32.415 31.823 0.052 0.000 1.036 451 V HN 0.425 nan 8.190 nan 0.000 0.466 452 I N 6.054 126.605 120.570 -0.031 0.000 2.337 452 I HA 0.290 4.460 4.170 0.000 0.000 0.291 452 I C 0.297 176.316 176.117 -0.163 0.000 1.046 452 I CA -0.298 60.899 61.300 -0.171 0.000 1.324 452 I CB 1.203 38.934 38.000 -0.449 0.000 1.409 452 I HN 0.439 nan 8.210 nan 0.000 0.494 453 M N 5.881 125.414 119.600 -0.113 0.000 2.264 453 M HA 0.140 4.620 4.480 0.000 0.000 0.340 453 M C 0.169 176.420 176.300 -0.081 0.000 1.420 453 M CA -0.024 55.229 55.300 -0.078 0.000 1.254 453 M CB -0.582 32.001 32.600 -0.029 0.000 1.575 453 M HN 0.358 nan 8.290 nan 0.000 0.452 454 N N 3.814 122.469 118.700 -0.075 0.000 2.527 454 N HA 0.165 4.905 4.740 0.000 0.000 0.236 454 N C -0.110 175.415 175.510 0.025 0.000 0.999 454 N CA -0.091 52.947 53.050 -0.019 0.000 0.935 454 N CB 0.472 38.972 38.487 0.023 0.000 1.132 454 N HN 0.490 nan 8.380 nan 0.000 0.511 455 N N 2.028 120.756 118.700 0.046 0.000 2.200 455 N HA 0.163 4.903 4.740 0.000 0.000 0.224 455 N C 0.890 176.435 175.510 0.057 0.000 1.179 455 N CA 0.049 53.127 53.050 0.046 0.000 0.877 455 N CB 0.042 38.558 38.487 0.049 0.000 1.072 455 N HN 0.455 nan 8.380 nan 0.000 0.519 456 G N -0.919 107.924 108.800 0.072 0.000 2.233 456 G HA2 -0.264 3.696 3.960 0.000 0.000 0.270 456 G HA3 -0.264 3.696 3.960 0.000 0.000 0.270 456 G C -0.007 174.901 174.900 0.014 0.000 1.011 456 G CA 1.062 46.194 45.100 0.054 0.000 0.762 456 G HN 0.805 nan 8.290 nan 0.000 0.511 457 T N -2.000 112.573 114.554 0.032 0.000 2.802 457 T HA 0.501 4.851 4.350 0.000 0.000 0.311 457 T C -0.568 174.207 174.700 0.125 0.000 1.405 457 T CA -0.631 61.478 62.100 0.015 0.000 1.016 457 T CB 0.889 69.800 68.868 0.071 0.000 1.352 457 T HN 0.242 nan 8.240 nan 0.000 0.498 458 Y N 2.570 122.955 120.300 0.142 0.000 2.623 458 Y HA 0.236 4.786 4.550 0.000 0.000 0.341 458 Y C 1.894 177.897 175.900 0.171 0.000 1.292 458 Y CA -0.541 57.658 58.100 0.165 0.000 1.840 458 Y CB -0.007 38.556 38.460 0.171 0.000 1.865 458 Y HN 0.961 nan 8.280 nan 0.000 0.440 459 G N 1.533 110.515 108.800 0.304 0.000 2.599 459 G HA2 -0.436 3.524 3.960 0.000 0.000 0.219 459 G HA3 -0.436 3.524 3.960 0.000 0.000 0.219 459 G C 1.845 176.911 174.900 0.276 0.000 1.193 459 G CA 1.188 46.435 45.100 0.246 0.000 0.778 459 G HN 0.648 nan 8.290 nan 0.000 0.589 460 A N 0.277 123.250 122.820 0.254 0.000 1.948 460 A HA -0.021 4.300 4.320 0.000 0.000 0.220 460 A C 2.486 180.272 177.584 0.336 0.000 1.177 460 A CA 1.698 53.891 52.037 0.261 0.000 0.636 460 A CB -0.387 18.737 19.000 0.206 0.000 0.815 460 A HN 0.413 nan 8.150 nan 0.000 0.449 461 L N -1.735 119.677 121.223 0.314 0.000 2.109 461 L HA -0.108 4.232 4.340 0.000 0.000 0.207 461 L C 2.832 179.897 176.870 0.325 0.000 1.086 461 L CA 1.084 56.120 54.840 0.326 0.000 0.760 461 L CB -0.493 41.734 42.059 0.280 0.000 0.910 461 L HN 0.371 nan 8.230 nan 0.000 0.437 462 R N -0.681 120.006 120.500 0.312 0.000 2.092 462 R HA -0.193 4.147 4.340 0.000 0.000 0.231 462 R C 2.143 178.625 176.300 0.305 0.000 1.119 462 R CA 1.529 57.786 56.100 0.262 0.000 0.970 462 R CB -0.346 30.100 30.300 0.244 0.000 0.864 462 R HN 0.511 nan 8.270 nan 0.000 0.440 463 W N 0.858 122.254 121.300 0.160 0.000 2.322 463 W HA -0.297 4.363 4.660 0.000 0.000 0.326 463 W C 1.839 178.479 176.519 0.203 0.000 1.224 463 W CA 1.304 58.742 57.345 0.154 0.000 1.257 463 W CB -0.778 28.771 29.460 0.148 0.000 1.174 463 W HN 0.037 nan 8.180 nan 0.000 0.460 464 F N 1.649 121.683 119.950 0.141 0.000 2.111 464 F HA -0.360 4.167 4.527 0.000 0.000 0.300 464 F C 2.477 178.239 175.800 -0.064 0.000 1.088 464 F CA 2.387 60.378 58.000 -0.015 0.000 1.243 464 F CB -0.545 38.507 39.000 0.086 0.000 0.996 464 F HN -0.010 nan 8.300 nan 0.000 0.483 465 A N 0.391 123.201 122.820 -0.018 0.000 1.917 465 A HA -0.219 4.101 4.320 0.000 0.000 0.219 465 A C 2.391 179.858 177.584 -0.195 0.000 1.182 465 A CA 1.989 53.941 52.037 -0.140 0.000 0.633 465 A CB -1.839 17.159 19.000 -0.003 0.000 0.819 465 A HN 0.538 nan 8.150 nan 0.000 0.448 466 G N -0.343 108.350 108.800 -0.178 0.000 2.418 466 G HA2 -0.153 3.807 3.960 0.000 0.000 0.217 466 G HA3 -0.153 3.807 3.960 0.000 0.000 0.217 466 G C 1.680 176.398 174.900 -0.302 0.000 1.158 466 G CA 2.202 47.157 45.100 -0.242 0.000 0.771 466 G HN 1.105 nan 8.290 nan 0.000 0.545 467 V N 0.239 119.934 119.914 -0.366 0.000 2.237 467 V HA -0.093 4.027 4.120 0.000 0.000 0.245 467 V C 2.681 178.629 176.094 -0.244 0.000 1.046 467 V CA 1.886 64.021 62.300 -0.276 0.000 1.007 467 V CB -0.856 30.882 31.823 -0.142 0.000 0.638 467 V HN 0.304 nan 8.190 nan 0.000 0.445 468 L N 0.192 121.192 121.223 -0.372 0.000 2.549 468 L HA -0.014 4.326 4.340 0.000 0.000 0.230 468 L C 1.733 178.474 176.870 -0.214 0.000 1.162 468 L CA 1.446 56.084 54.840 -0.336 0.000 0.834 468 L CB -1.385 40.365 42.059 -0.514 0.000 0.947 468 L HN 0.532 nan 8.230 nan 0.000 0.452 469 E N -0.801 119.284 120.200 -0.193 0.000 2.735 469 E HA -0.259 4.092 4.350 0.000 0.000 0.261 469 E C 0.595 177.126 176.600 -0.116 0.000 1.137 469 E CA 0.299 56.620 56.400 -0.133 0.000 0.754 469 E CB -0.901 28.738 29.700 -0.101 0.000 1.352 469 E HN 0.611 nan 8.360 nan 0.000 0.430 470 A N 1.356 124.086 122.820 -0.150 0.000 2.492 470 A HA 0.198 4.518 4.320 0.000 0.000 0.254 470 A C 0.364 177.904 177.584 -0.073 0.000 1.091 470 A CA 0.428 52.395 52.037 -0.118 0.000 0.768 470 A CB 0.299 19.204 19.000 -0.158 0.000 1.028 470 A HN 0.213 nan 8.150 nan 0.000 0.498 471 E N 1.826 121.998 120.200 -0.048 0.000 2.299 471 E HA 0.406 4.756 4.350 0.000 0.000 0.265 471 E C -0.559 176.033 176.600 -0.012 0.000 0.911 471 E CA -1.227 55.158 56.400 -0.025 0.000 0.789 471 E CB 1.048 30.734 29.700 -0.023 0.000 1.246 471 E HN 0.678 nan 8.360 nan 0.000 0.427 472 N N -0.288 118.412 118.700 0.001 0.000 2.780 472 N HA -0.134 4.606 4.740 0.000 0.000 0.248 472 N C -0.991 174.529 175.510 0.016 0.000 1.102 472 N CA 0.359 53.414 53.050 0.009 0.000 0.697 472 N CB -1.290 37.199 38.487 0.004 0.000 1.028 472 N HN 0.166 nan 8.380 nan 0.000 0.554 473 V N 2.233 122.160 119.914 0.023 0.000 2.408 473 V HA 0.303 4.423 4.120 0.000 0.000 0.267 473 V C -0.831 175.297 176.094 0.056 0.000 1.047 473 V CA -0.832 61.491 62.300 0.038 0.000 0.937 473 V CB 1.224 33.073 31.823 0.044 0.000 0.999 473 V HN 0.130 nan 8.190 nan 0.000 0.472 474 P HA 0.298 nan 4.420 nan 0.000 0.277 474 P C 0.648 178.005 177.300 0.095 0.000 1.271 474 P CA 0.238 63.376 63.100 0.064 0.000 0.795 474 P CB 0.813 32.544 31.700 0.051 0.000 1.101 475 G N 0.063 108.917 108.800 0.090 0.000 2.341 475 G HA2 -0.238 3.723 3.960 0.000 0.000 0.292 475 G HA3 -0.238 3.723 3.960 0.000 0.000 0.292 475 G C 0.529 175.549 174.900 0.199 0.000 1.021 475 G CA 0.470 45.644 45.100 0.124 0.000 0.905 475 G HN 0.485 nan 8.290 nan 0.000 0.508 476 L N -1.075 120.240 121.223 0.154 0.000 2.554 476 L HA 0.252 4.592 4.340 0.000 0.000 0.225 476 L C 0.375 177.266 176.870 0.035 0.000 1.104 476 L CA 0.085 55.057 54.840 0.220 0.000 0.866 476 L CB 0.086 42.260 42.059 0.192 0.000 1.047 476 L HN 0.136 nan 8.230 nan 0.000 0.468 477 D N 0.481 120.847 120.400 -0.057 0.000 2.248 477 D HA 0.326 4.966 4.640 0.000 0.000 0.246 477 D C -0.030 176.137 176.300 -0.222 0.000 1.027 477 D CA -0.075 53.851 54.000 -0.124 0.000 0.853 477 D CB 3.042 43.820 40.800 -0.038 0.000 1.243 477 D HN -0.195 nan 8.370 nan 0.000 0.462 478 V N -0.704 119.065 119.914 -0.242 0.000 2.468 478 V HA 0.353 4.473 4.120 0.000 0.000 0.256 478 V C -2.510 173.534 176.094 -0.083 0.000 0.998 478 V CA -1.364 60.813 62.300 -0.206 0.000 1.114 478 V CB 0.468 32.105 31.823 -0.309 0.000 1.378 478 V HN 0.316 nan 8.190 nan 0.000 0.573 479 P HA 0.443 nan 4.420 nan 0.000 0.276 479 P C 0.819 178.095 177.300 -0.041 0.000 1.261 479 P CA 0.950 64.034 63.100 -0.027 0.000 0.800 479 P CB 1.401 33.088 31.700 -0.021 0.000 1.066 480 G N 0.052 108.830 108.800 -0.036 0.000 2.182 480 G HA2 -0.187 3.773 3.960 0.000 0.000 0.248 480 G HA3 -0.187 3.773 3.960 0.000 0.000 0.248 480 G C -0.164 174.667 174.900 -0.114 0.000 1.042 480 G CA -0.134 44.929 45.100 -0.061 0.000 0.775 480 G HN 0.489 nan 8.290 nan 0.000 0.501 481 I N 0.555 121.033 120.570 -0.154 0.000 2.389 481 I HA 0.295 4.465 4.170 0.000 0.000 0.288 481 I C -0.724 175.130 176.117 -0.439 0.000 0.999 481 I CA -0.821 60.258 61.300 -0.368 0.000 1.129 481 I CB 1.796 39.461 38.000 -0.558 0.000 1.288 481 I HN 0.018 nan 8.210 nan 0.000 0.444 482 D N 6.411 126.585 120.400 -0.377 0.000 2.456 482 D HA 0.207 4.848 4.640 0.000 0.000 0.219 482 D C 0.580 176.715 176.300 -0.274 0.000 1.126 482 D CA -0.281 53.589 54.000 -0.218 0.000 0.890 482 D CB 0.595 41.326 40.800 -0.116 0.000 1.025 482 D HN 0.298 nan 8.370 nan 0.000 0.511 483 F N 2.032 121.989 119.950 0.011 0.000 2.293 483 F HA 0.018 4.545 4.527 0.000 0.000 0.300 483 F C 2.367 178.176 175.800 0.014 0.000 1.086 483 F CA 0.485 58.495 58.000 0.017 0.000 1.375 483 F CB 0.022 39.041 39.000 0.031 0.000 1.045 483 F HN 0.233 nan 8.300 nan 0.000 0.516 484 R N 0.181 120.772 120.500 0.153 0.000 2.092 484 R HA -0.071 4.269 4.340 0.000 0.000 0.231 484 R C 2.474 178.799 176.300 0.041 0.000 1.119 484 R CA 1.130 57.287 56.100 0.095 0.000 0.970 484 R CB -0.662 29.682 30.300 0.073 0.000 0.864 484 R HN 0.261 nan 8.270 nan 0.000 0.440 485 A N 0.953 123.773 122.820 0.001 0.000 1.898 485 A HA -0.110 4.210 4.320 0.000 0.000 0.216 485 A C 2.115 179.665 177.584 -0.056 0.000 1.181 485 A CA 1.092 53.107 52.037 -0.038 0.000 0.620 485 A CB -0.516 18.444 19.000 -0.067 0.000 0.819 485 A HN 0.178 nan 8.150 nan 0.000 0.442 486 L N -0.778 120.412 121.223 -0.055 0.000 2.046 486 L HA -0.211 4.130 4.340 0.000 0.000 0.208 486 L C 3.120 180.000 176.870 0.017 0.000 1.077 486 L CA 1.093 55.905 54.840 -0.047 0.000 0.747 486 L CB -0.601 41.453 42.059 -0.008 0.000 0.896 486 L HN 0.452 nan 8.230 nan 0.000 0.432 487 A N 0.156 123.015 122.820 0.065 0.000 1.902 487 A HA -0.266 4.054 4.320 0.000 0.000 0.217 487 A C 2.409 180.030 177.584 0.062 0.000 1.181 487 A CA 2.036 54.123 52.037 0.083 0.000 0.623 487 A CB -0.480 18.570 19.000 0.084 0.000 0.818 487 A HN 0.346 nan 8.150 nan 0.000 0.443 488 K N -0.560 119.854 120.400 0.023 0.000 2.057 488 K HA -0.119 4.201 4.320 0.000 0.000 0.207 488 K C 2.022 178.606 176.600 -0.026 0.000 1.049 488 K CA 1.440 57.731 56.287 0.006 0.000 0.931 488 K CB -0.600 31.895 32.500 -0.008 0.000 0.714 488 K HN 0.378 nan 8.250 nan 0.000 0.440 489 G N -0.221 108.514 108.800 -0.108 0.000 2.475 489 G HA2 -0.250 3.710 3.960 0.000 0.000 0.220 489 G HA3 -0.250 3.710 3.960 0.000 0.000 0.220 489 G C 0.857 175.589 174.900 -0.281 0.000 1.125 489 G CA 0.945 45.889 45.100 -0.260 0.000 0.755 489 G HN 0.454 nan 8.290 nan 0.000 0.565 490 Y N -0.040 120.316 120.300 0.093 0.000 2.607 490 Y HA 0.374 4.924 4.550 0.000 0.000 0.266 490 Y C 1.766 177.743 175.900 0.128 0.000 1.178 490 Y CA -0.217 57.996 58.100 0.188 0.000 1.226 490 Y CB 0.702 39.275 38.460 0.188 0.000 1.144 490 Y HN 0.262 nan 8.280 nan 0.000 0.528 491 G N 0.920 109.822 108.800 0.170 0.000 2.198 491 G HA2 -0.251 3.709 3.960 0.000 0.000 0.257 491 G HA3 -0.251 3.709 3.960 0.000 0.000 0.257 491 G C -0.487 174.451 174.900 0.063 0.000 1.042 491 G CA 0.189 45.342 45.100 0.089 0.000 0.791 491 G HN 0.144 nan 8.290 nan 0.000 0.502 492 V N 0.485 120.448 119.914 0.082 0.000 2.459 492 V HA 0.415 4.535 4.120 0.000 0.000 0.295 492 V C 0.834 176.971 176.094 0.073 0.000 1.029 492 V CA -0.745 61.601 62.300 0.077 0.000 0.874 492 V CB 1.887 33.760 31.823 0.082 0.000 0.985 492 V HN 0.512 nan 8.190 nan 0.000 0.438 493 Q N 2.529 122.372 119.800 0.071 0.000 2.286 493 Q HA 0.379 4.719 4.340 0.000 0.000 0.290 493 Q C -0.174 175.873 176.000 0.078 0.000 1.049 493 Q CA 0.152 55.993 55.803 0.063 0.000 0.923 493 Q CB 0.768 29.540 28.738 0.057 0.000 1.183 493 Q HN 0.941 nan 8.270 nan 0.000 0.383 494 A N 4.936 127.796 122.820 0.067 0.000 2.374 494 A HA 0.795 5.115 4.320 0.000 0.000 0.317 494 A C -1.311 176.311 177.584 0.064 0.000 1.094 494 A CA -0.701 51.382 52.037 0.076 0.000 0.765 494 A CB 1.135 20.181 19.000 0.076 0.000 1.268 494 A HN 0.741 nan 8.150 nan 0.000 0.438 495 L N 0.547 121.812 121.223 0.069 0.000 2.376 495 L HA 0.670 5.010 4.340 0.000 0.000 0.258 495 L C -0.522 176.381 176.870 0.056 0.000 1.013 495 L CA -1.031 53.842 54.840 0.054 0.000 0.822 495 L CB 2.521 44.609 42.059 0.048 0.000 1.388 495 L HN 0.716 nan 8.230 nan 0.000 0.413 496 K N 1.268 121.695 120.400 0.044 0.000 2.316 496 K HA 0.828 5.148 4.320 0.000 0.000 0.251 496 K C -1.314 175.304 176.600 0.029 0.000 0.934 496 K CA -0.290 56.022 56.287 0.043 0.000 0.802 496 K CB 2.165 34.690 32.500 0.042 0.000 1.171 496 K HN 0.631 nan 8.250 nan 0.000 0.426 497 A N 3.722 126.556 122.820 0.023 0.000 2.522 497 A HA 0.335 4.655 4.320 0.000 0.000 0.285 497 A C -0.794 176.793 177.584 0.005 0.000 1.198 497 A CA -0.615 51.428 52.037 0.011 0.000 0.742 497 A CB 0.490 19.492 19.000 0.004 0.000 1.176 497 A HN 0.838 nan 8.150 nan 0.000 0.444 498 D N 1.039 121.443 120.400 0.005 0.000 2.360 498 D HA 0.058 4.698 4.640 0.000 0.000 0.210 498 D C 0.070 176.366 176.300 -0.007 0.000 1.047 498 D CA 0.881 54.881 54.000 0.000 0.000 0.854 498 D CB 0.425 41.228 40.800 0.006 0.000 0.936 498 D HN 0.790 nan 8.370 nan 0.000 0.514 499 N N -1.155 117.542 118.700 -0.005 0.000 3.020 499 N HA 0.060 4.800 4.740 0.000 0.000 0.248 499 N C 0.268 175.777 175.510 -0.002 0.000 1.480 499 N CA -0.739 52.308 53.050 -0.005 0.000 0.874 499 N CB 1.079 39.566 38.487 0.001 0.000 1.433 499 N HN -0.248 nan 8.380 nan 0.000 0.530 500 L N 0.006 121.230 121.223 0.002 0.000 2.043 500 L HA -0.032 4.308 4.340 0.000 0.000 0.212 500 L C 1.672 178.547 176.870 0.008 0.000 1.075 500 L CA 2.048 56.892 54.840 0.006 0.000 0.752 500 L CB -0.903 41.164 42.059 0.015 0.000 0.891 500 L HN 0.659 nan 8.230 nan 0.000 0.432 501 E N -0.401 119.805 120.200 0.009 0.000 2.077 501 E HA -0.236 4.114 4.350 0.000 0.000 0.193 501 E C 2.207 178.813 176.600 0.010 0.000 0.989 501 E CA 1.324 57.730 56.400 0.010 0.000 0.800 501 E CB -0.250 29.457 29.700 0.010 0.000 0.746 501 E HN 0.685 nan 8.360 nan 0.000 0.452 502 Q N 0.021 119.827 119.800 0.009 0.000 2.119 502 Q HA -0.121 4.219 4.340 0.000 0.000 0.201 502 Q C 2.259 178.265 176.000 0.010 0.000 0.972 502 Q CA 0.690 56.498 55.803 0.010 0.000 0.847 502 Q CB -0.134 28.609 28.738 0.010 0.000 0.903 502 Q HN 0.121 nan 8.270 nan 0.000 0.433 503 L N 1.404 122.630 121.223 0.006 0.000 1.989 503 L HA -0.225 4.115 4.340 0.000 0.000 0.211 503 L C 1.862 178.737 176.870 0.009 0.000 1.071 503 L CA 1.925 56.767 54.840 0.003 0.000 0.749 503 L CB -0.316 41.739 42.059 -0.006 0.000 0.890 503 L HN -0.004 nan 8.230 nan 0.000 0.431 504 K N -0.674 119.732 120.400 0.011 0.000 2.032 504 K HA -0.143 4.177 4.320 0.000 0.000 0.209 504 K C 2.003 178.611 176.600 0.014 0.000 1.048 504 K CA 1.382 57.677 56.287 0.014 0.000 0.927 504 K CB -0.841 31.668 32.500 0.014 0.000 0.712 504 K HN 0.581 nan 8.250 nan 0.000 0.441 505 G N 0.731 109.539 108.800 0.013 0.000 2.421 505 G HA2 -0.247 3.713 3.960 0.000 0.000 0.216 505 G HA3 -0.247 3.713 3.960 0.000 0.000 0.216 505 G C 1.554 176.463 174.900 0.016 0.000 1.171 505 G CA 0.994 46.102 45.100 0.014 0.000 0.775 505 G HN 0.198 nan 8.290 nan 0.000 0.543 506 S N 0.568 116.278 115.700 0.017 0.000 2.348 506 S HA -0.044 4.426 4.470 0.000 0.000 0.221 506 S C 2.313 176.926 174.600 0.022 0.000 1.033 506 S CA 0.965 59.178 58.200 0.022 0.000 1.010 506 S CB -0.369 62.845 63.200 0.023 0.000 0.891 506 S HN 0.292 nan 8.310 nan 0.000 0.442 507 L N 1.292 122.527 121.223 0.020 0.000 2.012 507 L HA -0.234 4.106 4.340 0.000 0.000 0.210 507 L C 2.901 179.781 176.870 0.016 0.000 1.073 507 L CA 1.651 56.503 54.840 0.020 0.000 0.748 507 L CB -0.527 41.545 42.059 0.023 0.000 0.891 507 L HN 0.418 nan 8.230 nan 0.000 0.431 508 Q N -0.039 119.770 119.800 0.015 0.000 2.096 508 Q HA -0.286 4.054 4.340 0.000 0.000 0.204 508 Q C 2.127 178.134 176.000 0.011 0.000 0.982 508 Q CA 1.997 57.807 55.803 0.012 0.000 0.850 508 Q CB -0.003 28.742 28.738 0.012 0.000 0.901 508 Q HN 0.472 nan 8.270 nan 0.000 0.422 509 E N -0.695 119.513 120.200 0.014 0.000 2.072 509 E HA -0.175 4.175 4.350 0.000 0.000 0.190 509 E C 1.840 178.449 176.600 0.015 0.000 0.982 509 E CA 0.844 57.252 56.400 0.014 0.000 0.803 509 E CB -0.126 29.585 29.700 0.018 0.000 0.755 509 E HN 0.470 nan 8.360 nan 0.000 0.453 510 A N 1.080 123.911 122.820 0.018 0.000 1.858 510 A HA -0.184 4.136 4.320 0.000 0.000 0.216 510 A C 2.076 179.662 177.584 0.004 0.000 1.190 510 A CA 1.091 53.139 52.037 0.018 0.000 0.617 510 A CB -0.682 18.331 19.000 0.022 0.000 0.827 510 A HN 0.283 nan 8.150 nan 0.000 0.443 511 L N 0.828 122.050 121.223 -0.001 0.000 2.043 511 L HA -0.191 4.149 4.340 0.000 0.000 0.212 511 L C 2.890 179.755 176.870 -0.009 0.000 1.075 511 L CA 2.622 57.456 54.840 -0.011 0.000 0.752 511 L CB -1.081 40.974 42.059 -0.007 0.000 0.891 511 L HN 0.629 nan 8.230 nan 0.000 0.432 512 S N -1.575 114.124 115.700 -0.002 0.000 2.527 512 S HA 0.250 4.720 4.470 0.000 0.000 0.222 512 S C 1.099 175.700 174.600 0.001 0.000 0.985 512 S CA 0.081 58.281 58.200 -0.001 0.000 0.921 512 S CB -0.425 62.776 63.200 0.002 0.000 0.772 512 S HN 0.297 nan 8.310 nan 0.000 0.529 513 A N 2.012 124.835 122.820 0.005 0.000 2.445 513 A HA 0.399 4.719 4.320 0.000 0.000 0.242 513 A C 1.125 178.712 177.584 0.006 0.000 1.075 513 A CA -0.408 51.634 52.037 0.009 0.000 0.777 513 A CB 0.331 19.342 19.000 0.018 0.000 1.013 513 A HN 0.248 nan 8.150 nan 0.000 0.493 514 K N 1.285 121.689 120.400 0.007 0.000 2.426 514 K HA 0.108 4.428 4.320 0.000 0.000 0.193 514 K C 0.916 177.521 176.600 0.008 0.000 1.028 514 K CA 0.940 57.229 56.287 0.005 0.000 1.047 514 K CB 0.199 32.701 32.500 0.003 0.000 0.821 514 K HN 0.757 nan 8.250 nan 0.000 0.513 515 G N 1.989 110.799 108.800 0.016 0.000 3.140 515 G HA2 0.408 4.369 3.960 0.000 0.000 0.271 515 G HA3 0.408 4.369 3.960 0.000 0.000 0.271 515 G C -2.914 172.013 174.900 0.045 0.000 1.370 515 G CA -1.296 43.819 45.100 0.025 0.000 1.014 515 G HN -0.206 nan 8.290 nan 0.000 0.541 516 P HA 0.367 nan 4.420 nan 0.000 0.271 516 P C -0.852 176.546 177.300 0.162 0.000 1.218 516 P CA -0.106 63.083 63.100 0.148 0.000 0.780 516 P CB 1.691 33.544 31.700 0.255 0.000 0.901 517 V N 3.569 123.602 119.914 0.199 0.000 2.808 517 V HA 0.375 4.495 4.120 0.000 0.000 0.308 517 V C -0.085 176.174 176.094 0.275 0.000 1.099 517 V CA -0.764 61.642 62.300 0.178 0.000 0.920 517 V CB 2.203 34.083 31.823 0.095 0.000 1.014 517 V HN 0.476 nan 8.190 nan 0.000 0.425 518 L N 5.503 126.864 121.223 0.230 0.000 2.322 518 L HA 0.722 5.062 4.340 0.000 0.000 0.281 518 L C -1.176 175.781 176.870 0.145 0.000 1.014 518 L CA -0.384 54.597 54.840 0.236 0.000 0.815 518 L CB 1.378 43.538 42.059 0.168 0.000 1.247 518 L HN 0.615 nan 8.230 nan 0.000 0.421 519 I N 4.543 125.186 120.570 0.123 0.000 2.410 519 I HA 0.315 4.485 4.170 0.000 0.000 0.286 519 I C -0.374 175.772 176.117 0.049 0.000 1.009 519 I CA -0.452 60.894 61.300 0.076 0.000 1.111 519 I CB 1.852 39.885 38.000 0.054 0.000 1.262 519 I HN 0.616 nan 8.210 nan 0.000 0.443 520 E N 6.363 126.595 120.200 0.054 0.000 2.105 520 E HA 0.359 4.709 4.350 0.000 0.000 0.285 520 E C -1.249 175.359 176.600 0.014 0.000 1.055 520 E CA -0.493 55.927 56.400 0.033 0.000 0.843 520 E CB 1.177 30.949 29.700 0.120 0.000 1.067 520 E HN 0.358 nan 8.360 nan 0.000 0.398 521 V N 3.831 123.731 119.914 -0.024 0.000 2.394 521 V HA 0.161 4.281 4.120 0.000 0.000 0.282 521 V C -0.012 176.065 176.094 -0.027 0.000 1.031 521 V CA -0.742 61.541 62.300 -0.028 0.000 0.881 521 V CB 1.678 33.469 31.823 -0.053 0.000 0.982 521 V HN 0.617 nan 8.190 nan 0.000 0.451 522 S N 3.835 119.525 115.700 -0.016 0.000 2.405 522 S HA 0.384 4.854 4.470 0.000 0.000 0.291 522 S C 0.506 175.082 174.600 -0.040 0.000 1.137 522 S CA -0.516 57.676 58.200 -0.014 0.000 1.061 522 S CB 0.341 63.538 63.200 -0.005 0.000 1.001 522 S HN 0.976 nan 8.310 nan 0.000 0.507 523 T N -0.555 113.974 114.554 -0.042 0.000 2.952 523 T HA 0.683 5.033 4.350 0.000 0.000 0.286 523 T C 0.329 174.990 174.700 -0.064 0.000 1.024 523 T CA -0.990 61.071 62.100 -0.065 0.000 1.029 523 T CB 0.945 69.781 68.868 -0.054 0.000 1.094 523 T HN 0.393 nan 8.240 nan 0.000 0.515 524 V N -0.787 119.063 119.914 -0.106 0.000 2.732 524 V HA 0.760 4.880 4.120 0.000 0.000 0.297 524 V C 0.932 177.018 176.094 -0.013 0.000 1.060 524 V CA -0.338 61.906 62.300 -0.093 0.000 1.038 524 V CB -0.479 31.220 31.823 -0.206 0.000 1.003 524 V HN 1.427 nan 8.190 nan 0.000 0.481 525 S N 0.000 115.709 115.700 0.015 0.000 2.498 525 S HA 0.000 4.470 4.470 0.000 0.000 0.327 525 S CA 0.000 58.232 58.200 0.054 0.000 1.107 525 S CB 0.000 63.237 63.200 0.062 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517