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_A 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 0.000 177.673 177.584 0.149 0.000 1.274 2 A CA 0.000 52.115 52.037 0.130 0.000 0.836 2 A CB 0.000 19.095 19.000 0.159 0.000 0.831 3 S N 0.360 116.169 115.700 0.182 0.000 2.672 3 S HA 0.539 5.004 4.470 -0.008 0.000 0.276 3 S C 1.110 175.875 174.600 0.276 0.000 1.207 3 S CA -0.012 58.318 58.200 0.217 0.000 1.002 3 S CB 1.213 64.558 63.200 0.241 0.000 0.998 3 S HN 1.413 nan 8.310 nan 0.000 0.542 4 V N 1.690 121.774 119.914 0.283 0.000 2.392 4 V HA -0.210 3.905 4.120 -0.008 0.000 0.249 4 V C 2.558 178.959 176.094 0.511 0.000 1.059 4 V CA 2.310 64.794 62.300 0.306 0.000 1.051 4 V CB -1.430 30.501 31.823 0.180 0.000 0.658 4 V HN 1.047 nan 8.190 nan 0.000 0.455 5 H N 0.853 120.239 119.070 0.527 0.000 2.253 5 H HA -0.167 4.384 4.556 -0.008 0.000 0.296 5 H C 2.329 177.897 175.328 0.400 0.000 1.074 5 H CA 2.361 58.738 56.048 0.548 0.000 1.263 5 H CB -0.572 29.416 29.762 0.377 0.000 1.363 5 H HN 0.400 nan 8.280 nan 0.000 0.489 6 G N -0.437 108.635 108.800 0.454 0.000 2.446 6 G HA2 -0.279 3.677 3.960 -0.008 0.000 0.217 6 G HA3 -0.279 3.677 3.960 -0.008 0.000 0.217 6 G C 1.823 176.861 174.900 0.230 0.000 1.168 6 G CA 1.586 46.864 45.100 0.297 0.000 0.771 6 G HN 0.483 nan 8.290 nan 0.000 0.551 7 T N 0.898 115.622 114.554 0.282 0.000 2.759 7 T HA -0.119 4.226 4.350 -0.008 0.000 0.269 7 T C 2.613 177.512 174.700 0.331 0.000 1.042 7 T CA 1.793 64.102 62.100 0.349 0.000 1.140 7 T CB -0.485 68.588 68.868 0.342 0.000 0.864 7 T HN 0.309 nan 8.240 nan 0.000 0.455 8 T N 0.823 115.540 114.554 0.272 0.000 2.737 8 T HA -0.060 4.286 4.350 -0.008 0.000 0.265 8 T C 1.638 176.335 174.700 -0.005 0.000 1.038 8 T CA 1.097 63.313 62.100 0.193 0.000 1.144 8 T CB -0.519 68.537 68.868 0.314 0.000 0.866 8 T HN 0.444 nan 8.240 nan 0.000 0.434 9 Y N 1.192 121.432 120.300 -0.100 0.000 2.274 9 Y HA -0.089 4.456 4.550 -0.007 0.000 0.290 9 Y C 2.639 178.471 175.900 -0.113 0.000 1.145 9 Y CA 1.126 59.051 58.100 -0.291 0.000 1.203 9 Y CB -0.113 37.996 38.460 -0.585 0.000 0.984 9 Y HN 0.176 nan 8.280 nan 0.000 0.533 10 E N 0.507 120.720 120.200 0.022 0.000 2.072 10 E HA -0.185 4.161 4.350 -0.008 0.000 0.191 10 E C 2.014 178.480 176.600 -0.224 0.000 0.985 10 E CA 0.964 57.247 56.400 -0.194 0.000 0.801 10 E CB -0.533 28.888 29.700 -0.465 0.000 0.750 10 E HN 0.345 nan 8.360 nan 0.000 0.452 11 L N 0.301 121.542 121.223 0.030 0.000 2.012 11 L HA -0.130 4.205 4.340 -0.008 0.000 0.210 11 L C 2.169 179.117 176.870 0.130 0.000 1.073 11 L CA 1.747 56.737 54.840 0.249 0.000 0.748 11 L CB -0.677 41.603 42.059 0.368 0.000 0.891 11 L HN 0.280 nan 8.230 nan 0.000 0.431 12 L N -0.318 120.963 121.223 0.096 0.000 1.989 12 L HA -0.252 4.083 4.340 -0.008 0.000 0.211 12 L C 2.909 179.852 176.870 0.122 0.000 1.071 12 L CA 2.123 57.023 54.840 0.101 0.000 0.749 12 L CB -0.730 41.367 42.059 0.063 0.000 0.890 12 L HN 0.428 nan 8.230 nan 0.000 0.431 13 R N -0.337 120.274 120.500 0.184 0.000 2.075 13 R HA -0.117 4.219 4.340 -0.008 0.000 0.232 13 R C 2.244 178.533 176.300 -0.019 0.000 1.126 13 R CA 0.857 56.971 56.100 0.022 0.000 0.963 13 R CB -0.501 29.837 30.300 0.063 0.000 0.858 13 R HN 0.188 nan 8.270 nan 0.000 0.435 14 R N 0.648 121.140 120.500 -0.012 0.000 2.193 14 R HA -0.013 4.322 4.340 -0.008 0.000 0.229 14 R C 1.447 177.779 176.300 0.053 0.000 1.110 14 R CA 0.893 56.996 56.100 0.006 0.000 0.988 14 R CB -0.127 30.172 30.300 -0.001 0.000 0.871 14 R HN 0.427 nan 8.270 nan 0.000 0.458 15 Q N -0.563 119.269 119.800 0.053 0.000 2.246 15 Q HA 0.150 4.485 4.340 -0.008 0.000 0.202 15 Q C 0.703 176.714 176.000 0.019 0.000 0.883 15 Q CA 0.400 56.230 55.803 0.044 0.000 0.952 15 Q CB 0.899 29.654 28.738 0.028 0.000 1.078 15 Q HN 0.531 nan 8.270 nan 0.000 0.493 16 G N 1.094 109.894 108.800 -0.000 0.000 2.176 16 G HA2 -0.266 3.689 3.960 -0.008 0.000 0.253 16 G HA3 -0.266 3.689 3.960 -0.008 0.000 0.253 16 G C 0.253 175.127 174.900 -0.042 0.000 0.979 16 G CA -0.061 45.026 45.100 -0.021 0.000 0.641 16 G HN 0.361 nan 8.290 nan 0.000 0.530 17 I N 1.533 122.076 120.570 -0.046 0.000 2.395 17 I HA 0.437 4.602 4.170 -0.008 0.000 0.289 17 I C 0.677 176.583 176.117 -0.353 0.000 1.023 17 I CA 0.169 61.438 61.300 -0.052 0.000 1.350 17 I CB 1.321 39.356 38.000 0.058 0.000 1.409 17 I HN 0.252 nan 8.210 nan 0.000 0.507 18 D N 1.564 121.735 120.400 -0.383 0.000 2.530 18 D HA 0.077 4.713 4.640 -0.008 0.000 0.253 18 D C -0.135 175.944 176.300 -0.368 0.000 1.338 18 D CA -0.042 53.467 54.000 -0.819 0.000 0.806 18 D CB 0.483 40.951 40.800 -0.553 0.000 1.160 18 D HN 0.281 nan 8.370 nan 0.000 0.514 19 T N 0.209 114.705 114.554 -0.097 0.000 2.881 19 T HA 0.577 4.923 4.350 -0.008 0.000 0.290 19 T C -0.847 173.851 174.700 -0.003 0.000 1.000 19 T CA -0.602 61.423 62.100 -0.125 0.000 0.978 19 T CB 2.536 71.158 68.868 -0.409 0.000 0.997 19 T HN -0.118 nan 8.240 nan 0.000 0.443 20 V N 3.942 123.853 119.914 -0.006 0.000 2.378 20 V HA 0.498 4.613 4.120 -0.008 0.000 0.288 20 V C -0.991 174.873 176.094 -0.383 0.000 1.016 20 V CA -0.845 61.559 62.300 0.174 0.000 0.840 20 V CB 0.634 32.796 31.823 0.565 0.000 0.994 20 V HN 0.796 nan 8.190 nan 0.000 0.431 21 F N 3.312 123.213 119.950 -0.081 0.000 2.410 21 F HA 0.832 5.355 4.527 -0.007 0.000 0.349 21 F C 0.905 176.572 175.800 -0.222 0.000 1.117 21 F CA -0.045 57.805 58.000 -0.251 0.000 1.104 21 F CB 1.799 40.710 39.000 -0.148 0.000 1.122 21 F HN 0.649 nan 8.300 nan 0.000 0.483 22 G N 2.221 110.892 108.800 -0.215 0.000 2.548 22 G HA2 0.278 4.234 3.960 -0.008 0.000 0.301 22 G HA3 0.278 4.234 3.960 -0.008 0.000 0.301 22 G C -2.210 172.779 174.900 0.149 0.000 1.349 22 G CA -0.908 44.203 45.100 0.018 0.000 0.792 22 G HN 0.513 nan 8.290 nan 0.000 0.481 23 N N 1.131 119.966 118.700 0.226 0.000 2.558 23 N HA 0.371 5.106 4.740 -0.008 0.000 0.285 23 N C -2.785 172.844 175.510 0.198 0.000 1.112 23 N CA -1.161 52.012 53.050 0.205 0.000 0.857 23 N CB 3.016 41.580 38.487 0.127 0.000 1.376 23 N HN 0.368 nan 8.380 nan 0.000 0.526 24 P HA 0.232 nan 4.420 nan 0.000 0.269 24 P C -0.153 177.115 177.300 -0.055 0.000 1.217 24 P CA 0.207 63.353 63.100 0.078 0.000 0.783 24 P CB 1.219 32.910 31.700 -0.014 0.000 0.898 25 G N -0.592 108.149 108.800 -0.099 0.000 2.660 25 G HA2 0.363 4.318 3.960 -0.008 0.000 0.290 25 G HA3 0.363 4.318 3.960 -0.008 0.000 0.290 25 G C 0.733 175.539 174.900 -0.155 0.000 1.432 25 G CA 0.048 44.871 45.100 -0.461 0.000 0.807 25 G HN 0.427 nan 8.290 nan 0.000 0.485 26 S N 0.122 115.725 115.700 -0.161 0.000 2.382 26 S HA -0.161 4.304 4.470 -0.008 0.000 0.228 26 S C 1.724 176.284 174.600 -0.068 0.000 1.027 26 S CA 1.708 59.855 58.200 -0.089 0.000 0.991 26 S CB -0.294 62.847 63.200 -0.098 0.000 0.823 26 S HN 0.435 nan 8.310 nan 0.000 0.469 27 N N 1.955 120.752 118.700 0.161 0.000 2.443 27 N HA -0.018 4.718 4.740 -0.008 0.000 0.184 27 N C 1.076 176.762 175.510 0.295 0.000 1.037 27 N CA 1.239 54.424 53.050 0.226 0.000 0.896 27 N CB -0.317 38.361 38.487 0.318 0.000 0.959 27 N HN 0.632 nan 8.380 nan 0.000 0.442 28 E N -0.515 119.836 120.200 0.252 0.000 2.476 28 E HA 0.214 4.559 4.350 -0.008 0.000 0.199 28 E C 1.752 178.471 176.600 0.197 0.000 1.021 28 E CA -0.153 56.417 56.400 0.284 0.000 0.907 28 E CB 0.064 29.942 29.700 0.296 0.000 0.974 28 E HN 0.216 nan 8.360 nan 0.000 0.489 29 L N 1.034 122.305 121.223 0.080 0.000 2.042 29 L HA -0.139 4.197 4.340 -0.008 0.000 0.210 29 L C -0.654 176.242 176.870 0.043 0.000 1.076 29 L CA 1.501 56.348 54.840 0.012 0.000 0.749 29 L CB -1.386 40.640 42.059 -0.054 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 1.318 178.688 177.300 0.117 0.000 1.145 30 P CA 1.322 64.545 63.100 0.204 0.000 0.795 30 P CB 0.005 31.983 31.700 0.464 0.000 0.775 31 F N -0.376 119.411 119.950 -0.272 0.000 2.262 31 F HA 0.078 4.601 4.527 -0.007 0.000 0.292 31 F C 1.715 177.481 175.800 -0.058 0.000 1.081 31 F CA 1.016 58.627 58.000 -0.648 0.000 1.355 31 F CB -0.640 37.727 39.000 -1.055 0.000 1.069 31 F HN -0.288 nan 8.300 nan 0.000 0.506 32 L N 1.048 122.167 121.223 -0.174 0.000 2.313 32 L HA -0.037 4.299 4.340 -0.008 0.000 0.214 32 L C 1.077 177.888 176.870 -0.099 0.000 1.119 32 L CA 0.235 54.969 54.840 -0.177 0.000 0.809 32 L CB -0.819 41.152 42.059 -0.148 0.000 0.933 32 L HN 0.041 nan 8.230 nan 0.000 0.449 33 K N 0.301 120.652 120.400 -0.082 0.000 2.469 33 K HA -0.080 4.236 4.320 -0.008 0.000 0.274 33 K C -0.306 176.223 176.600 -0.118 0.000 0.983 33 K CA -0.067 56.160 56.287 -0.100 0.000 0.974 33 K CB 0.309 32.745 32.500 -0.107 0.000 0.913 33 K HN 0.010 nan 8.250 nan 0.000 0.493 34 D N 0.562 120.891 120.400 -0.119 0.000 2.723 34 D HA -0.214 4.422 4.640 -0.008 0.000 0.236 34 D C -0.707 175.492 176.300 -0.168 0.000 1.138 34 D CA 0.770 54.685 54.000 -0.141 0.000 0.676 34 D CB -1.330 39.337 40.800 -0.221 0.000 1.069 34 D HN 0.506 nan 8.370 nan 0.000 0.430 35 F N 1.133 120.893 119.950 -0.317 0.000 2.569 35 F HA 0.145 4.667 4.527 -0.008 0.000 0.395 35 F C -1.373 174.195 175.800 -0.387 0.000 1.028 35 F CA -1.309 56.431 58.000 -0.433 0.000 1.158 35 F CB 0.290 39.124 39.000 -0.276 0.000 1.023 35 F HN -0.134 nan 8.300 nan 0.000 0.547 36 P HA -0.051 nan 4.420 nan 0.000 0.265 36 P C 0.273 177.390 177.300 -0.305 0.000 1.187 36 P CA 0.295 63.045 63.100 -0.583 0.000 0.766 36 P CB 0.475 31.745 31.700 -0.716 0.000 0.820 37 E N 1.464 121.586 120.200 -0.130 0.000 2.418 37 E HA -0.140 4.205 4.350 -0.008 0.000 0.197 37 E C 0.710 177.303 176.600 -0.013 0.000 1.026 37 E CA 0.833 57.209 56.400 -0.041 0.000 0.862 37 E CB -0.072 29.610 29.700 -0.031 0.000 0.799 37 E HN 0.615 nan 8.360 nan 0.000 0.518 38 D N -0.269 120.134 120.400 0.005 0.000 2.328 38 D HA -0.024 4.611 4.640 -0.008 0.000 0.221 38 D C 0.044 176.286 176.300 -0.098 0.000 1.072 38 D CA -0.019 53.965 54.000 -0.026 0.000 0.850 38 D CB -0.138 40.637 40.800 -0.043 0.000 0.922 38 D HN -0.041 nan 8.370 nan 0.000 0.516 39 F N 1.178 120.978 119.950 -0.250 0.000 2.556 39 F HA 0.483 5.006 4.527 -0.008 0.000 0.327 39 F C 0.646 176.442 175.800 -0.006 0.000 1.059 39 F CA -1.162 56.687 58.000 -0.252 0.000 0.953 39 F CB 1.720 40.327 39.000 -0.656 0.000 1.227 39 F HN -0.220 nan 8.300 nan 0.000 0.478 40 R N 1.045 121.730 120.500 0.308 0.000 2.750 40 R HA 0.579 4.914 4.340 -0.008 0.000 0.281 40 R C -2.225 174.283 176.300 0.346 0.000 0.972 40 R CA -0.887 55.405 56.100 0.320 0.000 0.912 40 R CB 1.771 32.097 30.300 0.043 0.000 1.187 40 R HN 0.684 nan 8.270 nan 0.000 0.464 41 Y N 3.230 123.572 120.300 0.070 0.000 2.352 41 Y HA 0.459 5.005 4.550 -0.007 0.000 0.339 41 Y C -0.853 174.894 175.900 -0.256 0.000 0.992 41 Y CA -1.213 56.792 58.100 -0.158 0.000 1.100 41 Y CB 1.451 39.645 38.460 -0.443 0.000 1.192 41 Y HN 0.523 nan 8.280 nan 0.000 0.458 42 I N 8.099 128.234 120.570 -0.725 0.000 2.354 42 I HA 0.195 4.360 4.170 -0.008 0.000 0.286 42 I C -0.851 175.053 176.117 -0.355 0.000 1.007 42 I CA -0.782 60.119 61.300 -0.665 0.000 1.167 42 I CB 0.991 38.531 38.000 -0.767 0.000 1.320 42 I HN 0.509 nan 8.210 nan 0.000 0.458 43 L N 6.773 128.107 121.223 0.186 0.000 2.312 43 L HA 0.795 5.130 4.340 -0.008 0.000 0.281 43 L C -0.069 177.047 176.870 0.410 0.000 1.070 43 L CA 0.141 55.210 54.840 0.382 0.000 0.805 43 L CB 1.331 43.761 42.059 0.619 0.000 1.174 43 L HN 0.695 nan 8.230 nan 0.000 0.434 44 A N 4.885 127.869 122.820 0.272 0.000 2.401 44 A HA 0.539 4.854 4.320 -0.008 0.000 0.310 44 A C 0.411 178.064 177.584 0.115 0.000 1.075 44 A CA -0.638 51.533 52.037 0.225 0.000 0.746 44 A CB 1.075 20.161 19.000 0.143 0.000 1.277 44 A HN 0.872 nan 8.150 nan 0.000 0.425 45 L N 0.037 121.271 121.223 0.017 0.000 2.465 45 L HA 0.049 4.385 4.340 -0.008 0.000 0.224 45 L C 0.957 177.797 176.870 -0.050 0.000 1.145 45 L CA 0.980 55.752 54.840 -0.113 0.000 0.834 45 L CB -0.041 41.860 42.059 -0.263 0.000 0.944 45 L HN 0.707 nan 8.230 nan 0.000 0.451 46 Q N -0.586 119.212 119.800 -0.003 0.000 2.340 46 Q HA 0.113 4.448 4.340 -0.008 0.000 0.276 46 Q C -0.164 175.862 176.000 0.043 0.000 1.048 46 Q CA -0.303 55.511 55.803 0.018 0.000 0.832 46 Q CB 2.338 31.083 28.738 0.013 0.000 1.373 46 Q HN -0.027 nan 8.270 nan 0.000 0.409 47 E N 1.377 121.610 120.200 0.055 0.000 2.171 47 E HA -0.205 4.141 4.350 -0.008 0.000 0.197 47 E C 1.517 178.150 176.600 0.054 0.000 0.997 47 E CA 1.933 58.371 56.400 0.063 0.000 0.810 47 E CB -0.006 29.736 29.700 0.070 0.000 0.738 47 E HN 0.657 nan 8.360 nan 0.000 0.467 48 A N -0.045 122.807 122.820 0.052 0.000 1.972 48 A HA -0.192 4.123 4.320 -0.008 0.000 0.219 48 A C 2.272 179.885 177.584 0.048 0.000 1.169 48 A CA 1.373 53.443 52.037 0.056 0.000 0.635 48 A CB -0.697 18.345 19.000 0.070 0.000 0.810 48 A HN 0.424 nan 8.150 nan 0.000 0.446 49 C N -1.610 117.716 119.300 0.042 0.000 2.475 49 C HA 0.039 4.495 4.460 -0.008 0.000 0.279 49 C C 2.650 177.656 174.990 0.028 0.000 1.322 49 C CA 0.569 59.606 59.018 0.031 0.000 1.734 49 C CB -1.135 26.622 27.740 0.030 0.000 2.005 49 C HN 0.437 nan 8.230 nan 0.000 0.495 50 V N 1.242 121.184 119.914 0.047 0.000 2.233 50 V HA -0.224 3.892 4.120 -0.008 0.000 0.247 50 V C 2.480 178.573 176.094 -0.001 0.000 1.050 50 V CA 2.356 64.690 62.300 0.056 0.000 1.010 50 V CB -0.817 31.053 31.823 0.078 0.000 0.637 50 V HN 0.441 nan 8.190 nan 0.000 0.444 51 V N 0.761 120.678 119.914 0.006 0.000 2.407 51 V HA -0.157 3.958 4.120 -0.008 0.000 0.248 51 V C 2.607 178.676 176.094 -0.043 0.000 1.055 51 V CA 2.017 64.306 62.300 -0.018 0.000 1.049 51 V CB -1.423 30.416 31.823 0.026 0.000 0.662 51 V HN 0.631 nan 8.190 nan 0.000 0.455 52 G N 0.101 108.891 108.800 -0.018 0.000 2.446 52 G HA2 -0.228 3.727 3.960 -0.008 0.000 0.217 52 G HA3 -0.228 3.727 3.960 -0.008 0.000 0.217 52 G C 1.568 176.372 174.900 -0.160 0.000 1.168 52 G CA 1.115 46.191 45.100 -0.040 0.000 0.771 52 G HN 0.483 nan 8.290 nan 0.000 0.551 53 I N 1.369 121.841 120.570 -0.164 0.000 2.142 53 I HA -0.182 3.984 4.170 -0.008 0.000 0.240 53 I C 3.327 179.164 176.117 -0.466 0.000 1.078 53 I CA 1.046 62.215 61.300 -0.219 0.000 1.343 53 I CB -0.319 37.631 38.000 -0.084 0.000 1.046 53 I HN 0.248 nan 8.210 nan 0.000 0.405 54 A N 0.253 122.637 122.820 -0.727 0.000 1.940 54 A HA -0.293 4.023 4.320 -0.008 0.000 0.219 54 A C 2.073 179.412 177.584 -0.409 0.000 1.176 54 A CA 2.182 53.563 52.037 -1.093 0.000 0.631 54 A CB -0.650 17.883 19.000 -0.780 0.000 0.814 54 A HN 0.445 nan 8.150 nan 0.000 0.446 55 D N -0.328 119.950 120.400 -0.203 0.000 2.084 55 D HA -0.097 4.538 4.640 -0.008 0.000 0.194 55 D C 2.121 178.389 176.300 -0.054 0.000 0.990 55 D CA 1.749 55.729 54.000 -0.033 0.000 0.826 55 D CB -0.650 40.229 40.800 0.131 0.000 0.971 55 D HN 0.308 nan 8.370 nan 0.000 0.453 56 G N -0.863 107.847 108.800 -0.150 0.000 2.440 56 G HA2 -0.325 3.631 3.960 -0.008 0.000 0.218 56 G HA3 -0.325 3.631 3.960 -0.008 0.000 0.218 56 G C 1.703 176.490 174.900 -0.188 0.000 1.154 56 G CA 0.999 45.941 45.100 -0.264 0.000 0.767 56 G HN 0.373 nan 8.290 nan 0.000 0.552 57 Y N 1.976 122.122 120.300 -0.257 0.000 2.128 57 Y HA -0.047 4.498 4.550 -0.008 0.000 0.284 57 Y C 2.945 178.793 175.900 -0.087 0.000 1.154 57 Y CA 1.550 59.559 58.100 -0.151 0.000 1.149 57 Y CB -0.378 37.986 38.460 -0.160 0.000 0.976 57 Y HN 0.255 nan 8.280 nan 0.000 0.505 58 A N -0.007 122.813 122.820 -0.001 0.000 1.873 58 A HA -0.224 4.092 4.320 -0.008 0.000 0.215 58 A C 2.123 179.682 177.584 -0.042 0.000 1.186 58 A CA 1.833 53.864 52.037 -0.011 0.000 0.616 58 A CB -0.759 18.269 19.000 0.046 0.000 0.823 58 A HN 0.644 nan 8.150 nan 0.000 0.442 59 Q N -0.707 119.072 119.800 -0.035 0.000 2.084 59 Q HA -0.142 4.193 4.340 -0.008 0.000 0.202 59 Q C 2.417 178.441 176.000 0.039 0.000 0.978 59 Q CA 1.489 57.310 55.803 0.030 0.000 0.844 59 Q CB -0.349 28.421 28.738 0.052 0.000 0.898 59 Q HN 0.691 nan 8.270 nan 0.000 0.426 60 A N 1.028 123.797 122.820 -0.086 0.000 1.897 60 A HA -0.134 4.181 4.320 -0.008 0.000 0.215 60 A C 2.234 179.770 177.584 -0.080 0.000 1.181 60 A CA 1.530 53.550 52.037 -0.028 0.000 0.620 60 A CB -0.476 18.460 19.000 -0.106 0.000 0.821 60 A HN 0.430 nan 8.150 nan 0.000 0.443 61 S N -1.260 114.312 115.700 -0.213 0.000 2.481 61 S HA -0.046 4.419 4.470 -0.008 0.000 0.231 61 S C 0.962 175.496 174.600 -0.110 0.000 0.996 61 S CA 0.688 58.745 58.200 -0.237 0.000 0.942 61 S CB -0.367 62.539 63.200 -0.490 0.000 0.768 61 S HN 0.524 nan 8.310 nan 0.000 0.520 62 R N 0.405 120.870 120.500 -0.058 0.000 3.641 62 R HA -0.116 4.219 4.340 -0.008 0.000 0.286 62 R C -0.910 175.385 176.300 -0.007 0.000 1.153 62 R CA 0.979 57.075 56.100 -0.007 0.000 0.775 62 R CB -1.992 28.313 30.300 0.008 0.000 1.215 62 R HN 0.566 nan 8.270 nan 0.000 0.474 63 K N -0.079 120.311 120.400 -0.015 0.000 2.508 63 K HA 0.430 4.746 4.320 -0.008 0.000 0.260 63 K C -2.564 174.069 176.600 0.055 0.000 0.949 63 K CA -2.014 54.283 56.287 0.016 0.000 0.834 63 K CB 2.627 35.133 32.500 0.010 0.000 1.365 63 K HN -0.217 nan 8.250 nan 0.000 0.437 64 P HA 0.044 nan 4.420 nan 0.000 0.269 64 P C -1.282 176.145 177.300 0.210 0.000 1.215 64 P CA -0.214 62.959 63.100 0.123 0.000 0.780 64 P CB 0.835 32.599 31.700 0.107 0.000 0.898 65 A N 2.808 125.768 122.820 0.234 0.000 2.342 65 A HA 0.577 4.893 4.320 -0.008 0.000 0.323 65 A C -1.143 176.654 177.584 0.356 0.000 1.125 65 A CA -0.658 51.590 52.037 0.351 0.000 0.785 65 A CB 0.561 19.701 19.000 0.233 0.000 1.221 65 A HN 0.504 nan 8.150 nan 0.000 0.463 66 F N 2.669 122.809 119.950 0.317 0.000 2.408 66 F HA 0.712 5.234 4.527 -0.007 0.000 0.344 66 F C -0.430 175.555 175.800 0.309 0.000 1.112 66 F CA -0.512 57.648 58.000 0.267 0.000 1.096 66 F CB 0.715 39.868 39.000 0.255 0.000 1.129 66 F HN 0.431 nan 8.300 nan 0.000 0.486 67 I N 4.732 125.101 120.570 -0.337 0.000 2.646 67 I HA 0.315 4.481 4.170 -0.008 0.000 0.299 67 I C -1.145 174.781 176.117 -0.318 0.000 1.036 67 I CA -0.991 60.224 61.300 -0.142 0.000 1.074 67 I CB 2.227 40.195 38.000 -0.053 0.000 1.258 67 I HN 0.526 nan 8.210 nan 0.000 0.430 68 N N 5.948 124.646 118.700 -0.003 0.000 2.540 68 N HA 0.567 5.303 4.740 -0.008 0.000 0.275 68 N C -1.597 173.997 175.510 0.140 0.000 1.053 68 N CA -0.322 52.776 53.050 0.080 0.000 0.876 68 N CB 1.022 39.727 38.487 0.364 0.000 1.284 68 N HN 0.468 nan 8.380 nan 0.000 0.518 69 L N 1.098 122.384 121.223 0.105 0.000 2.304 69 L HA 0.481 4.817 4.340 -0.008 0.000 0.268 69 L C -0.272 176.713 176.870 0.193 0.000 1.010 69 L CA -1.229 53.702 54.840 0.152 0.000 0.813 69 L CB 1.280 43.420 42.059 0.134 0.000 1.315 69 L HN 0.567 nan 8.230 nan 0.000 0.445 70 H N 0.532 119.663 119.070 0.101 0.000 2.690 70 H HA 0.305 4.856 4.556 -0.008 0.000 0.289 70 H C 0.304 175.687 175.328 0.093 0.000 1.089 70 H CA 0.675 56.780 56.048 0.096 0.000 1.299 70 H CB 0.671 30.481 29.762 0.080 0.000 1.405 70 H HN 0.697 nan 8.280 nan 0.000 0.463 71 S N 2.932 118.466 115.700 -0.276 0.000 2.865 71 S HA -0.378 4.088 4.470 -0.008 0.000 0.630 71 S C 1.790 176.351 174.600 -0.066 0.000 3.160 71 S CA 1.584 59.651 58.200 -0.223 0.000 3.629 71 S CB -1.267 61.672 63.200 -0.433 0.000 0.312 71 S HN 1.100 nan 8.310 nan 0.000 1.632 72 A N 0.547 123.332 122.820 -0.059 0.000 1.858 72 A HA 0.234 4.550 4.320 -0.008 0.000 0.216 72 A C 2.698 180.278 177.584 -0.007 0.000 1.190 72 A CA 2.906 54.933 52.037 -0.017 0.000 0.617 72 A CB -1.662 17.324 19.000 -0.024 0.000 0.827 72 A HN 1.793 nan 8.150 nan 0.000 0.443 73 A N -0.512 122.306 122.820 -0.003 0.000 1.892 73 A HA 0.035 4.351 4.320 -0.008 0.000 0.218 73 A C 2.443 180.059 177.584 0.054 0.000 1.188 73 A CA 2.229 54.285 52.037 0.032 0.000 0.631 73 A CB -1.498 17.541 19.000 0.064 0.000 0.822 73 A HN 0.790 nan 8.150 nan 0.000 0.447 74 G N -1.383 107.465 108.800 0.081 0.000 2.421 74 G HA2 -0.140 3.816 3.960 -0.008 0.000 0.216 74 G HA3 -0.140 3.816 3.960 -0.008 0.000 0.216 74 G C 1.590 176.538 174.900 0.080 0.000 1.171 74 G CA 1.650 46.815 45.100 0.108 0.000 0.775 74 G HN 0.436 nan 8.290 nan 0.000 0.543 75 T N 1.078 115.677 114.554 0.074 0.000 2.708 75 T HA -0.061 4.285 4.350 -0.008 0.000 0.266 75 T C 2.503 177.198 174.700 -0.008 0.000 1.037 75 T CA 1.529 63.663 62.100 0.055 0.000 1.146 75 T CB -0.698 68.201 68.868 0.052 0.000 0.865 75 T HN 0.360 nan 8.240 nan 0.000 0.435 76 G N 2.302 111.093 108.800 -0.014 0.000 2.476 76 G HA2 -0.292 3.664 3.960 -0.008 0.000 0.218 76 G HA3 -0.292 3.664 3.960 -0.008 0.000 0.218 76 G C 1.589 176.488 174.900 -0.003 0.000 1.164 76 G CA 0.800 45.886 45.100 -0.024 0.000 0.768 76 G HN 0.403 nan 8.290 nan 0.000 0.560 77 N N 1.026 119.739 118.700 0.021 0.000 2.443 77 N HA -0.006 4.729 4.740 -0.008 0.000 0.184 77 N C 1.916 177.446 175.510 0.033 0.000 1.037 77 N CA 0.976 54.045 53.050 0.031 0.000 0.896 77 N CB -0.116 38.398 38.487 0.044 0.000 0.959 77 N HN 0.372 nan 8.380 nan 0.000 0.442 78 A N -0.345 122.491 122.820 0.026 0.000 2.348 78 A HA 0.183 4.498 4.320 -0.008 0.000 0.224 78 A C 1.876 179.464 177.584 0.007 0.000 1.227 78 A CA -0.128 51.925 52.037 0.027 0.000 0.885 78 A CB 0.043 19.067 19.000 0.040 0.000 0.933 78 A HN -0.006 nan 8.150 nan 0.000 0.506 79 M N -0.114 119.476 119.600 -0.016 0.000 2.108 79 M HA -0.138 4.338 4.480 -0.008 0.000 0.261 79 M C 2.196 178.480 176.300 -0.027 0.000 1.066 79 M CA 1.717 56.992 55.300 -0.042 0.000 1.107 79 M CB -1.682 30.881 32.600 -0.060 0.000 1.356 79 M HN 0.474 nan 8.290 nan 0.000 0.406 80 G N -0.153 108.642 108.800 -0.009 0.000 2.418 80 G HA2 -0.072 3.883 3.960 -0.008 0.000 0.217 80 G HA3 -0.072 3.883 3.960 -0.008 0.000 0.217 80 G C 1.679 176.579 174.900 -0.001 0.000 1.158 80 G CA 1.249 46.344 45.100 -0.009 0.000 0.771 80 G HN 0.553 nan 8.290 nan 0.000 0.545 81 A N 0.545 123.380 122.820 0.026 0.000 1.933 81 A HA 0.107 4.422 4.320 -0.008 0.000 0.218 81 A C 2.407 180.016 177.584 0.042 0.000 1.175 81 A CA 1.178 53.246 52.037 0.052 0.000 0.628 81 A CB -0.381 18.660 19.000 0.068 0.000 0.814 81 A HN 0.356 nan 8.150 nan 0.000 0.444 82 L N 0.502 121.743 121.223 0.031 0.000 2.201 82 L HA -0.167 4.168 4.340 -0.008 0.000 0.212 82 L C 2.990 179.896 176.870 0.060 0.000 1.105 82 L CA 1.415 56.284 54.840 0.049 0.000 0.775 82 L CB -0.482 41.592 42.059 0.024 0.000 0.913 82 L HN 0.659 nan 8.230 nan 0.000 0.440 83 S N -0.348 115.358 115.700 0.010 0.000 2.382 83 S HA -0.167 4.298 4.470 -0.008 0.000 0.228 83 S C 1.762 176.380 174.600 0.030 0.000 1.027 83 S CA 1.176 59.378 58.200 0.003 0.000 0.991 83 S CB -0.348 62.823 63.200 -0.049 0.000 0.823 83 S HN 0.432 nan 8.310 nan 0.000 0.469 84 N N 2.512 121.194 118.700 -0.031 0.000 2.106 84 N HA 0.092 4.828 4.740 -0.008 0.000 0.188 84 N C 2.118 177.584 175.510 -0.074 0.000 1.029 84 N CA 1.472 54.448 53.050 -0.122 0.000 0.848 84 N CB -1.008 37.319 38.487 -0.265 0.000 1.007 84 N HN 0.597 nan 8.380 nan 0.000 0.423 85 A N 1.538 124.360 122.820 0.002 0.000 1.948 85 A HA -0.185 4.131 4.320 -0.008 0.000 0.220 85 A C 2.040 179.664 177.584 0.068 0.000 1.177 85 A CA 1.209 53.270 52.037 0.040 0.000 0.636 85 A CB -1.101 17.949 19.000 0.085 0.000 0.815 85 A HN 0.613 nan 8.150 nan 0.000 0.449 86 W N 1.059 122.327 121.300 -0.055 0.000 2.358 86 W HA -0.181 4.474 4.660 -0.008 0.000 0.303 86 W C 1.372 177.815 176.519 -0.127 0.000 1.208 86 W CA 1.957 59.272 57.345 -0.049 0.000 1.274 86 W CB -0.489 28.947 29.460 -0.040 0.000 1.138 86 W HN 0.413 nan 8.180 nan 0.000 0.515 87 N N 0.338 119.039 118.700 0.001 0.000 2.331 87 N HA -0.146 4.589 4.740 -0.008 0.000 0.180 87 N C 1.793 177.107 175.510 -0.327 0.000 1.019 87 N CA 2.054 55.007 53.050 -0.162 0.000 0.881 87 N CB -0.460 38.004 38.487 -0.038 0.000 0.972 87 N HN 0.131 nan 8.380 nan 0.000 0.435 88 S N -1.488 114.074 115.700 -0.230 0.000 2.556 88 S HA 0.088 4.553 4.470 -0.008 0.000 0.216 88 S C -0.124 174.423 174.600 -0.088 0.000 0.970 88 S CA -0.290 57.820 58.200 -0.150 0.000 0.912 88 S CB -0.553 62.610 63.200 -0.062 0.000 0.790 88 S HN 0.402 nan 8.310 nan 0.000 0.504 89 H N 0.827 119.825 119.070 -0.121 0.000 2.791 89 H HA -0.130 4.421 4.556 -0.008 0.000 0.302 89 H C -0.651 174.644 175.328 -0.056 0.000 1.198 89 H CA 0.401 56.366 56.048 -0.139 0.000 1.145 89 H CB -2.162 27.529 29.762 -0.119 0.000 1.385 89 H HN 0.372 nan 8.280 nan 0.000 0.409 90 S N 2.488 118.225 115.700 0.062 0.000 2.481 90 S HA 0.122 4.587 4.470 -0.008 0.000 0.276 90 S C -1.810 172.833 174.600 0.070 0.000 1.247 90 S CA -0.997 57.245 58.200 0.069 0.000 1.053 90 S CB 0.944 64.182 63.200 0.063 0.000 0.925 90 S HN 0.210 nan 8.310 nan 0.000 0.491 91 P HA 0.190 nan 4.420 nan 0.000 0.260 91 P C -1.055 176.297 177.300 0.088 0.000 1.651 91 P CA -0.001 63.142 63.100 0.072 0.000 1.139 91 P CB -0.198 31.538 31.700 0.060 0.000 1.756 92 L N 4.472 125.751 121.223 0.093 0.000 2.313 92 L HA 0.502 4.838 4.340 -0.008 0.000 0.283 92 L C 0.708 177.636 176.870 0.096 0.000 1.013 92 L CA -0.962 53.931 54.840 0.090 0.000 0.816 92 L CB 1.890 43.992 42.059 0.072 0.000 1.236 92 L HN 0.154 nan 8.230 nan 0.000 0.419 93 I N 4.287 124.903 120.570 0.076 0.000 2.310 93 I HA 0.185 4.351 4.170 -0.008 0.000 0.287 93 I C -0.285 175.751 176.117 -0.136 0.000 1.073 93 I CA -0.508 60.813 61.300 0.035 0.000 1.216 93 I CB 1.196 39.265 38.000 0.115 0.000 1.415 93 I HN 0.254 nan 8.210 nan 0.000 0.480 94 V N 5.300 125.191 119.914 -0.039 0.000 2.368 94 V HA 0.255 4.370 4.120 -0.008 0.000 0.266 94 V C 0.618 176.607 176.094 -0.176 0.000 1.045 94 V CA -0.348 61.917 62.300 -0.059 0.000 0.899 94 V CB 1.004 32.923 31.823 0.161 0.000 1.006 94 V HN 0.789 nan 8.190 nan 0.000 0.470 95 T N 2.348 116.710 114.554 -0.320 0.000 2.823 95 T HA 0.861 5.207 4.350 -0.008 0.000 0.279 95 T C -0.404 174.162 174.700 -0.224 0.000 0.998 95 T CA -0.537 61.363 62.100 -0.334 0.000 0.994 95 T CB 1.955 70.619 68.868 -0.340 0.000 0.960 95 T HN 0.937 nan 8.240 nan 0.000 0.448 96 A N 2.056 124.721 122.820 -0.257 0.000 2.393 96 A HA 0.861 5.176 4.320 -0.008 0.000 0.306 96 A C 0.383 177.947 177.584 -0.033 0.000 1.050 96 A CA -0.736 51.251 52.037 -0.084 0.000 0.724 96 A CB 1.242 20.239 19.000 -0.005 0.000 1.248 96 A HN 1.331 nan 8.150 nan 0.000 0.424 97 G N 0.658 109.504 108.800 0.076 0.000 2.378 97 G HA2 0.461 4.417 3.960 -0.008 0.000 0.255 97 G HA3 0.461 4.417 3.960 -0.008 0.000 0.255 97 G C -0.114 174.839 174.900 0.088 0.000 1.270 97 G CA 0.022 45.216 45.100 0.157 0.000 0.876 97 G HN 0.838 nan 8.290 nan 0.000 0.521 98 Q N 0.679 120.541 119.800 0.103 0.000 2.204 98 Q HA 0.329 4.665 4.340 -0.008 0.000 0.254 98 Q C 0.374 176.455 176.000 0.135 0.000 0.981 98 Q CA -0.627 55.206 55.803 0.051 0.000 0.897 98 Q CB 0.995 29.717 28.738 -0.026 0.000 1.273 98 Q HN 0.509 nan 8.270 nan 0.000 0.464 99 Q N 0.263 120.112 119.800 0.081 0.000 2.535 99 Q HA 0.086 4.421 4.340 -0.008 0.000 0.228 99 Q C -0.552 175.360 176.000 -0.147 0.000 1.062 99 Q CA 0.244 56.111 55.803 0.106 0.000 0.967 99 Q CB 0.742 29.516 28.738 0.060 0.000 1.273 99 Q HN 0.833 nan 8.270 nan 0.000 0.554 100 T N 0.650 114.928 114.554 -0.460 0.000 2.916 100 T HA 0.041 4.386 4.350 -0.008 0.000 0.303 100 T C 1.289 175.820 174.700 -0.281 0.000 1.025 100 T CA 0.047 61.747 62.100 -0.667 0.000 1.142 100 T CB 0.346 68.730 68.868 -0.807 0.000 0.947 100 T HN 0.510 nan 8.240 nan 0.000 0.544 101 R N 3.246 123.608 120.500 -0.231 0.000 2.154 101 R HA -0.172 4.163 4.340 -0.008 0.000 0.248 101 R C 2.524 178.760 176.300 -0.106 0.000 1.155 101 R CA 1.587 57.601 56.100 -0.143 0.000 0.979 101 R CB -0.566 29.659 30.300 -0.125 0.000 0.869 101 R HN 0.763 nan 8.270 nan 0.000 0.452 102 A N 0.176 122.930 122.820 -0.109 0.000 2.121 102 A HA -0.058 4.257 4.320 -0.008 0.000 0.218 102 A C 1.736 179.291 177.584 -0.049 0.000 1.154 102 A CA 1.077 53.074 52.037 -0.067 0.000 0.679 102 A CB -0.050 18.916 19.000 -0.056 0.000 0.795 102 A HN 0.206 nan 8.150 nan 0.000 0.458 103 M N -1.298 118.268 119.600 -0.056 0.000 2.347 103 M HA 0.315 4.790 4.480 -0.008 0.000 0.324 103 M C 0.912 177.197 176.300 -0.024 0.000 1.028 103 M CA 0.115 55.400 55.300 -0.025 0.000 0.988 103 M CB 0.260 32.861 32.600 0.001 0.000 1.528 103 M HN 0.302 nan 8.290 nan 0.000 0.550 104 I N 0.199 120.743 120.570 -0.042 0.000 2.439 104 I HA -0.106 4.059 4.170 -0.008 0.000 0.251 104 I C 2.456 178.555 176.117 -0.030 0.000 1.139 104 I CA 1.250 62.527 61.300 -0.038 0.000 1.438 104 I CB -0.483 37.483 38.000 -0.056 0.000 1.085 104 I HN 0.372 nan 8.210 nan 0.000 0.427 105 G N 1.306 110.088 108.800 -0.030 0.000 2.459 105 G HA2 -0.232 3.723 3.960 -0.008 0.000 0.217 105 G HA3 -0.232 3.723 3.960 -0.008 0.000 0.217 105 G C 1.625 176.515 174.900 -0.016 0.000 1.183 105 G CA 1.378 46.464 45.100 -0.024 0.000 0.776 105 G HN 0.381 nan 8.290 nan 0.000 0.552 106 V N -2.172 117.736 119.914 -0.011 0.000 3.380 106 V HA 0.228 4.344 4.120 -0.008 0.000 0.268 106 V C 0.715 176.807 176.094 -0.003 0.000 1.168 106 V CA 1.011 63.308 62.300 -0.005 0.000 1.156 106 V CB -0.872 30.951 31.823 0.000 0.000 0.785 106 V HN 0.528 nan 8.190 nan 0.000 0.487 107 E N -0.068 120.129 120.200 -0.005 0.000 2.257 107 E HA -0.174 4.171 4.350 -0.008 0.000 0.217 107 E C 0.556 177.161 176.600 0.009 0.000 1.248 107 E CA 0.185 56.584 56.400 -0.002 0.000 0.691 107 E CB -1.379 28.318 29.700 -0.005 0.000 1.185 107 E HN 1.003 nan 8.360 nan 0.000 0.377 108 A N 0.902 123.732 122.820 0.016 0.000 2.406 108 A HA 0.364 4.679 4.320 -0.008 0.000 0.243 108 A C 0.432 178.039 177.584 0.037 0.000 1.082 108 A CA -0.299 51.756 52.037 0.030 0.000 0.786 108 A CB 0.426 19.451 19.000 0.043 0.000 1.029 108 A HN 0.374 nan 8.150 nan 0.000 0.495 109 L N 0.858 122.107 121.223 0.044 0.000 2.543 109 L HA 0.074 4.410 4.340 -0.008 0.000 0.285 109 L C 0.821 177.730 176.870 0.065 0.000 1.236 109 L CA 1.385 56.254 54.840 0.049 0.000 0.871 109 L CB -0.318 41.773 42.059 0.053 0.000 1.121 109 L HN 0.740 nan 8.230 nan 0.000 0.501 110 L N 1.582 122.836 121.223 0.052 0.000 4.885 110 L HA -0.210 4.125 4.340 -0.008 0.000 0.404 110 L C 0.249 177.126 176.870 0.011 0.000 0.970 110 L CA 0.439 55.301 54.840 0.037 0.000 1.426 110 L CB -2.448 39.675 42.059 0.106 0.000 1.934 110 L HN 0.764 nan 8.230 nan 0.000 0.613 111 T N 1.012 115.575 114.554 0.016 0.000 2.814 111 T HA 0.158 4.504 4.350 -0.008 0.000 0.297 111 T C 0.619 175.310 174.700 -0.015 0.000 0.956 111 T CA -0.028 62.073 62.100 0.003 0.000 1.123 111 T CB 1.053 69.921 68.868 0.001 0.000 0.902 111 T HN 0.134 nan 8.240 nan 0.000 0.528 112 N N 4.074 122.761 118.700 -0.021 0.000 2.555 112 N HA 0.108 4.843 4.740 -0.008 0.000 0.244 112 N C -0.434 175.063 175.510 -0.022 0.000 1.114 112 N CA -0.245 52.793 53.050 -0.019 0.000 0.963 112 N CB 0.165 38.651 38.487 -0.003 0.000 1.276 112 N HN 0.285 nan 8.380 nan 0.000 0.510 113 V N 3.265 123.165 119.914 -0.024 0.000 2.585 113 V HA -0.016 4.099 4.120 -0.008 0.000 0.296 113 V C 0.942 177.015 176.094 -0.034 0.000 1.035 113 V CA -0.104 62.178 62.300 -0.029 0.000 1.084 113 V CB 0.568 32.376 31.823 -0.026 0.000 0.953 113 V HN 0.729 nan 8.190 nan 0.000 0.483 114 D N 3.302 123.677 120.400 -0.041 0.000 2.737 114 D HA -0.271 4.364 4.640 -0.008 0.000 0.233 114 D C 1.360 177.633 176.300 -0.044 0.000 1.155 114 D CA 1.007 54.979 54.000 -0.047 0.000 0.667 114 D CB -0.592 40.181 40.800 -0.045 0.000 1.060 114 D HN 0.840 nan 8.370 nan 0.000 0.427 115 A N 0.587 123.389 122.820 -0.030 0.000 1.893 115 A HA -0.177 4.139 4.320 -0.008 0.000 0.222 115 A C 2.573 180.185 177.584 0.045 0.000 1.309 115 A CA 3.564 55.614 52.037 0.023 0.000 0.681 115 A CB -1.299 17.722 19.000 0.034 0.000 0.842 115 A HN 1.040 nan 8.150 nan 0.000 0.468 116 A N -0.836 121.987 122.820 0.004 0.000 2.032 116 A HA -0.225 4.090 4.320 -0.008 0.000 0.221 116 A C 1.843 179.385 177.584 -0.069 0.000 1.165 116 A CA 1.955 53.988 52.037 -0.007 0.000 0.645 116 A CB -0.656 18.292 19.000 -0.086 0.000 0.807 116 A HN 0.618 nan 8.150 nan 0.000 0.453 117 N N -0.625 118.027 118.700 -0.079 0.000 2.457 117 N HA -0.048 4.688 4.740 -0.008 0.000 0.180 117 N C 1.466 176.894 175.510 -0.136 0.000 1.050 117 N CA 0.809 53.800 53.050 -0.097 0.000 0.906 117 N CB -0.300 38.142 38.487 -0.075 0.000 0.968 117 N HN 0.441 nan 8.380 nan 0.000 0.445 118 L N 2.718 123.843 121.223 -0.163 0.000 1.970 118 L HA -0.048 4.288 4.340 -0.008 0.000 0.212 118 L C -0.888 175.814 176.870 -0.280 0.000 1.071 118 L CA 2.082 56.798 54.840 -0.206 0.000 0.751 118 L CB -1.450 40.484 42.059 -0.207 0.000 0.889 118 L HN 0.099 nan 8.230 nan 0.000 0.432 119 P HA -0.095 nan 4.420 nan 0.000 0.236 119 P C 0.045 177.193 177.300 -0.253 0.000 1.177 119 P CA 0.482 63.346 63.100 -0.392 0.000 0.773 119 P CB -0.082 31.245 31.700 -0.622 0.000 0.878 120 R N 1.906 122.277 120.500 -0.216 0.000 2.643 120 R HA 0.128 4.463 4.340 -0.008 0.000 0.270 120 R C -1.371 174.809 176.300 -0.200 0.000 1.061 120 R CA -0.891 55.097 56.100 -0.186 0.000 1.107 120 R CB -0.137 30.080 30.300 -0.138 0.000 0.999 120 R HN 0.128 nan 8.270 nan 0.000 0.460 121 P HA 0.100 nan 4.420 nan 0.000 0.248 121 P C 0.001 176.954 177.300 -0.577 0.000 1.708 121 P CA 0.291 63.188 63.100 -0.338 0.000 1.062 121 P CB 0.273 31.785 31.700 -0.314 0.000 1.562 122 L N 0.005 120.974 121.223 -0.424 0.000 2.629 122 L HA 0.174 4.510 4.340 -0.008 0.000 0.230 122 L C 0.801 177.626 176.870 -0.075 0.000 1.151 122 L CA -0.225 54.359 54.840 -0.427 0.000 0.924 122 L CB 0.197 42.125 42.059 -0.217 0.000 1.137 122 L HN -0.079 nan 8.230 nan 0.000 0.457 123 V N -5.271 114.633 119.914 -0.017 0.000 2.962 123 V HA 0.375 4.490 4.120 -0.008 0.000 0.313 123 V C 0.639 177.013 176.094 0.467 0.000 1.099 123 V CA -1.042 61.438 62.300 0.301 0.000 0.971 123 V CB 2.166 34.094 31.823 0.175 0.000 1.028 123 V HN 0.029 nan 8.190 nan 0.000 0.430 124 K N 0.897 121.624 120.400 0.544 0.000 2.155 124 K HA 0.084 4.399 4.320 -0.008 0.000 0.203 124 K C -0.230 176.633 176.600 0.437 0.000 1.052 124 K CA 1.644 58.213 56.287 0.469 0.000 0.948 124 K CB 0.167 32.844 32.500 0.295 0.000 0.728 124 K HN 0.746 nan 8.250 nan 0.000 0.448 125 W N -0.053 121.350 121.300 0.171 0.000 3.425 125 W HA 0.316 4.972 4.660 -0.008 0.000 0.318 125 W C -1.631 174.988 176.519 0.167 0.000 1.201 125 W CA -0.667 56.757 57.345 0.131 0.000 1.212 125 W CB 1.922 31.433 29.460 0.085 0.000 1.355 125 W HN -0.360 nan 8.180 nan 0.000 0.515 126 S N 5.148 120.605 115.700 -0.405 0.000 2.571 126 S HA 0.761 5.227 4.470 -0.008 0.000 0.284 126 S C -2.073 172.174 174.600 -0.590 0.000 1.128 126 S CA -0.310 57.708 58.200 -0.304 0.000 0.970 126 S CB 0.757 63.916 63.200 -0.067 0.000 1.039 126 S HN 0.508 nan 8.310 nan 0.000 0.485 127 Y N 2.191 122.042 120.300 -0.749 0.000 2.624 127 Y HA 0.567 5.113 4.550 -0.008 0.000 0.334 127 Y C -1.525 174.146 175.900 -0.383 0.000 1.155 127 Y CA -0.703 56.988 58.100 -0.681 0.000 1.046 127 Y CB 1.557 39.292 38.460 -1.210 0.000 1.316 127 Y HN 0.689 nan 8.280 nan 0.000 0.457 128 E N 5.296 124.912 120.200 -0.973 0.000 2.265 128 E HA 0.492 4.837 4.350 -0.008 0.000 0.262 128 E C -2.947 173.100 176.600 -0.922 0.000 0.889 128 E CA -2.404 53.593 56.400 -0.672 0.000 0.789 128 E CB 1.952 31.406 29.700 -0.410 0.000 1.221 128 E HN 0.311 nan 8.360 nan 0.000 0.414 129 P HA 0.037 nan 4.420 nan 0.000 0.267 129 P C -0.300 176.888 177.300 -0.186 0.000 1.200 129 P CA 0.161 63.150 63.100 -0.185 0.000 0.772 129 P CB 0.982 32.672 31.700 -0.017 0.000 0.855 130 A N 1.356 124.134 122.820 -0.070 0.000 2.251 130 A HA 0.278 4.594 4.320 -0.008 0.000 0.209 130 A C 0.545 178.103 177.584 -0.043 0.000 1.187 130 A CA 0.937 52.938 52.037 -0.059 0.000 0.823 130 A CB -0.497 18.500 19.000 -0.004 0.000 0.846 130 A HN 0.603 nan 8.150 nan 0.000 0.486 131 S N -3.851 111.828 115.700 -0.036 0.000 2.567 131 S HA 0.591 5.056 4.470 -0.008 0.000 0.270 131 S C 0.613 175.181 174.600 -0.054 0.000 1.152 131 S CA -0.009 58.168 58.200 -0.039 0.000 0.835 131 S CB 0.958 64.153 63.200 -0.008 0.000 1.115 131 S HN 0.981 nan 8.310 nan 0.000 0.459 132 A N 1.638 124.416 122.820 -0.070 0.000 1.908 132 A HA 0.254 4.570 4.320 -0.008 0.000 0.218 132 A C 2.290 179.844 177.584 -0.050 0.000 1.181 132 A CA 2.064 54.042 52.037 -0.099 0.000 0.627 132 A CB -1.571 17.379 19.000 -0.083 0.000 0.818 132 A HN 1.794 nan 8.150 nan 0.000 0.445 133 A N -0.800 122.016 122.820 -0.005 0.000 2.125 133 A HA -0.145 4.170 4.320 -0.008 0.000 0.219 133 A C 1.922 179.535 177.584 0.049 0.000 1.156 133 A CA 1.597 53.650 52.037 0.027 0.000 0.671 133 A CB -0.416 18.602 19.000 0.030 0.000 0.794 133 A HN 0.671 nan 8.150 nan 0.000 0.459 134 E N -0.165 120.068 120.200 0.054 0.000 2.371 134 E HA -0.024 4.321 4.350 -0.008 0.000 0.194 134 E C 1.652 178.328 176.600 0.127 0.000 1.012 134 E CA 0.623 57.096 56.400 0.122 0.000 0.860 134 E CB -0.029 29.759 29.700 0.147 0.000 0.811 134 E HN 0.371 nan 8.360 nan 0.000 0.502 135 V N 1.780 121.714 119.914 0.033 0.000 2.250 135 V HA -0.251 3.864 4.120 -0.008 0.000 0.250 135 V C -0.696 175.454 176.094 0.093 0.000 1.060 135 V CA 2.349 64.644 62.300 -0.009 0.000 1.030 135 V CB -1.530 30.159 31.823 -0.223 0.000 0.643 135 V HN 0.286 nan 8.190 nan 0.000 0.445 136 P HA -0.193 nan 4.420 nan 0.000 0.215 136 P C 1.714 179.137 177.300 0.205 0.000 1.153 136 P CA 1.791 64.999 63.100 0.180 0.000 0.853 136 P CB -0.199 31.603 31.700 0.171 0.000 0.788 137 H N -0.545 118.570 119.070 0.075 0.000 2.321 137 H HA -0.086 4.465 4.556 -0.007 0.000 0.300 137 H C 1.793 177.172 175.328 0.085 0.000 1.087 137 H CA 1.240 57.323 56.048 0.058 0.000 1.319 137 H CB -0.139 29.646 29.762 0.038 0.000 1.379 137 H HN -0.017 nan 8.280 nan 0.000 0.501 138 A N 0.938 123.808 122.820 0.084 0.000 1.933 138 A HA -0.203 4.112 4.320 -0.008 0.000 0.218 138 A C 2.376 180.072 177.584 0.187 0.000 1.175 138 A CA 1.720 53.837 52.037 0.133 0.000 0.628 138 A CB -0.637 18.555 19.000 0.320 0.000 0.814 138 A HN 0.508 nan 8.150 nan 0.000 0.444 139 M N -0.212 119.493 119.600 0.176 0.000 2.159 139 M HA -0.072 4.404 4.480 -0.008 0.000 0.263 139 M C 2.274 178.649 176.300 0.124 0.000 1.063 139 M CA 2.031 57.444 55.300 0.189 0.000 1.110 139 M CB -0.593 32.131 32.600 0.208 0.000 1.374 139 M HN 0.389 nan 8.290 nan 0.000 0.411 140 S N -0.169 115.595 115.700 0.106 0.000 2.356 140 S HA -0.169 4.296 4.470 -0.008 0.000 0.223 140 S C 2.045 176.653 174.600 0.013 0.000 1.032 140 S CA 1.604 59.856 58.200 0.087 0.000 1.005 140 S CB -0.177 63.141 63.200 0.197 0.000 0.867 140 S HN 0.618 nan 8.310 nan 0.000 0.449 141 R N 0.779 121.203 120.500 -0.126 0.000 2.081 141 R HA -0.009 4.327 4.340 -0.008 0.000 0.235 141 R C 2.700 178.759 176.300 -0.401 0.000 1.131 141 R CA 1.331 57.181 56.100 -0.417 0.000 0.960 141 R CB -0.691 29.074 30.300 -0.892 0.000 0.856 141 R HN 0.496 nan 8.270 nan 0.000 0.436 142 A N 1.571 124.329 122.820 -0.104 0.000 1.865 142 A HA -0.187 4.129 4.320 -0.008 0.000 0.217 142 A C 2.205 179.819 177.584 0.050 0.000 1.191 142 A CA 1.467 53.603 52.037 0.164 0.000 0.623 142 A CB -0.653 18.543 19.000 0.325 0.000 0.826 142 A HN 0.197 nan 8.150 nan 0.000 0.444 143 I N -1.026 119.531 120.570 -0.022 0.000 2.151 143 I HA -0.313 3.852 4.170 -0.008 0.000 0.243 143 I C 2.498 178.493 176.117 -0.204 0.000 1.080 143 I CA 1.669 62.895 61.300 -0.123 0.000 1.339 143 I CB -0.652 37.188 38.000 -0.268 0.000 1.039 143 I HN 0.435 nan 8.210 nan 0.000 0.409 144 H N -0.298 118.747 119.070 -0.043 0.000 2.395 144 H HA -0.007 4.544 4.556 -0.008 0.000 0.299 144 H C 2.325 177.598 175.328 -0.092 0.000 1.070 144 H CA 1.043 57.045 56.048 -0.077 0.000 1.356 144 H CB -0.121 29.577 29.762 -0.106 0.000 1.401 144 H HN 0.259 nan 8.280 nan 0.000 0.524 145 M N 0.400 119.977 119.600 -0.037 0.000 2.213 145 M HA -0.041 4.434 4.480 -0.008 0.000 0.263 145 M C 2.405 178.723 176.300 0.029 0.000 1.062 145 M CA 0.873 56.139 55.300 -0.056 0.000 1.105 145 M CB -0.836 31.680 32.600 -0.141 0.000 1.385 145 M HN 0.217 nan 8.290 nan 0.000 0.417 146 A N -1.146 121.705 122.820 0.052 0.000 1.970 146 A HA -0.015 4.300 4.320 -0.008 0.000 0.216 146 A C 2.385 179.992 177.584 0.038 0.000 1.170 146 A CA 1.532 53.610 52.037 0.069 0.000 0.645 146 A CB -0.414 18.641 19.000 0.092 0.000 0.816 146 A HN 0.458 nan 8.150 nan 0.000 0.447 147 S N -0.371 115.345 115.700 0.026 0.000 2.446 147 S HA 0.182 4.647 4.470 -0.008 0.000 0.225 147 S C 0.885 175.489 174.600 0.006 0.000 1.016 147 S CA 0.163 58.374 58.200 0.018 0.000 0.943 147 S CB -0.234 62.976 63.200 0.018 0.000 0.786 147 S HN 0.536 nan 8.310 nan 0.000 0.508 148 M N 1.783 121.386 119.600 0.004 0.000 2.243 148 M HA 0.282 4.758 4.480 -0.008 0.000 0.341 148 M C 0.286 176.556 176.300 -0.050 0.000 1.130 148 M CA -0.382 54.907 55.300 -0.019 0.000 1.162 148 M CB 0.306 32.892 32.600 -0.024 0.000 1.497 148 M HN 0.138 nan 8.290 nan 0.000 0.456 149 A N 4.689 127.469 122.820 -0.067 0.000 2.488 149 A HA 0.424 4.740 4.320 -0.008 0.000 0.249 149 A C -2.222 175.288 177.584 -0.124 0.000 1.083 149 A CA -1.113 50.854 52.037 -0.116 0.000 0.768 149 A CB -0.684 18.253 19.000 -0.104 0.000 1.017 149 A HN 0.526 nan 8.150 nan 0.000 0.496 150 P HA 0.176 nan 4.420 nan 0.000 0.287 150 P C -0.649 176.507 177.300 -0.241 0.000 1.281 150 P CA -0.267 62.625 63.100 -0.346 0.000 0.781 150 P CB 0.806 32.207 31.700 -0.498 0.000 0.903 151 Q N 1.197 120.882 119.800 -0.191 0.000 2.428 151 Q HA 0.479 4.815 4.340 -0.008 0.000 0.276 151 Q C 0.696 176.683 176.000 -0.021 0.000 1.059 151 Q CA 0.457 56.223 55.803 -0.062 0.000 0.923 151 Q CB 0.380 29.109 28.738 -0.015 0.000 1.283 151 Q HN 0.736 nan 8.270 nan 0.000 0.447 152 G N 1.164 109.972 108.800 0.014 0.000 2.451 152 G HA2 0.345 4.301 3.960 -0.008 0.000 0.292 152 G HA3 0.345 4.301 3.960 -0.008 0.000 0.292 152 G C -3.077 171.888 174.900 0.109 0.000 1.427 152 G CA -0.886 44.229 45.100 0.025 0.000 0.792 152 G HN 0.386 nan 8.290 nan 0.000 0.498 153 P HA 0.467 nan 4.420 nan 0.000 0.278 153 P C -0.111 177.336 177.300 0.245 0.000 1.238 153 P CA -0.182 63.032 63.100 0.191 0.000 0.794 153 P CB 1.711 33.526 31.700 0.192 0.000 0.955 154 V N 0.720 120.775 119.914 0.236 0.000 3.001 154 V HA 0.624 4.740 4.120 -0.008 0.000 0.314 154 V C -1.480 174.787 176.094 0.289 0.000 1.099 154 V CA -1.094 61.389 62.300 0.305 0.000 0.989 154 V CB 2.155 34.203 31.823 0.374 0.000 1.040 154 V HN 0.488 nan 8.190 nan 0.000 0.434 155 Y N 2.922 123.271 120.300 0.082 0.000 2.361 155 Y HA 0.827 5.373 4.550 -0.007 0.000 0.337 155 Y C -1.202 174.654 175.900 -0.073 0.000 0.965 155 Y CA -1.239 56.853 58.100 -0.014 0.000 1.091 155 Y CB 2.016 40.443 38.460 -0.055 0.000 1.182 155 Y HN 0.898 nan 8.280 nan 0.000 0.450 156 L N 5.366 126.292 121.223 -0.494 0.000 2.406 156 L HA 0.612 4.947 4.340 -0.008 0.000 0.272 156 L C -1.124 175.397 176.870 -0.582 0.000 0.980 156 L CA -0.191 54.416 54.840 -0.388 0.000 0.831 156 L CB 1.922 43.931 42.059 -0.083 0.000 1.253 156 L HN 0.561 nan 8.230 nan 0.000 0.406 157 S N 4.186 119.591 115.700 -0.490 0.000 2.442 157 S HA 0.838 5.303 4.470 -0.008 0.000 0.297 157 S C -1.047 173.419 174.600 -0.224 0.000 1.131 157 S CA -0.451 57.528 58.200 -0.369 0.000 1.092 157 S CB 0.906 63.944 63.200 -0.269 0.000 0.998 157 S HN 0.469 nan 8.310 nan 0.000 0.478 158 V N 7.406 127.236 119.914 -0.140 0.000 2.443 158 V HA 0.426 4.542 4.120 -0.008 0.000 0.293 158 V C -2.487 173.563 176.094 -0.074 0.000 1.021 158 V CA -2.075 60.136 62.300 -0.149 0.000 0.848 158 V CB 1.586 33.298 31.823 -0.186 0.000 0.998 158 V HN 0.713 nan 8.190 nan 0.000 0.424 159 P HA 0.014 nan 4.420 nan 0.000 0.264 159 P C 0.314 177.592 177.300 -0.037 0.000 1.193 159 P CA 0.059 63.096 63.100 -0.104 0.000 0.763 159 P CB 0.186 31.780 31.700 -0.176 0.000 0.810 160 Y N 2.795 123.156 120.300 0.101 0.000 2.483 160 Y HA -0.149 4.396 4.550 -0.008 0.000 0.291 160 Y C 1.296 177.329 175.900 0.222 0.000 1.143 160 Y CA 1.185 59.442 58.100 0.261 0.000 1.289 160 Y CB -1.133 37.491 38.460 0.275 0.000 0.983 160 Y HN 0.290 nan 8.280 nan 0.000 0.556 161 D N -0.808 119.522 120.400 -0.117 0.000 2.340 161 D HA -0.097 4.538 4.640 -0.008 0.000 0.220 161 D C 0.553 176.846 176.300 -0.012 0.000 1.039 161 D CA 0.496 54.478 54.000 -0.030 0.000 0.866 161 D CB -0.229 40.454 40.800 -0.194 0.000 0.913 161 D HN 0.358 nan 8.370 nan 0.000 0.523 162 D N 0.621 120.945 120.400 -0.126 0.000 2.162 162 D HA -0.064 4.572 4.640 -0.008 0.000 0.203 162 D C 1.657 177.885 176.300 -0.119 0.000 0.967 162 D CA 0.592 54.462 54.000 -0.217 0.000 0.840 162 D CB -0.542 39.992 40.800 -0.442 0.000 0.972 162 D HN 0.373 nan 8.370 nan 0.000 0.482 163 W N 1.625 123.037 121.300 0.185 0.000 2.321 163 W HA -0.156 4.499 4.660 -0.008 0.000 0.306 163 W C 1.758 178.410 176.519 0.221 0.000 1.217 163 W CA 0.699 58.197 57.345 0.255 0.000 1.257 163 W CB -0.241 29.435 29.460 0.360 0.000 1.145 163 W HN -0.073 nan 8.180 nan 0.000 0.509 164 D N -0.192 120.424 120.400 0.359 0.000 2.347 164 D HA -0.044 4.591 4.640 -0.008 0.000 0.215 164 D C 0.982 177.378 176.300 0.161 0.000 0.976 164 D CA 0.823 54.962 54.000 0.231 0.000 0.884 164 D CB -0.253 40.654 40.800 0.179 0.000 0.915 164 D HN -0.038 nan 8.370 nan 0.000 0.526 165 K N 1.579 122.057 120.400 0.130 0.000 2.230 165 K HA 0.066 4.382 4.320 -0.008 0.000 0.253 165 K C 0.165 176.825 176.600 0.100 0.000 1.008 165 K CA -0.211 56.127 56.287 0.085 0.000 0.910 165 K CB 0.470 32.994 32.500 0.040 0.000 0.994 165 K HN -0.022 nan 8.250 nan 0.000 0.495 166 D N 0.442 120.889 120.400 0.078 0.000 2.382 166 D HA 0.169 4.804 4.640 -0.008 0.000 0.245 166 D C -0.090 176.261 176.300 0.085 0.000 1.120 166 D CA 0.121 54.172 54.000 0.085 0.000 0.890 166 D CB 0.892 41.731 40.800 0.066 0.000 1.201 166 D HN 0.448 nan 8.370 nan 0.000 0.433 167 A N 1.642 124.525 122.820 0.105 0.000 2.293 167 A HA 0.221 4.537 4.320 -0.008 0.000 0.302 167 A C 0.075 177.708 177.584 0.080 0.000 1.119 167 A CA -0.641 51.458 52.037 0.104 0.000 0.823 167 A CB 0.707 19.794 19.000 0.146 0.000 1.097 167 A HN 0.457 nan 8.150 nan 0.000 0.491 168 D N 1.600 122.037 120.400 0.062 0.000 2.417 168 D HA 0.212 4.847 4.640 -0.008 0.000 0.250 168 D C -1.617 174.713 176.300 0.050 0.000 1.166 168 D CA -1.594 52.432 54.000 0.044 0.000 0.881 168 D CB 1.055 41.868 40.800 0.022 0.000 1.164 168 D HN 0.106 nan 8.370 nan 0.000 0.467 169 P HA -0.152 nan 4.420 nan 0.000 0.217 169 P C 0.994 178.366 177.300 0.121 0.000 1.148 169 P CA 0.989 64.145 63.100 0.094 0.000 0.828 169 P CB 0.231 31.982 31.700 0.084 0.000 0.783 170 Q N -0.923 118.912 119.800 0.057 0.000 2.541 170 Q HA -0.001 4.334 4.340 -0.008 0.000 0.215 170 Q C 1.880 177.778 176.000 -0.169 0.000 0.977 170 Q CA 0.824 56.627 55.803 0.001 0.000 0.934 170 Q CB -0.794 27.960 28.738 0.027 0.000 0.988 170 Q HN 0.283 nan 8.270 nan 0.000 0.521 171 S N 0.425 116.036 115.700 -0.148 0.000 2.447 171 S HA -0.127 4.338 4.470 -0.008 0.000 0.233 171 S C 1.591 175.828 174.600 -0.604 0.000 1.006 171 S CA 0.848 58.901 58.200 -0.245 0.000 0.957 171 S CB -0.333 62.805 63.200 -0.103 0.000 0.773 171 S HN 0.630 nan 8.310 nan 0.000 0.507 172 H N 0.567 119.249 119.070 -0.647 0.000 2.489 172 H HA -0.084 4.467 4.556 -0.008 0.000 0.295 172 H C 1.281 176.158 175.328 -0.753 0.000 1.082 172 H CA 1.418 56.808 56.048 -1.096 0.000 1.295 172 H CB -0.711 28.789 29.762 -0.437 0.000 1.380 172 H HN 0.490 nan 8.280 nan 0.000 0.548 173 H N 0.769 119.302 119.070 -0.895 0.000 2.543 173 H HA 0.018 4.569 4.556 -0.008 0.000 0.286 173 H C 2.317 177.485 175.328 -0.266 0.000 1.037 173 H CA 0.890 56.637 56.048 -0.501 0.000 1.250 173 H CB 0.335 29.824 29.762 -0.456 0.000 1.373 173 H HN 0.424 nan 8.280 nan 0.000 0.580 174 L N -0.852 120.235 121.223 -0.228 0.000 2.202 174 L HA -0.069 4.267 4.340 -0.008 0.000 0.205 174 L C 2.114 179.061 176.870 0.128 0.000 1.083 174 L CA 0.126 54.945 54.840 -0.035 0.000 0.790 174 L CB -0.415 41.633 42.059 -0.018 0.000 0.942 174 L HN 0.016 nan 8.230 nan 0.000 0.452 175 F N 1.033 121.046 119.950 0.105 0.000 2.048 175 F HA -0.321 4.201 4.527 -0.008 0.000 0.296 175 F C 1.807 177.674 175.800 0.111 0.000 1.109 175 F CA 1.293 59.357 58.000 0.107 0.000 1.214 175 F CB -0.903 38.159 39.000 0.103 0.000 0.963 175 F HN 0.190 nan 8.300 nan 0.000 0.491 176 D N -0.210 120.376 120.400 0.310 0.000 2.463 176 D HA 0.066 4.701 4.640 -0.008 0.000 0.224 176 D C 0.304 176.721 176.300 0.194 0.000 1.174 176 D CA -0.076 54.059 54.000 0.225 0.000 0.829 176 D CB -0.051 40.865 40.800 0.194 0.000 0.993 176 D HN 0.163 nan 8.370 nan 0.000 0.497 177 R N 1.130 121.743 120.500 0.188 0.000 2.522 177 R HA 0.045 4.381 4.340 -0.008 0.000 0.284 177 R C 0.262 176.647 176.300 0.142 0.000 1.032 177 R CA 0.313 56.489 56.100 0.126 0.000 1.049 177 R CB 0.534 30.874 30.300 0.067 0.000 0.956 177 R HN 0.147 nan 8.270 nan 0.000 0.422 178 H N 3.330 122.411 119.070 0.019 0.000 2.638 178 H HA 0.257 4.809 4.556 -0.008 0.000 0.317 178 H C -1.280 174.018 175.328 -0.051 0.000 1.006 178 H CA -0.591 55.474 56.048 0.027 0.000 1.222 178 H CB 0.991 30.775 29.762 0.037 0.000 1.419 178 H HN 0.214 nan 8.280 nan 0.000 0.489 179 V N 4.364 124.195 119.914 -0.139 0.000 2.398 179 V HA 0.279 4.395 4.120 -0.008 0.000 0.286 179 V C 0.370 176.467 176.094 0.005 0.000 1.026 179 V CA -0.548 61.694 62.300 -0.096 0.000 0.868 179 V CB 1.453 33.111 31.823 -0.275 0.000 0.982 179 V HN 0.757 nan 8.190 nan 0.000 0.443 180 S N 2.673 118.422 115.700 0.081 0.000 2.513 180 S HA 0.615 5.081 4.470 -0.008 0.000 0.299 180 S C 0.372 174.991 174.600 0.030 0.000 1.087 180 S CA 0.098 58.354 58.200 0.094 0.000 1.012 180 S CB 1.875 65.163 63.200 0.146 0.000 1.044 180 S HN 0.997 nan 8.310 nan 0.000 0.485 181 S N 1.855 117.567 115.700 0.021 0.000 2.952 181 S HA 0.205 4.671 4.470 -0.008 0.000 0.251 181 S C 0.211 174.811 174.600 -0.001 0.000 1.021 181 S CA -0.322 57.877 58.200 -0.003 0.000 1.067 181 S CB 0.197 63.385 63.200 -0.020 0.000 1.002 181 S HN 0.541 nan 8.310 nan 0.000 0.574 182 S N 2.777 118.486 115.700 0.016 0.000 4.120 182 S HA 0.423 4.889 4.470 -0.008 0.000 0.215 182 S C 0.295 174.898 174.600 0.005 0.000 1.347 182 S CA -0.211 57.997 58.200 0.014 0.000 0.889 182 S CB -1.270 61.947 63.200 0.029 0.000 1.585 182 S HN 0.726 nan 8.310 nan 0.000 0.447 183 V N 2.595 122.507 119.914 -0.004 0.000 3.019 183 V HA 0.998 5.114 4.120 -0.008 0.000 0.317 183 V C -0.687 175.401 176.094 -0.009 0.000 1.094 183 V CA -1.373 60.923 62.300 -0.007 0.000 1.000 183 V CB 1.887 33.703 31.823 -0.011 0.000 1.060 183 V HN 0.725 nan 8.190 nan 0.000 0.443 184 R N 1.766 122.261 120.500 -0.008 0.000 2.739 184 R HA 0.729 5.064 4.340 -0.008 0.000 0.271 184 R C -1.040 175.255 176.300 -0.008 0.000 1.010 184 R CA -0.962 55.134 56.100 -0.008 0.000 0.897 184 R CB 0.623 30.921 30.300 -0.004 0.000 1.236 184 R HN 0.863 nan 8.270 nan 0.000 0.466 185 L N 2.058 123.276 121.223 -0.008 0.000 2.573 185 L HA 0.085 4.421 4.340 -0.008 0.000 0.290 185 L C -0.357 176.509 176.870 -0.006 0.000 1.247 185 L CA 0.690 55.525 54.840 -0.008 0.000 0.876 185 L CB -0.166 41.889 42.059 -0.007 0.000 1.123 185 L HN 0.942 nan 8.230 nan 0.000 0.505 186 N N 1.937 120.633 118.700 -0.007 0.000 2.381 186 N HA -0.026 4.710 4.740 -0.008 0.000 0.241 186 N C 0.453 175.960 175.510 -0.004 0.000 1.279 186 N CA 0.078 53.125 53.050 -0.005 0.000 0.896 186 N CB 0.242 38.726 38.487 -0.006 0.000 1.118 186 N HN 0.601 nan 8.380 nan 0.000 0.438 187 D N -0.082 120.316 120.400 -0.003 0.000 2.127 187 D HA -0.287 4.349 4.640 -0.008 0.000 0.190 187 D C 1.570 177.869 176.300 -0.002 0.000 1.000 187 D CA 1.639 55.638 54.000 -0.002 0.000 0.839 187 D CB -0.499 40.300 40.800 -0.002 0.000 0.955 187 D HN 0.831 nan 8.370 nan 0.000 0.446 188 Q N 0.339 120.138 119.800 -0.002 0.000 2.045 188 Q HA -0.202 4.133 4.340 -0.008 0.000 0.206 188 Q C 1.333 177.332 176.000 -0.002 0.000 0.991 188 Q CA 1.898 57.700 55.803 -0.002 0.000 0.851 188 Q CB 0.026 28.763 28.738 -0.002 0.000 0.911 188 Q HN 0.155 nan 8.270 nan 0.000 0.418 189 D N 0.254 120.653 120.400 -0.003 0.000 2.178 189 D HA -0.125 4.510 4.640 -0.008 0.000 0.202 189 D C 1.845 178.144 176.300 -0.002 0.000 0.974 189 D CA 0.504 54.502 54.000 -0.003 0.000 0.841 189 D CB -0.142 40.655 40.800 -0.005 0.000 0.953 189 D HN 0.232 nan 8.370 nan 0.000 0.478 190 L N 1.117 122.338 121.223 -0.002 0.000 2.056 190 L HA -0.117 4.219 4.340 -0.008 0.000 0.207 190 L C 1.376 178.247 176.870 0.001 0.000 1.078 190 L CA 1.767 56.607 54.840 -0.000 0.000 0.749 190 L CB -0.437 41.622 42.059 -0.000 0.000 0.901 190 L HN -0.159 nan 8.230 nan 0.000 0.433 191 D N -0.303 120.098 120.400 0.001 0.000 2.144 191 D HA -0.180 4.455 4.640 -0.008 0.000 0.199 191 D C 2.343 178.645 176.300 0.003 0.000 0.984 191 D CA 1.708 55.709 54.000 0.003 0.000 0.834 191 D CB -0.056 40.745 40.800 0.002 0.000 0.955 191 D HN 0.434 nan 8.370 nan 0.000 0.465 192 I N 0.552 121.124 120.570 0.002 0.000 2.208 192 I HA -0.252 3.914 4.170 -0.008 0.000 0.245 192 I C 2.397 178.516 176.117 0.003 0.000 1.097 192 I CA 0.528 61.830 61.300 0.002 0.000 1.363 192 I CB -0.148 37.853 38.000 0.001 0.000 1.051 192 I HN 0.023 nan 8.210 nan 0.000 0.413 193 L N 0.622 121.846 121.223 0.002 0.000 2.027 193 L HA -0.133 4.203 4.340 -0.008 0.000 0.206 193 L C 2.417 179.291 176.870 0.006 0.000 1.074 193 L CA 1.777 56.619 54.840 0.003 0.000 0.745 193 L CB -0.577 41.483 42.059 0.001 0.000 0.898 193 L HN -0.037 nan 8.230 nan 0.000 0.433 194 V N 0.027 119.945 119.914 0.007 0.000 2.332 194 V HA -0.333 3.782 4.120 -0.008 0.000 0.248 194 V C 2.632 178.732 176.094 0.010 0.000 1.055 194 V CA 2.193 64.499 62.300 0.009 0.000 1.038 194 V CB -0.809 31.019 31.823 0.008 0.000 0.651 194 V HN 0.476 nan 8.190 nan 0.000 0.450 195 K N 0.126 120.532 120.400 0.009 0.000 2.097 195 K HA -0.121 4.194 4.320 -0.008 0.000 0.206 195 K C 2.327 178.933 176.600 0.011 0.000 1.049 195 K CA 1.420 57.712 56.287 0.009 0.000 0.933 195 K CB -0.408 32.097 32.500 0.007 0.000 0.717 195 K HN 0.489 nan 8.250 nan 0.000 0.442 196 A N 1.516 124.342 122.820 0.010 0.000 1.902 196 A HA -0.133 4.182 4.320 -0.008 0.000 0.217 196 A C 2.123 179.716 177.584 0.016 0.000 1.181 196 A CA 1.239 53.283 52.037 0.012 0.000 0.623 196 A CB -0.603 18.403 19.000 0.010 0.000 0.818 196 A HN 0.147 nan 8.150 nan 0.000 0.443 197 L N -0.416 120.816 121.223 0.016 0.000 2.056 197 L HA -0.182 4.153 4.340 -0.008 0.000 0.207 197 L C 2.195 179.078 176.870 0.022 0.000 1.078 197 L CA 1.206 56.057 54.840 0.020 0.000 0.749 197 L CB -0.685 41.384 42.059 0.018 0.000 0.901 197 L HN 0.334 nan 8.230 nan 0.000 0.433 198 N N -0.356 118.355 118.700 0.018 0.000 2.223 198 N HA -0.124 4.611 4.740 -0.008 0.000 0.185 198 N C 1.923 177.445 175.510 0.019 0.000 1.016 198 N CA 1.313 54.374 53.050 0.018 0.000 0.863 198 N CB -0.132 38.364 38.487 0.015 0.000 0.983 198 N HN 0.189 nan 8.380 nan 0.000 0.429 199 S N 0.119 115.830 115.700 0.018 0.000 2.501 199 S HA 0.208 4.674 4.470 -0.008 0.000 0.220 199 S C 0.863 175.476 174.600 0.021 0.000 0.997 199 S CA -0.187 58.023 58.200 0.017 0.000 0.919 199 S CB 0.031 63.240 63.200 0.014 0.000 0.778 199 S HN 0.429 nan 8.310 nan 0.000 0.523 200 A N 2.249 125.085 122.820 0.027 0.000 2.566 200 A HA 0.231 4.546 4.320 -0.008 0.000 0.245 200 A C 1.412 179.018 177.584 0.036 0.000 1.056 200 A CA 0.291 52.349 52.037 0.035 0.000 0.757 200 A CB 0.082 19.108 19.000 0.044 0.000 0.979 200 A HN 0.441 nan 8.150 nan 0.000 0.508 201 S N 1.521 117.241 115.700 0.034 0.000 2.446 201 S HA -0.015 4.451 4.470 -0.008 0.000 0.225 201 S C 0.724 175.347 174.600 0.038 0.000 1.016 201 S CA 0.907 59.124 58.200 0.028 0.000 0.943 201 S CB -0.119 63.090 63.200 0.016 0.000 0.786 201 S HN 0.831 nan 8.310 nan 0.000 0.508 202 N N 1.935 120.671 118.700 0.061 0.000 2.697 202 N HA 0.354 5.089 4.740 -0.008 0.000 0.253 202 N C -3.215 172.439 175.510 0.240 0.000 1.604 202 N CA -1.711 51.401 53.050 0.103 0.000 0.772 202 N CB 1.317 39.807 38.487 0.005 0.000 1.267 202 N HN 0.127 nan 8.380 nan 0.000 0.510 203 P HA 0.335 nan 4.420 nan 0.000 0.272 203 P C -1.020 176.335 177.300 0.092 0.000 1.230 203 P CA -0.296 62.883 63.100 0.132 0.000 0.788 203 P CB 1.474 33.214 31.700 0.067 0.000 0.949 204 A N 2.289 125.085 122.820 -0.040 0.000 2.486 204 A HA 0.731 5.046 4.320 -0.008 0.000 0.300 204 A C -0.833 176.709 177.584 -0.071 0.000 1.048 204 A CA -0.773 51.150 52.037 -0.191 0.000 0.696 204 A CB 1.111 19.788 19.000 -0.539 0.000 1.278 204 A HN 0.431 nan 8.150 nan 0.000 0.405 205 I N 1.613 122.149 120.570 -0.056 0.000 2.465 205 I HA 0.506 4.672 4.170 -0.008 0.000 0.291 205 I C -0.946 175.168 176.117 -0.004 0.000 1.014 205 I CA -0.995 60.278 61.300 -0.044 0.000 1.093 205 I CB 2.154 40.092 38.000 -0.103 0.000 1.267 205 I HN 0.315 nan 8.210 nan 0.000 0.431 206 V N 7.095 127.019 119.914 0.018 0.000 2.444 206 V HA 0.468 4.583 4.120 -0.008 0.000 0.294 206 V C -0.171 175.940 176.094 0.029 0.000 1.022 206 V CA -0.507 61.815 62.300 0.036 0.000 0.850 206 V CB 1.798 33.657 31.823 0.060 0.000 0.992 206 V HN 0.470 nan 8.190 nan 0.000 0.426 207 L N 4.069 125.299 121.223 0.012 0.000 2.325 207 L HA 0.872 5.208 4.340 -0.008 0.000 0.278 207 L C 0.763 177.668 176.870 0.059 0.000 1.023 207 L CA -0.307 54.556 54.840 0.038 0.000 0.811 207 L CB 1.866 43.951 42.059 0.043 0.000 1.249 207 L HN 0.741 nan 8.230 nan 0.000 0.431 208 G N 0.886 109.730 108.800 0.074 0.000 2.667 208 G HA2 0.501 4.457 3.960 -0.008 0.000 0.310 208 G HA3 0.501 4.457 3.960 -0.008 0.000 0.310 208 G C -1.979 172.985 174.900 0.106 0.000 1.259 208 G CA -1.025 44.126 45.100 0.083 0.000 1.019 208 G HN 0.422 nan 8.290 nan 0.000 0.496 209 P HA -0.126 nan 4.420 nan 0.000 0.216 209 P C 0.659 178.037 177.300 0.130 0.000 1.150 209 P CA 1.178 64.360 63.100 0.137 0.000 0.843 209 P CB 0.247 32.027 31.700 0.133 0.000 0.787 210 D N -0.388 120.089 120.400 0.128 0.000 2.309 210 D HA -0.072 4.563 4.640 -0.008 0.000 0.212 210 D C 2.022 178.370 176.300 0.080 0.000 0.968 210 D CA 0.632 54.699 54.000 0.112 0.000 0.882 210 D CB -0.251 40.609 40.800 0.099 0.000 0.918 210 D HN 0.095 nan 8.370 nan 0.000 0.503 211 V N 1.032 120.997 119.914 0.085 0.000 2.307 211 V HA -0.224 3.892 4.120 -0.008 0.000 0.245 211 V C 2.190 178.331 176.094 0.078 0.000 1.045 211 V CA 1.801 64.148 62.300 0.078 0.000 1.024 211 V CB -0.328 31.552 31.823 0.094 0.000 0.651 211 V HN 0.065 nan 8.190 nan 0.000 0.449 212 D N 0.082 120.536 120.400 0.090 0.000 2.144 212 D HA -0.105 4.530 4.640 -0.008 0.000 0.200 212 D C 2.091 178.441 176.300 0.082 0.000 0.978 212 D CA 1.339 55.386 54.000 0.079 0.000 0.833 212 D CB -0.101 40.745 40.800 0.076 0.000 0.961 212 D HN 0.358 nan 8.370 nan 0.000 0.470 213 A N 0.312 123.190 122.820 0.096 0.000 1.933 213 A HA 0.057 4.372 4.320 -0.008 0.000 0.218 213 A C 2.232 179.854 177.584 0.063 0.000 1.175 213 A CA 1.881 53.975 52.037 0.095 0.000 0.628 213 A CB -0.772 18.290 19.000 0.103 0.000 0.814 213 A HN 0.299 nan 8.150 nan 0.000 0.444 214 A N -1.253 121.598 122.820 0.051 0.000 2.251 214 A HA 0.252 4.568 4.320 -0.008 0.000 0.209 214 A C 0.920 178.525 177.584 0.034 0.000 1.187 214 A CA 0.816 52.874 52.037 0.035 0.000 0.823 214 A CB -0.617 18.399 19.000 0.027 0.000 0.846 214 A HN 0.825 nan 8.150 nan 0.000 0.486 215 N N -2.156 116.568 118.700 0.040 0.000 2.740 215 N HA -0.227 4.509 4.740 -0.008 0.000 0.248 215 N C 0.410 175.935 175.510 0.026 0.000 1.062 215 N CA 1.022 54.090 53.050 0.030 0.000 0.704 215 N CB -1.354 37.146 38.487 0.023 0.000 0.968 215 N HN 0.549 nan 8.380 nan 0.000 0.547 216 A N -0.654 122.187 122.820 0.036 0.000 2.379 216 A HA 0.215 4.530 4.320 -0.008 0.000 0.236 216 A C 1.637 179.248 177.584 0.045 0.000 1.272 216 A CA 0.433 52.492 52.037 0.037 0.000 0.886 216 A CB -0.079 18.946 19.000 0.041 0.000 0.962 216 A HN 0.536 nan 8.150 nan 0.000 0.504 217 N N 1.894 120.616 118.700 0.037 0.000 2.018 217 N HA -0.212 4.524 4.740 -0.008 0.000 0.196 217 N C 1.906 177.405 175.510 -0.019 0.000 1.043 217 N CA 2.038 55.103 53.050 0.026 0.000 0.856 217 N CB -0.530 37.946 38.487 -0.018 0.000 1.042 217 N HN 0.447 nan 8.380 nan 0.000 0.423 218 A N 1.226 124.025 122.820 -0.036 0.000 1.873 218 A HA -0.226 4.090 4.320 -0.008 0.000 0.218 218 A C 1.792 179.369 177.584 -0.012 0.000 1.193 218 A CA 2.074 54.083 52.037 -0.047 0.000 0.629 218 A CB -0.840 18.142 19.000 -0.030 0.000 0.826 218 A HN 0.211 nan 8.150 nan 0.000 0.447 219 D N -0.669 119.739 120.400 0.014 0.000 2.149 219 D HA -0.126 4.509 4.640 -0.008 0.000 0.198 219 D C 2.009 178.344 176.300 0.058 0.000 0.990 219 D CA 1.400 55.418 54.000 0.030 0.000 0.839 219 D CB -0.533 40.284 40.800 0.029 0.000 0.948 219 D HN 0.468 nan 8.370 nan 0.000 0.460 220 C N 0.070 119.424 119.300 0.091 0.000 2.435 220 C HA -0.032 4.423 4.460 -0.008 0.000 0.279 220 C C 2.911 178.063 174.990 0.270 0.000 1.321 220 C CA -0.029 59.089 59.018 0.167 0.000 1.752 220 C CB -0.700 27.176 27.740 0.227 0.000 1.959 220 C HN 0.168 nan 8.230 nan 0.000 0.500 221 V N 1.045 121.054 119.914 0.158 0.000 2.295 221 V HA -0.313 3.803 4.120 -0.008 0.000 0.246 221 V C 2.392 178.530 176.094 0.074 0.000 1.049 221 V CA 2.448 64.752 62.300 0.006 0.000 1.024 221 V CB -0.673 30.980 31.823 -0.282 0.000 0.648 221 V HN 0.629 nan 8.190 nan 0.000 0.447 222 M N -0.284 119.350 119.600 0.055 0.000 2.065 222 M HA -0.200 4.276 4.480 -0.008 0.000 0.259 222 M C 2.081 178.423 176.300 0.070 0.000 1.069 222 M CA 2.155 57.491 55.300 0.060 0.000 1.110 222 M CB -0.429 32.195 32.600 0.039 0.000 1.328 222 M HN 0.289 nan 8.290 nan 0.000 0.405 223 L N 0.919 122.183 121.223 0.067 0.000 2.043 223 L HA -0.156 4.179 4.340 -0.008 0.000 0.212 223 L C 2.441 179.345 176.870 0.056 0.000 1.075 223 L CA 2.436 57.310 54.840 0.055 0.000 0.752 223 L CB -1.180 40.909 42.059 0.049 0.000 0.891 223 L HN 0.441 nan 8.230 nan 0.000 0.432 224 A N -1.023 121.843 122.820 0.075 0.000 1.930 224 A HA -0.198 4.117 4.320 -0.008 0.000 0.217 224 A C 2.134 179.770 177.584 0.087 0.000 1.175 224 A CA 1.712 53.780 52.037 0.052 0.000 0.627 224 A CB -0.567 18.456 19.000 0.038 0.000 0.815 224 A HN 0.648 nan 8.150 nan 0.000 0.443 225 E N -0.514 119.760 120.200 0.123 0.000 2.107 225 E HA -0.140 4.205 4.350 -0.008 0.000 0.191 225 E C 2.259 178.911 176.600 0.086 0.000 0.982 225 E CA 0.690 57.173 56.400 0.138 0.000 0.809 225 E CB -0.142 29.655 29.700 0.163 0.000 0.756 225 E HN 0.418 nan 8.360 nan 0.000 0.459 226 R N 0.765 121.305 120.500 0.067 0.000 2.073 226 R HA -0.069 4.267 4.340 -0.008 0.000 0.234 226 R C 2.340 178.667 176.300 0.044 0.000 1.134 226 R CA 0.947 57.077 56.100 0.049 0.000 0.952 226 R CB -0.741 29.583 30.300 0.041 0.000 0.850 226 R HN 0.247 nan 8.270 nan 0.000 0.433 227 L N 1.442 122.691 121.223 0.043 0.000 2.552 227 L HA 0.038 4.374 4.340 -0.008 0.000 0.227 227 L C 0.137 177.033 176.870 0.044 0.000 1.146 227 L CA 0.155 55.018 54.840 0.039 0.000 0.858 227 L CB -0.212 41.865 42.059 0.031 0.000 0.969 227 L HN 0.058 nan 8.230 nan 0.000 0.451 228 K N -0.104 120.328 120.400 0.053 0.000 3.148 228 K HA -0.182 4.134 4.320 -0.008 0.000 0.267 228 K C -0.025 176.606 176.600 0.052 0.000 0.996 228 K CA 0.872 57.195 56.287 0.059 0.000 0.737 228 K CB -1.887 30.643 32.500 0.050 0.000 1.308 228 K HN 0.363 nan 8.250 nan 0.000 0.470 229 A N 0.944 123.785 122.820 0.035 0.000 2.337 229 A HA 0.735 5.050 4.320 -0.008 0.000 0.331 229 A C -2.210 175.343 177.584 -0.053 0.000 1.137 229 A CA -1.469 50.573 52.037 0.009 0.000 0.807 229 A CB 1.222 20.220 19.000 -0.004 0.000 1.250 229 A HN -0.004 nan 8.150 nan 0.000 0.468 230 P HA 0.348 nan 4.420 nan 0.000 0.275 230 P C -0.837 176.245 177.300 -0.362 0.000 1.228 230 P CA -0.041 62.913 63.100 -0.244 0.000 0.786 230 P CB 1.161 32.719 31.700 -0.238 0.000 0.927 231 V N 2.893 122.472 119.914 -0.559 0.000 2.487 231 V HA 0.369 4.484 4.120 -0.008 0.000 0.298 231 V C -0.570 175.102 176.094 -0.703 0.000 1.028 231 V CA -0.278 61.671 62.300 -0.585 0.000 0.860 231 V CB 1.252 32.508 31.823 -0.945 0.000 0.991 231 V HN 0.594 nan 8.190 nan 0.000 0.427 232 W N 2.599 123.666 121.300 -0.388 0.000 2.719 232 W HA 0.756 5.413 4.660 -0.005 0.000 0.352 232 W C -0.548 175.793 176.519 -0.297 0.000 1.085 232 W CA -0.910 56.181 57.345 -0.423 0.000 1.187 232 W CB 1.523 30.749 29.460 -0.391 0.000 1.417 232 W HN 0.276 nan 8.180 nan 0.000 0.557 233 V N 2.855 122.726 119.914 -0.070 0.000 2.427 233 V HA 0.584 4.700 4.120 -0.008 0.000 0.286 233 V C 0.549 176.535 176.094 -0.180 0.000 1.034 233 V CA -1.273 60.963 62.300 -0.107 0.000 0.893 233 V CB 0.446 32.099 31.823 -0.283 0.000 0.982 233 V HN 0.691 nan 8.190 nan 0.000 0.452 234 A N 8.465 131.218 122.820 -0.113 0.000 2.555 234 A HA 0.368 4.683 4.320 -0.008 0.000 0.233 234 A C -1.794 175.678 177.584 -0.187 0.000 1.060 234 A CA -0.660 51.292 52.037 -0.142 0.000 0.759 234 A CB -0.421 18.581 19.000 0.003 0.000 0.995 234 A HN 0.707 nan 8.150 nan 0.000 0.506 235 P HA 0.028 nan 4.420 nan 0.000 0.267 235 P C 0.031 177.285 177.300 -0.077 0.000 1.201 235 P CA 0.740 63.733 63.100 -0.177 0.000 0.775 235 P CB 0.465 32.069 31.700 -0.159 0.000 0.854 236 S N -1.396 114.270 115.700 -0.057 0.000 3.587 236 S HA -0.182 4.284 4.470 -0.008 0.000 0.337 236 S C 0.673 175.331 174.600 0.096 0.000 1.119 236 S CA 0.711 58.936 58.200 0.042 0.000 0.976 236 S CB -2.218 61.061 63.200 0.132 0.000 0.922 236 S HN 0.974 nan 8.310 nan 0.000 0.503 237 A N 0.774 123.604 122.820 0.018 0.000 2.563 237 A HA 0.306 4.622 4.320 -0.008 0.000 0.256 237 A C -0.599 177.250 177.584 0.442 0.000 1.056 237 A CA -0.184 51.957 52.037 0.173 0.000 0.775 237 A CB 0.066 19.119 19.000 0.087 0.000 0.973 237 A HN 0.321 nan 8.150 nan 0.000 0.516 238 P HA 0.074 nan 4.420 nan 0.000 0.235 238 P C 0.202 177.729 177.300 0.378 0.000 1.177 238 P CA 0.784 64.114 63.100 0.383 0.000 0.785 238 P CB 0.365 32.178 31.700 0.188 0.000 0.885 239 R N -2.711 118.027 120.500 0.396 0.000 2.781 239 R HA 0.543 4.878 4.340 -0.008 0.000 0.269 239 R C -1.462 175.092 176.300 0.423 0.000 1.025 239 R CA -0.800 55.477 56.100 0.295 0.000 0.914 239 R CB 1.041 31.405 30.300 0.108 0.000 1.236 239 R HN -0.155 nan 8.270 nan 0.000 0.465 240 C N 2.944 122.409 119.300 0.274 0.000 2.264 240 C HA 0.526 4.981 4.460 -0.008 0.000 0.324 240 C C -1.694 173.397 174.990 0.169 0.000 1.267 240 C CA -1.895 57.298 59.018 0.292 0.000 1.618 240 C CB 0.695 28.451 27.740 0.026 0.000 2.278 240 C HN 0.628 nan 8.230 nan 0.000 0.499 241 P HA 0.219 nan 4.420 nan 0.000 0.268 241 P C -0.322 177.125 177.300 0.245 0.000 1.329 241 P CA 0.241 63.449 63.100 0.179 0.000 0.899 241 P CB 0.121 31.928 31.700 0.177 0.000 1.378 242 F N 1.735 121.655 119.950 -0.050 0.000 2.665 242 F HA 0.450 4.973 4.527 -0.007 0.000 0.308 242 F C -2.609 173.013 175.800 -0.296 0.000 1.112 242 F CA -2.311 55.606 58.000 -0.140 0.000 0.972 242 F CB 2.163 41.115 39.000 -0.081 0.000 1.295 242 F HN -0.335 nan 8.300 nan 0.000 0.440 243 P HA 0.072 nan 4.420 nan 0.000 0.271 243 P C 0.463 177.512 177.300 -0.419 0.000 1.233 243 P CA 0.149 63.029 63.100 -0.367 0.000 0.764 243 P CB 0.768 32.274 31.700 -0.324 0.000 0.825 244 T N 0.901 115.140 114.554 -0.525 0.000 3.139 244 T HA -0.060 4.285 4.350 -0.008 0.000 0.267 244 T C 1.121 175.754 174.700 -0.112 0.000 1.164 244 T CA 0.693 62.366 62.100 -0.712 0.000 1.075 244 T CB -0.357 68.297 68.868 -0.357 0.000 0.904 244 T HN 0.237 nan 8.240 nan 0.000 0.540 245 R N 0.270 120.743 120.500 -0.045 0.000 2.543 245 R HA 0.209 4.544 4.340 -0.008 0.000 0.323 245 R C 0.220 176.573 176.300 0.087 0.000 1.002 245 R CA -0.360 55.772 56.100 0.053 0.000 1.106 245 R CB -0.323 29.978 30.300 0.001 0.000 1.280 245 R HN 0.595 nan 8.270 nan 0.000 0.549 246 H N 3.339 122.428 119.070 0.031 0.000 2.815 246 H HA 0.074 4.625 4.556 -0.008 0.000 0.350 246 H C -1.380 174.032 175.328 0.141 0.000 1.080 246 H CA -1.265 54.818 56.048 0.057 0.000 1.433 246 H CB 1.621 31.400 29.762 0.028 0.000 1.432 246 H HN -0.130 nan 8.280 nan 0.000 0.592 247 P HA -0.176 nan 4.420 nan 0.000 0.218 247 P C 1.359 178.793 177.300 0.224 0.000 1.146 247 P CA 1.221 64.347 63.100 0.044 0.000 0.820 247 P CB -0.045 31.594 31.700 -0.101 0.000 0.778 248 C N -2.294 117.351 119.300 0.575 0.000 2.464 248 C HA 0.131 4.586 4.460 -0.008 0.000 0.278 248 C C 1.479 176.512 174.990 0.072 0.000 1.375 248 C CA -0.621 58.560 59.018 0.272 0.000 1.761 248 C CB -1.864 26.014 27.740 0.231 0.000 1.944 248 C HN 0.108 nan 8.230 nan 0.000 0.509 249 F N 2.284 122.282 119.950 0.080 0.000 2.623 249 F HA 0.093 4.616 4.527 -0.007 0.000 0.383 249 F C 1.290 176.906 175.800 -0.306 0.000 1.077 249 F CA 0.554 58.488 58.000 -0.110 0.000 1.268 249 F CB 0.456 39.531 39.000 0.125 0.000 1.053 249 F HN 0.044 nan 8.300 nan 0.000 0.571 250 R N 3.823 123.556 120.500 -1.278 0.000 2.565 250 R HA 0.305 4.640 4.340 -0.008 0.000 0.347 250 R C 0.594 176.100 176.300 -1.323 0.000 1.010 250 R CA 0.345 55.615 56.100 -1.383 0.000 1.126 250 R CB 0.006 28.985 30.300 -2.203 0.000 1.331 250 R HN 0.971 nan 8.270 nan 0.000 0.552 251 G N 1.330 109.013 108.800 -1.863 0.000 2.698 251 G HA2 -0.279 3.677 3.960 -0.008 0.000 0.225 251 G HA3 -0.279 3.677 3.960 -0.008 0.000 0.225 251 G C -0.921 173.606 174.900 -0.621 0.000 1.345 251 G CA -0.498 43.968 45.100 -1.058 0.000 0.871 251 G HN 0.197 nan 8.290 nan 0.000 0.540 252 L N 0.722 121.649 121.223 -0.492 0.000 2.319 252 L HA 0.702 5.037 4.340 -0.008 0.000 0.280 252 L C 1.070 177.742 176.870 -0.330 0.000 1.099 252 L CA -0.238 54.231 54.840 -0.618 0.000 0.828 252 L CB 0.572 41.994 42.059 -1.061 0.000 1.150 252 L HN 0.607 nan 8.230 nan 0.000 0.442 253 M N 7.811 127.236 119.600 -0.292 0.000 2.228 253 M HA 0.274 4.749 4.480 -0.008 0.000 0.351 253 M C -1.994 174.144 176.300 -0.271 0.000 1.233 253 M CA -1.512 53.606 55.300 -0.303 0.000 1.129 253 M CB 0.464 32.799 32.600 -0.442 0.000 1.604 253 M HN 0.492 nan 8.290 nan 0.000 0.457 254 P HA 0.099 nan 4.420 nan 0.000 0.271 254 P C -0.705 176.543 177.300 -0.087 0.000 1.216 254 P CA -0.216 62.795 63.100 -0.148 0.000 0.776 254 P CB 0.572 32.198 31.700 -0.123 0.000 0.881 255 A N 2.957 125.776 122.820 -0.001 0.000 2.900 255 A HA 0.425 4.740 4.320 -0.008 0.000 0.246 255 A C 0.924 178.667 177.584 0.265 0.000 1.725 255 A CA 0.136 52.261 52.037 0.146 0.000 1.400 255 A CB -1.446 17.695 19.000 0.236 0.000 0.973 255 A HN 0.642 nan 8.150 nan 0.000 0.635 256 G N -0.784 108.129 108.800 0.189 0.000 2.591 256 G HA2 0.489 4.445 3.960 -0.008 0.000 0.306 256 G HA3 0.489 4.445 3.960 -0.008 0.000 0.306 256 G C 0.640 175.542 174.900 0.003 0.000 1.334 256 G CA -0.647 44.502 45.100 0.081 0.000 0.981 256 G HN 0.179 nan 8.290 nan 0.000 0.491 257 I N 1.616 121.968 120.570 -0.364 0.000 2.099 257 I HA -0.256 3.910 4.170 -0.008 0.000 0.239 257 I C 3.092 179.110 176.117 -0.165 0.000 1.066 257 I CA 1.864 62.897 61.300 -0.445 0.000 1.324 257 I CB -0.135 37.478 38.000 -0.644 0.000 1.037 257 I HN 0.560 nan 8.210 nan 0.000 0.401 258 A N 0.729 123.425 122.820 -0.206 0.000 1.877 258 A HA -0.203 4.113 4.320 -0.008 0.000 0.216 258 A C 2.558 180.070 177.584 -0.119 0.000 1.186 258 A CA 2.034 53.977 52.037 -0.156 0.000 0.620 258 A CB -1.032 17.865 19.000 -0.171 0.000 0.822 258 A HN 0.460 nan 8.150 nan 0.000 0.443 259 A N -0.148 122.603 122.820 -0.116 0.000 1.917 259 A HA -0.170 4.145 4.320 -0.008 0.000 0.219 259 A C 2.152 179.631 177.584 -0.175 0.000 1.182 259 A CA 1.791 53.753 52.037 -0.126 0.000 0.633 259 A CB -0.640 18.294 19.000 -0.110 0.000 0.819 259 A HN 0.532 nan 8.150 nan 0.000 0.448 260 I N 0.368 120.843 120.570 -0.158 0.000 2.286 260 I HA -0.200 3.965 4.170 -0.008 0.000 0.245 260 I C 2.809 178.814 176.117 -0.188 0.000 1.104 260 I CA 1.442 62.590 61.300 -0.254 0.000 1.397 260 I CB -0.282 37.569 38.000 -0.248 0.000 1.072 260 I HN 0.517 nan 8.210 nan 0.000 0.417 261 S N 0.170 115.830 115.700 -0.066 0.000 2.423 261 S HA -0.243 4.222 4.470 -0.008 0.000 0.231 261 S C 1.895 176.456 174.600 -0.066 0.000 1.014 261 S CA 0.974 59.159 58.200 -0.025 0.000 0.965 261 S CB -0.309 62.896 63.200 0.008 0.000 0.785 261 S HN 0.344 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 0.106 4.442 4.340 -0.008 0.000 0.200 262 Q C 1.972 177.905 176.000 -0.112 0.000 0.975 262 Q CA 1.200 56.947 55.803 -0.093 0.000 0.836 262 Q CB -0.817 27.862 28.738 -0.098 0.000 0.896 262 Q HN 0.457 nan 8.270 nan 0.000 0.428 263 L N -0.161 120.935 121.223 -0.212 0.000 2.042 263 L HA -0.129 4.206 4.340 -0.008 0.000 0.210 263 L C 1.987 178.737 176.870 -0.200 0.000 1.076 263 L CA 1.633 56.279 54.840 -0.323 0.000 0.749 263 L CB -0.571 41.044 42.059 -0.740 0.000 0.893 263 L HN 0.311 nan 8.230 nan 0.000 0.432 264 L N -1.081 120.035 121.223 -0.178 0.000 2.554 264 L HA -0.013 4.322 4.340 -0.008 0.000 0.226 264 L C 1.009 177.956 176.870 0.128 0.000 1.137 264 L CA -0.180 54.656 54.840 -0.006 0.000 0.863 264 L CB -0.395 41.628 42.059 -0.061 0.000 0.985 264 L HN 0.258 nan 8.230 nan 0.000 0.451 265 E N 0.551 120.776 120.200 0.042 0.000 2.452 265 E HA 0.117 4.462 4.350 -0.008 0.000 0.261 265 E C 1.117 177.706 176.600 -0.018 0.000 0.987 265 E CA 0.853 57.262 56.400 0.016 0.000 0.926 265 E CB 0.407 30.098 29.700 -0.014 0.000 0.934 265 E HN 0.296 nan 8.360 nan 0.000 0.452 266 G N 4.104 112.873 108.800 -0.052 0.000 2.234 266 G HA2 -0.215 3.740 3.960 -0.008 0.000 0.235 266 G HA3 -0.215 3.740 3.960 -0.008 0.000 0.235 266 G C -0.116 174.642 174.900 -0.237 0.000 0.997 266 G CA 0.023 45.030 45.100 -0.155 0.000 0.623 266 G HN 0.708 nan 8.290 nan 0.000 0.514 267 H N 1.889 120.969 119.070 0.016 0.000 2.594 267 H HA 0.264 4.815 4.556 -0.008 0.000 0.304 267 H C 1.192 176.531 175.328 0.020 0.000 1.068 267 H CA 0.264 56.327 56.048 0.024 0.000 1.308 267 H CB 1.445 31.227 29.762 0.035 0.000 1.409 267 H HN 0.474 nan 8.280 nan 0.000 0.460 268 D N 2.446 122.908 120.400 0.103 0.000 2.144 268 D HA -0.086 4.550 4.640 -0.008 0.000 0.200 268 D C 0.480 176.823 176.300 0.072 0.000 0.978 268 D CA 0.584 54.624 54.000 0.067 0.000 0.833 268 D CB 0.365 41.190 40.800 0.042 0.000 0.961 268 D HN 0.111 nan 8.370 nan 0.000 0.470 269 V N 1.108 121.075 119.914 0.088 0.000 2.525 269 V HA 0.299 4.414 4.120 -0.008 0.000 0.299 269 V C -0.503 175.629 176.094 0.063 0.000 1.034 269 V CA -0.976 61.362 62.300 0.063 0.000 0.863 269 V CB 2.495 34.346 31.823 0.046 0.000 0.999 269 V HN -0.069 nan 8.190 nan 0.000 0.423 270 V N 6.097 126.041 119.914 0.049 0.000 2.357 270 V HA 0.440 4.555 4.120 -0.008 0.000 0.284 270 V C -0.391 175.720 176.094 0.027 0.000 1.018 270 V CA -0.559 61.761 62.300 0.033 0.000 0.841 270 V CB 1.610 33.463 31.823 0.050 0.000 0.991 270 V HN 0.658 nan 8.190 nan 0.000 0.437 271 L N 7.582 128.815 121.223 0.017 0.000 2.257 271 L HA 0.599 4.935 4.340 -0.008 0.000 0.290 271 L C -0.321 176.562 176.870 0.022 0.000 1.044 271 L CA 0.241 55.089 54.840 0.013 0.000 0.810 271 L CB 1.370 43.434 42.059 0.007 0.000 1.193 271 L HN 0.437 nan 8.230 nan 0.000 0.425 272 V N 6.900 126.828 119.914 0.024 0.000 2.394 272 V HA 0.493 4.608 4.120 -0.008 0.000 0.282 272 V C 0.175 176.281 176.094 0.020 0.000 1.031 272 V CA -0.421 61.905 62.300 0.044 0.000 0.881 272 V CB 1.403 33.258 31.823 0.054 0.000 0.982 272 V HN 0.598 nan 8.190 nan 0.000 0.451 273 I N 3.206 123.794 120.570 0.030 0.000 2.465 273 I HA 0.587 4.752 4.170 -0.008 0.000 0.291 273 I C 1.013 177.153 176.117 0.038 0.000 1.014 273 I CA -0.580 60.735 61.300 0.025 0.000 1.093 273 I CB 1.829 39.845 38.000 0.026 0.000 1.267 273 I HN 0.828 nan 8.210 nan 0.000 0.431 274 G N 4.519 113.337 108.800 0.030 0.000 2.323 274 G HA2 -0.020 3.935 3.960 -0.008 0.000 0.292 274 G HA3 -0.020 3.935 3.960 -0.008 0.000 0.292 274 G C -0.061 174.879 174.900 0.067 0.000 1.040 274 G CA 0.435 45.563 45.100 0.046 0.000 0.942 274 G HN 1.091 nan 8.290 nan 0.000 0.506 275 A N -0.916 121.936 122.820 0.054 0.000 2.594 275 A HA 0.924 5.240 4.320 -0.008 0.000 0.295 275 A C -2.942 174.655 177.584 0.023 0.000 1.071 275 A CA -1.313 50.760 52.037 0.060 0.000 0.685 275 A CB 1.738 20.788 19.000 0.084 0.000 1.285 275 A HN 0.101 nan 8.150 nan 0.000 0.405 276 P HA 0.406 nan 4.420 nan 0.000 0.277 276 P C -0.767 176.457 177.300 -0.127 0.000 1.240 276 P CA -0.258 62.815 63.100 -0.045 0.000 0.798 276 P CB 1.016 32.700 31.700 -0.027 0.000 0.979 277 V N 3.686 123.415 119.914 -0.308 0.000 2.257 277 V HA 0.395 4.511 4.120 -0.008 0.000 0.269 277 V C -0.461 175.283 176.094 -0.583 0.000 1.040 277 V CA 0.054 61.883 62.300 -0.784 0.000 0.813 277 V CB -1.186 30.142 31.823 -0.825 0.000 1.065 277 V HN 0.459 nan 8.190 nan 0.000 0.457 278 F N 1.985 121.681 119.950 -0.422 0.000 2.599 278 F HA 0.557 5.079 4.527 -0.009 0.000 0.311 278 F C 0.462 175.894 175.800 -0.613 0.000 1.076 278 F CA -1.296 56.361 58.000 -0.571 0.000 0.937 278 F CB 2.193 40.683 39.000 -0.850 0.000 1.282 278 F HN 0.152 nan 8.300 nan 0.000 0.460 279 R N 2.492 122.916 120.500 -0.127 0.000 3.688 279 R HA 0.185 4.521 4.340 -0.008 0.000 0.194 279 R C -1.258 175.033 176.300 -0.014 0.000 1.677 279 R CA 0.038 56.105 56.100 -0.055 0.000 1.351 279 R CB -1.135 29.170 30.300 0.007 0.000 1.338 279 R HN 0.434 nan 8.270 nan 0.000 0.731 280 Y N 0.584 120.989 120.300 0.175 0.000 2.335 280 Y HA 0.008 4.555 4.550 -0.004 0.000 0.348 280 Y C 1.568 177.604 175.900 0.228 0.000 1.280 280 Y CA 0.207 58.419 58.100 0.187 0.000 1.504 280 Y CB 0.456 39.039 38.460 0.205 0.000 1.366 280 Y HN 0.490 nan 8.280 nan 0.000 0.621 281 H N -0.362 118.914 119.070 0.344 0.000 2.809 281 H HA 0.071 4.623 4.556 -0.008 0.000 0.150 281 H C -0.099 175.440 175.328 0.351 0.000 1.073 281 H CA 0.411 56.642 56.048 0.305 0.000 1.099 281 H CB -0.013 29.926 29.762 0.295 0.000 1.078 281 H HN 0.675 nan 8.280 nan 0.000 0.337 282 Q N 1.147 121.261 119.800 0.524 0.000 2.454 282 Q HA -0.041 4.295 4.340 -0.008 0.000 0.247 282 Q C -0.806 175.406 176.000 0.352 0.000 1.028 282 Q CA -0.243 55.826 55.803 0.443 0.000 0.910 282 Q CB 0.504 29.407 28.738 0.276 0.000 1.276 282 Q HN 0.457 nan 8.270 nan 0.000 0.489 283 Y N 1.642 122.044 120.300 0.171 0.000 2.585 283 Y HA 0.176 4.720 4.550 -0.011 0.000 0.354 283 Y C -0.940 174.970 175.900 0.017 0.000 1.024 283 Y CA -0.771 57.373 58.100 0.075 0.000 1.321 283 Y CB 0.363 38.860 38.460 0.062 0.000 1.151 283 Y HN 0.726 nan 8.280 nan 0.000 0.525 284 D N 9.004 129.197 120.400 -0.346 0.000 2.502 284 D HA 0.267 4.902 4.640 -0.008 0.000 0.301 284 D C -2.889 173.106 176.300 -0.508 0.000 1.202 284 D CA -2.204 51.579 54.000 -0.361 0.000 0.878 284 D CB 0.659 41.359 40.800 -0.168 0.000 1.062 284 D HN 0.248 nan 8.370 nan 0.000 0.499 285 P HA 0.328 nan 4.420 nan 0.000 0.265 285 P C 0.431 177.507 177.300 -0.374 0.000 1.187 285 P CA 0.379 63.111 63.100 -0.614 0.000 0.766 285 P CB 1.501 32.809 31.700 -0.653 0.000 0.820 286 G N 1.796 110.392 108.800 -0.339 0.000 2.399 286 G HA2 0.102 4.057 3.960 -0.008 0.000 0.256 286 G HA3 0.102 4.057 3.960 -0.008 0.000 0.256 286 G C -1.630 173.096 174.900 -0.290 0.000 1.236 286 G CA -0.652 44.294 45.100 -0.257 0.000 0.914 286 G HN 0.472 nan 8.290 nan 0.000 0.482 287 Q N -0.556 119.123 119.800 -0.202 0.000 2.259 287 Q HA 0.458 4.794 4.340 -0.008 0.000 0.249 287 Q C 0.284 176.214 176.000 -0.117 0.000 0.914 287 Q CA -0.540 55.164 55.803 -0.166 0.000 0.904 287 Q CB 1.768 30.466 28.738 -0.068 0.000 1.213 287 Q HN 0.567 nan 8.270 nan 0.000 0.428 288 Y N 1.068 121.373 120.300 0.009 0.000 2.242 288 Y HA -0.063 4.486 4.550 -0.003 0.000 0.291 288 Y C 0.548 176.503 175.900 0.091 0.000 1.137 288 Y CA 0.513 58.657 58.100 0.073 0.000 1.181 288 Y CB 0.553 39.060 38.460 0.079 0.000 0.989 288 Y HN 0.365 nan 8.280 nan 0.000 0.527 289 L N 0.152 121.496 121.223 0.201 0.000 2.482 289 L HA 0.323 4.658 4.340 -0.008 0.000 0.263 289 L C -0.848 176.062 176.870 0.066 0.000 0.957 289 L CA -1.228 53.688 54.840 0.127 0.000 0.836 289 L CB 1.964 44.097 42.059 0.123 0.000 1.324 289 L HN -0.247 nan 8.230 nan 0.000 0.406 290 K N 1.885 122.309 120.400 0.040 0.000 2.202 290 K HA 0.360 4.675 4.320 -0.008 0.000 0.264 290 K C -2.367 174.247 176.600 0.022 0.000 1.010 290 K CA -1.678 54.619 56.287 0.017 0.000 0.940 290 K CB 0.602 33.103 32.500 0.002 0.000 0.983 290 K HN 0.196 nan 8.250 nan 0.000 0.475 291 P HA -0.012 nan 4.420 nan 0.000 0.266 291 P C 0.635 177.942 177.300 0.013 0.000 1.195 291 P CA 0.819 63.927 63.100 0.013 0.000 0.768 291 P CB 0.432 32.135 31.700 0.006 0.000 0.838 292 G N 1.166 109.976 108.800 0.016 0.000 2.234 292 G HA2 -0.185 3.770 3.960 -0.008 0.000 0.235 292 G HA3 -0.185 3.770 3.960 -0.008 0.000 0.235 292 G C 0.208 175.124 174.900 0.027 0.000 0.997 292 G CA -0.035 45.074 45.100 0.015 0.000 0.623 292 G HN 0.618 nan 8.290 nan 0.000 0.514 293 T N 1.497 116.072 114.554 0.036 0.000 2.767 293 T HA 0.612 4.957 4.350 -0.008 0.000 0.284 293 T C 0.045 174.774 174.700 0.047 0.000 0.973 293 T CA -0.326 61.806 62.100 0.053 0.000 0.996 293 T CB 1.834 70.742 68.868 0.067 0.000 0.927 293 T HN 0.528 nan 8.240 nan 0.000 0.456 294 R N 3.666 124.194 120.500 0.045 0.000 2.562 294 R HA 0.683 5.019 4.340 -0.008 0.000 0.298 294 R C -1.475 174.844 176.300 0.031 0.000 0.961 294 R CA -0.761 55.358 56.100 0.032 0.000 0.881 294 R CB 1.085 31.400 30.300 0.025 0.000 1.159 294 R HN 0.588 nan 8.270 nan 0.000 0.450 295 L N 5.613 126.845 121.223 0.014 0.000 2.346 295 L HA 0.596 4.931 4.340 -0.008 0.000 0.276 295 L C -1.300 175.558 176.870 -0.021 0.000 1.006 295 L CA -0.762 54.080 54.840 0.002 0.000 0.817 295 L CB 1.624 43.676 42.059 -0.011 0.000 1.272 295 L HN 0.666 nan 8.230 nan 0.000 0.421 296 I N 3.730 124.290 120.570 -0.018 0.000 2.447 296 I HA 0.313 4.479 4.170 -0.008 0.000 0.287 296 I C -0.545 175.550 176.117 -0.036 0.000 1.023 296 I CA -0.324 60.960 61.300 -0.026 0.000 1.083 296 I CB 2.055 40.048 38.000 -0.011 0.000 1.245 296 I HN 0.517 nan 8.210 nan 0.000 0.434 297 S N 5.748 121.415 115.700 -0.055 0.000 2.454 297 S HA 0.633 5.098 4.470 -0.008 0.000 0.306 297 S C -0.776 173.797 174.600 -0.044 0.000 1.100 297 S CA -0.474 57.689 58.200 -0.062 0.000 1.087 297 S CB 1.314 64.448 63.200 -0.110 0.000 1.019 297 S HN 0.326 nan 8.310 nan 0.000 0.480 298 V N 4.924 124.821 119.914 -0.029 0.000 2.313 298 V HA 0.544 4.660 4.120 -0.008 0.000 0.278 298 V C 0.421 176.501 176.094 -0.022 0.000 1.017 298 V CA -0.450 61.837 62.300 -0.022 0.000 0.823 298 V CB 0.967 32.784 31.823 -0.010 0.000 1.010 298 V HN 0.940 nan 8.190 nan 0.000 0.443 299 T N 3.229 117.764 114.554 -0.032 0.000 2.916 299 T HA 0.287 4.632 4.350 -0.008 0.000 0.292 299 T C 0.854 175.523 174.700 -0.052 0.000 1.055 299 T CA -0.097 61.983 62.100 -0.033 0.000 1.009 299 T CB 1.465 70.313 68.868 -0.034 0.000 1.118 299 T HN 0.819 nan 8.240 nan 0.000 0.497 300 C N 1.354 120.605 119.300 -0.082 0.000 2.791 300 C HA 0.488 4.944 4.460 -0.008 0.000 0.270 300 C C 0.392 175.281 174.990 -0.169 0.000 1.257 300 C CA -0.520 58.420 59.018 -0.131 0.000 1.699 300 C CB -1.155 26.474 27.740 -0.185 0.000 1.904 300 C HN 0.738 nan 8.230 nan 0.000 0.603 301 D N 1.214 121.538 120.400 -0.126 0.000 2.471 301 D HA 0.361 4.996 4.640 -0.008 0.000 0.245 301 D C -1.931 174.347 176.300 -0.037 0.000 1.116 301 D CA -1.776 52.167 54.000 -0.095 0.000 0.853 301 D CB 2.141 42.926 40.800 -0.026 0.000 1.123 301 D HN -0.088 nan 8.370 nan 0.000 0.540 302 P HA -0.084 nan 4.420 nan 0.000 0.216 302 P C 1.759 179.063 177.300 0.007 0.000 1.150 302 P CA 0.816 63.909 63.100 -0.011 0.000 0.843 302 P CB 0.391 32.089 31.700 -0.004 0.000 0.787 303 L N -0.779 120.462 121.223 0.030 0.000 2.131 303 L HA -0.196 4.139 4.340 -0.008 0.000 0.210 303 L C 2.349 179.241 176.870 0.037 0.000 1.092 303 L CA 1.547 56.421 54.840 0.058 0.000 0.759 303 L CB -0.722 41.407 42.059 0.117 0.000 0.903 303 L HN 0.076 nan 8.230 nan 0.000 0.435 304 E N -0.069 120.144 120.200 0.022 0.000 2.046 304 E HA -0.160 4.186 4.350 -0.008 0.000 0.190 304 E C 2.327 178.904 176.600 -0.039 0.000 0.982 304 E CA 1.012 57.410 56.400 -0.004 0.000 0.800 304 E CB -0.099 29.604 29.700 0.005 0.000 0.756 304 E HN 0.461 nan 8.360 nan 0.000 0.449 305 A N 1.269 124.067 122.820 -0.038 0.000 1.933 305 A HA -0.138 4.177 4.320 -0.008 0.000 0.218 305 A C 2.308 179.862 177.584 -0.049 0.000 1.175 305 A CA 1.708 53.713 52.037 -0.052 0.000 0.628 305 A CB -0.547 18.428 19.000 -0.042 0.000 0.814 305 A HN 0.306 nan 8.150 nan 0.000 0.444 306 A N 0.759 123.563 122.820 -0.028 0.000 1.873 306 A HA -0.131 4.185 4.320 -0.008 0.000 0.215 306 A C 2.172 179.738 177.584 -0.030 0.000 1.186 306 A CA 1.521 53.545 52.037 -0.021 0.000 0.616 306 A CB -0.437 18.563 19.000 0.000 0.000 0.823 306 A HN 0.697 nan 8.150 nan 0.000 0.442 307 R N -0.338 120.146 120.500 -0.028 0.000 2.299 307 R HA 0.417 4.752 4.340 -0.008 0.000 0.197 307 R C 0.743 176.993 176.300 -0.083 0.000 0.971 307 R CA 0.563 56.642 56.100 -0.034 0.000 1.030 307 R CB -0.538 29.761 30.300 -0.002 0.000 0.932 307 R HN 0.273 nan 8.270 nan 0.000 0.477 308 A N 3.626 126.374 122.820 -0.120 0.000 2.545 308 A HA 0.132 4.448 4.320 -0.008 0.000 0.253 308 A C -1.413 176.039 177.584 -0.220 0.000 1.074 308 A CA -1.143 50.773 52.037 -0.202 0.000 0.760 308 A CB 0.156 19.027 19.000 -0.215 0.000 1.005 308 A HN 0.298 nan 8.150 nan 0.000 0.506 309 P HA 0.026 nan 4.420 nan 0.000 0.245 309 P C -0.138 176.952 177.300 -0.349 0.000 1.212 309 P CA 0.782 63.635 63.100 -0.411 0.000 0.774 309 P CB -0.115 31.075 31.700 -0.849 0.000 0.999 310 M N -2.966 116.463 119.600 -0.284 0.000 2.833 310 M HA 0.584 5.059 4.480 -0.008 0.000 0.270 310 M C -0.439 175.777 176.300 -0.140 0.000 1.209 310 M CA -0.068 55.134 55.300 -0.163 0.000 0.826 310 M CB 1.081 33.616 32.600 -0.109 0.000 1.657 310 M HN 0.035 nan 8.290 nan 0.000 0.492 311 G N 1.577 110.329 108.800 -0.081 0.000 2.829 311 G HA2 -0.065 3.891 3.960 -0.008 0.000 0.628 311 G HA3 -0.065 3.891 3.960 -0.008 0.000 0.628 311 G C -1.346 173.513 174.900 -0.067 0.000 1.412 311 G CA -0.109 44.949 45.100 -0.069 0.000 0.864 311 G HN 1.019 nan 8.290 nan 0.000 0.544 312 D N 0.049 120.418 120.400 -0.052 0.000 2.388 312 D HA 0.749 5.385 4.640 -0.008 0.000 0.254 312 D C 0.661 176.928 176.300 -0.055 0.000 1.111 312 D CA 0.874 54.847 54.000 -0.045 0.000 0.993 312 D CB 1.656 42.439 40.800 -0.029 0.000 1.118 312 D HN 1.280 nan 8.370 nan 0.000 0.502 313 A N 0.440 123.232 122.820 -0.047 0.000 2.572 313 A HA 0.708 5.024 4.320 -0.008 0.000 0.295 313 A C -1.239 176.323 177.584 -0.036 0.000 1.072 313 A CA -0.620 51.388 52.037 -0.049 0.000 0.691 313 A CB 1.249 20.213 19.000 -0.060 0.000 1.291 313 A HN 0.457 nan 8.150 nan 0.000 0.404 314 I N 1.576 122.125 120.570 -0.034 0.000 2.468 314 I HA 0.339 4.505 4.170 -0.008 0.000 0.285 314 I C -0.939 175.160 176.117 -0.030 0.000 1.039 314 I CA -0.864 60.420 61.300 -0.027 0.000 1.074 314 I CB 2.135 40.122 38.000 -0.021 0.000 1.228 314 I HN 0.312 nan 8.210 nan 0.000 0.436 315 V N 5.891 125.787 119.914 -0.030 0.000 2.348 315 V HA 0.822 4.938 4.120 -0.008 0.000 0.270 315 V C 0.379 176.453 176.094 -0.034 0.000 1.037 315 V CA -0.025 62.254 62.300 -0.035 0.000 0.872 315 V CB 0.560 32.362 31.823 -0.035 0.000 1.002 315 V HN 0.895 nan 8.190 nan 0.000 0.464 316 A N 3.726 126.524 122.820 -0.037 0.000 2.493 316 A HA 0.630 4.945 4.320 -0.008 0.000 0.300 316 A C -1.174 176.387 177.584 -0.037 0.000 1.152 316 A CA -0.754 51.263 52.037 -0.032 0.000 0.643 316 A CB 0.963 19.950 19.000 -0.022 0.000 1.316 316 A HN 0.666 nan 8.150 nan 0.000 0.469 317 D N 0.193 120.575 120.400 -0.029 0.000 2.383 317 D HA 0.305 4.940 4.640 -0.008 0.000 0.252 317 D C 1.126 177.415 176.300 -0.017 0.000 1.166 317 D CA -0.318 53.666 54.000 -0.027 0.000 0.879 317 D CB 0.344 41.134 40.800 -0.016 0.000 1.164 317 D HN 0.280 nan 8.370 nan 0.000 0.462 318 I N 3.745 124.304 120.570 -0.018 0.000 2.286 318 I HA -0.077 4.088 4.170 -0.008 0.000 0.248 318 I C 2.246 178.368 176.117 0.008 0.000 1.115 318 I CA 1.125 62.424 61.300 -0.002 0.000 1.392 318 I CB -1.561 36.442 38.000 0.005 0.000 1.065 318 I HN 0.658 nan 8.210 nan 0.000 0.418 319 G N 0.725 109.530 108.800 0.008 0.000 2.433 319 G HA2 -0.181 3.775 3.960 -0.008 0.000 0.216 319 G HA3 -0.181 3.775 3.960 -0.008 0.000 0.216 319 G C 1.885 176.792 174.900 0.011 0.000 1.186 319 G CA 1.055 46.163 45.100 0.013 0.000 0.779 319 G HN 0.475 nan 8.290 nan 0.000 0.543 320 A N 0.449 123.273 122.820 0.007 0.000 1.883 320 A HA -0.029 4.287 4.320 -0.008 0.000 0.217 320 A C 2.462 180.049 177.584 0.005 0.000 1.186 320 A CA 2.149 54.189 52.037 0.005 0.000 0.624 320 A CB -0.359 18.642 19.000 0.002 0.000 0.822 320 A HN 0.304 nan 8.150 nan 0.000 0.444 321 M N -0.575 119.027 119.600 0.004 0.000 2.099 321 M HA -0.078 4.397 4.480 -0.008 0.000 0.262 321 M C 2.574 178.880 176.300 0.010 0.000 1.067 321 M CA 1.569 56.871 55.300 0.004 0.000 1.124 321 M CB -1.567 31.033 32.600 0.001 0.000 1.353 321 M HN 0.488 nan 8.290 nan 0.000 0.410 322 A N -0.337 122.492 122.820 0.015 0.000 1.883 322 A HA -0.191 4.125 4.320 -0.008 0.000 0.217 322 A C 2.502 180.099 177.584 0.022 0.000 1.186 322 A CA 2.495 54.546 52.037 0.023 0.000 0.624 322 A CB -1.056 17.962 19.000 0.031 0.000 0.822 322 A HN 0.509 nan 8.150 nan 0.000 0.444 323 S N -0.435 115.275 115.700 0.018 0.000 2.348 323 S HA -0.075 4.390 4.470 -0.008 0.000 0.221 323 S C 2.244 176.852 174.600 0.013 0.000 1.033 323 S CA 1.845 60.054 58.200 0.015 0.000 1.010 323 S CB -0.642 62.565 63.200 0.012 0.000 0.891 323 S HN 0.931 nan 8.310 nan 0.000 0.442 324 A N 1.636 124.462 122.820 0.011 0.000 1.873 324 A HA -0.058 4.257 4.320 -0.008 0.000 0.218 324 A C 2.316 179.907 177.584 0.011 0.000 1.193 324 A CA 1.851 53.893 52.037 0.009 0.000 0.629 324 A CB -1.067 17.936 19.000 0.006 0.000 0.826 324 A HN 0.599 nan 8.150 nan 0.000 0.447 325 L N -0.951 120.280 121.223 0.013 0.000 2.017 325 L HA -0.207 4.128 4.340 -0.008 0.000 0.208 325 L C 3.117 179.998 176.870 0.019 0.000 1.073 325 L CA 1.117 55.965 54.840 0.015 0.000 0.745 325 L CB -0.615 41.453 42.059 0.015 0.000 0.894 325 L HN 0.453 nan 8.230 nan 0.000 0.432 326 A N 0.177 123.010 122.820 0.022 0.000 1.978 326 A HA -0.193 4.123 4.320 -0.008 0.000 0.220 326 A C 1.829 179.426 177.584 0.021 0.000 1.170 326 A CA 1.867 53.920 52.037 0.026 0.000 0.636 326 A CB -0.470 18.547 19.000 0.028 0.000 0.810 326 A HN 0.515 nan 8.150 nan 0.000 0.448 327 N N -0.907 117.803 118.700 0.017 0.000 2.280 327 N HA 0.192 4.927 4.740 -0.008 0.000 0.192 327 N C 1.077 176.595 175.510 0.013 0.000 1.109 327 N CA 0.408 53.467 53.050 0.014 0.000 0.855 327 N CB 0.407 38.901 38.487 0.011 0.000 0.974 327 N HN 0.488 nan 8.380 nan 0.000 0.482 328 L N 0.189 121.420 121.223 0.013 0.000 2.577 328 L HA 0.188 4.523 4.340 -0.008 0.000 0.225 328 L C 0.637 177.515 176.870 0.013 0.000 1.053 328 L CA 0.027 54.874 54.840 0.012 0.000 0.866 328 L CB 0.154 42.219 42.059 0.010 0.000 1.132 328 L HN -0.108 nan 8.230 nan 0.000 0.486 329 V N -0.758 119.166 119.914 0.016 0.000 2.872 329 V HA 0.081 4.197 4.120 -0.008 0.000 0.307 329 V C 0.183 176.288 176.094 0.018 0.000 1.072 329 V CA -0.729 61.582 62.300 0.018 0.000 1.148 329 V CB 0.267 32.102 31.823 0.021 0.000 0.954 329 V HN 0.192 nan 8.190 nan 0.000 0.490 330 E N 1.645 121.856 120.200 0.018 0.000 2.349 330 E HA 0.293 4.638 4.350 -0.008 0.000 0.262 330 E C -0.349 176.264 176.600 0.021 0.000 1.088 330 E CA -0.521 55.890 56.400 0.018 0.000 0.899 330 E CB 0.865 30.574 29.700 0.016 0.000 1.044 330 E HN 0.910 nan 8.360 nan 0.000 0.420 331 E N 1.472 121.684 120.200 0.021 0.000 2.166 331 E HA 0.032 4.378 4.350 -0.008 0.000 0.279 331 E C -0.681 175.933 176.600 0.024 0.000 1.095 331 E CA -0.092 56.323 56.400 0.024 0.000 0.888 331 E CB 0.616 30.329 29.700 0.022 0.000 1.041 331 E HN 0.321 nan 8.360 nan 0.000 0.414 332 S N 3.062 118.778 115.700 0.027 0.000 2.572 332 S HA 0.034 4.499 4.470 -0.008 0.000 0.279 332 S C 1.038 175.652 174.600 0.024 0.000 1.341 332 S CA 0.127 58.343 58.200 0.026 0.000 1.043 332 S CB 0.553 63.771 63.200 0.030 0.000 0.887 332 S HN 0.659 nan 8.310 nan 0.000 0.516 333 S N 4.033 119.745 115.700 0.020 0.000 2.562 333 S HA 0.167 4.632 4.470 -0.008 0.000 0.221 333 S C 0.740 175.351 174.600 0.019 0.000 0.975 333 S CA -0.274 57.936 58.200 0.018 0.000 0.918 333 S CB -0.153 63.056 63.200 0.014 0.000 0.772 333 S HN 0.712 nan 8.310 nan 0.000 0.531 334 R N 1.546 122.059 120.500 0.022 0.000 2.861 334 R HA 0.156 4.492 4.340 -0.008 0.000 0.268 334 R C 0.079 176.393 176.300 0.024 0.000 1.027 334 R CA -0.040 56.074 56.100 0.023 0.000 1.163 334 R CB 0.181 30.498 30.300 0.029 0.000 1.060 334 R HN 0.354 nan 8.270 nan 0.000 0.483 335 Q N 1.612 121.425 119.800 0.022 0.000 2.314 335 Q HA 0.060 4.396 4.340 -0.008 0.000 0.258 335 Q C -0.242 175.774 176.000 0.028 0.000 0.954 335 Q CA -0.347 55.468 55.803 0.021 0.000 0.890 335 Q CB 0.843 29.590 28.738 0.015 0.000 1.210 335 Q HN 0.285 nan 8.270 nan 0.000 0.410 336 L N 5.171 126.412 121.223 0.030 0.000 2.490 336 L HA 0.147 4.482 4.340 -0.008 0.000 0.274 336 L C -2.105 174.786 176.870 0.035 0.000 1.201 336 L CA -0.783 54.082 54.840 0.043 0.000 0.869 336 L CB 0.032 42.115 42.059 0.041 0.000 1.123 336 L HN 0.426 nan 8.230 nan 0.000 0.484 337 P HA 0.048 nan 4.420 nan 0.000 0.266 337 P C -0.965 176.346 177.300 0.017 0.000 1.193 337 P CA 0.044 63.160 63.100 0.027 0.000 0.770 337 P CB 0.260 31.974 31.700 0.023 0.000 0.836 338 T N 1.804 116.359 114.554 0.002 0.000 2.869 338 T HA 0.431 4.776 4.350 -0.008 0.000 0.295 338 T C 0.346 175.042 174.700 -0.007 0.000 0.987 338 T CA -0.327 61.770 62.100 -0.005 0.000 1.109 338 T CB 0.548 69.412 68.868 -0.007 0.000 0.932 338 T HN 0.465 nan 8.240 nan 0.000 0.518 339 A N 2.701 125.517 122.820 -0.006 0.000 2.531 339 A HA 0.529 4.845 4.320 -0.008 0.000 0.236 339 A C 0.871 178.452 177.584 -0.004 0.000 1.062 339 A CA -0.432 51.608 52.037 0.005 0.000 0.760 339 A CB -0.247 18.753 19.000 -0.000 0.000 0.995 339 A HN 1.083 nan 8.150 nan 0.000 0.501 340 A N 3.895 126.712 122.820 -0.004 0.000 2.445 340 A HA 0.541 4.857 4.320 -0.008 0.000 0.242 340 A C -1.379 176.204 177.584 -0.003 0.000 1.075 340 A CA -0.879 51.146 52.037 -0.021 0.000 0.777 340 A CB -0.530 18.444 19.000 -0.042 0.000 1.013 340 A HN 0.805 nan 8.150 nan 0.000 0.493 341 P HA 0.155 nan 4.420 nan 0.000 0.272 341 P C -0.467 176.836 177.300 0.005 0.000 1.223 341 P CA -0.344 62.755 63.100 -0.001 0.000 0.784 341 P CB 0.547 32.244 31.700 -0.004 0.000 0.923 342 E N 2.297 122.501 120.200 0.007 0.000 2.413 342 E HA 0.101 4.446 4.350 -0.008 0.000 0.263 342 E C -1.537 175.069 176.600 0.010 0.000 1.015 342 E CA -0.949 55.458 56.400 0.011 0.000 0.916 342 E CB -0.292 29.414 29.700 0.010 0.000 0.947 342 E HN 0.445 nan 8.360 nan 0.000 0.440 343 P HA 0.079 nan 4.420 nan 0.000 0.269 343 P C -0.690 176.616 177.300 0.011 0.000 1.215 343 P CA -0.273 62.834 63.100 0.011 0.000 0.780 343 P CB 0.591 32.301 31.700 0.016 0.000 0.898 344 A N 2.737 125.561 122.820 0.007 0.000 2.466 344 A HA 0.127 4.443 4.320 -0.008 0.000 0.238 344 A C 0.591 178.178 177.584 0.006 0.000 1.074 344 A CA -0.145 51.894 52.037 0.004 0.000 0.774 344 A CB -0.079 18.920 19.000 -0.002 0.000 1.015 344 A HN 0.525 nan 8.150 nan 0.000 0.498 345 K N 2.760 123.162 120.400 0.004 0.000 2.267 345 K HA 0.358 4.673 4.320 -0.008 0.000 0.282 345 K C -0.640 175.954 176.600 -0.010 0.000 1.078 345 K CA -0.132 56.159 56.287 0.006 0.000 0.903 345 K CB 0.423 32.929 32.500 0.010 0.000 1.111 345 K HN 0.440 nan 8.250 nan 0.000 0.475 346 V N 3.761 123.661 119.914 -0.024 0.000 2.811 346 V HA -0.027 4.088 4.120 -0.008 0.000 0.302 346 V C 0.490 176.541 176.094 -0.071 0.000 1.063 346 V CA -0.311 61.943 62.300 -0.076 0.000 1.088 346 V CB 0.763 32.502 31.823 -0.141 0.000 0.982 346 V HN 0.713 nan 8.190 nan 0.000 0.485 347 D N 2.912 123.256 120.400 -0.094 0.000 2.455 347 D HA 0.252 4.887 4.640 -0.008 0.000 0.241 347 D C -0.047 176.259 176.300 0.010 0.000 1.138 347 D CA 0.378 54.356 54.000 -0.036 0.000 0.877 347 D CB 0.954 41.739 40.800 -0.025 0.000 1.187 347 D HN 0.535 nan 8.370 nan 0.000 0.451 348 Q N 2.190 122.037 119.800 0.079 0.000 2.350 348 Q HA 0.208 4.543 4.340 -0.008 0.000 0.255 348 Q C -1.348 174.712 176.000 0.099 0.000 0.951 348 Q CA -0.758 55.139 55.803 0.157 0.000 0.751 348 Q CB 0.985 29.804 28.738 0.136 0.000 1.296 348 Q HN 0.379 nan 8.270 nan 0.000 0.453 349 D N 1.868 122.327 120.400 0.098 0.000 2.425 349 D HA 0.347 4.983 4.640 -0.008 0.000 0.274 349 D C 0.305 176.627 176.300 0.038 0.000 1.242 349 D CA -0.014 54.020 54.000 0.056 0.000 1.060 349 D CB 0.402 41.232 40.800 0.050 0.000 1.112 349 D HN 0.434 nan 8.370 nan 0.000 0.561 350 A N -1.121 121.714 122.820 0.025 0.000 2.302 350 A HA 0.469 4.785 4.320 -0.008 0.000 0.219 350 A C 0.980 178.568 177.584 0.007 0.000 1.243 350 A CA 0.381 52.428 52.037 0.016 0.000 0.856 350 A CB -1.119 17.890 19.000 0.015 0.000 0.893 350 A HN 0.535 nan 8.150 nan 0.000 0.491 351 G N -0.649 108.152 108.800 0.001 0.000 2.849 351 G HA2 0.435 4.390 3.960 -0.008 0.000 0.174 351 G HA3 0.435 4.390 3.960 -0.008 0.000 0.174 351 G C -0.048 174.831 174.900 -0.035 0.000 1.370 351 G CA -1.050 44.041 45.100 -0.014 0.000 1.040 351 G HN 0.428 nan 8.290 nan 0.000 0.582 352 R N -0.741 119.725 120.500 -0.055 0.000 2.697 352 R HA 0.128 4.464 4.340 -0.008 0.000 0.265 352 R C -0.613 175.606 176.300 -0.135 0.000 1.009 352 R CA -0.056 55.996 56.100 -0.080 0.000 1.099 352 R CB 0.056 30.305 30.300 -0.085 0.000 0.965 352 R HN 0.139 nan 8.270 nan 0.000 0.428 353 L N 2.669 123.824 121.223 -0.114 0.000 2.375 353 L HA 0.205 4.541 4.340 -0.008 0.000 0.271 353 L C 0.684 177.455 176.870 -0.164 0.000 1.107 353 L CA -0.093 54.680 54.840 -0.112 0.000 0.806 353 L CB 0.521 42.545 42.059 -0.058 0.000 1.146 353 L HN 0.371 nan 8.230 nan 0.000 0.447 354 H N 2.043 121.104 119.070 -0.016 0.000 2.525 354 H HA 0.160 4.711 4.556 -0.008 0.000 0.339 354 H C -1.645 173.659 175.328 -0.041 0.000 1.109 354 H CA -1.609 54.435 56.048 -0.006 0.000 1.352 354 H CB 1.423 31.194 29.762 0.014 0.000 1.461 354 H HN 0.374 nan 8.280 nan 0.000 0.533 355 P HA -0.178 nan 4.420 nan 0.000 0.216 355 P C 1.054 178.332 177.300 -0.036 0.000 1.153 355 P CA 1.404 64.470 63.100 -0.055 0.000 0.858 355 P CB 0.463 32.233 31.700 0.116 0.000 0.789 356 E N -1.066 119.231 120.200 0.162 0.000 2.070 356 E HA -0.173 4.172 4.350 -0.008 0.000 0.197 356 E C 2.016 178.686 176.600 0.117 0.000 1.004 356 E CA 1.911 58.429 56.400 0.197 0.000 0.805 356 E CB -1.576 28.195 29.700 0.118 0.000 0.744 356 E HN 0.237 nan 8.360 nan 0.000 0.451 357 T N 0.332 114.932 114.554 0.077 0.000 2.684 357 T HA -0.153 4.193 4.350 -0.008 0.000 0.267 357 T C 2.010 176.703 174.700 -0.011 0.000 1.036 357 T CA 1.420 63.548 62.100 0.047 0.000 1.148 357 T CB -0.405 68.503 68.868 0.067 0.000 0.863 357 T HN -0.025 nan 8.240 nan 0.000 0.436 358 V N 0.791 120.634 119.914 -0.119 0.000 2.287 358 V HA -0.164 3.951 4.120 -0.008 0.000 0.248 358 V C 2.099 178.084 176.094 -0.182 0.000 1.053 358 V CA 1.775 63.943 62.300 -0.220 0.000 1.027 358 V CB -0.877 30.691 31.823 -0.424 0.000 0.646 358 V HN 0.485 nan 8.190 nan 0.000 0.447 359 F N 0.238 120.199 119.950 0.019 0.000 2.146 359 F HA -0.162 4.360 4.527 -0.008 0.000 0.298 359 F C 2.407 178.199 175.800 -0.013 0.000 1.096 359 F CA 1.412 59.401 58.000 -0.017 0.000 1.275 359 F CB -0.430 38.546 39.000 -0.041 0.000 1.008 359 F HN 0.181 nan 8.300 nan 0.000 0.480 360 D N -0.189 120.312 120.400 0.168 0.000 2.117 360 D HA -0.137 4.499 4.640 -0.008 0.000 0.197 360 D C 2.255 178.602 176.300 0.077 0.000 0.987 360 D CA 1.787 55.848 54.000 0.101 0.000 0.829 360 D CB -0.784 40.061 40.800 0.075 0.000 0.961 360 D HN 0.163 nan 8.370 nan 0.000 0.460 361 T N 1.022 115.613 114.554 0.061 0.000 2.708 361 T HA -0.065 4.280 4.350 -0.008 0.000 0.266 361 T C 2.234 176.977 174.700 0.071 0.000 1.037 361 T CA 0.479 62.609 62.100 0.050 0.000 1.146 361 T CB -0.323 68.561 68.868 0.028 0.000 0.865 361 T HN 0.106 nan 8.240 nan 0.000 0.435 362 L N 1.264 122.546 121.223 0.098 0.000 2.042 362 L HA -0.155 4.181 4.340 -0.008 0.000 0.210 362 L C 2.721 179.693 176.870 0.169 0.000 1.076 362 L CA 1.306 56.240 54.840 0.156 0.000 0.749 362 L CB -0.592 41.611 42.059 0.240 0.000 0.893 362 L HN 0.401 nan 8.230 nan 0.000 0.432 363 N N -0.290 118.490 118.700 0.133 0.000 2.149 363 N HA -0.214 4.521 4.740 -0.008 0.000 0.188 363 N C 1.258 176.818 175.510 0.083 0.000 1.019 363 N CA 1.507 54.619 53.050 0.103 0.000 0.857 363 N CB 0.109 38.629 38.487 0.056 0.000 0.997 363 N HN 0.337 nan 8.380 nan 0.000 0.426 364 D N 0.266 120.707 120.400 0.068 0.000 2.149 364 D HA -0.072 4.563 4.640 -0.008 0.000 0.201 364 D C 1.819 178.147 176.300 0.048 0.000 0.972 364 D CA 1.013 55.043 54.000 0.050 0.000 0.835 364 D CB -0.019 40.806 40.800 0.040 0.000 0.966 364 D HN 0.439 nan 8.370 nan 0.000 0.476 365 M N 0.261 119.895 119.600 0.056 0.000 2.486 365 M HA 0.177 4.652 4.480 -0.008 0.000 0.264 365 M C 0.936 177.262 176.300 0.043 0.000 1.125 365 M CA -0.012 55.315 55.300 0.044 0.000 1.144 365 M CB 0.453 33.077 32.600 0.040 0.000 1.353 365 M HN -0.194 nan 8.290 nan 0.000 0.466 366 A N 2.625 125.487 122.820 0.070 0.000 2.425 366 A HA 0.391 4.707 4.320 -0.008 0.000 0.249 366 A C -2.061 175.537 177.584 0.024 0.000 1.084 366 A CA -1.211 50.853 52.037 0.045 0.000 0.781 366 A CB -0.650 18.406 19.000 0.094 0.000 1.019 366 A HN 0.125 nan 8.150 nan 0.000 0.490 367 P HA 0.048 nan 4.420 nan 0.000 0.268 367 P C 0.174 177.468 177.300 -0.010 0.000 1.208 367 P CA -0.025 63.065 63.100 -0.017 0.000 0.777 367 P CB 0.523 32.201 31.700 -0.036 0.000 0.875 368 E N 1.240 121.438 120.200 -0.004 0.000 2.265 368 E HA -0.150 4.196 4.350 -0.008 0.000 0.196 368 E C 0.817 177.412 176.600 -0.008 0.000 0.996 368 E CA 0.911 57.312 56.400 0.002 0.000 0.832 368 E CB -0.273 29.424 29.700 -0.005 0.000 0.756 368 E HN 0.533 nan 8.360 nan 0.000 0.491 369 N N 0.616 119.300 118.700 -0.027 0.000 2.321 369 N HA 0.145 4.880 4.740 -0.008 0.000 0.242 369 N C -0.217 175.253 175.510 -0.067 0.000 1.141 369 N CA -0.136 52.893 53.050 -0.036 0.000 0.864 369 N CB 0.244 38.712 38.487 -0.032 0.000 1.100 369 N HN -0.061 nan 8.380 nan 0.000 0.510 370 A N 0.763 123.519 122.820 -0.106 0.000 2.406 370 A HA 0.496 4.811 4.320 -0.008 0.000 0.243 370 A C 0.082 177.504 177.584 -0.270 0.000 1.082 370 A CA -0.190 51.704 52.037 -0.238 0.000 0.786 370 A CB 0.188 18.954 19.000 -0.390 0.000 1.029 370 A HN 0.399 nan 8.150 nan 0.000 0.495 371 I N 1.051 121.434 120.570 -0.313 0.000 2.418 371 I HA 0.317 4.482 4.170 -0.008 0.000 0.287 371 I C -1.243 174.729 176.117 -0.242 0.000 1.008 371 I CA -0.234 60.971 61.300 -0.158 0.000 1.104 371 I CB 1.233 39.228 38.000 -0.008 0.000 1.264 371 I HN 0.613 nan 8.210 nan 0.000 0.438 372 Y N 6.087 126.408 120.300 0.035 0.000 2.387 372 Y HA 0.649 5.195 4.550 -0.007 0.000 0.330 372 Y C -0.358 175.550 175.900 0.014 0.000 1.133 372 Y CA -0.809 57.311 58.100 0.034 0.000 1.152 372 Y CB 1.459 39.951 38.460 0.053 0.000 1.215 372 Y HN 0.331 nan 8.280 nan 0.000 0.466 373 L N 2.532 123.860 121.223 0.175 0.000 2.386 373 L HA 0.399 4.734 4.340 -0.008 0.000 0.271 373 L C -0.628 176.309 176.870 0.112 0.000 0.993 373 L CA -0.504 54.387 54.840 0.084 0.000 0.819 373 L CB 1.962 44.059 42.059 0.062 0.000 1.294 373 L HN 0.669 nan 8.230 nan 0.000 0.414 374 N N 1.958 120.708 118.700 0.083 0.000 2.399 374 N HA 0.331 5.066 4.740 -0.008 0.000 0.280 374 N C -0.811 174.914 175.510 0.359 0.000 1.008 374 N CA -0.221 52.983 53.050 0.257 0.000 0.894 374 N CB 1.251 39.936 38.487 0.330 0.000 1.273 374 N HN 0.761 nan 8.380 nan 0.000 0.486 375 E N 2.442 122.819 120.200 0.296 0.000 3.918 375 E HA 0.047 4.392 4.350 -0.008 0.000 0.183 375 E C -1.329 175.422 176.600 0.253 0.000 1.021 375 E CA -0.094 56.458 56.400 0.253 0.000 1.431 375 E CB 0.475 30.275 29.700 0.166 0.000 1.140 375 E HN 0.354 nan 8.360 nan 0.000 0.435 376 S N 0.452 116.333 115.700 0.300 0.000 2.497 376 S HA 0.053 4.519 4.470 -0.008 0.000 0.176 376 S C 1.429 176.203 174.600 0.290 0.000 1.445 376 S CA 0.115 58.476 58.200 0.269 0.000 1.092 376 S CB 0.054 63.426 63.200 0.286 0.000 1.216 376 S HN 0.467 nan 8.310 nan 0.000 0.486 377 T N 0.291 115.021 114.554 0.293 0.000 2.792 377 T HA -0.205 4.140 4.350 -0.008 0.000 0.268 377 T C 1.641 176.471 174.700 0.217 0.000 1.059 377 T CA 2.018 64.300 62.100 0.304 0.000 1.136 377 T CB -0.678 68.360 68.868 0.283 0.000 0.846 377 T HN 0.685 nan 8.240 nan 0.000 0.489 378 S N 0.604 116.412 115.700 0.180 0.000 2.556 378 S HA 0.157 4.623 4.470 -0.008 0.000 0.216 378 S C 1.563 176.202 174.600 0.066 0.000 0.970 378 S CA 0.254 58.507 58.200 0.089 0.000 0.912 378 S CB -0.181 63.093 63.200 0.123 0.000 0.790 378 S HN 0.778 nan 8.310 nan 0.000 0.504 379 T N -3.015 111.627 114.554 0.146 0.000 3.145 379 T HA 0.211 4.556 4.350 -0.008 0.000 0.281 379 T C 1.225 176.001 174.700 0.126 0.000 1.003 379 T CA 0.255 62.472 62.100 0.196 0.000 0.901 379 T CB -0.242 68.862 68.868 0.393 0.000 1.112 379 T HN 0.148 nan 8.240 nan 0.000 0.535 380 T N 2.345 116.947 114.554 0.081 0.000 2.699 380 T HA -0.088 4.258 4.350 -0.008 0.000 0.268 380 T C 2.372 177.088 174.700 0.028 0.000 1.036 380 T CA 1.742 63.876 62.100 0.056 0.000 1.147 380 T CB -0.713 68.163 68.868 0.015 0.000 0.862 380 T HN 0.647 nan 8.240 nan 0.000 0.446 381 A N 1.430 124.231 122.820 -0.032 0.000 1.858 381 A HA -0.190 4.125 4.320 -0.008 0.000 0.216 381 A C 2.327 179.887 177.584 -0.039 0.000 1.190 381 A CA 1.779 53.789 52.037 -0.044 0.000 0.617 381 A CB -0.747 18.195 19.000 -0.096 0.000 0.827 381 A HN 0.474 nan 8.150 nan 0.000 0.443 382 Q N -0.929 118.842 119.800 -0.048 0.000 2.124 382 Q HA -0.105 4.231 4.340 -0.008 0.000 0.202 382 Q C 2.109 177.941 176.000 -0.281 0.000 0.977 382 Q CA 1.682 57.456 55.803 -0.048 0.000 0.850 382 Q CB -0.485 28.321 28.738 0.113 0.000 0.901 382 Q HN 0.781 nan 8.270 nan 0.000 0.429 383 M N -1.138 118.072 119.600 -0.649 0.000 2.080 383 M HA -0.200 4.275 4.480 -0.008 0.000 0.260 383 M C 1.173 177.099 176.300 -0.623 0.000 1.068 383 M CA 1.687 56.238 55.300 -1.249 0.000 1.109 383 M CB -0.168 31.695 32.600 -1.228 0.000 1.342 383 M HN 0.307 nan 8.290 nan 0.000 0.405 384 W N 0.717 121.756 121.300 -0.434 0.000 2.421 384 W HA -0.167 4.489 4.660 -0.006 0.000 0.270 384 W C 2.301 178.705 176.519 -0.192 0.000 1.233 384 W CA 1.260 58.412 57.345 -0.322 0.000 1.226 384 W CB -0.032 29.268 29.460 -0.268 0.000 1.121 384 W HN 0.404 nan 8.180 nan 0.000 0.579 385 Q N -0.930 118.886 119.800 0.026 0.000 2.250 385 Q HA 0.018 4.354 4.340 -0.008 0.000 0.200 385 Q C 1.820 177.810 176.000 -0.017 0.000 0.941 385 Q CA 0.747 56.569 55.803 0.031 0.000 0.872 385 Q CB -0.017 28.728 28.738 0.012 0.000 0.965 385 Q HN 0.261 nan 8.270 nan 0.000 0.480 386 R N -0.260 120.185 120.500 -0.092 0.000 2.334 386 R HA 0.238 4.574 4.340 -0.008 0.000 0.216 386 R C -0.107 176.134 176.300 -0.099 0.000 0.905 386 R CA 0.035 56.101 56.100 -0.055 0.000 1.064 386 R CB 0.566 30.883 30.300 0.028 0.000 1.046 386 R HN 0.056 nan 8.270 nan 0.000 0.508 387 L N 1.462 122.556 121.223 -0.215 0.000 2.305 387 L HA 0.281 4.616 4.340 -0.008 0.000 0.284 387 L C -0.392 176.362 176.870 -0.193 0.000 1.013 387 L CA -0.542 54.133 54.840 -0.275 0.000 0.819 387 L CB 1.658 43.360 42.059 -0.595 0.000 1.227 387 L HN 0.123 nan 8.230 nan 0.000 0.417 388 N N 5.147 123.789 118.700 -0.096 0.000 2.439 388 N HA 0.310 5.045 4.740 -0.008 0.000 0.243 388 N C -0.828 174.647 175.510 -0.058 0.000 1.088 388 N CA -0.499 52.510 53.050 -0.068 0.000 0.940 388 N CB 0.539 39.010 38.487 -0.027 0.000 1.180 388 N HN 0.568 nan 8.380 nan 0.000 0.505 389 M N 3.660 123.190 119.600 -0.117 0.000 2.055 389 M HA 0.244 4.720 4.480 -0.008 0.000 0.346 389 M C 0.935 177.164 176.300 -0.118 0.000 1.074 389 M CA -0.430 54.817 55.300 -0.088 0.000 1.009 389 M CB 1.500 34.015 32.600 -0.143 0.000 1.423 389 M HN 0.443 nan 8.290 nan 0.000 0.410 390 R N 0.532 120.984 120.500 -0.080 0.000 2.140 390 R HA 0.127 4.463 4.340 -0.008 0.000 0.213 390 R C 0.390 176.628 176.300 -0.104 0.000 1.059 390 R CA 0.657 56.698 56.100 -0.098 0.000 1.000 390 R CB 0.130 30.389 30.300 -0.068 0.000 0.910 390 R HN 0.627 nan 8.270 nan 0.000 0.455 391 N N 1.155 119.811 118.700 -0.073 0.000 2.485 391 N HA 0.304 5.040 4.740 -0.008 0.000 0.280 391 N C -2.595 172.881 175.510 -0.056 0.000 1.205 391 N CA -1.635 51.377 53.050 -0.062 0.000 0.959 391 N CB 0.670 39.133 38.487 -0.039 0.000 1.206 391 N HN -0.224 nan 8.380 nan 0.000 0.545 392 P HA 0.141 nan 4.420 nan 0.000 0.274 392 P C 0.276 177.571 177.300 -0.008 0.000 1.256 392 P CA 0.143 63.229 63.100 -0.022 0.000 0.795 392 P CB 0.264 31.959 31.700 -0.009 0.000 1.038 393 G N 0.453 109.248 108.800 -0.008 0.000 2.395 393 G HA2 -0.253 3.702 3.960 -0.008 0.000 0.300 393 G HA3 -0.253 3.702 3.960 -0.008 0.000 0.300 393 G C 0.526 175.423 174.900 -0.005 0.000 0.998 393 G CA 0.553 45.660 45.100 0.013 0.000 1.046 393 G HN 0.421 nan 8.290 nan 0.000 0.513 394 S N -1.465 114.189 115.700 -0.076 0.000 2.559 394 S HA 0.376 4.841 4.470 -0.008 0.000 0.226 394 S C -0.131 174.498 174.600 0.048 0.000 1.000 394 S CA 0.095 58.297 58.200 0.002 0.000 0.948 394 S CB 0.607 63.817 63.200 0.017 0.000 0.870 394 S HN 0.769 nan 8.310 nan 0.000 0.497 395 Y N 0.680 120.772 120.300 -0.346 0.000 2.482 395 Y HA 0.563 5.108 4.550 -0.008 0.000 0.334 395 Y C -2.214 173.372 175.900 -0.522 0.000 1.091 395 Y CA -1.300 56.623 58.100 -0.296 0.000 1.027 395 Y CB 1.032 39.279 38.460 -0.355 0.000 1.306 395 Y HN 0.068 nan 8.280 nan 0.000 0.446 396 Y N 6.420 126.439 120.300 -0.468 0.000 2.433 396 Y HA 0.569 5.115 4.550 -0.008 0.000 0.337 396 Y C -1.515 174.263 175.900 -0.203 0.000 1.026 396 Y CA -1.075 56.934 58.100 -0.152 0.000 1.037 396 Y CB 2.163 40.700 38.460 0.129 0.000 1.245 396 Y HN 0.588 nan 8.280 nan 0.000 0.443 397 F N 3.061 123.003 119.950 -0.013 0.000 2.574 397 F HA 0.518 5.041 4.527 -0.008 0.000 0.313 397 F C -0.284 175.478 175.800 -0.064 0.000 1.130 397 F CA -1.782 56.240 58.000 0.037 0.000 0.936 397 F CB 0.892 39.970 39.000 0.130 0.000 1.219 397 F HN 0.724 nan 8.300 nan 0.000 0.445 398 C N 4.660 123.470 119.300 -0.817 0.000 2.250 398 C HA 0.352 4.807 4.460 -0.008 0.000 0.405 398 C C 1.715 176.320 174.990 -0.640 0.000 1.516 398 C CA -0.029 58.414 59.018 -0.958 0.000 1.412 398 C CB -1.554 25.775 27.740 -0.685 0.000 2.534 398 C HN 1.058 nan 8.230 nan 0.000 0.621 399 A N 3.228 125.777 122.820 -0.452 0.000 2.032 399 A HA 0.142 4.458 4.320 -0.008 0.000 0.221 399 A C 2.236 179.757 177.584 -0.106 0.000 1.165 399 A CA 1.998 53.940 52.037 -0.159 0.000 0.645 399 A CB -0.398 18.506 19.000 -0.161 0.000 0.807 399 A HN 1.702 nan 8.150 nan 0.000 0.453 400 A N -2.542 120.173 122.820 -0.175 0.000 2.430 400 A HA 0.471 4.787 4.320 -0.008 0.000 0.243 400 A C 1.616 179.120 177.584 -0.133 0.000 1.254 400 A CA 0.967 52.941 52.037 -0.107 0.000 0.914 400 A CB -0.560 18.390 19.000 -0.083 0.000 0.998 400 A HN 1.844 nan 8.150 nan 0.000 0.515 401 G N -0.974 107.706 108.800 -0.200 0.000 2.148 401 G HA2 -0.096 3.860 3.960 -0.008 0.000 0.254 401 G HA3 -0.096 3.860 3.960 -0.008 0.000 0.254 401 G C 0.685 175.453 174.900 -0.220 0.000 0.981 401 G CA 0.219 45.204 45.100 -0.192 0.000 0.670 401 G HN 1.467 nan 8.290 nan 0.000 0.528 402 G N 0.326 108.986 108.800 -0.234 0.000 2.365 402 G HA2 0.563 4.519 3.960 -0.008 0.000 0.293 402 G HA3 0.563 4.519 3.960 -0.008 0.000 0.293 402 G C 0.550 175.303 174.900 -0.245 0.000 1.128 402 G CA -0.511 44.462 45.100 -0.210 0.000 0.971 402 G HN 0.611 nan 8.290 nan 0.000 0.422 403 L N 1.775 122.773 121.223 -0.375 0.000 2.467 403 L HA 0.426 4.762 4.340 -0.008 0.000 0.270 403 L C 1.492 178.154 176.870 -0.347 0.000 1.205 403 L CA 0.812 55.382 54.840 -0.451 0.000 0.828 403 L CB 0.872 42.426 42.059 -0.842 0.000 1.101 403 L HN 0.814 nan 8.230 nan 0.000 0.479 404 G N 1.388 110.141 108.800 -0.079 0.000 2.154 404 G HA2 -0.298 3.657 3.960 -0.008 0.000 0.186 404 G HA3 -0.298 3.657 3.960 -0.008 0.000 0.186 404 G C 0.109 175.078 174.900 0.115 0.000 1.000 404 G CA 0.236 45.397 45.100 0.103 0.000 0.664 404 G HN 0.643 nan 8.290 nan 0.000 0.513 405 F N 1.429 121.346 119.950 -0.055 0.000 2.222 405 F HA 0.549 5.071 4.527 -0.007 0.000 0.285 405 F C 2.524 178.313 175.800 -0.018 0.000 1.068 405 F CA 1.814 59.781 58.000 -0.055 0.000 1.265 405 F CB -0.556 38.376 39.000 -0.113 0.000 1.087 405 F HN 0.241 nan 8.300 nan 0.000 0.511 406 A N 1.553 124.292 122.820 -0.135 0.000 1.884 406 A HA -0.257 4.059 4.320 -0.008 0.000 0.219 406 A C 2.332 179.832 177.584 -0.140 0.000 1.197 406 A CA 2.301 54.220 52.037 -0.197 0.000 0.637 406 A CB -1.541 17.502 19.000 0.071 0.000 0.827 406 A HN 0.612 nan 8.150 nan 0.000 0.450 407 L N 0.096 121.335 121.223 0.027 0.000 1.970 407 L HA -0.124 4.212 4.340 -0.008 0.000 0.212 407 L C -0.293 176.649 176.870 0.121 0.000 1.071 407 L CA 2.287 57.232 54.840 0.175 0.000 0.751 407 L CB -0.831 41.310 42.059 0.137 0.000 0.889 407 L HN 0.305 nan 8.230 nan 0.000 0.432 408 P HA -0.127 nan 4.420 nan 0.000 0.217 408 P C 1.248 178.458 177.300 -0.151 0.000 1.151 408 P CA 1.874 64.951 63.100 -0.039 0.000 0.828 408 P CB -0.054 31.619 31.700 -0.045 0.000 0.788 409 A N 0.878 123.466 122.820 -0.386 0.000 1.933 409 A HA -0.046 4.270 4.320 -0.008 0.000 0.218 409 A C 2.505 179.871 177.584 -0.363 0.000 1.175 409 A CA 2.031 53.732 52.037 -0.559 0.000 0.628 409 A CB -1.542 16.639 19.000 -1.365 0.000 0.814 409 A HN 0.226 nan 8.150 nan 0.000 0.444 410 A N -0.142 122.521 122.820 -0.262 0.000 1.972 410 A HA -0.064 4.252 4.320 -0.008 0.000 0.219 410 A C 2.059 179.565 177.584 -0.130 0.000 1.169 410 A CA 1.473 53.397 52.037 -0.189 0.000 0.635 410 A CB -0.558 18.330 19.000 -0.186 0.000 0.810 410 A HN 0.529 nan 8.150 nan 0.000 0.446 411 I N -0.693 119.855 120.570 -0.036 0.000 2.286 411 I HA -0.130 4.036 4.170 -0.008 0.000 0.245 411 I C 2.692 178.819 176.117 0.018 0.000 1.104 411 I CA 0.979 62.299 61.300 0.034 0.000 1.397 411 I CB -0.624 37.450 38.000 0.123 0.000 1.072 411 I HN 0.382 nan 8.210 nan 0.000 0.417 412 G N 0.741 109.525 108.800 -0.027 0.000 2.421 412 G HA2 -0.173 3.783 3.960 -0.008 0.000 0.216 412 G HA3 -0.173 3.783 3.960 -0.008 0.000 0.216 412 G C 1.724 176.659 174.900 0.058 0.000 1.171 412 G CA 0.795 45.910 45.100 0.025 0.000 0.775 412 G HN 0.208 nan 8.290 nan 0.000 0.543 413 V N 0.667 120.527 119.914 -0.090 0.000 2.287 413 V HA -0.240 3.875 4.120 -0.008 0.000 0.248 413 V C 2.789 178.862 176.094 -0.034 0.000 1.053 413 V CA 2.320 64.551 62.300 -0.116 0.000 1.027 413 V CB -0.516 31.186 31.823 -0.202 0.000 0.646 413 V HN 0.430 nan 8.190 nan 0.000 0.447 414 Q N -0.229 119.550 119.800 -0.035 0.000 2.170 414 Q HA -0.199 4.136 4.340 -0.008 0.000 0.203 414 Q C 1.905 177.928 176.000 0.037 0.000 0.976 414 Q CA 1.769 57.560 55.803 -0.019 0.000 0.858 414 Q CB -0.513 28.197 28.738 -0.047 0.000 0.907 414 Q HN 0.570 nan 8.270 nan 0.000 0.433 415 L N -0.433 120.848 121.223 0.098 0.000 2.156 415 L HA 0.103 4.438 4.340 -0.008 0.000 0.208 415 L C 1.895 178.910 176.870 0.240 0.000 1.095 415 L CA 1.907 56.847 54.840 0.166 0.000 0.770 415 L CB -0.684 41.495 42.059 0.201 0.000 0.914 415 L HN 0.219 nan 8.230 nan 0.000 0.439 416 A N -1.595 121.346 122.820 0.201 0.000 1.975 416 A HA 0.049 4.364 4.320 -0.008 0.000 0.215 416 A C 1.127 178.699 177.584 -0.020 0.000 1.170 416 A CA 0.677 52.716 52.037 0.003 0.000 0.656 416 A CB -0.130 18.711 19.000 -0.266 0.000 0.821 416 A HN 0.389 nan 8.150 nan 0.000 0.449 417 E N -0.005 120.194 120.200 -0.003 0.000 3.167 417 E HA 0.158 4.504 4.350 -0.008 0.000 0.212 417 E C -2.100 174.498 176.600 -0.003 0.000 1.143 417 E CA -1.697 54.697 56.400 -0.010 0.000 1.002 417 E CB 0.793 30.485 29.700 -0.014 0.000 1.315 417 E HN 0.407 nan 8.360 nan 0.000 0.422 418 P HA -0.135 nan 4.420 nan 0.000 0.221 418 P C 0.635 177.931 177.300 -0.006 0.000 1.145 418 P CA 1.012 64.117 63.100 0.007 0.000 0.795 418 P CB 0.605 32.316 31.700 0.018 0.000 0.775 419 E N -0.391 119.803 120.200 -0.010 0.000 2.479 419 E HA 0.094 4.440 4.350 -0.008 0.000 0.193 419 E C 0.620 177.205 176.600 -0.025 0.000 1.049 419 E CA 0.184 56.574 56.400 -0.015 0.000 0.870 419 E CB 0.155 29.847 29.700 -0.013 0.000 0.944 419 E HN 0.419 nan 8.360 nan 0.000 0.492 420 R N 1.012 121.493 120.500 -0.032 0.000 2.480 420 R HA 0.252 4.587 4.340 -0.008 0.000 0.306 420 R C -0.316 175.943 176.300 -0.069 0.000 0.958 420 R CA -0.849 55.222 56.100 -0.048 0.000 0.861 420 R CB 1.405 31.681 30.300 -0.041 0.000 1.171 420 R HN -0.160 nan 8.270 nan 0.000 0.445 421 Q N 2.378 122.124 119.800 -0.090 0.000 2.262 421 Q HA 0.110 4.446 4.340 -0.008 0.000 0.272 421 Q C -0.902 174.996 176.000 -0.170 0.000 1.076 421 Q CA 0.184 55.917 55.803 -0.117 0.000 0.905 421 Q CB 0.884 29.554 28.738 -0.114 0.000 1.182 421 Q HN 0.390 nan 8.270 nan 0.000 0.390 422 V N 6.843 126.658 119.914 -0.166 0.000 2.465 422 V HA 0.413 4.529 4.120 -0.008 0.000 0.279 422 V C 0.104 176.053 176.094 -0.242 0.000 1.045 422 V CA -0.423 61.759 62.300 -0.196 0.000 0.938 422 V CB 1.071 32.794 31.823 -0.167 0.000 0.986 422 V HN 0.724 nan 8.190 nan 0.000 0.467 423 I N 4.294 124.714 120.570 -0.250 0.000 2.468 423 I HA 0.583 4.749 4.170 -0.008 0.000 0.284 423 I C 0.110 176.198 176.117 -0.049 0.000 1.038 423 I CA -0.510 60.685 61.300 -0.175 0.000 1.083 423 I CB 1.735 39.642 38.000 -0.156 0.000 1.223 423 I HN 0.637 nan 8.210 nan 0.000 0.443 424 A N 6.724 129.492 122.820 -0.087 0.000 2.252 424 A HA 0.661 4.976 4.320 -0.008 0.000 0.309 424 A C -0.343 177.314 177.584 0.121 0.000 1.285 424 A CA -0.432 51.620 52.037 0.024 0.000 0.900 424 A CB 0.682 19.666 19.000 -0.028 0.000 1.157 424 A HN 0.459 nan 8.150 nan 0.000 0.536 425 V N 5.161 125.190 119.914 0.192 0.000 2.334 425 V HA 0.313 4.428 4.120 -0.008 0.000 0.267 425 V C -0.115 176.095 176.094 0.194 0.000 1.040 425 V CA 0.190 62.612 62.300 0.203 0.000 0.866 425 V CB 0.011 32.020 31.823 0.310 0.000 1.019 425 V HN 0.701 nan 8.190 nan 0.000 0.468 426 I N 3.659 124.317 120.570 0.146 0.000 2.509 426 I HA 0.574 4.739 4.170 -0.008 0.000 0.293 426 I C 0.971 177.135 176.117 0.079 0.000 1.020 426 I CA -0.562 60.821 61.300 0.137 0.000 1.088 426 I CB 1.963 40.049 38.000 0.144 0.000 1.267 426 I HN 0.637 nan 8.210 nan 0.000 0.430 427 G N 2.866 111.740 108.800 0.123 0.000 2.544 427 G HA2 0.040 3.995 3.960 -0.008 0.000 0.242 427 G HA3 0.040 3.995 3.960 -0.008 0.000 0.242 427 G C 0.858 175.789 174.900 0.052 0.000 1.247 427 G CA -0.279 44.885 45.100 0.106 0.000 0.840 427 G HN 0.851 nan 8.290 nan 0.000 0.578 428 D N 0.791 121.189 120.400 -0.002 0.000 2.178 428 D HA -0.112 4.524 4.640 -0.008 0.000 0.201 428 D C 2.039 178.517 176.300 0.297 0.000 0.980 428 D CA 1.348 55.326 54.000 -0.036 0.000 0.842 428 D CB -0.615 40.234 40.800 0.082 0.000 0.948 428 D HN 0.459 nan 8.370 nan 0.000 0.472 429 G N 0.382 109.379 108.800 0.327 0.000 2.404 429 G HA2 -0.182 3.774 3.960 -0.008 0.000 0.213 429 G HA3 -0.182 3.774 3.960 -0.008 0.000 0.213 429 G C 1.862 177.091 174.900 0.549 0.000 1.189 429 G CA 0.791 46.188 45.100 0.496 0.000 0.796 429 G HN 0.327 nan 8.290 nan 0.000 0.532 430 S N 1.213 117.199 115.700 0.477 0.000 2.383 430 S HA -0.062 4.404 4.470 -0.008 0.000 0.229 430 S C 2.728 177.598 174.600 0.449 0.000 1.030 430 S CA 1.150 59.635 58.200 0.476 0.000 1.002 430 S CB -0.366 62.986 63.200 0.253 0.000 0.829 430 S HN 0.576 nan 8.310 nan 0.000 0.467 431 A N 2.530 125.538 122.820 0.314 0.000 2.032 431 A HA -0.178 4.137 4.320 -0.008 0.000 0.221 431 A C 1.889 179.652 177.584 0.299 0.000 1.165 431 A CA 1.458 53.657 52.037 0.269 0.000 0.645 431 A CB -0.538 18.581 19.000 0.198 0.000 0.807 431 A HN 0.512 nan 8.150 nan 0.000 0.453 432 N N -1.191 117.687 118.700 0.297 0.000 2.216 432 N HA -0.138 4.597 4.740 -0.008 0.000 0.183 432 N C 1.507 177.062 175.510 0.074 0.000 1.017 432 N CA 1.485 54.621 53.050 0.142 0.000 0.861 432 N CB -0.519 37.984 38.487 0.027 0.000 0.986 432 N HN 0.636 nan 8.380 nan 0.000 0.428 433 Y N 1.562 121.940 120.300 0.130 0.000 2.102 433 Y HA -0.135 4.410 4.550 -0.008 0.000 0.280 433 Y C 1.653 177.596 175.900 0.072 0.000 1.178 433 Y CA 1.188 59.344 58.100 0.094 0.000 1.146 433 Y CB -0.255 38.255 38.460 0.085 0.000 0.968 433 Y HN -0.050 nan 8.280 nan 0.000 0.504 434 S N -0.798 115.038 115.700 0.227 0.000 2.592 434 S HA 0.142 4.607 4.470 -0.008 0.000 0.243 434 S C 1.179 175.823 174.600 0.075 0.000 1.160 434 S CA -0.337 57.938 58.200 0.124 0.000 1.145 434 S CB -0.084 63.179 63.200 0.105 0.000 0.909 434 S HN 0.235 nan 8.310 nan 0.000 0.487 435 I N 2.955 123.581 120.570 0.094 0.000 2.248 435 I HA -0.222 3.944 4.170 -0.008 0.000 0.248 435 I C 2.346 178.462 176.117 -0.001 0.000 1.107 435 I CA 1.860 63.214 61.300 0.090 0.000 1.373 435 I CB -0.320 37.774 38.000 0.155 0.000 1.055 435 I HN 0.472 nan 8.210 nan 0.000 0.418 436 S N 0.564 116.218 115.700 -0.077 0.000 2.500 436 S HA -0.059 4.406 4.470 -0.008 0.000 0.239 436 S C 2.170 176.536 174.600 -0.389 0.000 0.989 436 S CA 0.660 58.592 58.200 -0.447 0.000 0.951 436 S CB -0.958 62.081 63.200 -0.269 0.000 0.759 436 S HN 0.512 nan 8.310 nan 0.000 0.523 437 A N 2.205 124.934 122.820 -0.151 0.000 1.978 437 A HA 0.083 4.399 4.320 -0.008 0.000 0.220 437 A C 2.181 179.732 177.584 -0.054 0.000 1.170 437 A CA 1.295 53.301 52.037 -0.052 0.000 0.636 437 A CB -0.866 18.133 19.000 -0.003 0.000 0.810 437 A HN 0.572 nan 8.150 nan 0.000 0.448 438 L N -2.545 118.583 121.223 -0.158 0.000 2.089 438 L HA -0.276 4.060 4.340 -0.008 0.000 0.213 438 L C 2.458 179.330 176.870 0.003 0.000 1.079 438 L CA 1.934 56.687 54.840 -0.145 0.000 0.758 438 L CB -0.543 41.447 42.059 -0.114 0.000 0.891 438 L HN 0.765 nan 8.230 nan 0.000 0.433 439 W N 0.941 122.076 121.300 -0.274 0.000 2.321 439 W HA -0.257 4.398 4.660 -0.008 0.000 0.306 439 W C 2.583 179.091 176.519 -0.019 0.000 1.217 439 W CA 2.333 59.600 57.345 -0.130 0.000 1.257 439 W CB -0.404 28.893 29.460 -0.271 0.000 1.145 439 W HN -0.001 nan 8.180 nan 0.000 0.509 440 T N 0.362 115.019 114.554 0.172 0.000 2.746 440 T HA -0.206 4.139 4.350 -0.008 0.000 0.267 440 T C 1.935 176.696 174.700 0.103 0.000 1.039 440 T CA 1.944 64.142 62.100 0.163 0.000 1.142 440 T CB -0.911 68.131 68.868 0.290 0.000 0.866 440 T HN 0.264 nan 8.240 nan 0.000 0.444 441 A N 1.422 124.301 122.820 0.099 0.000 1.902 441 A HA 0.144 4.460 4.320 -0.008 0.000 0.217 441 A C 2.634 180.232 177.584 0.023 0.000 1.181 441 A CA 1.855 53.968 52.037 0.127 0.000 0.623 441 A CB -1.095 18.054 19.000 0.248 0.000 0.818 441 A HN 0.510 nan 8.150 nan 0.000 0.443 442 A N -1.241 121.532 122.820 -0.079 0.000 1.855 442 A HA -0.168 4.148 4.320 -0.008 0.000 0.215 442 A C 2.149 179.548 177.584 -0.308 0.000 1.191 442 A CA 1.638 53.582 52.037 -0.156 0.000 0.613 442 A CB -0.550 18.352 19.000 -0.163 0.000 0.829 442 A HN 0.465 nan 8.150 nan 0.000 0.442 443 Q N -1.003 118.433 119.800 -0.607 0.000 2.061 443 Q HA -0.184 4.152 4.340 -0.008 0.000 0.204 443 Q C 1.256 176.849 176.000 -0.679 0.000 0.984 443 Q CA 1.729 57.026 55.803 -0.842 0.000 0.846 443 Q CB -0.436 27.419 28.738 -1.471 0.000 0.902 443 Q HN 0.864 nan 8.270 nan 0.000 0.421 444 Y N 0.028 120.205 120.300 -0.205 0.000 2.493 444 Y HA 0.127 4.672 4.550 -0.008 0.000 0.275 444 Y C 0.340 176.198 175.900 -0.070 0.000 1.183 444 Y CA -0.390 57.643 58.100 -0.110 0.000 1.258 444 Y CB -0.371 38.042 38.460 -0.079 0.000 1.108 444 Y HN 0.167 nan 8.280 nan 0.000 0.521 445 N N 1.437 120.135 118.700 -0.003 0.000 2.686 445 N HA -0.230 4.505 4.740 -0.008 0.000 0.261 445 N C -1.120 174.420 175.510 0.050 0.000 1.001 445 N CA 0.294 53.350 53.050 0.010 0.000 0.764 445 N CB -1.088 37.396 38.487 -0.005 0.000 0.898 445 N HN 0.404 nan 8.380 nan 0.000 0.544 446 I N 1.559 122.173 120.570 0.074 0.000 2.291 446 I HA 0.207 4.372 4.170 -0.008 0.000 0.290 446 I C -1.279 174.871 176.117 0.054 0.000 1.050 446 I CA -2.038 59.304 61.300 0.070 0.000 1.245 446 I CB 1.220 39.276 38.000 0.093 0.000 1.405 446 I HN 0.132 nan 8.210 nan 0.000 0.478 447 P HA -0.064 nan 4.420 nan 0.000 0.311 447 P C 0.146 177.414 177.300 -0.053 0.000 1.543 447 P CA 0.209 63.309 63.100 0.001 0.000 0.766 447 P CB -0.701 30.994 31.700 -0.007 0.000 1.711 448 T N 1.272 115.773 114.554 -0.088 0.000 2.926 448 T HA 0.238 4.583 4.350 -0.008 0.000 0.307 448 T C 0.760 175.213 174.700 -0.411 0.000 1.059 448 T CA 0.267 62.179 62.100 -0.314 0.000 1.122 448 T CB 0.673 69.237 68.868 -0.507 0.000 0.972 448 T HN 0.063 nan 8.240 nan 0.000 0.545 449 I N 3.178 123.474 120.570 -0.457 0.000 2.339 449 I HA 0.349 4.515 4.170 -0.008 0.000 0.290 449 I C -0.866 175.007 176.117 -0.406 0.000 0.994 449 I CA -0.651 60.482 61.300 -0.277 0.000 1.191 449 I CB 0.928 38.853 38.000 -0.125 0.000 1.343 449 I HN 0.510 nan 8.210 nan 0.000 0.458 450 F N 5.988 125.955 119.950 0.028 0.000 2.361 450 F HA 0.375 4.898 4.527 -0.008 0.000 0.364 450 F C 0.087 175.900 175.800 0.021 0.000 1.117 450 F CA -0.873 57.145 58.000 0.030 0.000 1.071 450 F CB 1.248 40.272 39.000 0.039 0.000 1.188 450 F HN 0.014 nan 8.300 nan 0.000 0.464 451 V N 5.652 125.657 119.914 0.152 0.000 2.304 451 V HA 0.257 4.373 4.120 -0.008 0.000 0.269 451 V C 0.115 176.235 176.094 0.043 0.000 1.036 451 V CA -0.561 61.789 62.300 0.083 0.000 0.840 451 V CB 0.521 32.380 31.823 0.061 0.000 1.036 451 V HN 0.422 nan 8.190 nan 0.000 0.466 452 I N 6.038 126.592 120.570 -0.026 0.000 2.337 452 I HA 0.283 4.449 4.170 -0.008 0.000 0.291 452 I C 0.311 176.334 176.117 -0.156 0.000 1.046 452 I CA -0.273 60.927 61.300 -0.167 0.000 1.324 452 I CB 1.164 38.894 38.000 -0.450 0.000 1.409 452 I HN 0.440 nan 8.210 nan 0.000 0.494 453 M N 5.866 125.404 119.600 -0.104 0.000 2.201 453 M HA 0.138 4.613 4.480 -0.008 0.000 0.345 453 M C 0.173 176.431 176.300 -0.071 0.000 1.352 453 M CA -0.026 55.234 55.300 -0.067 0.000 1.218 453 M CB -0.558 32.033 32.600 -0.014 0.000 1.512 453 M HN 0.359 nan 8.290 nan 0.000 0.447 454 N N 3.796 122.457 118.700 -0.066 0.000 2.485 454 N HA 0.162 4.897 4.740 -0.008 0.000 0.243 454 N C -0.084 175.446 175.510 0.033 0.000 0.987 454 N CA -0.080 52.963 53.050 -0.012 0.000 0.940 454 N CB 0.469 38.973 38.487 0.028 0.000 1.122 454 N HN 0.495 nan 8.380 nan 0.000 0.509 455 N N 2.015 120.747 118.700 0.054 0.000 2.200 455 N HA 0.162 4.897 4.740 -0.008 0.000 0.224 455 N C 0.884 176.432 175.510 0.063 0.000 1.179 455 N CA 0.066 53.148 53.050 0.054 0.000 0.877 455 N CB 0.048 38.572 38.487 0.061 0.000 1.072 455 N HN 0.450 nan 8.380 nan 0.000 0.519 456 G N -0.896 107.950 108.800 0.077 0.000 2.233 456 G HA2 -0.260 3.696 3.960 -0.008 0.000 0.270 456 G HA3 -0.260 3.696 3.960 -0.008 0.000 0.270 456 G C -0.017 174.893 174.900 0.018 0.000 1.011 456 G CA 1.039 46.173 45.100 0.058 0.000 0.762 456 G HN 0.807 nan 8.290 nan 0.000 0.511 457 T N -1.980 112.596 114.554 0.037 0.000 2.802 457 T HA 0.502 4.847 4.350 -0.008 0.000 0.311 457 T C -0.557 174.221 174.700 0.129 0.000 1.405 457 T CA -0.626 61.486 62.100 0.020 0.000 1.016 457 T CB 0.897 69.809 68.868 0.073 0.000 1.352 457 T HN 0.249 nan 8.240 nan 0.000 0.498 458 Y N 2.607 122.995 120.300 0.146 0.000 2.623 458 Y HA 0.236 4.781 4.550 -0.008 0.000 0.341 458 Y C 1.898 177.909 175.900 0.185 0.000 1.292 458 Y CA -0.537 57.666 58.100 0.172 0.000 1.840 458 Y CB 0.000 38.563 38.460 0.172 0.000 1.865 458 Y HN 0.964 nan 8.280 nan 0.000 0.440 459 G N 1.500 110.491 108.800 0.318 0.000 2.599 459 G HA2 -0.435 3.521 3.960 -0.008 0.000 0.219 459 G HA3 -0.435 3.521 3.960 -0.008 0.000 0.219 459 G C 1.837 176.923 174.900 0.309 0.000 1.193 459 G CA 1.207 46.466 45.100 0.265 0.000 0.778 459 G HN 0.647 nan 8.290 nan 0.000 0.589 460 A N 0.443 123.453 122.820 0.317 0.000 1.917 460 A HA -0.027 4.288 4.320 -0.008 0.000 0.219 460 A C 2.504 180.412 177.584 0.540 0.000 1.182 460 A CA 1.710 53.980 52.037 0.387 0.000 0.633 460 A CB -0.451 18.766 19.000 0.361 0.000 0.819 460 A HN 0.407 nan 8.150 nan 0.000 0.448 461 L N -1.470 120.006 121.223 0.422 0.000 2.083 461 L HA -0.177 4.158 4.340 -0.008 0.000 0.209 461 L C 2.821 179.910 176.870 0.365 0.000 1.083 461 L CA 1.434 56.507 54.840 0.387 0.000 0.752 461 L CB -0.570 41.647 42.059 0.264 0.000 0.899 461 L HN 0.383 nan 8.230 nan 0.000 0.433 462 R N -0.951 119.743 120.500 0.323 0.000 2.120 462 R HA -0.223 4.112 4.340 -0.008 0.000 0.234 462 R C 2.083 178.531 176.300 0.247 0.000 1.123 462 R CA 1.807 58.054 56.100 0.246 0.000 0.975 462 R CB -0.360 30.070 30.300 0.215 0.000 0.866 462 R HN 0.415 nan 8.270 nan 0.000 0.446 463 W N 0.569 121.950 121.300 0.135 0.000 2.378 463 W HA -0.133 4.523 4.660 -0.007 0.000 0.313 463 W C 1.557 178.084 176.519 0.014 0.000 1.197 463 W CA 1.251 58.621 57.345 0.042 0.000 1.304 463 W CB -0.581 28.867 29.460 -0.021 0.000 1.148 463 W HN -0.099 nan 8.180 nan 0.000 0.494 464 F N 0.886 120.915 119.950 0.133 0.000 2.202 464 F HA -0.203 4.319 4.527 -0.009 0.000 0.301 464 F C 2.570 178.285 175.800 -0.142 0.000 1.082 464 F CA 2.063 60.008 58.000 -0.091 0.000 1.313 464 F CB -1.224 37.849 39.000 0.123 0.000 1.024 464 F HN 0.004 nan 8.300 nan 0.000 0.495 465 A N 0.252 123.155 122.820 0.139 0.000 1.917 465 A HA -0.153 4.163 4.320 -0.008 0.000 0.219 465 A C 2.559 180.119 177.584 -0.041 0.000 1.182 465 A CA 1.955 54.031 52.037 0.066 0.000 0.633 465 A CB -1.602 17.452 19.000 0.090 0.000 0.819 465 A HN 0.417 nan 8.150 nan 0.000 0.448 466 G N -0.254 108.464 108.800 -0.137 0.000 2.433 466 G HA2 -0.132 3.824 3.960 -0.008 0.000 0.216 466 G HA3 -0.132 3.824 3.960 -0.008 0.000 0.216 466 G C 1.664 176.412 174.900 -0.255 0.000 1.186 466 G CA 2.102 47.084 45.100 -0.196 0.000 0.779 466 G HN 1.037 nan 8.290 nan 0.000 0.543 467 V N -0.722 118.928 119.914 -0.441 0.000 2.358 467 V HA 0.043 4.159 4.120 -0.008 0.000 0.246 467 V C 2.609 178.602 176.094 -0.169 0.000 1.047 467 V CA 1.459 63.530 62.300 -0.382 0.000 1.035 467 V CB -0.579 30.870 31.823 -0.624 0.000 0.658 467 V HN 0.265 nan 8.190 nan 0.000 0.452 468 L N 0.185 121.351 121.223 -0.094 0.000 2.610 468 L HA 0.166 4.501 4.340 -0.008 0.000 0.232 468 L C 0.914 177.774 176.870 -0.016 0.000 1.149 468 L CA 0.545 55.381 54.840 -0.007 0.000 0.872 468 L CB -0.928 41.165 42.059 0.057 0.000 0.992 468 L HN 0.501 nan 8.230 nan 0.000 0.447 469 E N -0.199 119.974 120.200 -0.045 0.000 2.222 469 E HA -0.209 4.136 4.350 -0.008 0.000 0.189 469 E C -0.034 176.561 176.600 -0.007 0.000 1.415 469 E CA 0.220 56.602 56.400 -0.031 0.000 0.689 469 E CB -1.101 28.583 29.700 -0.027 0.000 1.107 469 E HN 0.448 nan 8.360 nan 0.000 0.350 470 A N 2.036 124.858 122.820 0.003 0.000 2.331 470 A HA 0.589 4.904 4.320 -0.008 0.000 0.320 470 A C -0.075 177.523 177.584 0.023 0.000 1.138 470 A CA -0.610 51.438 52.037 0.019 0.000 0.790 470 A CB 1.119 20.139 19.000 0.034 0.000 1.206 470 A HN 0.247 nan 8.150 nan 0.000 0.470 471 E N 1.236 121.449 120.200 0.022 0.000 2.320 471 E HA 0.396 4.742 4.350 -0.008 0.000 0.264 471 E C -0.716 175.901 176.600 0.029 0.000 0.923 471 E CA -1.246 55.169 56.400 0.025 0.000 0.796 471 E CB 1.109 30.820 29.700 0.018 0.000 1.262 471 E HN 0.665 nan 8.360 nan 0.000 0.428 472 N N -0.245 118.473 118.700 0.031 0.000 2.740 472 N HA -0.146 4.590 4.740 -0.008 0.000 0.248 472 N C -0.939 174.593 175.510 0.038 0.000 1.062 472 N CA 0.421 53.490 53.050 0.031 0.000 0.704 472 N CB -1.217 37.284 38.487 0.024 0.000 0.968 472 N HN 0.145 nan 8.380 nan 0.000 0.547 473 V N 2.057 122.000 119.914 0.048 0.000 2.432 473 V HA 0.288 4.403 4.120 -0.008 0.000 0.271 473 V C -0.795 175.339 176.094 0.066 0.000 1.046 473 V CA -0.866 61.470 62.300 0.059 0.000 0.945 473 V CB 1.242 33.109 31.823 0.073 0.000 0.992 473 V HN 0.145 nan 8.190 nan 0.000 0.471 474 P HA 0.303 nan 4.420 nan 0.000 0.277 474 P C 0.653 178.007 177.300 0.091 0.000 1.271 474 P CA 0.236 63.375 63.100 0.064 0.000 0.795 474 P CB 0.784 32.515 31.700 0.051 0.000 1.101 475 G N -0.053 108.798 108.800 0.085 0.000 2.341 475 G HA2 -0.236 3.719 3.960 -0.008 0.000 0.292 475 G HA3 -0.236 3.719 3.960 -0.008 0.000 0.292 475 G C 0.522 175.535 174.900 0.189 0.000 1.021 475 G CA 0.480 45.650 45.100 0.117 0.000 0.905 475 G HN 0.481 nan 8.290 nan 0.000 0.508 476 L N -1.072 120.238 121.223 0.146 0.000 2.554 476 L HA 0.258 4.593 4.340 -0.008 0.000 0.225 476 L C 0.338 177.225 176.870 0.028 0.000 1.104 476 L CA 0.061 55.026 54.840 0.208 0.000 0.866 476 L CB 0.098 42.269 42.059 0.187 0.000 1.047 476 L HN 0.128 nan 8.230 nan 0.000 0.468 477 D N 0.529 120.895 120.400 -0.058 0.000 2.248 477 D HA 0.324 4.959 4.640 -0.008 0.000 0.246 477 D C -0.016 176.154 176.300 -0.216 0.000 1.027 477 D CA -0.081 53.846 54.000 -0.122 0.000 0.853 477 D CB 3.048 43.826 40.800 -0.037 0.000 1.243 477 D HN -0.195 nan 8.370 nan 0.000 0.462 478 V N -0.715 119.058 119.914 -0.234 0.000 2.454 478 V HA 0.354 4.469 4.120 -0.008 0.000 0.255 478 V C -2.505 173.543 176.094 -0.077 0.000 1.009 478 V CA -1.373 60.808 62.300 -0.199 0.000 1.149 478 V CB 0.440 32.085 31.823 -0.298 0.000 1.418 478 V HN 0.315 nan 8.190 nan 0.000 0.567 479 P HA 0.436 nan 4.420 nan 0.000 0.276 479 P C 0.812 178.090 177.300 -0.038 0.000 1.261 479 P CA 0.964 64.049 63.100 -0.024 0.000 0.800 479 P CB 1.375 33.064 31.700 -0.019 0.000 1.066 480 G N 0.081 108.861 108.800 -0.034 0.000 2.182 480 G HA2 -0.185 3.771 3.960 -0.008 0.000 0.248 480 G HA3 -0.185 3.771 3.960 -0.008 0.000 0.248 480 G C -0.181 174.653 174.900 -0.111 0.000 1.042 480 G CA -0.157 44.908 45.100 -0.059 0.000 0.775 480 G HN 0.488 nan 8.290 nan 0.000 0.501 481 I N 0.531 121.012 120.570 -0.149 0.000 2.389 481 I HA 0.294 4.459 4.170 -0.008 0.000 0.288 481 I C -0.747 175.112 176.117 -0.431 0.000 0.999 481 I CA -0.820 60.264 61.300 -0.360 0.000 1.129 481 I CB 1.818 39.496 38.000 -0.538 0.000 1.288 481 I HN 0.025 nan 8.210 nan 0.000 0.444 482 D N 6.433 126.608 120.400 -0.375 0.000 2.467 482 D HA 0.207 4.843 4.640 -0.008 0.000 0.220 482 D C 0.593 176.728 176.300 -0.275 0.000 1.103 482 D CA -0.289 53.581 54.000 -0.218 0.000 0.886 482 D CB 0.593 41.324 40.800 -0.116 0.000 1.025 482 D HN 0.298 nan 8.370 nan 0.000 0.514 483 F N 2.031 121.989 119.950 0.013 0.000 2.293 483 F HA 0.006 4.528 4.527 -0.008 0.000 0.300 483 F C 2.368 178.177 175.800 0.016 0.000 1.086 483 F CA 0.522 58.533 58.000 0.019 0.000 1.375 483 F CB 0.018 39.038 39.000 0.033 0.000 1.045 483 F HN 0.233 nan 8.300 nan 0.000 0.516 484 R N 0.173 120.765 120.500 0.154 0.000 2.092 484 R HA -0.072 4.263 4.340 -0.008 0.000 0.231 484 R C 2.474 178.798 176.300 0.041 0.000 1.119 484 R CA 1.129 57.286 56.100 0.096 0.000 0.970 484 R CB -0.672 29.673 30.300 0.075 0.000 0.864 484 R HN 0.261 nan 8.270 nan 0.000 0.440 485 A N 0.960 123.780 122.820 -0.000 0.000 1.898 485 A HA -0.108 4.207 4.320 -0.008 0.000 0.216 485 A C 2.114 179.664 177.584 -0.057 0.000 1.181 485 A CA 1.093 53.107 52.037 -0.039 0.000 0.620 485 A CB -0.504 18.456 19.000 -0.068 0.000 0.819 485 A HN 0.178 nan 8.150 nan 0.000 0.442 486 L N -0.813 120.377 121.223 -0.056 0.000 2.046 486 L HA -0.200 4.136 4.340 -0.008 0.000 0.208 486 L C 3.113 179.993 176.870 0.017 0.000 1.077 486 L CA 1.069 55.881 54.840 -0.048 0.000 0.747 486 L CB -0.592 41.460 42.059 -0.012 0.000 0.896 486 L HN 0.450 nan 8.230 nan 0.000 0.432 487 A N 0.162 123.021 122.820 0.065 0.000 1.902 487 A HA -0.260 4.056 4.320 -0.008 0.000 0.217 487 A C 2.409 180.031 177.584 0.063 0.000 1.181 487 A CA 1.991 54.078 52.037 0.084 0.000 0.623 487 A CB -0.461 18.591 19.000 0.086 0.000 0.818 487 A HN 0.343 nan 8.150 nan 0.000 0.443 488 K N -0.528 119.886 120.400 0.023 0.000 2.057 488 K HA -0.110 4.206 4.320 -0.008 0.000 0.207 488 K C 2.019 178.603 176.600 -0.027 0.000 1.049 488 K CA 1.400 57.691 56.287 0.007 0.000 0.931 488 K CB -0.586 31.909 32.500 -0.008 0.000 0.714 488 K HN 0.374 nan 8.250 nan 0.000 0.440 489 G N -0.163 108.572 108.800 -0.109 0.000 2.469 489 G HA2 -0.251 3.705 3.960 -0.008 0.000 0.220 489 G HA3 -0.251 3.705 3.960 -0.008 0.000 0.220 489 G C 0.862 175.587 174.900 -0.290 0.000 1.136 489 G CA 0.936 45.877 45.100 -0.264 0.000 0.759 489 G HN 0.449 nan 8.290 nan 0.000 0.562 490 Y N -0.002 120.355 120.300 0.096 0.000 2.607 490 Y HA 0.375 4.920 4.550 -0.008 0.000 0.266 490 Y C 1.763 177.743 175.900 0.133 0.000 1.178 490 Y CA -0.202 58.013 58.100 0.192 0.000 1.226 490 Y CB 0.686 39.262 38.460 0.195 0.000 1.144 490 Y HN 0.266 nan 8.280 nan 0.000 0.528 491 G N 0.914 109.817 108.800 0.172 0.000 2.198 491 G HA2 -0.247 3.709 3.960 -0.008 0.000 0.257 491 G HA3 -0.247 3.709 3.960 -0.008 0.000 0.257 491 G C -0.517 174.422 174.900 0.065 0.000 1.042 491 G CA 0.162 45.316 45.100 0.090 0.000 0.791 491 G HN 0.142 nan 8.290 nan 0.000 0.502 492 V N 0.485 120.449 119.914 0.085 0.000 2.459 492 V HA 0.421 4.537 4.120 -0.008 0.000 0.295 492 V C 0.826 176.965 176.094 0.075 0.000 1.029 492 V CA -0.751 61.597 62.300 0.080 0.000 0.874 492 V CB 1.887 33.762 31.823 0.087 0.000 0.985 492 V HN 0.520 nan 8.190 nan 0.000 0.438 493 Q N 2.506 122.349 119.800 0.072 0.000 2.286 493 Q HA 0.385 4.721 4.340 -0.008 0.000 0.290 493 Q C -0.186 175.862 176.000 0.079 0.000 1.049 493 Q CA 0.171 56.013 55.803 0.064 0.000 0.923 493 Q CB 0.785 29.558 28.738 0.058 0.000 1.183 493 Q HN 0.943 nan 8.270 nan 0.000 0.383 494 A N 4.871 127.732 122.820 0.068 0.000 2.374 494 A HA 0.799 5.115 4.320 -0.008 0.000 0.317 494 A C -1.335 176.288 177.584 0.066 0.000 1.094 494 A CA -0.703 51.381 52.037 0.078 0.000 0.765 494 A CB 1.158 20.204 19.000 0.078 0.000 1.268 494 A HN 0.737 nan 8.150 nan 0.000 0.438 495 L N 0.502 121.768 121.223 0.071 0.000 2.376 495 L HA 0.677 5.013 4.340 -0.008 0.000 0.258 495 L C -0.538 176.367 176.870 0.058 0.000 1.013 495 L CA -1.029 53.845 54.840 0.056 0.000 0.822 495 L CB 2.538 44.627 42.059 0.050 0.000 1.388 495 L HN 0.722 nan 8.230 nan 0.000 0.413 496 K N 1.188 121.616 120.400 0.047 0.000 2.316 496 K HA 0.835 5.150 4.320 -0.008 0.000 0.251 496 K C -1.351 175.268 176.600 0.032 0.000 0.934 496 K CA -0.301 56.013 56.287 0.045 0.000 0.802 496 K CB 2.196 34.723 32.500 0.044 0.000 1.171 496 K HN 0.631 nan 8.250 nan 0.000 0.426 497 A N 3.644 126.480 122.820 0.026 0.000 2.522 497 A HA 0.333 4.649 4.320 -0.008 0.000 0.285 497 A C -0.809 176.780 177.584 0.008 0.000 1.198 497 A CA -0.613 51.432 52.037 0.014 0.000 0.742 497 A CB 0.488 19.493 19.000 0.008 0.000 1.176 497 A HN 0.834 nan 8.150 nan 0.000 0.444 498 D N 1.029 121.434 120.400 0.009 0.000 2.350 498 D HA 0.055 4.690 4.640 -0.008 0.000 0.213 498 D C 0.090 176.387 176.300 -0.004 0.000 1.031 498 D CA 0.903 54.905 54.000 0.003 0.000 0.861 498 D CB 0.426 41.231 40.800 0.008 0.000 0.926 498 D HN 0.789 nan 8.370 nan 0.000 0.520 499 N N -1.145 117.554 118.700 -0.002 0.000 2.934 499 N HA 0.061 4.796 4.740 -0.008 0.000 0.253 499 N C 0.281 175.791 175.510 0.001 0.000 1.466 499 N CA -0.740 52.308 53.050 -0.003 0.000 0.858 499 N CB 1.080 39.569 38.487 0.003 0.000 1.459 499 N HN -0.249 nan 8.380 nan 0.000 0.532 500 L N 0.032 121.258 121.223 0.005 0.000 2.013 500 L HA -0.042 4.294 4.340 -0.008 0.000 0.212 500 L C 1.690 178.566 176.870 0.011 0.000 1.073 500 L CA 2.057 56.902 54.840 0.009 0.000 0.753 500 L CB -0.920 41.149 42.059 0.017 0.000 0.890 500 L HN 0.660 nan 8.230 nan 0.000 0.432 501 E N -0.382 119.825 120.200 0.012 0.000 2.077 501 E HA -0.243 4.102 4.350 -0.008 0.000 0.193 501 E C 2.209 178.816 176.600 0.012 0.000 0.989 501 E CA 1.379 57.786 56.400 0.012 0.000 0.800 501 E CB -0.267 29.440 29.700 0.012 0.000 0.746 501 E HN 0.685 nan 8.360 nan 0.000 0.452 502 Q N 0.015 119.822 119.800 0.011 0.000 2.119 502 Q HA -0.128 4.208 4.340 -0.008 0.000 0.201 502 Q C 2.267 178.274 176.000 0.012 0.000 0.972 502 Q CA 0.730 56.541 55.803 0.012 0.000 0.847 502 Q CB -0.145 28.600 28.738 0.012 0.000 0.903 502 Q HN 0.123 nan 8.270 nan 0.000 0.433 503 L N 1.387 122.616 121.223 0.009 0.000 1.989 503 L HA -0.224 4.111 4.340 -0.008 0.000 0.211 503 L C 1.859 178.736 176.870 0.012 0.000 1.071 503 L CA 1.921 56.765 54.840 0.007 0.000 0.749 503 L CB -0.314 41.744 42.059 -0.002 0.000 0.890 503 L HN -0.003 nan 8.230 nan 0.000 0.431 504 K N -0.659 119.749 120.400 0.013 0.000 2.032 504 K HA -0.143 4.173 4.320 -0.008 0.000 0.209 504 K C 2.010 178.620 176.600 0.017 0.000 1.048 504 K CA 1.395 57.692 56.287 0.016 0.000 0.927 504 K CB -0.865 31.644 32.500 0.016 0.000 0.712 504 K HN 0.576 nan 8.250 nan 0.000 0.441 505 G N 0.755 109.565 108.800 0.015 0.000 2.421 505 G HA2 -0.254 3.701 3.960 -0.008 0.000 0.216 505 G HA3 -0.254 3.701 3.960 -0.008 0.000 0.216 505 G C 1.556 176.467 174.900 0.018 0.000 1.171 505 G CA 1.037 46.147 45.100 0.016 0.000 0.775 505 G HN 0.201 nan 8.290 nan 0.000 0.543 506 S N 0.527 116.238 115.700 0.020 0.000 2.356 506 S HA -0.033 4.432 4.470 -0.008 0.000 0.223 506 S C 2.312 176.926 174.600 0.024 0.000 1.032 506 S CA 0.928 59.142 58.200 0.024 0.000 1.005 506 S CB -0.350 62.866 63.200 0.026 0.000 0.867 506 S HN 0.294 nan 8.310 nan 0.000 0.449 507 L N 1.304 122.540 121.223 0.023 0.000 2.012 507 L HA -0.235 4.100 4.340 -0.008 0.000 0.210 507 L C 2.906 179.787 176.870 0.018 0.000 1.073 507 L CA 1.683 56.537 54.840 0.022 0.000 0.748 507 L CB -0.542 41.533 42.059 0.026 0.000 0.891 507 L HN 0.416 nan 8.230 nan 0.000 0.431 508 Q N -0.019 119.792 119.800 0.017 0.000 2.096 508 Q HA -0.291 4.044 4.340 -0.008 0.000 0.204 508 Q C 2.125 178.132 176.000 0.012 0.000 0.982 508 Q CA 2.051 57.862 55.803 0.014 0.000 0.850 508 Q CB -0.022 28.724 28.738 0.013 0.000 0.901 508 Q HN 0.471 nan 8.270 nan 0.000 0.422 509 E N -0.674 119.535 120.200 0.015 0.000 2.072 509 E HA -0.186 4.160 4.350 -0.008 0.000 0.191 509 E C 1.845 178.455 176.600 0.017 0.000 0.985 509 E CA 0.882 57.292 56.400 0.016 0.000 0.801 509 E CB -0.140 29.572 29.700 0.020 0.000 0.750 509 E HN 0.475 nan 8.360 nan 0.000 0.452 510 A N 1.055 123.887 122.820 0.020 0.000 1.858 510 A HA -0.184 4.131 4.320 -0.008 0.000 0.216 510 A C 2.079 179.667 177.584 0.006 0.000 1.190 510 A CA 1.106 53.155 52.037 0.020 0.000 0.617 510 A CB -0.689 18.325 19.000 0.024 0.000 0.827 510 A HN 0.285 nan 8.150 nan 0.000 0.443 511 L N 0.834 122.058 121.223 0.001 0.000 2.013 511 L HA -0.193 4.142 4.340 -0.008 0.000 0.212 511 L C 2.889 179.754 176.870 -0.007 0.000 1.073 511 L CA 2.639 57.474 54.840 -0.009 0.000 0.753 511 L CB -1.098 40.958 42.059 -0.006 0.000 0.890 511 L HN 0.626 nan 8.230 nan 0.000 0.432 512 S N -1.566 114.134 115.700 -0.000 0.000 2.562 512 S HA 0.254 4.719 4.470 -0.008 0.000 0.221 512 S C 1.088 175.690 174.600 0.003 0.000 0.975 512 S CA 0.079 58.280 58.200 0.000 0.000 0.918 512 S CB -0.446 62.756 63.200 0.003 0.000 0.772 512 S HN 0.302 nan 8.310 nan 0.000 0.531 513 A N 2.012 124.836 122.820 0.006 0.000 2.445 513 A HA 0.395 4.711 4.320 -0.008 0.000 0.242 513 A C 1.131 178.720 177.584 0.007 0.000 1.075 513 A CA -0.407 51.637 52.037 0.011 0.000 0.777 513 A CB 0.332 19.343 19.000 0.019 0.000 1.013 513 A HN 0.243 nan 8.150 nan 0.000 0.493 514 K N 1.260 121.664 120.400 0.008 0.000 2.426 514 K HA 0.109 4.424 4.320 -0.008 0.000 0.193 514 K C 0.910 177.516 176.600 0.010 0.000 1.028 514 K CA 0.940 57.231 56.287 0.006 0.000 1.047 514 K CB 0.201 32.704 32.500 0.004 0.000 0.821 514 K HN 0.759 nan 8.250 nan 0.000 0.513 515 G N 1.972 110.782 108.800 0.017 0.000 3.140 515 G HA2 0.408 4.363 3.960 -0.008 0.000 0.271 515 G HA3 0.408 4.363 3.960 -0.008 0.000 0.271 515 G C -2.918 172.010 174.900 0.046 0.000 1.370 515 G CA -1.298 43.818 45.100 0.027 0.000 1.014 515 G HN -0.208 nan 8.290 nan 0.000 0.541 516 P HA 0.357 nan 4.420 nan 0.000 0.271 516 P C -0.845 176.552 177.300 0.162 0.000 1.218 516 P CA -0.088 63.101 63.100 0.148 0.000 0.780 516 P CB 1.660 33.511 31.700 0.252 0.000 0.901 517 V N 3.538 123.571 119.914 0.199 0.000 2.808 517 V HA 0.367 4.482 4.120 -0.008 0.000 0.308 517 V C -0.084 176.175 176.094 0.275 0.000 1.099 517 V CA -0.757 61.651 62.300 0.180 0.000 0.920 517 V CB 2.187 34.068 31.823 0.098 0.000 1.014 517 V HN 0.477 nan 8.190 nan 0.000 0.425 518 L N 5.565 126.926 121.223 0.231 0.000 2.322 518 L HA 0.717 5.053 4.340 -0.008 0.000 0.281 518 L C -1.155 175.803 176.870 0.147 0.000 1.014 518 L CA -0.382 54.599 54.840 0.235 0.000 0.815 518 L CB 1.332 43.491 42.059 0.167 0.000 1.247 518 L HN 0.615 nan 8.230 nan 0.000 0.421 519 I N 4.606 125.251 120.570 0.126 0.000 2.382 519 I HA 0.311 4.476 4.170 -0.008 0.000 0.286 519 I C -0.341 175.808 176.117 0.053 0.000 1.002 519 I CA -0.451 60.896 61.300 0.079 0.000 1.135 519 I CB 1.830 39.865 38.000 0.059 0.000 1.288 519 I HN 0.619 nan 8.210 nan 0.000 0.448 520 E N 6.347 126.583 120.200 0.059 0.000 2.105 520 E HA 0.351 4.697 4.350 -0.008 0.000 0.285 520 E C -1.238 175.373 176.600 0.019 0.000 1.055 520 E CA -0.484 55.938 56.400 0.037 0.000 0.843 520 E CB 1.165 30.939 29.700 0.124 0.000 1.067 520 E HN 0.357 nan 8.360 nan 0.000 0.398 521 V N 3.875 123.778 119.914 -0.019 0.000 2.394 521 V HA 0.158 4.274 4.120 -0.008 0.000 0.282 521 V C -0.023 176.058 176.094 -0.021 0.000 1.031 521 V CA -0.740 61.547 62.300 -0.022 0.000 0.881 521 V CB 1.678 33.474 31.823 -0.045 0.000 0.982 521 V HN 0.619 nan 8.190 nan 0.000 0.451 522 S N 3.871 119.565 115.700 -0.010 0.000 2.405 522 S HA 0.387 4.852 4.470 -0.008 0.000 0.291 522 S C 0.504 175.084 174.600 -0.033 0.000 1.137 522 S CA -0.510 57.686 58.200 -0.007 0.000 1.061 522 S CB 0.344 63.544 63.200 -0.000 0.000 1.001 522 S HN 0.975 nan 8.310 nan 0.000 0.507 523 T N -0.640 113.895 114.554 -0.032 0.000 2.952 523 T HA 0.673 5.019 4.350 -0.008 0.000 0.286 523 T C 0.277 174.946 174.700 -0.052 0.000 1.024 523 T CA -1.006 61.062 62.100 -0.053 0.000 1.029 523 T CB 0.965 69.810 68.868 -0.039 0.000 1.094 523 T HN 0.398 nan 8.240 nan 0.000 0.515 524 V N -0.686 119.173 119.914 -0.091 0.000 2.649 524 V HA 0.751 4.867 4.120 -0.008 0.000 0.292 524 V C 0.788 176.884 176.094 0.003 0.000 1.055 524 V CA -0.299 61.953 62.300 -0.079 0.000 1.023 524 V CB -0.438 31.271 31.823 -0.191 0.000 0.992 524 V HN 1.396 nan 8.190 nan 0.000 0.480 525 S N 0.000 115.715 115.700 0.025 0.000 2.498 525 S HA 0.000 4.465 4.470 -0.008 0.000 0.327 525 S CA 0.000 58.236 58.200 0.060 0.000 1.107 525 S CB 0.000 63.235 63.200 0.058 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517