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_C 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 0.000 177.675 177.584 0.152 0.000 1.274 2 A CA 0.000 52.117 52.037 0.133 0.000 0.836 2 A CB 0.000 19.099 19.000 0.165 0.000 0.831 3 S N -0.176 115.634 115.700 0.182 0.000 2.652 3 S HA 0.496 4.964 4.470 -0.002 0.000 0.270 3 S C 1.114 175.881 174.600 0.278 0.000 1.243 3 S CA 0.030 58.361 58.200 0.217 0.000 0.999 3 S CB 1.100 64.446 63.200 0.244 0.000 0.973 3 S HN 1.445 nan 8.310 nan 0.000 0.544 4 V N 1.615 121.702 119.914 0.289 0.000 2.392 4 V HA -0.206 3.913 4.120 -0.002 0.000 0.249 4 V C 2.556 178.966 176.094 0.527 0.000 1.059 4 V CA 2.286 64.775 62.300 0.316 0.000 1.051 4 V CB -1.438 30.501 31.823 0.192 0.000 0.658 4 V HN 1.039 nan 8.190 nan 0.000 0.455 5 H N 0.845 120.238 119.070 0.537 0.000 2.253 5 H HA -0.166 4.388 4.556 -0.002 0.000 0.296 5 H C 2.328 177.899 175.328 0.405 0.000 1.074 5 H CA 2.351 58.731 56.048 0.553 0.000 1.263 5 H CB -0.549 29.440 29.762 0.378 0.000 1.363 5 H HN 0.402 nan 8.280 nan 0.000 0.489 6 G N -0.441 108.635 108.800 0.459 0.000 2.446 6 G HA2 -0.275 3.683 3.960 -0.002 0.000 0.217 6 G HA3 -0.275 3.683 3.960 -0.002 0.000 0.217 6 G C 1.823 176.867 174.900 0.239 0.000 1.168 6 G CA 1.566 46.846 45.100 0.300 0.000 0.771 6 G HN 0.477 nan 8.290 nan 0.000 0.551 7 T N 0.935 115.662 114.554 0.288 0.000 2.759 7 T HA -0.124 4.224 4.350 -0.002 0.000 0.269 7 T C 2.612 177.514 174.700 0.337 0.000 1.042 7 T CA 1.808 64.120 62.100 0.354 0.000 1.140 7 T CB -0.491 68.585 68.868 0.347 0.000 0.864 7 T HN 0.313 nan 8.240 nan 0.000 0.455 8 T N 0.815 115.537 114.554 0.280 0.000 2.737 8 T HA -0.060 4.289 4.350 -0.002 0.000 0.265 8 T C 1.643 176.345 174.700 0.004 0.000 1.038 8 T CA 1.102 63.322 62.100 0.199 0.000 1.144 8 T CB -0.529 68.526 68.868 0.313 0.000 0.866 8 T HN 0.445 nan 8.240 nan 0.000 0.434 9 Y N 1.221 121.467 120.300 -0.090 0.000 2.274 9 Y HA -0.098 4.451 4.550 -0.002 0.000 0.290 9 Y C 2.654 178.492 175.900 -0.103 0.000 1.145 9 Y CA 1.151 59.085 58.100 -0.278 0.000 1.203 9 Y CB -0.128 37.992 38.460 -0.566 0.000 0.984 9 Y HN 0.175 nan 8.280 nan 0.000 0.533 10 E N 0.533 120.753 120.200 0.033 0.000 2.072 10 E HA -0.191 4.158 4.350 -0.002 0.000 0.191 10 E C 2.015 178.487 176.600 -0.213 0.000 0.985 10 E CA 1.009 57.298 56.400 -0.185 0.000 0.801 10 E CB -0.538 28.887 29.700 -0.458 0.000 0.750 10 E HN 0.353 nan 8.360 nan 0.000 0.452 11 L N 0.260 121.506 121.223 0.038 0.000 2.012 11 L HA -0.122 4.216 4.340 -0.002 0.000 0.210 11 L C 2.175 179.126 176.870 0.135 0.000 1.073 11 L CA 1.728 56.720 54.840 0.253 0.000 0.748 11 L CB -0.663 41.619 42.059 0.372 0.000 0.891 11 L HN 0.277 nan 8.230 nan 0.000 0.431 12 L N -0.292 120.993 121.223 0.102 0.000 1.989 12 L HA -0.254 4.084 4.340 -0.002 0.000 0.211 12 L C 2.911 179.858 176.870 0.129 0.000 1.071 12 L CA 2.140 57.045 54.840 0.108 0.000 0.749 12 L CB -0.735 41.368 42.059 0.073 0.000 0.890 12 L HN 0.427 nan 8.230 nan 0.000 0.431 13 R N -0.348 120.265 120.500 0.188 0.000 2.075 13 R HA -0.116 4.223 4.340 -0.002 0.000 0.232 13 R C 2.242 178.532 176.300 -0.016 0.000 1.126 13 R CA 0.852 56.967 56.100 0.025 0.000 0.963 13 R CB -0.499 29.839 30.300 0.063 0.000 0.858 13 R HN 0.186 nan 8.270 nan 0.000 0.435 14 R N 0.655 121.150 120.500 -0.009 0.000 2.193 14 R HA -0.014 4.324 4.340 -0.002 0.000 0.229 14 R C 1.424 177.757 176.300 0.055 0.000 1.110 14 R CA 0.899 57.005 56.100 0.008 0.000 0.988 14 R CB -0.116 30.186 30.300 0.003 0.000 0.871 14 R HN 0.434 nan 8.270 nan 0.000 0.458 15 Q N -0.603 119.230 119.800 0.056 0.000 2.246 15 Q HA 0.153 4.491 4.340 -0.002 0.000 0.202 15 Q C 0.697 176.710 176.000 0.022 0.000 0.883 15 Q CA 0.400 56.231 55.803 0.046 0.000 0.952 15 Q CB 0.951 29.707 28.738 0.030 0.000 1.078 15 Q HN 0.524 nan 8.270 nan 0.000 0.493 16 G N 1.150 109.950 108.800 0.002 0.000 2.176 16 G HA2 -0.265 3.693 3.960 -0.002 0.000 0.253 16 G HA3 -0.265 3.693 3.960 -0.002 0.000 0.253 16 G C 0.246 175.122 174.900 -0.040 0.000 0.979 16 G CA -0.059 45.029 45.100 -0.020 0.000 0.641 16 G HN 0.358 nan 8.290 nan 0.000 0.530 17 I N 1.480 122.025 120.570 -0.042 0.000 2.395 17 I HA 0.443 4.612 4.170 -0.002 0.000 0.289 17 I C 0.694 176.603 176.117 -0.347 0.000 1.023 17 I CA 0.157 61.430 61.300 -0.045 0.000 1.350 17 I CB 1.333 39.376 38.000 0.071 0.000 1.409 17 I HN 0.249 nan 8.210 nan 0.000 0.507 18 D N 1.495 121.670 120.400 -0.376 0.000 2.530 18 D HA 0.076 4.715 4.640 -0.002 0.000 0.253 18 D C -0.119 175.965 176.300 -0.360 0.000 1.338 18 D CA -0.036 53.475 54.000 -0.815 0.000 0.806 18 D CB 0.478 40.949 40.800 -0.549 0.000 1.160 18 D HN 0.284 nan 8.370 nan 0.000 0.514 19 T N 0.225 114.728 114.554 -0.085 0.000 2.886 19 T HA 0.587 4.936 4.350 -0.002 0.000 0.292 19 T C -0.842 173.872 174.700 0.023 0.000 1.012 19 T CA -0.603 61.431 62.100 -0.110 0.000 0.982 19 T CB 2.540 71.176 68.868 -0.388 0.000 1.018 19 T HN -0.118 nan 8.240 nan 0.000 0.451 20 V N 3.909 123.830 119.914 0.012 0.000 2.378 20 V HA 0.506 4.625 4.120 -0.002 0.000 0.288 20 V C -1.015 174.864 176.094 -0.359 0.000 1.016 20 V CA -0.846 61.571 62.300 0.194 0.000 0.840 20 V CB 0.705 32.872 31.823 0.573 0.000 0.994 20 V HN 0.794 nan 8.190 nan 0.000 0.431 21 F N 3.252 123.157 119.950 -0.074 0.000 2.410 21 F HA 0.844 5.370 4.527 -0.002 0.000 0.349 21 F C 0.889 176.561 175.800 -0.213 0.000 1.117 21 F CA -0.062 57.790 58.000 -0.246 0.000 1.104 21 F CB 1.853 40.766 39.000 -0.145 0.000 1.122 21 F HN 0.657 nan 8.300 nan 0.000 0.483 22 G N 2.187 110.868 108.800 -0.199 0.000 2.488 22 G HA2 0.275 4.234 3.960 -0.002 0.000 0.301 22 G HA3 0.275 4.234 3.960 -0.002 0.000 0.301 22 G C -2.222 172.767 174.900 0.149 0.000 1.339 22 G CA -0.913 44.203 45.100 0.026 0.000 0.803 22 G HN 0.524 nan 8.290 nan 0.000 0.482 23 N N 1.131 119.968 118.700 0.228 0.000 2.558 23 N HA 0.367 5.106 4.740 -0.002 0.000 0.285 23 N C -2.787 172.841 175.510 0.197 0.000 1.112 23 N CA -1.146 52.027 53.050 0.204 0.000 0.857 23 N CB 3.015 41.579 38.487 0.127 0.000 1.376 23 N HN 0.378 nan 8.380 nan 0.000 0.526 24 P HA 0.237 nan 4.420 nan 0.000 0.269 24 P C -0.143 177.120 177.300 -0.062 0.000 1.217 24 P CA 0.215 63.361 63.100 0.075 0.000 0.783 24 P CB 1.225 32.915 31.700 -0.016 0.000 0.898 25 G N -0.677 108.054 108.800 -0.114 0.000 2.660 25 G HA2 0.360 4.319 3.960 -0.002 0.000 0.290 25 G HA3 0.360 4.319 3.960 -0.002 0.000 0.290 25 G C 0.730 175.530 174.900 -0.167 0.000 1.432 25 G CA 0.062 44.871 45.100 -0.484 0.000 0.807 25 G HN 0.429 nan 8.290 nan 0.000 0.485 26 S N 0.133 115.734 115.700 -0.164 0.000 2.382 26 S HA -0.165 4.304 4.470 -0.002 0.000 0.228 26 S C 1.737 176.299 174.600 -0.063 0.000 1.027 26 S CA 1.737 59.884 58.200 -0.088 0.000 0.991 26 S CB -0.302 62.842 63.200 -0.093 0.000 0.823 26 S HN 0.436 nan 8.310 nan 0.000 0.469 27 N N 1.957 120.759 118.700 0.169 0.000 2.443 27 N HA -0.021 4.717 4.740 -0.002 0.000 0.184 27 N C 1.098 176.788 175.510 0.299 0.000 1.037 27 N CA 1.261 54.453 53.050 0.237 0.000 0.896 27 N CB -0.325 38.360 38.487 0.330 0.000 0.959 27 N HN 0.631 nan 8.380 nan 0.000 0.442 28 E N -0.507 119.846 120.200 0.255 0.000 2.476 28 E HA 0.212 4.560 4.350 -0.002 0.000 0.199 28 E C 1.756 178.474 176.600 0.197 0.000 1.021 28 E CA -0.152 56.420 56.400 0.287 0.000 0.907 28 E CB 0.061 29.942 29.700 0.301 0.000 0.974 28 E HN 0.220 nan 8.360 nan 0.000 0.489 29 L N 1.014 122.283 121.223 0.078 0.000 2.042 29 L HA -0.139 4.200 4.340 -0.002 0.000 0.210 29 L C -0.651 176.243 176.870 0.039 0.000 1.076 29 L CA 1.505 56.350 54.840 0.008 0.000 0.749 29 L CB -1.386 40.639 42.059 -0.058 0.000 0.893 29 L HN 0.136 nan 8.230 nan 0.000 0.432 30 P HA -0.203 nan 4.420 nan 0.000 0.221 30 P C 1.304 178.673 177.300 0.116 0.000 1.145 30 P CA 1.301 64.522 63.100 0.202 0.000 0.795 30 P CB 0.010 31.988 31.700 0.462 0.000 0.775 31 F N -0.411 119.373 119.950 -0.277 0.000 2.317 31 F HA 0.089 4.615 4.527 -0.002 0.000 0.293 31 F C 1.685 177.445 175.800 -0.068 0.000 1.085 31 F CA 0.990 58.597 58.000 -0.656 0.000 1.390 31 F CB -0.619 37.744 39.000 -1.062 0.000 1.077 31 F HN -0.288 nan 8.300 nan 0.000 0.517 32 L N 1.062 122.172 121.223 -0.189 0.000 2.341 32 L HA -0.025 4.314 4.340 -0.002 0.000 0.214 32 L C 1.056 177.862 176.870 -0.107 0.000 1.115 32 L CA 0.187 54.909 54.840 -0.197 0.000 0.820 32 L CB -0.792 41.166 42.059 -0.169 0.000 0.944 32 L HN 0.037 nan 8.230 nan 0.000 0.452 33 K N 0.262 120.615 120.400 -0.079 0.000 2.469 33 K HA -0.072 4.247 4.320 -0.002 0.000 0.274 33 K C -0.315 176.223 176.600 -0.103 0.000 0.983 33 K CA -0.113 56.116 56.287 -0.096 0.000 0.974 33 K CB 0.322 32.759 32.500 -0.105 0.000 0.913 33 K HN 0.003 nan 8.250 nan 0.000 0.493 34 D N 0.622 120.956 120.400 -0.110 0.000 2.723 34 D HA -0.213 4.426 4.640 -0.002 0.000 0.236 34 D C -0.720 175.486 176.300 -0.156 0.000 1.138 34 D CA 0.770 54.693 54.000 -0.128 0.000 0.676 34 D CB -1.279 39.404 40.800 -0.195 0.000 1.069 34 D HN 0.503 nan 8.370 nan 0.000 0.430 35 F N 1.128 120.888 119.950 -0.316 0.000 2.590 35 F HA 0.150 4.675 4.527 -0.002 0.000 0.389 35 F C -1.385 174.180 175.800 -0.392 0.000 1.049 35 F CA -1.331 56.406 58.000 -0.438 0.000 1.199 35 F CB 0.308 39.137 39.000 -0.284 0.000 1.058 35 F HN -0.132 nan 8.300 nan 0.000 0.556 36 P HA -0.045 nan 4.420 nan 0.000 0.265 36 P C 0.275 177.393 177.300 -0.303 0.000 1.187 36 P CA 0.287 63.037 63.100 -0.583 0.000 0.766 36 P CB 0.477 31.747 31.700 -0.716 0.000 0.820 37 E N 1.496 121.618 120.200 -0.129 0.000 2.338 37 E HA -0.145 4.203 4.350 -0.002 0.000 0.197 37 E C 0.743 177.336 176.600 -0.012 0.000 1.007 37 E CA 0.865 57.241 56.400 -0.040 0.000 0.849 37 E CB -0.073 29.609 29.700 -0.030 0.000 0.774 37 E HN 0.618 nan 8.360 nan 0.000 0.506 38 D N -0.268 120.134 120.400 0.003 0.000 2.328 38 D HA -0.028 4.610 4.640 -0.002 0.000 0.221 38 D C 0.055 176.296 176.300 -0.098 0.000 1.072 38 D CA -0.000 53.984 54.000 -0.027 0.000 0.850 38 D CB -0.133 40.641 40.800 -0.043 0.000 0.922 38 D HN -0.039 nan 8.370 nan 0.000 0.516 39 F N 1.160 120.960 119.950 -0.249 0.000 2.556 39 F HA 0.484 5.009 4.527 -0.002 0.000 0.327 39 F C 0.656 176.451 175.800 -0.009 0.000 1.059 39 F CA -1.163 56.686 58.000 -0.252 0.000 0.953 39 F CB 1.707 40.315 39.000 -0.653 0.000 1.227 39 F HN -0.219 nan 8.300 nan 0.000 0.478 40 R N 1.009 121.693 120.500 0.306 0.000 2.744 40 R HA 0.581 4.920 4.340 -0.002 0.000 0.279 40 R C -2.231 174.276 176.300 0.344 0.000 0.977 40 R CA -0.887 55.403 56.100 0.317 0.000 0.906 40 R CB 1.774 32.099 30.300 0.041 0.000 1.197 40 R HN 0.682 nan 8.270 nan 0.000 0.463 41 Y N 3.181 123.523 120.300 0.070 0.000 2.352 41 Y HA 0.461 5.009 4.550 -0.002 0.000 0.339 41 Y C -0.857 174.890 175.900 -0.255 0.000 0.992 41 Y CA -1.227 56.783 58.100 -0.151 0.000 1.100 41 Y CB 1.466 39.669 38.460 -0.428 0.000 1.192 41 Y HN 0.524 nan 8.280 nan 0.000 0.458 42 I N 8.107 128.239 120.570 -0.731 0.000 2.354 42 I HA 0.193 4.361 4.170 -0.002 0.000 0.286 42 I C -0.851 175.052 176.117 -0.357 0.000 1.007 42 I CA -0.776 60.120 61.300 -0.673 0.000 1.167 42 I CB 0.960 38.485 38.000 -0.791 0.000 1.320 42 I HN 0.508 nan 8.210 nan 0.000 0.458 43 L N 6.774 128.109 121.223 0.187 0.000 2.312 43 L HA 0.793 5.131 4.340 -0.002 0.000 0.281 43 L C -0.059 177.055 176.870 0.408 0.000 1.070 43 L CA 0.148 55.214 54.840 0.377 0.000 0.805 43 L CB 1.322 43.749 42.059 0.613 0.000 1.174 43 L HN 0.691 nan 8.230 nan 0.000 0.434 44 A N 4.878 127.859 122.820 0.268 0.000 2.401 44 A HA 0.541 4.860 4.320 -0.002 0.000 0.310 44 A C 0.415 178.066 177.584 0.111 0.000 1.075 44 A CA -0.640 51.530 52.037 0.222 0.000 0.746 44 A CB 1.076 20.162 19.000 0.143 0.000 1.277 44 A HN 0.872 nan 8.150 nan 0.000 0.425 45 L N 0.014 121.245 121.223 0.013 0.000 2.465 45 L HA 0.052 4.390 4.340 -0.002 0.000 0.224 45 L C 0.959 177.798 176.870 -0.051 0.000 1.145 45 L CA 0.976 55.746 54.840 -0.116 0.000 0.834 45 L CB -0.038 41.862 42.059 -0.265 0.000 0.944 45 L HN 0.707 nan 8.230 nan 0.000 0.451 46 Q N -0.587 119.211 119.800 -0.004 0.000 2.353 46 Q HA 0.112 4.451 4.340 -0.002 0.000 0.275 46 Q C -0.167 175.860 176.000 0.044 0.000 1.029 46 Q CA -0.299 55.515 55.803 0.019 0.000 0.848 46 Q CB 2.333 31.079 28.738 0.014 0.000 1.390 46 Q HN -0.028 nan 8.270 nan 0.000 0.401 47 E N 1.396 121.629 120.200 0.056 0.000 2.130 47 E HA -0.208 4.141 4.350 -0.002 0.000 0.196 47 E C 1.525 178.159 176.600 0.056 0.000 0.998 47 E CA 1.977 58.416 56.400 0.065 0.000 0.806 47 E CB -0.011 29.733 29.700 0.073 0.000 0.738 47 E HN 0.661 nan 8.360 nan 0.000 0.459 48 A N -0.031 122.821 122.820 0.054 0.000 1.972 48 A HA -0.198 4.121 4.320 -0.002 0.000 0.219 48 A C 2.288 179.902 177.584 0.050 0.000 1.169 48 A CA 1.396 53.468 52.037 0.057 0.000 0.635 48 A CB -0.724 18.320 19.000 0.072 0.000 0.810 48 A HN 0.424 nan 8.150 nan 0.000 0.446 49 C N -1.588 117.738 119.300 0.043 0.000 2.475 49 C HA 0.031 4.489 4.460 -0.002 0.000 0.279 49 C C 2.660 177.668 174.990 0.030 0.000 1.322 49 C CA 0.603 59.641 59.018 0.032 0.000 1.734 49 C CB -1.146 26.612 27.740 0.030 0.000 2.005 49 C HN 0.441 nan 8.230 nan 0.000 0.495 50 V N 1.193 121.135 119.914 0.048 0.000 2.233 50 V HA -0.221 3.898 4.120 -0.002 0.000 0.247 50 V C 2.469 178.564 176.094 0.001 0.000 1.050 50 V CA 2.325 64.660 62.300 0.058 0.000 1.010 50 V CB -0.797 31.073 31.823 0.080 0.000 0.637 50 V HN 0.446 nan 8.190 nan 0.000 0.444 51 V N 0.748 120.666 119.914 0.006 0.000 2.427 51 V HA -0.143 3.976 4.120 -0.002 0.000 0.248 51 V C 2.598 178.666 176.094 -0.042 0.000 1.051 51 V CA 1.975 64.264 62.300 -0.018 0.000 1.048 51 V CB -1.375 30.464 31.823 0.025 0.000 0.666 51 V HN 0.627 nan 8.190 nan 0.000 0.456 52 G N 0.116 108.906 108.800 -0.018 0.000 2.421 52 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.216 52 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.216 52 G C 1.567 176.374 174.900 -0.156 0.000 1.171 52 G CA 1.078 46.154 45.100 -0.040 0.000 0.775 52 G HN 0.482 nan 8.290 nan 0.000 0.543 53 I N 1.378 121.854 120.570 -0.157 0.000 2.142 53 I HA -0.178 3.990 4.170 -0.002 0.000 0.240 53 I C 3.328 179.174 176.117 -0.452 0.000 1.078 53 I CA 1.038 62.214 61.300 -0.207 0.000 1.343 53 I CB -0.318 37.639 38.000 -0.072 0.000 1.046 53 I HN 0.245 nan 8.210 nan 0.000 0.405 54 A N 0.281 122.673 122.820 -0.714 0.000 1.940 54 A HA -0.297 4.022 4.320 -0.002 0.000 0.219 54 A C 2.072 179.409 177.584 -0.412 0.000 1.176 54 A CA 2.211 53.595 52.037 -1.088 0.000 0.631 54 A CB -0.660 17.872 19.000 -0.780 0.000 0.814 54 A HN 0.448 nan 8.150 nan 0.000 0.446 55 D N -0.349 119.928 120.400 -0.204 0.000 2.084 55 D HA -0.095 4.543 4.640 -0.002 0.000 0.194 55 D C 2.114 178.380 176.300 -0.056 0.000 0.990 55 D CA 1.746 55.725 54.000 -0.036 0.000 0.826 55 D CB -0.651 40.224 40.800 0.125 0.000 0.971 55 D HN 0.309 nan 8.370 nan 0.000 0.453 56 G N -0.898 107.812 108.800 -0.151 0.000 2.440 56 G HA2 -0.322 3.636 3.960 -0.002 0.000 0.218 56 G HA3 -0.322 3.636 3.960 -0.002 0.000 0.218 56 G C 1.702 176.488 174.900 -0.189 0.000 1.154 56 G CA 0.982 45.923 45.100 -0.266 0.000 0.767 56 G HN 0.371 nan 8.290 nan 0.000 0.552 57 Y N 1.980 122.127 120.300 -0.255 0.000 2.128 57 Y HA -0.039 4.509 4.550 -0.002 0.000 0.284 57 Y C 2.945 178.790 175.900 -0.091 0.000 1.154 57 Y CA 1.515 59.525 58.100 -0.151 0.000 1.149 57 Y CB -0.380 37.986 38.460 -0.157 0.000 0.976 57 Y HN 0.255 nan 8.280 nan 0.000 0.505 58 A N 0.024 122.838 122.820 -0.010 0.000 1.877 58 A HA -0.230 4.089 4.320 -0.002 0.000 0.216 58 A C 2.124 179.679 177.584 -0.049 0.000 1.186 58 A CA 1.863 53.888 52.037 -0.020 0.000 0.620 58 A CB -0.775 18.247 19.000 0.037 0.000 0.822 58 A HN 0.643 nan 8.150 nan 0.000 0.443 59 Q N -0.730 119.046 119.800 -0.041 0.000 2.096 59 Q HA -0.144 4.194 4.340 -0.002 0.000 0.204 59 Q C 2.409 178.430 176.000 0.035 0.000 0.982 59 Q CA 1.490 57.307 55.803 0.024 0.000 0.850 59 Q CB -0.346 28.417 28.738 0.041 0.000 0.901 59 Q HN 0.694 nan 8.270 nan 0.000 0.422 60 A N 1.015 123.782 122.820 -0.088 0.000 1.898 60 A HA -0.128 4.191 4.320 -0.002 0.000 0.214 60 A C 2.232 179.767 177.584 -0.082 0.000 1.183 60 A CA 1.490 53.509 52.037 -0.030 0.000 0.622 60 A CB -0.453 18.484 19.000 -0.105 0.000 0.824 60 A HN 0.426 nan 8.150 nan 0.000 0.444 61 S N -1.227 114.344 115.700 -0.214 0.000 2.481 61 S HA -0.045 4.423 4.470 -0.002 0.000 0.231 61 S C 0.961 175.493 174.600 -0.113 0.000 0.996 61 S CA 0.678 58.734 58.200 -0.240 0.000 0.942 61 S CB -0.370 62.533 63.200 -0.494 0.000 0.768 61 S HN 0.521 nan 8.310 nan 0.000 0.520 62 R N 0.428 120.891 120.500 -0.061 0.000 3.641 62 R HA -0.117 4.221 4.340 -0.002 0.000 0.286 62 R C -0.900 175.394 176.300 -0.010 0.000 1.153 62 R CA 0.981 57.075 56.100 -0.010 0.000 0.775 62 R CB -1.983 28.320 30.300 0.006 0.000 1.215 62 R HN 0.568 nan 8.270 nan 0.000 0.474 63 K N -0.092 120.297 120.400 -0.019 0.000 2.512 63 K HA 0.431 4.750 4.320 -0.002 0.000 0.263 63 K C -2.570 174.060 176.600 0.050 0.000 0.966 63 K CA -2.014 54.280 56.287 0.012 0.000 0.851 63 K CB 2.625 35.129 32.500 0.006 0.000 1.395 63 K HN -0.217 nan 8.250 nan 0.000 0.440 64 P HA 0.046 nan 4.420 nan 0.000 0.269 64 P C -1.288 176.133 177.300 0.202 0.000 1.215 64 P CA -0.217 62.953 63.100 0.117 0.000 0.780 64 P CB 0.834 32.596 31.700 0.103 0.000 0.898 65 A N 2.901 125.855 122.820 0.224 0.000 2.342 65 A HA 0.571 4.889 4.320 -0.002 0.000 0.323 65 A C -1.114 176.675 177.584 0.341 0.000 1.125 65 A CA -0.653 51.586 52.037 0.338 0.000 0.785 65 A CB 0.520 19.650 19.000 0.217 0.000 1.221 65 A HN 0.502 nan 8.150 nan 0.000 0.463 66 F N 2.710 122.848 119.950 0.312 0.000 2.408 66 F HA 0.713 5.239 4.527 -0.002 0.000 0.344 66 F C -0.416 175.569 175.800 0.309 0.000 1.112 66 F CA -0.511 57.649 58.000 0.267 0.000 1.096 66 F CB 0.703 39.859 39.000 0.260 0.000 1.129 66 F HN 0.433 nan 8.300 nan 0.000 0.486 67 I N 4.678 125.032 120.570 -0.359 0.000 2.689 67 I HA 0.318 4.486 4.170 -0.002 0.000 0.299 67 I C -1.169 174.764 176.117 -0.308 0.000 1.059 67 I CA -1.003 60.212 61.300 -0.143 0.000 1.055 67 I CB 2.256 40.221 38.000 -0.058 0.000 1.243 67 I HN 0.527 nan 8.210 nan 0.000 0.425 68 N N 5.821 124.530 118.700 0.015 0.000 2.504 68 N HA 0.579 5.318 4.740 -0.002 0.000 0.280 68 N C -1.617 173.984 175.510 0.152 0.000 1.052 68 N CA -0.327 52.783 53.050 0.100 0.000 0.887 68 N CB 1.055 39.778 38.487 0.394 0.000 1.323 68 N HN 0.473 nan 8.380 nan 0.000 0.509 69 L N 1.098 122.390 121.223 0.115 0.000 2.304 69 L HA 0.488 4.826 4.340 -0.002 0.000 0.268 69 L C -0.311 176.680 176.870 0.202 0.000 1.010 69 L CA -1.230 53.706 54.840 0.159 0.000 0.813 69 L CB 1.302 43.444 42.059 0.140 0.000 1.315 69 L HN 0.572 nan 8.230 nan 0.000 0.445 70 H N 0.492 119.625 119.070 0.106 0.000 2.685 70 H HA 0.316 4.870 4.556 -0.002 0.000 0.286 70 H C 0.288 175.674 175.328 0.096 0.000 1.102 70 H CA 0.639 56.748 56.048 0.100 0.000 1.254 70 H CB 0.693 30.506 29.762 0.084 0.000 1.397 70 H HN 0.697 nan 8.280 nan 0.000 0.473 71 S N 2.944 118.491 115.700 -0.254 0.000 2.865 71 S HA -0.378 4.090 4.470 -0.002 0.000 0.630 71 S C 1.789 176.354 174.600 -0.059 0.000 3.160 71 S CA 1.625 59.699 58.200 -0.211 0.000 3.629 71 S CB -1.270 61.679 63.200 -0.417 0.000 0.312 71 S HN 1.103 nan 8.310 nan 0.000 1.632 72 A N 0.510 123.297 122.820 -0.056 0.000 1.858 72 A HA 0.255 4.573 4.320 -0.002 0.000 0.216 72 A C 2.689 180.270 177.584 -0.006 0.000 1.190 72 A CA 2.808 54.836 52.037 -0.015 0.000 0.617 72 A CB -1.630 17.356 19.000 -0.023 0.000 0.827 72 A HN 1.771 nan 8.150 nan 0.000 0.443 73 A N -0.481 122.337 122.820 -0.003 0.000 1.883 73 A HA 0.054 4.372 4.320 -0.002 0.000 0.217 73 A C 2.428 180.046 177.584 0.056 0.000 1.186 73 A CA 2.166 54.223 52.037 0.033 0.000 0.624 73 A CB -1.459 17.578 19.000 0.063 0.000 0.822 73 A HN 0.761 nan 8.150 nan 0.000 0.444 74 G N -1.337 107.512 108.800 0.082 0.000 2.421 74 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.216 74 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.216 74 G C 1.590 176.540 174.900 0.085 0.000 1.171 74 G CA 1.635 46.802 45.100 0.112 0.000 0.775 74 G HN 0.431 nan 8.290 nan 0.000 0.543 75 T N 1.103 115.705 114.554 0.080 0.000 2.684 75 T HA -0.067 4.282 4.350 -0.002 0.000 0.267 75 T C 2.500 177.200 174.700 -0.001 0.000 1.036 75 T CA 1.544 63.681 62.100 0.062 0.000 1.148 75 T CB -0.709 68.195 68.868 0.061 0.000 0.863 75 T HN 0.361 nan 8.240 nan 0.000 0.436 76 G N 2.325 111.120 108.800 -0.008 0.000 2.476 76 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.218 76 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.218 76 G C 1.589 176.491 174.900 0.002 0.000 1.164 76 G CA 0.840 45.929 45.100 -0.018 0.000 0.768 76 G HN 0.405 nan 8.290 nan 0.000 0.560 77 N N 1.034 119.749 118.700 0.025 0.000 2.443 77 N HA -0.006 4.733 4.740 -0.002 0.000 0.184 77 N C 1.904 177.436 175.510 0.037 0.000 1.037 77 N CA 0.979 54.051 53.050 0.036 0.000 0.896 77 N CB -0.124 38.391 38.487 0.048 0.000 0.959 77 N HN 0.371 nan 8.380 nan 0.000 0.442 78 A N -0.359 122.479 122.820 0.030 0.000 2.348 78 A HA 0.187 4.505 4.320 -0.002 0.000 0.224 78 A C 1.857 179.447 177.584 0.011 0.000 1.227 78 A CA -0.137 51.919 52.037 0.031 0.000 0.885 78 A CB 0.042 19.068 19.000 0.043 0.000 0.933 78 A HN -0.006 nan 8.150 nan 0.000 0.506 79 M N -0.154 119.439 119.600 -0.011 0.000 2.108 79 M HA -0.125 4.353 4.480 -0.002 0.000 0.261 79 M C 2.203 178.490 176.300 -0.022 0.000 1.066 79 M CA 1.700 56.978 55.300 -0.036 0.000 1.107 79 M CB -1.674 30.893 32.600 -0.054 0.000 1.356 79 M HN 0.473 nan 8.290 nan 0.000 0.406 80 G N -0.091 108.707 108.800 -0.004 0.000 2.418 80 G HA2 -0.082 3.876 3.960 -0.002 0.000 0.217 80 G HA3 -0.082 3.876 3.960 -0.002 0.000 0.217 80 G C 1.679 176.581 174.900 0.003 0.000 1.158 80 G CA 1.270 46.368 45.100 -0.004 0.000 0.771 80 G HN 0.550 nan 8.290 nan 0.000 0.545 81 A N 0.533 123.370 122.820 0.029 0.000 1.933 81 A HA 0.100 4.419 4.320 -0.002 0.000 0.218 81 A C 2.412 180.022 177.584 0.043 0.000 1.175 81 A CA 1.203 53.273 52.037 0.054 0.000 0.628 81 A CB -0.385 18.656 19.000 0.069 0.000 0.814 81 A HN 0.358 nan 8.150 nan 0.000 0.444 82 L N 0.488 121.731 121.223 0.032 0.000 2.201 82 L HA -0.168 4.171 4.340 -0.002 0.000 0.212 82 L C 2.996 179.903 176.870 0.061 0.000 1.105 82 L CA 1.410 56.280 54.840 0.050 0.000 0.775 82 L CB -0.476 41.599 42.059 0.027 0.000 0.913 82 L HN 0.660 nan 8.230 nan 0.000 0.440 83 S N -0.326 115.381 115.700 0.012 0.000 2.382 83 S HA -0.171 4.298 4.470 -0.002 0.000 0.228 83 S C 1.766 176.384 174.600 0.031 0.000 1.027 83 S CA 1.204 59.407 58.200 0.005 0.000 0.991 83 S CB -0.359 62.814 63.200 -0.045 0.000 0.823 83 S HN 0.432 nan 8.310 nan 0.000 0.469 84 N N 2.501 121.182 118.700 -0.031 0.000 2.106 84 N HA 0.092 4.831 4.740 -0.002 0.000 0.188 84 N C 2.106 177.569 175.510 -0.077 0.000 1.029 84 N CA 1.454 54.428 53.050 -0.125 0.000 0.848 84 N CB -0.989 37.336 38.487 -0.269 0.000 1.007 84 N HN 0.603 nan 8.380 nan 0.000 0.423 85 A N 1.494 124.315 122.820 0.002 0.000 1.940 85 A HA -0.182 4.137 4.320 -0.002 0.000 0.219 85 A C 2.040 179.665 177.584 0.068 0.000 1.176 85 A CA 1.179 53.240 52.037 0.040 0.000 0.631 85 A CB -1.093 17.957 19.000 0.084 0.000 0.814 85 A HN 0.606 nan 8.150 nan 0.000 0.446 86 W N 1.062 122.329 121.300 -0.055 0.000 2.358 86 W HA -0.176 4.482 4.660 -0.002 0.000 0.303 86 W C 1.319 177.762 176.519 -0.127 0.000 1.208 86 W CA 1.941 59.257 57.345 -0.048 0.000 1.274 86 W CB -0.473 28.964 29.460 -0.039 0.000 1.138 86 W HN 0.412 nan 8.180 nan 0.000 0.515 87 N N 0.288 118.987 118.700 -0.000 0.000 2.396 87 N HA -0.139 4.600 4.740 -0.002 0.000 0.180 87 N C 1.748 177.059 175.510 -0.331 0.000 1.028 87 N CA 1.948 54.898 53.050 -0.165 0.000 0.893 87 N CB -0.394 38.067 38.487 -0.043 0.000 0.967 87 N HN 0.126 nan 8.380 nan 0.000 0.440 88 S N -1.560 113.996 115.700 -0.239 0.000 2.556 88 S HA 0.100 4.568 4.470 -0.002 0.000 0.216 88 S C -0.133 174.408 174.600 -0.097 0.000 0.970 88 S CA -0.333 57.770 58.200 -0.161 0.000 0.912 88 S CB -0.544 62.614 63.200 -0.071 0.000 0.790 88 S HN 0.391 nan 8.310 nan 0.000 0.504 89 H N 0.881 119.876 119.070 -0.126 0.000 2.791 89 H HA -0.131 4.424 4.556 -0.002 0.000 0.302 89 H C -0.660 174.631 175.328 -0.061 0.000 1.198 89 H CA 0.406 56.368 56.048 -0.144 0.000 1.145 89 H CB -2.150 27.538 29.762 -0.123 0.000 1.385 89 H HN 0.373 nan 8.280 nan 0.000 0.409 90 S N 2.506 118.241 115.700 0.057 0.000 2.481 90 S HA 0.121 4.589 4.470 -0.002 0.000 0.276 90 S C -1.813 172.827 174.600 0.066 0.000 1.247 90 S CA -1.003 57.236 58.200 0.064 0.000 1.053 90 S CB 0.935 64.169 63.200 0.058 0.000 0.925 90 S HN 0.213 nan 8.310 nan 0.000 0.491 91 P HA 0.191 nan 4.420 nan 0.000 0.263 91 P C -1.057 176.292 177.300 0.082 0.000 1.601 91 P CA 0.006 63.146 63.100 0.067 0.000 1.161 91 P CB -0.177 31.556 31.700 0.055 0.000 1.730 92 L N 4.587 125.863 121.223 0.088 0.000 2.313 92 L HA 0.505 4.843 4.340 -0.002 0.000 0.283 92 L C 0.682 177.606 176.870 0.088 0.000 1.013 92 L CA -0.966 53.923 54.840 0.082 0.000 0.816 92 L CB 1.954 44.053 42.059 0.066 0.000 1.236 92 L HN 0.159 nan 8.230 nan 0.000 0.419 93 I N 4.294 124.904 120.570 0.066 0.000 2.310 93 I HA 0.189 4.358 4.170 -0.002 0.000 0.287 93 I C -0.272 175.757 176.117 -0.147 0.000 1.073 93 I CA -0.520 60.795 61.300 0.024 0.000 1.216 93 I CB 1.209 39.268 38.000 0.099 0.000 1.415 93 I HN 0.249 nan 8.210 nan 0.000 0.480 94 V N 5.312 125.198 119.914 -0.047 0.000 2.368 94 V HA 0.261 4.379 4.120 -0.002 0.000 0.266 94 V C 0.617 176.600 176.094 -0.184 0.000 1.045 94 V CA -0.337 61.924 62.300 -0.065 0.000 0.899 94 V CB 1.043 32.959 31.823 0.155 0.000 1.006 94 V HN 0.793 nan 8.190 nan 0.000 0.470 95 T N 2.354 116.714 114.554 -0.322 0.000 2.823 95 T HA 0.863 5.212 4.350 -0.002 0.000 0.279 95 T C -0.416 174.151 174.700 -0.221 0.000 0.998 95 T CA -0.540 61.360 62.100 -0.334 0.000 0.994 95 T CB 1.962 70.631 68.868 -0.331 0.000 0.960 95 T HN 0.942 nan 8.240 nan 0.000 0.448 96 A N 2.021 124.686 122.820 -0.258 0.000 2.393 96 A HA 0.863 5.181 4.320 -0.002 0.000 0.306 96 A C 0.381 177.950 177.584 -0.025 0.000 1.050 96 A CA -0.733 51.255 52.037 -0.082 0.000 0.724 96 A CB 1.247 20.243 19.000 -0.008 0.000 1.248 96 A HN 1.335 nan 8.150 nan 0.000 0.424 97 G N 0.647 109.500 108.800 0.088 0.000 2.378 97 G HA2 0.462 4.420 3.960 -0.002 0.000 0.255 97 G HA3 0.462 4.420 3.960 -0.002 0.000 0.255 97 G C -0.115 174.844 174.900 0.098 0.000 1.270 97 G CA 0.028 45.230 45.100 0.169 0.000 0.876 97 G HN 0.843 nan 8.290 nan 0.000 0.521 98 Q N 0.663 120.529 119.800 0.110 0.000 2.204 98 Q HA 0.339 4.678 4.340 -0.002 0.000 0.254 98 Q C 0.340 176.420 176.000 0.134 0.000 0.981 98 Q CA -0.633 55.203 55.803 0.054 0.000 0.897 98 Q CB 0.999 29.723 28.738 -0.024 0.000 1.273 98 Q HN 0.502 nan 8.270 nan 0.000 0.464 99 Q N 0.244 120.090 119.800 0.078 0.000 2.492 99 Q HA 0.102 4.440 4.340 -0.002 0.000 0.238 99 Q C -0.561 175.343 176.000 -0.160 0.000 1.045 99 Q CA 0.204 56.065 55.803 0.096 0.000 0.934 99 Q CB 0.814 29.585 28.738 0.056 0.000 1.276 99 Q HN 0.837 nan 8.270 nan 0.000 0.521 100 T N 0.664 114.930 114.554 -0.480 0.000 2.928 100 T HA 0.034 4.382 4.350 -0.002 0.000 0.305 100 T C 1.283 175.811 174.700 -0.286 0.000 1.035 100 T CA 0.072 61.767 62.100 -0.675 0.000 1.145 100 T CB 0.342 68.731 68.868 -0.799 0.000 0.963 100 T HN 0.509 nan 8.240 nan 0.000 0.545 101 R N 3.222 123.582 120.500 -0.233 0.000 2.185 101 R HA -0.159 4.180 4.340 -0.002 0.000 0.247 101 R C 2.501 178.737 176.300 -0.107 0.000 1.159 101 R CA 1.525 57.538 56.100 -0.144 0.000 0.988 101 R CB -0.521 29.704 30.300 -0.126 0.000 0.871 101 R HN 0.757 nan 8.270 nan 0.000 0.458 102 A N 0.178 122.932 122.820 -0.110 0.000 2.121 102 A HA -0.043 4.276 4.320 -0.002 0.000 0.218 102 A C 1.734 179.289 177.584 -0.050 0.000 1.154 102 A CA 1.010 53.006 52.037 -0.068 0.000 0.679 102 A CB -0.021 18.945 19.000 -0.056 0.000 0.795 102 A HN 0.195 nan 8.150 nan 0.000 0.458 103 M N -1.231 118.334 119.600 -0.058 0.000 2.347 103 M HA 0.314 4.793 4.480 -0.002 0.000 0.302 103 M C 0.914 177.199 176.300 -0.025 0.000 1.051 103 M CA 0.122 55.406 55.300 -0.027 0.000 0.988 103 M CB 0.239 32.838 32.600 -0.001 0.000 1.475 103 M HN 0.300 nan 8.290 nan 0.000 0.530 104 I N 0.228 120.772 120.570 -0.043 0.000 2.439 104 I HA -0.110 4.059 4.170 -0.002 0.000 0.251 104 I C 2.456 178.555 176.117 -0.030 0.000 1.139 104 I CA 1.259 62.536 61.300 -0.039 0.000 1.438 104 I CB -0.490 37.475 38.000 -0.057 0.000 1.085 104 I HN 0.371 nan 8.210 nan 0.000 0.427 105 G N 1.256 110.038 108.800 -0.030 0.000 2.446 105 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.217 105 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.217 105 G C 1.621 176.511 174.900 -0.016 0.000 1.168 105 G CA 1.323 46.409 45.100 -0.024 0.000 0.771 105 G HN 0.383 nan 8.290 nan 0.000 0.551 106 V N -2.230 117.678 119.914 -0.011 0.000 3.380 106 V HA 0.244 4.362 4.120 -0.002 0.000 0.268 106 V C 0.687 176.780 176.094 -0.002 0.000 1.168 106 V CA 0.924 63.221 62.300 -0.005 0.000 1.156 106 V CB -0.854 30.969 31.823 0.000 0.000 0.785 106 V HN 0.515 nan 8.190 nan 0.000 0.487 107 E N -0.005 120.193 120.200 -0.004 0.000 2.260 107 E HA -0.176 4.172 4.350 -0.002 0.000 0.204 107 E C 0.559 177.164 176.600 0.009 0.000 1.319 107 E CA 0.190 56.589 56.400 -0.001 0.000 0.679 107 E CB -1.360 28.337 29.700 -0.004 0.000 1.158 107 E HN 1.002 nan 8.360 nan 0.000 0.376 108 A N 0.956 123.786 122.820 0.016 0.000 2.406 108 A HA 0.361 4.680 4.320 -0.002 0.000 0.243 108 A C 0.438 178.045 177.584 0.037 0.000 1.082 108 A CA -0.305 51.751 52.037 0.030 0.000 0.786 108 A CB 0.427 19.453 19.000 0.043 0.000 1.029 108 A HN 0.379 nan 8.150 nan 0.000 0.495 109 L N 0.849 122.098 121.223 0.044 0.000 2.543 109 L HA 0.062 4.400 4.340 -0.002 0.000 0.285 109 L C 0.833 177.741 176.870 0.064 0.000 1.236 109 L CA 1.411 56.280 54.840 0.049 0.000 0.871 109 L CB -0.319 41.772 42.059 0.054 0.000 1.121 109 L HN 0.742 nan 8.230 nan 0.000 0.501 110 L N 1.521 122.774 121.223 0.050 0.000 4.885 110 L HA -0.214 4.125 4.340 -0.002 0.000 0.404 110 L C 0.259 177.135 176.870 0.010 0.000 0.970 110 L CA 0.445 55.305 54.840 0.033 0.000 1.426 110 L CB -2.474 39.644 42.059 0.099 0.000 1.934 110 L HN 0.765 nan 8.230 nan 0.000 0.613 111 T N 0.974 115.537 114.554 0.015 0.000 2.814 111 T HA 0.170 4.518 4.350 -0.002 0.000 0.297 111 T C 0.599 175.290 174.700 -0.014 0.000 0.956 111 T CA -0.041 62.060 62.100 0.002 0.000 1.123 111 T CB 1.109 69.977 68.868 0.000 0.000 0.902 111 T HN 0.135 nan 8.240 nan 0.000 0.528 112 N N 3.921 122.609 118.700 -0.020 0.000 2.482 112 N HA 0.125 4.863 4.740 -0.002 0.000 0.242 112 N C -0.496 175.001 175.510 -0.020 0.000 1.100 112 N CA -0.269 52.770 53.050 -0.017 0.000 0.946 112 N CB 0.253 38.740 38.487 -0.000 0.000 1.227 112 N HN 0.281 nan 8.380 nan 0.000 0.508 113 V N 3.348 123.248 119.914 -0.023 0.000 2.572 113 V HA -0.001 4.117 4.120 -0.002 0.000 0.291 113 V C 0.897 176.971 176.094 -0.033 0.000 1.039 113 V CA -0.144 62.139 62.300 -0.028 0.000 1.055 113 V CB 0.609 32.417 31.823 -0.025 0.000 0.969 113 V HN 0.739 nan 8.190 nan 0.000 0.482 114 D N 3.360 123.736 120.400 -0.040 0.000 2.737 114 D HA -0.267 4.371 4.640 -0.002 0.000 0.233 114 D C 1.352 177.625 176.300 -0.045 0.000 1.155 114 D CA 0.995 54.967 54.000 -0.047 0.000 0.667 114 D CB -0.583 40.190 40.800 -0.044 0.000 1.060 114 D HN 0.834 nan 8.370 nan 0.000 0.427 115 A N 0.620 123.422 122.820 -0.030 0.000 1.882 115 A HA -0.164 4.154 4.320 -0.002 0.000 0.220 115 A C 2.575 180.183 177.584 0.040 0.000 1.253 115 A CA 3.519 55.569 52.037 0.022 0.000 0.664 115 A CB -1.287 17.736 19.000 0.038 0.000 0.838 115 A HN 1.038 nan 8.150 nan 0.000 0.460 116 A N -0.809 122.013 122.820 0.003 0.000 2.032 116 A HA -0.230 4.089 4.320 -0.002 0.000 0.221 116 A C 1.846 179.386 177.584 -0.074 0.000 1.165 116 A CA 1.977 54.008 52.037 -0.010 0.000 0.645 116 A CB -0.663 18.286 19.000 -0.086 0.000 0.807 116 A HN 0.618 nan 8.150 nan 0.000 0.453 117 N N -0.653 117.997 118.700 -0.082 0.000 2.409 117 N HA -0.046 4.692 4.740 -0.002 0.000 0.179 117 N C 1.475 176.902 175.510 -0.138 0.000 1.032 117 N CA 0.824 53.815 53.050 -0.099 0.000 0.898 117 N CB -0.315 38.127 38.487 -0.075 0.000 0.971 117 N HN 0.438 nan 8.380 nan 0.000 0.441 118 L N 2.760 123.884 121.223 -0.165 0.000 1.970 118 L HA -0.058 4.281 4.340 -0.002 0.000 0.212 118 L C -0.888 175.815 176.870 -0.278 0.000 1.071 118 L CA 2.103 56.819 54.840 -0.206 0.000 0.751 118 L CB -1.476 40.457 42.059 -0.209 0.000 0.889 118 L HN 0.106 nan 8.230 nan 0.000 0.432 119 P HA -0.101 nan 4.420 nan 0.000 0.233 119 P C 0.034 177.184 177.300 -0.250 0.000 1.167 119 P CA 0.495 63.362 63.100 -0.388 0.000 0.770 119 P CB -0.099 31.234 31.700 -0.611 0.000 0.837 120 R N 1.939 122.311 120.500 -0.213 0.000 2.590 120 R HA 0.124 4.463 4.340 -0.002 0.000 0.274 120 R C -1.340 174.842 176.300 -0.196 0.000 1.061 120 R CA -0.861 55.129 56.100 -0.184 0.000 1.081 120 R CB -0.120 30.098 30.300 -0.137 0.000 0.984 120 R HN 0.134 nan 8.270 nan 0.000 0.448 121 P HA 0.098 nan 4.420 nan 0.000 0.254 121 P C -0.022 176.934 177.300 -0.574 0.000 1.620 121 P CA 0.290 63.188 63.100 -0.336 0.000 1.050 121 P CB 0.286 31.798 31.700 -0.314 0.000 1.539 122 L N 0.061 121.032 121.223 -0.420 0.000 2.653 122 L HA 0.181 4.519 4.340 -0.002 0.000 0.232 122 L C 0.755 177.581 176.870 -0.074 0.000 1.169 122 L CA -0.251 54.337 54.840 -0.421 0.000 0.951 122 L CB 0.175 42.108 42.059 -0.211 0.000 1.181 122 L HN -0.081 nan 8.230 nan 0.000 0.460 123 V N -5.334 114.569 119.914 -0.019 0.000 3.007 123 V HA 0.372 4.490 4.120 -0.002 0.000 0.311 123 V C 0.636 177.008 176.094 0.463 0.000 1.120 123 V CA -1.055 61.425 62.300 0.301 0.000 0.980 123 V CB 2.154 34.082 31.823 0.175 0.000 1.033 123 V HN 0.032 nan 8.190 nan 0.000 0.429 124 K N 0.921 121.649 120.400 0.547 0.000 2.148 124 K HA 0.068 4.387 4.320 -0.002 0.000 0.204 124 K C -0.209 176.653 176.600 0.436 0.000 1.050 124 K CA 1.744 58.312 56.287 0.469 0.000 0.942 124 K CB 0.152 32.829 32.500 0.295 0.000 0.724 124 K HN 0.746 nan 8.250 nan 0.000 0.446 125 W N -0.051 121.351 121.300 0.169 0.000 3.425 125 W HA 0.311 4.970 4.660 -0.002 0.000 0.318 125 W C -1.640 174.977 176.519 0.164 0.000 1.201 125 W CA -0.683 56.739 57.345 0.129 0.000 1.212 125 W CB 1.911 31.421 29.460 0.083 0.000 1.355 125 W HN -0.356 nan 8.180 nan 0.000 0.515 126 S N 5.264 120.721 115.700 -0.405 0.000 2.614 126 S HA 0.758 5.227 4.470 -0.002 0.000 0.288 126 S C -2.060 172.194 174.600 -0.578 0.000 1.137 126 S CA -0.306 57.709 58.200 -0.308 0.000 0.992 126 S CB 0.723 63.878 63.200 -0.075 0.000 1.026 126 S HN 0.510 nan 8.310 nan 0.000 0.486 127 Y N 2.250 122.105 120.300 -0.742 0.000 2.624 127 Y HA 0.572 5.120 4.550 -0.002 0.000 0.334 127 Y C -1.514 174.160 175.900 -0.377 0.000 1.155 127 Y CA -0.699 57.000 58.100 -0.669 0.000 1.046 127 Y CB 1.567 39.320 38.460 -1.179 0.000 1.316 127 Y HN 0.688 nan 8.280 nan 0.000 0.457 128 E N 5.285 124.915 120.200 -0.949 0.000 2.265 128 E HA 0.489 4.837 4.350 -0.002 0.000 0.262 128 E C -2.955 173.105 176.600 -0.900 0.000 0.889 128 E CA -2.401 53.607 56.400 -0.654 0.000 0.789 128 E CB 1.933 31.393 29.700 -0.400 0.000 1.221 128 E HN 0.308 nan 8.360 nan 0.000 0.414 129 P HA 0.038 nan 4.420 nan 0.000 0.267 129 P C -0.264 176.927 177.300 -0.182 0.000 1.200 129 P CA 0.154 63.149 63.100 -0.176 0.000 0.772 129 P CB 1.010 32.704 31.700 -0.010 0.000 0.855 130 A N 1.519 124.295 122.820 -0.072 0.000 2.208 130 A HA 0.263 4.581 4.320 -0.002 0.000 0.209 130 A C 0.569 178.127 177.584 -0.044 0.000 1.161 130 A CA 0.981 52.982 52.037 -0.061 0.000 0.782 130 A CB -0.512 18.484 19.000 -0.006 0.000 0.816 130 A HN 0.609 nan 8.150 nan 0.000 0.477 131 S N -3.921 111.757 115.700 -0.036 0.000 2.567 131 S HA 0.591 5.060 4.470 -0.002 0.000 0.270 131 S C 0.616 175.183 174.600 -0.054 0.000 1.152 131 S CA -0.012 58.164 58.200 -0.039 0.000 0.835 131 S CB 0.950 64.145 63.200 -0.008 0.000 1.115 131 S HN 0.989 nan 8.310 nan 0.000 0.459 132 A N 1.710 124.488 122.820 -0.070 0.000 1.908 132 A HA 0.236 4.555 4.320 -0.002 0.000 0.218 132 A C 2.308 179.863 177.584 -0.049 0.000 1.181 132 A CA 2.134 54.112 52.037 -0.097 0.000 0.627 132 A CB -1.603 17.349 19.000 -0.080 0.000 0.818 132 A HN 1.815 nan 8.150 nan 0.000 0.445 133 A N -0.807 122.010 122.820 -0.005 0.000 2.125 133 A HA -0.159 4.160 4.320 -0.002 0.000 0.219 133 A C 1.929 179.543 177.584 0.050 0.000 1.156 133 A CA 1.640 53.693 52.037 0.028 0.000 0.671 133 A CB -0.428 18.590 19.000 0.031 0.000 0.794 133 A HN 0.678 nan 8.150 nan 0.000 0.459 134 E N -0.174 120.059 120.200 0.054 0.000 2.371 134 E HA -0.020 4.329 4.350 -0.002 0.000 0.194 134 E C 1.640 178.315 176.600 0.125 0.000 1.012 134 E CA 0.610 57.082 56.400 0.121 0.000 0.860 134 E CB -0.030 29.758 29.700 0.145 0.000 0.811 134 E HN 0.371 nan 8.360 nan 0.000 0.502 135 V N 1.801 121.734 119.914 0.031 0.000 2.250 135 V HA -0.250 3.869 4.120 -0.002 0.000 0.250 135 V C -0.697 175.452 176.094 0.091 0.000 1.060 135 V CA 2.352 64.645 62.300 -0.013 0.000 1.030 135 V CB -1.523 30.163 31.823 -0.228 0.000 0.643 135 V HN 0.288 nan 8.190 nan 0.000 0.445 136 P HA -0.196 nan 4.420 nan 0.000 0.215 136 P C 1.710 179.133 177.300 0.206 0.000 1.153 136 P CA 1.805 65.014 63.100 0.181 0.000 0.853 136 P CB -0.199 31.605 31.700 0.173 0.000 0.788 137 H N -0.564 118.552 119.070 0.076 0.000 2.321 137 H HA -0.086 4.469 4.556 -0.002 0.000 0.300 137 H C 1.802 177.181 175.328 0.085 0.000 1.087 137 H CA 1.225 57.308 56.048 0.058 0.000 1.319 137 H CB -0.138 29.647 29.762 0.038 0.000 1.379 137 H HN -0.016 nan 8.280 nan 0.000 0.501 138 A N 0.955 123.826 122.820 0.085 0.000 1.933 138 A HA -0.208 4.111 4.320 -0.002 0.000 0.218 138 A C 2.382 180.081 177.584 0.192 0.000 1.175 138 A CA 1.746 53.863 52.037 0.133 0.000 0.628 138 A CB -0.652 18.533 19.000 0.308 0.000 0.814 138 A HN 0.514 nan 8.150 nan 0.000 0.444 139 M N -0.190 119.517 119.600 0.179 0.000 2.159 139 M HA -0.076 4.402 4.480 -0.002 0.000 0.263 139 M C 2.275 178.653 176.300 0.130 0.000 1.063 139 M CA 2.050 57.465 55.300 0.192 0.000 1.110 139 M CB -0.572 32.153 32.600 0.209 0.000 1.374 139 M HN 0.393 nan 8.290 nan 0.000 0.411 140 S N -0.161 115.606 115.700 0.112 0.000 2.370 140 S HA -0.172 4.297 4.470 -0.002 0.000 0.226 140 S C 2.043 176.657 174.600 0.023 0.000 1.033 140 S CA 1.608 59.865 58.200 0.094 0.000 1.011 140 S CB -0.187 63.135 63.200 0.203 0.000 0.852 140 S HN 0.622 nan 8.310 nan 0.000 0.457 141 R N 0.767 121.199 120.500 -0.113 0.000 2.081 141 R HA -0.011 4.328 4.340 -0.002 0.000 0.235 141 R C 2.700 178.762 176.300 -0.397 0.000 1.131 141 R CA 1.339 57.193 56.100 -0.411 0.000 0.960 141 R CB -0.684 29.084 30.300 -0.887 0.000 0.856 141 R HN 0.500 nan 8.270 nan 0.000 0.436 142 A N 1.519 124.287 122.820 -0.087 0.000 1.865 142 A HA -0.178 4.141 4.320 -0.002 0.000 0.217 142 A C 2.202 179.820 177.584 0.056 0.000 1.191 142 A CA 1.416 53.560 52.037 0.178 0.000 0.623 142 A CB -0.618 18.581 19.000 0.332 0.000 0.826 142 A HN 0.194 nan 8.150 nan 0.000 0.444 143 I N -1.044 119.514 120.570 -0.020 0.000 2.151 143 I HA -0.302 3.866 4.170 -0.002 0.000 0.243 143 I C 2.496 178.489 176.117 -0.207 0.000 1.080 143 I CA 1.601 62.827 61.300 -0.124 0.000 1.339 143 I CB -0.617 37.224 38.000 -0.266 0.000 1.039 143 I HN 0.428 nan 8.210 nan 0.000 0.409 144 H N -0.291 118.754 119.070 -0.042 0.000 2.395 144 H HA -0.007 4.547 4.556 -0.002 0.000 0.299 144 H C 2.324 177.596 175.328 -0.093 0.000 1.070 144 H CA 1.053 57.055 56.048 -0.078 0.000 1.356 144 H CB -0.121 29.576 29.762 -0.107 0.000 1.401 144 H HN 0.251 nan 8.280 nan 0.000 0.524 145 M N 0.385 119.963 119.600 -0.037 0.000 2.213 145 M HA -0.043 4.436 4.480 -0.002 0.000 0.263 145 M C 2.402 178.720 176.300 0.028 0.000 1.062 145 M CA 0.873 56.139 55.300 -0.056 0.000 1.105 145 M CB -0.835 31.681 32.600 -0.140 0.000 1.385 145 M HN 0.216 nan 8.290 nan 0.000 0.417 146 A N -1.100 121.750 122.820 0.051 0.000 1.970 146 A HA -0.019 4.299 4.320 -0.002 0.000 0.216 146 A C 2.385 179.990 177.584 0.036 0.000 1.170 146 A CA 1.555 53.632 52.037 0.067 0.000 0.645 146 A CB -0.427 18.627 19.000 0.089 0.000 0.816 146 A HN 0.460 nan 8.150 nan 0.000 0.447 147 S N -0.331 115.382 115.700 0.023 0.000 2.425 147 S HA 0.170 4.638 4.470 -0.002 0.000 0.225 147 S C 0.898 175.500 174.600 0.003 0.000 1.024 147 S CA 0.198 58.407 58.200 0.016 0.000 0.951 147 S CB -0.251 62.958 63.200 0.015 0.000 0.796 147 S HN 0.537 nan 8.310 nan 0.000 0.498 148 M N 1.759 121.360 119.600 0.002 0.000 2.243 148 M HA 0.280 4.758 4.480 -0.002 0.000 0.341 148 M C 0.303 176.571 176.300 -0.053 0.000 1.130 148 M CA -0.381 54.906 55.300 -0.021 0.000 1.162 148 M CB 0.273 32.858 32.600 -0.026 0.000 1.497 148 M HN 0.142 nan 8.290 nan 0.000 0.456 149 A N 4.539 127.318 122.820 -0.069 0.000 2.440 149 A HA 0.429 4.748 4.320 -0.002 0.000 0.251 149 A C -2.225 175.283 177.584 -0.127 0.000 1.089 149 A CA -1.121 50.844 52.037 -0.119 0.000 0.779 149 A CB -0.684 18.252 19.000 -0.106 0.000 1.022 149 A HN 0.528 nan 8.150 nan 0.000 0.492 150 P HA 0.178 nan 4.420 nan 0.000 0.287 150 P C -0.657 176.494 177.300 -0.248 0.000 1.281 150 P CA -0.260 62.628 63.100 -0.352 0.000 0.781 150 P CB 0.809 32.201 31.700 -0.514 0.000 0.903 151 Q N 1.123 120.804 119.800 -0.198 0.000 2.432 151 Q HA 0.496 4.834 4.340 -0.002 0.000 0.264 151 Q C 0.686 176.669 176.000 -0.028 0.000 1.035 151 Q CA 0.394 56.156 55.803 -0.068 0.000 0.908 151 Q CB 0.408 29.135 28.738 -0.018 0.000 1.280 151 Q HN 0.740 nan 8.270 nan 0.000 0.455 152 G N 1.090 109.896 108.800 0.009 0.000 2.451 152 G HA2 0.336 4.295 3.960 -0.002 0.000 0.292 152 G HA3 0.336 4.295 3.960 -0.002 0.000 0.292 152 G C -3.081 171.882 174.900 0.104 0.000 1.427 152 G CA -0.882 44.230 45.100 0.020 0.000 0.792 152 G HN 0.387 nan 8.290 nan 0.000 0.498 153 P HA 0.471 nan 4.420 nan 0.000 0.278 153 P C -0.109 177.335 177.300 0.241 0.000 1.238 153 P CA -0.189 63.024 63.100 0.188 0.000 0.794 153 P CB 1.715 33.529 31.700 0.190 0.000 0.955 154 V N 0.731 120.784 119.914 0.231 0.000 3.001 154 V HA 0.625 4.744 4.120 -0.002 0.000 0.314 154 V C -1.462 174.801 176.094 0.282 0.000 1.099 154 V CA -1.098 61.382 62.300 0.300 0.000 0.989 154 V CB 2.149 34.193 31.823 0.368 0.000 1.040 154 V HN 0.490 nan 8.190 nan 0.000 0.434 155 Y N 2.840 123.184 120.300 0.075 0.000 2.391 155 Y HA 0.828 5.377 4.550 -0.002 0.000 0.341 155 Y C -1.205 174.646 175.900 -0.083 0.000 0.965 155 Y CA -1.221 56.867 58.100 -0.021 0.000 1.067 155 Y CB 2.022 40.447 38.460 -0.058 0.000 1.199 155 Y HN 0.896 nan 8.280 nan 0.000 0.450 156 L N 5.333 126.256 121.223 -0.501 0.000 2.406 156 L HA 0.608 4.947 4.340 -0.002 0.000 0.272 156 L C -1.140 175.378 176.870 -0.586 0.000 0.980 156 L CA -0.190 54.414 54.840 -0.393 0.000 0.831 156 L CB 1.934 43.938 42.059 -0.091 0.000 1.253 156 L HN 0.561 nan 8.230 nan 0.000 0.406 157 S N 4.152 119.559 115.700 -0.488 0.000 2.442 157 S HA 0.842 5.310 4.470 -0.002 0.000 0.297 157 S C -1.050 173.418 174.600 -0.220 0.000 1.131 157 S CA -0.447 57.534 58.200 -0.365 0.000 1.092 157 S CB 0.919 63.965 63.200 -0.258 0.000 0.998 157 S HN 0.468 nan 8.310 nan 0.000 0.478 158 V N 7.389 127.220 119.914 -0.138 0.000 2.443 158 V HA 0.425 4.543 4.120 -0.002 0.000 0.293 158 V C -2.489 173.559 176.094 -0.076 0.000 1.021 158 V CA -2.069 60.141 62.300 -0.151 0.000 0.848 158 V CB 1.596 33.299 31.823 -0.200 0.000 0.998 158 V HN 0.715 nan 8.190 nan 0.000 0.424 159 P HA 0.009 nan 4.420 nan 0.000 0.264 159 P C 0.311 177.589 177.300 -0.037 0.000 1.193 159 P CA 0.062 63.100 63.100 -0.104 0.000 0.763 159 P CB 0.180 31.774 31.700 -0.177 0.000 0.810 160 Y N 2.758 123.119 120.300 0.102 0.000 2.483 160 Y HA -0.142 4.406 4.550 -0.002 0.000 0.291 160 Y C 1.260 177.295 175.900 0.225 0.000 1.143 160 Y CA 1.141 59.398 58.100 0.262 0.000 1.289 160 Y CB -1.120 37.506 38.460 0.276 0.000 0.983 160 Y HN 0.289 nan 8.280 nan 0.000 0.556 161 D N -0.887 119.456 120.400 -0.095 0.000 2.340 161 D HA -0.088 4.551 4.640 -0.002 0.000 0.220 161 D C 0.537 176.834 176.300 -0.005 0.000 1.039 161 D CA 0.438 54.429 54.000 -0.015 0.000 0.866 161 D CB -0.218 40.472 40.800 -0.184 0.000 0.913 161 D HN 0.351 nan 8.370 nan 0.000 0.523 162 D N 0.578 120.905 120.400 -0.122 0.000 2.162 162 D HA -0.054 4.585 4.640 -0.002 0.000 0.203 162 D C 1.643 177.876 176.300 -0.113 0.000 0.967 162 D CA 0.568 54.439 54.000 -0.215 0.000 0.840 162 D CB -0.517 40.017 40.800 -0.445 0.000 0.972 162 D HN 0.367 nan 8.370 nan 0.000 0.482 163 W N 1.629 123.042 121.300 0.187 0.000 2.321 163 W HA -0.154 4.505 4.660 -0.002 0.000 0.306 163 W C 1.752 178.404 176.519 0.223 0.000 1.217 163 W CA 0.670 58.170 57.345 0.258 0.000 1.257 163 W CB -0.228 29.451 29.460 0.365 0.000 1.145 163 W HN -0.075 nan 8.180 nan 0.000 0.509 164 D N -0.188 120.431 120.400 0.365 0.000 2.317 164 D HA -0.045 4.594 4.640 -0.002 0.000 0.211 164 D C 0.979 177.377 176.300 0.163 0.000 0.966 164 D CA 0.831 54.970 54.000 0.233 0.000 0.876 164 D CB -0.255 40.652 40.800 0.178 0.000 0.927 164 D HN -0.041 nan 8.370 nan 0.000 0.519 165 K N 1.622 122.102 120.400 0.134 0.000 2.276 165 K HA 0.063 4.381 4.320 -0.002 0.000 0.259 165 K C 0.144 176.805 176.600 0.102 0.000 1.001 165 K CA -0.220 56.120 56.287 0.087 0.000 0.927 165 K CB 0.465 32.990 32.500 0.042 0.000 0.969 165 K HN -0.020 nan 8.250 nan 0.000 0.490 166 D N 0.533 120.981 120.400 0.080 0.000 2.414 166 D HA 0.147 4.786 4.640 -0.002 0.000 0.242 166 D C -0.056 176.297 176.300 0.087 0.000 1.129 166 D CA 0.172 54.223 54.000 0.086 0.000 0.885 166 D CB 0.840 41.680 40.800 0.066 0.000 1.198 166 D HN 0.447 nan 8.370 nan 0.000 0.437 167 A N 1.761 124.645 122.820 0.107 0.000 2.293 167 A HA 0.214 4.533 4.320 -0.002 0.000 0.302 167 A C 0.109 177.742 177.584 0.082 0.000 1.119 167 A CA -0.641 51.460 52.037 0.106 0.000 0.823 167 A CB 0.694 19.784 19.000 0.149 0.000 1.097 167 A HN 0.458 nan 8.150 nan 0.000 0.491 168 D N 1.514 121.952 120.400 0.063 0.000 2.383 168 D HA 0.213 4.852 4.640 -0.002 0.000 0.252 168 D C -1.620 174.710 176.300 0.051 0.000 1.166 168 D CA -1.601 52.427 54.000 0.045 0.000 0.879 168 D CB 1.066 41.880 40.800 0.023 0.000 1.164 168 D HN 0.104 nan 8.370 nan 0.000 0.462 169 P HA -0.147 nan 4.420 nan 0.000 0.217 169 P C 1.001 178.372 177.300 0.119 0.000 1.148 169 P CA 0.967 64.124 63.100 0.095 0.000 0.828 169 P CB 0.238 31.989 31.700 0.085 0.000 0.783 170 Q N -0.897 118.937 119.800 0.056 0.000 2.541 170 Q HA -0.005 4.334 4.340 -0.002 0.000 0.215 170 Q C 1.879 177.777 176.000 -0.169 0.000 0.977 170 Q CA 0.839 56.641 55.803 -0.002 0.000 0.934 170 Q CB -0.808 27.945 28.738 0.024 0.000 0.988 170 Q HN 0.282 nan 8.270 nan 0.000 0.521 171 S N 0.405 116.017 115.700 -0.146 0.000 2.447 171 S HA -0.128 4.341 4.470 -0.002 0.000 0.233 171 S C 1.587 175.825 174.600 -0.603 0.000 1.006 171 S CA 0.846 58.899 58.200 -0.244 0.000 0.957 171 S CB -0.338 62.801 63.200 -0.102 0.000 0.773 171 S HN 0.631 nan 8.310 nan 0.000 0.507 172 H N 0.591 119.274 119.070 -0.645 0.000 2.457 172 H HA -0.088 4.466 4.556 -0.002 0.000 0.297 172 H C 1.287 176.160 175.328 -0.759 0.000 1.092 172 H CA 1.431 56.822 56.048 -1.094 0.000 1.309 172 H CB -0.716 28.790 29.762 -0.427 0.000 1.382 172 H HN 0.489 nan 8.280 nan 0.000 0.535 173 H N 0.767 119.306 119.070 -0.886 0.000 2.543 173 H HA 0.018 4.573 4.556 -0.002 0.000 0.286 173 H C 2.311 177.479 175.328 -0.268 0.000 1.037 173 H CA 0.897 56.645 56.048 -0.499 0.000 1.250 173 H CB 0.331 29.819 29.762 -0.456 0.000 1.373 173 H HN 0.424 nan 8.280 nan 0.000 0.580 174 L N -0.873 120.210 121.223 -0.232 0.000 2.202 174 L HA -0.066 4.273 4.340 -0.002 0.000 0.205 174 L C 2.105 179.051 176.870 0.127 0.000 1.083 174 L CA 0.099 54.917 54.840 -0.036 0.000 0.790 174 L CB -0.404 41.645 42.059 -0.017 0.000 0.942 174 L HN 0.012 nan 8.230 nan 0.000 0.452 175 F N 1.052 121.067 119.950 0.107 0.000 2.048 175 F HA -0.322 4.204 4.527 -0.002 0.000 0.296 175 F C 1.796 177.664 175.800 0.112 0.000 1.109 175 F CA 1.304 59.369 58.000 0.109 0.000 1.214 175 F CB -0.893 38.170 39.000 0.105 0.000 0.963 175 F HN 0.187 nan 8.300 nan 0.000 0.491 176 D N -0.188 120.399 120.400 0.311 0.000 2.463 176 D HA 0.067 4.706 4.640 -0.002 0.000 0.224 176 D C 0.309 176.726 176.300 0.194 0.000 1.174 176 D CA -0.073 54.062 54.000 0.226 0.000 0.829 176 D CB -0.058 40.859 40.800 0.194 0.000 0.993 176 D HN 0.161 nan 8.370 nan 0.000 0.497 177 R N 1.090 121.703 120.500 0.188 0.000 2.522 177 R HA 0.052 4.391 4.340 -0.002 0.000 0.284 177 R C 0.266 176.651 176.300 0.143 0.000 1.032 177 R CA 0.302 56.477 56.100 0.125 0.000 1.049 177 R CB 0.563 30.901 30.300 0.064 0.000 0.956 177 R HN 0.149 nan 8.270 nan 0.000 0.422 178 H N 3.276 122.357 119.070 0.018 0.000 2.708 178 H HA 0.259 4.813 4.556 -0.002 0.000 0.320 178 H C -1.294 174.004 175.328 -0.050 0.000 0.991 178 H CA -0.586 55.478 56.048 0.027 0.000 1.243 178 H CB 0.995 30.779 29.762 0.037 0.000 1.446 178 H HN 0.214 nan 8.280 nan 0.000 0.502 179 V N 4.320 124.150 119.914 -0.141 0.000 2.435 179 V HA 0.287 4.405 4.120 -0.002 0.000 0.290 179 V C 0.367 176.464 176.094 0.006 0.000 1.030 179 V CA -0.546 61.697 62.300 -0.095 0.000 0.881 179 V CB 1.471 33.132 31.823 -0.270 0.000 0.983 179 V HN 0.759 nan 8.190 nan 0.000 0.445 180 S N 2.640 118.389 115.700 0.081 0.000 2.513 180 S HA 0.620 5.088 4.470 -0.002 0.000 0.299 180 S C 0.350 174.969 174.600 0.030 0.000 1.087 180 S CA 0.093 58.350 58.200 0.094 0.000 1.012 180 S CB 1.890 65.179 63.200 0.147 0.000 1.044 180 S HN 0.989 nan 8.310 nan 0.000 0.485 181 S N 1.815 117.527 115.700 0.020 0.000 2.952 181 S HA 0.205 4.673 4.470 -0.002 0.000 0.251 181 S C 0.202 174.801 174.600 -0.002 0.000 1.021 181 S CA -0.329 57.869 58.200 -0.004 0.000 1.067 181 S CB 0.199 63.386 63.200 -0.022 0.000 1.002 181 S HN 0.546 nan 8.310 nan 0.000 0.574 182 S N 2.794 118.503 115.700 0.015 0.000 4.120 182 S HA 0.424 4.892 4.470 -0.002 0.000 0.215 182 S C 0.302 174.905 174.600 0.004 0.000 1.347 182 S CA -0.231 57.977 58.200 0.012 0.000 0.889 182 S CB -1.256 61.961 63.200 0.028 0.000 1.585 182 S HN 0.717 nan 8.310 nan 0.000 0.447 183 V N 2.592 122.503 119.914 -0.005 0.000 3.019 183 V HA 0.997 5.115 4.120 -0.002 0.000 0.317 183 V C -0.675 175.413 176.094 -0.010 0.000 1.094 183 V CA -1.359 60.937 62.300 -0.008 0.000 1.000 183 V CB 1.870 33.685 31.823 -0.012 0.000 1.060 183 V HN 0.725 nan 8.190 nan 0.000 0.443 184 R N 1.811 122.306 120.500 -0.009 0.000 2.739 184 R HA 0.731 5.070 4.340 -0.002 0.000 0.271 184 R C -1.025 175.269 176.300 -0.009 0.000 1.010 184 R CA -0.974 55.120 56.100 -0.009 0.000 0.897 184 R CB 0.611 30.907 30.300 -0.005 0.000 1.236 184 R HN 0.857 nan 8.270 nan 0.000 0.466 185 L N 2.078 123.296 121.223 -0.009 0.000 2.573 185 L HA 0.086 4.425 4.340 -0.002 0.000 0.290 185 L C -0.365 176.501 176.870 -0.007 0.000 1.247 185 L CA 0.680 55.515 54.840 -0.009 0.000 0.876 185 L CB -0.181 41.873 42.059 -0.009 0.000 1.123 185 L HN 0.940 nan 8.230 nan 0.000 0.505 186 N N 1.973 120.669 118.700 -0.008 0.000 2.381 186 N HA -0.030 4.709 4.740 -0.002 0.000 0.241 186 N C 0.456 175.964 175.510 -0.005 0.000 1.279 186 N CA 0.092 53.138 53.050 -0.006 0.000 0.896 186 N CB 0.237 38.720 38.487 -0.007 0.000 1.118 186 N HN 0.600 nan 8.380 nan 0.000 0.438 187 D N -0.114 120.284 120.400 -0.004 0.000 2.127 187 D HA -0.284 4.355 4.640 -0.002 0.000 0.190 187 D C 1.571 177.869 176.300 -0.002 0.000 1.000 187 D CA 1.630 55.628 54.000 -0.003 0.000 0.839 187 D CB -0.488 40.311 40.800 -0.002 0.000 0.955 187 D HN 0.829 nan 8.370 nan 0.000 0.446 188 Q N 0.333 120.131 119.800 -0.003 0.000 2.045 188 Q HA -0.200 4.138 4.340 -0.002 0.000 0.206 188 Q C 1.334 177.332 176.000 -0.002 0.000 0.991 188 Q CA 1.882 57.684 55.803 -0.002 0.000 0.851 188 Q CB 0.030 28.766 28.738 -0.003 0.000 0.911 188 Q HN 0.151 nan 8.270 nan 0.000 0.418 189 D N 0.256 120.654 120.400 -0.004 0.000 2.178 189 D HA -0.126 4.513 4.640 -0.002 0.000 0.202 189 D C 1.841 178.140 176.300 -0.003 0.000 0.974 189 D CA 0.501 54.499 54.000 -0.004 0.000 0.841 189 D CB -0.142 40.654 40.800 -0.006 0.000 0.953 189 D HN 0.230 nan 8.370 nan 0.000 0.478 190 L N 1.105 122.327 121.223 -0.003 0.000 2.056 190 L HA -0.119 4.220 4.340 -0.002 0.000 0.207 190 L C 1.381 178.251 176.870 0.001 0.000 1.078 190 L CA 1.774 56.613 54.840 -0.001 0.000 0.749 190 L CB -0.435 41.623 42.059 -0.001 0.000 0.901 190 L HN -0.154 nan 8.230 nan 0.000 0.433 191 D N -0.306 120.094 120.400 0.001 0.000 2.117 191 D HA -0.180 4.459 4.640 -0.002 0.000 0.197 191 D C 2.345 178.647 176.300 0.003 0.000 0.987 191 D CA 1.717 55.718 54.000 0.002 0.000 0.829 191 D CB -0.059 40.742 40.800 0.002 0.000 0.961 191 D HN 0.434 nan 8.370 nan 0.000 0.460 192 I N 0.581 121.152 120.570 0.001 0.000 2.208 192 I HA -0.256 3.913 4.170 -0.002 0.000 0.245 192 I C 2.407 178.525 176.117 0.002 0.000 1.097 192 I CA 0.536 61.837 61.300 0.001 0.000 1.363 192 I CB -0.156 37.844 38.000 -0.000 0.000 1.051 192 I HN 0.023 nan 8.210 nan 0.000 0.413 193 L N 0.635 121.858 121.223 0.001 0.000 2.017 193 L HA -0.139 4.199 4.340 -0.002 0.000 0.208 193 L C 2.426 179.299 176.870 0.006 0.000 1.073 193 L CA 1.790 56.631 54.840 0.002 0.000 0.745 193 L CB -0.582 41.477 42.059 0.000 0.000 0.894 193 L HN -0.034 nan 8.230 nan 0.000 0.432 194 V N -0.005 119.913 119.914 0.006 0.000 2.332 194 V HA -0.334 3.785 4.120 -0.002 0.000 0.248 194 V C 2.629 178.729 176.094 0.010 0.000 1.055 194 V CA 2.191 64.496 62.300 0.008 0.000 1.038 194 V CB -0.812 31.016 31.823 0.008 0.000 0.651 194 V HN 0.474 nan 8.190 nan 0.000 0.450 195 K N 0.139 120.544 120.400 0.008 0.000 2.097 195 K HA -0.119 4.200 4.320 -0.002 0.000 0.206 195 K C 2.331 178.937 176.600 0.010 0.000 1.049 195 K CA 1.418 57.710 56.287 0.009 0.000 0.933 195 K CB -0.414 32.090 32.500 0.007 0.000 0.717 195 K HN 0.487 nan 8.250 nan 0.000 0.442 196 A N 1.498 124.324 122.820 0.010 0.000 1.902 196 A HA -0.136 4.182 4.320 -0.002 0.000 0.217 196 A C 2.116 179.709 177.584 0.016 0.000 1.181 196 A CA 1.257 53.301 52.037 0.012 0.000 0.623 196 A CB -0.594 18.412 19.000 0.009 0.000 0.818 196 A HN 0.150 nan 8.150 nan 0.000 0.443 197 L N -0.480 120.753 121.223 0.016 0.000 2.056 197 L HA -0.169 4.170 4.340 -0.002 0.000 0.207 197 L C 2.182 179.064 176.870 0.022 0.000 1.078 197 L CA 1.155 56.007 54.840 0.020 0.000 0.749 197 L CB -0.665 41.405 42.059 0.018 0.000 0.901 197 L HN 0.329 nan 8.230 nan 0.000 0.433 198 N N -0.361 118.350 118.700 0.018 0.000 2.289 198 N HA -0.122 4.616 4.740 -0.002 0.000 0.184 198 N C 1.919 177.440 175.510 0.019 0.000 1.016 198 N CA 1.274 54.335 53.050 0.018 0.000 0.872 198 N CB -0.111 38.385 38.487 0.015 0.000 0.973 198 N HN 0.179 nan 8.380 nan 0.000 0.433 199 S N 0.104 115.814 115.700 0.018 0.000 2.501 199 S HA 0.214 4.682 4.470 -0.002 0.000 0.220 199 S C 0.850 175.463 174.600 0.021 0.000 0.997 199 S CA -0.208 58.002 58.200 0.017 0.000 0.919 199 S CB 0.046 63.254 63.200 0.014 0.000 0.778 199 S HN 0.426 nan 8.310 nan 0.000 0.523 200 A N 2.228 125.064 122.820 0.026 0.000 2.566 200 A HA 0.231 4.549 4.320 -0.002 0.000 0.245 200 A C 1.408 179.013 177.584 0.036 0.000 1.056 200 A CA 0.290 52.348 52.037 0.035 0.000 0.757 200 A CB 0.086 19.112 19.000 0.044 0.000 0.979 200 A HN 0.441 nan 8.150 nan 0.000 0.508 201 S N 1.511 117.231 115.700 0.033 0.000 2.446 201 S HA -0.014 4.455 4.470 -0.002 0.000 0.225 201 S C 0.724 175.345 174.600 0.036 0.000 1.016 201 S CA 0.909 59.124 58.200 0.026 0.000 0.943 201 S CB -0.119 63.090 63.200 0.014 0.000 0.786 201 S HN 0.829 nan 8.310 nan 0.000 0.508 202 N N 1.928 120.662 118.700 0.057 0.000 2.697 202 N HA 0.354 5.093 4.740 -0.002 0.000 0.253 202 N C -3.212 172.439 175.510 0.234 0.000 1.604 202 N CA -1.705 51.402 53.050 0.095 0.000 0.772 202 N CB 1.308 39.789 38.487 -0.009 0.000 1.267 202 N HN 0.128 nan 8.380 nan 0.000 0.510 203 P HA 0.333 nan 4.420 nan 0.000 0.272 203 P C -1.019 176.347 177.300 0.110 0.000 1.230 203 P CA -0.292 62.892 63.100 0.139 0.000 0.788 203 P CB 1.455 33.197 31.700 0.071 0.000 0.949 204 A N 2.238 125.041 122.820 -0.028 0.000 2.486 204 A HA 0.731 5.049 4.320 -0.002 0.000 0.300 204 A C -0.836 176.707 177.584 -0.069 0.000 1.048 204 A CA -0.770 51.157 52.037 -0.183 0.000 0.696 204 A CB 1.109 19.786 19.000 -0.538 0.000 1.278 204 A HN 0.430 nan 8.150 nan 0.000 0.405 205 I N 1.613 122.151 120.570 -0.053 0.000 2.465 205 I HA 0.506 4.674 4.170 -0.002 0.000 0.291 205 I C -0.947 175.167 176.117 -0.005 0.000 1.014 205 I CA -1.000 60.274 61.300 -0.043 0.000 1.093 205 I CB 2.158 40.098 38.000 -0.099 0.000 1.267 205 I HN 0.315 nan 8.210 nan 0.000 0.431 206 V N 7.084 127.007 119.914 0.015 0.000 2.444 206 V HA 0.463 4.582 4.120 -0.002 0.000 0.294 206 V C -0.164 175.945 176.094 0.025 0.000 1.022 206 V CA -0.507 61.812 62.300 0.032 0.000 0.850 206 V CB 1.794 33.651 31.823 0.055 0.000 0.992 206 V HN 0.470 nan 8.190 nan 0.000 0.426 207 L N 4.093 125.320 121.223 0.006 0.000 2.325 207 L HA 0.867 5.206 4.340 -0.002 0.000 0.278 207 L C 0.775 177.677 176.870 0.053 0.000 1.023 207 L CA -0.289 54.571 54.840 0.033 0.000 0.811 207 L CB 1.837 43.919 42.059 0.039 0.000 1.249 207 L HN 0.741 nan 8.230 nan 0.000 0.431 208 G N 0.932 109.773 108.800 0.069 0.000 2.667 208 G HA2 0.500 4.459 3.960 -0.002 0.000 0.310 208 G HA3 0.500 4.459 3.960 -0.002 0.000 0.310 208 G C -1.985 172.975 174.900 0.101 0.000 1.259 208 G CA -1.016 44.130 45.100 0.077 0.000 1.019 208 G HN 0.421 nan 8.290 nan 0.000 0.496 209 P HA -0.123 nan 4.420 nan 0.000 0.216 209 P C 0.670 178.045 177.300 0.125 0.000 1.150 209 P CA 1.167 64.345 63.100 0.131 0.000 0.837 209 P CB 0.251 32.026 31.700 0.126 0.000 0.786 210 D N -0.359 120.116 120.400 0.124 0.000 2.309 210 D HA -0.076 4.563 4.640 -0.002 0.000 0.212 210 D C 2.026 178.373 176.300 0.079 0.000 0.968 210 D CA 0.662 54.728 54.000 0.110 0.000 0.882 210 D CB -0.252 40.608 40.800 0.099 0.000 0.918 210 D HN 0.093 nan 8.370 nan 0.000 0.503 211 V N 1.035 120.998 119.914 0.082 0.000 2.307 211 V HA -0.226 3.893 4.120 -0.002 0.000 0.245 211 V C 2.192 178.332 176.094 0.077 0.000 1.045 211 V CA 1.813 64.159 62.300 0.076 0.000 1.024 211 V CB -0.339 31.539 31.823 0.092 0.000 0.651 211 V HN 0.066 nan 8.190 nan 0.000 0.449 212 D N 0.075 120.528 120.400 0.089 0.000 2.144 212 D HA -0.109 4.530 4.640 -0.002 0.000 0.200 212 D C 2.090 178.438 176.300 0.081 0.000 0.978 212 D CA 1.343 55.390 54.000 0.078 0.000 0.833 212 D CB -0.103 40.742 40.800 0.075 0.000 0.961 212 D HN 0.360 nan 8.370 nan 0.000 0.470 213 A N 0.313 123.189 122.820 0.095 0.000 1.933 213 A HA 0.056 4.374 4.320 -0.002 0.000 0.218 213 A C 2.235 179.855 177.584 0.061 0.000 1.175 213 A CA 1.875 53.968 52.037 0.093 0.000 0.628 213 A CB -0.781 18.280 19.000 0.101 0.000 0.814 213 A HN 0.299 nan 8.150 nan 0.000 0.444 214 A N -1.252 121.598 122.820 0.050 0.000 2.251 214 A HA 0.245 4.563 4.320 -0.002 0.000 0.209 214 A C 0.928 178.532 177.584 0.032 0.000 1.187 214 A CA 0.831 52.888 52.037 0.034 0.000 0.823 214 A CB -0.624 18.392 19.000 0.026 0.000 0.846 214 A HN 0.824 nan 8.150 nan 0.000 0.486 215 N N -2.218 116.505 118.700 0.038 0.000 2.740 215 N HA -0.227 4.512 4.740 -0.002 0.000 0.248 215 N C 0.414 175.939 175.510 0.025 0.000 1.062 215 N CA 1.025 54.092 53.050 0.029 0.000 0.704 215 N CB -1.358 37.142 38.487 0.022 0.000 0.968 215 N HN 0.549 nan 8.380 nan 0.000 0.547 216 A N -0.696 122.145 122.820 0.034 0.000 2.379 216 A HA 0.214 4.533 4.320 -0.002 0.000 0.236 216 A C 1.638 179.248 177.584 0.044 0.000 1.272 216 A CA 0.436 52.494 52.037 0.035 0.000 0.886 216 A CB -0.082 18.942 19.000 0.040 0.000 0.962 216 A HN 0.532 nan 8.150 nan 0.000 0.504 217 N N 1.885 120.606 118.700 0.036 0.000 2.018 217 N HA -0.212 4.526 4.740 -0.002 0.000 0.196 217 N C 1.902 177.399 175.510 -0.021 0.000 1.043 217 N CA 2.051 55.116 53.050 0.024 0.000 0.856 217 N CB -0.527 37.949 38.487 -0.019 0.000 1.042 217 N HN 0.449 nan 8.380 nan 0.000 0.423 218 A N 1.186 123.983 122.820 -0.038 0.000 1.873 218 A HA -0.217 4.102 4.320 -0.002 0.000 0.218 218 A C 1.786 179.361 177.584 -0.015 0.000 1.193 218 A CA 2.037 54.044 52.037 -0.050 0.000 0.629 218 A CB -0.814 18.166 19.000 -0.033 0.000 0.826 218 A HN 0.204 nan 8.150 nan 0.000 0.447 219 D N -0.661 119.745 120.400 0.011 0.000 2.149 219 D HA -0.126 4.512 4.640 -0.002 0.000 0.198 219 D C 2.001 178.335 176.300 0.056 0.000 0.990 219 D CA 1.373 55.390 54.000 0.028 0.000 0.839 219 D CB -0.538 40.279 40.800 0.027 0.000 0.948 219 D HN 0.462 nan 8.370 nan 0.000 0.460 220 C N 0.057 119.411 119.300 0.089 0.000 2.435 220 C HA -0.035 4.424 4.460 -0.002 0.000 0.279 220 C C 2.908 178.058 174.990 0.266 0.000 1.321 220 C CA -0.010 59.108 59.018 0.166 0.000 1.752 220 C CB -0.695 27.182 27.740 0.228 0.000 1.959 220 C HN 0.168 nan 8.230 nan 0.000 0.500 221 V N 1.014 121.017 119.914 0.149 0.000 2.295 221 V HA -0.313 3.806 4.120 -0.002 0.000 0.246 221 V C 2.383 178.519 176.094 0.071 0.000 1.049 221 V CA 2.449 64.745 62.300 -0.008 0.000 1.024 221 V CB -0.674 30.973 31.823 -0.293 0.000 0.648 221 V HN 0.628 nan 8.190 nan 0.000 0.447 222 M N -0.268 119.364 119.600 0.054 0.000 2.065 222 M HA -0.201 4.277 4.480 -0.002 0.000 0.259 222 M C 2.076 178.418 176.300 0.070 0.000 1.069 222 M CA 2.164 57.500 55.300 0.059 0.000 1.110 222 M CB -0.435 32.188 32.600 0.039 0.000 1.328 222 M HN 0.289 nan 8.290 nan 0.000 0.405 223 L N 0.885 122.149 121.223 0.068 0.000 2.043 223 L HA -0.150 4.189 4.340 -0.002 0.000 0.212 223 L C 2.429 179.335 176.870 0.059 0.000 1.075 223 L CA 2.413 57.287 54.840 0.057 0.000 0.752 223 L CB -1.157 40.932 42.059 0.050 0.000 0.891 223 L HN 0.438 nan 8.230 nan 0.000 0.432 224 A N -0.981 121.887 122.820 0.080 0.000 1.930 224 A HA -0.199 4.119 4.320 -0.002 0.000 0.217 224 A C 2.136 179.775 177.584 0.092 0.000 1.175 224 A CA 1.716 53.788 52.037 0.059 0.000 0.627 224 A CB -0.571 18.461 19.000 0.053 0.000 0.815 224 A HN 0.645 nan 8.150 nan 0.000 0.443 225 E N -0.519 119.757 120.200 0.127 0.000 2.107 225 E HA -0.141 4.207 4.350 -0.002 0.000 0.191 225 E C 2.265 178.917 176.600 0.088 0.000 0.982 225 E CA 0.694 57.179 56.400 0.141 0.000 0.809 225 E CB -0.139 29.659 29.700 0.164 0.000 0.756 225 E HN 0.413 nan 8.360 nan 0.000 0.459 226 R N 0.775 121.316 120.500 0.069 0.000 2.070 226 R HA -0.069 4.269 4.340 -0.002 0.000 0.233 226 R C 2.353 178.681 176.300 0.046 0.000 1.137 226 R CA 0.957 57.087 56.100 0.050 0.000 0.945 226 R CB -0.775 29.550 30.300 0.041 0.000 0.845 226 R HN 0.247 nan 8.270 nan 0.000 0.430 227 L N 1.466 122.716 121.223 0.045 0.000 2.552 227 L HA 0.029 4.367 4.340 -0.002 0.000 0.227 227 L C 0.150 177.048 176.870 0.046 0.000 1.146 227 L CA 0.195 55.059 54.840 0.040 0.000 0.858 227 L CB -0.224 41.855 42.059 0.034 0.000 0.969 227 L HN 0.071 nan 8.230 nan 0.000 0.451 228 K N -0.192 120.242 120.400 0.056 0.000 3.077 228 K HA -0.181 4.137 4.320 -0.002 0.000 0.264 228 K C -0.016 176.617 176.600 0.055 0.000 1.008 228 K CA 0.877 57.201 56.287 0.061 0.000 0.740 228 K CB -1.914 30.616 32.500 0.051 0.000 1.273 228 K HN 0.364 nan 8.250 nan 0.000 0.477 229 A N 0.936 123.780 122.820 0.040 0.000 2.337 229 A HA 0.732 5.051 4.320 -0.002 0.000 0.331 229 A C -2.210 175.346 177.584 -0.047 0.000 1.137 229 A CA -1.468 50.578 52.037 0.015 0.000 0.807 229 A CB 1.196 20.198 19.000 0.004 0.000 1.250 229 A HN -0.009 nan 8.150 nan 0.000 0.468 230 P HA 0.342 nan 4.420 nan 0.000 0.275 230 P C -0.831 176.255 177.300 -0.357 0.000 1.228 230 P CA -0.034 62.923 63.100 -0.238 0.000 0.786 230 P CB 1.147 32.706 31.700 -0.234 0.000 0.927 231 V N 2.969 122.552 119.914 -0.551 0.000 2.487 231 V HA 0.369 4.488 4.120 -0.002 0.000 0.298 231 V C -0.548 175.130 176.094 -0.694 0.000 1.028 231 V CA -0.280 61.670 62.300 -0.582 0.000 0.860 231 V CB 1.225 32.482 31.823 -0.944 0.000 0.991 231 V HN 0.591 nan 8.190 nan 0.000 0.427 232 W N 2.585 123.651 121.300 -0.391 0.000 2.719 232 W HA 0.754 5.413 4.660 -0.001 0.000 0.352 232 W C -0.554 175.783 176.519 -0.303 0.000 1.085 232 W CA -0.908 56.181 57.345 -0.426 0.000 1.187 232 W CB 1.524 30.747 29.460 -0.394 0.000 1.417 232 W HN 0.275 nan 8.180 nan 0.000 0.557 233 V N 2.862 122.729 119.914 -0.077 0.000 2.427 233 V HA 0.584 4.703 4.120 -0.002 0.000 0.286 233 V C 0.550 176.529 176.094 -0.192 0.000 1.034 233 V CA -1.269 60.959 62.300 -0.119 0.000 0.893 233 V CB 0.452 32.094 31.823 -0.301 0.000 0.982 233 V HN 0.691 nan 8.190 nan 0.000 0.452 234 A N 8.467 131.213 122.820 -0.123 0.000 2.520 234 A HA 0.368 4.687 4.320 -0.002 0.000 0.235 234 A C -1.800 175.663 177.584 -0.201 0.000 1.065 234 A CA -0.659 51.286 52.037 -0.153 0.000 0.764 234 A CB -0.419 18.576 19.000 -0.008 0.000 1.002 234 A HN 0.706 nan 8.150 nan 0.000 0.502 235 P HA 0.031 nan 4.420 nan 0.000 0.267 235 P C 0.033 177.272 177.300 -0.102 0.000 1.201 235 P CA 0.729 63.710 63.100 -0.199 0.000 0.775 235 P CB 0.479 32.066 31.700 -0.188 0.000 0.854 236 S N -1.415 114.233 115.700 -0.085 0.000 3.587 236 S HA -0.181 4.287 4.470 -0.002 0.000 0.337 236 S C 0.673 175.317 174.600 0.072 0.000 1.119 236 S CA 0.715 58.919 58.200 0.008 0.000 0.976 236 S CB -2.216 61.036 63.200 0.086 0.000 0.922 236 S HN 0.975 nan 8.310 nan 0.000 0.503 237 A N 0.785 123.607 122.820 0.003 0.000 2.563 237 A HA 0.310 4.628 4.320 -0.002 0.000 0.256 237 A C -0.605 177.238 177.584 0.432 0.000 1.056 237 A CA -0.179 51.956 52.037 0.164 0.000 0.775 237 A CB 0.076 19.129 19.000 0.088 0.000 0.973 237 A HN 0.318 nan 8.150 nan 0.000 0.516 238 P HA 0.080 nan 4.420 nan 0.000 0.239 238 P C 0.193 177.718 177.300 0.375 0.000 1.188 238 P CA 0.765 64.091 63.100 0.377 0.000 0.794 238 P CB 0.373 32.181 31.700 0.180 0.000 0.937 239 R N -2.676 118.059 120.500 0.392 0.000 2.781 239 R HA 0.544 4.883 4.340 -0.002 0.000 0.269 239 R C -1.459 175.096 176.300 0.424 0.000 1.025 239 R CA -0.798 55.477 56.100 0.292 0.000 0.914 239 R CB 1.047 31.409 30.300 0.104 0.000 1.236 239 R HN -0.155 nan 8.270 nan 0.000 0.465 240 C N 2.948 122.415 119.300 0.279 0.000 2.264 240 C HA 0.525 4.984 4.460 -0.002 0.000 0.324 240 C C -1.696 173.397 174.990 0.172 0.000 1.267 240 C CA -1.886 57.312 59.018 0.300 0.000 1.618 240 C CB 0.697 28.461 27.740 0.040 0.000 2.278 240 C HN 0.627 nan 8.230 nan 0.000 0.499 241 P HA 0.221 nan 4.420 nan 0.000 0.268 241 P C -0.327 177.119 177.300 0.243 0.000 1.329 241 P CA 0.234 63.441 63.100 0.178 0.000 0.899 241 P CB 0.122 31.927 31.700 0.175 0.000 1.378 242 F N 1.700 121.619 119.950 -0.050 0.000 2.665 242 F HA 0.452 4.977 4.527 -0.002 0.000 0.308 242 F C -2.613 173.011 175.800 -0.293 0.000 1.112 242 F CA -2.299 55.616 58.000 -0.141 0.000 0.972 242 F CB 2.157 41.103 39.000 -0.090 0.000 1.295 242 F HN -0.335 nan 8.300 nan 0.000 0.440 243 P HA 0.079 nan 4.420 nan 0.000 0.270 243 P C 0.465 177.521 177.300 -0.406 0.000 1.242 243 P CA 0.138 63.023 63.100 -0.358 0.000 0.768 243 P CB 0.749 32.258 31.700 -0.318 0.000 0.820 244 T N 0.936 115.179 114.554 -0.518 0.000 3.077 244 T HA -0.072 4.277 4.350 -0.002 0.000 0.269 244 T C 1.138 175.774 174.700 -0.107 0.000 1.146 244 T CA 0.728 62.403 62.100 -0.708 0.000 1.091 244 T CB -0.358 68.305 68.868 -0.341 0.000 0.892 244 T HN 0.239 nan 8.240 nan 0.000 0.533 245 R N 0.202 120.678 120.500 -0.040 0.000 2.508 245 R HA 0.205 4.544 4.340 -0.002 0.000 0.300 245 R C 0.273 176.630 176.300 0.094 0.000 0.970 245 R CA -0.349 55.785 56.100 0.058 0.000 1.102 245 R CB -0.315 29.988 30.300 0.005 0.000 1.246 245 R HN 0.597 nan 8.270 nan 0.000 0.539 246 H N 3.415 122.505 119.070 0.034 0.000 2.815 246 H HA 0.063 4.618 4.556 -0.002 0.000 0.350 246 H C -1.379 174.034 175.328 0.142 0.000 1.080 246 H CA -1.208 54.876 56.048 0.059 0.000 1.433 246 H CB 1.589 31.369 29.762 0.031 0.000 1.432 246 H HN -0.129 nan 8.280 nan 0.000 0.592 247 P HA -0.178 nan 4.420 nan 0.000 0.217 247 P C 1.388 178.826 177.300 0.230 0.000 1.148 247 P CA 1.257 64.387 63.100 0.050 0.000 0.834 247 P CB -0.062 31.580 31.700 -0.096 0.000 0.783 248 C N -2.262 117.385 119.300 0.579 0.000 2.464 248 C HA 0.120 4.578 4.460 -0.002 0.000 0.278 248 C C 1.499 176.533 174.990 0.074 0.000 1.375 248 C CA -0.624 58.559 59.018 0.275 0.000 1.761 248 C CB -1.896 25.984 27.740 0.234 0.000 1.944 248 C HN 0.108 nan 8.230 nan 0.000 0.509 249 F N 2.310 122.307 119.950 0.079 0.000 2.623 249 F HA 0.079 4.605 4.527 -0.002 0.000 0.383 249 F C 1.291 176.908 175.800 -0.306 0.000 1.077 249 F CA 0.560 58.492 58.000 -0.113 0.000 1.268 249 F CB 0.450 39.523 39.000 0.123 0.000 1.053 249 F HN 0.051 nan 8.300 nan 0.000 0.571 250 R N 3.861 123.605 120.500 -1.260 0.000 2.565 250 R HA 0.302 4.641 4.340 -0.002 0.000 0.347 250 R C 0.618 176.133 176.300 -1.308 0.000 1.010 250 R CA 0.349 55.629 56.100 -1.366 0.000 1.126 250 R CB -0.007 28.988 30.300 -2.176 0.000 1.331 250 R HN 0.972 nan 8.270 nan 0.000 0.552 251 G N 1.337 109.026 108.800 -1.852 0.000 2.725 251 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.220 251 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.220 251 G C -0.877 173.645 174.900 -0.630 0.000 1.357 251 G CA -0.492 43.970 45.100 -1.064 0.000 0.866 251 G HN 0.203 nan 8.290 nan 0.000 0.548 252 L N 0.746 121.669 121.223 -0.501 0.000 2.319 252 L HA 0.685 5.024 4.340 -0.002 0.000 0.280 252 L C 1.095 177.769 176.870 -0.328 0.000 1.099 252 L CA -0.174 54.291 54.840 -0.624 0.000 0.828 252 L CB 0.516 41.944 42.059 -1.052 0.000 1.150 252 L HN 0.600 nan 8.230 nan 0.000 0.442 253 M N 7.820 127.243 119.600 -0.295 0.000 2.228 253 M HA 0.274 4.752 4.480 -0.002 0.000 0.351 253 M C -1.992 174.143 176.300 -0.274 0.000 1.233 253 M CA -1.515 53.600 55.300 -0.307 0.000 1.129 253 M CB 0.473 32.801 32.600 -0.454 0.000 1.604 253 M HN 0.492 nan 8.290 nan 0.000 0.457 254 P HA 0.100 nan 4.420 nan 0.000 0.275 254 P C -0.697 176.541 177.300 -0.103 0.000 1.227 254 P CA -0.208 62.806 63.100 -0.144 0.000 0.781 254 P CB 0.577 32.211 31.700 -0.110 0.000 0.906 255 A N 2.998 125.800 122.820 -0.030 0.000 2.900 255 A HA 0.415 4.733 4.320 -0.002 0.000 0.246 255 A C 0.940 178.645 177.584 0.203 0.000 1.725 255 A CA 0.130 52.222 52.037 0.091 0.000 1.400 255 A CB -1.435 17.658 19.000 0.154 0.000 0.973 255 A HN 0.640 nan 8.150 nan 0.000 0.635 256 G N -0.818 108.067 108.800 0.142 0.000 2.566 256 G HA2 0.490 4.449 3.960 -0.002 0.000 0.311 256 G HA3 0.490 4.449 3.960 -0.002 0.000 0.311 256 G C 0.652 175.538 174.900 -0.023 0.000 1.322 256 G CA -0.646 44.478 45.100 0.040 0.000 0.969 256 G HN 0.180 nan 8.290 nan 0.000 0.490 257 I N 1.639 121.977 120.570 -0.386 0.000 2.099 257 I HA -0.255 3.914 4.170 -0.002 0.000 0.239 257 I C 3.083 179.089 176.117 -0.184 0.000 1.066 257 I CA 1.848 62.869 61.300 -0.464 0.000 1.324 257 I CB -0.130 37.467 38.000 -0.673 0.000 1.037 257 I HN 0.558 nan 8.210 nan 0.000 0.401 258 A N 0.733 123.420 122.820 -0.222 0.000 1.877 258 A HA -0.193 4.126 4.320 -0.002 0.000 0.216 258 A C 2.562 180.070 177.584 -0.126 0.000 1.186 258 A CA 1.994 53.932 52.037 -0.166 0.000 0.620 258 A CB -1.026 17.868 19.000 -0.177 0.000 0.822 258 A HN 0.454 nan 8.150 nan 0.000 0.443 259 A N -0.122 122.624 122.820 -0.124 0.000 1.917 259 A HA -0.174 4.144 4.320 -0.002 0.000 0.219 259 A C 2.152 179.627 177.584 -0.180 0.000 1.182 259 A CA 1.797 53.756 52.037 -0.131 0.000 0.633 259 A CB -0.647 18.283 19.000 -0.116 0.000 0.819 259 A HN 0.532 nan 8.150 nan 0.000 0.448 260 I N 0.360 120.829 120.570 -0.169 0.000 2.286 260 I HA -0.203 3.965 4.170 -0.002 0.000 0.245 260 I C 2.820 178.820 176.117 -0.195 0.000 1.104 260 I CA 1.464 62.607 61.300 -0.262 0.000 1.397 260 I CB -0.290 37.553 38.000 -0.262 0.000 1.072 260 I HN 0.522 nan 8.210 nan 0.000 0.417 261 S N 0.167 115.822 115.700 -0.075 0.000 2.423 261 S HA -0.244 4.225 4.470 -0.002 0.000 0.231 261 S C 1.897 176.456 174.600 -0.068 0.000 1.014 261 S CA 0.991 59.172 58.200 -0.032 0.000 0.965 261 S CB -0.301 62.900 63.200 0.002 0.000 0.785 261 S HN 0.347 nan 8.310 nan 0.000 0.495 262 Q N 1.086 120.825 119.800 -0.101 0.000 2.046 262 Q HA 0.109 4.447 4.340 -0.002 0.000 0.200 262 Q C 1.971 177.906 176.000 -0.109 0.000 0.975 262 Q CA 1.197 56.945 55.803 -0.091 0.000 0.836 262 Q CB -0.814 27.867 28.738 -0.095 0.000 0.896 262 Q HN 0.458 nan 8.270 nan 0.000 0.428 263 L N -0.151 120.946 121.223 -0.209 0.000 2.042 263 L HA -0.128 4.211 4.340 -0.002 0.000 0.210 263 L C 1.991 178.743 176.870 -0.196 0.000 1.076 263 L CA 1.643 56.292 54.840 -0.318 0.000 0.749 263 L CB -0.583 41.033 42.059 -0.739 0.000 0.893 263 L HN 0.313 nan 8.230 nan 0.000 0.432 264 L N -1.075 120.040 121.223 -0.181 0.000 2.554 264 L HA -0.017 4.322 4.340 -0.002 0.000 0.226 264 L C 1.009 177.955 176.870 0.126 0.000 1.137 264 L CA -0.177 54.655 54.840 -0.013 0.000 0.863 264 L CB -0.405 41.613 42.059 -0.068 0.000 0.985 264 L HN 0.260 nan 8.230 nan 0.000 0.451 265 E N 0.534 120.761 120.200 0.045 0.000 2.452 265 E HA 0.116 4.465 4.350 -0.002 0.000 0.261 265 E C 1.126 177.721 176.600 -0.007 0.000 0.987 265 E CA 0.847 57.260 56.400 0.021 0.000 0.926 265 E CB 0.408 30.102 29.700 -0.010 0.000 0.934 265 E HN 0.294 nan 8.360 nan 0.000 0.452 266 G N 4.084 112.858 108.800 -0.043 0.000 2.234 266 G HA2 -0.219 3.739 3.960 -0.002 0.000 0.235 266 G HA3 -0.219 3.739 3.960 -0.002 0.000 0.235 266 G C -0.107 174.658 174.900 -0.224 0.000 0.997 266 G CA 0.041 45.056 45.100 -0.143 0.000 0.623 266 G HN 0.710 nan 8.290 nan 0.000 0.514 267 H N 1.880 120.959 119.070 0.016 0.000 2.594 267 H HA 0.258 4.812 4.556 -0.002 0.000 0.304 267 H C 1.199 176.538 175.328 0.019 0.000 1.068 267 H CA 0.261 56.323 56.048 0.024 0.000 1.308 267 H CB 1.430 31.213 29.762 0.035 0.000 1.409 267 H HN 0.475 nan 8.280 nan 0.000 0.460 268 D N 2.460 122.920 120.400 0.101 0.000 2.144 268 D HA -0.088 4.551 4.640 -0.002 0.000 0.200 268 D C 0.485 176.828 176.300 0.071 0.000 0.978 268 D CA 0.592 54.631 54.000 0.065 0.000 0.833 268 D CB 0.361 41.185 40.800 0.040 0.000 0.961 268 D HN 0.111 nan 8.370 nan 0.000 0.470 269 V N 1.130 121.097 119.914 0.088 0.000 2.525 269 V HA 0.294 4.413 4.120 -0.002 0.000 0.299 269 V C -0.495 175.637 176.094 0.062 0.000 1.034 269 V CA -0.976 61.362 62.300 0.063 0.000 0.863 269 V CB 2.476 34.326 31.823 0.046 0.000 0.999 269 V HN -0.068 nan 8.190 nan 0.000 0.423 270 V N 6.105 126.047 119.914 0.047 0.000 2.357 270 V HA 0.442 4.560 4.120 -0.002 0.000 0.284 270 V C -0.379 175.730 176.094 0.025 0.000 1.018 270 V CA -0.563 61.755 62.300 0.031 0.000 0.841 270 V CB 1.608 33.458 31.823 0.045 0.000 0.991 270 V HN 0.656 nan 8.190 nan 0.000 0.437 271 L N 7.508 128.740 121.223 0.015 0.000 2.257 271 L HA 0.602 4.940 4.340 -0.002 0.000 0.290 271 L C -0.323 176.559 176.870 0.019 0.000 1.044 271 L CA 0.242 55.089 54.840 0.011 0.000 0.810 271 L CB 1.385 43.448 42.059 0.006 0.000 1.193 271 L HN 0.439 nan 8.230 nan 0.000 0.425 272 V N 6.911 126.838 119.914 0.020 0.000 2.398 272 V HA 0.497 4.616 4.120 -0.002 0.000 0.286 272 V C 0.153 176.256 176.094 0.016 0.000 1.026 272 V CA -0.425 61.898 62.300 0.039 0.000 0.868 272 V CB 1.448 33.299 31.823 0.047 0.000 0.982 272 V HN 0.597 nan 8.190 nan 0.000 0.443 273 I N 3.191 123.777 120.570 0.026 0.000 2.498 273 I HA 0.580 4.749 4.170 -0.002 0.000 0.290 273 I C 1.006 177.143 176.117 0.034 0.000 1.032 273 I CA -0.588 60.725 61.300 0.022 0.000 1.073 273 I CB 1.839 39.854 38.000 0.024 0.000 1.251 273 I HN 0.827 nan 8.210 nan 0.000 0.426 274 G N 4.547 113.363 108.800 0.026 0.000 2.323 274 G HA2 -0.016 3.942 3.960 -0.002 0.000 0.292 274 G HA3 -0.016 3.942 3.960 -0.002 0.000 0.292 274 G C -0.064 174.873 174.900 0.062 0.000 1.040 274 G CA 0.449 45.575 45.100 0.042 0.000 0.942 274 G HN 1.090 nan 8.290 nan 0.000 0.506 275 A N -0.873 121.975 122.820 0.047 0.000 2.594 275 A HA 0.924 5.243 4.320 -0.002 0.000 0.295 275 A C -2.950 174.643 177.584 0.014 0.000 1.071 275 A CA -1.313 50.755 52.037 0.052 0.000 0.685 275 A CB 1.742 20.788 19.000 0.076 0.000 1.285 275 A HN 0.104 nan 8.150 nan 0.000 0.405 276 P HA 0.410 nan 4.420 nan 0.000 0.277 276 P C -0.770 176.447 177.300 -0.138 0.000 1.240 276 P CA -0.261 62.806 63.100 -0.055 0.000 0.798 276 P CB 1.038 32.715 31.700 -0.038 0.000 0.979 277 V N 3.721 123.445 119.914 -0.317 0.000 2.257 277 V HA 0.394 4.512 4.120 -0.002 0.000 0.269 277 V C -0.454 175.290 176.094 -0.583 0.000 1.040 277 V CA 0.057 61.884 62.300 -0.790 0.000 0.813 277 V CB -1.191 30.135 31.823 -0.828 0.000 1.065 277 V HN 0.459 nan 8.190 nan 0.000 0.457 278 F N 1.986 121.681 119.950 -0.425 0.000 2.599 278 F HA 0.562 5.087 4.527 -0.003 0.000 0.311 278 F C 0.469 175.895 175.800 -0.623 0.000 1.076 278 F CA -1.305 56.348 58.000 -0.579 0.000 0.937 278 F CB 2.177 40.661 39.000 -0.860 0.000 1.282 278 F HN 0.150 nan 8.300 nan 0.000 0.460 279 R N 2.414 122.824 120.500 -0.150 0.000 3.688 279 R HA 0.190 4.529 4.340 -0.002 0.000 0.194 279 R C -1.272 174.992 176.300 -0.061 0.000 1.677 279 R CA 0.023 56.071 56.100 -0.087 0.000 1.351 279 R CB -1.139 29.148 30.300 -0.022 0.000 1.338 279 R HN 0.430 nan 8.270 nan 0.000 0.731 280 Y N 0.575 120.952 120.300 0.129 0.000 2.335 280 Y HA 0.012 4.561 4.550 -0.001 0.000 0.348 280 Y C 1.566 177.550 175.900 0.141 0.000 1.280 280 Y CA 0.218 58.393 58.100 0.124 0.000 1.504 280 Y CB 0.443 38.990 38.460 0.146 0.000 1.366 280 Y HN 0.488 nan 8.280 nan 0.000 0.621 281 H N -0.388 118.809 119.070 0.211 0.000 3.539 281 H HA 0.073 4.627 4.556 -0.003 0.000 0.134 281 H C -0.104 175.266 175.328 0.069 0.000 1.139 281 H CA 0.408 56.518 56.048 0.103 0.000 1.031 281 H CB -0.035 29.760 29.762 0.055 0.000 1.174 281 H HN 0.674 nan 8.280 nan 0.000 0.297 282 Q N 1.163 121.060 119.800 0.163 0.000 2.454 282 Q HA -0.048 4.291 4.340 -0.002 0.000 0.247 282 Q C -0.794 175.298 176.000 0.153 0.000 1.028 282 Q CA -0.211 55.617 55.803 0.041 0.000 0.910 282 Q CB 0.460 29.170 28.738 -0.047 0.000 1.276 282 Q HN 0.466 nan 8.270 nan 0.000 0.489 283 Y N 1.628 121.949 120.300 0.035 0.000 2.585 283 Y HA 0.175 4.723 4.550 -0.003 0.000 0.354 283 Y C -0.925 174.968 175.900 -0.011 0.000 1.024 283 Y CA -0.760 57.351 58.100 0.019 0.000 1.321 283 Y CB 0.352 38.842 38.460 0.050 0.000 1.151 283 Y HN 0.722 nan 8.280 nan 0.000 0.525 284 D N 8.982 129.149 120.400 -0.389 0.000 2.607 284 D HA 0.263 4.902 4.640 -0.002 0.000 0.318 284 D C -2.882 173.102 176.300 -0.528 0.000 1.212 284 D CA -2.212 51.558 54.000 -0.384 0.000 0.861 284 D CB 0.637 41.318 40.800 -0.198 0.000 1.064 284 D HN 0.252 nan 8.370 nan 0.000 0.500 285 P HA 0.324 nan 4.420 nan 0.000 0.266 285 P C 0.449 177.522 177.300 -0.379 0.000 1.193 285 P CA 0.398 63.123 63.100 -0.624 0.000 0.770 285 P CB 1.485 32.795 31.700 -0.650 0.000 0.836 286 G N 1.762 110.355 108.800 -0.345 0.000 2.399 286 G HA2 0.093 4.052 3.960 -0.002 0.000 0.256 286 G HA3 0.093 4.052 3.960 -0.002 0.000 0.256 286 G C -1.630 173.095 174.900 -0.292 0.000 1.236 286 G CA -0.650 44.293 45.100 -0.260 0.000 0.914 286 G HN 0.476 nan 8.290 nan 0.000 0.482 287 Q N -0.518 119.158 119.800 -0.207 0.000 2.259 287 Q HA 0.468 4.806 4.340 -0.002 0.000 0.249 287 Q C 0.287 176.213 176.000 -0.123 0.000 0.914 287 Q CA -0.558 55.144 55.803 -0.169 0.000 0.904 287 Q CB 1.792 30.488 28.738 -0.070 0.000 1.213 287 Q HN 0.565 nan 8.270 nan 0.000 0.428 288 Y N 1.091 121.392 120.300 0.001 0.000 2.242 288 Y HA -0.073 4.476 4.550 -0.002 0.000 0.291 288 Y C 0.553 176.502 175.900 0.082 0.000 1.137 288 Y CA 0.541 58.677 58.100 0.061 0.000 1.181 288 Y CB 0.538 39.039 38.460 0.068 0.000 0.989 288 Y HN 0.368 nan 8.280 nan 0.000 0.527 289 L N 0.131 121.472 121.223 0.196 0.000 2.472 289 L HA 0.331 4.670 4.340 -0.002 0.000 0.260 289 L C -0.826 176.082 176.870 0.063 0.000 0.963 289 L CA -1.237 53.675 54.840 0.122 0.000 0.829 289 L CB 1.966 44.095 42.059 0.117 0.000 1.348 289 L HN -0.247 nan 8.230 nan 0.000 0.408 290 K N 1.846 122.268 120.400 0.037 0.000 2.202 290 K HA 0.366 4.684 4.320 -0.002 0.000 0.264 290 K C -2.369 174.243 176.600 0.021 0.000 1.010 290 K CA -1.695 54.602 56.287 0.015 0.000 0.940 290 K CB 0.616 33.117 32.500 0.002 0.000 0.983 290 K HN 0.196 nan 8.250 nan 0.000 0.475 291 P HA -0.018 nan 4.420 nan 0.000 0.265 291 P C 0.625 177.932 177.300 0.012 0.000 1.187 291 P CA 0.855 63.963 63.100 0.013 0.000 0.766 291 P CB 0.414 32.117 31.700 0.005 0.000 0.820 292 G N 1.205 110.014 108.800 0.015 0.000 2.213 292 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.236 292 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.236 292 G C 0.192 175.108 174.900 0.026 0.000 0.991 292 G CA -0.045 45.063 45.100 0.015 0.000 0.629 292 G HN 0.617 nan 8.290 nan 0.000 0.517 293 T N 1.413 115.988 114.554 0.036 0.000 2.771 293 T HA 0.619 4.967 4.350 -0.002 0.000 0.281 293 T C 0.020 174.747 174.700 0.046 0.000 0.982 293 T CA -0.358 61.774 62.100 0.052 0.000 0.978 293 T CB 1.894 70.801 68.868 0.065 0.000 0.930 293 T HN 0.524 nan 8.240 nan 0.000 0.447 294 R N 3.613 124.139 120.500 0.044 0.000 2.562 294 R HA 0.688 5.027 4.340 -0.002 0.000 0.298 294 R C -1.479 174.838 176.300 0.029 0.000 0.961 294 R CA -0.769 55.349 56.100 0.030 0.000 0.881 294 R CB 1.112 31.426 30.300 0.023 0.000 1.159 294 R HN 0.589 nan 8.270 nan 0.000 0.450 295 L N 5.605 126.836 121.223 0.012 0.000 2.346 295 L HA 0.594 4.932 4.340 -0.002 0.000 0.276 295 L C -1.300 175.555 176.870 -0.024 0.000 1.006 295 L CA -0.754 54.086 54.840 -0.001 0.000 0.817 295 L CB 1.614 43.664 42.059 -0.015 0.000 1.272 295 L HN 0.662 nan 8.230 nan 0.000 0.421 296 I N 3.731 124.288 120.570 -0.021 0.000 2.447 296 I HA 0.323 4.492 4.170 -0.002 0.000 0.287 296 I C -0.536 175.557 176.117 -0.039 0.000 1.023 296 I CA -0.333 60.950 61.300 -0.029 0.000 1.083 296 I CB 2.055 40.047 38.000 -0.013 0.000 1.245 296 I HN 0.518 nan 8.210 nan 0.000 0.434 297 S N 5.727 121.392 115.700 -0.059 0.000 2.454 297 S HA 0.638 5.107 4.470 -0.002 0.000 0.306 297 S C -0.794 173.778 174.600 -0.047 0.000 1.100 297 S CA -0.477 57.683 58.200 -0.066 0.000 1.087 297 S CB 1.333 64.464 63.200 -0.115 0.000 1.019 297 S HN 0.326 nan 8.310 nan 0.000 0.480 298 V N 4.874 124.768 119.914 -0.032 0.000 2.313 298 V HA 0.552 4.671 4.120 -0.002 0.000 0.278 298 V C 0.411 176.490 176.094 -0.025 0.000 1.017 298 V CA -0.457 61.828 62.300 -0.025 0.000 0.823 298 V CB 0.959 32.774 31.823 -0.013 0.000 1.010 298 V HN 0.937 nan 8.190 nan 0.000 0.443 299 T N 3.209 117.743 114.554 -0.035 0.000 2.916 299 T HA 0.288 4.637 4.350 -0.002 0.000 0.292 299 T C 0.839 175.506 174.700 -0.055 0.000 1.055 299 T CA -0.103 61.975 62.100 -0.036 0.000 1.009 299 T CB 1.469 70.314 68.868 -0.037 0.000 1.118 299 T HN 0.821 nan 8.240 nan 0.000 0.497 300 C N 1.375 120.624 119.300 -0.084 0.000 2.791 300 C HA 0.492 4.950 4.460 -0.002 0.000 0.270 300 C C 0.379 175.265 174.990 -0.172 0.000 1.257 300 C CA -0.536 58.403 59.018 -0.133 0.000 1.699 300 C CB -1.194 26.436 27.740 -0.184 0.000 1.904 300 C HN 0.737 nan 8.230 nan 0.000 0.603 301 D N 1.189 121.512 120.400 -0.129 0.000 2.471 301 D HA 0.360 4.999 4.640 -0.002 0.000 0.245 301 D C -1.946 174.329 176.300 -0.042 0.000 1.116 301 D CA -1.763 52.177 54.000 -0.101 0.000 0.853 301 D CB 2.160 42.939 40.800 -0.035 0.000 1.123 301 D HN -0.093 nan 8.370 nan 0.000 0.540 302 P HA -0.077 nan 4.420 nan 0.000 0.216 302 P C 1.744 179.046 177.300 0.003 0.000 1.150 302 P CA 0.800 63.891 63.100 -0.015 0.000 0.843 302 P CB 0.398 32.094 31.700 -0.007 0.000 0.787 303 L N -0.817 120.422 121.223 0.027 0.000 2.131 303 L HA -0.186 4.153 4.340 -0.002 0.000 0.210 303 L C 2.336 179.227 176.870 0.034 0.000 1.092 303 L CA 1.507 56.380 54.840 0.055 0.000 0.759 303 L CB -0.688 41.440 42.059 0.115 0.000 0.903 303 L HN 0.074 nan 8.230 nan 0.000 0.435 304 E N -0.054 120.156 120.200 0.017 0.000 2.046 304 E HA -0.152 4.196 4.350 -0.002 0.000 0.190 304 E C 2.325 178.900 176.600 -0.043 0.000 0.982 304 E CA 1.003 57.398 56.400 -0.008 0.000 0.800 304 E CB -0.090 29.611 29.700 0.000 0.000 0.756 304 E HN 0.456 nan 8.360 nan 0.000 0.449 305 A N 1.238 124.033 122.820 -0.041 0.000 1.972 305 A HA -0.127 4.192 4.320 -0.002 0.000 0.219 305 A C 2.300 179.852 177.584 -0.053 0.000 1.169 305 A CA 1.684 53.687 52.037 -0.056 0.000 0.635 305 A CB -0.528 18.445 19.000 -0.045 0.000 0.810 305 A HN 0.304 nan 8.150 nan 0.000 0.446 306 A N 0.759 123.560 122.820 -0.031 0.000 1.897 306 A HA -0.124 4.195 4.320 -0.002 0.000 0.215 306 A C 2.169 179.733 177.584 -0.033 0.000 1.181 306 A CA 1.490 53.512 52.037 -0.024 0.000 0.620 306 A CB -0.428 18.570 19.000 -0.003 0.000 0.821 306 A HN 0.695 nan 8.150 nan 0.000 0.443 307 R N -0.349 120.132 120.500 -0.031 0.000 2.299 307 R HA 0.419 4.757 4.340 -0.002 0.000 0.197 307 R C 0.763 177.011 176.300 -0.087 0.000 0.971 307 R CA 0.561 56.639 56.100 -0.037 0.000 1.030 307 R CB -0.547 29.749 30.300 -0.006 0.000 0.932 307 R HN 0.270 nan 8.270 nan 0.000 0.477 308 A N 3.618 126.364 122.820 -0.124 0.000 2.545 308 A HA 0.125 4.444 4.320 -0.002 0.000 0.253 308 A C -1.419 176.030 177.584 -0.225 0.000 1.074 308 A CA -1.113 50.801 52.037 -0.205 0.000 0.760 308 A CB 0.142 19.011 19.000 -0.218 0.000 1.005 308 A HN 0.302 nan 8.150 nan 0.000 0.506 309 P HA 0.036 nan 4.420 nan 0.000 0.245 309 P C -0.164 176.913 177.300 -0.373 0.000 1.212 309 P CA 0.737 63.581 63.100 -0.427 0.000 0.774 309 P CB -0.113 31.070 31.700 -0.862 0.000 0.999 310 M N -2.989 116.433 119.600 -0.296 0.000 2.833 310 M HA 0.577 5.056 4.480 -0.002 0.000 0.270 310 M C -0.452 175.760 176.300 -0.147 0.000 1.209 310 M CA -0.055 55.141 55.300 -0.174 0.000 0.826 310 M CB 1.062 33.588 32.600 -0.122 0.000 1.657 310 M HN 0.033 nan 8.290 nan 0.000 0.492 311 G N 1.578 110.326 108.800 -0.087 0.000 2.829 311 G HA2 -0.067 3.892 3.960 -0.002 0.000 0.628 311 G HA3 -0.067 3.892 3.960 -0.002 0.000 0.628 311 G C -1.320 173.537 174.900 -0.072 0.000 1.412 311 G CA -0.088 44.967 45.100 -0.074 0.000 0.864 311 G HN 1.022 nan 8.290 nan 0.000 0.544 312 D N 0.042 120.409 120.400 -0.056 0.000 2.388 312 D HA 0.749 5.388 4.640 -0.002 0.000 0.254 312 D C 0.672 176.937 176.300 -0.058 0.000 1.111 312 D CA 0.879 54.850 54.000 -0.048 0.000 0.993 312 D CB 1.649 42.430 40.800 -0.032 0.000 1.118 312 D HN 1.282 nan 8.370 nan 0.000 0.502 313 A N 0.387 123.177 122.820 -0.050 0.000 2.572 313 A HA 0.705 5.024 4.320 -0.002 0.000 0.295 313 A C -1.253 176.308 177.584 -0.039 0.000 1.072 313 A CA -0.619 51.386 52.037 -0.052 0.000 0.691 313 A CB 1.257 20.219 19.000 -0.064 0.000 1.291 313 A HN 0.455 nan 8.150 nan 0.000 0.404 314 I N 1.506 122.054 120.570 -0.037 0.000 2.478 314 I HA 0.349 4.517 4.170 -0.002 0.000 0.287 314 I C -0.943 175.154 176.117 -0.032 0.000 1.042 314 I CA -0.874 60.408 61.300 -0.029 0.000 1.067 314 I CB 2.132 40.118 38.000 -0.023 0.000 1.233 314 I HN 0.312 nan 8.210 nan 0.000 0.431 315 V N 5.905 125.800 119.914 -0.032 0.000 2.348 315 V HA 0.828 4.947 4.120 -0.002 0.000 0.270 315 V C 0.362 176.434 176.094 -0.036 0.000 1.037 315 V CA -0.034 62.243 62.300 -0.038 0.000 0.872 315 V CB 0.589 32.390 31.823 -0.037 0.000 1.002 315 V HN 0.897 nan 8.190 nan 0.000 0.464 316 A N 3.727 126.524 122.820 -0.039 0.000 2.493 316 A HA 0.625 4.944 4.320 -0.002 0.000 0.300 316 A C -1.185 176.376 177.584 -0.039 0.000 1.152 316 A CA -0.754 51.262 52.037 -0.034 0.000 0.643 316 A CB 0.960 19.945 19.000 -0.024 0.000 1.316 316 A HN 0.672 nan 8.150 nan 0.000 0.469 317 D N 0.220 120.602 120.400 -0.030 0.000 2.383 317 D HA 0.305 4.943 4.640 -0.002 0.000 0.252 317 D C 1.121 177.410 176.300 -0.018 0.000 1.166 317 D CA -0.325 53.658 54.000 -0.028 0.000 0.879 317 D CB 0.338 41.128 40.800 -0.017 0.000 1.164 317 D HN 0.282 nan 8.370 nan 0.000 0.462 318 I N 3.778 124.336 120.570 -0.019 0.000 2.286 318 I HA -0.081 4.088 4.170 -0.002 0.000 0.248 318 I C 2.235 178.356 176.117 0.007 0.000 1.115 318 I CA 1.119 62.417 61.300 -0.003 0.000 1.392 318 I CB -1.551 36.451 38.000 0.004 0.000 1.065 318 I HN 0.659 nan 8.210 nan 0.000 0.418 319 G N 0.729 109.534 108.800 0.007 0.000 2.433 319 G HA2 -0.180 3.778 3.960 -0.002 0.000 0.216 319 G HA3 -0.180 3.778 3.960 -0.002 0.000 0.216 319 G C 1.889 176.795 174.900 0.010 0.000 1.186 319 G CA 1.070 46.177 45.100 0.012 0.000 0.779 319 G HN 0.473 nan 8.290 nan 0.000 0.543 320 A N 0.485 123.308 122.820 0.006 0.000 1.883 320 A HA -0.047 4.272 4.320 -0.002 0.000 0.217 320 A C 2.471 180.058 177.584 0.004 0.000 1.186 320 A CA 2.220 54.259 52.037 0.004 0.000 0.624 320 A CB -0.381 18.620 19.000 0.001 0.000 0.822 320 A HN 0.302 nan 8.150 nan 0.000 0.444 321 M N -0.555 119.047 119.600 0.002 0.000 2.086 321 M HA -0.102 4.377 4.480 -0.002 0.000 0.261 321 M C 2.584 178.890 176.300 0.010 0.000 1.067 321 M CA 1.629 56.931 55.300 0.003 0.000 1.116 321 M CB -1.608 30.992 32.600 -0.001 0.000 1.348 321 M HN 0.491 nan 8.290 nan 0.000 0.407 322 A N -0.335 122.493 122.820 0.014 0.000 1.883 322 A HA -0.198 4.120 4.320 -0.002 0.000 0.217 322 A C 2.504 180.101 177.584 0.021 0.000 1.186 322 A CA 2.554 54.604 52.037 0.022 0.000 0.624 322 A CB -1.082 17.936 19.000 0.030 0.000 0.822 322 A HN 0.519 nan 8.150 nan 0.000 0.444 323 S N -0.473 115.238 115.700 0.017 0.000 2.348 323 S HA -0.067 4.402 4.470 -0.002 0.000 0.221 323 S C 2.235 176.843 174.600 0.013 0.000 1.033 323 S CA 1.815 60.024 58.200 0.014 0.000 1.010 323 S CB -0.624 62.582 63.200 0.011 0.000 0.891 323 S HN 0.921 nan 8.310 nan 0.000 0.442 324 A N 1.633 124.459 122.820 0.010 0.000 1.873 324 A HA -0.034 4.284 4.320 -0.002 0.000 0.218 324 A C 2.313 179.903 177.584 0.010 0.000 1.193 324 A CA 1.791 53.833 52.037 0.008 0.000 0.629 324 A CB -1.048 17.955 19.000 0.005 0.000 0.826 324 A HN 0.594 nan 8.150 nan 0.000 0.447 325 L N -0.892 120.339 121.223 0.012 0.000 2.017 325 L HA -0.216 4.123 4.340 -0.002 0.000 0.208 325 L C 3.119 180.000 176.870 0.018 0.000 1.073 325 L CA 1.136 55.985 54.840 0.014 0.000 0.745 325 L CB -0.619 41.449 42.059 0.015 0.000 0.894 325 L HN 0.453 nan 8.230 nan 0.000 0.432 326 A N 0.195 123.028 122.820 0.022 0.000 1.978 326 A HA -0.196 4.123 4.320 -0.002 0.000 0.220 326 A C 1.828 179.425 177.584 0.021 0.000 1.170 326 A CA 1.899 53.952 52.037 0.025 0.000 0.636 326 A CB -0.481 18.536 19.000 0.028 0.000 0.810 326 A HN 0.521 nan 8.150 nan 0.000 0.448 327 N N -0.890 117.820 118.700 0.016 0.000 2.280 327 N HA 0.190 4.929 4.740 -0.002 0.000 0.192 327 N C 1.083 176.601 175.510 0.012 0.000 1.109 327 N CA 0.403 53.461 53.050 0.014 0.000 0.855 327 N CB 0.398 38.892 38.487 0.011 0.000 0.974 327 N HN 0.489 nan 8.380 nan 0.000 0.482 328 L N 0.195 121.426 121.223 0.013 0.000 2.577 328 L HA 0.185 4.524 4.340 -0.002 0.000 0.225 328 L C 0.648 177.526 176.870 0.013 0.000 1.053 328 L CA 0.035 54.882 54.840 0.011 0.000 0.866 328 L CB 0.137 42.201 42.059 0.009 0.000 1.132 328 L HN -0.105 nan 8.230 nan 0.000 0.486 329 V N -0.758 119.165 119.914 0.016 0.000 2.872 329 V HA 0.084 4.202 4.120 -0.002 0.000 0.307 329 V C 0.181 176.286 176.094 0.018 0.000 1.072 329 V CA -0.739 61.572 62.300 0.018 0.000 1.148 329 V CB 0.274 32.109 31.823 0.021 0.000 0.954 329 V HN 0.193 nan 8.190 nan 0.000 0.490 330 E N 1.643 121.854 120.200 0.018 0.000 2.349 330 E HA 0.292 4.640 4.350 -0.002 0.000 0.262 330 E C -0.362 176.251 176.600 0.022 0.000 1.088 330 E CA -0.522 55.889 56.400 0.018 0.000 0.899 330 E CB 0.862 30.572 29.700 0.016 0.000 1.044 330 E HN 0.908 nan 8.360 nan 0.000 0.420 331 E N 1.474 121.687 120.200 0.021 0.000 2.104 331 E HA 0.033 4.382 4.350 -0.002 0.000 0.278 331 E C -0.674 175.940 176.600 0.024 0.000 1.127 331 E CA -0.097 56.318 56.400 0.024 0.000 0.897 331 E CB 0.593 30.307 29.700 0.022 0.000 1.043 331 E HN 0.324 nan 8.360 nan 0.000 0.410 332 S N 3.074 118.790 115.700 0.027 0.000 2.572 332 S HA 0.025 4.493 4.470 -0.002 0.000 0.279 332 S C 1.044 175.659 174.600 0.024 0.000 1.341 332 S CA 0.146 58.361 58.200 0.026 0.000 1.043 332 S CB 0.539 63.758 63.200 0.031 0.000 0.887 332 S HN 0.658 nan 8.310 nan 0.000 0.516 333 S N 4.051 119.763 115.700 0.020 0.000 2.562 333 S HA 0.167 4.636 4.470 -0.002 0.000 0.221 333 S C 0.736 175.347 174.600 0.019 0.000 0.975 333 S CA -0.278 57.933 58.200 0.018 0.000 0.918 333 S CB -0.151 63.058 63.200 0.014 0.000 0.772 333 S HN 0.712 nan 8.310 nan 0.000 0.531 334 R N 1.538 122.051 120.500 0.022 0.000 2.827 334 R HA 0.161 4.500 4.340 -0.002 0.000 0.269 334 R C 0.074 176.388 176.300 0.024 0.000 1.048 334 R CA -0.061 56.053 56.100 0.023 0.000 1.173 334 R CB 0.183 30.500 30.300 0.028 0.000 1.070 334 R HN 0.352 nan 8.270 nan 0.000 0.498 335 Q N 1.634 121.447 119.800 0.022 0.000 2.304 335 Q HA 0.060 4.398 4.340 -0.002 0.000 0.260 335 Q C -0.233 175.784 176.000 0.028 0.000 0.965 335 Q CA -0.344 55.471 55.803 0.020 0.000 0.898 335 Q CB 0.841 29.588 28.738 0.015 0.000 1.196 335 Q HN 0.285 nan 8.270 nan 0.000 0.402 336 L N 5.170 126.411 121.223 0.030 0.000 2.490 336 L HA 0.142 4.480 4.340 -0.002 0.000 0.274 336 L C -2.106 174.785 176.870 0.036 0.000 1.201 336 L CA -0.762 54.104 54.840 0.043 0.000 0.869 336 L CB 0.025 42.108 42.059 0.040 0.000 1.123 336 L HN 0.428 nan 8.230 nan 0.000 0.484 337 P HA 0.058 nan 4.420 nan 0.000 0.266 337 P C -0.985 176.326 177.300 0.018 0.000 1.193 337 P CA 0.021 63.138 63.100 0.028 0.000 0.770 337 P CB 0.280 31.995 31.700 0.025 0.000 0.836 338 T N 1.811 116.367 114.554 0.003 0.000 2.856 338 T HA 0.434 4.782 4.350 -0.002 0.000 0.292 338 T C 0.333 175.030 174.700 -0.006 0.000 0.980 338 T CA -0.329 61.769 62.100 -0.004 0.000 1.091 338 T CB 0.554 69.418 68.868 -0.007 0.000 0.936 338 T HN 0.461 nan 8.240 nan 0.000 0.503 339 A N 2.717 125.535 122.820 -0.004 0.000 2.531 339 A HA 0.531 4.849 4.320 -0.002 0.000 0.236 339 A C 0.875 178.457 177.584 -0.002 0.000 1.062 339 A CA -0.437 51.604 52.037 0.007 0.000 0.760 339 A CB -0.248 18.753 19.000 0.002 0.000 0.995 339 A HN 1.084 nan 8.150 nan 0.000 0.501 340 A N 3.922 126.740 122.820 -0.002 0.000 2.445 340 A HA 0.535 4.854 4.320 -0.002 0.000 0.242 340 A C -1.365 176.219 177.584 -0.001 0.000 1.075 340 A CA -0.851 51.174 52.037 -0.020 0.000 0.777 340 A CB -0.534 18.441 19.000 -0.041 0.000 1.013 340 A HN 0.806 nan 8.150 nan 0.000 0.493 341 P HA 0.156 nan 4.420 nan 0.000 0.272 341 P C -0.467 176.836 177.300 0.006 0.000 1.223 341 P CA -0.349 62.751 63.100 -0.000 0.000 0.784 341 P CB 0.550 32.248 31.700 -0.003 0.000 0.923 342 E N 2.308 122.513 120.200 0.008 0.000 2.413 342 E HA 0.098 4.447 4.350 -0.002 0.000 0.263 342 E C -1.532 175.074 176.600 0.010 0.000 1.015 342 E CA -0.932 55.475 56.400 0.011 0.000 0.916 342 E CB -0.308 29.398 29.700 0.010 0.000 0.947 342 E HN 0.446 nan 8.360 nan 0.000 0.440 343 P HA 0.083 nan 4.420 nan 0.000 0.269 343 P C -0.699 176.607 177.300 0.010 0.000 1.215 343 P CA -0.282 62.825 63.100 0.011 0.000 0.780 343 P CB 0.592 32.301 31.700 0.015 0.000 0.898 344 A N 2.716 125.540 122.820 0.006 0.000 2.445 344 A HA 0.131 4.449 4.320 -0.002 0.000 0.242 344 A C 0.589 178.175 177.584 0.004 0.000 1.075 344 A CA -0.155 51.883 52.037 0.002 0.000 0.777 344 A CB -0.077 18.921 19.000 -0.003 0.000 1.013 344 A HN 0.523 nan 8.150 nan 0.000 0.493 345 K N 2.798 123.199 120.400 0.002 0.000 2.284 345 K HA 0.356 4.674 4.320 -0.002 0.000 0.287 345 K C -0.630 175.962 176.600 -0.013 0.000 1.081 345 K CA -0.126 56.163 56.287 0.003 0.000 0.910 345 K CB 0.412 32.917 32.500 0.008 0.000 1.088 345 K HN 0.440 nan 8.250 nan 0.000 0.478 346 V N 3.745 123.642 119.914 -0.027 0.000 2.811 346 V HA -0.026 4.092 4.120 -0.002 0.000 0.302 346 V C 0.502 176.550 176.094 -0.076 0.000 1.063 346 V CA -0.308 61.944 62.300 -0.080 0.000 1.088 346 V CB 0.757 32.492 31.823 -0.146 0.000 0.982 346 V HN 0.711 nan 8.190 nan 0.000 0.485 347 D N 2.895 123.236 120.400 -0.099 0.000 2.455 347 D HA 0.249 4.888 4.640 -0.002 0.000 0.241 347 D C -0.052 176.249 176.300 0.001 0.000 1.138 347 D CA 0.364 54.339 54.000 -0.042 0.000 0.877 347 D CB 0.983 41.766 40.800 -0.029 0.000 1.187 347 D HN 0.531 nan 8.370 nan 0.000 0.451 348 Q N 2.223 122.066 119.800 0.072 0.000 2.350 348 Q HA 0.208 4.547 4.340 -0.002 0.000 0.255 348 Q C -1.318 174.740 176.000 0.096 0.000 0.951 348 Q CA -0.761 55.133 55.803 0.151 0.000 0.751 348 Q CB 0.977 29.793 28.738 0.129 0.000 1.296 348 Q HN 0.381 nan 8.270 nan 0.000 0.453 349 D N 1.852 122.310 120.400 0.097 0.000 2.376 349 D HA 0.342 4.980 4.640 -0.002 0.000 0.268 349 D C 0.288 176.610 176.300 0.037 0.000 1.252 349 D CA -0.018 54.015 54.000 0.056 0.000 1.041 349 D CB 0.412 41.242 40.800 0.050 0.000 1.109 349 D HN 0.431 nan 8.370 nan 0.000 0.552 350 A N -1.112 121.722 122.820 0.024 0.000 2.302 350 A HA 0.474 4.792 4.320 -0.002 0.000 0.219 350 A C 0.966 178.553 177.584 0.006 0.000 1.243 350 A CA 0.358 52.404 52.037 0.015 0.000 0.856 350 A CB -1.117 17.891 19.000 0.014 0.000 0.893 350 A HN 0.536 nan 8.150 nan 0.000 0.491 351 G N -0.653 108.147 108.800 -0.000 0.000 2.849 351 G HA2 0.436 4.395 3.960 -0.002 0.000 0.174 351 G HA3 0.436 4.395 3.960 -0.002 0.000 0.174 351 G C -0.053 174.825 174.900 -0.037 0.000 1.370 351 G CA -1.055 44.035 45.100 -0.015 0.000 1.040 351 G HN 0.429 nan 8.290 nan 0.000 0.582 352 R N -0.745 119.721 120.500 -0.057 0.000 2.697 352 R HA 0.122 4.461 4.340 -0.002 0.000 0.265 352 R C -0.606 175.610 176.300 -0.139 0.000 1.009 352 R CA -0.054 55.996 56.100 -0.083 0.000 1.099 352 R CB 0.050 30.297 30.300 -0.089 0.000 0.965 352 R HN 0.140 nan 8.270 nan 0.000 0.428 353 L N 2.679 123.831 121.223 -0.119 0.000 2.375 353 L HA 0.200 4.539 4.340 -0.002 0.000 0.271 353 L C 0.687 177.451 176.870 -0.177 0.000 1.107 353 L CA -0.085 54.683 54.840 -0.120 0.000 0.806 353 L CB 0.508 42.527 42.059 -0.066 0.000 1.146 353 L HN 0.368 nan 8.230 nan 0.000 0.447 354 H N 2.108 121.163 119.070 -0.025 0.000 2.525 354 H HA 0.153 4.708 4.556 -0.002 0.000 0.339 354 H C -1.636 173.659 175.328 -0.055 0.000 1.109 354 H CA -1.595 54.441 56.048 -0.019 0.000 1.352 354 H CB 1.414 31.177 29.762 0.001 0.000 1.461 354 H HN 0.378 nan 8.280 nan 0.000 0.533 355 P HA -0.185 nan 4.420 nan 0.000 0.216 355 P C 1.059 178.331 177.300 -0.047 0.000 1.153 355 P CA 1.421 64.478 63.100 -0.072 0.000 0.858 355 P CB 0.464 32.220 31.700 0.094 0.000 0.789 356 E N -1.091 119.199 120.200 0.150 0.000 2.070 356 E HA -0.172 4.177 4.350 -0.002 0.000 0.197 356 E C 2.018 178.685 176.600 0.111 0.000 1.004 356 E CA 1.901 58.414 56.400 0.189 0.000 0.805 356 E CB -1.563 28.202 29.700 0.109 0.000 0.744 356 E HN 0.239 nan 8.360 nan 0.000 0.451 357 T N 0.332 114.927 114.554 0.069 0.000 2.684 357 T HA -0.153 4.195 4.350 -0.002 0.000 0.267 357 T C 2.012 176.702 174.700 -0.018 0.000 1.036 357 T CA 1.423 63.547 62.100 0.041 0.000 1.148 357 T CB -0.411 68.493 68.868 0.060 0.000 0.863 357 T HN -0.026 nan 8.240 nan 0.000 0.436 358 V N 0.805 120.643 119.914 -0.127 0.000 2.287 358 V HA -0.168 3.951 4.120 -0.002 0.000 0.248 358 V C 2.102 178.084 176.094 -0.186 0.000 1.053 358 V CA 1.784 63.949 62.300 -0.225 0.000 1.027 358 V CB -0.879 30.686 31.823 -0.430 0.000 0.646 358 V HN 0.484 nan 8.190 nan 0.000 0.447 359 F N 0.247 120.203 119.950 0.010 0.000 2.134 359 F HA -0.168 4.357 4.527 -0.002 0.000 0.299 359 F C 2.412 178.199 175.800 -0.021 0.000 1.097 359 F CA 1.439 59.423 58.000 -0.025 0.000 1.264 359 F CB -0.439 38.532 39.000 -0.048 0.000 1.001 359 F HN 0.183 nan 8.300 nan 0.000 0.479 360 D N -0.190 120.307 120.400 0.162 0.000 2.097 360 D HA -0.139 4.500 4.640 -0.002 0.000 0.195 360 D C 2.258 178.601 176.300 0.072 0.000 0.989 360 D CA 1.811 55.868 54.000 0.095 0.000 0.827 360 D CB -0.812 40.030 40.800 0.071 0.000 0.966 360 D HN 0.161 nan 8.370 nan 0.000 0.456 361 T N 1.056 115.643 114.554 0.055 0.000 2.708 361 T HA -0.072 4.277 4.350 -0.002 0.000 0.266 361 T C 2.235 176.975 174.700 0.066 0.000 1.037 361 T CA 0.501 62.627 62.100 0.045 0.000 1.146 361 T CB -0.344 68.537 68.868 0.023 0.000 0.865 361 T HN 0.106 nan 8.240 nan 0.000 0.435 362 L N 1.249 122.526 121.223 0.090 0.000 2.042 362 L HA -0.163 4.176 4.340 -0.002 0.000 0.210 362 L C 2.718 179.686 176.870 0.163 0.000 1.076 362 L CA 1.335 56.264 54.840 0.149 0.000 0.749 362 L CB -0.605 41.590 42.059 0.226 0.000 0.893 362 L HN 0.405 nan 8.230 nan 0.000 0.432 363 N N -0.286 118.489 118.700 0.126 0.000 2.104 363 N HA -0.217 4.522 4.740 -0.002 0.000 0.190 363 N C 1.287 176.845 175.510 0.081 0.000 1.024 363 N CA 1.553 54.662 53.050 0.098 0.000 0.853 363 N CB 0.098 38.616 38.487 0.051 0.000 1.008 363 N HN 0.334 nan 8.380 nan 0.000 0.424 364 D N 0.303 120.742 120.400 0.065 0.000 2.149 364 D HA -0.086 4.552 4.640 -0.002 0.000 0.201 364 D C 1.835 178.162 176.300 0.046 0.000 0.972 364 D CA 1.048 55.076 54.000 0.047 0.000 0.835 364 D CB -0.036 40.786 40.800 0.038 0.000 0.966 364 D HN 0.448 nan 8.370 nan 0.000 0.476 365 M N 0.269 119.902 119.600 0.054 0.000 2.486 365 M HA 0.169 4.647 4.480 -0.002 0.000 0.264 365 M C 0.959 177.284 176.300 0.043 0.000 1.125 365 M CA -0.002 55.324 55.300 0.043 0.000 1.144 365 M CB 0.421 33.044 32.600 0.039 0.000 1.353 365 M HN -0.192 nan 8.290 nan 0.000 0.466 366 A N 2.580 125.442 122.820 0.070 0.000 2.407 366 A HA 0.388 4.706 4.320 -0.002 0.000 0.248 366 A C -2.071 175.528 177.584 0.026 0.000 1.082 366 A CA -1.205 50.861 52.037 0.047 0.000 0.785 366 A CB -0.650 18.411 19.000 0.101 0.000 1.020 366 A HN 0.123 nan 8.150 nan 0.000 0.489 367 P HA 0.059 nan 4.420 nan 0.000 0.269 367 P C 0.169 177.464 177.300 -0.009 0.000 1.215 367 P CA -0.049 63.041 63.100 -0.016 0.000 0.780 367 P CB 0.534 32.212 31.700 -0.036 0.000 0.898 368 E N 1.267 121.465 120.200 -0.004 0.000 2.265 368 E HA -0.152 4.197 4.350 -0.002 0.000 0.196 368 E C 0.829 177.424 176.600 -0.009 0.000 0.996 368 E CA 0.929 57.331 56.400 0.002 0.000 0.832 368 E CB -0.271 29.427 29.700 -0.005 0.000 0.756 368 E HN 0.534 nan 8.360 nan 0.000 0.491 369 N N 0.613 119.296 118.700 -0.028 0.000 2.321 369 N HA 0.140 4.879 4.740 -0.002 0.000 0.242 369 N C -0.197 175.271 175.510 -0.069 0.000 1.141 369 N CA -0.126 52.902 53.050 -0.037 0.000 0.864 369 N CB 0.234 38.702 38.487 -0.033 0.000 1.100 369 N HN -0.061 nan 8.380 nan 0.000 0.510 370 A N 0.776 123.531 122.820 -0.109 0.000 2.406 370 A HA 0.488 4.806 4.320 -0.002 0.000 0.243 370 A C 0.086 177.502 177.584 -0.279 0.000 1.082 370 A CA -0.177 51.715 52.037 -0.242 0.000 0.786 370 A CB 0.176 18.943 19.000 -0.387 0.000 1.029 370 A HN 0.397 nan 8.150 nan 0.000 0.495 371 I N 1.025 121.402 120.570 -0.320 0.000 2.389 371 I HA 0.319 4.488 4.170 -0.002 0.000 0.288 371 I C -1.241 174.719 176.117 -0.262 0.000 0.999 371 I CA -0.238 60.960 61.300 -0.171 0.000 1.129 371 I CB 1.257 39.247 38.000 -0.015 0.000 1.288 371 I HN 0.613 nan 8.210 nan 0.000 0.444 372 Y N 6.098 126.417 120.300 0.031 0.000 2.387 372 Y HA 0.649 5.198 4.550 -0.002 0.000 0.330 372 Y C -0.371 175.532 175.900 0.005 0.000 1.133 372 Y CA -0.807 57.310 58.100 0.028 0.000 1.152 372 Y CB 1.481 39.970 38.460 0.049 0.000 1.215 372 Y HN 0.331 nan 8.280 nan 0.000 0.466 373 L N 2.616 123.938 121.223 0.164 0.000 2.386 373 L HA 0.399 4.738 4.340 -0.002 0.000 0.271 373 L C -0.629 176.305 176.870 0.106 0.000 0.993 373 L CA -0.504 54.381 54.840 0.076 0.000 0.819 373 L CB 1.966 44.059 42.059 0.057 0.000 1.294 373 L HN 0.668 nan 8.230 nan 0.000 0.414 374 N N 1.975 120.724 118.700 0.080 0.000 2.399 374 N HA 0.327 5.065 4.740 -0.002 0.000 0.280 374 N C -0.820 174.900 175.510 0.350 0.000 1.008 374 N CA -0.224 52.977 53.050 0.252 0.000 0.894 374 N CB 1.259 39.943 38.487 0.330 0.000 1.273 374 N HN 0.760 nan 8.380 nan 0.000 0.486 375 E N 2.461 122.833 120.200 0.286 0.000 3.843 375 E HA 0.049 4.397 4.350 -0.002 0.000 0.189 375 E C -1.320 175.425 176.600 0.241 0.000 1.013 375 E CA -0.098 56.447 56.400 0.241 0.000 1.395 375 E CB 0.472 30.266 29.700 0.156 0.000 1.136 375 E HN 0.356 nan 8.360 nan 0.000 0.444 376 S N 0.444 116.318 115.700 0.289 0.000 2.217 376 S HA 0.052 4.521 4.470 -0.002 0.000 0.168 376 S C 1.434 176.199 174.600 0.275 0.000 1.526 376 S CA 0.131 58.483 58.200 0.255 0.000 1.150 376 S CB 0.045 63.408 63.200 0.272 0.000 1.158 376 S HN 0.472 nan 8.310 nan 0.000 0.473 377 T N 0.280 114.999 114.554 0.276 0.000 2.755 377 T HA -0.213 4.136 4.350 -0.002 0.000 0.266 377 T C 1.622 176.441 174.700 0.198 0.000 1.041 377 T CA 2.061 64.327 62.100 0.278 0.000 1.147 377 T CB -0.718 68.296 68.868 0.242 0.000 0.847 377 T HN 0.696 nan 8.240 nan 0.000 0.478 378 S N 0.561 116.357 115.700 0.160 0.000 2.556 378 S HA 0.175 4.644 4.470 -0.002 0.000 0.216 378 S C 1.534 176.163 174.600 0.047 0.000 0.970 378 S CA 0.242 58.486 58.200 0.073 0.000 0.912 378 S CB -0.166 63.079 63.200 0.075 0.000 0.790 378 S HN 0.789 nan 8.310 nan 0.000 0.504 379 T N -3.244 111.390 114.554 0.133 0.000 3.091 379 T HA 0.200 4.548 4.350 -0.002 0.000 0.277 379 T C 1.261 176.032 174.700 0.119 0.000 0.996 379 T CA 0.294 62.501 62.100 0.179 0.000 0.897 379 T CB -0.275 68.815 68.868 0.371 0.000 1.109 379 T HN 0.148 nan 8.240 nan 0.000 0.534 380 T N 2.422 117.030 114.554 0.091 0.000 2.699 380 T HA -0.104 4.244 4.350 -0.002 0.000 0.268 380 T C 2.365 177.090 174.700 0.042 0.000 1.036 380 T CA 1.794 63.934 62.100 0.067 0.000 1.147 380 T CB -0.738 68.150 68.868 0.033 0.000 0.862 380 T HN 0.649 nan 8.240 nan 0.000 0.446 381 A N 1.411 124.230 122.820 -0.003 0.000 1.858 381 A HA -0.193 4.126 4.320 -0.002 0.000 0.216 381 A C 2.327 179.893 177.584 -0.030 0.000 1.190 381 A CA 1.803 53.830 52.037 -0.017 0.000 0.617 381 A CB -0.753 18.214 19.000 -0.054 0.000 0.827 381 A HN 0.479 nan 8.150 nan 0.000 0.443 382 Q N -0.932 118.838 119.800 -0.050 0.000 2.124 382 Q HA -0.105 4.234 4.340 -0.002 0.000 0.202 382 Q C 2.108 177.933 176.000 -0.292 0.000 0.977 382 Q CA 1.684 57.452 55.803 -0.059 0.000 0.850 382 Q CB -0.485 28.308 28.738 0.093 0.000 0.901 382 Q HN 0.782 nan 8.270 nan 0.000 0.429 383 M N -1.158 118.049 119.600 -0.655 0.000 2.080 383 M HA -0.198 4.281 4.480 -0.002 0.000 0.260 383 M C 1.160 177.086 176.300 -0.624 0.000 1.068 383 M CA 1.673 56.228 55.300 -1.241 0.000 1.109 383 M CB -0.157 31.714 32.600 -1.216 0.000 1.342 383 M HN 0.306 nan 8.290 nan 0.000 0.405 384 W N 0.718 121.761 121.300 -0.428 0.000 2.421 384 W HA -0.160 4.499 4.660 -0.002 0.000 0.270 384 W C 2.300 178.706 176.519 -0.189 0.000 1.233 384 W CA 1.240 58.395 57.345 -0.317 0.000 1.226 384 W CB -0.023 29.280 29.460 -0.262 0.000 1.121 384 W HN 0.398 nan 8.180 nan 0.000 0.579 385 Q N -0.902 118.913 119.800 0.026 0.000 2.250 385 Q HA 0.015 4.354 4.340 -0.002 0.000 0.200 385 Q C 1.824 177.813 176.000 -0.019 0.000 0.941 385 Q CA 0.758 56.579 55.803 0.030 0.000 0.872 385 Q CB -0.023 28.722 28.738 0.012 0.000 0.965 385 Q HN 0.259 nan 8.270 nan 0.000 0.480 386 R N -0.258 120.185 120.500 -0.094 0.000 2.334 386 R HA 0.235 4.574 4.340 -0.002 0.000 0.216 386 R C -0.102 176.136 176.300 -0.102 0.000 0.905 386 R CA 0.039 56.104 56.100 -0.059 0.000 1.064 386 R CB 0.554 30.867 30.300 0.022 0.000 1.046 386 R HN 0.059 nan 8.270 nan 0.000 0.508 387 L N 1.464 122.557 121.223 -0.217 0.000 2.305 387 L HA 0.278 4.617 4.340 -0.002 0.000 0.284 387 L C -0.385 176.372 176.870 -0.188 0.000 1.013 387 L CA -0.535 54.139 54.840 -0.275 0.000 0.819 387 L CB 1.655 43.359 42.059 -0.592 0.000 1.227 387 L HN 0.122 nan 8.230 nan 0.000 0.417 388 N N 5.171 123.815 118.700 -0.094 0.000 2.439 388 N HA 0.303 5.041 4.740 -0.002 0.000 0.243 388 N C -0.811 174.667 175.510 -0.054 0.000 1.088 388 N CA -0.496 52.516 53.050 -0.064 0.000 0.940 388 N CB 0.528 39.000 38.487 -0.025 0.000 1.180 388 N HN 0.569 nan 8.380 nan 0.000 0.505 389 M N 3.637 123.171 119.600 -0.110 0.000 2.080 389 M HA 0.240 4.718 4.480 -0.002 0.000 0.350 389 M C 0.956 177.189 176.300 -0.112 0.000 1.143 389 M CA -0.423 54.828 55.300 -0.080 0.000 1.064 389 M CB 1.458 33.980 32.600 -0.131 0.000 1.429 389 M HN 0.439 nan 8.290 nan 0.000 0.418 390 R N 0.556 121.011 120.500 -0.076 0.000 2.127 390 R HA 0.118 4.457 4.340 -0.002 0.000 0.217 390 R C 0.398 176.637 176.300 -0.101 0.000 1.074 390 R CA 0.676 56.719 56.100 -0.095 0.000 0.991 390 R CB 0.116 30.377 30.300 -0.066 0.000 0.895 390 R HN 0.630 nan 8.270 nan 0.000 0.450 391 N N 1.162 119.820 118.700 -0.071 0.000 2.485 391 N HA 0.304 5.043 4.740 -0.002 0.000 0.280 391 N C -2.601 172.876 175.510 -0.054 0.000 1.205 391 N CA -1.638 51.375 53.050 -0.062 0.000 0.959 391 N CB 0.630 39.093 38.487 -0.040 0.000 1.206 391 N HN -0.222 nan 8.380 nan 0.000 0.545 392 P HA 0.143 nan 4.420 nan 0.000 0.274 392 P C 0.296 177.591 177.300 -0.008 0.000 1.256 392 P CA 0.134 63.221 63.100 -0.022 0.000 0.795 392 P CB 0.260 31.955 31.700 -0.009 0.000 1.038 393 G N 0.442 109.238 108.800 -0.008 0.000 2.395 393 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.300 393 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.300 393 G C 0.530 175.424 174.900 -0.008 0.000 0.998 393 G CA 0.567 45.674 45.100 0.012 0.000 1.046 393 G HN 0.423 nan 8.290 nan 0.000 0.513 394 S N -1.503 114.151 115.700 -0.078 0.000 2.559 394 S HA 0.370 4.839 4.470 -0.002 0.000 0.226 394 S C -0.111 174.514 174.600 0.041 0.000 1.000 394 S CA 0.095 58.293 58.200 -0.003 0.000 0.948 394 S CB 0.614 63.823 63.200 0.016 0.000 0.870 394 S HN 0.753 nan 8.310 nan 0.000 0.497 395 Y N 0.713 120.803 120.300 -0.349 0.000 2.479 395 Y HA 0.565 5.113 4.550 -0.003 0.000 0.338 395 Y C -2.183 173.400 175.900 -0.528 0.000 1.055 395 Y CA -1.315 56.602 58.100 -0.304 0.000 1.023 395 Y CB 1.047 39.293 38.460 -0.357 0.000 1.287 395 Y HN 0.068 nan 8.280 nan 0.000 0.447 396 Y N 6.463 126.470 120.300 -0.488 0.000 2.433 396 Y HA 0.561 5.109 4.550 -0.002 0.000 0.337 396 Y C -1.511 174.263 175.900 -0.210 0.000 1.026 396 Y CA -1.068 56.935 58.100 -0.162 0.000 1.037 396 Y CB 2.135 40.667 38.460 0.120 0.000 1.245 396 Y HN 0.588 nan 8.280 nan 0.000 0.443 397 F N 3.076 123.015 119.950 -0.019 0.000 2.581 397 F HA 0.524 5.049 4.527 -0.003 0.000 0.311 397 F C -0.269 175.484 175.800 -0.078 0.000 1.113 397 F CA -1.792 56.227 58.000 0.031 0.000 0.935 397 F CB 0.908 39.986 39.000 0.130 0.000 1.232 397 F HN 0.721 nan 8.300 nan 0.000 0.445 398 C N 4.676 123.464 119.300 -0.853 0.000 2.262 398 C HA 0.360 4.818 4.460 -0.002 0.000 0.410 398 C C 1.716 176.310 174.990 -0.660 0.000 1.495 398 C CA -0.047 58.383 59.018 -0.980 0.000 1.410 398 C CB -1.538 25.778 27.740 -0.706 0.000 2.542 398 C HN 1.058 nan 8.230 nan 0.000 0.624 399 A N 3.243 125.783 122.820 -0.468 0.000 2.032 399 A HA 0.126 4.445 4.320 -0.002 0.000 0.221 399 A C 2.240 179.755 177.584 -0.116 0.000 1.165 399 A CA 2.046 53.980 52.037 -0.171 0.000 0.645 399 A CB -0.409 18.487 19.000 -0.173 0.000 0.807 399 A HN 1.707 nan 8.150 nan 0.000 0.453 400 A N -2.608 120.103 122.820 -0.182 0.000 2.470 400 A HA 0.472 4.791 4.320 -0.002 0.000 0.251 400 A C 1.617 179.117 177.584 -0.141 0.000 1.245 400 A CA 0.966 52.935 52.037 -0.113 0.000 0.932 400 A CB -0.537 18.412 19.000 -0.085 0.000 1.037 400 A HN 1.858 nan 8.150 nan 0.000 0.522 401 G N -0.994 107.679 108.800 -0.211 0.000 2.148 401 G HA2 -0.090 3.869 3.960 -0.002 0.000 0.254 401 G HA3 -0.090 3.869 3.960 -0.002 0.000 0.254 401 G C 0.681 175.448 174.900 -0.222 0.000 0.981 401 G CA 0.206 45.184 45.100 -0.204 0.000 0.670 401 G HN 1.464 nan 8.290 nan 0.000 0.528 402 G N 0.321 108.981 108.800 -0.234 0.000 2.365 402 G HA2 0.564 4.523 3.960 -0.002 0.000 0.293 402 G HA3 0.564 4.523 3.960 -0.002 0.000 0.293 402 G C 0.537 175.291 174.900 -0.244 0.000 1.128 402 G CA -0.512 44.464 45.100 -0.207 0.000 0.971 402 G HN 0.611 nan 8.290 nan 0.000 0.422 403 L N 1.812 122.814 121.223 -0.369 0.000 2.467 403 L HA 0.434 4.772 4.340 -0.002 0.000 0.270 403 L C 1.474 178.134 176.870 -0.350 0.000 1.205 403 L CA 0.804 55.376 54.840 -0.447 0.000 0.828 403 L CB 0.926 42.482 42.059 -0.838 0.000 1.101 403 L HN 0.820 nan 8.230 nan 0.000 0.479 404 G N 1.479 110.230 108.800 -0.082 0.000 2.168 404 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.197 404 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.197 404 G C 0.107 175.074 174.900 0.112 0.000 0.997 404 G CA 0.212 45.371 45.100 0.098 0.000 0.658 404 G HN 0.637 nan 8.290 nan 0.000 0.513 405 F N 1.485 121.400 119.950 -0.059 0.000 2.222 405 F HA 0.548 5.073 4.527 -0.002 0.000 0.285 405 F C 2.530 178.316 175.800 -0.022 0.000 1.068 405 F CA 1.839 59.804 58.000 -0.059 0.000 1.265 405 F CB -0.554 38.375 39.000 -0.119 0.000 1.087 405 F HN 0.239 nan 8.300 nan 0.000 0.511 406 A N 1.531 124.270 122.820 -0.135 0.000 1.884 406 A HA -0.258 4.061 4.320 -0.002 0.000 0.219 406 A C 2.332 179.831 177.584 -0.141 0.000 1.197 406 A CA 2.303 54.221 52.037 -0.199 0.000 0.637 406 A CB -1.543 17.496 19.000 0.065 0.000 0.827 406 A HN 0.611 nan 8.150 nan 0.000 0.450 407 L N 0.107 121.345 121.223 0.023 0.000 1.970 407 L HA -0.125 4.214 4.340 -0.002 0.000 0.212 407 L C -0.275 176.666 176.870 0.118 0.000 1.071 407 L CA 2.291 57.232 54.840 0.169 0.000 0.751 407 L CB -0.829 41.307 42.059 0.127 0.000 0.889 407 L HN 0.307 nan 8.230 nan 0.000 0.432 408 P HA -0.133 nan 4.420 nan 0.000 0.217 408 P C 1.272 178.482 177.300 -0.150 0.000 1.151 408 P CA 1.899 64.975 63.100 -0.040 0.000 0.828 408 P CB -0.059 31.613 31.700 -0.046 0.000 0.788 409 A N 0.916 123.504 122.820 -0.387 0.000 1.933 409 A HA -0.075 4.244 4.320 -0.002 0.000 0.218 409 A C 2.522 179.890 177.584 -0.360 0.000 1.175 409 A CA 2.156 53.857 52.037 -0.560 0.000 0.628 409 A CB -1.573 16.594 19.000 -1.388 0.000 0.814 409 A HN 0.231 nan 8.150 nan 0.000 0.444 410 A N -0.126 122.538 122.820 -0.260 0.000 1.972 410 A HA -0.079 4.240 4.320 -0.002 0.000 0.219 410 A C 2.074 179.582 177.584 -0.126 0.000 1.169 410 A CA 1.505 53.431 52.037 -0.186 0.000 0.635 410 A CB -0.574 18.317 19.000 -0.180 0.000 0.810 410 A HN 0.531 nan 8.150 nan 0.000 0.446 411 I N -0.630 119.921 120.570 -0.031 0.000 2.286 411 I HA -0.145 4.023 4.170 -0.002 0.000 0.245 411 I C 2.689 178.819 176.117 0.021 0.000 1.104 411 I CA 1.006 62.329 61.300 0.038 0.000 1.397 411 I CB -0.635 37.441 38.000 0.127 0.000 1.072 411 I HN 0.387 nan 8.210 nan 0.000 0.417 412 G N 0.712 109.498 108.800 -0.024 0.000 2.421 412 G HA2 -0.170 3.788 3.960 -0.002 0.000 0.216 412 G HA3 -0.170 3.788 3.960 -0.002 0.000 0.216 412 G C 1.725 176.661 174.900 0.061 0.000 1.171 412 G CA 0.783 45.901 45.100 0.029 0.000 0.775 412 G HN 0.210 nan 8.290 nan 0.000 0.543 413 V N 0.675 120.535 119.914 -0.089 0.000 2.287 413 V HA -0.243 3.875 4.120 -0.002 0.000 0.248 413 V C 2.792 178.866 176.094 -0.034 0.000 1.053 413 V CA 2.330 64.561 62.300 -0.115 0.000 1.027 413 V CB -0.527 31.176 31.823 -0.200 0.000 0.646 413 V HN 0.428 nan 8.190 nan 0.000 0.447 414 Q N -0.223 119.556 119.800 -0.035 0.000 2.181 414 Q HA -0.206 4.132 4.340 -0.002 0.000 0.205 414 Q C 1.915 177.937 176.000 0.037 0.000 0.980 414 Q CA 1.813 57.604 55.803 -0.020 0.000 0.862 414 Q CB -0.534 28.175 28.738 -0.048 0.000 0.905 414 Q HN 0.569 nan 8.270 nan 0.000 0.429 415 L N -0.419 120.862 121.223 0.097 0.000 2.141 415 L HA 0.086 4.425 4.340 -0.002 0.000 0.209 415 L C 1.901 178.917 176.870 0.243 0.000 1.094 415 L CA 1.932 56.870 54.840 0.164 0.000 0.763 415 L CB -0.693 41.482 42.059 0.194 0.000 0.908 415 L HN 0.223 nan 8.230 nan 0.000 0.437 416 A N -1.602 121.343 122.820 0.208 0.000 1.975 416 A HA 0.047 4.366 4.320 -0.002 0.000 0.215 416 A C 1.125 178.699 177.584 -0.017 0.000 1.170 416 A CA 0.679 52.723 52.037 0.011 0.000 0.656 416 A CB -0.130 18.714 19.000 -0.260 0.000 0.821 416 A HN 0.392 nan 8.150 nan 0.000 0.449 417 E N 0.007 120.206 120.200 -0.002 0.000 3.167 417 E HA 0.159 4.507 4.350 -0.002 0.000 0.212 417 E C -2.109 174.489 176.600 -0.004 0.000 1.143 417 E CA -1.688 54.706 56.400 -0.010 0.000 1.002 417 E CB 0.819 30.510 29.700 -0.015 0.000 1.315 417 E HN 0.407 nan 8.360 nan 0.000 0.422 418 P HA -0.130 nan 4.420 nan 0.000 0.221 418 P C 0.631 177.926 177.300 -0.008 0.000 1.145 418 P CA 0.994 64.098 63.100 0.006 0.000 0.795 418 P CB 0.610 32.320 31.700 0.017 0.000 0.775 419 E N -0.375 119.819 120.200 -0.011 0.000 2.479 419 E HA 0.096 4.445 4.350 -0.002 0.000 0.193 419 E C 0.618 177.202 176.600 -0.026 0.000 1.049 419 E CA 0.181 56.571 56.400 -0.017 0.000 0.870 419 E CB 0.168 29.860 29.700 -0.014 0.000 0.944 419 E HN 0.419 nan 8.360 nan 0.000 0.492 420 R N 1.011 121.491 120.500 -0.033 0.000 2.480 420 R HA 0.255 4.594 4.340 -0.002 0.000 0.306 420 R C -0.309 175.949 176.300 -0.071 0.000 0.958 420 R CA -0.845 55.225 56.100 -0.049 0.000 0.861 420 R CB 1.406 31.680 30.300 -0.043 0.000 1.171 420 R HN -0.160 nan 8.270 nan 0.000 0.445 421 Q N 2.372 122.117 119.800 -0.092 0.000 2.271 421 Q HA 0.115 4.454 4.340 -0.002 0.000 0.273 421 Q C -0.908 174.989 176.000 -0.172 0.000 1.051 421 Q CA 0.163 55.895 55.803 -0.118 0.000 0.901 421 Q CB 0.908 29.577 28.738 -0.115 0.000 1.174 421 Q HN 0.392 nan 8.270 nan 0.000 0.385 422 V N 6.841 126.655 119.914 -0.168 0.000 2.465 422 V HA 0.412 4.531 4.120 -0.002 0.000 0.279 422 V C 0.095 176.043 176.094 -0.244 0.000 1.045 422 V CA -0.425 61.756 62.300 -0.199 0.000 0.938 422 V CB 1.069 32.791 31.823 -0.169 0.000 0.986 422 V HN 0.724 nan 8.190 nan 0.000 0.467 423 I N 4.305 124.723 120.570 -0.253 0.000 2.439 423 I HA 0.590 4.759 4.170 -0.002 0.000 0.283 423 I C 0.115 176.201 176.117 -0.050 0.000 1.023 423 I CA -0.510 60.685 61.300 -0.176 0.000 1.100 423 I CB 1.736 39.646 38.000 -0.150 0.000 1.238 423 I HN 0.637 nan 8.210 nan 0.000 0.445 424 A N 6.719 129.486 122.820 -0.087 0.000 2.249 424 A HA 0.663 4.982 4.320 -0.002 0.000 0.314 424 A C -0.351 177.303 177.584 0.116 0.000 1.290 424 A CA -0.439 51.612 52.037 0.023 0.000 0.893 424 A CB 0.703 19.688 19.000 -0.025 0.000 1.165 424 A HN 0.460 nan 8.150 nan 0.000 0.530 425 V N 5.137 125.163 119.914 0.186 0.000 2.334 425 V HA 0.312 4.431 4.120 -0.002 0.000 0.267 425 V C -0.113 176.092 176.094 0.185 0.000 1.040 425 V CA 0.198 62.615 62.300 0.196 0.000 0.866 425 V CB 0.000 32.003 31.823 0.299 0.000 1.019 425 V HN 0.701 nan 8.190 nan 0.000 0.468 426 I N 3.654 124.307 120.570 0.138 0.000 2.509 426 I HA 0.576 4.745 4.170 -0.002 0.000 0.293 426 I C 0.966 177.124 176.117 0.068 0.000 1.020 426 I CA -0.553 60.824 61.300 0.128 0.000 1.088 426 I CB 1.971 40.052 38.000 0.135 0.000 1.267 426 I HN 0.637 nan 8.210 nan 0.000 0.430 427 G N 2.854 111.720 108.800 0.111 0.000 2.594 427 G HA2 0.043 4.002 3.960 -0.002 0.000 0.243 427 G HA3 0.043 4.002 3.960 -0.002 0.000 0.243 427 G C 0.863 175.785 174.900 0.037 0.000 1.229 427 G CA -0.280 44.875 45.100 0.092 0.000 0.843 427 G HN 0.851 nan 8.290 nan 0.000 0.578 428 D N 0.775 121.163 120.400 -0.020 0.000 2.182 428 D HA -0.114 4.524 4.640 -0.002 0.000 0.201 428 D C 2.031 178.500 176.300 0.282 0.000 0.986 428 D CA 1.365 55.330 54.000 -0.058 0.000 0.847 428 D CB -0.601 40.240 40.800 0.068 0.000 0.942 428 D HN 0.459 nan 8.370 nan 0.000 0.467 429 G N 0.362 109.352 108.800 0.316 0.000 2.395 429 G HA2 -0.177 3.781 3.960 -0.002 0.000 0.214 429 G HA3 -0.177 3.781 3.960 -0.002 0.000 0.214 429 G C 1.863 177.091 174.900 0.546 0.000 1.177 429 G CA 0.773 46.165 45.100 0.486 0.000 0.794 429 G HN 0.326 nan 8.290 nan 0.000 0.532 430 S N 1.216 117.199 115.700 0.471 0.000 2.383 430 S HA -0.060 4.409 4.470 -0.002 0.000 0.229 430 S C 2.734 177.598 174.600 0.439 0.000 1.030 430 S CA 1.146 59.627 58.200 0.468 0.000 1.002 430 S CB -0.366 62.981 63.200 0.245 0.000 0.829 430 S HN 0.575 nan 8.310 nan 0.000 0.467 431 A N 2.566 125.568 122.820 0.303 0.000 2.032 431 A HA -0.185 4.134 4.320 -0.002 0.000 0.221 431 A C 1.894 179.655 177.584 0.296 0.000 1.165 431 A CA 1.493 53.685 52.037 0.257 0.000 0.645 431 A CB -0.551 18.553 19.000 0.174 0.000 0.807 431 A HN 0.516 nan 8.150 nan 0.000 0.453 432 N N -1.186 117.694 118.700 0.301 0.000 2.216 432 N HA -0.141 4.597 4.740 -0.002 0.000 0.183 432 N C 1.521 177.082 175.510 0.086 0.000 1.017 432 N CA 1.516 54.657 53.050 0.152 0.000 0.861 432 N CB -0.534 37.976 38.487 0.038 0.000 0.986 432 N HN 0.637 nan 8.380 nan 0.000 0.428 433 Y N 1.567 121.947 120.300 0.133 0.000 2.096 433 Y HA -0.142 4.407 4.550 -0.003 0.000 0.278 433 Y C 1.591 177.536 175.900 0.075 0.000 1.192 433 Y CA 1.184 59.343 58.100 0.098 0.000 1.143 433 Y CB -0.264 38.249 38.460 0.089 0.000 0.963 433 Y HN -0.049 nan 8.280 nan 0.000 0.505 434 S N -0.810 115.025 115.700 0.226 0.000 2.668 434 S HA 0.147 4.616 4.470 -0.002 0.000 0.244 434 S C 1.132 175.777 174.600 0.075 0.000 1.140 434 S CA -0.348 57.926 58.200 0.123 0.000 1.134 434 S CB -0.051 63.211 63.200 0.102 0.000 0.954 434 S HN 0.232 nan 8.310 nan 0.000 0.490 435 I N 2.926 123.553 120.570 0.094 0.000 2.248 435 I HA -0.211 3.957 4.170 -0.002 0.000 0.248 435 I C 2.337 178.454 176.117 0.001 0.000 1.107 435 I CA 1.834 63.189 61.300 0.091 0.000 1.373 435 I CB -0.316 37.780 38.000 0.159 0.000 1.055 435 I HN 0.477 nan 8.210 nan 0.000 0.418 436 S N 0.578 116.234 115.700 -0.073 0.000 2.500 436 S HA -0.054 4.415 4.470 -0.002 0.000 0.239 436 S C 2.168 176.534 174.600 -0.389 0.000 0.989 436 S CA 0.652 58.585 58.200 -0.444 0.000 0.951 436 S CB -0.960 62.078 63.200 -0.270 0.000 0.759 436 S HN 0.508 nan 8.310 nan 0.000 0.523 437 A N 2.174 124.903 122.820 -0.152 0.000 2.019 437 A HA 0.091 4.409 4.320 -0.002 0.000 0.219 437 A C 2.172 179.721 177.584 -0.058 0.000 1.164 437 A CA 1.250 53.255 52.037 -0.055 0.000 0.644 437 A CB -0.854 18.143 19.000 -0.005 0.000 0.805 437 A HN 0.569 nan 8.150 nan 0.000 0.449 438 L N -2.544 118.581 121.223 -0.164 0.000 2.051 438 L HA -0.277 4.062 4.340 -0.002 0.000 0.214 438 L C 2.458 179.326 176.870 -0.003 0.000 1.076 438 L CA 1.947 56.696 54.840 -0.152 0.000 0.758 438 L CB -0.546 41.444 42.059 -0.115 0.000 0.890 438 L HN 0.761 nan 8.230 nan 0.000 0.433 439 W N 0.949 122.084 121.300 -0.276 0.000 2.321 439 W HA -0.266 4.392 4.660 -0.002 0.000 0.306 439 W C 2.598 179.104 176.519 -0.022 0.000 1.217 439 W CA 2.380 59.645 57.345 -0.133 0.000 1.257 439 W CB -0.434 28.859 29.460 -0.278 0.000 1.145 439 W HN 0.004 nan 8.180 nan 0.000 0.509 440 T N 0.346 115.002 114.554 0.170 0.000 2.746 440 T HA -0.211 4.137 4.350 -0.002 0.000 0.267 440 T C 1.929 176.692 174.700 0.104 0.000 1.039 440 T CA 1.969 64.168 62.100 0.164 0.000 1.142 440 T CB -0.921 68.123 68.868 0.293 0.000 0.866 440 T HN 0.267 nan 8.240 nan 0.000 0.444 441 A N 1.413 124.292 122.820 0.099 0.000 1.902 441 A HA 0.139 4.458 4.320 -0.002 0.000 0.217 441 A C 2.634 180.232 177.584 0.024 0.000 1.181 441 A CA 1.867 53.981 52.037 0.128 0.000 0.623 441 A CB -1.095 18.055 19.000 0.249 0.000 0.818 441 A HN 0.511 nan 8.150 nan 0.000 0.443 442 A N -1.258 121.515 122.820 -0.078 0.000 1.855 442 A HA -0.166 4.153 4.320 -0.002 0.000 0.215 442 A C 2.148 179.547 177.584 -0.308 0.000 1.191 442 A CA 1.633 53.576 52.037 -0.156 0.000 0.613 442 A CB -0.547 18.353 19.000 -0.166 0.000 0.829 442 A HN 0.464 nan 8.150 nan 0.000 0.442 443 Q N -1.008 118.428 119.800 -0.606 0.000 2.061 443 Q HA -0.182 4.157 4.340 -0.002 0.000 0.204 443 Q C 1.221 176.816 176.000 -0.675 0.000 0.984 443 Q CA 1.710 57.009 55.803 -0.841 0.000 0.846 443 Q CB -0.427 27.430 28.738 -1.468 0.000 0.902 443 Q HN 0.866 nan 8.270 nan 0.000 0.421 444 Y N 0.014 120.191 120.300 -0.205 0.000 2.493 444 Y HA 0.130 4.679 4.550 -0.002 0.000 0.275 444 Y C 0.341 176.198 175.900 -0.071 0.000 1.183 444 Y CA -0.399 57.635 58.100 -0.111 0.000 1.258 444 Y CB -0.371 38.041 38.460 -0.081 0.000 1.108 444 Y HN 0.164 nan 8.280 nan 0.000 0.521 445 N N 1.438 120.139 118.700 0.002 0.000 2.686 445 N HA -0.231 4.508 4.740 -0.002 0.000 0.261 445 N C -1.114 174.426 175.510 0.049 0.000 1.001 445 N CA 0.290 53.347 53.050 0.011 0.000 0.764 445 N CB -1.090 37.395 38.487 -0.004 0.000 0.898 445 N HN 0.407 nan 8.380 nan 0.000 0.544 446 I N 1.517 122.131 120.570 0.073 0.000 2.287 446 I HA 0.203 4.371 4.170 -0.002 0.000 0.290 446 I C -1.267 174.881 176.117 0.051 0.000 1.069 446 I CA -2.020 59.321 61.300 0.068 0.000 1.237 446 I CB 1.169 39.223 38.000 0.091 0.000 1.418 446 I HN 0.133 nan 8.210 nan 0.000 0.481 447 P HA -0.066 nan 4.420 nan 0.000 0.311 447 P C 0.135 177.400 177.300 -0.058 0.000 1.543 447 P CA 0.213 63.311 63.100 -0.003 0.000 0.766 447 P CB -0.705 30.989 31.700 -0.010 0.000 1.711 448 T N 1.290 115.787 114.554 -0.096 0.000 2.919 448 T HA 0.240 4.589 4.350 -0.002 0.000 0.302 448 T C 0.763 175.203 174.700 -0.432 0.000 1.031 448 T CA 0.251 62.156 62.100 -0.326 0.000 1.127 448 T CB 0.680 69.235 68.868 -0.523 0.000 0.952 448 T HN 0.065 nan 8.240 nan 0.000 0.540 449 I N 3.212 123.500 120.570 -0.470 0.000 2.339 449 I HA 0.353 4.521 4.170 -0.002 0.000 0.290 449 I C -0.860 175.005 176.117 -0.421 0.000 0.994 449 I CA -0.649 60.476 61.300 -0.291 0.000 1.191 449 I CB 0.927 38.847 38.000 -0.134 0.000 1.343 449 I HN 0.512 nan 8.210 nan 0.000 0.458 450 F N 5.946 125.910 119.950 0.025 0.000 2.361 450 F HA 0.378 4.904 4.527 -0.002 0.000 0.364 450 F C 0.073 175.883 175.800 0.017 0.000 1.117 450 F CA -0.875 57.140 58.000 0.026 0.000 1.071 450 F CB 1.290 40.311 39.000 0.035 0.000 1.188 450 F HN 0.014 nan 8.300 nan 0.000 0.464 451 V N 5.643 125.645 119.914 0.146 0.000 2.304 451 V HA 0.260 4.379 4.120 -0.002 0.000 0.269 451 V C 0.118 176.234 176.094 0.037 0.000 1.036 451 V CA -0.562 61.785 62.300 0.077 0.000 0.840 451 V CB 0.534 32.390 31.823 0.055 0.000 1.036 451 V HN 0.425 nan 8.190 nan 0.000 0.466 452 I N 6.051 126.602 120.570 -0.031 0.000 2.337 452 I HA 0.289 4.458 4.170 -0.002 0.000 0.291 452 I C 0.289 176.310 176.117 -0.160 0.000 1.046 452 I CA -0.279 60.918 61.300 -0.172 0.000 1.324 452 I CB 1.204 38.934 38.000 -0.451 0.000 1.409 452 I HN 0.438 nan 8.210 nan 0.000 0.494 453 M N 5.897 125.430 119.600 -0.111 0.000 2.201 453 M HA 0.147 4.625 4.480 -0.002 0.000 0.345 453 M C 0.160 176.412 176.300 -0.079 0.000 1.352 453 M CA -0.066 55.189 55.300 -0.076 0.000 1.218 453 M CB -0.535 32.050 32.600 -0.026 0.000 1.512 453 M HN 0.358 nan 8.290 nan 0.000 0.447 454 N N 3.793 122.449 118.700 -0.073 0.000 2.527 454 N HA 0.160 4.898 4.740 -0.002 0.000 0.236 454 N C -0.088 175.438 175.510 0.028 0.000 0.999 454 N CA -0.077 52.963 53.050 -0.017 0.000 0.935 454 N CB 0.457 38.962 38.487 0.029 0.000 1.132 454 N HN 0.493 nan 8.380 nan 0.000 0.511 455 N N 2.033 120.761 118.700 0.047 0.000 2.200 455 N HA 0.163 4.902 4.740 -0.002 0.000 0.224 455 N C 0.901 176.446 175.510 0.058 0.000 1.179 455 N CA 0.067 53.145 53.050 0.047 0.000 0.877 455 N CB 0.054 38.572 38.487 0.051 0.000 1.072 455 N HN 0.450 nan 8.380 nan 0.000 0.519 456 G N -0.944 107.899 108.800 0.072 0.000 2.212 456 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.267 456 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.267 456 G C -0.009 174.899 174.900 0.013 0.000 1.002 456 G CA 1.039 46.171 45.100 0.054 0.000 0.729 456 G HN 0.801 nan 8.290 nan 0.000 0.517 457 T N -1.930 112.643 114.554 0.031 0.000 2.853 457 T HA 0.501 4.850 4.350 -0.002 0.000 0.311 457 T C -0.532 174.240 174.700 0.120 0.000 1.307 457 T CA -0.629 61.480 62.100 0.015 0.000 1.019 457 T CB 0.892 69.802 68.868 0.070 0.000 1.264 457 T HN 0.243 nan 8.240 nan 0.000 0.497 458 Y N 2.666 123.051 120.300 0.142 0.000 2.623 458 Y HA 0.228 4.776 4.550 -0.002 0.000 0.341 458 Y C 1.891 177.893 175.900 0.171 0.000 1.292 458 Y CA -0.528 57.671 58.100 0.165 0.000 1.840 458 Y CB 0.000 38.563 38.460 0.171 0.000 1.865 458 Y HN 0.959 nan 8.280 nan 0.000 0.440 459 G N 1.525 110.507 108.800 0.302 0.000 2.599 459 G HA2 -0.424 3.534 3.960 -0.002 0.000 0.219 459 G HA3 -0.424 3.534 3.960 -0.002 0.000 0.219 459 G C 1.833 176.898 174.900 0.275 0.000 1.193 459 G CA 1.170 46.417 45.100 0.245 0.000 0.778 459 G HN 0.651 nan 8.290 nan 0.000 0.589 460 A N 0.473 123.448 122.820 0.258 0.000 1.917 460 A HA -0.032 4.287 4.320 -0.002 0.000 0.219 460 A C 2.502 180.294 177.584 0.346 0.000 1.182 460 A CA 1.701 53.899 52.037 0.269 0.000 0.633 460 A CB -0.486 18.643 19.000 0.215 0.000 0.819 460 A HN 0.397 nan 8.150 nan 0.000 0.448 461 L N -1.482 119.929 121.223 0.312 0.000 2.083 461 L HA -0.182 4.157 4.340 -0.002 0.000 0.209 461 L C 2.874 179.937 176.870 0.322 0.000 1.083 461 L CA 1.416 56.449 54.840 0.322 0.000 0.752 461 L CB -0.533 41.688 42.059 0.271 0.000 0.899 461 L HN 0.396 nan 8.230 nan 0.000 0.433 462 R N -0.792 119.893 120.500 0.309 0.000 2.096 462 R HA -0.205 4.134 4.340 -0.002 0.000 0.235 462 R C 2.153 178.633 176.300 0.301 0.000 1.127 462 R CA 1.631 57.886 56.100 0.259 0.000 0.968 462 R CB -0.389 30.057 30.300 0.244 0.000 0.861 462 R HN 0.523 nan 8.270 nan 0.000 0.440 463 W N 0.876 122.270 121.300 0.157 0.000 2.304 463 W HA -0.308 4.352 4.660 -0.001 0.000 0.328 463 W C 1.861 178.497 176.519 0.196 0.000 1.242 463 W CA 1.369 58.804 57.345 0.151 0.000 1.243 463 W CB -0.797 28.749 29.460 0.144 0.000 1.170 463 W HN 0.047 nan 8.180 nan 0.000 0.460 464 F N 1.628 121.663 119.950 0.142 0.000 2.115 464 F HA -0.355 4.171 4.527 -0.002 0.000 0.300 464 F C 2.476 178.241 175.800 -0.058 0.000 1.092 464 F CA 2.396 60.390 58.000 -0.010 0.000 1.245 464 F CB -0.554 38.499 39.000 0.089 0.000 0.995 464 F HN -0.010 nan 8.300 nan 0.000 0.481 465 A N 0.420 123.223 122.820 -0.028 0.000 1.892 465 A HA -0.220 4.099 4.320 -0.002 0.000 0.218 465 A C 2.396 179.861 177.584 -0.198 0.000 1.188 465 A CA 1.999 53.947 52.037 -0.148 0.000 0.631 465 A CB -1.847 17.149 19.000 -0.007 0.000 0.822 465 A HN 0.539 nan 8.150 nan 0.000 0.447 466 G N -0.330 108.362 108.800 -0.179 0.000 2.440 466 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.218 466 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.218 466 G C 1.683 176.402 174.900 -0.301 0.000 1.154 466 G CA 2.254 47.209 45.100 -0.242 0.000 0.767 466 G HN 1.112 nan 8.290 nan 0.000 0.552 467 V N 0.149 119.845 119.914 -0.363 0.000 2.237 467 V HA -0.100 4.019 4.120 -0.002 0.000 0.245 467 V C 2.686 178.640 176.094 -0.234 0.000 1.046 467 V CA 1.875 64.013 62.300 -0.271 0.000 1.007 467 V CB -0.865 30.878 31.823 -0.133 0.000 0.638 467 V HN 0.303 nan 8.190 nan 0.000 0.445 468 L N 0.130 121.139 121.223 -0.357 0.000 2.551 468 L HA -0.070 4.269 4.340 -0.002 0.000 0.230 468 L C 1.805 178.549 176.870 -0.211 0.000 1.163 468 L CA 1.564 56.204 54.840 -0.333 0.000 0.826 468 L CB -1.303 40.433 42.059 -0.538 0.000 0.943 468 L HN 0.556 nan 8.230 nan 0.000 0.452 469 E N -0.926 119.159 120.200 -0.191 0.000 2.735 469 E HA -0.258 4.090 4.350 -0.002 0.000 0.261 469 E C 0.579 177.110 176.600 -0.115 0.000 1.137 469 E CA 0.275 56.596 56.400 -0.132 0.000 0.754 469 E CB -0.904 28.736 29.700 -0.099 0.000 1.352 469 E HN 0.595 nan 8.360 nan 0.000 0.430 470 A N 1.345 124.076 122.820 -0.149 0.000 2.492 470 A HA 0.204 4.522 4.320 -0.002 0.000 0.254 470 A C 0.372 177.911 177.584 -0.075 0.000 1.091 470 A CA 0.418 52.383 52.037 -0.120 0.000 0.768 470 A CB 0.305 19.208 19.000 -0.162 0.000 1.028 470 A HN 0.215 nan 8.150 nan 0.000 0.498 471 E N 1.750 121.921 120.200 -0.049 0.000 2.299 471 E HA 0.398 4.747 4.350 -0.002 0.000 0.265 471 E C -0.536 176.057 176.600 -0.013 0.000 0.911 471 E CA -1.254 55.130 56.400 -0.026 0.000 0.789 471 E CB 0.996 30.682 29.700 -0.023 0.000 1.246 471 E HN 0.672 nan 8.360 nan 0.000 0.427 472 N N -0.293 118.407 118.700 0.000 0.000 2.780 472 N HA -0.137 4.602 4.740 -0.002 0.000 0.248 472 N C -1.008 174.511 175.510 0.015 0.000 1.102 472 N CA 0.382 53.437 53.050 0.008 0.000 0.697 472 N CB -1.242 37.247 38.487 0.004 0.000 1.028 472 N HN 0.162 nan 8.380 nan 0.000 0.554 473 V N 2.134 122.061 119.914 0.022 0.000 2.432 473 V HA 0.308 4.427 4.120 -0.002 0.000 0.271 473 V C -0.824 175.303 176.094 0.055 0.000 1.046 473 V CA -0.845 61.477 62.300 0.037 0.000 0.945 473 V CB 1.264 33.112 31.823 0.042 0.000 0.992 473 V HN 0.133 nan 8.190 nan 0.000 0.471 474 P HA 0.303 nan 4.420 nan 0.000 0.277 474 P C 0.640 177.997 177.300 0.095 0.000 1.271 474 P CA 0.224 63.362 63.100 0.063 0.000 0.795 474 P CB 0.798 32.529 31.700 0.051 0.000 1.101 475 G N 0.011 108.866 108.800 0.091 0.000 2.341 475 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.292 475 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.292 475 G C 0.520 175.542 174.900 0.204 0.000 1.021 475 G CA 0.474 45.650 45.100 0.127 0.000 0.905 475 G HN 0.482 nan 8.290 nan 0.000 0.508 476 L N -1.103 120.214 121.223 0.157 0.000 2.554 476 L HA 0.255 4.594 4.340 -0.002 0.000 0.225 476 L C 0.366 177.260 176.870 0.040 0.000 1.104 476 L CA 0.070 55.043 54.840 0.223 0.000 0.866 476 L CB 0.095 42.269 42.059 0.192 0.000 1.047 476 L HN 0.133 nan 8.230 nan 0.000 0.468 477 D N 0.497 120.866 120.400 -0.050 0.000 2.248 477 D HA 0.325 4.964 4.640 -0.002 0.000 0.246 477 D C -0.024 176.148 176.300 -0.214 0.000 1.027 477 D CA -0.079 53.851 54.000 -0.118 0.000 0.853 477 D CB 3.048 43.826 40.800 -0.035 0.000 1.243 477 D HN -0.196 nan 8.370 nan 0.000 0.462 478 V N -0.724 119.048 119.914 -0.237 0.000 2.454 478 V HA 0.352 4.470 4.120 -0.002 0.000 0.255 478 V C -2.496 173.549 176.094 -0.081 0.000 1.009 478 V CA -1.364 60.814 62.300 -0.203 0.000 1.149 478 V CB 0.435 32.074 31.823 -0.307 0.000 1.418 478 V HN 0.316 nan 8.190 nan 0.000 0.567 479 P HA 0.429 nan 4.420 nan 0.000 0.276 479 P C 0.831 178.107 177.300 -0.041 0.000 1.261 479 P CA 0.964 64.048 63.100 -0.027 0.000 0.800 479 P CB 1.319 33.006 31.700 -0.021 0.000 1.066 480 G N -0.049 108.729 108.800 -0.037 0.000 2.198 480 G HA2 -0.190 3.768 3.960 -0.002 0.000 0.257 480 G HA3 -0.190 3.768 3.960 -0.002 0.000 0.257 480 G C -0.163 174.668 174.900 -0.116 0.000 1.042 480 G CA -0.118 44.945 45.100 -0.062 0.000 0.791 480 G HN 0.487 nan 8.290 nan 0.000 0.502 481 I N 0.514 120.989 120.570 -0.158 0.000 2.389 481 I HA 0.293 4.462 4.170 -0.002 0.000 0.288 481 I C -0.735 175.110 176.117 -0.454 0.000 0.999 481 I CA -0.824 60.250 61.300 -0.375 0.000 1.129 481 I CB 1.807 39.472 38.000 -0.559 0.000 1.288 481 I HN 0.021 nan 8.210 nan 0.000 0.444 482 D N 6.403 126.568 120.400 -0.392 0.000 2.467 482 D HA 0.211 4.849 4.640 -0.002 0.000 0.220 482 D C 0.586 176.711 176.300 -0.292 0.000 1.103 482 D CA -0.285 53.575 54.000 -0.233 0.000 0.886 482 D CB 0.596 41.322 40.800 -0.123 0.000 1.025 482 D HN 0.298 nan 8.370 nan 0.000 0.514 483 F N 2.040 121.997 119.950 0.011 0.000 2.293 483 F HA 0.005 4.530 4.527 -0.003 0.000 0.300 483 F C 2.365 178.174 175.800 0.015 0.000 1.086 483 F CA 0.527 58.538 58.000 0.018 0.000 1.375 483 F CB 0.022 39.041 39.000 0.031 0.000 1.045 483 F HN 0.235 nan 8.300 nan 0.000 0.516 484 R N 0.184 120.776 120.500 0.154 0.000 2.092 484 R HA -0.075 4.263 4.340 -0.002 0.000 0.231 484 R C 2.474 178.799 176.300 0.041 0.000 1.119 484 R CA 1.133 57.291 56.100 0.096 0.000 0.970 484 R CB -0.676 29.668 30.300 0.074 0.000 0.864 484 R HN 0.263 nan 8.270 nan 0.000 0.440 485 A N 0.972 123.791 122.820 -0.001 0.000 1.898 485 A HA -0.110 4.208 4.320 -0.002 0.000 0.216 485 A C 2.118 179.668 177.584 -0.057 0.000 1.181 485 A CA 1.102 53.115 52.037 -0.039 0.000 0.620 485 A CB -0.511 18.447 19.000 -0.069 0.000 0.819 485 A HN 0.178 nan 8.150 nan 0.000 0.442 486 L N -0.801 120.389 121.223 -0.056 0.000 2.046 486 L HA -0.202 4.137 4.340 -0.002 0.000 0.208 486 L C 3.116 179.996 176.870 0.017 0.000 1.077 486 L CA 1.065 55.877 54.840 -0.047 0.000 0.747 486 L CB -0.596 41.458 42.059 -0.009 0.000 0.896 486 L HN 0.450 nan 8.230 nan 0.000 0.432 487 A N 0.168 123.028 122.820 0.066 0.000 1.902 487 A HA -0.264 4.054 4.320 -0.002 0.000 0.217 487 A C 2.411 180.033 177.584 0.063 0.000 1.181 487 A CA 2.029 54.117 52.037 0.085 0.000 0.623 487 A CB -0.472 18.581 19.000 0.087 0.000 0.818 487 A HN 0.345 nan 8.150 nan 0.000 0.443 488 K N -0.557 119.857 120.400 0.024 0.000 2.057 488 K HA -0.112 4.207 4.320 -0.002 0.000 0.207 488 K C 2.027 178.611 176.600 -0.027 0.000 1.049 488 K CA 1.407 57.698 56.287 0.006 0.000 0.931 488 K CB -0.596 31.899 32.500 -0.008 0.000 0.714 488 K HN 0.376 nan 8.250 nan 0.000 0.440 489 G N -0.165 108.569 108.800 -0.109 0.000 2.469 489 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.220 489 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.220 489 G C 0.861 175.589 174.900 -0.287 0.000 1.136 489 G CA 0.958 45.901 45.100 -0.262 0.000 0.759 489 G HN 0.453 nan 8.290 nan 0.000 0.562 490 Y N -0.019 120.338 120.300 0.095 0.000 2.607 490 Y HA 0.375 4.924 4.550 -0.002 0.000 0.266 490 Y C 1.763 177.738 175.900 0.125 0.000 1.178 490 Y CA -0.213 58.000 58.100 0.189 0.000 1.226 490 Y CB 0.691 39.266 38.460 0.192 0.000 1.144 490 Y HN 0.265 nan 8.280 nan 0.000 0.528 491 G N 0.926 109.826 108.800 0.167 0.000 2.198 491 G HA2 -0.250 3.708 3.960 -0.002 0.000 0.257 491 G HA3 -0.250 3.708 3.960 -0.002 0.000 0.257 491 G C -0.495 174.442 174.900 0.062 0.000 1.042 491 G CA 0.184 45.336 45.100 0.086 0.000 0.791 491 G HN 0.144 nan 8.290 nan 0.000 0.502 492 V N 0.495 120.459 119.914 0.083 0.000 2.459 492 V HA 0.419 4.537 4.120 -0.002 0.000 0.295 492 V C 0.828 176.967 176.094 0.075 0.000 1.029 492 V CA -0.746 61.602 62.300 0.079 0.000 0.874 492 V CB 1.887 33.763 31.823 0.088 0.000 0.985 492 V HN 0.518 nan 8.190 nan 0.000 0.438 493 Q N 2.523 122.366 119.800 0.072 0.000 2.286 493 Q HA 0.396 4.735 4.340 -0.002 0.000 0.290 493 Q C -0.196 175.851 176.000 0.079 0.000 1.049 493 Q CA 0.143 55.984 55.803 0.064 0.000 0.923 493 Q CB 0.806 29.578 28.738 0.057 0.000 1.183 493 Q HN 0.942 nan 8.270 nan 0.000 0.383 494 A N 4.864 127.725 122.820 0.068 0.000 2.374 494 A HA 0.799 5.118 4.320 -0.002 0.000 0.317 494 A C -1.333 176.290 177.584 0.065 0.000 1.094 494 A CA -0.706 51.378 52.037 0.078 0.000 0.765 494 A CB 1.164 20.212 19.000 0.079 0.000 1.268 494 A HN 0.739 nan 8.150 nan 0.000 0.438 495 L N 0.474 121.739 121.223 0.070 0.000 2.376 495 L HA 0.679 5.017 4.340 -0.002 0.000 0.258 495 L C -0.546 176.358 176.870 0.058 0.000 1.013 495 L CA -1.041 53.833 54.840 0.055 0.000 0.822 495 L CB 2.527 44.615 42.059 0.049 0.000 1.388 495 L HN 0.718 nan 8.230 nan 0.000 0.413 496 K N 1.190 121.618 120.400 0.046 0.000 2.316 496 K HA 0.832 5.151 4.320 -0.002 0.000 0.251 496 K C -1.359 175.259 176.600 0.030 0.000 0.934 496 K CA -0.296 56.018 56.287 0.044 0.000 0.802 496 K CB 2.188 34.713 32.500 0.043 0.000 1.171 496 K HN 0.633 nan 8.250 nan 0.000 0.426 497 A N 3.645 126.479 122.820 0.024 0.000 2.522 497 A HA 0.341 4.660 4.320 -0.002 0.000 0.285 497 A C -0.819 176.769 177.584 0.006 0.000 1.198 497 A CA -0.614 51.430 52.037 0.012 0.000 0.742 497 A CB 0.524 19.527 19.000 0.006 0.000 1.176 497 A HN 0.834 nan 8.150 nan 0.000 0.444 498 D N 1.042 121.446 120.400 0.006 0.000 2.360 498 D HA 0.063 4.701 4.640 -0.002 0.000 0.210 498 D C 0.049 176.345 176.300 -0.007 0.000 1.047 498 D CA 0.864 54.865 54.000 0.001 0.000 0.854 498 D CB 0.435 41.238 40.800 0.006 0.000 0.936 498 D HN 0.788 nan 8.370 nan 0.000 0.514 499 N N -1.148 117.549 118.700 -0.005 0.000 3.020 499 N HA 0.056 4.795 4.740 -0.002 0.000 0.248 499 N C 0.275 175.784 175.510 -0.002 0.000 1.480 499 N CA -0.737 52.309 53.050 -0.005 0.000 0.874 499 N CB 1.088 39.575 38.487 0.001 0.000 1.433 499 N HN -0.249 nan 8.380 nan 0.000 0.530 500 L N 0.037 121.261 121.223 0.002 0.000 2.013 500 L HA -0.049 4.289 4.340 -0.002 0.000 0.212 500 L C 1.684 178.559 176.870 0.008 0.000 1.073 500 L CA 2.060 56.904 54.840 0.006 0.000 0.753 500 L CB -0.908 41.160 42.059 0.015 0.000 0.890 500 L HN 0.663 nan 8.230 nan 0.000 0.432 501 E N -0.398 119.807 120.200 0.009 0.000 2.077 501 E HA -0.241 4.108 4.350 -0.002 0.000 0.193 501 E C 2.210 178.816 176.600 0.010 0.000 0.989 501 E CA 1.362 57.768 56.400 0.010 0.000 0.800 501 E CB -0.266 29.440 29.700 0.010 0.000 0.746 501 E HN 0.686 nan 8.360 nan 0.000 0.452 502 Q N 0.015 119.821 119.800 0.009 0.000 2.119 502 Q HA -0.122 4.217 4.340 -0.002 0.000 0.201 502 Q C 2.260 178.266 176.000 0.010 0.000 0.972 502 Q CA 0.686 56.495 55.803 0.010 0.000 0.847 502 Q CB -0.133 28.611 28.738 0.010 0.000 0.903 502 Q HN 0.122 nan 8.270 nan 0.000 0.433 503 L N 1.374 122.600 121.223 0.006 0.000 1.989 503 L HA -0.221 4.118 4.340 -0.002 0.000 0.211 503 L C 1.855 178.731 176.870 0.010 0.000 1.071 503 L CA 1.917 56.760 54.840 0.004 0.000 0.749 503 L CB -0.297 41.759 42.059 -0.006 0.000 0.890 503 L HN -0.008 nan 8.230 nan 0.000 0.431 504 K N -0.665 119.742 120.400 0.011 0.000 2.032 504 K HA -0.138 4.181 4.320 -0.002 0.000 0.209 504 K C 2.009 178.617 176.600 0.015 0.000 1.048 504 K CA 1.373 57.669 56.287 0.014 0.000 0.927 504 K CB -0.845 31.663 32.500 0.014 0.000 0.712 504 K HN 0.575 nan 8.250 nan 0.000 0.441 505 G N 0.737 109.545 108.800 0.014 0.000 2.421 505 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.216 505 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.216 505 G C 1.551 176.461 174.900 0.016 0.000 1.171 505 G CA 1.015 46.123 45.100 0.014 0.000 0.775 505 G HN 0.199 nan 8.290 nan 0.000 0.543 506 S N 0.535 116.245 115.700 0.018 0.000 2.356 506 S HA -0.033 4.435 4.470 -0.002 0.000 0.223 506 S C 2.310 176.924 174.600 0.022 0.000 1.032 506 S CA 0.926 59.140 58.200 0.022 0.000 1.005 506 S CB -0.347 62.867 63.200 0.024 0.000 0.867 506 S HN 0.292 nan 8.310 nan 0.000 0.449 507 L N 1.277 122.512 121.223 0.020 0.000 2.012 507 L HA -0.226 4.113 4.340 -0.002 0.000 0.210 507 L C 2.894 179.774 176.870 0.016 0.000 1.073 507 L CA 1.611 56.463 54.840 0.020 0.000 0.748 507 L CB -0.517 41.556 42.059 0.024 0.000 0.891 507 L HN 0.412 nan 8.230 nan 0.000 0.431 508 Q N -0.013 119.797 119.800 0.015 0.000 2.096 508 Q HA -0.287 4.051 4.340 -0.002 0.000 0.204 508 Q C 2.130 178.137 176.000 0.011 0.000 0.982 508 Q CA 2.010 57.820 55.803 0.012 0.000 0.850 508 Q CB -0.009 28.736 28.738 0.012 0.000 0.901 508 Q HN 0.465 nan 8.270 nan 0.000 0.422 509 E N -0.692 119.517 120.200 0.014 0.000 2.072 509 E HA -0.182 4.166 4.350 -0.002 0.000 0.191 509 E C 1.839 178.448 176.600 0.015 0.000 0.985 509 E CA 0.864 57.273 56.400 0.015 0.000 0.801 509 E CB -0.134 29.577 29.700 0.018 0.000 0.750 509 E HN 0.472 nan 8.360 nan 0.000 0.452 510 A N 1.067 123.898 122.820 0.018 0.000 1.877 510 A HA -0.183 4.135 4.320 -0.002 0.000 0.216 510 A C 2.080 179.666 177.584 0.004 0.000 1.186 510 A CA 1.091 53.139 52.037 0.018 0.000 0.620 510 A CB -0.683 18.330 19.000 0.022 0.000 0.822 510 A HN 0.285 nan 8.150 nan 0.000 0.443 511 L N 0.839 122.062 121.223 -0.001 0.000 2.013 511 L HA -0.192 4.147 4.340 -0.002 0.000 0.212 511 L C 2.893 179.758 176.870 -0.009 0.000 1.073 511 L CA 2.642 57.476 54.840 -0.010 0.000 0.753 511 L CB -1.077 40.978 42.059 -0.007 0.000 0.890 511 L HN 0.624 nan 8.230 nan 0.000 0.432 512 S N -1.541 114.158 115.700 -0.002 0.000 2.527 512 S HA 0.248 4.716 4.470 -0.002 0.000 0.222 512 S C 1.095 175.696 174.600 0.002 0.000 0.985 512 S CA 0.085 58.285 58.200 -0.001 0.000 0.921 512 S CB -0.466 62.735 63.200 0.002 0.000 0.772 512 S HN 0.304 nan 8.310 nan 0.000 0.529 513 A N 2.031 124.853 122.820 0.005 0.000 2.483 513 A HA 0.385 4.703 4.320 -0.002 0.000 0.238 513 A C 1.135 178.722 177.584 0.006 0.000 1.070 513 A CA -0.393 51.650 52.037 0.009 0.000 0.770 513 A CB 0.326 19.337 19.000 0.018 0.000 1.008 513 A HN 0.243 nan 8.150 nan 0.000 0.497 514 K N 1.303 121.707 120.400 0.007 0.000 2.426 514 K HA 0.108 4.426 4.320 -0.002 0.000 0.193 514 K C 0.914 177.519 176.600 0.008 0.000 1.028 514 K CA 0.943 57.233 56.287 0.005 0.000 1.047 514 K CB 0.191 32.693 32.500 0.003 0.000 0.821 514 K HN 0.760 nan 8.250 nan 0.000 0.513 515 G N 1.961 110.770 108.800 0.016 0.000 3.140 515 G HA2 0.410 4.369 3.960 -0.002 0.000 0.271 515 G HA3 0.410 4.369 3.960 -0.002 0.000 0.271 515 G C -2.920 172.007 174.900 0.045 0.000 1.370 515 G CA -1.293 43.822 45.100 0.025 0.000 1.014 515 G HN -0.208 nan 8.290 nan 0.000 0.541 516 P HA 0.367 nan 4.420 nan 0.000 0.271 516 P C -0.852 176.544 177.300 0.159 0.000 1.218 516 P CA -0.107 63.080 63.100 0.145 0.000 0.780 516 P CB 1.672 33.524 31.700 0.253 0.000 0.901 517 V N 3.458 123.489 119.914 0.195 0.000 2.808 517 V HA 0.363 4.482 4.120 -0.002 0.000 0.308 517 V C -0.098 176.159 176.094 0.272 0.000 1.099 517 V CA -0.745 61.661 62.300 0.177 0.000 0.920 517 V CB 2.174 34.054 31.823 0.095 0.000 1.014 517 V HN 0.476 nan 8.190 nan 0.000 0.425 518 L N 5.578 126.941 121.223 0.233 0.000 2.322 518 L HA 0.719 5.058 4.340 -0.002 0.000 0.281 518 L C -1.143 175.815 176.870 0.147 0.000 1.014 518 L CA -0.378 54.604 54.840 0.238 0.000 0.815 518 L CB 1.336 43.499 42.059 0.172 0.000 1.247 518 L HN 0.615 nan 8.230 nan 0.000 0.421 519 I N 4.592 125.237 120.570 0.124 0.000 2.382 519 I HA 0.314 4.482 4.170 -0.002 0.000 0.286 519 I C -0.346 175.801 176.117 0.051 0.000 1.002 519 I CA -0.452 60.895 61.300 0.077 0.000 1.135 519 I CB 1.828 39.862 38.000 0.056 0.000 1.288 519 I HN 0.619 nan 8.210 nan 0.000 0.448 520 E N 6.345 126.579 120.200 0.057 0.000 2.105 520 E HA 0.359 4.708 4.350 -0.002 0.000 0.285 520 E C -1.261 175.349 176.600 0.017 0.000 1.055 520 E CA -0.491 55.931 56.400 0.037 0.000 0.843 520 E CB 1.194 30.970 29.700 0.126 0.000 1.067 520 E HN 0.356 nan 8.360 nan 0.000 0.398 521 V N 3.887 123.788 119.914 -0.021 0.000 2.394 521 V HA 0.157 4.275 4.120 -0.002 0.000 0.282 521 V C -0.035 176.045 176.094 -0.025 0.000 1.031 521 V CA -0.745 61.540 62.300 -0.025 0.000 0.881 521 V CB 1.678 33.471 31.823 -0.050 0.000 0.982 521 V HN 0.622 nan 8.190 nan 0.000 0.451 522 S N 3.901 119.592 115.700 -0.014 0.000 2.405 522 S HA 0.364 4.832 4.470 -0.002 0.000 0.291 522 S C 0.524 175.101 174.600 -0.039 0.000 1.137 522 S CA -0.492 57.701 58.200 -0.012 0.000 1.061 522 S CB 0.271 63.469 63.200 -0.003 0.000 1.001 522 S HN 0.975 nan 8.310 nan 0.000 0.507 523 T N -0.621 113.910 114.554 -0.040 0.000 2.952 523 T HA 0.666 5.014 4.350 -0.002 0.000 0.286 523 T C 0.301 174.964 174.700 -0.062 0.000 1.024 523 T CA -1.007 61.055 62.100 -0.063 0.000 1.029 523 T CB 0.953 69.790 68.868 -0.051 0.000 1.094 523 T HN 0.391 nan 8.240 nan 0.000 0.515 524 V N -0.771 119.081 119.914 -0.104 0.000 2.649 524 V HA 0.757 4.876 4.120 -0.002 0.000 0.292 524 V C 0.589 176.677 176.094 -0.009 0.000 1.055 524 V CA -0.256 61.990 62.300 -0.090 0.000 1.023 524 V CB -0.315 31.388 31.823 -0.201 0.000 0.992 524 V HN 1.388 nan 8.190 nan 0.000 0.480 525 S N 0.000 115.710 115.700 0.017 0.000 2.498 525 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 525 S CA 0.000 58.232 58.200 0.054 0.000 1.107 525 S CB 0.000 63.233 63.200 0.055 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517