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 3ae7_1_A DATA FIRST_RESID 10 DATA SEQUENCE STQYPVVDHE FDAVVVGAGG AGLRAAFGLS EAGFNTACVT KLFPTRSHTV DATA SEQUENCE AAQGGINAAL GNMEEDNWRW HFYDTVKGSD WLGDQDAIHY MTEQAPASVV DATA SEQUENCE ELENYGMPFS RTEDGKIYQR AFGGQSLKFG KGGQAHRCCC VADRTGHSLL DATA SEQUENCE HTLYGRSLRY DTSYFVEYFA LDLLMENGEC RGVIALCIED GSIHRIRARN DATA SEQUENCE TVVATGGYGR TYFSCTSAHT STGDGTAMVT RAGLPCQDLE FVQFHPTGIY DATA SEQUENCE GAGCLITEGC RGEGGILINS QGERFMERYA PVAKDLASRD VVSRSMTLEI DATA SEQUENCE REGRGCGPEK DHVYLQLHHL PPEQLAVRLP GISETAMIFA GVDVTKEPIP DATA SEQUENCE VLPTVHYNMG GIPTNYKGQV LRHVNGQDQV VPGLYACGEA ACASVHGANR DATA SEQUENCE LGANSLLDLV VFGRACALSI AESCRPGDKV PSIKPNAGEE SVMNLDKLRF DATA SEQUENCE ANGTIRTSEL RLSMQKSMQS HAAVFRVGSV LQEGCEKILR LYGDLQHLKT DATA SEQUENCE FDRGMVWNTD LVETLELQNL MLCALQTIYG AEARKESRGA HAREDFKERV DATA SEQUENCE DEYDYSKPIQ GQQKKPFQEH WRKHTLSYVD VKTGKVSLEY RPVIDKTLNE DATA SEQUENCE ADCATVPPAI RSY 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.644 174.600 0.073 0.000 1.055 10 S CA 0.000 58.272 58.200 0.120 0.000 1.107 10 S CB 0.000 63.251 63.200 0.085 0.000 0.593 11 T N 0.857 115.438 114.554 0.046 0.000 10.222 11 T HA -0.363 -2.528 4.350 -10.858 0.000 0.382 11 T C 1.357 176.039 174.700 -0.031 0.000 1.698 11 T CA 2.239 64.343 62.100 0.008 0.000 2.662 11 T CB -0.870 67.996 68.868 -0.002 0.000 2.712 11 T HN 0.616 nan 8.240 nan 0.000 1.066 12 Q N 0.533 120.291 119.800 -0.071 0.000 2.226 12 Q HA 0.215 -1.960 4.340 -10.858 0.000 0.199 12 Q C 0.071 175.870 176.000 -0.334 0.000 0.945 12 Q CA 0.932 56.586 55.803 -0.248 0.000 0.861 12 Q CB 0.231 28.728 28.738 -0.401 0.000 0.953 12 Q HN 0.743 nan 8.270 nan 0.000 0.490 13 Y N 1.537 121.847 120.300 0.017 0.000 2.328 13 Y HA 0.461 -1.504 4.550 -10.858 0.000 0.337 13 Y C -1.971 173.919 175.900 -0.017 0.000 1.008 13 Y CA -2.867 55.233 58.100 0.000 0.000 1.129 13 Y CB 0.996 39.455 38.460 -0.000 0.000 1.185 13 Y HN 0.120 nan 8.280 nan 0.000 0.476 14 P HA 0.183 nan 4.420 nan 0.000 0.292 14 P C -0.909 176.378 177.300 -0.022 0.000 1.326 14 P CA -0.535 62.582 63.100 0.028 0.000 0.787 14 P CB 0.862 32.567 31.700 0.009 0.000 0.903 15 V N 2.286 122.193 119.914 -0.012 0.000 2.461 15 V HA 0.445 -1.950 4.120 -10.858 0.000 0.275 15 V C -0.025 176.035 176.094 -0.056 0.000 1.047 15 V CA -0.551 61.726 62.300 -0.039 0.000 0.955 15 V CB 1.196 33.017 31.823 -0.004 0.000 0.988 15 V HN 0.216 nan 8.190 nan 0.000 0.471 16 V N 4.535 124.396 119.914 -0.088 0.000 2.407 16 V HA 0.418 -1.978 4.120 -10.858 0.000 0.291 16 V C -0.499 175.565 176.094 -0.050 0.000 1.018 16 V CA -0.455 61.807 62.300 -0.062 0.000 0.842 16 V CB 1.461 33.287 31.823 0.006 0.000 0.996 16 V HN 0.931 nan 8.190 nan 0.000 0.426 17 D N 3.556 123.898 120.400 -0.096 0.000 2.264 17 D HA 0.362 -1.513 4.640 -10.858 0.000 0.250 17 D C -0.330 175.873 176.300 -0.162 0.000 1.113 17 D CA -0.081 53.889 54.000 -0.049 0.000 0.871 17 D CB 0.949 41.742 40.800 -0.011 0.000 1.167 17 D HN 0.520 nan 8.370 nan 0.000 0.447 18 H N 1.081 120.243 119.070 0.154 0.000 2.495 18 H HA 0.292 -1.668 4.556 -10.858 0.000 0.348 18 H C -0.474 174.955 175.328 0.168 0.000 1.113 18 H CA -0.426 55.751 56.048 0.215 0.000 1.195 18 H CB 2.179 32.192 29.762 0.419 0.000 1.521 18 H HN 0.388 nan 8.280 nan 0.000 0.509 19 E N 3.158 123.407 120.200 0.081 0.000 2.129 19 E HA 0.381 -1.784 4.350 -10.858 0.000 0.268 19 E C -1.333 175.114 176.600 -0.256 0.000 0.900 19 E CA -0.360 56.033 56.400 -0.012 0.000 0.755 19 E CB 0.803 30.468 29.700 -0.058 0.000 1.117 19 E HN 0.308 nan 8.360 nan 0.000 0.410 20 F N 1.271 121.274 119.950 0.090 0.000 2.675 20 F HA 0.269 -1.719 4.527 -10.858 0.000 0.324 20 F C 0.911 176.755 175.800 0.074 0.000 1.106 20 F CA -0.734 57.315 58.000 0.081 0.000 0.970 20 F CB 1.613 40.661 39.000 0.080 0.000 1.385 20 F HN 0.381 nan 8.300 nan 0.000 0.489 21 D N 0.421 121.012 120.400 0.319 0.000 2.216 21 D HA 0.273 -1.602 4.640 -10.858 0.000 0.208 21 D C 0.035 176.446 176.300 0.184 0.000 0.960 21 D CA 0.938 55.090 54.000 0.252 0.000 0.861 21 D CB 0.417 41.426 40.800 0.348 0.000 0.985 21 D HN 0.395 nan 8.370 nan 0.000 0.493 22 A N 0.103 123.011 122.820 0.147 0.000 2.547 22 A HA 0.561 -1.634 4.320 -10.858 0.000 0.297 22 A C -1.274 176.281 177.584 -0.048 0.000 1.056 22 A CA -0.564 51.476 52.037 0.004 0.000 0.688 22 A CB 1.816 20.738 19.000 -0.130 0.000 1.282 22 A HN -0.114 nan 8.150 nan 0.000 0.400 23 V N 1.668 121.535 119.914 -0.077 0.000 2.487 23 V HA 0.553 -1.842 4.120 -10.858 0.000 0.298 23 V C -0.564 175.459 176.094 -0.117 0.000 1.028 23 V CA -0.573 61.645 62.300 -0.137 0.000 0.860 23 V CB 1.628 33.376 31.823 -0.126 0.000 0.991 23 V HN 0.701 nan 8.190 nan 0.000 0.427 24 V N 5.406 125.241 119.914 -0.131 0.000 2.350 24 V HA 0.332 -2.063 4.120 -10.858 0.000 0.285 24 V C -0.063 175.985 176.094 -0.076 0.000 1.014 24 V CA -0.646 61.598 62.300 -0.092 0.000 0.831 24 V CB 1.710 33.482 31.823 -0.084 0.000 1.000 24 V HN 0.623 nan 8.190 nan 0.000 0.433 25 V N 4.440 124.313 119.914 -0.068 0.000 2.356 25 V HA 0.791 -1.604 4.120 -10.858 0.000 0.258 25 V C 0.808 176.875 176.094 -0.044 0.000 1.065 25 V CA 0.496 62.755 62.300 -0.069 0.000 0.935 25 V CB 0.327 32.097 31.823 -0.089 0.000 1.061 25 V HN 1.188 nan 8.190 nan 0.000 0.484 26 G N 3.745 112.529 108.800 -0.026 0.000 2.542 26 G HA2 0.412 -2.143 3.960 -10.858 0.000 0.391 26 G HA3 0.412 -2.143 3.960 -10.858 0.000 0.391 26 G C -0.189 174.722 174.900 0.019 0.000 1.551 26 G CA -0.132 44.964 45.100 -0.006 0.000 0.946 26 G HN 1.003 nan 8.290 nan 0.000 0.662 27 A N 0.849 123.674 122.820 0.009 0.000 2.431 27 A HA 0.742 -1.453 4.320 -10.858 0.000 0.239 27 A C 1.289 178.863 177.584 -0.017 0.000 1.230 27 A CA 1.128 53.164 52.037 -0.000 0.000 0.928 27 A CB 0.304 19.258 19.000 -0.077 0.000 1.006 27 A HN 2.013 nan 8.150 nan 0.000 0.520 28 G N -1.506 107.299 108.800 0.009 0.000 2.367 28 G HA2 0.473 -2.082 3.960 -10.858 0.000 0.314 28 G HA3 0.473 -2.082 3.960 -10.858 0.000 0.314 28 G C 1.105 176.041 174.900 0.059 0.000 1.130 28 G CA 0.164 45.277 45.100 0.022 0.000 0.864 28 G HN 0.957 nan 8.290 nan 0.000 0.486 29 G N 1.908 110.751 108.800 0.071 0.000 3.159 29 G HA2 -0.321 -2.876 3.960 -10.858 0.000 0.338 29 G HA3 -0.321 -2.876 3.960 -10.858 0.000 0.338 29 G C 1.938 176.911 174.900 0.121 0.000 1.618 29 G CA 2.626 47.788 45.100 0.103 0.000 1.726 29 G HN 1.699 nan 8.290 nan 0.000 0.932 30 A N 0.089 122.973 122.820 0.107 0.000 1.845 30 A HA 0.211 -1.984 4.320 -10.858 0.000 0.215 30 A C 2.985 180.615 177.584 0.076 0.000 1.195 30 A CA 2.834 54.933 52.037 0.103 0.000 0.616 30 A CB -1.371 17.694 19.000 0.109 0.000 0.832 30 A HN 1.697 nan 8.150 nan 0.000 0.443 31 G N -0.626 108.212 108.800 0.063 0.000 2.422 31 G HA2 -0.139 -2.694 3.960 -10.858 0.000 0.218 31 G HA3 -0.139 -2.694 3.960 -10.858 0.000 0.218 31 G C 1.502 176.448 174.900 0.076 0.000 1.146 31 G CA 1.238 46.365 45.100 0.045 0.000 0.769 31 G HN 0.415 nan 8.290 nan 0.000 0.547 32 L N 0.380 121.679 121.223 0.126 0.000 2.056 32 L HA 0.117 -2.059 4.340 -10.858 0.000 0.207 32 L C 2.750 179.815 176.870 0.325 0.000 1.078 32 L CA 1.822 56.800 54.840 0.230 0.000 0.749 32 L CB -0.424 41.761 42.059 0.210 0.000 0.901 32 L HN 0.194 nan 8.230 nan 0.000 0.433 33 R N -0.123 120.513 120.500 0.226 0.000 2.092 33 R HA -0.034 -2.209 4.340 -10.858 0.000 0.231 33 R C 2.073 178.234 176.300 -0.232 0.000 1.119 33 R CA 1.576 57.717 56.100 0.069 0.000 0.970 33 R CB -0.740 29.616 30.300 0.094 0.000 0.864 33 R HN 0.424 nan 8.270 nan 0.000 0.440 34 A N -0.027 122.731 122.820 -0.104 0.000 1.968 34 A HA 0.089 -2.106 4.320 -10.858 0.000 0.217 34 A C 2.276 179.750 177.584 -0.182 0.000 1.169 34 A CA 1.398 53.337 52.037 -0.163 0.000 0.638 34 A CB -0.796 18.142 19.000 -0.103 0.000 0.812 34 A HN 0.462 nan 8.150 nan 0.000 0.446 35 A N 0.148 122.923 122.820 -0.074 0.000 1.832 35 A HA 0.037 -2.158 4.320 -10.858 0.000 0.214 35 A C 2.002 179.563 177.584 -0.039 0.000 1.200 35 A CA 1.591 53.605 52.037 -0.039 0.000 0.610 35 A CB -0.965 18.078 19.000 0.073 0.000 0.842 35 A HN 1.068 nan 8.150 nan 0.000 0.444 36 F N 0.268 120.202 119.950 -0.026 0.000 2.558 36 F HA 0.254 -1.734 4.527 -10.858 0.000 0.298 36 F C 1.894 177.560 175.800 -0.223 0.000 1.119 36 F CA 0.678 58.633 58.000 -0.075 0.000 1.451 36 F CB -0.863 38.181 39.000 0.075 0.000 1.091 36 F HN 0.115 nan 8.300 nan 0.000 0.563 37 G N 1.686 109.953 108.800 -0.889 0.000 2.422 37 G HA2 -0.150 -2.705 3.960 -10.858 0.000 0.218 37 G HA3 -0.150 -2.705 3.960 -10.858 0.000 0.218 37 G C 1.671 176.349 174.900 -0.369 0.000 1.146 37 G CA 1.072 45.758 45.100 -0.691 0.000 0.769 37 G HN 0.472 nan 8.290 nan 0.000 0.547 38 L N 0.599 121.648 121.223 -0.291 0.000 2.109 38 L HA -0.009 -2.184 4.340 -10.858 0.000 0.207 38 L C 3.110 179.979 176.870 -0.001 0.000 1.086 38 L CA 0.914 55.645 54.840 -0.182 0.000 0.760 38 L CB -0.170 41.730 42.059 -0.265 0.000 0.910 38 L HN 0.146 nan 8.230 nan 0.000 0.437 39 S N -0.693 114.957 115.700 -0.083 0.000 2.402 39 S HA -0.207 -2.252 4.470 -10.858 0.000 0.229 39 S C 1.852 176.353 174.600 -0.166 0.000 1.021 39 S CA 1.073 59.248 58.200 -0.043 0.000 0.974 39 S CB -0.118 63.086 63.200 0.006 0.000 0.800 39 S HN 0.405 nan 8.310 nan 0.000 0.484 40 E N 1.074 121.017 120.200 -0.430 0.000 2.150 40 E HA -0.057 -2.223 4.350 -10.858 0.000 0.193 40 E C 2.020 178.550 176.600 -0.117 0.000 0.985 40 E CA 0.789 56.920 56.400 -0.448 0.000 0.814 40 E CB -0.141 29.235 29.700 -0.542 0.000 0.752 40 E HN 0.498 nan 8.360 nan 0.000 0.466 41 A N 0.143 122.941 122.820 -0.036 0.000 2.066 41 A HA 0.090 -2.105 4.320 -10.858 0.000 0.218 41 A C 1.635 179.248 177.584 0.048 0.000 1.157 41 A CA 1.277 53.363 52.037 0.082 0.000 0.670 41 A CB -0.224 18.914 19.000 0.231 0.000 0.804 41 A HN 0.439 nan 8.150 nan 0.000 0.453 42 G N -2.464 106.356 108.800 0.034 0.000 2.186 42 G HA2 -0.076 -2.631 3.960 -10.858 0.000 0.130 42 G HA3 -0.076 -2.631 3.960 -10.858 0.000 0.130 42 G C -0.314 174.434 174.900 -0.253 0.000 1.031 42 G CA -0.341 44.693 45.100 -0.110 0.000 0.697 42 G HN 0.242 nan 8.290 nan 0.000 0.494 43 F N 0.557 120.488 119.950 -0.032 0.000 2.480 43 F HA 0.470 -1.518 4.527 -10.857 0.000 0.329 43 F C 0.715 176.526 175.800 0.018 0.000 1.091 43 F CA -1.081 56.911 58.000 -0.013 0.000 0.972 43 F CB 1.559 40.537 39.000 -0.037 0.000 1.150 43 F HN 0.062 nan 8.300 nan 0.000 0.467 44 N N 2.072 120.909 118.700 0.229 0.000 2.466 44 N HA 0.080 -1.695 4.740 -10.858 0.000 0.263 44 N C -1.099 174.615 175.510 0.340 0.000 1.178 44 N CA -0.008 53.188 53.050 0.243 0.000 0.983 44 N CB 0.282 38.881 38.487 0.187 0.000 1.331 44 N HN 0.574 nan 8.380 nan 0.000 0.500 45 T N 1.734 116.399 114.554 0.184 0.000 2.795 45 T HA 0.483 -1.682 4.350 -10.858 0.000 0.282 45 T C -0.008 174.559 174.700 -0.222 0.000 0.980 45 T CA -0.642 61.462 62.100 0.006 0.000 1.012 45 T CB 1.658 70.490 68.868 -0.060 0.000 0.936 45 T HN 0.470 nan 8.240 nan 0.000 0.457 46 A N 1.400 123.922 122.820 -0.497 0.000 2.312 46 A HA 0.631 -1.564 4.320 -10.858 0.000 0.326 46 A C -0.068 177.292 177.584 -0.374 0.000 1.172 46 A CA -0.728 50.873 52.037 -0.726 0.000 0.821 46 A CB 0.738 18.941 19.000 -1.329 0.000 1.166 46 A HN 0.955 nan 8.150 nan 0.000 0.493 47 C N 3.713 122.848 119.300 -0.275 0.000 2.362 47 C HA 0.571 -1.484 4.460 -10.858 0.000 0.309 47 C C -0.402 174.590 174.990 0.003 0.000 1.110 47 C CA -0.388 58.557 59.018 -0.122 0.000 1.485 47 C CB -1.090 26.604 27.740 -0.077 0.000 1.949 47 C HN 0.657 nan 8.230 nan 0.000 0.419 48 V N 5.880 125.760 119.914 -0.055 0.000 2.455 48 V HA 0.594 -1.802 4.120 -10.858 0.000 0.273 48 V C 0.646 176.736 176.094 -0.006 0.000 1.045 48 V CA 0.455 62.717 62.300 -0.062 0.000 0.976 48 V CB 1.300 33.014 31.823 -0.182 0.000 0.993 48 V HN 0.916 nan 8.190 nan 0.000 0.475 49 T N 3.429 118.019 114.554 0.060 0.000 2.956 49 T HA 0.361 -1.804 4.350 -10.858 0.000 0.312 49 T C 0.550 175.318 174.700 0.112 0.000 1.151 49 T CA -0.556 61.576 62.100 0.053 0.000 1.024 49 T CB 1.746 70.637 68.868 0.039 0.000 1.140 49 T HN 0.785 nan 8.240 nan 0.000 0.473 50 K N 3.350 123.795 120.400 0.074 0.000 2.305 50 K HA 0.297 -1.898 4.320 -10.858 0.000 0.199 50 K C 0.511 177.180 176.600 0.115 0.000 1.047 50 K CA 0.284 56.637 56.287 0.110 0.000 0.976 50 K CB 0.044 32.625 32.500 0.136 0.000 0.765 50 K HN 0.451 nan 8.250 nan 0.000 0.474 51 L N 0.505 121.791 121.223 0.105 0.000 2.331 51 L HA 0.388 -1.787 4.340 -10.858 0.000 0.268 51 L C -0.274 176.677 176.870 0.135 0.000 1.015 51 L CA -1.536 53.384 54.840 0.133 0.000 0.807 51 L CB 0.843 42.963 42.059 0.103 0.000 1.293 51 L HN -0.073 nan 8.230 nan 0.000 0.451 52 F N 2.134 122.089 119.950 0.009 0.000 2.443 52 F HA 0.242 -1.746 4.527 -10.858 0.000 0.353 52 F C -1.515 174.176 175.800 -0.182 0.000 1.101 52 F CA -1.575 56.374 58.000 -0.085 0.000 1.226 52 F CB 0.922 39.867 39.000 -0.092 0.000 1.140 52 F HN 0.271 nan 8.300 nan 0.000 0.557 53 P HA -0.224 nan 4.420 nan 0.000 0.219 53 P C 1.378 178.321 177.300 -0.594 0.000 1.153 53 P CA 2.379 64.991 63.100 -0.814 0.000 0.865 53 P CB -0.033 30.899 31.700 -1.280 0.000 0.788 54 T N -0.993 113.205 114.554 -0.593 0.000 2.857 54 T HA -0.045 -2.211 4.350 -10.858 0.000 0.266 54 T C 1.556 176.229 174.700 -0.046 0.000 1.048 54 T CA 0.823 62.751 62.100 -0.287 0.000 1.139 54 T CB -0.356 68.412 68.868 -0.167 0.000 0.874 54 T HN 0.078 nan 8.240 nan 0.000 0.455 55 R N 1.953 122.500 120.500 0.079 0.000 2.357 55 R HA 0.185 -1.990 4.340 -10.858 0.000 0.202 55 R C 0.992 177.341 176.300 0.083 0.000 1.047 55 R CA 0.057 56.224 56.100 0.111 0.000 1.034 55 R CB -0.708 29.688 30.300 0.161 0.000 0.875 55 R HN 0.290 nan 8.270 nan 0.000 0.473 56 S N 0.446 116.162 115.700 0.027 0.000 2.580 56 S HA -0.040 -2.085 4.470 -10.858 0.000 0.266 56 S C 1.129 175.795 174.600 0.110 0.000 1.354 56 S CA -0.339 57.890 58.200 0.047 0.000 1.008 56 S CB 0.688 63.886 63.200 -0.003 0.000 0.898 56 S HN 0.346 nan 8.310 nan 0.000 0.555 57 H N 1.756 120.829 119.070 0.004 0.000 2.462 57 H HA -0.044 -2.004 4.556 -10.859 0.000 0.292 57 H C 2.292 177.629 175.328 0.014 0.000 1.049 57 H CA 1.889 57.939 56.048 0.004 0.000 1.334 57 H CB -0.617 29.133 29.762 -0.020 0.000 1.404 57 H HN 0.749 nan 8.280 nan 0.000 0.544 58 T N -2.765 111.799 114.554 0.016 0.000 2.946 58 T HA -0.119 -2.284 4.350 -10.858 0.000 0.271 58 T C 2.166 176.828 174.700 -0.063 0.000 1.104 58 T CA 1.066 63.142 62.100 -0.040 0.000 1.114 58 T CB -0.986 67.894 68.868 0.019 0.000 0.867 58 T HN 0.117 nan 8.240 nan 0.000 0.513 59 V N 1.818 121.714 119.914 -0.030 0.000 2.343 59 V HA -0.060 -2.456 4.120 -10.858 0.000 0.247 59 V C 3.108 179.200 176.094 -0.004 0.000 1.051 59 V CA 1.653 63.980 62.300 0.046 0.000 1.036 59 V CB -1.280 30.616 31.823 0.123 0.000 0.654 59 V HN 0.724 nan 8.190 nan 0.000 0.451 60 A N -0.246 122.471 122.820 -0.170 0.000 2.248 60 A HA 0.278 -1.917 4.320 -10.858 0.000 0.210 60 A C 1.342 178.819 177.584 -0.180 0.000 1.174 60 A CA 0.802 52.711 52.037 -0.214 0.000 0.750 60 A CB -0.584 18.178 19.000 -0.396 0.000 0.780 60 A HN 0.578 nan 8.150 nan 0.000 0.478 61 A N -0.495 122.238 122.820 -0.145 0.000 2.454 61 A HA 0.440 -1.755 4.320 -10.858 0.000 0.260 61 A C 0.734 178.323 177.584 0.009 0.000 1.106 61 A CA 0.023 52.028 52.037 -0.052 0.000 0.780 61 A CB 0.204 19.185 19.000 -0.031 0.000 1.044 61 A HN 0.577 nan 8.150 nan 0.000 0.498 62 Q N 2.192 122.016 119.800 0.041 0.000 2.404 62 Q HA 0.101 -2.075 4.340 -10.858 0.000 0.262 62 Q C 1.972 178.037 176.000 0.108 0.000 0.846 62 Q CA 0.551 56.393 55.803 0.064 0.000 0.978 62 Q CB 0.379 29.150 28.738 0.054 0.000 1.156 62 Q HN 0.875 nan 8.270 nan 0.000 0.548 63 G N 1.019 109.911 108.800 0.152 0.000 2.575 63 G HA2 0.204 -2.351 3.960 -10.858 0.000 0.215 63 G HA3 0.204 -2.352 3.960 -10.858 0.000 0.215 63 G C 0.604 175.507 174.900 0.004 0.000 1.262 63 G CA 0.977 46.206 45.100 0.215 0.000 0.807 63 G HN 0.480 nan 8.290 nan 0.000 0.567 64 G N -1.663 107.054 108.800 -0.139 0.000 2.336 64 G HA2 0.368 -2.188 3.960 -10.858 0.000 0.286 64 G HA3 0.368 -2.188 3.960 -10.858 0.000 0.286 64 G C -1.976 172.853 174.900 -0.119 0.000 1.269 64 G CA -0.197 44.839 45.100 -0.107 0.000 0.873 64 G HN 0.560 nan 8.290 nan 0.000 0.494 65 I N 1.047 121.587 120.570 -0.051 0.000 2.569 65 I HA 0.437 -1.908 4.170 -10.858 0.000 0.290 65 I C -1.282 174.791 176.117 -0.074 0.000 1.088 65 I CA -0.905 60.382 61.300 -0.021 0.000 1.047 65 I CB 1.834 39.889 38.000 0.092 0.000 1.237 65 I HN 0.434 nan 8.210 nan 0.000 0.421 66 N N 6.041 124.689 118.700 -0.087 0.000 2.458 66 N HA 0.661 -1.114 4.740 -10.858 0.000 0.270 66 N C -0.627 174.769 175.510 -0.190 0.000 1.102 66 N CA -0.110 52.839 53.050 -0.168 0.000 0.967 66 N CB 1.552 39.956 38.487 -0.139 0.000 1.078 66 N HN 0.636 nan 8.380 nan 0.000 0.471 67 A N 0.827 123.494 122.820 -0.254 0.000 2.513 67 A HA 0.675 -1.520 4.320 -10.858 0.000 0.296 67 A C -0.640 176.824 177.584 -0.199 0.000 1.052 67 A CA -0.818 51.095 52.037 -0.207 0.000 0.714 67 A CB 0.860 19.760 19.000 -0.167 0.000 1.279 67 A HN 0.553 nan 8.150 nan 0.000 0.397 68 A N 2.686 125.422 122.820 -0.139 0.000 3.091 68 A HA 0.494 -1.701 4.320 -10.858 0.000 0.264 68 A C 0.778 178.327 177.584 -0.059 0.000 1.673 68 A CA -0.176 51.817 52.037 -0.073 0.000 1.362 68 A CB -1.031 17.979 19.000 0.016 0.000 1.137 68 A HN 0.867 nan 8.150 nan 0.000 0.617 69 L N 0.753 121.923 121.223 -0.089 0.000 2.240 69 L HA 0.119 -2.056 4.340 -10.858 0.000 0.211 69 L C 1.668 178.501 176.870 -0.062 0.000 1.106 69 L CA 0.878 55.666 54.840 -0.087 0.000 0.793 69 L CB -0.205 41.782 42.059 -0.120 0.000 0.927 69 L HN 0.777 nan 8.230 nan 0.000 0.446 70 G N 0.703 109.474 108.800 -0.049 0.000 2.401 70 G HA2 -0.241 -2.796 3.960 -10.858 0.000 0.283 70 G HA3 -0.241 -2.796 3.960 -10.858 0.000 0.283 70 G C 0.242 175.126 174.900 -0.026 0.000 1.117 70 G CA 0.321 45.406 45.100 -0.025 0.000 1.051 70 G HN 0.313 nan 8.290 nan 0.000 0.510 71 N N -0.499 118.179 118.700 -0.036 0.000 2.454 71 N HA 0.162 -1.613 4.740 -10.858 0.000 0.177 71 N C 2.307 177.800 175.510 -0.029 0.000 1.049 71 N CA 0.952 53.981 53.050 -0.036 0.000 0.887 71 N CB -0.088 38.367 38.487 -0.053 0.000 1.095 71 N HN 0.437 nan 8.380 nan 0.000 0.446 72 M N 0.568 120.146 119.600 -0.038 0.000 2.224 72 M HA 0.114 -1.921 4.480 -10.858 0.000 0.253 72 M C 0.818 177.103 176.300 -0.025 0.000 1.115 72 M CA 1.102 56.367 55.300 -0.057 0.000 1.168 72 M CB -0.865 31.666 32.600 -0.115 0.000 1.288 72 M HN 0.081 nan 8.290 nan 0.000 0.446 73 E N 1.797 122.011 120.200 0.022 0.000 2.299 73 E HA 0.328 -1.837 4.350 -10.858 0.000 0.260 73 E C -1.066 175.578 176.600 0.074 0.000 0.944 73 E CA -0.541 55.894 56.400 0.058 0.000 0.815 73 E CB 1.135 30.899 29.700 0.106 0.000 1.252 73 E HN 0.260 nan 8.360 nan 0.000 0.418 74 E N 1.248 121.500 120.200 0.087 0.000 2.299 74 E HA 0.260 -1.905 4.350 -10.858 0.000 0.272 74 E C -0.919 175.768 176.600 0.145 0.000 1.043 74 E CA -0.210 56.238 56.400 0.080 0.000 0.895 74 E CB 0.669 30.409 29.700 0.066 0.000 1.011 74 E HN 0.358 nan 8.360 nan 0.000 0.432 75 D N 2.185 122.606 120.400 0.034 0.000 2.423 75 D HA 0.389 -1.486 4.640 -10.858 0.000 0.235 75 D C -1.302 174.768 176.300 -0.382 0.000 1.011 75 D CA -0.857 53.142 54.000 -0.000 0.000 0.963 75 D CB 1.263 42.096 40.800 0.056 0.000 1.349 75 D HN 0.434 nan 8.370 nan 0.000 0.508 76 N N 1.603 119.853 118.700 -0.750 0.000 2.295 76 N HA 0.110 -1.665 4.740 -10.858 0.000 0.293 76 N C 0.938 176.144 175.510 -0.506 0.000 1.040 76 N CA -0.659 51.833 53.050 -0.930 0.000 0.840 76 N CB 1.103 38.442 38.487 -1.914 0.000 1.468 76 N HN 0.615 nan 8.380 nan 0.000 0.478 77 W N 4.246 125.369 121.300 -0.295 0.000 2.468 77 W HA -0.002 -1.858 4.660 -10.860 0.000 0.262 77 W C 0.566 177.068 176.519 -0.029 0.000 1.241 77 W CA 0.123 57.415 57.345 -0.090 0.000 1.232 77 W CB -0.363 29.052 29.460 -0.075 0.000 1.124 77 W HN 0.459 nan 8.180 nan 0.000 0.597 78 R N -0.531 119.451 120.500 -0.863 0.000 2.193 78 R HA -0.078 -2.253 4.340 -10.858 0.000 0.213 78 R C 2.009 178.211 176.300 -0.164 0.000 1.055 78 R CA 1.565 57.271 56.100 -0.657 0.000 0.995 78 R CB -0.545 29.270 30.300 -0.808 0.000 0.893 78 R HN 0.094 nan 8.270 nan 0.000 0.459 79 W N -0.026 121.013 121.300 -0.435 0.000 2.476 79 W HA -0.028 -1.884 4.660 -10.860 0.000 0.281 79 W C 1.944 178.477 176.519 0.024 0.000 1.230 79 W CA 0.437 57.545 57.345 -0.396 0.000 1.287 79 W CB -1.033 28.177 29.460 -0.416 0.000 1.108 79 W HN 0.303 nan 8.180 nan 0.000 0.567 80 H N -1.159 118.027 119.070 0.193 0.000 2.462 80 H HA -0.156 -2.115 4.556 -10.857 0.000 0.292 80 H C 2.037 177.494 175.328 0.215 0.000 1.049 80 H CA 1.232 57.392 56.048 0.187 0.000 1.334 80 H CB -0.305 29.556 29.762 0.165 0.000 1.404 80 H HN 0.055 nan 8.280 nan 0.000 0.544 81 F N 0.628 120.614 119.950 0.061 0.000 2.134 81 F HA -0.241 -2.228 4.527 -10.856 0.000 0.299 81 F C 2.247 178.090 175.800 0.071 0.000 1.097 81 F CA 1.485 59.501 58.000 0.026 0.000 1.264 81 F CB -0.656 38.379 39.000 0.059 0.000 1.001 81 F HN 0.127 nan 8.300 nan 0.000 0.479 82 Y N 1.146 121.559 120.300 0.189 0.000 2.242 82 Y HA -0.190 -2.153 4.550 -10.855 0.000 0.291 82 Y C 2.192 178.066 175.900 -0.042 0.000 1.137 82 Y CA 1.999 60.175 58.100 0.127 0.000 1.181 82 Y CB -0.595 38.105 38.460 0.401 0.000 0.989 82 Y HN 0.062 nan 8.280 nan 0.000 0.527 83 D N -0.995 119.459 120.400 0.090 0.000 2.144 83 D HA -0.132 -2.007 4.640 -10.858 0.000 0.200 83 D C 1.974 178.187 176.300 -0.146 0.000 0.978 83 D CA 1.853 55.871 54.000 0.030 0.000 0.833 83 D CB -0.226 40.676 40.800 0.169 0.000 0.961 83 D HN 0.380 nan 8.370 nan 0.000 0.470 84 T N 0.279 114.684 114.554 -0.248 0.000 2.904 84 T HA -0.059 -2.224 4.350 -10.858 0.000 0.267 84 T C 2.050 176.494 174.700 -0.427 0.000 1.059 84 T CA 0.324 62.243 62.100 -0.303 0.000 1.137 84 T CB -0.061 68.593 68.868 -0.356 0.000 0.879 84 T HN -0.023 nan 8.240 nan 0.000 0.467 85 V N 1.010 120.548 119.914 -0.627 0.000 2.649 85 V HA 0.069 -2.326 4.120 -10.858 0.000 0.248 85 V C 2.405 177.835 176.094 -1.105 0.000 1.054 85 V CA 1.439 63.255 62.300 -0.807 0.000 1.073 85 V CB -0.255 31.029 31.823 -0.898 0.000 0.699 85 V HN 0.332 nan 8.190 nan 0.000 0.463 86 K N -0.237 119.534 120.400 -1.048 0.000 2.103 86 K HA -0.050 -2.245 4.320 -10.858 0.000 0.204 86 K C 1.993 178.281 176.600 -0.520 0.000 1.052 86 K CA 1.351 56.989 56.287 -1.083 0.000 0.945 86 K CB -0.497 31.556 32.500 -0.744 0.000 0.722 86 K HN 0.549 nan 8.250 nan 0.000 0.443 87 G N 0.380 108.997 108.800 -0.306 0.000 2.422 87 G HA2 -0.226 -2.781 3.960 -10.858 0.000 0.218 87 G HA3 -0.226 -2.781 3.960 -10.858 0.000 0.218 87 G C 1.377 176.181 174.900 -0.159 0.000 1.140 87 G CA 1.001 46.020 45.100 -0.135 0.000 0.775 87 G HN 0.470 nan 8.290 nan 0.000 0.545 88 S N -0.173 115.361 115.700 -0.276 0.000 2.607 88 S HA 0.030 -2.015 4.470 -10.858 0.000 0.224 88 S C 1.056 175.550 174.600 -0.176 0.000 0.969 88 S CA 0.894 58.965 58.200 -0.216 0.000 0.927 88 S CB 0.008 63.055 63.200 -0.255 0.000 0.772 88 S HN 0.289 nan 8.310 nan 0.000 0.533 89 D N 0.732 121.017 120.400 -0.190 0.000 2.837 89 D HA -0.197 -2.072 4.640 -10.858 0.000 0.230 89 D C -0.552 175.905 176.300 0.261 0.000 1.152 89 D CA 1.000 55.051 54.000 0.086 0.000 0.736 89 D CB -1.914 38.977 40.800 0.151 0.000 1.084 89 D HN 0.735 nan 8.370 nan 0.000 0.429 90 W N -2.075 119.177 121.300 -0.080 0.000 4.849 90 W HA -0.312 -2.173 4.660 -10.869 0.000 0.358 90 W C 1.259 177.742 176.519 -0.060 0.000 1.331 90 W CA 0.647 57.943 57.345 -0.081 0.000 0.844 90 W CB -2.035 27.362 29.460 -0.104 0.000 2.434 90 W HN 0.310 nan 8.180 nan 0.000 1.458 91 L N 0.059 121.298 121.223 0.026 0.000 2.609 91 L HA 0.416 -1.759 4.340 -10.858 0.000 0.230 91 L C 1.651 178.503 176.870 -0.029 0.000 1.087 91 L CA 1.434 56.242 54.840 -0.053 0.000 0.874 91 L CB -0.009 41.955 42.059 -0.158 0.000 1.114 91 L HN -0.044 nan 8.230 nan 0.000 0.488 92 G N 0.320 109.084 108.800 -0.060 0.000 2.365 92 G HA2 0.106 -2.449 3.960 -10.858 0.000 0.249 92 G HA3 0.106 -2.449 3.960 -10.858 0.000 0.249 92 G C -0.796 174.118 174.900 0.022 0.000 1.288 92 G CA -0.411 44.661 45.100 -0.047 0.000 0.887 92 G HN 0.153 nan 8.290 nan 0.000 0.524 93 D N 2.203 122.657 120.400 0.090 0.000 2.346 93 D HA 0.057 -1.818 4.640 -10.858 0.000 0.260 93 D C 1.411 177.781 176.300 0.117 0.000 1.252 93 D CA 0.253 54.334 54.000 0.135 0.000 0.895 93 D CB 1.476 42.362 40.800 0.143 0.000 1.097 93 D HN 0.507 nan 8.370 nan 0.000 0.489 94 Q N 1.233 121.122 119.800 0.148 0.000 2.369 94 Q HA -0.118 -2.293 4.340 -10.858 0.000 0.206 94 Q C 1.355 177.561 176.000 0.343 0.000 0.963 94 Q CA 0.681 56.625 55.803 0.234 0.000 0.894 94 Q CB 0.298 29.223 28.738 0.311 0.000 0.965 94 Q HN 0.523 nan 8.270 nan 0.000 0.475 95 D N 0.322 120.852 120.400 0.217 0.000 2.183 95 D HA -0.129 -2.004 4.640 -10.858 0.000 0.203 95 D C 1.594 178.009 176.300 0.192 0.000 0.969 95 D CA 1.286 55.356 54.000 0.116 0.000 0.842 95 D CB -0.056 40.735 40.800 -0.016 0.000 0.957 95 D HN 0.160 nan 8.370 nan 0.000 0.484 96 A N 0.821 123.810 122.820 0.282 0.000 1.930 96 A HA 0.098 -2.097 4.320 -10.858 0.000 0.215 96 A C 2.519 180.380 177.584 0.461 0.000 1.176 96 A CA 0.599 52.900 52.037 0.441 0.000 0.632 96 A CB -0.605 18.608 19.000 0.356 0.000 0.819 96 A HN 0.228 nan 8.150 nan 0.000 0.445 97 I N -1.116 119.645 120.570 0.319 0.000 2.286 97 I HA -0.270 -2.615 4.170 -10.858 0.000 0.248 97 I C 2.431 178.855 176.117 0.512 0.000 1.115 97 I CA 1.767 63.215 61.300 0.247 0.000 1.392 97 I CB -0.568 37.382 38.000 -0.083 0.000 1.065 97 I HN 0.573 nan 8.210 nan 0.000 0.418 98 H N 0.087 119.503 119.070 0.577 0.000 2.290 98 H HA -0.307 -2.267 4.556 -10.860 0.000 0.298 98 H C 2.341 177.838 175.328 0.282 0.000 1.087 98 H CA 2.113 58.449 56.048 0.480 0.000 1.291 98 H CB -0.162 29.765 29.762 0.275 0.000 1.369 98 H HN 0.342 nan 8.280 nan 0.000 0.492 99 Y N 0.036 120.529 120.300 0.322 0.000 2.274 99 Y HA -0.239 -2.205 4.550 -10.859 0.000 0.290 99 Y C 2.677 178.557 175.900 -0.033 0.000 1.145 99 Y CA 1.692 59.857 58.100 0.107 0.000 1.203 99 Y CB -0.059 38.461 38.460 0.101 0.000 0.984 99 Y HN 0.295 nan 8.280 nan 0.000 0.533 100 M N -0.613 119.029 119.600 0.069 0.000 2.160 100 M HA -0.143 -2.178 4.480 -10.858 0.000 0.264 100 M C 2.146 178.431 176.300 -0.025 0.000 1.073 100 M CA 2.122 57.388 55.300 -0.057 0.000 1.142 100 M CB -0.231 32.474 32.600 0.175 0.000 1.358 100 M HN 0.403 nan 8.290 nan 0.000 0.422 101 T N -2.499 112.122 114.554 0.112 0.000 2.951 101 T HA -0.124 -2.289 4.350 -10.858 0.000 0.268 101 T C 1.552 176.264 174.700 0.020 0.000 1.073 101 T CA 1.426 63.666 62.100 0.233 0.000 1.134 101 T CB -0.381 68.744 68.868 0.429 0.000 0.884 101 T HN 0.547 nan 8.240 nan 0.000 0.479 102 E N 0.612 120.586 120.200 -0.376 0.000 2.112 102 E HA -0.104 -2.269 4.350 -10.858 0.000 0.190 102 E C 2.213 178.418 176.600 -0.659 0.000 0.979 102 E CA 0.574 56.339 56.400 -1.060 0.000 0.814 102 E CB -0.023 29.021 29.700 -1.093 0.000 0.762 102 E HN 0.421 nan 8.360 nan 0.000 0.460 103 Q N -0.151 119.348 119.800 -0.503 0.000 2.444 103 Q HA 0.132 -2.043 4.340 -10.858 0.000 0.206 103 Q C 1.296 177.126 176.000 -0.284 0.000 0.948 103 Q CA 0.739 56.279 55.803 -0.438 0.000 0.946 103 Q CB 0.109 28.489 28.738 -0.596 0.000 1.027 103 Q HN 0.333 nan 8.270 nan 0.000 0.513 104 A N 1.141 123.839 122.820 -0.202 0.000 1.858 104 A HA -0.088 -2.283 4.320 -10.858 0.000 0.216 104 A C -0.501 177.010 177.584 -0.122 0.000 1.190 104 A CA 1.369 53.353 52.037 -0.089 0.000 0.617 104 A CB -1.490 17.544 19.000 0.057 0.000 0.827 104 A HN 0.406 nan 8.150 nan 0.000 0.443 105 P HA 0.038 nan 4.420 nan 0.000 0.220 105 P C 1.567 178.773 177.300 -0.156 0.000 1.152 105 P CA 1.544 64.557 63.100 -0.146 0.000 0.812 105 P CB -0.075 31.544 31.700 -0.135 0.000 0.792 106 A N -0.461 122.250 122.820 -0.180 0.000 1.898 106 A HA -0.132 -2.328 4.320 -10.858 0.000 0.216 106 A C 2.344 179.835 177.584 -0.157 0.000 1.181 106 A CA 2.011 53.947 52.037 -0.168 0.000 0.620 106 A CB -1.467 17.416 19.000 -0.194 0.000 0.819 106 A HN 0.112 nan 8.150 nan 0.000 0.442 107 S N -0.667 114.938 115.700 -0.158 0.000 2.406 107 S HA -0.061 -2.106 4.470 -10.858 0.000 0.228 107 S C 1.848 176.376 174.600 -0.121 0.000 1.020 107 S CA 1.218 59.333 58.200 -0.142 0.000 0.965 107 S CB -0.206 62.923 63.200 -0.119 0.000 0.798 107 S HN 0.331 nan 8.310 nan 0.000 0.488 108 V N 1.046 120.895 119.914 -0.109 0.000 2.379 108 V HA -0.070 -2.466 4.120 -10.858 0.000 0.245 108 V C 2.278 178.297 176.094 -0.125 0.000 1.044 108 V CA 1.116 63.358 62.300 -0.097 0.000 1.036 108 V CB -0.606 31.116 31.823 -0.169 0.000 0.664 108 V HN 0.304 nan 8.190 nan 0.000 0.453 109 V N 0.272 120.099 119.914 -0.145 0.000 2.392 109 V HA -0.320 -2.715 4.120 -10.858 0.000 0.249 109 V C 2.521 178.558 176.094 -0.096 0.000 1.059 109 V CA 2.501 64.731 62.300 -0.117 0.000 1.051 109 V CB -0.443 31.316 31.823 -0.107 0.000 0.658 109 V HN 0.727 nan 8.190 nan 0.000 0.455 110 E N -0.176 119.933 120.200 -0.153 0.000 2.051 110 E HA -0.230 -2.396 4.350 -10.858 0.000 0.192 110 E C 2.257 178.603 176.600 -0.423 0.000 0.991 110 E CA 1.506 57.739 56.400 -0.278 0.000 0.799 110 E CB -0.177 29.318 29.700 -0.343 0.000 0.748 110 E HN 0.576 nan 8.360 nan 0.000 0.449 111 L N 1.101 122.165 121.223 -0.265 0.000 2.083 111 L HA -0.177 -2.352 4.340 -10.858 0.000 0.209 111 L C 2.855 179.821 176.870 0.159 0.000 1.083 111 L CA 1.222 56.016 54.840 -0.076 0.000 0.752 111 L CB -0.388 41.742 42.059 0.119 0.000 0.899 111 L HN 0.244 nan 8.230 nan 0.000 0.433 112 E N 0.404 120.738 120.200 0.222 0.000 2.106 112 E HA -0.197 -2.362 4.350 -10.858 0.000 0.192 112 E C 1.707 178.416 176.600 0.182 0.000 0.984 112 E CA 1.113 57.686 56.400 0.288 0.000 0.806 112 E CB -0.002 29.806 29.700 0.181 0.000 0.750 112 E HN 0.485 nan 8.360 nan 0.000 0.458 113 N N -0.284 118.495 118.700 0.131 0.000 2.396 113 N HA -0.093 -1.868 4.740 -10.858 0.000 0.180 113 N C 1.627 177.310 175.510 0.289 0.000 1.028 113 N CA 0.579 53.727 53.050 0.164 0.000 0.893 113 N CB -0.429 38.137 38.487 0.132 0.000 0.967 113 N HN 0.394 nan 8.380 nan 0.000 0.440 114 Y N -0.455 119.893 120.300 0.079 0.000 2.263 114 Y HA -0.010 -1.975 4.550 -10.858 0.000 0.292 114 Y C 1.708 177.622 175.900 0.024 0.000 1.130 114 Y CA 0.536 58.669 58.100 0.055 0.000 1.179 114 Y CB 0.340 38.844 38.460 0.073 0.000 0.998 114 Y HN 0.220 nan 8.280 nan 0.000 0.532 115 G N -0.516 108.405 108.800 0.202 0.000 2.870 115 G HA2 -0.168 -2.723 3.960 -10.858 0.000 0.216 115 G HA3 -0.168 -2.723 3.960 -10.858 0.000 0.216 115 G C -0.052 174.884 174.900 0.059 0.000 0.973 115 G CA -0.524 44.635 45.100 0.099 0.000 0.807 115 G HN 0.112 nan 8.290 nan 0.000 0.573 116 M N 3.200 122.837 119.600 0.060 0.000 2.364 116 M HA 0.340 -1.695 4.480 -10.858 0.000 0.342 116 M C -1.860 174.362 176.300 -0.130 0.000 1.601 116 M CA -1.423 53.812 55.300 -0.107 0.000 1.156 116 M CB 0.662 33.121 32.600 -0.236 0.000 1.912 116 M HN -0.059 nan 8.290 nan 0.000 0.460 117 P HA 0.097 nan 4.420 nan 0.000 0.237 117 P C -1.008 176.260 177.300 -0.053 0.000 1.788 117 P CA 0.007 63.082 63.100 -0.041 0.000 1.061 117 P CB -0.752 30.929 31.700 -0.031 0.000 1.967 118 F N 0.539 120.514 119.950 0.042 0.000 2.595 118 F HA -0.001 -1.989 4.527 -10.859 0.000 0.359 118 F C 1.661 177.493 175.800 0.053 0.000 1.147 118 F CA 0.737 58.769 58.000 0.052 0.000 1.341 118 F CB 0.115 39.145 39.000 0.051 0.000 1.104 118 F HN 0.100 nan 8.300 nan 0.000 0.603 119 S N 3.267 119.132 115.700 0.276 0.000 2.579 119 S HA 0.343 -1.702 4.470 -10.858 0.000 0.275 119 S C 0.140 174.850 174.600 0.183 0.000 1.345 119 S CA -0.722 57.571 58.200 0.155 0.000 1.031 119 S CB 0.474 63.724 63.200 0.084 0.000 0.892 119 S HN 0.334 nan 8.310 nan 0.000 0.529 120 R N 0.913 121.463 120.500 0.084 0.000 2.854 120 R HA 0.623 -1.552 4.340 -10.858 0.000 0.271 120 R C 0.185 176.530 176.300 0.074 0.000 0.996 120 R CA -0.668 55.489 56.100 0.094 0.000 0.961 120 R CB 1.109 31.447 30.300 0.063 0.000 1.182 120 R HN 0.796 nan 8.270 nan 0.000 0.479 121 T N -2.467 112.147 114.554 0.101 0.000 2.819 121 T HA 0.223 -1.942 4.350 -10.858 0.000 0.271 121 T C 1.040 175.769 174.700 0.049 0.000 0.986 121 T CA -0.657 61.499 62.100 0.094 0.000 0.989 121 T CB 0.892 69.841 68.868 0.135 0.000 1.396 121 T HN 0.425 nan 8.240 nan 0.000 0.597 122 E N 0.431 120.657 120.200 0.042 0.000 2.150 122 E HA -0.110 -2.275 4.350 -10.858 0.000 0.193 122 E C 1.493 178.107 176.600 0.023 0.000 0.985 122 E CA 1.307 57.723 56.400 0.026 0.000 0.814 122 E CB -0.504 29.209 29.700 0.022 0.000 0.752 122 E HN 0.566 nan 8.360 nan 0.000 0.466 123 D N -1.273 119.143 120.400 0.026 0.000 2.178 123 D HA -0.011 -1.886 4.640 -10.858 0.000 0.202 123 D C 1.304 177.616 176.300 0.021 0.000 0.974 123 D CA 1.450 55.462 54.000 0.020 0.000 0.841 123 D CB 0.109 40.919 40.800 0.016 0.000 0.953 123 D HN 0.376 nan 8.370 nan 0.000 0.478 124 G N 0.294 109.112 108.800 0.029 0.000 2.179 124 G HA2 -0.242 -2.797 3.960 -10.858 0.000 0.220 124 G HA3 -0.242 -2.797 3.960 -10.858 0.000 0.220 124 G C 0.388 175.309 174.900 0.034 0.000 0.990 124 G CA -0.021 45.098 45.100 0.031 0.000 0.646 124 G HN 0.310 nan 8.290 nan 0.000 0.517 125 K N -0.181 120.236 120.400 0.030 0.000 2.127 125 K HA 0.638 -1.558 4.320 -10.858 0.000 0.240 125 K C 0.791 177.408 176.600 0.029 0.000 1.024 125 K CA -0.822 55.472 56.287 0.012 0.000 0.918 125 K CB 1.003 33.498 32.500 -0.009 0.000 1.108 125 K HN 0.186 nan 8.250 nan 0.000 0.485 126 I N 2.148 122.700 120.570 -0.029 0.000 2.668 126 I HA -0.111 -2.456 4.170 -10.858 0.000 0.285 126 I C 0.005 176.136 176.117 0.025 0.000 1.168 126 I CA 0.066 61.337 61.300 -0.048 0.000 1.424 126 I CB -0.128 37.674 38.000 -0.329 0.000 1.377 126 I HN 0.426 nan 8.210 nan 0.000 0.560 127 Y N 7.776 128.079 120.300 0.005 0.000 2.537 127 Y HA 0.116 -1.849 4.550 -10.858 0.000 0.339 127 Y C 0.088 176.003 175.900 0.025 0.000 1.066 127 Y CA -0.070 58.045 58.100 0.025 0.000 1.357 127 Y CB 0.171 38.665 38.460 0.057 0.000 1.175 127 Y HN 0.517 nan 8.280 nan 0.000 0.525 128 Q N 5.011 124.542 119.800 -0.448 0.000 2.226 128 Q HA 0.641 -1.534 4.340 -10.858 0.000 0.256 128 Q C -0.876 174.771 176.000 -0.590 0.000 0.962 128 Q CA -1.216 54.358 55.803 -0.382 0.000 0.887 128 Q CB 2.090 30.715 28.738 -0.188 0.000 1.282 128 Q HN 0.577 nan 8.270 nan 0.000 0.449 129 R N -0.115 120.227 120.500 -0.263 0.000 2.710 129 R HA 0.590 -1.585 4.340 -10.858 0.000 0.270 129 R C -1.732 174.646 176.300 0.131 0.000 1.021 129 R CA -0.467 55.591 56.100 -0.070 0.000 0.889 129 R CB 1.516 31.785 30.300 -0.052 0.000 1.243 129 R HN 0.777 nan 8.270 nan 0.000 0.464 130 A N 2.315 125.267 122.820 0.220 0.000 2.531 130 A HA 0.403 -1.792 4.320 -10.858 0.000 0.236 130 A C -0.788 176.911 177.584 0.190 0.000 1.062 130 A CA 0.709 52.789 52.037 0.072 0.000 0.760 130 A CB -0.199 18.805 19.000 0.008 0.000 0.995 130 A HN 0.512 nan 8.150 nan 0.000 0.501 131 F N -0.190 119.719 119.950 -0.069 0.000 2.726 131 F HA 0.571 -1.418 4.527 -10.860 0.000 0.324 131 F C 0.969 176.720 175.800 -0.081 0.000 1.140 131 F CA -0.171 57.798 58.000 -0.051 0.000 0.964 131 F CB 1.425 40.406 39.000 -0.032 0.000 1.399 131 F HN 0.747 nan 8.300 nan 0.000 0.491 132 G N 0.742 109.461 108.800 -0.135 0.000 2.307 132 G HA2 0.385 -2.170 3.960 -10.858 0.000 0.271 132 G HA3 0.385 -2.170 3.960 -10.858 0.000 0.271 132 G C 0.607 175.431 174.900 -0.128 0.000 1.191 132 G CA 0.407 45.397 45.100 -0.183 0.000 1.024 132 G HN 1.566 nan 8.290 nan 0.000 0.441 133 G N 1.772 110.441 108.800 -0.219 0.000 2.298 133 G HA2 -0.222 -2.778 3.960 -10.858 0.000 0.287 133 G HA3 -0.222 -2.778 3.960 -10.858 0.000 0.287 133 G C 0.100 174.952 174.900 -0.080 0.000 1.075 133 G CA 0.304 45.195 45.100 -0.347 0.000 0.960 133 G HN 0.878 nan 8.290 nan 0.000 0.502 134 Q N -0.381 119.425 119.800 0.010 0.000 2.353 134 Q HA 0.706 -1.469 4.340 -10.858 0.000 0.268 134 Q C -0.034 176.004 176.000 0.064 0.000 1.045 134 Q CA -0.218 55.634 55.803 0.081 0.000 0.811 134 Q CB 2.326 31.114 28.738 0.083 0.000 1.305 134 Q HN 0.714 nan 8.270 nan 0.000 0.447 135 S N 1.374 117.133 115.700 0.099 0.000 2.627 135 S HA 0.741 -1.304 4.470 -10.858 0.000 0.283 135 S C -0.828 173.746 174.600 -0.043 0.000 1.127 135 S CA -0.864 57.355 58.200 0.032 0.000 0.863 135 S CB 1.089 64.336 63.200 0.079 0.000 1.121 135 S HN 0.475 nan 8.310 nan 0.000 0.479 136 L N 1.057 122.165 121.223 -0.192 0.000 2.352 136 L HA 0.587 -1.588 4.340 -10.858 0.000 0.269 136 L C 0.051 176.379 176.870 -0.903 0.000 1.034 136 L CA -1.104 53.440 54.840 -0.493 0.000 0.806 136 L CB 0.872 42.700 42.059 -0.386 0.000 1.244 136 L HN 0.946 nan 8.230 nan 0.000 0.447 137 K N 2.149 121.320 120.400 -2.049 0.000 3.096 137 K HA -0.246 -2.441 4.320 -10.858 0.000 0.266 137 K C -0.480 175.669 176.600 -0.751 0.000 1.043 137 K CA 0.477 55.798 56.287 -1.610 0.000 0.758 137 K CB -1.646 30.391 32.500 -0.772 0.000 1.260 137 K HN 0.554 nan 8.250 nan 0.000 0.481 138 F N -1.462 118.046 119.950 -0.736 0.000 3.093 138 F HA -0.269 -2.258 4.527 -10.860 0.000 0.287 138 F C 1.165 176.570 175.800 -0.659 0.000 0.882 138 F CA 1.380 59.047 58.000 -0.556 0.000 1.063 138 F CB -1.887 36.806 39.000 -0.513 0.000 1.097 138 F HN 0.590 nan 8.300 nan 0.000 0.604 139 G N -0.458 108.203 108.800 -0.232 0.000 2.165 139 G HA2 -0.251 -2.806 3.960 -10.858 0.000 0.226 139 G HA3 -0.251 -2.806 3.960 -10.858 0.000 0.226 139 G C 0.722 175.558 174.900 -0.107 0.000 1.035 139 G CA 0.196 45.252 45.100 -0.073 0.000 0.744 139 G HN 0.382 nan 8.290 nan 0.000 0.501 140 K N -0.696 119.598 120.400 -0.177 0.000 2.502 140 K HA 0.226 -1.969 4.320 -10.858 0.000 0.211 140 K C 1.640 178.148 176.600 -0.152 0.000 1.259 140 K CA 0.608 56.810 56.287 -0.142 0.000 0.983 140 K CB 1.244 33.660 32.500 -0.140 0.000 1.054 140 K HN 0.561 nan 8.250 nan 0.000 0.572 141 G N 0.932 109.601 108.800 -0.218 0.000 3.936 141 G HA2 0.443 -2.112 3.960 -10.858 0.000 0.296 141 G HA3 0.443 -2.112 3.960 -10.858 0.000 0.296 141 G C 0.645 175.469 174.900 -0.128 0.000 1.121 141 G CA 0.245 45.226 45.100 -0.198 0.000 0.899 141 G HN 0.334 nan 8.290 nan 0.000 0.542 142 G N 0.335 109.086 108.800 -0.083 0.000 2.509 142 G HA2 -0.166 -2.721 3.960 -10.858 0.000 0.256 142 G HA3 -0.166 -2.721 3.960 -10.858 0.000 0.256 142 G C -0.095 174.779 174.900 -0.044 0.000 1.152 142 G CA 0.217 45.293 45.100 -0.041 0.000 0.951 142 G HN 0.884 nan 8.290 nan 0.000 0.559 143 Q N 0.939 120.706 119.800 -0.055 0.000 2.293 143 Q HA 0.741 -1.434 4.340 -10.858 0.000 0.261 143 Q C 0.076 175.922 176.000 -0.256 0.000 0.960 143 Q CA 0.490 56.215 55.803 -0.131 0.000 0.882 143 Q CB 1.414 30.066 28.738 -0.144 0.000 1.275 143 Q HN 1.665 nan 8.270 nan 0.000 0.445 144 A N 3.811 126.487 122.820 -0.240 0.000 2.306 144 A HA 0.549 -1.646 4.320 -10.858 0.000 0.314 144 A C -1.246 176.117 177.584 -0.368 0.000 1.164 144 A CA -0.487 51.435 52.037 -0.193 0.000 0.822 144 A CB 0.268 19.260 19.000 -0.013 0.000 1.130 144 A HN 0.923 nan 8.150 nan 0.000 0.496 145 H N 1.130 120.206 119.070 0.009 0.000 2.697 145 H HA 0.461 -1.498 4.556 -10.858 0.000 0.270 145 H C 0.691 175.979 175.328 -0.067 0.000 1.188 145 H CA -0.301 55.727 56.048 -0.034 0.000 1.322 145 H CB 0.622 30.349 29.762 -0.058 0.000 1.405 145 H HN 0.732 nan 8.280 nan 0.000 0.502 146 R N 0.393 120.883 120.500 -0.018 0.000 2.539 146 R HA 0.205 -1.970 4.340 -10.858 0.000 0.342 146 R C -0.367 175.847 176.300 -0.143 0.000 0.941 146 R CA -0.249 55.795 56.100 -0.093 0.000 1.146 146 R CB -0.310 29.910 30.300 -0.132 0.000 1.541 146 R HN 0.375 nan 8.270 nan 0.000 0.525 147 C N 3.394 122.624 119.300 -0.116 0.000 2.459 147 C HA 0.434 -1.621 4.460 -10.858 0.000 0.358 147 C C 0.658 175.578 174.990 -0.116 0.000 1.162 147 C CA -0.716 58.206 59.018 -0.161 0.000 1.559 147 C CB -1.586 26.027 27.740 -0.212 0.000 2.132 147 C HN 0.635 nan 8.230 nan 0.000 0.536 148 C N 6.218 125.459 119.300 -0.099 0.000 2.629 148 C HA 0.509 -1.547 4.460 -10.858 0.000 0.410 148 C C 0.928 176.026 174.990 0.179 0.000 1.339 148 C CA -0.683 58.321 59.018 -0.023 0.000 1.810 148 C CB -2.215 25.414 27.740 -0.186 0.000 2.549 148 C HN 0.995 nan 8.230 nan 0.000 0.589 149 C N 1.710 121.190 119.300 0.300 0.000 2.889 149 C HA 0.816 -1.239 4.460 -10.858 0.000 0.307 149 C C -0.204 174.984 174.990 0.329 0.000 1.251 149 C CA -0.621 58.574 59.018 0.294 0.000 1.593 149 C CB 0.642 28.518 27.740 0.228 0.000 2.104 149 C HN 0.620 nan 8.230 nan 0.000 0.476 150 V N 2.745 122.741 119.914 0.136 0.000 2.622 150 V HA 0.549 -1.846 4.120 -10.858 0.000 0.296 150 V C 1.141 177.267 176.094 0.054 0.000 1.174 150 V CA 0.699 63.021 62.300 0.038 0.000 1.391 150 V CB -0.514 31.230 31.823 -0.131 0.000 1.553 150 V HN 1.999 nan 8.190 nan 0.000 0.581 151 A N 2.041 124.917 122.820 0.094 0.000 2.091 151 A HA -0.216 -2.411 4.320 -10.858 0.000 0.270 151 A C 1.257 178.872 177.584 0.052 0.000 1.368 151 A CA 0.990 53.064 52.037 0.062 0.000 0.745 151 A CB -1.542 17.464 19.000 0.011 0.000 1.173 151 A HN 1.054 nan 8.150 nan 0.000 0.322 152 D N -1.608 118.839 120.400 0.080 0.000 2.978 152 D HA -0.219 -2.094 4.640 -10.858 0.000 0.205 152 D C 0.504 176.830 176.300 0.044 0.000 1.093 152 D CA 2.332 56.372 54.000 0.067 0.000 1.006 152 D CB -0.625 40.205 40.800 0.049 0.000 1.116 152 D HN 0.962 nan 8.370 nan 0.000 0.419 153 R N -0.621 119.902 120.500 0.038 0.000 2.782 153 R HA 0.244 -1.931 4.340 -10.858 0.000 0.293 153 R C 1.487 177.825 176.300 0.063 0.000 1.333 153 R CA 0.612 56.736 56.100 0.041 0.000 1.479 153 R CB 0.511 30.812 30.300 0.001 0.000 1.306 153 R HN 0.265 nan 8.270 nan 0.000 0.654 154 T N -3.569 111.013 114.554 0.046 0.000 2.809 154 T HA -0.033 -2.198 4.350 -10.858 0.000 0.260 154 T C 1.946 176.651 174.700 0.009 0.000 1.039 154 T CA 1.337 63.443 62.100 0.009 0.000 1.141 154 T CB 0.072 68.958 68.868 0.030 0.000 0.869 154 T HN 0.347 nan 8.240 nan 0.000 0.437 155 G N 0.546 109.368 108.800 0.037 0.000 2.408 155 G HA2 -0.198 -2.753 3.960 -10.858 0.000 0.217 155 G HA3 -0.198 -2.753 3.960 -10.858 0.000 0.217 155 G C 1.616 176.556 174.900 0.067 0.000 1.150 155 G CA 0.807 45.926 45.100 0.032 0.000 0.776 155 G HN 0.718 nan 8.290 nan 0.000 0.542 156 H N 0.658 119.740 119.070 0.020 0.000 2.321 156 H HA -0.056 -2.015 4.556 -10.859 0.000 0.300 156 H C 2.487 177.889 175.328 0.124 0.000 1.087 156 H CA 1.723 57.823 56.048 0.087 0.000 1.319 156 H CB -0.246 29.547 29.762 0.052 0.000 1.379 156 H HN 0.327 nan 8.280 nan 0.000 0.501 157 S N -0.041 115.674 115.700 0.025 0.000 2.428 157 S HA -0.063 -2.108 4.470 -10.858 0.000 0.230 157 S C 2.212 176.769 174.600 -0.072 0.000 1.014 157 S CA 0.700 58.859 58.200 -0.068 0.000 0.957 157 S CB -0.236 62.919 63.200 -0.075 0.000 0.784 157 S HN 0.392 nan 8.310 nan 0.000 0.499 158 L N 1.019 122.213 121.223 -0.048 0.000 1.988 158 L HA 0.048 -2.127 4.340 -10.858 0.000 0.207 158 L C 2.109 178.993 176.870 0.023 0.000 1.071 158 L CA 1.528 56.358 54.840 -0.016 0.000 0.744 158 L CB -0.578 41.487 42.059 0.011 0.000 0.893 158 L HN 0.327 nan 8.230 nan 0.000 0.433 159 L N -0.790 120.437 121.223 0.008 0.000 2.046 159 L HA -0.236 -2.411 4.340 -10.858 0.000 0.208 159 L C 2.581 179.426 176.870 -0.041 0.000 1.077 159 L CA 1.833 56.661 54.840 -0.020 0.000 0.747 159 L CB -0.981 41.037 42.059 -0.069 0.000 0.896 159 L HN 0.413 nan 8.230 nan 0.000 0.432 160 H N -1.065 117.947 119.070 -0.097 0.000 2.321 160 H HA -0.096 -2.055 4.556 -10.859 0.000 0.300 160 H C 1.999 177.323 175.328 -0.007 0.000 1.087 160 H CA 2.185 58.198 56.048 -0.058 0.000 1.319 160 H CB -0.222 29.427 29.762 -0.188 0.000 1.379 160 H HN 0.509 nan 8.280 nan 0.000 0.501 161 T N -1.142 113.466 114.554 0.090 0.000 3.023 161 T HA 0.011 -2.154 4.350 -10.858 0.000 0.266 161 T C 2.262 176.989 174.700 0.045 0.000 1.093 161 T CA 0.281 62.411 62.100 0.050 0.000 1.129 161 T CB -0.353 68.540 68.868 0.042 0.000 0.899 161 T HN 0.127 nan 8.240 nan 0.000 0.491 162 L N -0.912 120.354 121.223 0.073 0.000 2.095 162 L HA 0.119 -2.056 4.340 -10.858 0.000 0.204 162 L C 2.549 179.384 176.870 -0.059 0.000 1.080 162 L CA 1.170 56.057 54.840 0.077 0.000 0.759 162 L CB -0.444 41.722 42.059 0.178 0.000 0.914 162 L HN 0.227 nan 8.230 nan 0.000 0.439 163 Y N 0.595 120.806 120.300 -0.149 0.000 2.200 163 Y HA -0.115 -2.080 4.550 -10.858 0.000 0.290 163 Y C 2.251 178.018 175.900 -0.220 0.000 1.137 163 Y CA 1.374 59.343 58.100 -0.219 0.000 1.163 163 Y CB -0.730 37.563 38.460 -0.277 0.000 0.988 163 Y HN 0.068 nan 8.280 nan 0.000 0.518 164 G N 0.547 109.197 108.800 -0.250 0.000 2.440 164 G HA2 -0.283 -2.838 3.960 -10.858 0.000 0.218 164 G HA3 -0.283 -2.838 3.960 -10.858 0.000 0.218 164 G C 1.863 176.543 174.900 -0.368 0.000 1.154 164 G CA 0.808 45.728 45.100 -0.299 0.000 0.767 164 G HN 0.223 nan 8.290 nan 0.000 0.552 165 R N 0.884 121.150 120.500 -0.390 0.000 2.148 165 R HA -0.016 -2.191 4.340 -10.858 0.000 0.223 165 R C 2.889 178.807 176.300 -0.637 0.000 1.088 165 R CA 1.334 57.117 56.100 -0.529 0.000 0.985 165 R CB -0.528 29.364 30.300 -0.680 0.000 0.880 165 R HN 0.518 nan 8.270 nan 0.000 0.451 166 S N -0.288 115.023 115.700 -0.648 0.000 2.522 166 S HA -0.009 -2.054 4.470 -10.858 0.000 0.227 166 S C 1.730 176.234 174.600 -0.160 0.000 0.986 166 S CA 0.211 58.159 58.200 -0.420 0.000 0.929 166 S CB -0.041 63.043 63.200 -0.192 0.000 0.769 166 S HN 0.091 nan 8.310 nan 0.000 0.529 167 L N 1.583 122.599 121.223 -0.346 0.000 2.465 167 L HA 0.239 -1.936 4.340 -10.858 0.000 0.224 167 L C 2.579 179.324 176.870 -0.209 0.000 1.145 167 L CA 1.052 55.739 54.840 -0.255 0.000 0.834 167 L CB -1.330 40.522 42.059 -0.344 0.000 0.944 167 L HN 0.443 nan 8.230 nan 0.000 0.451 168 R N -1.218 119.080 120.500 -0.336 0.000 2.189 168 R HA -0.079 -2.254 4.340 -10.858 0.000 0.218 168 R C -0.175 175.797 176.300 -0.546 0.000 1.074 168 R CA 0.534 56.322 56.100 -0.520 0.000 0.991 168 R CB 0.251 30.063 30.300 -0.814 0.000 0.883 168 R HN 0.170 nan 8.270 nan 0.000 0.457 169 Y N 0.137 120.426 120.300 -0.018 0.000 2.487 169 Y HA 0.122 -1.843 4.550 -10.858 0.000 0.337 169 Y C -0.144 175.773 175.900 0.028 0.000 1.076 169 Y CA -1.709 56.407 58.100 0.027 0.000 1.115 169 Y CB 0.937 39.447 38.460 0.084 0.000 1.235 169 Y HN 0.069 nan 8.280 nan 0.000 0.468 170 D N 0.567 121.078 120.400 0.185 0.000 2.541 170 D HA 0.035 -1.840 4.640 -10.858 0.000 0.231 170 D C -0.700 175.638 176.300 0.064 0.000 1.163 170 D CA -0.171 53.889 54.000 0.100 0.000 1.077 170 D CB -0.577 40.271 40.800 0.079 0.000 1.110 170 D HN 0.349 nan 8.370 nan 0.000 0.499 171 T N 0.564 115.118 114.554 -0.001 0.000 2.771 171 T HA 0.305 -1.860 4.350 -10.858 0.000 0.281 171 T C 0.105 174.568 174.700 -0.394 0.000 0.982 171 T CA -0.755 61.202 62.100 -0.238 0.000 0.978 171 T CB 1.301 69.911 68.868 -0.431 0.000 0.930 171 T HN 0.097 nan 8.240 nan 0.000 0.447 172 S N 3.057 118.543 115.700 -0.356 0.000 2.411 172 S HA 0.267 -1.778 4.470 -10.858 0.000 0.304 172 S C -0.617 173.623 174.600 -0.600 0.000 1.098 172 S CA -0.584 57.394 58.200 -0.371 0.000 1.068 172 S CB -0.388 62.712 63.200 -0.167 0.000 1.032 172 S HN 0.522 nan 8.310 nan 0.000 0.511 173 Y N 1.939 122.062 120.300 -0.296 0.000 2.383 173 Y HA 0.280 -1.685 4.550 -10.859 0.000 0.344 173 Y C 0.070 175.723 175.900 -0.412 0.000 0.986 173 Y CA -0.804 57.147 58.100 -0.248 0.000 1.175 173 Y CB 0.122 38.522 38.460 -0.102 0.000 1.152 173 Y HN 0.542 nan 8.280 nan 0.000 0.511 174 F N 3.261 123.069 119.950 -0.236 0.000 2.605 174 F HA 0.225 -1.763 4.527 -10.858 0.000 0.352 174 F C 0.039 175.751 175.800 -0.147 0.000 1.236 174 F CA -0.630 57.038 58.000 -0.553 0.000 1.267 174 F CB -0.223 38.107 39.000 -1.115 0.000 1.632 174 F HN 0.161 nan 8.300 nan 0.000 0.639 175 V N 2.267 122.297 119.914 0.194 0.000 2.572 175 V HA 0.019 -2.376 4.120 -10.858 0.000 0.291 175 V C 0.504 176.853 176.094 0.425 0.000 1.039 175 V CA -0.653 61.814 62.300 0.278 0.000 1.055 175 V CB 0.505 32.486 31.823 0.262 0.000 0.969 175 V HN 0.716 nan 8.190 nan 0.000 0.482 176 E N 2.753 123.148 120.200 0.326 0.000 2.257 176 E HA -0.217 -2.382 4.350 -10.858 0.000 0.217 176 E C -1.379 175.337 176.600 0.194 0.000 1.248 176 E CA 0.361 56.893 56.400 0.221 0.000 0.691 176 E CB -0.954 28.862 29.700 0.192 0.000 1.185 176 E HN 0.648 nan 8.360 nan 0.000 0.377 177 Y N 0.137 120.470 120.300 0.054 0.000 2.332 177 Y HA 0.340 -1.625 4.550 -10.859 0.000 0.326 177 Y C -0.197 175.727 175.900 0.040 0.000 0.978 177 Y CA -1.098 57.028 58.100 0.044 0.000 1.205 177 Y CB 0.918 39.392 38.460 0.022 0.000 1.131 177 Y HN 0.233 nan 8.280 nan 0.000 0.462 178 F N 4.011 123.957 119.950 -0.008 0.000 2.439 178 F HA 0.600 -1.389 4.527 -10.859 0.000 0.356 178 F C 0.562 176.357 175.800 -0.008 0.000 1.161 178 F CA -0.786 57.196 58.000 -0.030 0.000 1.151 178 F CB 0.053 38.999 39.000 -0.089 0.000 1.222 178 F HN 0.596 nan 8.300 nan 0.000 0.558 179 A N 7.124 129.758 122.820 -0.310 0.000 2.492 179 A HA 0.307 -1.888 4.320 -10.858 0.000 0.254 179 A C 0.512 177.935 177.584 -0.268 0.000 1.091 179 A CA -0.244 51.658 52.037 -0.224 0.000 0.768 179 A CB 0.219 19.086 19.000 -0.222 0.000 1.028 179 A HN 1.024 nan 8.150 nan 0.000 0.498 180 L N 1.452 122.640 121.223 -0.058 0.000 2.185 180 L HA 0.232 -1.943 4.340 -10.858 0.000 0.198 180 L C 0.463 177.318 176.870 -0.025 0.000 1.079 180 L CA 0.650 55.503 54.840 0.020 0.000 0.780 180 L CB -0.075 42.019 42.059 0.058 0.000 0.955 180 L HN 0.599 nan 8.230 nan 0.000 0.462 181 D N -1.265 119.115 120.400 -0.034 0.000 2.579 181 D HA 0.392 -1.483 4.640 -10.858 0.000 0.257 181 D C -1.386 174.889 176.300 -0.041 0.000 1.176 181 D CA -0.517 53.462 54.000 -0.035 0.000 0.914 181 D CB 2.862 43.651 40.800 -0.019 0.000 1.431 181 D HN -0.272 nan 8.370 nan 0.000 0.454 182 L N 1.028 122.229 121.223 -0.037 0.000 2.290 182 L HA 0.290 -1.885 4.340 -10.858 0.000 0.284 182 L C 0.011 176.868 176.870 -0.022 0.000 1.078 182 L CA -0.106 54.714 54.840 -0.034 0.000 0.815 182 L CB 0.523 42.561 42.059 -0.035 0.000 1.162 182 L HN 0.229 nan 8.230 nan 0.000 0.435 183 L N 5.083 126.296 121.223 -0.017 0.000 2.485 183 L HA 0.193 -1.982 4.340 -10.858 0.000 0.279 183 L C -0.037 176.829 176.870 -0.007 0.000 1.124 183 L CA 0.281 55.116 54.840 -0.008 0.000 0.888 183 L CB 0.174 42.234 42.059 0.001 0.000 1.217 183 L HN 0.591 nan 8.230 nan 0.000 0.464 184 M N 4.051 123.646 119.600 -0.007 0.000 2.393 184 M HA 0.383 -1.652 4.480 -10.858 0.000 0.316 184 M C -0.829 175.468 176.300 -0.005 0.000 1.087 184 M CA -0.141 55.154 55.300 -0.008 0.000 0.937 184 M CB 1.933 34.526 32.600 -0.011 0.000 1.668 184 M HN 0.385 nan 8.290 nan 0.000 0.438 185 E N 3.260 123.457 120.200 -0.005 0.000 2.302 185 E HA 0.308 -1.858 4.350 -10.858 0.000 0.263 185 E C -0.945 175.651 176.600 -0.006 0.000 0.897 185 E CA -0.270 56.127 56.400 -0.004 0.000 0.809 185 E CB 0.662 30.362 29.700 -0.000 0.000 1.270 185 E HN 0.802 nan 8.360 nan 0.000 0.410 186 N N 3.263 121.959 118.700 -0.007 0.000 2.714 186 N HA -0.216 -1.991 4.740 -10.858 0.000 0.253 186 N C 0.442 175.946 175.510 -0.011 0.000 1.024 186 N CA 1.456 54.501 53.050 -0.008 0.000 0.726 186 N CB -1.117 37.365 38.487 -0.007 0.000 0.908 186 N HN 1.007 nan 8.380 nan 0.000 0.542 187 G N -0.466 108.327 108.800 -0.012 0.000 2.179 187 G HA2 -0.308 -2.863 3.960 -10.858 0.000 0.257 187 G HA3 -0.308 -2.863 3.960 -10.858 0.000 0.257 187 G C -0.259 174.629 174.900 -0.020 0.000 1.010 187 G CA 0.826 45.917 45.100 -0.015 0.000 0.736 187 G HN 0.628 nan 8.290 nan 0.000 0.513 188 E N -1.090 119.100 120.200 -0.018 0.000 2.256 188 E HA 0.423 -1.742 4.350 -10.858 0.000 0.268 188 E C -0.360 176.231 176.600 -0.016 0.000 0.877 188 E CA -0.825 55.563 56.400 -0.020 0.000 0.757 188 E CB 2.049 31.741 29.700 -0.013 0.000 1.183 188 E HN 0.220 nan 8.360 nan 0.000 0.418 189 C N 3.438 122.725 119.300 -0.021 0.000 2.566 189 C HA 0.243 -1.812 4.460 -10.858 0.000 0.393 189 C C 1.233 176.224 174.990 0.002 0.000 1.309 189 C CA -0.199 58.811 59.018 -0.014 0.000 1.801 189 C CB -0.637 27.090 27.740 -0.023 0.000 2.493 189 C HN 0.726 nan 8.230 nan 0.000 0.575 190 R N 3.249 123.753 120.500 0.006 0.000 2.335 190 R HA 0.337 -1.838 4.340 -10.858 0.000 0.210 190 R C 0.946 177.261 176.300 0.025 0.000 0.892 190 R CA 0.798 56.908 56.100 0.018 0.000 1.048 190 R CB 0.215 30.525 30.300 0.016 0.000 1.067 190 R HN 1.033 nan 8.270 nan 0.000 0.524 191 G N -0.343 108.465 108.800 0.012 0.000 2.334 191 G HA2 0.061 -2.494 3.960 -10.858 0.000 0.249 191 G HA3 0.061 -2.494 3.960 -10.858 0.000 0.249 191 G C -1.744 173.146 174.900 -0.016 0.000 1.327 191 G CA -0.612 44.492 45.100 0.007 0.000 0.979 191 G HN -0.087 nan 8.290 nan 0.000 0.471 192 V N 0.601 120.496 119.914 -0.032 0.000 2.709 192 V HA 0.672 -1.723 4.120 -10.858 0.000 0.308 192 V C -0.247 175.825 176.094 -0.038 0.000 1.062 192 V CA -0.609 61.659 62.300 -0.052 0.000 0.901 192 V CB 1.776 33.542 31.823 -0.095 0.000 1.003 192 V HN 0.881 nan 8.190 nan 0.000 0.425 193 I N 3.547 124.102 120.570 -0.024 0.000 2.353 193 I HA 0.813 -1.532 4.170 -10.858 0.000 0.293 193 I C 0.137 176.258 176.117 0.006 0.000 0.992 193 I CA -0.035 61.267 61.300 0.002 0.000 1.268 193 I CB 1.119 39.121 38.000 0.003 0.000 1.387 193 I HN 0.853 nan 8.210 nan 0.000 0.478 194 A N 7.058 129.911 122.820 0.055 0.000 2.498 194 A HA 0.693 -1.502 4.320 -10.858 0.000 0.298 194 A C -1.759 175.923 177.584 0.163 0.000 1.075 194 A CA -0.630 51.466 52.037 0.097 0.000 0.714 194 A CB 1.646 20.704 19.000 0.096 0.000 1.299 194 A HN 0.694 nan 8.150 nan 0.000 0.407 195 L N 1.618 122.928 121.223 0.145 0.000 2.287 195 L HA 0.597 -1.578 4.340 -10.858 0.000 0.287 195 L C -0.243 176.595 176.870 -0.054 0.000 1.022 195 L CA -0.347 54.543 54.840 0.083 0.000 0.814 195 L CB 0.998 43.087 42.059 0.051 0.000 1.217 195 L HN 0.783 nan 8.230 nan 0.000 0.420 196 C N 6.462 125.669 119.300 -0.155 0.000 2.555 196 C HA 0.280 -1.775 4.460 -10.858 0.000 0.385 196 C C 1.844 176.641 174.990 -0.321 0.000 1.296 196 C CA -0.479 58.172 59.018 -0.611 0.000 1.757 196 C CB -1.346 26.085 27.740 -0.515 0.000 2.445 196 C HN 0.965 nan 8.230 nan 0.000 0.571 197 I N 3.490 123.835 120.570 -0.375 0.000 2.493 197 I HA -0.116 -2.461 4.170 -10.858 0.000 0.254 197 I C 2.441 178.398 176.117 -0.267 0.000 1.160 197 I CA 1.196 62.244 61.300 -0.420 0.000 1.445 197 I CB -0.429 37.124 38.000 -0.746 0.000 1.086 197 I HN 0.799 nan 8.210 nan 0.000 0.433 198 E N 1.200 121.349 120.200 -0.086 0.000 2.077 198 E HA -0.264 -2.429 4.350 -10.858 0.000 0.193 198 E C 1.331 178.020 176.600 0.148 0.000 0.989 198 E CA 1.736 58.235 56.400 0.164 0.000 0.800 198 E CB 0.173 29.971 29.700 0.164 0.000 0.746 198 E HN 0.630 nan 8.360 nan 0.000 0.452 199 D N -2.767 117.679 120.400 0.077 0.000 2.502 199 D HA 0.080 -1.795 4.640 -10.858 0.000 0.232 199 D C 1.029 177.369 176.300 0.066 0.000 1.137 199 D CA 0.751 54.804 54.000 0.090 0.000 0.827 199 D CB 0.645 41.511 40.800 0.111 0.000 1.141 199 D HN 0.250 nan 8.370 nan 0.000 0.517 200 G N 1.104 109.927 108.800 0.037 0.000 2.132 200 G HA2 -0.221 -2.776 3.960 -10.858 0.000 0.228 200 G HA3 -0.221 -2.776 3.960 -10.858 0.000 0.228 200 G C 0.188 175.146 174.900 0.096 0.000 1.000 200 G CA 0.387 45.513 45.100 0.045 0.000 0.693 200 G HN 0.811 nan 8.290 nan 0.000 0.515 201 S N -0.743 115.011 115.700 0.090 0.000 2.617 201 S HA 0.817 -1.228 4.470 -10.858 0.000 0.283 201 S C 0.111 174.718 174.600 0.012 0.000 1.189 201 S CA -0.971 57.264 58.200 0.059 0.000 1.036 201 S CB 2.286 65.499 63.200 0.021 0.000 1.014 201 S HN 0.542 nan 8.310 nan 0.000 0.522 202 I N 2.853 123.379 120.570 -0.073 0.000 2.336 202 I HA 0.349 -1.996 4.170 -10.858 0.000 0.292 202 I C 0.009 176.023 176.117 -0.171 0.000 0.991 202 I CA -0.518 60.753 61.300 -0.047 0.000 1.227 202 I CB 0.797 38.773 38.000 -0.041 0.000 1.366 202 I HN 0.604 nan 8.210 nan 0.000 0.466 203 H N 6.225 125.379 119.070 0.141 0.000 2.529 203 H HA 0.453 -1.506 4.556 -10.859 0.000 0.348 203 H C -0.675 174.727 175.328 0.124 0.000 1.079 203 H CA -0.898 55.275 56.048 0.208 0.000 1.198 203 H CB 1.860 31.827 29.762 0.341 0.000 1.521 203 H HN 0.414 nan 8.280 nan 0.000 0.514 204 R N 3.067 123.709 120.500 0.236 0.000 2.471 204 R HA 0.266 -1.909 4.340 -10.858 0.000 0.292 204 R C -0.434 175.969 176.300 0.172 0.000 1.192 204 R CA -0.607 55.575 56.100 0.136 0.000 1.257 204 R CB 0.017 30.365 30.300 0.080 0.000 1.130 204 R HN 0.379 nan 8.270 nan 0.000 0.558 205 I N 4.162 124.779 120.570 0.078 0.000 2.329 205 I HA 0.102 -2.243 4.170 -10.858 0.000 0.295 205 I C 0.724 176.888 176.117 0.079 0.000 1.109 205 I CA 0.001 61.338 61.300 0.061 0.000 1.297 205 I CB 0.034 37.847 38.000 -0.312 0.000 1.433 205 I HN 0.333 nan 8.210 nan 0.000 0.509 206 R N 5.556 126.150 120.500 0.155 0.000 2.474 206 R HA 0.962 -1.213 4.340 -10.858 0.000 0.295 206 R C -0.793 175.598 176.300 0.151 0.000 0.980 206 R CA -0.754 55.414 56.100 0.114 0.000 0.934 206 R CB 1.718 32.071 30.300 0.088 0.000 1.101 206 R HN 0.530 nan 8.270 nan 0.000 0.469 207 A N 1.935 124.819 122.820 0.107 0.000 2.610 207 A HA 0.335 -1.860 4.320 -10.858 0.000 0.291 207 A C 0.065 177.697 177.584 0.081 0.000 1.086 207 A CA -0.918 51.191 52.037 0.119 0.000 0.677 207 A CB 1.620 20.700 19.000 0.134 0.000 1.278 207 A HN 0.898 nan 8.150 nan 0.000 0.414 208 R N -0.131 120.421 120.500 0.087 0.000 2.189 208 R HA -0.010 -2.185 4.340 -10.858 0.000 0.223 208 R C -0.219 176.122 176.300 0.068 0.000 1.092 208 R CA 1.257 57.402 56.100 0.074 0.000 0.989 208 R CB 0.026 30.379 30.300 0.089 0.000 0.876 208 R HN 0.715 nan 8.270 nan 0.000 0.457 209 N N -0.952 117.785 118.700 0.062 0.000 2.284 209 N HA 0.225 -1.550 4.740 -10.858 0.000 0.289 209 N C -1.562 173.979 175.510 0.052 0.000 1.179 209 N CA -0.391 52.707 53.050 0.079 0.000 0.774 209 N CB 2.587 41.103 38.487 0.050 0.000 1.548 209 N HN -0.175 nan 8.380 nan 0.000 0.473 210 T N 0.447 115.058 114.554 0.095 0.000 2.937 210 T HA 0.368 -1.797 4.350 -10.858 0.000 0.297 210 T C -0.451 174.301 174.700 0.087 0.000 0.991 210 T CA -0.450 61.675 62.100 0.043 0.000 0.990 210 T CB 1.620 70.495 68.868 0.011 0.000 0.991 210 T HN 0.098 nan 8.240 nan 0.000 0.440 211 V N 3.478 123.405 119.914 0.023 0.000 2.483 211 V HA 0.587 -1.808 4.120 -10.858 0.000 0.295 211 V C -0.163 175.932 176.094 0.001 0.000 1.035 211 V CA -0.779 61.542 62.300 0.034 0.000 0.896 211 V CB 1.790 33.591 31.823 -0.037 0.000 0.986 211 V HN 0.709 nan 8.190 nan 0.000 0.447 212 V N 3.536 123.457 119.914 0.012 0.000 2.384 212 V HA 0.782 -1.613 4.120 -10.858 0.000 0.287 212 V C 0.360 176.450 176.094 -0.007 0.000 1.020 212 V CA -0.207 62.084 62.300 -0.015 0.000 0.850 212 V CB 1.411 33.218 31.823 -0.027 0.000 0.987 212 V HN 1.021 nan 8.190 nan 0.000 0.436 213 A N 2.571 125.382 122.820 -0.013 0.000 3.453 213 A HA 0.459 -1.736 4.320 -10.858 0.000 0.262 213 A C 0.832 178.410 177.584 -0.010 0.000 1.026 213 A CA 0.290 52.327 52.037 0.000 0.000 0.938 213 A CB 0.379 19.391 19.000 0.019 0.000 1.246 213 A HN 0.845 nan 8.150 nan 0.000 0.546 214 T N -2.437 112.101 114.554 -0.026 0.000 3.129 214 T HA 0.462 -1.703 4.350 -10.858 0.000 0.251 214 T C 1.201 175.886 174.700 -0.026 0.000 1.117 214 T CA 0.929 63.006 62.100 -0.038 0.000 1.034 214 T CB -0.192 68.637 68.868 -0.065 0.000 0.968 214 T HN 2.207 nan 8.240 nan 0.000 0.526 215 G N 0.195 108.983 108.800 -0.020 0.000 2.760 215 G HA2 0.232 -2.323 3.960 -10.858 0.000 0.246 215 G HA3 0.232 -2.323 3.960 -10.858 0.000 0.246 215 G C 0.094 174.957 174.900 -0.061 0.000 1.359 215 G CA -0.600 44.477 45.100 -0.037 0.000 0.861 215 G HN 0.879 nan 8.290 nan 0.000 0.541 216 G N -1.495 107.222 108.800 -0.138 0.000 2.621 216 G HA2 0.642 -1.913 3.960 -10.858 0.000 0.271 216 G HA3 0.642 -1.913 3.960 -10.858 0.000 0.271 216 G C 0.232 175.081 174.900 -0.085 0.000 1.236 216 G CA 0.263 45.241 45.100 -0.203 0.000 0.958 216 G HN 1.772 nan 8.290 nan 0.000 0.512 217 Y N -1.603 118.632 120.300 -0.108 0.000 2.764 217 Y HA 0.517 -1.450 4.550 -10.863 0.000 0.350 217 Y C 1.491 177.377 175.900 -0.024 0.000 0.982 217 Y CA -0.830 57.236 58.100 -0.057 0.000 1.431 217 Y CB 0.187 38.626 38.460 -0.035 0.000 1.326 217 Y HN 0.438 nan 8.280 nan 0.000 0.550 218 G N 1.137 109.848 108.800 -0.149 0.000 2.448 218 G HA2 -0.176 -2.731 3.960 -10.858 0.000 0.219 218 G HA3 -0.176 -2.731 3.960 -10.858 0.000 0.219 218 G C 1.695 176.609 174.900 0.023 0.000 1.127 218 G CA 0.151 45.181 45.100 -0.117 0.000 0.766 218 G HN 0.284 nan 8.290 nan 0.000 0.552 219 R N 0.760 121.275 120.500 0.024 0.000 2.323 219 R HA -0.007 -2.182 4.340 -10.858 0.000 0.198 219 R C 2.525 178.885 176.300 0.100 0.000 0.988 219 R CA 1.113 57.243 56.100 0.049 0.000 1.041 219 R CB -0.817 29.505 30.300 0.037 0.000 0.926 219 R HN 0.566 nan 8.270 nan 0.000 0.476 220 T N -2.632 112.002 114.554 0.134 0.000 2.915 220 T HA -0.071 -2.236 4.350 -10.858 0.000 0.269 220 T C 0.811 175.467 174.700 -0.074 0.000 1.071 220 T CA 0.883 63.007 62.100 0.040 0.000 1.132 220 T CB -0.161 68.736 68.868 0.047 0.000 0.878 220 T HN 0.036 nan 8.240 nan 0.000 0.479 221 Y N -0.779 119.578 120.300 0.095 0.000 2.488 221 Y HA 0.511 -1.457 4.550 -10.863 0.000 0.325 221 Y C 0.960 176.952 175.900 0.154 0.000 1.204 221 Y CA -2.032 56.147 58.100 0.132 0.000 1.229 221 Y CB 0.640 39.163 38.460 0.104 0.000 1.274 221 Y HN -0.079 nan 8.280 nan 0.000 0.493 222 F N 0.258 120.343 119.950 0.226 0.000 2.118 222 F HA 0.011 -1.978 4.527 -10.860 0.000 0.293 222 F C 1.197 177.056 175.800 0.098 0.000 1.102 222 F CA 1.140 59.219 58.000 0.131 0.000 1.247 222 F CB -0.096 38.972 39.000 0.115 0.000 1.017 222 F HN 0.296 nan 8.300 nan 0.000 0.475 223 S N 1.204 116.942 115.700 0.063 0.000 2.461 223 S HA 0.537 -1.508 4.470 -10.858 0.000 0.322 223 S C -0.700 173.883 174.600 -0.028 0.000 1.063 223 S CA -0.546 57.598 58.200 -0.094 0.000 1.120 223 S CB -0.513 62.705 63.200 0.030 0.000 0.968 223 S HN 0.494 nan 8.310 nan 0.000 0.467 224 C N 2.610 121.846 119.300 -0.107 0.000 3.090 224 C HA 0.745 -1.310 4.460 -10.858 0.000 0.305 224 C C 1.550 176.463 174.990 -0.128 0.000 1.292 224 C CA -0.115 58.843 59.018 -0.099 0.000 1.482 224 C CB 0.735 28.416 27.740 -0.098 0.000 1.897 224 C HN 0.752 nan 8.230 nan 0.000 0.469 225 T N -0.768 113.733 114.554 -0.089 0.000 3.067 225 T HA 0.131 -2.034 4.350 -10.858 0.000 0.261 225 T C 0.805 175.449 174.700 -0.092 0.000 1.110 225 T CA 0.961 63.017 62.100 -0.073 0.000 1.113 225 T CB -0.614 68.272 68.868 0.029 0.000 0.917 225 T HN 1.268 nan 8.240 nan 0.000 0.499 226 S N 1.438 117.035 115.700 -0.172 0.000 2.600 226 S HA 0.679 -1.366 4.470 -10.858 0.000 0.265 226 S C 0.539 174.917 174.600 -0.369 0.000 1.325 226 S CA -0.652 57.345 58.200 -0.338 0.000 1.002 226 S CB 0.625 63.593 63.200 -0.388 0.000 0.921 226 S HN 0.680 nan 8.310 nan 0.000 0.554 227 A N 0.672 123.181 122.820 -0.518 0.000 2.327 227 A HA 0.308 -1.887 4.320 -10.858 0.000 0.255 227 A C 1.228 178.661 177.584 -0.251 0.000 1.099 227 A CA -0.423 51.439 52.037 -0.292 0.000 0.801 227 A CB -0.370 18.533 19.000 -0.161 0.000 1.062 227 A HN 1.014 nan 8.150 nan 0.000 0.496 228 H N 0.199 119.234 119.070 -0.059 0.000 2.491 228 H HA -0.088 -2.047 4.556 -10.858 0.000 0.290 228 H C 1.891 177.213 175.328 -0.011 0.000 1.050 228 H CA 2.064 58.096 56.048 -0.026 0.000 1.309 228 H CB -0.193 29.572 29.762 0.004 0.000 1.392 228 H HN 0.803 nan 8.280 nan 0.000 0.554 229 T N -1.978 112.628 114.554 0.088 0.000 3.129 229 T HA 0.070 -2.096 4.350 -10.858 0.000 0.251 229 T C 1.015 175.722 174.700 0.012 0.000 1.117 229 T CA -0.170 61.972 62.100 0.071 0.000 1.034 229 T CB -0.029 68.889 68.868 0.083 0.000 0.968 229 T HN -0.063 nan 8.240 nan 0.000 0.526 230 S N 2.979 118.639 115.700 -0.066 0.000 3.869 230 S HA 0.253 -1.792 4.470 -10.858 0.000 0.241 230 S C 1.245 175.829 174.600 -0.027 0.000 1.363 230 S CA -0.388 57.750 58.200 -0.102 0.000 0.894 230 S CB -0.149 62.897 63.200 -0.257 0.000 1.519 230 S HN 0.736 nan 8.310 nan 0.000 0.470 231 T N -1.754 112.819 114.554 0.032 0.000 3.044 231 T HA 0.375 -1.790 4.350 -10.858 0.000 0.260 231 T C 1.101 175.861 174.700 0.100 0.000 1.019 231 T CA 0.122 62.271 62.100 0.081 0.000 0.921 231 T CB 0.171 69.101 68.868 0.103 0.000 1.053 231 T HN 0.696 nan 8.240 nan 0.000 0.533 232 G N 2.299 111.149 108.800 0.084 0.000 2.370 232 G HA2 -0.195 -2.750 3.960 -10.858 0.000 0.295 232 G HA3 -0.195 -2.750 3.960 -10.858 0.000 0.295 232 G C 0.217 175.123 174.900 0.010 0.000 1.045 232 G CA 0.191 45.342 45.100 0.086 0.000 1.199 232 G HN 0.462 nan 8.290 nan 0.000 0.513 233 D N 0.295 120.679 120.400 -0.027 0.000 2.120 233 D HA -0.041 -1.916 4.640 -10.858 0.000 0.202 233 D C 2.512 178.755 176.300 -0.096 0.000 0.972 233 D CA 1.389 55.343 54.000 -0.078 0.000 0.837 233 D CB -0.534 40.143 40.800 -0.204 0.000 0.989 233 D HN 0.561 nan 8.370 nan 0.000 0.469 234 G N 0.989 109.732 108.800 -0.095 0.000 2.432 234 G HA2 -0.256 -2.811 3.960 -10.858 0.000 0.219 234 G HA3 -0.256 -2.811 3.960 -10.858 0.000 0.219 234 G C 1.750 176.608 174.900 -0.071 0.000 1.135 234 G CA 1.898 46.947 45.100 -0.085 0.000 0.767 234 G HN 0.378 nan 8.290 nan 0.000 0.550 235 T N -0.537 113.978 114.554 -0.064 0.000 2.788 235 T HA 0.125 -2.040 4.350 -10.858 0.000 0.268 235 T C 2.526 177.166 174.700 -0.101 0.000 1.044 235 T CA 1.658 63.707 62.100 -0.084 0.000 1.139 235 T CB -0.324 68.485 68.868 -0.098 0.000 0.867 235 T HN 0.315 nan 8.240 nan 0.000 0.454 236 A N 1.251 124.019 122.820 -0.087 0.000 1.970 236 A HA 0.280 -1.915 4.320 -10.858 0.000 0.216 236 A C 2.431 179.986 177.584 -0.050 0.000 1.170 236 A CA 1.079 53.077 52.037 -0.067 0.000 0.645 236 A CB -0.697 18.280 19.000 -0.038 0.000 0.816 236 A HN 0.521 nan 8.150 nan 0.000 0.447 237 M N -0.758 118.807 119.600 -0.058 0.000 2.117 237 M HA -0.116 -2.151 4.480 -10.858 0.000 0.262 237 M C 2.006 178.277 176.300 -0.049 0.000 1.065 237 M CA 1.295 56.563 55.300 -0.053 0.000 1.114 237 M CB -0.358 32.200 32.600 -0.070 0.000 1.361 237 M HN 0.220 nan 8.290 nan 0.000 0.408 238 V N -0.336 119.543 119.914 -0.059 0.000 2.427 238 V HA -0.219 -2.614 4.120 -10.858 0.000 0.248 238 V C 2.304 178.364 176.094 -0.057 0.000 1.051 238 V CA 2.049 64.313 62.300 -0.060 0.000 1.048 238 V CB -0.884 30.895 31.823 -0.075 0.000 0.666 238 V HN 0.488 nan 8.190 nan 0.000 0.456 239 T N -0.362 114.151 114.554 -0.067 0.000 2.708 239 T HA -0.188 -2.353 4.350 -10.858 0.000 0.266 239 T C 2.042 176.726 174.700 -0.026 0.000 1.037 239 T CA 1.446 63.508 62.100 -0.064 0.000 1.146 239 T CB -0.223 68.594 68.868 -0.085 0.000 0.865 239 T HN 0.395 nan 8.240 nan 0.000 0.435 240 R N 0.669 121.159 120.500 -0.018 0.000 2.235 240 R HA 0.169 -2.007 4.340 -10.858 0.000 0.213 240 R C 2.224 178.524 176.300 0.000 0.000 1.059 240 R CA 0.750 56.850 56.100 -0.001 0.000 0.997 240 R CB -0.099 30.203 30.300 0.002 0.000 0.884 240 R HN 0.266 nan 8.270 nan 0.000 0.462 241 A N 0.049 122.866 122.820 -0.005 0.000 2.251 241 A HA 0.227 -1.968 4.320 -10.858 0.000 0.209 241 A C 1.338 178.931 177.584 0.015 0.000 1.187 241 A CA 0.664 52.700 52.037 -0.002 0.000 0.823 241 A CB -0.025 18.967 19.000 -0.013 0.000 0.846 241 A HN 0.401 nan 8.150 nan 0.000 0.486 242 G N -1.283 107.538 108.800 0.034 0.000 2.143 242 G HA2 -0.218 -2.773 3.960 -10.858 0.000 0.249 242 G HA3 -0.218 -2.773 3.960 -10.858 0.000 0.249 242 G C 0.040 175.032 174.900 0.154 0.000 0.981 242 G CA 0.416 45.564 45.100 0.081 0.000 0.665 242 G HN 0.449 nan 8.290 nan 0.000 0.528 243 L N 1.810 123.081 121.223 0.080 0.000 2.343 243 L HA 0.528 -1.648 4.340 -10.858 0.000 0.275 243 L C -1.405 175.405 176.870 -0.100 0.000 1.056 243 L CA -2.375 52.493 54.840 0.047 0.000 0.804 243 L CB 1.354 43.405 42.059 -0.014 0.000 1.203 243 L HN -0.056 nan 8.230 nan 0.000 0.440 244 P HA 0.121 nan 4.420 nan 0.000 0.274 244 P C -1.179 175.900 177.300 -0.369 0.000 1.237 244 P CA -0.500 62.186 63.100 -0.690 0.000 0.793 244 P CB 1.071 32.303 31.700 -0.780 0.000 0.977 245 C N 1.359 120.442 119.300 -0.362 0.000 2.379 245 C HA 0.419 -1.636 4.460 -10.858 0.000 0.323 245 C C 0.325 175.204 174.990 -0.184 0.000 1.262 245 C CA -0.179 58.707 59.018 -0.220 0.000 1.581 245 C CB 0.892 28.520 27.740 -0.187 0.000 2.221 245 C HN 0.570 nan 8.230 nan 0.000 0.497 246 Q N 1.545 121.273 119.800 -0.119 0.000 2.241 246 Q HA 0.235 -1.940 4.340 -10.858 0.000 0.254 246 Q C -0.523 175.499 176.000 0.036 0.000 0.917 246 Q CA -0.012 55.750 55.803 -0.069 0.000 0.919 246 Q CB 0.632 29.299 28.738 -0.118 0.000 1.237 246 Q HN 0.786 nan 8.270 nan 0.000 0.434 247 D N 3.056 123.534 120.400 0.131 0.000 2.697 247 D HA -0.220 -2.096 4.640 -10.858 0.000 0.235 247 D C 0.331 176.825 176.300 0.323 0.000 1.167 247 D CA 0.730 54.923 54.000 0.322 0.000 0.656 247 D CB -0.846 40.133 40.800 0.300 0.000 1.025 247 D HN 0.648 nan 8.370 nan 0.000 0.419 248 L N 0.192 121.528 121.223 0.188 0.000 2.395 248 L HA -0.094 -2.270 4.340 -10.858 0.000 0.218 248 L C 2.537 179.536 176.870 0.215 0.000 1.130 248 L CA 0.779 55.739 54.840 0.200 0.000 0.826 248 L CB -0.144 41.950 42.059 0.058 0.000 0.941 248 L HN 0.225 nan 8.230 nan 0.000 0.451 249 E N 0.507 120.763 120.200 0.093 0.000 2.285 249 E HA -0.153 -2.318 4.350 -10.858 0.000 0.194 249 E C 0.263 176.832 176.600 -0.052 0.000 0.997 249 E CA 0.295 56.672 56.400 -0.038 0.000 0.845 249 E CB -0.240 29.285 29.700 -0.291 0.000 0.782 249 E HN 0.272 nan 8.360 nan 0.000 0.491 250 F N 1.961 121.983 119.950 0.120 0.000 2.462 250 F HA 0.205 -1.792 4.527 -10.873 0.000 0.360 250 F C -0.040 175.807 175.800 0.077 0.000 1.134 250 F CA -0.373 57.701 58.000 0.125 0.000 1.148 250 F CB 0.981 40.049 39.000 0.113 0.000 1.147 250 F HN -0.283 nan 8.300 nan 0.000 0.550 251 V N 4.019 124.030 119.914 0.161 0.000 2.531 251 V HA 0.265 -2.130 4.120 -10.858 0.000 0.301 251 V C -0.180 175.804 176.094 -0.183 0.000 1.034 251 V CA -1.026 61.231 62.300 -0.072 0.000 0.865 251 V CB 1.663 33.372 31.823 -0.189 0.000 0.995 251 V HN 0.620 nan 8.190 nan 0.000 0.424 252 Q N 2.964 122.669 119.800 -0.157 0.000 2.288 252 Q HA 0.469 -1.706 4.340 -10.858 0.000 0.254 252 Q C -1.613 174.197 176.000 -0.317 0.000 0.932 252 Q CA -0.252 55.508 55.803 -0.072 0.000 0.902 252 Q CB 0.839 29.652 28.738 0.126 0.000 1.203 252 Q HN 0.635 nan 8.270 nan 0.000 0.415 253 F N 2.689 122.647 119.950 0.012 0.000 2.347 253 F HA 0.202 -1.790 4.527 -10.865 0.000 0.366 253 F C -0.121 175.677 175.800 -0.004 0.000 1.107 253 F CA -0.777 57.222 58.000 -0.002 0.000 1.058 253 F CB 0.905 39.875 39.000 -0.049 0.000 1.236 253 F HN 0.624 nan 8.300 nan 0.000 0.456 254 H N 5.184 124.284 119.070 0.050 0.000 2.929 254 H HA 0.118 -1.842 4.556 -10.859 0.000 0.317 254 H C -1.728 173.591 175.328 -0.014 0.000 1.031 254 H CA -1.117 54.868 56.048 -0.104 0.000 1.466 254 H CB 1.140 30.713 29.762 -0.314 0.000 1.482 254 H HN 0.304 nan 8.280 nan 0.000 0.561 255 P HA -0.128 nan 4.420 nan 0.000 0.216 255 P C -0.222 177.141 177.300 0.104 0.000 1.153 255 P CA 1.601 64.682 63.100 -0.031 0.000 0.858 255 P CB 0.232 31.846 31.700 -0.144 0.000 0.789 256 T N -2.607 112.083 114.554 0.227 0.000 2.770 256 T HA 0.730 -1.435 4.350 -10.858 0.000 0.283 256 T C -0.013 174.792 174.700 0.175 0.000 0.988 256 T CA -0.728 61.490 62.100 0.197 0.000 0.957 256 T CB 1.667 70.619 68.868 0.140 0.000 0.930 256 T HN 0.131 nan 8.240 nan 0.000 0.443 257 G N 2.559 111.415 108.800 0.093 0.000 2.702 257 G HA2 0.504 -2.051 3.960 -10.858 0.000 0.296 257 G HA3 0.504 -2.051 3.960 -10.858 0.000 0.296 257 G C -0.913 173.998 174.900 0.018 0.000 1.463 257 G CA -1.082 44.035 45.100 0.028 0.000 0.890 257 G HN 0.826 nan 8.290 nan 0.000 0.534 258 I N 1.692 122.247 120.570 -0.025 0.000 2.826 258 I HA -0.029 -2.374 4.170 -10.858 0.000 0.295 258 I C 1.576 177.694 176.117 0.002 0.000 1.213 258 I CA -0.019 61.270 61.300 -0.019 0.000 1.436 258 I CB 0.416 38.386 38.000 -0.050 0.000 1.348 258 I HN 0.649 nan 8.210 nan 0.000 0.570 259 Y N 6.159 126.388 120.300 -0.118 0.000 2.224 259 Y HA -0.133 -2.098 4.550 -10.859 0.000 0.289 259 Y C 1.873 177.727 175.900 -0.077 0.000 1.146 259 Y CA 1.647 59.668 58.100 -0.132 0.000 1.182 259 Y CB -0.391 37.863 38.460 -0.342 0.000 0.983 259 Y HN 0.659 nan 8.280 nan 0.000 0.524 260 G N -0.218 108.495 108.800 -0.145 0.000 2.688 260 G HA2 -0.077 -2.632 3.960 -10.858 0.000 0.211 260 G HA3 -0.077 -2.632 3.960 -10.858 0.000 0.211 260 G C 1.754 176.555 174.900 -0.165 0.000 1.399 260 G CA 0.923 45.920 45.100 -0.170 0.000 0.901 260 G HN 0.516 nan 8.290 nan 0.000 0.555 261 A N -0.992 121.768 122.820 -0.100 0.000 2.015 261 A HA 0.375 -1.820 4.320 -10.858 0.000 0.219 261 A C 2.084 179.530 177.584 -0.230 0.000 1.163 261 A CA 1.983 53.931 52.037 -0.149 0.000 0.646 261 A CB -0.628 18.265 19.000 -0.177 0.000 0.806 261 A HN 2.071 nan 8.150 nan 0.000 0.448 262 G N -2.686 105.982 108.800 -0.221 0.000 2.148 262 G HA2 -0.205 -2.760 3.960 -10.858 0.000 0.203 262 G HA3 -0.205 -2.760 3.960 -10.858 0.000 0.203 262 G C 0.187 174.968 174.900 -0.198 0.000 0.993 262 G CA -0.157 44.831 45.100 -0.186 0.000 0.661 262 G HN 0.652 nan 8.290 nan 0.000 0.518 263 C N -0.046 119.082 119.300 -0.285 0.000 2.705 263 C HA 0.591 -1.464 4.460 -10.858 0.000 0.382 263 C C 1.147 176.037 174.990 -0.166 0.000 1.322 263 C CA -0.351 58.494 59.018 -0.288 0.000 2.290 263 C CB 0.537 27.977 27.740 -0.500 0.000 2.650 263 C HN 0.660 nan 8.230 nan 0.000 0.695 264 L N 2.225 123.368 121.223 -0.133 0.000 2.326 264 L HA 0.546 -1.629 4.340 -10.858 0.000 0.278 264 L C -0.543 176.275 176.870 -0.088 0.000 1.092 264 L CA 0.283 55.050 54.840 -0.121 0.000 0.810 264 L CB 0.326 42.306 42.059 -0.132 0.000 1.153 264 L HN 0.521 nan 8.230 nan 0.000 0.439 265 I N 4.480 125.010 120.570 -0.066 0.000 2.328 265 I HA 0.220 -2.125 4.170 -10.858 0.000 0.287 265 I C 0.584 176.705 176.117 0.007 0.000 1.012 265 I CA -0.287 61.005 61.300 -0.014 0.000 1.195 265 I CB 1.460 39.467 38.000 0.013 0.000 1.350 265 I HN 0.583 nan 8.210 nan 0.000 0.464 266 T N 3.278 117.848 114.554 0.026 0.000 2.795 266 T HA -0.046 -2.211 4.350 -10.858 0.000 0.314 266 T C 1.126 175.909 174.700 0.138 0.000 1.069 266 T CA 0.156 62.312 62.100 0.092 0.000 1.071 266 T CB 0.628 69.582 68.868 0.144 0.000 0.988 266 T HN 0.784 nan 8.240 nan 0.000 0.543 267 E N 1.273 121.561 120.200 0.148 0.000 2.516 267 E HA 0.035 -2.130 4.350 -10.858 0.000 0.199 267 E C 1.891 178.221 176.600 -0.451 0.000 1.069 267 E CA 0.466 56.708 56.400 -0.263 0.000 0.876 267 E CB -0.619 28.713 29.700 -0.613 0.000 0.843 267 E HN 0.892 nan 8.360 nan 0.000 0.530 268 G N 0.299 109.101 108.800 0.003 0.000 2.448 268 G HA2 -0.278 -2.833 3.960 -10.858 0.000 0.219 268 G HA3 -0.278 -2.833 3.960 -10.858 0.000 0.219 268 G C 1.534 176.466 174.900 0.052 0.000 1.127 268 G CA 0.813 46.015 45.100 0.170 0.000 0.766 268 G HN 0.382 nan 8.290 nan 0.000 0.552 269 C N 0.176 119.483 119.300 0.011 0.000 2.442 269 C HA 0.065 -1.990 4.460 -10.858 0.000 0.279 269 C C 1.775 176.748 174.990 -0.028 0.000 1.237 269 C CA -0.044 58.976 59.018 0.003 0.000 1.722 269 C CB -0.809 26.936 27.740 0.009 0.000 2.056 269 C HN 0.316 nan 8.230 nan 0.000 0.469 270 R N 1.259 121.705 120.500 -0.089 0.000 3.247 270 R HA 0.355 -1.820 4.340 -10.858 0.000 0.212 270 R C 0.880 177.084 176.300 -0.160 0.000 1.604 270 R CA 0.548 56.577 56.100 -0.118 0.000 1.279 270 R CB -0.467 29.736 30.300 -0.162 0.000 1.277 270 R HN 0.802 nan 8.270 nan 0.000 0.669 271 G N 0.533 109.297 108.800 -0.060 0.000 3.914 271 G HA2 -0.152 -2.707 3.960 -10.858 0.000 0.187 271 G HA3 -0.152 -2.707 3.960 -10.858 0.000 0.187 271 G C 0.792 175.738 174.900 0.077 0.000 0.927 271 G CA -0.483 44.612 45.100 -0.008 0.000 0.893 271 G HN 0.318 nan 8.290 nan 0.000 0.354 272 E N 0.780 121.030 120.200 0.083 0.000 2.216 272 E HA 0.215 -1.950 4.350 -10.858 0.000 0.192 272 E C 1.693 178.338 176.600 0.075 0.000 0.988 272 E CA 1.259 57.722 56.400 0.105 0.000 0.834 272 E CB 0.406 30.167 29.700 0.101 0.000 0.772 272 E HN 1.042 nan 8.360 nan 0.000 0.479 273 G N 0.551 109.384 108.800 0.055 0.000 3.136 273 G HA2 -0.058 -2.613 3.960 -10.858 0.000 0.221 273 G HA3 -0.058 -2.613 3.960 -10.858 0.000 0.221 273 G C 0.337 175.286 174.900 0.082 0.000 0.961 273 G CA -0.291 44.852 45.100 0.072 0.000 0.983 273 G HN 0.347 nan 8.290 nan 0.000 0.648 274 G N 0.222 109.048 108.800 0.044 0.000 2.432 274 G HA2 0.585 -1.970 3.960 -10.858 0.000 0.257 274 G HA3 0.585 -1.970 3.960 -10.858 0.000 0.257 274 G C -0.086 174.865 174.900 0.085 0.000 1.238 274 G CA -0.241 44.894 45.100 0.057 0.000 0.838 274 G HN 0.312 nan 8.290 nan 0.000 0.547 275 I N 0.967 121.624 120.570 0.146 0.000 2.740 275 I HA 0.409 -1.936 4.170 -10.858 0.000 0.303 275 I C -0.794 175.359 176.117 0.060 0.000 1.044 275 I CA -1.134 60.215 61.300 0.081 0.000 1.064 275 I CB 1.805 39.858 38.000 0.089 0.000 1.249 275 I HN 0.151 nan 8.210 nan 0.000 0.433 276 L N 4.908 126.109 121.223 -0.037 0.000 2.307 276 L HA 0.550 -1.625 4.340 -10.858 0.000 0.284 276 L C -0.511 176.410 176.870 0.084 0.000 1.023 276 L CA -0.223 54.620 54.840 0.005 0.000 0.810 276 L CB 1.313 43.263 42.059 -0.181 0.000 1.231 276 L HN 0.342 nan 8.230 nan 0.000 0.423 277 I N 2.959 123.731 120.570 0.337 0.000 2.582 277 I HA 0.372 -1.973 4.170 -10.858 0.000 0.292 277 I C 0.021 176.366 176.117 0.380 0.000 1.066 277 I CA -0.304 61.200 61.300 0.340 0.000 1.053 277 I CB 1.940 40.046 38.000 0.176 0.000 1.241 277 I HN 0.763 nan 8.210 nan 0.000 0.421 278 N N 2.171 121.044 118.700 0.287 0.000 2.620 278 N HA 0.304 -1.471 4.740 -10.858 0.000 0.307 278 N C 1.005 176.482 175.510 -0.056 0.000 1.316 278 N CA -0.038 53.022 53.050 0.018 0.000 0.931 278 N CB 0.178 38.571 38.487 -0.157 0.000 1.116 278 N HN 0.470 nan 8.380 nan 0.000 0.573 279 S N -1.765 113.870 115.700 -0.108 0.000 2.382 279 S HA -0.288 -2.333 4.470 -10.858 0.000 0.228 279 S C 1.770 176.308 174.600 -0.102 0.000 1.027 279 S CA 1.165 59.286 58.200 -0.132 0.000 0.991 279 S CB -0.751 62.375 63.200 -0.123 0.000 0.823 279 S HN 0.687 nan 8.310 nan 0.000 0.469 280 Q N 1.185 120.949 119.800 -0.060 0.000 2.172 280 Q HA 0.138 -2.037 4.340 -10.858 0.000 0.200 280 Q C 1.470 177.449 176.000 -0.035 0.000 0.964 280 Q CA 1.061 56.839 55.803 -0.042 0.000 0.855 280 Q CB -0.212 28.514 28.738 -0.020 0.000 0.918 280 Q HN 0.838 nan 8.270 nan 0.000 0.444 281 G N 0.821 109.612 108.800 -0.016 0.000 2.192 281 G HA2 -0.221 -2.776 3.960 -10.858 0.000 0.193 281 G HA3 -0.221 -2.776 3.960 -10.858 0.000 0.193 281 G C -0.211 174.708 174.900 0.031 0.000 0.999 281 G CA 0.109 45.206 45.100 -0.006 0.000 0.659 281 G HN 0.393 nan 8.290 nan 0.000 0.503 282 E N 0.688 120.925 120.200 0.061 0.000 2.373 282 E HA 0.314 -1.851 4.350 -10.858 0.000 0.267 282 E C 0.515 177.198 176.600 0.138 0.000 1.032 282 E CA -0.707 55.741 56.400 0.081 0.000 0.889 282 E CB 0.378 30.130 29.700 0.087 0.000 0.984 282 E HN 0.299 nan 8.360 nan 0.000 0.425 283 R N 4.987 125.527 120.500 0.066 0.000 2.605 283 R HA 0.013 -2.162 4.340 -10.858 0.000 0.271 283 R C 0.791 177.102 176.300 0.018 0.000 1.418 283 R CA -0.067 56.035 56.100 0.003 0.000 1.102 283 R CB -0.371 29.900 30.300 -0.047 0.000 1.131 283 R HN 0.539 nan 8.270 nan 0.000 0.554 284 F N 2.197 122.194 119.950 0.078 0.000 2.325 284 F HA -0.073 -2.062 4.527 -10.860 0.000 0.299 284 F C 1.343 177.280 175.800 0.229 0.000 1.090 284 F CA 0.281 58.367 58.000 0.144 0.000 1.392 284 F CB -0.139 38.964 39.000 0.171 0.000 1.053 284 F HN 0.295 nan 8.300 nan 0.000 0.521 285 M N 0.977 120.284 119.600 -0.488 0.000 2.394 285 M HA -0.085 -2.120 4.480 -10.858 0.000 0.264 285 M C 1.984 178.271 176.300 -0.023 0.000 1.073 285 M CA 1.097 56.252 55.300 -0.242 0.000 1.111 285 M CB -1.125 31.207 32.600 -0.447 0.000 1.401 285 M HN 0.433 nan 8.290 nan 0.000 0.448 286 E N -0.336 119.840 120.200 -0.040 0.000 2.358 286 E HA -0.112 -2.277 4.350 -10.858 0.000 0.195 286 E C 2.083 178.693 176.600 0.017 0.000 1.010 286 E CA 0.300 56.697 56.400 -0.006 0.000 0.856 286 E CB 0.282 29.967 29.700 -0.025 0.000 0.795 286 E HN 0.349 nan 8.360 nan 0.000 0.504 287 R N -0.939 119.580 120.500 0.032 0.000 2.127 287 R HA -0.059 -2.234 4.340 -10.858 0.000 0.217 287 R C 1.250 177.478 176.300 -0.120 0.000 1.074 287 R CA 0.916 56.980 56.100 -0.059 0.000 0.991 287 R CB 0.115 30.350 30.300 -0.108 0.000 0.895 287 R HN 0.226 nan 8.270 nan 0.000 0.450 288 Y N -0.723 119.613 120.300 0.061 0.000 2.448 288 Y HA 0.297 -1.668 4.550 -10.859 0.000 0.289 288 Y C 0.554 176.490 175.900 0.060 0.000 1.114 288 Y CA 0.360 58.504 58.100 0.073 0.000 1.235 288 Y CB 0.578 39.101 38.460 0.105 0.000 1.045 288 Y HN 0.025 nan 8.280 nan 0.000 0.554 289 A N -0.011 122.916 122.820 0.179 0.000 2.319 289 A HA 0.489 -1.706 4.320 -10.858 0.000 0.310 289 A C -2.267 175.362 177.584 0.075 0.000 1.152 289 A CA -1.574 50.538 52.037 0.125 0.000 0.783 289 A CB 0.994 20.062 19.000 0.113 0.000 1.184 289 A HN -0.055 nan 8.150 nan 0.000 0.474 290 P HA -0.052 nan 4.420 nan 0.000 0.203 290 P C 0.516 177.839 177.300 0.037 0.000 1.202 290 P CA 1.014 64.139 63.100 0.040 0.000 0.917 290 P CB 0.143 31.865 31.700 0.037 0.000 0.750 291 V N -1.164 118.777 119.914 0.045 0.000 2.838 291 V HA 0.525 -1.870 4.120 -10.858 0.000 0.356 291 V C 0.821 176.953 176.094 0.063 0.000 1.302 291 V CA 0.603 62.927 62.300 0.041 0.000 1.495 291 V CB -0.797 31.044 31.823 0.031 0.000 1.505 291 V HN 0.210 nan 8.190 nan 0.000 0.574 292 A N 0.089 122.948 122.820 0.065 0.000 1.857 292 A HA 0.395 -1.800 4.320 -10.858 0.000 0.198 292 A C 0.949 178.541 177.584 0.014 0.000 1.775 292 A CA 0.499 52.579 52.037 0.072 0.000 1.281 292 A CB 0.336 19.426 19.000 0.150 0.000 1.355 292 A HN 0.442 nan 8.150 nan 0.000 0.417 293 K N -0.403 120.001 120.400 0.007 0.000 1.888 293 K HA -0.229 -2.425 4.320 -10.858 0.000 0.330 293 K C -0.413 176.142 176.600 -0.075 0.000 1.719 293 K CA 1.529 57.795 56.287 -0.035 0.000 0.669 293 K CB -1.056 31.421 32.500 -0.039 0.000 0.941 293 K HN 0.562 nan 8.250 nan 0.000 0.795 294 D N 0.571 120.901 120.400 -0.116 0.000 2.344 294 D HA 0.144 -1.731 4.640 -10.858 0.000 0.242 294 D C 0.577 176.792 176.300 -0.141 0.000 1.159 294 D CA 0.087 53.996 54.000 -0.151 0.000 0.859 294 D CB 0.126 40.817 40.800 -0.182 0.000 0.925 294 D HN 0.271 nan 8.370 nan 0.000 0.510 295 L N -0.293 120.857 121.223 -0.122 0.000 3.066 295 L HA 0.546 -1.629 4.340 -10.858 0.000 0.265 295 L C 0.517 177.282 176.870 -0.176 0.000 1.232 295 L CA -0.584 54.169 54.840 -0.144 0.000 1.031 295 L CB -0.306 41.695 42.059 -0.097 0.000 1.379 295 L HN 0.115 nan 8.230 nan 0.000 0.563 296 A N -1.144 121.564 122.820 -0.186 0.000 2.336 296 A HA 0.647 -1.548 4.320 -10.858 0.000 0.278 296 A C 0.664 178.032 177.584 -0.360 0.000 1.371 296 A CA -0.207 51.663 52.037 -0.278 0.000 0.842 296 A CB -0.075 18.840 19.000 -0.142 0.000 1.363 296 A HN 0.295 nan 8.150 nan 0.000 0.517 297 S N -0.458 114.976 115.700 -0.444 0.000 2.589 297 S HA 0.149 -1.896 4.470 -10.858 0.000 0.265 297 S C 1.528 176.002 174.600 -0.210 0.000 1.342 297 S CA -0.596 57.400 58.200 -0.340 0.000 1.005 297 S CB 0.479 63.509 63.200 -0.283 0.000 0.909 297 S HN 0.556 nan 8.310 nan 0.000 0.555 298 R N 1.618 122.011 120.500 -0.178 0.000 2.091 298 R HA -0.138 -2.313 4.340 -10.858 0.000 0.238 298 R C 1.728 177.967 176.300 -0.102 0.000 1.136 298 R CA 1.864 57.861 56.100 -0.171 0.000 0.959 298 R CB -0.703 29.513 30.300 -0.140 0.000 0.856 298 R HN 0.826 nan 8.270 nan 0.000 0.437 299 D N -0.254 120.116 120.400 -0.051 0.000 2.183 299 D HA -0.070 -1.945 4.640 -10.858 0.000 0.205 299 D C 1.890 178.167 176.300 -0.039 0.000 0.962 299 D CA 0.635 54.627 54.000 -0.013 0.000 0.849 299 D CB -0.478 40.340 40.800 0.030 0.000 0.978 299 D HN 0.031 nan 8.370 nan 0.000 0.488 300 V N 1.028 120.921 119.914 -0.035 0.000 2.453 300 V HA -0.168 -2.563 4.120 -10.858 0.000 0.247 300 V C 2.911 178.979 176.094 -0.042 0.000 1.048 300 V CA 1.050 63.341 62.300 -0.014 0.000 1.049 300 V CB -0.333 31.509 31.823 0.033 0.000 0.672 300 V HN 0.085 nan 8.190 nan 0.000 0.457 301 V N 1.247 121.119 119.914 -0.070 0.000 2.307 301 V HA -0.204 -2.599 4.120 -10.858 0.000 0.245 301 V C 2.724 178.800 176.094 -0.031 0.000 1.045 301 V CA 2.258 64.519 62.300 -0.065 0.000 1.024 301 V CB -0.869 30.886 31.823 -0.113 0.000 0.651 301 V HN 0.742 nan 8.190 nan 0.000 0.449 302 S N 0.414 116.085 115.700 -0.048 0.000 2.423 302 S HA -0.229 -2.274 4.470 -10.858 0.000 0.231 302 S C 2.009 176.573 174.600 -0.061 0.000 1.014 302 S CA 1.362 59.544 58.200 -0.029 0.000 0.965 302 S CB -0.438 62.758 63.200 -0.007 0.000 0.785 302 S HN 0.456 nan 8.310 nan 0.000 0.495 303 R N 1.734 122.180 120.500 -0.090 0.000 2.081 303 R HA 0.060 -2.115 4.340 -10.858 0.000 0.235 303 R C 2.380 178.657 176.300 -0.038 0.000 1.131 303 R CA 1.845 57.886 56.100 -0.100 0.000 0.960 303 R CB -0.791 29.439 30.300 -0.117 0.000 0.856 303 R HN 0.489 nan 8.270 nan 0.000 0.436 304 S N -0.119 115.476 115.700 -0.175 0.000 2.387 304 S HA -0.081 -2.126 4.470 -10.858 0.000 0.226 304 S C 1.869 176.337 174.600 -0.220 0.000 1.026 304 S CA 1.389 59.313 58.200 -0.460 0.000 0.972 304 S CB -0.132 62.683 63.200 -0.643 0.000 0.814 304 S HN 0.279 nan 8.310 nan 0.000 0.477 305 M N 0.776 120.356 119.600 -0.033 0.000 2.117 305 M HA -0.111 -2.147 4.480 -10.858 0.000 0.262 305 M C 2.575 178.815 176.300 -0.100 0.000 1.065 305 M CA 1.482 56.748 55.300 -0.057 0.000 1.114 305 M CB -0.746 31.899 32.600 0.075 0.000 1.361 305 M HN 0.279 nan 8.290 nan 0.000 0.408 306 T N 0.182 114.714 114.554 -0.037 0.000 2.995 306 T HA -0.045 -2.211 4.350 -10.858 0.000 0.269 306 T C 1.518 176.207 174.700 -0.017 0.000 1.091 306 T CA 0.688 62.782 62.100 -0.010 0.000 1.128 306 T CB 0.016 68.894 68.868 0.016 0.000 0.891 306 T HN 0.184 nan 8.240 nan 0.000 0.492 307 L N 0.931 122.141 121.223 -0.021 0.000 2.179 307 L HA 0.175 -2.000 4.340 -10.858 0.000 0.208 307 L C 2.389 179.205 176.870 -0.091 0.000 1.096 307 L CA 1.516 56.307 54.840 -0.081 0.000 0.779 307 L CB -0.340 41.689 42.059 -0.051 0.000 0.922 307 L HN 0.130 nan 8.230 nan 0.000 0.443 308 E N -0.213 119.907 120.200 -0.133 0.000 2.204 308 E HA -0.163 -2.329 4.350 -10.858 0.000 0.194 308 E C 2.219 178.733 176.600 -0.143 0.000 0.989 308 E CA 1.351 57.655 56.400 -0.161 0.000 0.824 308 E CB -0.111 29.368 29.700 -0.368 0.000 0.756 308 E HN 0.582 nan 8.360 nan 0.000 0.477 309 I N 0.874 121.368 120.570 -0.127 0.000 2.353 309 I HA -0.196 -2.542 4.170 -10.858 0.000 0.248 309 I C 2.273 178.339 176.117 -0.085 0.000 1.119 309 I CA 0.637 61.877 61.300 -0.099 0.000 1.417 309 I CB -0.163 37.797 38.000 -0.066 0.000 1.078 309 I HN -0.078 nan 8.210 nan 0.000 0.421 310 R N 1.088 121.532 120.500 -0.093 0.000 2.120 310 R HA -0.099 -2.274 4.340 -10.858 0.000 0.234 310 R C 1.825 178.074 176.300 -0.086 0.000 1.123 310 R CA 0.976 57.015 56.100 -0.100 0.000 0.975 310 R CB -0.659 29.552 30.300 -0.149 0.000 0.866 310 R HN 0.461 nan 8.270 nan 0.000 0.446 311 E N -0.405 119.749 120.200 -0.078 0.000 2.208 311 E HA -0.027 -2.192 4.350 -10.858 0.000 0.193 311 E C 1.139 177.702 176.600 -0.061 0.000 0.988 311 E CA 1.033 57.396 56.400 -0.061 0.000 0.828 311 E CB 0.045 29.718 29.700 -0.045 0.000 0.763 311 E HN 0.542 nan 8.360 nan 0.000 0.478 312 G N 1.534 110.292 108.800 -0.070 0.000 2.148 312 G HA2 -0.270 -2.825 3.960 -10.858 0.000 0.203 312 G HA3 -0.270 -2.825 3.960 -10.858 0.000 0.203 312 G C 0.668 175.520 174.900 -0.080 0.000 0.993 312 G CA 0.072 45.130 45.100 -0.069 0.000 0.661 312 G HN 0.204 nan 8.290 nan 0.000 0.518 313 R N 0.733 121.178 120.500 -0.092 0.000 2.721 313 R HA 0.430 -1.745 4.340 -10.858 0.000 0.296 313 R C 1.553 177.768 176.300 -0.142 0.000 1.174 313 R CA 0.408 56.444 56.100 -0.106 0.000 1.129 313 R CB 0.287 30.529 30.300 -0.097 0.000 1.316 313 R HN 0.385 nan 8.270 nan 0.000 0.571 314 G N -0.279 108.435 108.800 -0.144 0.000 2.599 314 G HA2 0.281 -2.274 3.960 -10.858 0.000 0.264 314 G HA3 0.281 -2.274 3.960 -10.858 0.000 0.264 314 G C -0.372 174.400 174.900 -0.213 0.000 1.200 314 G CA -0.407 44.584 45.100 -0.182 0.000 0.896 314 G HN 0.259 nan 8.290 nan 0.000 0.536 315 C N -0.972 118.147 119.300 -0.301 0.000 2.562 315 C HA 1.017 -1.039 4.460 -10.858 0.000 0.332 315 C C 0.816 175.498 174.990 -0.513 0.000 1.201 315 C CA 0.480 59.330 59.018 -0.279 0.000 1.803 315 C CB 0.644 28.348 27.740 -0.061 0.000 2.328 315 C HN 1.699 nan 8.230 nan 0.000 0.500 316 G N 2.633 111.324 108.800 -0.182 0.000 2.566 316 G HA2 -0.049 -2.604 3.960 -10.858 0.000 0.599 316 G HA3 -0.049 -2.604 3.960 -10.858 0.000 0.599 316 G C -2.483 172.388 174.900 -0.047 0.000 1.292 316 G CA -0.250 44.826 45.100 -0.041 0.000 0.922 316 G HN 0.400 nan 8.290 nan 0.000 0.514 317 P HA 0.114 nan 4.420 nan 0.000 0.219 317 P C 1.340 178.649 177.300 0.015 0.000 1.150 317 P CA 1.635 64.753 63.100 0.030 0.000 0.814 317 P CB 0.227 31.968 31.700 0.069 0.000 0.787 318 E N -0.227 119.982 120.200 0.016 0.000 2.340 318 E HA 0.040 -2.125 4.350 -10.858 0.000 0.194 318 E C 0.036 176.603 176.600 -0.054 0.000 0.996 318 E CA 0.178 56.591 56.400 0.022 0.000 0.869 318 E CB -0.382 29.388 29.700 0.117 0.000 0.835 318 E HN -0.111 nan 8.360 nan 0.000 0.493 319 K N 1.095 121.394 120.400 -0.169 0.000 3.393 319 K HA -0.162 -2.357 4.320 -10.858 0.000 0.272 319 K C -0.859 175.628 176.600 -0.189 0.000 1.004 319 K CA 0.793 56.945 56.287 -0.225 0.000 0.764 319 K CB -1.427 30.991 32.500 -0.136 0.000 1.373 319 K HN 0.387 nan 8.250 nan 0.000 0.458 320 D N -0.921 119.332 120.400 -0.245 0.000 2.538 320 D HA 0.006 -1.869 4.640 -10.858 0.000 0.241 320 D C 0.333 176.642 176.300 0.015 0.000 1.297 320 D CA 0.049 54.019 54.000 -0.049 0.000 0.804 320 D CB 0.171 41.039 40.800 0.114 0.000 1.122 320 D HN 0.587 nan 8.370 nan 0.000 0.519 321 H N -1.515 117.514 119.070 -0.069 0.000 2.949 321 H HA 0.729 -1.230 4.556 -10.859 0.000 0.356 321 H C -0.865 174.465 175.328 0.003 0.000 1.212 321 H CA -0.954 55.071 56.048 -0.038 0.000 1.136 321 H CB 1.447 31.121 29.762 -0.147 0.000 1.869 321 H HN -0.193 nan 8.280 nan 0.000 0.556 322 V N -0.132 119.902 119.914 0.201 0.000 3.204 322 V HA 0.349 -2.046 4.120 -10.858 0.000 0.316 322 V C -1.052 175.254 176.094 0.352 0.000 1.160 322 V CA -0.865 61.556 62.300 0.203 0.000 1.044 322 V CB 1.505 33.390 31.823 0.104 0.000 1.136 322 V HN 0.642 nan 8.190 nan 0.000 0.455 323 Y N 0.235 120.617 120.300 0.137 0.000 2.485 323 Y HA 0.676 -1.290 4.550 -10.859 0.000 0.345 323 Y C -0.316 175.680 175.900 0.160 0.000 0.998 323 Y CA -0.845 57.341 58.100 0.143 0.000 1.059 323 Y CB 1.907 40.438 38.460 0.118 0.000 1.234 323 Y HN 0.434 nan 8.280 nan 0.000 0.461 324 L N 3.217 124.557 121.223 0.195 0.000 2.305 324 L HA 0.460 -1.715 4.340 -10.858 0.000 0.284 324 L C -0.913 176.064 176.870 0.178 0.000 1.013 324 L CA -0.949 53.987 54.840 0.159 0.000 0.819 324 L CB 1.394 43.506 42.059 0.087 0.000 1.227 324 L HN 0.622 nan 8.230 nan 0.000 0.417 325 Q N 4.293 124.210 119.800 0.195 0.000 2.361 325 Q HA 0.320 -1.855 4.340 -10.858 0.000 0.250 325 Q C -0.522 175.584 176.000 0.177 0.000 1.023 325 Q CA 0.339 56.282 55.803 0.232 0.000 0.915 325 Q CB 0.902 29.803 28.738 0.271 0.000 1.238 325 Q HN 0.749 nan 8.270 nan 0.000 0.451 326 L N 2.984 124.283 121.223 0.126 0.000 3.069 326 L HA 0.216 -1.959 4.340 -10.858 0.000 0.271 326 L C 0.916 177.786 176.870 0.000 0.000 1.201 326 L CA -0.135 54.706 54.840 0.002 0.000 1.015 326 L CB 0.105 42.165 42.059 0.002 0.000 1.371 326 L HN 0.786 nan 8.230 nan 0.000 0.574 327 H N 0.256 119.345 119.070 0.033 0.000 2.333 327 H HA -0.145 -2.105 4.556 -10.859 0.000 0.302 327 H C 2.427 177.779 175.328 0.040 0.000 1.075 327 H CA 2.078 58.162 56.048 0.060 0.000 1.348 327 H CB 0.342 30.176 29.762 0.121 0.000 1.393 327 H HN 0.420 nan 8.280 nan 0.000 0.509 328 H N -0.574 118.632 119.070 0.227 0.000 2.502 328 H HA -0.011 -1.970 4.556 -10.859 0.000 0.283 328 H C 0.444 175.823 175.328 0.084 0.000 1.015 328 H CA 0.007 56.147 56.048 0.152 0.000 1.298 328 H CB -0.378 29.448 29.762 0.108 0.000 1.411 328 H HN 0.188 nan 8.280 nan 0.000 0.556 329 L N 3.101 124.069 121.223 -0.426 0.000 2.485 329 L HA 0.148 -2.027 4.340 -10.858 0.000 0.275 329 L C -1.925 174.889 176.870 -0.093 0.000 1.207 329 L CA -1.549 53.138 54.840 -0.254 0.000 0.855 329 L CB 0.199 42.103 42.059 -0.258 0.000 1.114 329 L HN 0.114 nan 8.230 nan 0.000 0.485 330 P HA 0.076 nan 4.420 nan 0.000 0.265 330 P C -1.826 175.453 177.300 -0.035 0.000 1.193 330 P CA -0.907 62.179 63.100 -0.022 0.000 0.765 330 P CB 0.068 31.765 31.700 -0.005 0.000 0.823 331 P HA -0.135 nan 4.420 nan 0.000 0.222 331 P C 0.822 178.104 177.300 -0.029 0.000 1.147 331 P CA 1.437 64.514 63.100 -0.038 0.000 0.790 331 P CB 0.220 31.898 31.700 -0.037 0.000 0.780 332 E N -0.067 120.119 120.200 -0.023 0.000 2.152 332 E HA -0.166 -2.332 4.350 -10.858 0.000 0.192 332 E C 2.310 178.895 176.600 -0.025 0.000 0.983 332 E CA 0.670 57.057 56.400 -0.022 0.000 0.818 332 E CB -0.244 29.446 29.700 -0.016 0.000 0.758 332 E HN 0.360 nan 8.360 nan 0.000 0.467 333 Q N 0.521 120.307 119.800 -0.023 0.000 2.123 333 Q HA -0.054 -2.229 4.340 -10.858 0.000 0.196 333 Q C 2.158 178.146 176.000 -0.021 0.000 0.958 333 Q CA 0.505 56.296 55.803 -0.020 0.000 0.841 333 Q CB 0.186 28.919 28.738 -0.009 0.000 0.915 333 Q HN 0.276 nan 8.270 nan 0.000 0.455 334 L N 0.222 121.430 121.223 -0.025 0.000 2.131 334 L HA -0.122 -2.298 4.340 -10.858 0.000 0.210 334 L C 2.437 179.295 176.870 -0.020 0.000 1.092 334 L CA 1.053 55.879 54.840 -0.023 0.000 0.759 334 L CB -0.407 41.631 42.059 -0.035 0.000 0.903 334 L HN 0.242 nan 8.230 nan 0.000 0.435 335 A N -0.838 121.967 122.820 -0.024 0.000 1.968 335 A HA -0.041 -2.236 4.320 -10.858 0.000 0.217 335 A C 2.189 179.757 177.584 -0.026 0.000 1.169 335 A CA 1.292 53.315 52.037 -0.024 0.000 0.638 335 A CB -0.302 18.683 19.000 -0.025 0.000 0.812 335 A HN 0.205 nan 8.150 nan 0.000 0.446 336 V N -0.834 119.061 119.914 -0.033 0.000 2.581 336 V HA -0.003 -2.398 4.120 -10.858 0.000 0.240 336 V C 2.388 178.455 176.094 -0.045 0.000 1.054 336 V CA 1.071 63.343 62.300 -0.047 0.000 1.076 336 V CB -0.564 31.218 31.823 -0.068 0.000 0.748 336 V HN 0.347 nan 8.190 nan 0.000 0.474 337 R N -0.068 120.413 120.500 -0.032 0.000 2.210 337 R HA 0.291 -1.884 4.340 -10.858 0.000 0.203 337 R C 0.618 176.941 176.300 0.039 0.000 1.010 337 R CA 0.604 56.706 56.100 0.002 0.000 1.008 337 R CB -0.021 30.297 30.300 0.030 0.000 0.923 337 R HN 0.375 nan 8.270 nan 0.000 0.469 338 L N 1.841 123.076 121.223 0.021 0.000 2.725 338 L HA 0.251 -1.924 4.340 -10.858 0.000 0.270 338 L C -1.812 175.065 176.870 0.010 0.000 1.422 338 L CA -0.976 53.880 54.840 0.027 0.000 0.770 338 L CB 2.067 44.144 42.059 0.029 0.000 1.081 338 L HN -0.125 nan 8.230 nan 0.000 0.527 339 P HA -0.018 nan 4.420 nan 0.000 0.224 339 P C 1.485 178.781 177.300 -0.006 0.000 1.157 339 P CA 0.799 63.895 63.100 -0.007 0.000 0.799 339 P CB 0.495 32.185 31.700 -0.016 0.000 0.809 340 G N 1.688 110.487 108.800 -0.002 0.000 2.402 340 G HA2 -0.210 -2.765 3.960 -10.858 0.000 0.216 340 G HA3 -0.210 -2.765 3.960 -10.858 0.000 0.216 340 G C 1.541 176.447 174.900 0.010 0.000 1.162 340 G CA 0.910 46.007 45.100 -0.005 0.000 0.777 340 G HN 0.417 nan 8.290 nan 0.000 0.539 341 I N -1.881 118.699 120.570 0.017 0.000 2.761 341 I HA 0.141 -2.204 4.170 -10.858 0.000 0.261 341 I C 2.436 178.567 176.117 0.022 0.000 1.198 341 I CA 1.046 62.360 61.300 0.022 0.000 1.482 341 I CB -0.036 37.978 38.000 0.023 0.000 1.100 341 I HN -0.070 nan 8.210 nan 0.000 0.445 342 S N 0.804 116.511 115.700 0.013 0.000 2.382 342 S HA -0.192 -2.237 4.470 -10.858 0.000 0.228 342 S C 1.960 176.567 174.600 0.011 0.000 1.027 342 S CA 1.824 60.028 58.200 0.007 0.000 0.991 342 S CB -0.263 62.935 63.200 -0.003 0.000 0.823 342 S HN 0.645 nan 8.310 nan 0.000 0.469 343 E N 0.322 120.530 120.200 0.013 0.000 2.102 343 E HA -0.091 -2.256 4.350 -10.858 0.000 0.190 343 E C 2.172 178.799 176.600 0.044 0.000 0.971 343 E CA 1.335 57.744 56.400 0.015 0.000 0.821 343 E CB -0.037 29.665 29.700 0.003 0.000 0.777 343 E HN 0.651 nan 8.360 nan 0.000 0.460 344 T N -1.277 113.322 114.554 0.075 0.000 2.867 344 T HA 0.037 -2.128 4.350 -10.858 0.000 0.268 344 T C 1.909 176.725 174.700 0.194 0.000 1.057 344 T CA 0.885 63.085 62.100 0.168 0.000 1.136 344 T CB -0.106 68.852 68.868 0.150 0.000 0.874 344 T HN 0.155 nan 8.240 nan 0.000 0.466 345 A N 0.844 123.726 122.820 0.103 0.000 2.014 345 A HA 0.293 -1.903 4.320 -10.858 0.000 0.218 345 A C 2.240 179.866 177.584 0.070 0.000 1.163 345 A CA 1.283 53.371 52.037 0.084 0.000 0.652 345 A CB -0.633 18.392 19.000 0.043 0.000 0.808 345 A HN 0.465 nan 8.150 nan 0.000 0.449 346 M N -0.493 119.136 119.600 0.048 0.000 2.288 346 M HA 0.138 -1.897 4.480 -10.858 0.000 0.266 346 M C 1.614 177.914 176.300 0.001 0.000 1.072 346 M CA 1.339 56.651 55.300 0.020 0.000 1.132 346 M CB -0.386 32.217 32.600 0.005 0.000 1.386 346 M HN 0.397 nan 8.290 nan 0.000 0.432 347 I N -1.515 119.052 120.570 -0.004 0.000 2.206 347 I HA -0.175 -2.520 4.170 -10.858 0.000 0.239 347 I C 1.610 177.617 176.117 -0.183 0.000 1.078 347 I CA 1.109 62.330 61.300 -0.131 0.000 1.367 347 I CB -0.373 37.495 38.000 -0.220 0.000 1.078 347 I HN 0.120 nan 8.210 nan 0.000 0.413 348 F N 0.636 120.582 119.950 -0.007 0.000 2.123 348 F HA 0.011 -1.977 4.527 -10.857 0.000 0.289 348 F C 2.554 178.351 175.800 -0.005 0.000 1.099 348 F CA 1.274 59.269 58.000 -0.007 0.000 1.234 348 F CB -0.678 38.314 39.000 -0.012 0.000 1.034 348 F HN -0.068 nan 8.300 nan 0.000 0.479 349 A N -0.262 122.673 122.820 0.191 0.000 2.016 349 A HA 0.289 -1.906 4.320 -10.858 0.000 0.217 349 A C 1.891 179.511 177.584 0.060 0.000 1.162 349 A CA 0.978 53.074 52.037 0.099 0.000 0.662 349 A CB -1.301 17.735 19.000 0.060 0.000 0.812 349 A HN 0.682 nan 8.150 nan 0.000 0.450 350 G N -1.232 107.597 108.800 0.047 0.000 2.246 350 G HA2 -0.119 -2.674 3.960 -10.858 0.000 0.273 350 G HA3 -0.119 -2.674 3.960 -10.858 0.000 0.273 350 G C -0.105 174.811 174.900 0.027 0.000 1.055 350 G CA 0.270 45.385 45.100 0.025 0.000 0.851 350 G HN 0.976 nan 8.290 nan 0.000 0.500 351 V N 0.199 120.130 119.914 0.028 0.000 2.540 351 V HA 0.463 -1.932 4.120 -10.858 0.000 0.302 351 V C 0.104 176.212 176.094 0.023 0.000 1.035 351 V CA -1.221 61.095 62.300 0.027 0.000 0.873 351 V CB 1.959 33.791 31.823 0.015 0.000 0.992 351 V HN 0.350 nan 8.190 nan 0.000 0.428 352 D N 2.518 122.932 120.400 0.024 0.000 2.390 352 D HA 0.097 -1.778 4.640 -10.858 0.000 0.249 352 D C 1.056 177.360 176.300 0.007 0.000 1.144 352 D CA 0.051 54.057 54.000 0.011 0.000 0.880 352 D CB 2.068 42.872 40.800 0.007 0.000 1.182 352 D HN 0.427 nan 8.370 nan 0.000 0.451 353 V N 1.702 121.612 119.914 -0.006 0.000 2.951 353 V HA -0.024 -2.419 4.120 -10.858 0.000 0.255 353 V C 1.821 177.893 176.094 -0.037 0.000 1.088 353 V CA 1.421 63.716 62.300 -0.009 0.000 1.109 353 V CB -0.295 31.523 31.823 -0.007 0.000 0.724 353 V HN 0.589 nan 8.190 nan 0.000 0.471 354 T N -1.250 113.264 114.554 -0.068 0.000 3.015 354 T HA 0.166 -1.999 4.350 -10.858 0.000 0.250 354 T C 1.494 176.030 174.700 -0.273 0.000 1.057 354 T CA 0.351 62.373 62.100 -0.130 0.000 1.066 354 T CB -0.030 68.778 68.868 -0.100 0.000 0.959 354 T HN 0.387 nan 8.240 nan 0.000 0.488 355 K N 0.858 121.134 120.400 -0.206 0.000 2.402 355 K HA 0.384 -1.811 4.320 -10.858 0.000 0.204 355 K C -0.084 176.513 176.600 -0.005 0.000 1.056 355 K CA 0.161 56.293 56.287 -0.259 0.000 1.069 355 K CB 1.354 33.804 32.500 -0.082 0.000 0.888 355 K HN 0.451 nan 8.250 nan 0.000 0.546 356 E N 0.766 121.013 120.200 0.078 0.000 2.356 356 E HA 0.316 -1.849 4.350 -10.858 0.000 0.275 356 E C -2.849 173.874 176.600 0.204 0.000 0.904 356 E CA -2.159 54.368 56.400 0.213 0.000 0.757 356 E CB 2.659 32.441 29.700 0.136 0.000 1.232 356 E HN -0.187 nan 8.360 nan 0.000 0.442 357 P HA 0.204 nan 4.420 nan 0.000 0.278 357 P C -0.718 176.617 177.300 0.059 0.000 1.238 357 P CA -0.427 62.812 63.100 0.232 0.000 0.794 357 P CB 0.582 32.535 31.700 0.422 0.000 0.955 358 I N 3.128 123.690 120.570 -0.013 0.000 2.342 358 I HA 0.278 -2.067 4.170 -10.858 0.000 0.291 358 I C -2.296 173.652 176.117 -0.281 0.000 1.010 358 I CA -3.224 58.008 61.300 -0.113 0.000 1.308 358 I CB 0.560 38.541 38.000 -0.031 0.000 1.400 358 I HN 0.089 nan 8.210 nan 0.000 0.488 359 P HA 0.174 nan 4.420 nan 0.000 0.271 359 P C -0.567 176.648 177.300 -0.142 0.000 1.220 359 P CA 0.022 62.866 63.100 -0.426 0.000 0.768 359 P CB 0.754 32.210 31.700 -0.407 0.000 0.848 360 V N 1.860 121.757 119.914 -0.029 0.000 2.962 360 V HA 0.831 -1.564 4.120 -10.858 0.000 0.313 360 V C -1.098 175.080 176.094 0.140 0.000 1.099 360 V CA -1.179 61.161 62.300 0.066 0.000 0.971 360 V CB 2.217 34.091 31.823 0.086 0.000 1.028 360 V HN 0.335 nan 8.190 nan 0.000 0.430 361 L N 3.143 124.454 121.223 0.147 0.000 2.526 361 L HA 0.781 -1.394 4.340 -10.858 0.000 0.263 361 L C -2.991 173.966 176.870 0.145 0.000 0.943 361 L CA -1.447 53.496 54.840 0.172 0.000 0.859 361 L CB 2.653 44.862 42.059 0.249 0.000 1.313 361 L HN 0.539 nan 8.230 nan 0.000 0.406 362 P HA 0.265 nan 4.420 nan 0.000 0.265 362 P C -1.166 176.257 177.300 0.204 0.000 1.222 362 P CA 0.156 63.342 63.100 0.143 0.000 0.767 362 P CB 0.379 32.118 31.700 0.065 0.000 0.801 363 T N -0.601 114.102 114.554 0.248 0.000 2.906 363 T HA 0.427 -1.738 4.350 -10.858 0.000 0.295 363 T C -0.153 174.650 174.700 0.171 0.000 1.075 363 T CA -0.944 61.296 62.100 0.233 0.000 1.005 363 T CB 0.564 69.495 68.868 0.105 0.000 1.136 363 T HN -0.053 nan 8.240 nan 0.000 0.498 364 V N 2.326 122.215 119.914 -0.041 0.000 2.694 364 V HA 0.151 -2.245 4.120 -10.858 0.000 0.306 364 V C 1.073 177.093 176.094 -0.124 0.000 1.054 364 V CA 0.829 62.905 62.300 -0.374 0.000 1.161 364 V CB 0.105 31.610 31.823 -0.531 0.000 0.916 364 V HN 1.185 nan 8.190 nan 0.000 0.490 365 H N 3.447 122.382 119.070 -0.224 0.000 1.955 365 H HA 0.311 -1.649 4.556 -10.860 0.000 0.196 365 H C -0.445 174.877 175.328 -0.010 0.000 0.891 365 H CA 0.084 56.099 56.048 -0.055 0.000 1.001 365 H CB 0.586 30.391 29.762 0.073 0.000 1.195 365 H HN 0.560 nan 8.280 nan 0.000 0.384 366 Y N 0.881 121.105 120.300 -0.127 0.000 2.512 366 Y HA 0.427 -1.540 4.550 -10.861 0.000 0.348 366 Y C -1.599 174.173 175.900 -0.213 0.000 0.990 366 Y CA -1.238 56.758 58.100 -0.174 0.000 1.033 366 Y CB 1.560 40.008 38.460 -0.020 0.000 1.259 366 Y HN 0.194 nan 8.280 nan 0.000 0.461 367 N N 5.868 124.090 118.700 -0.797 0.000 2.476 367 N HA 0.216 -1.560 4.740 -10.858 0.000 0.257 367 N C 0.463 175.695 175.510 -0.463 0.000 0.970 367 N CA -0.591 52.118 53.050 -0.568 0.000 0.938 367 N CB 1.134 39.170 38.487 -0.751 0.000 1.144 367 N HN 0.577 nan 8.380 nan 0.000 0.500 368 M N -0.137 119.468 119.600 0.010 0.000 2.159 368 M HA 0.027 -2.008 4.480 -10.858 0.000 0.263 368 M C 1.306 177.673 176.300 0.111 0.000 1.063 368 M CA 0.831 56.250 55.300 0.199 0.000 1.110 368 M CB -1.225 31.501 32.600 0.210 0.000 1.374 368 M HN 0.528 nan 8.290 nan 0.000 0.411 369 G N -0.828 108.038 108.800 0.111 0.000 2.516 369 G HA2 0.501 -2.054 3.960 -10.858 0.000 0.276 369 G HA3 0.501 -2.054 3.960 -10.858 0.000 0.276 369 G C 0.382 175.328 174.900 0.077 0.000 1.390 369 G CA 0.131 45.300 45.100 0.115 0.000 1.050 369 G HN 0.606 nan 8.290 nan 0.000 0.519 370 G N -1.548 107.288 108.800 0.059 0.000 2.286 370 G HA2 0.111 -2.444 3.960 -10.858 0.000 0.118 370 G HA3 0.111 -2.444 3.960 -10.858 0.000 0.118 370 G C -0.868 174.005 174.900 -0.045 0.000 1.267 370 G CA -0.360 44.753 45.100 0.022 0.000 1.171 370 G HN 0.849 nan 8.290 nan 0.000 0.465 371 I N 2.961 123.496 120.570 -0.059 0.000 2.325 371 I HA 0.370 -1.975 4.170 -10.858 0.000 0.291 371 I C -2.221 173.837 176.117 -0.098 0.000 1.019 371 I CA -1.863 59.387 61.300 -0.084 0.000 1.302 371 I CB 1.749 39.705 38.000 -0.073 0.000 1.401 371 I HN 0.066 nan 8.210 nan 0.000 0.485 372 P HA 0.028 nan 4.420 nan 0.000 0.262 372 P C -0.786 176.446 177.300 -0.114 0.000 1.182 372 P CA 0.365 63.387 63.100 -0.131 0.000 0.761 372 P CB 0.437 32.062 31.700 -0.125 0.000 0.795 373 T N 2.054 116.537 114.554 -0.119 0.000 2.933 373 T HA 0.284 -1.881 4.350 -10.858 0.000 0.305 373 T C -0.016 174.645 174.700 -0.065 0.000 1.092 373 T CA -0.723 61.320 62.100 -0.096 0.000 1.008 373 T CB 1.333 70.137 68.868 -0.108 0.000 1.102 373 T HN 0.208 nan 8.240 nan 0.000 0.469 374 N N -0.006 118.666 118.700 -0.047 0.000 2.255 374 N HA 0.177 -1.598 4.740 -10.858 0.000 0.253 374 N C 1.003 176.550 175.510 0.062 0.000 1.313 374 N CA -0.242 52.803 53.050 -0.009 0.000 0.912 374 N CB 0.320 38.749 38.487 -0.097 0.000 1.145 374 N HN 0.855 nan 8.380 nan 0.000 0.511 375 Y N -1.164 119.145 120.300 0.015 0.000 2.544 375 Y HA 0.244 -1.722 4.550 -10.860 0.000 0.286 375 Y C 1.246 177.056 175.900 -0.150 0.000 1.141 375 Y CA 0.668 58.790 58.100 0.037 0.000 1.299 375 Y CB 0.096 38.531 38.460 -0.042 0.000 1.030 375 Y HN 0.276 nan 8.280 nan 0.000 0.543 376 K N 0.136 120.144 120.400 -0.653 0.000 2.323 376 K HA 0.293 -1.903 4.320 -10.858 0.000 0.197 376 K C 1.252 177.787 176.600 -0.108 0.000 1.043 376 K CA 0.671 56.633 56.287 -0.543 0.000 0.997 376 K CB 0.269 32.424 32.500 -0.575 0.000 0.807 376 K HN 0.565 nan 8.250 nan 0.000 0.497 377 G N 1.353 110.166 108.800 0.020 0.000 2.192 377 G HA2 -0.212 -2.767 3.960 -10.858 0.000 0.193 377 G HA3 -0.212 -2.767 3.960 -10.858 0.000 0.193 377 G C -0.408 174.591 174.900 0.167 0.000 0.999 377 G CA -0.521 44.678 45.100 0.164 0.000 0.659 377 G HN 0.255 nan 8.290 nan 0.000 0.503 378 Q N 0.647 120.435 119.800 -0.021 0.000 2.304 378 Q HA 0.525 -1.651 4.340 -10.858 0.000 0.260 378 Q C 0.390 176.255 176.000 -0.225 0.000 0.965 378 Q CA -0.424 55.196 55.803 -0.306 0.000 0.898 378 Q CB 2.303 30.869 28.738 -0.288 0.000 1.196 378 Q HN 0.143 nan 8.270 nan 0.000 0.402 379 V N 4.526 124.272 119.914 -0.280 0.000 2.572 379 V HA 0.081 -2.314 4.120 -10.858 0.000 0.291 379 V C 0.064 176.074 176.094 -0.140 0.000 1.039 379 V CA 0.078 62.274 62.300 -0.173 0.000 1.055 379 V CB 0.284 32.012 31.823 -0.158 0.000 0.969 379 V HN 0.563 nan 8.190 nan 0.000 0.482 380 L N 6.609 127.775 121.223 -0.095 0.000 2.322 380 L HA 0.633 -1.542 4.340 -10.858 0.000 0.281 380 L C 0.436 177.291 176.870 -0.024 0.000 1.014 380 L CA -0.599 54.209 54.840 -0.054 0.000 0.815 380 L CB 1.488 43.528 42.059 -0.032 0.000 1.247 380 L HN 0.740 nan 8.230 nan 0.000 0.421 381 R N 0.252 120.757 120.500 0.008 0.000 2.606 381 R HA 0.558 -1.617 4.340 -10.858 0.000 0.249 381 R C -0.823 175.568 176.300 0.152 0.000 1.127 381 R CA -0.856 55.283 56.100 0.065 0.000 1.133 381 R CB 0.734 31.067 30.300 0.055 0.000 1.243 381 R HN 0.481 nan 8.270 nan 0.000 0.558 382 H N -0.214 118.903 119.070 0.079 0.000 3.036 382 H HA 0.390 -1.566 4.556 -10.853 0.000 0.295 382 H C -1.758 173.620 175.328 0.084 0.000 1.124 382 H CA -0.461 55.640 56.048 0.089 0.000 1.507 382 H CB 1.142 30.980 29.762 0.127 0.000 1.591 382 H HN 0.368 nan 8.280 nan 0.000 0.510 383 V N 5.477 125.289 119.914 -0.169 0.000 2.448 383 V HA 0.207 -2.188 4.120 -10.858 0.000 0.295 383 V C 0.709 176.673 176.094 -0.217 0.000 1.025 383 V CA -0.870 61.345 62.300 -0.142 0.000 0.859 383 V CB 1.417 33.197 31.823 -0.071 0.000 0.988 383 V HN 1.095 nan 8.190 nan 0.000 0.431 384 N N 3.822 122.419 118.700 -0.172 0.000 2.738 384 N HA -0.208 -1.983 4.740 -10.858 0.000 0.249 384 N C 0.992 176.386 175.510 -0.193 0.000 1.047 384 N CA 0.725 53.692 53.050 -0.138 0.000 0.707 384 N CB -0.575 37.857 38.487 -0.092 0.000 0.937 384 N HN 1.564 nan 8.380 nan 0.000 0.545 385 G N -0.290 108.320 108.800 -0.318 0.000 2.203 385 G HA2 -0.319 -2.874 3.960 -10.858 0.000 0.263 385 G HA3 -0.319 -2.874 3.960 -10.858 0.000 0.263 385 G C -0.184 174.546 174.900 -0.283 0.000 1.012 385 G CA 1.126 46.071 45.100 -0.259 0.000 0.749 385 G HN 0.677 nan 8.290 nan 0.000 0.512 386 Q N -0.636 118.901 119.800 -0.438 0.000 2.423 386 Q HA 0.460 -1.715 4.340 -10.858 0.000 0.278 386 Q C -1.351 174.582 176.000 -0.112 0.000 1.097 386 Q CA -1.122 54.578 55.803 -0.171 0.000 0.809 386 Q CB 1.523 30.194 28.738 -0.111 0.000 1.391 386 Q HN 0.180 nan 8.270 nan 0.000 0.428 387 D N 2.128 122.544 120.400 0.027 0.000 2.350 387 D HA 0.120 -1.755 4.640 -10.858 0.000 0.249 387 D C -0.776 175.531 176.300 0.011 0.000 1.119 387 D CA 0.419 54.459 54.000 0.065 0.000 0.886 387 D CB 0.785 41.631 40.800 0.075 0.000 1.195 387 D HN 0.226 nan 8.370 nan 0.000 0.437 388 Q N 1.285 121.090 119.800 0.009 0.000 2.305 388 Q HA 0.408 -1.768 4.340 -10.858 0.000 0.271 388 Q C -1.570 174.413 176.000 -0.029 0.000 1.046 388 Q CA -0.832 54.962 55.803 -0.016 0.000 0.798 388 Q CB 1.878 30.602 28.738 -0.023 0.000 1.286 388 Q HN 0.206 nan 8.270 nan 0.000 0.435 389 V N 3.737 123.622 119.914 -0.048 0.000 2.488 389 V HA 0.165 -2.230 4.120 -10.858 0.000 0.277 389 V C 0.001 176.040 176.094 -0.092 0.000 1.046 389 V CA -0.410 61.839 62.300 -0.085 0.000 0.986 389 V CB 1.217 32.981 31.823 -0.098 0.000 0.989 389 V HN 0.566 nan 8.190 nan 0.000 0.475 390 V N 8.470 128.314 119.914 -0.117 0.000 2.427 390 V HA 0.203 -2.192 4.120 -10.858 0.000 0.268 390 V C -2.056 173.949 176.094 -0.149 0.000 1.046 390 V CA -1.544 60.690 62.300 -0.110 0.000 0.970 390 V CB 0.853 32.616 31.823 -0.101 0.000 1.001 390 V HN 0.779 nan 8.190 nan 0.000 0.476 391 P HA 0.275 nan 4.420 nan 0.000 0.271 391 P C 0.906 178.157 177.300 -0.083 0.000 1.220 391 P CA 0.807 63.852 63.100 -0.091 0.000 0.768 391 P CB 0.799 32.471 31.700 -0.046 0.000 0.848 392 G N 1.512 110.267 108.800 -0.075 0.000 2.143 392 G HA2 -0.220 -2.775 3.960 -10.858 0.000 0.248 392 G HA3 -0.220 -2.775 3.960 -10.858 0.000 0.248 392 G C -0.438 174.454 174.900 -0.014 0.000 0.991 392 G CA -0.136 44.967 45.100 0.004 0.000 0.689 392 G HN 0.561 nan 8.290 nan 0.000 0.522 393 L N -0.103 121.010 121.223 -0.183 0.000 2.385 393 L HA 0.894 -1.281 4.340 -10.858 0.000 0.273 393 L C -0.868 175.768 176.870 -0.390 0.000 0.990 393 L CA -1.849 52.893 54.840 -0.162 0.000 0.821 393 L CB 1.423 43.401 42.059 -0.134 0.000 1.279 393 L HN 0.126 nan 8.230 nan 0.000 0.412 394 Y N 2.758 123.018 120.300 -0.067 0.000 2.581 394 Y HA 0.872 -1.092 4.550 -10.858 0.000 0.345 394 Y C -0.207 175.657 175.900 -0.060 0.000 1.036 394 Y CA -0.611 57.448 58.100 -0.068 0.000 1.042 394 Y CB 2.448 40.860 38.460 -0.079 0.000 1.289 394 Y HN 0.718 nan 8.280 nan 0.000 0.471 395 A N 0.994 123.882 122.820 0.113 0.000 2.488 395 A HA 0.839 -1.356 4.320 -10.858 0.000 0.298 395 A C -1.372 176.243 177.584 0.052 0.000 1.044 395 A CA -0.660 51.404 52.037 0.044 0.000 0.693 395 A CB 0.539 19.532 19.000 -0.012 0.000 1.272 395 A HN 1.145 nan 8.150 nan 0.000 0.402 396 C N 0.089 119.417 119.300 0.046 0.000 3.082 396 C HA 1.030 -1.025 4.460 -10.858 0.000 0.324 396 C C 0.643 175.673 174.990 0.066 0.000 1.210 396 C CA 0.055 59.116 59.018 0.072 0.000 1.366 396 C CB 0.907 28.727 27.740 0.134 0.000 1.756 396 C HN 3.011 nan 8.230 nan 0.000 0.485 397 G N 1.546 110.397 108.800 0.085 0.000 2.451 397 G HA2 -0.125 -2.680 3.960 -10.858 0.000 0.208 397 G HA3 -0.125 -2.680 3.960 -10.858 0.000 0.208 397 G C 0.405 175.364 174.900 0.098 0.000 1.248 397 G CA 0.633 45.803 45.100 0.117 0.000 0.989 397 G HN 1.186 nan 8.290 nan 0.000 0.559 398 E N 0.051 120.293 120.200 0.070 0.000 2.106 398 E HA 0.079 -2.086 4.350 -10.858 0.000 0.192 398 E C 2.795 179.325 176.600 -0.117 0.000 0.984 398 E CA 1.738 58.094 56.400 -0.072 0.000 0.806 398 E CB -0.337 29.265 29.700 -0.163 0.000 0.750 398 E HN 0.946 nan 8.360 nan 0.000 0.458 399 A N 0.956 123.746 122.820 -0.050 0.000 2.015 399 A HA 0.129 -2.066 4.320 -10.858 0.000 0.219 399 A C 1.263 178.832 177.584 -0.025 0.000 1.163 399 A CA 1.000 53.019 52.037 -0.029 0.000 0.646 399 A CB -0.324 18.665 19.000 -0.019 0.000 0.806 399 A HN 0.328 nan 8.150 nan 0.000 0.448 400 A N -1.711 121.093 122.820 -0.027 0.000 2.286 400 A HA 0.469 -1.727 4.320 -10.858 0.000 0.286 400 A C 0.006 177.559 177.584 -0.052 0.000 1.097 400 A CA 0.027 52.036 52.037 -0.047 0.000 0.821 400 A CB 0.430 19.395 19.000 -0.059 0.000 1.076 400 A HN 0.746 nan 8.150 nan 0.000 0.490 401 C N 2.352 121.604 119.300 -0.079 0.000 3.003 401 C HA 0.599 -1.456 4.460 -10.858 0.000 0.241 401 C C 1.320 176.217 174.990 -0.156 0.000 1.224 401 C CA -0.045 58.920 59.018 -0.087 0.000 1.560 401 C CB -1.069 26.630 27.740 -0.068 0.000 1.768 401 C HN 0.958 nan 8.230 nan 0.000 0.440 402 A N 1.953 124.646 122.820 -0.211 0.000 2.206 402 A HA 0.214 -1.981 4.320 -10.858 0.000 0.211 402 A C 1.413 178.883 177.584 -0.189 0.000 1.158 402 A CA 1.011 52.900 52.037 -0.245 0.000 0.761 402 A CB -0.348 18.369 19.000 -0.471 0.000 0.801 402 A HN 1.393 nan 8.150 nan 0.000 0.473 403 S N -1.861 113.747 115.700 -0.153 0.000 3.614 403 S HA -0.153 -2.198 4.470 -10.858 0.000 0.360 403 S C 0.813 175.356 174.600 -0.094 0.000 1.023 403 S CA 0.620 58.775 58.200 -0.075 0.000 1.114 403 S CB -1.893 61.296 63.200 -0.019 0.000 0.907 403 S HN 0.855 nan 8.310 nan 0.000 0.470 404 V N 0.589 120.369 119.914 -0.222 0.000 3.306 404 V HA -0.052 -2.447 4.120 -10.858 0.000 0.264 404 V C 1.706 177.563 176.094 -0.396 0.000 1.149 404 V CA 1.449 63.581 62.300 -0.279 0.000 1.143 404 V CB -0.174 31.472 31.823 -0.296 0.000 0.767 404 V HN 0.788 nan 8.190 nan 0.000 0.476 405 H N -0.828 118.214 119.070 -0.048 0.000 2.729 405 H HA 0.365 -1.596 4.556 -10.861 0.000 0.263 405 H C 1.650 176.925 175.328 -0.089 0.000 0.961 405 H CA 0.722 56.732 56.048 -0.063 0.000 1.217 405 H CB 0.506 30.259 29.762 -0.015 0.000 1.447 405 H HN 0.471 nan 8.280 nan 0.000 0.496 406 G N 1.362 110.164 108.800 0.003 0.000 2.565 406 G HA2 -0.422 -2.977 3.960 -10.858 0.000 0.295 406 G HA3 -0.422 -2.977 3.960 -10.858 0.000 0.295 406 G C 1.388 176.145 174.900 -0.237 0.000 1.165 406 G CA 1.543 46.586 45.100 -0.094 0.000 0.977 406 G HN 0.576 nan 8.290 nan 0.000 0.546 407 A N -0.079 122.570 122.820 -0.285 0.000 1.984 407 A HA 0.390 -1.805 4.320 -10.858 0.000 0.214 407 A C 1.116 178.697 177.584 -0.004 0.000 1.173 407 A CA 1.792 53.601 52.037 -0.380 0.000 0.673 407 A CB -0.049 18.848 19.000 -0.172 0.000 0.830 407 A HN 1.051 nan 8.150 nan 0.000 0.453 408 N N -0.072 118.632 118.700 0.006 0.000 2.500 408 N HA 0.167 -1.608 4.740 -10.858 0.000 0.291 408 N C -1.076 174.439 175.510 0.009 0.000 1.092 408 N CA -0.491 52.586 53.050 0.045 0.000 0.890 408 N CB 1.307 39.823 38.487 0.048 0.000 1.466 408 N HN 0.325 nan 8.380 nan 0.000 0.507 409 R N 3.660 124.156 120.500 -0.006 0.000 2.489 409 R HA 0.131 -2.044 4.340 -10.858 0.000 0.287 409 R C -0.427 175.827 176.300 -0.077 0.000 1.053 409 R CA -0.282 55.763 56.100 -0.091 0.000 1.036 409 R CB 0.531 30.531 30.300 -0.500 0.000 0.966 409 R HN 0.458 nan 8.270 nan 0.000 0.432 410 L N 3.684 124.899 121.223 -0.014 0.000 2.417 410 L HA 0.288 -1.887 4.340 -10.858 0.000 0.268 410 L C 0.468 177.356 176.870 0.031 0.000 1.158 410 L CA 0.580 55.419 54.840 -0.002 0.000 0.819 410 L CB 1.159 43.231 42.059 0.021 0.000 1.112 410 L HN 0.824 nan 8.230 nan 0.000 0.458 411 G N 3.642 112.506 108.800 0.107 0.000 2.305 411 G HA2 0.380 -2.175 3.960 -10.858 0.000 0.243 411 G HA3 0.380 -2.175 3.960 -10.858 0.000 0.243 411 G C 0.593 175.573 174.900 0.133 0.000 1.288 411 G CA 0.175 45.457 45.100 0.303 0.000 0.901 411 G HN 1.661 nan 8.290 nan 0.000 0.516 412 A N 2.056 124.859 122.820 -0.029 0.000 2.869 412 A HA -0.174 -2.369 4.320 -10.858 0.000 0.280 412 A C 1.423 178.963 177.584 -0.074 0.000 1.458 412 A CA 1.097 52.988 52.037 -0.244 0.000 0.776 412 A CB -1.722 16.818 19.000 -0.768 0.000 1.028 412 A HN 0.664 nan 8.150 nan 0.000 0.547 413 N N -0.981 117.727 118.700 0.013 0.000 2.250 413 N HA 0.126 -1.649 4.740 -10.858 0.000 0.190 413 N C 1.645 177.275 175.510 0.200 0.000 1.116 413 N CA 0.970 54.102 53.050 0.137 0.000 0.881 413 N CB 0.321 38.937 38.487 0.214 0.000 1.006 413 N HN 0.577 nan 8.380 nan 0.000 0.491 414 S N 0.325 116.052 115.700 0.044 0.000 2.387 414 S HA 0.141 -1.905 4.470 -10.858 0.000 0.226 414 S C 1.710 176.403 174.600 0.156 0.000 1.026 414 S CA 0.588 58.835 58.200 0.077 0.000 0.972 414 S CB -0.040 63.136 63.200 -0.039 0.000 0.814 414 S HN 0.214 nan 8.310 nan 0.000 0.477 415 L N 0.869 122.154 121.223 0.104 0.000 2.201 415 L HA -0.014 -2.189 4.340 -10.858 0.000 0.212 415 L C 2.329 179.274 176.870 0.125 0.000 1.105 415 L CA 0.503 55.405 54.840 0.104 0.000 0.775 415 L CB -0.425 41.675 42.059 0.069 0.000 0.913 415 L HN 0.342 nan 8.230 nan 0.000 0.440 416 L N 0.364 121.668 121.223 0.136 0.000 2.072 416 L HA -0.173 -2.348 4.340 -10.858 0.000 0.205 416 L C 2.049 179.048 176.870 0.215 0.000 1.079 416 L CA 1.815 56.742 54.840 0.144 0.000 0.752 416 L CB -0.492 41.657 42.059 0.150 0.000 0.906 416 L HN 0.184 nan 8.230 nan 0.000 0.436 417 D N -1.011 119.571 120.400 0.303 0.000 2.182 417 D HA -0.214 -2.089 4.640 -10.858 0.000 0.201 417 D C 2.014 178.556 176.300 0.403 0.000 0.986 417 D CA 1.174 55.441 54.000 0.446 0.000 0.847 417 D CB 0.057 41.140 40.800 0.472 0.000 0.942 417 D HN 0.244 nan 8.370 nan 0.000 0.467 418 L N -0.251 121.131 121.223 0.265 0.000 1.988 418 L HA -0.081 -2.256 4.340 -10.858 0.000 0.207 418 L C 2.620 179.595 176.870 0.176 0.000 1.071 418 L CA 1.045 56.007 54.840 0.203 0.000 0.744 418 L CB -0.863 41.289 42.059 0.155 0.000 0.893 418 L HN 0.033 nan 8.230 nan 0.000 0.433 419 V N -1.654 118.343 119.914 0.138 0.000 2.379 419 V HA -0.187 -2.582 4.120 -10.858 0.000 0.245 419 V C 2.368 178.483 176.094 0.034 0.000 1.044 419 V CA 1.174 63.524 62.300 0.083 0.000 1.036 419 V CB -0.329 31.529 31.823 0.059 0.000 0.664 419 V HN 0.212 nan 8.190 nan 0.000 0.453 420 V N -0.617 119.306 119.914 0.015 0.000 2.307 420 V HA -0.198 -2.594 4.120 -10.858 0.000 0.245 420 V C 2.137 178.155 176.094 -0.127 0.000 1.045 420 V CA 2.160 64.376 62.300 -0.140 0.000 1.024 420 V CB -0.677 30.973 31.823 -0.288 0.000 0.651 420 V HN 0.475 nan 8.190 nan 0.000 0.449 421 F N 0.850 120.872 119.950 0.120 0.000 2.615 421 F HA 0.170 -1.817 4.527 -10.856 0.000 0.297 421 F C 2.277 178.106 175.800 0.048 0.000 1.124 421 F CA 0.919 58.990 58.000 0.117 0.000 1.451 421 F CB -0.756 38.309 39.000 0.109 0.000 1.103 421 F HN 0.185 nan 8.300 nan 0.000 0.569 422 G N -0.073 108.832 108.800 0.174 0.000 2.403 422 G HA2 -0.214 -2.769 3.960 -10.858 0.000 0.216 422 G HA3 -0.214 -2.769 3.960 -10.858 0.000 0.216 422 G C 1.759 176.640 174.900 -0.032 0.000 1.154 422 G CA 0.361 45.497 45.100 0.059 0.000 0.784 422 G HN 0.230 nan 8.290 nan 0.000 0.538 423 R N 0.429 120.907 120.500 -0.036 0.000 2.092 423 R HA 0.089 -2.086 4.340 -10.858 0.000 0.231 423 R C 2.798 179.059 176.300 -0.065 0.000 1.119 423 R CA 1.296 57.344 56.100 -0.085 0.000 0.970 423 R CB -0.281 29.971 30.300 -0.081 0.000 0.864 423 R HN 0.279 nan 8.270 nan 0.000 0.440 424 A N 0.210 123.032 122.820 0.002 0.000 1.930 424 A HA -0.151 -2.346 4.320 -10.858 0.000 0.217 424 A C 2.395 179.927 177.584 -0.085 0.000 1.175 424 A CA 1.395 53.437 52.037 0.008 0.000 0.627 424 A CB -0.844 18.190 19.000 0.057 0.000 0.815 424 A HN 0.555 nan 8.150 nan 0.000 0.443 425 C N -1.048 118.201 119.300 -0.084 0.000 2.425 425 C HA 0.043 -2.012 4.460 -10.858 0.000 0.277 425 C C 3.295 178.030 174.990 -0.424 0.000 1.280 425 C CA 0.842 59.716 59.018 -0.240 0.000 1.744 425 C CB -1.256 26.395 27.740 -0.148 0.000 1.989 425 C HN 0.696 nan 8.230 nan 0.000 0.491 426 A N 0.009 122.647 122.820 -0.304 0.000 1.872 426 A HA -0.042 -2.238 4.320 -10.858 0.000 0.214 426 A C 2.050 179.454 177.584 -0.301 0.000 1.187 426 A CA 1.268 53.102 52.037 -0.338 0.000 0.614 426 A CB -0.551 18.279 19.000 -0.283 0.000 0.826 426 A HN 0.581 nan 8.150 nan 0.000 0.442 427 L N -0.301 120.801 121.223 -0.201 0.000 2.217 427 L HA -0.099 -2.274 4.340 -10.858 0.000 0.211 427 L C 2.657 179.443 176.870 -0.141 0.000 1.107 427 L CA 1.059 55.820 54.840 -0.131 0.000 0.783 427 L CB -0.185 41.834 42.059 -0.066 0.000 0.919 427 L HN 0.298 nan 8.230 nan 0.000 0.442 428 S N -0.073 115.507 115.700 -0.200 0.000 2.387 428 S HA -0.031 -2.076 4.470 -10.858 0.000 0.226 428 S C 1.880 176.372 174.600 -0.179 0.000 1.026 428 S CA 1.018 59.123 58.200 -0.157 0.000 0.972 428 S CB -0.089 63.058 63.200 -0.089 0.000 0.814 428 S HN 0.330 nan 8.310 nan 0.000 0.477 429 I N 1.206 121.549 120.570 -0.377 0.000 2.716 429 I HA -0.019 -2.364 4.170 -10.858 0.000 0.259 429 I C 2.470 178.426 176.117 -0.269 0.000 1.172 429 I CA 0.666 61.728 61.300 -0.396 0.000 1.478 429 I CB -0.313 37.273 38.000 -0.690 0.000 1.104 429 I HN 0.228 nan 8.210 nan 0.000 0.439 430 A N 0.817 123.522 122.820 -0.191 0.000 1.855 430 A HA -0.123 -2.319 4.320 -10.858 0.000 0.213 430 A C 2.225 179.875 177.584 0.111 0.000 1.195 430 A CA 1.249 53.342 52.037 0.093 0.000 0.610 430 A CB -0.398 18.638 19.000 0.059 0.000 0.837 430 A HN 0.351 nan 8.150 nan 0.000 0.444 431 E N 0.341 120.558 120.200 0.028 0.000 2.158 431 E HA -0.014 -2.179 4.350 -10.858 0.000 0.191 431 E C 0.562 177.183 176.600 0.035 0.000 0.982 431 E CA 0.743 57.161 56.400 0.029 0.000 0.823 431 E CB -0.014 29.690 29.700 0.007 0.000 0.766 431 E HN 0.625 nan 8.360 nan 0.000 0.468 432 S N 0.032 115.749 115.700 0.029 0.000 2.501 432 S HA 0.396 -1.649 4.470 -10.858 0.000 0.301 432 S C -0.120 174.522 174.600 0.069 0.000 1.096 432 S CA -0.887 57.337 58.200 0.041 0.000 1.063 432 S CB 1.750 64.967 63.200 0.029 0.000 1.042 432 S HN 0.399 nan 8.310 nan 0.000 0.494 433 C N 3.354 122.703 119.300 0.082 0.000 1.217 433 C HA -0.106 -2.161 4.460 -10.858 0.000 0.190 433 C C 0.017 175.129 174.990 0.204 0.000 0.580 433 C CA -0.352 58.736 59.018 0.116 0.000 3.041 433 C CB -1.671 26.134 27.740 0.109 0.000 2.244 433 C HN 1.043 nan 8.230 nan 0.000 0.545 434 R N 6.887 127.471 120.500 0.140 0.000 2.560 434 R HA 0.599 -1.576 4.340 -10.858 0.000 0.270 434 R C -1.954 174.365 176.300 0.031 0.000 1.074 434 R CA -1.435 54.714 56.100 0.082 0.000 1.140 434 R CB 0.550 30.849 30.300 -0.001 0.000 1.073 434 R HN 0.725 nan 8.270 nan 0.000 0.527 435 P HA 0.079 nan 4.420 nan 0.000 0.275 435 P C 0.438 177.649 177.300 -0.149 0.000 1.227 435 P CA 0.234 63.107 63.100 -0.379 0.000 0.781 435 P CB 0.753 31.919 31.700 -0.889 0.000 0.906 436 G N 1.862 110.634 108.800 -0.048 0.000 2.175 436 G HA2 -0.186 -2.741 3.960 -10.858 0.000 0.244 436 G HA3 -0.186 -2.741 3.960 -10.858 0.000 0.244 436 G C -0.133 174.767 174.900 0.000 0.000 0.982 436 G CA -0.179 44.904 45.100 -0.028 0.000 0.641 436 G HN 0.518 nan 8.290 nan 0.000 0.527 437 D N 0.747 121.161 120.400 0.023 0.000 2.399 437 D HA 0.364 -1.512 4.640 -10.858 0.000 0.241 437 D C 0.847 177.170 176.300 0.038 0.000 1.133 437 D CA 0.020 54.040 54.000 0.034 0.000 0.890 437 D CB 0.588 41.420 40.800 0.055 0.000 1.201 437 D HN 0.326 nan 8.370 nan 0.000 0.432 438 K N 1.430 121.847 120.400 0.029 0.000 2.440 438 K HA -0.035 -2.230 4.320 -10.858 0.000 0.275 438 K C -0.886 175.736 176.600 0.037 0.000 1.082 438 K CA -0.121 56.181 56.287 0.026 0.000 1.135 438 K CB 0.148 32.660 32.500 0.020 0.000 0.864 438 K HN 0.177 nan 8.250 nan 0.000 0.479 439 V N 8.682 128.619 119.914 0.038 0.000 2.446 439 V HA 0.070 -2.325 4.120 -10.858 0.000 0.276 439 V C -1.656 174.460 176.094 0.037 0.000 1.030 439 V CA -1.332 60.997 62.300 0.047 0.000 1.033 439 V CB 0.340 32.194 31.823 0.051 0.000 0.993 439 V HN 0.831 nan 8.190 nan 0.000 0.477 440 P HA 0.069 nan 4.420 nan 0.000 0.264 440 P C 0.009 177.324 177.300 0.025 0.000 1.193 440 P CA 0.032 63.149 63.100 0.028 0.000 0.763 440 P CB 0.511 32.227 31.700 0.027 0.000 0.810 441 S N 3.443 119.155 115.700 0.019 0.000 2.516 441 S HA 0.220 -1.825 4.470 -10.858 0.000 0.282 441 S C 0.283 174.892 174.600 0.016 0.000 1.286 441 S CA -0.703 57.507 58.200 0.017 0.000 1.066 441 S CB 0.011 63.218 63.200 0.012 0.000 0.884 441 S HN 0.413 nan 8.310 nan 0.000 0.491 442 I N 2.156 122.737 120.570 0.018 0.000 2.612 442 I HA 0.309 -2.036 4.170 -10.858 0.000 0.295 442 I C 0.223 176.347 176.117 0.011 0.000 1.011 442 I CA -0.695 60.614 61.300 0.015 0.000 1.326 442 I CB 0.855 38.868 38.000 0.021 0.000 1.427 442 I HN 0.697 nan 8.210 nan 0.000 0.537 443 K N 6.997 127.402 120.400 0.008 0.000 2.436 443 K HA 0.112 -2.083 4.320 -10.858 0.000 0.275 443 K C -1.838 174.766 176.600 0.007 0.000 0.999 443 K CA -0.859 55.431 56.287 0.006 0.000 0.980 443 K CB -0.189 32.313 32.500 0.004 0.000 0.919 443 K HN 0.414 nan 8.250 nan 0.000 0.484 444 P HA -0.118 nan 4.420 nan 0.000 0.228 444 P C -0.009 177.294 177.300 0.006 0.000 1.151 444 P CA 1.125 64.229 63.100 0.006 0.000 0.770 444 P CB 0.252 31.954 31.700 0.004 0.000 0.786 445 N N -0.944 117.759 118.700 0.005 0.000 2.407 445 N HA 0.097 -1.679 4.740 -10.858 0.000 0.182 445 N C 0.682 176.193 175.510 0.003 0.000 1.079 445 N CA -0.004 53.048 53.050 0.004 0.000 0.882 445 N CB -0.008 38.481 38.487 0.003 0.000 1.106 445 N HN -0.008 nan 8.380 nan 0.000 0.461 446 A N 0.853 123.674 122.820 0.003 0.000 2.598 446 A HA 0.310 -1.885 4.320 -10.858 0.000 0.239 446 A C 1.379 178.962 177.584 -0.001 0.000 1.032 446 A CA 1.326 53.363 52.037 0.001 0.000 0.760 446 A CB -0.447 18.555 19.000 0.003 0.000 0.946 446 A HN 0.542 nan 8.150 nan 0.000 0.512 447 G N 1.626 110.423 108.800 -0.006 0.000 2.184 447 G HA2 -0.200 -2.755 3.960 -10.858 0.000 0.206 447 G HA3 -0.200 -2.755 3.960 -10.858 0.000 0.206 447 G C 0.575 175.463 174.900 -0.021 0.000 0.995 447 G CA 0.653 45.746 45.100 -0.012 0.000 0.651 447 G HN 0.775 nan 8.290 nan 0.000 0.511 448 E N -0.060 120.131 120.200 -0.015 0.000 2.085 448 E HA -0.122 -2.287 4.350 -10.858 0.000 0.194 448 E C 2.051 178.636 176.600 -0.024 0.000 0.994 448 E CA 1.467 57.858 56.400 -0.016 0.000 0.801 448 E CB -0.043 29.653 29.700 -0.007 0.000 0.743 448 E HN 0.501 nan 8.360 nan 0.000 0.453 449 E N 0.126 120.313 120.200 -0.020 0.000 2.152 449 E HA -0.079 -2.244 4.350 -10.858 0.000 0.192 449 E C 1.866 178.447 176.600 -0.032 0.000 0.983 449 E CA 0.978 57.365 56.400 -0.021 0.000 0.818 449 E CB 0.084 29.775 29.700 -0.013 0.000 0.758 449 E HN 0.015 nan 8.360 nan 0.000 0.467 450 S N -0.879 114.799 115.700 -0.036 0.000 2.406 450 S HA -0.081 -2.126 4.470 -10.858 0.000 0.228 450 S C 1.941 176.487 174.600 -0.091 0.000 1.020 450 S CA 0.964 59.137 58.200 -0.046 0.000 0.965 450 S CB -0.033 63.147 63.200 -0.033 0.000 0.798 450 S HN 0.127 nan 8.310 nan 0.000 0.488 451 V N 1.897 121.743 119.914 -0.113 0.000 2.379 451 V HA -0.056 -2.451 4.120 -10.858 0.000 0.245 451 V C 2.176 178.158 176.094 -0.187 0.000 1.044 451 V CA 1.421 63.594 62.300 -0.213 0.000 1.036 451 V CB -0.577 31.143 31.823 -0.172 0.000 0.664 451 V HN 0.460 nan 8.190 nan 0.000 0.453 452 M N 0.069 119.618 119.600 -0.086 0.000 2.296 452 M HA -0.138 -2.173 4.480 -10.858 0.000 0.265 452 M C 2.180 178.456 176.300 -0.039 0.000 1.064 452 M CA 1.397 56.674 55.300 -0.039 0.000 1.109 452 M CB -0.552 32.038 32.600 -0.017 0.000 1.396 452 M HN 0.453 nan 8.290 nan 0.000 0.430 453 N N 0.785 119.452 118.700 -0.055 0.000 2.216 453 N HA -0.136 -1.911 4.740 -10.858 0.000 0.183 453 N C 1.767 177.238 175.510 -0.065 0.000 1.017 453 N CA 0.774 53.795 53.050 -0.049 0.000 0.861 453 N CB 0.199 38.662 38.487 -0.039 0.000 0.986 453 N HN 0.277 nan 8.380 nan 0.000 0.428 454 L N 1.564 122.721 121.223 -0.110 0.000 2.056 454 L HA -0.145 -2.321 4.340 -10.858 0.000 0.207 454 L C 1.708 178.524 176.870 -0.089 0.000 1.078 454 L CA 1.863 56.615 54.840 -0.145 0.000 0.749 454 L CB -1.172 40.725 42.059 -0.270 0.000 0.901 454 L HN 0.140 nan 8.230 nan 0.000 0.433 455 D N -0.434 119.939 120.400 -0.045 0.000 2.183 455 D HA -0.210 -2.085 4.640 -10.858 0.000 0.203 455 D C 2.132 178.540 176.300 0.180 0.000 0.969 455 D CA 0.885 54.990 54.000 0.175 0.000 0.842 455 D CB 0.280 41.233 40.800 0.254 0.000 0.957 455 D HN 0.063 nan 8.370 nan 0.000 0.484 456 K N -0.479 119.963 120.400 0.071 0.000 2.057 456 K HA -0.007 -2.203 4.320 -10.858 0.000 0.206 456 K C 1.733 178.346 176.600 0.020 0.000 1.050 456 K CA 0.829 57.146 56.287 0.049 0.000 0.935 456 K CB -0.231 32.268 32.500 -0.001 0.000 0.715 456 K HN 0.093 nan 8.250 nan 0.000 0.439 457 L N 0.666 121.875 121.223 -0.023 0.000 2.395 457 L HA 0.104 -2.071 4.340 -10.858 0.000 0.218 457 L C 2.306 179.121 176.870 -0.090 0.000 1.130 457 L CA 0.928 55.733 54.840 -0.059 0.000 0.826 457 L CB -0.347 41.664 42.059 -0.079 0.000 0.941 457 L HN 0.127 nan 8.230 nan 0.000 0.451 458 R N -0.182 120.253 120.500 -0.109 0.000 2.057 458 R HA -0.030 -2.206 4.340 -10.858 0.000 0.229 458 R C 0.674 176.734 176.300 -0.399 0.000 1.136 458 R CA 1.272 57.201 56.100 -0.286 0.000 0.952 458 R CB -0.220 29.859 30.300 -0.368 0.000 0.848 458 R HN 0.277 nan 8.270 nan 0.000 0.430 459 F N 1.126 121.068 119.950 -0.014 0.000 2.987 459 F HA 0.381 -1.607 4.527 -10.859 0.000 0.302 459 F C 0.342 176.105 175.800 -0.063 0.000 1.221 459 F CA -0.547 57.433 58.000 -0.034 0.000 1.307 459 F CB 0.365 39.353 39.000 -0.020 0.000 1.108 459 F HN -0.039 nan 8.300 nan 0.000 0.521 460 A N 0.742 123.567 122.820 0.009 0.000 2.404 460 A HA 0.310 -1.885 4.320 -10.858 0.000 0.273 460 A C 0.233 177.763 177.584 -0.089 0.000 1.144 460 A CA -0.301 51.712 52.037 -0.041 0.000 0.806 460 A CB -0.126 18.829 19.000 -0.074 0.000 1.080 460 A HN 0.613 nan 8.150 nan 0.000 0.509 461 N N 2.005 120.662 118.700 -0.071 0.000 2.735 461 N HA 0.365 -1.410 4.740 -10.858 0.000 0.312 461 N C 0.539 176.001 175.510 -0.080 0.000 1.843 461 N CA -0.022 52.971 53.050 -0.095 0.000 0.945 461 N CB 1.104 39.556 38.487 -0.058 0.000 1.299 461 N HN 0.795 nan 8.380 nan 0.000 0.489 462 G N -1.186 107.564 108.800 -0.083 0.000 2.525 462 G HA2 0.058 -2.497 3.960 -10.858 0.000 0.287 462 G HA3 0.058 -2.497 3.960 -10.858 0.000 0.287 462 G C 0.751 175.645 174.900 -0.009 0.000 1.350 462 G CA -0.160 44.919 45.100 -0.035 0.000 1.039 462 G HN 0.169 nan 8.290 nan 0.000 0.513 463 T N -1.274 113.308 114.554 0.047 0.000 3.037 463 T HA 0.238 -1.927 4.350 -10.858 0.000 0.252 463 T C 0.844 175.571 174.700 0.044 0.000 1.073 463 T CA 0.003 62.131 62.100 0.047 0.000 1.091 463 T CB -0.325 68.582 68.868 0.064 0.000 0.935 463 T HN 0.261 nan 8.240 nan 0.000 0.488 464 I N 2.197 122.798 120.570 0.050 0.000 2.412 464 I HA 0.464 -1.881 4.170 -10.858 0.000 0.296 464 I C 0.323 176.471 176.117 0.052 0.000 0.987 464 I CA -1.085 60.244 61.300 0.048 0.000 1.180 464 I CB 1.556 39.580 38.000 0.040 0.000 1.340 464 I HN -0.037 nan 8.210 nan 0.000 0.455 465 R N 3.031 123.578 120.500 0.079 0.000 2.641 465 R HA 0.165 -2.010 4.340 -10.858 0.000 0.269 465 R C 0.810 177.156 176.300 0.077 0.000 1.074 465 R CA -0.057 56.111 56.100 0.113 0.000 1.133 465 R CB 0.944 31.340 30.300 0.160 0.000 1.029 465 R HN 0.756 nan 8.270 nan 0.000 0.488 466 T N 0.877 115.477 114.554 0.078 0.000 2.665 466 T HA -0.216 -2.381 4.350 -10.858 0.000 0.268 466 T C 1.746 176.476 174.700 0.051 0.000 1.035 466 T CA 2.176 64.305 62.100 0.049 0.000 1.151 466 T CB -0.215 68.677 68.868 0.040 0.000 0.862 466 T HN 0.802 nan 8.240 nan 0.000 0.438 467 S N 1.535 117.271 115.700 0.061 0.000 2.406 467 S HA -0.033 -2.078 4.470 -10.858 0.000 0.228 467 S C 1.840 176.478 174.600 0.062 0.000 1.020 467 S CA 0.747 58.983 58.200 0.060 0.000 0.965 467 S CB -0.370 62.863 63.200 0.056 0.000 0.798 467 S HN 0.573 nan 8.310 nan 0.000 0.488 468 E N 0.566 120.802 120.200 0.060 0.000 2.204 468 E HA 0.009 -2.156 4.350 -10.858 0.000 0.194 468 E C 1.823 178.449 176.600 0.044 0.000 0.989 468 E CA 0.788 57.219 56.400 0.052 0.000 0.824 468 E CB -0.188 29.543 29.700 0.052 0.000 0.756 468 E HN 0.417 nan 8.360 nan 0.000 0.477 469 L N 0.717 121.965 121.223 0.043 0.000 2.209 469 L HA 0.006 -2.169 4.340 -10.858 0.000 0.207 469 L C 2.187 179.081 176.870 0.042 0.000 1.094 469 L CA 1.325 56.186 54.840 0.035 0.000 0.790 469 L CB -0.086 41.990 42.059 0.028 0.000 0.932 469 L HN -0.129 nan 8.230 nan 0.000 0.447 470 R N -0.833 119.698 120.500 0.052 0.000 2.092 470 R HA -0.140 -2.315 4.340 -10.858 0.000 0.231 470 R C 2.205 178.556 176.300 0.085 0.000 1.119 470 R CA 1.562 57.702 56.100 0.066 0.000 0.970 470 R CB -0.326 30.018 30.300 0.073 0.000 0.864 470 R HN 0.378 nan 8.270 nan 0.000 0.440 471 L N 0.562 121.836 121.223 0.086 0.000 2.083 471 L HA -0.097 -2.272 4.340 -10.858 0.000 0.209 471 L C 1.964 178.869 176.870 0.058 0.000 1.083 471 L CA 1.747 56.643 54.840 0.094 0.000 0.752 471 L CB -0.260 41.844 42.059 0.075 0.000 0.899 471 L HN 0.039 nan 8.230 nan 0.000 0.433 472 S N -0.863 114.862 115.700 0.041 0.000 2.402 472 S HA -0.176 -2.221 4.470 -10.858 0.000 0.229 472 S C 1.880 176.497 174.600 0.028 0.000 1.021 472 S CA 1.606 59.822 58.200 0.025 0.000 0.974 472 S CB -0.319 62.892 63.200 0.018 0.000 0.800 472 S HN 0.550 nan 8.310 nan 0.000 0.484 473 M N 1.246 120.868 119.600 0.037 0.000 2.123 473 M HA -0.121 -2.156 4.480 -10.858 0.000 0.263 473 M C 2.125 178.442 176.300 0.029 0.000 1.069 473 M CA 1.442 56.758 55.300 0.026 0.000 1.133 473 M CB -0.236 32.383 32.600 0.030 0.000 1.356 473 M HN 0.247 nan 8.290 nan 0.000 0.415 474 Q N 0.064 119.912 119.800 0.080 0.000 2.079 474 Q HA -0.161 -2.336 4.340 -10.858 0.000 0.200 474 Q C 1.960 178.064 176.000 0.173 0.000 0.974 474 Q CA 1.401 57.293 55.803 0.148 0.000 0.840 474 Q CB -0.035 28.864 28.738 0.268 0.000 0.898 474 Q HN 0.528 nan 8.270 nan 0.000 0.430 475 K N -0.061 120.394 120.400 0.091 0.000 2.155 475 K HA 0.003 -2.192 4.320 -10.858 0.000 0.203 475 K C 2.208 178.866 176.600 0.098 0.000 1.052 475 K CA 0.840 57.140 56.287 0.021 0.000 0.948 475 K CB 0.124 32.565 32.500 -0.098 0.000 0.728 475 K HN 0.020 nan 8.250 nan 0.000 0.448 476 S N 0.947 116.707 115.700 0.101 0.000 2.368 476 S HA -0.036 -2.081 4.470 -10.858 0.000 0.224 476 S C 1.893 176.619 174.600 0.210 0.000 1.029 476 S CA 0.972 59.270 58.200 0.164 0.000 0.988 476 S CB 0.002 63.208 63.200 0.010 0.000 0.838 476 S HN 0.206 nan 8.310 nan 0.000 0.462 477 M N 0.933 120.575 119.600 0.070 0.000 2.175 477 M HA -0.004 -2.039 4.480 -10.858 0.000 0.264 477 M C 2.270 178.733 176.300 0.271 0.000 1.063 477 M CA 1.238 56.527 55.300 -0.019 0.000 1.119 477 M CB -1.222 31.062 32.600 -0.525 0.000 1.377 477 M HN 0.244 nan 8.290 nan 0.000 0.415 478 Q N 0.630 120.636 119.800 0.343 0.000 2.119 478 Q HA -0.098 -2.273 4.340 -10.858 0.000 0.201 478 Q C 2.078 178.240 176.000 0.270 0.000 0.972 478 Q CA 2.296 58.361 55.803 0.436 0.000 0.847 478 Q CB -0.024 28.935 28.738 0.369 0.000 0.903 478 Q HN 0.597 nan 8.270 nan 0.000 0.433 479 S N -2.108 113.699 115.700 0.178 0.000 2.441 479 S HA -0.007 -2.052 4.470 -10.858 0.000 0.224 479 S C 1.341 175.898 174.600 -0.071 0.000 1.043 479 S CA 0.578 58.787 58.200 0.014 0.000 0.948 479 S CB -0.355 62.786 63.200 -0.098 0.000 0.810 479 S HN 0.495 nan 8.310 nan 0.000 0.504 480 H N 1.543 120.667 119.070 0.091 0.000 2.562 480 H HA 0.601 -1.359 4.556 -10.861 0.000 0.267 480 H C 0.875 176.263 175.328 0.101 0.000 0.959 480 H CA 0.690 56.780 56.048 0.070 0.000 1.204 480 H CB 0.301 30.086 29.762 0.039 0.000 1.430 480 H HN 0.560 nan 8.280 nan 0.000 0.545 481 A N 0.419 123.406 122.820 0.279 0.000 3.308 481 A HA 0.718 -1.477 4.320 -10.858 0.000 0.275 481 A C 0.491 178.313 177.584 0.398 0.000 0.950 481 A CA -0.023 52.199 52.037 0.308 0.000 0.987 481 A CB -0.444 18.758 19.000 0.338 0.000 1.146 481 A HN 0.336 nan 8.150 nan 0.000 0.488 482 A N -0.179 122.772 122.820 0.219 0.000 2.710 482 A HA 0.615 -1.580 4.320 -10.858 0.000 0.253 482 A C 1.490 178.952 177.584 -0.204 0.000 1.658 482 A CA 0.525 52.607 52.037 0.075 0.000 0.851 482 A CB -0.517 18.477 19.000 -0.010 0.000 1.658 482 A HN 0.720 nan 8.150 nan 0.000 0.585 483 V N -1.408 118.098 119.914 -0.680 0.000 2.270 483 V HA -0.096 -2.491 4.120 -10.858 0.000 0.245 483 V C 0.611 176.411 176.094 -0.490 0.000 1.043 483 V CA 1.354 63.168 62.300 -0.810 0.000 1.014 483 V CB -0.936 30.406 31.823 -0.802 0.000 0.645 483 V HN 0.474 nan 8.190 nan 0.000 0.447 484 F N 1.495 121.316 119.950 -0.215 0.000 2.410 484 F HA 0.565 -1.423 4.527 -10.859 0.000 0.349 484 F C 0.631 176.367 175.800 -0.107 0.000 1.117 484 F CA -0.696 57.220 58.000 -0.140 0.000 1.104 484 F CB 0.805 39.735 39.000 -0.117 0.000 1.122 484 F HN 0.110 nan 8.300 nan 0.000 0.483 485 R N 2.579 123.106 120.500 0.045 0.000 2.532 485 R HA 0.782 -1.393 4.340 -10.858 0.000 0.297 485 R C -1.884 174.426 176.300 0.016 0.000 0.984 485 R CA -0.920 55.192 56.100 0.021 0.000 0.884 485 R CB 1.300 31.598 30.300 -0.003 0.000 1.182 485 R HN 0.344 nan 8.270 nan 0.000 0.442 486 V N 2.052 121.982 119.914 0.026 0.000 2.617 486 V HA 0.320 -2.075 4.120 -10.858 0.000 0.298 486 V C 1.522 177.633 176.094 0.028 0.000 1.048 486 V CA -0.161 62.149 62.300 0.017 0.000 0.964 486 V CB 1.613 33.436 31.823 0.001 0.000 1.004 486 V HN 1.046 nan 8.190 nan 0.000 0.466 487 G N 1.833 110.653 108.800 0.034 0.000 2.448 487 G HA2 -0.177 -2.732 3.960 -10.858 0.000 0.219 487 G HA3 -0.177 -2.732 3.960 -10.858 0.000 0.219 487 G C 1.489 176.410 174.900 0.035 0.000 1.127 487 G CA 1.140 46.269 45.100 0.049 0.000 0.766 487 G HN 0.673 nan 8.290 nan 0.000 0.552 488 S N -0.108 115.606 115.700 0.024 0.000 2.402 488 S HA -0.063 -2.109 4.470 -10.858 0.000 0.229 488 S C 2.422 177.045 174.600 0.038 0.000 1.021 488 S CA 1.089 59.302 58.200 0.022 0.000 0.974 488 S CB -0.013 63.191 63.200 0.008 0.000 0.800 488 S HN 0.225 nan 8.310 nan 0.000 0.484 489 V N 1.587 121.528 119.914 0.046 0.000 2.649 489 V HA 0.040 -2.355 4.120 -10.858 0.000 0.248 489 V C 2.038 178.225 176.094 0.155 0.000 1.054 489 V CA 1.003 63.357 62.300 0.090 0.000 1.073 489 V CB -0.667 31.173 31.823 0.027 0.000 0.699 489 V HN 0.368 nan 8.190 nan 0.000 0.463 490 L N -0.459 120.815 121.223 0.084 0.000 2.141 490 L HA -0.133 -2.308 4.340 -10.858 0.000 0.209 490 L C 2.775 179.632 176.870 -0.022 0.000 1.094 490 L CA 1.196 56.066 54.840 0.050 0.000 0.763 490 L CB -0.490 41.588 42.059 0.031 0.000 0.908 490 L HN 0.302 nan 8.230 nan 0.000 0.437 491 Q N -0.131 119.659 119.800 -0.017 0.000 2.084 491 Q HA -0.267 -2.442 4.340 -10.858 0.000 0.202 491 Q C 2.075 178.037 176.000 -0.064 0.000 0.978 491 Q CA 1.630 57.399 55.803 -0.056 0.000 0.844 491 Q CB -0.069 28.657 28.738 -0.019 0.000 0.898 491 Q HN 0.554 nan 8.270 nan 0.000 0.426 492 E N -0.618 119.576 120.200 -0.009 0.000 2.152 492 E HA -0.104 -2.269 4.350 -10.858 0.000 0.192 492 E C 1.859 178.364 176.600 -0.158 0.000 0.983 492 E CA 0.828 57.213 56.400 -0.025 0.000 0.818 492 E CB -0.077 29.667 29.700 0.073 0.000 0.758 492 E HN 0.395 nan 8.360 nan 0.000 0.467 493 G N 0.200 108.896 108.800 -0.173 0.000 2.443 493 G HA2 -0.240 -2.795 3.960 -10.858 0.000 0.219 493 G HA3 -0.240 -2.795 3.960 -10.858 0.000 0.219 493 G C 1.611 176.378 174.900 -0.222 0.000 1.131 493 G CA 0.733 45.615 45.100 -0.363 0.000 0.775 493 G HN 0.341 nan 8.290 nan 0.000 0.547 494 C N 1.026 120.194 119.300 -0.219 0.000 2.476 494 C HA 0.018 -2.037 4.460 -10.858 0.000 0.278 494 C C 2.881 177.786 174.990 -0.142 0.000 1.274 494 C CA 1.222 60.041 59.018 -0.333 0.000 1.713 494 C CB -0.592 26.720 27.740 -0.715 0.000 2.039 494 C HN 0.805 nan 8.230 nan 0.000 0.484 495 E N 1.037 121.171 120.200 -0.111 0.000 2.274 495 E HA -0.189 -2.354 4.350 -10.858 0.000 0.194 495 E C 1.935 178.525 176.600 -0.017 0.000 0.996 495 E CA 0.848 57.238 56.400 -0.018 0.000 0.840 495 E CB -0.272 29.416 29.700 -0.019 0.000 0.772 495 E HN 0.583 nan 8.360 nan 0.000 0.491 496 K N 0.636 120.991 120.400 -0.076 0.000 2.062 496 K HA -0.056 -2.251 4.320 -10.858 0.000 0.205 496 K C 1.997 178.576 176.600 -0.035 0.000 1.051 496 K CA 0.944 57.181 56.287 -0.083 0.000 0.941 496 K CB 0.116 32.499 32.500 -0.194 0.000 0.719 496 K HN 0.108 nan 8.250 nan 0.000 0.440 497 I N 1.528 122.084 120.570 -0.022 0.000 2.439 497 I HA -0.197 -2.542 4.170 -10.858 0.000 0.251 497 I C 2.257 178.432 176.117 0.098 0.000 1.139 497 I CA 0.710 62.032 61.300 0.037 0.000 1.438 497 I CB -0.887 37.138 38.000 0.042 0.000 1.085 497 I HN 0.238 nan 8.210 nan 0.000 0.427 498 L N 1.053 122.347 121.223 0.118 0.000 2.046 498 L HA -0.156 -2.331 4.340 -10.858 0.000 0.208 498 L C 2.718 179.661 176.870 0.123 0.000 1.077 498 L CA 1.792 56.711 54.840 0.131 0.000 0.747 498 L CB -0.598 41.557 42.059 0.161 0.000 0.896 498 L HN 0.079 nan 8.230 nan 0.000 0.432 499 R N -0.663 119.885 120.500 0.080 0.000 2.115 499 R HA -0.058 -2.233 4.340 -10.858 0.000 0.226 499 R C 2.180 178.517 176.300 0.061 0.000 1.100 499 R CA 1.272 57.407 56.100 0.058 0.000 0.980 499 R CB -0.249 30.063 30.300 0.020 0.000 0.875 499 R HN 0.434 nan 8.270 nan 0.000 0.445 500 L N -0.502 120.761 121.223 0.067 0.000 2.291 500 L HA -0.151 -2.326 4.340 -10.858 0.000 0.214 500 L C 2.039 178.965 176.870 0.094 0.000 1.120 500 L CA 0.761 55.637 54.840 0.060 0.000 0.799 500 L CB -0.388 41.700 42.059 0.048 0.000 0.925 500 L HN 0.203 nan 8.230 nan 0.000 0.446 501 Y N 0.602 120.909 120.300 0.012 0.000 2.337 501 Y HA -0.054 -2.017 4.550 -10.855 0.000 0.293 501 Y C 2.291 178.208 175.900 0.028 0.000 1.123 501 Y CA 1.215 59.322 58.100 0.012 0.000 1.201 501 Y CB -0.159 38.300 38.460 -0.002 0.000 1.011 501 Y HN 0.056 nan 8.280 nan 0.000 0.545 502 G N -0.752 108.124 108.800 0.127 0.000 2.484 502 G HA2 -0.172 -2.727 3.960 -10.858 0.000 0.218 502 G HA3 -0.172 -2.727 3.960 -10.858 0.000 0.218 502 G C 1.142 176.112 174.900 0.117 0.000 1.130 502 G CA 0.878 46.034 45.100 0.093 0.000 0.784 502 G HN 0.342 nan 8.290 nan 0.000 0.543 503 D N 0.304 120.747 120.400 0.071 0.000 2.349 503 D HA 0.046 -1.829 4.640 -10.858 0.000 0.224 503 D C 2.193 178.547 176.300 0.089 0.000 1.029 503 D CA 0.028 54.093 54.000 0.108 0.000 0.879 503 D CB 0.276 41.077 40.800 0.002 0.000 0.906 503 D HN 0.294 nan 8.370 nan 0.000 0.528 504 L N 0.834 122.033 121.223 -0.039 0.000 2.622 504 L HA -0.091 -2.266 4.340 -10.858 0.000 0.233 504 L C 2.123 178.931 176.870 -0.103 0.000 1.156 504 L CA 0.634 55.404 54.840 -0.117 0.000 0.866 504 L CB -0.102 41.784 42.059 -0.288 0.000 0.980 504 L HN 0.076 nan 8.230 nan 0.000 0.448 505 Q N -2.380 117.376 119.800 -0.074 0.000 2.247 505 Q HA 0.037 -2.138 4.340 -10.858 0.000 0.211 505 Q C 0.855 176.705 176.000 -0.250 0.000 0.861 505 Q CA 0.057 55.763 55.803 -0.163 0.000 0.949 505 Q CB 0.241 28.856 28.738 -0.205 0.000 1.115 505 Q HN 0.540 nan 8.270 nan 0.000 0.507 506 H N 1.111 120.148 119.070 -0.054 0.000 2.505 506 H HA 0.206 -1.753 4.556 -10.859 0.000 0.286 506 H C 0.020 175.323 175.328 -0.041 0.000 1.072 506 H CA -0.315 55.709 56.048 -0.040 0.000 1.141 506 H CB 0.563 30.308 29.762 -0.029 0.000 1.550 506 H HN 0.209 nan 8.280 nan 0.000 0.547 507 L N -0.274 120.964 121.223 0.025 0.000 2.399 507 L HA 0.492 -1.683 4.340 -10.858 0.000 0.266 507 L C 0.100 176.944 176.870 -0.043 0.000 1.114 507 L CA -0.872 53.968 54.840 -0.000 0.000 0.804 507 L CB 0.671 42.723 42.059 -0.013 0.000 1.146 507 L HN -0.233 nan 8.230 nan 0.000 0.451 508 K N 0.223 120.589 120.400 -0.055 0.000 2.292 508 K HA 0.685 -1.510 4.320 -10.858 0.000 0.257 508 K C -1.148 175.356 176.600 -0.159 0.000 0.940 508 K CA -0.234 55.959 56.287 -0.156 0.000 0.811 508 K CB 1.622 33.992 32.500 -0.215 0.000 1.120 508 K HN 0.833 nan 8.250 nan 0.000 0.428 509 T N 5.201 119.623 114.554 -0.220 0.000 2.809 509 T HA 0.365 -1.800 4.350 -10.858 0.000 0.284 509 T C 0.227 174.802 174.700 -0.209 0.000 0.992 509 T CA -0.445 61.577 62.100 -0.131 0.000 0.957 509 T CB 0.489 69.300 68.868 -0.095 0.000 0.942 509 T HN 0.444 nan 8.240 nan 0.000 0.439 510 F N 0.571 120.506 119.950 -0.024 0.000 2.220 510 F HA 0.137 -1.852 4.527 -10.859 0.000 0.290 510 F C 1.655 177.438 175.800 -0.028 0.000 1.080 510 F CA 0.068 58.058 58.000 -0.016 0.000 1.318 510 F CB 0.277 39.273 39.000 -0.008 0.000 1.063 510 F HN 0.422 nan 8.300 nan 0.000 0.498 511 D N 1.462 121.953 120.400 0.151 0.000 2.358 511 D HA 0.047 -1.828 4.640 -10.858 0.000 0.258 511 D C -0.067 176.212 176.300 -0.034 0.000 1.223 511 D CA 0.218 54.252 54.000 0.055 0.000 0.886 511 D CB 0.452 41.279 40.800 0.044 0.000 1.120 511 D HN 0.179 nan 8.370 nan 0.000 0.482 512 R N 2.831 123.299 120.500 -0.054 0.000 3.220 512 R HA 0.381 -1.794 4.340 -10.858 0.000 0.324 512 R C 0.432 176.658 176.300 -0.124 0.000 1.283 512 R CA -0.579 55.420 56.100 -0.168 0.000 1.387 512 R CB 1.328 31.533 30.300 -0.159 0.000 1.413 512 R HN 0.300 nan 8.270 nan 0.000 0.610 513 G N -0.310 108.440 108.800 -0.084 0.000 2.735 513 G HA2 0.322 -2.234 3.960 -10.858 0.000 0.301 513 G HA3 0.322 -2.234 3.960 -10.858 0.000 0.301 513 G C 0.539 175.416 174.900 -0.038 0.000 1.279 513 G CA -0.493 44.583 45.100 -0.039 0.000 1.019 513 G HN 0.007 nan 8.290 nan 0.000 0.497 514 M N -0.523 119.075 119.600 -0.003 0.000 2.556 514 M HA 0.136 -1.900 4.480 -10.858 0.000 0.259 514 M C 0.973 177.294 176.300 0.035 0.000 1.175 514 M CA 0.639 55.947 55.300 0.013 0.000 1.202 514 M CB -0.255 32.357 32.600 0.019 0.000 1.298 514 M HN 0.136 nan 8.290 nan 0.000 0.492 515 V N 1.468 121.424 119.914 0.069 0.000 2.485 515 V HA -0.103 -2.498 4.120 -10.858 0.000 0.287 515 V C -0.639 175.584 176.094 0.216 0.000 1.022 515 V CA -0.056 62.325 62.300 0.136 0.000 1.067 515 V CB -1.031 30.874 31.823 0.137 0.000 0.967 515 V HN 0.687 nan 8.190 nan 0.000 0.479 516 W N 4.285 125.575 121.300 -0.016 0.000 5.456 516 W HA -0.215 -2.070 4.660 -10.858 0.000 0.433 516 W C 0.744 177.243 176.519 -0.034 0.000 1.783 516 W CA 0.404 57.736 57.345 -0.022 0.000 0.881 516 W CB -0.698 28.754 29.460 -0.012 0.000 2.913 516 W HN 0.707 nan 8.180 nan 0.000 1.117 517 N N 1.267 119.975 118.700 0.012 0.000 2.801 517 N HA 0.129 -1.646 4.740 -10.858 0.000 0.235 517 N C 1.288 176.756 175.510 -0.069 0.000 1.069 517 N CA 0.700 53.741 53.050 -0.015 0.000 0.946 517 N CB 0.599 39.048 38.487 -0.063 0.000 1.212 517 N HN 0.287 nan 8.380 nan 0.000 0.509 518 T N -1.250 113.313 114.554 0.014 0.000 2.962 518 T HA -0.113 -2.278 4.350 -10.858 0.000 0.270 518 T C 1.286 175.960 174.700 -0.042 0.000 1.088 518 T CA 0.675 62.766 62.100 -0.015 0.000 1.127 518 T CB 0.138 69.065 68.868 0.098 0.000 0.883 518 T HN 0.190 nan 8.240 nan 0.000 0.493 519 D N 0.728 121.115 120.400 -0.021 0.000 2.224 519 D HA -0.005 -1.880 4.640 -10.858 0.000 0.205 519 D C 1.766 178.027 176.300 -0.064 0.000 0.965 519 D CA 0.334 54.324 54.000 -0.017 0.000 0.852 519 D CB -0.257 40.559 40.800 0.026 0.000 0.947 519 D HN 0.373 nan 8.370 nan 0.000 0.494 520 L N 0.039 121.196 121.223 -0.111 0.000 2.102 520 L HA 0.003 -2.172 4.340 -10.858 0.000 0.202 520 L C 2.353 179.072 176.870 -0.251 0.000 1.076 520 L CA 1.229 55.972 54.840 -0.162 0.000 0.761 520 L CB -0.557 41.401 42.059 -0.168 0.000 0.921 520 L HN 0.051 nan 8.230 nan 0.000 0.444 521 V N -3.235 116.475 119.914 -0.340 0.000 2.667 521 V HA -0.117 -2.512 4.120 -10.858 0.000 0.252 521 V C 2.080 177.907 176.094 -0.445 0.000 1.065 521 V CA 1.659 63.594 62.300 -0.609 0.000 1.083 521 V CB -1.033 30.362 31.823 -0.713 0.000 0.692 521 V HN 0.525 nan 8.190 nan 0.000 0.468 522 E N 0.818 120.885 120.200 -0.221 0.000 2.208 522 E HA -0.086 -2.251 4.350 -10.858 0.000 0.193 522 E C 2.259 178.814 176.600 -0.074 0.000 0.988 522 E CA 1.524 57.862 56.400 -0.103 0.000 0.828 522 E CB -0.187 29.484 29.700 -0.049 0.000 0.763 522 E HN 0.732 nan 8.360 nan 0.000 0.478 523 T N 1.295 115.790 114.554 -0.099 0.000 2.857 523 T HA -0.037 -2.202 4.350 -10.858 0.000 0.266 523 T C 1.970 176.623 174.700 -0.077 0.000 1.048 523 T CA 0.511 62.568 62.100 -0.072 0.000 1.139 523 T CB -0.043 68.781 68.868 -0.074 0.000 0.874 523 T HN 0.075 nan 8.240 nan 0.000 0.455 524 L N 0.678 121.816 121.223 -0.142 0.000 2.093 524 L HA -0.052 -2.227 4.340 -10.858 0.000 0.208 524 L C 2.739 179.638 176.870 0.048 0.000 1.085 524 L CA 1.310 56.095 54.840 -0.092 0.000 0.755 524 L CB -0.453 41.444 42.059 -0.269 0.000 0.904 524 L HN 0.294 nan 8.230 nan 0.000 0.435 525 E N -0.190 120.025 120.200 0.025 0.000 2.106 525 E HA -0.247 -2.413 4.350 -10.858 0.000 0.192 525 E C 2.074 178.721 176.600 0.078 0.000 0.984 525 E CA 0.923 57.401 56.400 0.129 0.000 0.806 525 E CB -0.073 29.693 29.700 0.110 0.000 0.750 525 E HN 0.253 nan 8.360 nan 0.000 0.458 526 L N 1.298 122.543 121.223 0.036 0.000 2.083 526 L HA -0.209 -2.384 4.340 -10.858 0.000 0.209 526 L C 2.063 178.950 176.870 0.028 0.000 1.083 526 L CA 1.749 56.608 54.840 0.031 0.000 0.752 526 L CB -0.232 41.835 42.059 0.013 0.000 0.899 526 L HN 0.059 nan 8.230 nan 0.000 0.433 527 Q N -0.698 119.112 119.800 0.016 0.000 2.124 527 Q HA -0.179 -2.354 4.340 -10.858 0.000 0.202 527 Q C 1.798 177.829 176.000 0.052 0.000 0.977 527 Q CA 1.644 57.454 55.803 0.012 0.000 0.850 527 Q CB -0.147 28.588 28.738 -0.006 0.000 0.901 527 Q HN 0.574 nan 8.270 nan 0.000 0.429 528 N N 0.333 119.072 118.700 0.064 0.000 2.354 528 N HA -0.041 -1.816 4.740 -10.858 0.000 0.179 528 N C 1.627 177.152 175.510 0.025 0.000 1.021 528 N CA 0.660 53.742 53.050 0.052 0.000 0.887 528 N CB -0.049 38.485 38.487 0.078 0.000 0.974 528 N HN 0.161 nan 8.380 nan 0.000 0.437 529 L N -0.138 121.111 121.223 0.045 0.000 2.109 529 L HA -0.026 -2.201 4.340 -10.858 0.000 0.207 529 L C 2.077 178.957 176.870 0.016 0.000 1.086 529 L CA 0.746 55.608 54.840 0.037 0.000 0.760 529 L CB -0.230 41.866 42.059 0.062 0.000 0.910 529 L HN 0.144 nan 8.230 nan 0.000 0.437 530 M N -0.478 119.153 119.600 0.051 0.000 2.117 530 M HA -0.192 -2.228 4.480 -10.858 0.000 0.262 530 M C 2.359 178.699 176.300 0.067 0.000 1.065 530 M CA 1.795 57.153 55.300 0.096 0.000 1.114 530 M CB -0.950 31.764 32.600 0.190 0.000 1.361 530 M HN 0.233 nan 8.290 nan 0.000 0.408 531 L N -1.034 120.225 121.223 0.061 0.000 2.191 531 L HA -0.241 -2.416 4.340 -10.858 0.000 0.212 531 L C 2.465 179.243 176.870 -0.153 0.000 1.103 531 L CA 0.708 55.529 54.840 -0.032 0.000 0.769 531 L CB -0.539 41.519 42.059 -0.001 0.000 0.908 531 L HN 0.345 nan 8.230 nan 0.000 0.438 532 C N -0.965 118.211 119.300 -0.207 0.000 2.485 532 C HA 0.094 -1.961 4.460 -10.858 0.000 0.278 532 C C 3.039 177.849 174.990 -0.299 0.000 1.356 532 C CA 0.404 59.158 59.018 -0.439 0.000 1.747 532 C CB -0.718 26.586 27.740 -0.727 0.000 2.001 532 C HN 0.588 nan 8.230 nan 0.000 0.501 533 A N 0.330 123.071 122.820 -0.132 0.000 1.929 533 A HA -0.034 -2.229 4.320 -10.858 0.000 0.216 533 A C 1.965 179.536 177.584 -0.021 0.000 1.176 533 A CA 1.312 53.316 52.037 -0.055 0.000 0.628 533 A CB -0.445 18.537 19.000 -0.031 0.000 0.816 533 A HN 0.488 nan 8.150 nan 0.000 0.444 534 L N -0.513 120.684 121.223 -0.043 0.000 2.056 534 L HA -0.179 -2.354 4.340 -10.858 0.000 0.207 534 L C 2.706 179.579 176.870 0.005 0.000 1.078 534 L CA 1.714 56.540 54.840 -0.022 0.000 0.749 534 L CB -0.375 41.565 42.059 -0.200 0.000 0.901 534 L HN 0.431 nan 8.230 nan 0.000 0.433 535 Q N -1.591 118.158 119.800 -0.084 0.000 2.297 535 Q HA -0.108 -2.283 4.340 -10.858 0.000 0.204 535 Q C 1.978 177.979 176.000 0.002 0.000 0.962 535 Q CA 1.517 57.278 55.803 -0.070 0.000 0.879 535 Q CB -0.045 28.608 28.738 -0.143 0.000 0.947 535 Q HN 0.489 nan 8.270 nan 0.000 0.462 536 T N 0.966 115.532 114.554 0.020 0.000 2.770 536 T HA -0.088 -2.253 4.350 -10.858 0.000 0.263 536 T C 1.769 176.530 174.700 0.101 0.000 1.039 536 T CA 0.754 62.910 62.100 0.093 0.000 1.142 536 T CB -0.071 68.902 68.868 0.174 0.000 0.868 536 T HN 0.141 nan 8.240 nan 0.000 0.435 537 I N -0.015 120.619 120.570 0.106 0.000 2.353 537 I HA -0.041 -2.386 4.170 -10.858 0.000 0.248 537 I C 1.817 177.962 176.117 0.047 0.000 1.119 537 I CA 1.231 62.579 61.300 0.080 0.000 1.417 537 I CB -0.189 37.839 38.000 0.046 0.000 1.078 537 I HN 0.184 nan 8.210 nan 0.000 0.421 538 Y N 0.383 120.672 120.300 -0.019 0.000 2.314 538 Y HA -0.011 -1.979 4.550 -10.863 0.000 0.293 538 Y C 2.523 178.410 175.900 -0.022 0.000 1.129 538 Y CA 1.492 59.580 58.100 -0.019 0.000 1.201 538 Y CB -0.962 37.477 38.460 -0.034 0.000 0.999 538 Y HN 0.199 nan 8.280 nan 0.000 0.541 539 G N -0.998 107.866 108.800 0.106 0.000 2.448 539 G HA2 -0.116 -2.671 3.960 -10.858 0.000 0.218 539 G HA3 -0.116 -2.671 3.960 -10.858 0.000 0.218 539 G C 1.817 176.654 174.900 -0.105 0.000 1.135 539 G CA 0.751 45.854 45.100 0.005 0.000 0.784 539 G HN 0.438 nan 8.290 nan 0.000 0.543 540 A N 1.435 124.226 122.820 -0.049 0.000 1.930 540 A HA 0.092 -2.103 4.320 -10.858 0.000 0.215 540 A C 2.139 179.766 177.584 0.071 0.000 1.176 540 A CA 1.903 53.950 52.037 0.017 0.000 0.632 540 A CB -0.252 18.831 19.000 0.139 0.000 0.819 540 A HN 0.488 nan 8.150 nan 0.000 0.445 541 E N 0.091 120.292 120.200 0.003 0.000 2.285 541 E HA 0.214 -1.951 4.350 -10.858 0.000 0.194 541 E C 1.600 178.178 176.600 -0.037 0.000 0.997 541 E CA 1.188 57.581 56.400 -0.012 0.000 0.845 541 E CB -0.344 29.318 29.700 -0.062 0.000 0.782 541 E HN 0.369 nan 8.360 nan 0.000 0.491 542 A N 1.086 123.870 122.820 -0.059 0.000 1.898 542 A HA 0.024 -2.171 4.320 -10.858 0.000 0.214 542 A C 1.616 178.965 177.584 -0.393 0.000 1.183 542 A CA 0.578 52.582 52.037 -0.054 0.000 0.622 542 A CB -0.369 18.692 19.000 0.102 0.000 0.824 542 A HN 0.186 nan 8.150 nan 0.000 0.444 543 R N 0.965 121.102 120.500 -0.605 0.000 2.370 543 R HA 0.183 -1.993 4.340 -10.858 0.000 0.309 543 R C -0.857 174.930 176.300 -0.855 0.000 1.059 543 R CA 0.155 55.532 56.100 -1.205 0.000 0.981 543 R CB 0.148 29.879 30.300 -0.948 0.000 0.972 543 R HN 0.197 nan 8.270 nan 0.000 0.437 544 K N 4.994 124.596 120.400 -1.331 0.000 2.847 544 K HA 0.104 -2.091 4.320 -10.858 0.000 0.213 544 K C -0.955 175.404 176.600 -0.400 0.000 1.174 544 K CA -0.237 55.642 56.287 -0.679 0.000 1.095 544 K CB 0.538 32.523 32.500 -0.859 0.000 1.581 544 K HN 0.705 nan 8.250 nan 0.000 0.514 545 E N -1.737 118.375 120.200 -0.148 0.000 2.439 545 E HA 0.328 -1.837 4.350 -10.858 0.000 0.279 545 E C -1.167 175.518 176.600 0.141 0.000 1.077 545 E CA -1.058 55.384 56.400 0.071 0.000 0.849 545 E CB 1.146 30.903 29.700 0.094 0.000 1.408 545 E HN -0.140 nan 8.360 nan 0.000 0.457 546 S N 0.283 116.078 115.700 0.158 0.000 2.426 546 S HA 0.361 -1.684 4.470 -10.858 0.000 0.236 546 S C -0.819 173.891 174.600 0.183 0.000 1.368 546 S CA -0.590 57.691 58.200 0.135 0.000 1.154 546 S CB 0.139 63.401 63.200 0.104 0.000 1.037 546 S HN 0.372 nan 8.310 nan 0.000 0.481 547 R N 2.061 122.715 120.500 0.257 0.000 2.388 547 R HA 0.555 -1.620 4.340 -10.858 0.000 0.314 547 R C 0.944 177.457 176.300 0.355 0.000 0.959 547 R CA 0.393 56.673 56.100 0.301 0.000 0.851 547 R CB 0.562 31.069 30.300 0.344 0.000 1.168 547 R HN 0.752 nan 8.270 nan 0.000 0.472 548 G N 2.817 111.763 108.800 0.243 0.000 2.565 548 G HA2 -0.476 -3.031 3.960 -10.858 0.000 0.295 548 G HA3 -0.476 -3.031 3.960 -10.858 0.000 0.295 548 G C 0.777 175.803 174.900 0.210 0.000 1.165 548 G CA 0.499 45.726 45.100 0.212 0.000 0.977 548 G HN 0.744 nan 8.290 nan 0.000 0.546 549 A N -0.739 122.257 122.820 0.293 0.000 1.898 549 A HA 0.096 -2.099 4.320 -10.858 0.000 0.216 549 A C 1.393 179.097 177.584 0.200 0.000 1.181 549 A CA 1.878 54.066 52.037 0.252 0.000 0.620 549 A CB -0.528 18.656 19.000 0.306 0.000 0.819 549 A HN 1.110 nan 8.150 nan 0.000 0.442 550 H N 0.495 119.647 119.070 0.136 0.000 2.944 550 H HA 0.485 -1.479 4.556 -10.867 0.000 0.278 550 H C -0.788 174.523 175.328 -0.029 0.000 1.083 550 H CA 0.427 56.433 56.048 -0.069 0.000 1.479 550 H CB 0.131 29.634 29.762 -0.432 0.000 1.486 550 H HN 0.278 nan 8.280 nan 0.000 0.493 551 A N 7.534 130.133 122.820 -0.369 0.000 2.357 551 A HA 0.439 -1.756 4.320 -10.858 0.000 0.295 551 A C -0.343 177.070 177.584 -0.284 0.000 1.121 551 A CA -0.907 50.974 52.037 -0.259 0.000 0.742 551 A CB 0.973 19.817 19.000 -0.261 0.000 1.181 551 A HN 0.660 nan 8.150 nan 0.000 0.454 552 R N 1.754 122.161 120.500 -0.154 0.000 2.368 552 R HA 0.292 -1.883 4.340 -10.858 0.000 0.302 552 R C 0.200 176.530 176.300 0.049 0.000 1.002 552 R CA -0.501 55.565 56.100 -0.056 0.000 0.929 552 R CB 1.388 31.715 30.300 0.045 0.000 1.073 552 R HN 0.816 nan 8.270 nan 0.000 0.464 553 E N 1.535 121.767 120.200 0.054 0.000 2.158 553 E HA -0.121 -2.286 4.350 -10.858 0.000 0.191 553 E C 0.540 177.112 176.600 -0.047 0.000 0.982 553 E CA 1.323 57.746 56.400 0.039 0.000 0.823 553 E CB 0.346 30.060 29.700 0.023 0.000 0.766 553 E HN 0.535 nan 8.360 nan 0.000 0.468 554 D N -0.312 120.035 120.400 -0.090 0.000 2.103 554 D HA -0.090 -1.966 4.640 -10.858 0.000 0.199 554 D C 0.064 176.015 176.300 -0.581 0.000 0.978 554 D CA 0.919 54.715 54.000 -0.339 0.000 0.829 554 D CB -0.028 40.582 40.800 -0.316 0.000 0.981 554 D HN 0.061 nan 8.370 nan 0.000 0.464 555 F N 0.823 120.787 119.950 0.023 0.000 2.532 555 F HA 0.296 -1.612 4.527 -10.725 0.000 0.365 555 F C 0.902 176.728 175.800 0.044 0.000 1.112 555 F CA -0.908 57.115 58.000 0.039 0.000 1.082 555 F CB 1.256 40.281 39.000 0.043 0.000 1.319 555 F HN -0.240 nan 8.300 nan 0.000 0.457 556 K N 0.970 121.468 120.400 0.164 0.000 2.437 556 K HA 0.175 -2.020 4.320 -10.858 0.000 0.198 556 K C -0.308 176.383 176.600 0.151 0.000 1.024 556 K CA 0.223 56.593 56.287 0.138 0.000 1.148 556 K CB 0.200 32.763 32.500 0.106 0.000 0.860 556 K HN 0.378 nan 8.250 nan 0.000 0.515 557 E N 1.555 121.867 120.200 0.187 0.000 2.283 557 E HA 0.219 -1.946 4.350 -10.858 0.000 0.271 557 E C -0.297 176.411 176.600 0.178 0.000 1.031 557 E CA -0.707 55.798 56.400 0.174 0.000 0.868 557 E CB 1.133 30.946 29.700 0.187 0.000 1.094 557 E HN -0.030 nan 8.360 nan 0.000 0.401 558 R N 1.547 122.145 120.500 0.164 0.000 2.308 558 R HA 0.191 -1.984 4.340 -10.858 0.000 0.325 558 R C -0.715 175.696 176.300 0.185 0.000 1.161 558 R CA -0.328 55.877 56.100 0.174 0.000 1.022 558 R CB -0.104 30.288 30.300 0.153 0.000 1.091 558 R HN 0.200 nan 8.270 nan 0.000 0.497 559 V N 5.108 125.152 119.914 0.217 0.000 2.313 559 V HA 0.056 -2.339 4.120 -10.858 0.000 0.252 559 V C 0.631 176.858 176.094 0.223 0.000 1.112 559 V CA -0.056 62.378 62.300 0.223 0.000 0.984 559 V CB 0.162 32.170 31.823 0.307 0.000 1.157 559 V HN 0.486 nan 8.190 nan 0.000 0.493 560 D N 2.855 123.361 120.400 0.177 0.000 2.564 560 D HA 0.268 -1.607 4.640 -10.858 0.000 0.273 560 D C 1.044 177.302 176.300 -0.070 0.000 1.192 560 D CA -0.557 53.534 54.000 0.152 0.000 1.080 560 D CB 1.225 42.190 40.800 0.275 0.000 1.160 560 D HN 0.442 nan 8.370 nan 0.000 0.607 561 E N -0.619 119.375 120.200 -0.343 0.000 2.106 561 E HA -0.092 -2.258 4.350 -10.858 0.000 0.192 561 E C -0.061 176.084 176.600 -0.758 0.000 0.984 561 E CA 1.328 57.225 56.400 -0.837 0.000 0.806 561 E CB -0.177 28.919 29.700 -1.008 0.000 0.750 561 E HN 0.395 nan 8.360 nan 0.000 0.458 562 Y N -0.600 119.571 120.300 -0.216 0.000 2.633 562 Y HA 0.350 -1.609 4.550 -10.849 0.000 0.339 562 Y C -0.461 175.261 175.900 -0.297 0.000 1.045 562 Y CA -1.671 56.201 58.100 -0.380 0.000 1.098 562 Y CB 1.153 39.172 38.460 -0.734 0.000 1.296 562 Y HN -0.282 nan 8.280 nan 0.000 0.494 563 D N 0.342 120.701 120.400 -0.067 0.000 2.422 563 D HA 0.116 -1.759 4.640 -10.858 0.000 0.227 563 D C -0.389 175.862 176.300 -0.083 0.000 1.190 563 D CA 0.110 54.097 54.000 -0.021 0.000 0.905 563 D CB -0.069 40.731 40.800 0.000 0.000 1.034 563 D HN 0.427 nan 8.370 nan 0.000 0.507 564 Y N 1.330 121.633 120.300 0.005 0.000 2.578 564 Y HA -0.068 -2.038 4.550 -10.867 0.000 0.297 564 Y C 2.459 178.328 175.900 -0.051 0.000 1.176 564 Y CA 0.417 58.490 58.100 -0.045 0.000 1.315 564 Y CB -0.061 38.335 38.460 -0.107 0.000 1.031 564 Y HN 0.410 nan 8.280 nan 0.000 0.524 565 S N 0.223 115.969 115.700 0.076 0.000 2.383 565 S HA -0.124 -2.169 4.470 -10.858 0.000 0.227 565 S C 0.742 175.349 174.600 0.011 0.000 1.026 565 S CA 0.310 58.534 58.200 0.041 0.000 0.981 565 S CB -0.386 62.836 63.200 0.037 0.000 0.818 565 S HN 0.432 nan 8.310 nan 0.000 0.472 566 K N 1.658 122.048 120.400 -0.016 0.000 2.123 566 K HA 0.646 -1.549 4.320 -10.858 0.000 0.259 566 K C -3.354 173.200 176.600 -0.077 0.000 0.960 566 K CA -2.497 53.767 56.287 -0.040 0.000 0.872 566 K CB 0.526 33.000 32.500 -0.044 0.000 1.079 566 K HN -0.066 nan 8.250 nan 0.000 0.440 567 P HA 0.007 nan 4.420 nan 0.000 0.268 567 P C -0.693 176.503 177.300 -0.174 0.000 1.204 567 P CA -0.435 62.606 63.100 -0.099 0.000 0.768 567 P CB 0.331 31.989 31.700 -0.069 0.000 0.842 568 I N 2.780 123.192 120.570 -0.263 0.000 2.379 568 I HA 0.145 -2.200 4.170 -10.858 0.000 0.290 568 I C 0.718 176.670 176.117 -0.276 0.000 1.063 568 I CA 0.866 61.925 61.300 -0.402 0.000 1.351 568 I CB 0.036 37.564 38.000 -0.786 0.000 1.410 568 I HN 0.452 nan 8.210 nan 0.000 0.505 569 Q N 3.985 123.653 119.800 -0.220 0.000 2.241 569 Q HA 0.232 -1.943 4.340 -10.858 0.000 0.184 569 Q C 1.115 177.047 176.000 -0.112 0.000 0.712 569 Q CA 0.548 56.263 55.803 -0.145 0.000 0.863 569 Q CB 0.246 28.923 28.738 -0.102 0.000 1.256 569 Q HN 0.744 nan 8.270 nan 0.000 0.409 570 G N 0.493 109.231 108.800 -0.104 0.000 3.324 570 G HA2 0.155 -2.400 3.960 -10.858 0.000 0.251 570 G HA3 0.155 -2.400 3.960 -10.858 0.000 0.251 570 G C -0.100 174.759 174.900 -0.068 0.000 1.072 570 G CA -0.097 44.960 45.100 -0.071 0.000 0.787 570 G HN 0.126 nan 8.290 nan 0.000 0.537 571 Q N 0.404 120.141 119.800 -0.104 0.000 2.260 571 Q HA 0.397 -1.778 4.340 -10.858 0.000 0.242 571 Q C -0.366 175.624 176.000 -0.016 0.000 0.932 571 Q CA -0.414 55.344 55.803 -0.074 0.000 0.891 571 Q CB 0.985 29.647 28.738 -0.126 0.000 1.222 571 Q HN 0.282 nan 8.270 nan 0.000 0.453 572 Q N 1.814 121.643 119.800 0.049 0.000 2.214 572 Q HA 0.271 -1.905 4.340 -10.858 0.000 0.251 572 Q C -1.174 174.932 176.000 0.177 0.000 0.936 572 Q CA -0.502 55.355 55.803 0.091 0.000 0.894 572 Q CB 1.484 30.246 28.738 0.040 0.000 1.252 572 Q HN 0.439 nan 8.270 nan 0.000 0.448 573 K N 1.984 122.474 120.400 0.150 0.000 2.144 573 K HA 0.230 -1.965 4.320 -10.858 0.000 0.270 573 K C -0.818 175.713 176.600 -0.115 0.000 1.005 573 K CA -0.248 56.021 56.287 -0.030 0.000 0.932 573 K CB 0.820 33.314 32.500 -0.011 0.000 1.021 573 K HN 0.393 nan 8.250 nan 0.000 0.462 574 K N 3.494 123.747 120.400 -0.244 0.000 2.118 574 K HA 0.303 -1.892 4.320 -10.858 0.000 0.267 574 K C -2.342 174.226 176.600 -0.052 0.000 0.991 574 K CA -1.926 54.279 56.287 -0.136 0.000 0.916 574 K CB 1.116 33.525 32.500 -0.151 0.000 1.041 574 K HN 0.440 nan 8.250 nan 0.000 0.455 575 P HA -0.040 nan 4.420 nan 0.000 0.270 575 P C 0.080 177.467 177.300 0.145 0.000 1.223 575 P CA -0.132 63.006 63.100 0.064 0.000 0.785 575 P CB 0.365 32.072 31.700 0.012 0.000 0.923 576 F N 1.474 121.428 119.950 0.006 0.000 2.126 576 F HA -0.216 -2.172 4.527 -10.806 0.000 0.299 576 F C 1.785 177.366 175.800 -0.364 0.000 1.096 576 F CA 1.299 59.243 58.000 -0.094 0.000 1.255 576 F CB 0.014 38.985 39.000 -0.047 0.000 0.997 576 F HN 0.274 nan 8.300 nan 0.000 0.479 577 Q N 0.473 120.058 119.800 -0.358 0.000 2.253 577 Q HA -0.025 -2.200 4.340 -10.858 0.000 0.210 577 Q C 0.675 176.335 176.000 -0.567 0.000 0.907 577 Q CA 0.574 56.049 55.803 -0.547 0.000 0.948 577 Q CB 0.163 28.757 28.738 -0.241 0.000 1.033 577 Q HN 0.663 nan 8.270 nan 0.000 0.471 578 E N 0.569 120.448 120.200 -0.534 0.000 2.500 578 E HA 0.017 -2.149 4.350 -10.858 0.000 0.217 578 E C -0.058 176.247 176.600 -0.491 0.000 0.848 578 E CA -0.105 56.038 56.400 -0.428 0.000 1.217 578 E CB 0.439 30.021 29.700 -0.195 0.000 1.217 578 E HN 0.555 nan 8.360 nan 0.000 0.573 579 H N -2.461 116.269 119.070 -0.566 0.000 2.533 579 H HA 0.132 -1.821 4.556 -10.849 0.000 0.343 579 H C -0.602 174.360 175.328 -0.611 0.000 1.160 579 H CA -0.867 54.901 56.048 -0.466 0.000 1.218 579 H CB 0.468 30.082 29.762 -0.247 0.000 1.566 579 H HN 0.085 nan 8.280 nan 0.000 0.522 580 W N 1.301 122.501 121.300 -0.167 0.000 3.330 580 W HA 0.269 4.803 4.660 -0.209 0.000 0.348 580 W C 1.241 177.704 176.519 -0.094 0.000 1.205 580 W CA -0.579 56.633 57.345 -0.222 0.000 1.841 580 W CB 0.522 29.908 29.460 -0.124 0.000 1.084 580 W HN 0.380 nan 8.180 nan 0.000 0.665 581 R N 3.188 123.807 120.500 0.198 0.000 4.164 581 R HA 0.059 -2.116 4.340 -10.858 0.000 0.195 581 R C -0.131 176.222 176.300 0.089 0.000 1.712 581 R CA 0.360 56.588 56.100 0.214 0.000 1.457 581 R CB -0.914 29.569 30.300 0.306 0.000 1.387 581 R HN 0.045 nan 8.270 nan 0.000 0.785 582 K N 0.030 120.439 120.400 0.014 0.000 2.575 582 K HA 0.245 -1.950 4.320 -10.858 0.000 0.279 582 K C -1.273 175.382 176.600 0.092 0.000 0.969 582 K CA -1.045 55.252 56.287 0.016 0.000 0.868 582 K CB 1.066 33.519 32.500 -0.077 0.000 1.457 582 K HN 0.102 nan 8.250 nan 0.000 0.426 583 H N 1.177 120.402 119.070 0.260 0.000 2.722 583 H HA 0.122 -1.833 4.556 -10.852 0.000 0.328 583 H C -0.340 175.140 175.328 0.253 0.000 1.067 583 H CA 0.052 56.225 56.048 0.208 0.000 1.447 583 H CB 1.145 30.965 29.762 0.096 0.000 1.469 583 H HN 0.487 nan 8.280 nan 0.000 0.544 584 T N 5.924 120.685 114.554 0.344 0.000 2.738 584 T HA 0.223 -1.942 4.350 -10.858 0.000 0.294 584 T C 0.923 175.557 174.700 -0.110 0.000 0.914 584 T CA -0.490 61.648 62.100 0.064 0.000 1.052 584 T CB -0.263 68.705 68.868 0.166 0.000 0.897 584 T HN 0.247 nan 8.240 nan 0.000 0.522 585 L N 4.246 125.297 121.223 -0.285 0.000 2.255 585 L HA 0.385 -1.790 4.340 -10.858 0.000 0.289 585 L C 0.616 177.270 176.870 -0.360 0.000 1.046 585 L CA -0.596 54.063 54.840 -0.302 0.000 0.816 585 L CB 0.679 42.557 42.059 -0.300 0.000 1.197 585 L HN 0.615 nan 8.230 nan 0.000 0.427 586 S N 2.048 117.534 115.700 -0.356 0.000 2.451 586 S HA 0.698 -1.347 4.470 -10.858 0.000 0.301 586 S C -0.811 173.551 174.600 -0.395 0.000 1.116 586 S CA -0.741 57.294 58.200 -0.275 0.000 1.093 586 S CB 1.042 64.141 63.200 -0.168 0.000 1.017 586 S HN 0.301 nan 8.310 nan 0.000 0.482 587 Y N 0.802 121.032 120.300 -0.117 0.000 2.567 587 Y HA 0.780 -1.187 4.550 -10.862 0.000 0.333 587 Y C 0.021 175.832 175.900 -0.150 0.000 1.106 587 Y CA -1.194 56.839 58.100 -0.112 0.000 1.157 587 Y CB 1.734 40.143 38.460 -0.084 0.000 1.277 587 Y HN 0.644 nan 8.280 nan 0.000 0.490 588 V N 1.854 121.774 119.914 0.011 0.000 2.711 588 V HA 0.232 -2.163 4.120 -10.858 0.000 0.304 588 V C -1.207 174.837 176.094 -0.083 0.000 1.097 588 V CA -0.790 61.444 62.300 -0.111 0.000 0.906 588 V CB 1.699 33.382 31.823 -0.234 0.000 1.015 588 V HN 0.874 nan 8.190 nan 0.000 0.427 589 D N 4.528 124.870 120.400 -0.097 0.000 2.401 589 D HA 0.086 -1.789 4.640 -10.858 0.000 0.254 589 D C 1.193 177.465 176.300 -0.048 0.000 1.192 589 D CA 0.256 54.220 54.000 -0.060 0.000 0.885 589 D CB 2.035 42.801 40.800 -0.056 0.000 1.147 589 D HN 0.427 nan 8.370 nan 0.000 0.478 590 V N 4.915 124.834 119.914 0.010 0.000 2.407 590 V HA -0.223 -2.618 4.120 -10.858 0.000 0.248 590 V C 2.452 178.649 176.094 0.171 0.000 1.055 590 V CA 1.607 63.959 62.300 0.087 0.000 1.049 590 V CB -0.406 31.457 31.823 0.068 0.000 0.662 590 V HN 0.531 nan 8.190 nan 0.000 0.455 591 K N 0.303 120.763 120.400 0.100 0.000 2.044 591 K HA -0.099 -2.294 4.320 -10.858 0.000 0.204 591 K C 2.411 179.093 176.600 0.137 0.000 1.045 591 K CA 1.561 57.912 56.287 0.105 0.000 0.951 591 K CB -0.228 32.301 32.500 0.048 0.000 0.738 591 K HN 0.651 nan 8.250 nan 0.000 0.443 592 T N -3.008 111.590 114.554 0.073 0.000 2.896 592 T HA 0.081 -2.084 4.350 -10.858 0.000 0.263 592 T C 1.403 176.127 174.700 0.040 0.000 1.050 592 T CA 0.894 63.026 62.100 0.054 0.000 1.140 592 T CB -0.146 68.726 68.868 0.007 0.000 0.877 592 T HN 0.372 nan 8.240 nan 0.000 0.457 593 G N 1.346 110.095 108.800 -0.084 0.000 2.130 593 G HA2 -0.215 -2.770 3.960 -10.858 0.000 0.216 593 G HA3 -0.215 -2.770 3.960 -10.858 0.000 0.216 593 G C -0.138 174.546 174.900 -0.361 0.000 0.999 593 G CA 0.078 44.941 45.100 -0.395 0.000 0.686 593 G HN 0.818 nan 8.290 nan 0.000 0.515 594 K N 0.753 121.006 120.400 -0.244 0.000 2.258 594 K HA 0.533 -1.662 4.320 -10.858 0.000 0.284 594 K C 0.225 176.641 176.600 -0.306 0.000 1.051 594 K CA -0.558 55.578 56.287 -0.250 0.000 0.923 594 K CB 0.976 33.401 32.500 -0.125 0.000 1.046 594 K HN 0.014 nan 8.250 nan 0.000 0.474 595 V N 4.579 124.209 119.914 -0.474 0.000 2.368 595 V HA 0.104 -2.291 4.120 -10.858 0.000 0.266 595 V C -0.122 175.871 176.094 -0.167 0.000 1.045 595 V CA -0.540 61.527 62.300 -0.389 0.000 0.899 595 V CB 0.674 32.116 31.823 -0.635 0.000 1.006 595 V HN 0.848 nan 8.190 nan 0.000 0.470 596 S N 6.738 122.403 115.700 -0.059 0.000 2.451 596 S HA 0.869 -1.176 4.470 -10.858 0.000 0.301 596 S C -0.732 173.929 174.600 0.101 0.000 1.116 596 S CA -0.793 57.418 58.200 0.018 0.000 1.093 596 S CB 1.408 64.603 63.200 -0.008 0.000 1.017 596 S HN 0.658 nan 8.310 nan 0.000 0.482 597 L N 0.068 121.334 121.223 0.071 0.000 2.410 597 L HA 0.779 -1.396 4.340 -10.858 0.000 0.270 597 L C -0.537 176.291 176.870 -0.070 0.000 0.983 597 L CA -0.911 53.927 54.840 -0.003 0.000 0.822 597 L CB 1.385 43.373 42.059 -0.119 0.000 1.285 597 L HN 0.546 nan 8.230 nan 0.000 0.409 598 E N 1.534 121.696 120.200 -0.065 0.000 2.285 598 E HA 0.628 -1.537 4.350 -10.858 0.000 0.254 598 E C -1.665 174.710 176.600 -0.375 0.000 1.011 598 E CA -0.799 55.582 56.400 -0.033 0.000 0.873 598 E CB 1.767 31.608 29.700 0.235 0.000 1.229 598 E HN 0.534 nan 8.360 nan 0.000 0.422 599 Y N -0.353 120.017 120.300 0.116 0.000 2.492 599 Y HA 0.388 -1.537 4.550 -10.792 0.000 0.346 599 Y C -0.418 175.585 175.900 0.172 0.000 0.997 599 Y CA -1.058 57.112 58.100 0.116 0.000 1.025 599 Y CB 1.907 40.407 38.460 0.067 0.000 1.263 599 Y HN 0.400 nan 8.280 nan 0.000 0.454 600 R N 2.298 122.978 120.500 0.301 0.000 2.744 600 R HA 0.692 -1.483 4.340 -10.858 0.000 0.279 600 R C -3.391 173.157 176.300 0.413 0.000 0.977 600 R CA -2.212 54.044 56.100 0.259 0.000 0.906 600 R CB 2.353 32.627 30.300 -0.044 0.000 1.197 600 R HN 0.242 nan 8.270 nan 0.000 0.463 601 P HA -0.012 nan 4.420 nan 0.000 0.271 601 P C 0.180 177.635 177.300 0.259 0.000 1.218 601 P CA -0.402 62.878 63.100 0.300 0.000 0.780 601 P CB 0.914 32.680 31.700 0.111 0.000 0.901 602 V N 0.884 120.893 119.914 0.158 0.000 2.811 602 V HA 0.251 -2.144 4.120 -10.858 0.000 0.302 602 V C 0.534 176.745 176.094 0.196 0.000 1.063 602 V CA -0.521 61.860 62.300 0.136 0.000 1.088 602 V CB -0.294 31.520 31.823 -0.016 0.000 0.982 602 V HN 0.262 nan 8.190 nan 0.000 0.485 603 I N 3.498 124.202 120.570 0.225 0.000 2.337 603 I HA 0.270 -2.075 4.170 -10.858 0.000 0.291 603 I C 0.511 176.730 176.117 0.169 0.000 1.046 603 I CA 0.073 61.478 61.300 0.175 0.000 1.324 603 I CB 0.656 38.752 38.000 0.161 0.000 1.409 603 I HN 0.671 nan 8.210 nan 0.000 0.494 604 D N 4.338 124.834 120.400 0.161 0.000 2.379 604 D HA 0.001 -1.874 4.640 -10.858 0.000 0.218 604 D C 0.665 177.074 176.300 0.182 0.000 1.006 604 D CA 0.498 54.606 54.000 0.180 0.000 0.893 604 D CB 0.349 41.256 40.800 0.178 0.000 1.019 604 D HN 0.525 nan 8.370 nan 0.000 0.503 605 K N 1.675 122.160 120.400 0.143 0.000 2.401 605 K HA 0.227 -1.968 4.320 -10.858 0.000 0.278 605 K C 0.436 177.110 176.600 0.123 0.000 1.018 605 K CA -0.181 56.178 56.287 0.121 0.000 0.981 605 K CB 0.669 33.217 32.500 0.080 0.000 0.933 605 K HN -0.134 nan 8.250 nan 0.000 0.477 606 T N 0.291 114.925 114.554 0.134 0.000 2.810 606 T HA 0.168 -1.997 4.350 -10.858 0.000 0.277 606 T C 1.370 176.048 174.700 -0.036 0.000 0.973 606 T CA -0.860 61.326 62.100 0.144 0.000 0.949 606 T CB 0.429 69.449 68.868 0.253 0.000 1.075 606 T HN 0.586 nan 8.240 nan 0.000 0.537 607 L N -0.106 120.958 121.223 -0.265 0.000 2.093 607 L HA 0.140 -2.035 4.340 -10.858 0.000 0.208 607 L C 0.968 177.696 176.870 -0.237 0.000 1.085 607 L CA 1.007 55.587 54.840 -0.434 0.000 0.755 607 L CB -0.418 41.172 42.059 -0.782 0.000 0.904 607 L HN 0.651 nan 8.230 nan 0.000 0.435 608 N N -0.945 117.688 118.700 -0.112 0.000 2.549 608 N HA 0.062 -1.713 4.740 -10.858 0.000 0.290 608 N C 0.209 175.779 175.510 0.101 0.000 1.122 608 N CA -0.228 52.843 53.050 0.035 0.000 0.885 608 N CB 1.489 40.018 38.487 0.070 0.000 1.455 608 N HN -0.121 nan 8.380 nan 0.000 0.521 609 E N 3.169 123.402 120.200 0.055 0.000 2.110 609 E HA 0.013 -2.152 4.350 -10.858 0.000 0.193 609 E C 1.415 178.030 176.600 0.026 0.000 0.988 609 E CA 1.832 58.257 56.400 0.042 0.000 0.804 609 E CB 0.004 29.725 29.700 0.035 0.000 0.745 609 E HN 0.658 nan 8.360 nan 0.000 0.458 610 A N 0.220 123.059 122.820 0.032 0.000 1.898 610 A HA -0.162 -2.357 4.320 -10.858 0.000 0.216 610 A C 2.073 179.671 177.584 0.022 0.000 1.181 610 A CA 1.876 53.926 52.037 0.022 0.000 0.620 610 A CB -0.641 18.375 19.000 0.026 0.000 0.819 610 A HN 0.357 nan 8.150 nan 0.000 0.442 611 D N -2.073 118.364 120.400 0.062 0.000 2.183 611 D HA -0.002 -1.877 4.640 -10.858 0.000 0.205 611 D C 0.182 176.464 176.300 -0.030 0.000 0.962 611 D CA 0.963 55.010 54.000 0.078 0.000 0.849 611 D CB 0.184 41.106 40.800 0.203 0.000 0.978 611 D HN 0.308 nan 8.370 nan 0.000 0.488 612 C N 0.795 120.067 119.300 -0.048 0.000 2.516 612 C HA 0.810 -1.245 4.460 -10.858 0.000 0.338 612 C C -0.425 174.440 174.990 -0.207 0.000 1.132 612 C CA -0.727 58.109 59.018 -0.302 0.000 1.310 612 C CB 0.044 27.370 27.740 -0.690 0.000 1.898 612 C HN 0.334 nan 8.230 nan 0.000 0.452 613 A N 4.697 127.403 122.820 -0.189 0.000 2.388 613 A HA 0.572 -1.623 4.320 -10.858 0.000 0.257 613 A C 0.548 178.155 177.584 0.039 0.000 1.095 613 A CA 0.231 52.228 52.037 -0.066 0.000 0.791 613 A CB 0.191 19.142 19.000 -0.082 0.000 1.029 613 A HN 0.919 nan 8.150 nan 0.000 0.489 614 T N 2.062 116.686 114.554 0.117 0.000 2.834 614 T HA 0.329 -1.836 4.350 -10.858 0.000 0.298 614 T C 0.114 174.981 174.700 0.277 0.000 0.966 614 T CA 0.045 62.286 62.100 0.235 0.000 1.141 614 T CB 0.294 69.272 68.868 0.183 0.000 0.905 614 T HN 0.384 nan 8.240 nan 0.000 0.535 615 V N 8.208 128.368 119.914 0.409 0.000 2.385 615 V HA 0.263 -2.132 4.120 -10.858 0.000 0.269 615 V C -1.963 174.400 176.094 0.447 0.000 1.043 615 V CA -1.868 60.698 62.300 0.443 0.000 0.906 615 V CB 0.731 32.864 31.823 0.516 0.000 0.995 615 V HN 0.715 nan 8.190 nan 0.000 0.467 616 P HA 0.323 nan 4.420 nan 0.000 0.277 616 P C -2.697 174.299 177.300 -0.508 0.000 1.240 616 P CA -1.889 61.206 63.100 -0.008 0.000 0.798 616 P CB -0.014 31.690 31.700 0.007 0.000 0.979 617 P HA 0.195 nan 4.420 nan 0.000 0.266 617 P C -0.701 175.617 177.300 -1.637 0.000 1.195 617 P CA 0.748 62.514 63.100 -2.225 0.000 0.768 617 P CB 0.261 30.845 31.700 -1.861 0.000 0.838 618 A N 3.034 124.835 122.820 -1.700 0.000 2.552 618 A HA 0.619 -1.576 4.320 -10.858 0.000 0.288 618 A C -0.678 176.668 177.584 -0.397 0.000 1.193 618 A CA -0.856 50.760 52.037 -0.701 0.000 0.713 618 A CB 0.625 19.423 19.000 -0.337 0.000 1.305 618 A HN 0.418 nan 8.150 nan 0.000 0.424 619 I N 1.386 121.881 120.570 -0.124 0.000 2.574 619 I HA 0.115 -2.230 4.170 -10.858 0.000 0.291 619 I C 0.830 176.977 176.117 0.050 0.000 1.131 619 I CA 0.117 61.408 61.300 -0.014 0.000 1.352 619 I CB 0.004 38.013 38.000 0.014 0.000 1.431 619 I HN 0.566 nan 8.210 nan 0.000 0.543 620 R N 6.620 127.191 120.500 0.118 0.000 2.387 620 R HA 0.240 -1.935 4.340 -10.858 0.000 0.321 620 R C -0.728 175.651 176.300 0.132 0.000 1.174 620 R CA 0.107 56.324 56.100 0.195 0.000 1.002 620 R CB -0.003 30.466 30.300 0.282 0.000 1.028 620 R HN 0.720 nan 8.270 nan 0.000 0.482 621 S N 2.735 118.466 115.700 0.052 0.000 2.548 621 S HA 0.391 -1.654 4.470 -10.858 0.000 0.278 621 S C -1.263 173.313 174.600 -0.041 0.000 1.150 621 S CA -0.996 57.251 58.200 0.078 0.000 0.907 621 S CB 0.438 63.684 63.200 0.077 0.000 1.108 621 S HN 0.389 nan 8.310 nan 0.000 0.459 622 Y N 0.000 120.345 120.300 0.075 0.000 2.660 622 Y HA 0.000 -1.967 4.550 -10.861 0.000 0.201 622 Y CA 0.000 58.136 58.100 0.060 0.000 1.940 622 Y CB 0.000 38.484 38.460 0.041 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758