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 1qo8_1_A DATA FIRST_RESID 2 DATA SEQUENCE TPDMGSFHAD MGSCQSCHAK PIKVTDSETH ENAQCKSCHG EYAELANDKL DATA SEQUENCE QFDPHNSHLG DINCTSCHKG HEEPKFYCNE CHSFDIKPMP FSDAKKKKSW DATA SEQUENCE DDGWDQDKIQ KAIAAGPSET TQVLVVGAGS AGFNASLAAK KAGANVILVD DATA SEQUENCE KAPFSGGNSM ISAGGMNAVG TKQQTAHGVE DKVEWFIEDA MKGGRQQNDI DATA SEQUENCE KLVTILAEQS ADGVQWLESL GANLDDLKRS GGARVDRTHR PHGGKSSGPE DATA SEQUENCE IIDTLRKAAK EQGIDTRLNS RVVKLVVNDD HSVVGAVVHG KHTGYYMIGA DATA SEQUENCE KSVVLATGGY GMNKEMIAYY RPTMKDMTSS NNITATGDGV LMAKEIGASM DATA SEQUENCE TDIDWVQAHP TVGKDSRILI SETVRGVGAV MVNKDGNRFI SELTTRDKAS DATA SEQUENCE DAILKQPGQF AWIIFDNQLY KKAKMVRGYD HLEMLYKGDT VEQLAKSTGM DATA SEQUENCE KVADLAKTVS DYNGYVASGK DTAFGRADMP LNMTQSPYYA VKVAPGIHHT DATA SEQUENCE MGGVAINTTA SVLDLQSKPI DGLFAAGEVT GGVHGYNRLG GNAIADTVVF DATA SEQUENCE GRIAGDNAAK HALD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.774 174.700 0.123 0.000 1.109 2 T CA 0.000 62.157 62.100 0.096 0.000 1.349 2 T CB 0.000 68.920 68.868 0.086 0.000 0.612 3 P HA 0.691 nan 4.420 nan 0.000 0.277 3 P C -0.962 176.457 177.300 0.199 0.000 1.276 3 P CA -0.218 62.995 63.100 0.189 0.000 0.788 3 P CB 0.416 32.261 31.700 0.242 0.000 1.114 4 D N -1.971 118.547 120.400 0.197 0.000 2.714 4 D HA 0.206 4.846 4.640 -0.000 0.000 0.278 4 D C 0.791 177.078 176.300 -0.023 0.000 1.102 4 D CA -0.828 53.248 54.000 0.126 0.000 1.108 4 D CB 0.321 41.197 40.800 0.126 0.000 1.444 4 D HN 0.275 nan 8.370 nan 0.000 0.568 5 M N 0.237 119.583 119.600 -0.424 0.000 2.067 5 M HA -0.012 4.468 4.480 -0.000 0.000 0.260 5 M C 1.939 178.124 176.300 -0.191 0.000 1.069 5 M CA 2.560 57.297 55.300 -0.938 0.000 1.117 5 M CB -0.746 31.220 32.600 -1.057 0.000 1.334 5 M HN 0.621 nan 8.290 nan 0.000 0.407 6 G N -0.324 108.332 108.800 -0.241 0.000 2.606 6 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.221 6 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.221 6 G C 1.511 176.522 174.900 0.185 0.000 1.152 6 G CA 1.778 46.839 45.100 -0.063 0.000 0.765 6 G HN 0.634 nan 8.290 nan 0.000 0.595 7 S N -0.390 115.434 115.700 0.208 0.000 2.406 7 S HA 0.042 4.512 4.470 -0.000 0.000 0.224 7 S C 2.129 176.858 174.600 0.214 0.000 1.030 7 S CA 1.053 59.376 58.200 0.206 0.000 0.958 7 S CB -0.462 62.854 63.200 0.192 0.000 0.811 7 S HN 0.352 nan 8.310 nan 0.000 0.489 8 F N 2.671 122.689 119.950 0.113 0.000 2.091 8 F HA -0.186 4.340 4.527 -0.000 0.000 0.299 8 F C 2.207 178.011 175.800 0.008 0.000 1.103 8 F CA 2.336 60.400 58.000 0.107 0.000 1.228 8 F CB -0.592 38.569 39.000 0.268 0.000 0.984 8 F HN 0.281 nan 8.300 nan 0.000 0.477 9 H N -0.459 118.713 119.070 0.170 0.000 2.333 9 H HA 0.085 4.641 4.556 -0.000 0.000 0.302 9 H C 2.350 177.668 175.328 -0.017 0.000 1.075 9 H CA 1.329 57.406 56.048 0.049 0.000 1.348 9 H CB -0.875 28.924 29.762 0.061 0.000 1.393 9 H HN 0.325 nan 8.280 nan 0.000 0.509 10 A N 0.966 123.873 122.820 0.145 0.000 1.908 10 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 10 A C 1.770 179.368 177.584 0.023 0.000 1.181 10 A CA 2.052 54.141 52.037 0.087 0.000 0.627 10 A CB -0.467 18.595 19.000 0.104 0.000 0.818 10 A HN 0.354 nan 8.150 nan 0.000 0.445 11 D N -0.455 119.938 120.400 -0.011 0.000 2.182 11 D HA -0.159 4.480 4.640 -0.000 0.000 0.201 11 D C 1.917 178.153 176.300 -0.107 0.000 0.986 11 D CA 1.513 55.479 54.000 -0.058 0.000 0.847 11 D CB -0.304 40.446 40.800 -0.083 0.000 0.942 11 D HN 0.561 nan 8.370 nan 0.000 0.467 12 M N -0.865 118.639 119.600 -0.160 0.000 2.394 12 M HA 0.139 4.618 4.480 -0.000 0.000 0.266 12 M C 1.675 177.928 176.300 -0.078 0.000 1.098 12 M CA 1.028 56.232 55.300 -0.161 0.000 1.149 12 M CB 0.457 32.910 32.600 -0.246 0.000 1.369 12 M HN 0.010 nan 8.290 nan 0.000 0.450 13 G N -0.596 108.182 108.800 -0.036 0.000 2.710 13 G HA2 0.472 4.432 3.960 -0.000 0.000 0.198 13 G HA3 0.472 4.432 3.960 -0.000 0.000 0.198 13 G C -0.287 174.620 174.900 0.011 0.000 1.797 13 G CA 0.438 45.534 45.100 -0.006 0.000 0.759 13 G HN 0.416 nan 8.290 nan 0.000 0.808 14 S N -2.542 113.180 115.700 0.036 0.000 2.703 14 S HA 0.240 4.709 4.470 -0.000 0.000 0.273 14 S C 0.775 175.422 174.600 0.080 0.000 1.178 14 S CA 0.255 58.484 58.200 0.048 0.000 0.838 14 S CB 0.748 63.971 63.200 0.038 0.000 1.178 14 S HN 0.645 nan 8.310 nan 0.000 0.494 15 C N 0.936 120.294 119.300 0.097 0.000 2.401 15 C HA -0.080 4.380 4.460 -0.000 0.000 0.276 15 C C 2.664 177.749 174.990 0.158 0.000 1.233 15 C CA 1.487 60.598 59.018 0.155 0.000 1.753 15 C CB -1.671 26.156 27.740 0.144 0.000 2.029 15 C HN 0.907 nan 8.230 nan 0.000 0.478 16 Q N 1.037 120.901 119.800 0.108 0.000 2.437 16 Q HA -0.051 4.289 4.340 -0.000 0.000 0.210 16 Q C 2.263 178.312 176.000 0.081 0.000 0.972 16 Q CA 0.844 56.707 55.803 0.101 0.000 0.903 16 Q CB -0.360 28.418 28.738 0.067 0.000 0.967 16 Q HN 0.684 nan 8.270 nan 0.000 0.486 17 S N -0.868 114.866 115.700 0.057 0.000 2.374 17 S HA -0.189 4.281 4.470 -0.000 0.000 0.227 17 S C 1.607 176.196 174.600 -0.019 0.000 1.037 17 S CA 1.494 59.710 58.200 0.027 0.000 1.024 17 S CB -0.231 62.994 63.200 0.043 0.000 0.861 17 S HN 0.579 nan 8.310 nan 0.000 0.456 18 C N -0.175 119.082 119.300 -0.071 0.000 3.019 18 C HA 0.367 4.827 4.460 -0.000 0.000 0.295 18 C C 0.749 175.707 174.990 -0.054 0.000 1.256 18 C CA -0.735 58.182 59.018 -0.168 0.000 1.706 18 C CB -0.749 26.772 27.740 -0.365 0.000 2.153 18 C HN 0.498 nan 8.230 nan 0.000 0.618 19 H N 0.576 119.721 119.070 0.126 0.000 2.573 19 H HA 0.614 5.170 4.556 -0.000 0.000 0.351 19 H C 0.196 175.529 175.328 0.008 0.000 1.163 19 H CA 0.012 56.120 56.048 0.100 0.000 1.205 19 H CB 1.374 31.151 29.762 0.026 0.000 1.605 19 H HN 0.272 nan 8.280 nan 0.000 0.525 20 A N 1.959 124.720 122.820 -0.099 0.000 2.366 20 A HA 0.125 4.445 4.320 -0.000 0.000 0.250 20 A C 0.365 177.898 177.584 -0.084 0.000 1.099 20 A CA -0.119 51.763 52.037 -0.258 0.000 0.794 20 A CB 0.209 18.979 19.000 -0.384 0.000 1.056 20 A HN 0.650 nan 8.150 nan 0.000 0.499 21 K N 1.379 121.733 120.400 -0.076 0.000 2.264 21 K HA 0.389 4.708 4.320 -0.000 0.000 0.277 21 K C -2.201 174.365 176.600 -0.057 0.000 1.067 21 K CA -1.498 54.762 56.287 -0.046 0.000 0.900 21 K CB 0.198 32.681 32.500 -0.028 0.000 1.124 21 K HN 0.588 nan 8.250 nan 0.000 0.469 22 P HA -0.206 nan 4.420 nan 0.000 0.266 22 P C -0.536 176.713 177.300 -0.084 0.000 1.126 22 P CA 0.552 63.615 63.100 -0.061 0.000 0.751 22 P CB 0.131 31.797 31.700 -0.057 0.000 0.719 23 I N 2.696 123.203 120.570 -0.106 0.000 2.671 23 I HA -0.029 4.141 4.170 -0.000 0.000 0.285 23 I C 1.244 177.262 176.117 -0.164 0.000 1.148 23 I CA 0.625 61.818 61.300 -0.178 0.000 1.386 23 I CB -0.149 37.675 38.000 -0.295 0.000 1.406 23 I HN 0.335 nan 8.210 nan 0.000 0.540 24 K N 6.926 127.240 120.400 -0.143 0.000 2.756 24 K HA 0.337 4.657 4.320 -0.000 0.000 0.218 24 K C -1.423 175.108 176.600 -0.115 0.000 1.057 24 K CA -0.484 55.733 56.287 -0.118 0.000 1.056 24 K CB 1.113 33.557 32.500 -0.093 0.000 1.235 24 K HN 0.334 nan 8.250 nan 0.000 0.547 25 V N 3.598 123.412 119.914 -0.168 0.000 2.455 25 V HA 0.096 4.216 4.120 -0.000 0.000 0.273 25 V C 0.862 176.856 176.094 -0.168 0.000 1.045 25 V CA -0.448 61.727 62.300 -0.208 0.000 0.976 25 V CB 0.771 32.325 31.823 -0.449 0.000 0.993 25 V HN 0.806 nan 8.190 nan 0.000 0.475 26 T N 0.807 115.325 114.554 -0.062 0.000 2.856 26 T HA 0.075 4.425 4.350 -0.000 0.000 0.306 26 T C 0.917 175.670 174.700 0.089 0.000 1.062 26 T CA -0.501 61.598 62.100 -0.002 0.000 1.083 26 T CB 0.739 69.611 68.868 0.007 0.000 0.984 26 T HN 0.612 nan 8.240 nan 0.000 0.542 27 D N 1.317 121.759 120.400 0.070 0.000 2.133 27 D HA -0.100 4.540 4.640 -0.000 0.000 0.195 27 D C 2.103 178.413 176.300 0.017 0.000 0.997 27 D CA 1.609 55.622 54.000 0.021 0.000 0.840 27 D CB -0.423 40.337 40.800 -0.067 0.000 0.947 27 D HN 0.653 nan 8.370 nan 0.000 0.452 28 S N 0.080 115.798 115.700 0.029 0.000 2.607 28 S HA -0.031 4.439 4.470 -0.000 0.000 0.224 28 S C 0.326 174.961 174.600 0.058 0.000 0.969 28 S CA 0.027 58.249 58.200 0.037 0.000 0.927 28 S CB -0.083 63.144 63.200 0.044 0.000 0.772 28 S HN 0.307 nan 8.310 nan 0.000 0.533 29 E N 0.331 120.574 120.200 0.072 0.000 2.403 29 E HA -0.229 4.120 4.350 -0.000 0.000 0.241 29 E C 0.569 177.198 176.600 0.047 0.000 1.201 29 E CA 0.707 57.141 56.400 0.056 0.000 0.721 29 E CB -2.215 27.530 29.700 0.075 0.000 1.245 29 E HN 0.451 nan 8.360 nan 0.000 0.392 30 T N -0.865 113.723 114.554 0.057 0.000 2.643 30 T HA -0.235 4.115 4.350 -0.000 0.000 0.264 30 T C 1.525 176.247 174.700 0.037 0.000 1.045 30 T CA 1.715 63.846 62.100 0.051 0.000 1.155 30 T CB -0.336 68.569 68.868 0.061 0.000 0.863 30 T HN 0.501 nan 8.240 nan 0.000 0.420 31 H N 1.373 120.437 119.070 -0.010 0.000 2.289 31 H HA -0.109 4.447 4.556 -0.000 0.000 0.296 31 H C 2.216 177.519 175.328 -0.042 0.000 1.091 31 H CA 2.073 58.109 56.048 -0.019 0.000 1.274 31 H CB -0.146 29.610 29.762 -0.011 0.000 1.364 31 H HN 0.316 nan 8.280 nan 0.000 0.490 32 E N -0.003 120.188 120.200 -0.014 0.000 2.085 32 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 32 E C 2.056 178.566 176.600 -0.151 0.000 0.994 32 E CA 1.270 57.596 56.400 -0.123 0.000 0.801 32 E CB -0.125 29.503 29.700 -0.120 0.000 0.743 32 E HN 0.526 nan 8.360 nan 0.000 0.453 33 N N -0.089 118.556 118.700 -0.092 0.000 2.300 33 N HA -0.023 4.716 4.740 -0.000 0.000 0.179 33 N C 1.631 177.080 175.510 -0.100 0.000 1.016 33 N CA 0.960 53.966 53.050 -0.073 0.000 0.876 33 N CB -0.011 38.467 38.487 -0.015 0.000 0.979 33 N HN 0.151 nan 8.380 nan 0.000 0.432 34 A N 1.423 124.167 122.820 -0.127 0.000 1.978 34 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 34 A C 2.179 179.656 177.584 -0.178 0.000 1.170 34 A CA 1.175 53.125 52.037 -0.145 0.000 0.636 34 A CB -0.210 18.700 19.000 -0.150 0.000 0.810 34 A HN 0.194 nan 8.150 nan 0.000 0.448 35 Q N -0.367 119.291 119.800 -0.236 0.000 2.049 35 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 35 Q C 2.472 178.394 176.000 -0.129 0.000 0.971 35 Q CA 1.587 57.270 55.803 -0.201 0.000 0.833 35 Q CB -1.142 27.451 28.738 -0.241 0.000 0.896 35 Q HN 0.782 nan 8.270 nan 0.000 0.434 36 C N 1.458 120.689 119.300 -0.115 0.000 2.363 36 C HA -0.203 4.257 4.460 -0.000 0.000 0.274 36 C C 2.593 177.564 174.990 -0.033 0.000 1.183 36 C CA 1.165 60.155 59.018 -0.045 0.000 1.771 36 C CB -1.040 26.652 27.740 -0.081 0.000 2.059 36 C HN 0.503 nan 8.230 nan 0.000 0.455 37 K N 0.858 121.206 120.400 -0.085 0.000 2.103 37 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 37 K C 2.352 178.908 176.600 -0.073 0.000 1.052 37 K CA 1.351 57.582 56.287 -0.094 0.000 0.945 37 K CB -0.239 32.192 32.500 -0.114 0.000 0.722 37 K HN 0.412 nan 8.250 nan 0.000 0.443 38 S N 1.008 116.659 115.700 -0.082 0.000 2.392 38 S HA -0.227 4.243 4.470 -0.000 0.000 0.225 38 S C 2.217 176.765 174.600 -0.087 0.000 1.041 38 S CA 1.615 59.767 58.200 -0.080 0.000 1.100 38 S CB -0.507 62.641 63.200 -0.088 0.000 1.029 38 S HN 0.412 nan 8.310 nan 0.000 0.424 39 C N 0.377 119.609 119.300 -0.113 0.000 2.440 39 C HA 0.007 4.467 4.460 -0.000 0.000 0.278 39 C C 2.336 177.185 174.990 -0.235 0.000 1.295 39 C CA 0.283 59.189 59.018 -0.187 0.000 1.738 39 C CB -1.359 26.231 27.740 -0.249 0.000 1.987 39 C HN 0.607 nan 8.230 nan 0.000 0.492 40 H N -0.224 118.799 119.070 -0.078 0.000 2.648 40 H HA 0.300 4.856 4.556 -0.000 0.000 0.265 40 H C 1.291 176.553 175.328 -0.110 0.000 0.961 40 H CA 1.226 57.221 56.048 -0.088 0.000 1.185 40 H CB 0.323 30.014 29.762 -0.118 0.000 1.449 40 H HN 0.562 nan 8.280 nan 0.000 0.523 41 G N 1.439 110.233 108.800 -0.010 0.000 2.629 41 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 41 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 41 G C -0.344 174.489 174.900 -0.112 0.000 1.232 41 G CA -0.718 44.352 45.100 -0.050 0.000 0.803 41 G HN 0.128 nan 8.290 nan 0.000 0.638 42 E N -0.172 119.965 120.200 -0.105 0.000 2.620 42 E HA 0.333 4.682 4.350 -0.000 0.000 0.255 42 E C 0.988 177.497 176.600 -0.152 0.000 1.346 42 E CA -0.349 55.958 56.400 -0.155 0.000 1.013 42 E CB 0.388 30.057 29.700 -0.051 0.000 1.131 42 E HN 0.488 nan 8.360 nan 0.000 0.608 43 Y N 0.353 120.651 120.300 -0.003 0.000 2.181 43 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 43 Y C 2.402 178.313 175.900 0.018 0.000 1.146 43 Y CA 1.564 59.674 58.100 0.016 0.000 1.164 43 Y CB -0.825 37.659 38.460 0.040 0.000 0.982 43 Y HN 0.600 nan 8.280 nan 0.000 0.515 44 A N -0.071 122.839 122.820 0.150 0.000 1.940 44 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 44 A C 2.169 179.786 177.584 0.055 0.000 1.176 44 A CA 2.099 54.188 52.037 0.087 0.000 0.631 44 A CB -0.643 18.392 19.000 0.059 0.000 0.814 44 A HN 0.571 nan 8.150 nan 0.000 0.446 45 E N -0.493 119.724 120.200 0.029 0.000 2.170 45 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 45 E C 1.750 178.352 176.600 0.004 0.000 0.981 45 E CA 0.374 56.779 56.400 0.009 0.000 0.830 45 E CB -0.126 29.568 29.700 -0.010 0.000 0.775 45 E HN 0.598 nan 8.360 nan 0.000 0.470 46 L N 1.047 122.260 121.223 -0.017 0.000 2.313 46 L HA 0.114 4.454 4.340 -0.000 0.000 0.214 46 L C 1.145 178.060 176.870 0.075 0.000 1.119 46 L CA 0.031 54.834 54.840 -0.061 0.000 0.809 46 L CB -0.247 41.626 42.059 -0.310 0.000 0.933 46 L HN 0.077 nan 8.230 nan 0.000 0.449 47 A N 0.675 123.570 122.820 0.126 0.000 2.498 47 A HA 0.087 4.407 4.320 -0.000 0.000 0.239 47 A C 0.420 178.060 177.584 0.093 0.000 1.068 47 A CA -0.014 52.113 52.037 0.149 0.000 0.766 47 A CB 0.181 19.250 19.000 0.116 0.000 1.003 47 A HN 0.291 nan 8.150 nan 0.000 0.497 48 N N 0.030 118.783 118.700 0.088 0.000 2.718 48 N HA 0.287 5.026 4.740 -0.000 0.000 0.298 48 N C 0.061 175.579 175.510 0.013 0.000 1.369 48 N CA 0.645 53.721 53.050 0.043 0.000 0.839 48 N CB 1.005 39.519 38.487 0.045 0.000 1.108 48 N HN 0.721 nan 8.380 nan 0.000 0.489 49 D N -2.253 118.140 120.400 -0.013 0.000 1.675 49 D HA -0.043 4.597 4.640 -0.000 0.000 0.756 49 D C -0.558 175.710 176.300 -0.052 0.000 0.603 49 D CA 0.161 54.143 54.000 -0.030 0.000 1.278 49 D CB -0.522 40.265 40.800 -0.020 0.000 1.227 49 D HN 0.426 nan 8.370 nan 0.000 0.412 50 K N 0.659 121.031 120.400 -0.046 0.000 2.968 50 K HA 0.441 4.761 4.320 -0.000 0.000 0.249 50 K C -0.364 176.186 176.600 -0.083 0.000 1.062 50 K CA -0.104 56.147 56.287 -0.059 0.000 1.215 50 K CB 0.327 32.803 32.500 -0.040 0.000 1.097 50 K HN 0.162 nan 8.250 nan 0.000 0.462 51 L N -0.239 120.916 121.223 -0.112 0.000 2.505 51 L HA 0.105 4.445 4.340 -0.000 0.000 0.266 51 L C 0.924 177.647 176.870 -0.246 0.000 0.954 51 L CA -0.351 54.403 54.840 -0.142 0.000 0.852 51 L CB 1.979 43.987 42.059 -0.085 0.000 1.282 51 L HN -0.028 nan 8.230 nan 0.000 0.403 52 Q N 2.567 122.141 119.800 -0.377 0.000 2.045 52 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 52 Q C 0.529 175.995 176.000 -0.891 0.000 0.991 52 Q CA 2.845 58.217 55.803 -0.718 0.000 0.851 52 Q CB 0.016 28.165 28.738 -0.981 0.000 0.911 52 Q HN 0.758 nan 8.270 nan 0.000 0.418 53 F N -0.706 119.090 119.950 -0.257 0.000 2.419 53 F HA 0.179 4.706 4.527 -0.000 0.000 0.283 53 F C 0.114 175.768 175.800 -0.243 0.000 1.044 53 F CA 0.256 58.028 58.000 -0.379 0.000 1.376 53 F CB 0.351 38.933 39.000 -0.697 0.000 1.131 53 F HN -0.064 nan 8.300 nan 0.000 0.585 54 D N 0.013 120.393 120.400 -0.032 0.000 4.465 54 D HA -0.102 4.538 4.640 -0.000 0.000 0.244 54 D C -2.094 174.164 176.300 -0.070 0.000 1.062 54 D CA 0.035 54.007 54.000 -0.048 0.000 1.227 54 D CB -0.005 40.780 40.800 -0.025 0.000 0.829 54 D HN 0.099 nan 8.370 nan 0.000 0.402 55 P HA -0.085 nan 4.420 nan 0.000 0.221 55 P C 0.668 177.822 177.300 -0.244 0.000 1.150 55 P CA 1.307 64.302 63.100 -0.175 0.000 0.800 55 P CB 0.077 31.677 31.700 -0.167 0.000 0.787 56 H N -2.164 116.977 119.070 0.117 0.000 2.505 56 H HA 0.281 4.837 4.556 -0.000 0.000 0.289 56 H C 0.094 175.449 175.328 0.046 0.000 1.052 56 H CA -0.238 55.930 56.048 0.201 0.000 1.156 56 H CB -0.154 29.788 29.762 0.299 0.000 1.507 56 H HN 0.015 nan 8.280 nan 0.000 0.548 57 N N 1.040 119.738 118.700 -0.004 0.000 2.793 57 N HA 0.056 4.796 4.740 -0.000 0.000 0.251 57 N C -1.359 174.095 175.510 -0.092 0.000 1.308 57 N CA -0.301 52.716 53.050 -0.054 0.000 0.781 57 N CB 0.842 39.343 38.487 0.023 0.000 1.439 57 N HN 0.189 nan 8.380 nan 0.000 0.562 58 S N 1.214 116.809 115.700 -0.175 0.000 2.704 58 S HA 0.361 4.831 4.470 -0.000 0.000 0.296 58 S C 1.079 175.582 174.600 -0.162 0.000 1.138 58 S CA -0.429 57.661 58.200 -0.183 0.000 0.875 58 S CB 0.688 63.718 63.200 -0.283 0.000 1.151 58 S HN 0.580 nan 8.310 nan 0.000 0.500 59 H N 0.450 119.501 119.070 -0.032 0.000 2.491 59 H HA 0.218 4.774 4.556 -0.000 0.000 0.290 59 H C 1.487 176.779 175.328 -0.060 0.000 1.050 59 H CA 1.342 57.377 56.048 -0.022 0.000 1.309 59 H CB -0.726 29.057 29.762 0.035 0.000 1.392 59 H HN 0.449 nan 8.280 nan 0.000 0.554 60 L N 0.043 121.051 121.223 -0.359 0.000 2.129 60 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 60 L C 1.705 178.408 176.870 -0.279 0.000 1.087 60 L CA 0.945 55.582 54.840 -0.338 0.000 0.757 60 L CB -0.964 40.726 42.059 -0.615 0.000 0.896 60 L HN 0.799 nan 8.230 nan 0.000 0.434 61 G N -0.050 108.590 108.800 -0.266 0.000 2.527 61 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.227 61 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.227 61 G C -0.530 174.210 174.900 -0.266 0.000 1.291 61 G CA -0.009 44.978 45.100 -0.188 0.000 0.904 61 G HN 0.230 nan 8.290 nan 0.000 0.577 62 D N 1.495 121.821 120.400 -0.124 0.000 2.483 62 D HA 0.466 5.106 4.640 -0.000 0.000 0.220 62 D C 1.046 177.373 176.300 0.045 0.000 1.173 62 D CA 0.088 54.078 54.000 -0.016 0.000 0.964 62 D CB -0.770 40.073 40.800 0.072 0.000 1.046 62 D HN 0.749 nan 8.370 nan 0.000 0.517 63 I N -0.912 119.662 120.570 0.006 0.000 3.076 63 I HA 0.519 4.688 4.170 -0.000 0.000 0.313 63 I C 0.197 176.427 176.117 0.189 0.000 1.053 63 I CA -1.199 60.129 61.300 0.047 0.000 1.048 63 I CB 0.951 38.819 38.000 -0.221 0.000 1.264 63 I HN -0.169 nan 8.210 nan 0.000 0.498 64 N N 1.675 120.473 118.700 0.162 0.000 2.412 64 N HA 0.023 4.762 4.740 -0.000 0.000 0.258 64 N C 1.023 176.640 175.510 0.179 0.000 1.236 64 N CA -0.134 53.006 53.050 0.150 0.000 0.882 64 N CB 0.620 39.182 38.487 0.125 0.000 1.066 64 N HN 0.765 nan 8.380 nan 0.000 0.465 65 C N 0.468 119.860 119.300 0.153 0.000 2.385 65 C HA -0.200 4.259 4.460 -0.000 0.000 0.275 65 C C 2.339 177.450 174.990 0.202 0.000 1.199 65 C CA 1.496 60.626 59.018 0.187 0.000 1.782 65 C CB -1.677 26.110 27.740 0.079 0.000 2.068 65 C HN 0.847 nan 8.230 nan 0.000 0.471 66 T N -0.931 113.707 114.554 0.140 0.000 3.284 66 T HA 0.009 4.358 4.350 -0.000 0.000 0.252 66 T C 1.326 176.118 174.700 0.153 0.000 1.144 66 T CA 1.056 63.239 62.100 0.138 0.000 1.021 66 T CB -0.427 68.495 68.868 0.090 0.000 0.984 66 T HN 0.534 nan 8.240 nan 0.000 0.545 67 S N 0.547 116.341 115.700 0.157 0.000 2.374 67 S HA -0.123 4.347 4.470 -0.000 0.000 0.227 67 S C 2.035 176.758 174.600 0.205 0.000 1.037 67 S CA 1.449 59.741 58.200 0.154 0.000 1.024 67 S CB -0.498 62.766 63.200 0.106 0.000 0.861 67 S HN 0.810 nan 8.310 nan 0.000 0.456 68 C N -0.896 118.503 119.300 0.166 0.000 2.370 68 C HA 0.287 4.747 4.460 -0.000 0.000 0.348 68 C C 0.937 175.962 174.990 0.059 0.000 1.477 68 C CA -0.697 58.397 59.018 0.126 0.000 2.302 68 C CB -0.877 26.875 27.740 0.021 0.000 2.220 68 C HN 0.517 nan 8.230 nan 0.000 0.625 69 H N 2.576 121.737 119.070 0.152 0.000 2.886 69 H HA 0.241 4.797 4.556 -0.000 0.000 0.329 69 H C -0.173 175.187 175.328 0.053 0.000 1.044 69 H CA 0.878 56.989 56.048 0.105 0.000 1.456 69 H CB 0.487 30.285 29.762 0.060 0.000 1.464 69 H HN 0.273 nan 8.280 nan 0.000 0.573 70 K N 1.577 122.061 120.400 0.140 0.000 2.203 70 K HA 0.210 4.530 4.320 -0.000 0.000 0.251 70 K C 1.310 177.855 176.600 -0.092 0.000 0.944 70 K CA -0.564 55.756 56.287 0.055 0.000 0.829 70 K CB 2.016 34.572 32.500 0.094 0.000 1.125 70 K HN 0.773 nan 8.250 nan 0.000 0.430 71 G N 1.280 109.975 108.800 -0.175 0.000 2.459 71 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 71 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 71 G C 0.591 175.072 174.900 -0.698 0.000 1.183 71 G CA 0.998 45.785 45.100 -0.521 0.000 0.776 71 G HN 0.615 nan 8.290 nan 0.000 0.552 72 H N -0.254 118.850 119.070 0.057 0.000 2.777 72 H HA 0.264 4.819 4.556 -0.000 0.000 0.244 72 H C -0.067 175.312 175.328 0.086 0.000 1.185 72 H CA 0.307 56.398 56.048 0.072 0.000 0.945 72 H CB 0.452 30.267 29.762 0.088 0.000 1.994 72 H HN 0.701 nan 8.280 nan 0.000 0.638 73 E N -0.280 119.993 120.200 0.121 0.000 2.429 73 E HA 0.154 4.504 4.350 -0.000 0.000 0.280 73 E C -0.860 175.812 176.600 0.119 0.000 1.068 73 E CA -0.914 55.563 56.400 0.130 0.000 0.837 73 E CB 1.578 31.363 29.700 0.142 0.000 1.357 73 E HN 0.059 nan 8.360 nan 0.000 0.455 74 E N 2.050 122.321 120.200 0.119 0.000 2.694 74 E HA 0.014 4.364 4.350 -0.000 0.000 0.250 74 E C -1.735 174.941 176.600 0.126 0.000 0.963 74 E CA -1.132 55.339 56.400 0.118 0.000 0.949 74 E CB 0.284 30.044 29.700 0.100 0.000 0.911 74 E HN 0.211 nan 8.360 nan 0.000 0.500 75 P HA -0.028 nan 4.420 nan 0.000 0.268 75 P C -1.192 176.188 177.300 0.134 0.000 1.208 75 P CA 0.379 63.561 63.100 0.136 0.000 0.777 75 P CB 0.544 32.334 31.700 0.149 0.000 0.875 76 K N 1.902 122.394 120.400 0.153 0.000 2.293 76 K HA 0.285 4.605 4.320 -0.000 0.000 0.267 76 K C -0.507 176.242 176.600 0.248 0.000 1.010 76 K CA -0.624 55.774 56.287 0.184 0.000 0.875 76 K CB 0.544 33.180 32.500 0.227 0.000 1.106 76 K HN 0.338 nan 8.250 nan 0.000 0.450 77 F N 4.102 124.084 119.950 0.054 0.000 2.464 77 F HA 0.057 4.584 4.527 -0.001 0.000 0.353 77 F C 0.559 176.427 175.800 0.112 0.000 1.191 77 F CA -0.687 57.351 58.000 0.065 0.000 1.147 77 F CB -0.177 38.851 39.000 0.048 0.000 1.294 77 F HN 0.571 nan 8.300 nan 0.000 0.583 78 Y N 3.899 124.140 120.300 -0.098 0.000 2.373 78 Y HA -0.158 4.392 4.550 -0.000 0.000 0.293 78 Y C 2.350 178.120 175.900 -0.217 0.000 1.129 78 Y CA 1.374 59.435 58.100 -0.065 0.000 1.226 78 Y CB -0.150 38.359 38.460 0.082 0.000 1.000 78 Y HN 0.654 nan 8.280 nan 0.000 0.549 79 C N 0.332 119.413 119.300 -0.365 0.000 2.369 79 C HA -0.336 4.124 4.460 -0.000 0.000 0.273 79 C C 2.110 176.911 174.990 -0.314 0.000 1.172 79 C CA 1.876 60.666 59.018 -0.380 0.000 1.791 79 C CB -1.641 25.633 27.740 -0.777 0.000 2.086 79 C HN 0.582 nan 8.230 nan 0.000 0.459 80 N N 0.355 118.796 118.700 -0.431 0.000 2.567 80 N HA -0.062 4.678 4.740 -0.000 0.000 0.195 80 N C 1.301 176.682 175.510 -0.215 0.000 1.242 80 N CA -0.083 52.830 53.050 -0.228 0.000 0.884 80 N CB -0.071 38.409 38.487 -0.011 0.000 1.007 80 N HN 0.599 nan 8.380 nan 0.000 0.450 81 E N -0.231 119.801 120.200 -0.280 0.000 2.274 81 E HA -0.059 4.290 4.350 -0.000 0.000 0.194 81 E C 1.337 177.805 176.600 -0.219 0.000 0.996 81 E CA 0.750 56.977 56.400 -0.288 0.000 0.840 81 E CB 0.202 29.640 29.700 -0.436 0.000 0.772 81 E HN 0.499 nan 8.360 nan 0.000 0.491 82 C N -1.058 118.097 119.300 -0.242 0.000 2.878 82 C HA 0.224 4.684 4.460 -0.000 0.000 0.490 82 C C 1.300 176.035 174.990 -0.425 0.000 1.339 82 C CA -0.461 58.369 59.018 -0.314 0.000 2.353 82 C CB -0.078 27.445 27.740 -0.361 0.000 3.174 82 C HN 0.307 nan 8.230 nan 0.000 0.569 83 H N 0.186 119.037 119.070 -0.363 0.000 2.580 83 H HA 0.362 4.918 4.556 -0.000 0.000 0.324 83 H C -0.141 174.876 175.328 -0.518 0.000 1.436 83 H CA 0.140 55.835 56.048 -0.588 0.000 1.464 83 H CB 1.032 30.044 29.762 -1.250 0.000 1.752 83 H HN 0.083 nan 8.280 nan 0.000 0.726 84 S N 0.869 116.322 115.700 -0.412 0.000 2.665 84 S HA 0.223 4.693 4.470 -0.000 0.000 0.235 84 S C -0.868 173.646 174.600 -0.143 0.000 1.084 84 S CA -0.515 57.561 58.200 -0.207 0.000 1.151 84 S CB -0.846 62.294 63.200 -0.100 0.000 1.151 84 S HN 0.267 nan 8.310 nan 0.000 0.461 85 F N 2.143 122.077 119.950 -0.027 0.000 2.595 85 F HA 0.219 4.746 4.527 -0.000 0.000 0.359 85 F C 0.961 176.812 175.800 0.085 0.000 1.147 85 F CA -0.651 57.302 58.000 -0.078 0.000 1.341 85 F CB 0.208 39.033 39.000 -0.292 0.000 1.104 85 F HN 0.221 nan 8.300 nan 0.000 0.603 86 D N 2.600 123.180 120.400 0.300 0.000 2.329 86 D HA 0.531 5.171 4.640 -0.000 0.000 0.232 86 D C -1.035 175.347 176.300 0.136 0.000 1.088 86 D CA -0.095 54.008 54.000 0.172 0.000 0.835 86 D CB 0.508 41.386 40.800 0.131 0.000 1.078 86 D HN 0.441 nan 8.370 nan 0.000 0.495 87 I N 2.323 122.913 120.570 0.034 0.000 2.865 87 I HA 0.297 4.466 4.170 -0.000 0.000 0.302 87 I C -0.402 175.657 176.117 -0.097 0.000 1.140 87 I CA -1.069 60.184 61.300 -0.078 0.000 1.021 87 I CB 1.788 39.604 38.000 -0.308 0.000 1.233 87 I HN 0.336 nan 8.210 nan 0.000 0.427 88 K N 5.183 125.526 120.400 -0.095 0.000 2.295 88 K HA 0.431 4.751 4.320 -0.000 0.000 0.270 88 K C -2.545 173.990 176.600 -0.108 0.000 1.011 88 K CA -1.316 54.925 56.287 -0.077 0.000 0.953 88 K CB -0.240 32.224 32.500 -0.059 0.000 0.956 88 K HN 0.151 nan 8.250 nan 0.000 0.477 89 P HA -0.135 nan 4.420 nan 0.000 0.259 89 P C -0.298 176.958 177.300 -0.072 0.000 1.163 89 P CA 0.604 63.667 63.100 -0.062 0.000 0.760 89 P CB 0.311 31.991 31.700 -0.034 0.000 0.762 90 M N 5.141 124.703 119.600 -0.064 0.000 2.252 90 M HA 0.044 4.523 4.480 -0.000 0.000 0.321 90 M C -1.690 174.612 176.300 0.002 0.000 1.070 90 M CA -0.980 54.306 55.300 -0.023 0.000 1.143 90 M CB -0.401 32.208 32.600 0.016 0.000 1.498 90 M HN 0.252 nan 8.290 nan 0.000 0.445 91 P HA -0.070 nan 4.420 nan 0.000 0.264 91 P C -0.725 176.575 177.300 -0.001 0.000 1.179 91 P CA 0.329 63.333 63.100 -0.160 0.000 0.763 91 P CB 0.035 31.680 31.700 -0.090 0.000 0.806 92 F N -0.281 119.647 119.950 -0.036 0.000 3.058 92 F HA -0.214 4.313 4.527 -0.000 0.000 0.295 92 F C 1.358 177.170 175.800 0.021 0.000 0.875 92 F CA 1.037 59.027 58.000 -0.017 0.000 1.150 92 F CB -2.877 36.121 39.000 -0.003 0.000 1.175 92 F HN 0.353 nan 8.300 nan 0.000 0.599 93 S N -0.983 114.778 115.700 0.100 0.000 2.558 93 S HA -0.013 4.457 4.470 -0.000 0.000 0.217 93 S C 1.397 176.048 174.600 0.085 0.000 0.975 93 S CA 0.633 58.888 58.200 0.090 0.000 0.912 93 S CB -0.042 63.183 63.200 0.042 0.000 0.776 93 S HN 0.499 nan 8.310 nan 0.000 0.526 94 D N 1.909 122.362 120.400 0.088 0.000 2.340 94 D HA 0.317 4.957 4.640 -0.000 0.000 0.220 94 D C 0.766 177.130 176.300 0.107 0.000 1.039 94 D CA 0.189 54.239 54.000 0.083 0.000 0.866 94 D CB -0.510 40.331 40.800 0.067 0.000 0.913 94 D HN 0.501 nan 8.370 nan 0.000 0.523 95 A N 0.995 123.897 122.820 0.138 0.000 2.555 95 A HA 0.008 4.328 4.320 -0.000 0.000 0.233 95 A C 0.627 178.277 177.584 0.111 0.000 1.060 95 A CA -0.290 51.828 52.037 0.134 0.000 0.759 95 A CB -0.056 19.030 19.000 0.142 0.000 0.995 95 A HN 0.267 nan 8.150 nan 0.000 0.506 96 K N 1.725 122.189 120.400 0.107 0.000 2.477 96 K HA -0.071 4.249 4.320 -0.000 0.000 0.275 96 K C -0.281 176.376 176.600 0.095 0.000 1.054 96 K CA 0.756 57.100 56.287 0.095 0.000 1.135 96 K CB 0.141 32.701 32.500 0.100 0.000 0.854 96 K HN 0.599 nan 8.250 nan 0.000 0.484 97 K N 4.742 125.191 120.400 0.082 0.000 2.416 97 K HA 0.062 4.382 4.320 -0.000 0.000 0.283 97 K C -0.401 176.246 176.600 0.079 0.000 1.037 97 K CA 0.400 56.733 56.287 0.077 0.000 0.995 97 K CB 0.711 33.248 32.500 0.061 0.000 0.938 97 K HN 0.479 nan 8.250 nan 0.000 0.475 98 K N 2.549 123.001 120.400 0.087 0.000 2.435 98 K HA 0.303 4.622 4.320 -0.000 0.000 0.251 98 K C -0.732 175.919 176.600 0.083 0.000 0.954 98 K CA -0.985 55.357 56.287 0.091 0.000 0.820 98 K CB 2.257 34.826 32.500 0.115 0.000 1.292 98 K HN 0.285 nan 8.250 nan 0.000 0.436 99 K N 0.939 121.385 120.400 0.077 0.000 2.237 99 K HA 0.101 4.421 4.320 -0.000 0.000 0.270 99 K C 0.239 176.883 176.600 0.075 0.000 1.015 99 K CA -0.109 56.214 56.287 0.060 0.000 0.949 99 K CB 1.161 33.692 32.500 0.051 0.000 0.976 99 K HN 0.498 nan 8.250 nan 0.000 0.472 100 S N 2.533 118.255 115.700 0.036 0.000 2.593 100 S HA -0.117 4.353 4.470 -0.000 0.000 0.303 100 S C 1.388 176.011 174.600 0.038 0.000 1.267 100 S CA -0.126 58.077 58.200 0.005 0.000 1.047 100 S CB 0.225 63.345 63.200 -0.134 0.000 0.777 100 S HN 0.796 nan 8.310 nan 0.000 0.498 101 W N 3.558 124.860 121.300 0.003 0.000 2.402 101 W HA 0.018 4.678 4.660 -0.000 0.000 0.286 101 W C 0.395 176.914 176.519 -0.001 0.000 1.221 101 W CA 0.656 57.993 57.345 -0.013 0.000 1.257 101 W CB -0.837 28.563 29.460 -0.100 0.000 1.120 101 W HN 0.593 nan 8.180 nan 0.000 0.551 102 D N 3.081 122.917 120.400 -0.940 0.000 2.483 102 D HA 0.008 4.647 4.640 -0.000 0.000 0.220 102 D C -0.200 175.876 176.300 -0.373 0.000 1.173 102 D CA -0.030 53.326 54.000 -1.072 0.000 0.964 102 D CB -0.036 39.705 40.800 -1.764 0.000 1.046 102 D HN 0.122 nan 8.370 nan 0.000 0.517 103 D N 2.280 122.633 120.400 -0.079 0.000 2.491 103 D HA 0.337 4.976 4.640 -0.000 0.000 0.228 103 D C 1.181 177.520 176.300 0.065 0.000 1.183 103 D CA -0.284 53.723 54.000 0.012 0.000 0.827 103 D CB -0.065 40.786 40.800 0.085 0.000 0.989 103 D HN 0.468 nan 8.370 nan 0.000 0.494 104 G N 0.315 109.151 108.800 0.060 0.000 2.484 104 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.225 104 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.225 104 G C -1.208 173.880 174.900 0.314 0.000 1.250 104 G CA -0.420 44.768 45.100 0.146 0.000 0.926 104 G HN 0.452 nan 8.290 nan 0.000 0.581 105 W N 2.097 123.442 121.300 0.075 0.000 2.656 105 W HA 0.726 5.386 4.660 -0.000 0.000 0.327 105 W C -1.514 175.030 176.519 0.040 0.000 1.041 105 W CA -1.304 56.109 57.345 0.112 0.000 1.229 105 W CB 1.614 31.112 29.460 0.063 0.000 1.397 105 W HN 0.580 nan 8.180 nan 0.000 0.479 106 D N 5.074 125.301 120.400 -0.288 0.000 2.454 106 D HA 0.071 4.710 4.640 -0.000 0.000 0.225 106 D C 1.306 177.061 176.300 -0.909 0.000 1.081 106 D CA -0.062 53.602 54.000 -0.560 0.000 0.864 106 D CB 1.240 41.772 40.800 -0.447 0.000 1.040 106 D HN 0.578 nan 8.370 nan 0.000 0.517 107 Q N 2.382 121.543 119.800 -1.064 0.000 2.096 107 Q HA -0.175 4.164 4.340 -0.000 0.000 0.204 107 Q C 0.694 176.329 176.000 -0.608 0.000 0.982 107 Q CA 1.101 56.258 55.803 -1.077 0.000 0.850 107 Q CB 0.119 28.369 28.738 -0.814 0.000 0.901 107 Q HN 0.324 nan 8.270 nan 0.000 0.422 108 D N 1.363 121.492 120.400 -0.450 0.000 2.117 108 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 108 D C 1.637 177.724 176.300 -0.355 0.000 0.987 108 D CA 1.228 55.038 54.000 -0.318 0.000 0.829 108 D CB -0.033 40.634 40.800 -0.221 0.000 0.961 108 D HN 0.308 nan 8.370 nan 0.000 0.460 109 K N 0.068 120.164 120.400 -0.506 0.000 2.217 109 K HA 0.033 4.353 4.320 -0.000 0.000 0.202 109 K C 2.204 178.465 176.600 -0.564 0.000 1.051 109 K CA 0.278 56.222 56.287 -0.571 0.000 0.952 109 K CB 0.138 32.091 32.500 -0.912 0.000 0.736 109 K HN 0.137 nan 8.250 nan 0.000 0.453 110 I N 1.062 121.250 120.570 -0.636 0.000 2.202 110 I HA -0.310 3.859 4.170 -0.000 0.000 0.242 110 I C 2.456 178.443 176.117 -0.217 0.000 1.091 110 I CA 1.292 62.372 61.300 -0.367 0.000 1.368 110 I CB -0.210 37.530 38.000 -0.433 0.000 1.058 110 I HN 0.238 nan 8.210 nan 0.000 0.410 111 Q N 0.743 120.396 119.800 -0.246 0.000 2.045 111 Q HA -0.308 4.032 4.340 -0.000 0.000 0.206 111 Q C 2.265 178.200 176.000 -0.109 0.000 0.991 111 Q CA 1.979 57.690 55.803 -0.154 0.000 0.851 111 Q CB -0.134 28.506 28.738 -0.163 0.000 0.911 111 Q HN 0.376 nan 8.270 nan 0.000 0.418 112 K N -0.071 120.253 120.400 -0.128 0.000 2.074 112 K HA -0.182 4.137 4.320 -0.000 0.000 0.209 112 K C 1.928 178.504 176.600 -0.039 0.000 1.048 112 K CA 1.436 57.675 56.287 -0.079 0.000 0.926 112 K CB -0.199 32.248 32.500 -0.088 0.000 0.713 112 K HN 0.216 nan 8.250 nan 0.000 0.444 113 A N 0.530 123.331 122.820 -0.033 0.000 1.968 113 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 113 A C 2.049 179.646 177.584 0.022 0.000 1.169 113 A CA 1.136 53.191 52.037 0.029 0.000 0.638 113 A CB -0.447 18.602 19.000 0.081 0.000 0.812 113 A HN 0.206 nan 8.150 nan 0.000 0.446 114 I N -0.431 120.137 120.570 -0.004 0.000 2.286 114 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 114 I C 2.989 179.106 176.117 -0.000 0.000 1.104 114 I CA 0.829 62.130 61.300 0.002 0.000 1.397 114 I CB -0.402 37.593 38.000 -0.008 0.000 1.072 114 I HN 0.342 nan 8.210 nan 0.000 0.417 115 A N 1.165 123.977 122.820 -0.014 0.000 1.873 115 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 115 A C 2.494 180.077 177.584 -0.001 0.000 1.193 115 A CA 2.231 54.261 52.037 -0.012 0.000 0.629 115 A CB -1.097 17.889 19.000 -0.023 0.000 0.826 115 A HN 0.443 nan 8.150 nan 0.000 0.447 116 A N -1.299 121.524 122.820 0.005 0.000 2.194 116 A HA 0.344 4.664 4.320 -0.000 0.000 0.220 116 A C 1.792 179.391 177.584 0.026 0.000 1.162 116 A CA 1.644 53.691 52.037 0.017 0.000 0.674 116 A CB -1.580 17.436 19.000 0.025 0.000 0.789 116 A HN 2.360 nan 8.150 nan 0.000 0.470 117 G N -1.402 107.415 108.800 0.027 0.000 2.888 117 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.441 117 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.441 117 G C -2.638 172.293 174.900 0.052 0.000 1.461 117 G CA -0.381 44.739 45.100 0.034 0.000 0.897 117 G HN 0.389 nan 8.290 nan 0.000 0.547 118 P HA 0.279 nan 4.420 nan 0.000 0.264 118 P C 0.676 178.028 177.300 0.087 0.000 1.193 118 P CA 0.252 63.398 63.100 0.077 0.000 0.763 118 P CB 1.169 32.909 31.700 0.067 0.000 0.810 119 S N 1.254 117.031 115.700 0.128 0.000 2.496 119 S HA -0.036 4.433 4.470 -0.000 0.000 0.224 119 S C 0.701 175.353 174.600 0.086 0.000 0.996 119 S CA 0.493 58.760 58.200 0.113 0.000 0.927 119 S CB -0.174 63.124 63.200 0.163 0.000 0.774 119 S HN 0.721 nan 8.310 nan 0.000 0.524 120 E N -1.446 118.819 120.200 0.109 0.000 2.409 120 E HA 0.478 4.828 4.350 -0.000 0.000 0.280 120 E C -1.608 175.045 176.600 0.089 0.000 1.079 120 E CA -0.903 55.548 56.400 0.086 0.000 0.840 120 E CB 1.177 30.929 29.700 0.087 0.000 1.309 120 E HN -0.137 nan 8.360 nan 0.000 0.447 121 T N 0.721 115.317 114.554 0.070 0.000 2.900 121 T HA 0.682 5.032 4.350 -0.000 0.000 0.303 121 T C -1.045 173.692 174.700 0.061 0.000 1.142 121 T CA -0.391 61.748 62.100 0.065 0.000 1.007 121 T CB 1.950 70.850 68.868 0.053 0.000 1.156 121 T HN 0.640 nan 8.240 nan 0.000 0.490 122 T N 0.594 115.186 114.554 0.062 0.000 2.804 122 T HA 0.411 4.760 4.350 -0.000 0.000 0.290 122 T C 0.800 175.534 174.700 0.056 0.000 1.099 122 T CA -0.902 61.232 62.100 0.057 0.000 1.011 122 T CB 1.921 70.825 68.868 0.061 0.000 1.291 122 T HN 0.464 nan 8.240 nan 0.000 0.523 123 Q N -0.557 119.274 119.800 0.052 0.000 2.165 123 Q HA 0.249 4.589 4.340 -0.000 0.000 0.197 123 Q C -0.019 176.024 176.000 0.071 0.000 0.952 123 Q CA 0.718 56.555 55.803 0.056 0.000 0.848 123 Q CB 0.390 29.152 28.738 0.041 0.000 0.931 123 Q HN 0.342 nan 8.270 nan 0.000 0.470 124 V N 1.818 121.768 119.914 0.059 0.000 2.443 124 V HA 0.278 4.398 4.120 -0.000 0.000 0.293 124 V C -0.795 175.334 176.094 0.058 0.000 1.021 124 V CA -0.470 61.865 62.300 0.059 0.000 0.848 124 V CB 1.997 33.837 31.823 0.029 0.000 0.998 124 V HN 0.227 nan 8.190 nan 0.000 0.424 125 L N 5.917 127.181 121.223 0.069 0.000 2.264 125 L HA 0.615 4.955 4.340 -0.000 0.000 0.289 125 L C -0.836 176.066 176.870 0.054 0.000 1.044 125 L CA -0.347 54.527 54.840 0.058 0.000 0.807 125 L CB 1.673 43.767 42.059 0.059 0.000 1.192 125 L HN 0.437 nan 8.230 nan 0.000 0.425 126 V N 5.949 125.884 119.914 0.035 0.000 2.357 126 V HA 0.254 4.374 4.120 -0.000 0.000 0.284 126 V C 0.022 176.120 176.094 0.007 0.000 1.018 126 V CA -0.612 61.703 62.300 0.025 0.000 0.841 126 V CB 1.806 33.636 31.823 0.011 0.000 0.991 126 V HN 0.462 nan 8.190 nan 0.000 0.437 127 V N 4.352 124.277 119.914 0.018 0.000 2.334 127 V HA 0.837 4.957 4.120 -0.000 0.000 0.267 127 V C 0.665 176.757 176.094 -0.003 0.000 1.040 127 V CA 0.252 62.557 62.300 0.009 0.000 0.866 127 V CB 0.465 32.301 31.823 0.023 0.000 1.019 127 V HN 1.230 nan 8.190 nan 0.000 0.468 128 G N 4.026 112.806 108.800 -0.034 0.000 3.438 128 G HA2 0.334 4.294 3.960 -0.000 0.000 0.684 128 G HA3 0.334 4.294 3.960 -0.000 0.000 0.684 128 G C -0.361 174.474 174.900 -0.109 0.000 1.192 128 G CA -0.370 44.705 45.100 -0.043 0.000 1.013 128 G HN 1.377 nan 8.290 nan 0.000 0.530 129 A N 1.790 124.503 122.820 -0.178 0.000 3.257 129 A HA 0.821 5.141 4.320 -0.000 0.000 0.308 129 A C 1.204 178.710 177.584 -0.129 0.000 1.175 129 A CA 0.996 52.776 52.037 -0.428 0.000 1.018 129 A CB -0.110 18.448 19.000 -0.737 0.000 1.088 129 A HN 2.008 nan 8.150 nan 0.000 0.567 130 G N -0.518 108.311 108.800 0.047 0.000 2.773 130 G HA2 0.349 4.309 3.960 -0.000 0.000 0.186 130 G HA3 0.349 4.309 3.960 -0.000 0.000 0.186 130 G C 1.266 176.345 174.900 0.299 0.000 1.411 130 G CA 0.673 45.891 45.100 0.196 0.000 1.054 130 G HN 0.415 nan 8.290 nan 0.000 0.579 131 S N -0.770 115.082 115.700 0.253 0.000 2.355 131 S HA -0.019 4.450 4.470 -0.000 0.000 0.222 131 S C 2.620 177.372 174.600 0.253 0.000 1.031 131 S CA 1.822 60.181 58.200 0.266 0.000 0.993 131 S CB -0.698 62.622 63.200 0.201 0.000 0.859 131 S HN 0.819 nan 8.310 nan 0.000 0.453 132 A N 0.744 123.681 122.820 0.197 0.000 1.902 132 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 132 A C 2.314 179.990 177.584 0.155 0.000 1.181 132 A CA 1.805 53.947 52.037 0.174 0.000 0.623 132 A CB -1.550 17.543 19.000 0.154 0.000 0.818 132 A HN 0.635 nan 8.150 nan 0.000 0.443 133 G N -1.695 107.176 108.800 0.119 0.000 2.403 133 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.216 133 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.216 133 G C 1.324 176.276 174.900 0.086 0.000 1.154 133 G CA 0.840 45.972 45.100 0.053 0.000 0.784 133 G HN 0.391 nan 8.290 nan 0.000 0.538 134 F N 1.578 121.593 119.950 0.108 0.000 2.134 134 F HA -0.036 4.491 4.527 -0.000 0.000 0.299 134 F C 2.653 178.544 175.800 0.153 0.000 1.097 134 F CA 1.156 59.228 58.000 0.119 0.000 1.264 134 F CB -0.244 38.824 39.000 0.114 0.000 1.001 134 F HN 0.075 nan 8.300 nan 0.000 0.479 135 N N 0.217 119.131 118.700 0.357 0.000 2.120 135 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 135 N C 2.061 177.676 175.510 0.175 0.000 1.024 135 N CA 1.359 54.595 53.050 0.310 0.000 0.852 135 N CB -0.514 38.130 38.487 0.261 0.000 1.003 135 N HN 0.273 nan 8.380 nan 0.000 0.424 136 A N 1.117 124.014 122.820 0.127 0.000 1.865 136 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 136 A C 2.548 180.170 177.584 0.063 0.000 1.191 136 A CA 1.904 53.977 52.037 0.060 0.000 0.623 136 A CB -0.860 18.174 19.000 0.057 0.000 0.826 136 A HN 0.270 nan 8.150 nan 0.000 0.444 137 S N -0.023 115.737 115.700 0.099 0.000 2.372 137 S HA -0.208 4.262 4.470 -0.000 0.000 0.227 137 S C 1.836 176.515 174.600 0.131 0.000 1.044 137 S CA 1.836 60.100 58.200 0.106 0.000 1.050 137 S CB -0.576 62.703 63.200 0.132 0.000 0.901 137 S HN 0.478 nan 8.310 nan 0.000 0.447 138 L N 0.914 122.258 121.223 0.201 0.000 2.056 138 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 138 L C 2.708 179.661 176.870 0.138 0.000 1.078 138 L CA 1.190 56.174 54.840 0.241 0.000 0.749 138 L CB -0.577 41.746 42.059 0.440 0.000 0.901 138 L HN 0.333 nan 8.230 nan 0.000 0.433 139 A N -0.310 122.526 122.820 0.027 0.000 2.015 139 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 139 A C 2.471 180.022 177.584 -0.056 0.000 1.163 139 A CA 1.446 53.421 52.037 -0.103 0.000 0.646 139 A CB -0.549 18.333 19.000 -0.196 0.000 0.806 139 A HN 0.380 nan 8.150 nan 0.000 0.448 140 A N -0.334 122.474 122.820 -0.020 0.000 1.929 140 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 140 A C 2.053 179.639 177.584 0.002 0.000 1.176 140 A CA 2.013 54.034 52.037 -0.026 0.000 0.628 140 A CB -0.304 18.682 19.000 -0.024 0.000 0.816 140 A HN 0.382 nan 8.150 nan 0.000 0.444 141 K N 0.424 120.845 120.400 0.034 0.000 2.025 141 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 141 K C 2.007 178.632 176.600 0.041 0.000 1.049 141 K CA 1.890 58.206 56.287 0.047 0.000 0.933 141 K CB -0.285 32.260 32.500 0.076 0.000 0.714 141 K HN 0.418 nan 8.250 nan 0.000 0.438 142 K N -0.435 119.992 120.400 0.046 0.000 2.113 142 K HA -0.151 4.168 4.320 -0.000 0.000 0.208 142 K C 1.701 178.303 176.600 0.002 0.000 1.047 142 K CA 1.551 57.857 56.287 0.032 0.000 0.928 142 K CB -0.223 32.289 32.500 0.022 0.000 0.716 142 K HN 0.215 nan 8.250 nan 0.000 0.446 143 A N -0.447 122.363 122.820 -0.017 0.000 2.067 143 A HA 0.168 4.488 4.320 -0.000 0.000 0.217 143 A C 1.379 178.957 177.584 -0.011 0.000 1.156 143 A CA 1.086 53.107 52.037 -0.027 0.000 0.683 143 A CB -0.096 18.876 19.000 -0.047 0.000 0.808 143 A HN 0.559 nan 8.150 nan 0.000 0.455 144 G N -2.612 106.187 108.800 -0.000 0.000 2.148 144 G HA2 0.314 4.274 3.960 -0.000 0.000 0.120 144 G HA3 0.314 4.274 3.960 -0.000 0.000 0.120 144 G C 0.098 175.004 174.900 0.010 0.000 1.034 144 G CA 0.023 45.127 45.100 0.008 0.000 0.710 144 G HN 1.315 nan 8.290 nan 0.000 0.495 145 A N 0.106 122.931 122.820 0.009 0.000 2.295 145 A HA 0.762 5.081 4.320 -0.000 0.000 0.318 145 A C 0.347 177.945 177.584 0.024 0.000 1.134 145 A CA -0.611 51.434 52.037 0.014 0.000 0.827 145 A CB 0.601 19.606 19.000 0.007 0.000 1.136 145 A HN 0.260 nan 8.150 nan 0.000 0.493 146 N N -0.063 118.654 118.700 0.028 0.000 2.508 146 N HA 0.417 5.157 4.740 -0.000 0.000 0.264 146 N C -0.891 174.642 175.510 0.040 0.000 1.216 146 N CA 0.105 53.177 53.050 0.035 0.000 0.943 146 N CB 1.439 39.947 38.487 0.035 0.000 1.113 146 N HN 0.315 nan 8.380 nan 0.000 0.447 147 V N 2.343 122.284 119.914 0.045 0.000 2.808 147 V HA 0.452 4.572 4.120 -0.000 0.000 0.308 147 V C -0.081 176.044 176.094 0.051 0.000 1.099 147 V CA -0.682 61.647 62.300 0.047 0.000 0.920 147 V CB 2.073 33.925 31.823 0.049 0.000 1.014 147 V HN 0.470 nan 8.190 nan 0.000 0.425 148 I N 4.859 125.459 120.570 0.051 0.000 2.412 148 I HA 0.502 4.671 4.170 -0.000 0.000 0.296 148 I C -1.007 175.131 176.117 0.035 0.000 0.987 148 I CA -0.807 60.524 61.300 0.052 0.000 1.180 148 I CB 1.904 39.944 38.000 0.066 0.000 1.340 148 I HN 0.386 nan 8.210 nan 0.000 0.455 149 L N 8.609 129.844 121.223 0.021 0.000 2.325 149 L HA 0.652 4.992 4.340 -0.000 0.000 0.281 149 L C -0.635 176.220 176.870 -0.026 0.000 1.004 149 L CA -0.518 54.308 54.840 -0.023 0.000 0.823 149 L CB 1.562 43.580 42.059 -0.067 0.000 1.236 149 L HN 0.386 nan 8.230 nan 0.000 0.415 150 V N 1.450 121.347 119.914 -0.028 0.000 2.769 150 V HA 0.776 4.896 4.120 -0.000 0.000 0.312 150 V C -1.088 174.986 176.094 -0.033 0.000 1.061 150 V CA -0.546 61.748 62.300 -0.012 0.000 0.931 150 V CB 1.900 33.732 31.823 0.016 0.000 1.010 150 V HN 0.857 nan 8.190 nan 0.000 0.433 151 D N 2.046 122.436 120.400 -0.016 0.000 2.857 151 D HA 0.314 4.954 4.640 -0.000 0.000 0.227 151 D C 0.391 176.708 176.300 0.029 0.000 1.192 151 D CA -0.399 53.590 54.000 -0.017 0.000 0.857 151 D CB 2.832 43.603 40.800 -0.049 0.000 1.645 151 D HN 0.866 nan 8.370 nan 0.000 0.482 152 K N 1.256 121.685 120.400 0.049 0.000 2.432 152 K HA 0.277 4.597 4.320 -0.000 0.000 0.196 152 K C 0.699 177.398 176.600 0.165 0.000 1.038 152 K CA -0.013 56.358 56.287 0.140 0.000 0.986 152 K CB 0.373 32.924 32.500 0.085 0.000 0.782 152 K HN 0.204 nan 8.250 nan 0.000 0.485 153 A N 2.206 125.044 122.820 0.029 0.000 2.246 153 A HA 0.345 4.665 4.320 -0.000 0.000 0.291 153 A C -1.748 175.791 177.584 -0.073 0.000 1.103 153 A CA -1.744 50.260 52.037 -0.055 0.000 0.844 153 A CB 0.285 19.148 19.000 -0.228 0.000 1.136 153 A HN -0.016 nan 8.150 nan 0.000 0.500 154 P HA 0.015 nan 4.420 nan 0.000 0.220 154 P C -0.329 176.968 177.300 -0.006 0.000 1.148 154 P CA 1.359 64.399 63.100 -0.100 0.000 0.803 154 P CB -0.168 31.427 31.700 -0.176 0.000 0.782 155 F N -3.507 116.417 119.950 -0.043 0.000 2.668 155 F HA 0.596 5.123 4.527 -0.000 0.000 0.309 155 F C -0.007 175.810 175.800 0.028 0.000 1.117 155 F CA -1.817 56.172 58.000 -0.019 0.000 0.951 155 F CB 0.269 39.234 39.000 -0.058 0.000 1.323 155 F HN -0.360 nan 8.300 nan 0.000 0.451 156 S N -0.489 115.394 115.700 0.305 0.000 2.693 156 S HA 0.816 5.286 4.470 -0.000 0.000 0.276 156 S C 0.561 175.379 174.600 0.364 0.000 1.192 156 S CA 0.044 58.391 58.200 0.245 0.000 0.994 156 S CB 1.060 64.429 63.200 0.282 0.000 1.012 156 S HN 2.305 nan 8.310 nan 0.000 0.550 157 G N -0.458 108.518 108.800 0.293 0.000 2.481 157 G HA2 0.307 4.267 3.960 -0.000 0.000 0.200 157 G HA3 0.307 4.267 3.960 -0.000 0.000 0.200 157 G C 1.211 176.231 174.900 0.199 0.000 1.012 157 G CA 0.433 45.709 45.100 0.293 0.000 0.676 157 G HN 2.258 nan 8.290 nan 0.000 0.488 158 G N 0.916 109.797 108.800 0.136 0.000 2.582 158 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.288 158 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.288 158 G C 0.806 175.766 174.900 0.100 0.000 1.247 158 G CA 0.962 46.113 45.100 0.084 0.000 0.972 158 G HN 1.025 nan 8.290 nan 0.000 0.557 159 N N 0.412 119.152 118.700 0.067 0.000 2.270 159 N HA -0.026 4.714 4.740 -0.000 0.000 0.181 159 N C 2.614 178.172 175.510 0.080 0.000 1.016 159 N CA 1.480 54.561 53.050 0.052 0.000 0.870 159 N CB -0.439 38.050 38.487 0.004 0.000 0.979 159 N HN 0.468 nan 8.380 nan 0.000 0.431 160 S N 1.532 117.295 115.700 0.104 0.000 2.402 160 S HA -0.163 4.307 4.470 -0.000 0.000 0.233 160 S C 1.927 176.598 174.600 0.119 0.000 1.030 160 S CA 1.269 59.541 58.200 0.119 0.000 1.003 160 S CB -0.255 63.035 63.200 0.150 0.000 0.813 160 S HN 0.568 nan 8.310 nan 0.000 0.477 161 M N 0.693 120.377 119.600 0.140 0.000 2.558 161 M HA 0.213 4.693 4.480 -0.000 0.000 0.255 161 M C 1.459 177.836 176.300 0.128 0.000 1.113 161 M CA 1.164 56.553 55.300 0.147 0.000 1.097 161 M CB -0.612 32.109 32.600 0.201 0.000 1.426 161 M HN 0.374 nan 8.290 nan 0.000 0.488 162 I N -0.521 120.109 120.570 0.101 0.000 3.976 162 I HA 0.288 4.458 4.170 -0.000 0.000 0.337 162 I C 0.468 176.594 176.117 0.016 0.000 1.359 162 I CA -0.613 60.712 61.300 0.040 0.000 1.098 162 I CB -0.193 37.836 38.000 0.048 0.000 1.027 162 I HN 0.200 nan 8.210 nan 0.000 0.394 163 S N 1.252 116.978 115.700 0.045 0.000 2.549 163 S HA 0.550 5.020 4.470 -0.000 0.000 0.283 163 S C 0.958 175.579 174.600 0.035 0.000 1.320 163 S CA 0.006 58.236 58.200 0.051 0.000 1.058 163 S CB 2.031 65.273 63.200 0.070 0.000 0.882 163 S HN 0.401 nan 8.310 nan 0.000 0.498 164 A N 3.217 126.059 122.820 0.037 0.000 1.920 164 A HA 0.528 4.848 4.320 -0.000 0.000 0.209 164 A C 1.572 179.176 177.584 0.032 0.000 1.229 164 A CA 0.383 52.437 52.037 0.028 0.000 0.671 164 A CB -0.567 18.457 19.000 0.039 0.000 0.886 164 A HN 1.223 nan 8.150 nan 0.000 0.461 165 G N -0.636 108.189 108.800 0.042 0.000 4.547 165 G HA2 0.508 4.468 3.960 -0.000 0.000 0.301 165 G HA3 0.508 4.468 3.960 -0.000 0.000 0.301 165 G C 0.809 175.738 174.900 0.049 0.000 1.240 165 G CA 0.534 45.656 45.100 0.036 0.000 0.970 165 G HN 1.226 nan 8.290 nan 0.000 0.574 166 G N 0.820 109.657 108.800 0.063 0.000 2.564 166 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.309 166 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.309 166 G C 0.173 175.138 174.900 0.108 0.000 1.320 166 G CA 0.591 45.743 45.100 0.087 0.000 0.941 166 G HN 1.042 nan 8.290 nan 0.000 0.543 167 M N 0.405 120.093 119.600 0.147 0.000 2.142 167 M HA 0.406 4.886 4.480 -0.000 0.000 0.299 167 M C -0.635 175.811 176.300 0.242 0.000 0.960 167 M CA -0.861 54.539 55.300 0.167 0.000 0.920 167 M CB 1.172 33.852 32.600 0.134 0.000 1.541 167 M HN 0.537 nan 8.290 nan 0.000 0.429 168 N N 3.477 122.319 118.700 0.237 0.000 2.497 168 N HA 0.588 5.327 4.740 -0.000 0.000 0.268 168 N C -1.018 174.746 175.510 0.424 0.000 1.171 168 N CA 0.192 53.427 53.050 0.308 0.000 0.948 168 N CB 1.280 39.867 38.487 0.167 0.000 1.069 168 N HN 0.740 nan 8.380 nan 0.000 0.460 169 A N 1.023 124.118 122.820 0.458 0.000 2.606 169 A HA 0.613 4.933 4.320 -0.000 0.000 0.293 169 A C -1.268 176.537 177.584 0.368 0.000 1.082 169 A CA -0.705 51.514 52.037 0.304 0.000 0.685 169 A CB 1.492 20.474 19.000 -0.030 0.000 1.284 169 A HN 0.396 nan 8.150 nan 0.000 0.408 170 V N 0.805 120.841 119.914 0.202 0.000 2.604 170 V HA 0.727 4.847 4.120 -0.000 0.000 0.305 170 V C 0.714 176.851 176.094 0.072 0.000 1.043 170 V CA 1.103 63.517 62.300 0.189 0.000 0.888 170 V CB 1.157 33.083 31.823 0.173 0.000 0.995 170 V HN 2.780 nan 8.190 nan 0.000 0.429 171 G N 3.800 112.649 108.800 0.082 0.000 2.142 171 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.225 171 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.225 171 G C 0.122 175.054 174.900 0.052 0.000 1.015 171 G CA 0.464 45.587 45.100 0.038 0.000 0.716 171 G HN 1.699 nan 8.290 nan 0.000 0.508 172 T N -2.543 112.076 114.554 0.108 0.000 2.912 172 T HA 0.632 4.981 4.350 -0.000 0.000 0.280 172 T C 1.599 176.368 174.700 0.115 0.000 0.989 172 T CA 0.180 62.342 62.100 0.104 0.000 0.995 172 T CB 1.580 70.538 68.868 0.150 0.000 1.077 172 T HN 0.581 nan 8.240 nan 0.000 0.531 173 K N 0.235 120.690 120.400 0.091 0.000 2.283 173 K HA -0.137 4.183 4.320 -0.000 0.000 0.202 173 K C 1.782 178.459 176.600 0.129 0.000 1.048 173 K CA 1.032 57.369 56.287 0.083 0.000 0.948 173 K CB -0.241 32.290 32.500 0.052 0.000 0.742 173 K HN 0.457 nan 8.250 nan 0.000 0.458 174 Q N 1.228 121.149 119.800 0.201 0.000 2.224 174 Q HA -0.063 4.276 4.340 -0.000 0.000 0.203 174 Q C 1.907 178.082 176.000 0.292 0.000 0.970 174 Q CA 1.535 57.497 55.803 0.264 0.000 0.865 174 Q CB -0.025 28.880 28.738 0.277 0.000 0.922 174 Q HN 0.503 nan 8.270 nan 0.000 0.445 175 Q N -0.656 119.268 119.800 0.205 0.000 2.123 175 Q HA -0.091 4.249 4.340 -0.000 0.000 0.199 175 Q C 2.030 178.118 176.000 0.145 0.000 0.966 175 Q CA 1.651 57.543 55.803 0.148 0.000 0.845 175 Q CB -0.002 28.813 28.738 0.128 0.000 0.907 175 Q HN 0.594 nan 8.270 nan 0.000 0.439 176 T N -2.068 112.556 114.554 0.116 0.000 3.023 176 T HA 0.100 4.450 4.350 -0.000 0.000 0.266 176 T C 1.855 176.589 174.700 0.056 0.000 1.093 176 T CA 0.748 62.893 62.100 0.074 0.000 1.129 176 T CB 0.005 68.901 68.868 0.046 0.000 0.899 176 T HN 0.204 nan 8.240 nan 0.000 0.491 177 A N 1.010 123.865 122.820 0.059 0.000 2.016 177 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 177 A C 1.740 179.259 177.584 -0.110 0.000 1.162 177 A CA 0.988 52.995 52.037 -0.050 0.000 0.662 177 A CB -0.683 18.245 19.000 -0.120 0.000 0.812 177 A HN 0.706 nan 8.150 nan 0.000 0.450 178 H N -1.404 117.668 119.070 0.002 0.000 2.520 178 H HA 0.390 4.946 4.556 -0.000 0.000 0.284 178 H C 1.373 176.705 175.328 0.008 0.000 1.037 178 H CA 0.168 56.215 56.048 -0.001 0.000 1.168 178 H CB 0.186 29.942 29.762 -0.010 0.000 1.497 178 H HN 0.517 nan 8.280 nan 0.000 0.547 179 G N 0.751 109.614 108.800 0.105 0.000 2.198 179 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 179 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 179 G C -0.147 174.804 174.900 0.085 0.000 1.025 179 G CA 0.412 45.558 45.100 0.076 0.000 0.769 179 G HN 0.273 nan 8.290 nan 0.000 0.507 180 V N 1.225 121.199 119.914 0.100 0.000 2.383 180 V HA 0.439 4.558 4.120 -0.000 0.000 0.275 180 V C 0.679 176.833 176.094 0.100 0.000 1.036 180 V CA -0.165 62.191 62.300 0.094 0.000 0.889 180 V CB 1.522 33.388 31.823 0.072 0.000 0.985 180 V HN 0.578 nan 8.190 nan 0.000 0.459 181 E N 4.125 124.397 120.200 0.121 0.000 2.259 181 E HA 0.517 4.867 4.350 -0.000 0.000 0.281 181 E C -1.135 175.579 176.600 0.189 0.000 1.027 181 E CA -0.550 55.921 56.400 0.118 0.000 0.838 181 E CB 1.724 31.496 29.700 0.120 0.000 1.066 181 E HN 0.614 nan 8.360 nan 0.000 0.401 182 D N 2.451 122.901 120.400 0.083 0.000 2.583 182 D HA 0.412 5.052 4.640 -0.000 0.000 0.248 182 D C -1.630 174.572 176.300 -0.164 0.000 1.209 182 D CA -0.613 53.467 54.000 0.133 0.000 0.848 182 D CB 1.694 42.614 40.800 0.200 0.000 1.431 182 D HN 0.482 nan 8.370 nan 0.000 0.436 183 K N 1.120 121.360 120.400 -0.266 0.000 2.502 183 K HA 0.366 4.686 4.320 -0.000 0.000 0.257 183 K C 0.506 177.040 176.600 -0.109 0.000 0.938 183 K CA -0.883 55.159 56.287 -0.407 0.000 0.819 183 K CB 2.542 34.493 32.500 -0.916 0.000 1.333 183 K HN 0.055 nan 8.250 nan 0.000 0.434 184 V N 1.920 121.782 119.914 -0.086 0.000 2.380 184 V HA -0.293 3.827 4.120 -0.000 0.000 0.251 184 V C 2.123 178.265 176.094 0.081 0.000 1.063 184 V CA 2.071 64.367 62.300 -0.008 0.000 1.055 184 V CB -0.512 31.269 31.823 -0.070 0.000 0.657 184 V HN 0.811 nan 8.190 nan 0.000 0.455 185 E N -1.084 119.131 120.200 0.026 0.000 2.150 185 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 185 E C 2.054 178.840 176.600 0.310 0.000 0.985 185 E CA 1.287 57.759 56.400 0.120 0.000 0.814 185 E CB -0.592 29.154 29.700 0.076 0.000 0.752 185 E HN 0.702 nan 8.360 nan 0.000 0.466 186 W N 0.885 122.242 121.300 0.095 0.000 2.379 186 W HA -0.034 4.626 4.660 -0.000 0.000 0.307 186 W C 2.234 178.825 176.519 0.120 0.000 1.200 186 W CA 0.002 57.398 57.345 0.085 0.000 1.297 186 W CB -1.493 28.008 29.460 0.068 0.000 1.140 186 W HN 0.053 nan 8.180 nan 0.000 0.507 187 F N 0.842 120.941 119.950 0.248 0.000 2.065 187 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 187 F C 2.207 178.074 175.800 0.113 0.000 1.112 187 F CA 1.725 59.813 58.000 0.148 0.000 1.212 187 F CB -0.924 38.142 39.000 0.109 0.000 0.975 187 F HN -0.247 nan 8.300 nan 0.000 0.476 188 I N 0.233 121.081 120.570 0.464 0.000 2.127 188 I HA -0.325 3.845 4.170 -0.000 0.000 0.241 188 I C 2.370 178.599 176.117 0.187 0.000 1.075 188 I CA 1.959 63.438 61.300 0.299 0.000 1.334 188 I CB -0.653 37.459 38.000 0.186 0.000 1.040 188 I HN 0.190 nan 8.210 nan 0.000 0.405 189 E N 0.629 120.929 120.200 0.166 0.000 2.077 189 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 189 E C 1.784 178.414 176.600 0.050 0.000 0.989 189 E CA 1.464 57.923 56.400 0.099 0.000 0.800 189 E CB -0.149 29.617 29.700 0.110 0.000 0.746 189 E HN 0.454 nan 8.360 nan 0.000 0.452 190 D N 0.558 120.984 120.400 0.044 0.000 2.104 190 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 190 D C 1.889 178.167 176.300 -0.037 0.000 0.994 190 D CA 1.465 55.449 54.000 -0.027 0.000 0.830 190 D CB -0.346 40.409 40.800 -0.075 0.000 0.959 190 D HN 0.187 nan 8.370 nan 0.000 0.452 191 A N 0.709 123.519 122.820 -0.018 0.000 1.902 191 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 191 A C 2.158 179.754 177.584 0.020 0.000 1.181 191 A CA 1.432 53.476 52.037 0.011 0.000 0.623 191 A CB -0.414 18.644 19.000 0.097 0.000 0.818 191 A HN 0.095 nan 8.150 nan 0.000 0.443 192 M N -0.336 119.280 119.600 0.026 0.000 2.117 192 M HA -0.130 4.349 4.480 -0.000 0.000 0.262 192 M C 2.139 178.417 176.300 -0.036 0.000 1.065 192 M CA 2.034 57.332 55.300 -0.004 0.000 1.114 192 M CB -1.080 31.523 32.600 0.006 0.000 1.361 192 M HN 0.608 nan 8.290 nan 0.000 0.408 193 K N -0.019 120.364 120.400 -0.028 0.000 2.057 193 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 193 K C 2.005 178.579 176.600 -0.044 0.000 1.050 193 K CA 1.578 57.841 56.287 -0.041 0.000 0.935 193 K CB -0.338 32.140 32.500 -0.037 0.000 0.715 193 K HN 0.341 nan 8.250 nan 0.000 0.439 194 G N 0.012 108.791 108.800 -0.035 0.000 2.422 194 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 194 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 194 G C 1.351 176.237 174.900 -0.023 0.000 1.140 194 G CA 0.701 45.783 45.100 -0.029 0.000 0.775 194 G HN 0.465 nan 8.290 nan 0.000 0.545 195 G N -0.290 108.493 108.800 -0.028 0.000 3.124 195 G HA2 0.221 4.181 3.960 -0.000 0.000 0.212 195 G HA3 0.221 4.181 3.960 -0.000 0.000 0.212 195 G C 0.868 175.675 174.900 -0.156 0.000 1.181 195 G CA 0.039 45.108 45.100 -0.052 0.000 0.803 195 G HN 0.464 nan 8.290 nan 0.000 0.529 196 R N -0.925 119.490 120.500 -0.141 0.000 3.758 196 R HA -0.202 4.137 4.340 -0.000 0.000 0.299 196 R C 0.495 176.641 176.300 -0.257 0.000 1.182 196 R CA 0.739 56.724 56.100 -0.191 0.000 0.809 196 R CB -1.720 28.444 30.300 -0.227 0.000 1.249 196 R HN 0.436 nan 8.270 nan 0.000 0.497 197 Q N -2.093 117.586 119.800 -0.202 0.000 2.493 197 Q HA -0.237 4.103 4.340 -0.000 0.000 0.260 197 Q C 0.451 176.304 176.000 -0.245 0.000 0.905 197 Q CA 1.468 57.166 55.803 -0.175 0.000 1.140 197 Q CB -1.080 27.579 28.738 -0.132 0.000 1.435 197 Q HN 0.578 nan 8.270 nan 0.000 0.581 198 Q N -0.087 119.499 119.800 -0.357 0.000 2.352 198 Q HA 0.178 4.517 4.340 -0.000 0.000 0.212 198 Q C 0.395 176.264 176.000 -0.218 0.000 0.888 198 Q CA 0.209 55.758 55.803 -0.422 0.000 0.934 198 Q CB 0.340 28.498 28.738 -0.966 0.000 1.093 198 Q HN 0.535 nan 8.270 nan 0.000 0.523 199 N N 2.473 121.086 118.700 -0.145 0.000 2.454 199 N HA -0.065 4.675 4.740 -0.000 0.000 0.254 199 N C -0.108 175.366 175.510 -0.060 0.000 1.228 199 N CA 0.014 53.021 53.050 -0.072 0.000 0.900 199 N CB 0.513 38.981 38.487 -0.031 0.000 1.089 199 N HN -0.015 nan 8.380 nan 0.000 0.449 200 D N 2.104 122.474 120.400 -0.050 0.000 2.356 200 D HA -0.047 4.593 4.640 -0.000 0.000 0.272 200 D C 0.929 177.219 176.300 -0.016 0.000 1.337 200 D CA -0.172 53.804 54.000 -0.039 0.000 0.970 200 D CB 0.295 41.064 40.800 -0.052 0.000 1.092 200 D HN 0.432 nan 8.370 nan 0.000 0.516 201 I N 4.601 125.166 120.570 -0.008 0.000 2.423 201 I HA -0.268 3.902 4.170 -0.000 0.000 0.254 201 I C 1.835 177.969 176.117 0.029 0.000 1.151 201 I CA 1.542 62.850 61.300 0.013 0.000 1.421 201 I CB 0.159 38.163 38.000 0.008 0.000 1.079 201 I HN 0.306 nan 8.210 nan 0.000 0.431 202 K N -0.114 120.300 120.400 0.023 0.000 2.103 202 K HA -0.051 4.268 4.320 -0.000 0.000 0.204 202 K C 2.002 178.651 176.600 0.082 0.000 1.052 202 K CA 1.356 57.667 56.287 0.040 0.000 0.945 202 K CB -0.269 32.248 32.500 0.029 0.000 0.722 202 K HN 0.340 nan 8.250 nan 0.000 0.443 203 L N 0.619 121.881 121.223 0.065 0.000 2.109 203 L HA -0.127 4.212 4.340 -0.000 0.000 0.207 203 L C 2.285 179.289 176.870 0.224 0.000 1.086 203 L CA 0.666 55.589 54.840 0.139 0.000 0.760 203 L CB -0.489 41.506 42.059 -0.106 0.000 0.910 203 L HN -0.029 nan 8.230 nan 0.000 0.437 204 V N -0.346 119.641 119.914 0.121 0.000 2.332 204 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 204 V C 2.583 178.746 176.094 0.116 0.000 1.055 204 V CA 2.386 64.772 62.300 0.143 0.000 1.038 204 V CB -0.900 30.996 31.823 0.121 0.000 0.651 204 V HN 0.470 nan 8.190 nan 0.000 0.450 205 T N 0.345 114.944 114.554 0.076 0.000 2.684 205 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 205 T C 1.842 176.526 174.700 -0.028 0.000 1.036 205 T CA 1.875 63.988 62.100 0.022 0.000 1.148 205 T CB -0.308 68.574 68.868 0.022 0.000 0.863 205 T HN 0.340 nan 8.240 nan 0.000 0.436 206 I N 0.573 121.149 120.570 0.010 0.000 2.208 206 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 206 I C 2.368 178.373 176.117 -0.187 0.000 1.097 206 I CA 0.864 62.121 61.300 -0.071 0.000 1.363 206 I CB -0.427 37.572 38.000 -0.002 0.000 1.051 206 I HN 0.175 nan 8.210 nan 0.000 0.413 207 L N 1.333 122.514 121.223 -0.069 0.000 1.971 207 L HA -0.245 4.095 4.340 -0.000 0.000 0.215 207 L C 2.624 179.275 176.870 -0.364 0.000 1.072 207 L CA 2.414 57.191 54.840 -0.104 0.000 0.758 207 L CB -0.858 41.306 42.059 0.174 0.000 0.889 207 L HN 0.218 nan 8.230 nan 0.000 0.433 208 A N -1.038 121.477 122.820 -0.509 0.000 1.883 208 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 208 A C 2.195 179.456 177.584 -0.540 0.000 1.186 208 A CA 1.950 53.401 52.037 -0.977 0.000 0.624 208 A CB -0.759 17.900 19.000 -0.569 0.000 0.822 208 A HN 0.631 nan 8.150 nan 0.000 0.444 209 E N -0.900 119.116 120.200 -0.307 0.000 2.150 209 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 209 E C 1.720 178.198 176.600 -0.203 0.000 0.985 209 E CA 1.212 57.485 56.400 -0.211 0.000 0.814 209 E CB -0.052 29.560 29.700 -0.146 0.000 0.752 209 E HN 0.724 nan 8.360 nan 0.000 0.466 210 Q N -0.641 119.019 119.800 -0.233 0.000 2.217 210 Q HA 0.055 4.395 4.340 -0.000 0.000 0.217 210 Q C 1.801 177.693 176.000 -0.181 0.000 0.844 210 Q CA 0.082 55.764 55.803 -0.202 0.000 0.957 210 Q CB 0.860 29.453 28.738 -0.242 0.000 1.127 210 Q HN 0.162 nan 8.270 nan 0.000 0.503 211 S N 0.057 115.634 115.700 -0.205 0.000 2.368 211 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 211 S C 2.096 176.638 174.600 -0.097 0.000 1.029 211 S CA 0.900 59.015 58.200 -0.142 0.000 0.988 211 S CB -0.215 62.876 63.200 -0.183 0.000 0.838 211 S HN 0.353 nan 8.310 nan 0.000 0.462 212 A N 2.181 124.941 122.820 -0.100 0.000 1.902 212 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 212 A C 2.028 179.582 177.584 -0.050 0.000 1.181 212 A CA 1.814 53.804 52.037 -0.078 0.000 0.623 212 A CB -1.196 17.773 19.000 -0.053 0.000 0.818 212 A HN 0.486 nan 8.150 nan 0.000 0.443 213 D N -0.435 119.937 120.400 -0.046 0.000 2.133 213 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 213 D C 2.060 178.385 176.300 0.041 0.000 0.997 213 D CA 1.620 55.611 54.000 -0.014 0.000 0.840 213 D CB -0.551 40.216 40.800 -0.055 0.000 0.947 213 D HN 0.360 nan 8.370 nan 0.000 0.452 214 G N -0.073 108.736 108.800 0.016 0.000 2.418 214 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 214 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 214 G C 1.892 176.879 174.900 0.145 0.000 1.158 214 G CA 0.933 46.100 45.100 0.112 0.000 0.771 214 G HN 0.293 nan 8.290 nan 0.000 0.545 215 V N 0.377 120.306 119.914 0.025 0.000 2.343 215 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 215 V C 2.896 178.992 176.094 0.003 0.000 1.051 215 V CA 2.224 64.505 62.300 -0.032 0.000 1.036 215 V CB -0.583 31.127 31.823 -0.189 0.000 0.654 215 V HN 0.417 nan 8.190 nan 0.000 0.451 216 Q N -1.042 118.774 119.800 0.027 0.000 2.061 216 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 216 Q C 2.160 178.218 176.000 0.095 0.000 0.984 216 Q CA 2.199 58.031 55.803 0.047 0.000 0.846 216 Q CB -0.327 28.443 28.738 0.052 0.000 0.902 216 Q HN 0.862 nan 8.270 nan 0.000 0.421 217 W N 1.379 122.657 121.300 -0.036 0.000 2.318 217 W HA -0.243 4.416 4.660 -0.001 0.000 0.313 217 W C 1.346 177.854 176.519 -0.019 0.000 1.221 217 W CA 1.255 58.584 57.345 -0.026 0.000 1.266 217 W CB -0.296 29.147 29.460 -0.029 0.000 1.150 217 W HN 0.163 nan 8.180 nan 0.000 0.496 218 L N 0.790 121.894 121.223 -0.198 0.000 2.083 218 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 218 L C 2.582 179.302 176.870 -0.251 0.000 1.083 218 L CA 1.709 56.351 54.840 -0.329 0.000 0.752 218 L CB -0.954 41.035 42.059 -0.115 0.000 0.899 218 L HN -0.026 nan 8.230 nan 0.000 0.433 219 E N 0.086 120.206 120.200 -0.134 0.000 2.077 219 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 219 E C 2.283 178.814 176.600 -0.116 0.000 0.989 219 E CA 1.560 57.904 56.400 -0.093 0.000 0.800 219 E CB -0.098 29.578 29.700 -0.039 0.000 0.746 219 E HN 0.537 nan 8.360 nan 0.000 0.452 220 S N 0.795 116.417 115.700 -0.130 0.000 2.440 220 S HA -0.125 4.345 4.470 -0.000 0.000 0.238 220 S C 1.823 176.297 174.600 -0.209 0.000 1.010 220 S CA 0.828 58.950 58.200 -0.131 0.000 0.972 220 S CB -0.305 62.845 63.200 -0.083 0.000 0.774 220 S HN 0.200 nan 8.310 nan 0.000 0.501 221 L N 0.418 121.449 121.223 -0.320 0.000 2.592 221 L HA 0.393 4.732 4.340 -0.000 0.000 0.227 221 L C 1.852 178.604 176.870 -0.196 0.000 1.127 221 L CA 0.368 55.020 54.840 -0.313 0.000 0.884 221 L CB -0.304 41.474 42.059 -0.469 0.000 1.065 221 L HN 0.597 nan 8.230 nan 0.000 0.457 222 G N -0.124 108.586 108.800 -0.149 0.000 2.192 222 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.193 222 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.193 222 G C 0.355 175.208 174.900 -0.079 0.000 0.999 222 G CA -0.189 44.853 45.100 -0.097 0.000 0.659 222 G HN 0.395 nan 8.290 nan 0.000 0.503 223 A N 0.239 123.001 122.820 -0.096 0.000 2.425 223 A HA 0.582 4.902 4.320 -0.000 0.000 0.249 223 A C 0.422 177.992 177.584 -0.024 0.000 1.084 223 A CA 0.199 52.200 52.037 -0.060 0.000 0.781 223 A CB 0.369 19.328 19.000 -0.068 0.000 1.019 223 A HN 0.490 nan 8.150 nan 0.000 0.490 224 N N 1.950 120.652 118.700 0.004 0.000 2.422 224 N HA 0.410 5.150 4.740 -0.000 0.000 0.266 224 N C -1.111 174.433 175.510 0.056 0.000 1.007 224 N CA -0.171 52.900 53.050 0.034 0.000 0.941 224 N CB 0.792 39.311 38.487 0.054 0.000 1.115 224 N HN 0.563 nan 8.380 nan 0.000 0.492 225 L N 3.199 124.465 121.223 0.072 0.000 2.913 225 L HA 0.285 4.625 4.340 -0.000 0.000 0.283 225 L C 0.263 177.224 176.870 0.152 0.000 1.336 225 L CA -0.330 54.579 54.840 0.116 0.000 0.815 225 L CB 0.829 42.956 42.059 0.114 0.000 1.188 225 L HN 0.345 nan 8.230 nan 0.000 0.551 226 D N -0.303 120.168 120.400 0.119 0.000 2.289 226 D HA -0.056 4.584 4.640 -0.000 0.000 0.207 226 D C 0.706 177.069 176.300 0.106 0.000 0.966 226 D CA 0.696 54.756 54.000 0.100 0.000 0.868 226 D CB 0.472 41.269 40.800 -0.005 0.000 0.943 226 D HN 0.383 nan 8.370 nan 0.000 0.514 227 D N 0.877 121.341 120.400 0.106 0.000 2.350 227 D HA 0.106 4.746 4.640 -0.000 0.000 0.249 227 D C -0.705 175.546 176.300 -0.081 0.000 1.119 227 D CA -0.272 53.770 54.000 0.070 0.000 0.886 227 D CB 1.077 41.944 40.800 0.111 0.000 1.195 227 D HN -0.115 nan 8.370 nan 0.000 0.437 228 L N 3.862 124.934 121.223 -0.251 0.000 2.349 228 L HA 0.461 4.800 4.340 -0.000 0.000 0.278 228 L C -0.867 175.818 176.870 -0.308 0.000 0.996 228 L CA -0.309 54.267 54.840 -0.441 0.000 0.825 228 L CB 1.343 42.930 42.059 -0.786 0.000 1.243 228 L HN 0.349 nan 8.230 nan 0.000 0.412 229 K N 3.440 123.711 120.400 -0.215 0.000 2.439 229 K HA 0.558 4.877 4.320 -0.000 0.000 0.260 229 K C -1.314 175.221 176.600 -0.109 0.000 1.032 229 K CA -1.168 55.041 56.287 -0.131 0.000 0.882 229 K CB 2.596 35.051 32.500 -0.074 0.000 1.420 229 K HN 0.487 nan 8.250 nan 0.000 0.455 230 R N 0.619 121.074 120.500 -0.075 0.000 2.407 230 R HA 0.403 4.742 4.340 -0.000 0.000 0.303 230 R C -0.948 175.322 176.300 -0.049 0.000 0.981 230 R CA -0.133 55.931 56.100 -0.060 0.000 0.905 230 R CB 1.381 31.650 30.300 -0.051 0.000 1.099 230 R HN 0.553 nan 8.270 nan 0.000 0.459 231 S N 0.879 116.550 115.700 -0.048 0.000 2.638 231 S HA 0.480 4.950 4.470 -0.000 0.000 0.302 231 S C -0.595 173.974 174.600 -0.050 0.000 1.096 231 S CA -0.697 57.477 58.200 -0.043 0.000 0.953 231 S CB 1.871 65.047 63.200 -0.039 0.000 1.107 231 S HN 0.821 nan 8.310 nan 0.000 0.503 232 G N -0.168 108.605 108.800 -0.045 0.000 2.225 232 G HA2 0.388 4.348 3.960 -0.000 0.000 0.245 232 G HA3 0.388 4.348 3.960 -0.000 0.000 0.245 232 G C 1.138 176.003 174.900 -0.058 0.000 1.249 232 G CA 0.407 45.478 45.100 -0.048 0.000 0.919 232 G HN 1.537 nan 8.290 nan 0.000 0.486 233 G N 0.827 109.591 108.800 -0.061 0.000 2.195 233 G HA2 0.148 4.108 3.960 -0.000 0.000 0.246 233 G HA3 0.148 4.108 3.960 -0.000 0.000 0.246 233 G C 0.606 175.455 174.900 -0.085 0.000 0.984 233 G CA 0.577 45.636 45.100 -0.069 0.000 0.633 233 G HN 1.972 nan 8.290 nan 0.000 0.525 234 A N 0.155 122.924 122.820 -0.085 0.000 2.306 234 A HA 0.790 5.109 4.320 -0.000 0.000 0.314 234 A C 1.206 178.742 177.584 -0.081 0.000 1.164 234 A CA 0.501 52.483 52.037 -0.092 0.000 0.822 234 A CB 0.628 19.574 19.000 -0.089 0.000 1.130 234 A HN 0.945 nan 8.150 nan 0.000 0.496 235 R N 1.147 121.595 120.500 -0.086 0.000 2.223 235 R HA 0.283 4.622 4.340 -0.000 0.000 0.198 235 R C -0.322 175.925 176.300 -0.088 0.000 0.984 235 R CA 0.636 56.662 56.100 -0.124 0.000 1.018 235 R CB -0.175 29.989 30.300 -0.227 0.000 0.945 235 R HN 0.390 nan 8.270 nan 0.000 0.479 236 V N 0.861 120.763 119.914 -0.020 0.000 3.158 236 V HA 0.229 4.349 4.120 -0.000 0.000 0.311 236 V C -1.268 174.830 176.094 0.008 0.000 1.181 236 V CA -1.109 61.203 62.300 0.019 0.000 1.054 236 V CB 2.083 33.972 31.823 0.110 0.000 1.085 236 V HN 0.004 nan 8.190 nan 0.000 0.446 237 D N 1.091 121.487 120.400 -0.007 0.000 2.339 237 D HA 0.433 5.073 4.640 -0.000 0.000 0.256 237 D C 0.487 176.753 176.300 -0.056 0.000 1.214 237 D CA 0.294 54.259 54.000 -0.057 0.000 0.877 237 D CB 0.838 41.577 40.800 -0.102 0.000 1.111 237 D HN 0.438 nan 8.370 nan 0.000 0.478 238 R N 0.769 121.237 120.500 -0.054 0.000 2.539 238 R HA 0.087 4.427 4.340 -0.000 0.000 0.342 238 R C -0.348 175.971 176.300 0.032 0.000 0.941 238 R CA -0.074 56.041 56.100 0.026 0.000 1.146 238 R CB 0.832 31.181 30.300 0.082 0.000 1.541 238 R HN 0.262 nan 8.270 nan 0.000 0.525 239 T N 1.420 115.937 114.554 -0.061 0.000 2.728 239 T HA 0.250 4.599 4.350 -0.000 0.000 0.296 239 T C -0.950 173.705 174.700 -0.075 0.000 0.940 239 T CA -0.175 61.937 62.100 0.020 0.000 1.013 239 T CB 0.659 69.521 68.868 -0.009 0.000 0.912 239 T HN 0.125 nan 8.240 nan 0.000 0.484 240 H N 2.487 121.576 119.070 0.032 0.000 2.488 240 H HA 0.626 5.182 4.556 -0.000 0.000 0.322 240 H C 0.406 175.757 175.328 0.038 0.000 1.078 240 H CA -0.510 55.557 56.048 0.031 0.000 1.260 240 H CB 0.878 30.668 29.762 0.046 0.000 1.425 240 H HN 0.368 nan 8.280 nan 0.000 0.471 241 R N 2.939 123.514 120.500 0.125 0.000 2.837 241 R HA 0.375 4.715 4.340 -0.000 0.000 0.271 241 R C -2.890 173.471 176.300 0.100 0.000 0.993 241 R CA -2.303 53.852 56.100 0.092 0.000 0.931 241 R CB 1.809 32.144 30.300 0.058 0.000 1.206 241 R HN 0.434 nan 8.270 nan 0.000 0.474 242 P HA -0.068 nan 4.420 nan 0.000 0.265 242 P C 0.051 177.435 177.300 0.140 0.000 1.193 242 P CA 0.318 63.476 63.100 0.097 0.000 0.765 242 P CB 0.402 32.141 31.700 0.064 0.000 0.823 243 H N 2.129 121.222 119.070 0.038 0.000 2.472 243 H HA -0.154 4.401 4.556 -0.000 0.000 0.295 243 H C 1.140 176.484 175.328 0.026 0.000 1.051 243 H CA 1.711 57.781 56.048 0.036 0.000 1.138 243 H CB -0.280 29.503 29.762 0.035 0.000 1.404 243 H HN 0.546 nan 8.280 nan 0.000 0.603 244 G N -1.944 106.788 108.800 -0.114 0.000 3.099 244 G HA2 0.442 4.402 3.960 -0.000 0.000 0.151 244 G HA3 0.442 4.402 3.960 -0.000 0.000 0.151 244 G C 0.165 175.040 174.900 -0.042 0.000 1.265 244 G CA 0.054 45.062 45.100 -0.153 0.000 0.981 244 G HN 0.894 nan 8.290 nan 0.000 0.601 245 G N -0.352 108.423 108.800 -0.042 0.000 2.550 245 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.277 245 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.277 245 G C 0.212 175.114 174.900 0.004 0.000 1.190 245 G CA 0.534 45.628 45.100 -0.010 0.000 0.971 245 G HN 0.762 nan 8.290 nan 0.000 0.559 246 K N 0.803 121.212 120.400 0.016 0.000 2.219 246 K HA 0.483 4.803 4.320 -0.000 0.000 0.258 246 K C 0.969 177.583 176.600 0.024 0.000 1.008 246 K CA 0.190 56.492 56.287 0.024 0.000 0.928 246 K CB 0.431 32.948 32.500 0.028 0.000 0.983 246 K HN 0.534 nan 8.250 nan 0.000 0.484 247 S N 0.884 116.597 115.700 0.021 0.000 2.550 247 S HA -0.102 4.368 4.470 -0.000 0.000 0.285 247 S C 1.454 176.072 174.600 0.029 0.000 1.326 247 S CA 0.002 58.213 58.200 0.018 0.000 1.037 247 S CB 0.577 63.775 63.200 -0.004 0.000 0.838 247 S HN 0.766 nan 8.310 nan 0.000 0.519 248 S N 2.191 117.913 115.700 0.036 0.000 2.402 248 S HA -0.062 4.408 4.470 -0.000 0.000 0.229 248 S C 2.060 176.689 174.600 0.049 0.000 1.021 248 S CA 0.797 59.026 58.200 0.048 0.000 0.974 248 S CB -1.048 62.188 63.200 0.060 0.000 0.800 248 S HN 0.851 nan 8.310 nan 0.000 0.484 249 G N 3.161 111.990 108.800 0.049 0.000 2.514 249 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.217 249 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.217 249 G C -0.703 174.235 174.900 0.063 0.000 1.198 249 G CA 1.114 46.251 45.100 0.062 0.000 0.780 249 G HN 0.508 nan 8.290 nan 0.000 0.565 250 P HA -0.001 nan 4.420 nan 0.000 0.216 250 P C 1.588 178.907 177.300 0.032 0.000 1.153 250 P CA 1.465 64.603 63.100 0.065 0.000 0.844 250 P CB 0.071 31.820 31.700 0.082 0.000 0.787 251 E N 0.083 120.299 120.200 0.026 0.000 2.033 251 E HA -0.198 4.152 4.350 -0.000 0.000 0.199 251 E C 1.876 178.471 176.600 -0.008 0.000 1.011 251 E CA 1.536 57.942 56.400 0.009 0.000 0.815 251 E CB -1.153 28.557 29.700 0.017 0.000 0.755 251 E HN 0.113 nan 8.360 nan 0.000 0.451 252 I N 0.072 120.647 120.570 0.009 0.000 2.179 252 I HA -0.242 3.927 4.170 -0.000 0.000 0.242 252 I C 2.036 178.132 176.117 -0.035 0.000 1.088 252 I CA 0.642 61.940 61.300 -0.003 0.000 1.357 252 I CB -0.245 37.778 38.000 0.038 0.000 1.051 252 I HN 0.228 nan 8.210 nan 0.000 0.409 253 I N 0.491 121.053 120.570 -0.012 0.000 2.353 253 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 253 I C 2.070 178.114 176.117 -0.123 0.000 1.119 253 I CA 1.460 62.734 61.300 -0.044 0.000 1.417 253 I CB -1.252 36.791 38.000 0.073 0.000 1.078 253 I HN 0.217 nan 8.210 nan 0.000 0.421 254 D N 0.537 120.897 120.400 -0.067 0.000 2.123 254 D HA -0.145 4.495 4.640 -0.000 0.000 0.196 254 D C 2.163 178.385 176.300 -0.131 0.000 0.992 254 D CA 1.589 55.540 54.000 -0.081 0.000 0.833 254 D CB -0.245 40.530 40.800 -0.043 0.000 0.954 254 D HN 0.237 nan 8.370 nan 0.000 0.455 255 T N 0.707 115.182 114.554 -0.133 0.000 2.777 255 T HA -0.021 4.328 4.350 -0.000 0.000 0.266 255 T C 2.205 176.766 174.700 -0.232 0.000 1.040 255 T CA 0.533 62.539 62.100 -0.158 0.000 1.141 255 T CB -0.168 68.613 68.868 -0.145 0.000 0.868 255 T HN 0.101 nan 8.240 nan 0.000 0.444 256 L N 0.241 121.280 121.223 -0.307 0.000 2.109 256 L HA 0.027 4.367 4.340 -0.000 0.000 0.207 256 L C 2.824 179.249 176.870 -0.743 0.000 1.086 256 L CA 1.100 55.671 54.840 -0.449 0.000 0.760 256 L CB -0.431 41.371 42.059 -0.429 0.000 0.910 256 L HN 0.110 nan 8.230 nan 0.000 0.437 257 R N 0.297 120.327 120.500 -0.784 0.000 2.080 257 R HA -0.158 4.182 4.340 -0.000 0.000 0.236 257 R C 2.342 178.523 176.300 -0.199 0.000 1.137 257 R CA 1.394 57.174 56.100 -0.534 0.000 0.943 257 R CB -0.281 29.893 30.300 -0.209 0.000 0.846 257 R HN 0.309 nan 8.270 nan 0.000 0.431 258 K N 0.326 120.630 120.400 -0.160 0.000 2.026 258 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 258 K C 2.195 178.749 176.600 -0.077 0.000 1.048 258 K CA 1.381 57.617 56.287 -0.085 0.000 0.929 258 K CB -0.200 32.255 32.500 -0.075 0.000 0.713 258 K HN 0.161 nan 8.250 nan 0.000 0.439 259 A N 1.497 124.246 122.820 -0.118 0.000 2.019 259 A HA -0.063 4.256 4.320 -0.000 0.000 0.219 259 A C 2.315 179.896 177.584 -0.004 0.000 1.164 259 A CA 1.704 53.693 52.037 -0.080 0.000 0.644 259 A CB -0.435 18.481 19.000 -0.139 0.000 0.805 259 A HN 0.342 nan 8.150 nan 0.000 0.449 260 A N -0.270 122.561 122.820 0.020 0.000 1.930 260 A HA -0.050 4.270 4.320 -0.000 0.000 0.215 260 A C 2.110 179.765 177.584 0.119 0.000 1.176 260 A CA 1.607 53.734 52.037 0.149 0.000 0.632 260 A CB -0.357 18.862 19.000 0.364 0.000 0.819 260 A HN 0.491 nan 8.150 nan 0.000 0.445 261 K N 0.107 120.559 120.400 0.086 0.000 2.057 261 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 261 K C 1.752 178.380 176.600 0.048 0.000 1.049 261 K CA 1.679 58.008 56.287 0.070 0.000 0.931 261 K CB -0.179 32.356 32.500 0.058 0.000 0.714 261 K HN 0.603 nan 8.250 nan 0.000 0.440 262 E N 0.070 120.287 120.200 0.029 0.000 2.153 262 E HA -0.155 4.194 4.350 -0.000 0.000 0.194 262 E C 1.703 178.324 176.600 0.036 0.000 0.988 262 E CA 0.789 57.202 56.400 0.023 0.000 0.811 262 E CB 0.172 29.874 29.700 0.004 0.000 0.746 262 E HN 0.292 nan 8.360 nan 0.000 0.466 263 Q N -0.643 119.188 119.800 0.052 0.000 2.320 263 Q HA 0.071 4.410 4.340 -0.000 0.000 0.201 263 Q C 0.946 176.985 176.000 0.065 0.000 0.910 263 Q CA 0.624 56.464 55.803 0.062 0.000 0.946 263 Q CB 1.185 29.974 28.738 0.086 0.000 1.062 263 Q HN 0.419 nan 8.270 nan 0.000 0.503 264 G N 1.679 110.517 108.800 0.063 0.000 2.153 264 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 264 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 264 G C 0.224 175.168 174.900 0.073 0.000 0.994 264 G CA 0.063 45.200 45.100 0.062 0.000 0.698 264 G HN 0.392 nan 8.290 nan 0.000 0.521 265 I N 1.710 122.337 120.570 0.094 0.000 2.347 265 I HA 0.236 4.406 4.170 -0.000 0.000 0.294 265 I C -0.413 175.775 176.117 0.119 0.000 1.090 265 I CA -0.533 60.831 61.300 0.106 0.000 1.314 265 I CB 0.533 38.616 38.000 0.138 0.000 1.423 265 I HN -0.070 nan 8.210 nan 0.000 0.503 266 D N 4.271 124.727 120.400 0.095 0.000 2.210 266 D HA 0.121 4.761 4.640 -0.000 0.000 0.249 266 D C 0.351 176.704 176.300 0.088 0.000 1.078 266 D CA -0.207 53.853 54.000 0.100 0.000 0.875 266 D CB 1.570 42.416 40.800 0.078 0.000 1.175 266 D HN 0.351 nan 8.370 nan 0.000 0.440 267 T N 1.533 116.146 114.554 0.098 0.000 2.901 267 T HA 0.095 4.445 4.350 -0.000 0.000 0.301 267 T C 0.252 174.977 174.700 0.042 0.000 1.012 267 T CA -0.346 61.776 62.100 0.037 0.000 1.135 267 T CB 0.293 69.166 68.868 0.009 0.000 0.936 267 T HN 0.219 nan 8.240 nan 0.000 0.539 268 R N 4.846 125.363 120.500 0.029 0.000 2.216 268 R HA 0.427 4.766 4.340 -0.000 0.000 0.332 268 R C -0.138 176.176 176.300 0.024 0.000 1.056 268 R CA -0.463 55.659 56.100 0.038 0.000 0.901 268 R CB 0.262 30.596 30.300 0.058 0.000 1.039 268 R HN 0.643 nan 8.270 nan 0.000 0.456 269 L N 3.004 124.240 121.223 0.021 0.000 2.431 269 L HA 0.226 4.566 4.340 -0.000 0.000 0.260 269 L C 0.596 177.447 176.870 -0.031 0.000 1.098 269 L CA -0.761 54.087 54.840 0.013 0.000 0.800 269 L CB 0.688 42.769 42.059 0.036 0.000 1.210 269 L HN 0.813 nan 8.230 nan 0.000 0.465 270 N N 0.330 119.018 118.700 -0.020 0.000 2.707 270 N HA -0.176 4.564 4.740 -0.000 0.000 0.253 270 N C -0.799 174.563 175.510 -0.247 0.000 0.998 270 N CA 0.734 53.718 53.050 -0.110 0.000 0.751 270 N CB -1.101 37.128 38.487 -0.430 0.000 0.920 270 N HN 0.468 nan 8.380 nan 0.000 0.539 271 S N 0.370 116.079 115.700 0.014 0.000 2.664 271 S HA 0.251 4.721 4.470 -0.000 0.000 0.262 271 S C 0.262 174.935 174.600 0.122 0.000 1.229 271 S CA -0.771 57.453 58.200 0.040 0.000 1.151 271 S CB 1.983 65.207 63.200 0.041 0.000 1.054 271 S HN 0.300 nan 8.310 nan 0.000 0.483 272 R N 2.903 123.530 120.500 0.211 0.000 2.221 272 R HA 0.440 4.780 4.340 -0.000 0.000 0.327 272 R C -0.727 175.625 176.300 0.087 0.000 1.033 272 R CA -0.311 55.872 56.100 0.139 0.000 0.887 272 R CB 0.478 30.849 30.300 0.118 0.000 1.057 272 R HN 0.379 nan 8.270 nan 0.000 0.455 273 V N 6.417 126.364 119.914 0.056 0.000 2.508 273 V HA 0.016 4.135 4.120 -0.000 0.000 0.281 273 V C 1.076 177.226 176.094 0.093 0.000 1.041 273 V CA 0.115 62.444 62.300 0.047 0.000 1.016 273 V CB 1.384 33.225 31.823 0.029 0.000 0.984 273 V HN 0.817 nan 8.190 nan 0.000 0.478 274 V N 1.692 121.690 119.914 0.140 0.000 3.548 274 V HA 0.509 4.628 4.120 -0.000 0.000 0.279 274 V C 0.295 176.545 176.094 0.261 0.000 1.446 274 V CA 0.175 62.615 62.300 0.233 0.000 1.023 274 V CB -0.128 31.912 31.823 0.361 0.000 0.820 274 V HN 0.744 nan 8.190 nan 0.000 0.438 275 K N 0.641 121.148 120.400 0.177 0.000 2.572 275 K HA 0.593 4.913 4.320 -0.000 0.000 0.263 275 K C -1.750 174.905 176.600 0.093 0.000 0.932 275 K CA -0.737 55.648 56.287 0.164 0.000 0.838 275 K CB 2.488 35.108 32.500 0.199 0.000 1.366 275 K HN 0.273 nan 8.250 nan 0.000 0.425 276 L N 3.297 124.564 121.223 0.073 0.000 2.312 276 L HA 0.473 4.813 4.340 -0.000 0.000 0.281 276 L C -0.354 176.546 176.870 0.051 0.000 1.070 276 L CA -1.155 53.715 54.840 0.051 0.000 0.805 276 L CB 1.625 43.705 42.059 0.036 0.000 1.174 276 L HN 0.254 nan 8.230 nan 0.000 0.434 277 V N 4.077 124.016 119.914 0.043 0.000 2.370 277 V HA 0.351 4.471 4.120 -0.000 0.000 0.279 277 V C 0.131 176.246 176.094 0.035 0.000 1.029 277 V CA -0.567 61.755 62.300 0.038 0.000 0.870 277 V CB 1.698 33.541 31.823 0.033 0.000 0.984 277 V HN 0.421 nan 8.190 nan 0.000 0.451 278 V N 5.456 125.388 119.914 0.031 0.000 2.547 278 V HA 0.439 4.559 4.120 -0.000 0.000 0.299 278 V C 0.309 176.409 176.094 0.009 0.000 1.040 278 V CA -0.772 61.544 62.300 0.027 0.000 0.913 278 V CB 1.997 33.843 31.823 0.039 0.000 0.992 278 V HN 1.060 nan 8.190 nan 0.000 0.449 279 N N 2.396 121.097 118.700 0.003 0.000 2.386 279 N HA 0.106 4.845 4.740 -0.000 0.000 0.291 279 N C 0.405 175.881 175.510 -0.057 0.000 1.309 279 N CA -0.244 52.798 53.050 -0.015 0.000 0.948 279 N CB 0.173 38.658 38.487 -0.003 0.000 1.083 279 N HN 0.554 nan 8.380 nan 0.000 0.527 280 D N -2.346 118.012 120.400 -0.069 0.000 2.348 280 D HA 0.014 4.653 4.640 -0.000 0.000 0.211 280 D C -0.358 175.831 176.300 -0.185 0.000 0.998 280 D CA 0.483 54.409 54.000 -0.124 0.000 0.873 280 D CB -0.018 40.730 40.800 -0.086 0.000 0.925 280 D HN 0.456 nan 8.370 nan 0.000 0.524 281 D N -0.482 119.849 120.400 -0.116 0.000 2.706 281 D HA 0.018 4.658 4.640 -0.000 0.000 0.236 281 D C -0.534 175.743 176.300 -0.038 0.000 1.231 281 D CA -0.258 53.685 54.000 -0.094 0.000 0.828 281 D CB -0.755 40.042 40.800 -0.006 0.000 1.015 281 D HN 0.264 nan 8.370 nan 0.000 0.484 282 H N -1.615 117.458 119.070 0.005 0.000 2.791 282 H HA -0.168 4.388 4.556 -0.000 0.000 0.302 282 H C -0.401 174.926 175.328 -0.002 0.000 1.198 282 H CA 0.832 56.879 56.048 -0.001 0.000 1.145 282 H CB -1.482 28.276 29.762 -0.007 0.000 1.385 282 H HN -0.028 nan 8.280 nan 0.000 0.409 283 S N 0.255 116.001 115.700 0.076 0.000 2.454 283 S HA 0.439 4.909 4.470 -0.000 0.000 0.306 283 S C 0.294 174.922 174.600 0.048 0.000 1.100 283 S CA -0.837 57.400 58.200 0.063 0.000 1.087 283 S CB 1.906 65.145 63.200 0.066 0.000 1.019 283 S HN 0.203 nan 8.310 nan 0.000 0.480 284 V N 4.382 124.318 119.914 0.035 0.000 2.508 284 V HA 0.150 4.270 4.120 -0.000 0.000 0.281 284 V C 0.859 176.987 176.094 0.058 0.000 1.041 284 V CA 0.064 62.385 62.300 0.034 0.000 1.016 284 V CB 1.093 32.923 31.823 0.012 0.000 0.984 284 V HN 0.823 nan 8.190 nan 0.000 0.478 285 V N 1.820 121.766 119.914 0.054 0.000 3.166 285 V HA 0.875 4.995 4.120 -0.000 0.000 0.332 285 V C 0.459 176.587 176.094 0.057 0.000 1.434 285 V CA 0.540 62.877 62.300 0.062 0.000 1.121 285 V CB -0.201 31.653 31.823 0.051 0.000 1.062 285 V HN 1.197 nan 8.190 nan 0.000 0.489 286 G N -0.569 108.263 108.800 0.053 0.000 2.332 286 G HA2 0.665 4.625 3.960 -0.000 0.000 0.265 286 G HA3 0.665 4.625 3.960 -0.000 0.000 0.265 286 G C -0.959 173.963 174.900 0.035 0.000 1.329 286 G CA 0.187 45.316 45.100 0.048 0.000 0.949 286 G HN 1.694 nan 8.290 nan 0.000 0.476 287 A N -1.671 121.159 122.820 0.018 0.000 2.594 287 A HA 0.734 5.054 4.320 -0.000 0.000 0.296 287 A C -1.061 176.509 177.584 -0.025 0.000 1.056 287 A CA 0.010 52.054 52.037 0.011 0.000 0.693 287 A CB 1.341 20.348 19.000 0.011 0.000 1.278 287 A HN 1.869 nan 8.150 nan 0.000 0.408 288 V N 1.647 121.561 119.914 -0.001 0.000 2.432 288 V HA 0.441 4.561 4.120 -0.000 0.000 0.275 288 V C 0.042 176.108 176.094 -0.048 0.000 1.043 288 V CA -0.427 61.861 62.300 -0.021 0.000 0.925 288 V CB 1.235 33.102 31.823 0.073 0.000 0.985 288 V HN 0.649 nan 8.190 nan 0.000 0.466 289 V N 4.704 124.474 119.914 -0.241 0.000 2.394 289 V HA 0.292 4.412 4.120 -0.000 0.000 0.282 289 V C 0.106 176.096 176.094 -0.172 0.000 1.031 289 V CA -0.594 61.536 62.300 -0.284 0.000 0.881 289 V CB 1.186 32.606 31.823 -0.672 0.000 0.982 289 V HN 0.920 nan 8.190 nan 0.000 0.451 290 H N 3.864 122.799 119.070 -0.225 0.000 2.690 290 H HA 0.526 5.082 4.556 -0.000 0.000 0.289 290 H C 0.339 175.630 175.328 -0.062 0.000 1.089 290 H CA -0.512 55.300 56.048 -0.394 0.000 1.299 290 H CB 0.873 30.269 29.762 -0.610 0.000 1.405 290 H HN 0.821 nan 8.280 nan 0.000 0.463 291 G N 3.980 112.798 108.800 0.030 0.000 2.377 291 G HA2 0.028 3.988 3.960 -0.000 0.000 0.299 291 G HA3 0.028 3.988 3.960 -0.000 0.000 0.299 291 G C 0.755 175.367 174.900 -0.480 0.000 1.150 291 G CA -0.723 44.276 45.100 -0.169 0.000 0.847 291 G HN 0.762 nan 8.290 nan 0.000 0.501 292 K N 0.692 120.426 120.400 -1.110 0.000 2.063 292 K HA -0.164 4.155 4.320 -0.000 0.000 0.208 292 K C 1.613 177.783 176.600 -0.716 0.000 1.048 292 K CA 1.732 57.209 56.287 -1.349 0.000 0.928 292 K CB -0.097 31.231 32.500 -1.952 0.000 0.713 292 K HN 0.760 nan 8.250 nan 0.000 0.442 293 H N -1.642 117.268 119.070 -0.265 0.000 2.476 293 H HA 0.027 4.583 4.556 -0.000 0.000 0.292 293 H C 2.014 177.312 175.328 -0.049 0.000 1.019 293 H CA 1.398 57.377 56.048 -0.116 0.000 1.330 293 H CB 0.513 30.210 29.762 -0.109 0.000 1.451 293 H HN 0.391 nan 8.280 nan 0.000 0.535 294 T N -2.054 112.527 114.554 0.046 0.000 3.054 294 T HA 0.339 4.688 4.350 -0.000 0.000 0.259 294 T C 1.347 176.112 174.700 0.108 0.000 1.092 294 T CA 0.496 62.620 62.100 0.039 0.000 1.121 294 T CB 0.071 68.906 68.868 -0.055 0.000 0.912 294 T HN 0.576 nan 8.240 nan 0.000 0.489 295 G N 0.824 109.719 108.800 0.158 0.000 2.508 295 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.220 295 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.220 295 G C -0.996 174.051 174.900 0.245 0.000 1.287 295 G CA -0.477 44.761 45.100 0.230 0.000 0.916 295 G HN 0.468 nan 8.290 nan 0.000 0.574 296 Y N 1.017 121.434 120.300 0.195 0.000 2.308 296 Y HA 0.652 5.202 4.550 -0.001 0.000 0.329 296 Y C 0.719 176.760 175.900 0.235 0.000 1.111 296 Y CA 0.672 58.863 58.100 0.151 0.000 1.179 296 Y CB 1.237 39.692 38.460 -0.008 0.000 1.201 296 Y HN 0.871 nan 8.280 nan 0.000 0.483 297 Y N 0.329 120.733 120.300 0.173 0.000 2.689 297 Y HA 0.645 5.195 4.550 -0.000 0.000 0.333 297 Y C -1.531 174.427 175.900 0.096 0.000 1.208 297 Y CA -2.176 55.989 58.100 0.108 0.000 1.055 297 Y CB 1.451 39.954 38.460 0.073 0.000 1.304 297 Y HN 0.557 nan 8.280 nan 0.000 0.455 298 M N 3.202 122.886 119.600 0.140 0.000 2.383 298 M HA 0.709 5.189 4.480 -0.000 0.000 0.325 298 M C -2.122 174.242 176.300 0.105 0.000 1.092 298 M CA -0.654 54.663 55.300 0.027 0.000 0.961 298 M CB 1.463 34.095 32.600 0.053 0.000 1.672 298 M HN 0.731 nan 8.290 nan 0.000 0.438 299 I N 3.792 124.378 120.570 0.026 0.000 2.354 299 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 299 I C 0.509 176.665 176.117 0.064 0.000 0.989 299 I CA -0.696 60.656 61.300 0.087 0.000 1.188 299 I CB 1.749 39.792 38.000 0.072 0.000 1.342 299 I HN 0.847 nan 8.210 nan 0.000 0.457 300 G N 4.346 113.190 108.800 0.073 0.000 2.412 300 G HA2 0.793 4.753 3.960 -0.000 0.000 0.318 300 G HA3 0.793 4.753 3.960 -0.000 0.000 0.318 300 G C -1.057 173.882 174.900 0.066 0.000 1.146 300 G CA -0.399 44.738 45.100 0.062 0.000 0.882 300 G HN 0.809 nan 8.290 nan 0.000 0.501 301 A N 1.436 124.298 122.820 0.070 0.000 2.577 301 A HA 0.597 4.917 4.320 -0.000 0.000 0.297 301 A C 0.511 178.155 177.584 0.102 0.000 1.060 301 A CA -0.621 51.465 52.037 0.082 0.000 0.697 301 A CB 1.382 20.432 19.000 0.083 0.000 1.281 301 A HN 0.596 nan 8.150 nan 0.000 0.402 302 K N 0.298 120.767 120.400 0.115 0.000 2.167 302 K HA 0.126 4.446 4.320 -0.000 0.000 0.203 302 K C 0.224 176.984 176.600 0.267 0.000 1.052 302 K CA 1.287 57.672 56.287 0.163 0.000 0.956 302 K CB 0.091 32.664 32.500 0.122 0.000 0.735 302 K HN 0.540 nan 8.250 nan 0.000 0.451 303 S N 0.183 116.022 115.700 0.232 0.000 2.536 303 S HA 0.432 4.902 4.470 -0.000 0.000 0.287 303 S C -1.060 173.659 174.600 0.199 0.000 1.101 303 S CA -0.850 57.521 58.200 0.285 0.000 0.950 303 S CB 2.683 66.075 63.200 0.320 0.000 1.056 303 S HN -0.165 nan 8.310 nan 0.000 0.481 304 V N 2.773 122.815 119.914 0.212 0.000 2.483 304 V HA 0.496 4.616 4.120 -0.000 0.000 0.297 304 V C -0.797 175.413 176.094 0.194 0.000 1.027 304 V CA -0.653 61.735 62.300 0.147 0.000 0.855 304 V CB 1.754 33.633 31.823 0.093 0.000 0.995 304 V HN 0.681 nan 8.190 nan 0.000 0.424 305 V N 6.240 126.245 119.914 0.152 0.000 2.334 305 V HA 0.401 4.521 4.120 -0.000 0.000 0.281 305 V C 0.044 176.197 176.094 0.098 0.000 1.016 305 V CA -0.516 61.880 62.300 0.159 0.000 0.832 305 V CB 1.528 33.420 31.823 0.115 0.000 0.999 305 V HN 0.659 nan 8.190 nan 0.000 0.439 306 L N 4.519 125.795 121.223 0.089 0.000 2.418 306 L HA 0.478 4.817 4.340 -0.000 0.000 0.274 306 L C 0.782 177.690 176.870 0.064 0.000 1.135 306 L CA 0.173 55.049 54.840 0.060 0.000 0.870 306 L CB 0.794 42.880 42.059 0.045 0.000 1.154 306 L HN 0.785 nan 8.230 nan 0.000 0.462 307 A N 1.865 124.716 122.820 0.051 0.000 2.843 307 A HA 0.168 4.488 4.320 -0.000 0.000 0.248 307 A C 0.738 178.348 177.584 0.044 0.000 0.904 307 A CA -0.247 51.825 52.037 0.059 0.000 1.091 307 A CB 0.424 19.458 19.000 0.056 0.000 1.208 307 A HN 0.656 nan 8.150 nan 0.000 0.476 308 T N -0.299 114.277 114.554 0.038 0.000 3.169 308 T HA 0.439 4.789 4.350 -0.000 0.000 0.250 308 T C 1.117 175.832 174.700 0.026 0.000 1.111 308 T CA 1.754 63.870 62.100 0.026 0.000 1.010 308 T CB -0.619 68.263 68.868 0.024 0.000 0.984 308 T HN 2.071 nan 8.240 nan 0.000 0.537 309 G N -0.374 108.445 108.800 0.032 0.000 2.632 309 G HA2 0.115 4.075 3.960 -0.000 0.000 0.224 309 G HA3 0.115 4.075 3.960 -0.000 0.000 0.224 309 G C 0.184 175.077 174.900 -0.012 0.000 1.341 309 G CA -0.520 44.587 45.100 0.012 0.000 0.880 309 G HN 0.761 nan 8.290 nan 0.000 0.566 310 G N -2.188 106.571 108.800 -0.067 0.000 2.702 310 G HA2 0.720 4.680 3.960 -0.000 0.000 0.254 310 G HA3 0.720 4.680 3.960 -0.000 0.000 0.254 310 G C 0.157 175.052 174.900 -0.009 0.000 1.380 310 G CA 0.486 45.514 45.100 -0.119 0.000 1.042 310 G HN 1.871 nan 8.290 nan 0.000 0.557 311 Y N -2.190 118.071 120.300 -0.066 0.000 2.719 311 Y HA 0.492 5.042 4.550 -0.001 0.000 0.251 311 Y C 1.551 177.437 175.900 -0.024 0.000 1.159 311 Y CA -0.390 57.693 58.100 -0.028 0.000 1.166 311 Y CB 0.133 38.603 38.460 0.016 0.000 1.219 311 Y HN 0.443 nan 8.280 nan 0.000 0.551 312 G N 0.932 109.643 108.800 -0.148 0.000 2.534 312 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.217 312 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.217 312 G C 1.105 175.987 174.900 -0.030 0.000 1.128 312 G CA 0.444 45.467 45.100 -0.128 0.000 0.784 312 G HN 0.333 nan 8.290 nan 0.000 0.542 313 M N 0.327 119.921 119.600 -0.011 0.000 2.383 313 M HA 0.177 4.656 4.480 -0.000 0.000 0.247 313 M C 0.247 176.553 176.300 0.010 0.000 1.117 313 M CA -0.203 55.090 55.300 -0.010 0.000 0.995 313 M CB -0.539 32.043 32.600 -0.030 0.000 1.480 313 M HN 0.162 nan 8.290 nan 0.000 0.485 314 N N 1.401 120.136 118.700 0.058 0.000 2.437 314 N HA 0.090 4.829 4.740 -0.000 0.000 0.243 314 N C 0.851 176.389 175.510 0.047 0.000 1.041 314 N CA -0.062 53.014 53.050 0.045 0.000 0.940 314 N CB 0.971 39.501 38.487 0.071 0.000 1.133 314 N HN 0.057 nan 8.380 nan 0.000 0.506 315 K N 1.796 122.200 120.400 0.006 0.000 2.147 315 K HA -0.208 4.112 4.320 -0.000 0.000 0.205 315 K C 1.392 177.985 176.600 -0.013 0.000 1.049 315 K CA 1.093 57.379 56.287 -0.001 0.000 0.936 315 K CB 0.145 32.633 32.500 -0.020 0.000 0.722 315 K HN 0.663 nan 8.250 nan 0.000 0.446 316 E N 0.847 121.024 120.200 -0.040 0.000 2.076 316 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 316 E C 1.998 178.537 176.600 -0.101 0.000 0.979 316 E CA 0.734 57.092 56.400 -0.070 0.000 0.807 316 E CB 0.089 29.724 29.700 -0.109 0.000 0.761 316 E HN 0.199 nan 8.360 nan 0.000 0.454 317 M N 0.536 120.067 119.600 -0.114 0.000 2.086 317 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 317 M C 2.252 178.529 176.300 -0.039 0.000 1.067 317 M CA 1.065 56.235 55.300 -0.217 0.000 1.116 317 M CB -0.192 32.291 32.600 -0.195 0.000 1.348 317 M HN 0.213 nan 8.290 nan 0.000 0.407 318 I N 0.672 121.334 120.570 0.152 0.000 2.163 318 I HA -0.258 3.911 4.170 -0.000 0.000 0.243 318 I C 2.712 178.869 176.117 0.067 0.000 1.085 318 I CA 1.811 63.223 61.300 0.187 0.000 1.347 318 I CB -1.569 36.504 38.000 0.122 0.000 1.044 318 I HN 0.252 nan 8.210 nan 0.000 0.408 319 A N -0.473 122.354 122.820 0.011 0.000 1.972 319 A HA -0.264 4.055 4.320 -0.000 0.000 0.219 319 A C 2.315 179.862 177.584 -0.061 0.000 1.169 319 A CA 1.372 53.395 52.037 -0.024 0.000 0.635 319 A CB -0.929 18.059 19.000 -0.020 0.000 0.810 319 A HN 0.454 nan 8.150 nan 0.000 0.446 320 Y N -1.590 118.585 120.300 -0.209 0.000 2.243 320 Y HA -0.111 4.439 4.550 -0.000 0.000 0.293 320 Y C 2.028 177.789 175.900 -0.231 0.000 1.124 320 Y CA 1.674 59.597 58.100 -0.294 0.000 1.159 320 Y CB -0.108 38.045 38.460 -0.510 0.000 1.008 320 Y HN 0.386 nan 8.280 nan 0.000 0.527 321 Y N -0.951 119.340 120.300 -0.015 0.000 2.347 321 Y HA 0.191 4.741 4.550 -0.000 0.000 0.294 321 Y C 0.888 176.693 175.900 -0.158 0.000 1.117 321 Y CA 0.651 58.704 58.100 -0.078 0.000 1.184 321 Y CB 0.272 38.736 38.460 0.006 0.000 1.047 321 Y HN -0.224 nan 8.280 nan 0.000 0.546 322 R N 0.252 120.768 120.500 0.026 0.000 2.655 322 R HA 0.217 4.556 4.340 -0.000 0.000 0.261 322 R C -2.395 173.870 176.300 -0.057 0.000 1.624 322 R CA -1.267 54.803 56.100 -0.051 0.000 1.655 322 R CB 0.297 30.578 30.300 -0.031 0.000 1.356 322 R HN 0.090 nan 8.270 nan 0.000 0.684 323 P HA -0.148 nan 4.420 nan 0.000 0.220 323 P C 0.992 178.252 177.300 -0.066 0.000 1.144 323 P CA 1.431 64.480 63.100 -0.084 0.000 0.800 323 P CB 0.120 31.751 31.700 -0.115 0.000 0.772 324 T N -4.794 109.720 114.554 -0.067 0.000 3.113 324 T HA 0.145 4.494 4.350 -0.000 0.000 0.256 324 T C 1.538 176.213 174.700 -0.042 0.000 1.131 324 T CA 0.313 62.380 62.100 -0.055 0.000 1.074 324 T CB -0.750 68.085 68.868 -0.056 0.000 0.944 324 T HN 0.085 nan 8.240 nan 0.000 0.516 325 M N 0.965 120.542 119.600 -0.038 0.000 2.371 325 M HA 0.289 4.768 4.480 -0.000 0.000 0.246 325 M C 1.941 178.231 176.300 -0.017 0.000 1.103 325 M CA 0.058 55.344 55.300 -0.023 0.000 1.010 325 M CB 0.032 32.623 32.600 -0.015 0.000 1.457 325 M HN 0.294 nan 8.290 nan 0.000 0.486 326 K N -0.010 120.376 120.400 -0.023 0.000 2.362 326 K HA -0.088 4.232 4.320 -0.000 0.000 0.200 326 K C 0.418 177.007 176.600 -0.020 0.000 1.046 326 K CA 1.190 57.465 56.287 -0.019 0.000 0.952 326 K CB -0.052 32.433 32.500 -0.026 0.000 0.753 326 K HN 0.229 nan 8.250 nan 0.000 0.466 327 D N 0.579 120.966 120.400 -0.022 0.000 2.363 327 D HA 0.129 4.769 4.640 -0.000 0.000 0.214 327 D C 0.295 176.583 176.300 -0.019 0.000 1.093 327 D CA 0.118 54.104 54.000 -0.022 0.000 0.837 327 D CB 0.217 41.002 40.800 -0.025 0.000 0.948 327 D HN 0.279 nan 8.370 nan 0.000 0.507 328 M N 0.569 120.160 119.600 -0.014 0.000 2.226 328 M HA 0.053 4.532 4.480 -0.000 0.000 0.324 328 M C 1.278 177.569 176.300 -0.015 0.000 1.112 328 M CA 0.287 55.582 55.300 -0.009 0.000 1.176 328 M CB 0.862 33.462 32.600 0.001 0.000 1.430 328 M HN -0.132 nan 8.290 nan 0.000 0.462 329 T N -0.455 114.088 114.554 -0.018 0.000 3.560 329 T HA 0.324 4.674 4.350 -0.000 0.000 0.350 329 T C 0.064 174.754 174.700 -0.017 0.000 1.264 329 T CA -0.769 61.313 62.100 -0.030 0.000 0.924 329 T CB 0.599 69.441 68.868 -0.044 0.000 1.997 329 T HN 0.697 nan 8.240 nan 0.000 0.553 330 S N -1.072 114.614 115.700 -0.023 0.000 2.552 330 S HA 0.407 4.877 4.470 -0.000 0.000 0.272 330 S C 0.411 175.004 174.600 -0.013 0.000 1.150 330 S CA -0.156 58.040 58.200 -0.007 0.000 0.849 330 S CB 1.258 64.442 63.200 -0.026 0.000 1.113 330 S HN 0.805 nan 8.310 nan 0.000 0.458 331 S N 1.948 117.662 115.700 0.024 0.000 2.575 331 S HA 0.243 4.712 4.470 -0.000 0.000 0.215 331 S C 0.460 175.043 174.600 -0.027 0.000 0.966 331 S CA -0.390 57.813 58.200 0.005 0.000 0.911 331 S CB -0.696 62.580 63.200 0.126 0.000 0.780 331 S HN 0.662 nan 8.310 nan 0.000 0.514 332 N N 2.648 121.322 118.700 -0.044 0.000 2.399 332 N HA 0.092 4.832 4.740 -0.000 0.000 0.250 332 N C -0.359 175.126 175.510 -0.042 0.000 1.272 332 N CA -0.369 52.646 53.050 -0.058 0.000 0.928 332 N CB 0.224 38.668 38.487 -0.071 0.000 1.158 332 N HN 0.207 nan 8.380 nan 0.000 0.463 333 N N 1.466 120.155 118.700 -0.018 0.000 2.453 333 N HA -0.011 4.729 4.740 -0.000 0.000 0.253 333 N C 1.054 176.551 175.510 -0.021 0.000 1.252 333 N CA -0.101 52.951 53.050 0.004 0.000 0.917 333 N CB 0.513 39.026 38.487 0.045 0.000 1.117 333 N HN 0.494 nan 8.380 nan 0.000 0.442 334 I N -0.746 119.807 120.570 -0.029 0.000 3.241 334 I HA -0.075 4.095 4.170 -0.000 0.000 0.280 334 I C 1.326 177.417 176.117 -0.043 0.000 1.320 334 I CA 0.822 62.093 61.300 -0.049 0.000 1.413 334 I CB -0.855 37.099 38.000 -0.076 0.000 1.060 334 I HN 0.474 nan 8.210 nan 0.000 0.500 335 T N -1.017 113.518 114.554 -0.032 0.000 3.118 335 T HA 0.268 4.618 4.350 -0.000 0.000 0.260 335 T C 1.097 175.781 174.700 -0.027 0.000 1.139 335 T CA 0.405 62.484 62.100 -0.035 0.000 1.085 335 T CB -0.199 68.651 68.868 -0.031 0.000 0.934 335 T HN 0.447 nan 8.240 nan 0.000 0.518 336 A N 2.212 125.016 122.820 -0.026 0.000 3.094 336 A HA 0.526 4.846 4.320 -0.000 0.000 0.288 336 A C 1.281 178.866 177.584 0.001 0.000 1.519 336 A CA -0.344 51.681 52.037 -0.020 0.000 1.227 336 A CB -0.534 18.438 19.000 -0.047 0.000 1.175 336 A HN 0.486 nan 8.150 nan 0.000 0.568 337 T N -2.706 111.854 114.554 0.009 0.000 3.129 337 T HA 0.428 4.778 4.350 -0.000 0.000 0.267 337 T C 1.202 175.928 174.700 0.043 0.000 1.018 337 T CA 0.713 62.823 62.100 0.017 0.000 0.903 337 T CB -0.027 68.829 68.868 -0.021 0.000 1.067 337 T HN 1.831 nan 8.240 nan 0.000 0.549 338 G N 1.693 110.542 108.800 0.081 0.000 2.143 338 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.248 338 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.248 338 G C 0.489 175.402 174.900 0.021 0.000 0.991 338 G CA 0.287 45.451 45.100 0.107 0.000 0.689 338 G HN 0.506 nan 8.290 nan 0.000 0.522 339 D N 0.388 120.792 120.400 0.006 0.000 2.117 339 D HA -0.053 4.586 4.640 -0.000 0.000 0.197 339 D C 2.499 178.794 176.300 -0.008 0.000 0.987 339 D CA 1.783 55.774 54.000 -0.014 0.000 0.829 339 D CB -0.819 39.978 40.800 -0.005 0.000 0.961 339 D HN 0.550 nan 8.370 nan 0.000 0.460 340 G N 0.716 109.521 108.800 0.010 0.000 2.440 340 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 340 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 340 G C 1.890 176.793 174.900 0.004 0.000 1.154 340 G CA 0.813 45.921 45.100 0.014 0.000 0.767 340 G HN 0.238 nan 8.290 nan 0.000 0.552 341 V N 0.956 120.874 119.914 0.007 0.000 2.295 341 V HA -0.151 3.968 4.120 -0.000 0.000 0.246 341 V C 2.963 179.031 176.094 -0.043 0.000 1.049 341 V CA 1.683 63.976 62.300 -0.012 0.000 1.024 341 V CB -0.439 31.377 31.823 -0.011 0.000 0.648 341 V HN 0.365 nan 8.190 nan 0.000 0.447 342 L N -1.280 119.904 121.223 -0.064 0.000 2.017 342 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 342 L C 2.539 179.357 176.870 -0.087 0.000 1.073 342 L CA 1.873 56.652 54.840 -0.101 0.000 0.745 342 L CB -0.517 41.459 42.059 -0.139 0.000 0.894 342 L HN 0.299 nan 8.230 nan 0.000 0.432 343 M N -0.785 118.782 119.600 -0.055 0.000 2.229 343 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 343 M C 2.467 178.755 176.300 -0.019 0.000 1.063 343 M CA 1.675 56.959 55.300 -0.027 0.000 1.114 343 M CB -0.397 32.207 32.600 0.007 0.000 1.387 343 M HN 0.339 nan 8.290 nan 0.000 0.420 344 A N 0.246 123.052 122.820 -0.022 0.000 1.873 344 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 344 A C 2.145 179.711 177.584 -0.030 0.000 1.186 344 A CA 1.658 53.681 52.037 -0.023 0.000 0.616 344 A CB -0.575 18.412 19.000 -0.022 0.000 0.823 344 A HN 0.392 nan 8.150 nan 0.000 0.442 345 K N -0.288 120.089 120.400 -0.039 0.000 2.032 345 K HA -0.216 4.103 4.320 -0.000 0.000 0.209 345 K C 2.080 178.653 176.600 -0.044 0.000 1.048 345 K CA 1.719 57.980 56.287 -0.044 0.000 0.927 345 K CB -0.194 32.272 32.500 -0.056 0.000 0.712 345 K HN 0.621 nan 8.250 nan 0.000 0.441 346 E N 0.759 120.928 120.200 -0.052 0.000 2.160 346 E HA -0.186 4.163 4.350 -0.000 0.000 0.195 346 E C 1.676 178.269 176.600 -0.011 0.000 0.991 346 E CA 1.449 57.822 56.400 -0.044 0.000 0.810 346 E CB -0.125 29.540 29.700 -0.059 0.000 0.742 346 E HN 0.564 nan 8.360 nan 0.000 0.466 347 I N -4.366 116.202 120.570 -0.003 0.000 3.875 347 I HA 0.432 4.602 4.170 -0.000 0.000 0.329 347 I C 1.064 177.184 176.117 0.005 0.000 1.295 347 I CA 0.438 61.746 61.300 0.014 0.000 1.129 347 I CB 0.939 38.953 38.000 0.024 0.000 1.008 347 I HN 0.095 nan 8.210 nan 0.000 0.413 348 G N 1.113 109.905 108.800 -0.014 0.000 2.148 348 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.203 348 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.203 348 G C 0.401 175.277 174.900 -0.040 0.000 0.993 348 G CA -0.238 44.846 45.100 -0.027 0.000 0.661 348 G HN 0.873 nan 8.290 nan 0.000 0.518 349 A N 0.566 123.363 122.820 -0.038 0.000 2.498 349 A HA 0.669 4.989 4.320 -0.000 0.000 0.239 349 A C 1.175 178.736 177.584 -0.038 0.000 1.068 349 A CA 0.993 53.003 52.037 -0.045 0.000 0.766 349 A CB 0.244 19.218 19.000 -0.043 0.000 1.003 349 A HN 1.979 nan 8.150 nan 0.000 0.497 350 S N 2.688 118.364 115.700 -0.039 0.000 2.624 350 S HA 0.692 5.162 4.470 -0.000 0.000 0.263 350 S C 0.106 174.691 174.600 -0.025 0.000 1.287 350 S CA -0.556 57.627 58.200 -0.029 0.000 0.990 350 S CB 0.498 63.681 63.200 -0.028 0.000 0.950 350 S HN 0.591 nan 8.310 nan 0.000 0.561 351 M N 1.131 120.721 119.600 -0.016 0.000 2.716 351 M HA 0.499 4.979 4.480 -0.000 0.000 0.307 351 M C -0.662 175.639 176.300 0.001 0.000 1.223 351 M CA -0.403 54.889 55.300 -0.013 0.000 0.871 351 M CB 1.568 34.154 32.600 -0.024 0.000 1.739 351 M HN 0.740 nan 8.290 nan 0.000 0.475 352 T N 0.784 115.346 114.554 0.012 0.000 2.812 352 T HA 0.304 4.653 4.350 -0.000 0.000 0.282 352 T C -0.738 174.012 174.700 0.083 0.000 0.990 352 T CA -0.347 61.775 62.100 0.037 0.000 0.960 352 T CB 0.833 69.711 68.868 0.016 0.000 0.948 352 T HN 0.692 nan 8.240 nan 0.000 0.438 353 D N 1.524 122.009 120.400 0.141 0.000 2.692 353 D HA -0.160 4.479 4.640 -0.000 0.000 0.233 353 D C 0.934 177.361 176.300 0.211 0.000 1.172 353 D CA 0.199 54.362 54.000 0.272 0.000 0.636 353 D CB -0.758 40.219 40.800 0.295 0.000 1.028 353 D HN 0.478 nan 8.370 nan 0.000 0.419 354 I N 1.019 121.602 120.570 0.021 0.000 2.394 354 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 354 I C 1.638 177.540 176.117 -0.358 0.000 1.136 354 I CA 1.642 62.840 61.300 -0.171 0.000 1.425 354 I CB 0.143 37.965 38.000 -0.295 0.000 1.079 354 I HN 0.070 nan 8.210 nan 0.000 0.425 355 D N -1.941 118.239 120.400 -0.366 0.000 2.325 355 D HA -0.106 4.534 4.640 -0.000 0.000 0.225 355 D C -0.082 175.996 176.300 -0.370 0.000 1.096 355 D CA -0.275 53.440 54.000 -0.475 0.000 0.844 355 D CB -0.948 39.615 40.800 -0.396 0.000 0.925 355 D HN 0.304 nan 8.370 nan 0.000 0.513 356 W N 1.157 122.393 121.300 -0.107 0.000 2.357 356 W HA 0.415 5.074 4.660 -0.000 0.000 0.317 356 W C -0.499 175.985 176.519 -0.058 0.000 1.101 356 W CA -0.622 56.653 57.345 -0.115 0.000 1.380 356 W CB 1.220 30.586 29.460 -0.155 0.000 1.266 356 W HN -0.310 nan 8.180 nan 0.000 0.419 357 V N 4.156 124.102 119.914 0.055 0.000 2.409 357 V HA 0.272 4.391 4.120 -0.000 0.000 0.291 357 V C -0.049 176.093 176.094 0.080 0.000 1.020 357 V CA -1.201 61.103 62.300 0.008 0.000 0.848 357 V CB 1.372 33.162 31.823 -0.055 0.000 0.990 357 V HN 0.436 nan 8.190 nan 0.000 0.430 358 Q N 3.339 123.204 119.800 0.109 0.000 2.241 358 Q HA 0.766 5.106 4.340 -0.000 0.000 0.254 358 Q C -0.492 175.590 176.000 0.138 0.000 0.917 358 Q CA -0.338 55.550 55.803 0.141 0.000 0.919 358 Q CB 1.829 30.669 28.738 0.169 0.000 1.237 358 Q HN 0.918 nan 8.270 nan 0.000 0.434 359 A N 3.070 125.959 122.820 0.114 0.000 2.389 359 A HA 0.571 4.890 4.320 -0.000 0.000 0.293 359 A C -1.778 175.871 177.584 0.108 0.000 1.186 359 A CA -0.626 51.482 52.037 0.118 0.000 0.828 359 A CB 1.360 20.398 19.000 0.064 0.000 1.369 359 A HN 0.930 nan 8.150 nan 0.000 0.446 360 H N -0.115 118.950 119.070 -0.010 0.000 2.589 360 H HA 0.493 5.049 4.556 -0.000 0.000 0.351 360 H C -2.096 173.208 175.328 -0.039 0.000 1.074 360 H CA -1.777 54.227 56.048 -0.074 0.000 1.203 360 H CB 2.393 32.049 29.762 -0.178 0.000 1.558 360 H HN 0.284 nan 8.280 nan 0.000 0.522 361 P HA -0.118 nan 4.420 nan 0.000 0.215 361 P C -0.000 177.323 177.300 0.038 0.000 1.153 361 P CA 1.346 64.383 63.100 -0.105 0.000 0.853 361 P CB 0.211 31.809 31.700 -0.169 0.000 0.788 362 T N -2.741 111.916 114.554 0.172 0.000 3.209 362 T HA 0.487 4.836 4.350 -0.000 0.000 0.366 362 T C -0.422 174.374 174.700 0.161 0.000 1.293 362 T CA -0.736 61.451 62.100 0.145 0.000 1.417 362 T CB -0.115 68.817 68.868 0.107 0.000 1.013 362 T HN -0.272 nan 8.240 nan 0.000 0.572 363 V N 2.265 122.233 119.914 0.091 0.000 2.567 363 V HA 0.706 4.826 4.120 -0.000 0.000 0.289 363 V C 1.450 177.504 176.094 -0.066 0.000 1.049 363 V CA -0.489 61.789 62.300 -0.036 0.000 0.969 363 V CB 1.445 33.250 31.823 -0.030 0.000 0.995 363 V HN 0.993 nan 8.190 nan 0.000 0.471 364 G N 2.165 110.897 108.800 -0.114 0.000 2.414 364 G HA2 0.114 4.074 3.960 -0.000 0.000 0.236 364 G HA3 0.114 4.074 3.960 -0.000 0.000 0.236 364 G C 0.593 175.425 174.900 -0.114 0.000 1.293 364 G CA -0.163 44.869 45.100 -0.113 0.000 0.869 364 G HN 0.783 nan 8.290 nan 0.000 0.556 365 K N 0.279 120.595 120.400 -0.139 0.000 2.262 365 K HA -0.034 4.286 4.320 -0.000 0.000 0.200 365 K C 1.455 177.960 176.600 -0.157 0.000 1.049 365 K CA 1.328 57.511 56.287 -0.173 0.000 0.979 365 K CB 0.228 32.562 32.500 -0.277 0.000 0.773 365 K HN 0.695 nan 8.250 nan 0.000 0.474 366 D N -0.581 119.744 120.400 -0.125 0.000 2.355 366 D HA -0.071 4.569 4.640 -0.000 0.000 0.233 366 D C 0.680 176.916 176.300 -0.107 0.000 0.997 366 D CA 0.255 54.200 54.000 -0.091 0.000 0.920 366 D CB -0.534 40.252 40.800 -0.023 0.000 1.063 366 D HN -0.154 nan 8.370 nan 0.000 0.465 367 S N -0.036 115.605 115.700 -0.099 0.000 2.411 367 S HA 0.247 4.716 4.470 -0.000 0.000 0.294 367 S C 0.086 174.594 174.600 -0.152 0.000 1.115 367 S CA -0.704 57.413 58.200 -0.138 0.000 1.071 367 S CB 0.037 63.184 63.200 -0.089 0.000 0.967 367 S HN 0.070 nan 8.310 nan 0.000 0.488 368 R N 4.721 125.108 120.500 -0.188 0.000 4.556 368 R HA 0.322 4.662 4.340 -0.000 0.000 0.197 368 R C -0.421 175.787 176.300 -0.155 0.000 1.791 368 R CA 0.161 56.168 56.100 -0.155 0.000 1.526 368 R CB -0.445 29.772 30.300 -0.138 0.000 1.410 368 R HN 0.568 nan 8.270 nan 0.000 0.826 369 I N 0.852 121.330 120.570 -0.153 0.000 2.693 369 I HA 0.214 4.384 4.170 -0.000 0.000 0.303 369 I C 0.384 176.395 176.117 -0.178 0.000 1.025 369 I CA -1.124 60.093 61.300 -0.139 0.000 1.086 369 I CB 2.063 40.005 38.000 -0.098 0.000 1.268 369 I HN 0.105 nan 8.210 nan 0.000 0.440 370 L N 5.947 127.044 121.223 -0.211 0.000 2.615 370 L HA 0.038 4.377 4.340 -0.000 0.000 0.271 370 L C -0.390 176.360 176.870 -0.200 0.000 1.183 370 L CA 0.298 54.932 54.840 -0.343 0.000 0.933 370 L CB -0.328 41.452 42.059 -0.465 0.000 1.199 370 L HN 0.387 nan 8.230 nan 0.000 0.487 371 I N 3.133 123.612 120.570 -0.151 0.000 2.308 371 I HA 0.006 4.176 4.170 -0.000 0.000 0.293 371 I C 0.999 177.197 176.117 0.134 0.000 1.078 371 I CA 0.512 61.761 61.300 -0.085 0.000 1.292 371 I CB 1.197 39.117 38.000 -0.133 0.000 1.423 371 I HN 0.568 nan 8.210 nan 0.000 0.493 372 S N 5.010 120.826 115.700 0.194 0.000 2.558 372 S HA -0.071 4.399 4.470 -0.000 0.000 0.293 372 S C 1.575 176.258 174.600 0.138 0.000 1.292 372 S CA -0.075 58.232 58.200 0.177 0.000 1.063 372 S CB 0.352 63.640 63.200 0.146 0.000 0.831 372 S HN 0.799 nan 8.310 nan 0.000 0.499 373 E N 2.686 122.945 120.200 0.097 0.000 2.265 373 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 373 E C 1.528 178.146 176.600 0.030 0.000 0.996 373 E CA 1.536 57.959 56.400 0.038 0.000 0.832 373 E CB -0.702 28.990 29.700 -0.012 0.000 0.756 373 E HN 0.827 nan 8.360 nan 0.000 0.491 374 T N -1.334 113.238 114.554 0.030 0.000 3.007 374 T HA -0.035 4.315 4.350 -0.000 0.000 0.270 374 T C 1.895 176.593 174.700 -0.003 0.000 1.107 374 T CA 0.858 62.962 62.100 0.006 0.000 1.118 374 T CB -0.259 68.603 68.868 -0.010 0.000 0.889 374 T HN 0.085 nan 8.240 nan 0.000 0.506 375 V N 1.842 121.772 119.914 0.026 0.000 2.295 375 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 375 V C 2.995 179.097 176.094 0.013 0.000 1.049 375 V CA 2.029 64.333 62.300 0.006 0.000 1.024 375 V CB -0.663 31.213 31.823 0.089 0.000 0.648 375 V HN 0.479 nan 8.190 nan 0.000 0.447 376 R N 0.360 120.885 120.500 0.041 0.000 2.092 376 R HA -0.049 4.291 4.340 -0.000 0.000 0.231 376 R C 2.525 178.840 176.300 0.026 0.000 1.119 376 R CA 1.308 57.430 56.100 0.036 0.000 0.970 376 R CB -0.881 29.434 30.300 0.024 0.000 0.864 376 R HN 0.579 nan 8.270 nan 0.000 0.440 377 G N 0.431 109.239 108.800 0.013 0.000 2.450 377 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.220 377 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.220 377 G C 1.198 176.104 174.900 0.010 0.000 1.130 377 G CA 0.821 45.926 45.100 0.009 0.000 0.760 377 G HN 0.192 nan 8.290 nan 0.000 0.557 378 V N -0.080 119.832 119.914 -0.004 0.000 3.621 378 V HA 0.497 4.617 4.120 -0.000 0.000 0.285 378 V C 1.711 177.810 176.094 0.008 0.000 1.346 378 V CA 0.868 63.160 62.300 -0.013 0.000 1.104 378 V CB 0.131 31.923 31.823 -0.052 0.000 0.913 378 V HN 0.678 nan 8.190 nan 0.000 0.432 379 G N -0.245 108.579 108.800 0.040 0.000 2.977 379 G HA2 0.043 4.003 3.960 -0.000 0.000 0.211 379 G HA3 0.043 4.003 3.960 -0.000 0.000 0.211 379 G C 0.401 175.368 174.900 0.112 0.000 0.994 379 G CA 0.017 45.173 45.100 0.094 0.000 0.795 379 G HN 0.701 nan 8.290 nan 0.000 0.518 380 A N 0.234 123.109 122.820 0.091 0.000 2.346 380 A HA 0.719 5.038 4.320 -0.000 0.000 0.252 380 A C 0.495 178.101 177.584 0.036 0.000 1.089 380 A CA 0.331 52.463 52.037 0.159 0.000 0.797 380 A CB 0.826 19.983 19.000 0.262 0.000 1.047 380 A HN 0.997 nan 8.150 nan 0.000 0.494 381 V N 1.639 121.536 119.914 -0.029 0.000 2.713 381 V HA 0.516 4.636 4.120 -0.000 0.000 0.307 381 V C 0.159 176.221 176.094 -0.053 0.000 1.052 381 V CA -0.360 61.831 62.300 -0.181 0.000 0.967 381 V CB 1.566 33.178 31.823 -0.352 0.000 1.019 381 V HN 0.933 nan 8.190 nan 0.000 0.459 382 M N 3.992 123.519 119.600 -0.123 0.000 2.253 382 M HA 0.707 5.187 4.480 -0.000 0.000 0.314 382 M C -1.798 174.432 176.300 -0.118 0.000 1.019 382 M CA -0.308 54.943 55.300 -0.082 0.000 0.932 382 M CB 1.737 34.239 32.600 -0.164 0.000 1.606 382 M HN 0.491 nan 8.290 nan 0.000 0.430 383 V N 4.689 124.683 119.914 0.134 0.000 2.876 383 V HA 0.503 4.623 4.120 -0.000 0.000 0.312 383 V C -0.543 175.793 176.094 0.404 0.000 1.085 383 V CA -0.750 61.687 62.300 0.229 0.000 0.945 383 V CB 2.473 34.377 31.823 0.136 0.000 1.017 383 V HN 1.032 nan 8.190 nan 0.000 0.428 384 N N 3.234 122.133 118.700 0.333 0.000 2.366 384 N HA 0.151 4.891 4.740 -0.000 0.000 0.277 384 N C 0.974 176.511 175.510 0.045 0.000 1.275 384 N CA -0.190 52.871 53.050 0.019 0.000 0.964 384 N CB 0.172 38.549 38.487 -0.184 0.000 1.167 384 N HN 0.670 nan 8.380 nan 0.000 0.568 385 K N -0.986 119.286 120.400 -0.213 0.000 2.211 385 K HA -0.178 4.142 4.320 -0.000 0.000 0.204 385 K C 0.054 176.735 176.600 0.136 0.000 1.047 385 K CA 1.603 57.913 56.287 0.039 0.000 0.935 385 K CB -0.189 32.216 32.500 -0.158 0.000 0.728 385 K HN 0.449 nan 8.250 nan 0.000 0.452 386 D N -0.282 120.147 120.400 0.049 0.000 2.277 386 D HA -0.004 4.636 4.640 -0.000 0.000 0.208 386 D C 1.074 177.397 176.300 0.038 0.000 0.962 386 D CA 1.364 55.389 54.000 0.040 0.000 0.865 386 D CB 0.361 41.174 40.800 0.022 0.000 0.939 386 D HN 0.559 nan 8.370 nan 0.000 0.510 387 G N 0.746 109.586 108.800 0.068 0.000 2.135 387 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.183 387 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.183 387 G C -0.170 174.772 174.900 0.071 0.000 1.004 387 G CA -0.544 44.582 45.100 0.044 0.000 0.677 387 G HN 0.140 nan 8.290 nan 0.000 0.512 388 N N 0.411 119.180 118.700 0.116 0.000 2.399 388 N HA 0.488 5.228 4.740 -0.000 0.000 0.295 388 N C 0.557 176.191 175.510 0.208 0.000 1.048 388 N CA -0.542 52.600 53.050 0.154 0.000 0.886 388 N CB 1.224 39.806 38.487 0.159 0.000 1.185 388 N HN 0.335 nan 8.380 nan 0.000 0.487 389 R N 0.563 121.160 120.500 0.162 0.000 2.707 389 R HA 0.202 4.541 4.340 -0.000 0.000 0.270 389 R C 0.250 176.483 176.300 -0.113 0.000 1.083 389 R CA 0.292 56.364 56.100 -0.047 0.000 1.182 389 R CB 0.349 30.680 30.300 0.051 0.000 1.084 389 R HN 0.683 nan 8.270 nan 0.000 0.528 390 F N -1.391 118.209 119.950 -0.582 0.000 3.087 390 F HA 0.479 5.006 4.527 -0.001 0.000 0.371 390 F C -0.350 174.846 175.800 -1.006 0.000 1.144 390 F CA -0.639 57.026 58.000 -0.558 0.000 1.030 390 F CB 0.389 39.257 39.000 -0.221 0.000 1.366 390 F HN 0.302 nan 8.300 nan 0.000 0.522 391 I N -0.234 119.325 120.570 -1.684 0.000 2.739 391 I HA 0.315 4.485 4.170 -0.000 0.000 0.295 391 I C -0.780 174.914 176.117 -0.705 0.000 1.677 391 I CA -0.724 59.995 61.300 -0.969 0.000 0.976 391 I CB 1.921 39.682 38.000 -0.397 0.000 1.430 391 I HN -0.024 nan 8.210 nan 0.000 0.525 392 S N 2.857 118.414 115.700 -0.238 0.000 2.560 392 S HA 0.108 4.577 4.470 -0.000 0.000 0.284 392 S C 0.718 175.235 174.600 -0.139 0.000 1.327 392 S CA 0.296 58.446 58.200 -0.083 0.000 1.055 392 S CB 0.949 64.165 63.200 0.026 0.000 0.868 392 S HN 0.641 nan 8.310 nan 0.000 0.506 393 E N 3.144 123.288 120.200 -0.093 0.000 2.358 393 E HA 0.088 4.438 4.350 -0.000 0.000 0.195 393 E C 0.837 177.413 176.600 -0.040 0.000 1.010 393 E CA 0.643 56.990 56.400 -0.089 0.000 0.856 393 E CB -0.067 29.597 29.700 -0.060 0.000 0.795 393 E HN 0.675 nan 8.360 nan 0.000 0.504 394 L N 1.259 122.475 121.223 -0.012 0.000 2.653 394 L HA 0.180 4.520 4.340 -0.000 0.000 0.232 394 L C 0.411 177.273 176.870 -0.014 0.000 1.169 394 L CA -0.313 54.524 54.840 -0.006 0.000 0.951 394 L CB -0.926 41.140 42.059 0.013 0.000 1.181 394 L HN 0.066 nan 8.230 nan 0.000 0.460 395 T N -1.667 112.872 114.554 -0.026 0.000 2.619 395 T HA 0.097 4.447 4.350 -0.000 0.000 0.330 395 T C 0.938 175.624 174.700 -0.024 0.000 1.037 395 T CA -0.262 61.826 62.100 -0.021 0.000 1.005 395 T CB 0.216 69.069 68.868 -0.025 0.000 1.084 395 T HN 0.333 nan 8.240 nan 0.000 0.521 396 T N -1.488 113.054 114.554 -0.019 0.000 2.726 396 T HA 0.261 4.610 4.350 -0.000 0.000 0.294 396 T C 1.257 175.936 174.700 -0.035 0.000 1.013 396 T CA -0.793 61.293 62.100 -0.024 0.000 0.996 396 T CB 0.590 69.449 68.868 -0.015 0.000 1.016 396 T HN 0.562 nan 8.240 nan 0.000 0.529 397 R N 0.607 121.077 120.500 -0.049 0.000 2.073 397 R HA -0.000 4.339 4.340 -0.000 0.000 0.229 397 R C 2.214 178.485 176.300 -0.049 0.000 1.120 397 R CA 1.718 57.773 56.100 -0.075 0.000 0.967 397 R CB -0.546 29.686 30.300 -0.113 0.000 0.862 397 R HN 0.889 nan 8.270 nan 0.000 0.436 398 D N 0.792 121.176 120.400 -0.027 0.000 2.144 398 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 398 D C 1.432 177.731 176.300 -0.002 0.000 0.978 398 D CA 0.863 54.857 54.000 -0.009 0.000 0.833 398 D CB -0.106 40.700 40.800 0.009 0.000 0.961 398 D HN 0.068 nan 8.370 nan 0.000 0.470 399 K N 0.489 120.888 120.400 -0.001 0.000 2.032 399 K HA -0.096 4.224 4.320 -0.000 0.000 0.209 399 K C 2.362 178.971 176.600 0.015 0.000 1.048 399 K CA 1.329 57.621 56.287 0.008 0.000 0.927 399 K CB -0.298 32.206 32.500 0.006 0.000 0.712 399 K HN 0.234 nan 8.250 nan 0.000 0.441 400 A N 1.246 124.068 122.820 0.003 0.000 1.877 400 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 400 A C 2.254 179.860 177.584 0.037 0.000 1.186 400 A CA 2.045 54.094 52.037 0.021 0.000 0.620 400 A CB -0.610 18.381 19.000 -0.014 0.000 0.822 400 A HN 0.221 nan 8.150 nan 0.000 0.443 401 S N -0.174 115.530 115.700 0.006 0.000 2.359 401 S HA -0.202 4.268 4.470 -0.000 0.000 0.224 401 S C 1.766 176.368 174.600 0.003 0.000 1.035 401 S CA 1.656 59.858 58.200 0.004 0.000 1.018 401 S CB -0.504 62.692 63.200 -0.007 0.000 0.876 401 S HN 0.769 nan 8.310 nan 0.000 0.448 402 D N 1.339 121.742 120.400 0.005 0.000 2.144 402 D HA -0.004 4.636 4.640 -0.000 0.000 0.200 402 D C 1.925 178.223 176.300 -0.002 0.000 0.978 402 D CA 1.152 55.150 54.000 -0.003 0.000 0.833 402 D CB -0.272 40.529 40.800 0.001 0.000 0.961 402 D HN 0.334 nan 8.370 nan 0.000 0.470 403 A N -0.047 122.797 122.820 0.039 0.000 1.929 403 A HA -0.030 4.289 4.320 -0.000 0.000 0.216 403 A C 2.311 179.854 177.584 -0.068 0.000 1.176 403 A CA 0.809 52.880 52.037 0.058 0.000 0.628 403 A CB -0.689 18.445 19.000 0.223 0.000 0.816 403 A HN 0.354 nan 8.150 nan 0.000 0.444 404 I N -0.083 120.484 120.570 -0.006 0.000 2.163 404 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 404 I C 2.223 178.209 176.117 -0.218 0.000 1.085 404 I CA 1.340 62.534 61.300 -0.177 0.000 1.347 404 I CB -0.416 37.575 38.000 -0.016 0.000 1.044 404 I HN 0.273 nan 8.210 nan 0.000 0.408 405 L N 0.400 121.552 121.223 -0.118 0.000 2.265 405 L HA -0.195 4.145 4.340 -0.000 0.000 0.215 405 L C 2.198 178.992 176.870 -0.128 0.000 1.117 405 L CA 1.306 56.085 54.840 -0.102 0.000 0.782 405 L CB -0.557 41.466 42.059 -0.059 0.000 0.914 405 L HN 0.234 nan 8.230 nan 0.000 0.441 406 K N -0.753 119.557 120.400 -0.150 0.000 2.459 406 K HA 0.018 4.337 4.320 -0.000 0.000 0.193 406 K C 0.438 176.905 176.600 -0.222 0.000 1.030 406 K CA 0.094 56.293 56.287 -0.147 0.000 1.026 406 K CB 0.158 32.593 32.500 -0.108 0.000 0.809 406 K HN 0.251 nan 8.250 nan 0.000 0.504 407 Q N 1.028 120.616 119.800 -0.353 0.000 2.312 407 Q HA 0.201 4.541 4.340 -0.000 0.000 0.236 407 Q C -2.435 173.377 176.000 -0.314 0.000 0.965 407 Q CA -2.634 52.910 55.803 -0.432 0.000 0.894 407 Q CB -0.076 28.219 28.738 -0.738 0.000 1.225 407 Q HN -0.048 nan 8.270 nan 0.000 0.478 408 P HA -0.035 nan 4.420 nan 0.000 0.260 408 P C 0.623 177.791 177.300 -0.220 0.000 1.185 408 P CA 1.203 64.186 63.100 -0.195 0.000 0.763 408 P CB 0.009 31.618 31.700 -0.152 0.000 0.776 409 G N 3.270 112.023 108.800 -0.078 0.000 2.205 409 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.261 409 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.261 409 G C 0.562 175.512 174.900 0.084 0.000 0.980 409 G CA 0.387 45.532 45.100 0.076 0.000 0.632 409 G HN 0.522 nan 8.290 nan 0.000 0.533 410 Q N -2.240 117.505 119.800 -0.091 0.000 2.481 410 Q HA -0.174 4.166 4.340 -0.000 0.000 0.272 410 Q C 0.266 176.268 176.000 0.003 0.000 1.157 410 Q CA 1.990 57.749 55.803 -0.074 0.000 0.935 410 Q CB -1.688 27.044 28.738 -0.010 0.000 1.338 410 Q HN 1.862 nan 8.270 nan 0.000 0.494 411 F N -3.503 116.324 119.950 -0.205 0.000 2.726 411 F HA 0.960 5.487 4.527 -0.000 0.000 0.324 411 F C -0.541 175.110 175.800 -0.249 0.000 1.140 411 F CA -0.748 57.114 58.000 -0.230 0.000 0.964 411 F CB 0.815 39.639 39.000 -0.292 0.000 1.399 411 F HN -0.107 nan 8.300 nan 0.000 0.491 412 A N -0.296 122.461 122.820 -0.106 0.000 2.564 412 A HA 0.750 5.070 4.320 -0.000 0.000 0.288 412 A C -2.497 175.074 177.584 -0.021 0.000 1.164 412 A CA -0.875 51.094 52.037 -0.114 0.000 0.712 412 A CB 0.862 19.975 19.000 0.189 0.000 1.303 412 A HN 0.845 nan 8.150 nan 0.000 0.418 413 W N -0.027 121.369 121.300 0.159 0.000 2.573 413 W HA 0.660 5.320 4.660 -0.001 0.000 0.326 413 W C -0.441 176.141 176.519 0.106 0.000 1.049 413 W CA -0.254 57.170 57.345 0.132 0.000 1.220 413 W CB 1.568 31.074 29.460 0.077 0.000 1.373 413 W HN 0.397 nan 8.180 nan 0.000 0.507 414 I N 4.464 125.258 120.570 0.373 0.000 2.336 414 I HA 0.392 4.562 4.170 -0.000 0.000 0.292 414 I C -0.397 175.898 176.117 0.296 0.000 0.991 414 I CA -0.677 60.803 61.300 0.299 0.000 1.227 414 I CB 0.844 39.014 38.000 0.284 0.000 1.366 414 I HN 0.239 nan 8.210 nan 0.000 0.466 415 I N 7.233 127.939 120.570 0.226 0.000 2.608 415 I HA 0.545 4.715 4.170 -0.000 0.000 0.295 415 I C -0.932 175.283 176.117 0.163 0.000 1.049 415 I CA -0.331 60.998 61.300 0.048 0.000 1.063 415 I CB 1.717 39.728 38.000 0.019 0.000 1.248 415 I HN 0.462 nan 8.210 nan 0.000 0.424 416 F N 3.253 123.330 119.950 0.213 0.000 2.773 416 F HA 0.667 5.194 4.527 -0.000 0.000 0.314 416 F C -1.443 174.540 175.800 0.305 0.000 1.160 416 F CA -1.122 57.004 58.000 0.210 0.000 0.920 416 F CB 0.527 39.627 39.000 0.167 0.000 1.323 416 F HN 0.421 nan 8.300 nan 0.000 0.457 417 D N -0.573 120.130 120.400 0.505 0.000 2.666 417 D HA 0.240 4.879 4.640 -0.000 0.000 0.252 417 D C 0.057 176.591 176.300 0.390 0.000 1.143 417 D CA -0.515 53.653 54.000 0.279 0.000 1.096 417 D CB 0.715 41.579 40.800 0.106 0.000 1.260 417 D HN 0.798 nan 8.370 nan 0.000 0.633 418 N N -1.150 117.671 118.700 0.202 0.000 2.443 418 N HA -0.196 4.544 4.740 -0.000 0.000 0.184 418 N C 1.447 177.082 175.510 0.208 0.000 1.037 418 N CA 0.955 54.152 53.050 0.245 0.000 0.896 418 N CB 0.093 38.630 38.487 0.083 0.000 0.959 418 N HN 0.351 nan 8.380 nan 0.000 0.442 419 Q N 0.374 120.268 119.800 0.156 0.000 2.046 419 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 419 Q C 2.204 178.264 176.000 0.099 0.000 0.975 419 Q CA 1.049 56.920 55.803 0.114 0.000 0.836 419 Q CB -0.158 28.638 28.738 0.096 0.000 0.896 419 Q HN 0.413 nan 8.270 nan 0.000 0.428 420 L N -0.228 121.074 121.223 0.132 0.000 2.027 420 L HA -0.207 4.132 4.340 -0.000 0.000 0.206 420 L C 2.425 179.250 176.870 -0.075 0.000 1.074 420 L CA 1.264 56.099 54.840 -0.009 0.000 0.745 420 L CB -0.265 41.733 42.059 -0.101 0.000 0.898 420 L HN 0.197 nan 8.230 nan 0.000 0.433 421 Y N 0.737 120.989 120.300 -0.080 0.000 2.128 421 Y HA -0.335 4.215 4.550 -0.000 0.000 0.284 421 Y C 2.449 178.272 175.900 -0.129 0.000 1.154 421 Y CA 2.014 60.011 58.100 -0.171 0.000 1.149 421 Y CB -0.056 38.309 38.460 -0.158 0.000 0.976 421 Y HN 0.074 nan 8.280 nan 0.000 0.505 422 K N -0.170 120.309 120.400 0.131 0.000 2.283 422 K HA -0.134 4.185 4.320 -0.000 0.000 0.202 422 K C 1.873 178.439 176.600 -0.058 0.000 1.048 422 K CA 0.956 57.271 56.287 0.046 0.000 0.948 422 K CB -0.006 32.547 32.500 0.088 0.000 0.742 422 K HN 0.176 nan 8.250 nan 0.000 0.458 423 K N 0.143 120.495 120.400 -0.081 0.000 2.358 423 K HA 0.118 4.438 4.320 -0.000 0.000 0.197 423 K C -0.703 175.807 176.600 -0.150 0.000 1.025 423 K CA 0.076 56.308 56.287 -0.093 0.000 1.104 423 K CB 0.825 33.287 32.500 -0.064 0.000 0.855 423 K HN -0.020 nan 8.250 nan 0.000 0.531 424 A N 1.936 124.614 122.820 -0.237 0.000 2.605 424 A HA 0.192 4.512 4.320 -0.000 0.000 0.293 424 A C 0.537 177.898 177.584 -0.370 0.000 1.216 424 A CA -0.724 51.147 52.037 -0.276 0.000 0.742 424 A CB 0.727 19.542 19.000 -0.308 0.000 1.170 424 A HN 0.276 nan 8.150 nan 0.000 0.443 425 K N 2.689 122.906 120.400 -0.304 0.000 2.211 425 K HA -0.200 4.120 4.320 -0.000 0.000 0.204 425 K C 1.601 177.980 176.600 -0.369 0.000 1.047 425 K CA 1.817 57.914 56.287 -0.316 0.000 0.935 425 K CB -0.328 32.051 32.500 -0.201 0.000 0.728 425 K HN 0.666 nan 8.250 nan 0.000 0.452 426 M N 1.252 120.631 119.600 -0.367 0.000 2.149 426 M HA -0.152 4.327 4.480 -0.000 0.000 0.261 426 M C 1.647 177.456 176.300 -0.818 0.000 1.064 426 M CA 1.544 56.542 55.300 -0.504 0.000 1.102 426 M CB 0.080 32.444 32.600 -0.394 0.000 1.369 426 M HN 0.093 nan 8.290 nan 0.000 0.408 427 V N -0.109 119.394 119.914 -0.686 0.000 2.788 427 V HA -0.125 3.994 4.120 -0.000 0.000 0.251 427 V C 2.316 178.135 176.094 -0.459 0.000 1.068 427 V CA 1.491 63.444 62.300 -0.578 0.000 1.090 427 V CB -0.677 30.838 31.823 -0.514 0.000 0.710 427 V HN 0.531 nan 8.190 nan 0.000 0.467 428 R N 0.731 120.829 120.500 -0.670 0.000 2.096 428 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 428 R C 2.261 178.177 176.300 -0.640 0.000 1.127 428 R CA 1.760 57.427 56.100 -0.723 0.000 0.968 428 R CB -0.698 29.134 30.300 -0.780 0.000 0.861 428 R HN 0.493 nan 8.270 nan 0.000 0.440 429 G N -0.501 107.998 108.800 -0.502 0.000 2.422 429 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 429 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 429 G C 0.805 175.698 174.900 -0.012 0.000 1.146 429 G CA 0.750 45.702 45.100 -0.247 0.000 0.769 429 G HN 0.322 nan 8.290 nan 0.000 0.547 430 Y N 0.907 121.207 120.300 0.001 0.000 2.242 430 Y HA -0.025 4.525 4.550 -0.000 0.000 0.291 430 Y C 2.453 178.453 175.900 0.167 0.000 1.137 430 Y CA 0.392 58.558 58.100 0.110 0.000 1.181 430 Y CB -0.839 37.702 38.460 0.135 0.000 0.989 430 Y HN 0.197 nan 8.280 nan 0.000 0.527 431 D N -0.746 119.807 120.400 0.254 0.000 2.097 431 D HA -0.173 4.466 4.640 -0.000 0.000 0.195 431 D C 1.833 178.325 176.300 0.320 0.000 0.989 431 D CA 1.649 55.821 54.000 0.286 0.000 0.827 431 D CB -0.324 40.654 40.800 0.298 0.000 0.966 431 D HN 0.521 nan 8.370 nan 0.000 0.456 432 H N -0.712 118.516 119.070 0.263 0.000 2.421 432 H HA 0.029 4.585 4.556 -0.000 0.000 0.298 432 H C 1.700 177.298 175.328 0.450 0.000 1.087 432 H CA 0.315 56.520 56.048 0.262 0.000 1.330 432 H CB 0.135 30.004 29.762 0.179 0.000 1.388 432 H HN 0.153 nan 8.280 nan 0.000 0.526 433 L N 0.792 122.351 121.223 0.560 0.000 2.650 433 L HA -0.047 4.293 4.340 -0.000 0.000 0.235 433 L C 0.158 177.302 176.870 0.456 0.000 1.149 433 L CA 0.391 55.563 54.840 0.553 0.000 0.887 433 L CB -0.279 42.039 42.059 0.433 0.000 1.021 433 L HN 0.347 nan 8.230 nan 0.000 0.441 434 E N -1.165 119.305 120.200 0.449 0.000 2.440 434 E HA -0.296 4.054 4.350 -0.000 0.000 0.246 434 E C 0.986 177.714 176.600 0.214 0.000 1.165 434 E CA 0.417 57.013 56.400 0.326 0.000 0.726 434 E CB -1.341 28.567 29.700 0.346 0.000 1.271 434 E HN 0.581 nan 8.360 nan 0.000 0.397 435 M N -0.274 119.475 119.600 0.249 0.000 2.541 435 M HA 0.101 4.581 4.480 -0.000 0.000 0.252 435 M C 0.567 177.038 176.300 0.286 0.000 1.125 435 M CA 0.586 56.015 55.300 0.215 0.000 1.091 435 M CB 0.391 33.104 32.600 0.189 0.000 1.420 435 M HN 0.096 nan 8.290 nan 0.000 0.486 436 L N 0.688 122.098 121.223 0.313 0.000 2.276 436 L HA 0.293 4.632 4.340 -0.000 0.000 0.286 436 L C -0.762 176.281 176.870 0.289 0.000 1.061 436 L CA -0.799 54.274 54.840 0.388 0.000 0.807 436 L CB 0.318 42.660 42.059 0.470 0.000 1.177 436 L HN 0.015 nan 8.230 nan 0.000 0.429 437 Y N 3.112 123.526 120.300 0.190 0.000 2.326 437 Y HA 0.311 4.861 4.550 -0.000 0.000 0.333 437 Y C 0.461 176.356 175.900 -0.008 0.000 1.240 437 Y CA -0.224 57.921 58.100 0.074 0.000 1.365 437 Y CB 0.852 39.302 38.460 -0.018 0.000 1.289 437 Y HN 0.464 nan 8.280 nan 0.000 0.548 438 K N 0.323 120.748 120.400 0.041 0.000 2.551 438 K HA 0.867 5.187 4.320 -0.000 0.000 0.269 438 K C -1.172 175.337 176.600 -0.152 0.000 0.949 438 K CA -1.229 54.949 56.287 -0.181 0.000 0.849 438 K CB 2.239 34.532 32.500 -0.345 0.000 1.411 438 K HN 0.769 nan 8.250 nan 0.000 0.432 439 G N 0.752 109.435 108.800 -0.196 0.000 2.682 439 G HA2 0.290 4.249 3.960 -0.000 0.000 0.300 439 G HA3 0.290 4.249 3.960 -0.000 0.000 0.300 439 G C -0.687 174.171 174.900 -0.069 0.000 1.391 439 G CA -0.608 44.435 45.100 -0.094 0.000 0.990 439 G HN 0.564 nan 8.290 nan 0.000 0.501 440 D N -0.112 120.261 120.400 -0.045 0.000 2.178 440 D HA 0.018 4.658 4.640 -0.000 0.000 0.201 440 D C 1.865 178.230 176.300 0.108 0.000 0.980 440 D CA 1.911 55.903 54.000 -0.013 0.000 0.842 440 D CB 0.296 41.082 40.800 -0.023 0.000 0.948 440 D HN 0.605 nan 8.370 nan 0.000 0.472 441 T N -3.972 110.636 114.554 0.089 0.000 2.907 441 T HA 0.412 4.762 4.350 -0.000 0.000 0.290 441 T C 1.272 175.895 174.700 -0.128 0.000 1.066 441 T CA -0.829 61.305 62.100 0.057 0.000 1.012 441 T CB 1.716 70.573 68.868 -0.018 0.000 1.184 441 T HN -0.245 nan 8.240 nan 0.000 0.522 442 V N 0.826 120.481 119.914 -0.431 0.000 2.343 442 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 442 V C 2.819 178.758 176.094 -0.259 0.000 1.051 442 V CA 2.283 64.283 62.300 -0.500 0.000 1.036 442 V CB -0.924 30.556 31.823 -0.570 0.000 0.654 442 V HN 1.053 nan 8.190 nan 0.000 0.451 443 E N -0.173 119.916 120.200 -0.185 0.000 2.058 443 E HA -0.308 4.042 4.350 -0.000 0.000 0.194 443 E C 2.320 178.857 176.600 -0.105 0.000 0.997 443 E CA 1.801 58.126 56.400 -0.126 0.000 0.801 443 E CB -0.078 29.566 29.700 -0.092 0.000 0.746 443 E HN 0.696 nan 8.360 nan 0.000 0.450 444 Q N 0.433 120.180 119.800 -0.087 0.000 2.061 444 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 444 Q C 2.433 178.380 176.000 -0.089 0.000 0.984 444 Q CA 1.376 57.138 55.803 -0.069 0.000 0.846 444 Q CB -0.226 28.483 28.738 -0.048 0.000 0.902 444 Q HN 0.367 nan 8.270 nan 0.000 0.421 445 L N 0.213 121.365 121.223 -0.119 0.000 2.012 445 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 445 L C 2.285 179.026 176.870 -0.216 0.000 1.073 445 L CA 1.498 56.244 54.840 -0.157 0.000 0.748 445 L CB -0.527 41.423 42.059 -0.181 0.000 0.891 445 L HN 0.290 nan 8.230 nan 0.000 0.431 446 A N -0.250 122.448 122.820 -0.203 0.000 1.933 446 A HA -0.256 4.063 4.320 -0.000 0.000 0.218 446 A C 2.220 179.708 177.584 -0.160 0.000 1.175 446 A CA 1.920 53.832 52.037 -0.208 0.000 0.628 446 A CB -0.316 18.589 19.000 -0.157 0.000 0.814 446 A HN 0.405 nan 8.150 nan 0.000 0.444 447 K N -0.133 120.202 120.400 -0.108 0.000 2.062 447 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 447 K C 2.348 178.920 176.600 -0.046 0.000 1.051 447 K CA 1.332 57.582 56.287 -0.063 0.000 0.941 447 K CB -0.158 32.318 32.500 -0.040 0.000 0.719 447 K HN 0.412 nan 8.250 nan 0.000 0.440 448 S N 0.389 116.065 115.700 -0.040 0.000 2.374 448 S HA -0.156 4.313 4.470 -0.000 0.000 0.227 448 S C 1.931 176.523 174.600 -0.012 0.000 1.037 448 S CA 1.995 60.220 58.200 0.041 0.000 1.024 448 S CB -0.510 62.752 63.200 0.103 0.000 0.861 448 S HN 0.580 nan 8.310 nan 0.000 0.456 449 T N -1.611 112.771 114.554 -0.285 0.000 3.107 449 T HA 0.430 4.780 4.350 -0.000 0.000 0.249 449 T C 1.320 175.908 174.700 -0.187 0.000 1.096 449 T CA 0.567 62.315 62.100 -0.587 0.000 1.012 449 T CB 0.039 68.044 68.868 -1.438 0.000 0.977 449 T HN 0.555 nan 8.240 nan 0.000 0.527 450 G N 1.814 110.569 108.800 -0.075 0.000 2.225 450 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.267 450 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.267 450 G C 0.029 174.939 174.900 0.017 0.000 1.024 450 G CA 0.508 45.619 45.100 0.018 0.000 0.784 450 G HN 0.596 nan 8.290 nan 0.000 0.507 451 M N -0.442 119.105 119.600 -0.088 0.000 2.227 451 M HA 0.312 4.792 4.480 -0.000 0.000 0.316 451 M C 0.969 177.243 176.300 -0.043 0.000 1.144 451 M CA -0.121 55.145 55.300 -0.057 0.000 1.121 451 M CB 0.631 33.141 32.600 -0.149 0.000 1.440 451 M HN 0.005 nan 8.290 nan 0.000 0.473 452 K N 0.953 121.340 120.400 -0.022 0.000 2.416 452 K HA 0.081 4.401 4.320 -0.000 0.000 0.283 452 K C 0.807 177.381 176.600 -0.043 0.000 1.037 452 K CA -0.350 55.923 56.287 -0.023 0.000 0.995 452 K CB 0.743 33.238 32.500 -0.008 0.000 0.938 452 K HN 0.477 nan 8.250 nan 0.000 0.475 453 V N 3.094 122.980 119.914 -0.048 0.000 2.282 453 V HA -0.353 3.767 4.120 -0.000 0.000 0.249 453 V C 2.207 178.269 176.094 -0.053 0.000 1.057 453 V CA 2.573 64.837 62.300 -0.060 0.000 1.032 453 V CB -0.616 31.176 31.823 -0.051 0.000 0.645 453 V HN 0.981 nan 8.190 nan 0.000 0.447 454 A N -0.270 122.528 122.820 -0.036 0.000 1.929 454 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 454 A C 1.911 179.481 177.584 -0.023 0.000 1.176 454 A CA 1.893 53.913 52.037 -0.029 0.000 0.628 454 A CB -0.587 18.402 19.000 -0.019 0.000 0.816 454 A HN 0.570 nan 8.150 nan 0.000 0.444 455 D N -0.366 120.024 120.400 -0.016 0.000 2.097 455 D HA -0.113 4.526 4.640 -0.000 0.000 0.197 455 D C 1.788 178.080 176.300 -0.013 0.000 0.984 455 D CA 1.082 55.081 54.000 -0.002 0.000 0.826 455 D CB -0.374 40.433 40.800 0.011 0.000 0.973 455 D HN 0.311 nan 8.370 nan 0.000 0.460 456 L N 0.845 122.044 121.223 -0.040 0.000 2.017 456 L HA -0.044 4.295 4.340 -0.000 0.000 0.208 456 L C 2.072 178.897 176.870 -0.075 0.000 1.073 456 L CA 1.748 56.549 54.840 -0.065 0.000 0.745 456 L CB -0.917 41.074 42.059 -0.113 0.000 0.894 456 L HN 0.019 nan 8.230 nan 0.000 0.432 457 A N -0.725 122.045 122.820 -0.082 0.000 1.978 457 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 457 A C 2.452 180.002 177.584 -0.057 0.000 1.170 457 A CA 2.007 53.993 52.037 -0.086 0.000 0.636 457 A CB -0.640 18.313 19.000 -0.078 0.000 0.810 457 A HN 0.535 nan 8.150 nan 0.000 0.448 458 K N -0.889 119.490 120.400 -0.035 0.000 2.057 458 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 458 K C 1.953 178.545 176.600 -0.013 0.000 1.050 458 K CA 1.722 57.996 56.287 -0.021 0.000 0.935 458 K CB -0.327 32.170 32.500 -0.004 0.000 0.715 458 K HN 0.404 nan 8.250 nan 0.000 0.439 459 T N 0.948 115.504 114.554 0.004 0.000 2.684 459 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 459 T C 1.873 176.587 174.700 0.023 0.000 1.036 459 T CA 1.584 63.704 62.100 0.034 0.000 1.148 459 T CB -0.204 68.687 68.868 0.039 0.000 0.863 459 T HN 0.013 nan 8.240 nan 0.000 0.436 460 V N 2.140 122.047 119.914 -0.013 0.000 2.332 460 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 460 V C 2.842 178.930 176.094 -0.010 0.000 1.055 460 V CA 2.145 64.442 62.300 -0.005 0.000 1.038 460 V CB -0.999 30.779 31.823 -0.076 0.000 0.651 460 V HN 0.687 nan 8.190 nan 0.000 0.450 461 S N -0.304 115.367 115.700 -0.048 0.000 2.387 461 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 461 S C 1.673 176.184 174.600 -0.149 0.000 1.026 461 S CA 1.435 59.592 58.200 -0.072 0.000 0.972 461 S CB -0.487 62.675 63.200 -0.062 0.000 0.814 461 S HN 0.560 nan 8.310 nan 0.000 0.477 462 D N 0.614 120.905 120.400 -0.182 0.000 2.092 462 D HA -0.101 4.539 4.640 -0.000 0.000 0.193 462 D C 1.668 177.507 176.300 -0.769 0.000 0.994 462 D CA 1.549 55.279 54.000 -0.451 0.000 0.828 462 D CB -0.689 39.924 40.800 -0.312 0.000 0.963 462 D HN 0.589 nan 8.370 nan 0.000 0.450 463 Y N 1.681 121.710 120.300 -0.451 0.000 2.242 463 Y HA -0.164 4.386 4.550 -0.001 0.000 0.291 463 Y C 1.826 177.609 175.900 -0.196 0.000 1.137 463 Y CA 1.260 59.172 58.100 -0.314 0.000 1.181 463 Y CB -0.147 38.304 38.460 -0.016 0.000 0.989 463 Y HN -0.100 nan 8.280 nan 0.000 0.527 464 N N 0.129 118.810 118.700 -0.031 0.000 2.205 464 N HA -0.153 4.586 4.740 -0.000 0.000 0.186 464 N C 1.993 177.425 175.510 -0.131 0.000 1.015 464 N CA 1.403 54.430 53.050 -0.038 0.000 0.862 464 N CB -0.972 37.524 38.487 0.016 0.000 0.986 464 N HN 0.552 nan 8.380 nan 0.000 0.429 465 G N -0.414 108.256 108.800 -0.217 0.000 2.421 465 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 465 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 465 G C 0.948 175.781 174.900 -0.112 0.000 1.143 465 G CA 0.307 45.308 45.100 -0.165 0.000 0.784 465 G HN 0.276 nan 8.290 nan 0.000 0.541 466 Y N 0.415 120.615 120.300 -0.167 0.000 2.352 466 Y HA 0.007 4.556 4.550 -0.001 0.000 0.292 466 Y C 2.795 178.534 175.900 -0.268 0.000 1.136 466 Y CA 0.104 58.066 58.100 -0.230 0.000 1.227 466 Y CB -1.027 37.250 38.460 -0.305 0.000 0.991 466 Y HN 0.160 nan 8.280 nan 0.000 0.545 467 V N -0.404 119.394 119.914 -0.194 0.000 2.649 467 V HA 0.030 4.149 4.120 -0.000 0.000 0.248 467 V C 2.200 178.269 176.094 -0.041 0.000 1.054 467 V CA 1.490 63.716 62.300 -0.124 0.000 1.073 467 V CB -0.712 31.052 31.823 -0.099 0.000 0.699 467 V HN 0.222 nan 8.190 nan 0.000 0.463 468 A N 0.983 123.784 122.820 -0.032 0.000 2.019 468 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 468 A C 2.464 180.047 177.584 -0.001 0.000 1.164 468 A CA 2.276 54.307 52.037 -0.010 0.000 0.644 468 A CB -0.693 18.300 19.000 -0.011 0.000 0.805 468 A HN 1.021 nan 8.150 nan 0.000 0.449 469 S N -2.833 112.872 115.700 0.008 0.000 2.502 469 S HA 0.402 4.872 4.470 -0.000 0.000 0.215 469 S C 1.377 175.980 174.600 0.005 0.000 1.009 469 S CA 1.103 59.311 58.200 0.014 0.000 0.908 469 S CB -0.035 63.185 63.200 0.033 0.000 0.801 469 S HN 1.892 nan 8.310 nan 0.000 0.505 470 G N 0.906 109.706 108.800 -0.001 0.000 2.147 470 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 470 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 470 G C -0.216 174.671 174.900 -0.022 0.000 1.005 470 G CA 0.298 45.391 45.100 -0.012 0.000 0.713 470 G HN 0.610 nan 8.290 nan 0.000 0.515 471 K N 0.152 120.537 120.400 -0.025 0.000 2.541 471 K HA 0.417 4.737 4.320 -0.000 0.000 0.250 471 K C -1.611 174.876 176.600 -0.190 0.000 0.950 471 K CA -0.855 55.387 56.287 -0.076 0.000 0.805 471 K CB 1.676 34.142 32.500 -0.057 0.000 1.166 471 K HN 0.091 nan 8.250 nan 0.000 0.430 472 D N 2.222 122.446 120.400 -0.293 0.000 2.467 472 D HA 0.047 4.687 4.640 -0.000 0.000 0.220 472 D C 0.852 176.738 176.300 -0.690 0.000 1.103 472 D CA -0.402 53.181 54.000 -0.694 0.000 0.886 472 D CB 1.133 41.755 40.800 -0.297 0.000 1.025 472 D HN 0.579 nan 8.370 nan 0.000 0.514 473 T N 0.806 114.825 114.554 -0.892 0.000 2.951 473 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 473 T C 1.907 176.331 174.700 -0.460 0.000 1.073 473 T CA 0.737 62.552 62.100 -0.476 0.000 1.134 473 T CB -0.112 68.589 68.868 -0.278 0.000 0.884 473 T HN 0.280 nan 8.240 nan 0.000 0.479 474 A N 1.294 123.767 122.820 -0.579 0.000 1.865 474 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 474 A C 1.627 178.616 177.584 -0.992 0.000 1.191 474 A CA 1.281 52.907 52.037 -0.684 0.000 0.623 474 A CB -0.644 18.098 19.000 -0.430 0.000 0.826 474 A HN 0.571 nan 8.150 nan 0.000 0.444 475 F N -2.777 117.098 119.950 -0.125 0.000 2.856 475 F HA 0.423 4.950 4.527 -0.000 0.000 0.338 475 F C 1.520 177.274 175.800 -0.076 0.000 1.100 475 F CA 0.233 58.191 58.000 -0.070 0.000 1.150 475 F CB 0.634 39.612 39.000 -0.036 0.000 1.101 475 F HN 0.417 nan 8.300 nan 0.000 0.548 476 G N 1.346 110.131 108.800 -0.025 0.000 2.159 476 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.256 476 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.256 476 G C 0.524 175.433 174.900 0.015 0.000 0.977 476 G CA -0.041 45.047 45.100 -0.019 0.000 0.652 476 G HN 0.359 nan 8.290 nan 0.000 0.531 477 R N 0.465 120.998 120.500 0.056 0.000 2.502 477 R HA 0.387 4.727 4.340 -0.000 0.000 0.292 477 R C 1.753 178.071 176.300 0.031 0.000 0.998 477 R CA 0.847 56.987 56.100 0.067 0.000 1.056 477 R CB 0.221 30.604 30.300 0.138 0.000 0.939 477 R HN 0.546 nan 8.270 nan 0.000 0.411 478 A N 3.535 126.369 122.820 0.023 0.000 2.067 478 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 478 A C 0.315 177.908 177.584 0.016 0.000 1.156 478 A CA 1.221 53.264 52.037 0.009 0.000 0.683 478 A CB 0.002 19.006 19.000 0.007 0.000 0.808 478 A HN 0.808 nan 8.150 nan 0.000 0.455 479 D N -0.773 119.648 120.400 0.035 0.000 2.575 479 D HA 0.497 5.137 4.640 -0.000 0.000 0.250 479 D C -0.848 175.495 176.300 0.072 0.000 1.279 479 D CA -0.218 53.806 54.000 0.040 0.000 0.925 479 D CB 0.597 41.416 40.800 0.031 0.000 1.261 479 D HN 0.120 nan 8.370 nan 0.000 0.567 480 M N 5.149 124.789 119.600 0.066 0.000 2.016 480 M HA 0.328 4.807 4.480 -0.000 0.000 0.315 480 M C -1.995 174.363 176.300 0.096 0.000 0.930 480 M CA -1.546 53.817 55.300 0.104 0.000 0.899 480 M CB 2.096 34.697 32.600 0.002 0.000 1.401 480 M HN 0.187 nan 8.290 nan 0.000 0.386 481 P HA 0.296 nan 4.420 nan 0.000 0.257 481 P C -0.382 176.981 177.300 0.106 0.000 1.241 481 P CA 0.541 63.693 63.100 0.086 0.000 0.816 481 P CB 0.850 32.589 31.700 0.064 0.000 1.150 482 L N 0.052 121.372 121.223 0.163 0.000 2.556 482 L HA 0.312 4.652 4.340 -0.000 0.000 0.257 482 L C -0.330 176.690 176.870 0.250 0.000 0.955 482 L CA -0.945 53.994 54.840 0.165 0.000 0.850 482 L CB 2.449 44.602 42.059 0.158 0.000 1.398 482 L HN -0.083 nan 8.230 nan 0.000 0.412 483 N N 2.019 120.850 118.700 0.218 0.000 2.643 483 N HA 0.538 5.277 4.740 -0.000 0.000 0.305 483 N C -0.969 174.694 175.510 0.255 0.000 1.283 483 N CA -0.702 52.505 53.050 0.262 0.000 0.946 483 N CB 1.483 40.066 38.487 0.160 0.000 1.149 483 N HN 0.539 nan 8.380 nan 0.000 0.600 484 M N 0.529 120.284 119.600 0.259 0.000 1.998 484 M HA 0.217 4.697 4.480 -0.000 0.000 0.289 484 M C -0.528 175.987 176.300 0.359 0.000 0.886 484 M CA -0.371 55.124 55.300 0.324 0.000 0.853 484 M CB 1.230 33.997 32.600 0.278 0.000 1.462 484 M HN 0.853 nan 8.290 nan 0.000 0.375 485 T N -2.410 112.331 114.554 0.312 0.000 3.046 485 T HA 0.253 4.603 4.350 -0.000 0.000 0.270 485 T C 0.333 175.138 174.700 0.174 0.000 0.920 485 T CA -0.226 62.029 62.100 0.257 0.000 0.874 485 T CB 0.474 69.425 68.868 0.139 0.000 1.214 485 T HN 0.508 nan 8.240 nan 0.000 0.536 486 Q N 2.278 122.088 119.800 0.016 0.000 2.333 486 Q HA 0.569 4.909 4.340 -0.000 0.000 0.268 486 Q C -0.785 174.960 176.000 -0.425 0.000 1.007 486 Q CA -0.525 55.210 55.803 -0.113 0.000 0.810 486 Q CB 2.081 30.802 28.738 -0.028 0.000 1.264 486 Q HN 0.372 nan 8.270 nan 0.000 0.452 487 S N 3.850 119.303 115.700 -0.411 0.000 2.474 487 S HA 0.472 4.942 4.470 -0.000 0.000 0.276 487 S C -2.374 172.028 174.600 -0.329 0.000 1.227 487 S CA -0.956 56.915 58.200 -0.548 0.000 1.050 487 S CB 0.433 63.504 63.200 -0.215 0.000 0.939 487 S HN 0.299 nan 8.310 nan 0.000 0.490 488 P HA 0.457 nan 4.420 nan 0.000 0.287 488 P C -1.466 175.360 177.300 -0.790 0.000 1.290 488 P CA -0.674 62.106 63.100 -0.532 0.000 0.889 488 P CB 0.470 31.810 31.700 -0.599 0.000 1.190 489 Y N -0.402 119.629 120.300 -0.449 0.000 2.387 489 Y HA 0.523 5.073 4.550 -0.000 0.000 0.336 489 Y C 0.034 175.569 175.900 -0.609 0.000 1.067 489 Y CA -0.001 57.882 58.100 -0.362 0.000 1.114 489 Y CB 1.211 39.547 38.460 -0.206 0.000 1.208 489 Y HN 0.274 nan 8.280 nan 0.000 0.458 490 Y N 0.518 120.682 120.300 -0.227 0.000 2.536 490 Y HA 0.809 5.359 4.550 -0.000 0.000 0.347 490 Y C -0.289 175.343 175.900 -0.447 0.000 1.000 490 Y CA -1.242 56.626 58.100 -0.386 0.000 1.051 490 Y CB 2.231 40.248 38.460 -0.738 0.000 1.259 490 Y HN 0.654 nan 8.280 nan 0.000 0.468 491 A N 1.017 123.827 122.820 -0.017 0.000 2.549 491 A HA 0.853 5.173 4.320 -0.000 0.000 0.297 491 A C -1.939 175.879 177.584 0.391 0.000 1.061 491 A CA -0.764 51.319 52.037 0.076 0.000 0.690 491 A CB 1.160 20.100 19.000 -0.101 0.000 1.287 491 A HN 0.513 nan 8.150 nan 0.000 0.402 492 V N 0.265 120.462 119.914 0.472 0.000 2.604 492 V HA 0.563 4.682 4.120 -0.000 0.000 0.305 492 V C -0.052 176.268 176.094 0.376 0.000 1.043 492 V CA -0.944 61.629 62.300 0.456 0.000 0.888 492 V CB 1.563 33.551 31.823 0.275 0.000 0.995 492 V HN 0.925 nan 8.190 nan 0.000 0.429 493 K N 3.234 123.714 120.400 0.132 0.000 2.276 493 K HA 0.664 4.984 4.320 -0.000 0.000 0.285 493 K C -0.579 175.902 176.600 -0.199 0.000 1.062 493 K CA -0.336 55.711 56.287 -0.399 0.000 0.918 493 K CB 1.287 33.283 32.500 -0.841 0.000 1.055 493 K HN 0.839 nan 8.250 nan 0.000 0.477 494 V N 0.014 119.858 119.914 -0.117 0.000 3.141 494 V HA 0.992 5.112 4.120 -0.000 0.000 0.312 494 V C -1.210 174.886 176.094 0.003 0.000 1.157 494 V CA -0.857 61.420 62.300 -0.039 0.000 1.041 494 V CB 1.636 33.473 31.823 0.023 0.000 1.071 494 V HN 0.873 nan 8.190 nan 0.000 0.441 495 A N 1.922 124.747 122.820 0.009 0.000 2.594 495 A HA 0.920 5.240 4.320 -0.000 0.000 0.296 495 A C -3.345 174.257 177.584 0.029 0.000 1.061 495 A CA -1.433 50.617 52.037 0.023 0.000 0.689 495 A CB 1.635 20.644 19.000 0.015 0.000 1.280 495 A HN 0.743 nan 8.150 nan 0.000 0.406 496 P HA 0.374 nan 4.420 nan 0.000 0.267 496 P C 0.250 177.574 177.300 0.040 0.000 1.200 496 P CA 0.459 63.584 63.100 0.042 0.000 0.772 496 P CB 0.806 32.518 31.700 0.019 0.000 0.855 497 G N 2.160 111.002 108.800 0.071 0.000 2.542 497 G HA2 0.561 4.521 3.960 -0.000 0.000 0.311 497 G HA3 0.561 4.521 3.960 -0.000 0.000 0.311 497 G C -0.683 174.268 174.900 0.086 0.000 1.298 497 G CA -0.862 44.272 45.100 0.057 0.000 0.973 497 G HN 0.378 nan 8.290 nan 0.000 0.487 498 I N 0.830 121.431 120.570 0.052 0.000 2.710 498 I HA 0.063 4.233 4.170 -0.000 0.000 0.286 498 I C 1.168 177.343 176.117 0.098 0.000 1.181 498 I CA 0.431 61.762 61.300 0.052 0.000 1.430 498 I CB 0.974 38.972 38.000 -0.003 0.000 1.367 498 I HN 0.834 nan 8.210 nan 0.000 0.577 499 H N 3.623 122.697 119.070 0.007 0.000 2.916 499 H HA 0.257 4.813 4.556 -0.000 0.000 0.229 499 H C -0.554 174.813 175.328 0.065 0.000 0.917 499 H CA 0.083 56.149 56.048 0.031 0.000 1.048 499 H CB 0.677 30.481 29.762 0.070 0.000 1.417 499 H HN 0.685 nan 8.280 nan 0.000 0.445 500 H N -0.287 118.721 119.070 -0.103 0.000 3.086 500 H HA 0.390 4.946 4.556 -0.001 0.000 0.353 500 H C -1.334 173.900 175.328 -0.157 0.000 1.134 500 H CA -0.200 55.740 56.048 -0.180 0.000 1.248 500 H CB 1.334 31.017 29.762 -0.131 0.000 1.878 500 H HN 0.204 nan 8.280 nan 0.000 0.527 501 T N 3.609 117.824 114.554 -0.565 0.000 2.853 501 T HA 0.203 4.553 4.350 -0.000 0.000 0.317 501 T C 1.015 175.586 174.700 -0.214 0.000 1.059 501 T CA -0.827 61.005 62.100 -0.447 0.000 0.954 501 T CB 0.516 68.816 68.868 -0.947 0.000 0.994 501 T HN 0.506 nan 8.240 nan 0.000 0.479 502 M N 2.783 122.469 119.600 0.144 0.000 2.213 502 M HA 0.165 4.644 4.480 -0.000 0.000 0.263 502 M C 1.682 178.111 176.300 0.216 0.000 1.062 502 M CA 0.913 56.401 55.300 0.312 0.000 1.105 502 M CB -0.714 32.092 32.600 0.343 0.000 1.385 502 M HN 0.810 nan 8.290 nan 0.000 0.417 503 G N -1.024 107.886 108.800 0.184 0.000 2.572 503 G HA2 0.525 4.485 3.960 -0.000 0.000 0.261 503 G HA3 0.525 4.485 3.960 -0.000 0.000 0.261 503 G C 0.154 175.143 174.900 0.148 0.000 1.197 503 G CA -0.066 45.137 45.100 0.170 0.000 0.870 503 G HN 0.541 nan 8.290 nan 0.000 0.548 504 G N -1.793 107.063 108.800 0.093 0.000 2.393 504 G HA2 0.390 4.350 3.960 -0.000 0.000 0.264 504 G HA3 0.390 4.350 3.960 -0.000 0.000 0.264 504 G C -1.127 173.787 174.900 0.022 0.000 1.221 504 G CA -0.201 44.943 45.100 0.074 0.000 0.912 504 G HN 0.943 nan 8.290 nan 0.000 0.483 505 V N 1.672 121.592 119.914 0.011 0.000 2.585 505 V HA 0.458 4.578 4.120 -0.000 0.000 0.296 505 V C 1.225 177.305 176.094 -0.024 0.000 1.035 505 V CA 0.487 62.780 62.300 -0.011 0.000 1.084 505 V CB 0.815 32.633 31.823 -0.008 0.000 0.953 505 V HN 1.321 nan 8.190 nan 0.000 0.483 506 A N 6.742 129.543 122.820 -0.031 0.000 2.425 506 A HA 0.618 4.938 4.320 -0.000 0.000 0.249 506 A C -0.446 177.103 177.584 -0.059 0.000 1.084 506 A CA 0.018 52.030 52.037 -0.042 0.000 0.781 506 A CB 0.141 19.119 19.000 -0.036 0.000 1.019 506 A HN 0.750 nan 8.150 nan 0.000 0.490 507 I N 1.290 121.816 120.570 -0.074 0.000 2.865 507 I HA 0.283 4.452 4.170 -0.000 0.000 0.302 507 I C 0.098 176.170 176.117 -0.074 0.000 1.140 507 I CA -0.665 60.586 61.300 -0.083 0.000 1.021 507 I CB 2.080 40.008 38.000 -0.120 0.000 1.233 507 I HN 0.949 nan 8.210 nan 0.000 0.427 508 N N 1.566 120.239 118.700 -0.045 0.000 2.495 508 N HA 0.131 4.871 4.740 -0.000 0.000 0.294 508 N C 0.739 176.255 175.510 0.010 0.000 1.276 508 N CA 0.258 53.297 53.050 -0.018 0.000 0.973 508 N CB 0.534 39.022 38.487 0.001 0.000 1.143 508 N HN 0.667 nan 8.380 nan 0.000 0.589 509 T N -4.247 110.338 114.554 0.053 0.000 3.007 509 T HA -0.097 4.253 4.350 -0.000 0.000 0.270 509 T C 1.322 176.126 174.700 0.173 0.000 1.107 509 T CA 1.524 63.703 62.100 0.131 0.000 1.118 509 T CB -1.031 67.902 68.868 0.108 0.000 0.889 509 T HN 0.720 nan 8.240 nan 0.000 0.506 510 T N -1.683 112.953 114.554 0.136 0.000 3.145 510 T HA 0.654 5.003 4.350 -0.000 0.000 0.255 510 T C 1.264 176.100 174.700 0.227 0.000 1.039 510 T CA 0.201 62.398 62.100 0.163 0.000 0.928 510 T CB -0.312 68.642 68.868 0.142 0.000 1.029 510 T HN 1.062 nan 8.240 nan 0.000 0.554 511 A N 0.409 123.349 122.820 0.199 0.000 2.905 511 A HA -0.150 4.170 4.320 -0.000 0.000 0.260 511 A C 0.708 178.437 177.584 0.241 0.000 1.398 511 A CA 0.529 52.686 52.037 0.200 0.000 0.840 511 A CB -2.570 16.591 19.000 0.268 0.000 1.059 511 A HN 0.585 nan 8.150 nan 0.000 0.647 512 S N -0.443 115.326 115.700 0.116 0.000 2.549 512 S HA 0.415 4.884 4.470 -0.000 0.000 0.279 512 S C 0.750 175.260 174.600 -0.150 0.000 1.321 512 S CA 0.063 58.153 58.200 -0.183 0.000 1.054 512 S CB 1.127 64.201 63.200 -0.210 0.000 0.899 512 S HN 0.855 nan 8.310 nan 0.000 0.497 513 V N 5.126 124.912 119.914 -0.214 0.000 2.715 513 V HA 0.181 4.301 4.120 -0.000 0.000 0.299 513 V C 0.299 176.310 176.094 -0.139 0.000 1.054 513 V CA -0.159 62.059 62.300 -0.138 0.000 1.077 513 V CB 0.270 32.021 31.823 -0.120 0.000 0.972 513 V HN 0.630 nan 8.190 nan 0.000 0.484 514 L N 4.071 125.236 121.223 -0.096 0.000 2.360 514 L HA 0.526 4.866 4.340 -0.000 0.000 0.271 514 L C 0.170 176.994 176.870 -0.076 0.000 1.057 514 L CA -0.887 53.903 54.840 -0.084 0.000 0.803 514 L CB 1.301 43.322 42.059 -0.063 0.000 1.207 514 L HN 0.766 nan 8.230 nan 0.000 0.445 515 D N 0.977 121.330 120.400 -0.079 0.000 2.511 515 D HA 0.176 4.816 4.640 -0.000 0.000 0.276 515 D C 0.870 177.131 176.300 -0.065 0.000 1.220 515 D CA -0.514 53.438 54.000 -0.079 0.000 1.077 515 D CB 0.578 41.315 40.800 -0.105 0.000 1.126 515 D HN 0.369 nan 8.370 nan 0.000 0.583 516 L N -0.989 120.195 121.223 -0.065 0.000 2.551 516 L HA -0.058 4.282 4.340 -0.000 0.000 0.228 516 L C 1.599 178.442 176.870 -0.044 0.000 1.153 516 L CA 0.654 55.465 54.840 -0.048 0.000 0.851 516 L CB -0.448 41.583 42.059 -0.046 0.000 0.959 516 L HN 0.248 nan 8.230 nan 0.000 0.451 517 Q N -0.396 119.372 119.800 -0.053 0.000 2.360 517 Q HA 0.042 4.382 4.340 -0.000 0.000 0.202 517 Q C 1.169 177.147 176.000 -0.037 0.000 0.915 517 Q CA 0.666 56.444 55.803 -0.042 0.000 0.943 517 Q CB 0.417 29.127 28.738 -0.047 0.000 1.064 517 Q HN 0.471 nan 8.270 nan 0.000 0.511 518 S N 0.186 115.861 115.700 -0.042 0.000 3.748 518 S HA -0.122 4.348 4.470 -0.000 0.000 0.329 518 S C -0.393 174.183 174.600 -0.040 0.000 1.104 518 S CA 0.500 58.677 58.200 -0.038 0.000 0.954 518 S CB -1.040 62.144 63.200 -0.027 0.000 0.910 518 S HN 0.241 nan 8.310 nan 0.000 0.494 519 K N 1.038 121.408 120.400 -0.050 0.000 2.267 519 K HA 0.601 4.920 4.320 -0.000 0.000 0.246 519 K C -2.944 173.612 176.600 -0.073 0.000 0.954 519 K CA -2.408 53.848 56.287 -0.052 0.000 0.824 519 K CB 1.052 33.524 32.500 -0.047 0.000 1.167 519 K HN 0.143 nan 8.250 nan 0.000 0.431 520 P HA 0.172 nan 4.420 nan 0.000 0.267 520 P C -0.119 177.100 177.300 -0.136 0.000 1.205 520 P CA 0.096 63.123 63.100 -0.122 0.000 0.765 520 P CB 0.357 31.990 31.700 -0.112 0.000 0.828 521 I N 2.638 123.103 120.570 -0.176 0.000 2.416 521 I HA 0.065 4.235 4.170 -0.000 0.000 0.288 521 I C 1.033 177.019 176.117 -0.218 0.000 1.051 521 I CA -0.286 60.923 61.300 -0.151 0.000 1.375 521 I CB 0.209 38.129 38.000 -0.134 0.000 1.407 521 I HN 0.271 nan 8.210 nan 0.000 0.516 522 D N 5.360 125.685 120.400 -0.124 0.000 2.412 522 D HA 0.239 4.879 4.640 -0.000 0.000 0.257 522 D C 1.027 177.248 176.300 -0.132 0.000 1.217 522 D CA 1.575 55.515 54.000 -0.101 0.000 0.897 522 D CB 0.422 41.249 40.800 0.046 0.000 1.132 522 D HN 0.798 nan 8.370 nan 0.000 0.493 523 G N 3.124 111.724 108.800 -0.333 0.000 2.213 523 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.236 523 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.236 523 G C 0.042 174.821 174.900 -0.202 0.000 0.991 523 G CA -0.012 45.004 45.100 -0.140 0.000 0.629 523 G HN 0.544 nan 8.290 nan 0.000 0.517 524 L N 0.757 121.687 121.223 -0.488 0.000 2.325 524 L HA 0.798 5.138 4.340 -0.000 0.000 0.281 524 L C -0.666 175.801 176.870 -0.670 0.000 1.004 524 L CA -0.834 53.791 54.840 -0.359 0.000 0.823 524 L CB 0.978 42.906 42.059 -0.220 0.000 1.236 524 L HN 0.054 nan 8.230 nan 0.000 0.415 525 F N 2.650 122.577 119.950 -0.039 0.000 2.631 525 F HA 0.859 5.386 4.527 -0.000 0.000 0.328 525 F C 0.142 175.939 175.800 -0.005 0.000 1.067 525 F CA -0.634 57.352 58.000 -0.024 0.000 0.969 525 F CB 2.075 41.066 39.000 -0.016 0.000 1.332 525 F HN 0.435 nan 8.300 nan 0.000 0.490 526 A N 0.600 123.532 122.820 0.188 0.000 2.604 526 A HA 0.932 5.252 4.320 -0.000 0.000 0.295 526 A C -1.936 175.715 177.584 0.112 0.000 1.067 526 A CA -0.346 51.757 52.037 0.110 0.000 0.683 526 A CB 1.413 20.442 19.000 0.049 0.000 1.281 526 A HN 1.503 nan 8.150 nan 0.000 0.407 527 A N 0.157 123.041 122.820 0.107 0.000 2.547 527 A HA 1.047 5.367 4.320 -0.000 0.000 0.297 527 A C 0.351 178.009 177.584 0.124 0.000 1.056 527 A CA 0.402 52.518 52.037 0.131 0.000 0.688 527 A CB 0.841 19.950 19.000 0.182 0.000 1.282 527 A HN 2.979 nan 8.150 nan 0.000 0.400 528 G N 0.558 109.443 108.800 0.141 0.000 2.416 528 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.203 528 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.203 528 G C 0.578 175.566 174.900 0.146 0.000 1.227 528 G CA 0.482 45.680 45.100 0.164 0.000 1.041 528 G HN 1.081 nan 8.290 nan 0.000 0.546 529 E N -0.652 119.622 120.200 0.124 0.000 2.274 529 E HA 0.093 4.443 4.350 -0.000 0.000 0.194 529 E C 2.526 179.138 176.600 0.019 0.000 0.996 529 E CA 1.127 57.559 56.400 0.052 0.000 0.840 529 E CB -0.005 29.622 29.700 -0.120 0.000 0.772 529 E HN 0.603 nan 8.360 nan 0.000 0.491 530 V N 0.606 120.544 119.914 0.041 0.000 2.546 530 V HA -0.170 3.950 4.120 -0.000 0.000 0.254 530 V C 0.963 177.085 176.094 0.047 0.000 1.076 530 V CA 1.560 63.888 62.300 0.047 0.000 1.087 530 V CB -0.109 31.741 31.823 0.046 0.000 0.674 530 V HN 0.187 nan 8.190 nan 0.000 0.470 531 T N -0.247 114.329 114.554 0.037 0.000 2.909 531 T HA 0.602 4.951 4.350 -0.000 0.000 0.286 531 T C 0.073 174.786 174.700 0.023 0.000 1.002 531 T CA 0.225 62.329 62.100 0.006 0.000 1.074 531 T CB 1.268 70.117 68.868 -0.031 0.000 0.984 531 T HN 0.571 nan 8.240 nan 0.000 0.495 532 G N -0.656 108.147 108.800 0.006 0.000 2.537 532 G HA2 0.558 4.518 3.960 -0.000 0.000 0.323 532 G HA3 0.558 4.518 3.960 -0.000 0.000 0.323 532 G C 0.792 175.686 174.900 -0.010 0.000 1.207 532 G CA -0.051 45.072 45.100 0.039 0.000 0.976 532 G HN 1.126 nan 8.290 nan 0.000 0.487 533 G N -1.634 107.167 108.800 0.003 0.000 2.308 533 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.221 533 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.221 533 G C 1.385 176.216 174.900 -0.115 0.000 1.032 533 G CA 0.842 45.910 45.100 -0.054 0.000 0.623 533 G HN 1.195 nan 8.290 nan 0.000 0.506 534 V N 0.578 120.362 119.914 -0.217 0.000 2.427 534 V HA -0.028 4.092 4.120 -0.000 0.000 0.248 534 V C 1.966 177.870 176.094 -0.318 0.000 1.051 534 V CA 2.711 64.809 62.300 -0.337 0.000 1.048 534 V CB -0.502 30.998 31.823 -0.537 0.000 0.666 534 V HN 0.681 nan 8.190 nan 0.000 0.456 535 H N -0.963 118.144 119.070 0.061 0.000 2.652 535 H HA 0.464 5.020 4.556 -0.000 0.000 0.274 535 H C 1.577 176.922 175.328 0.028 0.000 1.021 535 H CA 0.276 56.355 56.048 0.053 0.000 1.187 535 H CB 0.229 30.035 29.762 0.073 0.000 1.505 535 H HN 0.450 nan 8.280 nan 0.000 0.530 536 G N 1.336 110.184 108.800 0.080 0.000 2.661 536 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.327 536 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.327 536 G C 0.493 175.459 174.900 0.111 0.000 1.320 536 G CA 0.968 46.079 45.100 0.020 0.000 0.997 536 G HN 0.402 nan 8.290 nan 0.000 0.543 537 Y N 1.990 122.102 120.300 -0.313 0.000 2.490 537 Y HA 0.358 4.908 4.550 -0.000 0.000 0.281 537 Y C 1.396 177.212 175.900 -0.140 0.000 1.174 537 Y CA 0.264 58.063 58.100 -0.501 0.000 1.295 537 Y CB -0.370 37.500 38.460 -0.983 0.000 1.062 537 Y HN 0.526 nan 8.280 nan 0.000 0.522 538 N N -0.073 118.689 118.700 0.103 0.000 2.600 538 N HA 0.120 4.860 4.740 -0.000 0.000 0.272 538 N C -1.269 174.268 175.510 0.045 0.000 1.095 538 N CA -0.580 52.523 53.050 0.087 0.000 0.993 538 N CB 1.207 39.728 38.487 0.057 0.000 1.603 538 N HN -0.009 nan 8.380 nan 0.000 0.526 539 R N 4.341 124.813 120.500 -0.046 0.000 2.389 539 R HA 0.337 4.677 4.340 -0.000 0.000 0.295 539 R C -0.476 175.726 176.300 -0.163 0.000 1.075 539 R CA -0.258 55.676 56.100 -0.277 0.000 1.005 539 R CB 0.383 30.242 30.300 -0.735 0.000 0.987 539 R HN 0.565 nan 8.270 nan 0.000 0.452 540 L N 3.402 124.565 121.223 -0.101 0.000 2.397 540 L HA 0.228 4.568 4.340 -0.000 0.000 0.271 540 L C 1.164 177.975 176.870 -0.098 0.000 1.148 540 L CA -0.403 54.386 54.840 -0.085 0.000 0.825 540 L CB 0.909 42.926 42.059 -0.070 0.000 1.117 540 L HN 0.826 nan 8.230 nan 0.000 0.456 541 G N 1.032 109.791 108.800 -0.069 0.000 2.150 541 G HA2 0.297 4.257 3.960 -0.000 0.000 0.250 541 G HA3 0.297 4.257 3.960 -0.000 0.000 0.250 541 G C 0.972 175.858 174.900 -0.024 0.000 1.179 541 G CA 0.511 45.587 45.100 -0.039 0.000 0.934 541 G HN 1.086 nan 8.290 nan 0.000 0.453 542 G N 2.549 111.353 108.800 0.007 0.000 2.232 542 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.226 542 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.226 542 G C 1.201 176.159 174.900 0.098 0.000 0.996 542 G CA 0.585 45.716 45.100 0.052 0.000 0.626 542 G HN 0.655 nan 8.290 nan 0.000 0.509 543 N N 0.748 119.496 118.700 0.080 0.000 2.395 543 N HA 0.316 5.056 4.740 -0.000 0.000 0.175 543 N C 2.420 178.123 175.510 0.322 0.000 1.029 543 N CA 1.591 54.767 53.050 0.211 0.000 0.897 543 N CB -0.329 38.284 38.487 0.211 0.000 0.991 543 N HN 0.674 nan 8.380 nan 0.000 0.441 544 A N 0.955 123.876 122.820 0.169 0.000 1.929 544 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 544 A C 2.007 179.732 177.584 0.235 0.000 1.176 544 A CA 0.652 52.832 52.037 0.238 0.000 0.628 544 A CB -0.341 18.651 19.000 -0.013 0.000 0.816 544 A HN 0.094 nan 8.150 nan 0.000 0.444 545 I N 0.152 120.822 120.570 0.167 0.000 2.226 545 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 545 I C 2.911 179.138 176.117 0.184 0.000 1.100 545 I CA 1.553 62.951 61.300 0.163 0.000 1.374 545 I CB -1.426 36.653 38.000 0.131 0.000 1.057 545 I HN 0.376 nan 8.210 nan 0.000 0.413 546 A N 0.470 123.411 122.820 0.202 0.000 1.898 546 A HA -0.265 4.054 4.320 -0.000 0.000 0.216 546 A C 2.102 179.805 177.584 0.199 0.000 1.181 546 A CA 1.995 54.150 52.037 0.197 0.000 0.620 546 A CB -0.710 18.442 19.000 0.252 0.000 0.819 546 A HN 0.436 nan 8.150 nan 0.000 0.442 547 D N 0.124 120.688 120.400 0.273 0.000 2.116 547 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 547 D C 2.159 178.638 176.300 0.298 0.000 0.998 547 D CA 2.705 56.908 54.000 0.339 0.000 0.836 547 D CB -0.413 40.598 40.800 0.353 0.000 0.951 547 D HN 0.479 nan 8.370 nan 0.000 0.449 548 T N -2.179 112.524 114.554 0.249 0.000 2.833 548 T HA -0.100 4.249 4.350 -0.000 0.000 0.269 548 T C 2.135 176.947 174.700 0.187 0.000 1.054 548 T CA 1.523 63.754 62.100 0.217 0.000 1.135 548 T CB -0.678 68.311 68.868 0.200 0.000 0.869 548 T HN 0.026 nan 8.240 nan 0.000 0.466 549 V N 0.904 120.916 119.914 0.164 0.000 2.302 549 V HA -0.045 4.075 4.120 -0.000 0.000 0.243 549 V C 2.928 179.039 176.094 0.028 0.000 1.036 549 V CA 1.135 63.519 62.300 0.139 0.000 1.020 549 V CB -0.618 31.302 31.823 0.162 0.000 0.657 549 V HN 0.359 nan 8.190 nan 0.000 0.453 550 V N -0.656 119.235 119.914 -0.039 0.000 2.295 550 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 550 V C 2.162 178.055 176.094 -0.335 0.000 1.049 550 V CA 2.268 64.416 62.300 -0.253 0.000 1.024 550 V CB -0.627 30.963 31.823 -0.388 0.000 0.648 550 V HN 0.468 nan 8.190 nan 0.000 0.447 551 F N 0.719 120.678 119.950 0.015 0.000 2.569 551 F HA 0.210 4.737 4.527 -0.000 0.000 0.295 551 F C 2.285 178.094 175.800 0.016 0.000 1.115 551 F CA 0.796 58.803 58.000 0.012 0.000 1.450 551 F CB -0.979 38.038 39.000 0.027 0.000 1.107 551 F HN 0.163 nan 8.300 nan 0.000 0.563 552 G N 0.203 109.101 108.800 0.163 0.000 2.442 552 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 552 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 552 G C 1.846 176.765 174.900 0.032 0.000 1.141 552 G CA 0.609 45.780 45.100 0.118 0.000 0.763 552 G HN 0.249 nan 8.290 nan 0.000 0.554 553 R N -0.362 120.104 120.500 -0.057 0.000 2.093 553 R HA 0.228 4.568 4.340 -0.000 0.000 0.224 553 R C 2.539 178.748 176.300 -0.153 0.000 1.101 553 R CA 0.537 56.531 56.100 -0.177 0.000 0.979 553 R CB -0.269 29.816 30.300 -0.360 0.000 0.877 553 R HN 0.346 nan 8.270 nan 0.000 0.441 554 I N 0.848 121.350 120.570 -0.113 0.000 2.226 554 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 554 I C 2.559 178.659 176.117 -0.027 0.000 1.100 554 I CA 1.219 62.479 61.300 -0.066 0.000 1.374 554 I CB -0.330 37.655 38.000 -0.024 0.000 1.057 554 I HN 0.189 nan 8.210 nan 0.000 0.413 555 A N 0.809 123.647 122.820 0.030 0.000 1.902 555 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 555 A C 2.436 179.918 177.584 -0.170 0.000 1.181 555 A CA 1.913 53.955 52.037 0.008 0.000 0.623 555 A CB -1.407 17.655 19.000 0.103 0.000 0.818 555 A HN 0.452 nan 8.150 nan 0.000 0.443 556 G N -0.497 108.238 108.800 -0.109 0.000 2.402 556 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 556 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 556 G C 1.288 176.086 174.900 -0.171 0.000 1.162 556 G CA 1.392 46.418 45.100 -0.123 0.000 0.777 556 G HN 0.574 nan 8.290 nan 0.000 0.539 557 D N 0.512 120.812 120.400 -0.166 0.000 2.097 557 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 557 D C 2.289 178.477 176.300 -0.187 0.000 0.984 557 D CA 1.081 54.987 54.000 -0.156 0.000 0.826 557 D CB -0.134 40.580 40.800 -0.143 0.000 0.973 557 D HN 0.177 nan 8.370 nan 0.000 0.460 558 N N 0.115 118.668 118.700 -0.244 0.000 2.244 558 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 558 N C 1.776 176.886 175.510 -0.667 0.000 1.016 558 N CA 1.007 53.869 53.050 -0.313 0.000 0.866 558 N CB -0.226 38.150 38.487 -0.186 0.000 0.980 558 N HN 0.235 nan 8.380 nan 0.000 0.430 559 A N 1.376 123.598 122.820 -0.997 0.000 1.908 559 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 559 A C 2.406 179.832 177.584 -0.264 0.000 1.181 559 A CA 1.960 53.462 52.037 -0.892 0.000 0.627 559 A CB -0.633 18.047 19.000 -0.534 0.000 0.818 559 A HN 0.341 nan 8.150 nan 0.000 0.445 560 A N -0.642 122.068 122.820 -0.183 0.000 1.897 560 A HA -0.053 4.266 4.320 -0.000 0.000 0.215 560 A C 2.087 179.652 177.584 -0.032 0.000 1.181 560 A CA 1.653 53.648 52.037 -0.070 0.000 0.620 560 A CB -0.384 18.578 19.000 -0.062 0.000 0.821 560 A HN 0.491 nan 8.150 nan 0.000 0.443 561 K N -1.077 119.297 120.400 -0.044 0.000 2.103 561 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 561 K C 2.093 178.726 176.600 0.054 0.000 1.048 561 K CA 1.549 57.835 56.287 -0.002 0.000 0.930 561 K CB -0.273 32.223 32.500 -0.007 0.000 0.716 561 K HN 0.723 nan 8.250 nan 0.000 0.444 562 H N -0.378 118.686 119.070 -0.010 0.000 2.436 562 H HA 0.071 4.627 4.556 -0.000 0.000 0.294 562 H C 1.653 177.019 175.328 0.063 0.000 1.048 562 H CA 1.225 57.318 56.048 0.075 0.000 1.353 562 H CB 0.341 30.233 29.762 0.217 0.000 1.414 562 H HN 0.202 nan 8.280 nan 0.000 0.536 563 A N 1.499 124.366 122.820 0.079 0.000 1.872 563 A HA 0.087 4.407 4.320 -0.000 0.000 0.214 563 A C 1.869 179.439 177.584 -0.024 0.000 1.187 563 A CA 0.338 52.391 52.037 0.027 0.000 0.614 563 A CB -0.430 18.607 19.000 0.062 0.000 0.826 563 A HN 0.264 nan 8.150 nan 0.000 0.442 564 L N -1.068 120.147 121.223 -0.014 0.000 2.859 564 L HA 0.487 4.827 4.340 -0.000 0.000 0.181 564 L C 0.155 177.005 176.870 -0.033 0.000 1.196 564 L CA 0.120 54.949 54.840 -0.018 0.000 1.062 564 L CB -0.003 42.050 42.059 -0.010 0.000 1.961 564 L HN 0.697 nan 8.230 nan 0.000 0.507 565 D N 0.000 120.386 120.400 -0.024 0.000 6.856 565 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 565 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 565 D CB 0.000 40.766 40.800 -0.056 0.000 0.688 565 D HN 0.000 nan 8.370 nan 0.000 0.683