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 1zmc_1_A DATA FIRST_RESID 3 DATA SEQUENCE QPIDADVTVI GSGPGGYVAA IKAAQLGFKT VCIEKNETLG GTcLNVGcIP DATA SEQUENCE SKALLNNSHY YHMAHGTDFA SRGIEMSEVR LNLDKMMEQK STAVKALTGG DATA SEQUENCE IAHLFKQNKV VHVNGYGKIT GKNQVTATKA DGGTQVIDTK NILIATGSEV DATA SEQUENCE TPFPGITIDE DTIVSSTGAL SLKKVPEKMV VIGAGVIGVE LGSVWQRLGA DATA SEQUENCE DVTAVEFLGH VGGVGIDMEI SKNFQRILQK QGFKFKLNTK VTGATKKSDG DATA SEQUENCE KIDVSIEAAS GGKAEVITCD VLLVCIGRRP FTKNLGLEEL GIELDPRGRI DATA SEQUENCE PVNTRFQTKI PNIYAIGDVV AGPMLAHKAE DEGIICVEGM AGGAVHIDYN DATA SEQUENCE CVPSVIYTHP EVAWVGKSEE QLKEEGIEYK VGKFPFAANS RAKTNADTDG DATA SEQUENCE MVKILGQKST DRVLGAHILG PGAGEMVNEA ALALEYGASC EDIARVCHAH DATA SEQUENCE PTLSEAFREA NLAASFGKSI NF 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.004 176.000 0.007 0.000 1.003 3 Q CA 0.000 55.806 55.803 0.006 0.000 1.022 3 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 4 P HA 0.351 nan 4.420 nan 0.000 0.274 4 P C -0.720 176.585 177.300 0.007 0.000 1.237 4 P CA -0.323 62.782 63.100 0.008 0.000 0.793 4 P CB 0.975 32.680 31.700 0.008 0.000 0.977 5 I N 1.143 121.717 120.570 0.007 0.000 2.646 5 I HA 0.401 4.572 4.170 0.000 0.000 0.299 5 I C -1.234 174.886 176.117 0.006 0.000 1.036 5 I CA -0.966 60.338 61.300 0.006 0.000 1.074 5 I CB 1.907 39.911 38.000 0.005 0.000 1.258 5 I HN 0.424 nan 8.210 nan 0.000 0.430 6 D N 6.302 126.705 120.400 0.006 0.000 2.498 6 D HA 0.775 5.415 4.640 0.000 0.000 0.247 6 D C -1.062 175.241 176.300 0.006 0.000 1.070 6 D CA -0.469 53.535 54.000 0.007 0.000 0.842 6 D CB 2.100 42.906 40.800 0.009 0.000 1.361 6 D HN 0.703 nan 8.370 nan 0.000 0.484 7 A N 1.428 124.250 122.820 0.003 0.000 2.569 7 A HA 0.514 4.834 4.320 0.000 0.000 0.290 7 A C -0.183 177.403 177.584 0.002 0.000 1.136 7 A CA -0.732 51.306 52.037 0.001 0.000 0.710 7 A CB 1.540 20.530 19.000 -0.017 0.000 1.303 7 A HN 0.554 nan 8.150 nan 0.000 0.413 8 D N -0.749 119.658 120.400 0.012 0.000 2.262 8 D HA 0.174 4.814 4.640 0.000 0.000 0.212 8 D C 0.005 176.221 176.300 -0.141 0.000 0.964 8 D CA 1.540 55.540 54.000 0.001 0.000 0.875 8 D CB 0.557 41.460 40.800 0.171 0.000 0.996 8 D HN 0.208 nan 8.370 nan 0.000 0.497 9 V N 0.873 120.696 119.914 -0.152 0.000 2.623 9 V HA 0.304 4.424 4.120 0.000 0.000 0.304 9 V C -0.428 175.589 176.094 -0.129 0.000 1.054 9 V CA -0.605 61.567 62.300 -0.213 0.000 0.882 9 V CB 2.202 33.810 31.823 -0.359 0.000 1.002 9 V HN -0.159 nan 8.190 nan 0.000 0.424 10 T N 4.168 118.662 114.554 -0.101 0.000 2.809 10 T HA 0.498 4.848 4.350 0.000 0.000 0.296 10 T C -0.296 174.367 174.700 -0.062 0.000 1.015 10 T CA -0.343 61.718 62.100 -0.065 0.000 0.954 10 T CB 1.403 70.252 68.868 -0.033 0.000 0.950 10 T HN 0.351 nan 8.240 nan 0.000 0.450 11 V N 5.458 125.334 119.914 -0.064 0.000 2.407 11 V HA 0.414 4.534 4.120 0.000 0.000 0.278 11 V C 0.183 176.271 176.094 -0.011 0.000 1.037 11 V CA -0.714 61.557 62.300 -0.047 0.000 0.900 11 V CB 0.971 32.760 31.823 -0.057 0.000 0.983 11 V HN 0.801 nan 8.190 nan 0.000 0.459 12 I N 4.943 125.510 120.570 -0.004 0.000 2.306 12 I HA 0.696 4.866 4.170 0.000 0.000 0.288 12 I C 0.688 176.813 176.117 0.012 0.000 1.036 12 I CA 0.059 61.361 61.300 0.003 0.000 1.221 12 I CB 0.980 38.974 38.000 -0.010 0.000 1.385 12 I HN 0.876 nan 8.210 nan 0.000 0.472 13 G N 3.696 112.513 108.800 0.029 0.000 3.014 13 G HA2 -0.076 3.884 3.960 0.000 0.000 0.683 13 G HA3 -0.076 3.884 3.960 0.000 0.000 0.683 13 G C -0.162 174.784 174.900 0.078 0.000 1.271 13 G CA -0.305 44.819 45.100 0.040 0.000 0.843 13 G HN 0.680 nan 8.290 nan 0.000 0.612 14 S N 1.032 116.780 115.700 0.080 0.000 2.562 14 S HA 0.624 5.094 4.470 0.000 0.000 0.246 14 S C 1.193 175.862 174.600 0.115 0.000 1.056 14 S CA 0.676 58.952 58.200 0.126 0.000 1.042 14 S CB 0.564 63.791 63.200 0.045 0.000 0.822 14 S HN 1.863 nan 8.310 nan 0.000 0.465 15 G N 2.192 111.056 108.800 0.107 0.000 2.535 15 G HA2 0.456 4.416 3.960 0.000 0.000 0.282 15 G HA3 0.456 4.416 3.960 0.000 0.000 0.282 15 G C -1.666 173.365 174.900 0.218 0.000 1.350 15 G CA -1.707 43.459 45.100 0.109 0.000 1.039 15 G HN 0.185 nan 8.290 nan 0.000 0.509 16 P HA -0.143 nan 4.420 nan 0.000 0.216 16 P C 1.973 179.260 177.300 -0.022 0.000 1.154 16 P CA 2.064 65.255 63.100 0.152 0.000 0.865 16 P CB 0.008 31.763 31.700 0.090 0.000 0.789 17 G N -0.747 108.045 108.800 -0.014 0.000 2.414 17 G HA2 -0.162 3.798 3.960 0.000 0.000 0.215 17 G HA3 -0.162 3.798 3.960 0.000 0.000 0.215 17 G C 1.816 176.670 174.900 -0.077 0.000 1.188 17 G CA 0.906 45.962 45.100 -0.073 0.000 0.783 17 G HN 0.354 nan 8.290 nan 0.000 0.537 18 G N 0.491 109.292 108.800 0.002 0.000 2.459 18 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 18 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 18 G C 1.737 176.697 174.900 0.099 0.000 1.183 18 G CA 1.483 46.606 45.100 0.038 0.000 0.776 18 G HN 0.621 nan 8.290 nan 0.000 0.552 19 Y N 0.772 121.130 120.300 0.097 0.000 2.242 19 Y HA 0.045 4.595 4.550 0.000 0.000 0.291 19 Y C 2.474 178.479 175.900 0.175 0.000 1.137 19 Y CA 1.255 59.490 58.100 0.226 0.000 1.181 19 Y CB -0.653 37.856 38.460 0.083 0.000 0.989 19 Y HN 0.015 nan 8.280 nan 0.000 0.527 20 V N 1.308 120.767 119.914 -0.758 0.000 2.427 20 V HA -0.259 3.861 4.120 0.000 0.000 0.248 20 V C 2.845 178.796 176.094 -0.238 0.000 1.051 20 V CA 1.805 63.738 62.300 -0.612 0.000 1.048 20 V CB -1.374 30.112 31.823 -0.562 0.000 0.666 20 V HN 0.658 nan 8.190 nan 0.000 0.456 21 A N -0.151 122.562 122.820 -0.178 0.000 1.930 21 A HA -0.064 4.256 4.320 0.000 0.000 0.217 21 A C 2.415 179.939 177.584 -0.100 0.000 1.175 21 A CA 1.888 53.844 52.037 -0.135 0.000 0.627 21 A CB -0.693 18.221 19.000 -0.144 0.000 0.815 21 A HN 0.548 nan 8.150 nan 0.000 0.443 22 A N 0.004 122.781 122.820 -0.072 0.000 1.902 22 A HA -0.082 4.238 4.320 0.000 0.000 0.217 22 A C 2.116 179.646 177.584 -0.090 0.000 1.181 22 A CA 1.552 53.520 52.037 -0.115 0.000 0.623 22 A CB -0.598 18.278 19.000 -0.207 0.000 0.818 22 A HN 0.487 nan 8.150 nan 0.000 0.443 23 I N -0.843 119.724 120.570 -0.005 0.000 2.179 23 I HA -0.237 3.933 4.170 0.000 0.000 0.242 23 I C 2.522 178.637 176.117 -0.003 0.000 1.088 23 I CA 1.815 63.133 61.300 0.029 0.000 1.357 23 I CB -0.167 37.895 38.000 0.103 0.000 1.051 23 I HN 0.234 nan 8.210 nan 0.000 0.409 24 K N 1.431 121.817 120.400 -0.024 0.000 2.026 24 K HA -0.131 4.189 4.320 0.000 0.000 0.208 24 K C 2.081 178.694 176.600 0.022 0.000 1.048 24 K CA 1.741 58.019 56.287 -0.015 0.000 0.929 24 K CB -0.452 32.024 32.500 -0.040 0.000 0.713 24 K HN 0.279 nan 8.250 nan 0.000 0.439 25 A N 0.533 123.372 122.820 0.032 0.000 1.883 25 A HA -0.118 4.202 4.320 0.000 0.000 0.217 25 A C 2.382 180.064 177.584 0.163 0.000 1.186 25 A CA 2.241 54.373 52.037 0.158 0.000 0.624 25 A CB -1.189 17.834 19.000 0.038 0.000 0.822 25 A HN 0.432 nan 8.150 nan 0.000 0.444 26 A N -0.637 122.213 122.820 0.051 0.000 1.902 26 A HA -0.233 4.087 4.320 0.000 0.000 0.217 26 A C 2.080 179.666 177.584 0.004 0.000 1.181 26 A CA 1.688 53.738 52.037 0.022 0.000 0.623 26 A CB -0.629 18.355 19.000 -0.027 0.000 0.818 26 A HN 0.674 nan 8.150 nan 0.000 0.443 27 Q N -0.663 119.138 119.800 0.000 0.000 2.364 27 Q HA 0.052 4.392 4.340 0.000 0.000 0.207 27 Q C 1.554 177.532 176.000 -0.038 0.000 0.970 27 Q CA 0.775 56.569 55.803 -0.015 0.000 0.888 27 Q CB -0.211 28.522 28.738 -0.007 0.000 0.951 27 Q HN 0.658 nan 8.270 nan 0.000 0.469 28 L N -1.114 120.084 121.223 -0.041 0.000 2.558 28 L HA 0.131 4.471 4.340 0.000 0.000 0.225 28 L C 1.128 177.839 176.870 -0.265 0.000 1.128 28 L CA 0.504 55.271 54.840 -0.122 0.000 0.868 28 L CB 0.240 42.249 42.059 -0.082 0.000 1.006 28 L HN 0.419 nan 8.230 nan 0.000 0.454 29 G N -0.963 107.720 108.800 -0.194 0.000 2.184 29 G HA2 -0.242 3.718 3.960 0.000 0.000 0.206 29 G HA3 -0.242 3.718 3.960 0.000 0.000 0.206 29 G C 0.021 174.803 174.900 -0.197 0.000 0.995 29 G CA -0.704 44.267 45.100 -0.215 0.000 0.651 29 G HN 0.070 nan 8.290 nan 0.000 0.511 30 F N 1.475 121.397 119.950 -0.047 0.000 2.412 30 F HA 0.493 5.020 4.527 0.000 0.000 0.348 30 F C 1.008 176.775 175.800 -0.054 0.000 1.102 30 F CA -0.575 57.395 58.000 -0.050 0.000 1.196 30 F CB 1.204 40.166 39.000 -0.063 0.000 1.144 30 F HN 0.019 nan 8.300 nan 0.000 0.541 31 K N 2.591 123.094 120.400 0.173 0.000 2.363 31 K HA 0.186 4.506 4.320 0.000 0.000 0.289 31 K C -0.732 175.892 176.600 0.040 0.000 1.063 31 K CA 0.121 56.449 56.287 0.069 0.000 0.967 31 K CB 0.017 32.547 32.500 0.050 0.000 0.987 31 K HN 0.680 nan 8.250 nan 0.000 0.473 32 T N 2.976 117.527 114.554 -0.006 0.000 2.823 32 T HA 0.382 4.732 4.350 0.000 0.000 0.279 32 T C -0.954 173.682 174.700 -0.106 0.000 0.998 32 T CA -0.710 61.351 62.100 -0.065 0.000 0.994 32 T CB 1.686 70.502 68.868 -0.087 0.000 0.960 32 T HN 0.253 nan 8.240 nan 0.000 0.448 33 V N 2.002 121.853 119.914 -0.105 0.000 2.588 33 V HA 0.523 4.643 4.120 0.000 0.000 0.304 33 V C -0.481 175.550 176.094 -0.105 0.000 1.042 33 V CA -0.817 61.427 62.300 -0.093 0.000 0.877 33 V CB 1.792 33.591 31.823 -0.041 0.000 0.996 33 V HN 1.104 nan 8.190 nan 0.000 0.425 34 C N 7.248 126.480 119.300 -0.113 0.000 2.369 34 C HA 0.730 5.190 4.460 0.000 0.000 0.322 34 C C -0.372 174.677 174.990 0.100 0.000 1.258 34 C CA -0.517 58.473 59.018 -0.047 0.000 1.487 34 C CB -0.348 27.311 27.740 -0.136 0.000 2.165 34 C HN 0.799 nan 8.230 nan 0.000 0.483 35 I N 4.584 125.212 120.570 0.097 0.000 2.412 35 I HA 0.558 4.728 4.170 0.000 0.000 0.296 35 I C -0.479 175.714 176.117 0.126 0.000 0.987 35 I CA -0.016 61.362 61.300 0.131 0.000 1.180 35 I CB 1.731 39.773 38.000 0.070 0.000 1.340 35 I HN 0.581 nan 8.210 nan 0.000 0.455 36 E N 4.918 125.223 120.200 0.174 0.000 2.278 36 E HA 0.242 4.592 4.350 0.000 0.000 0.272 36 E C -0.070 176.606 176.600 0.127 0.000 0.890 36 E CA -0.767 55.710 56.400 0.129 0.000 0.770 36 E CB 1.549 31.329 29.700 0.135 0.000 1.212 36 E HN 0.578 nan 8.360 nan 0.000 0.415 37 K N 2.480 122.923 120.400 0.072 0.000 2.186 37 K HA 0.134 4.454 4.320 0.000 0.000 0.202 37 K C 0.172 176.829 176.600 0.095 0.000 1.052 37 K CA 0.241 56.590 56.287 0.104 0.000 0.965 37 K CB -0.037 32.536 32.500 0.122 0.000 0.746 37 K HN 0.202 nan 8.250 nan 0.000 0.457 38 N N 2.065 120.802 118.700 0.062 0.000 2.424 38 N HA 0.008 4.748 4.740 0.000 0.000 0.257 38 N C 0.458 176.001 175.510 0.056 0.000 1.250 38 N CA -0.144 52.932 53.050 0.042 0.000 0.946 38 N CB 0.777 39.267 38.487 0.007 0.000 1.175 38 N HN 0.192 nan 8.380 nan 0.000 0.477 39 E N -0.742 119.480 120.200 0.037 0.000 2.333 39 E HA -0.075 4.275 4.350 0.000 0.000 0.198 39 E C 0.162 176.787 176.600 0.042 0.000 1.007 39 E CA 0.828 57.251 56.400 0.039 0.000 0.845 39 E CB -0.015 29.697 29.700 0.020 0.000 0.766 39 E HN 0.720 nan 8.360 nan 0.000 0.507 40 T N -2.159 112.405 114.554 0.017 0.000 2.865 40 T HA 0.582 4.932 4.350 0.000 0.000 0.294 40 T C -0.191 174.472 174.700 -0.063 0.000 1.119 40 T CA -0.961 61.127 62.100 -0.019 0.000 1.007 40 T CB 1.522 70.361 68.868 -0.048 0.000 1.225 40 T HN -0.111 nan 8.240 nan 0.000 0.515 41 L N 0.423 121.551 121.223 -0.157 0.000 2.431 41 L HA 0.667 5.007 4.340 0.000 0.000 0.260 41 L C 1.660 178.388 176.870 -0.236 0.000 1.098 41 L CA -0.054 54.637 54.840 -0.248 0.000 0.800 41 L CB 0.765 42.535 42.059 -0.480 0.000 1.210 41 L HN 1.201 nan 8.230 nan 0.000 0.465 42 G N -0.463 108.202 108.800 -0.226 0.000 2.201 42 G HA2 -0.031 3.929 3.960 0.000 0.000 0.212 42 G HA3 -0.031 3.929 3.960 0.000 0.000 0.212 42 G C 0.638 175.496 174.900 -0.070 0.000 0.994 42 G CA -0.007 44.974 45.100 -0.197 0.000 0.644 42 G HN 1.376 nan 8.290 nan 0.000 0.508 43 G N -0.619 108.151 108.800 -0.050 0.000 2.591 43 G HA2 -0.110 3.850 3.960 0.000 0.000 0.278 43 G HA3 -0.110 3.850 3.960 0.000 0.000 0.278 43 G C 1.138 176.020 174.900 -0.029 0.000 1.293 43 G CA 1.375 46.459 45.100 -0.026 0.000 0.930 43 G HN 1.321 nan 8.290 nan 0.000 0.562 44 T N -0.528 114.014 114.554 -0.019 0.000 2.635 44 T HA -0.283 4.067 4.350 0.000 0.000 0.267 44 T C 2.475 177.169 174.700 -0.009 0.000 1.040 44 T CA 2.758 64.848 62.100 -0.016 0.000 1.156 44 T CB -0.808 68.055 68.868 -0.008 0.000 0.863 44 T HN 1.019 nan 8.240 nan 0.000 0.430 45 c N 1.015 119.616 118.600 0.002 0.000 2.393 45 c HA -0.066 4.504 4.570 0.000 0.000 0.276 45 c C 2.604 176.684 174.090 -0.017 0.000 1.215 45 c CA 1.055 57.386 56.329 0.003 0.000 1.743 45 c CB -1.368 41.157 42.510 0.025 0.000 2.044 45 c HN 0.538 nan 8.230 nan 0.000 0.464 46 L N 1.600 122.806 121.223 -0.029 0.000 2.072 46 L HA 0.047 4.387 4.340 0.000 0.000 0.205 46 L C 2.184 179.022 176.870 -0.054 0.000 1.079 46 L CA 2.022 56.830 54.840 -0.054 0.000 0.752 46 L CB -1.085 40.919 42.059 -0.093 0.000 0.906 46 L HN 0.415 nan 8.230 nan 0.000 0.436 47 N N -0.497 118.174 118.700 -0.049 0.000 2.251 47 N HA -0.001 4.739 4.740 0.000 0.000 0.181 47 N C 1.048 176.541 175.510 -0.027 0.000 1.019 47 N CA 1.715 54.739 53.050 -0.042 0.000 0.862 47 N CB 0.457 38.918 38.487 -0.044 0.000 0.992 47 N HN 0.412 nan 8.380 nan 0.000 0.429 48 V N -3.502 116.399 119.914 -0.020 0.000 3.070 48 V HA 0.645 4.765 4.120 0.000 0.000 0.355 48 V C 0.429 176.524 176.094 0.002 0.000 1.400 48 V CA -0.183 62.113 62.300 -0.007 0.000 1.170 48 V CB 0.558 32.378 31.823 -0.006 0.000 1.169 48 V HN 0.132 nan 8.190 nan 0.000 0.554 49 G N -0.072 108.725 108.800 -0.005 0.000 3.324 49 G HA2 0.201 4.161 3.960 0.000 0.000 0.188 49 G HA3 0.201 4.161 3.960 0.000 0.000 0.188 49 G C 0.997 175.888 174.900 -0.014 0.000 1.384 49 G CA 0.692 45.794 45.100 0.002 0.000 0.841 49 G HN 0.297 nan 8.290 nan 0.000 0.758 50 c N 1.136 119.722 118.600 -0.022 0.000 2.349 50 c HA -0.099 4.471 4.570 0.000 0.000 0.274 50 c C 2.763 176.788 174.090 -0.108 0.000 1.178 50 c CA 0.662 56.949 56.329 -0.070 0.000 1.769 50 c CB -1.364 41.110 42.510 -0.061 0.000 2.047 50 c HN 0.411 nan 8.230 nan 0.000 0.448 51 I N 2.605 123.128 120.570 -0.078 0.000 2.058 51 I HA -0.115 4.055 4.170 0.000 0.000 0.235 51 I C 0.266 176.341 176.117 -0.070 0.000 1.053 51 I CA 1.732 62.984 61.300 -0.080 0.000 1.313 51 I CB -2.905 35.059 38.000 -0.061 0.000 1.039 51 I HN 0.236 nan 8.210 nan 0.000 0.396 52 P HA -0.133 nan 4.420 nan 0.000 0.218 52 P C 1.865 179.141 177.300 -0.040 0.000 1.148 52 P CA 2.212 65.290 63.100 -0.037 0.000 0.822 52 P CB -0.102 31.587 31.700 -0.020 0.000 0.784 53 S N 0.159 115.835 115.700 -0.039 0.000 2.355 53 S HA -0.124 4.346 4.470 0.000 0.000 0.222 53 S C 2.101 176.664 174.600 -0.062 0.000 1.031 53 S CA 1.094 59.274 58.200 -0.033 0.000 0.993 53 S CB -0.972 62.225 63.200 -0.005 0.000 0.859 53 S HN -0.037 nan 8.310 nan 0.000 0.453 54 K N 2.019 122.348 120.400 -0.118 0.000 2.152 54 K HA 0.196 4.516 4.320 0.000 0.000 0.206 54 K C 2.275 178.833 176.600 -0.069 0.000 1.048 54 K CA 1.180 57.377 56.287 -0.151 0.000 0.933 54 K CB -0.924 31.402 32.500 -0.291 0.000 0.721 54 K HN 0.526 nan 8.250 nan 0.000 0.447 55 A N 0.580 123.365 122.820 -0.059 0.000 1.858 55 A HA -0.146 4.174 4.320 0.000 0.000 0.216 55 A C 2.097 179.662 177.584 -0.031 0.000 1.190 55 A CA 1.406 53.424 52.037 -0.031 0.000 0.617 55 A CB -0.734 18.245 19.000 -0.035 0.000 0.827 55 A HN 0.212 nan 8.150 nan 0.000 0.443 56 L N -0.708 120.475 121.223 -0.067 0.000 2.042 56 L HA -0.210 4.130 4.340 0.000 0.000 0.210 56 L C 2.660 179.474 176.870 -0.094 0.000 1.076 56 L CA 1.217 55.983 54.840 -0.122 0.000 0.749 56 L CB -0.673 41.271 42.059 -0.192 0.000 0.893 56 L HN 0.389 nan 8.230 nan 0.000 0.432 57 L N -0.091 121.102 121.223 -0.049 0.000 2.013 57 L HA -0.288 4.052 4.340 0.000 0.000 0.212 57 L C 2.396 179.295 176.870 0.048 0.000 1.073 57 L CA 1.737 56.582 54.840 0.009 0.000 0.753 57 L CB -0.506 41.582 42.059 0.049 0.000 0.890 57 L HN 0.381 nan 8.230 nan 0.000 0.432 58 N N -0.169 118.565 118.700 0.058 0.000 2.106 58 N HA -0.174 4.566 4.740 0.000 0.000 0.188 58 N C 1.592 177.213 175.510 0.185 0.000 1.029 58 N CA 1.415 54.536 53.050 0.118 0.000 0.848 58 N CB -0.021 38.560 38.487 0.157 0.000 1.007 58 N HN 0.212 nan 8.380 nan 0.000 0.423 59 N N -0.154 118.629 118.700 0.137 0.000 2.142 59 N HA -0.116 4.624 4.740 0.000 0.000 0.186 59 N C 1.789 177.365 175.510 0.111 0.000 1.023 59 N CA 1.476 54.614 53.050 0.146 0.000 0.852 59 N CB -0.739 37.771 38.487 0.038 0.000 0.998 59 N HN 0.434 nan 8.380 nan 0.000 0.424 60 S N 0.312 116.027 115.700 0.025 0.000 2.382 60 S HA -0.207 4.263 4.470 0.000 0.000 0.228 60 S C 1.936 176.609 174.600 0.121 0.000 1.027 60 S CA 1.376 59.591 58.200 0.025 0.000 0.991 60 S CB -0.689 62.454 63.200 -0.094 0.000 0.823 60 S HN 0.509 nan 8.310 nan 0.000 0.469 61 H N 0.500 119.561 119.070 -0.015 0.000 2.353 61 H HA -0.039 4.517 4.556 0.000 0.000 0.300 61 H C 1.666 176.895 175.328 -0.165 0.000 1.090 61 H CA 1.826 57.815 56.048 -0.097 0.000 1.327 61 H CB -0.614 29.005 29.762 -0.238 0.000 1.383 61 H HN 0.455 nan 8.280 nan 0.000 0.508 62 Y N -0.962 119.242 120.300 -0.161 0.000 2.314 62 Y HA -0.149 4.401 4.550 0.000 0.000 0.293 62 Y C 2.312 178.054 175.900 -0.263 0.000 1.129 62 Y CA 1.248 59.181 58.100 -0.278 0.000 1.201 62 Y CB -0.903 37.506 38.460 -0.085 0.000 0.999 62 Y HN 0.341 nan 8.280 nan 0.000 0.541 63 Y N 0.057 120.314 120.300 -0.071 0.000 2.128 63 Y HA -0.330 4.220 4.550 0.000 0.000 0.284 63 Y C 2.791 178.650 175.900 -0.067 0.000 1.154 63 Y CA 2.236 60.286 58.100 -0.083 0.000 1.149 63 Y CB -1.064 37.354 38.460 -0.071 0.000 0.976 63 Y HN 0.334 nan 8.280 nan 0.000 0.505 64 H N -0.790 118.129 119.070 -0.251 0.000 2.387 64 H HA -0.167 4.389 4.556 0.000 0.000 0.299 64 H C 1.841 176.941 175.328 -0.379 0.000 1.099 64 H CA 1.492 57.358 56.048 -0.303 0.000 1.315 64 H CB 0.113 29.767 29.762 -0.180 0.000 1.380 64 H HN 0.305 nan 8.280 nan 0.000 0.513 65 M N 0.078 119.330 119.600 -0.579 0.000 2.319 65 M HA -0.031 4.449 4.480 0.000 0.000 0.265 65 M C 2.545 178.396 176.300 -0.748 0.000 1.068 65 M CA 0.991 55.895 55.300 -0.661 0.000 1.118 65 M CB -0.691 31.534 32.600 -0.625 0.000 1.395 65 M HN 0.403 nan 8.290 nan 0.000 0.435 66 A N -0.957 121.393 122.820 -0.783 0.000 1.887 66 A HA -0.129 4.191 4.320 0.000 0.000 0.212 66 A C 2.013 179.416 177.584 -0.302 0.000 1.198 66 A CA 1.443 53.104 52.037 -0.626 0.000 0.628 66 A CB -0.872 17.834 19.000 -0.491 0.000 0.847 66 A HN 0.488 nan 8.150 nan 0.000 0.449 67 H N 0.009 118.792 119.070 -0.477 0.000 2.357 67 H HA 0.157 4.713 4.556 0.000 0.000 0.301 67 H C 1.474 176.654 175.328 -0.246 0.000 1.082 67 H CA 1.051 56.849 56.048 -0.416 0.000 1.342 67 H CB -0.548 28.726 29.762 -0.813 0.000 1.389 67 H HN 0.434 nan 8.280 nan 0.000 0.511 68 G N -1.337 107.301 108.800 -0.270 0.000 2.489 68 G HA2 0.107 4.067 3.960 0.000 0.000 0.271 68 G HA3 0.107 4.067 3.960 0.000 0.000 0.271 68 G C 1.015 175.809 174.900 -0.176 0.000 1.427 68 G CA 0.329 45.303 45.100 -0.209 0.000 1.057 68 G HN 0.486 nan 8.290 nan 0.000 0.532 69 T N -2.827 111.654 114.554 -0.121 0.000 3.081 69 T HA 0.004 4.354 4.350 0.000 0.000 0.255 69 T C 1.538 176.219 174.700 -0.033 0.000 1.113 69 T CA 1.260 63.319 62.100 -0.070 0.000 1.082 69 T CB 0.044 68.886 68.868 -0.044 0.000 0.939 69 T HN 0.470 nan 8.240 nan 0.000 0.506 70 D N 0.839 121.204 120.400 -0.058 0.000 2.087 70 D HA -0.157 4.483 4.640 0.000 0.000 0.192 70 D C 1.532 177.939 176.300 0.179 0.000 0.993 70 D CA 1.237 55.254 54.000 0.028 0.000 0.828 70 D CB -0.190 40.597 40.800 -0.021 0.000 0.968 70 D HN 0.330 nan 8.370 nan 0.000 0.448 71 F N 1.402 121.295 119.950 -0.095 0.000 2.171 71 F HA -0.054 4.473 4.527 0.000 0.000 0.300 71 F C 2.596 178.366 175.800 -0.050 0.000 1.090 71 F CA 0.776 58.739 58.000 -0.061 0.000 1.293 71 F CB -1.148 37.818 39.000 -0.057 0.000 1.013 71 F HN 0.006 nan 8.300 nan 0.000 0.486 72 A N -0.207 122.692 122.820 0.132 0.000 1.940 72 A HA -0.215 4.105 4.320 0.000 0.000 0.219 72 A C 2.308 179.905 177.584 0.023 0.000 1.176 72 A CA 2.089 54.156 52.037 0.051 0.000 0.631 72 A CB -1.189 17.820 19.000 0.016 0.000 0.814 72 A HN 0.394 nan 8.150 nan 0.000 0.446 73 S N -1.003 114.710 115.700 0.022 0.000 2.603 73 S HA 0.010 4.480 4.470 0.000 0.000 0.229 73 S C 1.451 176.045 174.600 -0.010 0.000 0.972 73 S CA 0.772 58.975 58.200 0.006 0.000 0.935 73 S CB -0.239 62.966 63.200 0.008 0.000 0.769 73 S HN 0.619 nan 8.310 nan 0.000 0.536 74 R N 0.064 120.547 120.500 -0.029 0.000 2.397 74 R HA 0.340 4.680 4.340 0.000 0.000 0.241 74 R C 1.212 177.468 176.300 -0.074 0.000 0.914 74 R CA 0.375 56.432 56.100 -0.072 0.000 1.071 74 R CB 0.438 30.648 30.300 -0.151 0.000 1.116 74 R HN 0.494 nan 8.270 nan 0.000 0.524 75 G N 1.649 110.422 108.800 -0.046 0.000 2.130 75 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 75 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 75 G C 0.039 174.913 174.900 -0.044 0.000 0.999 75 G CA -0.416 44.661 45.100 -0.038 0.000 0.686 75 G HN 0.227 nan 8.290 nan 0.000 0.515 76 I N 1.515 122.058 120.570 -0.045 0.000 2.361 76 I HA 0.280 4.450 4.170 0.000 0.000 0.282 76 I C 0.166 176.313 176.117 0.049 0.000 1.075 76 I CA -0.343 60.943 61.300 -0.022 0.000 1.205 76 I CB 0.772 38.711 38.000 -0.102 0.000 1.406 76 I HN 0.108 nan 8.210 nan 0.000 0.481 77 E N 6.290 126.508 120.200 0.030 0.000 2.130 77 E HA 0.466 4.816 4.350 0.000 0.000 0.284 77 E C -0.744 175.879 176.600 0.039 0.000 1.018 77 E CA -0.540 55.879 56.400 0.033 0.000 0.817 77 E CB 1.435 31.144 29.700 0.015 0.000 1.078 77 E HN 0.391 nan 8.360 nan 0.000 0.396 78 M N 1.579 121.205 119.600 0.044 0.000 2.528 78 M HA 0.182 4.662 4.480 0.000 0.000 0.321 78 M C 0.900 177.216 176.300 0.027 0.000 1.153 78 M CA -0.274 55.050 55.300 0.040 0.000 0.951 78 M CB 1.923 34.553 32.600 0.050 0.000 1.705 78 M HN 0.514 nan 8.290 nan 0.000 0.451 79 S N 0.499 116.215 115.700 0.027 0.000 2.499 79 S HA -0.033 4.437 4.470 0.000 0.000 0.206 79 S C 0.488 175.105 174.600 0.029 0.000 1.165 79 S CA 0.485 58.700 58.200 0.024 0.000 1.503 79 S CB -0.383 62.832 63.200 0.024 0.000 1.004 79 S HN 0.777 nan 8.310 nan 0.000 0.385 80 E N 0.579 120.802 120.200 0.038 0.000 2.171 80 E HA 0.473 4.823 4.350 0.000 0.000 0.271 80 E C -1.779 174.864 176.600 0.071 0.000 0.916 80 E CA -0.675 55.758 56.400 0.055 0.000 0.774 80 E CB 1.725 31.455 29.700 0.050 0.000 1.128 80 E HN 0.285 nan 8.360 nan 0.000 0.403 81 V N 5.855 125.835 119.914 0.110 0.000 2.348 81 V HA 0.344 4.464 4.120 0.000 0.000 0.270 81 V C 0.325 176.508 176.094 0.148 0.000 1.037 81 V CA -0.358 62.014 62.300 0.120 0.000 0.872 81 V CB 0.945 32.835 31.823 0.113 0.000 1.002 81 V HN 0.595 nan 8.190 nan 0.000 0.464 82 R N 3.537 124.109 120.500 0.121 0.000 2.532 82 R HA 0.598 4.938 4.340 0.000 0.000 0.295 82 R C -1.063 175.294 176.300 0.096 0.000 0.968 82 R CA -0.944 55.215 56.100 0.099 0.000 0.916 82 R CB 1.661 31.991 30.300 0.050 0.000 1.124 82 R HN 0.570 nan 8.270 nan 0.000 0.463 83 L N 4.165 125.392 121.223 0.005 0.000 2.260 83 L HA 0.309 4.649 4.340 0.000 0.000 0.289 83 L C -0.803 175.988 176.870 -0.132 0.000 1.057 83 L CA -0.133 54.591 54.840 -0.193 0.000 0.811 83 L CB 0.894 42.643 42.059 -0.517 0.000 1.184 83 L HN 0.495 nan 8.230 nan 0.000 0.429 84 N N 4.607 123.242 118.700 -0.108 0.000 2.801 84 N HA 0.052 4.792 4.740 0.000 0.000 0.235 84 N C 0.679 176.137 175.510 -0.088 0.000 1.069 84 N CA -0.381 52.627 53.050 -0.072 0.000 0.946 84 N CB 0.479 38.942 38.487 -0.041 0.000 1.212 84 N HN 0.749 nan 8.380 nan 0.000 0.509 85 L N 2.817 123.988 121.223 -0.087 0.000 2.187 85 L HA -0.083 4.257 4.340 0.000 0.000 0.213 85 L C 0.841 177.689 176.870 -0.037 0.000 1.100 85 L CA 1.843 56.642 54.840 -0.069 0.000 0.765 85 L CB -0.214 41.838 42.059 -0.013 0.000 0.904 85 L HN 0.438 nan 8.230 nan 0.000 0.437 86 D N -0.902 119.481 120.400 -0.028 0.000 2.103 86 D HA -0.170 4.470 4.640 0.000 0.000 0.199 86 D C 2.103 178.388 176.300 -0.024 0.000 0.978 86 D CA 1.082 55.071 54.000 -0.018 0.000 0.829 86 D CB -0.110 40.681 40.800 -0.014 0.000 0.981 86 D HN 0.115 nan 8.370 nan 0.000 0.464 87 K N 0.435 120.817 120.400 -0.030 0.000 2.097 87 K HA -0.051 4.269 4.320 0.000 0.000 0.206 87 K C 1.929 178.507 176.600 -0.037 0.000 1.049 87 K CA 0.886 57.156 56.287 -0.029 0.000 0.933 87 K CB -0.280 32.204 32.500 -0.027 0.000 0.717 87 K HN 0.116 nan 8.250 nan 0.000 0.442 88 M N -0.660 118.907 119.600 -0.054 0.000 2.175 88 M HA -0.110 4.370 4.480 0.000 0.000 0.264 88 M C 1.536 177.802 176.300 -0.057 0.000 1.063 88 M CA 1.368 56.627 55.300 -0.068 0.000 1.119 88 M CB 0.034 32.562 32.600 -0.119 0.000 1.377 88 M HN 0.132 nan 8.290 nan 0.000 0.415 89 M N -0.431 119.143 119.600 -0.044 0.000 2.319 89 M HA -0.148 4.332 4.480 0.000 0.000 0.265 89 M C 1.960 178.247 176.300 -0.021 0.000 1.068 89 M CA 1.401 56.685 55.300 -0.026 0.000 1.118 89 M CB -1.261 31.338 32.600 -0.001 0.000 1.395 89 M HN 0.453 nan 8.290 nan 0.000 0.435 90 E N 0.185 120.372 120.200 -0.022 0.000 2.047 90 E HA -0.232 4.118 4.350 0.000 0.000 0.191 90 E C 2.042 178.630 176.600 -0.021 0.000 0.987 90 E CA 1.009 57.398 56.400 -0.019 0.000 0.799 90 E CB 0.002 29.691 29.700 -0.018 0.000 0.752 90 E HN 0.359 nan 8.360 nan 0.000 0.449 91 Q N 1.559 121.345 119.800 -0.023 0.000 2.096 91 Q HA -0.240 4.100 4.340 0.000 0.000 0.204 91 Q C 2.100 178.087 176.000 -0.022 0.000 0.982 91 Q CA 1.860 57.651 55.803 -0.021 0.000 0.850 91 Q CB -0.285 28.442 28.738 -0.018 0.000 0.901 91 Q HN 0.224 nan 8.270 nan 0.000 0.422 92 K N -0.363 120.021 120.400 -0.026 0.000 2.032 92 K HA -0.102 4.218 4.320 0.000 0.000 0.209 92 K C 2.099 178.683 176.600 -0.026 0.000 1.048 92 K CA 1.709 57.980 56.287 -0.028 0.000 0.927 92 K CB -0.029 32.452 32.500 -0.032 0.000 0.712 92 K HN 0.107 nan 8.250 nan 0.000 0.441 93 S N 0.210 115.896 115.700 -0.023 0.000 2.402 93 S HA -0.075 4.395 4.470 0.000 0.000 0.229 93 S C 1.814 176.399 174.600 -0.026 0.000 1.021 93 S CA 1.573 59.760 58.200 -0.022 0.000 0.974 93 S CB -0.207 62.982 63.200 -0.017 0.000 0.800 93 S HN 0.446 nan 8.310 nan 0.000 0.484 94 T N 2.266 116.806 114.554 -0.025 0.000 2.821 94 T HA 0.011 4.361 4.350 0.000 0.000 0.267 94 T C 2.118 176.800 174.700 -0.030 0.000 1.046 94 T CA 1.171 63.256 62.100 -0.026 0.000 1.139 94 T CB -0.353 68.501 68.868 -0.023 0.000 0.871 94 T HN 0.466 nan 8.240 nan 0.000 0.454 95 A N 0.871 123.673 122.820 -0.030 0.000 1.872 95 A HA 0.039 4.359 4.320 0.000 0.000 0.214 95 A C 2.543 180.102 177.584 -0.042 0.000 1.187 95 A CA 0.937 52.954 52.037 -0.034 0.000 0.614 95 A CB -0.871 18.111 19.000 -0.030 0.000 0.826 95 A HN 0.333 nan 8.150 nan 0.000 0.442 96 V N 0.318 120.206 119.914 -0.042 0.000 2.490 96 V HA -0.251 3.869 4.120 0.000 0.000 0.250 96 V C 2.511 178.571 176.094 -0.057 0.000 1.061 96 V CA 2.369 64.639 62.300 -0.051 0.000 1.064 96 V CB -0.612 31.186 31.823 -0.043 0.000 0.670 96 V HN 0.665 nan 8.190 nan 0.000 0.461 97 K N 0.174 120.546 120.400 -0.047 0.000 2.025 97 K HA -0.119 4.201 4.320 0.000 0.000 0.207 97 K C 2.259 178.826 176.600 -0.055 0.000 1.049 97 K CA 1.372 57.630 56.287 -0.048 0.000 0.933 97 K CB -0.339 32.139 32.500 -0.036 0.000 0.714 97 K HN 0.401 nan 8.250 nan 0.000 0.438 98 A N 1.377 124.166 122.820 -0.051 0.000 1.883 98 A HA -0.166 4.154 4.320 0.000 0.000 0.217 98 A C 2.127 179.669 177.584 -0.069 0.000 1.186 98 A CA 1.508 53.513 52.037 -0.054 0.000 0.624 98 A CB -0.769 18.204 19.000 -0.045 0.000 0.822 98 A HN 0.332 nan 8.150 nan 0.000 0.444 99 L N -0.069 121.108 121.223 -0.077 0.000 2.083 99 L HA -0.171 4.169 4.340 0.000 0.000 0.209 99 L C 3.026 179.803 176.870 -0.155 0.000 1.083 99 L CA 1.774 56.553 54.840 -0.103 0.000 0.752 99 L CB -0.855 41.148 42.059 -0.093 0.000 0.899 99 L HN 0.699 nan 8.230 nan 0.000 0.433 100 T N -3.367 111.101 114.554 -0.143 0.000 2.777 100 T HA -0.105 4.245 4.350 0.000 0.000 0.266 100 T C 1.948 176.546 174.700 -0.170 0.000 1.040 100 T CA 1.024 63.017 62.100 -0.179 0.000 1.141 100 T CB -0.965 67.826 68.868 -0.128 0.000 0.868 100 T HN 0.372 nan 8.240 nan 0.000 0.444 101 G N 1.047 109.781 108.800 -0.109 0.000 2.448 101 G HA2 0.120 4.080 3.960 0.000 0.000 0.219 101 G HA3 0.120 4.080 3.960 0.000 0.000 0.219 101 G C 1.671 176.531 174.900 -0.066 0.000 1.127 101 G CA 0.615 45.670 45.100 -0.075 0.000 0.766 101 G HN 0.667 nan 8.290 nan 0.000 0.552 102 G N 1.149 109.898 108.800 -0.086 0.000 2.418 102 G HA2 -0.159 3.801 3.960 0.000 0.000 0.217 102 G HA3 -0.159 3.801 3.960 0.000 0.000 0.217 102 G C 1.739 176.590 174.900 -0.082 0.000 1.158 102 G CA 0.785 45.857 45.100 -0.046 0.000 0.771 102 G HN 0.447 nan 8.290 nan 0.000 0.545 103 I N 1.350 121.762 120.570 -0.264 0.000 2.252 103 I HA -0.138 4.032 4.170 0.000 0.000 0.245 103 I C 3.301 179.139 176.117 -0.464 0.000 1.102 103 I CA 0.842 61.855 61.300 -0.479 0.000 1.385 103 I CB -0.273 37.226 38.000 -0.834 0.000 1.064 103 I HN 0.237 nan 8.210 nan 0.000 0.414 104 A N 0.647 123.279 122.820 -0.313 0.000 1.908 104 A HA -0.331 3.989 4.320 0.000 0.000 0.218 104 A C 2.221 179.804 177.584 -0.003 0.000 1.181 104 A CA 2.422 54.360 52.037 -0.165 0.000 0.627 104 A CB -1.097 17.874 19.000 -0.049 0.000 0.818 104 A HN 0.608 nan 8.150 nan 0.000 0.445 105 H N -0.368 118.674 119.070 -0.046 0.000 2.389 105 H HA 0.042 4.598 4.556 0.000 0.000 0.299 105 H C 1.658 177.021 175.328 0.057 0.000 1.081 105 H CA 1.773 57.828 56.048 0.013 0.000 1.345 105 H CB -0.288 29.471 29.762 -0.006 0.000 1.393 105 H HN 0.366 nan 8.280 nan 0.000 0.520 106 L N -0.873 120.253 121.223 -0.162 0.000 2.093 106 L HA -0.129 4.211 4.340 0.000 0.000 0.208 106 L C 2.026 178.957 176.870 0.101 0.000 1.085 106 L CA 0.635 55.419 54.840 -0.094 0.000 0.755 106 L CB -0.436 41.670 42.059 0.079 0.000 0.904 106 L HN 0.261 nan 8.230 nan 0.000 0.435 107 F N 0.866 120.773 119.950 -0.071 0.000 2.134 107 F HA -0.208 4.319 4.527 0.000 0.000 0.299 107 F C 2.515 178.286 175.800 -0.049 0.000 1.097 107 F CA 1.222 59.202 58.000 -0.034 0.000 1.264 107 F CB -0.651 38.339 39.000 -0.017 0.000 1.001 107 F HN 0.006 nan 8.300 nan 0.000 0.479 108 K N -0.231 120.246 120.400 0.129 0.000 2.057 108 K HA -0.220 4.100 4.320 0.000 0.000 0.206 108 K C 2.059 178.640 176.600 -0.031 0.000 1.050 108 K CA 1.332 57.644 56.287 0.041 0.000 0.935 108 K CB -0.396 32.130 32.500 0.043 0.000 0.715 108 K HN 0.323 nan 8.250 nan 0.000 0.439 109 Q N 0.983 120.698 119.800 -0.141 0.000 2.124 109 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 109 Q C 1.001 176.972 176.000 -0.049 0.000 0.977 109 Q CA 1.278 56.999 55.803 -0.136 0.000 0.850 109 Q CB 0.164 28.737 28.738 -0.275 0.000 0.901 109 Q HN 0.235 nan 8.270 nan 0.000 0.429 110 N N 0.153 118.839 118.700 -0.023 0.000 2.268 110 N HA 0.058 4.798 4.740 0.000 0.000 0.204 110 N C -0.593 174.904 175.510 -0.021 0.000 1.124 110 N CA 0.191 53.235 53.050 -0.009 0.000 0.838 110 N CB 0.617 39.111 38.487 0.011 0.000 0.994 110 N HN 0.205 nan 8.380 nan 0.000 0.489 111 K N -0.439 119.950 120.400 -0.018 0.000 3.281 111 K HA -0.122 4.198 4.320 0.000 0.000 0.295 111 K C -0.619 175.946 176.600 -0.058 0.000 1.233 111 K CA 0.228 56.501 56.287 -0.023 0.000 0.866 111 K CB -1.574 30.915 32.500 -0.019 0.000 1.265 111 K HN -0.039 nan 8.250 nan 0.000 0.482 112 V N 1.796 121.646 119.914 -0.106 0.000 2.455 112 V HA 0.098 4.218 4.120 0.000 0.000 0.273 112 V C 0.757 176.743 176.094 -0.179 0.000 1.045 112 V CA -0.455 61.687 62.300 -0.262 0.000 0.976 112 V CB 1.513 32.926 31.823 -0.682 0.000 0.993 112 V HN 0.015 nan 8.190 nan 0.000 0.475 113 V N 5.839 125.676 119.914 -0.129 0.000 2.408 113 V HA 0.149 4.269 4.120 0.000 0.000 0.267 113 V C 0.382 176.494 176.094 0.029 0.000 1.047 113 V CA -0.310 61.975 62.300 -0.024 0.000 0.937 113 V CB 0.463 32.277 31.823 -0.015 0.000 0.999 113 V HN 0.897 nan 8.190 nan 0.000 0.472 114 H N 4.904 123.985 119.070 0.019 0.000 2.652 114 H HA 0.532 5.088 4.556 0.000 0.000 0.298 114 H C -1.099 174.271 175.328 0.070 0.000 1.076 114 H CA -0.721 55.389 56.048 0.103 0.000 1.360 114 H CB 1.342 31.255 29.762 0.252 0.000 1.421 114 H HN 0.455 nan 8.280 nan 0.000 0.464 115 V N 6.816 126.871 119.914 0.235 0.000 2.384 115 V HA 0.045 4.165 4.120 0.000 0.000 0.287 115 V C 0.247 176.388 176.094 0.079 0.000 1.020 115 V CA -0.898 61.438 62.300 0.061 0.000 0.850 115 V CB 1.253 33.114 31.823 0.062 0.000 0.987 115 V HN 0.802 nan 8.190 nan 0.000 0.436 116 N N 4.030 122.688 118.700 -0.070 0.000 2.419 116 N HA 0.623 5.363 4.740 0.000 0.000 0.264 116 N C -0.139 175.400 175.510 0.048 0.000 1.031 116 N CA 0.614 53.664 53.050 0.001 0.000 0.951 116 N CB 1.718 40.154 38.487 -0.084 0.000 1.101 116 N HN 0.938 nan 8.380 nan 0.000 0.488 117 G N 2.166 111.023 108.800 0.095 0.000 2.320 117 G HA2 0.075 4.035 3.960 0.000 0.000 0.297 117 G HA3 0.075 4.035 3.960 0.000 0.000 0.297 117 G C -2.415 172.583 174.900 0.163 0.000 1.344 117 G CA -0.839 44.332 45.100 0.119 0.000 0.851 117 G HN 0.458 nan 8.290 nan 0.000 0.567 118 Y N 1.301 121.638 120.300 0.061 0.000 2.367 118 Y HA 0.553 5.103 4.550 0.000 0.000 0.342 118 Y C 0.864 176.802 175.900 0.063 0.000 0.979 118 Y CA 0.433 58.578 58.100 0.074 0.000 1.161 118 Y CB 1.191 39.696 38.460 0.074 0.000 1.155 118 Y HN 0.758 nan 8.280 nan 0.000 0.503 119 G N 5.347 114.169 108.800 0.037 0.000 2.395 119 G HA2 0.416 4.376 3.960 0.000 0.000 0.283 119 G HA3 0.416 4.376 3.960 0.000 0.000 0.283 119 G C -1.448 173.505 174.900 0.087 0.000 1.178 119 G CA -0.736 44.399 45.100 0.058 0.000 0.837 119 G HN 0.637 nan 8.290 nan 0.000 0.518 120 K N 1.830 122.289 120.400 0.100 0.000 2.468 120 K HA 0.433 4.753 4.320 0.000 0.000 0.252 120 K C -0.635 175.996 176.600 0.053 0.000 0.932 120 K CA -0.866 55.478 56.287 0.095 0.000 0.794 120 K CB 1.634 34.209 32.500 0.126 0.000 1.241 120 K HN 0.376 nan 8.250 nan 0.000 0.428 121 I N 4.519 125.110 120.570 0.036 0.000 2.406 121 I HA 0.039 4.209 4.170 0.000 0.000 0.293 121 I C 0.949 177.080 176.117 0.023 0.000 1.101 121 I CA -0.098 61.217 61.300 0.024 0.000 1.334 121 I CB 0.923 38.932 38.000 0.015 0.000 1.421 121 I HN 0.759 nan 8.210 nan 0.000 0.513 122 T N 1.231 115.798 114.554 0.022 0.000 3.145 122 T HA 0.495 4.845 4.350 0.000 0.000 0.255 122 T C 0.467 175.175 174.700 0.013 0.000 1.039 122 T CA -0.300 61.811 62.100 0.019 0.000 0.928 122 T CB 0.210 69.091 68.868 0.022 0.000 1.029 122 T HN 0.775 nan 8.240 nan 0.000 0.554 123 G N 0.363 109.170 108.800 0.011 0.000 2.387 123 G HA2 0.394 4.354 3.960 0.000 0.000 0.294 123 G HA3 0.394 4.354 3.960 0.000 0.000 0.294 123 G C -0.148 174.755 174.900 0.006 0.000 1.509 123 G CA -0.735 44.369 45.100 0.007 0.000 0.806 123 G HN -0.057 nan 8.290 nan 0.000 0.546 124 K N -0.316 120.085 120.400 0.003 0.000 2.103 124 K HA -0.039 4.281 4.320 0.000 0.000 0.207 124 K C 1.226 177.829 176.600 0.005 0.000 1.048 124 K CA 1.946 58.233 56.287 0.001 0.000 0.930 124 K CB -0.111 32.388 32.500 -0.002 0.000 0.716 124 K HN 0.432 nan 8.250 nan 0.000 0.444 125 N N -0.219 118.485 118.700 0.006 0.000 2.480 125 N HA 0.112 4.852 4.740 0.000 0.000 0.281 125 N C -1.414 174.101 175.510 0.008 0.000 1.381 125 N CA -0.270 52.785 53.050 0.008 0.000 0.903 125 N CB 1.106 39.598 38.487 0.009 0.000 1.274 125 N HN 0.086 nan 8.380 nan 0.000 0.505 126 Q N 0.418 120.223 119.800 0.009 0.000 2.309 126 Q HA 0.518 4.858 4.340 0.000 0.000 0.273 126 Q C -2.005 174.004 176.000 0.014 0.000 1.040 126 Q CA -0.654 55.156 55.803 0.011 0.000 0.834 126 Q CB 1.807 30.551 28.738 0.011 0.000 1.345 126 Q HN -0.036 nan 8.270 nan 0.000 0.414 127 V N 2.522 122.446 119.914 0.016 0.000 2.588 127 V HA 0.583 4.703 4.120 0.000 0.000 0.304 127 V C -0.657 175.454 176.094 0.028 0.000 1.042 127 V CA -0.546 61.767 62.300 0.022 0.000 0.877 127 V CB 2.125 33.959 31.823 0.017 0.000 0.996 127 V HN 0.877 nan 8.190 nan 0.000 0.425 128 T N 3.917 118.494 114.554 0.039 0.000 2.786 128 T HA 0.693 5.043 4.350 0.000 0.000 0.283 128 T C -0.080 174.658 174.700 0.065 0.000 0.992 128 T CA -0.285 61.841 62.100 0.044 0.000 0.954 128 T CB 1.506 70.399 68.868 0.041 0.000 0.934 128 T HN 0.921 nan 8.240 nan 0.000 0.440 129 A N 3.076 125.933 122.820 0.062 0.000 2.271 129 A HA 0.669 4.989 4.320 0.000 0.000 0.317 129 A C 0.269 177.901 177.584 0.081 0.000 1.245 129 A CA -0.647 51.439 52.037 0.082 0.000 0.857 129 A CB 0.436 19.477 19.000 0.068 0.000 1.175 129 A HN 0.679 nan 8.150 nan 0.000 0.512 130 T N 4.063 118.683 114.554 0.110 0.000 2.756 130 T HA 0.296 4.646 4.350 0.000 0.000 0.290 130 T C 0.169 174.922 174.700 0.088 0.000 0.985 130 T CA -0.434 61.715 62.100 0.083 0.000 0.955 130 T CB 0.603 69.512 68.868 0.069 0.000 0.930 130 T HN 0.654 nan 8.240 nan 0.000 0.451 131 K N 1.486 121.920 120.400 0.057 0.000 2.180 131 K HA 0.428 4.748 4.320 0.000 0.000 0.251 131 K C 1.509 178.134 176.600 0.042 0.000 1.014 131 K CA -0.517 55.800 56.287 0.050 0.000 0.913 131 K CB 0.516 33.034 32.500 0.029 0.000 1.008 131 K HN 0.571 nan 8.250 nan 0.000 0.490 132 A N 1.596 124.440 122.820 0.039 0.000 2.019 132 A HA -0.150 4.170 4.320 0.000 0.000 0.219 132 A C 1.219 178.812 177.584 0.015 0.000 1.164 132 A CA 1.823 53.876 52.037 0.027 0.000 0.644 132 A CB -0.485 18.531 19.000 0.028 0.000 0.805 132 A HN 0.875 nan 8.150 nan 0.000 0.449 133 D N -1.774 118.635 120.400 0.014 0.000 2.413 133 D HA 0.263 4.903 4.640 0.000 0.000 0.237 133 D C 1.114 177.418 176.300 0.008 0.000 1.171 133 D CA 0.703 54.709 54.000 0.009 0.000 0.839 133 D CB -0.402 40.403 40.800 0.007 0.000 0.950 133 D HN 0.575 nan 8.370 nan 0.000 0.499 134 G N 0.486 109.291 108.800 0.009 0.000 2.284 134 G HA2 -0.299 3.661 3.960 0.000 0.000 0.261 134 G HA3 -0.299 3.661 3.960 0.000 0.000 0.261 134 G C 0.826 175.734 174.900 0.013 0.000 0.997 134 G CA 0.118 45.223 45.100 0.008 0.000 0.621 134 G HN 0.783 nan 8.290 nan 0.000 0.534 135 G N -0.291 108.517 108.800 0.014 0.000 2.460 135 G HA2 0.439 4.399 3.960 0.000 0.000 0.230 135 G HA3 0.439 4.399 3.960 0.000 0.000 0.230 135 G C 0.167 175.080 174.900 0.021 0.000 1.248 135 G CA 1.535 46.644 45.100 0.015 0.000 0.863 135 G HN 1.316 nan 8.290 nan 0.000 0.549 136 T N 0.012 114.577 114.554 0.018 0.000 2.916 136 T HA 0.551 4.901 4.350 0.000 0.000 0.298 136 T C -0.928 173.784 174.700 0.019 0.000 1.031 136 T CA -0.643 61.470 62.100 0.022 0.000 0.993 136 T CB 1.860 70.739 68.868 0.019 0.000 1.045 136 T HN 0.710 nan 8.240 nan 0.000 0.454 137 Q N 3.590 123.405 119.800 0.024 0.000 2.263 137 Q HA 0.615 4.955 4.340 0.000 0.000 0.266 137 Q C -1.850 174.164 176.000 0.023 0.000 1.002 137 Q CA -0.570 55.245 55.803 0.020 0.000 0.790 137 Q CB 1.790 30.538 28.738 0.018 0.000 1.272 137 Q HN 0.579 nan 8.270 nan 0.000 0.435 138 V N 5.430 125.355 119.914 0.018 0.000 2.532 138 V HA 0.598 4.718 4.120 0.000 0.000 0.295 138 V C -0.100 176.002 176.094 0.015 0.000 1.041 138 V CA -0.556 61.754 62.300 0.018 0.000 0.926 138 V CB 1.538 33.370 31.823 0.015 0.000 0.992 138 V HN 0.772 nan 8.190 nan 0.000 0.457 139 I N 3.212 123.791 120.570 0.014 0.000 2.439 139 I HA 0.381 4.551 4.170 0.000 0.000 0.283 139 I C -0.942 175.180 176.117 0.008 0.000 1.023 139 I CA -0.501 60.804 61.300 0.010 0.000 1.100 139 I CB 1.678 39.683 38.000 0.008 0.000 1.238 139 I HN 0.484 nan 8.210 nan 0.000 0.445 140 D N 4.484 124.888 120.400 0.007 0.000 2.249 140 D HA 0.347 4.987 4.640 0.000 0.000 0.246 140 D C -0.127 176.175 176.300 0.004 0.000 1.114 140 D CA 0.233 54.237 54.000 0.007 0.000 0.854 140 D CB 2.300 43.105 40.800 0.008 0.000 1.132 140 D HN 0.391 nan 8.370 nan 0.000 0.461 141 T N 0.754 115.309 114.554 0.002 0.000 2.916 141 T HA 0.183 4.533 4.350 0.000 0.000 0.305 141 T C 0.850 175.549 174.700 -0.002 0.000 1.119 141 T CA -0.663 61.435 62.100 -0.005 0.000 1.008 141 T CB 1.438 70.297 68.868 -0.016 0.000 1.129 141 T HN 0.149 nan 8.240 nan 0.000 0.480 142 K N 1.871 122.268 120.400 -0.005 0.000 2.057 142 K HA 0.094 4.414 4.320 0.000 0.000 0.206 142 K C 0.613 177.214 176.600 0.003 0.000 1.050 142 K CA 0.877 57.166 56.287 0.004 0.000 0.935 142 K CB 0.059 32.567 32.500 0.012 0.000 0.715 142 K HN 0.476 nan 8.250 nan 0.000 0.439 143 N N 0.103 118.784 118.700 -0.031 0.000 2.312 143 N HA 0.420 5.160 4.740 0.000 0.000 0.296 143 N C -0.919 174.584 175.510 -0.012 0.000 1.193 143 N CA -0.505 52.544 53.050 -0.002 0.000 0.773 143 N CB 2.317 40.757 38.487 -0.078 0.000 1.435 143 N HN -0.095 nan 8.380 nan 0.000 0.484 144 I N 1.414 122.018 120.570 0.055 0.000 2.499 144 I HA 0.247 4.417 4.170 0.000 0.000 0.288 144 I C -1.205 174.959 176.117 0.078 0.000 1.048 144 I CA -0.797 60.524 61.300 0.036 0.000 1.062 144 I CB 2.352 40.375 38.000 0.038 0.000 1.238 144 I HN 0.161 nan 8.210 nan 0.000 0.426 145 L N 8.269 129.497 121.223 0.008 0.000 2.318 145 L HA 0.559 4.899 4.340 0.000 0.000 0.277 145 L C -0.632 176.246 176.870 0.013 0.000 1.008 145 L CA -0.250 54.595 54.840 0.008 0.000 0.846 145 L CB 0.919 42.921 42.059 -0.094 0.000 1.220 145 L HN 0.381 nan 8.230 nan 0.000 0.423 146 I N 5.372 125.969 120.570 0.044 0.000 2.379 146 I HA 0.390 4.560 4.170 0.000 0.000 0.290 146 I C 0.711 176.842 176.117 0.023 0.000 1.063 146 I CA 0.235 61.553 61.300 0.030 0.000 1.351 146 I CB 1.130 39.152 38.000 0.036 0.000 1.410 146 I HN 0.826 nan 8.210 nan 0.000 0.505 147 A N 3.764 126.593 122.820 0.016 0.000 2.992 147 A HA 0.209 4.530 4.320 0.000 0.000 0.263 147 A C 1.119 178.724 177.584 0.036 0.000 0.928 147 A CA -0.268 51.778 52.037 0.016 0.000 1.061 147 A CB -0.383 18.616 19.000 -0.001 0.000 1.173 147 A HN 0.753 nan 8.150 nan 0.000 0.482 148 T N -3.199 111.385 114.554 0.051 0.000 3.007 148 T HA 0.359 4.709 4.350 0.000 0.000 0.270 148 T C 1.541 176.325 174.700 0.140 0.000 1.107 148 T CA 1.340 63.497 62.100 0.096 0.000 1.118 148 T CB -0.317 68.616 68.868 0.109 0.000 0.889 148 T HN 2.042 nan 8.240 nan 0.000 0.506 149 G N 1.479 110.340 108.800 0.102 0.000 2.527 149 G HA2 -0.115 3.846 3.960 0.000 0.000 0.268 149 G HA3 -0.115 3.846 3.960 0.000 0.000 0.268 149 G C 0.045 175.026 174.900 0.135 0.000 1.175 149 G CA 0.525 45.681 45.100 0.093 0.000 0.962 149 G HN 1.628 nan 8.290 nan 0.000 0.560 150 S N -0.496 115.265 115.700 0.101 0.000 2.720 150 S HA 0.838 5.308 4.470 0.000 0.000 0.287 150 S C -0.757 173.862 174.600 0.032 0.000 1.168 150 S CA 0.401 58.667 58.200 0.109 0.000 0.832 150 S CB 2.440 65.683 63.200 0.071 0.000 1.166 150 S HN 1.857 nan 8.310 nan 0.000 0.493 151 E N -0.807 119.425 120.200 0.053 0.000 2.412 151 E HA 0.577 4.927 4.350 0.000 0.000 0.279 151 E C -0.678 175.947 176.600 0.043 0.000 0.984 151 E CA -1.440 54.959 56.400 -0.002 0.000 0.788 151 E CB 1.558 31.254 29.700 -0.006 0.000 1.277 151 E HN 0.881 nan 8.360 nan 0.000 0.455 152 V N -0.243 119.691 119.914 0.032 0.000 2.763 152 V HA 0.232 4.352 4.120 0.000 0.000 0.306 152 V C 0.028 176.162 176.094 0.066 0.000 1.059 152 V CA -0.032 62.299 62.300 0.051 0.000 1.138 152 V CB 0.827 32.679 31.823 0.048 0.000 0.940 152 V HN 0.709 nan 8.190 nan 0.000 0.489 153 T N 8.046 122.642 114.554 0.071 0.000 2.794 153 T HA 0.376 4.726 4.350 0.000 0.000 0.296 153 T C -2.048 172.701 174.700 0.082 0.000 0.949 153 T CA -0.261 61.880 62.100 0.069 0.000 1.101 153 T CB 0.821 69.722 68.868 0.056 0.000 0.905 153 T HN 0.898 nan 8.240 nan 0.000 0.516 154 P HA 0.297 nan 4.420 nan 0.000 0.282 154 P C -0.954 176.426 177.300 0.134 0.000 1.249 154 P CA -0.662 62.502 63.100 0.107 0.000 0.806 154 P CB 0.651 32.404 31.700 0.087 0.000 0.984 155 F N 5.519 125.475 119.950 0.010 0.000 2.371 155 F HA 0.334 4.862 4.527 0.000 0.000 0.363 155 F C -1.966 173.834 175.800 -0.000 0.000 1.122 155 F CA -3.215 54.786 58.000 0.001 0.000 1.129 155 F CB 0.583 39.585 39.000 0.002 0.000 1.173 155 F HN 0.142 nan 8.300 nan 0.000 0.489 156 P HA 0.234 nan 4.420 nan 0.000 0.266 156 P C 0.475 177.943 177.300 0.279 0.000 1.215 156 P CA 1.010 64.195 63.100 0.142 0.000 0.763 156 P CB 1.002 32.703 31.700 0.001 0.000 0.806 157 G N 3.804 112.729 108.800 0.207 0.000 2.491 157 G HA2 -0.177 3.783 3.960 0.000 0.000 0.203 157 G HA3 -0.177 3.783 3.960 0.000 0.000 0.203 157 G C -0.064 174.894 174.900 0.097 0.000 1.052 157 G CA -0.337 44.863 45.100 0.168 0.000 0.675 157 G HN 0.503 nan 8.290 nan 0.000 0.504 158 I N 3.065 123.691 120.570 0.092 0.000 2.353 158 I HA 0.512 4.682 4.170 0.000 0.000 0.293 158 I C 0.449 176.565 176.117 -0.001 0.000 0.992 158 I CA -0.205 61.052 61.300 -0.073 0.000 1.268 158 I CB 1.827 39.620 38.000 -0.344 0.000 1.387 158 I HN 0.308 nan 8.210 nan 0.000 0.478 159 T N 4.326 118.871 114.554 -0.016 0.000 2.797 159 T HA 0.634 4.984 4.350 0.000 0.000 0.279 159 T C -0.272 174.417 174.700 -0.018 0.000 0.991 159 T CA -0.699 61.402 62.100 0.002 0.000 0.979 159 T CB 1.468 70.341 68.868 0.007 0.000 0.943 159 T HN 0.276 nan 8.240 nan 0.000 0.444 160 I N 3.317 123.883 120.570 -0.005 0.000 2.395 160 I HA 0.234 4.404 4.170 0.000 0.000 0.289 160 I C 0.414 176.522 176.117 -0.015 0.000 1.023 160 I CA -0.467 60.825 61.300 -0.014 0.000 1.350 160 I CB 1.043 39.043 38.000 0.001 0.000 1.409 160 I HN 0.883 nan 8.210 nan 0.000 0.507 161 D N 3.588 123.973 120.400 -0.026 0.000 2.469 161 D HA -0.013 4.627 4.640 0.000 0.000 0.213 161 D C 0.304 176.588 176.300 -0.026 0.000 1.135 161 D CA -0.200 53.785 54.000 -0.024 0.000 0.834 161 D CB 0.238 41.020 40.800 -0.029 0.000 1.009 161 D HN 0.361 nan 8.370 nan 0.000 0.507 162 E N -0.155 120.028 120.200 -0.028 0.000 2.660 162 E HA -0.273 4.077 4.350 0.000 0.000 0.260 162 E C 0.032 176.607 176.600 -0.041 0.000 1.122 162 E CA 1.459 57.842 56.400 -0.029 0.000 0.755 162 E CB -1.461 28.229 29.700 -0.017 0.000 1.345 162 E HN 0.675 nan 8.360 nan 0.000 0.421 163 D N -1.422 118.946 120.400 -0.053 0.000 3.165 163 D HA 0.044 4.684 4.640 0.000 0.000 0.264 163 D C 1.558 177.805 176.300 -0.088 0.000 1.363 163 D CA 1.736 55.697 54.000 -0.064 0.000 1.166 163 D CB 0.013 40.782 40.800 -0.052 0.000 1.291 163 D HN 0.099 nan 8.370 nan 0.000 0.390 164 T N -1.669 112.835 114.554 -0.083 0.000 2.964 164 T HA 0.375 4.725 4.350 0.000 0.000 0.249 164 T C 0.868 175.510 174.700 -0.098 0.000 1.000 164 T CA -0.174 61.867 62.100 -0.098 0.000 0.992 164 T CB 0.636 69.453 68.868 -0.085 0.000 1.087 164 T HN 0.103 nan 8.240 nan 0.000 0.489 165 I N 3.789 124.311 120.570 -0.081 0.000 2.428 165 I HA 0.489 4.659 4.170 0.000 0.000 0.279 165 I C -0.321 175.759 176.117 -0.062 0.000 1.040 165 I CA -1.215 60.038 61.300 -0.079 0.000 1.171 165 I CB 1.611 39.566 38.000 -0.076 0.000 1.312 165 I HN 0.104 nan 8.210 nan 0.000 0.470 166 V N 2.469 122.345 119.914 -0.063 0.000 3.096 166 V HA 0.806 4.926 4.120 0.000 0.000 0.319 166 V C 0.217 176.303 176.094 -0.013 0.000 1.103 166 V CA -0.421 61.855 62.300 -0.040 0.000 1.016 166 V CB 1.717 33.508 31.823 -0.054 0.000 1.090 166 V HN 0.674 nan 8.190 nan 0.000 0.449 167 S N 0.343 116.047 115.700 0.006 0.000 2.786 167 S HA 0.419 4.889 4.470 0.000 0.000 0.307 167 S C 1.278 175.902 174.600 0.040 0.000 1.121 167 S CA 0.111 58.328 58.200 0.029 0.000 0.975 167 S CB 1.143 64.361 63.200 0.029 0.000 1.220 167 S HN 1.724 nan 8.310 nan 0.000 0.550 168 S N 0.283 116.017 115.700 0.056 0.000 2.400 168 S HA -0.122 4.348 4.470 0.000 0.000 0.232 168 S C 1.705 176.343 174.600 0.063 0.000 1.025 168 S CA 1.746 59.989 58.200 0.072 0.000 0.993 168 S CB -1.599 61.647 63.200 0.075 0.000 0.808 168 S HN 0.777 nan 8.310 nan 0.000 0.478 169 T N 2.172 116.751 114.554 0.041 0.000 2.674 169 T HA 0.008 4.358 4.350 0.000 0.000 0.265 169 T C 2.093 176.814 174.700 0.036 0.000 1.039 169 T CA 1.545 63.663 62.100 0.031 0.000 1.150 169 T CB -1.139 67.737 68.868 0.013 0.000 0.864 169 T HN 0.636 nan 8.240 nan 0.000 0.427 170 G N 0.934 109.747 108.800 0.022 0.000 2.408 170 G HA2 -0.013 3.947 3.960 0.000 0.000 0.217 170 G HA3 -0.013 3.947 3.960 0.000 0.000 0.217 170 G C 1.833 176.747 174.900 0.024 0.000 1.150 170 G CA 0.875 45.980 45.100 0.009 0.000 0.776 170 G HN 0.577 nan 8.290 nan 0.000 0.542 171 A N 0.662 123.511 122.820 0.048 0.000 1.940 171 A HA 0.067 4.387 4.320 0.000 0.000 0.219 171 A C 2.327 180.091 177.584 0.300 0.000 1.176 171 A CA 1.143 53.245 52.037 0.109 0.000 0.631 171 A CB -0.372 18.715 19.000 0.146 0.000 0.814 171 A HN 0.365 nan 8.150 nan 0.000 0.446 172 L N -0.648 120.700 121.223 0.208 0.000 2.465 172 L HA -0.029 4.311 4.340 0.000 0.000 0.224 172 L C 1.327 178.313 176.870 0.192 0.000 1.145 172 L CA 0.903 55.860 54.840 0.195 0.000 0.834 172 L CB 0.039 42.155 42.059 0.096 0.000 0.944 172 L HN 0.265 nan 8.230 nan 0.000 0.451 173 S N -0.638 115.163 115.700 0.168 0.000 2.749 173 S HA 0.241 4.711 4.470 0.000 0.000 0.246 173 S C 0.178 174.843 174.600 0.109 0.000 1.023 173 S CA -0.567 57.708 58.200 0.125 0.000 1.012 173 S CB 0.309 63.543 63.200 0.057 0.000 0.942 173 S HN -0.028 nan 8.310 nan 0.000 0.531 174 L N 2.782 124.076 121.223 0.117 0.000 2.615 174 L HA 0.027 4.367 4.340 0.000 0.000 0.284 174 L C 1.568 178.451 176.870 0.022 0.000 1.237 174 L CA 0.617 55.412 54.840 -0.075 0.000 0.905 174 L CB 0.272 42.006 42.059 -0.542 0.000 1.149 174 L HN 0.026 nan 8.230 nan 0.000 0.499 175 K N 2.136 122.515 120.400 -0.036 0.000 2.211 175 K HA 0.025 4.345 4.320 0.000 0.000 0.203 175 K C 0.341 176.942 176.600 0.001 0.000 1.050 175 K CA 1.006 57.288 56.287 -0.008 0.000 0.945 175 K CB 0.122 32.604 32.500 -0.029 0.000 0.732 175 K HN 0.417 nan 8.250 nan 0.000 0.451 176 K N -0.256 120.122 120.400 -0.037 0.000 2.555 176 K HA 0.253 4.573 4.320 0.000 0.000 0.279 176 K C -1.016 175.547 176.600 -0.063 0.000 0.986 176 K CA -0.755 55.523 56.287 -0.015 0.000 0.880 176 K CB 2.394 34.873 32.500 -0.035 0.000 1.474 176 K HN -0.330 nan 8.250 nan 0.000 0.433 177 V N 4.155 124.089 119.914 0.032 0.000 2.529 177 V HA 0.090 4.210 4.120 0.000 0.000 0.292 177 V C -1.671 174.359 176.094 -0.107 0.000 1.028 177 V CA -0.771 61.553 62.300 0.040 0.000 1.074 177 V CB 0.116 32.017 31.823 0.131 0.000 0.958 177 V HN 0.575 nan 8.190 nan 0.000 0.481 178 P HA 0.218 nan 4.420 nan 0.000 0.279 178 P C 0.631 177.860 177.300 -0.117 0.000 1.239 178 P CA -0.350 62.627 63.100 -0.204 0.000 0.789 178 P CB 1.553 33.067 31.700 -0.310 0.000 0.933 179 E N 1.789 121.934 120.200 -0.092 0.000 2.023 179 E HA -0.147 4.203 4.350 0.000 0.000 0.196 179 E C 0.416 176.977 176.600 -0.066 0.000 1.003 179 E CA 1.423 57.786 56.400 -0.062 0.000 0.809 179 E CB 0.222 29.890 29.700 -0.054 0.000 0.755 179 E HN 0.409 nan 8.360 nan 0.000 0.449 180 K N 0.096 120.448 120.400 -0.081 0.000 2.378 180 K HA 0.366 4.686 4.320 0.000 0.000 0.252 180 K C -1.115 175.421 176.600 -0.108 0.000 0.931 180 K CA -0.345 55.893 56.287 -0.082 0.000 0.794 180 K CB 1.572 34.034 32.500 -0.064 0.000 1.181 180 K HN -0.055 nan 8.250 nan 0.000 0.425 181 M N 4.485 124.015 119.600 -0.117 0.000 2.446 181 M HA 0.402 4.882 4.480 0.000 0.000 0.294 181 M C -1.925 174.311 176.300 -0.106 0.000 1.158 181 M CA -0.939 54.281 55.300 -0.134 0.000 0.899 181 M CB 2.119 34.615 32.600 -0.174 0.000 1.687 181 M HN 0.462 nan 8.290 nan 0.000 0.455 182 V N 5.053 124.917 119.914 -0.084 0.000 2.588 182 V HA 0.650 4.770 4.120 0.000 0.000 0.304 182 V C -1.340 174.744 176.094 -0.017 0.000 1.042 182 V CA -0.451 61.822 62.300 -0.045 0.000 0.877 182 V CB 2.264 34.067 31.823 -0.033 0.000 0.996 182 V HN 0.689 nan 8.190 nan 0.000 0.425 183 V N 7.830 127.766 119.914 0.036 0.000 2.398 183 V HA 0.493 4.613 4.120 0.000 0.000 0.286 183 V C 0.108 176.272 176.094 0.117 0.000 1.026 183 V CA -0.516 61.836 62.300 0.085 0.000 0.868 183 V CB 1.651 33.569 31.823 0.158 0.000 0.982 183 V HN 0.708 nan 8.190 nan 0.000 0.443 184 I N 4.780 125.412 120.570 0.104 0.000 2.337 184 I HA 0.602 4.772 4.170 0.000 0.000 0.291 184 I C 0.898 177.115 176.117 0.167 0.000 1.046 184 I CA 0.318 61.700 61.300 0.137 0.000 1.324 184 I CB 0.639 38.721 38.000 0.137 0.000 1.409 184 I HN 0.906 nan 8.210 nan 0.000 0.494 185 G N 4.609 113.518 108.800 0.181 0.000 2.895 185 G HA2 0.077 4.037 3.960 0.000 0.000 0.686 185 G HA3 0.077 4.037 3.960 0.000 0.000 0.686 185 G C -0.350 174.666 174.900 0.194 0.000 1.108 185 G CA -0.343 44.861 45.100 0.173 0.000 0.761 185 G HN 0.992 nan 8.290 nan 0.000 0.611 186 A N 1.762 124.680 122.820 0.164 0.000 3.106 186 A HA 0.795 5.115 4.320 0.000 0.000 0.306 186 A C 1.225 178.891 177.584 0.136 0.000 1.192 186 A CA 1.024 53.168 52.037 0.179 0.000 0.994 186 A CB -0.162 18.909 19.000 0.117 0.000 1.107 186 A HN 2.181 nan 8.150 nan 0.000 0.585 187 G N -1.135 107.762 108.800 0.161 0.000 2.588 187 G HA2 0.385 4.345 3.960 0.000 0.000 0.281 187 G HA3 0.385 4.345 3.960 0.000 0.000 0.281 187 G C 1.056 176.083 174.900 0.211 0.000 1.236 187 G CA 0.044 45.244 45.100 0.167 0.000 0.969 187 G HN 0.203 nan 8.290 nan 0.000 0.504 188 V N 0.449 120.494 119.914 0.219 0.000 2.332 188 V HA -0.220 3.900 4.120 0.000 0.000 0.248 188 V C 2.807 179.040 176.094 0.232 0.000 1.055 188 V CA 1.806 64.249 62.300 0.238 0.000 1.038 188 V CB -0.756 31.189 31.823 0.203 0.000 0.651 188 V HN 0.604 nan 8.190 nan 0.000 0.450 189 I N 0.642 121.329 120.570 0.195 0.000 2.179 189 I HA -0.169 4.001 4.170 0.000 0.000 0.242 189 I C 2.659 178.905 176.117 0.214 0.000 1.088 189 I CA 1.788 63.197 61.300 0.183 0.000 1.357 189 I CB -1.085 37.002 38.000 0.145 0.000 1.051 189 I HN 0.407 nan 8.210 nan 0.000 0.409 190 G N 0.715 109.650 108.800 0.225 0.000 2.440 190 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 190 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 190 G C 1.716 176.837 174.900 0.368 0.000 1.154 190 G CA 1.050 46.308 45.100 0.264 0.000 0.767 190 G HN 0.248 nan 8.290 nan 0.000 0.552 191 V N 0.883 121.027 119.914 0.384 0.000 2.295 191 V HA -0.208 3.912 4.120 0.000 0.000 0.246 191 V C 2.693 179.088 176.094 0.501 0.000 1.049 191 V CA 2.313 64.903 62.300 0.483 0.000 1.024 191 V CB -0.653 31.414 31.823 0.406 0.000 0.648 191 V HN 0.484 nan 8.190 nan 0.000 0.447 192 E N 0.245 120.664 120.200 0.366 0.000 2.023 192 E HA -0.215 4.135 4.350 0.000 0.000 0.196 192 E C 2.273 179.013 176.600 0.234 0.000 1.003 192 E CA 1.562 58.139 56.400 0.295 0.000 0.809 192 E CB -0.317 29.525 29.700 0.237 0.000 0.755 192 E HN 0.488 nan 8.360 nan 0.000 0.449 193 L N 0.591 121.947 121.223 0.222 0.000 2.012 193 L HA -0.139 4.201 4.340 0.000 0.000 0.210 193 L C 2.684 179.689 176.870 0.225 0.000 1.073 193 L CA 1.300 56.265 54.840 0.208 0.000 0.748 193 L CB -0.942 41.260 42.059 0.238 0.000 0.891 193 L HN 0.264 nan 8.230 nan 0.000 0.431 194 G N -1.057 107.875 108.800 0.220 0.000 2.469 194 G HA2 -0.331 3.629 3.960 0.000 0.000 0.219 194 G HA3 -0.331 3.629 3.960 0.000 0.000 0.219 194 G C 1.826 176.584 174.900 -0.237 0.000 1.150 194 G CA 1.189 46.270 45.100 -0.032 0.000 0.763 194 G HN 0.380 nan 8.290 nan 0.000 0.561 195 S N -0.735 115.011 115.700 0.078 0.000 2.406 195 S HA -0.013 4.457 4.470 0.000 0.000 0.228 195 S C 2.481 177.077 174.600 -0.006 0.000 1.020 195 S CA 1.109 59.355 58.200 0.077 0.000 0.965 195 S CB -0.178 63.217 63.200 0.325 0.000 0.798 195 S HN 0.124 nan 8.310 nan 0.000 0.488 196 V N 0.525 120.415 119.914 -0.040 0.000 2.233 196 V HA -0.203 3.917 4.120 0.000 0.000 0.247 196 V C 2.003 177.901 176.094 -0.327 0.000 1.050 196 V CA 2.184 64.349 62.300 -0.226 0.000 1.010 196 V CB -0.875 30.709 31.823 -0.399 0.000 0.637 196 V HN 0.683 nan 8.190 nan 0.000 0.444 197 W N -0.599 120.650 121.300 -0.084 0.000 2.388 197 W HA -0.150 4.510 4.660 0.000 0.000 0.294 197 W C 2.673 179.111 176.519 -0.136 0.000 1.212 197 W CA 1.204 58.481 57.345 -0.113 0.000 1.271 197 W CB -0.440 28.946 29.460 -0.124 0.000 1.126 197 W HN 0.173 nan 8.180 nan 0.000 0.535 198 Q N 1.458 121.253 119.800 -0.009 0.000 2.045 198 Q HA -0.229 4.111 4.340 0.000 0.000 0.206 198 Q C 2.044 178.010 176.000 -0.057 0.000 0.991 198 Q CA 1.868 57.610 55.803 -0.101 0.000 0.851 198 Q CB -0.450 28.141 28.738 -0.245 0.000 0.911 198 Q HN 0.329 nan 8.270 nan 0.000 0.418 199 R N -0.156 120.304 120.500 -0.067 0.000 2.105 199 R HA -0.076 4.264 4.340 0.000 0.000 0.239 199 R C 2.183 178.527 176.300 0.073 0.000 1.135 199 R CA 1.176 57.242 56.100 -0.058 0.000 0.967 199 R CB -0.273 30.010 30.300 -0.027 0.000 0.861 199 R HN 0.278 nan 8.270 nan 0.000 0.442 200 L N -0.386 120.851 121.223 0.022 0.000 2.645 200 L HA 0.186 4.526 4.340 0.000 0.000 0.234 200 L C 1.105 178.013 176.870 0.063 0.000 1.165 200 L CA 0.375 55.212 54.840 -0.005 0.000 0.944 200 L CB 0.251 42.215 42.059 -0.158 0.000 1.149 200 L HN 0.518 nan 8.230 nan 0.000 0.446 201 G N -0.410 108.440 108.800 0.083 0.000 2.238 201 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 201 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 201 G C 0.423 175.346 174.900 0.038 0.000 0.996 201 G CA -0.171 44.968 45.100 0.066 0.000 0.632 201 G HN 0.450 nan 8.290 nan 0.000 0.503 202 A N 0.662 123.511 122.820 0.048 0.000 2.425 202 A HA 0.497 4.817 4.320 0.000 0.000 0.249 202 A C 0.220 177.778 177.584 -0.045 0.000 1.084 202 A CA 0.498 52.538 52.037 0.006 0.000 0.781 202 A CB 0.376 19.395 19.000 0.032 0.000 1.019 202 A HN 0.359 nan 8.150 nan 0.000 0.490 203 D N 2.522 122.886 120.400 -0.060 0.000 2.336 203 D HA 0.363 5.003 4.640 0.000 0.000 0.249 203 D C -0.743 175.487 176.300 -0.116 0.000 1.213 203 D CA 0.247 54.202 54.000 -0.075 0.000 0.870 203 D CB 0.687 41.454 40.800 -0.054 0.000 1.076 203 D HN 0.139 nan 8.370 nan 0.000 0.483 204 V N 3.281 123.088 119.914 -0.177 0.000 2.628 204 V HA 0.537 4.657 4.120 0.000 0.000 0.306 204 V C 0.229 176.188 176.094 -0.225 0.000 1.045 204 V CA -0.601 61.541 62.300 -0.263 0.000 0.905 204 V CB 2.234 33.754 31.823 -0.505 0.000 0.997 204 V HN 0.570 nan 8.190 nan 0.000 0.436 205 T N 2.734 117.199 114.554 -0.147 0.000 3.032 205 T HA 0.692 5.042 4.350 0.000 0.000 0.312 205 T C -0.553 174.172 174.700 0.042 0.000 1.078 205 T CA -0.354 61.718 62.100 -0.048 0.000 1.028 205 T CB 1.714 70.568 68.868 -0.023 0.000 1.091 205 T HN 0.987 nan 8.240 nan 0.000 0.457 206 A N 2.540 125.431 122.820 0.119 0.000 2.303 206 A HA 0.751 5.071 4.320 0.000 0.000 0.320 206 A C -0.396 177.322 177.584 0.224 0.000 1.192 206 A CA -0.622 51.552 52.037 0.228 0.000 0.821 206 A CB 0.750 19.989 19.000 0.398 0.000 1.188 206 A HN 0.688 nan 8.150 nan 0.000 0.492 207 V N 3.100 123.125 119.914 0.185 0.000 2.311 207 V HA 0.340 4.460 4.120 0.000 0.000 0.275 207 V C -0.064 176.142 176.094 0.186 0.000 1.022 207 V CA -0.305 62.096 62.300 0.169 0.000 0.830 207 V CB 0.797 32.700 31.823 0.132 0.000 1.012 207 V HN 0.967 nan 8.190 nan 0.000 0.452 208 E N 3.027 123.333 120.200 0.177 0.000 2.191 208 E HA 0.337 4.687 4.350 0.000 0.000 0.274 208 E C 0.129 176.825 176.600 0.160 0.000 0.948 208 E CA -0.618 55.873 56.400 0.151 0.000 0.802 208 E CB 1.368 31.109 29.700 0.069 0.000 1.137 208 E HN 0.402 nan 8.360 nan 0.000 0.397 209 F N 4.104 124.072 119.950 0.030 0.000 2.456 209 F HA 0.274 4.801 4.527 0.000 0.000 0.298 209 F C -0.017 175.787 175.800 0.006 0.000 1.104 209 F CA 0.428 58.443 58.000 0.026 0.000 1.435 209 F CB 0.271 39.288 39.000 0.029 0.000 1.078 209 F HN 0.396 nan 8.300 nan 0.000 0.546 210 L N -0.955 120.235 121.223 -0.056 0.000 2.431 210 L HA 0.360 4.700 4.340 0.000 0.000 0.260 210 L C 1.759 178.540 176.870 -0.148 0.000 1.098 210 L CA -0.037 54.715 54.840 -0.146 0.000 0.800 210 L CB 0.577 42.574 42.059 -0.104 0.000 1.210 210 L HN 0.000 nan 8.230 nan 0.000 0.465 211 G N -1.643 107.113 108.800 -0.073 0.000 2.813 211 G HA2 0.001 3.961 3.960 0.000 0.000 0.209 211 G HA3 0.001 3.961 3.960 0.000 0.000 0.209 211 G C 0.405 175.297 174.900 -0.012 0.000 1.150 211 G CA 0.109 45.188 45.100 -0.036 0.000 0.785 211 G HN 0.697 nan 8.290 nan 0.000 0.535 212 H N -1.782 117.236 119.070 -0.087 0.000 2.812 212 H HA 0.668 5.224 4.556 0.000 0.000 0.355 212 H C -1.321 173.932 175.328 -0.125 0.000 1.207 212 H CA -1.163 54.816 56.048 -0.116 0.000 1.217 212 H CB 1.416 31.119 29.762 -0.099 0.000 1.874 212 H HN -0.006 nan 8.280 nan 0.000 0.581 213 V N -0.596 119.186 119.914 -0.220 0.000 2.667 213 V HA 0.579 4.699 4.120 0.000 0.000 0.308 213 V C 0.866 176.984 176.094 0.039 0.000 1.048 213 V CA 0.562 62.710 62.300 -0.253 0.000 0.928 213 V CB 0.873 32.339 31.823 -0.596 0.000 1.004 213 V HN 1.350 nan 8.190 nan 0.000 0.444 214 G N 2.993 111.857 108.800 0.107 0.000 2.192 214 G HA2 0.280 4.240 3.960 0.000 0.000 0.193 214 G HA3 0.280 4.240 3.960 0.000 0.000 0.193 214 G C 1.586 176.644 174.900 0.264 0.000 0.999 214 G CA 0.499 45.746 45.100 0.245 0.000 0.659 214 G HN 2.687 nan 8.290 nan 0.000 0.503 215 G N -1.523 107.391 108.800 0.190 0.000 2.632 215 G HA2 0.125 4.085 3.960 0.000 0.000 0.224 215 G HA3 0.125 4.085 3.960 0.000 0.000 0.224 215 G C 0.200 175.307 174.900 0.345 0.000 1.341 215 G CA 0.201 45.439 45.100 0.229 0.000 0.880 215 G HN 1.499 nan 8.290 nan 0.000 0.566 216 V N 1.591 121.663 119.914 0.262 0.000 2.715 216 V HA 0.439 4.559 4.120 0.000 0.000 0.299 216 V C 2.077 178.302 176.094 0.218 0.000 1.054 216 V CA 1.989 64.417 62.300 0.214 0.000 1.077 216 V CB 0.357 32.278 31.823 0.163 0.000 0.972 216 V HN 2.844 nan 8.190 nan 0.000 0.484 217 G N 3.929 112.795 108.800 0.111 0.000 2.328 217 G HA2 -0.301 3.659 3.960 0.000 0.000 0.256 217 G HA3 -0.301 3.659 3.960 0.000 0.000 0.256 217 G C 0.428 175.238 174.900 -0.149 0.000 1.014 217 G CA 0.430 45.586 45.100 0.093 0.000 0.620 217 G HN 0.754 nan 8.290 nan 0.000 0.530 218 I N 1.869 122.258 120.570 -0.301 0.000 2.872 218 I HA 0.257 4.427 4.170 0.000 0.000 0.291 218 I C 0.585 176.268 176.117 -0.724 0.000 1.216 218 I CA 0.074 60.775 61.300 -0.999 0.000 1.424 218 I CB 0.453 38.048 38.000 -0.674 0.000 1.351 218 I HN 0.287 nan 8.210 nan 0.000 0.592 219 D N 6.204 126.107 120.400 -0.830 0.000 2.390 219 D HA 0.018 4.658 4.640 0.000 0.000 0.249 219 D C 1.073 177.107 176.300 -0.442 0.000 1.144 219 D CA -0.274 53.345 54.000 -0.636 0.000 0.880 219 D CB 0.958 41.241 40.800 -0.863 0.000 1.182 219 D HN 0.397 nan 8.370 nan 0.000 0.451 220 M N 2.374 121.761 119.600 -0.355 0.000 2.082 220 M HA -0.157 4.323 4.480 0.000 0.000 0.258 220 M C 1.815 178.007 176.300 -0.181 0.000 1.069 220 M CA 1.578 56.722 55.300 -0.259 0.000 1.102 220 M CB -1.016 31.455 32.600 -0.216 0.000 1.336 220 M HN 0.693 nan 8.290 nan 0.000 0.404 221 E N 0.340 120.434 120.200 -0.177 0.000 2.058 221 E HA -0.196 4.154 4.350 0.000 0.000 0.194 221 E C 1.994 178.538 176.600 -0.094 0.000 0.997 221 E CA 1.129 57.460 56.400 -0.115 0.000 0.801 221 E CB 0.129 29.768 29.700 -0.102 0.000 0.746 221 E HN 0.301 nan 8.360 nan 0.000 0.450 222 I N 0.953 121.439 120.570 -0.139 0.000 2.163 222 I HA -0.272 3.898 4.170 0.000 0.000 0.243 222 I C 2.676 178.777 176.117 -0.027 0.000 1.085 222 I CA 1.283 62.529 61.300 -0.090 0.000 1.347 222 I CB -1.503 36.399 38.000 -0.164 0.000 1.044 222 I HN 0.180 nan 8.210 nan 0.000 0.408 223 S N 0.540 116.193 115.700 -0.078 0.000 2.370 223 S HA -0.179 4.292 4.470 0.000 0.000 0.226 223 S C 2.005 176.632 174.600 0.046 0.000 1.033 223 S CA 1.298 59.512 58.200 0.023 0.000 1.011 223 S CB 0.027 63.217 63.200 -0.018 0.000 0.852 223 S HN 0.274 nan 8.310 nan 0.000 0.457 224 K N 1.540 121.935 120.400 -0.009 0.000 2.062 224 K HA 0.123 4.443 4.320 0.000 0.000 0.205 224 K C 1.841 178.444 176.600 0.006 0.000 1.051 224 K CA 1.015 57.288 56.287 -0.022 0.000 0.941 224 K CB -1.036 31.445 32.500 -0.031 0.000 0.719 224 K HN 0.363 nan 8.250 nan 0.000 0.440 225 N N 0.716 119.438 118.700 0.036 0.000 2.289 225 N HA -0.126 4.614 4.740 0.000 0.000 0.184 225 N C 1.499 177.088 175.510 0.131 0.000 1.016 225 N CA 0.599 53.688 53.050 0.064 0.000 0.872 225 N CB -0.327 38.196 38.487 0.059 0.000 0.973 225 N HN 0.111 nan 8.380 nan 0.000 0.433 226 F N 1.719 121.654 119.950 -0.025 0.000 2.163 226 F HA -0.017 4.510 4.527 0.000 0.000 0.297 226 F C 2.403 178.187 175.800 -0.027 0.000 1.094 226 F CA 1.218 59.214 58.000 -0.008 0.000 1.290 226 F CB -0.520 38.472 39.000 -0.014 0.000 1.017 226 F HN 0.035 nan 8.300 nan 0.000 0.483 227 Q N 0.427 120.122 119.800 -0.175 0.000 2.050 227 Q HA -0.266 4.074 4.340 0.000 0.000 0.202 227 Q C 2.569 178.479 176.000 -0.149 0.000 0.980 227 Q CA 1.927 57.514 55.803 -0.360 0.000 0.840 227 Q CB -0.336 28.187 28.738 -0.359 0.000 0.898 227 Q HN 0.450 nan 8.270 nan 0.000 0.424 228 R N 0.188 120.653 120.500 -0.059 0.000 2.096 228 R HA -0.179 4.161 4.340 0.000 0.000 0.240 228 R C 2.220 178.531 176.300 0.019 0.000 1.139 228 R CA 1.922 58.022 56.100 0.001 0.000 0.952 228 R CB -0.374 29.936 30.300 0.018 0.000 0.854 228 R HN 0.357 nan 8.270 nan 0.000 0.436 229 I N 0.707 121.288 120.570 0.018 0.000 2.286 229 I HA -0.282 3.888 4.170 0.000 0.000 0.248 229 I C 2.187 178.325 176.117 0.035 0.000 1.115 229 I CA 1.051 62.381 61.300 0.051 0.000 1.392 229 I CB -0.203 37.859 38.000 0.104 0.000 1.065 229 I HN 0.246 nan 8.210 nan 0.000 0.418 230 L N -0.033 121.154 121.223 -0.059 0.000 2.093 230 L HA -0.202 4.139 4.340 0.000 0.000 0.208 230 L C 2.607 179.548 176.870 0.118 0.000 1.085 230 L CA 1.346 56.182 54.840 -0.007 0.000 0.755 230 L CB -0.490 41.461 42.059 -0.179 0.000 0.904 230 L HN 0.294 nan 8.230 nan 0.000 0.435 231 Q N -0.353 119.521 119.800 0.124 0.000 2.172 231 Q HA -0.180 4.160 4.340 0.000 0.000 0.200 231 Q C 2.059 178.115 176.000 0.094 0.000 0.964 231 Q CA 0.838 56.722 55.803 0.135 0.000 0.855 231 Q CB -0.028 28.797 28.738 0.145 0.000 0.918 231 Q HN 0.176 nan 8.270 nan 0.000 0.444 232 K N 1.017 121.466 120.400 0.081 0.000 2.515 232 K HA -0.136 4.184 4.320 0.000 0.000 0.196 232 K C 1.162 177.810 176.600 0.080 0.000 1.038 232 K CA 1.022 57.353 56.287 0.073 0.000 0.967 232 K CB 0.241 32.783 32.500 0.070 0.000 0.780 232 K HN 0.354 nan 8.250 nan 0.000 0.483 233 Q N -1.722 118.133 119.800 0.091 0.000 2.396 233 Q HA 0.099 4.439 4.340 0.000 0.000 0.209 233 Q C 0.832 176.863 176.000 0.052 0.000 0.906 233 Q CA 0.582 56.435 55.803 0.084 0.000 0.927 233 Q CB 0.867 29.670 28.738 0.109 0.000 1.069 233 Q HN 0.488 nan 8.270 nan 0.000 0.523 234 G N 0.660 109.500 108.800 0.066 0.000 2.336 234 G HA2 -0.233 3.727 3.960 0.000 0.000 0.194 234 G HA3 -0.233 3.727 3.960 0.000 0.000 0.194 234 G C -0.279 174.648 174.900 0.044 0.000 0.999 234 G CA -0.595 44.525 45.100 0.034 0.000 0.669 234 G HN 0.263 nan 8.290 nan 0.000 0.482 235 F N 3.949 123.830 119.950 -0.115 0.000 2.533 235 F HA 0.560 5.087 4.527 0.000 0.000 0.378 235 F C 0.770 176.343 175.800 -0.378 0.000 1.070 235 F CA -0.574 57.270 58.000 -0.259 0.000 1.172 235 F CB 0.340 39.188 39.000 -0.254 0.000 1.085 235 F HN 0.078 nan 8.300 nan 0.000 0.552 236 K N 5.932 126.336 120.400 0.007 0.000 2.123 236 K HA 0.555 4.875 4.320 0.000 0.000 0.259 236 K C -1.360 175.047 176.600 -0.322 0.000 0.960 236 K CA -0.499 55.733 56.287 -0.093 0.000 0.872 236 K CB 1.443 33.931 32.500 -0.020 0.000 1.079 236 K HN 0.335 nan 8.250 nan 0.000 0.440 237 F N 0.933 120.931 119.950 0.080 0.000 2.551 237 F HA 0.389 4.916 4.527 0.000 0.000 0.316 237 F C 0.035 175.854 175.800 0.032 0.000 1.089 237 F CA -0.836 57.185 58.000 0.035 0.000 0.915 237 F CB 2.013 40.977 39.000 -0.060 0.000 1.186 237 F HN 0.183 nan 8.300 nan 0.000 0.456 238 K N 4.195 124.735 120.400 0.233 0.000 2.624 238 K HA 0.452 4.772 4.320 0.000 0.000 0.200 238 K C -0.899 175.781 176.600 0.134 0.000 1.036 238 K CA -0.212 56.161 56.287 0.143 0.000 1.029 238 K CB 0.770 33.335 32.500 0.108 0.000 1.317 238 K HN 0.520 nan 8.250 nan 0.000 0.555 239 L N 1.243 122.527 121.223 0.100 0.000 2.475 239 L HA 0.195 4.535 4.340 0.000 0.000 0.253 239 L C 0.762 177.636 176.870 0.007 0.000 1.198 239 L CA -0.563 54.299 54.840 0.037 0.000 0.814 239 L CB 0.241 42.289 42.059 -0.018 0.000 1.134 239 L HN 0.677 nan 8.230 nan 0.000 0.478 240 N N -0.136 118.534 118.700 -0.050 0.000 2.721 240 N HA -0.154 4.586 4.740 0.000 0.000 0.249 240 N C -0.620 174.863 175.510 -0.045 0.000 1.072 240 N CA 0.960 53.941 53.050 -0.115 0.000 0.710 240 N CB -1.168 37.261 38.487 -0.096 0.000 0.993 240 N HN 0.685 nan 8.380 nan 0.000 0.547 241 T N 0.391 114.972 114.554 0.045 0.000 2.921 241 T HA 0.301 4.651 4.350 0.000 0.000 0.297 241 T C 0.029 174.873 174.700 0.240 0.000 1.013 241 T CA -0.704 61.468 62.100 0.121 0.000 0.990 241 T CB 2.903 71.833 68.868 0.103 0.000 1.023 241 T HN 0.081 nan 8.240 nan 0.000 0.447 242 K N 2.741 123.311 120.400 0.284 0.000 2.159 242 K HA 0.555 4.875 4.320 0.000 0.000 0.266 242 K C -0.844 175.876 176.600 0.199 0.000 0.975 242 K CA -0.581 55.889 56.287 0.305 0.000 0.865 242 K CB 1.113 33.794 32.500 0.302 0.000 1.087 242 K HN 0.355 nan 8.250 nan 0.000 0.446 243 V N 4.659 124.700 119.914 0.212 0.000 2.368 243 V HA 0.019 4.139 4.120 0.000 0.000 0.266 243 V C 1.487 177.760 176.094 0.298 0.000 1.045 243 V CA -0.131 62.295 62.300 0.209 0.000 0.899 243 V CB 0.723 32.671 31.823 0.209 0.000 1.006 243 V HN 1.048 nan 8.190 nan 0.000 0.470 244 T N 1.534 116.211 114.554 0.205 0.000 2.978 244 T HA 0.349 4.699 4.350 0.000 0.000 0.262 244 T C 0.804 175.663 174.700 0.264 0.000 1.063 244 T CA 0.668 62.896 62.100 0.214 0.000 1.140 244 T CB 0.338 69.276 68.868 0.118 0.000 0.886 244 T HN 1.021 nan 8.240 nan 0.000 0.470 245 G N -0.315 108.559 108.800 0.124 0.000 2.356 245 G HA2 0.613 4.573 3.960 0.000 0.000 0.294 245 G HA3 0.613 4.573 3.960 0.000 0.000 0.294 245 G C -1.997 172.844 174.900 -0.099 0.000 1.423 245 G CA -0.468 44.637 45.100 0.009 0.000 0.806 245 G HN 0.757 nan 8.290 nan 0.000 0.527 246 A N -0.961 121.779 122.820 -0.132 0.000 2.594 246 A HA 0.978 5.298 4.320 0.000 0.000 0.295 246 A C -0.625 176.909 177.584 -0.083 0.000 1.071 246 A CA 0.064 52.029 52.037 -0.121 0.000 0.685 246 A CB 2.022 20.912 19.000 -0.183 0.000 1.285 246 A HN 2.040 nan 8.150 nan 0.000 0.405 247 T N 1.065 115.580 114.554 -0.064 0.000 3.105 247 T HA 0.474 4.824 4.350 0.000 0.000 0.321 247 T C -1.289 173.384 174.700 -0.045 0.000 1.135 247 T CA -0.671 61.400 62.100 -0.047 0.000 1.053 247 T CB 0.709 69.559 68.868 -0.030 0.000 1.133 247 T HN 0.885 nan 8.240 nan 0.000 0.463 248 K N 4.457 124.831 120.400 -0.044 0.000 2.339 248 K HA 0.392 4.712 4.320 0.000 0.000 0.286 248 K C -0.073 176.506 176.600 -0.034 0.000 1.050 248 K CA -0.816 55.445 56.287 -0.042 0.000 0.956 248 K CB 0.830 33.303 32.500 -0.044 0.000 0.990 248 K HN 0.377 nan 8.250 nan 0.000 0.475 249 K N 1.823 122.203 120.400 -0.033 0.000 2.258 249 K HA 0.036 4.356 4.320 0.000 0.000 0.264 249 K C 0.911 177.496 176.600 -0.026 0.000 1.007 249 K CA 0.005 56.275 56.287 -0.027 0.000 0.941 249 K CB 1.029 33.513 32.500 -0.027 0.000 0.966 249 K HN 0.653 nan 8.250 nan 0.000 0.480 250 S N 1.431 117.118 115.700 -0.021 0.000 2.440 250 S HA -0.201 4.269 4.470 0.000 0.000 0.238 250 S C 1.331 175.919 174.600 -0.021 0.000 1.010 250 S CA 1.829 60.017 58.200 -0.019 0.000 0.972 250 S CB -0.219 62.971 63.200 -0.016 0.000 0.774 250 S HN 0.773 nan 8.310 nan 0.000 0.501 251 D N -0.209 120.178 120.400 -0.022 0.000 2.249 251 D HA 0.191 4.831 4.640 0.000 0.000 0.205 251 D C 1.406 177.689 176.300 -0.028 0.000 0.962 251 D CA 1.133 55.119 54.000 -0.023 0.000 0.860 251 D CB -0.116 40.670 40.800 -0.022 0.000 0.955 251 D HN 0.354 nan 8.370 nan 0.000 0.505 252 G N -0.302 108.479 108.800 -0.031 0.000 2.699 252 G HA2 -0.215 3.745 3.960 0.000 0.000 0.198 252 G HA3 -0.215 3.745 3.960 0.000 0.000 0.198 252 G C 0.235 175.108 174.900 -0.045 0.000 1.033 252 G CA -0.134 44.944 45.100 -0.038 0.000 0.728 252 G HN 0.362 nan 8.290 nan 0.000 0.484 253 K N 0.391 120.765 120.400 -0.043 0.000 2.156 253 K HA 0.596 4.916 4.320 0.000 0.000 0.242 253 K C -0.212 176.358 176.600 -0.049 0.000 1.033 253 K CA 0.288 56.546 56.287 -0.049 0.000 0.878 253 K CB 1.237 33.711 32.500 -0.043 0.000 1.057 253 K HN 0.397 nan 8.250 nan 0.000 0.505 254 I N 0.261 120.798 120.570 -0.055 0.000 2.498 254 I HA 0.198 4.368 4.170 0.000 0.000 0.290 254 I C -1.349 174.736 176.117 -0.052 0.000 1.032 254 I CA -0.731 60.535 61.300 -0.057 0.000 1.073 254 I CB 1.647 39.605 38.000 -0.070 0.000 1.251 254 I HN 0.450 nan 8.210 nan 0.000 0.426 255 D N 7.313 127.686 120.400 -0.046 0.000 2.232 255 D HA 0.349 4.989 4.640 0.000 0.000 0.242 255 D C -0.695 175.578 176.300 -0.044 0.000 1.093 255 D CA -0.031 53.947 54.000 -0.038 0.000 0.845 255 D CB 2.455 43.239 40.800 -0.027 0.000 1.124 255 D HN 0.206 nan 8.370 nan 0.000 0.467 256 V N 2.115 122.006 119.914 -0.039 0.000 2.357 256 V HA 0.236 4.356 4.120 0.000 0.000 0.284 256 V C 0.290 176.376 176.094 -0.013 0.000 1.018 256 V CA -0.879 61.396 62.300 -0.041 0.000 0.841 256 V CB 1.306 33.102 31.823 -0.045 0.000 0.991 256 V HN 0.545 nan 8.190 nan 0.000 0.437 257 S N 6.397 122.094 115.700 -0.005 0.000 2.489 257 S HA 0.812 5.282 4.470 0.000 0.000 0.277 257 S C -0.290 174.336 174.600 0.043 0.000 1.230 257 S CA -0.573 57.638 58.200 0.019 0.000 1.053 257 S CB 0.964 64.177 63.200 0.023 0.000 0.955 257 S HN 0.751 nan 8.310 nan 0.000 0.488 258 I N -0.749 119.851 120.570 0.050 0.000 3.294 258 I HA 0.929 5.099 4.170 0.000 0.000 0.311 258 I C -0.853 175.307 176.117 0.071 0.000 1.111 258 I CA -1.371 59.973 61.300 0.073 0.000 0.976 258 I CB 2.265 40.308 38.000 0.073 0.000 1.260 258 I HN 0.849 nan 8.210 nan 0.000 0.474 259 E N 1.105 121.357 120.200 0.087 0.000 2.398 259 E HA 0.556 4.906 4.350 0.000 0.000 0.280 259 E C -1.475 175.180 176.600 0.092 0.000 1.122 259 E CA -1.152 55.295 56.400 0.077 0.000 0.873 259 E CB 0.918 30.663 29.700 0.074 0.000 1.294 259 E HN 0.973 nan 8.360 nan 0.000 0.435 260 A N 0.923 123.784 122.820 0.069 0.000 2.555 260 A HA 0.406 4.726 4.320 0.000 0.000 0.233 260 A C 1.446 179.081 177.584 0.086 0.000 1.060 260 A CA 0.600 52.672 52.037 0.058 0.000 0.759 260 A CB 0.096 19.116 19.000 0.033 0.000 0.995 260 A HN 1.057 nan 8.150 nan 0.000 0.506 261 A N 2.064 124.913 122.820 0.048 0.000 1.986 261 A HA -0.081 4.239 4.320 0.000 0.000 0.220 261 A C 2.131 179.784 177.584 0.115 0.000 1.171 261 A CA 2.642 54.713 52.037 0.056 0.000 0.640 261 A CB -0.870 17.895 19.000 -0.392 0.000 0.811 261 A HN 1.405 nan 8.150 nan 0.000 0.451 262 S N -1.016 114.709 115.700 0.041 0.000 3.171 262 S HA 0.491 4.961 4.470 0.000 0.000 0.170 262 S C 1.217 175.854 174.600 0.062 0.000 0.773 262 S CA 0.040 58.274 58.200 0.056 0.000 1.114 262 S CB -1.191 62.019 63.200 0.017 0.000 0.657 262 S HN 0.849 nan 8.310 nan 0.000 0.624 263 G N 0.757 109.580 108.800 0.039 0.000 2.491 263 G HA2 0.467 4.427 3.960 0.000 0.000 0.242 263 G HA3 0.467 4.427 3.960 0.000 0.000 0.242 263 G C 0.130 175.055 174.900 0.042 0.000 1.266 263 G CA -0.190 44.932 45.100 0.038 0.000 0.844 263 G HN 0.754 nan 8.290 nan 0.000 0.571 264 G N 0.387 109.212 108.800 0.043 0.000 2.320 264 G HA2 0.429 4.389 3.960 0.000 0.000 0.300 264 G HA3 0.429 4.389 3.960 0.000 0.000 0.300 264 G C 0.218 175.139 174.900 0.036 0.000 1.126 264 G CA -0.647 44.480 45.100 0.045 0.000 0.896 264 G HN 0.497 nan 8.290 nan 0.000 0.436 265 K N 2.282 122.703 120.400 0.036 0.000 2.994 265 K HA 0.340 4.660 4.320 0.000 0.000 0.231 265 K C 1.116 177.735 176.600 0.033 0.000 1.174 265 K CA -0.218 56.086 56.287 0.030 0.000 1.221 265 K CB 0.547 33.063 32.500 0.027 0.000 1.166 265 K HN 0.615 nan 8.250 nan 0.000 0.453 266 A N 2.577 125.418 122.820 0.035 0.000 2.488 266 A HA -0.162 4.158 4.320 0.000 0.000 0.285 266 A C 0.313 177.915 177.584 0.030 0.000 1.059 266 A CA 0.717 52.776 52.037 0.036 0.000 0.977 266 A CB -0.697 18.323 19.000 0.034 0.000 0.908 266 A HN 0.630 nan 8.150 nan 0.000 0.514 267 E N 1.161 121.380 120.200 0.031 0.000 2.396 267 E HA 0.830 5.180 4.350 0.000 0.000 0.251 267 E C -0.978 175.635 176.600 0.023 0.000 0.949 267 E CA -1.094 55.321 56.400 0.025 0.000 0.834 267 E CB 1.536 31.250 29.700 0.024 0.000 1.309 267 E HN 0.215 nan 8.360 nan 0.000 0.405 268 V N 0.684 120.607 119.914 0.016 0.000 3.007 268 V HA 0.538 4.658 4.120 0.000 0.000 0.311 268 V C -0.344 175.753 176.094 0.005 0.000 1.120 268 V CA -0.729 61.577 62.300 0.010 0.000 0.980 268 V CB 1.673 33.499 31.823 0.004 0.000 1.033 268 V HN 0.741 nan 8.190 nan 0.000 0.429 269 I N -0.388 120.182 120.570 -0.001 0.000 3.074 269 I HA 0.879 5.049 4.170 0.000 0.000 0.310 269 I C -0.720 175.386 176.117 -0.018 0.000 1.153 269 I CA -0.513 60.782 61.300 -0.007 0.000 0.993 269 I CB 2.757 40.756 38.000 -0.003 0.000 1.237 269 I HN 0.494 nan 8.210 nan 0.000 0.443 270 T N 2.224 116.764 114.554 -0.023 0.000 2.900 270 T HA 0.703 5.053 4.350 0.000 0.000 0.295 270 T C -0.635 174.040 174.700 -0.041 0.000 1.044 270 T CA -0.500 61.581 62.100 -0.032 0.000 0.995 270 T CB 1.612 70.463 68.868 -0.029 0.000 1.072 270 T HN 1.009 nan 8.240 nan 0.000 0.473 271 C N 0.444 119.713 119.300 -0.052 0.000 3.332 271 C HA 0.683 5.143 4.460 0.000 0.000 0.329 271 C C 0.586 175.530 174.990 -0.077 0.000 1.434 271 C CA -0.769 58.209 59.018 -0.066 0.000 1.314 271 C CB 0.871 28.566 27.740 -0.074 0.000 1.664 271 C HN 0.737 nan 8.230 nan 0.000 0.457 272 D N 0.111 120.455 120.400 -0.093 0.000 2.162 272 D HA 0.205 4.845 4.640 0.000 0.000 0.205 272 D C 0.411 176.636 176.300 -0.124 0.000 0.964 272 D CA 1.286 55.224 54.000 -0.104 0.000 0.847 272 D CB 0.230 40.960 40.800 -0.116 0.000 0.988 272 D HN 0.512 nan 8.370 nan 0.000 0.480 273 V N 0.773 120.600 119.914 -0.146 0.000 2.841 273 V HA 0.391 4.511 4.120 0.000 0.000 0.310 273 V C -1.264 174.747 176.094 -0.139 0.000 1.090 273 V CA -1.047 61.156 62.300 -0.162 0.000 0.930 273 V CB 2.725 34.404 31.823 -0.240 0.000 1.014 273 V HN -0.085 nan 8.190 nan 0.000 0.425 274 L N 5.080 126.230 121.223 -0.121 0.000 2.325 274 L HA 0.697 5.037 4.340 0.000 0.000 0.281 274 L C -1.029 175.790 176.870 -0.086 0.000 1.004 274 L CA -0.397 54.382 54.840 -0.101 0.000 0.823 274 L CB 1.446 43.441 42.059 -0.107 0.000 1.236 274 L HN 0.635 nan 8.230 nan 0.000 0.415 275 L N 7.041 128.230 121.223 -0.058 0.000 2.264 275 L HA 0.479 4.819 4.340 0.000 0.000 0.287 275 L C -0.854 176.024 176.870 0.012 0.000 1.039 275 L CA -0.240 54.589 54.840 -0.019 0.000 0.829 275 L CB 1.196 43.261 42.059 0.011 0.000 1.211 275 L HN 0.414 nan 8.230 nan 0.000 0.427 276 V N 4.853 124.773 119.914 0.010 0.000 2.370 276 V HA 0.154 4.274 4.120 0.000 0.000 0.257 276 V C 0.463 176.611 176.094 0.090 0.000 1.064 276 V CA -0.250 62.077 62.300 0.046 0.000 0.975 276 V CB 0.375 32.217 31.823 0.032 0.000 1.067 276 V HN 0.907 nan 8.190 nan 0.000 0.485 277 C N 7.136 126.506 119.300 0.118 0.000 3.414 277 C HA 0.464 4.924 4.460 0.000 0.000 0.208 277 C C 1.156 176.228 174.990 0.136 0.000 1.422 277 C CA -0.520 58.572 59.018 0.124 0.000 1.437 277 C CB -0.912 26.908 27.740 0.133 0.000 1.850 277 C HN 0.906 nan 8.230 nan 0.000 0.481 278 I N 0.403 121.055 120.570 0.136 0.000 3.889 278 I HA 0.593 4.763 4.170 0.000 0.000 0.332 278 I C 0.787 176.957 176.117 0.088 0.000 1.493 278 I CA 0.292 61.664 61.300 0.119 0.000 1.158 278 I CB -0.415 37.661 38.000 0.126 0.000 1.117 278 I HN 0.502 nan 8.210 nan 0.000 0.411 279 G N 1.286 110.141 108.800 0.091 0.000 2.384 279 G HA2 0.049 4.009 3.960 0.000 0.000 0.668 279 G HA3 0.049 4.009 3.960 0.000 0.000 0.668 279 G C -1.087 173.856 174.900 0.072 0.000 1.280 279 G CA -1.093 44.053 45.100 0.078 0.000 0.992 279 G HN 0.373 nan 8.290 nan 0.000 0.512 280 R N -0.574 119.965 120.500 0.065 0.000 2.808 280 R HA 0.795 5.135 4.340 0.000 0.000 0.272 280 R C 0.032 176.369 176.300 0.062 0.000 0.995 280 R CA -0.995 55.142 56.100 0.063 0.000 0.917 280 R CB 2.341 32.676 30.300 0.058 0.000 1.217 280 R HN 0.936 nan 8.270 nan 0.000 0.471 281 R N 0.366 120.911 120.500 0.075 0.000 2.771 281 R HA 0.520 4.860 4.340 0.000 0.000 0.274 281 R C -2.909 173.453 176.300 0.103 0.000 0.987 281 R CA -2.176 53.969 56.100 0.075 0.000 0.908 281 R CB 1.909 32.250 30.300 0.069 0.000 1.213 281 R HN 0.298 nan 8.270 nan 0.000 0.468 282 P HA -0.059 nan 4.420 nan 0.000 0.265 282 P C -1.159 176.231 177.300 0.151 0.000 1.193 282 P CA 0.144 63.305 63.100 0.102 0.000 0.765 282 P CB 0.299 32.032 31.700 0.056 0.000 0.823 283 F N 4.119 124.081 119.950 0.019 0.000 2.361 283 F HA 0.342 4.869 4.527 0.000 0.000 0.364 283 F C 0.671 176.482 175.800 0.019 0.000 1.117 283 F CA -0.083 57.931 58.000 0.024 0.000 1.071 283 F CB 0.975 39.989 39.000 0.023 0.000 1.188 283 F HN 0.294 nan 8.300 nan 0.000 0.464 284 T N 1.102 115.337 114.554 -0.530 0.000 3.337 284 T HA 0.210 4.560 4.350 0.000 0.000 0.299 284 T C 0.112 174.544 174.700 -0.446 0.000 0.998 284 T CA -0.626 61.246 62.100 -0.378 0.000 0.948 284 T CB -0.332 68.438 68.868 -0.163 0.000 1.170 284 T HN 0.308 nan 8.240 nan 0.000 0.508 285 K N 3.084 122.980 120.400 -0.840 0.000 2.491 285 K HA 0.090 4.410 4.320 0.000 0.000 0.279 285 K C 0.481 177.049 176.600 -0.053 0.000 1.026 285 K CA 0.575 56.608 56.287 -0.423 0.000 1.070 285 K CB -0.666 31.561 32.500 -0.455 0.000 0.887 285 K HN 0.514 nan 8.250 nan 0.000 0.481 286 N N 2.052 120.758 118.700 0.009 0.000 2.696 286 N HA -0.260 4.480 4.740 0.000 0.000 0.249 286 N C 0.125 175.723 175.510 0.147 0.000 1.090 286 N CA 0.437 53.545 53.050 0.095 0.000 0.716 286 N CB -0.755 37.801 38.487 0.114 0.000 1.020 286 N HN 0.350 nan 8.380 nan 0.000 0.548 287 L N -0.497 120.754 121.223 0.046 0.000 2.395 287 L HA 0.181 4.521 4.340 0.000 0.000 0.218 287 L C 1.729 178.614 176.870 0.026 0.000 1.130 287 L CA 2.006 56.860 54.840 0.024 0.000 0.826 287 L CB -0.455 41.581 42.059 -0.038 0.000 0.941 287 L HN 0.511 nan 8.230 nan 0.000 0.451 288 G N -1.905 106.906 108.800 0.018 0.000 2.159 288 G HA2 -0.270 3.690 3.960 0.000 0.000 0.227 288 G HA3 -0.270 3.690 3.960 0.000 0.000 0.227 288 G C 1.054 175.954 174.900 -0.000 0.000 0.986 288 G CA 0.400 45.508 45.100 0.013 0.000 0.651 288 G HN 0.341 nan 8.290 nan 0.000 0.523 289 L N -0.002 121.215 121.223 -0.010 0.000 2.013 289 L HA -0.098 4.242 4.340 0.000 0.000 0.212 289 L C 2.574 179.436 176.870 -0.013 0.000 1.073 289 L CA 2.166 56.998 54.840 -0.014 0.000 0.753 289 L CB -0.478 41.567 42.059 -0.023 0.000 0.890 289 L HN 0.420 nan 8.230 nan 0.000 0.432 290 E N 0.334 120.526 120.200 -0.014 0.000 2.153 290 E HA -0.241 4.109 4.350 0.000 0.000 0.194 290 E C 1.991 178.585 176.600 -0.009 0.000 0.988 290 E CA 1.343 57.736 56.400 -0.012 0.000 0.811 290 E CB 0.146 29.838 29.700 -0.013 0.000 0.746 290 E HN 0.548 nan 8.360 nan 0.000 0.466 291 E N 0.128 120.324 120.200 -0.006 0.000 2.072 291 E HA -0.122 4.228 4.350 0.000 0.000 0.190 291 E C 2.177 178.773 176.600 -0.006 0.000 0.982 291 E CA 0.736 57.133 56.400 -0.004 0.000 0.803 291 E CB 0.013 29.712 29.700 -0.001 0.000 0.755 291 E HN 0.230 nan 8.360 nan 0.000 0.453 292 L N -0.710 120.509 121.223 -0.007 0.000 2.191 292 L HA -0.050 4.290 4.340 0.000 0.000 0.212 292 L C 1.595 178.457 176.870 -0.012 0.000 1.103 292 L CA 0.990 55.825 54.840 -0.009 0.000 0.769 292 L CB -0.258 41.795 42.059 -0.010 0.000 0.908 292 L HN 0.434 nan 8.230 nan 0.000 0.438 293 G N -0.118 108.675 108.800 -0.013 0.000 2.148 293 G HA2 -0.226 3.734 3.960 0.000 0.000 0.203 293 G HA3 -0.226 3.734 3.960 0.000 0.000 0.203 293 G C 0.171 175.061 174.900 -0.017 0.000 0.993 293 G CA -0.465 44.626 45.100 -0.014 0.000 0.661 293 G HN 0.225 nan 8.290 nan 0.000 0.518 294 I N 2.413 122.973 120.570 -0.017 0.000 2.278 294 I HA 0.210 4.380 4.170 0.000 0.000 0.296 294 I C 0.556 176.663 176.117 -0.017 0.000 1.121 294 I CA -0.190 61.099 61.300 -0.018 0.000 1.267 294 I CB 0.272 38.261 38.000 -0.017 0.000 1.447 294 I HN 0.181 nan 8.210 nan 0.000 0.509 295 E N 6.359 126.550 120.200 -0.016 0.000 2.331 295 E HA 0.385 4.735 4.350 0.000 0.000 0.272 295 E C -0.451 176.141 176.600 -0.014 0.000 1.036 295 E CA -0.596 55.795 56.400 -0.015 0.000 0.864 295 E CB 1.520 31.211 29.700 -0.014 0.000 1.035 295 E HN 0.473 nan 8.360 nan 0.000 0.408 296 L N 2.143 123.358 121.223 -0.014 0.000 2.456 296 L HA 0.140 4.480 4.340 0.000 0.000 0.257 296 L C 0.693 177.558 176.870 -0.009 0.000 1.162 296 L CA -0.651 54.182 54.840 -0.012 0.000 0.808 296 L CB 0.240 42.289 42.059 -0.016 0.000 1.136 296 L HN 0.654 nan 8.230 nan 0.000 0.466 297 D N 0.259 120.655 120.400 -0.007 0.000 2.478 297 D HA 0.210 4.850 4.640 0.000 0.000 0.274 297 D C -2.041 174.256 176.300 -0.005 0.000 1.234 297 D CA -1.741 52.256 54.000 -0.006 0.000 1.069 297 D CB -0.114 40.683 40.800 -0.005 0.000 1.113 297 D HN 0.128 nan 8.370 nan 0.000 0.571 298 P HA -0.032 nan 4.420 nan 0.000 0.216 298 P C 0.960 178.259 177.300 -0.002 0.000 1.150 298 P CA 1.355 64.453 63.100 -0.004 0.000 0.837 298 P CB 0.113 31.811 31.700 -0.003 0.000 0.786 299 R N -1.656 118.844 120.500 -0.000 0.000 2.323 299 R HA 0.221 4.561 4.340 0.000 0.000 0.198 299 R C 1.246 177.550 176.300 0.007 0.000 0.988 299 R CA 0.719 56.822 56.100 0.004 0.000 1.041 299 R CB -0.520 29.783 30.300 0.005 0.000 0.926 299 R HN 0.188 nan 8.270 nan 0.000 0.476 300 G N 1.418 110.219 108.800 0.002 0.000 2.157 300 G HA2 -0.308 3.652 3.960 0.000 0.000 0.248 300 G HA3 -0.308 3.652 3.960 0.000 0.000 0.248 300 G C -0.015 174.886 174.900 0.001 0.000 0.979 300 G CA -0.256 44.843 45.100 -0.000 0.000 0.650 300 G HN 0.275 nan 8.290 nan 0.000 0.529 301 R N -0.291 120.212 120.500 0.005 0.000 2.531 301 R HA 0.586 4.926 4.340 0.000 0.000 0.273 301 R C 0.620 176.925 176.300 0.008 0.000 1.070 301 R CA -0.549 55.556 56.100 0.010 0.000 1.112 301 R CB 0.897 31.202 30.300 0.009 0.000 1.049 301 R HN 0.275 nan 8.270 nan 0.000 0.508 302 I N 4.644 125.225 120.570 0.018 0.000 2.379 302 I HA 0.145 4.315 4.170 0.000 0.000 0.290 302 I C -1.762 174.369 176.117 0.024 0.000 1.063 302 I CA -1.987 59.324 61.300 0.018 0.000 1.351 302 I CB 0.822 38.840 38.000 0.030 0.000 1.410 302 I HN 0.266 nan 8.210 nan 0.000 0.505 303 P HA 0.208 nan 4.420 nan 0.000 0.280 303 P C -0.738 176.562 177.300 -0.001 0.000 1.244 303 P CA -0.081 63.019 63.100 0.001 0.000 0.784 303 P CB 1.553 33.247 31.700 -0.010 0.000 0.913 304 V N 0.092 120.002 119.914 -0.008 0.000 3.130 304 V HA 0.627 4.747 4.120 0.000 0.000 0.310 304 V C -0.287 175.756 176.094 -0.086 0.000 1.158 304 V CA -1.170 61.116 62.300 -0.025 0.000 1.029 304 V CB 1.774 33.627 31.823 0.050 0.000 1.057 304 V HN 0.615 nan 8.190 nan 0.000 0.436 305 N N 0.047 118.684 118.700 -0.105 0.000 2.495 305 N HA 0.280 5.020 4.740 0.000 0.000 0.294 305 N C 1.143 176.518 175.510 -0.225 0.000 1.276 305 N CA 0.233 53.206 53.050 -0.127 0.000 0.973 305 N CB -0.143 38.288 38.487 -0.093 0.000 1.143 305 N HN 0.998 nan 8.380 nan 0.000 0.589 306 T N -3.776 110.664 114.554 -0.189 0.000 3.025 306 T HA -0.001 4.349 4.350 0.000 0.000 0.270 306 T C 1.066 175.619 174.700 -0.245 0.000 1.126 306 T CA 0.863 62.814 62.100 -0.250 0.000 1.105 306 T CB -0.163 68.620 68.868 -0.142 0.000 0.884 306 T HN 0.365 nan 8.240 nan 0.000 0.522 307 R N -0.645 119.792 120.500 -0.105 0.000 2.393 307 R HA 0.501 4.841 4.340 0.000 0.000 0.244 307 R C -0.195 176.325 176.300 0.367 0.000 0.920 307 R CA -0.699 55.472 56.100 0.118 0.000 1.076 307 R CB -0.824 29.568 30.300 0.153 0.000 1.119 307 R HN 0.394 nan 8.270 nan 0.000 0.524 308 F N -0.981 119.048 119.950 0.131 0.000 2.926 308 F HA -0.294 4.233 4.527 0.000 0.000 0.288 308 F C -0.158 175.730 175.800 0.147 0.000 0.756 308 F CA 0.537 58.633 58.000 0.160 0.000 1.292 308 F CB -1.747 37.364 39.000 0.185 0.000 1.482 308 F HN 0.138 nan 8.300 nan 0.000 0.400 309 Q N 0.677 120.505 119.800 0.046 0.000 2.288 309 Q HA 0.404 4.744 4.340 0.000 0.000 0.258 309 Q C 1.017 176.924 176.000 -0.155 0.000 0.957 309 Q CA 0.269 55.899 55.803 -0.288 0.000 0.919 309 Q CB 1.349 29.859 28.738 -0.380 0.000 1.185 309 Q HN 0.381 nan 8.270 nan 0.000 0.408 310 T N -1.115 113.346 114.554 -0.155 0.000 2.715 310 T HA 0.053 4.403 4.350 0.000 0.000 0.320 310 T C 1.145 175.784 174.700 -0.103 0.000 1.046 310 T CA -0.402 61.648 62.100 -0.082 0.000 0.983 310 T CB 0.572 69.410 68.868 -0.051 0.000 1.183 310 T HN 0.693 nan 8.240 nan 0.000 0.522 311 K N -0.555 119.804 120.400 -0.069 0.000 2.152 311 K HA -0.004 4.316 4.320 0.000 0.000 0.206 311 K C 0.486 177.040 176.600 -0.076 0.000 1.048 311 K CA 1.067 57.317 56.287 -0.063 0.000 0.933 311 K CB -0.393 32.081 32.500 -0.043 0.000 0.721 311 K HN 0.648 nan 8.250 nan 0.000 0.447 312 I N 3.110 123.628 120.570 -0.086 0.000 2.307 312 I HA 0.100 4.270 4.170 0.000 0.000 0.287 312 I C -1.573 174.450 176.117 -0.156 0.000 1.054 312 I CA -2.057 59.189 61.300 -0.090 0.000 1.218 312 I CB 1.479 39.443 38.000 -0.061 0.000 1.398 312 I HN 0.057 nan 8.210 nan 0.000 0.475 313 P HA -0.242 nan 4.420 nan 0.000 0.219 313 P C 0.581 177.673 177.300 -0.346 0.000 1.145 313 P CA 1.615 64.563 63.100 -0.254 0.000 0.813 313 P CB -0.009 31.609 31.700 -0.137 0.000 0.771 314 N N -0.694 117.896 118.700 -0.183 0.000 2.236 314 N HA 0.057 4.797 4.740 0.000 0.000 0.196 314 N C 0.324 175.850 175.510 0.026 0.000 1.114 314 N CA -0.138 52.892 53.050 -0.034 0.000 0.859 314 N CB 0.105 38.610 38.487 0.029 0.000 0.982 314 N HN 0.217 nan 8.380 nan 0.000 0.493 315 I N 1.490 121.977 120.570 -0.138 0.000 2.362 315 I HA 0.334 4.504 4.170 0.000 0.000 0.289 315 I C -0.992 175.070 176.117 -0.093 0.000 0.994 315 I CA -0.844 60.452 61.300 -0.007 0.000 1.158 315 I CB 0.865 38.853 38.000 -0.020 0.000 1.315 315 I HN -0.157 nan 8.210 nan 0.000 0.451 316 Y N 4.199 124.501 120.300 0.003 0.000 2.598 316 Y HA 0.844 5.394 4.550 0.000 0.000 0.340 316 Y C 0.129 176.050 175.900 0.035 0.000 1.038 316 Y CA -1.115 57.007 58.100 0.037 0.000 1.100 316 Y CB 1.981 40.462 38.460 0.036 0.000 1.281 316 Y HN 0.550 nan 8.280 nan 0.000 0.488 317 A N 1.418 124.391 122.820 0.256 0.000 2.547 317 A HA 0.851 5.171 4.320 0.000 0.000 0.297 317 A C -1.516 176.176 177.584 0.180 0.000 1.056 317 A CA -0.522 51.609 52.037 0.157 0.000 0.688 317 A CB 1.033 20.104 19.000 0.117 0.000 1.282 317 A HN 0.751 nan 8.150 nan 0.000 0.400 318 I N -1.365 119.238 120.570 0.055 0.000 3.354 318 I HA 0.998 5.168 4.170 0.000 0.000 0.316 318 I C 0.587 176.698 176.117 -0.009 0.000 1.182 318 I CA -0.005 61.271 61.300 -0.040 0.000 0.942 318 I CB 1.367 39.182 38.000 -0.308 0.000 1.299 318 I HN 2.273 nan 8.210 nan 0.000 0.473 319 G N 1.274 110.062 108.800 -0.021 0.000 2.593 319 G HA2 -0.226 3.734 3.960 0.000 0.000 0.237 319 G HA3 -0.226 3.734 3.960 0.000 0.000 0.237 319 G C 0.129 175.043 174.900 0.023 0.000 1.312 319 G CA 0.528 45.626 45.100 -0.003 0.000 0.896 319 G HN 0.884 nan 8.290 nan 0.000 0.574 320 D N 0.144 120.557 120.400 0.022 0.000 2.311 320 D HA -0.064 4.576 4.640 0.000 0.000 0.212 320 D C 2.620 178.946 176.300 0.042 0.000 0.972 320 D CA 1.822 55.840 54.000 0.029 0.000 0.887 320 D CB -0.241 40.581 40.800 0.038 0.000 0.915 320 D HN 0.983 nan 8.370 nan 0.000 0.497 321 V N -1.825 118.119 119.914 0.051 0.000 3.461 321 V HA 0.060 4.180 4.120 0.000 0.000 0.267 321 V C 1.037 177.159 176.094 0.047 0.000 1.186 321 V CA 0.201 62.533 62.300 0.052 0.000 1.154 321 V CB -0.800 31.055 31.823 0.053 0.000 0.802 321 V HN -0.007 nan 8.190 nan 0.000 0.474 322 V N -2.529 117.419 119.914 0.057 0.000 3.177 322 V HA 0.976 5.096 4.120 0.000 0.000 0.319 322 V C 0.596 176.702 176.094 0.020 0.000 1.125 322 V CA -0.814 61.525 62.300 0.066 0.000 1.029 322 V CB 0.994 32.909 31.823 0.152 0.000 1.119 322 V HN 0.502 nan 8.190 nan 0.000 0.452 323 A N 0.269 123.083 122.820 -0.010 0.000 2.409 323 A HA 0.693 5.013 4.320 0.000 0.000 0.246 323 A C 0.924 178.364 177.584 -0.241 0.000 1.099 323 A CA 0.640 52.619 52.037 -0.096 0.000 0.789 323 A CB -0.703 18.238 19.000 -0.099 0.000 1.053 323 A HN 3.003 nan 8.150 nan 0.000 0.503 324 G N -0.517 108.077 108.800 -0.343 0.000 2.619 324 G HA2 0.121 4.081 3.960 0.000 0.000 0.686 324 G HA3 0.121 4.081 3.960 0.000 0.000 0.686 324 G C -2.801 171.950 174.900 -0.249 0.000 1.256 324 G CA -0.421 44.331 45.100 -0.581 0.000 0.826 324 G HN 1.013 nan 8.290 nan 0.000 0.619 325 P HA 0.174 nan 4.420 nan 0.000 0.262 325 P C 0.252 177.516 177.300 -0.061 0.000 1.182 325 P CA 0.280 63.345 63.100 -0.059 0.000 0.761 325 P CB 0.297 31.988 31.700 -0.016 0.000 0.795 326 M N 4.362 123.942 119.600 -0.033 0.000 3.011 326 M HA 0.215 4.695 4.480 0.000 0.000 0.292 326 M C -0.092 176.185 176.300 -0.037 0.000 1.440 326 M CA 0.441 55.727 55.300 -0.024 0.000 1.552 326 M CB -0.597 32.007 32.600 0.006 0.000 1.187 326 M HN 0.229 nan 8.290 nan 0.000 0.520 327 L N -0.303 120.861 121.223 -0.098 0.000 2.371 327 L HA 0.642 4.982 4.340 0.000 0.000 0.262 327 L C 1.048 177.817 176.870 -0.170 0.000 1.006 327 L CA -0.674 54.070 54.840 -0.161 0.000 0.818 327 L CB 1.801 43.654 42.059 -0.344 0.000 1.354 327 L HN 0.527 nan 8.230 nan 0.000 0.415 328 A N 0.441 123.225 122.820 -0.059 0.000 1.865 328 A HA -0.205 4.115 4.320 0.000 0.000 0.217 328 A C 1.974 179.574 177.584 0.027 0.000 1.191 328 A CA 1.957 54.011 52.037 0.028 0.000 0.623 328 A CB -0.901 18.167 19.000 0.114 0.000 0.826 328 A HN 0.944 nan 8.150 nan 0.000 0.444 329 H N -0.890 118.192 119.070 0.019 0.000 2.457 329 H HA -0.029 4.527 4.556 0.000 0.000 0.294 329 H C 1.690 177.029 175.328 0.017 0.000 1.064 329 H CA 1.383 57.438 56.048 0.011 0.000 1.330 329 H CB -0.404 29.363 29.762 0.009 0.000 1.395 329 H HN 0.459 nan 8.280 nan 0.000 0.541 330 K N 1.819 122.071 120.400 -0.248 0.000 2.062 330 K HA 0.012 4.332 4.320 0.000 0.000 0.205 330 K C 2.249 178.836 176.600 -0.022 0.000 1.051 330 K CA 1.123 57.361 56.287 -0.082 0.000 0.941 330 K CB -0.244 32.199 32.500 -0.095 0.000 0.719 330 K HN 0.299 nan 8.250 nan 0.000 0.440 331 A N 1.628 124.416 122.820 -0.053 0.000 1.873 331 A HA -0.144 4.176 4.320 0.000 0.000 0.215 331 A C 1.964 179.499 177.584 -0.082 0.000 1.186 331 A CA 1.538 53.544 52.037 -0.053 0.000 0.616 331 A CB -0.411 18.568 19.000 -0.035 0.000 0.823 331 A HN 0.503 nan 8.150 nan 0.000 0.442 332 E N -0.161 120.000 120.200 -0.064 0.000 2.077 332 E HA -0.208 4.142 4.350 0.000 0.000 0.193 332 E C 1.522 178.062 176.600 -0.099 0.000 0.989 332 E CA 1.318 57.658 56.400 -0.099 0.000 0.800 332 E CB -0.284 29.372 29.700 -0.073 0.000 0.746 332 E HN 0.571 nan 8.360 nan 0.000 0.452 333 D N 0.737 121.105 120.400 -0.054 0.000 2.144 333 D HA -0.128 4.512 4.640 0.000 0.000 0.199 333 D C 1.690 177.925 176.300 -0.109 0.000 0.984 333 D CA 0.963 54.934 54.000 -0.047 0.000 0.834 333 D CB -0.004 40.799 40.800 0.005 0.000 0.955 333 D HN 0.217 nan 8.370 nan 0.000 0.465 334 E N -0.154 119.942 120.200 -0.173 0.000 2.150 334 E HA -0.051 4.299 4.350 0.000 0.000 0.193 334 E C 2.196 178.496 176.600 -0.501 0.000 0.985 334 E CA 0.840 56.966 56.400 -0.457 0.000 0.814 334 E CB -0.134 29.239 29.700 -0.545 0.000 0.752 334 E HN 0.298 nan 8.360 nan 0.000 0.466 335 G N 1.660 110.276 108.800 -0.307 0.000 2.433 335 G HA2 -0.240 3.720 3.960 0.000 0.000 0.216 335 G HA3 -0.240 3.720 3.960 0.000 0.000 0.216 335 G C 1.621 176.393 174.900 -0.214 0.000 1.186 335 G CA 0.591 45.537 45.100 -0.256 0.000 0.779 335 G HN 0.094 nan 8.290 nan 0.000 0.543 336 I N 1.672 122.143 120.570 -0.165 0.000 2.163 336 I HA -0.173 3.997 4.170 0.000 0.000 0.243 336 I C 2.769 178.833 176.117 -0.088 0.000 1.085 336 I CA 1.422 62.656 61.300 -0.110 0.000 1.347 336 I CB -0.277 37.675 38.000 -0.079 0.000 1.044 336 I HN 0.349 nan 8.210 nan 0.000 0.408 337 I N -1.519 118.999 120.570 -0.087 0.000 2.546 337 I HA -0.240 3.930 4.170 0.000 0.000 0.255 337 I C 2.750 178.857 176.117 -0.018 0.000 1.163 337 I CA 1.205 62.491 61.300 -0.023 0.000 1.457 337 I CB -0.811 37.219 38.000 0.049 0.000 1.092 337 I HN 0.345 nan 8.210 nan 0.000 0.434 338 C N 1.206 120.431 119.300 -0.126 0.000 2.429 338 C HA -0.060 4.400 4.460 0.000 0.000 0.277 338 C C 2.797 177.685 174.990 -0.171 0.000 1.262 338 C CA 1.064 60.018 59.018 -0.108 0.000 1.733 338 C CB -0.870 26.702 27.740 -0.281 0.000 2.010 338 C HN 0.495 nan 8.230 nan 0.000 0.483 339 V N 0.663 120.473 119.914 -0.173 0.000 2.548 339 V HA -0.138 3.982 4.120 0.000 0.000 0.249 339 V C 2.417 178.516 176.094 0.009 0.000 1.055 339 V CA 2.169 64.387 62.300 -0.137 0.000 1.065 339 V CB -0.702 31.055 31.823 -0.109 0.000 0.681 339 V HN 0.603 nan 8.190 nan 0.000 0.462 340 E N 0.194 120.397 120.200 0.005 0.000 2.150 340 E HA -0.113 4.237 4.350 0.000 0.000 0.193 340 E C 2.305 178.935 176.600 0.050 0.000 0.985 340 E CA 1.051 57.474 56.400 0.039 0.000 0.814 340 E CB -0.376 29.335 29.700 0.019 0.000 0.752 340 E HN 0.646 nan 8.360 nan 0.000 0.466 341 G N 1.056 109.876 108.800 0.034 0.000 2.402 341 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 341 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 341 G C 1.545 176.489 174.900 0.074 0.000 1.162 341 G CA 0.524 45.657 45.100 0.056 0.000 0.777 341 G HN 0.101 nan 8.290 nan 0.000 0.539 342 M N 0.856 120.470 119.600 0.023 0.000 2.202 342 M HA -0.006 4.474 4.480 0.000 0.000 0.262 342 M C 2.648 179.100 176.300 0.254 0.000 1.063 342 M CA 1.270 56.592 55.300 0.038 0.000 1.097 342 M CB -0.072 32.376 32.600 -0.254 0.000 1.382 342 M HN 0.298 nan 8.290 nan 0.000 0.413 343 A N -0.460 122.515 122.820 0.259 0.000 2.278 343 A HA 0.419 4.739 4.320 0.000 0.000 0.212 343 A C 1.678 179.310 177.584 0.081 0.000 1.213 343 A CA 0.751 52.893 52.037 0.175 0.000 0.840 343 A CB -0.642 18.407 19.000 0.082 0.000 0.866 343 A HN 0.652 nan 8.150 nan 0.000 0.489 344 G N -1.838 107.014 108.800 0.087 0.000 2.213 344 G HA2 -0.086 3.874 3.960 0.000 0.000 0.236 344 G HA3 -0.086 3.874 3.960 0.000 0.000 0.236 344 G C 0.832 175.754 174.900 0.038 0.000 0.991 344 G CA 0.227 45.361 45.100 0.056 0.000 0.629 344 G HN 1.385 nan 8.290 nan 0.000 0.517 345 G N 0.294 109.115 108.800 0.034 0.000 2.616 345 G HA2 0.705 4.665 3.960 0.000 0.000 0.268 345 G HA3 0.705 4.665 3.960 0.000 0.000 0.268 345 G C 0.716 175.621 174.900 0.009 0.000 1.213 345 G CA 0.504 45.618 45.100 0.023 0.000 0.926 345 G HN 1.543 nan 8.290 nan 0.000 0.523 346 A N -1.305 121.518 122.820 0.006 0.000 2.466 346 A HA 0.468 4.788 4.320 0.000 0.000 0.238 346 A C -0.159 177.361 177.584 -0.107 0.000 1.074 346 A CA 0.040 52.045 52.037 -0.053 0.000 0.774 346 A CB 0.488 19.518 19.000 0.050 0.000 1.015 346 A HN 1.006 nan 8.150 nan 0.000 0.498 347 V N 4.557 124.287 119.914 -0.306 0.000 2.419 347 V HA 0.401 4.521 4.120 0.000 0.000 0.287 347 V C -0.832 175.018 176.094 -0.406 0.000 1.017 347 V CA -0.410 61.778 62.300 -0.186 0.000 0.844 347 V CB 0.896 32.702 31.823 -0.028 0.000 1.011 347 V HN 0.939 nan 8.190 nan 0.000 0.429 348 H N 4.760 123.861 119.070 0.052 0.000 2.771 348 H HA 0.701 5.257 4.556 0.000 0.000 0.361 348 H C -0.986 174.331 175.328 -0.018 0.000 1.108 348 H CA -0.540 55.510 56.048 0.004 0.000 1.201 348 H CB 3.071 32.823 29.762 -0.017 0.000 1.681 348 H HN 0.621 nan 8.280 nan 0.000 0.534 349 I N 2.159 122.756 120.570 0.046 0.000 2.743 349 I HA 0.112 4.282 4.170 0.000 0.000 0.292 349 I C -1.599 174.335 176.117 -0.304 0.000 1.343 349 I CA -0.516 60.704 61.300 -0.134 0.000 1.038 349 I CB 2.511 40.401 38.000 -0.183 0.000 1.311 349 I HN 0.537 nan 8.210 nan 0.000 0.426 350 D N 5.362 125.598 120.400 -0.274 0.000 2.462 350 D HA 0.297 4.937 4.640 0.000 0.000 0.245 350 D C -0.136 176.047 176.300 -0.195 0.000 1.122 350 D CA -0.223 53.648 54.000 -0.215 0.000 0.864 350 D CB 0.787 41.541 40.800 -0.076 0.000 1.098 350 D HN 0.384 nan 8.370 nan 0.000 0.541 351 Y N 2.345 122.684 120.300 0.065 0.000 2.651 351 Y HA -0.073 4.477 4.550 0.000 0.000 0.293 351 Y C 2.034 177.971 175.900 0.061 0.000 1.151 351 Y CA 0.646 58.783 58.100 0.061 0.000 1.362 351 Y CB -0.604 37.891 38.460 0.059 0.000 0.973 351 Y HN 0.459 nan 8.280 nan 0.000 0.561 352 N N -0.686 118.105 118.700 0.151 0.000 2.409 352 N HA -0.102 4.638 4.740 0.000 0.000 0.179 352 N C 0.803 176.371 175.510 0.095 0.000 1.032 352 N CA 1.094 54.218 53.050 0.123 0.000 0.898 352 N CB -0.240 38.301 38.487 0.090 0.000 0.971 352 N HN 0.205 nan 8.380 nan 0.000 0.441 353 C N 0.220 119.560 119.300 0.067 0.000 2.693 353 C HA 0.406 4.866 4.460 0.000 0.000 0.286 353 C C 0.281 175.308 174.990 0.061 0.000 1.277 353 C CA -0.748 58.301 59.018 0.051 0.000 1.705 353 C CB -1.083 26.674 27.740 0.029 0.000 1.879 353 C HN 0.067 nan 8.230 nan 0.000 0.607 354 V N 5.125 125.095 119.914 0.093 0.000 2.339 354 V HA 0.196 4.316 4.120 0.000 0.000 0.261 354 V C -1.551 174.597 176.094 0.091 0.000 1.058 354 V CA -0.960 61.416 62.300 0.128 0.000 0.897 354 V CB 0.317 32.236 31.823 0.160 0.000 1.052 354 V HN 0.348 nan 8.190 nan 0.000 0.480 355 P HA 0.190 nan 4.420 nan 0.000 0.271 355 P C -0.387 176.838 177.300 -0.125 0.000 1.233 355 P CA -0.138 62.909 63.100 -0.088 0.000 0.789 355 P CB 0.939 32.552 31.700 -0.144 0.000 0.951 356 S N -0.240 115.149 115.700 -0.519 0.000 2.521 356 S HA 0.547 5.017 4.470 0.000 0.000 0.295 356 S C -0.599 173.531 174.600 -0.783 0.000 1.098 356 S CA -0.572 57.188 58.200 -0.734 0.000 0.999 356 S CB 1.371 63.701 63.200 -1.450 0.000 1.034 356 S HN 0.255 nan 8.310 nan 0.000 0.483 357 V N 3.638 123.249 119.914 -0.504 0.000 2.760 357 V HA 0.535 4.655 4.120 0.000 0.000 0.309 357 V C -0.972 174.908 176.094 -0.357 0.000 1.077 357 V CA -0.615 61.378 62.300 -0.513 0.000 0.910 357 V CB 1.872 33.290 31.823 -0.675 0.000 1.008 357 V HN 0.818 nan 8.190 nan 0.000 0.424 358 I N 4.201 124.577 120.570 -0.325 0.000 2.354 358 I HA 0.327 4.497 4.170 0.000 0.000 0.286 358 I C -0.444 175.588 176.117 -0.142 0.000 1.007 358 I CA -0.464 60.783 61.300 -0.088 0.000 1.167 358 I CB 1.309 39.276 38.000 -0.054 0.000 1.320 358 I HN 0.628 nan 8.210 nan 0.000 0.458 359 Y N 3.880 124.193 120.300 0.021 0.000 2.471 359 Y HA -0.007 4.543 4.550 0.000 0.000 0.321 359 Y C 1.898 177.830 175.900 0.054 0.000 1.195 359 Y CA -0.426 57.682 58.100 0.014 0.000 1.272 359 Y CB -0.848 37.617 38.460 0.008 0.000 1.097 359 Y HN 0.580 nan 8.280 nan 0.000 0.507 360 T N -2.686 111.996 114.554 0.214 0.000 2.773 360 T HA 0.065 4.415 4.350 0.000 0.000 0.337 360 T C -0.401 174.398 174.700 0.166 0.000 1.086 360 T CA -0.340 61.914 62.100 0.256 0.000 0.998 360 T CB 0.585 69.704 68.868 0.420 0.000 1.281 360 T HN 0.418 nan 8.240 nan 0.000 0.525 361 H N 1.012 120.147 119.070 0.110 0.000 3.013 361 H HA 0.435 4.991 4.556 0.000 0.000 0.326 361 H C -2.665 172.740 175.328 0.128 0.000 0.973 361 H CA -1.817 54.231 56.048 0.000 0.000 1.369 361 H CB 1.374 31.003 29.762 -0.221 0.000 1.598 361 H HN 0.532 nan 8.280 nan 0.000 0.518 362 P HA 0.006 nan 4.420 nan 0.000 0.269 362 P C -0.432 176.838 177.300 -0.049 0.000 1.215 362 P CA -0.058 62.964 63.100 -0.132 0.000 0.780 362 P CB 1.560 33.280 31.700 0.034 0.000 0.898 363 E N -0.072 120.012 120.200 -0.193 0.000 2.342 363 E HA 0.380 4.730 4.350 0.000 0.000 0.257 363 E C -0.594 175.912 176.600 -0.157 0.000 1.150 363 E CA -0.853 55.447 56.400 -0.165 0.000 0.926 363 E CB 0.838 30.397 29.700 -0.235 0.000 1.074 363 E HN 0.195 nan 8.360 nan 0.000 0.449 364 V N 0.591 120.375 119.914 -0.217 0.000 2.577 364 V HA 0.702 4.822 4.120 0.000 0.000 0.303 364 V C -0.776 175.271 176.094 -0.079 0.000 1.042 364 V CA -0.753 61.450 62.300 -0.162 0.000 0.872 364 V CB 1.470 33.082 31.823 -0.352 0.000 0.998 364 V HN 0.748 nan 8.190 nan 0.000 0.423 365 A N 4.386 127.245 122.820 0.064 0.000 2.520 365 A HA 1.001 5.321 4.320 0.000 0.000 0.298 365 A C -1.584 176.121 177.584 0.201 0.000 1.051 365 A CA -0.618 51.396 52.037 -0.039 0.000 0.690 365 A CB 1.641 20.537 19.000 -0.174 0.000 1.281 365 A HN 1.565 nan 8.150 nan 0.000 0.402 366 W N 0.340 121.582 121.300 -0.097 0.000 3.074 366 W HA 0.771 5.431 4.660 0.000 0.000 0.332 366 W C -1.884 174.565 176.519 -0.116 0.000 1.253 366 W CA -1.152 56.104 57.345 -0.148 0.000 1.180 366 W CB 1.150 30.558 29.460 -0.087 0.000 1.445 366 W HN 1.022 nan 8.180 nan 0.000 0.573 367 V N 2.348 122.297 119.914 0.057 0.000 3.120 367 V HA 0.832 4.952 4.120 0.000 0.000 0.303 367 V C 0.276 176.404 176.094 0.057 0.000 1.238 367 V CA 0.382 62.705 62.300 0.038 0.000 1.008 367 V CB 1.362 33.176 31.823 -0.015 0.000 1.064 367 V HN 2.221 nan 8.190 nan 0.000 0.434 368 G N 4.947 113.806 108.800 0.098 0.000 2.542 368 G HA2 -0.096 3.864 3.960 0.000 0.000 0.235 368 G HA3 -0.096 3.864 3.960 0.000 0.000 0.235 368 G C -0.729 174.254 174.900 0.138 0.000 1.286 368 G CA 0.095 45.249 45.100 0.090 0.000 0.904 368 G HN 0.958 nan 8.290 nan 0.000 0.577 369 K N 0.462 120.930 120.400 0.114 0.000 2.106 369 K HA 0.668 4.988 4.320 0.000 0.000 0.246 369 K C 0.657 177.368 176.600 0.185 0.000 0.987 369 K CA 0.109 56.466 56.287 0.115 0.000 0.904 369 K CB 1.570 34.086 32.500 0.026 0.000 1.071 369 K HN 1.115 nan 8.250 nan 0.000 0.453 370 S N -0.550 115.169 115.700 0.031 0.000 2.713 370 S HA 0.222 4.692 4.470 0.000 0.000 0.283 370 S C 0.958 175.402 174.600 -0.259 0.000 1.161 370 S CA -0.727 57.352 58.200 -0.201 0.000 0.999 370 S CB 1.564 64.598 63.200 -0.277 0.000 1.039 370 S HN 0.553 nan 8.310 nan 0.000 0.548 371 E N 0.751 120.740 120.200 -0.351 0.000 2.058 371 E HA -0.208 4.142 4.350 0.000 0.000 0.194 371 E C 1.664 178.162 176.600 -0.170 0.000 0.997 371 E CA 1.738 57.955 56.400 -0.306 0.000 0.801 371 E CB -0.215 29.375 29.700 -0.183 0.000 0.746 371 E HN 0.721 nan 8.360 nan 0.000 0.450 372 E N 0.856 120.964 120.200 -0.154 0.000 2.085 372 E HA -0.209 4.141 4.350 0.000 0.000 0.194 372 E C 2.027 178.587 176.600 -0.066 0.000 0.994 372 E CA 1.194 57.536 56.400 -0.097 0.000 0.801 372 E CB -0.173 29.451 29.700 -0.126 0.000 0.743 372 E HN 0.308 nan 8.360 nan 0.000 0.453 373 Q N -0.107 119.645 119.800 -0.080 0.000 2.119 373 Q HA -0.071 4.270 4.340 0.000 0.000 0.201 373 Q C 2.259 178.244 176.000 -0.025 0.000 0.972 373 Q CA 0.948 56.728 55.803 -0.038 0.000 0.847 373 Q CB -0.141 28.584 28.738 -0.021 0.000 0.903 373 Q HN 0.302 nan 8.270 nan 0.000 0.433 374 L N 0.599 121.783 121.223 -0.065 0.000 2.056 374 L HA -0.189 4.151 4.340 0.000 0.000 0.207 374 L C 2.302 179.221 176.870 0.082 0.000 1.078 374 L CA 1.231 56.057 54.840 -0.023 0.000 0.749 374 L CB -0.387 41.556 42.059 -0.194 0.000 0.901 374 L HN 0.149 nan 8.230 nan 0.000 0.433 375 K N 0.642 121.100 120.400 0.097 0.000 2.026 375 K HA -0.216 4.104 4.320 0.000 0.000 0.208 375 K C 1.824 178.457 176.600 0.054 0.000 1.048 375 K CA 1.922 58.273 56.287 0.108 0.000 0.929 375 K CB -0.179 32.373 32.500 0.087 0.000 0.713 375 K HN 0.464 nan 8.250 nan 0.000 0.439 376 E N 0.756 120.973 120.200 0.028 0.000 2.516 376 E HA -0.120 4.230 4.350 0.000 0.000 0.199 376 E C 0.958 177.573 176.600 0.025 0.000 1.069 376 E CA 0.915 57.327 56.400 0.020 0.000 0.876 376 E CB 0.127 29.831 29.700 0.008 0.000 0.843 376 E HN 0.329 nan 8.360 nan 0.000 0.530 377 E N -0.321 119.899 120.200 0.034 0.000 2.473 377 E HA 0.142 4.492 4.350 0.000 0.000 0.204 377 E C 0.964 177.590 176.600 0.043 0.000 0.994 377 E CA 0.188 56.609 56.400 0.035 0.000 0.945 377 E CB 0.755 30.476 29.700 0.035 0.000 0.990 377 E HN 0.426 nan 8.360 nan 0.000 0.493 378 G N 1.786 110.618 108.800 0.054 0.000 2.179 378 G HA2 -0.245 3.715 3.960 0.000 0.000 0.260 378 G HA3 -0.245 3.715 3.960 0.000 0.000 0.260 378 G C 0.347 175.289 174.900 0.070 0.000 0.977 378 G CA -0.021 45.111 45.100 0.052 0.000 0.641 378 G HN 0.159 nan 8.290 nan 0.000 0.533 379 I N 1.564 122.194 120.570 0.100 0.000 2.683 379 I HA 0.149 4.319 4.170 0.000 0.000 0.286 379 I C 0.862 177.092 176.117 0.189 0.000 1.175 379 I CA 0.066 61.442 61.300 0.127 0.000 1.429 379 I CB 0.244 38.320 38.000 0.126 0.000 1.371 379 I HN 0.237 nan 8.210 nan 0.000 0.569 380 E N 6.607 126.876 120.200 0.115 0.000 2.259 380 E HA 0.400 4.750 4.350 0.000 0.000 0.281 380 E C -1.203 175.471 176.600 0.123 0.000 1.027 380 E CA -0.277 56.148 56.400 0.042 0.000 0.838 380 E CB 1.375 31.072 29.700 -0.005 0.000 1.066 380 E HN 0.510 nan 8.360 nan 0.000 0.401 381 Y N 0.064 120.364 120.300 0.001 0.000 2.625 381 Y HA 0.478 5.028 4.550 0.000 0.000 0.338 381 Y C -0.939 174.961 175.900 0.000 0.000 1.123 381 Y CA -1.456 56.647 58.100 0.004 0.000 1.046 381 Y CB 0.971 39.438 38.460 0.011 0.000 1.299 381 Y HN 0.295 nan 8.280 nan 0.000 0.464 382 K N 0.955 121.484 120.400 0.215 0.000 2.258 382 K HA 0.896 5.216 4.320 0.000 0.000 0.236 382 K C -1.670 175.064 176.600 0.223 0.000 1.008 382 K CA -1.072 55.289 56.287 0.122 0.000 0.869 382 K CB 2.476 35.010 32.500 0.057 0.000 1.171 382 K HN 0.553 nan 8.250 nan 0.000 0.447 383 V N 0.171 120.169 119.914 0.140 0.000 2.638 383 V HA 0.539 4.659 4.120 0.000 0.000 0.306 383 V C -0.302 175.841 176.094 0.082 0.000 1.052 383 V CA -0.793 61.586 62.300 0.132 0.000 0.885 383 V CB 1.842 33.752 31.823 0.145 0.000 0.999 383 V HN 0.995 nan 8.190 nan 0.000 0.424 384 G N 3.006 111.848 108.800 0.070 0.000 2.461 384 G HA2 0.750 4.710 3.960 0.000 0.000 0.323 384 G HA3 0.750 4.710 3.960 0.000 0.000 0.323 384 G C -1.087 173.854 174.900 0.067 0.000 1.229 384 G CA -0.650 44.488 45.100 0.064 0.000 0.941 384 G HN 0.600 nan 8.290 nan 0.000 0.477 385 K N 0.721 121.177 120.400 0.094 0.000 2.422 385 K HA 0.557 4.878 4.320 0.000 0.000 0.251 385 K C -2.017 174.655 176.600 0.120 0.000 0.933 385 K CA -0.712 55.620 56.287 0.075 0.000 0.798 385 K CB 2.835 35.365 32.500 0.051 0.000 1.238 385 K HN 0.394 nan 8.250 nan 0.000 0.428 386 F N 4.504 124.367 119.950 -0.145 0.000 2.585 386 F HA 0.358 4.885 4.527 0.000 0.000 0.319 386 F C -2.590 172.961 175.800 -0.414 0.000 1.165 386 F CA -1.877 55.976 58.000 -0.245 0.000 0.949 386 F CB 1.854 40.736 39.000 -0.197 0.000 1.218 386 F HN 0.306 nan 8.300 nan 0.000 0.453 387 P HA 0.184 nan 4.420 nan 0.000 0.288 387 P C 0.283 177.268 177.300 -0.524 0.000 1.267 387 P CA -0.151 62.517 63.100 -0.719 0.000 0.815 387 P CB 1.069 32.270 31.700 -0.831 0.000 0.989 388 F N 1.735 121.611 119.950 -0.123 0.000 2.546 388 F HA -0.049 4.478 4.527 0.000 0.000 0.298 388 F C 2.506 178.285 175.800 -0.034 0.000 1.120 388 F CA 1.316 59.315 58.000 -0.001 0.000 1.456 388 F CB -1.193 37.821 39.000 0.024 0.000 1.088 388 F HN 0.364 nan 8.300 nan 0.000 0.572 389 A N -0.340 122.494 122.820 0.023 0.000 2.067 389 A HA 0.104 4.424 4.320 0.000 0.000 0.219 389 A C 2.191 179.764 177.584 -0.018 0.000 1.158 389 A CA 1.434 53.469 52.037 -0.003 0.000 0.661 389 A CB -0.798 18.165 19.000 -0.062 0.000 0.801 389 A HN 0.232 nan 8.150 nan 0.000 0.452 390 A N -0.715 122.029 122.820 -0.127 0.000 2.348 390 A HA 0.191 4.511 4.320 0.000 0.000 0.224 390 A C 0.693 178.463 177.584 0.310 0.000 1.227 390 A CA -0.235 51.795 52.037 -0.011 0.000 0.885 390 A CB -0.231 18.584 19.000 -0.308 0.000 0.933 390 A HN 0.460 nan 8.150 nan 0.000 0.506 391 N N 0.285 119.201 118.700 0.359 0.000 2.434 391 N HA 0.152 4.892 4.740 0.000 0.000 0.272 391 N C 0.475 176.132 175.510 0.245 0.000 1.040 391 N CA 0.162 53.451 53.050 0.399 0.000 0.956 391 N CB 1.303 40.079 38.487 0.482 0.000 1.108 391 N HN 0.059 nan 8.380 nan 0.000 0.481 392 S N 3.622 119.445 115.700 0.204 0.000 2.359 392 S HA -0.164 4.306 4.470 0.000 0.000 0.224 392 S C 1.725 176.356 174.600 0.052 0.000 1.035 392 S CA 1.054 59.330 58.200 0.127 0.000 1.018 392 S CB -0.153 63.136 63.200 0.147 0.000 0.876 392 S HN 0.702 nan 8.310 nan 0.000 0.448 393 R N 1.197 121.704 120.500 0.012 0.000 2.105 393 R HA -0.081 4.259 4.340 0.000 0.000 0.239 393 R C 2.249 178.565 176.300 0.027 0.000 1.135 393 R CA 1.335 57.431 56.100 -0.007 0.000 0.967 393 R CB -0.431 29.859 30.300 -0.017 0.000 0.861 393 R HN 0.385 nan 8.270 nan 0.000 0.442 394 A N 0.519 123.380 122.820 0.069 0.000 1.969 394 A HA -0.140 4.180 4.320 0.000 0.000 0.218 394 A C 2.002 179.624 177.584 0.063 0.000 1.169 394 A CA 1.468 53.537 52.037 0.052 0.000 0.635 394 A CB -0.284 18.781 19.000 0.108 0.000 0.810 394 A HN 0.211 nan 8.150 nan 0.000 0.445 395 K N -0.322 120.127 120.400 0.081 0.000 2.031 395 K HA -0.032 4.288 4.320 0.000 0.000 0.205 395 K C 1.978 178.608 176.600 0.051 0.000 1.049 395 K CA 2.075 58.404 56.287 0.071 0.000 0.939 395 K CB -0.886 31.665 32.500 0.084 0.000 0.717 395 K HN 0.380 nan 8.250 nan 0.000 0.438 396 T N 1.109 115.688 114.554 0.042 0.000 2.759 396 T HA -0.103 4.247 4.350 0.000 0.000 0.269 396 T C 1.324 176.037 174.700 0.022 0.000 1.042 396 T CA 1.698 63.815 62.100 0.027 0.000 1.140 396 T CB -0.371 68.505 68.868 0.014 0.000 0.864 396 T HN 0.232 nan 8.240 nan 0.000 0.455 397 N N 0.858 119.573 118.700 0.025 0.000 2.494 397 N HA 0.260 5.000 4.740 0.000 0.000 0.182 397 N C 0.957 176.491 175.510 0.040 0.000 1.076 397 N CA 0.667 53.734 53.050 0.029 0.000 0.908 397 N CB -0.282 38.223 38.487 0.029 0.000 0.967 397 N HN 0.455 nan 8.380 nan 0.000 0.449 398 A N 0.543 123.388 122.820 0.041 0.000 2.739 398 A HA -0.196 4.124 4.320 0.000 0.000 0.296 398 A C -0.114 177.506 177.584 0.060 0.000 1.488 398 A CA 1.029 53.093 52.037 0.046 0.000 0.746 398 A CB -1.936 17.086 19.000 0.036 0.000 1.047 398 A HN 0.312 nan 8.150 nan 0.000 0.477 399 D N -0.220 120.216 120.400 0.061 0.000 2.621 399 D HA 0.368 5.008 4.640 0.000 0.000 0.274 399 D C 0.941 177.262 176.300 0.036 0.000 1.215 399 D CA 0.532 54.578 54.000 0.077 0.000 0.810 399 D CB 0.048 40.911 40.800 0.105 0.000 1.248 399 D HN 0.556 nan 8.370 nan 0.000 0.517 400 T N -1.524 113.069 114.554 0.065 0.000 3.163 400 T HA 0.171 4.521 4.350 0.000 0.000 0.252 400 T C 0.518 175.294 174.700 0.126 0.000 1.056 400 T CA -0.523 61.633 62.100 0.094 0.000 0.947 400 T CB 0.037 68.960 68.868 0.090 0.000 1.016 400 T HN -0.032 nan 8.240 nan 0.000 0.554 401 D N 2.183 122.643 120.400 0.100 0.000 2.458 401 D HA 0.472 5.112 4.640 0.000 0.000 0.243 401 D C 1.121 177.550 176.300 0.214 0.000 1.146 401 D CA 1.705 55.781 54.000 0.127 0.000 0.877 401 D CB 0.355 41.224 40.800 0.115 0.000 1.176 401 D HN 0.654 nan 8.370 nan 0.000 0.461 402 G N 1.362 110.291 108.800 0.215 0.000 2.627 402 G HA2 0.083 4.043 3.960 0.000 0.000 0.214 402 G HA3 0.083 4.043 3.960 0.000 0.000 0.214 402 G C -0.455 174.560 174.900 0.191 0.000 1.331 402 G CA -0.066 45.195 45.100 0.268 0.000 0.891 402 G HN 0.793 nan 8.290 nan 0.000 0.539 403 M N -3.034 116.604 119.600 0.064 0.000 2.880 403 M HA 0.784 5.265 4.480 0.000 0.000 0.269 403 M C -1.182 174.972 176.300 -0.243 0.000 1.248 403 M CA -1.200 53.935 55.300 -0.276 0.000 0.821 403 M CB 1.866 34.360 32.600 -0.178 0.000 1.650 403 M HN 0.989 nan 8.290 nan 0.000 0.479 404 V N 1.506 121.257 119.914 -0.273 0.000 2.459 404 V HA 0.626 4.746 4.120 0.000 0.000 0.295 404 V C -0.808 175.289 176.094 0.004 0.000 1.029 404 V CA -0.456 61.802 62.300 -0.070 0.000 0.874 404 V CB 1.756 33.552 31.823 -0.046 0.000 0.985 404 V HN 0.795 nan 8.190 nan 0.000 0.438 405 K N 5.384 125.829 120.400 0.074 0.000 2.502 405 K HA 0.556 4.876 4.320 0.000 0.000 0.254 405 K C -1.502 175.172 176.600 0.124 0.000 0.947 405 K CA -0.610 55.728 56.287 0.084 0.000 0.834 405 K CB 1.188 33.735 32.500 0.079 0.000 1.112 405 K HN 0.482 nan 8.250 nan 0.000 0.427 406 I N 5.872 126.483 120.570 0.068 0.000 2.359 406 I HA 0.307 4.477 4.170 0.000 0.000 0.294 406 I C -0.275 175.881 176.117 0.066 0.000 0.987 406 I CA -0.870 60.459 61.300 0.049 0.000 1.225 406 I CB 1.354 39.324 38.000 -0.049 0.000 1.366 406 I HN 0.607 nan 8.210 nan 0.000 0.466 407 L N 5.832 127.095 121.223 0.066 0.000 2.294 407 L HA 0.639 4.979 4.340 0.000 0.000 0.283 407 L C 0.491 177.391 176.870 0.050 0.000 1.015 407 L CA -0.393 54.470 54.840 0.039 0.000 0.831 407 L CB 1.623 43.636 42.059 -0.077 0.000 1.217 407 L HN 0.675 nan 8.230 nan 0.000 0.420 408 G N 1.513 110.369 108.800 0.094 0.000 2.453 408 G HA2 0.356 4.316 3.960 0.000 0.000 0.323 408 G HA3 0.356 4.316 3.960 0.000 0.000 0.323 408 G C -1.157 173.815 174.900 0.121 0.000 1.198 408 G CA -0.391 44.759 45.100 0.083 0.000 0.959 408 G HN 0.380 nan 8.290 nan 0.000 0.482 409 Q N 0.518 120.373 119.800 0.092 0.000 2.313 409 Q HA 0.058 4.398 4.340 0.000 0.000 0.266 409 Q C 1.382 177.430 176.000 0.079 0.000 0.989 409 Q CA -0.255 55.608 55.803 0.099 0.000 0.890 409 Q CB 1.526 30.305 28.738 0.069 0.000 1.200 409 Q HN 0.651 nan 8.270 nan 0.000 0.396 410 K N 2.358 122.805 120.400 0.078 0.000 2.077 410 K HA -0.245 4.075 4.320 0.000 0.000 0.213 410 K C 1.591 178.205 176.600 0.023 0.000 1.051 410 K CA 2.698 59.007 56.287 0.036 0.000 0.929 410 K CB -0.032 32.473 32.500 0.009 0.000 0.715 410 K HN 0.650 nan 8.250 nan 0.000 0.451 411 S N -2.479 113.237 115.700 0.025 0.000 2.545 411 S HA -0.020 4.450 4.470 0.000 0.000 0.232 411 S C 1.906 176.519 174.600 0.023 0.000 1.070 411 S CA 0.434 58.645 58.200 0.019 0.000 0.923 411 S CB -0.361 62.847 63.200 0.013 0.000 0.806 411 S HN 0.436 nan 8.310 nan 0.000 0.506 412 T N -0.917 113.654 114.554 0.029 0.000 3.085 412 T HA 0.055 4.405 4.350 0.000 0.000 0.263 412 T C 0.803 175.523 174.700 0.033 0.000 1.127 412 T CA 1.153 63.270 62.100 0.029 0.000 1.103 412 T CB -0.715 68.172 68.868 0.030 0.000 0.921 412 T HN 0.352 nan 8.240 nan 0.000 0.510 413 D N 0.385 120.807 120.400 0.036 0.000 3.059 413 D HA -0.190 4.450 4.640 0.000 0.000 0.213 413 D C 0.019 176.342 176.300 0.039 0.000 1.144 413 D CA 0.687 54.709 54.000 0.037 0.000 0.975 413 D CB -1.356 39.464 40.800 0.033 0.000 1.125 413 D HN 0.575 nan 8.370 nan 0.000 0.412 414 R N -0.145 120.380 120.500 0.042 0.000 2.543 414 R HA 0.362 4.702 4.340 0.000 0.000 0.277 414 R C 0.077 176.404 176.300 0.046 0.000 1.074 414 R CA -0.478 55.648 56.100 0.044 0.000 1.076 414 R CB 1.002 31.328 30.300 0.043 0.000 0.993 414 R HN -0.044 nan 8.270 nan 0.000 0.459 415 V N 5.571 125.513 119.914 0.047 0.000 2.572 415 V HA -0.029 4.091 4.120 0.000 0.000 0.291 415 V C 1.367 177.491 176.094 0.050 0.000 1.039 415 V CA 0.525 62.854 62.300 0.047 0.000 1.055 415 V CB 0.831 32.689 31.823 0.058 0.000 0.969 415 V HN 0.723 nan 8.190 nan 0.000 0.482 416 L N 3.731 124.979 121.223 0.042 0.000 2.537 416 L HA 0.519 4.859 4.340 0.000 0.000 0.224 416 L C 0.970 177.863 176.870 0.038 0.000 1.065 416 L CA 0.630 55.490 54.840 0.034 0.000 0.860 416 L CB 0.417 42.483 42.059 0.013 0.000 1.086 416 L HN 0.795 nan 8.230 nan 0.000 0.482 417 G N -0.117 108.707 108.800 0.040 0.000 2.667 417 G HA2 0.666 4.626 3.960 0.000 0.000 0.294 417 G HA3 0.666 4.626 3.960 0.000 0.000 0.294 417 G C -2.043 172.838 174.900 -0.031 0.000 1.467 417 G CA 0.016 45.126 45.100 0.017 0.000 0.852 417 G HN -0.006 nan 8.290 nan 0.000 0.521 418 A N 1.495 124.178 122.820 -0.229 0.000 2.398 418 A HA 0.851 5.171 4.320 0.000 0.000 0.301 418 A C -1.135 176.194 177.584 -0.425 0.000 1.041 418 A CA -0.714 51.260 52.037 -0.106 0.000 0.711 418 A CB 1.267 20.360 19.000 0.154 0.000 1.240 418 A HN 0.763 nan 8.150 nan 0.000 0.420 419 H N 2.164 121.320 119.070 0.143 0.000 2.744 419 H HA 0.488 5.044 4.556 0.000 0.000 0.339 419 H C -1.394 174.006 175.328 0.119 0.000 1.004 419 H CA -0.291 55.836 56.048 0.133 0.000 1.257 419 H CB 1.685 31.452 29.762 0.008 0.000 1.552 419 H HN 0.540 nan 8.280 nan 0.000 0.522 420 I N 4.029 124.724 120.570 0.209 0.000 2.418 420 I HA 0.135 4.305 4.170 0.000 0.000 0.287 420 I C -0.719 175.500 176.117 0.170 0.000 1.008 420 I CA -0.672 60.740 61.300 0.187 0.000 1.104 420 I CB 2.007 40.112 38.000 0.175 0.000 1.264 420 I HN 0.204 nan 8.210 nan 0.000 0.438 421 L N 7.039 128.379 121.223 0.195 0.000 2.342 421 L HA 0.991 5.331 4.340 0.000 0.000 0.276 421 L C 0.006 177.056 176.870 0.300 0.000 0.997 421 L CA 0.400 55.337 54.840 0.161 0.000 0.838 421 L CB 0.813 42.946 42.059 0.122 0.000 1.224 421 L HN 0.817 nan 8.230 nan 0.000 0.416 422 G N 4.521 113.419 108.800 0.163 0.000 2.320 422 G HA2 0.107 4.067 3.960 0.000 0.000 0.274 422 G HA3 0.107 4.067 3.960 0.000 0.000 0.274 422 G C -3.337 171.373 174.900 -0.317 0.000 1.324 422 G CA -0.497 44.614 45.100 0.018 0.000 0.957 422 G HN 0.500 nan 8.290 nan 0.000 0.481 423 P HA 0.369 nan 4.420 nan 0.000 0.271 423 P C 1.037 178.062 177.300 -0.458 0.000 1.216 423 P CA 1.754 64.514 63.100 -0.568 0.000 0.776 423 P CB 0.986 32.372 31.700 -0.524 0.000 0.881 424 G N 2.507 111.138 108.800 -0.281 0.000 2.189 424 G HA2 -0.377 3.583 3.960 0.000 0.000 0.267 424 G HA3 -0.377 3.583 3.960 0.000 0.000 0.267 424 G C 1.155 175.978 174.900 -0.128 0.000 0.975 424 G CA 0.661 45.659 45.100 -0.169 0.000 0.644 424 G HN 0.708 nan 8.290 nan 0.000 0.537 425 A N 0.238 122.978 122.820 -0.134 0.000 1.884 425 A HA 0.139 4.459 4.320 0.000 0.000 0.219 425 A C 2.969 180.456 177.584 -0.161 0.000 1.197 425 A CA 2.623 54.608 52.037 -0.087 0.000 0.637 425 A CB -1.258 17.696 19.000 -0.077 0.000 0.827 425 A HN 1.729 nan 8.150 nan 0.000 0.450 426 G N -0.751 107.905 108.800 -0.241 0.000 2.469 426 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 426 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 426 G C 1.408 176.190 174.900 -0.196 0.000 1.150 426 G CA 1.223 46.136 45.100 -0.311 0.000 0.763 426 G HN 0.522 nan 8.290 nan 0.000 0.561 427 E N -0.340 119.780 120.200 -0.133 0.000 2.170 427 E HA 0.065 4.415 4.350 0.000 0.000 0.191 427 E C 2.363 178.886 176.600 -0.127 0.000 0.981 427 E CA 0.212 56.551 56.400 -0.102 0.000 0.830 427 E CB -0.340 29.322 29.700 -0.064 0.000 0.775 427 E HN 0.490 nan 8.360 nan 0.000 0.470 428 M N 0.561 120.081 119.600 -0.134 0.000 2.229 428 M HA -0.098 4.382 4.480 0.000 0.000 0.264 428 M C 2.142 178.270 176.300 -0.286 0.000 1.063 428 M CA 0.774 55.963 55.300 -0.185 0.000 1.114 428 M CB 0.088 32.620 32.600 -0.114 0.000 1.387 428 M HN -0.049 nan 8.290 nan 0.000 0.420 429 V N 1.262 121.043 119.914 -0.221 0.000 2.720 429 V HA -0.243 3.877 4.120 0.000 0.000 0.256 429 V C 1.699 177.671 176.094 -0.204 0.000 1.082 429 V CA 1.720 63.891 62.300 -0.216 0.000 1.101 429 V CB -0.755 30.955 31.823 -0.187 0.000 0.693 429 V HN 0.553 nan 8.190 nan 0.000 0.479 430 N N -0.048 118.539 118.700 -0.189 0.000 2.270 430 N HA -0.162 4.578 4.740 0.000 0.000 0.181 430 N C 1.792 177.216 175.510 -0.143 0.000 1.016 430 N CA 1.462 54.425 53.050 -0.145 0.000 0.870 430 N CB -0.074 38.339 38.487 -0.123 0.000 0.979 430 N HN 0.681 nan 8.380 nan 0.000 0.431 431 E N 1.121 121.192 120.200 -0.215 0.000 2.072 431 E HA -0.056 4.295 4.350 0.000 0.000 0.190 431 E C 1.856 178.339 176.600 -0.195 0.000 0.982 431 E CA 0.716 56.990 56.400 -0.210 0.000 0.803 431 E CB 0.073 29.594 29.700 -0.298 0.000 0.755 431 E HN 0.249 nan 8.360 nan 0.000 0.453 432 A N 1.458 124.068 122.820 -0.350 0.000 1.883 432 A HA -0.147 4.173 4.320 0.000 0.000 0.217 432 A C 2.423 180.015 177.584 0.013 0.000 1.186 432 A CA 1.937 53.913 52.037 -0.102 0.000 0.624 432 A CB -0.846 18.086 19.000 -0.114 0.000 0.822 432 A HN 0.407 nan 8.150 nan 0.000 0.444 433 A N -0.598 122.197 122.820 -0.041 0.000 1.908 433 A HA -0.095 4.225 4.320 0.000 0.000 0.218 433 A C 2.141 179.746 177.584 0.034 0.000 1.181 433 A CA 1.851 53.886 52.037 -0.003 0.000 0.627 433 A CB -0.608 18.374 19.000 -0.029 0.000 0.818 433 A HN 0.744 nan 8.150 nan 0.000 0.445 434 L N -0.486 120.752 121.223 0.025 0.000 2.093 434 L HA 0.010 4.350 4.340 0.000 0.000 0.208 434 L C 2.630 179.569 176.870 0.114 0.000 1.085 434 L CA 1.986 56.864 54.840 0.063 0.000 0.755 434 L CB -0.743 41.327 42.059 0.019 0.000 0.904 434 L HN 0.338 nan 8.230 nan 0.000 0.435 435 A N -0.417 122.471 122.820 0.113 0.000 1.877 435 A HA -0.174 4.146 4.320 0.000 0.000 0.216 435 A C 2.265 179.941 177.584 0.153 0.000 1.186 435 A CA 1.976 54.106 52.037 0.155 0.000 0.620 435 A CB -0.935 18.195 19.000 0.215 0.000 0.822 435 A HN 0.473 nan 8.150 nan 0.000 0.443 436 L N -0.796 120.500 121.223 0.121 0.000 2.131 436 L HA -0.207 4.133 4.340 0.000 0.000 0.210 436 L C 2.650 179.568 176.870 0.079 0.000 1.092 436 L CA 1.723 56.618 54.840 0.091 0.000 0.759 436 L CB -0.387 41.714 42.059 0.069 0.000 0.903 436 L HN 0.526 nan 8.230 nan 0.000 0.435 437 E N -0.257 119.999 120.200 0.092 0.000 2.106 437 E HA -0.241 4.109 4.350 0.000 0.000 0.192 437 E C 1.853 178.468 176.600 0.025 0.000 0.984 437 E CA 1.494 57.928 56.400 0.057 0.000 0.806 437 E CB -0.225 29.524 29.700 0.082 0.000 0.750 437 E HN 0.434 nan 8.360 nan 0.000 0.458 438 Y N -0.392 119.915 120.300 0.011 0.000 2.546 438 Y HA 0.209 4.759 4.550 0.000 0.000 0.287 438 Y C 1.266 177.174 175.900 0.012 0.000 1.158 438 Y CA 0.981 59.087 58.100 0.010 0.000 1.307 438 Y CB 0.527 38.996 38.460 0.016 0.000 1.036 438 Y HN 0.216 nan 8.280 nan 0.000 0.532 439 G N 0.527 109.390 108.800 0.105 0.000 2.256 439 G HA2 -0.169 3.791 3.960 0.000 0.000 0.272 439 G HA3 -0.169 3.791 3.960 0.000 0.000 0.272 439 G C 0.287 175.246 174.900 0.098 0.000 1.076 439 G CA -0.037 45.104 45.100 0.069 0.000 0.882 439 G HN 0.633 nan 8.290 nan 0.000 0.497 440 A N -0.212 122.685 122.820 0.127 0.000 2.448 440 A HA 0.743 5.063 4.320 0.000 0.000 0.239 440 A C 1.100 178.728 177.584 0.074 0.000 1.080 440 A CA 0.967 53.070 52.037 0.110 0.000 0.779 440 A CB 0.405 19.476 19.000 0.118 0.000 1.026 440 A HN 2.139 nan 8.150 nan 0.000 0.499 441 S N -0.433 115.302 115.700 0.058 0.000 2.681 441 S HA 0.330 4.800 4.470 0.000 0.000 0.299 441 S C 0.870 175.482 174.600 0.020 0.000 1.113 441 S CA -0.171 58.053 58.200 0.040 0.000 1.013 441 S CB 0.883 64.106 63.200 0.037 0.000 1.076 441 S HN 0.721 nan 8.310 nan 0.000 0.534 442 C N 0.650 119.953 119.300 0.006 0.000 2.435 442 C HA 0.016 4.476 4.460 0.000 0.000 0.279 442 C C 2.646 177.621 174.990 -0.025 0.000 1.321 442 C CA 0.890 59.891 59.018 -0.029 0.000 1.752 442 C CB -1.492 26.238 27.740 -0.018 0.000 1.959 442 C HN 1.062 nan 8.230 nan 0.000 0.500 443 E N 1.023 121.226 120.200 0.005 0.000 2.072 443 E HA -0.201 4.149 4.350 0.000 0.000 0.191 443 E C 1.510 178.113 176.600 0.005 0.000 0.985 443 E CA 1.208 57.614 56.400 0.010 0.000 0.801 443 E CB -0.092 29.624 29.700 0.026 0.000 0.750 443 E HN 0.531 nan 8.360 nan 0.000 0.452 444 D N 0.546 120.955 120.400 0.015 0.000 2.116 444 D HA -0.189 4.451 4.640 0.000 0.000 0.193 444 D C 2.044 178.359 176.300 0.026 0.000 0.998 444 D CA 1.112 55.126 54.000 0.022 0.000 0.836 444 D CB -0.259 40.563 40.800 0.036 0.000 0.951 444 D HN 0.285 nan 8.370 nan 0.000 0.449 445 I N 1.119 121.701 120.570 0.020 0.000 2.179 445 I HA -0.247 3.923 4.170 0.000 0.000 0.242 445 I C 2.508 178.632 176.117 0.012 0.000 1.088 445 I CA 1.050 62.373 61.300 0.038 0.000 1.357 445 I CB -0.252 37.721 38.000 -0.045 0.000 1.051 445 I HN -0.083 nan 8.210 nan 0.000 0.409 446 A N 0.764 123.551 122.820 -0.056 0.000 1.986 446 A HA -0.215 4.105 4.320 0.000 0.000 0.220 446 A C 2.309 179.878 177.584 -0.026 0.000 1.171 446 A CA 1.650 53.642 52.037 -0.075 0.000 0.640 446 A CB -0.580 18.376 19.000 -0.073 0.000 0.811 446 A HN 0.390 nan 8.150 nan 0.000 0.451 447 R N -1.021 119.479 120.500 0.000 0.000 2.297 447 R HA 0.170 4.510 4.340 0.000 0.000 0.197 447 R C -0.225 176.096 176.300 0.036 0.000 0.943 447 R CA -0.131 55.973 56.100 0.007 0.000 1.038 447 R CB 0.044 30.342 30.300 -0.004 0.000 0.957 447 R HN 0.297 nan 8.270 nan 0.000 0.484 448 V N 1.566 121.527 119.914 0.079 0.000 2.521 448 V HA -0.063 4.057 4.120 0.000 0.000 0.286 448 V C 0.596 176.758 176.094 0.114 0.000 1.034 448 V CA -0.578 61.762 62.300 0.068 0.000 1.045 448 V CB 1.023 32.883 31.823 0.061 0.000 0.974 448 V HN 0.348 nan 8.190 nan 0.000 0.480 449 C N 7.517 126.832 119.300 0.025 0.000 2.648 449 C HA 0.222 4.682 4.460 0.000 0.000 0.406 449 C C 0.422 175.412 174.990 -0.001 0.000 1.406 449 C CA -0.231 58.809 59.018 0.037 0.000 1.610 449 C CB -1.706 26.034 27.740 0.000 0.000 2.451 449 C HN 0.893 nan 8.230 nan 0.000 0.608 450 H N 3.301 122.380 119.070 0.016 0.000 2.463 450 H HA 0.561 5.117 4.556 0.000 0.000 0.332 450 H C 0.484 175.839 175.328 0.045 0.000 1.127 450 H CA 0.516 56.583 56.048 0.033 0.000 1.238 450 H CB 1.406 31.194 29.762 0.042 0.000 1.478 450 H HN 0.900 nan 8.280 nan 0.000 0.499 451 A N 2.108 125.006 122.820 0.129 0.000 2.462 451 A HA 0.213 4.533 4.320 0.000 0.000 0.243 451 A C -0.567 177.104 177.584 0.145 0.000 1.076 451 A CA 0.102 52.201 52.037 0.104 0.000 0.773 451 A CB -0.243 18.787 19.000 0.050 0.000 1.010 451 A HN 0.856 nan 8.150 nan 0.000 0.493 452 H N 2.445 121.543 119.070 0.046 0.000 2.505 452 H HA 0.620 5.176 4.556 0.000 0.000 0.338 452 H C -2.384 172.965 175.328 0.036 0.000 1.057 452 H CA -1.487 54.587 56.048 0.043 0.000 1.202 452 H CB 1.355 31.138 29.762 0.034 0.000 1.466 452 H HN 0.561 nan 8.280 nan 0.000 0.499 453 P HA 0.277 nan 4.420 nan 0.000 0.301 453 P C -1.364 175.823 177.300 -0.189 0.000 1.338 453 P CA -0.622 62.106 63.100 -0.620 0.000 0.834 453 P CB 1.576 32.898 31.700 -0.630 0.000 0.967 454 T N -0.871 113.641 114.554 -0.069 0.000 2.916 454 T HA 0.331 4.681 4.350 0.000 0.000 0.305 454 T C 1.153 175.899 174.700 0.076 0.000 1.119 454 T CA -0.898 61.212 62.100 0.017 0.000 1.008 454 T CB 1.027 69.930 68.868 0.058 0.000 1.129 454 T HN 0.107 nan 8.240 nan 0.000 0.480 455 L N 1.658 122.933 121.223 0.088 0.000 2.187 455 L HA -0.106 4.234 4.340 0.000 0.000 0.213 455 L C 2.980 179.989 176.870 0.232 0.000 1.100 455 L CA 1.715 56.662 54.840 0.178 0.000 0.765 455 L CB -0.642 41.463 42.059 0.076 0.000 0.904 455 L HN 0.962 nan 8.230 nan 0.000 0.437 456 S N -0.878 114.925 115.700 0.170 0.000 2.469 456 S HA -0.184 4.286 4.470 0.000 0.000 0.238 456 S C 1.574 176.229 174.600 0.091 0.000 0.998 456 S CA 0.960 59.281 58.200 0.201 0.000 0.957 456 S CB -0.340 63.037 63.200 0.295 0.000 0.764 456 S HN 0.522 nan 8.310 nan 0.000 0.514 457 E N 1.542 121.767 120.200 0.042 0.000 2.150 457 E HA -0.023 4.327 4.350 0.000 0.000 0.193 457 E C 2.370 178.802 176.600 -0.280 0.000 0.985 457 E CA 0.885 57.210 56.400 -0.126 0.000 0.814 457 E CB -0.390 29.299 29.700 -0.018 0.000 0.752 457 E HN 0.752 nan 8.360 nan 0.000 0.466 458 A N 1.126 123.861 122.820 -0.142 0.000 1.902 458 A HA -0.194 4.126 4.320 0.000 0.000 0.217 458 A C 1.945 179.402 177.584 -0.212 0.000 1.181 458 A CA 1.020 52.898 52.037 -0.265 0.000 0.623 458 A CB -0.668 18.283 19.000 -0.082 0.000 0.818 458 A HN 0.326 nan 8.150 nan 0.000 0.443 459 F N 0.625 120.456 119.950 -0.198 0.000 2.134 459 F HA -0.156 4.371 4.527 0.000 0.000 0.299 459 F C 2.349 178.009 175.800 -0.235 0.000 1.097 459 F CA 1.991 59.897 58.000 -0.156 0.000 1.264 459 F CB -0.305 38.648 39.000 -0.078 0.000 1.001 459 F HN 0.216 nan 8.300 nan 0.000 0.479 460 R N 0.402 120.640 120.500 -0.438 0.000 2.073 460 R HA -0.151 4.189 4.340 0.000 0.000 0.234 460 R C 2.188 178.239 176.300 -0.414 0.000 1.134 460 R CA 1.831 57.609 56.100 -0.537 0.000 0.952 460 R CB -0.421 29.467 30.300 -0.687 0.000 0.850 460 R HN 0.298 nan 8.270 nan 0.000 0.433 461 E N 0.129 120.049 120.200 -0.466 0.000 2.110 461 E HA -0.169 4.181 4.350 0.000 0.000 0.193 461 E C 1.840 178.316 176.600 -0.206 0.000 0.988 461 E CA 1.189 57.328 56.400 -0.434 0.000 0.804 461 E CB -0.099 28.977 29.700 -1.040 0.000 0.745 461 E HN 0.464 nan 8.360 nan 0.000 0.458 462 A N 1.705 124.405 122.820 -0.199 0.000 1.969 462 A HA -0.149 4.171 4.320 0.000 0.000 0.218 462 A C 1.960 179.472 177.584 -0.120 0.000 1.169 462 A CA 1.039 53.037 52.037 -0.065 0.000 0.635 462 A CB -0.307 18.654 19.000 -0.064 0.000 0.810 462 A HN 0.137 nan 8.150 nan 0.000 0.445 463 N N -0.296 118.251 118.700 -0.256 0.000 2.171 463 N HA -0.112 4.628 4.740 0.000 0.000 0.184 463 N C 1.727 177.177 175.510 -0.100 0.000 1.021 463 N CA 1.490 54.408 53.050 -0.220 0.000 0.854 463 N CB -0.296 37.983 38.487 -0.347 0.000 0.994 463 N HN 0.438 nan 8.380 nan 0.000 0.426 464 L N 1.541 122.705 121.223 -0.098 0.000 2.046 464 L HA -0.058 4.282 4.340 0.000 0.000 0.208 464 L C 2.198 179.113 176.870 0.075 0.000 1.077 464 L CA 1.641 56.472 54.840 -0.015 0.000 0.747 464 L CB -0.784 41.243 42.059 -0.053 0.000 0.896 464 L HN 0.064 nan 8.230 nan 0.000 0.432 465 A N -0.293 122.570 122.820 0.070 0.000 1.908 465 A HA -0.135 4.185 4.320 0.000 0.000 0.218 465 A C 2.465 180.097 177.584 0.081 0.000 1.181 465 A CA 1.964 54.071 52.037 0.117 0.000 0.627 465 A CB -1.258 17.828 19.000 0.143 0.000 0.818 465 A HN 0.609 nan 8.150 nan 0.000 0.445 466 A N -1.162 121.687 122.820 0.048 0.000 1.933 466 A HA -0.048 4.272 4.320 0.000 0.000 0.218 466 A C 2.446 180.055 177.584 0.042 0.000 1.175 466 A CA 2.171 54.232 52.037 0.040 0.000 0.628 466 A CB -0.742 18.273 19.000 0.024 0.000 0.814 466 A HN 0.540 nan 8.150 nan 0.000 0.444 467 S N -1.783 113.949 115.700 0.054 0.000 2.317 467 S HA -0.033 4.437 4.470 0.000 0.000 0.212 467 S C 1.712 176.383 174.600 0.118 0.000 1.030 467 S CA 1.259 59.502 58.200 0.072 0.000 0.970 467 S CB -0.448 62.791 63.200 0.066 0.000 0.928 467 S HN 0.564 nan 8.310 nan 0.000 0.451 468 F N 1.131 121.075 119.950 -0.010 0.000 2.367 468 F HA 0.279 4.806 4.527 0.000 0.000 0.298 468 F C 1.604 177.403 175.800 -0.002 0.000 1.094 468 F CA 1.496 59.492 58.000 -0.006 0.000 1.409 468 F CB 0.015 39.010 39.000 -0.008 0.000 1.064 468 F HN 0.470 nan 8.300 nan 0.000 0.528 469 G N 0.467 109.271 108.800 0.006 0.000 2.352 469 G HA2 -0.181 3.779 3.960 0.000 0.000 0.204 469 G HA3 -0.181 3.779 3.960 0.000 0.000 0.204 469 G C 0.176 175.091 174.900 0.025 0.000 1.004 469 G CA -0.024 45.025 45.100 -0.085 0.000 0.648 469 G HN 0.403 nan 8.290 nan 0.000 0.491 470 K N 0.870 121.383 120.400 0.188 0.000 2.469 470 K HA 0.665 4.986 4.320 0.000 0.000 0.254 470 K C 0.297 177.064 176.600 0.277 0.000 0.939 470 K CA -0.171 56.250 56.287 0.224 0.000 0.812 470 K CB 2.348 34.989 32.500 0.236 0.000 1.301 470 K HN 0.382 nan 8.250 nan 0.000 0.433 471 S N 0.739 116.580 115.700 0.234 0.000 2.607 471 S HA 0.333 4.803 4.470 0.000 0.000 0.272 471 S C 0.887 175.589 174.600 0.171 0.000 1.166 471 S CA -0.380 57.942 58.200 0.202 0.000 1.021 471 S CB 0.310 63.711 63.200 0.335 0.000 1.113 471 S HN 0.499 nan 8.310 nan 0.000 0.531 472 I N 0.734 121.383 120.570 0.131 0.000 3.039 472 I HA 0.183 4.354 4.170 0.000 0.000 0.270 472 I C 1.270 177.492 176.117 0.174 0.000 1.150 472 I CA 0.456 61.814 61.300 0.097 0.000 1.448 472 I CB -0.251 37.755 38.000 0.010 0.000 1.197 472 I HN 0.564 nan 8.210 nan 0.000 0.450 473 N N 0.024 118.905 118.700 0.302 0.000 2.295 473 N HA 0.158 4.898 4.740 0.000 0.000 0.221 473 N C -0.507 175.297 175.510 0.490 0.000 1.129 473 N CA 0.272 53.547 53.050 0.374 0.000 0.836 473 N CB 0.801 39.529 38.487 0.401 0.000 1.040 473 N HN 0.127 nan 8.380 nan 0.000 0.494 474 F N 0.000 120.081 119.950 0.218 0.000 2.286 474 F HA 0.000 4.527 4.527 0.000 0.000 0.279 474 F CA 0.000 58.027 58.000 0.044 0.000 1.383 474 F CB 0.000 38.880 39.000 -0.199 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574