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 2x8b_1_A DATA FIRST_RESID 5 DATA SEQUENCE DAELLVTVRG GRLRGIRLKT PGGPVSAFLG IPFAEPPMGP RRFLPPEPKQ DATA SEQUENCE PWSGVVDATT FQSVcYQYVD TLYPGFEGTE MWNPNRELSE DcLYLNVWTP DATA SEQUENCE YPRPTSPTPV LVWIYGGGFY SGASSLDVYD GRFLVQAERT VLVSMNYRVG DATA SEQUENCE AFGFLALPGS REAPGNVGLL DQRLALQWVQ ENVAAFGGDP TSVTLFGEXA DATA SEQUENCE GAASVGMHLL SPPSRGLFHR AVLQSGAPNG PWATVGMGEA RRRATQLAHL DATA SEQUENCE VGcPXXXXXX NDTELVAcLR TRPAQVLVNH EWHVLPQESV FRFSFVPVVD DATA SEQUENCE GDFLSDTPEA LINAGDFHGL QVLVGVVKDE GSYFLVYGAP GFSKDNESLI DATA SEQUENCE SRAEFLAGVR VGVPQVSDLA AEAVVLHYTD WLHPEDPARL REALSDVVGD DATA SEQUENCE HNVVcPVAQL AGRLAAQGAR VYAYVFEHRA STLSWPLWMG VPHGYEIEFI DATA SEQUENCE FGIPLDPSRN YTAEEKIFAQ RLMRYWANFA RTGDPNEPRD PKAPQWPPYT DATA SEQUENCE AGAQQYVSLD LRPLEVRRGL RAQAcAFWNR FLPKLLSATD TLD 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.381 176.300 0.136 0.000 2.045 5 D CA 0.000 54.074 54.000 0.123 0.000 0.868 5 D CB 0.000 40.844 40.800 0.073 0.000 0.688 6 A N -0.072 122.799 122.820 0.084 0.000 1.344 6 A HA -0.312 4.008 4.320 -0.000 0.000 0.222 6 A C 0.776 178.385 177.584 0.043 0.000 0.364 6 A CA 2.744 54.813 52.037 0.053 0.000 1.096 6 A CB -2.169 16.857 19.000 0.043 0.000 1.468 6 A HN 0.759 nan 8.150 nan 0.000 0.722 7 E N 0.402 120.620 120.200 0.031 0.000 2.609 7 E HA 0.608 4.958 4.350 -0.000 0.000 0.208 7 E C 0.735 177.443 176.600 0.179 0.000 1.013 7 E CA 0.063 56.489 56.400 0.043 0.000 1.093 7 E CB 0.056 29.710 29.700 -0.075 0.000 1.129 7 E HN 0.683 nan 8.360 nan 0.000 0.450 8 L N 0.391 121.717 121.223 0.172 0.000 2.567 8 L HA 0.163 4.503 4.340 -0.000 0.000 0.225 8 L C 0.211 177.298 176.870 0.362 0.000 1.119 8 L CA 0.110 55.071 54.840 0.201 0.000 0.871 8 L CB 0.091 42.183 42.059 0.056 0.000 1.036 8 L HN 0.324 nan 8.230 nan 0.000 0.459 9 L N 0.974 122.343 121.223 0.243 0.000 2.275 9 L HA 0.491 4.831 4.340 -0.000 0.000 0.288 9 L C -0.216 176.724 176.870 0.118 0.000 1.046 9 L CA 0.020 54.972 54.840 0.187 0.000 0.805 9 L CB 1.539 43.659 42.059 0.102 0.000 1.193 9 L HN -0.263 nan 8.230 nan 0.000 0.426 10 V N 2.063 122.010 119.914 0.056 0.000 3.048 10 V HA 0.521 4.641 4.120 -0.000 0.000 0.303 10 V C -0.335 175.689 176.094 -0.118 0.000 1.214 10 V CA -0.567 61.640 62.300 -0.155 0.000 0.984 10 V CB 2.832 34.360 31.823 -0.493 0.000 1.054 10 V HN 0.823 nan 8.190 nan 0.000 0.430 11 T N 3.400 117.845 114.554 -0.182 0.000 2.812 11 T HA 0.693 5.043 4.350 -0.000 0.000 0.282 11 T C -0.434 174.151 174.700 -0.191 0.000 0.990 11 T CA -0.483 61.542 62.100 -0.125 0.000 0.960 11 T CB 1.564 70.366 68.868 -0.110 0.000 0.948 11 T HN 0.811 nan 8.240 nan 0.000 0.438 12 V N 1.773 121.611 119.914 -0.126 0.000 3.019 12 V HA 0.633 4.753 4.120 -0.000 0.000 0.317 12 V C 1.601 177.564 176.094 -0.219 0.000 1.094 12 V CA -1.337 60.864 62.300 -0.166 0.000 1.000 12 V CB 1.622 33.443 31.823 -0.004 0.000 1.060 12 V HN 0.763 nan 8.190 nan 0.000 0.443 13 R N 1.679 122.032 120.500 -0.244 0.000 2.174 13 R HA -0.151 4.189 4.340 -0.000 0.000 0.253 13 R C 1.801 177.934 176.300 -0.279 0.000 1.165 13 R CA 2.638 58.600 56.100 -0.230 0.000 0.984 13 R CB -0.852 29.324 30.300 -0.206 0.000 0.873 13 R HN 1.064 nan 8.270 nan 0.000 0.456 14 G N -1.948 106.637 108.800 -0.358 0.000 2.539 14 G HA2 0.345 4.305 3.960 -0.000 0.000 0.215 14 G HA3 0.345 4.305 3.960 -0.000 0.000 0.215 14 G C 0.420 174.478 174.900 -1.403 0.000 1.141 14 G CA 0.426 45.117 45.100 -0.681 0.000 0.806 14 G HN 0.680 nan 8.290 nan 0.000 0.533 15 G N -1.029 107.054 108.800 -1.194 0.000 2.344 15 G HA2 0.383 4.343 3.960 -0.000 0.000 0.282 15 G HA3 0.383 4.343 3.960 -0.000 0.000 0.282 15 G C -1.430 173.368 174.900 -0.169 0.000 1.281 15 G CA -1.142 43.335 45.100 -1.038 0.000 0.877 15 G HN 0.294 nan 8.290 nan 0.000 0.494 16 R N -0.765 119.847 120.500 0.186 0.000 2.459 16 R HA 0.756 5.096 4.340 -0.000 0.000 0.281 16 R C -0.303 176.283 176.300 0.477 0.000 1.050 16 R CA -0.240 56.033 56.100 0.289 0.000 1.055 16 R CB 0.982 31.397 30.300 0.191 0.000 1.045 16 R HN 0.421 nan 8.270 nan 0.000 0.495 17 L N 1.402 122.817 121.223 0.319 0.000 2.350 17 L HA 0.618 4.958 4.340 -0.000 0.000 0.260 17 L C -0.396 176.645 176.870 0.284 0.000 1.015 17 L CA -0.987 54.041 54.840 0.313 0.000 0.821 17 L CB 2.135 44.406 42.059 0.353 0.000 1.370 17 L HN 0.475 nan 8.230 nan 0.000 0.416 18 R N 0.577 121.231 120.500 0.257 0.000 2.435 18 R HA 0.638 4.978 4.340 -0.000 0.000 0.308 18 R C -0.382 176.019 176.300 0.167 0.000 0.975 18 R CA -0.328 55.902 56.100 0.216 0.000 0.867 18 R CB 1.540 31.909 30.300 0.114 0.000 1.171 18 R HN 0.817 nan 8.270 nan 0.000 0.470 19 G N 3.437 112.305 108.800 0.115 0.000 2.574 19 G HA2 0.484 4.444 3.960 -0.000 0.000 0.248 19 G HA3 0.484 4.444 3.960 -0.000 0.000 0.248 19 G C -0.795 173.919 174.900 -0.310 0.000 1.422 19 G CA -0.638 44.235 45.100 -0.379 0.000 1.051 19 G HN 0.612 nan 8.290 nan 0.000 0.560 20 I N -1.611 118.705 120.570 -0.422 0.000 2.841 20 I HA 0.520 4.690 4.170 -0.000 0.000 0.298 20 I C -0.906 175.091 176.117 -0.202 0.000 1.304 20 I CA -1.027 60.132 61.300 -0.235 0.000 1.019 20 I CB 2.317 40.198 38.000 -0.197 0.000 1.282 20 I HN 0.442 nan 8.210 nan 0.000 0.432 21 R N 6.933 127.366 120.500 -0.112 0.000 2.207 21 R HA 0.580 4.920 4.340 -0.000 0.000 0.334 21 R C -1.429 174.816 176.300 -0.091 0.000 1.013 21 R CA -0.528 55.520 56.100 -0.087 0.000 0.858 21 R CB 0.790 31.034 30.300 -0.093 0.000 1.094 21 R HN 0.575 nan 8.270 nan 0.000 0.457 22 L N 4.753 125.932 121.223 -0.073 0.000 2.307 22 L HA 0.406 4.746 4.340 -0.000 0.000 0.282 22 L C 0.094 176.905 176.870 -0.098 0.000 1.051 22 L CA -0.704 54.097 54.840 -0.064 0.000 0.804 22 L CB 1.524 43.574 42.059 -0.015 0.000 1.197 22 L HN 0.461 nan 8.230 nan 0.000 0.431 23 K N 2.140 122.482 120.400 -0.097 0.000 2.201 23 K HA 0.495 4.815 4.320 -0.000 0.000 0.278 23 K C -0.530 176.002 176.600 -0.115 0.000 1.027 23 K CA -0.397 55.832 56.287 -0.097 0.000 0.909 23 K CB 1.561 34.022 32.500 -0.065 0.000 1.062 23 K HN 0.501 nan 8.250 nan 0.000 0.465 24 T N 2.968 117.464 114.554 -0.097 0.000 2.893 24 T HA 0.209 4.559 4.350 -0.000 0.000 0.291 24 T C -1.833 172.877 174.700 0.016 0.000 1.028 24 T CA -1.635 60.431 62.100 -0.057 0.000 0.995 24 T CB 1.851 70.659 68.868 -0.100 0.000 1.051 24 T HN 0.280 nan 8.240 nan 0.000 0.470 25 P HA -0.154 nan 4.420 nan 0.000 0.216 25 P C 1.647 178.967 177.300 0.034 0.000 1.167 25 P CA 1.402 64.537 63.100 0.058 0.000 0.914 25 P CB -0.144 31.605 31.700 0.081 0.000 0.793 26 G N -1.745 107.082 108.800 0.044 0.000 2.448 26 G HA2 0.247 4.207 3.960 -0.000 0.000 0.219 26 G HA3 0.247 4.207 3.960 -0.000 0.000 0.219 26 G C 0.710 175.616 174.900 0.011 0.000 1.127 26 G CA 0.896 46.013 45.100 0.029 0.000 0.766 26 G HN 0.730 nan 8.290 nan 0.000 0.552 27 G N -1.448 107.348 108.800 -0.007 0.000 2.356 27 G HA2 0.376 4.336 3.960 -0.000 0.000 0.288 27 G HA3 0.376 4.336 3.960 -0.000 0.000 0.288 27 G C -3.427 171.433 174.900 -0.065 0.000 1.302 27 G CA -0.511 44.569 45.100 -0.033 0.000 0.887 27 G HN 0.110 nan 8.290 nan 0.000 0.521 28 P HA 0.691 nan 4.420 nan 0.000 0.278 28 P C -0.686 176.582 177.300 -0.053 0.000 1.258 28 P CA -0.644 62.344 63.100 -0.188 0.000 0.811 28 P CB 1.815 33.215 31.700 -0.500 0.000 1.063 29 V N 0.019 119.927 119.914 -0.009 0.000 3.049 29 V HA 0.366 4.486 4.120 -0.000 0.000 0.309 29 V C -0.323 175.879 176.094 0.180 0.000 1.148 29 V CA -0.549 61.834 62.300 0.138 0.000 0.990 29 V CB 2.376 34.264 31.823 0.108 0.000 1.039 29 V HN 0.410 nan 8.190 nan 0.000 0.430 30 S N 2.295 118.143 115.700 0.245 0.000 2.429 30 S HA 0.780 5.250 4.470 -0.000 0.000 0.302 30 S C -0.082 174.478 174.600 -0.067 0.000 1.115 30 S CA -0.260 58.002 58.200 0.103 0.000 1.095 30 S CB 1.201 64.526 63.200 0.209 0.000 0.987 30 S HN 1.037 nan 8.310 nan 0.000 0.474 31 A N 3.271 125.868 122.820 -0.371 0.000 2.350 31 A HA 0.867 5.187 4.320 -0.000 0.000 0.324 31 A C -1.185 175.903 177.584 -0.828 0.000 1.118 31 A CA -0.565 51.134 52.037 -0.562 0.000 0.783 31 A CB 0.518 19.204 19.000 -0.522 0.000 1.236 31 A HN 0.705 nan 8.150 nan 0.000 0.457 32 F N 2.004 121.700 119.950 -0.422 0.000 2.610 32 F HA 0.451 4.978 4.527 -0.000 0.000 0.355 32 F C -0.457 175.093 175.800 -0.417 0.000 1.140 32 F CA -0.214 57.621 58.000 -0.275 0.000 1.037 32 F CB 1.564 40.519 39.000 -0.076 0.000 1.287 32 F HN 0.325 nan 8.300 nan 0.000 0.457 33 L N 2.723 123.762 121.223 -0.308 0.000 2.313 33 L HA 0.752 5.092 4.340 -0.000 0.000 0.283 33 L C 0.663 177.383 176.870 -0.250 0.000 1.013 33 L CA -0.893 53.674 54.840 -0.454 0.000 0.816 33 L CB 1.729 43.321 42.059 -0.778 0.000 1.236 33 L HN 0.844 nan 8.230 nan 0.000 0.419 34 G N 3.566 112.277 108.800 -0.149 0.000 2.255 34 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.239 34 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.239 34 G C -0.262 174.691 174.900 0.087 0.000 1.083 34 G CA -0.615 44.454 45.100 -0.051 0.000 0.826 34 G HN 0.500 nan 8.290 nan 0.000 0.493 35 I N 1.344 121.972 120.570 0.096 0.000 2.396 35 I HA 0.220 4.390 4.170 -0.000 0.000 0.289 35 I C -1.768 174.441 176.117 0.153 0.000 1.056 35 I CA -2.171 59.191 61.300 0.104 0.000 1.365 35 I CB 1.085 39.110 38.000 0.043 0.000 1.407 35 I HN -0.063 nan 8.210 nan 0.000 0.509 36 P HA -0.001 nan 4.420 nan 0.000 0.271 36 P C -0.093 177.200 177.300 -0.012 0.000 1.233 36 P CA 0.107 63.099 63.100 -0.179 0.000 0.764 36 P CB 0.106 31.692 31.700 -0.189 0.000 0.825 37 F N 1.825 121.660 119.950 -0.193 0.000 2.706 37 F HA 0.753 5.280 4.527 -0.000 0.000 0.313 37 F C 0.020 175.827 175.800 0.011 0.000 1.096 37 F CA -0.778 57.190 58.000 -0.053 0.000 1.219 37 F CB 0.225 39.061 39.000 -0.274 0.000 1.051 37 F HN 0.260 nan 8.300 nan 0.000 0.568 38 A N 0.125 122.616 122.820 -0.548 0.000 2.587 38 A HA 0.580 4.900 4.320 -0.000 0.000 0.293 38 A C -0.978 176.434 177.584 -0.286 0.000 1.087 38 A CA -0.761 51.062 52.037 -0.358 0.000 0.692 38 A CB 1.010 19.711 19.000 -0.499 0.000 1.291 38 A HN 0.079 nan 8.150 nan 0.000 0.407 39 E N 2.741 122.855 120.200 -0.143 0.000 2.299 39 E HA 0.223 4.573 4.350 -0.000 0.000 0.272 39 E C -2.212 174.299 176.600 -0.149 0.000 1.043 39 E CA -1.516 54.818 56.400 -0.110 0.000 0.895 39 E CB 0.279 29.954 29.700 -0.043 0.000 1.011 39 E HN 0.357 nan 8.360 nan 0.000 0.432 40 P HA -0.031 nan 4.420 nan 0.000 0.260 40 P C -2.426 174.807 177.300 -0.112 0.000 1.172 40 P CA -0.915 62.093 63.100 -0.153 0.000 0.760 40 P CB -0.240 31.403 31.700 -0.094 0.000 0.773 41 P HA 0.212 nan 4.420 nan 0.000 0.225 41 P C 0.253 177.490 177.300 -0.105 0.000 1.768 41 P CA 0.446 63.486 63.100 -0.100 0.000 0.943 41 P CB -0.099 31.542 31.700 -0.100 0.000 1.936 42 M N -0.792 118.755 119.600 -0.087 0.000 2.686 42 M HA 0.452 4.932 4.480 -0.000 0.000 0.262 42 M C 1.681 177.941 176.300 -0.067 0.000 1.139 42 M CA -0.272 54.976 55.300 -0.088 0.000 0.928 42 M CB 0.144 32.702 32.600 -0.071 0.000 1.482 42 M HN 0.206 nan 8.290 nan 0.000 0.545 43 G N 1.106 109.872 108.800 -0.056 0.000 2.686 43 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.359 43 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.359 43 G C -1.802 173.085 174.900 -0.023 0.000 1.222 43 G CA 0.731 45.812 45.100 -0.032 0.000 0.956 43 G HN 0.564 nan 8.290 nan 0.000 0.565 44 P HA 0.113 nan 4.420 nan 0.000 0.233 44 P C 1.649 178.956 177.300 0.011 0.000 1.167 44 P CA 1.106 64.213 63.100 0.011 0.000 0.770 44 P CB -0.008 31.699 31.700 0.011 0.000 0.837 45 R N -0.983 119.508 120.500 -0.015 0.000 2.297 45 R HA 0.111 4.451 4.340 -0.000 0.000 0.197 45 R C 1.196 177.468 176.300 -0.047 0.000 0.943 45 R CA -0.278 55.810 56.100 -0.020 0.000 1.038 45 R CB -0.110 30.169 30.300 -0.034 0.000 0.957 45 R HN 0.119 nan 8.270 nan 0.000 0.484 46 R N 0.832 121.271 120.500 -0.101 0.000 2.585 46 R HA -0.136 4.204 4.340 -0.000 0.000 0.275 46 R C -0.422 175.757 176.300 -0.203 0.000 1.018 46 R CA 0.663 56.592 56.100 -0.285 0.000 1.072 46 R CB 0.140 30.171 30.300 -0.448 0.000 0.953 46 R HN 0.131 nan 8.270 nan 0.000 0.419 47 F N 0.165 120.115 119.950 0.000 0.000 2.619 47 F HA -0.301 4.226 4.527 -0.000 0.000 0.425 47 F C -0.070 175.706 175.800 -0.040 0.000 0.575 47 F CA 0.402 58.375 58.000 -0.044 0.000 1.289 47 F CB -1.478 37.483 39.000 -0.065 0.000 1.859 47 F HN 0.404 nan 8.300 nan 0.000 0.280 48 L N 1.676 122.959 121.223 0.100 0.000 2.357 48 L HA 0.448 4.788 4.340 -0.000 0.000 0.273 48 L C -1.715 175.175 176.870 0.034 0.000 1.080 48 L CA -1.816 53.062 54.840 0.063 0.000 0.803 48 L CB 0.898 42.985 42.059 0.046 0.000 1.174 48 L HN -0.376 nan 8.230 nan 0.000 0.443 49 P HA 0.029 nan 4.420 nan 0.000 0.267 49 P C -2.475 174.846 177.300 0.034 0.000 1.201 49 P CA -0.686 62.439 63.100 0.041 0.000 0.775 49 P CB -0.311 31.423 31.700 0.057 0.000 0.854 50 P HA 0.194 nan 4.420 nan 0.000 0.275 50 P C -0.675 176.649 177.300 0.041 0.000 1.228 50 P CA 0.073 63.189 63.100 0.026 0.000 0.786 50 P CB 0.816 32.549 31.700 0.054 0.000 0.927 51 E N 3.066 123.276 120.200 0.016 0.000 2.191 51 E HA 0.378 4.728 4.350 -0.000 0.000 0.274 51 E C -2.288 174.338 176.600 0.043 0.000 0.948 51 E CA -2.352 54.069 56.400 0.034 0.000 0.802 51 E CB 0.603 30.316 29.700 0.021 0.000 1.137 51 E HN 0.340 nan 8.360 nan 0.000 0.397 52 P HA -0.049 nan 4.420 nan 0.000 0.267 52 P C -0.809 176.553 177.300 0.104 0.000 1.205 52 P CA -0.214 62.961 63.100 0.125 0.000 0.765 52 P CB 0.384 32.163 31.700 0.132 0.000 0.828 53 K N 3.710 124.187 120.400 0.128 0.000 2.491 53 K HA -0.074 4.246 4.320 -0.000 0.000 0.279 53 K C -0.047 176.661 176.600 0.180 0.000 1.026 53 K CA 0.803 57.173 56.287 0.138 0.000 1.070 53 K CB -0.249 32.370 32.500 0.197 0.000 0.887 53 K HN 0.375 nan 8.250 nan 0.000 0.481 54 Q N 5.063 124.950 119.800 0.144 0.000 2.394 54 Q HA 0.209 4.549 4.340 -0.000 0.000 0.248 54 Q C -1.966 174.145 176.000 0.185 0.000 0.992 54 Q CA -1.786 54.093 55.803 0.126 0.000 0.888 54 Q CB 0.318 29.110 28.738 0.090 0.000 1.257 54 Q HN 0.529 nan 8.270 nan 0.000 0.462 55 P HA 0.006 nan 4.420 nan 0.000 0.272 55 P C -1.426 175.919 177.300 0.075 0.000 1.223 55 P CA -0.227 62.838 63.100 -0.059 0.000 0.784 55 P CB 0.277 31.873 31.700 -0.173 0.000 0.923 56 W N 0.778 122.106 121.300 0.046 0.000 2.639 56 W HA 0.670 5.330 4.660 -0.000 0.000 0.347 56 W C -0.564 175.976 176.519 0.035 0.000 1.067 56 W CA -0.941 56.430 57.345 0.043 0.000 1.218 56 W CB 0.079 29.572 29.460 0.056 0.000 1.393 56 W HN 0.342 nan 8.180 nan 0.000 0.557 57 S N 1.872 117.716 115.700 0.241 0.000 2.617 57 S HA 0.813 5.283 4.470 -0.000 0.000 0.269 57 S C 0.499 175.272 174.600 0.288 0.000 1.292 57 S CA 0.068 58.366 58.200 0.163 0.000 1.010 57 S CB 0.820 64.083 63.200 0.105 0.000 0.944 57 S HN 2.019 nan 8.310 nan 0.000 0.536 58 G N -0.579 108.346 108.800 0.209 0.000 2.725 58 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.220 58 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.220 58 G C -0.587 174.496 174.900 0.305 0.000 1.357 58 G CA -0.371 44.856 45.100 0.212 0.000 0.866 58 G HN 1.948 nan 8.290 nan 0.000 0.548 59 V N 0.136 120.179 119.914 0.216 0.000 2.357 59 V HA 0.647 4.767 4.120 -0.000 0.000 0.284 59 V C 0.539 176.710 176.094 0.129 0.000 1.018 59 V CA -0.467 61.967 62.300 0.222 0.000 0.841 59 V CB 1.190 33.103 31.823 0.150 0.000 0.991 59 V HN 1.271 nan 8.190 nan 0.000 0.437 60 V N 6.274 126.246 119.914 0.096 0.000 2.555 60 V HA 0.184 4.304 4.120 -0.000 0.000 0.286 60 V C 0.360 176.442 176.094 -0.020 0.000 1.044 60 V CA -0.056 62.174 62.300 -0.117 0.000 1.026 60 V CB 1.439 33.003 31.823 -0.432 0.000 0.981 60 V HN 1.050 nan 8.190 nan 0.000 0.480 61 D N 5.172 125.542 120.400 -0.050 0.000 2.338 61 D HA 0.327 4.967 4.640 -0.000 0.000 0.255 61 D C 0.257 176.527 176.300 -0.049 0.000 1.237 61 D CA -0.042 53.939 54.000 -0.031 0.000 0.883 61 D CB 1.291 42.063 40.800 -0.047 0.000 1.087 61 D HN 0.602 nan 8.370 nan 0.000 0.485 62 A N 3.202 126.015 122.820 -0.011 0.000 2.985 62 A HA 0.248 4.568 4.320 -0.000 0.000 0.303 62 A C 1.032 178.542 177.584 -0.124 0.000 1.048 62 A CA -0.273 51.741 52.037 -0.038 0.000 1.016 62 A CB -0.293 18.764 19.000 0.095 0.000 1.118 62 A HN 0.541 nan 8.150 nan 0.000 0.529 63 T N -2.791 111.680 114.554 -0.138 0.000 3.086 63 T HA 0.277 4.627 4.350 -0.000 0.000 0.250 63 T C 0.551 175.128 174.700 -0.205 0.000 1.074 63 T CA 0.718 62.715 62.100 -0.173 0.000 0.988 63 T CB -0.351 68.449 68.868 -0.114 0.000 0.988 63 T HN 0.717 nan 8.240 nan 0.000 0.530 64 T N -0.417 114.003 114.554 -0.224 0.000 3.012 64 T HA 0.603 4.953 4.350 -0.000 0.000 0.330 64 T C -0.821 173.752 174.700 -0.212 0.000 1.321 64 T CA -0.991 60.990 62.100 -0.197 0.000 1.067 64 T CB 0.672 69.490 68.868 -0.083 0.000 1.235 64 T HN 0.029 nan 8.240 nan 0.000 0.479 65 F N 2.289 122.194 119.950 -0.074 0.000 2.607 65 F HA 0.234 4.761 4.527 -0.000 0.000 0.374 65 F C 1.534 177.257 175.800 -0.128 0.000 1.104 65 F CA 0.053 58.012 58.000 -0.069 0.000 1.296 65 F CB 0.494 39.487 39.000 -0.010 0.000 1.085 65 F HN 0.427 nan 8.300 nan 0.000 0.584 66 Q N 1.481 121.271 119.800 -0.017 0.000 2.317 66 Q HA 0.199 4.539 4.340 -0.000 0.000 0.229 66 Q C 0.029 175.977 176.000 -0.087 0.000 0.984 66 Q CA -0.399 55.261 55.803 -0.240 0.000 0.911 66 Q CB 1.518 29.766 28.738 -0.817 0.000 1.217 66 Q HN 0.794 nan 8.270 nan 0.000 0.501 67 S N -0.539 115.088 115.700 -0.121 0.000 2.554 67 S HA 0.080 4.550 4.470 -0.000 0.000 0.290 67 S C 0.400 175.005 174.600 0.009 0.000 1.309 67 S CA -0.715 57.459 58.200 -0.043 0.000 1.047 67 S CB 0.150 63.327 63.200 -0.040 0.000 0.828 67 S HN 0.359 nan 8.310 nan 0.000 0.509 68 V N 1.645 121.547 119.914 -0.020 0.000 2.775 68 V HA 0.077 4.197 4.120 -0.000 0.000 0.299 68 V C 0.927 177.013 176.094 -0.014 0.000 1.062 68 V CA -0.947 61.339 62.300 -0.022 0.000 1.063 68 V CB 0.528 32.303 31.823 -0.081 0.000 0.994 68 V HN 1.136 nan 8.190 nan 0.000 0.483 69 c N 4.169 122.778 118.600 0.015 0.000 2.611 69 c HA 0.065 4.635 4.570 -0.000 0.000 0.416 69 c C 0.565 174.658 174.090 0.006 0.000 1.366 69 c CA -0.446 55.898 56.329 0.024 0.000 1.761 69 c CB -1.121 41.425 42.510 0.060 0.000 2.619 69 c HN 0.764 nan 8.230 nan 0.000 0.606 70 Y N 4.654 124.853 120.300 -0.169 0.000 2.804 70 Y HA 0.148 4.698 4.550 -0.000 0.000 0.338 70 Y C 0.898 176.816 175.900 0.029 0.000 1.252 70 Y CA 0.925 58.913 58.100 -0.187 0.000 1.576 70 Y CB -0.037 38.090 38.460 -0.556 0.000 1.223 70 Y HN 0.722 nan 8.280 nan 0.000 0.536 71 Q N 4.293 124.159 119.800 0.109 0.000 2.565 71 Q HA 0.275 4.615 4.340 -0.000 0.000 0.294 71 Q C -1.750 174.433 176.000 0.305 0.000 1.005 71 Q CA -1.284 54.698 55.803 0.297 0.000 0.771 71 Q CB 1.486 30.352 28.738 0.213 0.000 1.486 71 Q HN 0.607 nan 8.270 nan 0.000 0.422 72 Y N 0.928 121.440 120.300 0.353 0.000 2.425 72 Y HA 0.399 4.949 4.550 -0.000 0.000 0.331 72 Y C -1.048 175.036 175.900 0.306 0.000 1.157 72 Y CA -0.215 58.105 58.100 0.366 0.000 1.372 72 Y CB 1.064 39.846 38.460 0.536 0.000 1.253 72 Y HN 0.409 nan 8.280 nan 0.000 0.536 73 V N 6.751 126.319 119.914 -0.576 0.000 2.350 73 V HA 0.092 4.212 4.120 -0.000 0.000 0.276 73 V C -0.414 175.149 176.094 -0.886 0.000 1.028 73 V CA -0.855 61.133 62.300 -0.521 0.000 0.860 73 V CB 1.007 32.679 31.823 -0.252 0.000 0.990 73 V HN 0.749 nan 8.190 nan 0.000 0.453 74 D N 4.017 124.157 120.400 -0.432 0.000 2.346 74 D HA 0.111 4.751 4.640 -0.000 0.000 0.260 74 D C 1.145 177.449 176.300 0.008 0.000 1.252 74 D CA 0.237 54.181 54.000 -0.093 0.000 0.895 74 D CB 1.145 42.108 40.800 0.271 0.000 1.097 74 D HN 0.714 nan 8.370 nan 0.000 0.489 75 T N 1.182 115.751 114.554 0.024 0.000 3.085 75 T HA 0.015 4.365 4.350 -0.000 0.000 0.264 75 T C 1.780 176.504 174.700 0.040 0.000 1.019 75 T CA -0.458 61.665 62.100 0.037 0.000 0.910 75 T CB -0.045 68.833 68.868 0.016 0.000 1.059 75 T HN 0.240 nan 8.240 nan 0.000 0.542 76 L N 1.198 122.431 121.223 0.017 0.000 2.040 76 L HA -0.149 4.191 4.340 -0.000 0.000 0.228 76 L C -0.071 176.639 176.870 -0.266 0.000 1.092 76 L CA 1.896 56.605 54.840 -0.217 0.000 0.805 76 L CB -0.732 41.060 42.059 -0.446 0.000 0.905 76 L HN 0.437 nan 8.230 nan 0.000 0.443 77 Y N 0.142 120.505 120.300 0.105 0.000 2.842 77 Y HA 0.428 4.978 4.550 -0.000 0.000 0.334 77 Y C -2.083 173.872 175.900 0.092 0.000 1.019 77 Y CA -3.942 54.197 58.100 0.066 0.000 1.258 77 Y CB -0.490 38.000 38.460 0.049 0.000 1.106 77 Y HN 0.125 nan 8.280 nan 0.000 0.545 78 P HA 0.051 nan 4.420 nan 0.000 0.260 78 P C 0.917 178.282 177.300 0.107 0.000 1.172 78 P CA 1.416 64.581 63.100 0.109 0.000 0.760 78 P CB 0.552 32.293 31.700 0.068 0.000 0.773 79 G N 2.290 111.137 108.800 0.078 0.000 2.160 79 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.251 79 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.251 79 G C -0.301 174.655 174.900 0.093 0.000 1.008 79 G CA -0.459 44.671 45.100 0.050 0.000 0.724 79 G HN 0.523 nan 8.290 nan 0.000 0.514 80 F N 1.322 121.228 119.950 -0.073 0.000 2.375 80 F HA 0.568 5.095 4.527 -0.000 0.000 0.361 80 F C 1.107 176.797 175.800 -0.182 0.000 1.117 80 F CA -1.212 56.697 58.000 -0.152 0.000 1.037 80 F CB 1.106 40.014 39.000 -0.153 0.000 1.192 80 F HN 0.178 nan 8.300 nan 0.000 0.452 81 E N 3.785 123.616 120.200 -0.614 0.000 2.065 81 E HA -0.219 4.131 4.350 -0.000 0.000 0.201 81 E C 2.022 178.101 176.600 -0.867 0.000 1.016 81 E CA 1.827 57.848 56.400 -0.632 0.000 0.818 81 E CB -0.273 29.130 29.700 -0.495 0.000 0.749 81 E HN 0.993 nan 8.360 nan 0.000 0.453 82 G N -0.412 107.393 108.800 -1.659 0.000 2.485 82 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.221 82 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.221 82 G C 1.593 176.340 174.900 -0.256 0.000 1.115 82 G CA 1.853 46.206 45.100 -1.245 0.000 0.751 82 G HN 0.509 nan 8.290 nan 0.000 0.567 83 T N -2.232 112.142 114.554 -0.300 0.000 3.045 83 T HA 0.172 4.522 4.350 -0.000 0.000 0.239 83 T C 1.904 176.700 174.700 0.160 0.000 1.008 83 T CA 0.746 63.016 62.100 0.283 0.000 1.143 83 T CB -0.116 69.014 68.868 0.438 0.000 0.894 83 T HN 0.309 nan 8.240 nan 0.000 0.451 84 E N 1.392 121.569 120.200 -0.039 0.000 2.209 84 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 84 E C 2.104 178.602 176.600 -0.171 0.000 0.993 84 E CA 1.229 57.582 56.400 -0.078 0.000 0.819 84 E CB -0.349 29.283 29.700 -0.114 0.000 0.745 84 E HN 0.633 nan 8.360 nan 0.000 0.477 85 M N -0.564 118.848 119.600 -0.314 0.000 2.279 85 M HA -0.164 4.316 4.480 -0.000 0.000 0.264 85 M C 0.730 176.633 176.300 -0.662 0.000 1.062 85 M CA 1.629 56.589 55.300 -0.566 0.000 1.099 85 M CB -0.117 32.025 32.600 -0.763 0.000 1.394 85 M HN 0.086 nan 8.290 nan 0.000 0.426 86 W N 1.047 122.244 121.300 -0.172 0.000 3.220 86 W HA 0.321 4.981 4.660 -0.000 0.000 0.328 86 W C 0.065 176.495 176.519 -0.148 0.000 1.205 86 W CA -0.915 56.322 57.345 -0.179 0.000 1.773 86 W CB -0.424 28.961 29.460 -0.126 0.000 1.086 86 W HN 0.078 nan 8.180 nan 0.000 0.622 87 N N 1.932 120.646 118.700 0.024 0.000 2.482 87 N HA 0.132 4.872 4.740 -0.000 0.000 0.260 87 N C -2.324 173.133 175.510 -0.088 0.000 1.236 87 N CA -1.499 51.537 53.050 -0.023 0.000 0.938 87 N CB -0.033 38.430 38.487 -0.041 0.000 1.128 87 N HN -0.328 nan 8.380 nan 0.000 0.448 88 P HA -0.026 nan 4.420 nan 0.000 0.263 88 P C 0.364 177.588 177.300 -0.125 0.000 1.175 88 P CA 0.261 63.290 63.100 -0.119 0.000 0.761 88 P CB 0.436 32.066 31.700 -0.117 0.000 0.794 89 N N 2.285 120.901 118.700 -0.140 0.000 2.382 89 N HA 0.039 4.779 4.740 -0.000 0.000 0.200 89 N C 0.394 175.840 175.510 -0.106 0.000 1.122 89 N CA 0.410 53.380 53.050 -0.134 0.000 0.870 89 N CB 0.218 38.603 38.487 -0.169 0.000 1.176 89 N HN 0.124 nan 8.380 nan 0.000 0.474 90 R N 1.302 121.741 120.500 -0.101 0.000 2.553 90 R HA 0.259 4.599 4.340 -0.000 0.000 0.263 90 R C 0.156 176.411 176.300 -0.075 0.000 1.066 90 R CA -0.612 55.446 56.100 -0.069 0.000 1.135 90 R CB 0.631 30.904 30.300 -0.045 0.000 1.148 90 R HN 0.337 nan 8.270 nan 0.000 0.558 91 E N 0.289 120.451 120.200 -0.064 0.000 2.442 91 E HA -0.041 4.309 4.350 -0.000 0.000 0.260 91 E C -0.704 175.845 176.600 -0.085 0.000 1.148 91 E CA -0.187 56.171 56.400 -0.069 0.000 0.976 91 E CB 0.484 30.154 29.700 -0.050 0.000 0.967 91 E HN 0.089 nan 8.360 nan 0.000 0.454 92 L N 2.240 123.395 121.223 -0.113 0.000 2.296 92 L HA 0.416 4.756 4.340 -0.000 0.000 0.286 92 L C -0.794 176.036 176.870 -0.065 0.000 1.023 92 L CA 0.350 55.083 54.840 -0.178 0.000 0.812 92 L CB 1.433 43.254 42.059 -0.398 0.000 1.223 92 L HN 0.418 nan 8.230 nan 0.000 0.421 93 S N 2.038 117.746 115.700 0.015 0.000 2.550 93 S HA 0.416 4.886 4.470 -0.000 0.000 0.270 93 S C 0.433 175.070 174.600 0.061 0.000 1.145 93 S CA -0.529 57.731 58.200 0.099 0.000 0.852 93 S CB 1.211 64.438 63.200 0.044 0.000 1.119 93 S HN 0.738 nan 8.310 nan 0.000 0.465 94 E N 0.917 121.101 120.200 -0.027 0.000 2.076 94 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 94 E C -0.205 176.349 176.600 -0.077 0.000 0.979 94 E CA 0.421 56.723 56.400 -0.164 0.000 0.807 94 E CB -0.045 29.492 29.700 -0.272 0.000 0.761 94 E HN 0.609 nan 8.360 nan 0.000 0.454 95 D N 0.931 121.316 120.400 -0.025 0.000 2.479 95 D HA -0.068 4.572 4.640 -0.000 0.000 0.253 95 D C 0.275 176.670 176.300 0.160 0.000 1.278 95 D CA 0.048 54.068 54.000 0.033 0.000 1.145 95 D CB -0.273 40.563 40.800 0.061 0.000 1.118 95 D HN 0.194 nan 8.370 nan 0.000 0.513 96 c N 2.111 120.780 118.600 0.115 0.000 3.911 96 c HA 0.345 4.915 4.570 -0.000 0.000 0.318 96 c C 0.828 175.046 174.090 0.213 0.000 1.643 96 c CA -0.651 55.816 56.329 0.230 0.000 1.845 96 c CB -1.116 41.461 42.510 0.112 0.000 2.981 96 c HN 0.389 nan 8.230 nan 0.000 0.656 97 L N 2.629 123.745 121.223 -0.178 0.000 2.415 97 L HA 0.363 4.703 4.340 -0.000 0.000 0.269 97 L C -0.942 175.445 176.870 -0.805 0.000 1.244 97 L CA 0.571 55.120 54.840 -0.485 0.000 1.113 97 L CB -0.739 40.857 42.059 -0.772 0.000 1.352 97 L HN 0.406 nan 8.230 nan 0.000 0.433 98 Y N 1.969 122.291 120.300 0.037 0.000 2.545 98 Y HA 0.634 5.184 4.550 -0.000 0.000 0.348 98 Y C -0.080 176.019 175.900 0.333 0.000 1.002 98 Y CA -1.252 56.937 58.100 0.149 0.000 1.039 98 Y CB 1.951 40.435 38.460 0.040 0.000 1.271 98 Y HN 0.192 nan 8.280 nan 0.000 0.467 99 L N -0.198 121.213 121.223 0.313 0.000 2.257 99 L HA 0.778 5.118 4.340 -0.000 0.000 0.257 99 L C -1.210 175.617 176.870 -0.072 0.000 1.033 99 L CA -1.205 53.661 54.840 0.043 0.000 0.835 99 L CB 1.576 43.443 42.059 -0.320 0.000 1.398 99 L HN 0.504 nan 8.230 nan 0.000 0.429 100 N N -0.327 118.310 118.700 -0.104 0.000 2.235 100 N HA 0.664 5.404 4.740 -0.000 0.000 0.293 100 N C -1.614 173.719 175.510 -0.296 0.000 1.083 100 N CA -0.438 52.447 53.050 -0.275 0.000 0.801 100 N CB 2.943 41.212 38.487 -0.364 0.000 1.559 100 N HN 0.454 nan 8.380 nan 0.000 0.472 101 V N 1.429 121.092 119.914 -0.419 0.000 2.487 101 V HA 0.465 4.585 4.120 -0.000 0.000 0.298 101 V C -0.659 175.277 176.094 -0.264 0.000 1.028 101 V CA -0.744 61.383 62.300 -0.288 0.000 0.860 101 V CB 2.106 33.556 31.823 -0.621 0.000 0.991 101 V HN 0.564 nan 8.190 nan 0.000 0.427 102 W N 2.149 123.478 121.300 0.048 0.000 2.551 102 W HA 0.695 5.355 4.660 -0.000 0.000 0.330 102 W C 0.072 176.655 176.519 0.107 0.000 1.063 102 W CA -0.405 56.989 57.345 0.082 0.000 1.222 102 W CB 2.229 31.729 29.460 0.066 0.000 1.349 102 W HN 0.525 nan 8.180 nan 0.000 0.536 103 T N 3.214 117.983 114.554 0.357 0.000 2.982 103 T HA 0.386 4.736 4.350 -0.000 0.000 0.321 103 T C -2.632 172.223 174.700 0.259 0.000 1.229 103 T CA -1.608 60.669 62.100 0.295 0.000 1.044 103 T CB 1.935 71.007 68.868 0.340 0.000 1.184 103 T HN -0.092 nan 8.240 nan 0.000 0.477 104 P HA 0.170 nan 4.420 nan 0.000 0.271 104 P C -1.639 175.789 177.300 0.213 0.000 1.233 104 P CA 0.065 63.275 63.100 0.182 0.000 0.795 104 P CB 0.179 31.958 31.700 0.132 0.000 0.936 105 Y N 1.366 121.712 120.300 0.077 0.000 2.329 105 Y HA 0.388 4.937 4.550 -0.000 0.000 0.328 105 Y C -2.261 173.669 175.900 0.049 0.000 0.992 105 Y CA -2.357 55.782 58.100 0.066 0.000 1.151 105 Y CB 1.081 39.570 38.460 0.048 0.000 1.150 105 Y HN 0.285 nan 8.280 nan 0.000 0.450 106 P HA 0.262 nan 4.420 nan 0.000 0.278 106 P C -0.799 176.459 177.300 -0.070 0.000 1.238 106 P CA -0.679 62.327 63.100 -0.158 0.000 0.794 106 P CB 1.149 32.797 31.700 -0.086 0.000 0.955 107 R N 2.932 123.363 120.500 -0.114 0.000 2.474 107 R HA -0.022 4.318 4.340 -0.000 0.000 0.290 107 R C -1.858 174.450 176.300 0.013 0.000 0.918 107 R CA -0.482 55.617 56.100 -0.002 0.000 1.130 107 R CB -0.740 29.558 30.300 -0.003 0.000 0.881 107 R HN 0.357 nan 8.270 nan 0.000 0.416 108 P HA -0.025 nan 4.420 nan 0.000 0.270 108 P C 0.178 177.490 177.300 0.020 0.000 1.223 108 P CA -0.163 62.959 63.100 0.037 0.000 0.785 108 P CB 0.892 32.624 31.700 0.052 0.000 0.923 109 T N -1.743 112.818 114.554 0.012 0.000 2.925 109 T HA 0.018 4.368 4.350 -0.000 0.000 0.232 109 T C 0.622 175.324 174.700 0.003 0.000 1.055 109 T CA 0.340 62.441 62.100 0.002 0.000 1.419 109 T CB -1.362 67.506 68.868 -0.000 0.000 1.094 109 T HN 0.498 nan 8.240 nan 0.000 0.423 110 S N 4.078 119.780 115.700 0.003 0.000 2.561 110 S HA 0.183 4.653 4.470 -0.000 0.000 0.294 110 S C -2.372 172.233 174.600 0.009 0.000 1.294 110 S CA -1.148 57.053 58.200 0.002 0.000 1.055 110 S CB -0.690 62.510 63.200 0.000 0.000 0.819 110 S HN 0.573 nan 8.310 nan 0.000 0.503 111 P HA 0.101 nan 4.420 nan 0.000 0.263 111 P C 0.154 177.465 177.300 0.019 0.000 1.195 111 P CA 0.035 63.145 63.100 0.016 0.000 0.762 111 P CB 0.274 31.977 31.700 0.005 0.000 0.799 112 T N 1.212 115.789 114.554 0.037 0.000 2.925 112 T HA 0.539 4.889 4.350 -0.000 0.000 0.285 112 T C -2.745 171.980 174.700 0.040 0.000 1.021 112 T CA -2.825 59.296 62.100 0.035 0.000 1.042 112 T CB 0.914 69.810 68.868 0.047 0.000 1.037 112 T HN 0.059 nan 8.240 nan 0.000 0.481 113 P HA 0.239 nan 4.420 nan 0.000 0.266 113 P C -0.928 176.404 177.300 0.053 0.000 1.193 113 P CA -0.348 62.765 63.100 0.022 0.000 0.770 113 P CB 0.407 32.104 31.700 -0.006 0.000 0.836 114 V N 4.608 124.567 119.914 0.076 0.000 2.448 114 V HA 0.315 4.435 4.120 -0.000 0.000 0.295 114 V C 0.211 176.366 176.094 0.102 0.000 1.025 114 V CA -0.575 61.790 62.300 0.109 0.000 0.859 114 V CB 1.436 33.347 31.823 0.147 0.000 0.988 114 V HN 0.382 nan 8.190 nan 0.000 0.431 115 L N 5.170 126.445 121.223 0.086 0.000 2.282 115 L HA 0.604 4.944 4.340 -0.000 0.000 0.288 115 L C -0.716 176.311 176.870 0.262 0.000 1.033 115 L CA -0.598 54.276 54.840 0.056 0.000 0.807 115 L CB 1.893 43.843 42.059 -0.181 0.000 1.209 115 L HN 0.396 nan 8.230 nan 0.000 0.423 116 V N 2.950 123.082 119.914 0.363 0.000 2.409 116 V HA 0.281 4.401 4.120 -0.000 0.000 0.291 116 V C -0.551 175.922 176.094 0.631 0.000 1.020 116 V CA -0.672 61.878 62.300 0.417 0.000 0.848 116 V CB 1.836 33.782 31.823 0.205 0.000 0.990 116 V HN 0.704 nan 8.190 nan 0.000 0.430 117 W N 6.932 128.439 121.300 0.345 0.000 2.361 117 W HA 0.635 5.295 4.660 -0.000 0.000 0.309 117 W C -1.356 175.110 176.519 -0.089 0.000 1.122 117 W CA -0.782 56.564 57.345 0.002 0.000 1.208 117 W CB 1.293 30.750 29.460 -0.006 0.000 1.246 117 W HN 0.462 nan 8.180 nan 0.000 0.490 118 I N 9.261 129.253 120.570 -0.962 0.000 2.354 118 I HA 0.071 4.241 4.170 -0.000 0.000 0.286 118 I C -0.131 175.199 176.117 -1.312 0.000 1.007 118 I CA -1.123 59.637 61.300 -0.900 0.000 1.167 118 I CB 0.564 38.218 38.000 -0.576 0.000 1.320 118 I HN 0.283 nan 8.210 nan 0.000 0.458 119 Y N 4.682 124.505 120.300 -0.796 0.000 2.426 119 Y HA 0.674 5.224 4.550 -0.000 0.000 0.344 119 Y C 0.689 176.456 175.900 -0.221 0.000 1.256 119 Y CA -1.030 56.760 58.100 -0.518 0.000 1.451 119 Y CB -0.126 38.235 38.460 -0.166 0.000 1.342 119 Y HN 0.525 nan 8.280 nan 0.000 0.600 120 G N -0.898 107.979 108.800 0.127 0.000 2.671 120 G HA2 0.512 4.472 3.960 -0.000 0.000 0.275 120 G HA3 0.512 4.472 3.960 -0.000 0.000 0.275 120 G C 0.127 175.001 174.900 -0.044 0.000 1.368 120 G CA -0.948 44.142 45.100 -0.017 0.000 1.044 120 G HN 1.692 nan 8.290 nan 0.000 0.543 121 G N -2.748 105.867 108.800 -0.308 0.000 2.334 121 G HA2 0.431 4.391 3.960 -0.000 0.000 0.222 121 G HA3 0.431 4.391 3.960 -0.000 0.000 0.222 121 G C 0.964 175.359 174.900 -0.840 0.000 1.077 121 G CA 0.705 45.515 45.100 -0.483 0.000 0.861 121 G HN 2.268 nan 8.290 nan 0.000 0.508 122 G N -0.366 107.911 108.800 -0.872 0.000 2.212 122 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.267 122 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.267 122 G C 0.927 175.393 174.900 -0.723 0.000 1.002 122 G CA 0.810 45.139 45.100 -1.285 0.000 0.729 122 G HN 1.760 nan 8.290 nan 0.000 0.517 123 F N -3.415 116.317 119.950 -0.363 0.000 2.871 123 F HA -0.299 4.228 4.527 -0.000 0.000 0.326 123 F C 1.406 177.235 175.800 0.050 0.000 0.675 123 F CA 2.069 59.975 58.000 -0.157 0.000 1.188 123 F CB -2.082 36.676 39.000 -0.403 0.000 1.567 123 F HN 0.926 nan 8.300 nan 0.000 0.325 124 Y N -1.190 119.191 120.300 0.134 0.000 2.471 124 Y HA 0.667 5.217 4.550 -0.000 0.000 0.249 124 Y C 0.500 176.540 175.900 0.234 0.000 1.116 124 Y CA 0.126 58.351 58.100 0.208 0.000 1.240 124 Y CB 0.020 38.559 38.460 0.133 0.000 1.251 124 Y HN 0.111 nan 8.280 nan 0.000 0.527 125 S N -0.684 114.883 115.700 -0.222 0.000 2.615 125 S HA 0.890 5.360 4.470 -0.000 0.000 0.269 125 S C -0.345 174.105 174.600 -0.251 0.000 1.161 125 S CA -0.419 57.684 58.200 -0.162 0.000 0.817 125 S CB 1.555 64.619 63.200 -0.225 0.000 1.131 125 S HN 1.320 nan 8.310 nan 0.000 0.467 126 G N -0.652 107.960 108.800 -0.312 0.000 2.317 126 G HA2 0.598 4.558 3.960 -0.000 0.000 0.445 126 G HA3 0.598 4.558 3.960 -0.000 0.000 0.445 126 G C -0.917 173.414 174.900 -0.947 0.000 1.486 126 G CA -0.039 44.647 45.100 -0.690 0.000 0.991 126 G HN 2.094 nan 8.290 nan 0.000 0.660 127 A N -0.413 121.780 122.820 -1.045 0.000 2.577 127 A HA 0.896 5.216 4.320 -0.000 0.000 0.297 127 A C 0.895 178.430 177.584 -0.081 0.000 1.060 127 A CA 0.728 52.450 52.037 -0.526 0.000 0.697 127 A CB 1.011 19.876 19.000 -0.225 0.000 1.281 127 A HN 2.338 nan 8.150 nan 0.000 0.402 128 S N 0.286 116.162 115.700 0.294 0.000 2.515 128 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 128 S C 1.324 176.073 174.600 0.248 0.000 0.987 128 S CA 1.437 59.930 58.200 0.489 0.000 0.936 128 S CB -0.433 63.106 63.200 0.566 0.000 0.766 128 S HN 1.611 nan 8.310 nan 0.000 0.528 129 S N 1.022 116.637 115.700 -0.142 0.000 2.593 129 S HA 0.334 4.804 4.470 -0.000 0.000 0.217 129 S C 0.544 174.768 174.600 -0.628 0.000 0.966 129 S CA -0.570 57.063 58.200 -0.945 0.000 0.914 129 S CB -0.645 62.029 63.200 -0.876 0.000 0.776 129 S HN 0.470 nan 8.310 nan 0.000 0.523 130 L N 2.681 123.739 121.223 -0.275 0.000 2.499 130 L HA 0.083 4.423 4.340 -0.000 0.000 0.273 130 L C 1.024 177.634 176.870 -0.434 0.000 1.195 130 L CA -0.328 54.284 54.840 -0.380 0.000 0.882 130 L CB 0.190 41.946 42.059 -0.505 0.000 1.133 130 L HN 0.100 nan 8.230 nan 0.000 0.483 131 D N 1.898 122.056 120.400 -0.403 0.000 2.203 131 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 131 D C 1.834 177.913 176.300 -0.368 0.000 0.997 131 D CA 1.039 54.854 54.000 -0.308 0.000 0.863 131 D CB 0.190 40.827 40.800 -0.272 0.000 0.928 131 D HN 0.381 nan 8.370 nan 0.000 0.458 132 V N -0.161 119.382 119.914 -0.618 0.000 3.461 132 V HA -0.147 3.973 4.120 -0.000 0.000 0.267 132 V C 0.415 176.000 176.094 -0.848 0.000 1.186 132 V CA 0.825 62.697 62.300 -0.712 0.000 1.154 132 V CB -0.432 30.855 31.823 -0.895 0.000 0.802 132 V HN 0.146 nan 8.190 nan 0.000 0.474 133 Y N -0.661 119.256 120.300 -0.637 0.000 2.555 133 Y HA 0.394 4.944 4.550 -0.000 0.000 0.259 133 Y C 0.730 176.423 175.900 -0.346 0.000 1.179 133 Y CA -1.706 55.848 58.100 -0.911 0.000 1.230 133 Y CB -0.494 37.649 38.460 -0.528 0.000 1.146 133 Y HN 0.212 nan 8.280 nan 0.000 0.526 134 D N 0.444 120.809 120.400 -0.058 0.000 2.472 134 D HA 0.051 4.691 4.640 -0.000 0.000 0.248 134 D C 1.400 177.583 176.300 -0.196 0.000 1.174 134 D CA 0.596 54.590 54.000 -0.011 0.000 0.883 134 D CB 1.271 42.120 40.800 0.082 0.000 1.149 134 D HN 0.451 nan 8.370 nan 0.000 0.488 135 G N 3.673 111.847 108.800 -1.043 0.000 2.985 135 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.209 135 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.209 135 G C 1.441 175.830 174.900 -0.852 0.000 1.165 135 G CA 0.254 44.627 45.100 -1.211 0.000 0.776 135 G HN 0.598 nan 8.290 nan 0.000 0.541 136 R N -0.494 119.604 120.500 -0.671 0.000 2.081 136 R HA 0.012 4.352 4.340 -0.000 0.000 0.235 136 R C 1.719 177.781 176.300 -0.396 0.000 1.131 136 R CA 1.351 57.177 56.100 -0.456 0.000 0.960 136 R CB -0.699 29.302 30.300 -0.498 0.000 0.856 136 R HN 0.313 nan 8.270 nan 0.000 0.436 137 F N 0.756 120.626 119.950 -0.133 0.000 2.206 137 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 137 F C 2.164 177.891 175.800 -0.122 0.000 1.090 137 F CA 0.304 58.239 58.000 -0.108 0.000 1.323 137 F CB -0.407 38.523 39.000 -0.117 0.000 1.028 137 F HN -0.002 nan 8.300 nan 0.000 0.492 138 L N -0.006 121.213 121.223 -0.006 0.000 2.056 138 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 138 L C 2.218 179.051 176.870 -0.061 0.000 1.078 138 L CA 1.414 56.198 54.840 -0.093 0.000 0.749 138 L CB -0.756 41.153 42.059 -0.250 0.000 0.901 138 L HN -0.026 nan 8.230 nan 0.000 0.433 139 V N -0.534 119.343 119.914 -0.062 0.000 2.358 139 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 139 V C 2.592 178.705 176.094 0.033 0.000 1.047 139 V CA 1.769 64.077 62.300 0.013 0.000 1.035 139 V CB -0.601 31.269 31.823 0.078 0.000 0.658 139 V HN 0.561 nan 8.190 nan 0.000 0.452 140 Q N 0.047 119.857 119.800 0.017 0.000 2.119 140 Q HA -0.133 4.207 4.340 -0.000 0.000 0.201 140 Q C 2.155 178.176 176.000 0.034 0.000 0.972 140 Q CA 2.046 57.868 55.803 0.031 0.000 0.847 140 Q CB -0.150 28.591 28.738 0.007 0.000 0.903 140 Q HN 0.613 nan 8.270 nan 0.000 0.433 141 A N 0.003 122.840 122.820 0.029 0.000 2.021 141 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 141 A C 1.317 178.908 177.584 0.011 0.000 1.163 141 A CA 0.747 52.797 52.037 0.021 0.000 0.676 141 A CB 0.209 19.220 19.000 0.018 0.000 0.818 141 A HN 0.223 nan 8.150 nan 0.000 0.453 142 E N -0.563 119.643 120.200 0.009 0.000 2.758 142 E HA 0.138 4.488 4.350 -0.000 0.000 0.215 142 E C -0.698 175.914 176.600 0.020 0.000 0.985 142 E CA -0.338 56.067 56.400 0.009 0.000 1.102 142 E CB 0.220 29.920 29.700 0.000 0.000 1.042 142 E HN 0.490 nan 8.360 nan 0.000 0.480 143 R N 1.636 122.155 120.500 0.032 0.000 2.403 143 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 143 R C -0.019 176.310 176.300 0.049 0.000 0.807 143 R CA 1.174 57.304 56.100 0.050 0.000 0.615 143 R CB -1.658 28.672 30.300 0.051 0.000 1.559 143 R HN 0.237 nan 8.270 nan 0.000 0.538 144 T N -3.213 111.374 114.554 0.054 0.000 2.865 144 T HA 0.578 4.928 4.350 -0.000 0.000 0.294 144 T C -0.022 174.736 174.700 0.097 0.000 1.119 144 T CA -1.072 61.063 62.100 0.059 0.000 1.007 144 T CB 1.989 70.874 68.868 0.029 0.000 1.225 144 T HN -0.002 nan 8.240 nan 0.000 0.515 145 V N 2.189 122.172 119.914 0.115 0.000 2.465 145 V HA 0.450 4.570 4.120 -0.000 0.000 0.279 145 V C -0.179 176.020 176.094 0.175 0.000 1.045 145 V CA -0.876 61.521 62.300 0.162 0.000 0.938 145 V CB 1.206 33.130 31.823 0.169 0.000 0.986 145 V HN 0.759 nan 8.190 nan 0.000 0.467 146 L N 6.502 127.877 121.223 0.253 0.000 2.313 146 L HA 0.708 5.048 4.340 -0.000 0.000 0.283 146 L C -0.898 176.241 176.870 0.447 0.000 1.013 146 L CA -0.209 54.820 54.840 0.315 0.000 0.816 146 L CB 1.891 44.097 42.059 0.244 0.000 1.236 146 L HN 0.460 nan 8.230 nan 0.000 0.419 147 V N 3.470 123.623 119.914 0.398 0.000 2.709 147 V HA 0.644 4.764 4.120 -0.000 0.000 0.308 147 V C -0.312 176.025 176.094 0.405 0.000 1.062 147 V CA -0.524 61.981 62.300 0.341 0.000 0.901 147 V CB 2.291 34.224 31.823 0.184 0.000 1.003 147 V HN 0.920 nan 8.190 nan 0.000 0.425 148 S N 4.921 120.864 115.700 0.404 0.000 2.549 148 S HA 0.898 5.368 4.470 -0.000 0.000 0.280 148 S C -0.843 173.893 174.600 0.227 0.000 1.109 148 S CA -0.835 57.599 58.200 0.390 0.000 0.905 148 S CB 2.348 65.926 63.200 0.629 0.000 1.081 148 S HN 0.889 nan 8.310 nan 0.000 0.477 149 M N 1.055 120.734 119.600 0.132 0.000 2.716 149 M HA 0.664 5.144 4.480 -0.000 0.000 0.307 149 M C -1.623 174.835 176.300 0.263 0.000 1.223 149 M CA -0.643 54.726 55.300 0.114 0.000 0.871 149 M CB 0.823 33.329 32.600 -0.155 0.000 1.739 149 M HN 0.545 nan 8.290 nan 0.000 0.475 150 N N 2.047 120.984 118.700 0.395 0.000 2.499 150 N HA 0.555 5.295 4.740 -0.000 0.000 0.281 150 N C -1.445 174.312 175.510 0.411 0.000 1.098 150 N CA 0.054 53.358 53.050 0.424 0.000 0.979 150 N CB 0.624 39.342 38.487 0.385 0.000 1.121 150 N HN 0.714 nan 8.380 nan 0.000 0.466 151 Y N -1.510 118.946 120.300 0.260 0.000 2.512 151 Y HA 0.568 5.118 4.550 -0.000 0.000 0.348 151 Y C 0.157 176.210 175.900 0.255 0.000 0.990 151 Y CA -1.333 56.895 58.100 0.213 0.000 1.033 151 Y CB 0.904 39.434 38.460 0.117 0.000 1.259 151 Y HN 0.196 nan 8.280 nan 0.000 0.461 152 R N 1.828 122.488 120.500 0.268 0.000 2.640 152 R HA 0.431 4.771 4.340 -0.000 0.000 0.270 152 R C -0.298 176.193 176.300 0.319 0.000 1.024 152 R CA 0.137 56.353 56.100 0.193 0.000 1.085 152 R CB 0.595 30.957 30.300 0.104 0.000 0.963 152 R HN 0.736 nan 8.270 nan 0.000 0.426 153 V N -0.632 119.500 119.914 0.363 0.000 3.156 153 V HA 0.858 4.978 4.120 -0.000 0.000 0.311 153 V C 0.726 177.158 176.094 0.564 0.000 1.208 153 V CA -0.272 62.357 62.300 0.549 0.000 1.063 153 V CB 1.076 33.116 31.823 0.362 0.000 1.098 153 V HN 0.974 nan 8.190 nan 0.000 0.452 154 G N 0.418 109.570 108.800 0.587 0.000 2.574 154 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.282 154 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.282 154 G C 1.071 176.145 174.900 0.289 0.000 1.257 154 G CA 1.333 46.727 45.100 0.489 0.000 0.956 154 G HN 2.243 nan 8.290 nan 0.000 0.560 155 A N -1.379 121.341 122.820 -0.167 0.000 1.933 155 A HA 0.272 4.592 4.320 -0.000 0.000 0.218 155 A C 2.237 179.674 177.584 -0.245 0.000 1.175 155 A CA 2.424 54.041 52.037 -0.700 0.000 0.628 155 A CB -0.479 17.965 19.000 -0.928 0.000 0.814 155 A HN 0.912 nan 8.150 nan 0.000 0.444 156 F N 0.181 120.138 119.950 0.011 0.000 2.307 156 F HA -0.025 4.502 4.527 -0.000 0.000 0.301 156 F C 2.379 178.135 175.800 -0.073 0.000 1.076 156 F CA 1.048 58.987 58.000 -0.103 0.000 1.383 156 F CB -0.530 38.410 39.000 -0.100 0.000 1.055 156 F HN 0.294 nan 8.300 nan 0.000 0.526 157 G N -2.203 106.667 108.800 0.117 0.000 2.673 157 G HA2 0.059 4.019 3.960 -0.000 0.000 0.208 157 G HA3 0.059 4.019 3.960 -0.000 0.000 0.208 157 G C 0.937 175.423 174.900 -0.691 0.000 1.128 157 G CA 0.169 45.111 45.100 -0.262 0.000 0.805 157 G HN 0.348 nan 8.290 nan 0.000 0.526 158 F N -0.347 119.647 119.950 0.074 0.000 2.925 158 F HA 0.430 4.957 4.527 -0.000 0.000 0.355 158 F C 0.580 176.381 175.800 0.002 0.000 1.073 158 F CA -0.851 57.172 58.000 0.038 0.000 1.127 158 F CB 0.431 39.469 39.000 0.062 0.000 1.123 158 F HN -0.087 nan 8.300 nan 0.000 0.551 159 L N 2.494 123.656 121.223 -0.102 0.000 2.601 159 L HA 0.406 4.746 4.340 -0.000 0.000 0.277 159 L C -0.132 176.675 176.870 -0.106 0.000 1.219 159 L CA -0.071 54.602 54.840 -0.279 0.000 0.915 159 L CB 0.333 42.001 42.059 -0.651 0.000 1.160 159 L HN 0.139 nan 8.230 nan 0.000 0.494 160 A N 6.464 129.276 122.820 -0.014 0.000 2.374 160 A HA 0.612 4.932 4.320 -0.000 0.000 0.305 160 A C -1.072 176.486 177.584 -0.044 0.000 1.053 160 A CA -0.649 51.370 52.037 -0.029 0.000 0.726 160 A CB 1.430 20.445 19.000 0.024 0.000 1.229 160 A HN 0.559 nan 8.150 nan 0.000 0.431 161 L N 3.689 124.867 121.223 -0.075 0.000 2.417 161 L HA 0.338 4.678 4.340 -0.000 0.000 0.258 161 L C -2.372 174.478 176.870 -0.033 0.000 1.088 161 L CA -1.935 52.871 54.840 -0.057 0.000 0.975 161 L CB 0.012 42.021 42.059 -0.083 0.000 1.341 161 L HN 0.370 nan 8.230 nan 0.000 0.431 162 P HA 0.054 nan 4.420 nan 0.000 0.261 162 P C 1.006 178.301 177.300 -0.008 0.000 1.158 162 P CA 1.071 64.167 63.100 -0.007 0.000 0.758 162 P CB 0.599 32.297 31.700 -0.003 0.000 0.763 163 G N 1.572 110.371 108.800 -0.002 0.000 2.179 163 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 163 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 163 G C 0.448 175.345 174.900 -0.005 0.000 0.977 163 G CA 0.243 45.342 45.100 -0.002 0.000 0.641 163 G HN 0.796 nan 8.290 nan 0.000 0.533 164 S N -0.522 115.172 115.700 -0.011 0.000 2.584 164 S HA 0.636 5.106 4.470 -0.000 0.000 0.273 164 S C 1.427 176.024 174.600 -0.005 0.000 1.311 164 S CA -0.172 58.019 58.200 -0.016 0.000 1.034 164 S CB 1.321 64.499 63.200 -0.035 0.000 0.939 164 S HN 0.287 nan 8.310 nan 0.000 0.513 165 R N 1.768 122.267 120.500 -0.002 0.000 2.237 165 R HA 0.181 4.521 4.340 -0.000 0.000 0.195 165 R C 1.014 177.322 176.300 0.014 0.000 0.956 165 R CA 0.720 56.825 56.100 0.008 0.000 1.029 165 R CB -0.113 30.192 30.300 0.009 0.000 0.972 165 R HN 0.710 nan 8.270 nan 0.000 0.493 166 E N -0.472 119.731 120.200 0.005 0.000 2.250 166 E HA 0.148 4.498 4.350 -0.000 0.000 0.192 166 E C -0.305 176.306 176.600 0.019 0.000 0.986 166 E CA 0.532 56.941 56.400 0.016 0.000 0.849 166 E CB 0.752 30.454 29.700 0.004 0.000 0.797 166 E HN 0.175 nan 8.360 nan 0.000 0.482 167 A N 0.654 123.459 122.820 -0.025 0.000 3.007 167 A HA 0.282 4.602 4.320 -0.000 0.000 0.314 167 A C -2.250 175.312 177.584 -0.038 0.000 1.153 167 A CA -0.980 51.026 52.037 -0.052 0.000 0.780 167 A CB 0.605 19.470 19.000 -0.225 0.000 1.258 167 A HN -0.087 nan 8.150 nan 0.000 0.460 168 P HA 0.124 nan 4.420 nan 0.000 0.222 168 P C 0.955 178.259 177.300 0.007 0.000 1.153 168 P CA 1.724 64.829 63.100 0.008 0.000 0.798 168 P CB 0.221 31.937 31.700 0.027 0.000 0.796 169 G N 0.697 109.496 108.800 -0.001 0.000 2.746 169 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.685 169 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.685 169 G C 0.005 174.888 174.900 -0.028 0.000 1.350 169 G CA -0.199 44.900 45.100 -0.002 0.000 0.837 169 G HN 0.157 nan 8.290 nan 0.000 0.564 170 N N -2.661 116.005 118.700 -0.056 0.000 2.900 170 N HA -0.282 4.458 4.740 -0.000 0.000 0.240 170 N C 1.906 177.269 175.510 -0.245 0.000 0.953 170 N CA 2.606 55.570 53.050 -0.143 0.000 0.950 170 N CB -1.558 36.848 38.487 -0.135 0.000 1.102 170 N HN 1.965 nan 8.380 nan 0.000 0.593 171 V N -2.252 117.514 119.914 -0.248 0.000 2.720 171 V HA 0.043 4.163 4.120 -0.000 0.000 0.256 171 V C 2.215 178.175 176.094 -0.224 0.000 1.082 171 V CA 2.352 64.556 62.300 -0.160 0.000 1.101 171 V CB -0.791 30.980 31.823 -0.087 0.000 0.693 171 V HN 0.287 nan 8.190 nan 0.000 0.479 172 G N 0.366 108.817 108.800 -0.582 0.000 2.408 172 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.217 172 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.217 172 G C 1.520 176.382 174.900 -0.063 0.000 1.150 172 G CA 1.064 45.948 45.100 -0.360 0.000 0.776 172 G HN 0.536 nan 8.290 nan 0.000 0.542 173 L N -0.025 121.114 121.223 -0.140 0.000 2.093 173 L HA 0.085 4.425 4.340 -0.000 0.000 0.208 173 L C 2.826 179.762 176.870 0.110 0.000 1.085 173 L CA 0.317 55.088 54.840 -0.114 0.000 0.755 173 L CB -0.240 41.476 42.059 -0.572 0.000 0.904 173 L HN 0.174 nan 8.230 nan 0.000 0.435 174 L N -0.493 120.793 121.223 0.104 0.000 2.083 174 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 174 L C 2.149 179.137 176.870 0.197 0.000 1.083 174 L CA 1.068 56.030 54.840 0.204 0.000 0.752 174 L CB -0.657 41.489 42.059 0.146 0.000 0.899 174 L HN 0.309 nan 8.230 nan 0.000 0.433 175 D N -0.107 120.397 120.400 0.173 0.000 2.117 175 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 175 D C 2.298 178.755 176.300 0.262 0.000 0.987 175 D CA 1.118 55.285 54.000 0.279 0.000 0.829 175 D CB -0.201 40.779 40.800 0.299 0.000 0.961 175 D HN 0.396 nan 8.370 nan 0.000 0.460 176 Q N 0.062 119.950 119.800 0.147 0.000 2.135 176 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 176 Q C 2.277 178.279 176.000 0.003 0.000 0.981 176 Q CA 0.990 56.806 55.803 0.022 0.000 0.856 176 Q CB -0.039 28.702 28.738 0.004 0.000 0.902 176 Q HN 0.222 nan 8.270 nan 0.000 0.425 177 R N 0.568 121.157 120.500 0.149 0.000 2.066 177 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 177 R C 2.275 178.635 176.300 0.101 0.000 1.131 177 R CA 0.889 57.066 56.100 0.127 0.000 0.955 177 R CB -0.284 30.169 30.300 0.254 0.000 0.851 177 R HN 0.203 nan 8.270 nan 0.000 0.432 178 L N 0.957 122.280 121.223 0.166 0.000 2.051 178 L HA -0.201 4.139 4.340 -0.000 0.000 0.214 178 L C 2.239 179.199 176.870 0.150 0.000 1.076 178 L CA 2.289 57.261 54.840 0.221 0.000 0.758 178 L CB -0.647 41.630 42.059 0.363 0.000 0.890 178 L HN 0.297 nan 8.230 nan 0.000 0.433 179 A N -1.103 121.645 122.820 -0.121 0.000 1.930 179 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 179 A C 2.257 179.800 177.584 -0.067 0.000 1.175 179 A CA 1.675 53.450 52.037 -0.437 0.000 0.627 179 A CB -0.744 17.724 19.000 -0.885 0.000 0.815 179 A HN 0.484 nan 8.150 nan 0.000 0.443 180 L N -0.825 120.372 121.223 -0.043 0.000 2.083 180 L HA -0.255 4.085 4.340 -0.000 0.000 0.209 180 L C 2.877 179.807 176.870 0.099 0.000 1.083 180 L CA 1.510 56.360 54.840 0.017 0.000 0.752 180 L CB -0.523 41.499 42.059 -0.061 0.000 0.899 180 L HN 0.493 nan 8.230 nan 0.000 0.433 181 Q N -1.284 118.584 119.800 0.113 0.000 2.084 181 Q HA -0.271 4.069 4.340 -0.000 0.000 0.202 181 Q C 1.983 178.084 176.000 0.170 0.000 0.978 181 Q CA 2.032 57.910 55.803 0.125 0.000 0.844 181 Q CB -0.350 28.463 28.738 0.124 0.000 0.898 181 Q HN 0.551 nan 8.270 nan 0.000 0.426 182 W N 0.545 121.863 121.300 0.030 0.000 2.341 182 W HA -0.225 4.435 4.660 -0.000 0.000 0.283 182 W C 1.607 178.159 176.519 0.055 0.000 1.215 182 W CA 1.227 58.605 57.345 0.055 0.000 1.211 182 W CB 0.157 29.644 29.460 0.046 0.000 1.131 182 W HN -0.116 nan 8.180 nan 0.000 0.552 183 V N 0.312 120.463 119.914 0.396 0.000 2.407 183 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 183 V C 2.472 178.637 176.094 0.117 0.000 1.041 183 V CA 1.651 64.147 62.300 0.326 0.000 1.040 183 V CB -0.950 31.041 31.823 0.280 0.000 0.671 183 V HN 0.098 nan 8.190 nan 0.000 0.455 184 Q N 0.203 120.056 119.800 0.087 0.000 2.077 184 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 184 Q C 2.241 178.225 176.000 -0.027 0.000 0.989 184 Q CA 2.038 57.868 55.803 0.044 0.000 0.853 184 Q CB -0.313 28.450 28.738 0.042 0.000 0.907 184 Q HN 0.749 nan 8.270 nan 0.000 0.418 185 E N -0.453 119.691 120.200 -0.094 0.000 2.152 185 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 185 E C 0.904 177.334 176.600 -0.283 0.000 0.983 185 E CA 0.621 56.912 56.400 -0.182 0.000 0.818 185 E CB 0.320 29.889 29.700 -0.218 0.000 0.758 185 E HN 0.297 nan 8.360 nan 0.000 0.467 186 N N -0.526 117.928 118.700 -0.411 0.000 2.166 186 N HA -0.021 4.719 4.740 -0.000 0.000 0.213 186 N C 1.200 176.632 175.510 -0.130 0.000 1.222 186 N CA 0.103 52.854 53.050 -0.497 0.000 0.900 186 N CB 1.205 38.946 38.487 -1.245 0.000 1.055 186 N HN -0.004 nan 8.380 nan 0.000 0.515 187 V N 1.583 121.520 119.914 0.038 0.000 2.667 187 V HA -0.039 4.081 4.120 -0.000 0.000 0.252 187 V C 2.262 178.491 176.094 0.224 0.000 1.065 187 V CA 1.662 64.134 62.300 0.286 0.000 1.083 187 V CB -0.415 31.547 31.823 0.232 0.000 0.692 187 V HN 0.248 nan 8.190 nan 0.000 0.468 188 A N -0.026 122.825 122.820 0.052 0.000 2.024 188 A HA -0.074 4.246 4.320 -0.000 0.000 0.220 188 A C 2.313 179.848 177.584 -0.081 0.000 1.164 188 A CA 1.743 53.778 52.037 -0.003 0.000 0.643 188 A CB -0.731 18.243 19.000 -0.043 0.000 0.806 188 A HN 0.785 nan 8.150 nan 0.000 0.451 189 A N -1.836 120.854 122.820 -0.216 0.000 2.225 189 A HA 0.167 4.487 4.320 -0.000 0.000 0.215 189 A C 1.228 178.386 177.584 -0.711 0.000 1.164 189 A CA 1.028 52.752 52.037 -0.521 0.000 0.710 189 A CB -0.614 17.927 19.000 -0.765 0.000 0.780 189 A HN 0.533 nan 8.150 nan 0.000 0.473 190 F N -2.096 117.824 119.950 -0.051 0.000 2.729 190 F HA 0.417 4.944 4.527 -0.000 0.000 0.315 190 F C 1.544 177.359 175.800 0.026 0.000 1.102 190 F CA 0.329 58.320 58.000 -0.015 0.000 1.204 190 F CB 0.535 39.549 39.000 0.024 0.000 1.052 190 F HN 0.249 nan 8.300 nan 0.000 0.551 191 G N 0.672 109.549 108.800 0.128 0.000 2.141 191 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.231 191 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.231 191 G C 0.486 175.454 174.900 0.113 0.000 0.984 191 G CA -0.297 44.861 45.100 0.096 0.000 0.660 191 G HN 0.720 nan 8.290 nan 0.000 0.525 192 G N -0.470 108.420 108.800 0.151 0.000 2.400 192 G HA2 0.500 4.460 3.960 -0.000 0.000 0.301 192 G HA3 0.500 4.460 3.960 -0.000 0.000 0.301 192 G C -0.796 174.159 174.900 0.092 0.000 1.154 192 G CA 0.212 45.396 45.100 0.141 0.000 0.852 192 G HN 0.241 nan 8.290 nan 0.000 0.511 193 D N 1.941 122.386 120.400 0.074 0.000 2.473 193 D HA 0.342 4.982 4.640 -0.000 0.000 0.226 193 D C -1.604 174.730 176.300 0.057 0.000 1.089 193 D CA -2.392 51.633 54.000 0.041 0.000 0.883 193 D CB 1.847 42.652 40.800 0.009 0.000 1.029 193 D HN 0.004 nan 8.370 nan 0.000 0.517 194 P HA -0.059 nan 4.420 nan 0.000 0.231 194 P C 0.946 178.349 177.300 0.172 0.000 1.158 194 P CA 0.951 64.125 63.100 0.124 0.000 0.763 194 P CB 0.087 31.837 31.700 0.084 0.000 0.805 195 T N -6.565 108.002 114.554 0.022 0.000 3.086 195 T HA 0.167 4.517 4.350 -0.000 0.000 0.250 195 T C 0.765 175.063 174.700 -0.669 0.000 1.074 195 T CA -0.074 61.925 62.100 -0.169 0.000 0.988 195 T CB -0.285 68.509 68.868 -0.123 0.000 0.988 195 T HN -0.045 nan 8.240 nan 0.000 0.530 196 S N 0.987 116.497 115.700 -0.317 0.000 2.279 196 S HA 0.570 5.040 4.470 -0.000 0.000 0.176 196 S C -1.070 173.584 174.600 0.091 0.000 1.554 196 S CA -0.517 57.529 58.200 -0.256 0.000 1.242 196 S CB 0.321 63.430 63.200 -0.152 0.000 1.163 196 S HN 0.229 nan 8.310 nan 0.000 0.449 197 V N 4.036 124.240 119.914 0.485 0.000 2.378 197 V HA 0.498 4.618 4.120 -0.000 0.000 0.288 197 V C 0.050 176.350 176.094 0.345 0.000 1.016 197 V CA -0.424 62.097 62.300 0.368 0.000 0.840 197 V CB 1.851 33.866 31.823 0.319 0.000 0.994 197 V HN 0.711 nan 8.190 nan 0.000 0.431 198 T N 6.683 121.371 114.554 0.223 0.000 2.795 198 T HA 0.573 4.923 4.350 -0.000 0.000 0.282 198 T C -0.204 174.637 174.700 0.235 0.000 0.980 198 T CA -0.316 61.919 62.100 0.225 0.000 1.012 198 T CB 0.937 69.882 68.868 0.127 0.000 0.936 198 T HN 0.322 nan 8.240 nan 0.000 0.457 199 L N 5.119 126.488 121.223 0.243 0.000 2.292 199 L HA 0.592 4.932 4.340 -0.000 0.000 0.284 199 L C -0.656 176.443 176.870 0.382 0.000 1.065 199 L CA -0.828 54.125 54.840 0.188 0.000 0.806 199 L CB 0.452 42.424 42.059 -0.144 0.000 1.175 199 L HN 0.629 nan 8.230 nan 0.000 0.431 200 F N 1.438 121.480 119.950 0.152 0.000 2.561 200 F HA 0.913 5.440 4.527 -0.000 0.000 0.313 200 F C -0.278 175.543 175.800 0.036 0.000 1.126 200 F CA -1.708 56.431 58.000 0.232 0.000 0.918 200 F CB 1.146 40.425 39.000 0.464 0.000 1.199 200 F HN 0.364 nan 8.300 nan 0.000 0.444 201 G N 1.859 110.551 108.800 -0.179 0.000 2.766 201 G HA2 0.588 4.548 3.960 -0.000 0.000 0.288 201 G HA3 0.588 4.548 3.960 -0.000 0.000 0.288 201 G C -2.049 172.658 174.900 -0.321 0.000 1.408 201 G CA -0.705 43.961 45.100 -0.723 0.000 0.852 201 G HN 0.814 nan 8.290 nan 0.000 0.487 205 G N 0.701 109.336 108.800 -0.276 0.000 2.440 205 G HA2 0.047 4.007 3.960 -0.000 0.000 0.218 205 G HA3 0.047 4.007 3.960 -0.000 0.000 0.218 205 G C 1.663 176.420 174.900 -0.238 0.000 1.154 205 G CA 2.028 46.931 45.100 -0.328 0.000 0.767 205 G HN 1.311 nan 8.290 nan 0.000 0.552 206 A N 1.030 123.780 122.820 -0.117 0.000 1.898 206 A HA 0.341 4.661 4.320 -0.000 0.000 0.216 206 A C 2.800 180.396 177.584 0.020 0.000 1.181 206 A CA 2.106 54.133 52.037 -0.016 0.000 0.620 206 A CB -0.715 18.329 19.000 0.072 0.000 0.819 206 A HN 0.807 nan 8.150 nan 0.000 0.442 207 A N -0.447 122.413 122.820 0.066 0.000 1.972 207 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 207 A C 2.402 180.017 177.584 0.051 0.000 1.169 207 A CA 1.945 54.024 52.037 0.071 0.000 0.635 207 A CB -0.695 18.386 19.000 0.134 0.000 0.810 207 A HN 0.452 nan 8.150 nan 0.000 0.446 208 S N -0.223 115.498 115.700 0.035 0.000 2.344 208 S HA -0.145 4.325 4.470 -0.000 0.000 0.217 208 S C 1.924 176.524 174.600 -0.000 0.000 1.033 208 S CA 1.382 59.569 58.200 -0.022 0.000 1.017 208 S CB -0.786 62.359 63.200 -0.091 0.000 0.941 208 S HN 0.341 nan 8.310 nan 0.000 0.430 209 V N 2.019 121.941 119.914 0.013 0.000 2.257 209 V HA -0.324 3.796 4.120 -0.000 0.000 0.257 209 V C 2.586 178.705 176.094 0.043 0.000 1.077 209 V CA 2.222 64.529 62.300 0.011 0.000 1.063 209 V CB -1.653 30.156 31.823 -0.023 0.000 0.664 209 V HN 0.651 nan 8.190 nan 0.000 0.450 210 G N -1.697 107.126 108.800 0.038 0.000 2.470 210 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 210 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 210 G C 1.506 176.452 174.900 0.076 0.000 1.121 210 G CA 1.051 46.184 45.100 0.055 0.000 0.766 210 G HN 0.508 nan 8.290 nan 0.000 0.553 211 M N -0.588 119.032 119.600 0.035 0.000 2.435 211 M HA 0.135 4.615 4.480 -0.000 0.000 0.265 211 M C 2.105 178.491 176.300 0.143 0.000 1.104 211 M CA 0.473 55.812 55.300 0.065 0.000 1.140 211 M CB -0.035 32.540 32.600 -0.041 0.000 1.372 211 M HN 0.165 nan 8.290 nan 0.000 0.456 212 H N 0.312 119.498 119.070 0.193 0.000 2.462 212 H HA 0.014 4.570 4.556 -0.000 0.000 0.292 212 H C 2.089 177.597 175.328 0.301 0.000 1.049 212 H CA 1.171 57.325 56.048 0.176 0.000 1.334 212 H CB -0.153 29.563 29.762 -0.077 0.000 1.404 212 H HN 0.367 nan 8.280 nan 0.000 0.544 213 L N 0.306 121.776 121.223 0.412 0.000 2.131 213 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 213 L C 1.782 178.842 176.870 0.317 0.000 1.092 213 L CA 0.931 56.044 54.840 0.455 0.000 0.759 213 L CB -0.059 42.218 42.059 0.364 0.000 0.903 213 L HN 0.173 nan 8.230 nan 0.000 0.435 214 L N -2.388 118.974 121.223 0.233 0.000 2.693 214 L HA 0.148 4.488 4.340 -0.000 0.000 0.235 214 L C 0.846 177.766 176.870 0.082 0.000 1.127 214 L CA -0.086 54.853 54.840 0.165 0.000 0.914 214 L CB 0.526 42.679 42.059 0.156 0.000 1.193 214 L HN -0.065 nan 8.230 nan 0.000 0.502 215 S N 0.235 115.963 115.700 0.046 0.000 2.474 215 S HA 0.322 4.792 4.470 -0.000 0.000 0.320 215 S C -1.671 172.867 174.600 -0.103 0.000 1.067 215 S CA -1.523 56.586 58.200 -0.153 0.000 1.127 215 S CB 0.985 63.824 63.200 -0.601 0.000 0.971 215 S HN -0.121 nan 8.310 nan 0.000 0.472 216 P HA -0.104 nan 4.420 nan 0.000 0.216 216 P C -1.627 175.639 177.300 -0.057 0.000 1.157 216 P CA 1.343 64.410 63.100 -0.056 0.000 0.880 216 P CB -0.738 30.926 31.700 -0.061 0.000 0.791 217 P HA -0.075 nan 4.420 nan 0.000 0.227 217 P C 0.893 178.181 177.300 -0.019 0.000 1.145 217 P CA 1.585 64.643 63.100 -0.071 0.000 0.769 217 P CB -0.451 31.179 31.700 -0.117 0.000 0.769 218 S N -1.936 113.776 115.700 0.020 0.000 2.512 218 S HA 0.132 4.602 4.470 -0.000 0.000 0.216 218 S C 1.625 176.349 174.600 0.206 0.000 1.006 218 S CA -0.262 58.031 58.200 0.155 0.000 0.915 218 S CB -0.011 63.379 63.200 0.317 0.000 0.824 218 S HN 0.039 nan 8.310 nan 0.000 0.497 219 R N 1.852 122.402 120.500 0.084 0.000 2.152 219 R HA 0.041 4.381 4.340 -0.000 0.000 0.232 219 R C 1.793 177.965 176.300 -0.214 0.000 1.117 219 R CA 0.970 57.035 56.100 -0.059 0.000 0.981 219 R CB -1.113 29.146 30.300 -0.068 0.000 0.870 219 R HN 0.440 nan 8.270 nan 0.000 0.451 220 G N -0.522 108.216 108.800 -0.103 0.000 3.383 220 G HA2 0.166 4.126 3.960 -0.000 0.000 0.251 220 G HA3 0.166 4.126 3.960 -0.000 0.000 0.251 220 G C 0.956 175.794 174.900 -0.104 0.000 1.203 220 G CA -0.276 44.751 45.100 -0.121 0.000 0.852 220 G HN 0.184 nan 8.290 nan 0.000 0.531 221 L N -0.509 120.682 121.223 -0.054 0.000 2.731 221 L HA 0.431 4.771 4.340 -0.000 0.000 0.240 221 L C 0.054 176.952 176.870 0.047 0.000 1.120 221 L CA -0.207 54.657 54.840 0.040 0.000 0.913 221 L CB 0.173 42.308 42.059 0.126 0.000 1.213 221 L HN 0.325 nan 8.230 nan 0.000 0.515 222 F N -4.077 115.642 119.950 -0.386 0.000 2.773 222 F HA 0.425 4.952 4.527 -0.000 0.000 0.314 222 F C 0.144 175.567 175.800 -0.629 0.000 1.160 222 F CA -1.018 56.709 58.000 -0.456 0.000 0.920 222 F CB 0.756 39.675 39.000 -0.135 0.000 1.323 222 F HN -0.114 nan 8.300 nan 0.000 0.457 223 H N -0.596 118.456 119.070 -0.031 0.000 3.440 223 H HA 0.454 5.010 4.556 -0.000 0.000 0.259 223 H C -0.280 175.034 175.328 -0.022 0.000 1.120 223 H CA -0.166 55.801 56.048 -0.135 0.000 1.191 223 H CB 1.106 30.826 29.762 -0.070 0.000 1.537 223 H HN 0.441 nan 8.280 nan 0.000 0.547 224 R N 0.517 121.195 120.500 0.297 0.000 2.668 224 R HA 0.683 5.023 4.340 -0.000 0.000 0.272 224 R C -1.496 175.102 176.300 0.497 0.000 1.019 224 R CA -0.653 55.627 56.100 0.299 0.000 0.894 224 R CB 2.883 33.210 30.300 0.046 0.000 1.228 224 R HN 0.132 nan 8.270 nan 0.000 0.460 225 A N 1.743 124.854 122.820 0.486 0.000 2.398 225 A HA 0.642 4.962 4.320 -0.000 0.000 0.301 225 A C -1.232 176.521 177.584 0.282 0.000 1.041 225 A CA -0.601 51.657 52.037 0.368 0.000 0.711 225 A CB 1.765 20.963 19.000 0.330 0.000 1.240 225 A HN 0.324 nan 8.150 nan 0.000 0.420 226 V N 3.442 123.492 119.914 0.227 0.000 2.350 226 V HA 0.388 4.508 4.120 -0.000 0.000 0.285 226 V C -1.018 175.187 176.094 0.185 0.000 1.014 226 V CA -0.297 62.074 62.300 0.118 0.000 0.831 226 V CB 1.013 32.907 31.823 0.119 0.000 1.000 226 V HN 0.701 nan 8.190 nan 0.000 0.433 227 L N 5.728 127.026 121.223 0.124 0.000 2.265 227 L HA 0.531 4.871 4.340 -0.000 0.000 0.289 227 L C 0.153 177.132 176.870 0.182 0.000 1.033 227 L CA 0.052 54.966 54.840 0.124 0.000 0.814 227 L CB 1.221 43.317 42.059 0.061 0.000 1.203 227 L HN 0.616 nan 8.230 nan 0.000 0.423 228 Q N 1.990 121.939 119.800 0.248 0.000 2.347 228 Q HA 0.478 4.818 4.340 -0.000 0.000 0.262 228 Q C 0.069 176.191 176.000 0.204 0.000 0.980 228 Q CA -0.623 55.373 55.803 0.322 0.000 0.867 228 Q CB 1.407 30.433 28.738 0.480 0.000 1.242 228 Q HN 0.613 nan 8.270 nan 0.000 0.453 229 S N 0.972 116.774 115.700 0.170 0.000 3.631 229 S HA -0.152 4.318 4.470 -0.000 0.000 0.366 229 S C 0.066 174.822 174.600 0.261 0.000 0.993 229 S CA 0.549 58.862 58.200 0.188 0.000 1.167 229 S CB -1.234 62.046 63.200 0.133 0.000 0.909 229 S HN 1.028 nan 8.310 nan 0.000 0.478 230 G N -1.064 107.872 108.800 0.226 0.000 2.466 230 G HA2 0.838 4.798 3.960 -0.000 0.000 0.291 230 G HA3 0.838 4.798 3.960 -0.000 0.000 0.291 230 G C -1.390 173.624 174.900 0.190 0.000 1.460 230 G CA 0.173 45.471 45.100 0.330 0.000 0.791 230 G HN 1.473 nan 8.290 nan 0.000 0.505 231 A N 0.169 123.083 122.820 0.157 0.000 2.585 231 A HA 0.794 5.114 4.320 -0.000 0.000 0.299 231 A C -2.283 175.212 177.584 -0.149 0.000 1.047 231 A CA -0.206 51.829 52.037 -0.004 0.000 0.723 231 A CB 1.391 20.374 19.000 -0.027 0.000 1.275 231 A HN 0.547 nan 8.150 nan 0.000 0.408 232 P HA -0.188 nan 4.420 nan 0.000 0.217 232 P C 0.690 177.841 177.300 -0.250 0.000 1.148 232 P CA 1.800 64.796 63.100 -0.174 0.000 0.828 232 P CB -0.098 31.555 31.700 -0.077 0.000 0.783 233 N N -0.253 118.320 118.700 -0.211 0.000 2.383 233 N HA 0.030 4.770 4.740 -0.000 0.000 0.192 233 N C 0.927 176.252 175.510 -0.309 0.000 1.141 233 N CA 0.054 52.977 53.050 -0.212 0.000 0.851 233 N CB -0.914 37.498 38.487 -0.124 0.000 0.976 233 N HN -0.037 nan 8.380 nan 0.000 0.465 234 G N 1.944 110.453 108.800 -0.486 0.000 2.491 234 G HA2 0.140 4.100 3.960 -0.000 0.000 0.238 234 G HA3 0.140 4.100 3.960 -0.000 0.000 0.238 234 G C -1.201 173.248 174.900 -0.750 0.000 1.277 234 G CA -0.839 43.845 45.100 -0.694 0.000 0.851 234 G HN 0.083 nan 8.290 nan 0.000 0.573 235 P HA -0.078 nan 4.420 nan 0.000 0.225 235 P C 1.223 178.417 177.300 -0.177 0.000 1.148 235 P CA 1.212 64.133 63.100 -0.300 0.000 0.779 235 P CB 0.105 31.650 31.700 -0.260 0.000 0.780 236 W N -1.355 119.915 121.300 -0.050 0.000 3.114 236 W HA 0.535 5.195 4.660 -0.000 0.000 0.279 236 W C 1.319 177.960 176.519 0.205 0.000 1.277 236 W CA 0.387 57.806 57.345 0.124 0.000 1.630 236 W CB -1.148 28.511 29.460 0.333 0.000 1.087 236 W HN -0.129 nan 8.180 nan 0.000 0.637 237 A N 1.750 124.171 122.820 -0.665 0.000 1.975 237 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 237 A C 1.235 178.646 177.584 -0.288 0.000 1.170 237 A CA 1.810 53.491 52.037 -0.593 0.000 0.656 237 A CB -0.884 17.468 19.000 -1.079 0.000 0.821 237 A HN 0.184 nan 8.150 nan 0.000 0.449 238 T N -3.787 110.610 114.554 -0.262 0.000 2.907 238 T HA 0.619 4.969 4.350 -0.000 0.000 0.292 238 T C -0.832 173.794 174.700 -0.124 0.000 1.043 238 T CA -0.649 61.332 62.100 -0.199 0.000 1.003 238 T CB 1.611 70.371 68.868 -0.179 0.000 1.084 238 T HN 0.386 nan 8.240 nan 0.000 0.483 239 V N 0.749 120.604 119.914 -0.098 0.000 2.960 239 V HA 0.862 4.982 4.120 -0.000 0.000 0.315 239 V C 0.715 176.781 176.094 -0.048 0.000 1.087 239 V CA -0.249 62.015 62.300 -0.060 0.000 0.982 239 V CB 1.913 33.710 31.823 -0.043 0.000 1.039 239 V HN 1.338 nan 8.190 nan 0.000 0.437 240 G N 2.788 111.567 108.800 -0.037 0.000 2.580 240 G HA2 0.344 4.304 3.960 -0.000 0.000 0.278 240 G HA3 0.344 4.304 3.960 -0.000 0.000 0.278 240 G C 0.603 175.492 174.900 -0.018 0.000 1.212 240 G CA -0.485 44.599 45.100 -0.028 0.000 0.939 240 G HN 0.744 nan 8.290 nan 0.000 0.513 241 M N 0.480 120.072 119.600 -0.013 0.000 2.099 241 M HA -0.010 4.470 4.480 -0.000 0.000 0.262 241 M C 2.837 179.132 176.300 -0.008 0.000 1.067 241 M CA 1.718 57.014 55.300 -0.007 0.000 1.124 241 M CB -0.631 31.965 32.600 -0.006 0.000 1.353 241 M HN 0.651 nan 8.290 nan 0.000 0.410 242 G N 0.258 109.051 108.800 -0.012 0.000 2.491 242 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 242 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 242 G C 1.487 176.379 174.900 -0.014 0.000 1.180 242 G CA 0.865 45.957 45.100 -0.013 0.000 0.774 242 G HN 0.340 nan 8.290 nan 0.000 0.562 243 E N 0.729 120.918 120.200 -0.017 0.000 2.085 243 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 243 E C 2.971 179.562 176.600 -0.016 0.000 0.994 243 E CA 1.119 57.506 56.400 -0.022 0.000 0.801 243 E CB -0.502 29.180 29.700 -0.029 0.000 0.743 243 E HN 0.328 nan 8.360 nan 0.000 0.453 244 A N 1.715 124.534 122.820 -0.003 0.000 1.877 244 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 244 A C 2.171 179.776 177.584 0.035 0.000 1.186 244 A CA 2.076 54.129 52.037 0.026 0.000 0.620 244 A CB -0.566 18.455 19.000 0.035 0.000 0.822 244 A HN 0.318 nan 8.150 nan 0.000 0.443 245 R N -0.823 119.684 120.500 0.011 0.000 2.189 245 R HA 0.038 4.378 4.340 -0.000 0.000 0.218 245 R C 2.147 178.448 176.300 0.002 0.000 1.074 245 R CA 1.097 57.198 56.100 0.003 0.000 0.991 245 R CB -0.384 29.909 30.300 -0.011 0.000 0.883 245 R HN 0.449 nan 8.270 nan 0.000 0.457 246 R N 0.970 121.468 120.500 -0.003 0.000 2.073 246 R HA -0.038 4.302 4.340 -0.000 0.000 0.234 246 R C 2.228 178.528 176.300 0.001 0.000 1.134 246 R CA 1.815 57.910 56.100 -0.009 0.000 0.952 246 R CB -0.019 30.270 30.300 -0.019 0.000 0.850 246 R HN 0.299 nan 8.270 nan 0.000 0.433 247 R N -0.447 120.055 120.500 0.004 0.000 2.092 247 R HA -0.031 4.309 4.340 -0.000 0.000 0.231 247 R C 2.248 178.617 176.300 0.115 0.000 1.119 247 R CA 1.183 57.284 56.100 0.002 0.000 0.970 247 R CB -0.267 29.966 30.300 -0.111 0.000 0.864 247 R HN 0.212 nan 8.270 nan 0.000 0.440 248 A N 0.690 123.597 122.820 0.144 0.000 1.930 248 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 248 A C 2.128 179.730 177.584 0.031 0.000 1.175 248 A CA 1.600 53.705 52.037 0.113 0.000 0.627 248 A CB -0.556 18.452 19.000 0.013 0.000 0.815 248 A HN 0.225 nan 8.150 nan 0.000 0.443 249 T N -0.628 113.937 114.554 0.018 0.000 2.857 249 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 249 T C 2.049 176.772 174.700 0.037 0.000 1.048 249 T CA 1.414 63.519 62.100 0.008 0.000 1.139 249 T CB -0.184 68.681 68.868 -0.006 0.000 0.874 249 T HN 0.623 nan 8.240 nan 0.000 0.455 250 Q N 0.276 120.102 119.800 0.043 0.000 2.030 250 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 250 Q C 2.295 178.352 176.000 0.095 0.000 0.986 250 Q CA 1.376 57.221 55.803 0.071 0.000 0.843 250 Q CB -0.318 28.453 28.738 0.056 0.000 0.904 250 Q HN 0.342 nan 8.270 nan 0.000 0.420 251 L N 0.608 121.882 121.223 0.086 0.000 2.043 251 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 251 L C 2.183 179.042 176.870 -0.018 0.000 1.075 251 L CA 2.325 57.201 54.840 0.060 0.000 0.752 251 L CB -0.966 41.180 42.059 0.146 0.000 0.891 251 L HN 0.303 nan 8.230 nan 0.000 0.432 252 A N -1.095 121.721 122.820 -0.007 0.000 1.865 252 A HA -0.349 3.971 4.320 -0.000 0.000 0.217 252 A C 2.310 179.881 177.584 -0.023 0.000 1.191 252 A CA 2.018 54.035 52.037 -0.032 0.000 0.623 252 A CB -1.230 17.755 19.000 -0.025 0.000 0.826 252 A HN 0.768 nan 8.150 nan 0.000 0.444 253 H N -0.314 118.718 119.070 -0.063 0.000 2.352 253 H HA -0.035 4.521 4.556 -0.000 0.000 0.299 253 H C 1.707 176.983 175.328 -0.087 0.000 1.097 253 H CA 1.896 57.910 56.048 -0.057 0.000 1.311 253 H CB -0.312 29.430 29.762 -0.032 0.000 1.377 253 H HN 0.350 nan 8.280 nan 0.000 0.504 254 L N -0.326 120.795 121.223 -0.169 0.000 2.191 254 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 254 L C 1.677 178.257 176.870 -0.484 0.000 1.103 254 L CA 0.814 55.464 54.840 -0.316 0.000 0.769 254 L CB 0.023 41.938 42.059 -0.240 0.000 0.908 254 L HN 0.278 nan 8.230 nan 0.000 0.438 255 V N -0.827 118.863 119.914 -0.373 0.000 3.621 255 V HA 0.250 4.370 4.120 -0.000 0.000 0.285 255 V C 1.095 177.071 176.094 -0.196 0.000 1.346 255 V CA 0.776 62.877 62.300 -0.331 0.000 1.104 255 V CB 0.269 31.943 31.823 -0.248 0.000 0.913 255 V HN 0.630 nan 8.190 nan 0.000 0.432 256 G N 0.104 108.785 108.800 -0.199 0.000 2.203 256 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.231 256 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.231 256 G C -0.103 174.748 174.900 -0.081 0.000 1.058 256 G CA -0.083 44.935 45.100 -0.137 0.000 0.781 256 G HN 0.454 nan 8.290 nan 0.000 0.496 257 c N 0.715 119.274 118.600 -0.069 0.000 2.396 257 c HA 0.773 5.343 4.570 -0.000 0.000 0.321 257 c C -1.658 172.427 174.090 -0.008 0.000 1.233 257 c CA -1.134 55.174 56.329 -0.036 0.000 1.440 257 c CB 1.682 44.166 42.510 -0.043 0.000 2.110 257 c HN 0.465 nan 8.230 nan 0.000 0.473 266 D N 1.216 121.601 120.400 -0.025 0.000 2.219 266 D HA -0.047 4.593 4.640 -0.000 0.000 0.205 266 D C 1.511 177.788 176.300 -0.038 0.000 0.970 266 D CA 1.564 55.541 54.000 -0.037 0.000 0.851 266 D CB 0.337 41.114 40.800 -0.039 0.000 0.943 266 D HN 0.573 nan 8.370 nan 0.000 0.488 267 T N 0.959 115.499 114.554 -0.024 0.000 2.701 267 T HA -0.162 4.188 4.350 -0.000 0.000 0.263 267 T C 1.824 176.514 174.700 -0.015 0.000 1.040 267 T CA 1.497 63.587 62.100 -0.017 0.000 1.147 267 T CB -0.379 68.484 68.868 -0.008 0.000 0.865 267 T HN 0.463 nan 8.240 nan 0.000 0.426 268 E N 1.331 121.523 120.200 -0.014 0.000 2.204 268 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 268 E C 2.148 178.737 176.600 -0.018 0.000 0.989 268 E CA 0.568 56.962 56.400 -0.011 0.000 0.824 268 E CB -0.480 29.215 29.700 -0.008 0.000 0.756 268 E HN 0.284 nan 8.360 nan 0.000 0.477 269 L N 1.106 122.311 121.223 -0.030 0.000 2.017 269 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 269 L C 2.304 179.136 176.870 -0.062 0.000 1.073 269 L CA 1.413 56.227 54.840 -0.045 0.000 0.745 269 L CB -0.243 41.783 42.059 -0.055 0.000 0.894 269 L HN 0.100 nan 8.230 nan 0.000 0.432 270 V N -0.311 119.560 119.914 -0.072 0.000 2.488 270 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 270 V C 2.702 178.799 176.094 0.005 0.000 1.046 270 V CA 1.154 63.402 62.300 -0.087 0.000 1.053 270 V CB -1.255 30.506 31.823 -0.104 0.000 0.679 270 V HN 0.560 nan 8.190 nan 0.000 0.458 271 A N -0.118 122.708 122.820 0.009 0.000 1.849 271 A HA -0.344 3.976 4.320 -0.000 0.000 0.217 271 A C 2.491 180.093 177.584 0.031 0.000 1.202 271 A CA 2.414 54.468 52.037 0.027 0.000 0.629 271 A CB -1.440 17.568 19.000 0.014 0.000 0.834 271 A HN 0.615 nan 8.150 nan 0.000 0.447 272 c N -1.021 117.585 118.600 0.011 0.000 2.393 272 c HA -0.144 4.426 4.570 -0.000 0.000 0.276 272 c C 2.470 176.572 174.090 0.021 0.000 1.215 272 c CA 1.501 57.834 56.329 0.008 0.000 1.743 272 c CB -1.594 40.912 42.510 -0.008 0.000 2.044 272 c HN 0.562 nan 8.230 nan 0.000 0.464 273 L N 1.237 122.471 121.223 0.018 0.000 2.089 273 L HA -0.129 4.211 4.340 -0.000 0.000 0.213 273 L C 2.767 179.731 176.870 0.156 0.000 1.079 273 L CA 1.874 56.746 54.840 0.054 0.000 0.758 273 L CB -0.942 41.105 42.059 -0.020 0.000 0.891 273 L HN 0.399 nan 8.230 nan 0.000 0.433 274 R N -1.549 119.050 120.500 0.165 0.000 2.307 274 R HA -0.031 4.309 4.340 -0.000 0.000 0.199 274 R C 1.833 178.171 176.300 0.063 0.000 1.000 274 R CA 1.112 57.302 56.100 0.149 0.000 1.023 274 R CB -0.226 30.157 30.300 0.137 0.000 0.908 274 R HN 0.606 nan 8.270 nan 0.000 0.473 275 T N -1.938 112.645 114.554 0.049 0.000 3.057 275 T HA 0.119 4.469 4.350 -0.000 0.000 0.254 275 T C 0.947 175.659 174.700 0.021 0.000 1.094 275 T CA -0.194 61.922 62.100 0.026 0.000 1.088 275 T CB 0.233 69.112 68.868 0.018 0.000 0.934 275 T HN -0.147 nan 8.240 nan 0.000 0.497 276 R N 2.793 123.311 120.500 0.030 0.000 2.543 276 R HA 0.413 4.753 4.340 -0.000 0.000 0.277 276 R C -2.578 173.737 176.300 0.025 0.000 1.074 276 R CA -2.618 53.498 56.100 0.027 0.000 1.076 276 R CB -0.462 29.855 30.300 0.027 0.000 0.993 276 R HN 0.277 nan 8.270 nan 0.000 0.459 277 P HA -0.013 nan 4.420 nan 0.000 0.268 277 P C 0.262 177.561 177.300 -0.001 0.000 1.208 277 P CA 0.198 63.301 63.100 0.006 0.000 0.777 277 P CB 0.535 32.255 31.700 0.035 0.000 0.875 278 A N 2.137 124.878 122.820 -0.133 0.000 1.908 278 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 278 A C 2.141 179.716 177.584 -0.016 0.000 1.181 278 A CA 1.560 53.455 52.037 -0.238 0.000 0.627 278 A CB -1.194 17.040 19.000 -1.276 0.000 0.818 278 A HN 0.650 nan 8.150 nan 0.000 0.445 279 Q N -0.376 119.464 119.800 0.067 0.000 2.170 279 Q HA -0.115 4.225 4.340 -0.000 0.000 0.203 279 Q C 2.022 178.180 176.000 0.264 0.000 0.976 279 Q CA 1.607 57.609 55.803 0.331 0.000 0.858 279 Q CB -0.175 28.756 28.738 0.322 0.000 0.907 279 Q HN 0.473 nan 8.270 nan 0.000 0.433 280 V N 1.048 121.077 119.914 0.192 0.000 2.490 280 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 280 V C 2.230 178.484 176.094 0.266 0.000 1.061 280 V CA 1.307 63.736 62.300 0.214 0.000 1.064 280 V CB -0.398 31.510 31.823 0.140 0.000 0.670 280 V HN 0.381 nan 8.190 nan 0.000 0.461 281 L N -0.635 120.703 121.223 0.192 0.000 2.072 281 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 281 L C 2.419 179.406 176.870 0.195 0.000 1.079 281 L CA 1.037 55.951 54.840 0.125 0.000 0.752 281 L CB -0.536 41.483 42.059 -0.066 0.000 0.906 281 L HN 0.231 nan 8.230 nan 0.000 0.436 282 V N -0.303 119.792 119.914 0.302 0.000 2.515 282 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 282 V C 2.121 178.403 176.094 0.314 0.000 1.058 282 V CA 1.411 63.933 62.300 0.370 0.000 1.064 282 V CB -0.819 31.330 31.823 0.543 0.000 0.675 282 V HN 0.442 nan 8.190 nan 0.000 0.461 283 N N 0.479 119.331 118.700 0.254 0.000 2.137 283 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 283 N C 1.482 176.950 175.510 -0.069 0.000 1.017 283 N CA 1.574 54.674 53.050 0.084 0.000 0.859 283 N CB -0.345 38.109 38.487 -0.056 0.000 1.002 283 N HN 0.683 nan 8.380 nan 0.000 0.428 284 H N -0.967 118.155 119.070 0.088 0.000 2.542 284 H HA 0.208 4.764 4.556 -0.000 0.000 0.283 284 H C 1.320 176.706 175.328 0.096 0.000 1.059 284 H CA -0.172 55.820 56.048 -0.093 0.000 1.162 284 H CB 0.457 30.071 29.762 -0.245 0.000 1.539 284 H HN 0.304 nan 8.280 nan 0.000 0.543 285 E N 0.405 120.737 120.200 0.219 0.000 2.058 285 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 285 E C 0.674 177.225 176.600 -0.082 0.000 0.997 285 E CA 1.282 57.727 56.400 0.074 0.000 0.801 285 E CB 0.018 29.656 29.700 -0.103 0.000 0.746 285 E HN 0.587 nan 8.360 nan 0.000 0.450 286 W N -0.293 121.064 121.300 0.095 0.000 3.047 286 W HA 0.043 4.703 4.660 -0.000 0.000 0.250 286 W C 1.814 178.338 176.519 0.007 0.000 1.314 286 W CA 0.211 57.533 57.345 -0.039 0.000 1.540 286 W CB 0.091 29.442 29.460 -0.182 0.000 1.127 286 W HN 0.273 nan 8.180 nan 0.000 0.679 287 H N -0.488 118.663 119.070 0.135 0.000 2.423 287 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 287 H C 2.318 177.669 175.328 0.038 0.000 1.075 287 H CA 1.775 57.882 56.048 0.099 0.000 1.342 287 H CB -0.850 28.993 29.762 0.136 0.000 1.395 287 H HN 0.114 nan 8.280 nan 0.000 0.530 288 V N -1.490 118.491 119.914 0.111 0.000 3.573 288 V HA 0.094 4.214 4.120 -0.000 0.000 0.270 288 V C 0.647 176.691 176.094 -0.083 0.000 1.221 288 V CA -0.076 62.219 62.300 -0.008 0.000 1.163 288 V CB -0.823 30.948 31.823 -0.086 0.000 0.847 288 V HN 0.021 nan 8.190 nan 0.000 0.468 289 L N 2.263 123.449 121.223 -0.062 0.000 2.410 289 L HA 0.388 4.728 4.340 -0.000 0.000 0.273 289 L C -0.941 175.906 176.870 -0.038 0.000 1.144 289 L CA -1.706 53.092 54.840 -0.068 0.000 0.863 289 L CB 0.823 42.871 42.059 -0.019 0.000 1.140 289 L HN 0.083 nan 8.230 nan 0.000 0.463 290 P HA -0.189 nan 4.420 nan 0.000 0.219 290 P C -0.509 176.776 177.300 -0.026 0.000 1.144 290 P CA 0.853 63.933 63.100 -0.033 0.000 0.806 290 P CB 0.141 31.819 31.700 -0.036 0.000 0.771 291 Q N -3.523 116.259 119.800 -0.030 0.000 0.271 291 Q HA -0.098 4.242 4.340 -0.000 0.000 0.244 291 Q C -0.838 175.142 176.000 -0.032 0.000 1.092 291 Q CA -0.296 55.490 55.803 -0.028 0.000 0.231 291 Q CB -0.926 27.800 28.738 -0.021 0.000 5.629 291 Q HN 0.170 nan 8.270 nan 0.000 0.288 292 E N -1.297 118.883 120.200 -0.033 0.000 2.369 292 E HA -0.181 4.169 4.350 -0.000 0.000 0.165 292 E C -1.037 175.538 176.600 -0.042 0.000 1.622 292 E CA 1.525 57.905 56.400 -0.034 0.000 0.660 292 E CB -2.093 27.591 29.700 -0.026 0.000 1.085 292 E HN 0.757 nan 8.360 nan 0.000 0.346 293 S N -1.851 113.817 115.700 -0.054 0.000 2.565 293 S HA 0.623 5.093 4.470 -0.000 0.000 0.274 293 S C -0.777 173.767 174.600 -0.093 0.000 1.144 293 S CA -0.743 57.416 58.200 -0.069 0.000 0.849 293 S CB 2.530 65.685 63.200 -0.074 0.000 1.103 293 S HN 0.175 nan 8.310 nan 0.000 0.455 294 V N 2.869 122.723 119.914 -0.100 0.000 2.815 294 V HA 0.782 4.902 4.120 -0.000 0.000 0.314 294 V C -0.300 175.690 176.094 -0.175 0.000 1.064 294 V CA -0.335 61.885 62.300 -0.132 0.000 0.952 294 V CB 1.323 33.103 31.823 -0.071 0.000 1.020 294 V HN 1.348 nan 8.190 nan 0.000 0.439 295 F N 3.507 123.104 119.950 -0.589 0.000 3.056 295 F HA -0.156 4.371 4.527 -0.000 0.000 0.301 295 F C 0.045 175.316 175.800 -0.882 0.000 0.907 295 F CA 0.424 57.904 58.000 -0.866 0.000 1.113 295 F CB -0.472 38.038 39.000 -0.817 0.000 1.123 295 F HN 0.507 nan 8.300 nan 0.000 0.661 296 R N 0.694 120.653 120.500 -0.901 0.000 2.651 296 R HA 0.725 5.065 4.340 -0.000 0.000 0.278 296 R C -1.061 174.656 176.300 -0.973 0.000 1.010 296 R CA -0.618 55.029 56.100 -0.755 0.000 0.896 296 R CB 1.429 31.576 30.300 -0.256 0.000 1.211 296 R HN 0.060 nan 8.270 nan 0.000 0.456 297 F N -1.078 118.913 119.950 0.068 0.000 2.588 297 F HA 0.358 4.885 4.527 -0.000 0.000 0.310 297 F C 1.367 177.053 175.800 -0.190 0.000 1.082 297 F CA -0.879 57.085 58.000 -0.060 0.000 0.929 297 F CB 1.875 40.940 39.000 0.108 0.000 1.254 297 F HN 0.328 nan 8.300 nan 0.000 0.455 298 S N 0.411 115.946 115.700 -0.276 0.000 2.345 298 S HA -0.018 4.452 4.470 -0.000 0.000 0.220 298 S C -0.042 174.161 174.600 -0.661 0.000 1.031 298 S CA 1.129 58.976 58.200 -0.589 0.000 0.996 298 S CB -0.222 62.424 63.200 -0.923 0.000 0.882 298 S HN 0.358 nan 8.310 nan 0.000 0.445 299 F N 1.838 121.793 119.950 0.009 0.000 2.403 299 F HA 0.595 5.122 4.527 -0.000 0.000 0.355 299 F C -0.023 175.751 175.800 -0.043 0.000 1.119 299 F CA -1.151 56.877 58.000 0.047 0.000 1.007 299 F CB 1.283 40.357 39.000 0.123 0.000 1.194 299 F HN -0.079 nan 8.300 nan 0.000 0.443 300 V N 0.770 120.662 119.914 -0.037 0.000 3.160 300 V HA 0.763 4.883 4.120 -0.000 0.000 0.310 300 V C -2.886 172.940 176.094 -0.448 0.000 1.181 300 V CA -3.308 58.667 62.300 -0.542 0.000 1.047 300 V CB 2.027 33.691 31.823 -0.265 0.000 1.068 300 V HN 0.292 nan 8.190 nan 0.000 0.441 301 P HA 0.149 nan 4.420 nan 0.000 0.264 301 P C -0.312 176.885 177.300 -0.171 0.000 1.179 301 P CA 0.380 63.287 63.100 -0.321 0.000 0.763 301 P CB 0.228 31.628 31.700 -0.499 0.000 0.806 302 V N 1.489 121.361 119.914 -0.070 0.000 2.612 302 V HA 0.330 4.450 4.120 -0.000 0.000 0.301 302 V C 0.231 176.303 176.094 -0.037 0.000 1.046 302 V CA -0.878 61.397 62.300 -0.042 0.000 0.946 302 V CB 1.702 33.524 31.823 -0.001 0.000 1.003 302 V HN 0.161 nan 8.190 nan 0.000 0.459 303 V N 4.376 124.271 119.914 -0.030 0.000 2.287 303 V HA 0.144 4.264 4.120 -0.000 0.000 0.246 303 V C 0.811 176.909 176.094 0.007 0.000 1.165 303 V CA 0.305 62.600 62.300 -0.008 0.000 1.088 303 V CB -0.272 31.541 31.823 -0.017 0.000 1.242 303 V HN 1.138 nan 8.190 nan 0.000 0.497 304 D N 2.418 122.833 120.400 0.026 0.000 2.367 304 D HA 0.151 4.791 4.640 -0.000 0.000 0.207 304 D C 1.583 177.900 176.300 0.030 0.000 1.034 304 D CA 0.867 54.883 54.000 0.027 0.000 0.861 304 D CB 0.570 41.393 40.800 0.038 0.000 0.943 304 D HN 0.625 nan 8.370 nan 0.000 0.515 305 G N 0.589 109.411 108.800 0.037 0.000 2.217 305 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.246 305 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.246 305 G C 0.671 175.594 174.900 0.038 0.000 0.990 305 G CA 0.564 45.681 45.100 0.030 0.000 0.627 305 G HN 0.481 nan 8.290 nan 0.000 0.522 306 D N -0.568 119.868 120.400 0.060 0.000 2.296 306 D HA 0.203 4.843 4.640 -0.000 0.000 0.248 306 D C 2.018 178.373 176.300 0.093 0.000 1.162 306 D CA 0.762 54.802 54.000 0.067 0.000 0.956 306 D CB -0.506 40.342 40.800 0.080 0.000 1.011 306 D HN 0.179 nan 8.370 nan 0.000 0.404 307 F N 0.787 120.736 119.950 -0.002 0.000 2.091 307 F HA 0.038 4.565 4.527 -0.000 0.000 0.299 307 F C 0.587 176.380 175.800 -0.011 0.000 1.103 307 F CA 1.234 59.231 58.000 -0.004 0.000 1.228 307 F CB -0.029 38.962 39.000 -0.014 0.000 0.984 307 F HN -0.026 nan 8.300 nan 0.000 0.477 308 L N 0.330 121.744 121.223 0.319 0.000 2.307 308 L HA 0.228 4.568 4.340 -0.000 0.000 0.284 308 L C 1.287 178.206 176.870 0.082 0.000 1.023 308 L CA -0.087 54.858 54.840 0.175 0.000 0.810 308 L CB 1.741 43.894 42.059 0.157 0.000 1.231 308 L HN 0.054 nan 8.230 nan 0.000 0.423 309 S N -0.217 115.509 115.700 0.043 0.000 2.458 309 S HA 0.082 4.552 4.470 -0.000 0.000 0.223 309 S C 0.342 174.953 174.600 0.018 0.000 1.019 309 S CA 0.075 58.288 58.200 0.022 0.000 0.937 309 S CB 0.249 63.452 63.200 0.005 0.000 0.788 309 S HN 0.696 nan 8.310 nan 0.000 0.511 310 D N 0.994 121.407 120.400 0.021 0.000 2.732 310 D HA 0.371 5.011 4.640 -0.000 0.000 0.292 310 D C -0.752 175.555 176.300 0.012 0.000 1.135 310 D CA -0.170 53.837 54.000 0.013 0.000 1.071 310 D CB 1.837 42.643 40.800 0.009 0.000 1.457 310 D HN 0.217 nan 8.370 nan 0.000 0.547 311 T N -0.934 113.620 114.554 -0.000 0.000 2.930 311 T HA 0.254 4.604 4.350 -0.000 0.000 0.306 311 T C -1.811 172.885 174.700 -0.007 0.000 1.045 311 T CA -0.872 61.220 62.100 -0.014 0.000 1.134 311 T CB 1.175 70.027 68.868 -0.026 0.000 0.961 311 T HN 0.086 nan 8.240 nan 0.000 0.545 312 P HA -0.188 nan 4.420 nan 0.000 0.218 312 P C 1.398 178.700 177.300 0.003 0.000 1.152 312 P CA 1.432 64.528 63.100 -0.008 0.000 0.857 312 P CB 0.094 31.762 31.700 -0.054 0.000 0.787 313 E N -0.639 119.551 120.200 -0.017 0.000 2.077 313 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 313 E C 1.950 178.561 176.600 0.019 0.000 0.989 313 E CA 1.245 57.642 56.400 -0.005 0.000 0.800 313 E CB -0.544 29.143 29.700 -0.021 0.000 0.746 313 E HN 0.083 nan 8.360 nan 0.000 0.452 314 A N 1.034 123.863 122.820 0.014 0.000 1.902 314 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 314 A C 2.208 179.815 177.584 0.038 0.000 1.181 314 A CA 1.313 53.362 52.037 0.020 0.000 0.623 314 A CB -0.676 18.330 19.000 0.010 0.000 0.818 314 A HN 0.311 nan 8.150 nan 0.000 0.443 315 L N -0.619 120.633 121.223 0.048 0.000 2.027 315 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 315 L C 2.462 179.414 176.870 0.138 0.000 1.074 315 L CA 1.286 56.168 54.840 0.070 0.000 0.745 315 L CB -0.621 41.483 42.059 0.075 0.000 0.898 315 L HN 0.340 nan 8.230 nan 0.000 0.433 316 I N 0.387 121.057 120.570 0.167 0.000 2.315 316 I HA -0.314 3.856 4.170 -0.000 0.000 0.251 316 I C 2.036 178.303 176.117 0.251 0.000 1.125 316 I CA 1.157 62.610 61.300 0.256 0.000 1.392 316 I CB -0.423 37.641 38.000 0.108 0.000 1.065 316 I HN 0.388 nan 8.210 nan 0.000 0.424 317 N N 0.737 119.520 118.700 0.138 0.000 2.250 317 N HA -0.016 4.724 4.740 -0.000 0.000 0.181 317 N C 1.834 177.400 175.510 0.094 0.000 1.017 317 N CA 1.424 54.538 53.050 0.107 0.000 0.866 317 N CB -0.235 38.288 38.487 0.061 0.000 0.985 317 N HN 0.334 nan 8.380 nan 0.000 0.429 318 A N 0.749 123.606 122.820 0.062 0.000 1.878 318 A HA 0.273 4.593 4.320 -0.000 0.000 0.213 318 A C 1.418 178.974 177.584 -0.046 0.000 1.192 318 A CA 0.652 52.696 52.037 0.013 0.000 0.619 318 A CB -1.162 17.835 19.000 -0.004 0.000 0.837 318 A HN 0.254 nan 8.150 nan 0.000 0.446 319 G N 0.572 109.310 108.800 -0.103 0.000 2.238 319 G HA2 0.201 4.161 3.960 -0.000 0.000 0.234 319 G HA3 0.201 4.161 3.960 -0.000 0.000 0.234 319 G C -0.516 173.996 174.900 -0.646 0.000 1.181 319 G CA 0.517 45.335 45.100 -0.470 0.000 0.871 319 G HN 0.348 nan 8.290 nan 0.000 0.490 320 D N 0.835 120.861 120.400 -0.623 0.000 2.177 320 D HA 0.443 5.083 4.640 -0.000 0.000 0.247 320 D C -0.065 175.873 176.300 -0.603 0.000 1.063 320 D CA -0.764 52.995 54.000 -0.402 0.000 0.867 320 D CB 0.885 41.618 40.800 -0.112 0.000 1.168 320 D HN 0.152 nan 8.370 nan 0.000 0.445 321 F N 1.256 121.189 119.950 -0.029 0.000 2.775 321 F HA 0.162 4.689 4.527 -0.000 0.000 0.313 321 F C 0.769 176.525 175.800 -0.073 0.000 1.121 321 F CA -0.589 57.384 58.000 -0.045 0.000 1.206 321 F CB 0.007 38.975 39.000 -0.054 0.000 1.052 321 F HN 0.285 nan 8.300 nan 0.000 0.524 322 H N 0.466 119.601 119.070 0.109 0.000 2.972 322 H HA 0.258 4.814 4.556 -0.000 0.000 0.343 322 H C 1.374 176.735 175.328 0.056 0.000 1.054 322 H CA 1.407 57.498 56.048 0.071 0.000 1.412 322 H CB 0.724 30.505 29.762 0.031 0.000 1.385 322 H HN 0.496 nan 8.280 nan 0.000 0.600 323 G N 2.506 111.401 108.800 0.159 0.000 2.137 323 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.237 323 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.237 323 G C -0.084 174.860 174.900 0.073 0.000 1.002 323 G CA 0.031 45.187 45.100 0.093 0.000 0.702 323 G HN 0.519 nan 8.290 nan 0.000 0.515 324 L N -0.526 120.752 121.223 0.093 0.000 2.362 324 L HA 0.737 5.077 4.340 -0.000 0.000 0.271 324 L C -0.475 176.457 176.870 0.104 0.000 1.002 324 L CA -0.991 53.910 54.840 0.102 0.000 0.818 324 L CB 2.007 44.161 42.059 0.159 0.000 1.298 324 L HN 0.192 nan 8.230 nan 0.000 0.420 325 Q N 2.697 122.578 119.800 0.136 0.000 2.321 325 Q HA 0.627 4.967 4.340 -0.000 0.000 0.270 325 Q C -1.397 174.869 176.000 0.443 0.000 1.032 325 Q CA -0.403 55.538 55.803 0.231 0.000 0.784 325 Q CB 2.915 31.759 28.738 0.177 0.000 1.264 325 Q HN 0.305 nan 8.270 nan 0.000 0.448 326 V N 2.311 122.427 119.914 0.337 0.000 2.656 326 V HA 0.512 4.632 4.120 -0.000 0.000 0.307 326 V C -1.266 174.782 176.094 -0.077 0.000 1.051 326 V CA -0.910 61.510 62.300 0.201 0.000 0.893 326 V CB 1.918 33.782 31.823 0.069 0.000 0.999 326 V HN 0.605 nan 8.190 nan 0.000 0.426 327 L N 6.256 127.244 121.223 -0.391 0.000 2.298 327 L HA 0.780 5.120 4.340 -0.000 0.000 0.284 327 L C -0.354 176.427 176.870 -0.149 0.000 1.013 327 L CA -0.135 54.402 54.840 -0.504 0.000 0.824 327 L CB 1.496 42.865 42.059 -1.150 0.000 1.221 327 L HN 0.631 nan 8.230 nan 0.000 0.418 328 V N 2.321 122.197 119.914 -0.063 0.000 2.680 328 V HA 1.121 5.241 4.120 -0.000 0.000 0.309 328 V C -0.099 175.754 176.094 -0.403 0.000 1.052 328 V CA 0.131 62.361 62.300 -0.116 0.000 0.908 328 V CB 1.183 32.913 31.823 -0.156 0.000 1.001 328 V HN 0.938 nan 8.190 nan 0.000 0.431 329 G N 1.840 110.243 108.800 -0.662 0.000 2.559 329 G HA2 0.804 4.764 3.960 -0.000 0.000 0.291 329 G HA3 0.804 4.764 3.960 -0.000 0.000 0.291 329 G C -1.206 173.378 174.900 -0.527 0.000 1.424 329 G CA -0.033 44.161 45.100 -1.510 0.000 0.786 329 G HN 1.989 nan 8.290 nan 0.000 0.485 330 V N -2.290 117.465 119.914 -0.266 0.000 3.188 330 V HA 0.893 5.013 4.120 -0.000 0.000 0.305 330 V C 0.503 176.776 176.094 0.299 0.000 1.232 330 V CA -0.486 61.868 62.300 0.090 0.000 1.043 330 V CB 0.953 32.803 31.823 0.045 0.000 1.068 330 V HN 1.747 nan 8.190 nan 0.000 0.439 331 V N -0.771 119.328 119.914 0.307 0.000 3.441 331 V HA 0.533 4.653 4.120 -0.000 0.000 0.300 331 V C 1.334 177.609 176.094 0.303 0.000 1.062 331 V CA -0.104 62.426 62.300 0.383 0.000 1.064 331 V CB 0.858 32.881 31.823 0.334 0.000 1.197 331 V HN 1.027 nan 8.190 nan 0.000 0.451 332 K N -0.489 120.089 120.400 0.297 0.000 2.228 332 K HA 0.043 4.363 4.320 -0.000 0.000 0.202 332 K C -0.006 176.712 176.600 0.195 0.000 1.051 332 K CA 1.007 57.427 56.287 0.221 0.000 0.960 332 K CB 0.072 32.684 32.500 0.187 0.000 0.743 332 K HN 0.871 nan 8.250 nan 0.000 0.458 333 D N 1.382 121.903 120.400 0.202 0.000 2.443 333 D HA 0.064 4.704 4.640 -0.000 0.000 0.281 333 D C 0.404 176.831 176.300 0.212 0.000 1.210 333 D CA -0.141 53.971 54.000 0.186 0.000 0.875 333 D CB 1.426 42.315 40.800 0.148 0.000 1.125 333 D HN -0.007 nan 8.370 nan 0.000 0.503 334 E N 0.743 121.087 120.200 0.239 0.000 2.077 334 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 334 E C 1.963 178.769 176.600 0.343 0.000 0.989 334 E CA 0.714 57.304 56.400 0.316 0.000 0.800 334 E CB 0.128 29.997 29.700 0.283 0.000 0.746 334 E HN 0.456 nan 8.360 nan 0.000 0.452 335 G N 1.179 110.132 108.800 0.255 0.000 2.650 335 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.214 335 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.214 335 G C 1.702 176.720 174.900 0.197 0.000 1.136 335 G CA 0.955 46.210 45.100 0.258 0.000 0.789 335 G HN 0.355 nan 8.290 nan 0.000 0.536 336 S N 1.189 116.972 115.700 0.138 0.000 2.359 336 S HA -0.296 4.174 4.470 -0.000 0.000 0.222 336 S C 2.274 176.857 174.600 -0.028 0.000 1.038 336 S CA 1.800 60.055 58.200 0.092 0.000 1.051 336 S CB -0.932 62.272 63.200 0.006 0.000 0.944 336 S HN 0.758 nan 8.310 nan 0.000 0.433 337 Y N 0.926 121.019 120.300 -0.344 0.000 2.509 337 Y HA 0.277 4.827 4.550 -0.000 0.000 0.293 337 Y C 1.643 177.395 175.900 -0.246 0.000 1.133 337 Y CA 0.104 57.897 58.100 -0.513 0.000 1.283 337 Y CB -0.894 36.953 38.460 -1.023 0.000 1.001 337 Y HN 0.244 nan 8.280 nan 0.000 0.555 338 F N 0.622 120.215 119.950 -0.594 0.000 2.407 338 F HA -0.040 4.487 4.527 -0.000 0.000 0.299 338 F C 1.864 177.609 175.800 -0.092 0.000 1.097 338 F CA 0.686 58.415 58.000 -0.451 0.000 1.422 338 F CB -0.212 38.489 39.000 -0.499 0.000 1.067 338 F HN 0.091 nan 8.300 nan 0.000 0.539 339 L N 0.001 121.231 121.223 0.012 0.000 2.362 339 L HA -0.114 4.226 4.340 -0.000 0.000 0.219 339 L C 2.253 179.118 176.870 -0.008 0.000 1.134 339 L CA 0.596 55.314 54.840 -0.203 0.000 0.807 339 L CB -0.646 40.961 42.059 -0.754 0.000 0.927 339 L HN 0.182 nan 8.230 nan 0.000 0.447 340 V N -4.722 115.300 119.914 0.180 0.000 3.573 340 V HA -0.120 4.000 4.120 -0.000 0.000 0.270 340 V C 1.229 177.297 176.094 -0.042 0.000 1.221 340 V CA 0.702 63.117 62.300 0.191 0.000 1.163 340 V CB -1.023 30.988 31.823 0.313 0.000 0.847 340 V HN 0.310 nan 8.190 nan 0.000 0.468 341 Y N 1.253 121.585 120.300 0.052 0.000 2.571 341 Y HA 0.678 5.228 4.550 -0.000 0.000 0.275 341 Y C 1.721 177.594 175.900 -0.045 0.000 1.179 341 Y CA 0.396 58.486 58.100 -0.018 0.000 1.242 341 Y CB 0.863 39.295 38.460 -0.046 0.000 1.126 341 Y HN 0.423 nan 8.280 nan 0.000 0.524 342 G N -0.757 108.093 108.800 0.084 0.000 4.386 342 G HA2 0.096 4.056 3.960 -0.000 0.000 0.183 342 G HA3 0.096 4.056 3.960 -0.000 0.000 0.183 342 G C 0.056 174.991 174.900 0.058 0.000 1.226 342 G CA -0.304 44.824 45.100 0.045 0.000 0.926 342 G HN 0.242 nan 8.290 nan 0.000 0.306 343 A N 2.656 125.497 122.820 0.035 0.000 2.591 343 A HA 0.471 4.791 4.320 -0.000 0.000 0.244 343 A C -2.046 175.699 177.584 0.270 0.000 1.031 343 A CA 0.290 52.375 52.037 0.080 0.000 0.767 343 A CB -0.609 18.308 19.000 -0.138 0.000 0.942 343 A HN 0.218 nan 8.150 nan 0.000 0.514 344 P HA 0.331 nan 4.420 nan 0.000 0.267 344 P C 1.037 178.427 177.300 0.150 0.000 1.205 344 P CA 1.429 64.616 63.100 0.146 0.000 0.765 344 P CB 0.810 32.560 31.700 0.083 0.000 0.828 345 G N 1.717 110.549 108.800 0.054 0.000 2.194 345 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.236 345 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.236 345 G C -0.207 174.538 174.900 -0.258 0.000 0.987 345 G CA -0.587 44.441 45.100 -0.120 0.000 0.635 345 G HN 0.408 nan 8.290 nan 0.000 0.520 346 F N 2.273 122.200 119.950 -0.039 0.000 2.391 346 F HA 0.662 5.189 4.527 -0.000 0.000 0.359 346 F C 0.723 176.563 175.800 0.066 0.000 1.122 346 F CA 0.124 58.106 58.000 -0.030 0.000 1.120 346 F CB 1.927 40.954 39.000 0.045 0.000 1.142 346 F HN 0.293 nan 8.300 nan 0.000 0.483 347 S N 2.591 118.418 115.700 0.212 0.000 2.618 347 S HA 0.383 4.853 4.470 -0.000 0.000 0.277 347 S C 0.353 175.182 174.600 0.382 0.000 1.138 347 S CA -0.893 57.481 58.200 0.289 0.000 0.844 347 S CB 1.773 65.071 63.200 0.163 0.000 1.127 347 S HN 0.709 nan 8.310 nan 0.000 0.474 348 K N 0.219 120.815 120.400 0.326 0.000 2.432 348 K HA 0.147 4.467 4.320 -0.000 0.000 0.196 348 K C 0.145 176.790 176.600 0.075 0.000 1.038 348 K CA 0.994 57.439 56.287 0.264 0.000 0.986 348 K CB -0.165 32.291 32.500 -0.073 0.000 0.782 348 K HN 0.481 nan 8.250 nan 0.000 0.485 349 D N 0.808 121.195 120.400 -0.022 0.000 2.339 349 D HA 0.020 4.660 4.640 -0.000 0.000 0.217 349 D C -0.280 176.013 176.300 -0.011 0.000 1.050 349 D CA 0.260 54.215 54.000 -0.076 0.000 0.856 349 D CB 0.113 40.835 40.800 -0.130 0.000 0.922 349 D HN 0.535 nan 8.370 nan 0.000 0.518 350 N N -1.071 117.649 118.700 0.033 0.000 3.439 350 N HA 0.180 4.920 4.740 -0.000 0.000 0.343 350 N C 0.141 175.649 175.510 -0.004 0.000 1.597 350 N CA -0.622 52.425 53.050 -0.004 0.000 0.733 350 N CB 0.636 39.081 38.487 -0.069 0.000 1.973 350 N HN -0.319 nan 8.380 nan 0.000 0.646 351 E N -0.615 119.502 120.200 -0.139 0.000 2.463 351 E HA 0.176 4.526 4.350 -0.000 0.000 0.193 351 E C -0.620 175.559 176.600 -0.701 0.000 1.041 351 E CA -0.174 56.059 56.400 -0.278 0.000 0.879 351 E CB -0.099 29.532 29.700 -0.116 0.000 0.997 351 E HN 0.500 nan 8.360 nan 0.000 0.478 352 S N 0.827 116.126 115.700 -0.669 0.000 3.491 352 S HA -0.196 4.274 4.470 -0.000 0.000 0.371 352 S C 0.168 174.310 174.600 -0.764 0.000 0.980 352 S CA 0.238 57.916 58.200 -0.870 0.000 1.204 352 S CB -1.333 61.027 63.200 -1.400 0.000 0.915 352 S HN 0.345 nan 8.310 nan 0.000 0.482 353 L N 1.908 122.851 121.223 -0.466 0.000 2.462 353 L HA 0.310 4.650 4.340 -0.000 0.000 0.283 353 L C 0.848 177.538 176.870 -0.299 0.000 1.166 353 L CA -0.234 54.409 54.840 -0.329 0.000 0.964 353 L CB -0.180 41.751 42.059 -0.212 0.000 1.294 353 L HN 0.444 nan 8.230 nan 0.000 0.449 354 I N 0.012 120.384 120.570 -0.329 0.000 2.662 354 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 354 I C 0.938 176.985 176.117 -0.117 0.000 1.046 354 I CA -0.470 60.689 61.300 -0.236 0.000 1.361 354 I CB 1.013 38.883 38.000 -0.216 0.000 1.429 354 I HN 0.507 nan 8.210 nan 0.000 0.558 355 S N 3.130 118.789 115.700 -0.069 0.000 2.614 355 S HA 0.219 4.689 4.470 -0.000 0.000 0.265 355 S C 0.966 175.575 174.600 0.016 0.000 1.303 355 S CA -0.492 57.688 58.200 -0.032 0.000 1.000 355 S CB 1.283 64.472 63.200 -0.018 0.000 0.935 355 S HN 0.838 nan 8.310 nan 0.000 0.551 356 R N 0.936 121.440 120.500 0.007 0.000 2.200 356 R HA -0.022 4.318 4.340 -0.000 0.000 0.234 356 R C 1.846 178.227 176.300 0.136 0.000 1.127 356 R CA 1.732 57.855 56.100 0.038 0.000 0.989 356 R CB -1.118 29.181 30.300 -0.000 0.000 0.869 356 R HN 0.802 nan 8.270 nan 0.000 0.459 357 A N -0.357 122.518 122.820 0.092 0.000 2.044 357 A HA 0.072 4.392 4.320 -0.000 0.000 0.213 357 A C 1.744 179.384 177.584 0.093 0.000 1.169 357 A CA 0.688 52.779 52.037 0.089 0.000 0.724 357 A CB -0.082 18.949 19.000 0.052 0.000 0.840 357 A HN 0.457 nan 8.150 nan 0.000 0.463 358 E N -1.139 119.117 120.200 0.093 0.000 2.158 358 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 358 E C 1.578 178.270 176.600 0.155 0.000 0.982 358 E CA 0.858 57.314 56.400 0.094 0.000 0.823 358 E CB -0.211 29.518 29.700 0.048 0.000 0.766 358 E HN 0.649 nan 8.360 nan 0.000 0.468 359 F N 1.833 121.810 119.950 0.045 0.000 2.026 359 F HA -0.243 4.284 4.527 -0.000 0.000 0.296 359 F C 1.882 177.715 175.800 0.055 0.000 1.133 359 F CA 1.566 59.605 58.000 0.065 0.000 1.188 359 F CB -0.308 38.709 39.000 0.028 0.000 0.968 359 F HN -0.090 nan 8.300 nan 0.000 0.476 360 L N -0.027 121.256 121.223 0.100 0.000 2.129 360 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 360 L C 2.685 179.511 176.870 -0.072 0.000 1.087 360 L CA 1.212 56.042 54.840 -0.017 0.000 0.757 360 L CB -1.433 40.694 42.059 0.112 0.000 0.896 360 L HN 0.338 nan 8.230 nan 0.000 0.434 361 A N 0.281 123.087 122.820 -0.024 0.000 1.930 361 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 361 A C 2.425 179.979 177.584 -0.049 0.000 1.176 361 A CA 1.282 53.308 52.037 -0.019 0.000 0.632 361 A CB -0.906 18.104 19.000 0.017 0.000 0.819 361 A HN 0.407 nan 8.150 nan 0.000 0.445 362 G N -0.437 108.322 108.800 -0.069 0.000 2.402 362 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.216 362 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.216 362 G C 1.494 176.295 174.900 -0.165 0.000 1.162 362 G CA 1.083 46.133 45.100 -0.083 0.000 0.777 362 G HN 0.261 nan 8.290 nan 0.000 0.539 363 V N 1.149 120.896 119.914 -0.278 0.000 2.370 363 V HA -0.223 3.897 4.120 -0.000 0.000 0.252 363 V C 3.030 179.049 176.094 -0.127 0.000 1.068 363 V CA 2.019 64.171 62.300 -0.247 0.000 1.061 363 V CB -0.366 31.281 31.823 -0.294 0.000 0.656 363 V HN 0.275 nan 8.190 nan 0.000 0.455 364 R N -0.573 119.870 120.500 -0.095 0.000 2.148 364 R HA -0.042 4.298 4.340 -0.000 0.000 0.227 364 R C 2.054 178.320 176.300 -0.055 0.000 1.103 364 R CA 1.017 57.083 56.100 -0.056 0.000 0.983 364 R CB -1.146 29.131 30.300 -0.037 0.000 0.874 364 R HN 0.477 nan 8.270 nan 0.000 0.451 365 V N -0.042 119.833 119.914 -0.065 0.000 2.273 365 V HA -0.040 4.080 4.120 -0.000 0.000 0.242 365 V C 2.287 178.337 176.094 -0.073 0.000 1.035 365 V CA 2.015 64.278 62.300 -0.061 0.000 1.013 365 V CB -1.008 30.783 31.823 -0.054 0.000 0.652 365 V HN 0.389 nan 8.190 nan 0.000 0.452 366 G N -0.677 108.066 108.800 -0.095 0.000 2.625 366 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.214 366 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.214 366 G C 0.514 175.357 174.900 -0.095 0.000 1.132 366 G CA 0.687 45.727 45.100 -0.100 0.000 0.782 366 G HN 0.410 nan 8.290 nan 0.000 0.538 367 V N 2.699 122.558 119.914 -0.091 0.000 2.467 367 V HA 0.232 4.352 4.120 -0.000 0.000 0.260 367 V C -2.140 173.915 176.094 -0.065 0.000 0.963 367 V CA -1.570 60.657 62.300 -0.121 0.000 0.856 367 V CB 1.796 33.572 31.823 -0.078 0.000 1.087 367 V HN 0.050 nan 8.190 nan 0.000 0.467 368 P HA 0.009 nan 4.420 nan 0.000 0.269 368 P C -0.045 177.248 177.300 -0.012 0.000 1.217 368 P CA 0.141 63.227 63.100 -0.022 0.000 0.783 368 P CB 0.453 32.145 31.700 -0.013 0.000 0.898 369 Q N -0.945 118.847 119.800 -0.013 0.000 2.500 369 Q HA -0.164 4.176 4.340 -0.000 0.000 0.205 369 Q C -0.982 175.016 176.000 -0.004 0.000 1.300 369 Q CA 0.688 56.486 55.803 -0.009 0.000 0.759 369 Q CB -1.894 26.838 28.738 -0.009 0.000 0.868 369 Q HN 0.326 nan 8.270 nan 0.000 0.309 370 V N 2.074 121.986 119.914 -0.003 0.000 2.924 370 V HA 0.389 4.509 4.120 -0.000 0.000 0.300 370 V C 0.139 176.236 176.094 0.005 0.000 1.227 370 V CA 0.071 62.373 62.300 0.003 0.000 0.954 370 V CB 2.272 34.101 31.823 0.010 0.000 1.055 370 V HN 0.997 nan 8.190 nan 0.000 0.429 371 S N 3.694 119.396 115.700 0.004 0.000 2.563 371 S HA 0.027 4.497 4.470 -0.000 0.000 0.269 371 S C 0.777 175.388 174.600 0.018 0.000 1.364 371 S CA 0.653 58.858 58.200 0.007 0.000 1.010 371 S CB 0.443 63.645 63.200 0.002 0.000 0.877 371 S HN 0.809 nan 8.310 nan 0.000 0.549 372 D N 0.318 120.729 120.400 0.019 0.000 2.084 372 D HA -0.084 4.556 4.640 -0.000 0.000 0.194 372 D C 1.780 178.106 176.300 0.042 0.000 0.990 372 D CA 1.015 55.031 54.000 0.028 0.000 0.826 372 D CB -0.515 40.300 40.800 0.025 0.000 0.971 372 D HN 0.449 nan 8.370 nan 0.000 0.453 373 L N 0.639 121.887 121.223 0.042 0.000 2.189 373 L HA -0.112 4.228 4.340 -0.000 0.000 0.214 373 L C 1.925 178.847 176.870 0.086 0.000 1.097 373 L CA 1.439 56.315 54.840 0.060 0.000 0.764 373 L CB -0.791 41.298 42.059 0.050 0.000 0.900 373 L HN -0.014 nan 8.230 nan 0.000 0.436 374 A N -0.925 121.938 122.820 0.071 0.000 1.897 374 A HA 0.054 4.374 4.320 -0.000 0.000 0.215 374 A C 2.442 180.100 177.584 0.123 0.000 1.181 374 A CA 1.326 53.420 52.037 0.096 0.000 0.620 374 A CB -0.915 18.114 19.000 0.050 0.000 0.821 374 A HN 0.503 nan 8.150 nan 0.000 0.443 375 A N -0.101 122.768 122.820 0.082 0.000 1.930 375 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 375 A C 1.894 179.533 177.584 0.092 0.000 1.175 375 A CA 1.522 53.600 52.037 0.069 0.000 0.627 375 A CB -0.448 18.572 19.000 0.033 0.000 0.815 375 A HN 0.501 nan 8.150 nan 0.000 0.443 376 E N 0.108 120.370 120.200 0.103 0.000 2.070 376 E HA -0.244 4.106 4.350 -0.000 0.000 0.197 376 E C 2.333 179.018 176.600 0.140 0.000 1.004 376 E CA 1.415 57.890 56.400 0.126 0.000 0.805 376 E CB -0.562 29.203 29.700 0.108 0.000 0.744 376 E HN 0.604 nan 8.360 nan 0.000 0.451 377 A N 1.125 124.036 122.820 0.152 0.000 1.933 377 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 377 A C 2.628 180.183 177.584 -0.049 0.000 1.175 377 A CA 1.424 53.556 52.037 0.159 0.000 0.628 377 A CB -0.584 18.652 19.000 0.393 0.000 0.814 377 A HN 0.124 nan 8.150 nan 0.000 0.444 378 V N -0.421 119.491 119.914 -0.004 0.000 2.244 378 V HA -0.226 3.894 4.120 -0.000 0.000 0.244 378 V C 2.541 178.714 176.094 0.132 0.000 1.042 378 V CA 1.937 64.183 62.300 -0.090 0.000 1.006 378 V CB -1.062 30.782 31.823 0.035 0.000 0.641 378 V HN 0.347 nan 8.190 nan 0.000 0.446 379 V N 0.155 120.174 119.914 0.176 0.000 2.324 379 V HA -0.292 3.828 4.120 -0.000 0.000 0.250 379 V C 2.459 178.749 176.094 0.327 0.000 1.060 379 V CA 2.246 64.727 62.300 0.302 0.000 1.042 379 V CB -0.778 31.220 31.823 0.290 0.000 0.650 379 V HN 0.535 nan 8.190 nan 0.000 0.450 380 L N -0.023 121.377 121.223 0.294 0.000 2.042 380 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 380 L C 2.355 179.394 176.870 0.282 0.000 1.076 380 L CA 2.640 57.703 54.840 0.370 0.000 0.749 380 L CB -0.876 41.283 42.059 0.165 0.000 0.893 380 L HN 0.563 nan 8.230 nan 0.000 0.432 381 H N -2.589 116.455 119.070 -0.043 0.000 2.415 381 H HA -0.049 4.507 4.556 -0.000 0.000 0.297 381 H C 1.195 176.374 175.328 -0.248 0.000 1.048 381 H CA 1.539 57.441 56.048 -0.243 0.000 1.365 381 H CB -0.012 29.375 29.762 -0.626 0.000 1.421 381 H HN 0.434 nan 8.280 nan 0.000 0.533 382 Y N 0.145 120.485 120.300 0.067 0.000 2.457 382 Y HA 0.197 4.747 4.550 -0.000 0.000 0.263 382 Y C 0.257 176.107 175.900 -0.083 0.000 1.164 382 Y CA 0.023 58.178 58.100 0.091 0.000 1.274 382 Y CB 0.583 39.206 38.460 0.273 0.000 1.097 382 Y HN 0.046 nan 8.280 nan 0.000 0.523 383 T N 0.703 115.153 114.554 -0.174 0.000 2.799 383 T HA 0.061 4.411 4.350 -0.000 0.000 0.286 383 T C -0.652 173.608 174.700 -0.734 0.000 0.973 383 T CA -0.631 61.079 62.100 -0.651 0.000 1.035 383 T CB 0.803 68.904 68.868 -1.277 0.000 0.932 383 T HN -0.019 nan 8.240 nan 0.000 0.469 384 D N 1.900 121.967 120.400 -0.556 0.000 2.365 384 D HA 0.133 4.773 4.640 -0.000 0.000 0.237 384 D C -0.029 176.004 176.300 -0.445 0.000 1.190 384 D CA -0.689 53.091 54.000 -0.368 0.000 0.867 384 D CB 0.452 41.164 40.800 -0.146 0.000 1.050 384 D HN 0.606 nan 8.370 nan 0.000 0.491 385 W N 3.374 124.606 121.300 -0.114 0.000 3.077 385 W HA 0.010 4.670 4.660 -0.000 0.000 0.245 385 W C 1.718 178.135 176.519 -0.169 0.000 1.316 385 W CA -0.551 56.725 57.345 -0.115 0.000 1.537 385 W CB 0.267 29.670 29.460 -0.095 0.000 1.131 385 W HN 0.388 nan 8.180 nan 0.000 0.695 386 L N -0.306 120.830 121.223 -0.144 0.000 2.307 386 L HA 0.027 4.367 4.340 -0.000 0.000 0.211 386 L C 0.340 176.795 176.870 -0.693 0.000 1.099 386 L CA 1.656 56.230 54.840 -0.443 0.000 0.816 386 L CB -0.674 41.004 42.059 -0.635 0.000 0.952 386 L HN 0.102 nan 8.230 nan 0.000 0.455 387 H N -1.549 117.482 119.070 -0.066 0.000 2.712 387 H HA 0.279 4.835 4.556 -0.000 0.000 0.226 387 H C -1.828 173.395 175.328 -0.175 0.000 1.422 387 H CA -1.353 54.637 56.048 -0.097 0.000 1.270 387 H CB 0.393 30.099 29.762 -0.092 0.000 1.891 387 H HN 0.084 nan 8.280 nan 0.000 0.518 388 P HA -0.078 nan 4.420 nan 0.000 0.225 388 P C 1.119 178.297 177.300 -0.203 0.000 1.148 388 P CA 1.184 64.133 63.100 -0.252 0.000 0.779 388 P CB 0.601 32.224 31.700 -0.128 0.000 0.780 389 E N -1.505 118.631 120.200 -0.106 0.000 2.526 389 E HA 0.029 4.379 4.350 -0.000 0.000 0.208 389 E C 0.040 176.583 176.600 -0.096 0.000 0.997 389 E CA 0.001 56.346 56.400 -0.092 0.000 0.961 389 E CB -0.038 29.637 29.700 -0.041 0.000 1.030 389 E HN 0.189 nan 8.360 nan 0.000 0.483 390 D N 2.684 123.027 120.400 -0.094 0.000 2.368 390 D HA 0.005 4.645 4.640 -0.000 0.000 0.268 390 D C -1.671 174.557 176.300 -0.119 0.000 1.298 390 D CA -1.973 51.969 54.000 -0.096 0.000 0.938 390 D CB 1.271 42.012 40.800 -0.098 0.000 1.101 390 D HN -0.152 nan 8.370 nan 0.000 0.509 391 P HA -0.191 nan 4.420 nan 0.000 0.215 391 P C 1.046 178.279 177.300 -0.113 0.000 1.157 391 P CA 1.976 65.004 63.100 -0.121 0.000 0.874 391 P CB 0.097 31.723 31.700 -0.123 0.000 0.790 392 A N -0.381 122.383 122.820 -0.093 0.000 1.908 392 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 392 A C 2.325 179.891 177.584 -0.030 0.000 1.181 392 A CA 1.704 53.707 52.037 -0.057 0.000 0.627 392 A CB -1.148 17.826 19.000 -0.044 0.000 0.818 392 A HN 0.052 nan 8.150 nan 0.000 0.445 393 R N -0.818 119.645 120.500 -0.061 0.000 2.092 393 R HA 0.002 4.342 4.340 -0.000 0.000 0.231 393 R C 1.897 178.154 176.300 -0.072 0.000 1.119 393 R CA 1.342 57.407 56.100 -0.057 0.000 0.970 393 R CB -0.379 29.869 30.300 -0.087 0.000 0.864 393 R HN 0.548 nan 8.270 nan 0.000 0.440 394 L N -0.209 120.932 121.223 -0.137 0.000 2.291 394 L HA -0.063 4.277 4.340 -0.000 0.000 0.214 394 L C 2.597 179.543 176.870 0.126 0.000 1.120 394 L CA 0.649 55.387 54.840 -0.170 0.000 0.799 394 L CB -0.329 41.564 42.059 -0.277 0.000 0.925 394 L HN 0.144 nan 8.230 nan 0.000 0.446 395 R N 0.676 121.227 120.500 0.085 0.000 2.082 395 R HA -0.187 4.153 4.340 -0.000 0.000 0.228 395 R C 2.200 178.688 176.300 0.313 0.000 1.140 395 R CA 1.806 58.017 56.100 0.186 0.000 0.920 395 R CB -0.084 30.245 30.300 0.048 0.000 0.828 395 R HN 0.167 nan 8.270 nan 0.000 0.430 396 E N 0.269 120.614 120.200 0.241 0.000 2.097 396 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 396 E C 1.743 178.508 176.600 0.275 0.000 1.000 396 E CA 1.653 58.207 56.400 0.256 0.000 0.804 396 E CB -0.320 29.496 29.700 0.193 0.000 0.740 396 E HN 0.459 nan 8.360 nan 0.000 0.454 397 A N 0.242 123.224 122.820 0.271 0.000 1.883 397 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 397 A C 2.180 179.980 177.584 0.360 0.000 1.186 397 A CA 1.604 53.861 52.037 0.367 0.000 0.624 397 A CB -0.717 18.465 19.000 0.304 0.000 0.822 397 A HN 0.296 nan 8.150 nan 0.000 0.444 398 L N -0.594 120.869 121.223 0.400 0.000 2.217 398 L HA 0.011 4.351 4.340 -0.000 0.000 0.211 398 L C 2.562 179.486 176.870 0.090 0.000 1.107 398 L CA 1.936 56.885 54.840 0.183 0.000 0.783 398 L CB -0.316 41.865 42.059 0.204 0.000 0.919 398 L HN 0.357 nan 8.230 nan 0.000 0.442 399 S N -1.157 114.659 115.700 0.194 0.000 2.453 399 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 399 S C 1.583 176.280 174.600 0.162 0.000 1.005 399 S CA 1.281 59.591 58.200 0.183 0.000 0.949 399 S CB -0.248 63.125 63.200 0.288 0.000 0.774 399 S HN 0.520 nan 8.310 nan 0.000 0.510 400 D N 0.594 121.106 120.400 0.187 0.000 2.162 400 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 400 D C 2.138 178.500 176.300 0.104 0.000 0.964 400 D CA 0.765 54.906 54.000 0.236 0.000 0.847 400 D CB -0.536 40.526 40.800 0.438 0.000 0.988 400 D HN 0.242 nan 8.370 nan 0.000 0.480 401 V N 1.092 120.886 119.914 -0.200 0.000 2.250 401 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 401 V C 2.674 178.689 176.094 -0.132 0.000 1.060 401 V CA 1.361 63.446 62.300 -0.358 0.000 1.030 401 V CB -0.609 30.964 31.823 -0.416 0.000 0.643 401 V HN 0.053 nan 8.190 nan 0.000 0.445 402 V N 0.508 120.358 119.914 -0.106 0.000 2.307 402 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 402 V C 2.595 178.597 176.094 -0.153 0.000 1.045 402 V CA 2.112 64.337 62.300 -0.125 0.000 1.024 402 V CB -1.413 30.378 31.823 -0.054 0.000 0.651 402 V HN 0.626 nan 8.190 nan 0.000 0.449 403 G N 0.251 109.039 108.800 -0.020 0.000 2.545 403 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 403 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 403 G C 1.208 176.066 174.900 -0.069 0.000 1.218 403 G CA 1.263 46.376 45.100 0.022 0.000 0.787 403 G HN 0.531 nan 8.290 nan 0.000 0.571 404 D N -0.328 120.059 120.400 -0.022 0.000 2.144 404 D HA -0.074 4.566 4.640 -0.000 0.000 0.200 404 D C 2.064 178.108 176.300 -0.427 0.000 0.978 404 D CA 1.351 55.315 54.000 -0.061 0.000 0.833 404 D CB -0.531 40.414 40.800 0.241 0.000 0.961 404 D HN 0.480 nan 8.370 nan 0.000 0.470 405 H N 0.978 119.534 119.070 -0.858 0.000 2.357 405 H HA 0.031 4.587 4.556 -0.000 0.000 0.301 405 H C 1.501 176.407 175.328 -0.703 0.000 1.082 405 H CA 1.639 56.915 56.048 -1.288 0.000 1.342 405 H CB 0.055 28.935 29.762 -1.469 0.000 1.389 405 H HN -0.023 nan 8.280 nan 0.000 0.511 406 N N -0.763 117.470 118.700 -0.778 0.000 2.405 406 N HA 0.007 4.747 4.740 -0.000 0.000 0.175 406 N C 1.026 176.324 175.510 -0.354 0.000 1.051 406 N CA 1.015 53.562 53.050 -0.838 0.000 0.899 406 N CB 1.124 38.529 38.487 -1.804 0.000 1.000 406 N HN 0.269 nan 8.380 nan 0.000 0.451 407 V N -0.593 119.169 119.914 -0.253 0.000 3.658 407 V HA 0.048 4.168 4.120 -0.000 0.000 0.197 407 V C 2.038 178.112 176.094 -0.034 0.000 1.295 407 V CA 0.111 62.396 62.300 -0.025 0.000 1.298 407 V CB -0.145 31.730 31.823 0.085 0.000 1.347 407 V HN -0.206 nan 8.190 nan 0.000 0.548 408 V N -0.070 119.824 119.914 -0.034 0.000 2.688 408 V HA -0.267 3.853 4.120 -0.000 0.000 0.256 408 V C 2.242 178.316 176.094 -0.034 0.000 1.084 408 V CA 2.318 64.604 62.300 -0.023 0.000 1.103 408 V CB -0.734 31.099 31.823 0.017 0.000 0.688 408 V HN 0.699 nan 8.190 nan 0.000 0.480 409 c N -1.205 117.363 118.600 -0.053 0.000 2.558 409 c HA 0.133 4.703 4.570 -0.000 0.000 0.288 409 c C 0.376 174.444 174.090 -0.037 0.000 1.338 409 c CA 0.465 56.787 56.329 -0.011 0.000 1.760 409 c CB -1.061 41.472 42.510 0.039 0.000 2.159 409 c HN 0.465 nan 8.230 nan 0.000 0.518 410 P HA -0.048 nan 4.420 nan 0.000 0.216 410 P C 1.757 179.018 177.300 -0.066 0.000 1.153 410 P CA 1.272 64.319 63.100 -0.089 0.000 0.848 410 P CB -0.093 31.530 31.700 -0.129 0.000 0.787 411 V N 0.263 120.142 119.914 -0.059 0.000 2.307 411 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 411 V C 2.438 178.465 176.094 -0.111 0.000 1.045 411 V CA 2.318 64.572 62.300 -0.078 0.000 1.024 411 V CB -1.623 30.151 31.823 -0.081 0.000 0.651 411 V HN 0.081 nan 8.190 nan 0.000 0.449 412 A N -1.164 121.595 122.820 -0.102 0.000 1.969 412 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 412 A C 2.202 179.784 177.584 -0.004 0.000 1.169 412 A CA 1.976 53.954 52.037 -0.099 0.000 0.635 412 A CB -0.447 18.524 19.000 -0.048 0.000 0.810 412 A HN 0.625 nan 8.150 nan 0.000 0.445 413 Q N -0.773 119.028 119.800 0.001 0.000 1.990 413 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 413 Q C 2.047 178.051 176.000 0.007 0.000 0.980 413 Q CA 1.668 57.486 55.803 0.024 0.000 0.832 413 Q CB -0.304 28.441 28.738 0.011 0.000 0.897 413 Q HN 0.522 nan 8.270 nan 0.000 0.427 414 L N 1.055 122.258 121.223 -0.034 0.000 1.991 414 L HA -0.260 4.080 4.340 -0.000 0.000 0.221 414 L C 2.300 179.129 176.870 -0.070 0.000 1.079 414 L CA 2.671 57.471 54.840 -0.066 0.000 0.778 414 L CB -1.052 40.957 42.059 -0.084 0.000 0.893 414 L HN 0.320 nan 8.230 nan 0.000 0.437 415 A N -0.755 122.026 122.820 -0.065 0.000 1.917 415 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 415 A C 2.322 180.013 177.584 0.177 0.000 1.182 415 A CA 1.996 54.014 52.037 -0.033 0.000 0.633 415 A CB -1.660 17.166 19.000 -0.290 0.000 0.819 415 A HN 0.620 nan 8.150 nan 0.000 0.448 416 G N -1.512 107.425 108.800 0.229 0.000 2.403 416 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 416 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 416 G C 1.686 176.627 174.900 0.068 0.000 1.154 416 G CA 0.586 45.809 45.100 0.205 0.000 0.784 416 G HN 0.340 nan 8.290 nan 0.000 0.538 417 R N 0.156 120.673 120.500 0.028 0.000 2.092 417 R HA 0.171 4.511 4.340 -0.000 0.000 0.231 417 R C 2.619 178.890 176.300 -0.047 0.000 1.119 417 R CA 0.397 56.501 56.100 0.007 0.000 0.970 417 R CB -0.976 29.330 30.300 0.010 0.000 0.864 417 R HN 0.383 nan 8.270 nan 0.000 0.440 418 L N -0.134 120.983 121.223 -0.176 0.000 1.948 418 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 418 L C 2.541 179.339 176.870 -0.120 0.000 1.074 418 L CA 1.605 56.246 54.840 -0.333 0.000 0.753 418 L CB -0.935 40.890 42.059 -0.390 0.000 0.888 418 L HN 0.145 nan 8.230 nan 0.000 0.432 419 A N 0.254 123.042 122.820 -0.055 0.000 1.915 419 A HA -0.326 3.994 4.320 -0.000 0.000 0.220 419 A C 2.390 179.954 177.584 -0.034 0.000 1.198 419 A CA 2.412 54.429 52.037 -0.033 0.000 0.647 419 A CB -0.935 18.065 19.000 -0.001 0.000 0.825 419 A HN 0.512 nan 8.150 nan 0.000 0.456 420 A N -1.926 120.886 122.820 -0.012 0.000 2.121 420 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 420 A C 1.703 179.297 177.584 0.015 0.000 1.154 420 A CA 1.430 53.469 52.037 0.003 0.000 0.679 420 A CB -0.216 18.795 19.000 0.019 0.000 0.795 420 A HN 0.664 nan 8.150 nan 0.000 0.458 421 Q N -2.100 117.715 119.800 0.026 0.000 2.141 421 Q HA 0.392 4.732 4.340 -0.000 0.000 0.248 421 Q C 0.744 176.668 176.000 -0.126 0.000 0.834 421 Q CA 0.340 56.176 55.803 0.055 0.000 1.096 421 Q CB 0.897 29.781 28.738 0.243 0.000 1.189 421 Q HN 0.680 nan 8.270 nan 0.000 0.471 422 G N -0.050 108.554 108.800 -0.326 0.000 2.428 422 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.199 422 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.199 422 G C 0.310 175.057 174.900 -0.255 0.000 1.005 422 G CA -0.282 44.335 45.100 -0.805 0.000 0.671 422 G HN 0.465 nan 8.290 nan 0.000 0.485 423 A N 0.053 122.829 122.820 -0.074 0.000 2.313 423 A HA 0.806 5.126 4.320 -0.000 0.000 0.261 423 A C 0.450 178.008 177.584 -0.043 0.000 1.090 423 A CA 0.677 52.704 52.037 -0.016 0.000 0.807 423 A CB 0.566 19.549 19.000 -0.028 0.000 1.055 423 A HN 1.133 nan 8.150 nan 0.000 0.492 424 R N 0.645 121.127 120.500 -0.029 0.000 2.265 424 R HA 0.544 4.884 4.340 -0.000 0.000 0.328 424 R C -1.625 174.583 176.300 -0.154 0.000 0.969 424 R CA -0.094 55.944 56.100 -0.103 0.000 0.832 424 R CB 0.747 31.002 30.300 -0.075 0.000 1.139 424 R HN 0.437 nan 8.270 nan 0.000 0.457 425 V N 5.177 124.949 119.914 -0.236 0.000 2.581 425 V HA 0.507 4.627 4.120 -0.000 0.000 0.303 425 V C -0.986 174.891 176.094 -0.362 0.000 1.041 425 V CA -0.802 61.391 62.300 -0.177 0.000 0.907 425 V CB 1.432 33.256 31.823 0.001 0.000 0.994 425 V HN 0.651 nan 8.190 nan 0.000 0.442 426 Y N 1.732 122.013 120.300 -0.031 0.000 2.376 426 Y HA 0.786 5.336 4.550 -0.000 0.000 0.340 426 Y C 0.273 176.280 175.900 0.178 0.000 0.965 426 Y CA -0.579 57.501 58.100 -0.033 0.000 1.078 426 Y CB 2.195 40.280 38.460 -0.626 0.000 1.193 426 Y HN 0.799 nan 8.280 nan 0.000 0.452 427 A N 3.340 126.556 122.820 0.660 0.000 2.386 427 A HA 0.847 5.167 4.320 -0.000 0.000 0.311 427 A C -1.829 176.092 177.584 0.563 0.000 1.068 427 A CA -0.721 51.542 52.037 0.376 0.000 0.743 427 A CB 0.841 19.824 19.000 -0.029 0.000 1.258 427 A HN 0.732 nan 8.150 nan 0.000 0.429 428 Y N -0.733 119.768 120.300 0.335 0.000 2.545 428 Y HA 0.763 5.313 4.550 -0.000 0.000 0.348 428 Y C -1.186 174.849 175.900 0.226 0.000 1.002 428 Y CA -1.689 56.536 58.100 0.209 0.000 1.039 428 Y CB 1.294 39.871 38.460 0.195 0.000 1.271 428 Y HN 0.353 nan 8.280 nan 0.000 0.467 429 V N 3.989 124.179 119.914 0.459 0.000 2.378 429 V HA 0.244 4.364 4.120 -0.000 0.000 0.288 429 V C -0.941 175.450 176.094 0.495 0.000 1.016 429 V CA -0.660 61.883 62.300 0.405 0.000 0.840 429 V CB 1.004 33.026 31.823 0.332 0.000 0.994 429 V HN 0.752 nan 8.190 nan 0.000 0.431 430 F N 5.607 125.837 119.950 0.467 0.000 2.438 430 F HA 0.330 4.857 4.527 -0.000 0.000 0.360 430 F C 0.949 176.901 175.800 0.254 0.000 1.118 430 F CA -0.045 58.163 58.000 0.347 0.000 1.164 430 F CB 0.543 39.756 39.000 0.356 0.000 1.131 430 F HN 0.675 nan 8.300 nan 0.000 0.527 431 E N 4.470 124.624 120.200 -0.076 0.000 3.898 431 E HA 0.175 4.525 4.350 -0.000 0.000 0.219 431 E C -1.363 175.151 176.600 -0.145 0.000 1.207 431 E CA -0.659 55.736 56.400 -0.010 0.000 1.240 431 E CB 0.349 30.083 29.700 0.057 0.000 1.239 431 E HN 0.701 nan 8.360 nan 0.000 0.422 432 H N 0.721 119.552 119.070 -0.398 0.000 2.934 432 H HA 0.328 4.884 4.556 -0.000 0.000 0.340 432 H C -1.331 173.957 175.328 -0.068 0.000 1.008 432 H CA -0.685 55.141 56.048 -0.370 0.000 1.317 432 H CB 1.374 30.681 29.762 -0.759 0.000 1.670 432 H HN 0.205 nan 8.280 nan 0.000 0.516 433 R N 4.047 124.205 120.500 -0.571 0.000 2.234 433 R HA 0.569 4.909 4.340 -0.000 0.000 0.324 433 R C -0.492 175.625 176.300 -0.305 0.000 1.054 433 R CA -0.371 55.570 56.100 -0.265 0.000 0.912 433 R CB 0.443 30.634 30.300 -0.181 0.000 1.030 433 R HN 0.772 nan 8.270 nan 0.000 0.455 434 A N 3.109 126.021 122.820 0.153 0.000 2.567 434 A HA -0.023 4.297 4.320 -0.000 0.000 0.240 434 A C 1.365 179.010 177.584 0.101 0.000 1.053 434 A CA 0.617 52.886 52.037 0.385 0.000 0.755 434 A CB 0.286 19.588 19.000 0.503 0.000 0.978 434 A HN 1.014 nan 8.150 nan 0.000 0.507 435 S N 1.621 117.387 115.700 0.109 0.000 2.447 435 S HA -0.157 4.313 4.470 -0.000 0.000 0.233 435 S C 1.460 175.996 174.600 -0.107 0.000 1.006 435 S CA 1.669 59.862 58.200 -0.012 0.000 0.957 435 S CB -0.776 62.437 63.200 0.022 0.000 0.773 435 S HN 1.307 nan 8.310 nan 0.000 0.507 436 T N -0.609 113.824 114.554 -0.202 0.000 3.129 436 T HA 0.330 4.680 4.350 -0.000 0.000 0.251 436 T C 0.669 175.264 174.700 -0.175 0.000 1.117 436 T CA -0.456 61.473 62.100 -0.284 0.000 1.034 436 T CB -0.627 67.899 68.868 -0.571 0.000 0.968 436 T HN 0.396 nan 8.240 nan 0.000 0.526 437 L N 2.900 124.063 121.223 -0.099 0.000 2.573 437 L HA 0.061 4.401 4.340 -0.000 0.000 0.290 437 L C 1.360 178.161 176.870 -0.116 0.000 1.247 437 L CA 0.443 55.225 54.840 -0.097 0.000 0.876 437 L CB 0.684 42.691 42.059 -0.086 0.000 1.123 437 L HN 0.506 nan 8.230 nan 0.000 0.505 438 S N 1.344 116.948 115.700 -0.161 0.000 2.559 438 S HA 0.130 4.600 4.470 -0.000 0.000 0.226 438 S C -0.319 174.220 174.600 -0.101 0.000 1.000 438 S CA -0.872 57.224 58.200 -0.173 0.000 0.948 438 S CB 0.037 63.050 63.200 -0.311 0.000 0.870 438 S HN 0.541 nan 8.310 nan 0.000 0.497 439 W N 3.410 124.674 121.300 -0.060 0.000 2.359 439 W HA 0.528 5.188 4.660 -0.000 0.000 0.344 439 W C -2.179 174.254 176.519 -0.142 0.000 1.170 439 W CA -2.113 55.214 57.345 -0.030 0.000 1.296 439 W CB 0.055 29.415 29.460 -0.168 0.000 1.197 439 W HN -0.014 nan 8.180 nan 0.000 0.618 440 P HA -0.134 nan 4.420 nan 0.000 0.269 440 P C 0.534 177.755 177.300 -0.132 0.000 1.211 440 P CA -0.059 63.020 63.100 -0.034 0.000 0.781 440 P CB 0.815 32.513 31.700 -0.002 0.000 0.877 441 L N 2.049 123.263 121.223 -0.014 0.000 2.141 441 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 441 L C 2.279 179.169 176.870 0.033 0.000 1.094 441 L CA 1.213 56.056 54.840 0.004 0.000 0.763 441 L CB -1.459 40.632 42.059 0.053 0.000 0.908 441 L HN 0.570 nan 8.230 nan 0.000 0.437 442 W N -1.536 119.804 121.300 0.067 0.000 2.387 442 W HA -0.196 4.464 4.660 -0.000 0.000 0.272 442 W C 1.677 178.257 176.519 0.102 0.000 1.224 442 W CA 0.682 58.074 57.345 0.078 0.000 1.210 442 W CB -1.175 28.333 29.460 0.080 0.000 1.125 442 W HN 0.209 nan 8.180 nan 0.000 0.572 443 M N 1.162 120.448 119.600 -0.522 0.000 2.562 443 M HA 0.111 4.591 4.480 -0.000 0.000 0.257 443 M C 1.844 178.053 176.300 -0.152 0.000 1.099 443 M CA 1.555 56.551 55.300 -0.507 0.000 1.099 443 M CB -0.577 31.562 32.600 -0.768 0.000 1.427 443 M HN 0.197 nan 8.290 nan 0.000 0.489 444 G N 0.539 109.295 108.800 -0.074 0.000 2.561 444 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.289 444 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.289 444 G C -0.132 174.763 174.900 -0.008 0.000 1.169 444 G CA -0.121 44.976 45.100 -0.004 0.000 0.980 444 G HN 0.230 nan 8.290 nan 0.000 0.550 445 V N 3.765 123.716 119.914 0.061 0.000 2.270 445 V HA 0.486 4.606 4.120 -0.000 0.000 0.263 445 V C -1.838 174.359 176.094 0.171 0.000 1.066 445 V CA -0.737 61.645 62.300 0.136 0.000 0.857 445 V CB 1.085 33.042 31.823 0.223 0.000 1.099 445 V HN 0.542 nan 8.190 nan 0.000 0.476 446 P HA 0.241 nan 4.420 nan 0.000 0.278 446 P C -0.339 177.151 177.300 0.316 0.000 1.258 446 P CA -0.695 62.483 63.100 0.131 0.000 0.811 446 P CB 0.430 32.050 31.700 -0.135 0.000 1.063 447 H N 0.723 119.917 119.070 0.207 0.000 3.216 447 H HA 0.241 4.797 4.556 -0.000 0.000 0.283 447 H C 1.342 176.715 175.328 0.075 0.000 0.921 447 H CA 2.118 58.284 56.048 0.197 0.000 1.419 447 H CB -0.918 29.006 29.762 0.270 0.000 1.460 447 H HN 0.775 nan 8.280 nan 0.000 0.553 448 G N 3.803 112.400 108.800 -0.338 0.000 2.144 448 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 448 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 448 G C 0.074 174.790 174.900 -0.307 0.000 0.988 448 G CA 0.270 45.123 45.100 -0.411 0.000 0.659 448 G HN 0.649 nan 8.290 nan 0.000 0.522 449 Y N 0.567 120.904 120.300 0.062 0.000 2.636 449 Y HA 0.287 4.837 4.550 -0.000 0.000 0.260 449 Y C 2.004 177.933 175.900 0.049 0.000 1.177 449 Y CA 0.380 58.570 58.100 0.151 0.000 1.209 449 Y CB 0.597 39.187 38.460 0.216 0.000 1.166 449 Y HN 0.439 nan 8.280 nan 0.000 0.531 450 E N 0.005 120.045 120.200 -0.266 0.000 2.364 450 E HA -0.014 4.336 4.350 -0.000 0.000 0.196 450 E C 1.532 177.961 176.600 -0.284 0.000 0.990 450 E CA 0.556 56.389 56.400 -0.946 0.000 0.886 450 E CB -0.275 28.457 29.700 -1.612 0.000 0.866 450 E HN 0.517 nan 8.360 nan 0.000 0.493 451 I N 2.926 123.426 120.570 -0.116 0.000 2.091 451 I HA -0.335 3.835 4.170 -0.000 0.000 0.239 451 I C 2.655 178.724 176.117 -0.081 0.000 1.061 451 I CA 2.307 63.572 61.300 -0.058 0.000 1.317 451 I CB -0.623 37.348 38.000 -0.049 0.000 1.031 451 I HN 0.188 nan 8.210 nan 0.000 0.401 452 E N 0.941 121.058 120.200 -0.139 0.000 2.233 452 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 452 E C 2.022 178.414 176.600 -0.346 0.000 1.004 452 E CA 1.672 57.903 56.400 -0.282 0.000 0.819 452 E CB -0.586 28.931 29.700 -0.305 0.000 0.738 452 E HN 0.484 nan 8.360 nan 0.000 0.478 453 F N 1.036 120.923 119.950 -0.106 0.000 2.179 453 F HA -0.012 4.515 4.527 -0.000 0.000 0.292 453 F C 2.381 178.046 175.800 -0.227 0.000 1.089 453 F CA 0.389 58.317 58.000 -0.120 0.000 1.295 453 F CB -0.148 38.903 39.000 0.084 0.000 1.041 453 F HN -0.067 nan 8.300 nan 0.000 0.487 454 I N -0.352 120.160 120.570 -0.097 0.000 2.151 454 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 454 I C 1.991 177.982 176.117 -0.210 0.000 1.080 454 I CA 1.818 62.918 61.300 -0.334 0.000 1.339 454 I CB -1.389 36.366 38.000 -0.408 0.000 1.039 454 I HN 0.075 nan 8.210 nan 0.000 0.409 455 F N 1.008 120.792 119.950 -0.278 0.000 2.802 455 F HA 0.213 4.740 4.527 -0.000 0.000 0.300 455 F C 1.890 177.569 175.800 -0.202 0.000 1.168 455 F CA 0.605 58.470 58.000 -0.225 0.000 1.433 455 F CB -0.742 38.100 39.000 -0.262 0.000 1.115 455 F HN 0.295 nan 8.300 nan 0.000 0.582 456 G N 0.304 109.015 108.800 -0.149 0.000 2.203 456 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.263 456 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.263 456 G C 1.220 175.740 174.900 -0.633 0.000 1.012 456 G CA 0.513 45.440 45.100 -0.289 0.000 0.749 456 G HN 0.287 nan 8.290 nan 0.000 0.512 457 I N 0.592 120.801 120.570 -0.601 0.000 2.315 457 I HA -0.135 4.035 4.170 -0.000 0.000 0.251 457 I C 0.301 175.825 176.117 -0.989 0.000 1.125 457 I CA 1.743 62.573 61.300 -0.783 0.000 1.392 457 I CB -2.056 35.638 38.000 -0.511 0.000 1.065 457 I HN 0.143 nan 8.210 nan 0.000 0.424 458 P HA -0.139 nan 4.420 nan 0.000 0.222 458 P C 2.151 179.069 177.300 -0.637 0.000 1.142 458 P CA 1.107 63.456 63.100 -1.251 0.000 0.788 458 P CB -0.059 31.066 31.700 -0.958 0.000 0.767 459 L N -1.239 119.564 121.223 -0.701 0.000 2.156 459 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 459 L C 0.974 177.610 176.870 -0.390 0.000 1.095 459 L CA 0.636 55.175 54.840 -0.500 0.000 0.770 459 L CB -0.990 40.784 42.059 -0.474 0.000 0.914 459 L HN 0.006 nan 8.230 nan 0.000 0.439 460 D N 1.393 121.425 120.400 -0.613 0.000 2.479 460 D HA -0.051 4.589 4.640 -0.000 0.000 0.257 460 D C -1.403 174.868 176.300 -0.048 0.000 1.230 460 D CA -1.225 52.690 54.000 -0.142 0.000 0.912 460 D CB 1.070 41.816 40.800 -0.089 0.000 1.130 460 D HN 0.052 nan 8.370 nan 0.000 0.515 461 P HA -0.081 nan 4.420 nan 0.000 0.229 461 P C 0.831 178.143 177.300 0.020 0.000 1.160 461 P CA 0.503 63.613 63.100 0.018 0.000 0.777 461 P CB 0.086 31.803 31.700 0.027 0.000 0.814 462 S N -1.781 113.934 115.700 0.024 0.000 2.603 462 S HA 0.128 4.598 4.470 -0.000 0.000 0.220 462 S C 1.018 175.620 174.600 0.004 0.000 0.967 462 S CA -0.356 57.851 58.200 0.012 0.000 0.920 462 S CB -0.367 62.841 63.200 0.013 0.000 0.773 462 S HN 0.048 nan 8.310 nan 0.000 0.529 463 R N 0.814 121.329 120.500 0.025 0.000 2.758 463 R HA 0.423 4.763 4.340 -0.000 0.000 0.265 463 R C -0.780 175.548 176.300 0.047 0.000 1.016 463 R CA -0.489 55.634 56.100 0.040 0.000 1.040 463 R CB 0.470 30.855 30.300 0.142 0.000 1.152 463 R HN 0.264 nan 8.270 nan 0.000 0.503 464 N N 0.592 119.257 118.700 -0.058 0.000 2.671 464 N HA 0.137 4.877 4.740 -0.000 0.000 0.303 464 N C -1.294 174.138 175.510 -0.129 0.000 1.351 464 N CA -0.177 52.821 53.050 -0.086 0.000 0.991 464 N CB 0.295 38.709 38.487 -0.123 0.000 1.307 464 N HN 0.330 nan 8.380 nan 0.000 0.512 465 Y N 0.341 120.609 120.300 -0.053 0.000 2.316 465 Y HA 0.199 4.749 4.550 -0.000 0.000 0.324 465 Y C 1.711 177.614 175.900 0.005 0.000 1.267 465 Y CA -0.937 57.151 58.100 -0.020 0.000 1.311 465 Y CB 0.595 39.025 38.460 -0.050 0.000 1.267 465 Y HN 0.054 nan 8.280 nan 0.000 0.516 466 T N -1.666 113.010 114.554 0.202 0.000 2.754 466 T HA 0.422 4.772 4.350 -0.000 0.000 0.286 466 T C 1.213 175.982 174.700 0.115 0.000 0.997 466 T CA -0.219 61.955 62.100 0.124 0.000 0.982 466 T CB 1.025 69.957 68.868 0.107 0.000 1.027 466 T HN 0.755 nan 8.240 nan 0.000 0.529 467 A N 0.634 123.496 122.820 0.070 0.000 1.855 467 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 467 A C 2.223 179.841 177.584 0.057 0.000 1.191 467 A CA 1.686 53.754 52.037 0.052 0.000 0.613 467 A CB -1.170 17.850 19.000 0.032 0.000 0.829 467 A HN 0.984 nan 8.150 nan 0.000 0.442 468 E N -0.078 120.151 120.200 0.049 0.000 2.160 468 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 468 E C 1.934 178.574 176.600 0.066 0.000 0.991 468 E CA 1.458 57.876 56.400 0.029 0.000 0.810 468 E CB -0.204 29.487 29.700 -0.015 0.000 0.742 468 E HN 0.753 nan 8.360 nan 0.000 0.466 469 E N 0.954 121.232 120.200 0.129 0.000 2.047 469 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 469 E C 1.934 178.682 176.600 0.246 0.000 0.987 469 E CA 0.809 57.375 56.400 0.277 0.000 0.799 469 E CB 0.048 30.026 29.700 0.463 0.000 0.752 469 E HN 0.145 nan 8.360 nan 0.000 0.449 470 K N 0.493 120.961 120.400 0.114 0.000 2.113 470 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 470 K C 2.098 178.716 176.600 0.029 0.000 1.047 470 K CA 1.101 57.395 56.287 0.012 0.000 0.928 470 K CB -0.140 32.352 32.500 -0.012 0.000 0.716 470 K HN 0.152 nan 8.250 nan 0.000 0.446 471 I N 0.093 120.702 120.570 0.064 0.000 2.202 471 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 471 I C 2.183 178.357 176.117 0.095 0.000 1.091 471 I CA 0.882 62.215 61.300 0.056 0.000 1.368 471 I CB -0.237 37.796 38.000 0.054 0.000 1.058 471 I HN 0.051 nan 8.210 nan 0.000 0.410 472 F N 1.936 121.866 119.950 -0.033 0.000 2.063 472 F HA -0.355 4.172 4.527 -0.000 0.000 0.298 472 F C 2.479 178.284 175.800 0.008 0.000 1.109 472 F CA 1.633 59.605 58.000 -0.048 0.000 1.212 472 F CB -0.733 38.196 39.000 -0.120 0.000 0.973 472 F HN 0.054 nan 8.300 nan 0.000 0.480 473 A N -0.289 122.569 122.820 0.063 0.000 1.902 473 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 473 A C 2.143 179.640 177.584 -0.145 0.000 1.181 473 A CA 1.765 53.762 52.037 -0.066 0.000 0.623 473 A CB -0.903 18.060 19.000 -0.062 0.000 0.818 473 A HN 0.610 nan 8.150 nan 0.000 0.443 474 Q N -0.978 118.762 119.800 -0.100 0.000 1.985 474 Q HA -0.267 4.073 4.340 -0.000 0.000 0.207 474 Q C 2.402 178.309 176.000 -0.156 0.000 0.996 474 Q CA 1.939 57.680 55.803 -0.102 0.000 0.851 474 Q CB -0.313 28.387 28.738 -0.063 0.000 0.921 474 Q HN 0.688 nan 8.270 nan 0.000 0.418 475 R N 0.630 121.023 120.500 -0.178 0.000 2.113 475 R HA -0.206 4.134 4.340 -0.000 0.000 0.244 475 R C 2.242 178.251 176.300 -0.486 0.000 1.142 475 R CA 1.496 57.408 56.100 -0.314 0.000 0.953 475 R CB -0.312 29.862 30.300 -0.211 0.000 0.860 475 R HN 0.248 nan 8.270 nan 0.000 0.438 476 L N -0.215 120.803 121.223 -0.342 0.000 2.027 476 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 476 L C 2.670 179.492 176.870 -0.081 0.000 1.074 476 L CA 1.446 56.176 54.840 -0.183 0.000 0.745 476 L CB -0.272 41.549 42.059 -0.397 0.000 0.898 476 L HN 0.350 nan 8.230 nan 0.000 0.433 477 M N -0.899 118.607 119.600 -0.156 0.000 2.149 477 M HA -0.261 4.219 4.480 -0.000 0.000 0.261 477 M C 2.400 178.716 176.300 0.028 0.000 1.064 477 M CA 1.576 56.828 55.300 -0.080 0.000 1.102 477 M CB -0.367 32.169 32.600 -0.107 0.000 1.369 477 M HN 0.114 nan 8.290 nan 0.000 0.408 478 R N 0.085 120.552 120.500 -0.056 0.000 2.083 478 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 478 R C 1.773 178.131 176.300 0.096 0.000 1.137 478 R CA 2.014 58.088 56.100 -0.043 0.000 0.951 478 R CB -0.794 29.403 30.300 -0.173 0.000 0.851 478 R HN 0.289 nan 8.270 nan 0.000 0.434 479 Y N -0.765 119.664 120.300 0.215 0.000 2.081 479 Y HA -0.271 4.279 4.550 -0.000 0.000 0.280 479 Y C 2.334 178.433 175.900 0.331 0.000 1.163 479 Y CA 1.351 59.637 58.100 0.311 0.000 1.135 479 Y CB -0.947 37.833 38.460 0.532 0.000 0.970 479 Y HN 0.183 nan 8.280 nan 0.000 0.498 480 W N -0.538 120.867 121.300 0.174 0.000 2.355 480 W HA -0.210 4.450 4.660 -0.000 0.000 0.309 480 W C 2.620 179.178 176.519 0.064 0.000 1.206 480 W CA 1.154 58.556 57.345 0.094 0.000 1.284 480 W CB -0.557 28.910 29.460 0.012 0.000 1.145 480 W HN 0.074 nan 8.180 nan 0.000 0.502 481 A N 0.758 123.722 122.820 0.239 0.000 1.908 481 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 481 A C 1.597 179.225 177.584 0.074 0.000 1.181 481 A CA 2.106 54.203 52.037 0.101 0.000 0.627 481 A CB -1.332 17.703 19.000 0.058 0.000 0.818 481 A HN 0.449 nan 8.150 nan 0.000 0.445 482 N N -1.721 117.039 118.700 0.100 0.000 2.223 482 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 482 N C 1.498 177.024 175.510 0.027 0.000 1.016 482 N CA 1.351 54.436 53.050 0.057 0.000 0.863 482 N CB -0.240 38.295 38.487 0.080 0.000 0.983 482 N HN 0.557 nan 8.380 nan 0.000 0.429 483 F N 1.794 121.683 119.950 -0.102 0.000 2.113 483 F HA 0.011 4.538 4.527 -0.000 0.000 0.297 483 F C 2.264 178.005 175.800 -0.098 0.000 1.103 483 F CA 1.063 58.964 58.000 -0.166 0.000 1.248 483 F CB -0.427 38.397 39.000 -0.292 0.000 0.999 483 F HN -0.050 nan 8.300 nan 0.000 0.475 484 A N 0.708 123.464 122.820 -0.107 0.000 1.902 484 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 484 A C 2.354 179.833 177.584 -0.175 0.000 1.181 484 A CA 1.808 53.749 52.037 -0.159 0.000 0.623 484 A CB -0.706 18.266 19.000 -0.047 0.000 0.818 484 A HN 0.464 nan 8.150 nan 0.000 0.443 485 R N -1.189 119.241 120.500 -0.117 0.000 2.062 485 R HA -0.069 4.271 4.340 -0.000 0.000 0.229 485 R C 2.214 178.435 176.300 -0.130 0.000 1.128 485 R CA 1.892 57.934 56.100 -0.096 0.000 0.960 485 R CB -0.310 29.960 30.300 -0.051 0.000 0.855 485 R HN 0.727 nan 8.270 nan 0.000 0.432 486 T N -4.757 109.704 114.554 -0.157 0.000 2.959 486 T HA 0.217 4.567 4.350 -0.000 0.000 0.254 486 T C 1.099 175.682 174.700 -0.194 0.000 1.003 486 T CA 0.403 62.421 62.100 -0.135 0.000 0.950 486 T CB 1.200 70.023 68.868 -0.074 0.000 1.090 486 T HN 0.343 nan 8.240 nan 0.000 0.503 487 G N 1.445 110.007 108.800 -0.397 0.000 2.212 487 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.255 487 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.255 487 G C -0.458 174.402 174.900 -0.068 0.000 1.062 487 G CA 0.139 44.910 45.100 -0.548 0.000 0.815 487 G HN 0.869 nan 8.290 nan 0.000 0.497 488 D N -1.257 119.113 120.400 -0.050 0.000 2.726 488 D HA 0.385 5.025 4.640 -0.000 0.000 0.203 488 D C -1.846 174.327 176.300 -0.212 0.000 1.297 488 D CA -1.251 52.663 54.000 -0.144 0.000 0.863 488 D CB 1.471 42.238 40.800 -0.055 0.000 1.669 488 D HN -0.037 nan 8.370 nan 0.000 0.561 489 P HA 0.040 nan 4.420 nan 0.000 0.219 489 P C -0.035 177.290 177.300 0.042 0.000 1.154 489 P CA 0.520 63.479 63.100 -0.236 0.000 0.826 489 P CB -0.046 31.245 31.700 -0.682 0.000 0.795 490 N N 1.049 119.735 118.700 -0.024 0.000 2.514 490 N HA 0.076 4.816 4.740 -0.000 0.000 0.277 490 N C -0.293 175.285 175.510 0.113 0.000 1.126 490 N CA -0.691 52.468 53.050 0.182 0.000 0.978 490 N CB 0.464 39.080 38.487 0.213 0.000 1.106 490 N HN -0.096 nan 8.380 nan 0.000 0.461 491 E N 1.940 122.219 120.200 0.132 0.000 3.056 491 E HA -0.124 4.226 4.350 -0.000 0.000 0.264 491 E C -1.231 175.402 176.600 0.055 0.000 0.899 491 E CA -0.407 56.038 56.400 0.075 0.000 0.966 491 E CB 0.096 29.834 29.700 0.064 0.000 0.913 491 E HN 0.585 nan 8.360 nan 0.000 0.522 492 P HA -0.218 nan 4.420 nan 0.000 0.226 492 P C 0.426 177.746 177.300 0.034 0.000 1.154 492 P CA 1.838 64.954 63.100 0.027 0.000 0.901 492 P CB 0.205 31.916 31.700 0.019 0.000 0.788 493 R N -1.460 119.063 120.500 0.038 0.000 3.130 493 R HA 0.490 4.830 4.340 -0.000 0.000 0.261 493 R C -1.908 174.418 176.300 0.044 0.000 1.683 493 R CA 0.471 56.595 56.100 0.041 0.000 1.095 493 R CB -0.277 30.043 30.300 0.032 0.000 1.421 493 R HN -0.036 nan 8.270 nan 0.000 0.454 494 D N 4.464 124.898 120.400 0.056 0.000 2.386 494 D HA 0.493 5.133 4.640 -0.000 0.000 0.247 494 D C -2.849 173.489 176.300 0.063 0.000 1.336 494 D CA -1.300 52.734 54.000 0.057 0.000 0.976 494 D CB 1.948 42.785 40.800 0.063 0.000 1.257 494 D HN 0.331 nan 8.370 nan 0.000 0.570 495 P HA 0.472 nan 4.420 nan 0.000 0.287 495 P C -0.203 177.124 177.300 0.044 0.000 1.290 495 P CA -0.733 62.398 63.100 0.050 0.000 0.889 495 P CB 1.266 32.991 31.700 0.043 0.000 1.190 496 K N 0.106 120.531 120.400 0.042 0.000 3.100 496 K HA 0.425 4.745 4.320 -0.000 0.000 0.256 496 K C 0.162 176.794 176.600 0.054 0.000 1.146 496 K CA -0.247 56.066 56.287 0.044 0.000 1.233 496 K CB -0.583 31.939 32.500 0.036 0.000 1.226 496 K HN 0.416 nan 8.250 nan 0.000 0.442 497 A N 2.618 125.478 122.820 0.066 0.000 2.450 497 A HA 0.303 4.623 4.320 -0.000 0.000 0.255 497 A C -2.143 175.498 177.584 0.096 0.000 1.096 497 A CA -1.205 50.883 52.037 0.085 0.000 0.778 497 A CB -0.155 18.907 19.000 0.102 0.000 1.031 497 A HN 0.129 nan 8.150 nan 0.000 0.494 498 P HA 0.047 nan 4.420 nan 0.000 0.264 498 P C -0.480 176.897 177.300 0.128 0.000 1.183 498 P CA 0.238 63.392 63.100 0.090 0.000 0.763 498 P CB 0.390 32.130 31.700 0.067 0.000 0.807 499 Q N 1.558 121.437 119.800 0.131 0.000 2.267 499 Q HA 0.125 4.465 4.340 -0.000 0.000 0.255 499 Q C -0.606 175.542 176.000 0.247 0.000 0.923 499 Q CA -0.071 55.840 55.803 0.179 0.000 0.925 499 Q CB 0.915 29.745 28.738 0.153 0.000 1.195 499 Q HN 0.540 nan 8.270 nan 0.000 0.417 500 W N 6.996 128.331 121.300 0.058 0.000 2.433 500 W HA 0.316 4.976 4.660 -0.000 0.000 0.331 500 W C -2.519 174.111 176.519 0.186 0.000 1.110 500 W CA -2.492 54.892 57.345 0.066 0.000 1.450 500 W CB 0.162 29.591 29.460 -0.051 0.000 1.348 500 W HN 0.409 nan 8.180 nan 0.000 0.415 501 P HA 0.335 nan 4.420 nan 0.000 0.278 501 P C -2.636 174.976 177.300 0.520 0.000 1.258 501 P CA -1.707 61.665 63.100 0.454 0.000 0.811 501 P CB 0.461 32.331 31.700 0.282 0.000 1.063 502 P HA 0.149 nan 4.420 nan 0.000 0.279 502 P C -0.874 176.477 177.300 0.085 0.000 1.239 502 P CA -0.250 62.774 63.100 -0.126 0.000 0.789 502 P CB 0.145 31.650 31.700 -0.326 0.000 0.933 503 Y N 2.991 123.295 120.300 0.006 0.000 2.526 503 Y HA 0.265 4.815 4.550 -0.000 0.000 0.330 503 Y C 0.596 176.495 175.900 -0.002 0.000 1.156 503 Y CA 0.833 58.972 58.100 0.065 0.000 1.419 503 Y CB 0.329 38.841 38.460 0.087 0.000 1.250 503 Y HN 0.431 nan 8.280 nan 0.000 0.540 504 T N 1.669 115.914 114.554 -0.516 0.000 2.907 504 T HA 0.656 5.006 4.350 -0.000 0.000 0.290 504 T C 0.747 175.118 174.700 -0.548 0.000 1.066 504 T CA -0.464 61.408 62.100 -0.379 0.000 1.012 504 T CB 1.471 70.227 68.868 -0.187 0.000 1.184 504 T HN 0.698 nan 8.240 nan 0.000 0.522 505 A N 0.661 123.325 122.820 -0.260 0.000 1.933 505 A HA 0.269 4.589 4.320 -0.000 0.000 0.218 505 A C 2.048 179.545 177.584 -0.144 0.000 1.175 505 A CA 1.861 53.797 52.037 -0.167 0.000 0.628 505 A CB -1.492 17.476 19.000 -0.055 0.000 0.814 505 A HN 1.072 nan 8.150 nan 0.000 0.444 506 G N -1.044 107.682 108.800 -0.123 0.000 2.624 506 G HA2 0.204 4.164 3.960 -0.000 0.000 0.216 506 G HA3 0.204 4.164 3.960 -0.000 0.000 0.216 506 G C 1.787 176.638 174.900 -0.083 0.000 1.274 506 G CA 1.056 46.113 45.100 -0.071 0.000 0.856 506 G HN 0.780 nan 8.290 nan 0.000 0.555 507 A N -0.384 122.385 122.820 -0.085 0.000 1.958 507 A HA -0.131 4.189 4.320 -0.000 0.000 0.221 507 A C 1.505 179.054 177.584 -0.059 0.000 1.178 507 A CA 2.266 54.272 52.037 -0.052 0.000 0.642 507 A CB -0.629 18.348 19.000 -0.038 0.000 0.816 507 A HN 0.634 nan 8.150 nan 0.000 0.453 508 Q N -1.024 118.637 119.800 -0.232 0.000 2.463 508 Q HA -0.191 4.149 4.340 -0.000 0.000 0.299 508 Q C -0.782 175.334 176.000 0.194 0.000 1.353 508 Q CA 0.715 56.350 55.803 -0.280 0.000 0.828 508 Q CB -1.516 27.244 28.738 0.037 0.000 1.157 508 Q HN 0.895 nan 8.270 nan 0.000 0.436 509 Q N 0.484 120.391 119.800 0.179 0.000 2.293 509 Q HA 0.482 4.822 4.340 -0.000 0.000 0.251 509 Q C -0.271 176.072 176.000 0.571 0.000 0.930 509 Q CA 0.034 56.027 55.803 0.316 0.000 0.893 509 Q CB 0.656 29.505 28.738 0.186 0.000 1.215 509 Q HN 0.354 nan 8.270 nan 0.000 0.425 510 Y N -1.833 118.615 120.300 0.247 0.000 2.644 510 Y HA 0.720 5.270 4.550 -0.000 0.000 0.338 510 Y C -0.990 174.905 175.900 -0.007 0.000 1.119 510 Y CA -1.551 56.659 58.100 0.183 0.000 1.060 510 Y CB 0.526 39.069 38.460 0.138 0.000 1.294 510 Y HN 0.375 nan 8.280 nan 0.000 0.472 511 V N -0.530 119.270 119.914 -0.190 0.000 2.815 511 V HA 0.849 4.969 4.120 -0.000 0.000 0.314 511 V C -0.393 175.585 176.094 -0.192 0.000 1.064 511 V CA -0.593 61.455 62.300 -0.419 0.000 0.952 511 V CB 1.400 32.707 31.823 -0.861 0.000 1.020 511 V HN 1.197 nan 8.190 nan 0.000 0.439 512 S N 3.429 119.028 115.700 -0.168 0.000 2.461 512 S HA 0.626 5.096 4.470 -0.000 0.000 0.322 512 S C -0.446 174.125 174.600 -0.048 0.000 1.063 512 S CA -0.625 57.562 58.200 -0.022 0.000 1.120 512 S CB 0.160 63.354 63.200 -0.010 0.000 0.968 512 S HN 0.741 nan 8.310 nan 0.000 0.467 513 L N 4.791 126.011 121.223 -0.006 0.000 2.407 513 L HA 0.403 4.743 4.340 -0.000 0.000 0.282 513 L C 0.012 176.882 176.870 -0.001 0.000 1.110 513 L CA -0.020 54.836 54.840 0.028 0.000 0.863 513 L CB -0.524 41.564 42.059 0.048 0.000 1.207 513 L HN 0.782 nan 8.230 nan 0.000 0.454 514 D N 1.973 122.381 120.400 0.013 0.000 2.921 514 D HA 0.208 4.848 4.640 -0.000 0.000 0.329 514 D C 0.574 176.574 176.300 -0.501 0.000 1.293 514 D CA -0.781 53.003 54.000 -0.360 0.000 0.964 514 D CB 0.660 41.313 40.800 -0.245 0.000 1.435 514 D HN 0.115 nan 8.370 nan 0.000 0.548 515 L N -1.043 119.755 121.223 -0.708 0.000 2.362 515 L HA 0.067 4.407 4.340 -0.000 0.000 0.219 515 L C 1.383 178.137 176.870 -0.193 0.000 1.134 515 L CA 0.623 55.143 54.840 -0.534 0.000 0.807 515 L CB -0.377 41.394 42.059 -0.480 0.000 0.927 515 L HN 0.071 nan 8.230 nan 0.000 0.447 516 R N 0.113 120.532 120.500 -0.135 0.000 2.707 516 R HA 0.195 4.535 4.340 -0.000 0.000 0.270 516 R C -2.034 174.263 176.300 -0.006 0.000 1.083 516 R CA -1.682 54.384 56.100 -0.056 0.000 1.182 516 R CB -0.105 30.166 30.300 -0.049 0.000 1.084 516 R HN -0.128 nan 8.270 nan 0.000 0.528 517 P HA -0.035 nan 4.420 nan 0.000 0.271 517 P C -0.356 176.963 177.300 0.032 0.000 1.244 517 P CA -0.103 63.026 63.100 0.047 0.000 0.793 517 P CB 0.390 32.113 31.700 0.038 0.000 0.984 518 L N 0.795 122.047 121.223 0.048 0.000 2.578 518 L HA -0.008 4.332 4.340 -0.000 0.000 0.279 518 L C 1.026 177.867 176.870 -0.049 0.000 1.227 518 L CA 0.928 55.753 54.840 -0.025 0.000 0.900 518 L CB -0.317 41.725 42.059 -0.028 0.000 1.144 518 L HN 0.467 nan 8.230 nan 0.000 0.496 519 E N 2.485 122.627 120.200 -0.098 0.000 2.222 519 E HA 0.432 4.782 4.350 -0.000 0.000 0.267 519 E C -1.463 175.038 176.600 -0.166 0.000 0.884 519 E CA -0.757 55.583 56.400 -0.099 0.000 0.764 519 E CB 2.194 31.844 29.700 -0.084 0.000 1.169 519 E HN 0.295 nan 8.360 nan 0.000 0.413 520 V N 5.319 125.149 119.914 -0.140 0.000 2.370 520 V HA 0.447 4.567 4.120 -0.000 0.000 0.279 520 V C 0.127 176.079 176.094 -0.237 0.000 1.029 520 V CA -0.674 61.517 62.300 -0.182 0.000 0.870 520 V CB 0.935 32.714 31.823 -0.074 0.000 0.984 520 V HN 0.583 nan 8.190 nan 0.000 0.451 521 R N 4.140 124.352 120.500 -0.480 0.000 2.787 521 R HA 0.687 5.027 4.340 -0.000 0.000 0.271 521 R C -0.655 175.462 176.300 -0.305 0.000 0.993 521 R CA -0.892 54.916 56.100 -0.487 0.000 0.993 521 R CB 2.167 31.971 30.300 -0.826 0.000 1.155 521 R HN 0.602 nan 8.270 nan 0.000 0.486 522 R N -0.145 120.360 120.500 0.009 0.000 2.514 522 R HA 0.528 4.868 4.340 -0.000 0.000 0.301 522 R C -0.273 176.247 176.300 0.367 0.000 0.962 522 R CA -0.415 55.805 56.100 0.200 0.000 0.882 522 R CB 1.951 32.321 30.300 0.115 0.000 1.143 522 R HN 0.905 nan 8.270 nan 0.000 0.452 523 G N 2.284 111.349 108.800 0.441 0.000 3.391 523 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.683 523 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.683 523 G C -1.055 173.990 174.900 0.242 0.000 1.071 523 G CA -0.983 44.310 45.100 0.321 0.000 0.904 523 G HN 0.355 nan 8.290 nan 0.000 0.452 524 L N 3.030 124.286 121.223 0.056 0.000 2.422 524 L HA 0.598 4.938 4.340 -0.000 0.000 0.256 524 L C 1.290 178.144 176.870 -0.027 0.000 1.202 524 L CA -0.378 54.335 54.840 -0.212 0.000 1.119 524 L CB -0.312 41.589 42.059 -0.264 0.000 1.383 524 L HN 0.906 nan 8.230 nan 0.000 0.411 525 R N 1.830 122.356 120.500 0.043 0.000 3.336 525 R HA -0.249 4.091 4.340 -0.000 0.000 0.260 525 R C 1.319 177.704 176.300 0.141 0.000 1.032 525 R CA 0.771 56.940 56.100 0.114 0.000 0.693 525 R CB -1.514 28.859 30.300 0.121 0.000 1.134 525 R HN 0.647 nan 8.270 nan 0.000 0.433 526 A N -0.099 122.803 122.820 0.137 0.000 1.972 526 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 526 A C 1.743 179.414 177.584 0.144 0.000 1.169 526 A CA 1.446 53.567 52.037 0.141 0.000 0.635 526 A CB -0.172 18.910 19.000 0.137 0.000 0.810 526 A HN 0.529 nan 8.150 nan 0.000 0.446 527 Q N -0.662 119.228 119.800 0.149 0.000 2.096 527 Q HA 0.051 4.391 4.340 -0.000 0.000 0.197 527 Q C 2.435 178.548 176.000 0.188 0.000 0.964 527 Q CA 1.395 57.295 55.803 0.162 0.000 0.838 527 Q CB -0.787 28.042 28.738 0.151 0.000 0.906 527 Q HN 0.623 nan 8.270 nan 0.000 0.444 528 A N 0.593 123.531 122.820 0.197 0.000 1.902 528 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 528 A C 2.489 180.225 177.584 0.252 0.000 1.181 528 A CA 1.485 53.592 52.037 0.118 0.000 0.623 528 A CB -0.968 18.200 19.000 0.280 0.000 0.818 528 A HN 0.448 nan 8.150 nan 0.000 0.443 529 c N -0.985 117.786 118.600 0.285 0.000 2.432 529 c HA 0.134 4.704 4.570 -0.000 0.000 0.280 529 c C 3.229 177.463 174.090 0.240 0.000 1.353 529 c CA 0.492 57.008 56.329 0.312 0.000 1.766 529 c CB -1.329 41.308 42.510 0.212 0.000 1.924 529 c HN 0.695 nan 8.230 nan 0.000 0.509 530 A N -0.161 122.767 122.820 0.180 0.000 2.019 530 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 530 A C 1.837 179.511 177.584 0.149 0.000 1.164 530 A CA 1.454 53.578 52.037 0.145 0.000 0.644 530 A CB -0.682 18.392 19.000 0.124 0.000 0.805 530 A HN 0.584 nan 8.150 nan 0.000 0.449 531 F N -0.974 118.950 119.950 -0.045 0.000 2.084 531 F HA -0.102 4.425 4.527 -0.000 0.000 0.296 531 F C 1.945 177.703 175.800 -0.071 0.000 1.111 531 F CA 1.542 59.455 58.000 -0.145 0.000 1.224 531 F CB -0.571 38.119 39.000 -0.517 0.000 0.991 531 F HN 0.351 nan 8.300 nan 0.000 0.471 532 W N 0.734 122.002 121.300 -0.054 0.000 2.388 532 W HA -0.156 4.504 4.660 0.000 0.000 0.294 532 W C 2.213 178.658 176.519 -0.124 0.000 1.212 532 W CA 1.048 58.310 57.345 -0.139 0.000 1.271 532 W CB -0.423 29.100 29.460 0.106 0.000 1.126 532 W HN 0.017 nan 8.180 nan 0.000 0.535 533 N N -0.785 118.020 118.700 0.174 0.000 2.349 533 N HA -0.007 4.733 4.740 -0.000 0.000 0.180 533 N C 1.810 177.346 175.510 0.044 0.000 1.024 533 N CA 0.832 53.944 53.050 0.104 0.000 0.869 533 N CB -0.452 38.102 38.487 0.112 0.000 1.022 533 N HN -0.003 nan 8.380 nan 0.000 0.433 534 R N -0.073 120.461 120.500 0.057 0.000 2.052 534 R HA 0.099 4.439 4.340 -0.000 0.000 0.224 534 R C 1.917 178.244 176.300 0.045 0.000 1.149 534 R CA 0.658 56.794 56.100 0.061 0.000 0.962 534 R CB -0.844 29.517 30.300 0.100 0.000 0.856 534 R HN 0.229 nan 8.270 nan 0.000 0.433 535 F N 1.011 120.887 119.950 -0.124 0.000 2.220 535 F HA -0.021 4.506 4.527 -0.000 0.000 0.290 535 F C 2.082 177.740 175.800 -0.235 0.000 1.080 535 F CA 0.363 58.277 58.000 -0.142 0.000 1.318 535 F CB -0.437 38.514 39.000 -0.081 0.000 1.063 535 F HN -0.134 nan 8.300 nan 0.000 0.498 536 L N 1.905 122.827 121.223 -0.501 0.000 2.051 536 L HA -0.136 4.204 4.340 -0.000 0.000 0.214 536 L C -0.996 175.636 176.870 -0.397 0.000 1.076 536 L CA 2.375 56.859 54.840 -0.595 0.000 0.758 536 L CB -1.940 39.699 42.059 -0.701 0.000 0.890 536 L HN 0.029 nan 8.230 nan 0.000 0.433 537 P HA -0.127 nan 4.420 nan 0.000 0.221 537 P C 1.340 178.512 177.300 -0.212 0.000 1.150 537 P CA 1.400 64.393 63.100 -0.178 0.000 0.800 537 P CB -0.007 31.631 31.700 -0.104 0.000 0.787 538 K N -0.885 119.334 120.400 -0.302 0.000 2.217 538 K HA -0.033 4.287 4.320 -0.000 0.000 0.202 538 K C 1.924 178.318 176.600 -0.343 0.000 1.051 538 K CA 0.693 56.806 56.287 -0.289 0.000 0.952 538 K CB -0.494 31.828 32.500 -0.297 0.000 0.736 538 K HN 0.153 nan 8.250 nan 0.000 0.453 539 L N 0.716 121.642 121.223 -0.495 0.000 2.068 539 L HA -0.071 4.269 4.340 -0.000 0.000 0.204 539 L C 1.907 178.656 176.870 -0.203 0.000 1.076 539 L CA 0.913 55.519 54.840 -0.390 0.000 0.753 539 L CB 0.005 41.775 42.059 -0.481 0.000 0.910 539 L HN 0.132 nan 8.230 nan 0.000 0.439 540 L N -1.038 120.076 121.223 -0.182 0.000 2.131 540 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 540 L C 2.746 179.564 176.870 -0.086 0.000 1.092 540 L CA 1.208 55.985 54.840 -0.106 0.000 0.759 540 L CB -0.600 41.407 42.059 -0.086 0.000 0.903 540 L HN 0.318 nan 8.230 nan 0.000 0.435 541 S N -0.206 115.433 115.700 -0.102 0.000 2.383 541 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 541 S C 2.024 176.585 174.600 -0.065 0.000 1.030 541 S CA 1.478 59.632 58.200 -0.077 0.000 1.002 541 S CB 0.026 63.176 63.200 -0.082 0.000 0.829 541 S HN 0.482 nan 8.310 nan 0.000 0.467 542 A N 0.499 123.273 122.820 -0.077 0.000 1.903 542 A HA 0.036 4.356 4.320 -0.000 0.000 0.213 542 A C 2.373 179.932 177.584 -0.042 0.000 1.185 542 A CA 1.746 53.749 52.037 -0.056 0.000 0.628 542 A CB -1.334 17.629 19.000 -0.062 0.000 0.830 542 A HN 0.714 nan 8.150 nan 0.000 0.446 543 T N -2.100 112.426 114.554 -0.046 0.000 2.962 543 T HA -0.117 4.233 4.350 -0.000 0.000 0.270 543 T C 1.141 175.826 174.700 -0.025 0.000 1.088 543 T CA 1.660 63.742 62.100 -0.029 0.000 1.127 543 T CB -0.369 68.483 68.868 -0.027 0.000 0.883 543 T HN 0.303 nan 8.240 nan 0.000 0.493 544 D N 2.159 122.541 120.400 -0.031 0.000 2.137 544 D HA 0.006 4.646 4.640 -0.000 0.000 0.202 544 D C 1.769 178.056 176.300 -0.021 0.000 0.970 544 D CA 1.497 55.482 54.000 -0.025 0.000 0.837 544 D CB -0.516 40.267 40.800 -0.028 0.000 0.981 544 D HN 0.618 nan 8.370 nan 0.000 0.475 545 T N -0.640 113.900 114.554 -0.024 0.000 3.535 545 T HA 0.206 4.556 4.350 -0.000 0.000 0.238 545 T C 0.880 175.570 174.700 -0.016 0.000 0.909 545 T CA -0.021 62.067 62.100 -0.019 0.000 0.928 545 T CB -0.486 68.370 68.868 -0.020 0.000 1.134 545 T HN 0.031 nan 8.240 nan 0.000 0.627 546 L N 0.320 121.535 121.223 -0.014 0.000 3.393 546 L HA 0.432 4.772 4.340 -0.000 0.000 0.319 546 L C -0.944 175.921 176.870 -0.008 0.000 1.309 546 L CA -0.156 54.678 54.840 -0.010 0.000 0.962 546 L CB 0.396 42.450 42.059 -0.009 0.000 1.391 546 L HN 0.251 nan 8.230 nan 0.000 0.607 547 D N 0.000 120.394 120.400 -0.009 0.000 6.856 547 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 547 D CA 0.000 53.995 54.000 -0.008 0.000 0.868 547 D CB 0.000 40.794 40.800 -0.009 0.000 0.688 547 D HN 0.000 nan 8.370 nan 0.000 0.683