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 2f5z_1_G DATA FIRST_RESID 3 DATA SEQUENCE QPIDADVTVI GSGPGGYVAA IKAAQLGFKT VCIEKNETLG GTcLNVGcIP DATA SEQUENCE SKALLNNSHY YHMAHGTDFA SRGIEMSEVR LNLDKMMEQK STAVKALTGG DATA SEQUENCE IAHLFKQNKV VHVNGYGKIT GKNQVTATKA DGGTQVIDTK NILIATGSEV DATA SEQUENCE TPFPGITIDE DTIVSSTGAL SLKKVPEKMV VIGAGVIGVE LGSVWQRLGA DATA SEQUENCE DVTAVEFLGH VGGVGIDMEI SKNFQRILQK QGFKFKLNTK VTGATKKSDG DATA SEQUENCE KIDVSIEAAS GGKAEVITCD VLLVCIGRRP FTKNLGLEEL GIELDPRGRI DATA SEQUENCE PVNTRFQTKI PNIYAIGDVV AGPMLAHKAE DEGIICVEGM AGGAVHIDYN DATA SEQUENCE CVPSVIYTHP EVAWVGKSEE QLKEEGIEYK VGKFPFAANS RAKTNADTDG DATA SEQUENCE MVKILGQKST DRVLGAHILG PGAGEMVNEA ALALEYGASC EDIARVCHAH DATA SEQUENCE PTLSEAFREA NLAASFGKSI NF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.003 176.000 0.006 0.000 1.003 3 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 3 Q CB 0.000 28.740 28.738 0.004 0.000 1.108 4 P HA 0.599 nan 4.420 nan 0.000 0.277 4 P C -0.400 176.904 177.300 0.007 0.000 1.276 4 P CA -0.567 62.538 63.100 0.008 0.000 0.788 4 P CB 1.373 33.078 31.700 0.009 0.000 1.114 5 I N -0.730 119.844 120.570 0.007 0.000 2.865 5 I HA 0.335 4.505 4.170 -0.000 0.000 0.302 5 I C -1.467 174.653 176.117 0.006 0.000 1.140 5 I CA -0.897 60.407 61.300 0.006 0.000 1.021 5 I CB 2.444 40.447 38.000 0.004 0.000 1.233 5 I HN 0.184 nan 8.210 nan 0.000 0.427 6 D N 5.501 125.905 120.400 0.006 0.000 2.299 6 D HA 0.824 5.464 4.640 -0.000 0.000 0.243 6 D C -0.887 175.417 176.300 0.007 0.000 0.982 6 D CA -0.276 53.728 54.000 0.008 0.000 0.924 6 D CB 2.089 42.896 40.800 0.010 0.000 1.238 6 D HN 0.762 nan 8.370 nan 0.000 0.484 7 A N 0.518 123.342 122.820 0.007 0.000 2.608 7 A HA 0.387 4.707 4.320 -0.000 0.000 0.292 7 A C -0.363 177.225 177.584 0.007 0.000 1.066 7 A CA -0.614 51.426 52.037 0.006 0.000 0.676 7 A CB 1.276 20.270 19.000 -0.010 0.000 1.277 7 A HN 0.331 nan 8.150 nan 0.000 0.413 8 D N -0.418 119.995 120.400 0.022 0.000 2.183 8 D HA 0.160 4.800 4.640 -0.000 0.000 0.205 8 D C 0.307 176.539 176.300 -0.114 0.000 0.962 8 D CA 1.694 55.701 54.000 0.012 0.000 0.849 8 D CB 0.344 41.243 40.800 0.164 0.000 0.978 8 D HN 0.274 nan 8.370 nan 0.000 0.488 9 V N 0.616 120.453 119.914 -0.130 0.000 2.623 9 V HA 0.327 4.447 4.120 -0.000 0.000 0.304 9 V C -0.475 175.550 176.094 -0.115 0.000 1.054 9 V CA -0.634 61.548 62.300 -0.197 0.000 0.882 9 V CB 2.290 33.903 31.823 -0.350 0.000 1.002 9 V HN -0.155 nan 8.190 nan 0.000 0.424 10 T N 4.014 118.514 114.554 -0.090 0.000 2.815 10 T HA 0.536 4.886 4.350 -0.000 0.000 0.289 10 T C -0.366 174.305 174.700 -0.049 0.000 1.000 10 T CA -0.387 61.679 62.100 -0.056 0.000 0.958 10 T CB 1.482 70.335 68.868 -0.024 0.000 0.944 10 T HN 0.345 nan 8.240 nan 0.000 0.442 11 V N 5.127 125.009 119.914 -0.053 0.000 2.439 11 V HA 0.470 4.590 4.120 -0.000 0.000 0.282 11 V C 0.069 176.162 176.094 -0.000 0.000 1.039 11 V CA -0.801 61.479 62.300 -0.033 0.000 0.913 11 V CB 1.227 33.024 31.823 -0.042 0.000 0.983 11 V HN 0.796 nan 8.190 nan 0.000 0.460 12 I N 4.472 125.051 120.570 0.015 0.000 2.328 12 I HA 0.729 4.899 4.170 -0.000 0.000 0.287 12 I C 0.618 176.753 176.117 0.029 0.000 1.012 12 I CA -0.093 61.222 61.300 0.026 0.000 1.195 12 I CB 1.178 39.198 38.000 0.032 0.000 1.350 12 I HN 0.883 nan 8.210 nan 0.000 0.464 13 G N 3.837 112.655 108.800 0.030 0.000 2.906 13 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 13 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 13 G C -0.173 174.767 174.900 0.068 0.000 1.170 13 G CA -0.291 44.828 45.100 0.032 0.000 0.775 13 G HN 0.747 nan 8.290 nan 0.000 0.630 14 S N 1.006 116.748 115.700 0.070 0.000 2.624 14 S HA 0.638 5.108 4.470 -0.000 0.000 0.246 14 S C 1.136 175.821 174.600 0.141 0.000 1.072 14 S CA 0.664 58.945 58.200 0.135 0.000 1.045 14 S CB 0.619 63.860 63.200 0.069 0.000 0.851 14 S HN 1.903 nan 8.310 nan 0.000 0.480 15 G N 2.127 110.996 108.800 0.115 0.000 2.535 15 G HA2 0.480 4.440 3.960 -0.000 0.000 0.282 15 G HA3 0.480 4.440 3.960 -0.000 0.000 0.282 15 G C -1.673 173.350 174.900 0.205 0.000 1.350 15 G CA -1.838 43.335 45.100 0.122 0.000 1.039 15 G HN 0.152 nan 8.290 nan 0.000 0.509 16 P HA -0.190 nan 4.420 nan 0.000 0.219 16 P C 1.984 179.204 177.300 -0.133 0.000 1.158 16 P CA 2.225 65.347 63.100 0.038 0.000 0.895 16 P CB 0.011 31.728 31.700 0.028 0.000 0.792 17 G N -1.003 107.757 108.800 -0.066 0.000 2.414 17 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.215 17 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.215 17 G C 1.797 176.637 174.900 -0.100 0.000 1.188 17 G CA 0.938 45.977 45.100 -0.103 0.000 0.783 17 G HN 0.371 nan 8.290 nan 0.000 0.537 18 G N 0.492 109.282 108.800 -0.018 0.000 2.453 18 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.215 18 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.215 18 G C 1.735 176.691 174.900 0.093 0.000 1.201 18 G CA 1.463 46.581 45.100 0.029 0.000 0.784 18 G HN 0.601 nan 8.290 nan 0.000 0.545 19 Y N 1.042 121.406 120.300 0.106 0.000 2.207 19 Y HA -0.051 4.499 4.550 0.000 0.000 0.287 19 Y C 2.445 178.461 175.900 0.194 0.000 1.156 19 Y CA 1.459 59.702 58.100 0.240 0.000 1.182 19 Y CB -0.796 37.693 38.460 0.050 0.000 0.979 19 Y HN 0.027 nan 8.280 nan 0.000 0.521 20 V N 1.213 120.755 119.914 -0.620 0.000 2.453 20 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 20 V C 2.861 178.849 176.094 -0.177 0.000 1.048 20 V CA 1.631 63.637 62.300 -0.489 0.000 1.049 20 V CB -1.397 30.084 31.823 -0.571 0.000 0.672 20 V HN 0.649 nan 8.190 nan 0.000 0.457 21 A N 0.073 122.804 122.820 -0.148 0.000 1.898 21 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 21 A C 2.427 179.974 177.584 -0.062 0.000 1.181 21 A CA 1.964 53.935 52.037 -0.110 0.000 0.620 21 A CB -0.714 18.210 19.000 -0.127 0.000 0.819 21 A HN 0.541 nan 8.150 nan 0.000 0.442 22 A N 0.057 122.860 122.820 -0.028 0.000 1.877 22 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 22 A C 2.132 179.701 177.584 -0.025 0.000 1.186 22 A CA 1.579 53.581 52.037 -0.058 0.000 0.620 22 A CB -0.634 18.290 19.000 -0.127 0.000 0.822 22 A HN 0.487 nan 8.150 nan 0.000 0.443 23 I N -0.835 119.782 120.570 0.078 0.000 2.226 23 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 23 I C 2.543 178.687 176.117 0.045 0.000 1.100 23 I CA 1.848 63.208 61.300 0.101 0.000 1.374 23 I CB -0.168 37.943 38.000 0.184 0.000 1.057 23 I HN 0.254 nan 8.210 nan 0.000 0.413 24 K N 1.471 121.883 120.400 0.019 0.000 2.057 24 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 24 K C 2.046 178.677 176.600 0.053 0.000 1.050 24 K CA 1.618 57.914 56.287 0.015 0.000 0.935 24 K CB -0.400 32.092 32.500 -0.013 0.000 0.715 24 K HN 0.269 nan 8.250 nan 0.000 0.439 25 A N 0.683 123.548 122.820 0.074 0.000 1.865 25 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 25 A C 2.403 180.104 177.584 0.196 0.000 1.191 25 A CA 2.314 54.483 52.037 0.221 0.000 0.623 25 A CB -1.299 17.760 19.000 0.099 0.000 0.826 25 A HN 0.420 nan 8.150 nan 0.000 0.444 26 A N -0.626 122.241 122.820 0.079 0.000 1.873 26 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 26 A C 2.098 179.685 177.584 0.005 0.000 1.193 26 A CA 1.838 53.895 52.037 0.033 0.000 0.629 26 A CB -0.808 18.190 19.000 -0.003 0.000 0.826 26 A HN 0.667 nan 8.150 nan 0.000 0.447 27 Q N -0.706 119.098 119.800 0.007 0.000 2.297 27 Q HA -0.049 4.291 4.340 -0.000 0.000 0.208 27 Q C 1.722 177.694 176.000 -0.047 0.000 0.981 27 Q CA 1.003 56.798 55.803 -0.012 0.000 0.876 27 Q CB -0.278 28.462 28.738 0.002 0.000 0.921 27 Q HN 0.671 nan 8.270 nan 0.000 0.446 28 L N -1.211 119.974 121.223 -0.062 0.000 2.558 28 L HA 0.095 4.435 4.340 -0.000 0.000 0.225 28 L C 1.130 177.803 176.870 -0.328 0.000 1.128 28 L CA 0.557 55.296 54.840 -0.169 0.000 0.868 28 L CB 0.191 42.161 42.059 -0.147 0.000 1.006 28 L HN 0.445 nan 8.230 nan 0.000 0.454 29 G N -0.752 107.906 108.800 -0.237 0.000 2.184 29 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.206 29 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.206 29 G C -0.011 174.747 174.900 -0.236 0.000 0.995 29 G CA -0.659 44.292 45.100 -0.247 0.000 0.651 29 G HN 0.085 nan 8.290 nan 0.000 0.511 30 F N 1.490 121.416 119.950 -0.039 0.000 2.396 30 F HA 0.509 5.036 4.527 -0.000 0.000 0.343 30 F C 0.960 176.732 175.800 -0.047 0.000 1.104 30 F CA -0.765 57.209 58.000 -0.043 0.000 1.161 30 F CB 1.242 40.208 39.000 -0.056 0.000 1.146 30 F HN -0.001 nan 8.300 nan 0.000 0.522 31 K N 2.472 122.967 120.400 0.159 0.000 2.378 31 K HA 0.210 4.529 4.320 -0.000 0.000 0.288 31 K C -0.732 175.896 176.600 0.047 0.000 1.057 31 K CA 0.110 56.436 56.287 0.065 0.000 0.971 31 K CB 0.159 32.685 32.500 0.044 0.000 0.975 31 K HN 0.699 nan 8.250 nan 0.000 0.475 32 T N 3.071 117.627 114.554 0.003 0.000 2.829 32 T HA 0.391 4.741 4.350 -0.000 0.000 0.280 32 T C -0.862 173.778 174.700 -0.100 0.000 0.999 32 T CA -0.702 61.368 62.100 -0.050 0.000 0.983 32 T CB 1.674 70.502 68.868 -0.066 0.000 0.968 32 T HN 0.270 nan 8.240 nan 0.000 0.446 33 V N 1.672 121.525 119.914 -0.101 0.000 2.769 33 V HA 0.668 4.788 4.120 -0.000 0.000 0.312 33 V C -0.499 175.522 176.094 -0.122 0.000 1.061 33 V CA -0.795 61.445 62.300 -0.099 0.000 0.931 33 V CB 2.011 33.809 31.823 -0.042 0.000 1.010 33 V HN 1.092 nan 8.190 nan 0.000 0.433 34 C N 6.106 125.332 119.300 -0.124 0.000 2.446 34 C HA 0.705 5.165 4.460 -0.000 0.000 0.329 34 C C -0.613 174.408 174.990 0.050 0.000 1.166 34 C CA -0.487 58.485 59.018 -0.078 0.000 1.341 34 C CB -0.344 27.274 27.740 -0.203 0.000 1.970 34 C HN 0.800 nan 8.230 nan 0.000 0.452 35 I N 4.609 125.217 120.570 0.063 0.000 2.392 35 I HA 0.581 4.751 4.170 -0.000 0.000 0.295 35 I C -0.326 175.843 176.117 0.087 0.000 0.985 35 I CA 0.155 61.516 61.300 0.101 0.000 1.221 35 I CB 1.642 39.682 38.000 0.067 0.000 1.366 35 I HN 0.647 nan 8.210 nan 0.000 0.467 36 E N 5.107 125.379 120.200 0.120 0.000 2.290 36 E HA 0.259 4.609 4.350 -0.000 0.000 0.274 36 E C -0.168 176.469 176.600 0.062 0.000 0.889 36 E CA -0.806 55.632 56.400 0.063 0.000 0.760 36 E CB 1.565 31.292 29.700 0.046 0.000 1.206 36 E HN 0.564 nan 8.360 nan 0.000 0.419 37 K N 2.800 123.185 120.400 -0.025 0.000 2.186 37 K HA 0.179 4.499 4.320 -0.000 0.000 0.202 37 K C 0.262 176.872 176.600 0.016 0.000 1.052 37 K CA 0.112 56.386 56.287 -0.022 0.000 0.965 37 K CB -0.012 32.388 32.500 -0.167 0.000 0.746 37 K HN 0.254 nan 8.250 nan 0.000 0.457 38 N N 2.357 121.053 118.700 -0.007 0.000 2.381 38 N HA -0.050 4.690 4.740 -0.000 0.000 0.254 38 N C 0.770 176.299 175.510 0.032 0.000 1.264 38 N CA 0.136 53.186 53.050 0.000 0.000 0.942 38 N CB 0.891 39.359 38.487 -0.032 0.000 1.190 38 N HN 0.361 nan 8.380 nan 0.000 0.495 39 E N -1.413 118.802 120.200 0.025 0.000 2.418 39 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 39 E C -0.062 176.562 176.600 0.041 0.000 1.026 39 E CA 0.519 56.943 56.400 0.039 0.000 0.862 39 E CB -0.083 29.631 29.700 0.024 0.000 0.799 39 E HN 0.605 nan 8.360 nan 0.000 0.518 40 T N -1.170 113.388 114.554 0.006 0.000 2.907 40 T HA 0.579 4.929 4.350 -0.000 0.000 0.292 40 T C 0.065 174.720 174.700 -0.075 0.000 1.043 40 T CA -0.998 61.085 62.100 -0.028 0.000 1.003 40 T CB 1.943 70.781 68.868 -0.050 0.000 1.084 40 T HN 0.016 nan 8.240 nan 0.000 0.483 41 L N 1.002 122.134 121.223 -0.152 0.000 2.482 41 L HA 0.594 4.934 4.340 -0.000 0.000 0.242 41 L C 1.832 178.568 176.870 -0.224 0.000 1.210 41 L CA 0.284 54.983 54.840 -0.234 0.000 0.819 41 L CB 0.001 41.800 42.059 -0.434 0.000 1.203 41 L HN 1.173 nan 8.230 nan 0.000 0.495 42 G N -1.028 107.637 108.800 -0.226 0.000 2.232 42 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.226 42 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.226 42 G C 0.657 175.528 174.900 -0.048 0.000 0.996 42 G CA -0.067 44.927 45.100 -0.177 0.000 0.626 42 G HN 1.455 nan 8.290 nan 0.000 0.509 43 G N -0.841 107.932 108.800 -0.045 0.000 2.575 43 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.267 43 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.267 43 G C 1.022 175.901 174.900 -0.035 0.000 1.264 43 G CA 1.348 46.431 45.100 -0.029 0.000 0.935 43 G HN 1.321 nan 8.290 nan 0.000 0.568 44 T N -0.430 114.107 114.554 -0.028 0.000 2.674 44 T HA -0.192 4.158 4.350 -0.000 0.000 0.265 44 T C 2.460 177.150 174.700 -0.015 0.000 1.039 44 T CA 2.509 64.593 62.100 -0.027 0.000 1.150 44 T CB -0.739 68.116 68.868 -0.020 0.000 0.864 44 T HN 0.962 nan 8.240 nan 0.000 0.427 45 c N 1.266 119.864 118.600 -0.002 0.000 2.359 45 c HA -0.105 4.465 4.570 -0.000 0.000 0.277 45 c C 2.593 176.673 174.090 -0.017 0.000 1.192 45 c CA 1.093 57.422 56.329 0.001 0.000 1.759 45 c CB -1.353 41.171 42.510 0.023 0.000 2.038 45 c HN 0.501 nan 8.230 nan 0.000 0.448 46 L N 1.826 123.035 121.223 -0.024 0.000 2.027 46 L HA -0.041 4.299 4.340 -0.000 0.000 0.206 46 L C 2.196 179.035 176.870 -0.052 0.000 1.074 46 L CA 2.119 56.928 54.840 -0.051 0.000 0.745 46 L CB -1.224 40.783 42.059 -0.087 0.000 0.898 46 L HN 0.455 nan 8.230 nan 0.000 0.433 47 N N -0.741 117.930 118.700 -0.049 0.000 2.290 47 N HA -0.017 4.723 4.740 -0.000 0.000 0.179 47 N C 1.225 176.717 175.510 -0.030 0.000 1.016 47 N CA 1.741 54.765 53.050 -0.044 0.000 0.871 47 N CB 0.500 38.958 38.487 -0.049 0.000 0.987 47 N HN 0.461 nan 8.380 nan 0.000 0.431 48 V N -4.361 115.538 119.914 -0.025 0.000 3.415 48 V HA 0.567 4.687 4.120 -0.000 0.000 0.315 48 V C 0.732 176.824 176.094 -0.002 0.000 1.516 48 V CA -0.019 62.274 62.300 -0.012 0.000 1.122 48 V CB 0.521 32.336 31.823 -0.015 0.000 0.988 48 V HN 0.097 nan 8.190 nan 0.000 0.474 49 G N 0.173 108.968 108.800 -0.008 0.000 3.069 49 G HA2 0.172 4.132 3.960 -0.000 0.000 0.205 49 G HA3 0.172 4.132 3.960 -0.000 0.000 0.205 49 G C 1.131 176.023 174.900 -0.013 0.000 1.771 49 G CA 0.770 45.870 45.100 0.000 0.000 0.739 49 G HN 0.293 nan 8.290 nan 0.000 0.784 50 c N 1.118 119.705 118.600 -0.022 0.000 2.359 50 c HA -0.099 4.471 4.570 -0.000 0.000 0.277 50 c C 2.818 176.843 174.090 -0.107 0.000 1.192 50 c CA 0.642 56.931 56.329 -0.065 0.000 1.759 50 c CB -1.335 41.140 42.510 -0.059 0.000 2.038 50 c HN 0.415 nan 8.230 nan 0.000 0.448 51 I N 2.513 123.034 120.570 -0.081 0.000 2.099 51 I HA -0.126 4.044 4.170 -0.000 0.000 0.239 51 I C 0.113 176.186 176.117 -0.073 0.000 1.066 51 I CA 1.837 63.087 61.300 -0.084 0.000 1.324 51 I CB -2.978 34.984 38.000 -0.063 0.000 1.037 51 I HN 0.262 nan 8.210 nan 0.000 0.401 52 P HA -0.087 nan 4.420 nan 0.000 0.218 52 P C 1.835 179.111 177.300 -0.040 0.000 1.149 52 P CA 1.865 64.943 63.100 -0.037 0.000 0.817 52 P CB -0.125 31.564 31.700 -0.018 0.000 0.785 53 S N 0.060 115.737 115.700 -0.039 0.000 2.383 53 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 53 S C 2.007 176.567 174.600 -0.066 0.000 1.026 53 S CA 0.972 59.153 58.200 -0.032 0.000 0.981 53 S CB -0.836 62.364 63.200 0.000 0.000 0.818 53 S HN -0.005 nan 8.310 nan 0.000 0.472 54 K N 2.163 122.489 120.400 -0.124 0.000 2.097 54 K HA 0.246 4.566 4.320 -0.000 0.000 0.206 54 K C 2.332 178.878 176.600 -0.089 0.000 1.049 54 K CA 1.173 57.362 56.287 -0.164 0.000 0.933 54 K CB -0.901 31.415 32.500 -0.306 0.000 0.717 54 K HN 0.482 nan 8.250 nan 0.000 0.442 55 A N 0.557 123.334 122.820 -0.072 0.000 1.902 55 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 55 A C 2.079 179.636 177.584 -0.045 0.000 1.181 55 A CA 1.312 53.324 52.037 -0.042 0.000 0.623 55 A CB -0.627 18.351 19.000 -0.037 0.000 0.818 55 A HN 0.200 nan 8.150 nan 0.000 0.443 56 L N -0.803 120.376 121.223 -0.073 0.000 2.093 56 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 56 L C 2.555 179.354 176.870 -0.118 0.000 1.085 56 L CA 0.797 55.562 54.840 -0.124 0.000 0.755 56 L CB -0.544 41.409 42.059 -0.175 0.000 0.904 56 L HN 0.378 nan 8.230 nan 0.000 0.435 57 L N -0.209 120.971 121.223 -0.072 0.000 2.017 57 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 57 L C 2.378 179.237 176.870 -0.018 0.000 1.073 57 L CA 1.432 56.255 54.840 -0.030 0.000 0.745 57 L CB -0.553 41.519 42.059 0.022 0.000 0.894 57 L HN 0.329 nan 8.230 nan 0.000 0.432 58 N N 0.194 118.879 118.700 -0.025 0.000 2.043 58 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 58 N C 1.608 177.102 175.510 -0.026 0.000 1.037 58 N CA 1.656 54.680 53.050 -0.043 0.000 0.851 58 N CB -0.096 38.404 38.487 0.023 0.000 1.027 58 N HN 0.203 nan 8.380 nan 0.000 0.422 59 N N -0.255 118.473 118.700 0.047 0.000 2.142 59 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 59 N C 1.767 177.317 175.510 0.067 0.000 1.023 59 N CA 1.501 54.614 53.050 0.105 0.000 0.852 59 N CB -0.734 37.775 38.487 0.037 0.000 0.998 59 N HN 0.451 nan 8.380 nan 0.000 0.424 60 S N -0.027 115.661 115.700 -0.021 0.000 2.402 60 S HA -0.150 4.320 4.470 -0.000 0.000 0.229 60 S C 1.893 176.544 174.600 0.084 0.000 1.021 60 S CA 1.044 59.237 58.200 -0.013 0.000 0.974 60 S CB -0.535 62.575 63.200 -0.150 0.000 0.800 60 S HN 0.460 nan 8.310 nan 0.000 0.484 61 H N 0.855 119.880 119.070 -0.075 0.000 2.321 61 H HA -0.042 4.514 4.556 0.000 0.000 0.300 61 H C 1.644 176.898 175.328 -0.122 0.000 1.087 61 H CA 1.853 57.822 56.048 -0.130 0.000 1.319 61 H CB -0.742 28.843 29.762 -0.295 0.000 1.379 61 H HN 0.433 nan 8.280 nan 0.000 0.501 62 Y N -0.790 119.379 120.300 -0.219 0.000 2.224 62 Y HA -0.187 4.363 4.550 0.000 0.000 0.289 62 Y C 2.503 178.220 175.900 -0.305 0.000 1.146 62 Y CA 1.407 59.313 58.100 -0.323 0.000 1.182 62 Y CB -1.204 37.167 38.460 -0.147 0.000 0.983 62 Y HN 0.346 nan 8.280 nan 0.000 0.524 63 Y N -0.018 120.244 120.300 -0.063 0.000 2.128 63 Y HA -0.329 4.221 4.550 0.000 0.000 0.284 63 Y C 2.808 178.652 175.900 -0.094 0.000 1.154 63 Y CA 2.273 60.320 58.100 -0.089 0.000 1.149 63 Y CB -0.754 37.662 38.460 -0.073 0.000 0.976 63 Y HN 0.240 nan 8.280 nan 0.000 0.505 64 H N -0.196 118.778 119.070 -0.159 0.000 2.353 64 H HA -0.180 4.376 4.556 0.000 0.000 0.300 64 H C 2.066 177.223 175.328 -0.284 0.000 1.090 64 H CA 2.471 58.414 56.048 -0.175 0.000 1.327 64 H CB -0.354 29.395 29.762 -0.023 0.000 1.383 64 H HN 0.414 nan 8.280 nan 0.000 0.508 65 M N -0.643 118.633 119.600 -0.540 0.000 2.117 65 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 65 M C 2.571 178.368 176.300 -0.838 0.000 1.065 65 M CA 1.658 56.572 55.300 -0.644 0.000 1.114 65 M CB -0.145 32.085 32.600 -0.616 0.000 1.361 65 M HN 0.473 nan 8.290 nan 0.000 0.408 66 A N -1.166 121.066 122.820 -0.980 0.000 1.898 66 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 66 A C 2.024 179.330 177.584 -0.463 0.000 1.183 66 A CA 1.307 52.838 52.037 -0.843 0.000 0.622 66 A CB -0.978 17.617 19.000 -0.674 0.000 0.824 66 A HN 0.530 nan 8.150 nan 0.000 0.444 67 H N -0.053 118.633 119.070 -0.640 0.000 2.395 67 H HA 0.015 4.571 4.556 0.000 0.000 0.299 67 H C 1.595 176.724 175.328 -0.332 0.000 1.070 67 H CA 1.206 56.941 56.048 -0.522 0.000 1.356 67 H CB -0.202 29.061 29.762 -0.831 0.000 1.401 67 H HN 0.438 nan 8.280 nan 0.000 0.524 68 G N -0.563 108.033 108.800 -0.340 0.000 2.529 68 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.234 68 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.234 68 G C 1.220 175.981 174.900 -0.231 0.000 1.527 68 G CA 0.794 45.718 45.100 -0.294 0.000 1.062 68 G HN 0.445 nan 8.290 nan 0.000 0.558 69 T N -3.055 111.401 114.554 -0.163 0.000 3.044 69 T HA 0.057 4.407 4.350 -0.000 0.000 0.250 69 T C 1.522 176.201 174.700 -0.034 0.000 1.081 69 T CA 1.164 63.216 62.100 -0.080 0.000 1.040 69 T CB 0.153 68.999 68.868 -0.035 0.000 0.962 69 T HN 0.422 nan 8.240 nan 0.000 0.506 70 D N 0.797 121.167 120.400 -0.050 0.000 2.087 70 D HA -0.158 4.482 4.640 -0.000 0.000 0.192 70 D C 1.491 177.908 176.300 0.195 0.000 0.993 70 D CA 1.229 55.265 54.000 0.059 0.000 0.828 70 D CB -0.195 40.632 40.800 0.045 0.000 0.968 70 D HN 0.326 nan 8.370 nan 0.000 0.448 71 F N 1.436 121.323 119.950 -0.105 0.000 2.171 71 F HA -0.058 4.469 4.527 -0.000 0.000 0.300 71 F C 2.638 178.398 175.800 -0.068 0.000 1.090 71 F CA 0.810 58.761 58.000 -0.082 0.000 1.293 71 F CB -1.213 37.730 39.000 -0.095 0.000 1.013 71 F HN 0.011 nan 8.300 nan 0.000 0.486 72 A N -0.161 122.724 122.820 0.108 0.000 1.933 72 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 72 A C 2.357 179.948 177.584 0.010 0.000 1.175 72 A CA 2.060 54.115 52.037 0.030 0.000 0.628 72 A CB -1.183 17.817 19.000 0.000 0.000 0.814 72 A HN 0.406 nan 8.150 nan 0.000 0.444 73 S N -0.371 115.340 115.700 0.019 0.000 2.474 73 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 73 S C 1.540 176.136 174.600 -0.007 0.000 0.997 73 S CA 1.034 59.240 58.200 0.009 0.000 0.949 73 S CB -0.334 62.879 63.200 0.021 0.000 0.766 73 S HN 0.629 nan 8.310 nan 0.000 0.517 74 R N 0.502 120.986 120.500 -0.027 0.000 2.359 74 R HA 0.339 4.679 4.340 -0.000 0.000 0.231 74 R C 1.352 177.602 176.300 -0.085 0.000 0.913 74 R CA 0.330 56.388 56.100 -0.071 0.000 1.075 74 R CB 0.035 30.250 30.300 -0.141 0.000 1.087 74 R HN 0.524 nan 8.270 nan 0.000 0.515 75 G N 1.619 110.384 108.800 -0.057 0.000 2.143 75 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.249 75 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.249 75 G C 0.126 174.984 174.900 -0.069 0.000 0.981 75 G CA -0.240 44.828 45.100 -0.054 0.000 0.665 75 G HN 0.283 nan 8.290 nan 0.000 0.528 76 I N 1.402 121.919 120.570 -0.088 0.000 2.287 76 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 76 I C 0.204 176.321 176.117 -0.001 0.000 1.069 76 I CA -0.252 60.997 61.300 -0.086 0.000 1.237 76 I CB 0.830 38.694 38.000 -0.228 0.000 1.418 76 I HN 0.107 nan 8.210 nan 0.000 0.481 77 E N 8.016 128.213 120.200 -0.005 0.000 2.166 77 E HA 0.607 4.957 4.350 -0.000 0.000 0.275 77 E C -0.629 175.976 176.600 0.007 0.000 0.941 77 E CA -0.751 55.651 56.400 0.003 0.000 0.784 77 E CB 1.817 31.511 29.700 -0.009 0.000 1.115 77 E HN 0.434 nan 8.360 nan 0.000 0.399 78 M N 0.161 119.765 119.600 0.006 0.000 2.501 78 M HA 0.432 4.912 4.480 -0.000 0.000 0.293 78 M C 0.026 176.320 176.300 -0.010 0.000 1.192 78 M CA -0.847 54.455 55.300 0.003 0.000 0.886 78 M CB 1.607 34.215 32.600 0.012 0.000 1.710 78 M HN 0.203 nan 8.290 nan 0.000 0.457 79 S N 0.188 115.884 115.700 -0.006 0.000 2.371 79 S HA 0.017 4.487 4.470 -0.000 0.000 0.224 79 S C 0.403 174.995 174.600 -0.013 0.000 1.029 79 S CA 1.148 59.343 58.200 -0.010 0.000 0.978 79 S CB 0.122 63.320 63.200 -0.003 0.000 0.833 79 S HN 0.749 nan 8.310 nan 0.000 0.466 80 E N 0.059 120.257 120.200 -0.003 0.000 2.366 80 E HA 0.472 4.822 4.350 -0.000 0.000 0.278 80 E C -2.021 174.593 176.600 0.023 0.000 0.923 80 E CA -0.414 55.990 56.400 0.007 0.000 0.761 80 E CB 2.060 31.775 29.700 0.026 0.000 1.231 80 E HN -0.080 nan 8.360 nan 0.000 0.443 81 V N 4.223 124.166 119.914 0.047 0.000 2.409 81 V HA 0.520 4.640 4.120 -0.000 0.000 0.291 81 V C -0.237 175.977 176.094 0.199 0.000 1.020 81 V CA -0.599 61.748 62.300 0.078 0.000 0.848 81 V CB 1.477 33.296 31.823 -0.006 0.000 0.990 81 V HN 0.591 nan 8.190 nan 0.000 0.430 82 R N 3.363 123.969 120.500 0.177 0.000 2.778 82 R HA 0.680 5.020 4.340 -0.000 0.000 0.277 82 R C -1.287 175.145 176.300 0.221 0.000 0.977 82 R CA -1.039 55.176 56.100 0.192 0.000 0.950 82 R CB 2.467 32.829 30.300 0.104 0.000 1.165 82 R HN 0.512 nan 8.270 nan 0.000 0.474 83 L N 2.144 123.449 121.223 0.136 0.000 2.282 83 L HA 0.357 4.697 4.340 -0.000 0.000 0.288 83 L C -0.726 176.122 176.870 -0.037 0.000 1.033 83 L CA -0.240 54.580 54.840 -0.034 0.000 0.807 83 L CB 1.133 42.981 42.059 -0.352 0.000 1.209 83 L HN 0.478 nan 8.230 nan 0.000 0.423 84 N N 4.608 123.290 118.700 -0.030 0.000 2.816 84 N HA 0.078 4.818 4.740 -0.000 0.000 0.236 84 N C 0.636 176.124 175.510 -0.037 0.000 1.076 84 N CA -0.399 52.640 53.050 -0.019 0.000 0.902 84 N CB 0.614 39.101 38.487 -0.000 0.000 1.149 84 N HN 0.786 nan 8.380 nan 0.000 0.506 85 L N 3.030 124.228 121.223 -0.041 0.000 2.043 85 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 85 L C 1.382 178.249 176.870 -0.006 0.000 1.075 85 L CA 1.963 56.786 54.840 -0.028 0.000 0.752 85 L CB -0.247 41.825 42.059 0.023 0.000 0.891 85 L HN 0.483 nan 8.230 nan 0.000 0.432 86 D N -0.573 119.828 120.400 0.001 0.000 2.104 86 D HA -0.244 4.396 4.640 -0.000 0.000 0.194 86 D C 2.079 178.378 176.300 -0.002 0.000 0.994 86 D CA 1.457 55.460 54.000 0.004 0.000 0.830 86 D CB 0.021 40.822 40.800 0.002 0.000 0.959 86 D HN 0.227 nan 8.370 nan 0.000 0.452 87 K N 0.932 121.328 120.400 -0.007 0.000 2.057 87 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 87 K C 2.107 178.700 176.600 -0.012 0.000 1.050 87 K CA 0.714 56.997 56.287 -0.008 0.000 0.935 87 K CB -0.431 32.066 32.500 -0.005 0.000 0.715 87 K HN 0.052 nan 8.250 nan 0.000 0.439 88 M N -0.569 119.017 119.600 -0.024 0.000 2.149 88 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 88 M C 1.549 177.831 176.300 -0.031 0.000 1.064 88 M CA 1.477 56.755 55.300 -0.036 0.000 1.102 88 M CB 0.009 32.562 32.600 -0.080 0.000 1.369 88 M HN 0.147 nan 8.290 nan 0.000 0.408 89 M N -0.412 119.178 119.600 -0.017 0.000 2.175 89 M HA -0.171 4.309 4.480 -0.000 0.000 0.264 89 M C 1.976 178.273 176.300 -0.005 0.000 1.063 89 M CA 1.580 56.878 55.300 -0.003 0.000 1.119 89 M CB -1.418 31.194 32.600 0.021 0.000 1.377 89 M HN 0.432 nan 8.290 nan 0.000 0.415 90 E N 0.151 120.348 120.200 -0.006 0.000 2.058 90 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 90 E C 2.094 178.688 176.600 -0.010 0.000 0.997 90 E CA 1.268 57.664 56.400 -0.007 0.000 0.801 90 E CB -0.029 29.667 29.700 -0.006 0.000 0.746 90 E HN 0.368 nan 8.360 nan 0.000 0.450 91 Q N 1.339 121.133 119.800 -0.010 0.000 2.096 91 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 91 Q C 2.102 178.094 176.000 -0.012 0.000 0.982 91 Q CA 1.873 57.670 55.803 -0.009 0.000 0.850 91 Q CB -0.259 28.478 28.738 -0.003 0.000 0.901 91 Q HN 0.227 nan 8.270 nan 0.000 0.422 92 K N -0.299 120.092 120.400 -0.015 0.000 2.002 92 K HA -0.107 4.213 4.320 -0.000 0.000 0.209 92 K C 2.161 178.749 176.600 -0.020 0.000 1.048 92 K CA 1.735 58.010 56.287 -0.020 0.000 0.930 92 K CB -0.102 32.385 32.500 -0.021 0.000 0.714 92 K HN 0.092 nan 8.250 nan 0.000 0.438 93 S N 0.401 116.092 115.700 -0.015 0.000 2.383 93 S HA -0.125 4.345 4.470 -0.000 0.000 0.229 93 S C 1.926 176.513 174.600 -0.021 0.000 1.030 93 S CA 1.869 60.059 58.200 -0.017 0.000 1.002 93 S CB -0.447 62.746 63.200 -0.011 0.000 0.829 93 S HN 0.469 nan 8.310 nan 0.000 0.467 94 T N 2.191 116.734 114.554 -0.019 0.000 2.746 94 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 94 T C 2.132 176.815 174.700 -0.028 0.000 1.039 94 T CA 1.242 63.329 62.100 -0.022 0.000 1.142 94 T CB -0.469 68.388 68.868 -0.018 0.000 0.866 94 T HN 0.478 nan 8.240 nan 0.000 0.444 95 A N 0.859 123.663 122.820 -0.027 0.000 1.877 95 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 95 A C 2.579 180.137 177.584 -0.043 0.000 1.186 95 A CA 1.378 53.396 52.037 -0.033 0.000 0.620 95 A CB -1.045 17.937 19.000 -0.030 0.000 0.822 95 A HN 0.344 nan 8.150 nan 0.000 0.443 96 V N 0.366 120.254 119.914 -0.042 0.000 2.287 96 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 96 V C 2.571 178.630 176.094 -0.058 0.000 1.053 96 V CA 2.483 64.752 62.300 -0.052 0.000 1.027 96 V CB -0.664 31.133 31.823 -0.043 0.000 0.646 96 V HN 0.685 nan 8.190 nan 0.000 0.447 97 K N 0.055 120.426 120.400 -0.047 0.000 2.032 97 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 97 K C 2.215 178.781 176.600 -0.056 0.000 1.048 97 K CA 1.653 57.911 56.287 -0.048 0.000 0.927 97 K CB -0.354 32.125 32.500 -0.035 0.000 0.712 97 K HN 0.430 nan 8.250 nan 0.000 0.441 98 A N 1.221 124.009 122.820 -0.053 0.000 1.902 98 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 98 A C 2.126 179.664 177.584 -0.075 0.000 1.181 98 A CA 1.373 53.376 52.037 -0.058 0.000 0.623 98 A CB -0.591 18.379 19.000 -0.049 0.000 0.818 98 A HN 0.328 nan 8.150 nan 0.000 0.443 99 L N -0.147 121.027 121.223 -0.082 0.000 2.093 99 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 99 L C 3.022 179.798 176.870 -0.158 0.000 1.085 99 L CA 1.726 56.500 54.840 -0.110 0.000 0.755 99 L CB -0.774 41.225 42.059 -0.100 0.000 0.904 99 L HN 0.671 nan 8.230 nan 0.000 0.435 100 T N -3.359 111.109 114.554 -0.143 0.000 2.821 100 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 100 T C 1.962 176.562 174.700 -0.166 0.000 1.046 100 T CA 0.981 62.974 62.100 -0.177 0.000 1.139 100 T CB -0.910 67.881 68.868 -0.129 0.000 0.871 100 T HN 0.363 nan 8.240 nan 0.000 0.454 101 G N 1.096 109.831 108.800 -0.108 0.000 2.432 101 G HA2 0.089 4.049 3.960 -0.000 0.000 0.219 101 G HA3 0.089 4.049 3.960 -0.000 0.000 0.219 101 G C 1.675 176.529 174.900 -0.077 0.000 1.135 101 G CA 0.615 45.670 45.100 -0.075 0.000 0.767 101 G HN 0.666 nan 8.290 nan 0.000 0.550 102 G N 0.982 109.718 108.800 -0.107 0.000 2.408 102 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.217 102 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.217 102 G C 1.726 176.542 174.900 -0.140 0.000 1.150 102 G CA 0.704 45.753 45.100 -0.086 0.000 0.776 102 G HN 0.457 nan 8.290 nan 0.000 0.542 103 I N 1.238 121.614 120.570 -0.324 0.000 2.315 103 I HA -0.100 4.070 4.170 -0.000 0.000 0.248 103 I C 3.269 179.055 176.117 -0.553 0.000 1.117 103 I CA 0.760 61.715 61.300 -0.574 0.000 1.404 103 I CB -0.218 37.229 38.000 -0.921 0.000 1.071 103 I HN 0.228 nan 8.210 nan 0.000 0.419 104 A N 0.623 123.232 122.820 -0.351 0.000 1.865 104 A HA -0.334 3.986 4.320 -0.000 0.000 0.217 104 A C 2.222 179.792 177.584 -0.023 0.000 1.191 104 A CA 2.370 54.308 52.037 -0.164 0.000 0.623 104 A CB -1.128 17.848 19.000 -0.041 0.000 0.826 104 A HN 0.542 nan 8.150 nan 0.000 0.444 105 H N -0.071 118.958 119.070 -0.067 0.000 2.319 105 H HA -0.073 4.483 4.556 0.000 0.000 0.299 105 H C 1.741 177.086 175.328 0.027 0.000 1.092 105 H CA 2.091 58.133 56.048 -0.010 0.000 1.302 105 H CB -0.329 29.418 29.762 -0.025 0.000 1.373 105 H HN 0.357 nan 8.280 nan 0.000 0.497 106 L N -0.782 120.436 121.223 -0.008 0.000 2.127 106 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 106 L C 2.120 179.076 176.870 0.143 0.000 1.089 106 L CA 0.654 55.512 54.840 0.029 0.000 0.757 106 L CB -0.455 41.655 42.059 0.085 0.000 0.899 106 L HN 0.292 nan 8.230 nan 0.000 0.434 107 F N 0.697 120.618 119.950 -0.048 0.000 2.113 107 F HA -0.166 4.361 4.527 0.000 0.000 0.297 107 F C 2.564 178.331 175.800 -0.054 0.000 1.103 107 F CA 1.033 59.017 58.000 -0.026 0.000 1.248 107 F CB -0.747 38.247 39.000 -0.010 0.000 0.999 107 F HN -0.003 nan 8.300 nan 0.000 0.475 108 K N 0.259 120.722 120.400 0.106 0.000 2.009 108 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 108 K C 2.010 178.568 176.600 -0.069 0.000 1.049 108 K CA 1.493 57.776 56.287 -0.007 0.000 0.929 108 K CB -1.003 31.456 32.500 -0.067 0.000 0.714 108 K HN 0.375 nan 8.250 nan 0.000 0.440 109 Q N 0.818 120.507 119.800 -0.185 0.000 2.152 109 Q HA -0.147 4.193 4.340 -0.000 0.000 0.206 109 Q C 1.275 177.252 176.000 -0.038 0.000 0.985 109 Q CA 1.405 57.121 55.803 -0.145 0.000 0.863 109 Q CB 0.067 28.683 28.738 -0.203 0.000 0.904 109 Q HN 0.294 nan 8.270 nan 0.000 0.422 110 N N 0.051 118.753 118.700 0.004 0.000 2.280 110 N HA 0.025 4.765 4.740 -0.000 0.000 0.192 110 N C -0.615 174.895 175.510 0.001 0.000 1.109 110 N CA 0.247 53.309 53.050 0.020 0.000 0.855 110 N CB 0.499 39.022 38.487 0.060 0.000 0.974 110 N HN 0.180 nan 8.380 nan 0.000 0.482 111 K N 0.225 120.622 120.400 -0.005 0.000 3.125 111 K HA -0.114 4.206 4.320 -0.000 0.000 0.268 111 K C -0.902 175.668 176.600 -0.051 0.000 1.078 111 K CA 0.095 56.371 56.287 -0.017 0.000 0.775 111 K CB -1.657 30.834 32.500 -0.014 0.000 1.253 111 K HN -0.054 nan 8.250 nan 0.000 0.486 112 V N 1.577 121.433 119.914 -0.097 0.000 2.465 112 V HA 0.178 4.298 4.120 -0.000 0.000 0.279 112 V C 0.645 176.617 176.094 -0.203 0.000 1.045 112 V CA -0.755 61.391 62.300 -0.257 0.000 0.938 112 V CB 1.749 33.183 31.823 -0.647 0.000 0.986 112 V HN 0.101 nan 8.190 nan 0.000 0.467 113 V N 5.431 125.255 119.914 -0.150 0.000 2.432 113 V HA 0.191 4.311 4.120 -0.000 0.000 0.271 113 V C 0.284 176.373 176.094 -0.009 0.000 1.046 113 V CA -0.409 61.861 62.300 -0.050 0.000 0.945 113 V CB 0.512 32.318 31.823 -0.027 0.000 0.992 113 V HN 0.905 nan 8.190 nan 0.000 0.471 114 H N 4.544 123.597 119.070 -0.029 0.000 2.594 114 H HA 0.573 5.129 4.556 -0.000 0.000 0.304 114 H C -1.152 174.201 175.328 0.043 0.000 1.068 114 H CA -0.737 55.341 56.048 0.050 0.000 1.308 114 H CB 1.394 31.275 29.762 0.198 0.000 1.409 114 H HN 0.484 nan 8.280 nan 0.000 0.460 115 V N 5.643 125.729 119.914 0.286 0.000 2.398 115 V HA 0.062 4.182 4.120 -0.000 0.000 0.286 115 V C 0.116 176.296 176.094 0.144 0.000 1.026 115 V CA -0.782 61.574 62.300 0.094 0.000 0.868 115 V CB 1.316 33.184 31.823 0.074 0.000 0.982 115 V HN 0.805 nan 8.190 nan 0.000 0.443 116 N N 3.253 121.939 118.700 -0.024 0.000 2.498 116 N HA 0.725 5.465 4.740 -0.000 0.000 0.287 116 N C -0.150 175.400 175.510 0.066 0.000 1.097 116 N CA 0.778 53.858 53.050 0.050 0.000 0.973 116 N CB 1.452 39.912 38.487 -0.045 0.000 1.153 116 N HN 1.080 nan 8.380 nan 0.000 0.472 117 G N 0.938 109.795 108.800 0.094 0.000 2.339 117 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.381 117 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.381 117 G C -2.153 172.828 174.900 0.135 0.000 1.400 117 G CA -1.022 44.144 45.100 0.110 0.000 1.002 117 G HN 0.503 nan 8.290 nan 0.000 0.633 118 Y N 1.679 122.017 120.300 0.064 0.000 2.436 118 Y HA 0.520 5.070 4.550 -0.000 0.000 0.343 118 Y C 1.066 177.006 175.900 0.066 0.000 1.008 118 Y CA 0.551 58.697 58.100 0.076 0.000 1.241 118 Y CB 0.809 39.314 38.460 0.074 0.000 1.153 118 Y HN 0.855 nan 8.280 nan 0.000 0.521 119 G N 5.186 114.110 108.800 0.207 0.000 2.476 119 G HA2 0.432 4.392 3.960 -0.000 0.000 0.269 119 G HA3 0.432 4.392 3.960 -0.000 0.000 0.269 119 G C -1.345 173.709 174.900 0.257 0.000 1.195 119 G CA -0.707 44.504 45.100 0.186 0.000 0.843 119 G HN 0.632 nan 8.290 nan 0.000 0.545 120 K N 1.412 121.909 120.400 0.162 0.000 2.550 120 K HA 0.331 4.651 4.320 -0.000 0.000 0.252 120 K C -0.696 175.948 176.600 0.073 0.000 0.943 120 K CA -0.791 55.571 56.287 0.124 0.000 0.806 120 K CB 1.610 34.170 32.500 0.100 0.000 1.289 120 K HN 0.406 nan 8.250 nan 0.000 0.435 121 I N 4.081 124.685 120.570 0.056 0.000 2.517 121 I HA 0.031 4.201 4.170 -0.000 0.000 0.285 121 I C 1.007 177.141 176.117 0.028 0.000 1.106 121 I CA 0.144 61.467 61.300 0.038 0.000 1.402 121 I CB 1.031 39.050 38.000 0.031 0.000 1.399 121 I HN 0.737 nan 8.210 nan 0.000 0.535 122 T N 1.285 115.854 114.554 0.025 0.000 3.215 122 T HA 0.541 4.891 4.350 -0.000 0.000 0.271 122 T C 0.294 175.001 174.700 0.013 0.000 1.012 122 T CA -0.368 61.743 62.100 0.018 0.000 0.899 122 T CB 0.237 69.116 68.868 0.019 0.000 1.089 122 T HN 0.857 nan 8.240 nan 0.000 0.552 123 G N 0.409 109.217 108.800 0.013 0.000 2.361 123 G HA2 0.302 4.262 3.960 -0.000 0.000 0.299 123 G HA3 0.302 4.262 3.960 -0.000 0.000 0.299 123 G C 0.044 174.951 174.900 0.011 0.000 1.544 123 G CA -0.456 44.650 45.100 0.010 0.000 0.860 123 G HN 0.043 nan 8.290 nan 0.000 0.610 124 K N -0.472 119.933 120.400 0.008 0.000 2.089 124 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 124 K C 0.918 177.525 176.600 0.012 0.000 1.048 124 K CA 2.066 58.357 56.287 0.007 0.000 0.926 124 K CB -0.080 32.422 32.500 0.004 0.000 0.714 124 K HN 0.393 nan 8.250 nan 0.000 0.448 125 N N 0.321 119.028 118.700 0.013 0.000 2.535 125 N HA 0.082 4.822 4.740 -0.000 0.000 0.294 125 N C -1.372 174.146 175.510 0.014 0.000 1.408 125 N CA -0.224 52.834 53.050 0.014 0.000 0.927 125 N CB 1.285 39.781 38.487 0.014 0.000 1.276 125 N HN 0.184 nan 8.380 nan 0.000 0.505 126 Q N 0.294 120.103 119.800 0.016 0.000 2.353 126 Q HA 0.526 4.866 4.340 -0.000 0.000 0.275 126 Q C -2.005 174.008 176.000 0.022 0.000 1.029 126 Q CA -0.664 55.149 55.803 0.017 0.000 0.848 126 Q CB 1.849 30.596 28.738 0.015 0.000 1.390 126 Q HN -0.024 nan 8.270 nan 0.000 0.401 127 V N 2.029 121.958 119.914 0.025 0.000 2.709 127 V HA 0.595 4.715 4.120 -0.000 0.000 0.308 127 V C -0.722 175.395 176.094 0.038 0.000 1.062 127 V CA -0.611 61.709 62.300 0.034 0.000 0.901 127 V CB 2.183 34.028 31.823 0.036 0.000 1.003 127 V HN 0.867 nan 8.190 nan 0.000 0.425 128 T N 3.602 118.185 114.554 0.048 0.000 2.786 128 T HA 0.695 5.045 4.350 -0.000 0.000 0.283 128 T C -0.066 174.678 174.700 0.073 0.000 0.992 128 T CA -0.270 61.860 62.100 0.050 0.000 0.954 128 T CB 1.505 70.397 68.868 0.040 0.000 0.934 128 T HN 0.963 nan 8.240 nan 0.000 0.440 129 A N 3.082 125.944 122.820 0.071 0.000 2.276 129 A HA 0.672 4.992 4.320 -0.000 0.000 0.316 129 A C 0.277 177.914 177.584 0.088 0.000 1.229 129 A CA -0.616 51.478 52.037 0.095 0.000 0.851 129 A CB 0.389 19.438 19.000 0.081 0.000 1.165 129 A HN 0.682 nan 8.150 nan 0.000 0.513 130 T N 3.821 118.446 114.554 0.118 0.000 2.772 130 T HA 0.307 4.657 4.350 -0.000 0.000 0.288 130 T C 0.171 174.934 174.700 0.104 0.000 0.994 130 T CA -0.401 61.753 62.100 0.090 0.000 0.951 130 T CB 0.678 69.587 68.868 0.068 0.000 0.933 130 T HN 0.675 nan 8.240 nan 0.000 0.447 131 K N 1.258 121.700 120.400 0.070 0.000 2.149 131 K HA 0.482 4.802 4.320 -0.000 0.000 0.245 131 K C 1.574 178.210 176.600 0.060 0.000 1.024 131 K CA -0.485 55.840 56.287 0.065 0.000 0.899 131 K CB 0.428 32.951 32.500 0.039 0.000 1.038 131 K HN 0.567 nan 8.250 nan 0.000 0.496 132 A N 1.490 124.343 122.820 0.056 0.000 1.902 132 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 132 A C 1.279 178.882 177.584 0.031 0.000 1.181 132 A CA 2.083 54.148 52.037 0.048 0.000 0.623 132 A CB -0.639 18.387 19.000 0.044 0.000 0.818 132 A HN 0.880 nan 8.150 nan 0.000 0.443 133 D N -1.680 118.736 120.400 0.026 0.000 2.332 133 D HA 0.287 4.927 4.640 -0.000 0.000 0.244 133 D C 1.125 177.435 176.300 0.016 0.000 1.136 133 D CA 0.907 54.917 54.000 0.018 0.000 0.884 133 D CB -0.781 40.027 40.800 0.014 0.000 0.906 133 D HN 0.750 nan 8.370 nan 0.000 0.520 134 G N -0.929 107.882 108.800 0.020 0.000 2.234 134 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.260 134 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.260 134 G C 0.782 175.692 174.900 0.018 0.000 0.987 134 G CA 0.120 45.230 45.100 0.016 0.000 0.625 134 G HN 0.862 nan 8.290 nan 0.000 0.532 135 G N -0.266 108.545 108.800 0.019 0.000 2.562 135 G HA2 0.463 4.423 3.960 -0.000 0.000 0.233 135 G HA3 0.463 4.423 3.960 -0.000 0.000 0.233 135 G C 0.024 174.937 174.900 0.023 0.000 1.266 135 G CA 1.277 46.387 45.100 0.017 0.000 0.852 135 G HN 0.780 nan 8.290 nan 0.000 0.581 136 T N 0.642 115.207 114.554 0.020 0.000 2.900 136 T HA 0.544 4.894 4.350 -0.000 0.000 0.295 136 T C -0.693 174.020 174.700 0.021 0.000 1.044 136 T CA -0.345 61.769 62.100 0.024 0.000 0.995 136 T CB 1.936 70.816 68.868 0.020 0.000 1.072 136 T HN 0.625 nan 8.240 nan 0.000 0.473 137 Q N 2.226 122.042 119.800 0.027 0.000 2.269 137 Q HA 0.582 4.922 4.340 -0.000 0.000 0.263 137 Q C -1.789 174.226 176.000 0.026 0.000 0.983 137 Q CA -0.494 55.322 55.803 0.022 0.000 0.777 137 Q CB 1.320 30.070 28.738 0.021 0.000 1.273 137 Q HN 0.464 nan 8.270 nan 0.000 0.440 138 V N 5.025 124.951 119.914 0.020 0.000 2.617 138 V HA 0.588 4.708 4.120 -0.000 0.000 0.298 138 V C -0.271 175.834 176.094 0.017 0.000 1.048 138 V CA -0.608 61.704 62.300 0.020 0.000 0.964 138 V CB 1.577 33.410 31.823 0.016 0.000 1.004 138 V HN 0.717 nan 8.190 nan 0.000 0.466 139 I N 2.887 123.468 120.570 0.018 0.000 2.468 139 I HA 0.411 4.581 4.170 -0.000 0.000 0.285 139 I C -0.710 175.415 176.117 0.012 0.000 1.039 139 I CA -0.572 60.737 61.300 0.014 0.000 1.074 139 I CB 1.676 39.684 38.000 0.013 0.000 1.228 139 I HN 0.511 nan 8.210 nan 0.000 0.436 140 D N 4.518 124.924 120.400 0.010 0.000 2.359 140 D HA 0.324 4.964 4.640 -0.000 0.000 0.230 140 D C 0.011 176.316 176.300 0.008 0.000 1.118 140 D CA 0.307 54.313 54.000 0.010 0.000 0.844 140 D CB 2.339 43.145 40.800 0.010 0.000 1.059 140 D HN 0.460 nan 8.370 nan 0.000 0.493 141 T N 0.999 115.557 114.554 0.007 0.000 2.906 141 T HA 0.223 4.573 4.350 -0.000 0.000 0.295 141 T C 1.014 175.716 174.700 0.003 0.000 1.061 141 T CA -0.626 61.474 62.100 0.000 0.000 1.000 141 T CB 1.575 70.437 68.868 -0.010 0.000 1.103 141 T HN 0.130 nan 8.240 nan 0.000 0.486 142 K N 1.830 122.229 120.400 -0.002 0.000 2.062 142 K HA 0.135 4.455 4.320 -0.000 0.000 0.205 142 K C 0.536 177.139 176.600 0.006 0.000 1.051 142 K CA 0.763 57.053 56.287 0.005 0.000 0.941 142 K CB 0.088 32.594 32.500 0.009 0.000 0.719 142 K HN 0.392 nan 8.250 nan 0.000 0.440 143 N N 0.337 119.018 118.700 -0.031 0.000 2.272 143 N HA 0.397 5.137 4.740 -0.000 0.000 0.305 143 N C -1.021 174.482 175.510 -0.012 0.000 1.103 143 N CA -0.456 52.590 53.050 -0.007 0.000 0.791 143 N CB 2.241 40.652 38.487 -0.127 0.000 1.356 143 N HN -0.067 nan 8.380 nan 0.000 0.486 144 I N 1.401 122.012 120.570 0.068 0.000 2.545 144 I HA 0.369 4.539 4.170 -0.000 0.000 0.292 144 I C -1.011 175.164 176.117 0.096 0.000 1.040 144 I CA -0.950 60.380 61.300 0.050 0.000 1.068 144 I CB 2.316 40.349 38.000 0.055 0.000 1.251 144 I HN 0.159 nan 8.210 nan 0.000 0.424 145 L N 7.524 128.767 121.223 0.032 0.000 2.372 145 L HA 0.570 4.910 4.340 -0.000 0.000 0.274 145 L C -0.918 175.976 176.870 0.040 0.000 0.988 145 L CA -0.201 54.662 54.840 0.039 0.000 0.833 145 L CB 1.316 43.339 42.059 -0.060 0.000 1.236 145 L HN 0.389 nan 8.230 nan 0.000 0.410 146 I N 5.402 126.014 120.570 0.070 0.000 2.312 146 I HA 0.520 4.690 4.170 -0.000 0.000 0.291 146 I C 0.506 176.654 176.117 0.052 0.000 1.031 146 I CA -0.004 61.332 61.300 0.060 0.000 1.293 146 I CB 1.451 39.491 38.000 0.067 0.000 1.403 146 I HN 0.834 nan 8.210 nan 0.000 0.484 147 A N 3.623 126.469 122.820 0.043 0.000 3.176 147 A HA 0.229 4.549 4.320 -0.000 0.000 0.265 147 A C 0.940 178.555 177.584 0.052 0.000 0.936 147 A CA -0.330 51.728 52.037 0.036 0.000 1.033 147 A CB -0.365 18.643 19.000 0.014 0.000 1.158 147 A HN 0.740 nan 8.150 nan 0.000 0.485 148 T N -3.192 111.409 114.554 0.079 0.000 3.118 148 T HA 0.394 4.744 4.350 -0.000 0.000 0.260 148 T C 1.517 176.313 174.700 0.159 0.000 1.139 148 T CA 1.202 63.379 62.100 0.128 0.000 1.085 148 T CB -0.251 68.719 68.868 0.170 0.000 0.934 148 T HN 1.991 nan 8.240 nan 0.000 0.518 149 G N 1.750 110.615 108.800 0.109 0.000 2.556 149 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.283 149 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.283 149 G C 0.090 175.067 174.900 0.128 0.000 1.177 149 G CA 0.679 45.833 45.100 0.090 0.000 0.978 149 G HN 1.662 nan 8.290 nan 0.000 0.554 150 S N -0.533 115.220 115.700 0.087 0.000 2.720 150 S HA 0.815 5.285 4.470 -0.000 0.000 0.287 150 S C -0.758 173.861 174.600 0.031 0.000 1.168 150 S CA 0.381 58.642 58.200 0.102 0.000 0.832 150 S CB 2.445 65.685 63.200 0.066 0.000 1.166 150 S HN 1.804 nan 8.310 nan 0.000 0.493 151 E N -0.562 119.674 120.200 0.061 0.000 2.449 151 E HA 0.655 5.005 4.350 -0.000 0.000 0.278 151 E C -1.429 175.200 176.600 0.047 0.000 0.992 151 E CA -1.303 55.103 56.400 0.009 0.000 0.807 151 E CB 1.279 31.001 29.700 0.037 0.000 1.350 151 E HN 0.401 nan 8.360 nan 0.000 0.462 152 V N 1.318 121.254 119.914 0.036 0.000 2.655 152 V HA 0.103 4.223 4.120 -0.000 0.000 0.300 152 V C 0.006 176.139 176.094 0.066 0.000 1.044 152 V CA 0.240 62.571 62.300 0.051 0.000 1.095 152 V CB 1.126 32.975 31.823 0.044 0.000 0.952 152 V HN 0.701 nan 8.190 nan 0.000 0.485 153 T N 7.914 122.508 114.554 0.067 0.000 2.729 153 T HA 0.290 4.640 4.350 -0.000 0.000 0.296 153 T C -2.109 172.634 174.700 0.072 0.000 0.928 153 T CA -0.683 61.454 62.100 0.062 0.000 1.045 153 T CB 0.956 69.853 68.868 0.047 0.000 0.902 153 T HN 0.592 nan 8.240 nan 0.000 0.500 154 P HA 0.214 nan 4.420 nan 0.000 0.272 154 P C -0.824 176.539 177.300 0.104 0.000 1.223 154 P CA -0.583 62.572 63.100 0.092 0.000 0.784 154 P CB 0.612 32.356 31.700 0.073 0.000 0.923 155 F N 4.237 124.193 119.950 0.011 0.000 2.334 155 F HA 0.328 4.855 4.527 0.000 0.000 0.367 155 F C -1.918 173.883 175.800 0.002 0.000 1.115 155 F CA -3.031 54.972 58.000 0.005 0.000 1.116 155 F CB 0.601 39.606 39.000 0.008 0.000 1.230 155 F HN 0.140 nan 8.300 nan 0.000 0.484 156 P HA 0.113 nan 4.420 nan 0.000 0.260 156 P C 0.634 178.038 177.300 0.174 0.000 1.172 156 P CA 1.400 64.497 63.100 -0.005 0.000 0.760 156 P CB 0.714 32.330 31.700 -0.140 0.000 0.773 157 G N 3.153 112.045 108.800 0.153 0.000 2.258 157 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.233 157 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.233 157 G C 0.029 175.019 174.900 0.150 0.000 1.006 157 G CA -0.180 45.014 45.100 0.156 0.000 0.620 157 G HN 0.536 nan 8.290 nan 0.000 0.511 158 I N 1.942 122.637 120.570 0.210 0.000 2.406 158 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 158 I C -0.375 175.794 176.117 0.086 0.000 0.999 158 I CA -0.614 60.741 61.300 0.090 0.000 1.124 158 I CB 2.209 40.190 38.000 -0.032 0.000 1.289 158 I HN -0.006 nan 8.210 nan 0.000 0.441 159 T N 6.948 121.526 114.554 0.041 0.000 2.756 159 T HA 0.509 4.859 4.350 -0.000 0.000 0.290 159 T C 0.110 174.820 174.700 0.016 0.000 0.985 159 T CA -0.350 61.772 62.100 0.036 0.000 0.955 159 T CB 0.668 69.552 68.868 0.026 0.000 0.930 159 T HN 0.262 nan 8.240 nan 0.000 0.451 160 I N 3.832 124.415 120.570 0.023 0.000 2.496 160 I HA 0.131 4.301 4.170 -0.000 0.000 0.285 160 I C 0.773 176.892 176.117 0.002 0.000 1.080 160 I CA -0.087 61.217 61.300 0.007 0.000 1.404 160 I CB 0.767 38.777 38.000 0.017 0.000 1.403 160 I HN 0.717 nan 8.210 nan 0.000 0.539 161 D N 4.512 124.906 120.400 -0.011 0.000 2.503 161 D HA -0.016 4.624 4.640 -0.000 0.000 0.218 161 D C 0.332 176.621 176.300 -0.018 0.000 1.183 161 D CA -0.150 53.843 54.000 -0.011 0.000 0.827 161 D CB 0.206 40.996 40.800 -0.015 0.000 1.034 161 D HN 0.410 nan 8.370 nan 0.000 0.510 162 E N 0.008 120.194 120.200 -0.022 0.000 2.722 162 E HA -0.236 4.114 4.350 -0.000 0.000 0.265 162 E C 0.076 176.651 176.600 -0.042 0.000 1.081 162 E CA 1.309 57.691 56.400 -0.029 0.000 0.781 162 E CB -1.367 28.323 29.700 -0.018 0.000 1.372 162 E HN 0.587 nan 8.360 nan 0.000 0.423 163 D N -0.847 119.523 120.400 -0.050 0.000 3.136 163 D HA 0.086 4.726 4.640 -0.000 0.000 0.254 163 D C 1.652 177.903 176.300 -0.082 0.000 1.563 163 D CA 2.041 56.005 54.000 -0.060 0.000 1.225 163 D CB -0.223 40.549 40.800 -0.047 0.000 1.079 163 D HN 0.119 nan 8.370 nan 0.000 0.314 164 T N -1.399 113.110 114.554 -0.076 0.000 3.014 164 T HA 0.353 4.703 4.350 -0.000 0.000 0.250 164 T C 1.055 175.701 174.700 -0.091 0.000 1.060 164 T CA -0.069 61.976 62.100 -0.091 0.000 1.040 164 T CB 0.442 69.263 68.868 -0.079 0.000 0.971 164 T HN 0.117 nan 8.240 nan 0.000 0.497 165 I N 3.435 123.962 120.570 -0.072 0.000 2.390 165 I HA 0.506 4.676 4.170 -0.000 0.000 0.283 165 I C -0.542 175.542 176.117 -0.055 0.000 1.016 165 I CA -1.243 60.017 61.300 -0.066 0.000 1.151 165 I CB 1.734 39.702 38.000 -0.053 0.000 1.293 165 I HN 0.104 nan 8.210 nan 0.000 0.458 166 V N 2.626 122.505 119.914 -0.059 0.000 2.960 166 V HA 0.761 4.881 4.120 -0.000 0.000 0.315 166 V C 0.157 176.241 176.094 -0.017 0.000 1.087 166 V CA -0.506 61.769 62.300 -0.042 0.000 0.982 166 V CB 1.707 33.491 31.823 -0.064 0.000 1.039 166 V HN 0.701 nan 8.190 nan 0.000 0.437 167 S N 1.319 117.019 115.700 0.001 0.000 2.666 167 S HA 0.355 4.825 4.470 -0.000 0.000 0.279 167 S C 1.439 176.057 174.600 0.029 0.000 1.149 167 S CA 0.172 58.385 58.200 0.023 0.000 1.020 167 S CB 0.936 64.152 63.200 0.026 0.000 1.127 167 S HN 1.841 nan 8.310 nan 0.000 0.537 168 S N -0.060 115.668 115.700 0.046 0.000 2.399 168 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 168 S C 1.724 176.356 174.600 0.054 0.000 1.022 168 S CA 1.523 59.761 58.200 0.062 0.000 0.983 168 S CB -1.606 61.635 63.200 0.069 0.000 0.803 168 S HN 0.765 nan 8.310 nan 0.000 0.480 169 T N 2.095 116.668 114.554 0.033 0.000 2.708 169 T HA 0.011 4.361 4.350 -0.000 0.000 0.266 169 T C 2.035 176.750 174.700 0.024 0.000 1.037 169 T CA 1.554 63.668 62.100 0.023 0.000 1.146 169 T CB -1.075 67.797 68.868 0.007 0.000 0.865 169 T HN 0.647 nan 8.240 nan 0.000 0.435 170 G N 0.803 109.609 108.800 0.010 0.000 2.408 170 G HA2 0.041 4.001 3.960 -0.000 0.000 0.217 170 G HA3 0.041 4.001 3.960 -0.000 0.000 0.217 170 G C 1.801 176.696 174.900 -0.009 0.000 1.150 170 G CA 0.769 45.864 45.100 -0.009 0.000 0.776 170 G HN 0.570 nan 8.290 nan 0.000 0.542 171 A N 0.477 123.305 122.820 0.014 0.000 2.019 171 A HA 0.157 4.477 4.320 -0.000 0.000 0.219 171 A C 2.256 179.990 177.584 0.250 0.000 1.164 171 A CA 0.847 52.914 52.037 0.050 0.000 0.644 171 A CB -0.289 18.769 19.000 0.097 0.000 0.805 171 A HN 0.356 nan 8.150 nan 0.000 0.449 172 L N -0.540 120.792 121.223 0.182 0.000 2.552 172 L HA 0.017 4.357 4.340 -0.000 0.000 0.227 172 L C 0.851 177.829 176.870 0.181 0.000 1.146 172 L CA 0.692 55.646 54.840 0.189 0.000 0.858 172 L CB 0.176 42.292 42.059 0.095 0.000 0.969 172 L HN 0.248 nan 8.230 nan 0.000 0.451 173 S N -0.531 115.256 115.700 0.145 0.000 2.941 173 S HA 0.317 4.787 4.470 -0.000 0.000 0.251 173 S C 0.300 174.941 174.600 0.068 0.000 1.029 173 S CA -0.526 57.737 58.200 0.106 0.000 1.062 173 S CB 0.297 63.525 63.200 0.047 0.000 0.977 173 S HN 0.074 nan 8.310 nan 0.000 0.552 174 L N 1.905 123.157 121.223 0.047 0.000 2.529 174 L HA 0.098 4.438 4.340 -0.000 0.000 0.287 174 L C 1.432 178.284 176.870 -0.030 0.000 1.241 174 L CA 0.099 54.849 54.840 -0.150 0.000 0.857 174 L CB 0.385 42.061 42.059 -0.639 0.000 1.113 174 L HN 0.089 nan 8.230 nan 0.000 0.504 175 K N 2.324 122.683 120.400 -0.068 0.000 2.393 175 K HA 0.089 4.409 4.320 -0.000 0.000 0.193 175 K C -0.070 176.518 176.600 -0.020 0.000 1.026 175 K CA 0.440 56.713 56.287 -0.023 0.000 1.064 175 K CB 0.171 32.651 32.500 -0.033 0.000 0.833 175 K HN 0.620 nan 8.250 nan 0.000 0.521 176 K N -1.755 118.610 120.400 -0.059 0.000 2.579 176 K HA 0.288 4.608 4.320 -0.000 0.000 0.284 176 K C -0.853 175.698 176.600 -0.081 0.000 0.990 176 K CA -0.841 55.423 56.287 -0.037 0.000 0.880 176 K CB 1.352 33.820 32.500 -0.054 0.000 1.488 176 K HN -0.309 nan 8.250 nan 0.000 0.425 177 V N 3.073 122.991 119.914 0.007 0.000 2.470 177 V HA 0.219 4.339 4.120 -0.000 0.000 0.276 177 V C -1.710 174.328 176.094 -0.093 0.000 1.040 177 V CA -1.058 61.262 62.300 0.032 0.000 1.008 177 V CB 0.329 32.216 31.823 0.107 0.000 0.990 177 V HN 0.735 nan 8.190 nan 0.000 0.477 178 P HA 0.133 nan 4.420 nan 0.000 0.275 178 P C 0.539 177.777 177.300 -0.102 0.000 1.228 178 P CA -0.229 62.763 63.100 -0.181 0.000 0.786 178 P CB 1.428 32.963 31.700 -0.274 0.000 0.927 179 E N 2.167 122.317 120.200 -0.082 0.000 2.072 179 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 179 E C 0.212 176.777 176.600 -0.059 0.000 0.985 179 E CA 1.013 57.380 56.400 -0.054 0.000 0.801 179 E CB 0.197 29.870 29.700 -0.045 0.000 0.750 179 E HN 0.343 nan 8.360 nan 0.000 0.452 180 K N 0.219 120.573 120.400 -0.077 0.000 2.468 180 K HA 0.377 4.697 4.320 -0.000 0.000 0.252 180 K C -1.450 175.087 176.600 -0.105 0.000 0.932 180 K CA -0.580 55.659 56.287 -0.079 0.000 0.794 180 K CB 1.757 34.219 32.500 -0.063 0.000 1.241 180 K HN 0.039 nan 8.250 nan 0.000 0.428 181 M N 4.106 123.638 119.600 -0.113 0.000 2.446 181 M HA 0.465 4.945 4.480 -0.000 0.000 0.294 181 M C -1.797 174.438 176.300 -0.108 0.000 1.158 181 M CA -0.866 54.356 55.300 -0.131 0.000 0.899 181 M CB 1.995 34.497 32.600 -0.163 0.000 1.687 181 M HN 0.381 nan 8.290 nan 0.000 0.455 182 V N 4.414 124.272 119.914 -0.094 0.000 2.495 182 V HA 0.582 4.702 4.120 -0.000 0.000 0.298 182 V C -0.860 175.204 176.094 -0.051 0.000 1.031 182 V CA -0.672 61.588 62.300 -0.067 0.000 0.871 182 V CB 2.091 33.876 31.823 -0.063 0.000 0.988 182 V HN 0.696 nan 8.190 nan 0.000 0.432 183 V N 6.146 126.055 119.914 -0.009 0.000 2.384 183 V HA 0.481 4.601 4.120 -0.000 0.000 0.287 183 V C -0.097 176.032 176.094 0.057 0.000 1.020 183 V CA -0.453 61.868 62.300 0.035 0.000 0.850 183 V CB 1.699 33.583 31.823 0.102 0.000 0.987 183 V HN 0.660 nan 8.190 nan 0.000 0.436 184 I N 4.792 125.387 120.570 0.042 0.000 2.301 184 I HA 0.653 4.823 4.170 -0.000 0.000 0.292 184 I C 0.789 176.982 176.117 0.127 0.000 1.046 184 I CA 0.148 61.487 61.300 0.066 0.000 1.282 184 I CB 0.890 38.892 38.000 0.003 0.000 1.409 184 I HN 0.892 nan 8.210 nan 0.000 0.484 185 G N 4.507 113.397 108.800 0.151 0.000 3.438 185 G HA2 0.118 4.078 3.960 -0.000 0.000 0.684 185 G HA3 0.118 4.078 3.960 -0.000 0.000 0.684 185 G C -0.316 174.687 174.900 0.173 0.000 1.192 185 G CA -0.352 44.843 45.100 0.158 0.000 1.013 185 G HN 0.870 nan 8.290 nan 0.000 0.530 186 A N 1.712 124.627 122.820 0.160 0.000 2.708 186 A HA 0.771 5.091 4.320 -0.000 0.000 0.293 186 A C 1.446 179.122 177.584 0.153 0.000 1.303 186 A CA 1.114 53.263 52.037 0.187 0.000 0.949 186 A CB -0.181 18.923 19.000 0.173 0.000 1.121 186 A HN 2.079 nan 8.150 nan 0.000 0.542 187 G N -1.074 107.823 108.800 0.162 0.000 2.516 187 G HA2 0.339 4.299 3.960 -0.000 0.000 0.276 187 G HA3 0.339 4.299 3.960 -0.000 0.000 0.276 187 G C 1.143 176.181 174.900 0.229 0.000 1.390 187 G CA 0.265 45.472 45.100 0.179 0.000 1.050 187 G HN 0.144 nan 8.290 nan 0.000 0.519 188 V N 0.144 120.204 119.914 0.243 0.000 2.252 188 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 188 V C 2.870 179.108 176.094 0.241 0.000 1.056 188 V CA 1.964 64.421 62.300 0.262 0.000 1.022 188 V CB -0.779 31.183 31.823 0.231 0.000 0.641 188 V HN 0.572 nan 8.190 nan 0.000 0.445 189 I N 0.565 121.254 120.570 0.198 0.000 2.163 189 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 189 I C 2.607 178.844 176.117 0.200 0.000 1.085 189 I CA 1.798 63.205 61.300 0.178 0.000 1.347 189 I CB -0.985 37.099 38.000 0.140 0.000 1.044 189 I HN 0.426 nan 8.210 nan 0.000 0.408 190 G N 0.828 109.755 108.800 0.211 0.000 2.421 190 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 190 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 190 G C 1.757 176.857 174.900 0.333 0.000 1.171 190 G CA 1.371 46.615 45.100 0.239 0.000 0.775 190 G HN 0.393 nan 8.290 nan 0.000 0.543 191 V N -1.306 118.826 119.914 0.363 0.000 2.427 191 V HA -0.061 4.059 4.120 -0.000 0.000 0.248 191 V C 2.263 178.630 176.094 0.456 0.000 1.051 191 V CA 2.267 64.856 62.300 0.481 0.000 1.048 191 V CB -0.747 31.277 31.823 0.336 0.000 0.666 191 V HN 0.435 nan 8.190 nan 0.000 0.456 192 E N 0.918 121.318 120.200 0.334 0.000 2.023 192 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 192 E C 2.285 178.998 176.600 0.188 0.000 1.003 192 E CA 2.023 58.578 56.400 0.258 0.000 0.809 192 E CB -0.377 29.456 29.700 0.221 0.000 0.755 192 E HN 0.590 nan 8.360 nan 0.000 0.449 193 L N 0.381 121.715 121.223 0.185 0.000 2.079 193 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 193 L C 2.595 179.567 176.870 0.170 0.000 1.081 193 L CA 1.209 56.152 54.840 0.171 0.000 0.752 193 L CB -0.724 41.457 42.059 0.202 0.000 0.896 193 L HN 0.263 nan 8.230 nan 0.000 0.433 194 G N -1.338 107.546 108.800 0.140 0.000 2.408 194 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 194 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 194 G C 1.809 176.492 174.900 -0.363 0.000 1.150 194 G CA 0.943 45.961 45.100 -0.136 0.000 0.776 194 G HN 0.330 nan 8.290 nan 0.000 0.542 195 S N -0.497 115.169 115.700 -0.056 0.000 2.368 195 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 195 S C 2.533 177.075 174.600 -0.096 0.000 1.029 195 S CA 1.259 59.450 58.200 -0.015 0.000 0.988 195 S CB -0.274 63.067 63.200 0.235 0.000 0.838 195 S HN 0.122 nan 8.310 nan 0.000 0.462 196 V N 0.307 120.147 119.914 -0.124 0.000 2.231 196 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 196 V C 1.988 177.810 176.094 -0.454 0.000 1.054 196 V CA 2.222 64.332 62.300 -0.317 0.000 1.015 196 V CB -0.862 30.669 31.823 -0.486 0.000 0.638 196 V HN 0.689 nan 8.190 nan 0.000 0.444 197 W N -0.730 120.492 121.300 -0.129 0.000 2.467 197 W HA -0.108 4.552 4.660 -0.000 0.000 0.275 197 W C 2.632 179.043 176.519 -0.180 0.000 1.239 197 W CA 1.024 58.277 57.345 -0.154 0.000 1.266 197 W CB -0.297 29.069 29.460 -0.157 0.000 1.112 197 W HN 0.184 nan 8.180 nan 0.000 0.576 198 Q N 1.341 121.088 119.800 -0.088 0.000 2.084 198 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 198 Q C 1.951 177.903 176.000 -0.081 0.000 0.978 198 Q CA 1.559 57.279 55.803 -0.139 0.000 0.844 198 Q CB -0.209 28.356 28.738 -0.289 0.000 0.898 198 Q HN 0.325 nan 8.270 nan 0.000 0.426 199 R N -0.145 120.296 120.500 -0.098 0.000 2.092 199 R HA -0.003 4.337 4.340 -0.000 0.000 0.231 199 R C 2.363 178.677 176.300 0.023 0.000 1.119 199 R CA 0.995 57.070 56.100 -0.041 0.000 0.970 199 R CB -0.200 30.082 30.300 -0.030 0.000 0.864 199 R HN 0.247 nan 8.270 nan 0.000 0.440 200 L N -0.469 120.686 121.223 -0.114 0.000 2.622 200 L HA 0.099 4.439 4.340 -0.000 0.000 0.233 200 L C 1.117 177.928 176.870 -0.099 0.000 1.156 200 L CA 0.723 55.423 54.840 -0.233 0.000 0.866 200 L CB -0.009 41.868 42.059 -0.302 0.000 0.980 200 L HN 0.567 nan 8.230 nan 0.000 0.448 201 G N -0.709 108.087 108.800 -0.007 0.000 2.205 201 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.180 201 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.180 201 G C 0.286 175.195 174.900 0.016 0.000 1.004 201 G CA -0.199 44.908 45.100 0.012 0.000 0.670 201 G HN 0.413 nan 8.290 nan 0.000 0.496 202 A N 0.371 123.209 122.820 0.029 0.000 2.340 202 A HA 0.551 4.871 4.320 -0.000 0.000 0.268 202 A C 0.103 177.661 177.584 -0.044 0.000 1.100 202 A CA 0.337 52.374 52.037 0.001 0.000 0.803 202 A CB 0.584 19.605 19.000 0.034 0.000 1.043 202 A HN 0.332 nan 8.150 nan 0.000 0.488 203 D N 2.323 122.690 120.400 -0.054 0.000 2.365 203 D HA 0.376 5.016 4.640 -0.000 0.000 0.237 203 D C -0.813 175.425 176.300 -0.102 0.000 1.190 203 D CA 0.157 54.119 54.000 -0.063 0.000 0.867 203 D CB 0.660 41.434 40.800 -0.042 0.000 1.050 203 D HN 0.108 nan 8.370 nan 0.000 0.491 204 V N 3.482 123.299 119.914 -0.161 0.000 2.513 204 V HA 0.512 4.632 4.120 -0.000 0.000 0.299 204 V C 0.343 176.322 176.094 -0.191 0.000 1.035 204 V CA -0.590 61.565 62.300 -0.242 0.000 0.889 204 V CB 2.094 33.616 31.823 -0.503 0.000 0.988 204 V HN 0.552 nan 8.190 nan 0.000 0.440 205 T N 3.442 117.922 114.554 -0.123 0.000 2.928 205 T HA 0.682 5.032 4.350 -0.000 0.000 0.296 205 T C -0.304 174.393 174.700 -0.005 0.000 1.000 205 T CA -0.302 61.763 62.100 -0.059 0.000 0.989 205 T CB 1.623 70.467 68.868 -0.041 0.000 1.005 205 T HN 0.951 nan 8.240 nan 0.000 0.442 206 A N 2.914 125.741 122.820 0.011 0.000 2.305 206 A HA 0.795 5.115 4.320 -0.000 0.000 0.322 206 A C -0.336 177.316 177.584 0.113 0.000 1.187 206 A CA -0.574 51.526 52.037 0.105 0.000 0.825 206 A CB 0.676 19.802 19.000 0.209 0.000 1.164 206 A HN 0.677 nan 8.150 nan 0.000 0.498 207 V N 2.249 122.230 119.914 0.113 0.000 2.417 207 V HA 0.575 4.695 4.120 -0.000 0.000 0.291 207 V C -0.319 175.860 176.094 0.141 0.000 1.024 207 V CA -0.369 61.997 62.300 0.111 0.000 0.861 207 V CB 1.309 33.177 31.823 0.076 0.000 0.985 207 V HN 1.011 nan 8.190 nan 0.000 0.436 208 E N 2.853 123.135 120.200 0.136 0.000 2.275 208 E HA 0.381 4.731 4.350 -0.000 0.000 0.270 208 E C -0.130 176.550 176.600 0.133 0.000 0.882 208 E CA -0.656 55.826 56.400 0.137 0.000 0.758 208 E CB 1.531 31.283 29.700 0.087 0.000 1.195 208 E HN 0.362 nan 8.360 nan 0.000 0.419 209 F N 4.278 124.251 119.950 0.038 0.000 2.102 209 F HA 0.106 4.633 4.527 -0.000 0.000 0.298 209 F C 0.488 176.288 175.800 -0.000 0.000 1.105 209 F CA 1.142 59.160 58.000 0.029 0.000 1.239 209 F CB 0.127 39.148 39.000 0.036 0.000 0.991 209 F HN 0.466 nan 8.300 nan 0.000 0.474 210 L N -0.638 120.613 121.223 0.045 0.000 2.475 210 L HA 0.164 4.504 4.340 -0.000 0.000 0.250 210 L C 1.743 178.531 176.870 -0.136 0.000 1.224 210 L CA 0.245 55.042 54.840 -0.072 0.000 0.821 210 L CB -0.299 41.711 42.059 -0.082 0.000 1.141 210 L HN 0.118 nan 8.230 nan 0.000 0.494 211 G N -1.187 107.562 108.800 -0.084 0.000 3.233 211 G HA2 0.104 4.064 3.960 -0.000 0.000 0.227 211 G HA3 0.104 4.064 3.960 -0.000 0.000 0.227 211 G C 0.157 175.056 174.900 -0.003 0.000 1.175 211 G CA 0.022 45.093 45.100 -0.048 0.000 0.781 211 G HN 0.769 nan 8.290 nan 0.000 0.542 212 H N -2.223 116.809 119.070 -0.065 0.000 3.017 212 H HA 0.547 5.103 4.556 -0.000 0.000 0.346 212 H C -1.288 173.982 175.328 -0.096 0.000 1.286 212 H CA -0.821 55.167 56.048 -0.099 0.000 1.120 212 H CB 1.367 31.079 29.762 -0.083 0.000 1.860 212 H HN 0.139 nan 8.280 nan 0.000 0.542 213 V N -1.359 118.508 119.914 -0.078 0.000 2.716 213 V HA 0.728 4.848 4.120 -0.000 0.000 0.304 213 V C 0.991 177.197 176.094 0.188 0.000 1.053 213 V CA 0.401 62.639 62.300 -0.103 0.000 0.984 213 V CB 0.726 32.297 31.823 -0.420 0.000 1.021 213 V HN 1.453 nan 8.190 nan 0.000 0.467 214 G N 0.947 109.880 108.800 0.222 0.000 2.184 214 G HA2 0.318 4.278 3.960 -0.000 0.000 0.206 214 G HA3 0.318 4.278 3.960 -0.000 0.000 0.206 214 G C 1.481 176.589 174.900 0.346 0.000 0.995 214 G CA 0.311 45.614 45.100 0.339 0.000 0.651 214 G HN 2.937 nan 8.290 nan 0.000 0.511 215 G N -1.608 107.365 108.800 0.288 0.000 2.698 215 G HA2 0.124 4.084 3.960 -0.000 0.000 0.233 215 G HA3 0.124 4.084 3.960 -0.000 0.000 0.233 215 G C 0.236 175.362 174.900 0.376 0.000 1.352 215 G CA 0.153 45.428 45.100 0.291 0.000 0.879 215 G HN 1.515 nan 8.290 nan 0.000 0.567 216 V N 1.439 121.524 119.914 0.285 0.000 2.740 216 V HA 0.426 4.546 4.120 -0.000 0.000 0.303 216 V C 2.121 178.361 176.094 0.242 0.000 1.054 216 V CA 1.942 64.383 62.300 0.235 0.000 1.106 216 V CB 0.405 32.336 31.823 0.180 0.000 0.957 216 V HN 2.847 nan 8.190 nan 0.000 0.486 217 G N 3.714 112.590 108.800 0.127 0.000 2.257 217 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 217 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 217 G C 0.370 175.168 174.900 -0.170 0.000 0.984 217 G CA 0.468 45.628 45.100 0.101 0.000 0.626 217 G HN 0.756 nan 8.290 nan 0.000 0.540 218 I N 1.600 121.950 120.570 -0.368 0.000 2.754 218 I HA 0.301 4.471 4.170 -0.000 0.000 0.285 218 I C 0.558 176.254 176.117 -0.701 0.000 1.166 218 I CA -0.086 60.603 61.300 -1.018 0.000 1.417 218 I CB 0.507 38.039 38.000 -0.780 0.000 1.382 218 I HN 0.248 nan 8.210 nan 0.000 0.588 219 D N 6.129 126.087 120.400 -0.737 0.000 2.390 219 D HA 0.015 4.655 4.640 -0.000 0.000 0.249 219 D C 1.065 177.109 176.300 -0.426 0.000 1.144 219 D CA -0.277 53.380 54.000 -0.572 0.000 0.880 219 D CB 0.958 41.305 40.800 -0.756 0.000 1.182 219 D HN 0.413 nan 8.370 nan 0.000 0.451 220 M N 2.515 121.906 119.600 -0.349 0.000 2.108 220 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 220 M C 1.805 177.993 176.300 -0.186 0.000 1.066 220 M CA 1.563 56.705 55.300 -0.264 0.000 1.107 220 M CB -0.984 31.494 32.600 -0.203 0.000 1.356 220 M HN 0.712 nan 8.290 nan 0.000 0.406 221 E N 0.189 120.282 120.200 -0.178 0.000 2.077 221 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 221 E C 1.976 178.512 176.600 -0.107 0.000 0.989 221 E CA 0.978 57.305 56.400 -0.121 0.000 0.800 221 E CB 0.169 29.805 29.700 -0.108 0.000 0.746 221 E HN 0.292 nan 8.360 nan 0.000 0.452 222 I N 0.995 121.472 120.570 -0.155 0.000 2.142 222 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 222 I C 2.683 178.765 176.117 -0.058 0.000 1.078 222 I CA 1.272 62.504 61.300 -0.114 0.000 1.343 222 I CB -1.470 36.422 38.000 -0.179 0.000 1.046 222 I HN 0.200 nan 8.210 nan 0.000 0.405 223 S N 0.575 116.209 115.700 -0.109 0.000 2.365 223 S HA -0.263 4.207 4.470 -0.000 0.000 0.225 223 S C 2.074 176.682 174.600 0.013 0.000 1.039 223 S CA 1.887 60.083 58.200 -0.006 0.000 1.033 223 S CB -0.073 63.084 63.200 -0.072 0.000 0.887 223 S HN 0.242 nan 8.310 nan 0.000 0.447 224 K N 1.380 121.754 120.400 -0.043 0.000 2.057 224 K HA 0.070 4.390 4.320 -0.000 0.000 0.207 224 K C 1.973 178.557 176.600 -0.027 0.000 1.049 224 K CA 1.561 57.816 56.287 -0.053 0.000 0.931 224 K CB -0.277 32.190 32.500 -0.056 0.000 0.714 224 K HN 0.344 nan 8.250 nan 0.000 0.440 225 N N -0.240 118.465 118.700 0.009 0.000 2.188 225 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 225 N C 1.474 177.046 175.510 0.103 0.000 1.018 225 N CA 0.792 53.864 53.050 0.038 0.000 0.858 225 N CB -0.351 38.158 38.487 0.036 0.000 0.989 225 N HN 0.093 nan 8.380 nan 0.000 0.426 226 F N 2.300 122.207 119.950 -0.071 0.000 2.069 226 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 226 F C 2.516 178.251 175.800 -0.107 0.000 1.113 226 F CA 1.580 59.539 58.000 -0.068 0.000 1.214 226 F CB -0.924 38.035 39.000 -0.068 0.000 0.978 226 F HN 0.100 nan 8.300 nan 0.000 0.474 227 Q N 0.326 119.965 119.800 -0.269 0.000 2.077 227 Q HA -0.300 4.040 4.340 -0.000 0.000 0.206 227 Q C 2.603 178.442 176.000 -0.268 0.000 0.989 227 Q CA 2.307 57.794 55.803 -0.526 0.000 0.853 227 Q CB -0.468 27.965 28.738 -0.509 0.000 0.907 227 Q HN 0.463 nan 8.270 nan 0.000 0.418 228 R N 0.082 120.507 120.500 -0.126 0.000 2.091 228 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 228 R C 2.201 178.498 176.300 -0.005 0.000 1.136 228 R CA 1.693 57.768 56.100 -0.042 0.000 0.959 228 R CB -0.334 29.958 30.300 -0.015 0.000 0.856 228 R HN 0.395 nan 8.270 nan 0.000 0.437 229 I N 0.872 121.447 120.570 0.008 0.000 2.252 229 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 229 I C 2.214 178.358 176.117 0.044 0.000 1.102 229 I CA 1.027 62.358 61.300 0.052 0.000 1.385 229 I CB -0.131 37.934 38.000 0.108 0.000 1.064 229 I HN 0.203 nan 8.210 nan 0.000 0.414 230 L N -0.125 121.075 121.223 -0.038 0.000 2.083 230 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 230 L C 2.585 179.541 176.870 0.143 0.000 1.083 230 L CA 1.370 56.225 54.840 0.024 0.000 0.752 230 L CB -0.613 41.356 42.059 -0.150 0.000 0.899 230 L HN 0.323 nan 8.230 nan 0.000 0.433 231 Q N -0.053 119.823 119.800 0.127 0.000 2.119 231 Q HA -0.247 4.093 4.340 -0.000 0.000 0.201 231 Q C 2.156 178.223 176.000 0.111 0.000 0.972 231 Q CA 1.378 57.273 55.803 0.154 0.000 0.847 231 Q CB -0.047 28.769 28.738 0.130 0.000 0.903 231 Q HN 0.191 nan 8.270 nan 0.000 0.433 232 K N 1.081 121.533 120.400 0.087 0.000 2.209 232 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 232 K C 1.716 178.371 176.600 0.092 0.000 1.048 232 K CA 1.297 57.634 56.287 0.082 0.000 0.940 232 K CB 0.122 32.667 32.500 0.075 0.000 0.729 232 K HN 0.178 nan 8.250 nan 0.000 0.451 233 Q N -1.579 118.282 119.800 0.102 0.000 2.369 233 Q HA 0.078 4.418 4.340 -0.000 0.000 0.206 233 Q C 0.752 176.797 176.000 0.075 0.000 0.963 233 Q CA 0.909 56.764 55.803 0.085 0.000 0.894 233 Q CB 0.382 29.168 28.738 0.081 0.000 0.965 233 Q HN 0.565 nan 8.270 nan 0.000 0.475 234 G N 0.109 108.971 108.800 0.103 0.000 2.205 234 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.180 234 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.180 234 G C -0.437 174.526 174.900 0.105 0.000 1.004 234 G CA -0.557 44.592 45.100 0.083 0.000 0.670 234 G HN 0.262 nan 8.290 nan 0.000 0.496 235 F N 3.475 123.389 119.950 -0.060 0.000 2.444 235 F HA 0.633 5.160 4.527 -0.000 0.000 0.360 235 F C 0.606 176.236 175.800 -0.283 0.000 1.106 235 F CA -1.188 56.702 58.000 -0.183 0.000 1.170 235 F CB 0.414 39.328 39.000 -0.143 0.000 1.113 235 F HN 0.030 nan 8.300 nan 0.000 0.521 236 K N 5.972 126.416 120.400 0.074 0.000 2.118 236 K HA 0.531 4.851 4.320 -0.000 0.000 0.267 236 K C -1.310 175.042 176.600 -0.412 0.000 0.991 236 K CA -0.384 55.854 56.287 -0.082 0.000 0.916 236 K CB 1.346 33.841 32.500 -0.009 0.000 1.041 236 K HN 0.382 nan 8.250 nan 0.000 0.455 237 F N 0.918 120.879 119.950 0.019 0.000 2.577 237 F HA 0.407 4.934 4.527 -0.000 0.000 0.318 237 F C 0.036 175.830 175.800 -0.010 0.000 1.065 237 F CA -1.056 56.930 58.000 -0.024 0.000 0.929 237 F CB 1.672 40.597 39.000 -0.125 0.000 1.237 237 F HN 0.043 nan 8.300 nan 0.000 0.468 238 K N 4.059 124.571 120.400 0.188 0.000 2.646 238 K HA 0.428 4.748 4.320 -0.000 0.000 0.210 238 K C -0.854 175.800 176.600 0.089 0.000 1.020 238 K CA -0.131 56.219 56.287 0.104 0.000 1.040 238 K CB 1.044 33.584 32.500 0.068 0.000 1.253 238 K HN 0.551 nan 8.250 nan 0.000 0.532 239 L N 0.991 122.249 121.223 0.057 0.000 2.468 239 L HA 0.287 4.627 4.340 -0.000 0.000 0.254 239 L C 0.774 177.616 176.870 -0.046 0.000 1.171 239 L CA -0.701 54.139 54.840 -0.001 0.000 0.809 239 L CB 0.210 42.244 42.059 -0.042 0.000 1.155 239 L HN 0.593 nan 8.230 nan 0.000 0.473 240 N N 0.012 118.643 118.700 -0.115 0.000 2.716 240 N HA -0.151 4.589 4.740 -0.000 0.000 0.250 240 N C -0.624 174.788 175.510 -0.163 0.000 1.033 240 N CA 0.912 53.835 53.050 -0.212 0.000 0.727 240 N CB -1.187 37.206 38.487 -0.158 0.000 0.950 240 N HN 0.696 nan 8.380 nan 0.000 0.541 241 T N 0.188 114.691 114.554 -0.085 0.000 2.893 241 T HA 0.393 4.743 4.350 -0.000 0.000 0.293 241 T C 0.122 174.901 174.700 0.132 0.000 1.027 241 T CA -0.717 61.391 62.100 0.013 0.000 0.988 241 T CB 2.993 71.885 68.868 0.041 0.000 1.043 241 T HN 0.103 nan 8.240 nan 0.000 0.461 242 K N 2.106 122.616 120.400 0.184 0.000 2.203 242 K HA 0.690 5.010 4.320 -0.000 0.000 0.251 242 K C -1.171 175.555 176.600 0.209 0.000 0.944 242 K CA -0.654 55.816 56.287 0.306 0.000 0.829 242 K CB 1.460 34.163 32.500 0.338 0.000 1.125 242 K HN 0.350 nan 8.250 nan 0.000 0.430 243 V N 3.245 123.308 119.914 0.248 0.000 2.394 243 V HA 0.117 4.237 4.120 -0.000 0.000 0.282 243 V C 1.184 177.414 176.094 0.227 0.000 1.031 243 V CA -0.348 62.047 62.300 0.159 0.000 0.881 243 V CB 1.290 33.127 31.823 0.024 0.000 0.982 243 V HN 1.068 nan 8.190 nan 0.000 0.451 244 T N 0.638 115.271 114.554 0.132 0.000 3.037 244 T HA 0.483 4.833 4.350 -0.000 0.000 0.252 244 T C 0.706 175.479 174.700 0.123 0.000 1.073 244 T CA 0.494 62.678 62.100 0.140 0.000 1.091 244 T CB 0.530 69.452 68.868 0.090 0.000 0.935 244 T HN 1.160 nan 8.240 nan 0.000 0.488 245 G N -0.135 108.693 108.800 0.046 0.000 2.328 245 G HA2 0.586 4.546 3.960 -0.000 0.000 0.295 245 G HA3 0.586 4.546 3.960 -0.000 0.000 0.295 245 G C -2.059 172.807 174.900 -0.057 0.000 1.413 245 G CA -0.435 44.672 45.100 0.010 0.000 0.817 245 G HN 0.710 nan 8.290 nan 0.000 0.546 246 A N -0.490 122.294 122.820 -0.060 0.000 2.515 246 A HA 1.014 5.334 4.320 -0.000 0.000 0.298 246 A C -0.258 177.301 177.584 -0.042 0.000 1.059 246 A CA 0.120 52.114 52.037 -0.071 0.000 0.698 246 A CB 1.953 20.883 19.000 -0.116 0.000 1.289 246 A HN 2.200 nan 8.150 nan 0.000 0.404 247 T N -0.449 114.083 114.554 -0.038 0.000 2.971 247 T HA 0.566 4.916 4.350 -0.000 0.000 0.304 247 T C -0.763 173.918 174.700 -0.031 0.000 1.038 247 T CA -0.845 61.239 62.100 -0.027 0.000 1.007 247 T CB 1.154 70.011 68.868 -0.017 0.000 1.055 247 T HN 0.611 nan 8.240 nan 0.000 0.451 248 K N 2.776 123.159 120.400 -0.028 0.000 2.350 248 K HA 0.317 4.637 4.320 -0.000 0.000 0.279 248 K C 0.405 176.989 176.600 -0.026 0.000 1.027 248 K CA -0.709 55.560 56.287 -0.030 0.000 0.969 248 K CB 0.611 33.094 32.500 -0.028 0.000 0.954 248 K HN 0.442 nan 8.250 nan 0.000 0.474 249 K N 0.675 121.058 120.400 -0.028 0.000 2.177 249 K HA 0.107 4.427 4.320 -0.000 0.000 0.238 249 K C 1.370 177.956 176.600 -0.022 0.000 1.015 249 K CA -0.306 55.967 56.287 -0.024 0.000 0.922 249 K CB 1.218 33.703 32.500 -0.025 0.000 1.127 249 K HN 0.673 nan 8.250 nan 0.000 0.469 250 S N 0.106 115.795 115.700 -0.018 0.000 2.400 250 S HA -0.187 4.283 4.470 -0.000 0.000 0.232 250 S C 0.916 175.504 174.600 -0.019 0.000 1.025 250 S CA 1.712 59.902 58.200 -0.017 0.000 0.993 250 S CB -0.361 62.830 63.200 -0.014 0.000 0.808 250 S HN 0.694 nan 8.310 nan 0.000 0.478 251 D N -0.072 120.315 120.400 -0.021 0.000 2.388 251 D HA 0.335 4.975 4.640 -0.000 0.000 0.221 251 D C 1.305 177.588 176.300 -0.029 0.000 1.133 251 D CA 0.351 54.337 54.000 -0.024 0.000 0.831 251 D CB -0.355 40.432 40.800 -0.023 0.000 0.962 251 D HN 0.541 nan 8.370 nan 0.000 0.502 252 G N 0.302 109.083 108.800 -0.031 0.000 2.253 252 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.251 252 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.251 252 G C 0.505 175.379 174.900 -0.044 0.000 0.998 252 G CA 0.322 45.399 45.100 -0.037 0.000 0.621 252 G HN 0.478 nan 8.290 nan 0.000 0.524 253 K N -0.174 120.201 120.400 -0.042 0.000 2.143 253 K HA 0.628 4.948 4.320 -0.000 0.000 0.239 253 K C 0.323 176.894 176.600 -0.048 0.000 1.048 253 K CA 0.150 56.408 56.287 -0.048 0.000 0.867 253 K CB 0.446 32.921 32.500 -0.042 0.000 1.088 253 K HN 0.291 nan 8.250 nan 0.000 0.510 254 I N 0.922 121.460 120.570 -0.053 0.000 2.533 254 I HA 0.146 4.316 4.170 -0.000 0.000 0.290 254 I C -1.174 174.913 176.117 -0.050 0.000 1.056 254 I CA -0.859 60.409 61.300 -0.054 0.000 1.057 254 I CB 2.132 40.093 38.000 -0.066 0.000 1.240 254 I HN 0.404 nan 8.210 nan 0.000 0.423 255 D N 5.258 125.632 120.400 -0.043 0.000 2.233 255 D HA 0.445 5.085 4.640 -0.000 0.000 0.240 255 D C -0.682 175.591 176.300 -0.044 0.000 1.074 255 D CA -0.027 53.951 54.000 -0.037 0.000 0.838 255 D CB 2.305 43.089 40.800 -0.026 0.000 1.124 255 D HN 0.019 nan 8.370 nan 0.000 0.475 256 V N 2.305 122.192 119.914 -0.046 0.000 2.409 256 V HA 0.399 4.519 4.120 -0.000 0.000 0.291 256 V C 0.070 176.144 176.094 -0.032 0.000 1.020 256 V CA -0.831 61.436 62.300 -0.056 0.000 0.848 256 V CB 1.561 33.341 31.823 -0.071 0.000 0.990 256 V HN 0.635 nan 8.190 nan 0.000 0.430 257 S N 6.454 122.140 115.700 -0.023 0.000 2.462 257 S HA 0.862 5.332 4.470 -0.000 0.000 0.294 257 S C -0.521 174.089 174.600 0.017 0.000 1.144 257 S CA -0.596 57.604 58.200 0.000 0.000 1.088 257 S CB 1.284 64.490 63.200 0.009 0.000 1.009 257 S HN 0.768 nan 8.310 nan 0.000 0.484 258 I N -0.673 119.912 120.570 0.025 0.000 3.042 258 I HA 0.868 5.038 4.170 -0.000 0.000 0.310 258 I C -1.036 175.108 176.117 0.047 0.000 1.117 258 I CA -1.169 60.158 61.300 0.045 0.000 1.003 258 I CB 2.387 40.410 38.000 0.039 0.000 1.228 258 I HN 0.903 nan 8.210 nan 0.000 0.443 259 E N 2.573 122.810 120.200 0.060 0.000 2.407 259 E HA 0.644 4.994 4.350 -0.000 0.000 0.279 259 E C -1.279 175.349 176.600 0.048 0.000 1.012 259 E CA -1.212 55.217 56.400 0.049 0.000 0.800 259 E CB 1.701 31.433 29.700 0.053 0.000 1.276 259 E HN 0.934 nan 8.360 nan 0.000 0.452 260 A N 0.981 123.816 122.820 0.024 0.000 2.555 260 A HA 0.350 4.670 4.320 -0.000 0.000 0.233 260 A C 1.295 178.878 177.584 -0.001 0.000 1.060 260 A CA 0.631 52.666 52.037 -0.003 0.000 0.759 260 A CB 0.129 19.121 19.000 -0.013 0.000 0.995 260 A HN 0.916 nan 8.150 nan 0.000 0.506 261 A N 1.643 124.412 122.820 -0.085 0.000 1.972 261 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 261 A C 2.367 179.933 177.584 -0.030 0.000 1.169 261 A CA 2.234 54.188 52.037 -0.138 0.000 0.635 261 A CB -0.995 17.569 19.000 -0.726 0.000 0.810 261 A HN 1.794 nan 8.150 nan 0.000 0.446 262 S N -2.130 113.539 115.700 -0.051 0.000 2.447 262 S HA 0.286 4.756 4.470 -0.000 0.000 0.233 262 S C 1.559 176.174 174.600 0.024 0.000 1.006 262 S CA 1.468 59.662 58.200 -0.011 0.000 0.957 262 S CB -0.205 62.981 63.200 -0.023 0.000 0.773 262 S HN 1.828 nan 8.310 nan 0.000 0.507 263 G N 0.206 109.025 108.800 0.032 0.000 2.391 263 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.204 263 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.204 263 G C 0.573 175.491 174.900 0.030 0.000 1.012 263 G CA -0.034 45.091 45.100 0.042 0.000 0.651 263 G HN 0.993 nan 8.290 nan 0.000 0.494 264 G N 0.445 109.256 108.800 0.018 0.000 2.527 264 G HA2 0.507 4.467 3.960 -0.000 0.000 0.279 264 G HA3 0.507 4.467 3.960 -0.000 0.000 0.279 264 G C 0.636 175.546 174.900 0.016 0.000 1.374 264 G CA 1.085 46.194 45.100 0.014 0.000 1.053 264 G HN 1.157 nan 8.290 nan 0.000 0.539 265 K N -2.481 117.926 120.400 0.013 0.000 2.061 265 K HA 0.028 4.348 4.320 -0.000 0.000 0.519 265 K C -0.243 176.368 176.600 0.019 0.000 1.621 265 K CA 1.208 57.503 56.287 0.013 0.000 1.039 265 K CB -1.778 30.729 32.500 0.011 0.000 1.584 265 K HN 2.303 nan 8.250 nan 0.000 0.770 266 A N 0.726 123.557 122.820 0.018 0.000 2.449 266 A HA 0.456 4.776 4.320 -0.000 0.000 0.304 266 A C -0.827 176.767 177.584 0.016 0.000 1.004 266 A CA 0.010 52.059 52.037 0.021 0.000 0.871 266 A CB 0.683 19.696 19.000 0.021 0.000 1.092 266 A HN 0.810 nan 8.150 nan 0.000 0.364 267 E N 0.421 120.630 120.200 0.016 0.000 2.449 267 E HA 0.769 5.119 4.350 -0.000 0.000 0.278 267 E C -1.495 175.109 176.600 0.007 0.000 1.059 267 E CA -1.102 55.304 56.400 0.010 0.000 0.854 267 E CB 1.832 31.538 29.700 0.009 0.000 1.465 267 E HN 0.750 nan 8.360 nan 0.000 0.462 268 V N 1.942 121.857 119.914 0.001 0.000 2.531 268 V HA 0.402 4.522 4.120 -0.000 0.000 0.301 268 V C -0.311 175.777 176.094 -0.010 0.000 1.034 268 V CA -0.807 61.489 62.300 -0.005 0.000 0.865 268 V CB 1.504 33.323 31.823 -0.007 0.000 0.995 268 V HN 0.597 nan 8.190 nan 0.000 0.424 269 I N 1.416 121.976 120.570 -0.016 0.000 2.404 269 I HA 0.676 4.846 4.170 -0.000 0.000 0.293 269 I C -0.234 175.865 176.117 -0.030 0.000 0.992 269 I CA -0.184 61.104 61.300 -0.020 0.000 1.149 269 I CB 1.727 39.715 38.000 -0.020 0.000 1.315 269 I HN 0.452 nan 8.210 nan 0.000 0.446 270 T N 6.135 120.671 114.554 -0.030 0.000 2.829 270 T HA 0.609 4.959 4.350 -0.000 0.000 0.282 270 T C 0.014 174.687 174.700 -0.045 0.000 0.990 270 T CA -0.345 61.733 62.100 -0.037 0.000 1.028 270 T CB 1.169 70.019 68.868 -0.030 0.000 0.951 270 T HN 0.949 nan 8.240 nan 0.000 0.460 271 C N 1.050 120.317 119.300 -0.056 0.000 3.291 271 C HA 0.620 5.080 4.460 -0.000 0.000 0.316 271 C C 0.697 175.642 174.990 -0.075 0.000 1.391 271 C CA -0.800 58.177 59.018 -0.068 0.000 1.394 271 C CB 1.226 28.919 27.740 -0.079 0.000 1.744 271 C HN 0.818 nan 8.230 nan 0.000 0.461 272 D N 0.009 120.355 120.400 -0.090 0.000 2.277 272 D HA 0.153 4.793 4.640 -0.000 0.000 0.209 272 D C 0.170 176.398 176.300 -0.119 0.000 0.970 272 D CA 1.298 55.240 54.000 -0.097 0.000 0.874 272 D CB 0.876 41.615 40.800 -0.102 0.000 0.982 272 D HN 0.429 nan 8.370 nan 0.000 0.504 273 V N 1.530 121.360 119.914 -0.140 0.000 2.789 273 V HA 0.311 4.431 4.120 -0.000 0.000 0.311 273 V C -1.069 174.941 176.094 -0.139 0.000 1.073 273 V CA -0.906 61.297 62.300 -0.161 0.000 0.921 273 V CB 2.972 34.651 31.823 -0.241 0.000 1.009 273 V HN -0.066 nan 8.190 nan 0.000 0.426 274 L N 5.583 126.733 121.223 -0.122 0.000 2.343 274 L HA 0.695 5.035 4.340 -0.000 0.000 0.278 274 L C -1.030 175.784 176.870 -0.094 0.000 0.996 274 L CA -0.391 54.385 54.840 -0.106 0.000 0.831 274 L CB 1.392 43.388 42.059 -0.106 0.000 1.232 274 L HN 0.637 nan 8.230 nan 0.000 0.413 275 L N 6.802 127.980 121.223 -0.075 0.000 2.272 275 L HA 0.585 4.925 4.340 -0.000 0.000 0.289 275 L C -1.026 175.837 176.870 -0.013 0.000 1.032 275 L CA -0.134 54.682 54.840 -0.040 0.000 0.810 275 L CB 1.514 43.562 42.059 -0.018 0.000 1.205 275 L HN 0.386 nan 8.230 nan 0.000 0.422 276 V N 5.401 125.315 119.914 0.001 0.000 2.294 276 V HA 0.276 4.396 4.120 -0.000 0.000 0.272 276 V C -0.081 176.059 176.094 0.076 0.000 1.027 276 V CA -0.388 61.930 62.300 0.031 0.000 0.823 276 V CB 0.489 32.330 31.823 0.029 0.000 1.030 276 V HN 0.984 nan 8.190 nan 0.000 0.457 277 C N 3.805 123.164 119.300 0.099 0.000 3.445 277 C HA 0.505 4.965 4.460 -0.000 0.000 0.213 277 C C 1.218 176.286 174.990 0.129 0.000 1.319 277 C CA -0.797 58.287 59.018 0.110 0.000 1.402 277 C CB -1.279 26.526 27.740 0.110 0.000 1.819 277 C HN 0.847 nan 8.230 nan 0.000 0.491 278 I N -0.295 120.361 120.570 0.144 0.000 3.419 278 I HA 0.593 4.763 4.170 -0.000 0.000 0.286 278 I C 0.888 177.067 176.117 0.103 0.000 1.268 278 I CA 0.803 62.188 61.300 0.142 0.000 1.414 278 I CB -0.033 38.072 38.000 0.174 0.000 1.074 278 I HN 0.722 nan 8.210 nan 0.000 0.457 279 G N 0.924 109.781 108.800 0.095 0.000 2.324 279 G HA2 0.437 4.397 3.960 -0.000 0.000 0.293 279 G HA3 0.437 4.397 3.960 -0.000 0.000 0.293 279 G C -1.542 173.400 174.900 0.071 0.000 1.297 279 G CA -1.089 44.057 45.100 0.078 0.000 0.853 279 G HN 0.156 nan 8.290 nan 0.000 0.535 280 R N -0.622 119.917 120.500 0.064 0.000 2.771 280 R HA 0.758 5.098 4.340 -0.000 0.000 0.274 280 R C -0.283 176.053 176.300 0.059 0.000 0.987 280 R CA -1.013 55.123 56.100 0.061 0.000 0.908 280 R CB 2.681 33.016 30.300 0.057 0.000 1.213 280 R HN 0.858 nan 8.270 nan 0.000 0.468 281 R N 0.379 120.921 120.500 0.070 0.000 2.808 281 R HA 0.565 4.905 4.340 -0.000 0.000 0.272 281 R C -2.887 173.472 176.300 0.099 0.000 0.995 281 R CA -2.230 53.913 56.100 0.071 0.000 0.917 281 R CB 1.585 31.923 30.300 0.064 0.000 1.217 281 R HN 0.280 nan 8.270 nan 0.000 0.471 282 P HA -0.030 nan 4.420 nan 0.000 0.267 282 P C -1.206 176.194 177.300 0.167 0.000 1.200 282 P CA 0.096 63.261 63.100 0.108 0.000 0.772 282 P CB 0.383 32.121 31.700 0.065 0.000 0.855 283 F N 2.868 122.833 119.950 0.025 0.000 2.427 283 F HA 0.403 4.930 4.527 0.000 0.000 0.348 283 F C 0.434 176.256 175.800 0.037 0.000 1.125 283 F CA -0.110 57.909 58.000 0.032 0.000 0.989 283 F CB 1.364 40.380 39.000 0.027 0.000 1.165 283 F HN 0.330 nan 8.300 nan 0.000 0.442 284 T N 1.171 115.458 114.554 -0.445 0.000 3.403 284 T HA 0.184 4.534 4.350 -0.000 0.000 0.308 284 T C 0.174 174.637 174.700 -0.395 0.000 0.952 284 T CA -0.586 61.334 62.100 -0.300 0.000 0.970 284 T CB -0.351 68.446 68.868 -0.119 0.000 1.189 284 T HN 0.527 nan 8.240 nan 0.000 0.528 285 K N 2.455 122.382 120.400 -0.788 0.000 2.511 285 K HA -0.002 4.318 4.320 -0.000 0.000 0.280 285 K C 0.066 176.581 176.600 -0.142 0.000 1.008 285 K CA 0.264 56.276 56.287 -0.460 0.000 1.050 285 K CB 0.007 32.177 32.500 -0.550 0.000 0.889 285 K HN 0.208 nan 8.250 nan 0.000 0.484 286 N N 2.421 121.066 118.700 -0.093 0.000 2.707 286 N HA -0.241 4.499 4.740 -0.000 0.000 0.253 286 N C 0.056 175.591 175.510 0.042 0.000 0.998 286 N CA 0.763 53.781 53.050 -0.054 0.000 0.751 286 N CB -0.654 37.740 38.487 -0.154 0.000 0.920 286 N HN 0.509 nan 8.380 nan 0.000 0.539 287 L N -0.953 120.290 121.223 0.033 0.000 2.585 287 L HA 0.303 4.643 4.340 -0.000 0.000 0.226 287 L C 1.461 178.355 176.870 0.040 0.000 1.113 287 L CA 1.490 56.373 54.840 0.072 0.000 0.876 287 L CB -0.018 42.062 42.059 0.035 0.000 1.072 287 L HN 0.452 nan 8.230 nan 0.000 0.468 288 G N -0.504 108.303 108.800 0.012 0.000 2.137 288 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.237 288 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.237 288 G C 0.843 175.742 174.900 -0.001 0.000 1.002 288 G CA 0.504 45.607 45.100 0.005 0.000 0.702 288 G HN 0.361 nan 8.290 nan 0.000 0.515 289 L N -0.654 120.565 121.223 -0.008 0.000 2.240 289 L HA 0.088 4.428 4.340 -0.000 0.000 0.211 289 L C 2.579 179.441 176.870 -0.014 0.000 1.106 289 L CA 1.593 56.427 54.840 -0.010 0.000 0.793 289 L CB -0.220 41.830 42.059 -0.015 0.000 0.927 289 L HN 0.420 nan 8.230 nan 0.000 0.446 290 E N 1.383 121.572 120.200 -0.018 0.000 2.007 290 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 290 E C 1.874 178.465 176.600 -0.014 0.000 0.999 290 E CA 1.772 58.161 56.400 -0.018 0.000 0.811 290 E CB 0.011 29.698 29.700 -0.021 0.000 0.762 290 E HN 0.335 nan 8.360 nan 0.000 0.450 291 E N 0.096 120.289 120.200 -0.012 0.000 2.209 291 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 291 E C 2.046 178.641 176.600 -0.008 0.000 0.993 291 E CA 1.125 57.519 56.400 -0.009 0.000 0.819 291 E CB -0.170 29.526 29.700 -0.007 0.000 0.745 291 E HN 0.330 nan 8.360 nan 0.000 0.477 292 L N -1.189 120.029 121.223 -0.008 0.000 2.341 292 L HA 0.099 4.439 4.340 -0.000 0.000 0.214 292 L C 1.176 178.039 176.870 -0.011 0.000 1.115 292 L CA 0.544 55.380 54.840 -0.008 0.000 0.820 292 L CB -0.076 41.979 42.059 -0.006 0.000 0.944 292 L HN 0.405 nan 8.230 nan 0.000 0.452 293 G N 1.059 109.852 108.800 -0.013 0.000 2.165 293 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.226 293 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.226 293 G C -0.053 174.836 174.900 -0.017 0.000 1.035 293 G CA -0.362 44.729 45.100 -0.015 0.000 0.744 293 G HN 0.247 nan 8.290 nan 0.000 0.501 294 I N 1.141 121.701 120.570 -0.017 0.000 2.328 294 I HA 0.300 4.470 4.170 -0.000 0.000 0.287 294 I C 0.355 176.462 176.117 -0.018 0.000 1.012 294 I CA -0.529 60.760 61.300 -0.018 0.000 1.195 294 I CB 1.050 39.041 38.000 -0.015 0.000 1.350 294 I HN 0.145 nan 8.210 nan 0.000 0.464 295 E N 6.582 126.771 120.200 -0.019 0.000 2.266 295 E HA 0.459 4.809 4.350 -0.000 0.000 0.277 295 E C -0.750 175.839 176.600 -0.018 0.000 1.018 295 E CA -0.725 55.664 56.400 -0.018 0.000 0.840 295 E CB 1.933 31.622 29.700 -0.018 0.000 1.082 295 E HN 0.453 nan 8.360 nan 0.000 0.395 296 L N 2.642 123.854 121.223 -0.018 0.000 2.418 296 L HA 0.130 4.470 4.340 -0.000 0.000 0.265 296 L C 0.600 177.461 176.870 -0.015 0.000 1.143 296 L CA -0.683 54.147 54.840 -0.016 0.000 0.809 296 L CB 0.256 42.304 42.059 -0.018 0.000 1.124 296 L HN 0.627 nan 8.230 nan 0.000 0.456 297 D N 1.460 121.852 120.400 -0.014 0.000 2.398 297 D HA 0.134 4.774 4.640 -0.000 0.000 0.247 297 D C -1.993 174.299 176.300 -0.013 0.000 1.227 297 D CA -1.940 52.051 54.000 -0.015 0.000 0.980 297 D CB 0.041 40.831 40.800 -0.016 0.000 1.106 297 D HN 0.161 nan 8.370 nan 0.000 0.493 298 P HA -0.118 nan 4.420 nan 0.000 0.218 298 P C 0.943 178.236 177.300 -0.012 0.000 1.146 298 P CA 1.166 64.258 63.100 -0.013 0.000 0.813 298 P CB 0.145 31.837 31.700 -0.013 0.000 0.778 299 R N -2.143 118.351 120.500 -0.009 0.000 2.317 299 R HA 0.266 4.606 4.340 -0.000 0.000 0.208 299 R C 1.478 177.778 176.300 -0.000 0.000 0.914 299 R CA 0.902 56.998 56.100 -0.005 0.000 1.060 299 R CB -0.552 29.746 30.300 -0.003 0.000 1.015 299 R HN 0.231 nan 8.270 nan 0.000 0.498 300 G N 1.669 110.467 108.800 -0.004 0.000 2.175 300 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 300 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 300 G C 0.092 174.994 174.900 0.003 0.000 0.982 300 G CA -0.026 45.073 45.100 -0.002 0.000 0.641 300 G HN 0.259 nan 8.290 nan 0.000 0.527 301 R N -0.222 120.280 120.500 0.005 0.000 2.560 301 R HA 0.702 5.042 4.340 -0.000 0.000 0.270 301 R C 0.748 177.052 176.300 0.006 0.000 1.074 301 R CA -0.421 55.686 56.100 0.011 0.000 1.140 301 R CB 0.671 30.976 30.300 0.009 0.000 1.073 301 R HN 0.284 nan 8.270 nan 0.000 0.527 302 I N 4.234 124.814 120.570 0.017 0.000 2.325 302 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 302 I C -1.826 174.298 176.117 0.011 0.000 1.019 302 I CA -2.046 59.263 61.300 0.014 0.000 1.302 302 I CB 1.267 39.284 38.000 0.028 0.000 1.401 302 I HN 0.307 nan 8.210 nan 0.000 0.485 303 P HA 0.223 nan 4.420 nan 0.000 0.279 303 P C -0.825 176.459 177.300 -0.027 0.000 1.239 303 P CA -0.108 62.979 63.100 -0.021 0.000 0.789 303 P CB 1.524 33.206 31.700 -0.029 0.000 0.933 304 V N -0.229 119.657 119.914 -0.046 0.000 3.159 304 V HA 0.599 4.719 4.120 -0.000 0.000 0.308 304 V C -0.265 175.750 176.094 -0.131 0.000 1.190 304 V CA -1.175 61.083 62.300 -0.070 0.000 1.037 304 V CB 1.701 33.514 31.823 -0.017 0.000 1.060 304 V HN 0.610 nan 8.190 nan 0.000 0.437 305 N N 0.225 118.837 118.700 -0.146 0.000 2.443 305 N HA 0.285 5.025 4.740 -0.000 0.000 0.294 305 N C 1.115 176.467 175.510 -0.264 0.000 1.289 305 N CA 0.277 53.235 53.050 -0.153 0.000 0.966 305 N CB -0.392 38.033 38.487 -0.103 0.000 1.122 305 N HN 0.963 nan 8.380 nan 0.000 0.569 306 T N -3.649 110.787 114.554 -0.197 0.000 3.051 306 T HA 0.017 4.367 4.350 -0.000 0.000 0.269 306 T C 1.105 175.680 174.700 -0.207 0.000 1.127 306 T CA 0.721 62.678 62.100 -0.240 0.000 1.107 306 T CB -0.275 68.551 68.868 -0.070 0.000 0.898 306 T HN 0.448 nan 8.240 nan 0.000 0.517 307 R N -0.259 120.198 120.500 -0.071 0.000 2.388 307 R HA 0.367 4.707 4.340 -0.000 0.000 0.247 307 R C -0.253 176.264 176.300 0.362 0.000 0.931 307 R CA -0.286 55.913 56.100 0.164 0.000 1.082 307 R CB -0.299 30.104 30.300 0.172 0.000 1.135 307 R HN 0.364 nan 8.270 nan 0.000 0.525 308 F N -0.046 119.985 119.950 0.136 0.000 2.988 308 F HA -0.301 4.226 4.527 0.000 0.000 0.287 308 F C 0.006 175.855 175.800 0.082 0.000 0.781 308 F CA 0.633 58.724 58.000 0.152 0.000 1.221 308 F CB -1.871 37.253 39.000 0.207 0.000 1.392 308 F HN 0.174 nan 8.300 nan 0.000 0.425 309 Q N 0.317 120.073 119.800 -0.074 0.000 2.293 309 Q HA 0.459 4.799 4.340 -0.000 0.000 0.251 309 Q C 0.987 176.863 176.000 -0.207 0.000 0.930 309 Q CA 0.169 55.717 55.803 -0.425 0.000 0.893 309 Q CB 1.395 29.848 28.738 -0.475 0.000 1.215 309 Q HN 0.365 nan 8.270 nan 0.000 0.425 310 T N -1.837 112.602 114.554 -0.192 0.000 2.793 310 T HA 0.093 4.443 4.350 -0.000 0.000 0.299 310 T C 1.130 175.764 174.700 -0.110 0.000 1.038 310 T CA -0.562 61.479 62.100 -0.099 0.000 0.948 310 T CB 0.553 69.385 68.868 -0.060 0.000 1.231 310 T HN 0.703 nan 8.240 nan 0.000 0.538 311 K N -0.389 119.967 120.400 -0.073 0.000 2.113 311 K HA -0.056 4.264 4.320 -0.000 0.000 0.208 311 K C 0.532 177.089 176.600 -0.071 0.000 1.047 311 K CA 1.092 57.341 56.287 -0.063 0.000 0.928 311 K CB -0.473 32.000 32.500 -0.044 0.000 0.716 311 K HN 0.661 nan 8.250 nan 0.000 0.446 312 I N 3.594 124.119 120.570 -0.075 0.000 2.294 312 I HA 0.068 4.238 4.170 -0.000 0.000 0.295 312 I C -1.529 174.514 176.117 -0.123 0.000 1.098 312 I CA -1.859 59.397 61.300 -0.073 0.000 1.277 312 I CB 1.295 39.266 38.000 -0.048 0.000 1.434 312 I HN 0.094 nan 8.210 nan 0.000 0.498 313 P HA -0.238 nan 4.420 nan 0.000 0.220 313 P C 0.530 177.701 177.300 -0.215 0.000 1.144 313 P CA 1.606 64.604 63.100 -0.171 0.000 0.808 313 P CB -0.004 31.644 31.700 -0.086 0.000 0.763 314 N N -0.974 117.656 118.700 -0.116 0.000 2.184 314 N HA 0.078 4.818 4.740 -0.000 0.000 0.206 314 N C 0.180 175.738 175.510 0.080 0.000 1.151 314 N CA -0.219 52.843 53.050 0.021 0.000 0.878 314 N CB 0.179 38.697 38.487 0.052 0.000 1.014 314 N HN 0.194 nan 8.380 nan 0.000 0.512 315 I N 1.687 122.215 120.570 -0.069 0.000 2.382 315 I HA 0.327 4.497 4.170 -0.000 0.000 0.286 315 I C -0.952 175.142 176.117 -0.039 0.000 1.002 315 I CA -0.837 60.486 61.300 0.038 0.000 1.135 315 I CB 0.751 38.755 38.000 0.006 0.000 1.288 315 I HN -0.165 nan 8.210 nan 0.000 0.448 316 Y N 4.355 124.664 120.300 0.015 0.000 2.567 316 Y HA 0.829 5.379 4.550 0.000 0.000 0.333 316 Y C 0.285 176.218 175.900 0.055 0.000 1.106 316 Y CA -1.099 57.032 58.100 0.051 0.000 1.157 316 Y CB 1.814 40.305 38.460 0.052 0.000 1.277 316 Y HN 0.549 nan 8.280 nan 0.000 0.490 317 A N 1.622 124.608 122.820 0.276 0.000 2.520 317 A HA 0.889 5.209 4.320 -0.000 0.000 0.298 317 A C -1.295 176.422 177.584 0.222 0.000 1.051 317 A CA -0.563 51.586 52.037 0.186 0.000 0.690 317 A CB 1.143 20.224 19.000 0.134 0.000 1.281 317 A HN 0.787 nan 8.150 nan 0.000 0.402 318 I N -1.733 118.900 120.570 0.105 0.000 3.263 318 I HA 0.946 5.116 4.170 -0.000 0.000 0.314 318 I C 0.500 176.631 176.117 0.023 0.000 1.269 318 I CA -0.178 61.138 61.300 0.027 0.000 0.942 318 I CB 1.671 39.553 38.000 -0.197 0.000 1.305 318 I HN 2.186 nan 8.210 nan 0.000 0.474 319 G N 1.817 110.620 108.800 0.003 0.000 2.553 319 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.242 319 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.242 319 G C 0.036 174.959 174.900 0.038 0.000 1.277 319 G CA 0.643 45.749 45.100 0.009 0.000 0.910 319 G HN 0.895 nan 8.290 nan 0.000 0.576 320 D N 0.208 120.627 120.400 0.032 0.000 2.311 320 D HA -0.041 4.599 4.640 -0.000 0.000 0.212 320 D C 2.603 178.937 176.300 0.056 0.000 0.972 320 D CA 1.812 55.836 54.000 0.040 0.000 0.887 320 D CB -0.207 40.617 40.800 0.040 0.000 0.915 320 D HN 1.001 nan 8.370 nan 0.000 0.497 321 V N -1.964 117.989 119.914 0.066 0.000 3.306 321 V HA 0.053 4.173 4.120 -0.000 0.000 0.264 321 V C 1.039 177.171 176.094 0.063 0.000 1.149 321 V CA 0.285 62.627 62.300 0.070 0.000 1.143 321 V CB -0.900 30.968 31.823 0.075 0.000 0.767 321 V HN 0.002 nan 8.190 nan 0.000 0.476 322 V N -2.578 117.380 119.914 0.073 0.000 3.234 322 V HA 0.976 5.096 4.120 -0.000 0.000 0.317 322 V C 0.646 176.761 176.094 0.035 0.000 1.147 322 V CA -0.836 61.507 62.300 0.072 0.000 1.037 322 V CB 0.905 32.815 31.823 0.144 0.000 1.148 322 V HN 0.485 nan 8.190 nan 0.000 0.455 323 A N 0.030 122.848 122.820 -0.003 0.000 2.409 323 A HA 0.707 5.027 4.320 -0.000 0.000 0.246 323 A C 0.954 178.469 177.584 -0.114 0.000 1.099 323 A CA 0.662 52.664 52.037 -0.059 0.000 0.789 323 A CB -0.729 18.215 19.000 -0.093 0.000 1.053 323 A HN 2.999 nan 8.150 nan 0.000 0.503 324 G N -1.078 107.625 108.800 -0.161 0.000 2.592 324 G HA2 0.128 4.088 3.960 -0.000 0.000 0.684 324 G HA3 0.128 4.088 3.960 -0.000 0.000 0.684 324 G C -3.105 171.751 174.900 -0.074 0.000 1.291 324 G CA -0.510 44.452 45.100 -0.230 0.000 0.891 324 G HN 0.812 nan 8.290 nan 0.000 0.544 325 P HA 0.318 nan 4.420 nan 0.000 0.263 325 P C 0.392 177.687 177.300 -0.009 0.000 1.195 325 P CA 0.310 63.416 63.100 0.010 0.000 0.762 325 P CB 0.303 32.022 31.700 0.032 0.000 0.799 326 M N 4.224 123.823 119.600 -0.002 0.000 3.213 326 M HA 0.190 4.670 4.480 -0.000 0.000 0.275 326 M C -0.453 175.824 176.300 -0.038 0.000 1.424 326 M CA 0.445 55.741 55.300 -0.006 0.000 1.561 326 M CB -0.593 32.018 32.600 0.019 0.000 1.109 326 M HN 0.188 nan 8.290 nan 0.000 0.552 327 L N -0.280 120.878 121.223 -0.110 0.000 2.370 327 L HA 0.617 4.957 4.340 -0.000 0.000 0.266 327 L C 1.087 177.814 176.870 -0.238 0.000 1.002 327 L CA -0.619 54.088 54.840 -0.221 0.000 0.818 327 L CB 1.838 43.608 42.059 -0.481 0.000 1.325 327 L HN 0.521 nan 8.230 nan 0.000 0.418 328 A N 0.979 123.709 122.820 -0.150 0.000 1.865 328 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 328 A C 1.994 179.541 177.584 -0.062 0.000 1.191 328 A CA 1.941 53.947 52.037 -0.050 0.000 0.623 328 A CB -0.898 18.132 19.000 0.050 0.000 0.826 328 A HN 0.951 nan 8.150 nan 0.000 0.444 329 H N -1.090 117.974 119.070 -0.009 0.000 2.457 329 H HA -0.037 4.519 4.556 0.000 0.000 0.294 329 H C 1.721 177.032 175.328 -0.029 0.000 1.064 329 H CA 1.381 57.413 56.048 -0.027 0.000 1.330 329 H CB -0.344 29.401 29.762 -0.028 0.000 1.395 329 H HN 0.431 nan 8.280 nan 0.000 0.541 330 K N 1.883 122.127 120.400 -0.260 0.000 2.031 330 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 330 K C 2.341 178.909 176.600 -0.053 0.000 1.049 330 K CA 1.215 57.444 56.287 -0.096 0.000 0.939 330 K CB -0.363 32.086 32.500 -0.084 0.000 0.717 330 K HN 0.293 nan 8.250 nan 0.000 0.438 331 A N 1.607 124.381 122.820 -0.077 0.000 1.908 331 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 331 A C 2.029 179.544 177.584 -0.115 0.000 1.181 331 A CA 1.819 53.811 52.037 -0.076 0.000 0.627 331 A CB -0.498 18.468 19.000 -0.057 0.000 0.818 331 A HN 0.531 nan 8.150 nan 0.000 0.445 332 E N -0.451 119.687 120.200 -0.103 0.000 2.077 332 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 332 E C 1.545 178.065 176.600 -0.134 0.000 0.989 332 E CA 1.323 57.642 56.400 -0.136 0.000 0.800 332 E CB -0.230 29.403 29.700 -0.111 0.000 0.746 332 E HN 0.592 nan 8.360 nan 0.000 0.452 333 D N 0.433 120.773 120.400 -0.100 0.000 2.178 333 D HA -0.112 4.528 4.640 -0.000 0.000 0.202 333 D C 1.633 177.829 176.300 -0.173 0.000 0.974 333 D CA 0.870 54.806 54.000 -0.108 0.000 0.841 333 D CB 0.047 40.800 40.800 -0.078 0.000 0.953 333 D HN 0.199 nan 8.370 nan 0.000 0.478 334 E N -0.140 119.917 120.200 -0.237 0.000 2.072 334 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 334 E C 2.227 178.504 176.600 -0.539 0.000 0.982 334 E CA 0.868 56.952 56.400 -0.528 0.000 0.803 334 E CB -0.160 29.185 29.700 -0.591 0.000 0.755 334 E HN 0.285 nan 8.360 nan 0.000 0.453 335 G N 1.904 110.503 108.800 -0.335 0.000 2.421 335 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 335 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 335 G C 1.590 176.361 174.900 -0.215 0.000 1.171 335 G CA 0.492 45.434 45.100 -0.263 0.000 0.775 335 G HN 0.068 nan 8.290 nan 0.000 0.543 336 I N 1.628 122.092 120.570 -0.178 0.000 2.127 336 I HA -0.176 3.994 4.170 -0.000 0.000 0.241 336 I C 2.864 178.923 176.117 -0.097 0.000 1.075 336 I CA 1.630 62.858 61.300 -0.119 0.000 1.334 336 I CB -0.894 37.050 38.000 -0.094 0.000 1.040 336 I HN 0.372 nan 8.210 nan 0.000 0.405 337 I N -1.076 119.430 120.570 -0.108 0.000 2.676 337 I HA -0.163 4.007 4.170 -0.000 0.000 0.259 337 I C 2.837 178.946 176.117 -0.013 0.000 1.194 337 I CA 0.961 62.239 61.300 -0.036 0.000 1.473 337 I CB -0.920 37.087 38.000 0.012 0.000 1.096 337 I HN 0.232 nan 8.210 nan 0.000 0.443 338 C N 0.717 119.943 119.300 -0.124 0.000 2.442 338 C HA -0.106 4.354 4.460 -0.000 0.000 0.279 338 C C 2.744 177.656 174.990 -0.130 0.000 1.237 338 C CA 1.375 60.347 59.018 -0.077 0.000 1.722 338 C CB -0.977 26.622 27.740 -0.235 0.000 2.056 338 C HN 0.487 nan 8.230 nan 0.000 0.469 339 V N 1.153 120.969 119.914 -0.163 0.000 2.332 339 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 339 V C 2.505 178.614 176.094 0.024 0.000 1.055 339 V CA 2.555 64.777 62.300 -0.130 0.000 1.038 339 V CB -0.846 30.929 31.823 -0.081 0.000 0.651 339 V HN 0.632 nan 8.190 nan 0.000 0.450 340 E N 0.038 120.256 120.200 0.030 0.000 2.153 340 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 340 E C 2.301 178.950 176.600 0.082 0.000 0.988 340 E CA 1.091 57.530 56.400 0.066 0.000 0.811 340 E CB -0.427 29.294 29.700 0.036 0.000 0.746 340 E HN 0.670 nan 8.360 nan 0.000 0.466 341 G N 1.145 109.988 108.800 0.071 0.000 2.402 341 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 341 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 341 G C 1.560 176.522 174.900 0.104 0.000 1.162 341 G CA 0.484 45.646 45.100 0.105 0.000 0.777 341 G HN 0.088 nan 8.290 nan 0.000 0.539 342 M N 0.849 120.467 119.600 0.029 0.000 2.144 342 M HA -0.069 4.411 4.480 -0.000 0.000 0.260 342 M C 2.532 178.976 176.300 0.240 0.000 1.067 342 M CA 1.379 56.683 55.300 0.007 0.000 1.095 342 M CB -0.100 32.304 32.600 -0.326 0.000 1.365 342 M HN 0.296 nan 8.290 nan 0.000 0.406 343 A N -0.328 122.681 122.820 0.314 0.000 2.327 343 A HA 0.436 4.756 4.320 -0.000 0.000 0.228 343 A C 1.413 179.068 177.584 0.119 0.000 1.275 343 A CA 0.554 52.745 52.037 0.256 0.000 0.875 343 A CB -0.916 18.158 19.000 0.124 0.000 0.925 343 A HN 0.681 nan 8.150 nan 0.000 0.493 344 G N -1.709 107.161 108.800 0.118 0.000 2.143 344 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.249 344 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.249 344 G C 0.664 175.603 174.900 0.066 0.000 0.981 344 G CA 0.270 45.419 45.100 0.082 0.000 0.665 344 G HN 1.362 nan 8.290 nan 0.000 0.528 345 G N -0.418 108.424 108.800 0.071 0.000 2.528 345 G HA2 0.784 4.744 3.960 -0.000 0.000 0.289 345 G HA3 0.784 4.744 3.960 -0.000 0.000 0.289 345 G C 0.598 175.539 174.900 0.067 0.000 1.192 345 G CA 0.344 45.478 45.100 0.057 0.000 0.921 345 G HN 1.515 nan 8.290 nan 0.000 0.512 346 A N -1.038 121.817 122.820 0.058 0.000 2.425 346 A HA 0.432 4.752 4.320 -0.000 0.000 0.242 346 A C 1.038 178.679 177.584 0.096 0.000 1.077 346 A CA 0.417 52.496 52.037 0.070 0.000 0.781 346 A CB 0.711 19.744 19.000 0.056 0.000 1.020 346 A HN 1.762 nan 8.150 nan 0.000 0.494 347 V N -0.582 119.406 119.914 0.124 0.000 3.078 347 V HA 0.274 4.394 4.120 -0.000 0.000 0.344 347 V C 0.336 176.534 176.094 0.173 0.000 1.409 347 V CA 0.021 62.417 62.300 0.160 0.000 1.146 347 V CB -1.430 30.506 31.823 0.188 0.000 1.126 347 V HN 0.893 nan 8.190 nan 0.000 0.513 348 H N 1.512 120.613 119.070 0.051 0.000 2.732 348 H HA 0.678 5.234 4.556 -0.000 0.000 0.351 348 H C -0.558 174.772 175.328 0.004 0.000 1.090 348 H CA 0.150 56.215 56.048 0.028 0.000 1.431 348 H CB 0.811 30.576 29.762 0.005 0.000 1.447 348 H HN 0.468 nan 8.280 nan 0.000 0.582 349 I N 4.193 124.355 120.570 -0.680 0.000 2.586 349 I HA 0.089 4.259 4.170 -0.000 0.000 0.288 349 I C -1.036 174.625 176.117 -0.760 0.000 1.147 349 I CA -0.787 60.162 61.300 -0.585 0.000 1.047 349 I CB 1.864 39.595 38.000 -0.448 0.000 1.244 349 I HN 0.579 nan 8.210 nan 0.000 0.429 350 D N 5.629 125.717 120.400 -0.521 0.000 2.456 350 D HA 0.197 4.837 4.640 -0.000 0.000 0.219 350 D C 0.466 176.632 176.300 -0.225 0.000 1.126 350 D CA -0.120 53.722 54.000 -0.262 0.000 0.890 350 D CB 0.583 41.350 40.800 -0.054 0.000 1.025 350 D HN 0.317 nan 8.370 nan 0.000 0.511 351 Y N 2.260 122.547 120.300 -0.022 0.000 2.569 351 Y HA -0.112 4.438 4.550 -0.000 0.000 0.293 351 Y C 2.090 178.008 175.900 0.029 0.000 1.144 351 Y CA 0.528 58.634 58.100 0.009 0.000 1.321 351 Y CB -0.274 38.196 38.460 0.015 0.000 0.982 351 Y HN 0.380 nan 8.280 nan 0.000 0.558 352 N N -0.715 118.070 118.700 0.142 0.000 2.459 352 N HA -0.114 4.626 4.740 -0.000 0.000 0.181 352 N C 0.849 176.407 175.510 0.080 0.000 1.046 352 N CA 1.026 54.145 53.050 0.116 0.000 0.904 352 N CB -0.234 38.313 38.487 0.101 0.000 0.964 352 N HN 0.205 nan 8.380 nan 0.000 0.444 353 C N -0.016 119.310 119.300 0.043 0.000 2.754 353 C HA 0.380 4.840 4.460 -0.000 0.000 0.276 353 C C 0.273 175.270 174.990 0.012 0.000 1.264 353 C CA -0.722 58.309 59.018 0.021 0.000 1.700 353 C CB -1.020 26.722 27.740 0.003 0.000 1.885 353 C HN 0.051 nan 8.230 nan 0.000 0.607 354 V N 4.816 124.753 119.914 0.038 0.000 2.432 354 V HA 0.240 4.360 4.120 -0.000 0.000 0.271 354 V C -1.637 174.481 176.094 0.041 0.000 1.046 354 V CA -0.849 61.493 62.300 0.070 0.000 0.945 354 V CB 0.781 32.673 31.823 0.116 0.000 0.992 354 V HN 0.299 nan 8.190 nan 0.000 0.471 355 P HA 0.396 nan 4.420 nan 0.000 0.278 355 P C -0.727 176.472 177.300 -0.169 0.000 1.258 355 P CA -0.445 62.566 63.100 -0.148 0.000 0.811 355 P CB 1.406 32.980 31.700 -0.210 0.000 1.063 356 S N -0.310 115.049 115.700 -0.568 0.000 2.542 356 S HA 0.628 5.098 4.470 -0.000 0.000 0.293 356 S C -0.607 173.500 174.600 -0.822 0.000 1.089 356 S CA -0.568 57.200 58.200 -0.720 0.000 0.961 356 S CB 1.512 63.945 63.200 -1.277 0.000 1.062 356 S HN 0.286 nan 8.310 nan 0.000 0.483 357 V N 2.733 122.331 119.914 -0.527 0.000 2.888 357 V HA 0.563 4.683 4.120 -0.000 0.000 0.309 357 V C -1.145 174.725 176.094 -0.373 0.000 1.114 357 V CA -0.636 61.353 62.300 -0.517 0.000 0.940 357 V CB 1.933 33.372 31.823 -0.641 0.000 1.021 357 V HN 0.836 nan 8.190 nan 0.000 0.426 358 I N 3.263 123.622 120.570 -0.351 0.000 2.410 358 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 358 I C -0.739 175.261 176.117 -0.196 0.000 1.009 358 I CA -0.475 60.764 61.300 -0.102 0.000 1.111 358 I CB 1.783 39.786 38.000 0.006 0.000 1.262 358 I HN 0.638 nan 8.210 nan 0.000 0.443 359 Y N 3.814 124.132 120.300 0.031 0.000 2.627 359 Y HA 0.044 4.594 4.550 -0.000 0.000 0.339 359 Y C 1.684 177.610 175.900 0.043 0.000 1.137 359 Y CA -0.501 57.607 58.100 0.014 0.000 1.361 359 Y CB -0.652 37.811 38.460 0.005 0.000 1.180 359 Y HN 0.536 nan 8.280 nan 0.000 0.512 360 T N -2.970 111.696 114.554 0.186 0.000 2.729 360 T HA 0.166 4.516 4.350 -0.000 0.000 0.298 360 T C -0.584 174.192 174.700 0.127 0.000 1.013 360 T CA -0.512 61.719 62.100 0.218 0.000 0.957 360 T CB 0.954 70.055 68.868 0.389 0.000 1.130 360 T HN 0.367 nan 8.240 nan 0.000 0.526 361 H N 1.314 120.410 119.070 0.043 0.000 2.970 361 H HA 0.433 4.989 4.556 0.000 0.000 0.315 361 H C -2.643 172.726 175.328 0.068 0.000 0.992 361 H CA -1.779 54.230 56.048 -0.066 0.000 1.363 361 H CB 1.216 30.790 29.762 -0.315 0.000 1.532 361 H HN 0.464 nan 8.280 nan 0.000 0.514 362 P HA 0.022 nan 4.420 nan 0.000 0.269 362 P C -0.477 176.717 177.300 -0.177 0.000 1.215 362 P CA -0.090 62.810 63.100 -0.332 0.000 0.780 362 P CB 1.610 33.214 31.700 -0.160 0.000 0.898 363 E N 0.112 120.145 120.200 -0.278 0.000 2.345 363 E HA 0.417 4.767 4.350 -0.000 0.000 0.259 363 E C -0.564 175.859 176.600 -0.296 0.000 1.117 363 E CA -0.927 55.325 56.400 -0.246 0.000 0.913 363 E CB 0.946 30.493 29.700 -0.255 0.000 1.057 363 E HN 0.201 nan 8.360 nan 0.000 0.432 364 V N 0.381 120.102 119.914 -0.322 0.000 2.760 364 V HA 0.739 4.859 4.120 -0.000 0.000 0.309 364 V C -0.753 175.279 176.094 -0.104 0.000 1.077 364 V CA -0.758 61.399 62.300 -0.239 0.000 0.910 364 V CB 1.558 33.125 31.823 -0.427 0.000 1.008 364 V HN 0.794 nan 8.190 nan 0.000 0.424 365 A N 3.849 126.698 122.820 0.049 0.000 2.574 365 A HA 1.019 5.339 4.320 -0.000 0.000 0.297 365 A C -1.744 175.953 177.584 0.187 0.000 1.062 365 A CA -0.605 51.399 52.037 -0.056 0.000 0.686 365 A CB 1.774 20.658 19.000 -0.193 0.000 1.285 365 A HN 1.736 nan 8.150 nan 0.000 0.403 366 W N -0.241 120.978 121.300 -0.135 0.000 3.059 366 W HA 0.735 5.395 4.660 -0.000 0.000 0.329 366 W C -1.967 174.445 176.519 -0.178 0.000 1.246 366 W CA -1.027 56.186 57.345 -0.220 0.000 1.190 366 W CB 1.009 30.323 29.460 -0.243 0.000 1.423 366 W HN 1.126 nan 8.180 nan 0.000 0.571 367 V N 2.262 122.164 119.914 -0.020 0.000 3.077 367 V HA 0.840 4.960 4.120 -0.000 0.000 0.299 367 V C 0.229 176.342 176.094 0.032 0.000 1.276 367 V CA 0.447 62.740 62.300 -0.012 0.000 0.993 367 V CB 1.346 33.140 31.823 -0.049 0.000 1.076 367 V HN 2.307 nan 8.190 nan 0.000 0.434 368 G N 5.048 113.901 108.800 0.089 0.000 2.508 368 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.220 368 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.220 368 G C -0.639 174.348 174.900 0.145 0.000 1.287 368 G CA 0.137 45.294 45.100 0.096 0.000 0.916 368 G HN 0.966 nan 8.290 nan 0.000 0.574 369 K N 0.520 121.000 120.400 0.132 0.000 2.123 369 K HA 0.637 4.957 4.320 -0.000 0.000 0.259 369 K C 0.713 177.430 176.600 0.195 0.000 0.960 369 K CA 0.054 56.419 56.287 0.130 0.000 0.872 369 K CB 1.674 34.202 32.500 0.046 0.000 1.079 369 K HN 0.889 nan 8.250 nan 0.000 0.440 370 S N 0.346 116.086 115.700 0.067 0.000 2.681 370 S HA 0.133 4.603 4.470 -0.000 0.000 0.270 370 S C 0.898 175.338 174.600 -0.268 0.000 1.209 370 S CA -0.580 57.517 58.200 -0.173 0.000 0.988 370 S CB 1.130 64.184 63.200 -0.244 0.000 1.006 370 S HN 0.646 nan 8.310 nan 0.000 0.558 371 E N 0.463 120.443 120.200 -0.367 0.000 2.110 371 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 371 E C 1.694 178.178 176.600 -0.194 0.000 0.988 371 E CA 1.358 57.547 56.400 -0.352 0.000 0.804 371 E CB -0.152 29.412 29.700 -0.226 0.000 0.745 371 E HN 0.696 nan 8.360 nan 0.000 0.458 372 E N 0.788 120.892 120.200 -0.159 0.000 2.150 372 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 372 E C 1.927 178.489 176.600 -0.063 0.000 0.985 372 E CA 0.890 57.235 56.400 -0.091 0.000 0.814 372 E CB -0.081 29.556 29.700 -0.106 0.000 0.752 372 E HN 0.228 nan 8.360 nan 0.000 0.466 373 Q N -0.106 119.648 119.800 -0.077 0.000 2.079 373 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 373 Q C 2.136 178.121 176.000 -0.025 0.000 0.974 373 Q CA 1.018 56.800 55.803 -0.035 0.000 0.840 373 Q CB -0.072 28.656 28.738 -0.016 0.000 0.898 373 Q HN 0.272 nan 8.270 nan 0.000 0.430 374 L N 0.377 121.556 121.223 -0.074 0.000 2.056 374 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 374 L C 2.279 179.197 176.870 0.080 0.000 1.078 374 L CA 1.232 56.051 54.840 -0.034 0.000 0.749 374 L CB -0.389 41.531 42.059 -0.231 0.000 0.901 374 L HN 0.147 nan 8.230 nan 0.000 0.433 375 K N 0.017 120.475 120.400 0.096 0.000 2.032 375 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 375 K C 2.084 178.724 176.600 0.068 0.000 1.048 375 K CA 1.766 58.131 56.287 0.130 0.000 0.927 375 K CB -0.185 32.379 32.500 0.107 0.000 0.712 375 K HN 0.301 nan 8.250 nan 0.000 0.441 376 E N 1.313 121.535 120.200 0.037 0.000 2.110 376 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 376 E C 1.131 177.751 176.600 0.033 0.000 0.988 376 E CA 1.263 57.680 56.400 0.028 0.000 0.804 376 E CB 0.148 29.858 29.700 0.016 0.000 0.745 376 E HN 0.321 nan 8.360 nan 0.000 0.458 377 E N -0.735 119.488 120.200 0.038 0.000 2.502 377 E HA 0.054 4.404 4.350 -0.000 0.000 0.194 377 E C 0.712 177.341 176.600 0.049 0.000 1.062 377 E CA 0.287 56.711 56.400 0.040 0.000 0.867 377 E CB 0.213 29.937 29.700 0.040 0.000 0.888 377 E HN 0.445 nan 8.360 nan 0.000 0.510 378 G N 2.003 110.838 108.800 0.058 0.000 2.295 378 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.287 378 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.287 378 G C 0.032 174.976 174.900 0.073 0.000 1.055 378 G CA 0.057 45.193 45.100 0.059 0.000 0.922 378 G HN 0.243 nan 8.290 nan 0.000 0.503 379 I N 0.284 120.923 120.570 0.114 0.000 2.353 379 I HA 0.248 4.418 4.170 -0.000 0.000 0.293 379 I C 0.675 176.906 176.117 0.191 0.000 0.992 379 I CA -0.576 60.804 61.300 0.134 0.000 1.268 379 I CB 1.126 39.207 38.000 0.135 0.000 1.387 379 I HN 0.133 nan 8.210 nan 0.000 0.478 380 E N 6.580 126.844 120.200 0.106 0.000 2.290 380 E HA 0.262 4.612 4.350 -0.000 0.000 0.277 380 E C -1.397 175.259 176.600 0.093 0.000 1.035 380 E CA -0.099 56.320 56.400 0.030 0.000 0.873 380 E CB 0.966 30.659 29.700 -0.013 0.000 1.029 380 E HN 0.448 nan 8.360 nan 0.000 0.419 381 Y N 0.368 120.671 120.300 0.005 0.000 2.644 381 Y HA 0.539 5.089 4.550 -0.000 0.000 0.338 381 Y C -0.976 174.926 175.900 0.002 0.000 1.119 381 Y CA -1.493 56.612 58.100 0.008 0.000 1.060 381 Y CB 1.037 39.505 38.460 0.014 0.000 1.294 381 Y HN 0.276 nan 8.280 nan 0.000 0.472 382 K N 0.795 121.299 120.400 0.174 0.000 2.350 382 K HA 0.880 5.200 4.320 -0.000 0.000 0.241 382 K C -1.767 174.962 176.600 0.214 0.000 0.994 382 K CA -1.123 55.218 56.287 0.090 0.000 0.839 382 K CB 2.624 35.148 32.500 0.039 0.000 1.244 382 K HN 0.510 nan 8.250 nan 0.000 0.443 383 V N 0.323 120.318 119.914 0.136 0.000 2.604 383 V HA 0.632 4.752 4.120 -0.000 0.000 0.305 383 V C -0.224 175.916 176.094 0.078 0.000 1.043 383 V CA -0.690 61.688 62.300 0.129 0.000 0.888 383 V CB 1.823 33.723 31.823 0.129 0.000 0.995 383 V HN 0.979 nan 8.190 nan 0.000 0.429 384 G N 3.134 111.975 108.800 0.068 0.000 2.609 384 G HA2 0.712 4.672 3.960 -0.000 0.000 0.308 384 G HA3 0.712 4.672 3.960 -0.000 0.000 0.308 384 G C -1.114 173.823 174.900 0.062 0.000 1.369 384 G CA -0.633 44.503 45.100 0.061 0.000 0.958 384 G HN 0.604 nan 8.290 nan 0.000 0.499 385 K N 1.001 121.449 120.400 0.081 0.000 2.371 385 K HA 0.591 4.911 4.320 -0.000 0.000 0.251 385 K C -1.922 174.724 176.600 0.076 0.000 0.934 385 K CA -0.784 55.536 56.287 0.054 0.000 0.798 385 K CB 2.903 35.412 32.500 0.015 0.000 1.204 385 K HN 0.392 nan 8.250 nan 0.000 0.427 386 F N 4.434 124.282 119.950 -0.170 0.000 2.562 386 F HA 0.357 4.884 4.527 -0.000 0.000 0.319 386 F C -2.530 173.012 175.800 -0.431 0.000 1.154 386 F CA -2.010 55.827 58.000 -0.271 0.000 0.931 386 F CB 1.780 40.646 39.000 -0.225 0.000 1.198 386 F HN 0.310 nan 8.300 nan 0.000 0.444 387 P HA 0.157 nan 4.420 nan 0.000 0.285 387 P C 0.374 177.385 177.300 -0.482 0.000 1.259 387 P CA -0.073 62.618 63.100 -0.681 0.000 0.794 387 P CB 0.967 32.167 31.700 -0.833 0.000 0.940 388 F N 2.275 122.169 119.950 -0.094 0.000 2.333 388 F HA -0.124 4.403 4.527 -0.000 0.000 0.300 388 F C 2.580 178.373 175.800 -0.011 0.000 1.083 388 F CA 1.704 59.719 58.000 0.024 0.000 1.395 388 F CB -1.197 37.821 39.000 0.031 0.000 1.056 388 F HN 0.367 nan 8.300 nan 0.000 0.529 389 A N -0.284 122.567 122.820 0.051 0.000 2.076 389 A HA -0.013 4.307 4.320 -0.000 0.000 0.220 389 A C 2.226 179.814 177.584 0.005 0.000 1.160 389 A CA 1.624 53.673 52.037 0.021 0.000 0.653 389 A CB -0.911 18.065 19.000 -0.039 0.000 0.801 389 A HN 0.277 nan 8.150 nan 0.000 0.455 390 A N -0.873 121.887 122.820 -0.099 0.000 2.348 390 A HA 0.164 4.484 4.320 -0.000 0.000 0.224 390 A C 0.854 178.614 177.584 0.294 0.000 1.227 390 A CA -0.154 51.876 52.037 -0.011 0.000 0.885 390 A CB -0.239 18.533 19.000 -0.379 0.000 0.933 390 A HN 0.507 nan 8.150 nan 0.000 0.506 391 N N 0.394 119.304 118.700 0.351 0.000 2.488 391 N HA 0.104 4.844 4.740 -0.000 0.000 0.274 391 N C 0.503 176.158 175.510 0.242 0.000 1.111 391 N CA 0.201 53.479 53.050 0.380 0.000 0.974 391 N CB 1.112 39.852 38.487 0.422 0.000 1.089 391 N HN 0.090 nan 8.380 nan 0.000 0.465 392 S N 3.577 119.392 115.700 0.190 0.000 2.368 392 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 392 S C 1.741 176.377 174.600 0.059 0.000 1.030 392 S CA 0.917 59.185 58.200 0.114 0.000 0.999 392 S CB -0.068 63.179 63.200 0.079 0.000 0.844 392 S HN 0.654 nan 8.310 nan 0.000 0.459 393 R N 1.053 121.579 120.500 0.044 0.000 2.066 393 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 393 R C 2.452 178.797 176.300 0.075 0.000 1.131 393 R CA 1.262 57.383 56.100 0.035 0.000 0.955 393 R CB -0.499 29.820 30.300 0.030 0.000 0.851 393 R HN 0.371 nan 8.270 nan 0.000 0.432 394 A N 1.070 123.968 122.820 0.129 0.000 1.908 394 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 394 A C 2.057 179.707 177.584 0.109 0.000 1.181 394 A CA 1.929 54.040 52.037 0.123 0.000 0.627 394 A CB -0.425 18.706 19.000 0.219 0.000 0.818 394 A HN 0.255 nan 8.150 nan 0.000 0.445 395 K N -0.619 119.852 120.400 0.118 0.000 2.103 395 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 395 K C 1.899 178.544 176.600 0.075 0.000 1.052 395 K CA 1.986 58.331 56.287 0.098 0.000 0.945 395 K CB -0.747 31.815 32.500 0.104 0.000 0.722 395 K HN 0.390 nan 8.250 nan 0.000 0.443 396 T N 1.053 115.646 114.554 0.064 0.000 2.833 396 T HA -0.048 4.302 4.350 -0.000 0.000 0.269 396 T C 1.020 175.747 174.700 0.045 0.000 1.054 396 T CA 1.393 63.521 62.100 0.046 0.000 1.135 396 T CB -0.240 68.646 68.868 0.030 0.000 0.869 396 T HN 0.246 nan 8.240 nan 0.000 0.466 397 N N 0.791 119.525 118.700 0.056 0.000 2.412 397 N HA 0.335 5.075 4.740 -0.000 0.000 0.184 397 N C 0.849 176.405 175.510 0.076 0.000 1.101 397 N CA 0.568 53.655 53.050 0.062 0.000 0.881 397 N CB -0.014 38.516 38.487 0.071 0.000 0.969 397 N HN 0.376 nan 8.380 nan 0.000 0.459 398 A N 0.927 123.792 122.820 0.076 0.000 2.739 398 A HA -0.198 4.122 4.320 -0.000 0.000 0.296 398 A C -0.224 177.423 177.584 0.105 0.000 1.488 398 A CA 0.972 53.059 52.037 0.082 0.000 0.746 398 A CB -1.947 17.096 19.000 0.072 0.000 1.047 398 A HN 0.278 nan 8.150 nan 0.000 0.477 399 D N -0.035 120.429 120.400 0.106 0.000 2.405 399 D HA 0.434 5.074 4.640 -0.000 0.000 0.264 399 D C 0.902 177.243 176.300 0.068 0.000 1.240 399 D CA 0.514 54.587 54.000 0.121 0.000 0.893 399 D CB 0.194 41.081 40.800 0.144 0.000 1.198 399 D HN 0.579 nan 8.370 nan 0.000 0.514 400 T N -1.528 113.076 114.554 0.082 0.000 3.129 400 T HA 0.227 4.577 4.350 -0.000 0.000 0.267 400 T C 0.388 175.149 174.700 0.101 0.000 1.018 400 T CA -0.559 61.600 62.100 0.098 0.000 0.903 400 T CB 0.237 69.167 68.868 0.102 0.000 1.067 400 T HN -0.002 nan 8.240 nan 0.000 0.549 401 D N 1.910 122.345 120.400 0.058 0.000 2.368 401 D HA 0.494 5.134 4.640 -0.000 0.000 0.240 401 D C 1.220 177.590 176.300 0.116 0.000 1.169 401 D CA 1.291 55.331 54.000 0.066 0.000 0.906 401 D CB 0.734 41.559 40.800 0.041 0.000 1.187 401 D HN 0.561 nan 8.370 nan 0.000 0.435 402 G N -0.259 108.618 108.800 0.129 0.000 2.681 402 G HA2 0.053 4.013 3.960 -0.000 0.000 0.220 402 G HA3 0.053 4.013 3.960 -0.000 0.000 0.220 402 G C -0.400 174.643 174.900 0.239 0.000 1.353 402 G CA 0.150 45.365 45.100 0.193 0.000 0.872 402 G HN 0.799 nan 8.290 nan 0.000 0.557 403 M N -3.505 116.241 119.600 0.243 0.000 3.012 403 M HA 0.742 5.222 4.480 -0.000 0.000 0.272 403 M C -1.287 175.024 176.300 0.017 0.000 1.187 403 M CA -1.191 54.099 55.300 -0.018 0.000 0.813 403 M CB 1.688 34.239 32.600 -0.081 0.000 1.626 403 M HN 1.044 nan 8.290 nan 0.000 0.507 404 V N 1.491 121.336 119.914 -0.115 0.000 2.459 404 V HA 0.637 4.757 4.120 -0.000 0.000 0.295 404 V C -0.839 175.285 176.094 0.049 0.000 1.029 404 V CA -0.439 61.877 62.300 0.026 0.000 0.874 404 V CB 1.813 33.641 31.823 0.008 0.000 0.985 404 V HN 0.785 nan 8.190 nan 0.000 0.438 405 K N 5.245 125.712 120.400 0.111 0.000 2.413 405 K HA 0.607 4.927 4.320 -0.000 0.000 0.257 405 K C -1.448 175.237 176.600 0.140 0.000 0.946 405 K CA -0.588 55.757 56.287 0.097 0.000 0.823 405 K CB 1.221 33.764 32.500 0.072 0.000 1.109 405 K HN 0.478 nan 8.250 nan 0.000 0.427 406 I N 5.633 126.253 120.570 0.083 0.000 2.412 406 I HA 0.340 4.510 4.170 -0.000 0.000 0.296 406 I C -0.433 175.733 176.117 0.083 0.000 0.987 406 I CA -0.891 60.452 61.300 0.071 0.000 1.180 406 I CB 1.514 39.494 38.000 -0.033 0.000 1.340 406 I HN 0.642 nan 8.210 nan 0.000 0.455 407 L N 5.257 126.535 121.223 0.090 0.000 2.298 407 L HA 0.633 4.973 4.340 -0.000 0.000 0.284 407 L C 0.384 177.301 176.870 0.079 0.000 1.013 407 L CA -0.421 54.459 54.840 0.067 0.000 0.824 407 L CB 1.802 43.830 42.059 -0.051 0.000 1.221 407 L HN 0.678 nan 8.230 nan 0.000 0.418 408 G N 1.415 110.287 108.800 0.120 0.000 2.453 408 G HA2 0.453 4.413 3.960 -0.000 0.000 0.323 408 G HA3 0.453 4.413 3.960 -0.000 0.000 0.323 408 G C -0.957 174.027 174.900 0.140 0.000 1.198 408 G CA -0.468 44.693 45.100 0.102 0.000 0.959 408 G HN 0.496 nan 8.290 nan 0.000 0.482 409 Q N 0.795 120.660 119.800 0.108 0.000 2.274 409 Q HA 0.110 4.450 4.340 -0.000 0.000 0.280 409 Q C 1.569 177.619 176.000 0.084 0.000 1.047 409 Q CA 0.040 55.908 55.803 0.108 0.000 0.907 409 Q CB 1.318 30.104 28.738 0.079 0.000 1.171 409 Q HN 0.527 nan 8.270 nan 0.000 0.381 410 K N 2.284 122.731 120.400 0.078 0.000 2.107 410 K HA -0.203 4.117 4.320 -0.000 0.000 0.211 410 K C 1.008 177.622 176.600 0.023 0.000 1.049 410 K CA 2.529 58.835 56.287 0.031 0.000 0.927 410 K CB -0.074 32.425 32.500 -0.001 0.000 0.714 410 K HN 0.674 nan 8.250 nan 0.000 0.452 411 S N -1.822 113.895 115.700 0.028 0.000 2.545 411 S HA -0.005 4.465 4.470 -0.000 0.000 0.232 411 S C 1.583 176.200 174.600 0.027 0.000 1.070 411 S CA 0.648 58.861 58.200 0.022 0.000 0.923 411 S CB 0.376 63.587 63.200 0.018 0.000 0.806 411 S HN 0.653 nan 8.310 nan 0.000 0.506 412 T N -0.895 113.680 114.554 0.035 0.000 3.081 412 T HA 0.129 4.479 4.350 -0.000 0.000 0.255 412 T C 0.559 175.282 174.700 0.039 0.000 1.113 412 T CA 0.941 63.062 62.100 0.036 0.000 1.082 412 T CB -0.279 68.612 68.868 0.039 0.000 0.939 412 T HN 0.214 nan 8.240 nan 0.000 0.506 413 D N 0.588 121.013 120.400 0.042 0.000 3.076 413 D HA -0.195 4.445 4.640 -0.000 0.000 0.218 413 D C 0.162 176.489 176.300 0.045 0.000 1.156 413 D CA 0.699 54.725 54.000 0.043 0.000 0.921 413 D CB -1.457 39.366 40.800 0.037 0.000 1.113 413 D HN 0.725 nan 8.370 nan 0.000 0.418 414 R N -0.104 120.427 120.500 0.051 0.000 2.491 414 R HA 0.388 4.728 4.340 -0.000 0.000 0.283 414 R C -0.265 176.070 176.300 0.059 0.000 1.072 414 R CA -0.431 55.703 56.100 0.055 0.000 1.048 414 R CB 0.741 31.076 30.300 0.058 0.000 0.983 414 R HN -0.011 nan 8.270 nan 0.000 0.450 415 V N 7.462 127.411 119.914 0.058 0.000 2.479 415 V HA -0.005 4.115 4.120 -0.000 0.000 0.281 415 V C 1.127 177.263 176.094 0.070 0.000 1.031 415 V CA 0.297 62.633 62.300 0.060 0.000 1.038 415 V CB 0.944 32.806 31.823 0.065 0.000 0.981 415 V HN 0.835 nan 8.190 nan 0.000 0.478 416 L N 3.934 125.196 121.223 0.066 0.000 2.537 416 L HA 0.506 4.846 4.340 -0.000 0.000 0.224 416 L C 1.032 177.943 176.870 0.068 0.000 1.065 416 L CA 0.656 55.532 54.840 0.060 0.000 0.860 416 L CB 0.323 42.407 42.059 0.041 0.000 1.086 416 L HN 0.784 nan 8.230 nan 0.000 0.482 417 G N -0.166 108.683 108.800 0.081 0.000 2.755 417 G HA2 0.663 4.623 3.960 -0.000 0.000 0.297 417 G HA3 0.663 4.623 3.960 -0.000 0.000 0.297 417 G C -1.932 173.019 174.900 0.084 0.000 1.441 417 G CA -0.060 45.097 45.100 0.096 0.000 0.964 417 G HN -0.013 nan 8.290 nan 0.000 0.540 418 A N 2.025 124.802 122.820 -0.070 0.000 2.343 418 A HA 0.847 5.167 4.320 -0.000 0.000 0.308 418 A C -0.924 176.508 177.584 -0.254 0.000 1.092 418 A CA -0.708 51.347 52.037 0.029 0.000 0.751 418 A CB 1.068 20.203 19.000 0.224 0.000 1.203 418 A HN 0.743 nan 8.150 nan 0.000 0.452 419 H N 2.225 121.396 119.070 0.168 0.000 2.609 419 H HA 0.524 5.080 4.556 -0.000 0.000 0.344 419 H C -1.329 174.087 175.328 0.147 0.000 1.040 419 H CA -0.276 55.868 56.048 0.159 0.000 1.216 419 H CB 1.801 31.585 29.762 0.036 0.000 1.529 419 H HN 0.550 nan 8.280 nan 0.000 0.519 420 I N 3.925 124.631 120.570 0.227 0.000 2.466 420 I HA 0.148 4.318 4.170 -0.000 0.000 0.289 420 I C -0.910 175.296 176.117 0.148 0.000 1.026 420 I CA -0.772 60.654 61.300 0.211 0.000 1.078 420 I CB 2.376 40.490 38.000 0.191 0.000 1.249 420 I HN 0.205 nan 8.210 nan 0.000 0.429 421 L N 6.739 128.067 121.223 0.174 0.000 2.372 421 L HA 1.002 5.342 4.340 -0.000 0.000 0.273 421 L C -0.117 176.818 176.870 0.107 0.000 0.989 421 L CA 0.375 55.249 54.840 0.056 0.000 0.841 421 L CB 1.048 43.130 42.059 0.039 0.000 1.225 421 L HN 0.825 nan 8.230 nan 0.000 0.414 422 G N 4.268 113.004 108.800 -0.107 0.000 2.340 422 G HA2 0.119 4.079 3.960 -0.000 0.000 0.282 422 G HA3 0.119 4.079 3.960 -0.000 0.000 0.282 422 G C -3.329 171.242 174.900 -0.547 0.000 1.312 422 G CA -0.529 44.363 45.100 -0.347 0.000 0.942 422 G HN 0.527 nan 8.290 nan 0.000 0.495 423 P HA 0.323 nan 4.420 nan 0.000 0.265 423 P C 1.071 178.122 177.300 -0.415 0.000 1.193 423 P CA 1.903 64.702 63.100 -0.503 0.000 0.765 423 P CB 0.780 32.242 31.700 -0.396 0.000 0.823 424 G N 2.834 111.503 108.800 -0.218 0.000 2.166 424 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.260 424 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.260 424 G C 1.133 175.959 174.900 -0.124 0.000 0.986 424 G CA 0.557 45.578 45.100 -0.131 0.000 0.683 424 G HN 0.715 nan 8.290 nan 0.000 0.527 425 A N 0.058 122.780 122.820 -0.162 0.000 1.892 425 A HA 0.176 4.496 4.320 -0.000 0.000 0.218 425 A C 2.870 180.355 177.584 -0.166 0.000 1.188 425 A CA 2.419 54.383 52.037 -0.121 0.000 0.631 425 A CB -1.085 17.835 19.000 -0.133 0.000 0.822 425 A HN 1.657 nan 8.150 nan 0.000 0.447 426 G N -0.689 107.974 108.800 -0.229 0.000 2.440 426 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 426 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 426 G C 1.413 176.212 174.900 -0.169 0.000 1.154 426 G CA 1.076 46.013 45.100 -0.273 0.000 0.767 426 G HN 0.522 nan 8.290 nan 0.000 0.552 427 E N -0.212 119.921 120.200 -0.111 0.000 2.112 427 E HA 0.019 4.369 4.350 -0.000 0.000 0.190 427 E C 2.353 178.879 176.600 -0.123 0.000 0.979 427 E CA 0.306 56.652 56.400 -0.091 0.000 0.814 427 E CB -0.371 29.298 29.700 -0.052 0.000 0.762 427 E HN 0.494 nan 8.360 nan 0.000 0.460 428 M N 0.716 120.239 119.600 -0.127 0.000 2.159 428 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 428 M C 2.220 178.354 176.300 -0.276 0.000 1.063 428 M CA 0.960 56.154 55.300 -0.178 0.000 1.110 428 M CB -0.001 32.539 32.600 -0.100 0.000 1.374 428 M HN -0.043 nan 8.290 nan 0.000 0.411 429 V N 1.439 121.224 119.914 -0.216 0.000 2.688 429 V HA -0.266 3.854 4.120 -0.000 0.000 0.256 429 V C 1.703 177.669 176.094 -0.214 0.000 1.084 429 V CA 1.837 64.007 62.300 -0.218 0.000 1.103 429 V CB -0.829 30.874 31.823 -0.200 0.000 0.688 429 V HN 0.574 nan 8.190 nan 0.000 0.480 430 N N -0.083 118.499 118.700 -0.197 0.000 2.331 430 N HA -0.162 4.578 4.740 -0.000 0.000 0.180 430 N C 1.784 177.204 175.510 -0.149 0.000 1.019 430 N CA 1.417 54.373 53.050 -0.156 0.000 0.881 430 N CB -0.072 38.337 38.487 -0.131 0.000 0.972 430 N HN 0.706 nan 8.380 nan 0.000 0.435 431 E N 1.248 121.315 120.200 -0.223 0.000 2.072 431 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 431 E C 1.881 178.364 176.600 -0.194 0.000 0.985 431 E CA 0.862 57.130 56.400 -0.220 0.000 0.801 431 E CB 0.053 29.555 29.700 -0.330 0.000 0.750 431 E HN 0.258 nan 8.360 nan 0.000 0.452 432 A N 1.450 124.070 122.820 -0.334 0.000 1.877 432 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 432 A C 2.457 180.060 177.584 0.031 0.000 1.186 432 A CA 1.977 53.976 52.037 -0.063 0.000 0.620 432 A CB -0.964 17.992 19.000 -0.074 0.000 0.822 432 A HN 0.428 nan 8.150 nan 0.000 0.443 433 A N -0.526 122.273 122.820 -0.034 0.000 1.908 433 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 433 A C 2.168 179.779 177.584 0.044 0.000 1.181 433 A CA 1.890 53.924 52.037 -0.005 0.000 0.627 433 A CB -0.681 18.291 19.000 -0.047 0.000 0.818 433 A HN 0.782 nan 8.150 nan 0.000 0.445 434 L N -0.346 120.904 121.223 0.045 0.000 2.046 434 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 434 L C 2.669 179.660 176.870 0.203 0.000 1.077 434 L CA 2.218 57.129 54.840 0.119 0.000 0.747 434 L CB -0.779 41.325 42.059 0.076 0.000 0.896 434 L HN 0.346 nan 8.230 nan 0.000 0.432 435 A N -0.641 122.273 122.820 0.157 0.000 1.883 435 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 435 A C 2.145 179.846 177.584 0.194 0.000 1.186 435 A CA 2.060 54.208 52.037 0.185 0.000 0.624 435 A CB -0.941 18.195 19.000 0.227 0.000 0.822 435 A HN 0.433 nan 8.150 nan 0.000 0.444 436 L N -0.543 120.772 121.223 0.154 0.000 2.131 436 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 436 L C 2.335 179.270 176.870 0.108 0.000 1.092 436 L CA 2.022 56.935 54.840 0.121 0.000 0.759 436 L CB -0.619 41.495 42.059 0.091 0.000 0.903 436 L HN 0.456 nan 8.230 nan 0.000 0.435 437 E N -1.474 118.793 120.200 0.110 0.000 2.268 437 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 437 E C 1.371 177.964 176.600 -0.012 0.000 0.995 437 E CA 1.073 57.498 56.400 0.041 0.000 0.836 437 E CB -0.085 29.630 29.700 0.024 0.000 0.763 437 E HN 0.538 nan 8.360 nan 0.000 0.491 438 Y N -1.016 119.305 120.300 0.035 0.000 2.468 438 Y HA 0.262 4.812 4.550 0.000 0.000 0.268 438 Y C 1.314 177.236 175.900 0.036 0.000 1.177 438 Y CA 0.369 58.489 58.100 0.033 0.000 1.265 438 Y CB 0.796 39.275 38.460 0.032 0.000 1.103 438 Y HN 0.118 nan 8.280 nan 0.000 0.522 439 G N 0.839 109.729 108.800 0.150 0.000 2.249 439 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.273 439 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.273 439 G C 0.441 175.411 174.900 0.118 0.000 1.036 439 G CA 0.071 45.236 45.100 0.109 0.000 0.824 439 G HN 0.635 nan 8.290 nan 0.000 0.504 440 A N -0.199 122.705 122.820 0.140 0.000 2.507 440 A HA 0.643 4.963 4.320 -0.000 0.000 0.235 440 A C 1.109 178.739 177.584 0.076 0.000 1.070 440 A CA 0.982 53.084 52.037 0.108 0.000 0.768 440 A CB 0.308 19.374 19.000 0.111 0.000 1.011 440 A HN 2.073 nan 8.150 nan 0.000 0.502 441 S N 0.212 115.945 115.700 0.055 0.000 2.687 441 S HA 0.302 4.772 4.470 -0.000 0.000 0.283 441 S C 1.016 175.627 174.600 0.018 0.000 1.170 441 S CA -0.186 58.038 58.200 0.039 0.000 1.008 441 S CB 0.841 64.062 63.200 0.035 0.000 1.026 441 S HN 0.720 nan 8.310 nan 0.000 0.541 442 C N 0.768 120.071 119.300 0.005 0.000 2.413 442 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 442 C C 2.692 177.661 174.990 -0.036 0.000 1.265 442 C CA 1.216 60.213 59.018 -0.034 0.000 1.752 442 C CB -1.570 26.157 27.740 -0.022 0.000 1.998 442 C HN 1.096 nan 8.230 nan 0.000 0.489 443 E N 0.993 121.190 120.200 -0.005 0.000 2.077 443 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 443 E C 1.488 178.083 176.600 -0.008 0.000 0.989 443 E CA 1.376 57.773 56.400 -0.003 0.000 0.800 443 E CB -0.151 29.558 29.700 0.015 0.000 0.746 443 E HN 0.546 nan 8.360 nan 0.000 0.452 444 D N 0.621 121.023 120.400 0.003 0.000 2.116 444 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 444 D C 2.068 178.377 176.300 0.015 0.000 0.998 444 D CA 1.272 55.277 54.000 0.008 0.000 0.836 444 D CB -0.223 40.587 40.800 0.018 0.000 0.951 444 D HN 0.357 nan 8.370 nan 0.000 0.449 445 I N 1.098 121.674 120.570 0.011 0.000 2.252 445 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 445 I C 2.524 178.650 176.117 0.015 0.000 1.102 445 I CA 0.808 62.133 61.300 0.042 0.000 1.385 445 I CB -0.246 37.733 38.000 -0.036 0.000 1.064 445 I HN -0.096 nan 8.210 nan 0.000 0.414 446 A N 0.918 123.703 122.820 -0.058 0.000 1.978 446 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 446 A C 2.347 179.908 177.584 -0.039 0.000 1.170 446 A CA 1.455 53.442 52.037 -0.083 0.000 0.636 446 A CB -0.523 18.427 19.000 -0.084 0.000 0.810 446 A HN 0.357 nan 8.150 nan 0.000 0.448 447 R N -0.786 119.708 120.500 -0.011 0.000 2.240 447 R HA 0.109 4.449 4.340 -0.000 0.000 0.203 447 R C -0.131 176.186 176.300 0.028 0.000 1.011 447 R CA 0.054 56.151 56.100 -0.005 0.000 1.007 447 R CB -0.119 30.172 30.300 -0.014 0.000 0.911 447 R HN 0.328 nan 8.270 nan 0.000 0.468 448 V N 1.500 121.460 119.914 0.076 0.000 2.572 448 V HA -0.060 4.060 4.120 -0.000 0.000 0.291 448 V C 0.595 176.792 176.094 0.171 0.000 1.039 448 V CA -0.555 61.798 62.300 0.089 0.000 1.055 448 V CB 1.125 33.004 31.823 0.093 0.000 0.969 448 V HN 0.311 nan 8.190 nan 0.000 0.482 449 C N 7.381 126.725 119.300 0.074 0.000 2.610 449 C HA 0.292 4.752 4.460 -0.000 0.000 0.382 449 C C 0.417 175.463 174.990 0.094 0.000 1.287 449 C CA -0.391 58.679 59.018 0.087 0.000 1.640 449 C CB -1.840 25.916 27.740 0.027 0.000 2.335 449 C HN 0.886 nan 8.230 nan 0.000 0.577 450 H N 3.485 122.563 119.070 0.014 0.000 2.467 450 H HA 0.539 5.095 4.556 -0.000 0.000 0.331 450 H C 0.616 175.971 175.328 0.045 0.000 1.120 450 H CA 0.540 56.607 56.048 0.031 0.000 1.270 450 H CB 1.236 31.023 29.762 0.041 0.000 1.466 450 H HN 0.884 nan 8.280 nan 0.000 0.504 451 A N 2.207 125.107 122.820 0.133 0.000 2.483 451 A HA 0.190 4.510 4.320 -0.000 0.000 0.238 451 A C -0.403 177.277 177.584 0.159 0.000 1.070 451 A CA 0.201 52.304 52.037 0.112 0.000 0.770 451 A CB -0.271 18.765 19.000 0.060 0.000 1.008 451 A HN 0.889 nan 8.150 nan 0.000 0.497 452 H N 1.973 121.072 119.070 0.048 0.000 2.529 452 H HA 0.639 5.195 4.556 -0.000 0.000 0.348 452 H C -2.523 172.829 175.328 0.041 0.000 1.079 452 H CA -1.534 54.541 56.048 0.045 0.000 1.198 452 H CB 1.497 31.280 29.762 0.034 0.000 1.521 452 H HN 0.563 nan 8.280 nan 0.000 0.514 453 P HA 0.291 nan 4.420 nan 0.000 0.301 453 P C -1.325 175.890 177.300 -0.142 0.000 1.338 453 P CA -0.596 62.185 63.100 -0.531 0.000 0.834 453 P CB 1.734 33.087 31.700 -0.578 0.000 0.967 454 T N -0.987 113.545 114.554 -0.037 0.000 2.903 454 T HA 0.355 4.705 4.350 -0.000 0.000 0.299 454 T C 1.192 175.951 174.700 0.098 0.000 1.093 454 T CA -0.913 61.212 62.100 0.042 0.000 1.002 454 T CB 1.004 69.917 68.868 0.076 0.000 1.127 454 T HN 0.116 nan 8.240 nan 0.000 0.488 455 L N 1.496 122.798 121.223 0.131 0.000 2.131 455 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 455 L C 3.079 180.109 176.870 0.267 0.000 1.092 455 L CA 1.715 56.705 54.840 0.249 0.000 0.759 455 L CB -0.660 41.509 42.059 0.183 0.000 0.903 455 L HN 0.973 nan 8.230 nan 0.000 0.435 456 S N -0.373 115.441 115.700 0.189 0.000 2.440 456 S HA -0.230 4.240 4.470 -0.000 0.000 0.238 456 S C 1.623 176.308 174.600 0.140 0.000 1.010 456 S CA 1.333 59.664 58.200 0.218 0.000 0.972 456 S CB -0.369 62.999 63.200 0.279 0.000 0.774 456 S HN 0.524 nan 8.310 nan 0.000 0.501 457 E N 1.371 121.603 120.200 0.053 0.000 2.204 457 E HA -0.038 4.312 4.350 -0.000 0.000 0.195 457 E C 2.394 178.805 176.600 -0.315 0.000 0.990 457 E CA 0.933 57.254 56.400 -0.133 0.000 0.821 457 E CB -0.422 29.247 29.700 -0.051 0.000 0.750 457 E HN 0.779 nan 8.360 nan 0.000 0.477 458 A N 0.964 123.652 122.820 -0.220 0.000 1.933 458 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 458 A C 1.930 179.362 177.584 -0.253 0.000 1.175 458 A CA 0.969 52.762 52.037 -0.406 0.000 0.628 458 A CB -0.608 18.126 19.000 -0.444 0.000 0.814 458 A HN 0.335 nan 8.150 nan 0.000 0.444 459 F N 0.502 120.320 119.950 -0.220 0.000 2.146 459 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 459 F C 2.332 177.997 175.800 -0.225 0.000 1.096 459 F CA 1.857 59.770 58.000 -0.144 0.000 1.275 459 F CB -0.251 38.727 39.000 -0.035 0.000 1.008 459 F HN 0.203 nan 8.300 nan 0.000 0.480 460 R N 0.469 120.760 120.500 -0.349 0.000 2.066 460 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 460 R C 2.145 178.188 176.300 -0.429 0.000 1.131 460 R CA 1.833 57.605 56.100 -0.547 0.000 0.955 460 R CB -0.419 29.380 30.300 -0.835 0.000 0.851 460 R HN 0.332 nan 8.270 nan 0.000 0.432 461 E N -0.033 119.882 120.200 -0.476 0.000 2.150 461 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 461 E C 1.816 178.287 176.600 -0.215 0.000 0.985 461 E CA 1.024 57.163 56.400 -0.436 0.000 0.814 461 E CB 0.001 29.129 29.700 -0.952 0.000 0.752 461 E HN 0.452 nan 8.360 nan 0.000 0.466 462 A N 1.738 124.433 122.820 -0.210 0.000 1.969 462 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 462 A C 1.912 179.418 177.584 -0.130 0.000 1.169 462 A CA 0.977 52.970 52.037 -0.073 0.000 0.635 462 A CB -0.282 18.676 19.000 -0.071 0.000 0.810 462 A HN 0.138 nan 8.150 nan 0.000 0.445 463 N N -0.345 118.193 118.700 -0.270 0.000 2.216 463 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 463 N C 1.669 177.111 175.510 -0.113 0.000 1.017 463 N CA 1.315 54.221 53.050 -0.240 0.000 0.861 463 N CB -0.230 38.029 38.487 -0.381 0.000 0.986 463 N HN 0.421 nan 8.380 nan 0.000 0.428 464 L N 1.646 122.806 121.223 -0.105 0.000 2.017 464 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 464 L C 2.236 179.152 176.870 0.077 0.000 1.073 464 L CA 1.605 56.432 54.840 -0.021 0.000 0.745 464 L CB -1.018 41.012 42.059 -0.049 0.000 0.894 464 L HN 0.054 nan 8.230 nan 0.000 0.432 465 A N -0.354 122.512 122.820 0.076 0.000 1.908 465 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 465 A C 2.428 180.058 177.584 0.076 0.000 1.181 465 A CA 2.110 54.214 52.037 0.113 0.000 0.627 465 A CB -1.252 17.829 19.000 0.135 0.000 0.818 465 A HN 0.610 nan 8.150 nan 0.000 0.445 466 A N -1.331 121.517 122.820 0.046 0.000 2.014 466 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 466 A C 2.415 180.024 177.584 0.043 0.000 1.163 466 A CA 2.021 54.081 52.037 0.038 0.000 0.652 466 A CB -0.613 18.402 19.000 0.025 0.000 0.808 466 A HN 0.552 nan 8.150 nan 0.000 0.449 467 S N -2.008 113.726 115.700 0.056 0.000 2.356 467 S HA 0.010 4.480 4.470 -0.000 0.000 0.219 467 S C 1.525 176.206 174.600 0.136 0.000 1.036 467 S CA 1.169 59.416 58.200 0.077 0.000 0.965 467 S CB -0.323 62.915 63.200 0.064 0.000 0.864 467 S HN 0.561 nan 8.310 nan 0.000 0.471 468 F N 0.963 120.906 119.950 -0.012 0.000 2.714 468 F HA 0.387 4.914 4.527 -0.000 0.000 0.294 468 F C 1.515 177.313 175.800 -0.003 0.000 1.120 468 F CA 0.977 58.972 58.000 -0.008 0.000 1.398 468 F CB 0.364 39.357 39.000 -0.011 0.000 1.120 468 F HN 0.397 nan 8.300 nan 0.000 0.589 469 G N 0.995 109.774 108.800 -0.035 0.000 2.258 469 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.233 469 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.233 469 G C 0.297 175.175 174.900 -0.036 0.000 1.006 469 G CA 0.150 45.181 45.100 -0.114 0.000 0.620 469 G HN 0.404 nan 8.290 nan 0.000 0.511 470 K N 0.468 120.918 120.400 0.084 0.000 2.502 470 K HA 0.627 4.947 4.320 -0.000 0.000 0.257 470 K C 0.011 176.769 176.600 0.264 0.000 0.938 470 K CA -0.145 56.239 56.287 0.162 0.000 0.819 470 K CB 2.259 34.842 32.500 0.139 0.000 1.333 470 K HN 0.403 nan 8.250 nan 0.000 0.434 471 S N 1.198 117.031 115.700 0.221 0.000 2.719 471 S HA 0.395 4.865 4.470 -0.000 0.000 0.285 471 S C 1.071 175.781 174.600 0.183 0.000 1.137 471 S CA -0.806 57.517 58.200 0.206 0.000 1.012 471 S CB 0.586 63.977 63.200 0.319 0.000 1.134 471 S HN 0.460 nan 8.310 nan 0.000 0.544 472 I N 0.933 121.583 120.570 0.134 0.000 2.429 472 I HA 0.024 4.194 4.170 -0.000 0.000 0.247 472 I C 1.378 177.596 176.117 0.169 0.000 1.099 472 I CA 0.890 62.253 61.300 0.105 0.000 1.422 472 I CB -1.314 36.704 38.000 0.029 0.000 1.112 472 I HN 0.644 nan 8.210 nan 0.000 0.430 473 N N -0.158 118.716 118.700 0.290 0.000 2.314 473 N HA 0.088 4.828 4.740 -0.000 0.000 0.200 473 N C -0.245 175.547 175.510 0.470 0.000 1.135 473 N CA 0.161 53.439 53.050 0.380 0.000 0.835 473 N CB 0.836 39.572 38.487 0.414 0.000 0.989 473 N HN 0.157 nan 8.380 nan 0.000 0.478 474 F N 0.000 120.074 119.950 0.207 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 57.995 58.000 -0.008 0.000 1.383 474 F CB 0.000 38.801 39.000 -0.331 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574