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 3fu8_1_B DATA FIRST_RESID 1 DATA SEQUENCE EPTcNTPSNR AcWSDGFDIN TDYEVSTPDT GVTQSYVFNL TEVDNWMGPD DATA SEQUENCE GVVKEKVMLI NGNIMGPNIV ANWGDTVEVT VINNLVTNGT SIHWHGIXQK DATA SEQUENCE DTNLHDGANG VTEcPIPPKG GQRTYRWRAR QYGTSWYHSH FSAQYGNGVV DATA SEQUENCE GTIQINGPAS LPYDIDLGVF PITDYYYRAA DDLVHFTQNN APPFSDNVLI DATA SEQUENCE NGTAVNPNTG EGQYANVTLT PGKRHRLRIL NTSTENHFQV SLVNHTMTVI DATA SEQUENCE AADMVPVNAM TVDSLFLAVG QRYDVVIDAS RAPDNYWFNV TFGGQAAcGG DATA SEQUENCE SLNPHPAAIF HYAGAPGGLP TDEGTPPVDH QcLDTLDVRP VVPRSVPVNS DATA SEQUENCE FVKRPDNTLP VALDLTGTPL FVWKVNGSDI NVDWGKPIID YILTGNTSYP DATA SEQUENCE VSDNIVQVDA VDQWTYWLIE NDPEGPFSLP HPMHLHGHDF LVLGRSPDVP DATA SEQUENCE AASQQRFVFD PAVDLARLNG DNPPRRDTTM LPAGGWLLLA FRTDNPGAWL DATA SEQUENCE FHCHIAWHVS GGLSVDFLER PADLRQRISQ EDEDDFNRVc DEWRAYWPTN DATA SEQUENCE PYPKIDSGL 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.387 176.600 -0.356 0.000 1.382 1 E CA 0.000 56.358 56.400 -0.070 0.000 0.976 1 E CB 0.000 29.648 29.700 -0.087 0.000 0.812 2 P HA 0.178 nan 4.420 nan 0.000 0.274 2 P C 0.098 177.039 177.300 -0.598 0.000 1.231 2 P CA -0.201 62.130 63.100 -1.282 0.000 0.790 2 P CB 1.253 31.919 31.700 -1.725 0.000 0.951 3 T N -3.352 110.925 114.554 -0.462 0.000 3.058 3 T HA 0.156 4.508 4.350 0.003 0.000 0.278 3 T C 0.769 175.360 174.700 -0.181 0.000 0.974 3 T CA 0.183 62.133 62.100 -0.250 0.000 0.893 3 T CB -1.052 67.718 68.868 -0.165 0.000 1.138 3 T HN 0.614 nan 8.240 nan 0.000 0.529 4 c N -0.142 118.341 118.600 -0.195 0.000 3.725 4 c HA 0.468 5.040 4.570 0.003 0.000 0.294 4 c C 0.095 174.139 174.090 -0.077 0.000 2.443 4 c CA -1.337 54.930 56.329 -0.103 0.000 1.613 4 c CB -1.766 40.713 42.510 -0.051 0.000 3.378 4 c HN 0.470 nan 8.230 nan 0.000 0.406 5 N N 3.153 121.776 118.700 -0.130 0.000 2.415 5 N HA 0.378 5.120 4.740 0.003 0.000 0.246 5 N C -0.200 175.269 175.510 -0.069 0.000 1.078 5 N CA 0.967 53.989 53.050 -0.048 0.000 0.942 5 N CB 1.093 39.584 38.487 0.006 0.000 1.140 5 N HN 0.798 nan 8.380 nan 0.000 0.501 6 T N 0.975 115.488 114.554 -0.069 0.000 2.916 6 T HA 0.426 4.778 4.350 0.003 0.000 0.292 6 T C -2.108 172.506 174.700 -0.143 0.000 1.064 6 T CA -1.711 60.334 62.100 -0.093 0.000 1.011 6 T CB 2.040 70.866 68.868 -0.070 0.000 1.152 6 T HN 0.053 nan 8.240 nan 0.000 0.510 7 P HA -0.151 nan 4.420 nan 0.000 0.216 7 P C 1.596 178.806 177.300 -0.150 0.000 1.154 7 P CA 1.660 64.635 63.100 -0.207 0.000 0.865 7 P CB -0.068 31.550 31.700 -0.136 0.000 0.789 8 S N -3.570 112.077 115.700 -0.089 0.000 2.562 8 S HA 0.064 4.535 4.470 0.003 0.000 0.221 8 S C 0.885 175.463 174.600 -0.037 0.000 0.975 8 S CA 0.119 58.288 58.200 -0.052 0.000 0.918 8 S CB -0.588 62.592 63.200 -0.035 0.000 0.772 8 S HN 0.005 nan 8.310 nan 0.000 0.531 9 N N 0.773 119.444 118.700 -0.047 0.000 2.722 9 N HA 0.299 5.041 4.740 0.003 0.000 0.242 9 N C 0.072 175.576 175.510 -0.011 0.000 1.398 9 N CA -0.308 52.733 53.050 -0.015 0.000 0.755 9 N CB 0.689 39.174 38.487 -0.003 0.000 1.268 9 N HN -0.017 nan 8.380 nan 0.000 0.522 10 R N 0.469 120.960 120.500 -0.015 0.000 2.276 10 R HA 0.238 4.580 4.340 0.003 0.000 0.196 10 R C 1.470 177.832 176.300 0.103 0.000 0.961 10 R CA 0.541 56.647 56.100 0.009 0.000 1.024 10 R CB -0.170 30.103 30.300 -0.044 0.000 0.940 10 R HN 0.463 nan 8.270 nan 0.000 0.480 11 A N 0.603 123.480 122.820 0.096 0.000 1.969 11 A HA -0.100 4.222 4.320 0.003 0.000 0.218 11 A C 1.297 178.975 177.584 0.156 0.000 1.169 11 A CA 0.581 52.690 52.037 0.120 0.000 0.635 11 A CB -0.341 18.719 19.000 0.100 0.000 0.810 11 A HN 0.338 nan 8.150 nan 0.000 0.445 12 c N -1.515 117.174 118.600 0.149 0.000 2.604 12 c HA 0.410 4.982 4.570 0.003 0.000 0.396 12 c C 1.141 175.413 174.090 0.304 0.000 1.282 12 c CA -0.361 56.075 56.329 0.179 0.000 2.292 12 c CB 0.182 42.748 42.510 0.093 0.000 2.633 12 c HN 0.695 nan 8.230 nan 0.000 0.620 13 W N 1.969 123.327 121.300 0.096 0.000 4.712 13 W HA 0.278 4.940 4.660 0.003 0.000 0.191 13 W C 0.301 176.868 176.519 0.081 0.000 1.193 13 W CA 0.661 58.067 57.345 0.103 0.000 2.258 13 W CB -0.511 29.070 29.460 0.202 0.000 0.953 13 W HN 0.774 nan 8.180 nan 0.000 0.923 14 S N 0.603 116.408 115.700 0.175 0.000 2.643 14 S HA 0.263 4.735 4.470 0.003 0.000 0.270 14 S C -1.462 173.239 174.600 0.169 0.000 1.166 14 S CA -0.704 57.529 58.200 0.055 0.000 0.815 14 S CB 1.820 65.008 63.200 -0.020 0.000 1.139 14 S HN 0.018 nan 8.310 nan 0.000 0.472 15 D N 1.066 121.528 120.400 0.104 0.000 2.451 15 D HA 0.428 5.070 4.640 0.003 0.000 0.254 15 D C 1.467 177.789 176.300 0.037 0.000 1.204 15 D CA 2.184 56.222 54.000 0.064 0.000 0.896 15 D CB 0.118 40.936 40.800 0.030 0.000 1.136 15 D HN 1.313 nan 8.370 nan 0.000 0.499 16 G N 1.770 110.512 108.800 -0.096 0.000 2.199 16 G HA2 -0.269 3.693 3.960 0.003 0.000 0.254 16 G HA3 -0.269 3.693 3.960 0.003 0.000 0.254 16 G C 0.050 174.570 174.900 -0.633 0.000 0.982 16 G CA -0.336 44.529 45.100 -0.390 0.000 0.632 16 G HN 0.404 nan 8.290 nan 0.000 0.529 17 F N 1.874 121.868 119.950 0.073 0.000 2.499 17 F HA 0.610 5.139 4.527 0.003 0.000 0.333 17 F C 0.012 175.996 175.800 0.306 0.000 1.138 17 F CA -0.486 57.598 58.000 0.139 0.000 0.945 17 F CB 2.060 40.989 39.000 -0.117 0.000 1.181 17 F HN 0.290 nan 8.300 nan 0.000 0.435 18 D N 1.137 121.831 120.400 0.491 0.000 2.752 18 D HA 0.251 4.893 4.640 0.003 0.000 0.313 18 D C 0.467 176.967 176.300 0.333 0.000 1.225 18 D CA -0.672 53.556 54.000 0.381 0.000 0.976 18 D CB 0.515 41.456 40.800 0.236 0.000 1.443 18 D HN 0.233 nan 8.370 nan 0.000 0.515 19 I N 0.031 120.735 120.570 0.223 0.000 2.657 19 I HA -0.135 4.037 4.170 0.003 0.000 0.261 19 I C 0.717 176.982 176.117 0.246 0.000 1.212 19 I CA 1.341 62.768 61.300 0.211 0.000 1.453 19 I CB -0.586 37.513 38.000 0.164 0.000 1.092 19 I HN 0.326 nan 8.210 nan 0.000 0.452 20 N N -0.677 118.155 118.700 0.219 0.000 2.254 20 N HA 0.076 4.818 4.740 0.003 0.000 0.190 20 N C 0.347 175.971 175.510 0.190 0.000 1.107 20 N CA 0.201 53.358 53.050 0.178 0.000 0.869 20 N CB 0.014 38.576 38.487 0.125 0.000 0.983 20 N HN 0.248 nan 8.380 nan 0.000 0.487 21 T N 1.679 116.396 114.554 0.272 0.000 2.934 21 T HA -0.086 4.265 4.350 0.003 0.000 0.306 21 T C 0.204 175.067 174.700 0.272 0.000 1.042 21 T CA 0.311 62.593 62.100 0.302 0.000 1.145 21 T CB 0.737 69.926 68.868 0.535 0.000 0.982 21 T HN 0.014 nan 8.240 nan 0.000 0.544 22 D N 2.546 123.033 120.400 0.146 0.000 2.435 22 D HA 0.041 4.683 4.640 0.003 0.000 0.230 22 D C 1.018 177.355 176.300 0.061 0.000 1.215 22 D CA -0.686 53.304 54.000 -0.018 0.000 0.947 22 D CB 0.024 40.800 40.800 -0.040 0.000 1.048 22 D HN 0.658 nan 8.370 nan 0.000 0.512 23 Y N 1.521 121.990 120.300 0.282 0.000 2.574 23 Y HA 0.083 4.635 4.550 0.003 0.000 0.294 23 Y C 1.427 177.465 175.900 0.230 0.000 1.142 23 Y CA 0.456 58.787 58.100 0.384 0.000 1.314 23 Y CB -0.418 38.160 38.460 0.196 0.000 0.991 23 Y HN 0.287 nan 8.280 nan 0.000 0.555 24 E N 0.471 120.589 120.200 -0.137 0.000 2.358 24 E HA -0.027 4.325 4.350 0.003 0.000 0.195 24 E C 1.590 178.220 176.600 0.051 0.000 1.010 24 E CA 1.193 57.586 56.400 -0.012 0.000 0.856 24 E CB 0.212 29.821 29.700 -0.151 0.000 0.795 24 E HN 0.606 nan 8.360 nan 0.000 0.504 25 V N -3.973 115.985 119.914 0.073 0.000 3.562 25 V HA 0.269 4.391 4.120 0.003 0.000 0.270 25 V C 0.507 176.686 176.094 0.142 0.000 1.418 25 V CA -0.377 61.975 62.300 0.087 0.000 1.033 25 V CB 1.260 33.110 31.823 0.044 0.000 0.820 25 V HN -0.139 nan 8.190 nan 0.000 0.441 26 S N 0.847 116.686 115.700 0.232 0.000 2.561 26 S HA 0.775 5.247 4.470 0.003 0.000 0.303 26 S C -0.416 174.451 174.600 0.445 0.000 1.110 26 S CA -0.205 58.181 58.200 0.309 0.000 1.034 26 S CB 1.943 65.314 63.200 0.285 0.000 1.010 26 S HN 0.549 nan 8.310 nan 0.000 0.482 27 T N 4.220 118.949 114.554 0.292 0.000 2.916 27 T HA 0.490 4.842 4.350 0.003 0.000 0.298 27 T C -2.878 171.605 174.700 -0.363 0.000 1.031 27 T CA -1.345 60.750 62.100 -0.008 0.000 0.993 27 T CB 1.691 70.608 68.868 0.081 0.000 1.045 27 T HN 0.194 nan 8.240 nan 0.000 0.454 28 P HA 0.095 nan 4.420 nan 0.000 0.265 28 P C -0.538 176.510 177.300 -0.419 0.000 1.193 28 P CA -0.118 62.311 63.100 -1.119 0.000 0.765 28 P CB 0.421 31.366 31.700 -1.258 0.000 0.823 29 D N 2.603 122.872 120.400 -0.219 0.000 2.479 29 D HA 0.070 4.712 4.640 0.003 0.000 0.218 29 D C 0.329 176.569 176.300 -0.100 0.000 1.131 29 D CA -0.022 53.910 54.000 -0.113 0.000 0.916 29 D CB 0.379 41.153 40.800 -0.043 0.000 1.022 29 D HN 0.182 nan 8.370 nan 0.000 0.515 30 T N 1.137 115.628 114.554 -0.104 0.000 2.978 30 T HA 0.123 4.475 4.350 0.003 0.000 0.262 30 T C 1.537 176.204 174.700 -0.056 0.000 1.063 30 T CA 0.593 62.649 62.100 -0.074 0.000 1.140 30 T CB 0.080 68.915 68.868 -0.054 0.000 0.886 30 T HN 0.631 nan 8.240 nan 0.000 0.470 31 G N 1.336 110.102 108.800 -0.056 0.000 2.175 31 G HA2 -0.252 3.710 3.960 0.003 0.000 0.265 31 G HA3 -0.252 3.710 3.960 0.003 0.000 0.265 31 G C 0.239 175.106 174.900 -0.055 0.000 0.979 31 G CA 0.297 45.367 45.100 -0.051 0.000 0.663 31 G HN 0.553 nan 8.290 nan 0.000 0.533 32 V N 0.946 120.827 119.914 -0.056 0.000 2.481 32 V HA 0.659 4.780 4.120 0.003 0.000 0.286 32 V C 0.601 176.646 176.094 -0.083 0.000 1.042 32 V CA 0.118 62.382 62.300 -0.061 0.000 0.928 32 V CB 1.792 33.588 31.823 -0.044 0.000 0.986 32 V HN 0.280 nan 8.190 nan 0.000 0.462 33 T N 4.614 119.108 114.554 -0.101 0.000 2.823 33 T HA 0.448 4.800 4.350 0.003 0.000 0.279 33 T C -0.657 173.950 174.700 -0.156 0.000 0.998 33 T CA -0.602 61.413 62.100 -0.141 0.000 0.994 33 T CB 1.412 70.192 68.868 -0.147 0.000 0.960 33 T HN 0.517 nan 8.240 nan 0.000 0.448 34 Q N 2.199 121.885 119.800 -0.191 0.000 2.322 34 Q HA 0.560 4.902 4.340 0.003 0.000 0.265 34 Q C -0.361 175.440 176.000 -0.332 0.000 0.985 34 Q CA -0.508 55.151 55.803 -0.240 0.000 0.849 34 Q CB 2.024 30.680 28.738 -0.137 0.000 1.274 34 Q HN 0.854 nan 8.270 nan 0.000 0.449 35 S N 2.092 117.518 115.700 -0.457 0.000 2.600 35 S HA 0.861 5.333 4.470 0.003 0.000 0.300 35 S C -1.065 173.178 174.600 -0.595 0.000 1.087 35 S CA -0.413 57.553 58.200 -0.389 0.000 0.965 35 S CB 1.368 64.430 63.200 -0.231 0.000 1.089 35 S HN 0.456 nan 8.310 nan 0.000 0.496 36 Y N -0.816 119.428 120.300 -0.092 0.000 2.581 36 Y HA 0.576 5.128 4.550 0.003 0.000 0.337 36 Y C -0.892 174.990 175.900 -0.029 0.000 1.108 36 Y CA -1.123 56.973 58.100 -0.007 0.000 1.033 36 Y CB 2.057 40.543 38.460 0.043 0.000 1.318 36 Y HN 0.635 nan 8.280 nan 0.000 0.459 37 V N 2.887 122.962 119.914 0.269 0.000 2.495 37 V HA 0.455 4.577 4.120 0.003 0.000 0.298 37 V C -1.190 175.209 176.094 0.509 0.000 1.031 37 V CA -0.830 61.609 62.300 0.232 0.000 0.871 37 V CB 1.525 33.441 31.823 0.154 0.000 0.988 37 V HN 0.452 nan 8.190 nan 0.000 0.432 38 F N 3.525 123.547 119.950 0.121 0.000 2.347 38 F HA 0.462 4.991 4.527 0.003 0.000 0.366 38 F C 0.307 176.156 175.800 0.082 0.000 1.107 38 F CA -1.596 56.465 58.000 0.101 0.000 1.058 38 F CB 1.234 40.290 39.000 0.093 0.000 1.236 38 F HN 0.457 nan 8.300 nan 0.000 0.456 39 N N 4.297 123.133 118.700 0.227 0.000 2.485 39 N HA 0.297 5.039 4.740 0.003 0.000 0.243 39 N C -1.305 174.263 175.510 0.096 0.000 0.987 39 N CA -0.364 52.770 53.050 0.139 0.000 0.940 39 N CB 0.705 39.257 38.487 0.107 0.000 1.122 39 N HN 0.334 nan 8.380 nan 0.000 0.509 40 L N 2.629 123.903 121.223 0.084 0.000 2.290 40 L HA 0.424 4.766 4.340 0.003 0.000 0.284 40 L C 0.925 177.811 176.870 0.027 0.000 1.078 40 L CA -0.053 54.815 54.840 0.046 0.000 0.815 40 L CB 1.140 43.223 42.059 0.040 0.000 1.162 40 L HN 0.621 nan 8.230 nan 0.000 0.435 41 T N -0.528 114.033 114.554 0.012 0.000 2.916 41 T HA 0.630 4.982 4.350 0.003 0.000 0.292 41 T C -0.585 174.114 174.700 -0.002 0.000 1.064 41 T CA -0.913 61.195 62.100 0.012 0.000 1.011 41 T CB 1.786 70.668 68.868 0.025 0.000 1.152 41 T HN 0.489 nan 8.240 nan 0.000 0.510 42 E N 0.787 120.994 120.200 0.013 0.000 2.145 42 E HA 0.574 4.926 4.350 0.003 0.000 0.270 42 E C -1.532 175.084 176.600 0.027 0.000 0.906 42 E CA -0.854 55.555 56.400 0.016 0.000 0.761 42 E CB 1.326 31.048 29.700 0.037 0.000 1.116 42 E HN 0.530 nan 8.360 nan 0.000 0.408 43 V N 5.216 125.139 119.914 0.015 0.000 2.407 43 V HA 0.226 4.348 4.120 0.003 0.000 0.291 43 V C -0.514 175.636 176.094 0.094 0.000 1.018 43 V CA -0.982 61.354 62.300 0.060 0.000 0.842 43 V CB 1.601 33.464 31.823 0.066 0.000 0.996 43 V HN 0.717 nan 8.190 nan 0.000 0.426 44 D N 4.040 124.504 120.400 0.108 0.000 2.283 44 D HA 0.235 4.877 4.640 0.003 0.000 0.248 44 D C 0.442 176.833 176.300 0.152 0.000 1.072 44 D CA -0.112 53.958 54.000 0.117 0.000 0.929 44 D CB 0.598 41.450 40.800 0.088 0.000 1.182 44 D HN 0.600 nan 8.370 nan 0.000 0.433 45 N N 0.706 119.495 118.700 0.149 0.000 2.688 45 N HA -0.243 4.499 4.740 0.003 0.000 0.258 45 N C -0.966 174.657 175.510 0.188 0.000 1.016 45 N CA 0.366 53.498 53.050 0.137 0.000 0.747 45 N CB -1.188 37.347 38.487 0.081 0.000 0.895 45 N HN 0.540 nan 8.380 nan 0.000 0.543 46 W N 1.591 122.917 121.300 0.042 0.000 2.338 46 W HA 0.476 5.137 4.660 0.002 0.000 0.307 46 W C 0.513 177.064 176.519 0.053 0.000 1.167 46 W CA -1.097 56.279 57.345 0.051 0.000 1.208 46 W CB 0.505 30.008 29.460 0.071 0.000 1.228 46 W HN 0.208 nan 8.180 nan 0.000 0.499 47 M N 7.347 126.684 119.600 -0.439 0.000 2.194 47 M HA 0.403 4.885 4.480 0.003 0.000 0.347 47 M C 0.243 175.892 176.300 -1.085 0.000 1.439 47 M CA 0.370 55.353 55.300 -0.529 0.000 1.131 47 M CB 0.046 32.430 32.600 -0.360 0.000 1.733 47 M HN 0.476 nan 8.290 nan 0.000 0.467 48 G N 5.328 113.718 108.800 -0.684 0.000 2.547 48 G HA2 0.512 4.474 3.960 0.003 0.000 0.291 48 G HA3 0.512 4.474 3.960 0.003 0.000 0.291 48 G C -1.948 172.748 174.900 -0.339 0.000 1.211 48 G CA -1.159 43.571 45.100 -0.617 0.000 0.950 48 G HN 0.687 nan 8.290 nan 0.000 0.504 49 P HA -0.019 nan 4.420 nan 0.000 0.230 49 P C 0.494 177.721 177.300 -0.120 0.000 1.158 49 P CA 1.014 64.006 63.100 -0.180 0.000 0.769 49 P CB 0.281 31.877 31.700 -0.173 0.000 0.807 50 D N -1.447 118.926 120.400 -0.045 0.000 2.368 50 D HA 0.154 4.796 4.640 0.003 0.000 0.218 50 D C 1.356 177.649 176.300 -0.012 0.000 1.112 50 D CA 0.095 54.096 54.000 0.001 0.000 0.834 50 D CB -0.508 40.352 40.800 0.100 0.000 0.953 50 D HN 0.207 nan 8.370 nan 0.000 0.505 51 G N -0.553 108.211 108.800 -0.061 0.000 2.213 51 G HA2 -0.245 3.717 3.960 0.003 0.000 0.236 51 G HA3 -0.245 3.717 3.960 0.003 0.000 0.236 51 G C 0.105 174.941 174.900 -0.108 0.000 0.991 51 G CA 0.147 45.195 45.100 -0.086 0.000 0.629 51 G HN 0.366 nan 8.290 nan 0.000 0.517 52 V N 1.535 121.385 119.914 -0.107 0.000 2.509 52 V HA 0.550 4.672 4.120 0.003 0.000 0.284 52 V C 0.879 176.886 176.094 -0.146 0.000 1.047 52 V CA -0.638 61.528 62.300 -0.224 0.000 0.952 52 V CB 1.810 33.271 31.823 -0.604 0.000 0.988 52 V HN 0.232 nan 8.190 nan 0.000 0.469 53 V N 5.929 125.760 119.914 -0.137 0.000 2.461 53 V HA 0.280 4.402 4.120 0.003 0.000 0.275 53 V C 0.360 176.460 176.094 0.010 0.000 1.047 53 V CA -0.586 61.685 62.300 -0.048 0.000 0.955 53 V CB 1.091 32.888 31.823 -0.043 0.000 0.988 53 V HN 0.783 nan 8.190 nan 0.000 0.471 54 K N 3.599 124.095 120.400 0.160 0.000 2.156 54 K HA 0.276 4.598 4.320 0.003 0.000 0.271 54 K C 1.077 177.782 176.600 0.174 0.000 0.995 54 K CA -0.443 55.963 56.287 0.198 0.000 0.890 54 K CB 1.902 34.612 32.500 0.350 0.000 1.073 54 K HN 0.742 nan 8.250 nan 0.000 0.454 55 E N 2.646 122.914 120.200 0.114 0.000 2.068 55 E HA -0.244 4.108 4.350 0.003 0.000 0.207 55 E C -0.158 176.505 176.600 0.104 0.000 1.032 55 E CA 1.738 58.193 56.400 0.090 0.000 0.839 55 E CB 0.306 30.044 29.700 0.063 0.000 0.758 55 E HN 0.355 nan 8.360 nan 0.000 0.457 56 K N -0.541 119.922 120.400 0.105 0.000 2.543 56 K HA 0.297 4.619 4.320 0.003 0.000 0.255 56 K C -1.343 175.289 176.600 0.054 0.000 0.934 56 K CA -0.517 55.819 56.287 0.082 0.000 0.810 56 K CB 2.107 34.644 32.500 0.061 0.000 1.315 56 K HN 0.052 nan 8.250 nan 0.000 0.433 57 V N 0.148 120.055 119.914 -0.011 0.000 3.102 57 V HA 0.690 4.812 4.120 0.003 0.000 0.312 57 V C -0.876 175.140 176.094 -0.129 0.000 1.135 57 V CA -1.098 61.123 62.300 -0.133 0.000 1.022 57 V CB 2.082 33.644 31.823 -0.435 0.000 1.056 57 V HN 0.806 nan 8.190 nan 0.000 0.436 58 M N 3.434 122.957 119.600 -0.128 0.000 2.093 58 M HA 0.612 5.094 4.480 0.003 0.000 0.297 58 M C -1.401 174.834 176.300 -0.108 0.000 0.938 58 M CA -0.153 55.100 55.300 -0.077 0.000 0.920 58 M CB 1.759 34.355 32.600 -0.008 0.000 1.517 58 M HN 0.555 nan 8.290 nan 0.000 0.427 59 L N 4.013 125.166 121.223 -0.116 0.000 2.342 59 L HA 0.695 5.037 4.340 0.003 0.000 0.271 59 L C -0.587 176.246 176.870 -0.061 0.000 1.008 59 L CA -1.008 53.757 54.840 -0.125 0.000 0.818 59 L CB 2.374 44.333 42.059 -0.168 0.000 1.296 59 L HN 0.646 nan 8.230 nan 0.000 0.427 60 I N 2.728 123.256 120.570 -0.071 0.000 2.331 60 I HA 0.212 4.384 4.170 0.003 0.000 0.292 60 I C 0.047 176.139 176.117 -0.042 0.000 0.998 60 I CA -0.430 60.825 61.300 -0.074 0.000 1.267 60 I CB 0.819 38.687 38.000 -0.221 0.000 1.386 60 I HN 0.668 nan 8.210 nan 0.000 0.476 61 N N 4.935 123.642 118.700 0.012 0.000 2.710 61 N HA -0.216 4.526 4.740 0.003 0.000 0.249 61 N C 0.982 176.519 175.510 0.046 0.000 1.059 61 N CA 1.269 54.346 53.050 0.045 0.000 0.720 61 N CB -1.305 37.218 38.487 0.061 0.000 0.983 61 N HN 1.162 nan 8.380 nan 0.000 0.544 62 G N -1.752 107.071 108.800 0.038 0.000 2.166 62 G HA2 -0.366 3.596 3.960 0.003 0.000 0.260 62 G HA3 -0.366 3.596 3.960 0.003 0.000 0.260 62 G C 0.117 175.076 174.900 0.098 0.000 0.986 62 G CA 0.712 45.851 45.100 0.065 0.000 0.683 62 G HN 0.599 nan 8.290 nan 0.000 0.527 63 N N -1.011 117.725 118.700 0.061 0.000 2.531 63 N HA 0.513 5.255 4.740 0.003 0.000 0.290 63 N C 1.284 176.824 175.510 0.049 0.000 1.257 63 N CA -0.371 52.737 53.050 0.097 0.000 0.863 63 N CB 1.325 39.854 38.487 0.069 0.000 1.320 63 N HN 0.015 nan 8.380 nan 0.000 0.538 64 I N -0.263 120.377 120.570 0.118 0.000 2.394 64 I HA -0.005 4.167 4.170 0.003 0.000 0.251 64 I C 0.247 176.349 176.117 -0.025 0.000 1.136 64 I CA 1.256 62.591 61.300 0.059 0.000 1.425 64 I CB 0.248 38.366 38.000 0.197 0.000 1.079 64 I HN 0.359 nan 8.210 nan 0.000 0.425 65 M N -0.749 118.838 119.600 -0.022 0.000 2.644 65 M HA 0.391 4.873 4.480 0.003 0.000 0.304 65 M C 0.314 176.571 176.300 -0.072 0.000 1.215 65 M CA -0.595 54.668 55.300 -0.063 0.000 0.871 65 M CB 1.760 34.315 32.600 -0.075 0.000 1.740 65 M HN 0.021 nan 8.290 nan 0.000 0.464 66 G N 1.131 109.863 108.800 -0.114 0.000 2.683 66 G HA2 0.377 4.339 3.960 0.003 0.000 0.260 66 G HA3 0.377 4.339 3.960 0.003 0.000 0.260 66 G C -2.726 172.140 174.900 -0.057 0.000 1.238 66 G CA -0.915 44.082 45.100 -0.172 0.000 0.934 66 G HN 0.338 nan 8.290 nan 0.000 0.534 67 P HA -0.030 nan 4.420 nan 0.000 0.264 67 P C -0.326 177.042 177.300 0.113 0.000 1.179 67 P CA 0.377 63.518 63.100 0.068 0.000 0.763 67 P CB 0.262 32.039 31.700 0.128 0.000 0.806 68 N N 2.405 121.167 118.700 0.102 0.000 2.405 68 N HA 0.147 4.889 4.740 0.003 0.000 0.260 68 N C -0.005 175.561 175.510 0.092 0.000 1.152 68 N CA -0.391 52.726 53.050 0.112 0.000 0.948 68 N CB -0.010 38.536 38.487 0.099 0.000 1.111 68 N HN 0.381 nan 8.380 nan 0.000 0.485 69 I N 2.886 123.511 120.570 0.091 0.000 2.533 69 I HA 0.056 4.228 4.170 0.003 0.000 0.284 69 I C -0.197 176.023 176.117 0.172 0.000 1.109 69 I CA -0.148 61.142 61.300 -0.017 0.000 1.412 69 I CB 0.577 38.615 38.000 0.062 0.000 1.396 69 I HN 0.166 nan 8.210 nan 0.000 0.543 70 V N 6.287 126.361 119.914 0.267 0.000 2.569 70 V HA 0.827 4.949 4.120 0.003 0.000 0.301 70 V C -0.152 176.068 176.094 0.209 0.000 1.044 70 V CA -0.397 62.036 62.300 0.221 0.000 0.874 70 V CB 1.442 33.382 31.823 0.195 0.000 1.002 70 V HN 0.900 nan 8.190 nan 0.000 0.424 71 A N 4.304 127.225 122.820 0.167 0.000 2.588 71 A HA 0.843 5.165 4.320 0.003 0.000 0.290 71 A C -1.249 176.431 177.584 0.159 0.000 1.136 71 A CA -0.810 51.306 52.037 0.132 0.000 0.681 71 A CB 1.632 20.676 19.000 0.073 0.000 1.282 71 A HN 0.620 nan 8.150 nan 0.000 0.421 72 N N -0.093 118.712 118.700 0.176 0.000 2.489 72 N HA 0.271 5.013 4.740 0.003 0.000 0.284 72 N C -0.636 175.023 175.510 0.248 0.000 1.158 72 N CA -0.249 52.959 53.050 0.265 0.000 0.965 72 N CB 0.637 39.351 38.487 0.378 0.000 1.195 72 N HN 0.709 nan 8.380 nan 0.000 0.506 73 W N 1.507 122.780 121.300 -0.045 0.000 2.476 73 W HA 0.173 4.835 4.660 0.003 0.000 0.338 73 W C 1.171 177.663 176.519 -0.045 0.000 1.328 73 W CA 1.151 58.437 57.345 -0.099 0.000 1.300 73 W CB -0.959 28.277 29.460 -0.374 0.000 1.252 73 W HN 0.836 nan 8.180 nan 0.000 0.568 74 G N 3.364 112.267 108.800 0.171 0.000 2.234 74 G HA2 -0.283 3.679 3.960 0.003 0.000 0.235 74 G HA3 -0.283 3.679 3.960 0.003 0.000 0.235 74 G C 0.292 175.184 174.900 -0.013 0.000 0.997 74 G CA 0.001 45.069 45.100 -0.054 0.000 0.623 74 G HN 0.536 nan 8.290 nan 0.000 0.514 75 D N 1.071 121.487 120.400 0.027 0.000 2.364 75 D HA 0.472 5.114 4.640 0.003 0.000 0.236 75 D C 0.646 176.904 176.300 -0.070 0.000 1.221 75 D CA 0.914 54.901 54.000 -0.021 0.000 0.891 75 D CB 0.488 41.284 40.800 -0.007 0.000 1.190 75 D HN 0.118 nan 8.370 nan 0.000 0.449 76 T N 0.447 114.917 114.554 -0.138 0.000 2.794 76 T HA 0.423 4.775 4.350 0.003 0.000 0.280 76 T C -0.269 174.197 174.700 -0.389 0.000 0.987 76 T CA -0.645 61.311 62.100 -0.239 0.000 0.993 76 T CB 1.156 69.907 68.868 -0.195 0.000 0.939 76 T HN -0.042 nan 8.240 nan 0.000 0.449 77 V N 3.681 123.148 119.914 -0.746 0.000 2.394 77 V HA 0.465 4.587 4.120 0.003 0.000 0.282 77 V C 0.153 175.695 176.094 -0.920 0.000 1.031 77 V CA -0.604 61.128 62.300 -0.946 0.000 0.881 77 V CB 1.405 32.190 31.823 -1.731 0.000 0.982 77 V HN 0.856 nan 8.190 nan 0.000 0.451 78 E N 3.732 123.617 120.200 -0.524 0.000 2.234 78 E HA 0.700 5.052 4.350 0.003 0.000 0.266 78 E C -1.913 174.531 176.600 -0.260 0.000 0.877 78 E CA -0.501 55.670 56.400 -0.381 0.000 0.758 78 E CB 2.230 31.779 29.700 -0.252 0.000 1.170 78 E HN 0.460 nan 8.360 nan 0.000 0.415 79 V N 3.635 123.412 119.914 -0.229 0.000 2.524 79 V HA 0.261 4.383 4.120 0.003 0.000 0.297 79 V C -0.395 175.652 176.094 -0.078 0.000 1.035 79 V CA -0.818 61.346 62.300 -0.227 0.000 0.867 79 V CB 1.890 33.412 31.823 -0.501 0.000 1.004 79 V HN 0.744 nan 8.190 nan 0.000 0.426 80 T N 4.704 119.221 114.554 -0.062 0.000 2.729 80 T HA 0.422 4.774 4.350 0.003 0.000 0.296 80 T C -0.021 174.705 174.700 0.043 0.000 0.928 80 T CA -0.142 61.962 62.100 0.007 0.000 1.045 80 T CB 1.045 69.919 68.868 0.009 0.000 0.902 80 T HN 0.370 nan 8.240 nan 0.000 0.500 81 V N 5.955 125.935 119.914 0.111 0.000 2.370 81 V HA 0.426 4.548 4.120 0.003 0.000 0.279 81 V C 0.132 176.299 176.094 0.123 0.000 1.029 81 V CA -0.720 61.686 62.300 0.177 0.000 0.870 81 V CB 0.947 32.945 31.823 0.291 0.000 0.984 81 V HN 0.788 nan 8.190 nan 0.000 0.451 82 I N 4.492 125.137 120.570 0.126 0.000 2.355 82 I HA 0.342 4.514 4.170 0.003 0.000 0.288 82 I C 0.016 176.170 176.117 0.062 0.000 0.999 82 I CA -0.405 60.941 61.300 0.075 0.000 1.163 82 I CB 1.451 39.494 38.000 0.071 0.000 1.316 82 I HN 0.504 nan 8.210 nan 0.000 0.454 83 N N 6.226 124.939 118.700 0.022 0.000 2.521 83 N HA 0.148 4.890 4.740 0.003 0.000 0.236 83 N C -0.132 175.365 175.510 -0.021 0.000 1.067 83 N CA 0.011 53.054 53.050 -0.011 0.000 0.939 83 N CB 0.305 38.754 38.487 -0.064 0.000 1.201 83 N HN 0.421 nan 8.380 nan 0.000 0.511 84 N N 3.433 122.132 118.700 -0.002 0.000 2.279 84 N HA 0.132 4.874 4.740 0.003 0.000 0.226 84 N C 0.064 175.573 175.510 -0.002 0.000 1.126 84 N CA -0.105 52.945 53.050 -0.000 0.000 0.846 84 N CB 0.528 39.026 38.487 0.019 0.000 1.050 84 N HN 0.480 nan 8.380 nan 0.000 0.502 85 L N -0.142 121.069 121.223 -0.020 0.000 2.474 85 L HA 0.087 4.429 4.340 0.003 0.000 0.259 85 L C 1.902 178.773 176.870 0.002 0.000 1.232 85 L CA -0.314 54.521 54.840 -0.008 0.000 0.821 85 L CB 0.531 42.572 42.059 -0.029 0.000 1.108 85 L HN -0.147 nan 8.230 nan 0.000 0.495 86 V N -0.526 119.414 119.914 0.043 0.000 2.300 86 V HA -0.153 3.969 4.120 0.003 0.000 0.241 86 V C 2.001 178.149 176.094 0.090 0.000 1.034 86 V CA 2.218 64.558 62.300 0.067 0.000 1.021 86 V CB -0.487 31.393 31.823 0.095 0.000 0.662 86 V HN 1.087 nan 8.190 nan 0.000 0.458 87 T N -3.839 110.808 114.554 0.156 0.000 2.999 87 T HA 0.152 4.504 4.350 0.003 0.000 0.247 87 T C 0.720 175.571 174.700 0.252 0.000 1.012 87 T CA -0.117 62.136 62.100 0.256 0.000 1.048 87 T CB -0.391 68.702 68.868 0.376 0.000 1.020 87 T HN 0.363 nan 8.240 nan 0.000 0.478 88 N N 1.657 120.440 118.700 0.138 0.000 2.518 88 N HA 0.437 5.179 4.740 0.003 0.000 0.266 88 N C 0.472 175.741 175.510 -0.401 0.000 1.196 88 N CA -0.300 52.724 53.050 -0.043 0.000 0.947 88 N CB 0.924 39.346 38.487 -0.109 0.000 1.098 88 N HN 0.494 nan 8.380 nan 0.000 0.450 89 G N 0.187 108.477 108.800 -0.849 0.000 2.653 89 G HA2 0.285 4.247 3.960 0.003 0.000 0.265 89 G HA3 0.285 4.247 3.960 0.003 0.000 0.265 89 G C -0.304 173.788 174.900 -1.347 0.000 1.237 89 G CA 0.079 44.592 45.100 -0.978 0.000 0.946 89 G HN 0.417 nan 8.290 nan 0.000 0.522 90 T N -1.780 112.319 114.554 -0.758 0.000 2.853 90 T HA 0.610 4.962 4.350 0.003 0.000 0.311 90 T C -0.972 173.613 174.700 -0.192 0.000 1.307 90 T CA -0.010 61.837 62.100 -0.421 0.000 1.019 90 T CB 1.436 70.177 68.868 -0.212 0.000 1.264 90 T HN 1.424 nan 8.240 nan 0.000 0.497 91 S N 3.035 118.718 115.700 -0.027 0.000 2.603 91 S HA 0.629 5.101 4.470 0.003 0.000 0.274 91 S C -1.393 173.214 174.600 0.012 0.000 1.168 91 S CA -0.927 57.314 58.200 0.069 0.000 0.963 91 S CB 0.893 64.131 63.200 0.063 0.000 1.078 91 S HN 0.591 nan 8.310 nan 0.000 0.477 92 I N 4.033 124.531 120.570 -0.120 0.000 2.321 92 I HA 0.373 4.545 4.170 0.003 0.000 0.291 92 I C 0.145 175.686 176.117 -0.960 0.000 0.998 92 I CA -0.247 60.708 61.300 -0.577 0.000 1.227 92 I CB 0.706 38.230 38.000 -0.794 0.000 1.368 92 I HN 0.940 nan 8.210 nan 0.000 0.466 93 H N 6.341 124.829 119.070 -0.971 0.000 2.473 93 H HA 0.379 4.937 4.556 0.003 0.000 0.327 93 H C -1.407 173.185 175.328 -1.227 0.000 1.105 93 H CA -0.562 54.927 56.048 -0.931 0.000 1.280 93 H CB 0.776 30.212 29.762 -0.542 0.000 1.450 93 H HN 0.393 nan 8.280 nan 0.000 0.492 94 W N 5.339 126.091 121.300 -0.914 0.000 2.289 94 W HA 0.200 4.863 4.660 0.004 0.000 0.342 94 W C -0.098 175.773 176.519 -1.079 0.000 0.958 94 W CA -0.881 55.949 57.345 -0.858 0.000 1.492 94 W CB -0.340 28.568 29.460 -0.920 0.000 1.336 94 W HN 0.674 nan 8.180 nan 0.000 0.371 95 H N 1.825 120.234 119.070 -1.101 0.000 2.878 95 H HA 0.417 4.975 4.556 0.003 0.000 0.290 95 H C 1.389 176.440 175.328 -0.463 0.000 1.065 95 H CA 1.222 56.716 56.048 -0.923 0.000 1.477 95 H CB 0.473 29.533 29.762 -1.169 0.000 1.484 95 H HN 0.776 nan 8.280 nan 0.000 0.504 96 G N 4.702 113.386 108.800 -0.193 0.000 2.232 96 G HA2 -0.239 3.723 3.960 0.003 0.000 0.226 96 G HA3 -0.239 3.723 3.960 0.003 0.000 0.226 96 G C 0.007 174.778 174.900 -0.215 0.000 0.996 96 G CA 0.109 45.152 45.100 -0.094 0.000 0.626 96 G HN 0.491 nan 8.290 nan 0.000 0.509 100 K N 2.223 122.657 120.400 0.056 0.000 2.395 100 K HA -0.001 4.321 4.320 0.003 0.000 0.283 100 K C 0.145 176.816 176.600 0.118 0.000 1.068 100 K CA 0.685 57.008 56.287 0.060 0.000 1.039 100 K CB 0.130 32.649 32.500 0.033 0.000 0.924 100 K HN 0.193 nan 8.250 nan 0.000 0.468 101 D N 2.337 122.835 120.400 0.163 0.000 2.983 101 D HA -0.171 4.471 4.640 0.003 0.000 0.225 101 D C -0.452 175.936 176.300 0.147 0.000 1.174 101 D CA 1.705 55.792 54.000 0.146 0.000 0.831 101 D CB -1.328 39.530 40.800 0.097 0.000 1.104 101 D HN 0.721 nan 8.370 nan 0.000 0.421 102 T N -3.127 111.549 114.554 0.203 0.000 3.533 102 T HA 0.161 4.513 4.350 0.003 0.000 0.275 102 T C 0.920 175.798 174.700 0.295 0.000 1.000 102 T CA -0.279 61.957 62.100 0.227 0.000 1.015 102 T CB 0.273 69.242 68.868 0.168 0.000 1.153 102 T HN 0.151 nan 8.240 nan 0.000 0.504 103 N N 0.748 119.561 118.700 0.189 0.000 2.132 103 N HA -0.139 4.603 4.740 0.003 0.000 0.191 103 N C 1.150 176.677 175.510 0.029 0.000 1.015 103 N CA 1.130 54.151 53.050 -0.049 0.000 0.864 103 N CB -0.122 38.129 38.487 -0.392 0.000 1.006 103 N HN 0.339 nan 8.380 nan 0.000 0.430 104 L N 0.559 121.831 121.223 0.082 0.000 2.549 104 L HA -0.059 4.283 4.340 0.003 0.000 0.229 104 L C 1.517 178.422 176.870 0.059 0.000 1.158 104 L CA 1.019 55.892 54.840 0.055 0.000 0.842 104 L CB -0.524 41.536 42.059 0.002 0.000 0.952 104 L HN 0.311 nan 8.230 nan 0.000 0.452 105 H N -2.472 116.750 119.070 0.254 0.000 2.551 105 H HA 0.054 4.612 4.556 0.004 0.000 0.271 105 H C 1.072 176.743 175.328 0.572 0.000 0.984 105 H CA 0.250 56.561 56.048 0.440 0.000 1.164 105 H CB 0.458 30.449 29.762 0.382 0.000 1.437 105 H HN 0.305 nan 8.280 nan 0.000 0.550 106 D N 0.499 121.197 120.400 0.496 0.000 2.219 106 D HA -0.065 4.577 4.640 0.003 0.000 0.205 106 D C 1.784 178.367 176.300 0.471 0.000 0.970 106 D CA 1.265 55.569 54.000 0.508 0.000 0.851 106 D CB 0.051 41.126 40.800 0.459 0.000 0.943 106 D HN 0.527 nan 8.370 nan 0.000 0.488 107 G N -0.829 108.216 108.800 0.408 0.000 2.136 107 G HA2 -0.190 3.772 3.960 0.003 0.000 0.242 107 G HA3 -0.190 3.772 3.960 0.003 0.000 0.242 107 G C 0.321 175.304 174.900 0.139 0.000 0.989 107 G CA 0.300 45.573 45.100 0.289 0.000 0.682 107 G HN 0.690 nan 8.290 nan 0.000 0.522 108 A N 1.043 123.905 122.820 0.070 0.000 2.506 108 A HA 0.589 4.911 4.320 0.003 0.000 0.320 108 A C 0.734 178.267 177.584 -0.085 0.000 1.424 108 A CA 0.084 52.036 52.037 -0.143 0.000 1.044 108 A CB -0.406 18.435 19.000 -0.264 0.000 1.140 108 A HN 0.878 nan 8.150 nan 0.000 0.538 109 N N 1.649 120.326 118.700 -0.039 0.000 2.492 109 N HA 0.323 5.065 4.740 0.003 0.000 0.260 109 N C 0.986 176.548 175.510 0.087 0.000 1.215 109 N CA 0.187 53.240 53.050 0.006 0.000 0.923 109 N CB 0.691 39.136 38.487 -0.069 0.000 1.092 109 N HN 0.961 nan 8.380 nan 0.000 0.448 110 G N -0.032 108.839 108.800 0.118 0.000 2.234 110 G HA2 -0.313 3.649 3.960 0.003 0.000 0.260 110 G HA3 -0.313 3.649 3.960 0.003 0.000 0.260 110 G C 0.486 175.402 174.900 0.025 0.000 0.987 110 G CA 0.575 45.730 45.100 0.093 0.000 0.625 110 G HN 0.516 nan 8.290 nan 0.000 0.532 111 V N 0.061 119.967 119.914 -0.013 0.000 3.001 111 V HA 0.211 4.333 4.120 0.003 0.000 0.228 111 V C 2.440 178.526 176.094 -0.014 0.000 1.204 111 V CA 2.522 64.779 62.300 -0.072 0.000 1.247 111 V CB 0.195 31.909 31.823 -0.181 0.000 1.093 111 V HN 0.778 nan 8.190 nan 0.000 0.504 112 T N -1.074 113.490 114.554 0.016 0.000 3.023 112 T HA 0.317 4.669 4.350 0.003 0.000 0.253 112 T C 0.251 175.112 174.700 0.267 0.000 1.038 112 T CA 0.233 62.367 62.100 0.057 0.000 0.962 112 T CB 0.008 68.882 68.868 0.010 0.000 1.018 112 T HN 0.730 nan 8.240 nan 0.000 0.521 113 E N -0.716 119.642 120.200 0.263 0.000 2.401 113 E HA 0.481 4.833 4.350 0.003 0.000 0.280 113 E C -1.488 175.072 176.600 -0.067 0.000 1.039 113 E CA -1.190 55.295 56.400 0.142 0.000 0.814 113 E CB 0.506 30.238 29.700 0.054 0.000 1.275 113 E HN 0.066 nan 8.360 nan 0.000 0.448 114 c N 1.670 120.095 118.600 -0.292 0.000 2.595 114 c HA 0.433 5.005 4.570 0.003 0.000 0.384 114 c C -2.031 171.786 174.090 -0.456 0.000 1.289 114 c CA -0.829 55.295 56.329 -0.343 0.000 2.372 114 c CB -0.346 42.002 42.510 -0.269 0.000 2.593 114 c HN 0.610 nan 8.230 nan 0.000 0.639 115 P HA 0.182 nan 4.420 nan 0.000 0.269 115 P C -0.627 176.345 177.300 -0.547 0.000 1.209 115 P CA 0.149 62.712 63.100 -0.895 0.000 0.776 115 P CB 0.214 30.925 31.700 -1.648 0.000 0.876 116 I N 4.936 125.315 120.570 -0.319 0.000 2.517 116 I HA 0.118 4.290 4.170 0.003 0.000 0.285 116 I C -1.671 174.394 176.117 -0.086 0.000 1.106 116 I CA -1.855 59.365 61.300 -0.134 0.000 1.402 116 I CB 0.264 38.213 38.000 -0.085 0.000 1.399 116 I HN 0.218 nan 8.210 nan 0.000 0.535 117 P HA 0.167 nan 4.420 nan 0.000 0.272 117 P C -2.569 174.629 177.300 -0.171 0.000 1.230 117 P CA -1.330 61.801 63.100 0.051 0.000 0.788 117 P CB -0.051 31.676 31.700 0.044 0.000 0.949 118 P HA 0.076 nan 4.420 nan 0.000 0.289 118 P C -0.242 176.944 177.300 -0.190 0.000 1.299 118 P CA -0.092 62.853 63.100 -0.257 0.000 0.766 118 P CB 0.290 31.818 31.700 -0.285 0.000 1.226 119 K N -1.361 118.982 120.400 -0.095 0.000 3.192 119 K HA -0.178 4.144 4.320 0.003 0.000 0.278 119 K C 0.868 177.452 176.600 -0.027 0.000 1.164 119 K CA 1.064 57.326 56.287 -0.042 0.000 0.816 119 K CB -2.596 29.889 32.500 -0.026 0.000 1.256 119 K HN 1.050 nan 8.250 nan 0.000 0.497 120 G N -1.412 107.372 108.800 -0.027 0.000 2.192 120 G HA2 -0.169 3.793 3.960 0.003 0.000 0.193 120 G HA3 -0.169 3.793 3.960 0.003 0.000 0.193 120 G C 0.433 175.327 174.900 -0.010 0.000 0.999 120 G CA 0.209 45.304 45.100 -0.009 0.000 0.659 120 G HN 0.759 nan 8.290 nan 0.000 0.503 121 G N -0.019 108.765 108.800 -0.027 0.000 2.544 121 G HA2 0.580 4.542 3.960 0.003 0.000 0.242 121 G HA3 0.580 4.542 3.960 0.003 0.000 0.242 121 G C 0.041 174.935 174.900 -0.010 0.000 1.247 121 G CA 0.928 46.018 45.100 -0.017 0.000 0.840 121 G HN 1.245 nan 8.290 nan 0.000 0.578 122 Q N -0.146 119.648 119.800 -0.010 0.000 2.462 122 Q HA 0.737 5.079 4.340 0.003 0.000 0.285 122 Q C -1.231 174.747 176.000 -0.037 0.000 1.035 122 Q CA -1.246 54.553 55.803 -0.007 0.000 0.799 122 Q CB 2.361 31.101 28.738 0.004 0.000 1.452 122 Q HN 0.535 nan 8.270 nan 0.000 0.404 123 R N 0.840 121.310 120.500 -0.050 0.000 2.594 123 R HA 0.402 4.744 4.340 0.003 0.000 0.265 123 R C -1.699 174.525 176.300 -0.127 0.000 1.070 123 R CA -0.275 55.743 56.100 -0.136 0.000 0.909 123 R CB 2.716 32.855 30.300 -0.269 0.000 1.243 123 R HN 0.888 nan 8.270 nan 0.000 0.455 124 T N 3.927 118.401 114.554 -0.132 0.000 2.758 124 T HA 0.421 4.773 4.350 0.003 0.000 0.285 124 T C -0.890 173.779 174.700 -0.053 0.000 0.981 124 T CA -0.178 61.889 62.100 -0.055 0.000 0.965 124 T CB 0.274 69.127 68.868 -0.025 0.000 0.927 124 T HN 0.260 nan 8.240 nan 0.000 0.448 125 Y N 2.199 122.554 120.300 0.091 0.000 2.310 125 Y HA 0.559 5.111 4.550 0.003 0.000 0.326 125 Y C 0.917 176.836 175.900 0.030 0.000 1.151 125 Y CA -0.694 57.545 58.100 0.232 0.000 1.195 125 Y CB 1.032 39.664 38.460 0.287 0.000 1.210 125 Y HN 0.342 nan 8.280 nan 0.000 0.483 126 R N 4.971 125.597 120.500 0.209 0.000 2.515 126 R HA 0.324 4.666 4.340 0.003 0.000 0.291 126 R C -2.072 174.037 176.300 -0.318 0.000 1.046 126 R CA -0.581 55.376 56.100 -0.238 0.000 0.914 126 R CB 1.193 31.381 30.300 -0.187 0.000 1.191 126 R HN 0.903 nan 8.270 nan 0.000 0.435 127 W N 3.001 124.112 121.300 -0.314 0.000 3.127 127 W HA 0.475 5.137 4.660 0.003 0.000 0.330 127 W C -1.387 175.029 176.519 -0.172 0.000 1.187 127 W CA -1.209 55.979 57.345 -0.261 0.000 1.198 127 W CB 0.669 29.969 29.460 -0.267 0.000 1.408 127 W HN 0.390 nan 8.180 nan 0.000 0.529 128 R N 2.179 122.791 120.500 0.186 0.000 2.308 128 R HA 0.513 4.855 4.340 0.003 0.000 0.305 128 R C -0.123 176.356 176.300 0.298 0.000 1.053 128 R CA -0.018 56.164 56.100 0.136 0.000 0.957 128 R CB 1.117 31.470 30.300 0.087 0.000 1.022 128 R HN 0.545 nan 8.270 nan 0.000 0.461 129 A N 5.549 128.514 122.820 0.242 0.000 2.807 129 A HA 0.228 4.550 4.320 0.003 0.000 0.307 129 A C 0.153 177.922 177.584 0.310 0.000 1.532 129 A CA -0.358 51.877 52.037 0.329 0.000 1.215 129 A CB -0.164 18.994 19.000 0.264 0.000 1.127 129 A HN 0.911 nan 8.150 nan 0.000 0.543 130 R N 0.462 121.121 120.500 0.265 0.000 2.388 130 R HA 0.150 4.492 4.340 0.003 0.000 0.247 130 R C 0.080 176.527 176.300 0.245 0.000 0.931 130 R CA 0.212 56.501 56.100 0.315 0.000 1.082 130 R CB 0.337 30.770 30.300 0.222 0.000 1.135 130 R HN 0.805 nan 8.270 nan 0.000 0.525 131 Q N 0.380 120.192 119.800 0.021 0.000 2.309 131 Q HA 0.221 4.563 4.340 0.003 0.000 0.273 131 Q C -1.738 174.000 176.000 -0.436 0.000 1.040 131 Q CA -0.977 54.594 55.803 -0.387 0.000 0.834 131 Q CB 1.559 30.088 28.738 -0.348 0.000 1.345 131 Q HN 0.140 nan 8.270 nan 0.000 0.414 132 Y N 1.083 120.951 120.300 -0.720 0.000 2.420 132 Y HA 0.989 5.541 4.550 0.003 0.000 0.334 132 Y C 0.487 176.129 175.900 -0.430 0.000 1.094 132 Y CA -0.085 57.678 58.100 -0.562 0.000 1.126 132 Y CB 1.650 39.638 38.460 -0.786 0.000 1.217 132 Y HN 0.775 nan 8.280 nan 0.000 0.462 133 G N 0.525 109.223 108.800 -0.170 0.000 2.302 133 G HA2 0.274 4.236 3.960 0.003 0.000 0.264 133 G HA3 0.274 4.236 3.960 0.003 0.000 0.264 133 G C -1.523 173.327 174.900 -0.084 0.000 1.335 133 G CA -0.710 44.293 45.100 -0.162 0.000 0.982 133 G HN 0.729 nan 8.290 nan 0.000 0.473 134 T N 1.107 115.608 114.554 -0.089 0.000 2.770 134 T HA 0.787 5.139 4.350 0.003 0.000 0.283 134 T C -0.043 174.633 174.700 -0.041 0.000 0.988 134 T CA 0.072 62.144 62.100 -0.046 0.000 0.957 134 T CB 1.423 70.258 68.868 -0.056 0.000 0.930 134 T HN 0.731 nan 8.240 nan 0.000 0.443 135 S N 1.968 117.681 115.700 0.022 0.000 2.900 135 S HA 0.853 5.325 4.470 0.003 0.000 0.320 135 S C -1.514 173.206 174.600 0.201 0.000 1.130 135 S CA -0.961 57.292 58.200 0.088 0.000 0.863 135 S CB 1.454 64.672 63.200 0.030 0.000 1.295 135 S HN 0.817 nan 8.310 nan 0.000 0.596 136 W N 0.626 121.830 121.300 -0.159 0.000 3.025 136 W HA 0.673 5.335 4.660 0.003 0.000 0.343 136 W C -2.436 173.993 176.519 -0.150 0.000 1.246 136 W CA -1.264 55.952 57.345 -0.214 0.000 1.178 136 W CB -0.109 29.142 29.460 -0.350 0.000 1.463 136 W HN 0.756 nan 8.180 nan 0.000 0.578 137 Y N -0.050 120.158 120.300 -0.153 0.000 2.576 137 Y HA 0.820 5.372 4.550 0.003 0.000 0.346 137 Y C -0.864 174.744 175.900 -0.487 0.000 1.018 137 Y CA -1.427 56.341 58.100 -0.554 0.000 1.050 137 Y CB 1.733 39.910 38.460 -0.473 0.000 1.280 137 Y HN 0.725 nan 8.280 nan 0.000 0.474 138 H N -1.933 116.842 119.070 -0.491 0.000 3.060 138 H HA 0.472 5.030 4.556 0.003 0.000 0.330 138 H C -1.085 174.088 175.328 -0.258 0.000 1.305 138 H CA -0.989 54.812 56.048 -0.411 0.000 1.209 138 H CB 0.851 30.098 29.762 -0.859 0.000 1.913 138 H HN 0.815 nan 8.280 nan 0.000 0.534 139 S N 0.084 115.835 115.700 0.084 0.000 2.558 139 S HA -0.074 4.398 4.470 0.003 0.000 0.287 139 S C 0.212 174.954 174.600 0.235 0.000 1.321 139 S CA 0.003 58.286 58.200 0.140 0.000 1.048 139 S CB 0.003 63.333 63.200 0.218 0.000 0.844 139 S HN 0.815 nan 8.310 nan 0.000 0.512 140 H N 3.090 122.250 119.070 0.150 0.000 2.674 140 H HA 0.238 4.796 4.556 0.003 0.000 0.274 140 H C -0.741 174.696 175.328 0.183 0.000 1.121 140 H CA -0.411 55.734 56.048 0.161 0.000 1.132 140 H CB -0.118 29.669 29.762 0.042 0.000 1.606 140 H HN 0.586 nan 8.280 nan 0.000 0.558 141 F N 2.038 122.081 119.950 0.154 0.000 2.439 141 F HA 0.201 4.729 4.527 0.002 0.000 0.356 141 F C 1.052 176.980 175.800 0.213 0.000 1.161 141 F CA 0.192 58.236 58.000 0.073 0.000 1.151 141 F CB -0.036 38.889 39.000 -0.126 0.000 1.222 141 F HN 0.077 nan 8.300 nan 0.000 0.558 142 S N 2.906 118.655 115.700 0.081 0.000 4.046 142 S HA -0.351 4.121 4.470 0.003 0.000 0.572 142 S C 0.944 175.631 174.600 0.145 0.000 2.022 142 S CA 1.330 59.599 58.200 0.114 0.000 4.201 142 S CB -1.416 61.836 63.200 0.087 0.000 0.438 142 S HN 1.077 nan 8.310 nan 0.000 0.618 143 A N 0.695 123.593 122.820 0.130 0.000 2.545 143 A HA 0.366 4.688 4.320 0.003 0.000 0.277 143 A C 1.472 179.079 177.584 0.039 0.000 1.301 143 A CA 0.844 52.903 52.037 0.036 0.000 0.935 143 A CB -0.245 18.810 19.000 0.092 0.000 1.093 143 A HN 0.579 nan 8.150 nan 0.000 0.519 144 Q N -0.429 119.477 119.800 0.176 0.000 2.234 144 Q HA -0.250 4.092 4.340 0.003 0.000 0.206 144 Q C 1.606 177.703 176.000 0.162 0.000 0.980 144 Q CA 2.253 58.177 55.803 0.201 0.000 0.869 144 Q CB -0.366 28.556 28.738 0.307 0.000 0.912 144 Q HN 0.967 nan 8.270 nan 0.000 0.436 145 Y N -2.082 118.272 120.300 0.089 0.000 2.403 145 Y HA 0.086 4.639 4.550 0.004 0.000 0.291 145 Y C 1.787 177.723 175.900 0.060 0.000 1.143 145 Y CA 1.081 59.220 58.100 0.065 0.000 1.257 145 Y CB -0.946 37.547 38.460 0.055 0.000 0.984 145 Y HN 0.010 nan 8.280 nan 0.000 0.550 146 G N 0.654 109.312 108.800 -0.238 0.000 2.559 146 G HA2 -0.231 3.731 3.960 0.003 0.000 0.216 146 G HA3 -0.231 3.731 3.960 0.003 0.000 0.216 146 G C 1.226 176.150 174.900 0.039 0.000 1.126 146 G CA 0.702 45.718 45.100 -0.141 0.000 0.778 146 G HN 0.428 nan 8.290 nan 0.000 0.543 147 N N 0.143 118.872 118.700 0.049 0.000 2.353 147 N HA 0.146 4.888 4.740 0.003 0.000 0.185 147 N C 1.635 177.140 175.510 -0.009 0.000 1.098 147 N CA 0.943 54.016 53.050 0.037 0.000 0.872 147 N CB 0.710 39.220 38.487 0.040 0.000 0.970 147 N HN 0.417 nan 8.380 nan 0.000 0.467 148 G N -0.840 107.979 108.800 0.030 0.000 2.318 148 G HA2 -0.209 3.753 3.960 0.003 0.000 0.172 148 G HA3 -0.209 3.753 3.960 0.003 0.000 0.172 148 G C -0.181 174.728 174.900 0.014 0.000 1.002 148 G CA -0.243 44.848 45.100 -0.016 0.000 0.697 148 G HN 0.101 nan 8.290 nan 0.000 0.483 149 V N 1.585 121.543 119.914 0.074 0.000 2.242 149 V HA 0.579 4.701 4.120 0.003 0.000 0.242 149 V C 0.378 176.542 176.094 0.116 0.000 1.240 149 V CA 0.185 62.535 62.300 0.085 0.000 1.211 149 V CB 0.437 32.326 31.823 0.110 0.000 1.338 149 V HN 0.662 nan 8.190 nan 0.000 0.499 150 V N 2.841 122.773 119.914 0.029 0.000 3.077 150 V HA 0.997 5.119 4.120 0.003 0.000 0.299 150 V C -0.076 175.807 176.094 -0.352 0.000 1.276 150 V CA 0.480 62.735 62.300 -0.075 0.000 0.993 150 V CB 2.424 34.304 31.823 0.096 0.000 1.076 150 V HN 0.795 nan 8.190 nan 0.000 0.434 151 G N 2.198 110.472 108.800 -0.876 0.000 2.550 151 G HA2 0.704 4.666 3.960 0.003 0.000 0.293 151 G HA3 0.704 4.666 3.960 0.003 0.000 0.293 151 G C -0.699 173.724 174.900 -0.795 0.000 1.402 151 G CA 0.177 44.690 45.100 -0.978 0.000 0.784 151 G HN 1.310 nan 8.290 nan 0.000 0.482 152 T N -2.118 112.264 114.554 -0.286 0.000 2.950 152 T HA 0.809 5.161 4.350 0.003 0.000 0.288 152 T C -0.468 174.347 174.700 0.192 0.000 1.035 152 T CA -0.736 61.346 62.100 -0.030 0.000 1.028 152 T CB 1.757 70.616 68.868 -0.016 0.000 1.109 152 T HN 0.555 nan 8.240 nan 0.000 0.514 153 I N 1.015 121.705 120.570 0.199 0.000 2.499 153 I HA 0.402 4.574 4.170 0.003 0.000 0.288 153 I C -0.623 175.587 176.117 0.155 0.000 1.048 153 I CA -0.747 60.703 61.300 0.250 0.000 1.062 153 I CB 2.328 40.519 38.000 0.317 0.000 1.238 153 I HN 0.692 nan 8.210 nan 0.000 0.426 154 Q N 6.740 126.631 119.800 0.153 0.000 2.363 154 Q HA 0.464 4.806 4.340 0.003 0.000 0.265 154 Q C -1.583 174.494 176.000 0.128 0.000 1.032 154 Q CA -0.642 55.229 55.803 0.112 0.000 0.746 154 Q CB 1.419 30.217 28.738 0.101 0.000 1.237 154 Q HN 0.497 nan 8.270 nan 0.000 0.475 155 I N 3.951 124.582 120.570 0.101 0.000 2.306 155 I HA 0.274 4.446 4.170 0.003 0.000 0.288 155 I C 0.022 176.167 176.117 0.046 0.000 1.036 155 I CA -0.575 60.787 61.300 0.103 0.000 1.221 155 I CB 0.596 38.659 38.000 0.105 0.000 1.385 155 I HN 0.632 nan 8.210 nan 0.000 0.472 156 N N 4.331 123.069 118.700 0.064 0.000 2.444 156 N HA 0.593 5.335 4.740 0.003 0.000 0.255 156 N C 0.500 175.737 175.510 -0.454 0.000 1.255 156 N CA 0.217 53.262 53.050 -0.007 0.000 0.933 156 N CB 1.912 40.531 38.487 0.219 0.000 1.143 156 N HN 0.869 nan 8.380 nan 0.000 0.453 157 G N 0.031 108.327 108.800 -0.840 0.000 2.325 157 G HA2 0.253 4.215 3.960 0.003 0.000 0.295 157 G HA3 0.253 4.215 3.960 0.003 0.000 0.295 157 G C -3.169 171.183 174.900 -0.914 0.000 1.274 157 G CA -0.580 43.457 45.100 -1.772 0.000 0.857 157 G HN 0.331 nan 8.290 nan 0.000 0.499 158 P HA 0.606 nan 4.420 nan 0.000 0.279 158 P C -0.400 176.872 177.300 -0.047 0.000 1.282 158 P CA 0.216 63.206 63.100 -0.182 0.000 0.788 158 P CB 1.687 33.332 31.700 -0.091 0.000 1.139 159 A N -0.524 122.367 122.820 0.118 0.000 2.609 159 A HA 0.491 4.813 4.320 0.003 0.000 0.291 159 A C 0.584 178.269 177.584 0.168 0.000 1.096 159 A CA -0.110 52.040 52.037 0.188 0.000 0.684 159 A CB 0.418 19.615 19.000 0.328 0.000 1.282 159 A HN 0.446 nan 8.150 nan 0.000 0.412 160 S N -0.379 115.411 115.700 0.150 0.000 2.575 160 S HA 0.461 4.933 4.470 0.003 0.000 0.215 160 S C 0.261 174.932 174.600 0.117 0.000 0.966 160 S CA 0.167 58.440 58.200 0.122 0.000 0.911 160 S CB -0.519 62.741 63.200 0.100 0.000 0.780 160 S HN 0.524 nan 8.310 nan 0.000 0.514 161 L N 1.411 122.726 121.223 0.154 0.000 2.415 161 L HA 0.553 4.895 4.340 0.003 0.000 0.256 161 L C -2.742 174.248 176.870 0.200 0.000 1.010 161 L CA -2.641 52.290 54.840 0.152 0.000 0.826 161 L CB 2.663 44.807 42.059 0.142 0.000 1.405 161 L HN -0.091 nan 8.230 nan 0.000 0.410 162 P HA 0.251 nan 4.420 nan 0.000 0.274 162 P C -1.817 175.573 177.300 0.150 0.000 1.231 162 P CA 0.136 63.266 63.100 0.051 0.000 0.790 162 P CB 0.687 32.394 31.700 0.012 0.000 0.951 163 Y N -1.882 118.422 120.300 0.007 0.000 2.662 163 Y HA 0.379 4.931 4.550 0.003 0.000 0.334 163 Y C -0.016 175.863 175.900 -0.036 0.000 1.185 163 Y CA -0.892 57.198 58.100 -0.017 0.000 1.074 163 Y CB -0.038 38.419 38.460 -0.004 0.000 1.330 163 Y HN 0.135 nan 8.280 nan 0.000 0.458 164 D N 1.497 121.935 120.400 0.063 0.000 2.262 164 D HA 0.226 4.868 4.640 0.003 0.000 0.212 164 D C 0.116 176.425 176.300 0.015 0.000 0.964 164 D CA 1.255 55.229 54.000 -0.044 0.000 0.875 164 D CB 1.300 42.040 40.800 -0.100 0.000 0.996 164 D HN 0.471 nan 8.370 nan 0.000 0.497 165 I N 1.214 121.847 120.570 0.106 0.000 2.499 165 I HA 0.134 4.306 4.170 0.003 0.000 0.288 165 I C -0.898 175.338 176.117 0.198 0.000 1.048 165 I CA -0.807 60.546 61.300 0.089 0.000 1.062 165 I CB 2.776 40.743 38.000 -0.055 0.000 1.238 165 I HN -0.312 nan 8.210 nan 0.000 0.426 166 D N 6.640 127.157 120.400 0.195 0.000 2.396 166 D HA 0.280 4.922 4.640 0.003 0.000 0.225 166 D C 0.760 177.093 176.300 0.056 0.000 1.121 166 D CA -0.151 53.922 54.000 0.121 0.000 0.853 166 D CB 1.344 42.256 40.800 0.186 0.000 1.043 166 D HN 0.461 nan 8.370 nan 0.000 0.500 167 L N 2.983 124.212 121.223 0.010 0.000 2.376 167 L HA 0.132 4.474 4.340 0.003 0.000 0.219 167 L C 1.626 178.475 176.870 -0.035 0.000 1.133 167 L CA 0.602 55.423 54.840 -0.032 0.000 0.816 167 L CB -0.617 41.377 42.059 -0.110 0.000 0.933 167 L HN 0.673 nan 8.230 nan 0.000 0.449 168 G N -0.118 108.674 108.800 -0.013 0.000 2.568 168 G HA2 -0.241 3.721 3.960 0.003 0.000 0.222 168 G HA3 -0.241 3.721 3.960 0.003 0.000 0.222 168 G C -0.244 174.664 174.900 0.014 0.000 1.321 168 G CA -0.338 44.769 45.100 0.012 0.000 0.893 168 G HN 0.230 nan 8.290 nan 0.000 0.569 169 V N -2.965 116.973 119.914 0.040 0.000 2.732 169 V HA 0.775 4.897 4.120 0.003 0.000 0.297 169 V C 0.199 176.378 176.094 0.141 0.000 1.060 169 V CA -0.197 62.135 62.300 0.054 0.000 1.038 169 V CB 1.572 33.408 31.823 0.022 0.000 1.003 169 V HN 1.556 nan 8.190 nan 0.000 0.481 170 F N 5.642 125.518 119.950 -0.123 0.000 2.794 170 F HA 0.546 5.075 4.527 0.004 0.000 0.353 170 F C -2.570 173.129 175.800 -0.169 0.000 1.371 170 F CA -2.686 55.220 58.000 -0.156 0.000 1.173 170 F CB 1.467 40.362 39.000 -0.175 0.000 1.693 170 F HN 0.473 nan 8.300 nan 0.000 0.606 171 P HA 0.290 nan 4.420 nan 0.000 0.276 171 P C -0.483 176.570 177.300 -0.411 0.000 1.235 171 P CA 0.221 63.131 63.100 -0.318 0.000 0.772 171 P CB 1.650 33.192 31.700 -0.263 0.000 0.871 172 I N 2.072 122.431 120.570 -0.352 0.000 2.465 172 I HA 0.474 4.646 4.170 0.003 0.000 0.291 172 I C 0.486 176.513 176.117 -0.151 0.000 1.014 172 I CA -0.387 60.702 61.300 -0.353 0.000 1.093 172 I CB 2.334 40.069 38.000 -0.443 0.000 1.267 172 I HN 0.267 nan 8.210 nan 0.000 0.431 173 T N 3.102 117.597 114.554 -0.098 0.000 2.894 173 T HA 0.329 4.681 4.350 0.003 0.000 0.309 173 T C -1.395 173.422 174.700 0.194 0.000 1.208 173 T CA -0.750 61.410 62.100 0.099 0.000 1.016 173 T CB 1.291 70.168 68.868 0.015 0.000 1.192 173 T HN 0.690 nan 8.240 nan 0.000 0.491 174 D N 1.727 122.303 120.400 0.293 0.000 2.368 174 D HA 0.296 4.938 4.640 0.003 0.000 0.240 174 D C -0.893 175.477 176.300 0.116 0.000 1.169 174 D CA 0.030 54.130 54.000 0.167 0.000 0.906 174 D CB 0.274 41.131 40.800 0.096 0.000 1.187 174 D HN 0.438 nan 8.370 nan 0.000 0.435 175 Y N 0.450 120.568 120.300 -0.303 0.000 2.362 175 Y HA 0.381 4.934 4.550 0.004 0.000 0.326 175 Y C -2.028 173.591 175.900 -0.468 0.000 1.083 175 Y CA -1.226 56.756 58.100 -0.197 0.000 1.073 175 Y CB 0.928 39.336 38.460 -0.088 0.000 1.211 175 Y HN 0.354 nan 8.280 nan 0.000 0.433 176 Y N 5.050 125.093 120.300 -0.429 0.000 2.429 176 Y HA 0.331 4.884 4.550 0.004 0.000 0.342 176 Y C -0.099 175.476 175.900 -0.541 0.000 1.004 176 Y CA -0.917 56.898 58.100 -0.474 0.000 1.075 176 Y CB 0.959 39.323 38.460 -0.161 0.000 1.214 176 Y HN 0.574 nan 8.280 nan 0.000 0.455 177 Y N -0.532 119.672 120.300 -0.160 0.000 2.395 177 Y HA 0.106 4.658 4.550 0.002 0.000 0.293 177 Y C 1.131 177.003 175.900 -0.046 0.000 1.123 177 Y CA -0.053 57.962 58.100 -0.142 0.000 1.227 177 Y CB -0.165 38.240 38.460 -0.092 0.000 1.012 177 Y HN 0.294 nan 8.280 nan 0.000 0.552 178 R N 0.818 121.375 120.500 0.095 0.000 2.643 178 R HA 0.413 4.755 4.340 0.003 0.000 0.270 178 R C 0.270 176.589 176.300 0.031 0.000 1.061 178 R CA 0.073 56.191 56.100 0.029 0.000 1.107 178 R CB 0.510 30.774 30.300 -0.059 0.000 0.999 178 R HN 0.141 nan 8.270 nan 0.000 0.460 179 A N 1.409 124.243 122.820 0.023 0.000 2.304 179 A HA 0.411 4.733 4.320 0.003 0.000 0.271 179 A C 1.153 178.752 177.584 0.025 0.000 1.091 179 A CA 0.274 52.333 52.037 0.036 0.000 0.812 179 A CB 0.709 19.730 19.000 0.034 0.000 1.056 179 A HN 0.875 nan 8.150 nan 0.000 0.489 180 A N 0.232 123.088 122.820 0.059 0.000 1.908 180 A HA -0.154 4.168 4.320 0.003 0.000 0.218 180 A C 1.547 179.192 177.584 0.101 0.000 1.181 180 A CA 2.024 54.122 52.037 0.101 0.000 0.627 180 A CB -0.607 18.458 19.000 0.108 0.000 0.818 180 A HN 0.835 nan 8.150 nan 0.000 0.445 181 D N -0.127 120.325 120.400 0.086 0.000 2.178 181 D HA -0.116 4.526 4.640 0.003 0.000 0.202 181 D C 1.028 177.368 176.300 0.066 0.000 0.974 181 D CA 1.223 55.277 54.000 0.090 0.000 0.841 181 D CB -0.282 40.560 40.800 0.070 0.000 0.953 181 D HN 0.386 nan 8.370 nan 0.000 0.478 182 D N 0.691 121.103 120.400 0.020 0.000 2.144 182 D HA -0.069 4.573 4.640 0.003 0.000 0.200 182 D C 2.391 178.695 176.300 0.006 0.000 0.978 182 D CA 0.395 54.402 54.000 0.012 0.000 0.833 182 D CB -0.131 40.653 40.800 -0.027 0.000 0.961 182 D HN 0.252 nan 8.370 nan 0.000 0.470 183 L N 0.220 121.375 121.223 -0.113 0.000 2.109 183 L HA -0.102 4.239 4.340 0.003 0.000 0.207 183 L C 2.557 179.215 176.870 -0.353 0.000 1.086 183 L CA 0.340 54.964 54.840 -0.359 0.000 0.760 183 L CB -0.284 41.342 42.059 -0.721 0.000 0.910 183 L HN -0.095 nan 8.230 nan 0.000 0.437 184 V N -0.324 119.532 119.914 -0.096 0.000 2.252 184 V HA -0.395 3.727 4.120 0.003 0.000 0.249 184 V C 2.585 178.720 176.094 0.069 0.000 1.056 184 V CA 2.270 64.613 62.300 0.072 0.000 1.022 184 V CB -0.855 31.078 31.823 0.182 0.000 0.641 184 V HN 0.563 nan 8.190 nan 0.000 0.445 185 H N -1.015 118.071 119.070 0.027 0.000 2.352 185 H HA -0.237 4.322 4.556 0.006 0.000 0.299 185 H C 2.249 177.603 175.328 0.043 0.000 1.097 185 H CA 2.467 58.538 56.048 0.039 0.000 1.311 185 H CB -0.196 29.590 29.762 0.040 0.000 1.377 185 H HN 0.449 nan 8.280 nan 0.000 0.504 186 F N 1.896 121.820 119.950 -0.042 0.000 2.113 186 F HA -0.178 4.350 4.527 0.001 0.000 0.297 186 F C 2.722 178.441 175.800 -0.134 0.000 1.103 186 F CA 2.253 60.196 58.000 -0.095 0.000 1.248 186 F CB -0.652 38.276 39.000 -0.121 0.000 0.999 186 F HN 0.227 nan 8.300 nan 0.000 0.475 187 T N -2.067 112.403 114.554 -0.141 0.000 3.072 187 T HA -0.117 4.235 4.350 0.003 0.000 0.266 187 T C 1.592 176.310 174.700 0.030 0.000 1.127 187 T CA 0.986 62.992 62.100 -0.158 0.000 1.107 187 T CB -0.487 68.240 68.868 -0.235 0.000 0.910 187 T HN 0.484 nan 8.240 nan 0.000 0.513 188 Q N 0.975 120.755 119.800 -0.035 0.000 2.291 188 Q HA 0.063 4.405 4.340 0.003 0.000 0.205 188 Q C 1.212 177.173 176.000 -0.066 0.000 0.970 188 Q CA 0.838 56.639 55.803 -0.002 0.000 0.876 188 Q CB 0.055 28.730 28.738 -0.106 0.000 0.935 188 Q HN 0.570 nan 8.270 nan 0.000 0.455 189 N N -0.244 118.348 118.700 -0.181 0.000 2.143 189 N HA 0.149 4.891 4.740 0.003 0.000 0.229 189 N C -0.853 174.498 175.510 -0.265 0.000 1.294 189 N CA 0.086 52.947 53.050 -0.315 0.000 0.883 189 N CB 0.901 39.196 38.487 -0.321 0.000 1.148 189 N HN 0.128 nan 8.380 nan 0.000 0.511 190 N N 0.330 118.922 118.700 -0.179 0.000 2.277 190 N HA 0.332 5.074 4.740 0.003 0.000 0.286 190 N C -0.854 174.589 175.510 -0.111 0.000 1.140 190 N CA -0.429 52.448 53.050 -0.287 0.000 0.799 190 N CB 2.531 40.288 38.487 -1.218 0.000 1.596 190 N HN -0.065 nan 8.380 nan 0.000 0.473 191 A N 1.996 124.793 122.820 -0.038 0.000 2.531 191 A HA 0.268 4.590 4.320 0.003 0.000 0.236 191 A C -1.934 175.672 177.584 0.036 0.000 1.062 191 A CA -0.494 51.493 52.037 -0.083 0.000 0.760 191 A CB -0.540 18.436 19.000 -0.040 0.000 0.995 191 A HN 0.406 nan 8.150 nan 0.000 0.501 192 P HA 0.255 nan 4.420 nan 0.000 0.271 192 P C -2.504 174.937 177.300 0.235 0.000 1.218 192 P CA -0.910 62.276 63.100 0.144 0.000 0.780 192 P CB -0.092 31.733 31.700 0.207 0.000 0.901 193 P HA 0.202 nan 4.420 nan 0.000 0.274 193 P C -0.054 177.482 177.300 0.393 0.000 1.246 193 P CA -0.231 62.993 63.100 0.207 0.000 0.795 193 P CB 0.363 32.109 31.700 0.077 0.000 1.006 194 F N 0.158 120.141 119.950 0.056 0.000 2.485 194 F HA 0.067 4.596 4.527 0.003 0.000 0.327 194 F C 1.725 177.521 175.800 -0.007 0.000 1.203 194 F CA -0.718 57.275 58.000 -0.012 0.000 1.295 194 F CB -0.376 38.559 39.000 -0.107 0.000 1.191 194 F HN 0.281 nan 8.300 nan 0.000 0.588 195 S N 0.380 116.068 115.700 -0.020 0.000 2.617 195 S HA 0.174 4.646 4.470 0.003 0.000 0.269 195 S C 0.609 175.008 174.600 -0.334 0.000 1.292 195 S CA -0.760 57.141 58.200 -0.497 0.000 1.010 195 S CB 1.109 63.951 63.200 -0.595 0.000 0.944 195 S HN 0.520 nan 8.310 nan 0.000 0.536 196 D N 0.764 120.844 120.400 -0.533 0.000 2.149 196 D HA 0.057 4.699 4.640 0.003 0.000 0.201 196 D C 0.467 176.612 176.300 -0.259 0.000 0.972 196 D CA 1.188 54.896 54.000 -0.487 0.000 0.835 196 D CB -0.114 39.967 40.800 -1.199 0.000 0.966 196 D HN 0.514 nan 8.370 nan 0.000 0.476 197 N N -1.237 117.349 118.700 -0.190 0.000 3.039 197 N HA 0.234 4.976 4.740 0.003 0.000 0.257 197 N C -1.926 173.590 175.510 0.011 0.000 1.497 197 N CA -0.547 52.500 53.050 -0.005 0.000 0.861 197 N CB 2.065 40.630 38.487 0.131 0.000 1.479 197 N HN -0.349 nan 8.380 nan 0.000 0.547 198 V N 1.937 121.855 119.914 0.006 0.000 2.482 198 V HA 0.465 4.587 4.120 0.003 0.000 0.295 198 V C -0.260 175.763 176.094 -0.119 0.000 1.026 198 V CA -0.677 61.598 62.300 -0.041 0.000 0.856 198 V CB 1.340 33.091 31.823 -0.121 0.000 1.001 198 V HN 0.442 nan 8.190 nan 0.000 0.424 199 L N 5.823 126.963 121.223 -0.138 0.000 2.326 199 L HA 0.561 4.903 4.340 0.003 0.000 0.278 199 L C -0.443 176.265 176.870 -0.269 0.000 1.092 199 L CA -0.229 54.488 54.840 -0.204 0.000 0.810 199 L CB 1.119 43.035 42.059 -0.238 0.000 1.153 199 L HN 0.474 nan 8.230 nan 0.000 0.439 200 I N 3.646 124.043 120.570 -0.288 0.000 2.355 200 I HA 0.192 4.364 4.170 0.003 0.000 0.288 200 I C 0.301 176.138 176.117 -0.466 0.000 0.999 200 I CA -0.488 60.536 61.300 -0.461 0.000 1.163 200 I CB 1.225 38.986 38.000 -0.399 0.000 1.316 200 I HN 0.689 nan 8.210 nan 0.000 0.454 201 N N 5.233 123.596 118.700 -0.561 0.000 2.716 201 N HA -0.217 4.525 4.740 0.003 0.000 0.250 201 N C 0.822 176.218 175.510 -0.191 0.000 1.033 201 N CA 1.336 54.180 53.050 -0.343 0.000 0.727 201 N CB -0.688 37.647 38.487 -0.254 0.000 0.950 201 N HN 1.119 nan 8.380 nan 0.000 0.541 202 G N -2.593 106.092 108.800 -0.192 0.000 2.179 202 G HA2 -0.241 3.721 3.960 0.003 0.000 0.260 202 G HA3 -0.241 3.721 3.960 0.003 0.000 0.260 202 G C 0.241 175.056 174.900 -0.141 0.000 0.977 202 G CA 0.900 45.919 45.100 -0.136 0.000 0.641 202 G HN 1.027 nan 8.290 nan 0.000 0.533 203 T N -0.899 113.563 114.554 -0.154 0.000 2.883 203 T HA 0.913 5.265 4.350 0.003 0.000 0.301 203 T C -0.568 174.046 174.700 -0.142 0.000 1.158 203 T CA 0.801 62.818 62.100 -0.140 0.000 1.007 203 T CB 1.600 70.412 68.868 -0.093 0.000 1.186 203 T HN 1.885 nan 8.240 nan 0.000 0.499 204 A N 1.833 124.563 122.820 -0.148 0.000 2.610 204 A HA 0.751 5.073 4.320 0.003 0.000 0.291 204 A C -1.454 176.008 177.584 -0.204 0.000 1.086 204 A CA -0.583 51.360 52.037 -0.156 0.000 0.677 204 A CB 1.157 20.089 19.000 -0.114 0.000 1.278 204 A HN 0.757 nan 8.150 nan 0.000 0.414 205 V N 1.914 121.640 119.914 -0.312 0.000 2.539 205 V HA 0.326 4.448 4.120 0.003 0.000 0.292 205 V C 0.449 176.465 176.094 -0.130 0.000 1.045 205 V CA -0.932 61.184 62.300 -0.306 0.000 0.945 205 V CB 1.652 33.123 31.823 -0.587 0.000 0.993 205 V HN 0.836 nan 8.190 nan 0.000 0.464 206 N N 6.026 124.688 118.700 -0.063 0.000 2.442 206 N HA 0.147 4.889 4.740 0.003 0.000 0.265 206 N C -1.460 174.059 175.510 0.016 0.000 1.138 206 N CA -1.428 51.630 53.050 0.014 0.000 0.956 206 N CB 1.896 40.397 38.487 0.025 0.000 1.067 206 N HN 0.369 nan 8.380 nan 0.000 0.474 207 P HA -0.053 nan 4.420 nan 0.000 0.223 207 P C 0.015 177.343 177.300 0.047 0.000 1.151 207 P CA 1.240 64.367 63.100 0.045 0.000 0.787 207 P CB 0.546 32.278 31.700 0.052 0.000 0.788 208 N N -0.547 118.181 118.700 0.047 0.000 2.349 208 N HA -0.045 4.697 4.740 0.003 0.000 0.180 208 N C 1.682 177.209 175.510 0.027 0.000 1.024 208 N CA 1.465 54.538 53.050 0.039 0.000 0.869 208 N CB -0.433 38.079 38.487 0.042 0.000 1.022 208 N HN 0.161 nan 8.380 nan 0.000 0.433 209 T N -3.432 111.133 114.554 0.019 0.000 3.014 209 T HA 0.310 4.662 4.350 0.003 0.000 0.250 209 T C 1.590 176.293 174.700 0.005 0.000 1.060 209 T CA 0.426 62.530 62.100 0.007 0.000 1.040 209 T CB 0.388 69.252 68.868 -0.006 0.000 0.971 209 T HN 0.269 nan 8.240 nan 0.000 0.497 210 G N 1.519 110.322 108.800 0.004 0.000 2.168 210 G HA2 -0.259 3.703 3.960 0.003 0.000 0.263 210 G HA3 -0.259 3.703 3.960 0.003 0.000 0.263 210 G C -0.157 174.728 174.900 -0.025 0.000 0.977 210 G CA 0.297 45.396 45.100 -0.003 0.000 0.659 210 G HN 0.680 nan 8.290 nan 0.000 0.533 211 E N -0.008 120.174 120.200 -0.030 0.000 2.392 211 E HA 0.478 4.830 4.350 0.003 0.000 0.259 211 E C 1.020 177.578 176.600 -0.070 0.000 1.108 211 E CA 0.500 56.873 56.400 -0.044 0.000 0.916 211 E CB 0.739 30.413 29.700 -0.043 0.000 0.989 211 E HN 1.490 nan 8.360 nan 0.000 0.432 212 G N 0.946 109.699 108.800 -0.078 0.000 2.582 212 G HA2 -0.148 3.814 3.960 0.003 0.000 0.222 212 G HA3 -0.148 3.814 3.960 0.003 0.000 0.222 212 G C -1.245 173.584 174.900 -0.118 0.000 1.311 212 G CA -0.848 44.190 45.100 -0.102 0.000 0.915 212 G HN 0.386 nan 8.290 nan 0.000 0.528 213 Q N -1.188 118.528 119.800 -0.140 0.000 2.377 213 Q HA 0.466 4.808 4.340 0.003 0.000 0.279 213 Q C -1.366 174.559 176.000 -0.126 0.000 1.049 213 Q CA -0.744 54.998 55.803 -0.102 0.000 0.825 213 Q CB 1.963 30.685 28.738 -0.028 0.000 1.401 213 Q HN 0.584 nan 8.270 nan 0.000 0.404 214 Y N 0.651 120.985 120.300 0.057 0.000 2.442 214 Y HA 0.285 4.837 4.550 0.004 0.000 0.330 214 Y C 1.019 176.948 175.900 0.049 0.000 1.129 214 Y CA -0.043 58.111 58.100 0.090 0.000 1.365 214 Y CB 0.550 39.120 38.460 0.183 0.000 1.233 214 Y HN 0.639 nan 8.280 nan 0.000 0.529 215 A N 3.321 126.252 122.820 0.185 0.000 2.565 215 A HA 0.066 4.388 4.320 0.003 0.000 0.237 215 A C 0.143 177.800 177.584 0.122 0.000 1.053 215 A CA -0.029 52.077 52.037 0.115 0.000 0.755 215 A CB -0.195 18.856 19.000 0.085 0.000 0.980 215 A HN 0.743 nan 8.150 nan 0.000 0.506 216 N N 2.001 120.712 118.700 0.019 0.000 2.540 216 N HA 0.415 5.156 4.740 0.003 0.000 0.275 216 N C -1.572 173.824 175.510 -0.190 0.000 1.053 216 N CA -0.345 52.667 53.050 -0.062 0.000 0.876 216 N CB 1.476 39.937 38.487 -0.043 0.000 1.284 216 N HN 0.255 nan 8.380 nan 0.000 0.518 217 V N 2.733 122.394 119.914 -0.421 0.000 2.370 217 V HA 0.420 4.542 4.120 0.003 0.000 0.279 217 V C 0.313 176.132 176.094 -0.458 0.000 1.029 217 V CA -0.496 61.416 62.300 -0.646 0.000 0.870 217 V CB 1.348 32.261 31.823 -1.517 0.000 0.984 217 V HN 0.588 nan 8.190 nan 0.000 0.451 218 T N 7.113 121.503 114.554 -0.273 0.000 2.728 218 T HA 0.506 4.858 4.350 0.003 0.000 0.296 218 T C -0.077 174.478 174.700 -0.242 0.000 0.940 218 T CA -0.162 61.848 62.100 -0.149 0.000 1.013 218 T CB 0.248 69.116 68.868 -0.001 0.000 0.912 218 T HN 0.336 nan 8.240 nan 0.000 0.484 219 L N 3.396 124.414 121.223 -0.342 0.000 2.326 219 L HA 0.352 4.694 4.340 0.003 0.000 0.278 219 L C 0.734 177.473 176.870 -0.218 0.000 1.092 219 L CA -0.683 53.849 54.840 -0.512 0.000 0.810 219 L CB 0.852 42.436 42.059 -0.792 0.000 1.153 219 L HN 0.545 nan 8.230 nan 0.000 0.439 220 T N 3.735 118.382 114.554 0.155 0.000 2.728 220 T HA 0.263 4.615 4.350 0.003 0.000 0.296 220 T C -2.350 172.384 174.700 0.056 0.000 0.940 220 T CA -1.238 60.917 62.100 0.092 0.000 1.013 220 T CB 0.924 69.848 68.868 0.093 0.000 0.912 220 T HN 0.299 nan 8.240 nan 0.000 0.484 221 P HA 0.218 nan 4.420 nan 0.000 0.266 221 P C 1.121 178.476 177.300 0.091 0.000 1.195 221 P CA 0.640 63.801 63.100 0.101 0.000 0.768 221 P CB 0.340 32.152 31.700 0.187 0.000 0.838 222 G N 0.786 109.655 108.800 0.115 0.000 2.184 222 G HA2 -0.221 3.741 3.960 0.003 0.000 0.264 222 G HA3 -0.221 3.741 3.960 0.003 0.000 0.264 222 G C 0.134 175.054 174.900 0.034 0.000 0.975 222 G CA 0.071 45.215 45.100 0.075 0.000 0.642 222 G HN 0.485 nan 8.290 nan 0.000 0.536 223 K N 0.192 120.601 120.400 0.014 0.000 2.118 223 K HA 0.583 4.905 4.320 0.003 0.000 0.254 223 K C 0.524 177.034 176.600 -0.151 0.000 0.961 223 K CA -0.774 55.434 56.287 -0.132 0.000 0.876 223 K CB 1.120 33.424 32.500 -0.326 0.000 1.077 223 K HN 0.328 nan 8.250 nan 0.000 0.440 224 R N 1.662 122.066 120.500 -0.161 0.000 2.265 224 R HA 0.293 4.635 4.340 0.003 0.000 0.319 224 R C -0.605 175.627 176.300 -0.113 0.000 1.006 224 R CA -0.515 55.570 56.100 -0.025 0.000 0.880 224 R CB 0.533 30.869 30.300 0.059 0.000 1.077 224 R HN 0.502 nan 8.270 nan 0.000 0.454 225 H N 0.772 119.856 119.070 0.022 0.000 2.529 225 H HA 0.294 4.852 4.556 0.003 0.000 0.348 225 H C -0.532 174.735 175.328 -0.101 0.000 1.079 225 H CA -0.903 55.136 56.048 -0.015 0.000 1.198 225 H CB 1.467 31.198 29.762 -0.051 0.000 1.521 225 H HN 0.300 nan 8.280 nan 0.000 0.514 226 R N 2.888 123.319 120.500 -0.115 0.000 2.297 226 R HA 0.433 4.775 4.340 0.003 0.000 0.308 226 R C -1.333 174.879 176.300 -0.146 0.000 1.029 226 R CA -0.833 55.088 56.100 -0.299 0.000 0.929 226 R CB 0.444 30.300 30.300 -0.739 0.000 1.046 226 R HN 0.521 nan 8.270 nan 0.000 0.461 227 L N 4.466 125.618 121.223 -0.119 0.000 2.356 227 L HA 0.464 4.806 4.340 0.003 0.000 0.277 227 L C -0.926 175.910 176.870 -0.057 0.000 0.996 227 L CA -0.412 54.364 54.840 -0.107 0.000 0.822 227 L CB 1.668 43.648 42.059 -0.132 0.000 1.256 227 L HN 0.643 nan 8.230 nan 0.000 0.413 228 R N 6.449 126.932 120.500 -0.028 0.000 2.369 228 R HA 0.508 4.850 4.340 0.003 0.000 0.310 228 R C -0.859 175.469 176.300 0.045 0.000 1.141 228 R CA -0.298 55.801 56.100 -0.002 0.000 1.116 228 R CB 0.311 30.602 30.300 -0.015 0.000 1.135 228 R HN 0.579 nan 8.270 nan 0.000 0.529 229 I N 4.410 125.021 120.570 0.068 0.000 2.395 229 I HA 0.223 4.395 4.170 0.003 0.000 0.289 229 I C -0.290 175.801 176.117 -0.043 0.000 1.023 229 I CA -0.582 60.776 61.300 0.097 0.000 1.350 229 I CB 0.744 38.854 38.000 0.184 0.000 1.409 229 I HN 0.252 nan 8.210 nan 0.000 0.507 230 L N 5.736 126.876 121.223 -0.137 0.000 2.370 230 L HA 0.461 4.803 4.340 0.003 0.000 0.266 230 L C -0.206 176.447 176.870 -0.361 0.000 1.002 230 L CA -0.558 54.088 54.840 -0.323 0.000 0.818 230 L CB 1.415 43.217 42.059 -0.429 0.000 1.325 230 L HN 0.431 nan 8.230 nan 0.000 0.418 231 N N 0.230 118.630 118.700 -0.501 0.000 2.546 231 N HA 0.221 4.963 4.740 0.003 0.000 0.238 231 N C 0.177 175.190 175.510 -0.830 0.000 0.984 231 N CA -0.242 52.536 53.050 -0.453 0.000 0.935 231 N CB 1.061 39.311 38.487 -0.396 0.000 1.122 231 N HN 0.743 nan 8.380 nan 0.000 0.510 232 T N -0.918 113.194 114.554 -0.736 0.000 3.244 232 T HA 0.240 4.592 4.350 0.003 0.000 0.254 232 T C 0.538 175.031 174.700 -0.344 0.000 1.024 232 T CA -0.430 61.077 62.100 -0.989 0.000 0.920 232 T CB -0.278 68.185 68.868 -0.675 0.000 1.042 232 T HN 0.154 nan 8.240 nan 0.000 0.572 233 S N 2.249 117.807 115.700 -0.236 0.000 2.587 233 S HA 0.214 4.686 4.470 0.003 0.000 0.260 233 S C 1.785 176.404 174.600 0.032 0.000 1.353 233 S CA 0.117 58.287 58.200 -0.050 0.000 0.995 233 S CB 0.881 63.981 63.200 -0.167 0.000 0.912 233 S HN 0.725 nan 8.310 nan 0.000 0.568 234 T N -1.739 112.770 114.554 -0.076 0.000 3.044 234 T HA 0.178 4.530 4.350 0.003 0.000 0.255 234 T C 1.080 175.479 174.700 -0.502 0.000 1.073 234 T CA 0.390 62.249 62.100 -0.402 0.000 1.125 234 T CB 0.083 68.486 68.868 -0.775 0.000 0.908 234 T HN 0.606 nan 8.240 nan 0.000 0.480 235 E N 0.873 120.916 120.200 -0.262 0.000 2.661 235 E HA 0.137 4.489 4.350 0.003 0.000 0.202 235 E C -0.248 176.326 176.600 -0.043 0.000 0.911 235 E CA -0.133 56.161 56.400 -0.176 0.000 1.581 235 E CB 0.223 29.900 29.700 -0.038 0.000 1.667 235 E HN 0.471 nan 8.360 nan 0.000 0.911 236 N N 0.849 119.497 118.700 -0.087 0.000 2.492 236 N HA 0.061 4.803 4.740 0.003 0.000 0.260 236 N C -0.889 174.256 175.510 -0.608 0.000 1.215 236 N CA 0.248 53.184 53.050 -0.189 0.000 0.923 236 N CB 0.341 38.708 38.487 -0.202 0.000 1.092 236 N HN 0.112 nan 8.380 nan 0.000 0.448 237 H N 1.433 120.200 119.070 -0.505 0.000 2.489 237 H HA 0.414 4.972 4.556 0.003 0.000 0.343 237 H C -0.914 174.097 175.328 -0.529 0.000 1.086 237 H CA -0.295 55.406 56.048 -0.579 0.000 1.198 237 H CB 0.563 30.242 29.762 -0.137 0.000 1.490 237 H HN 0.328 nan 8.280 nan 0.000 0.504 238 F N 0.840 120.562 119.950 -0.380 0.000 2.538 238 F HA 0.463 4.992 4.527 0.003 0.000 0.325 238 F C 0.075 175.613 175.800 -0.436 0.000 1.066 238 F CA -0.928 56.788 58.000 -0.473 0.000 0.946 238 F CB 1.627 40.370 39.000 -0.428 0.000 1.199 238 F HN 0.386 nan 8.300 nan 0.000 0.473 239 Q N 1.798 121.511 119.800 -0.144 0.000 2.333 239 Q HA 0.703 5.045 4.340 0.003 0.000 0.267 239 Q C -1.130 174.729 176.000 -0.235 0.000 1.012 239 Q CA -1.086 54.622 55.803 -0.159 0.000 0.824 239 Q CB 2.958 31.676 28.738 -0.032 0.000 1.290 239 Q HN 0.551 nan 8.270 nan 0.000 0.449 240 V N -1.054 118.700 119.914 -0.266 0.000 2.864 240 V HA 0.976 5.098 4.120 0.003 0.000 0.314 240 V C -0.542 175.295 176.094 -0.429 0.000 1.073 240 V CA -0.640 61.400 62.300 -0.433 0.000 0.956 240 V CB 1.876 33.481 31.823 -0.363 0.000 1.023 240 V HN 0.896 nan 8.190 nan 0.000 0.435 241 S N 2.979 118.297 115.700 -0.637 0.000 2.558 241 S HA 0.684 5.156 4.470 0.003 0.000 0.277 241 S C -1.528 172.782 174.600 -0.483 0.000 1.143 241 S CA -0.705 57.250 58.200 -0.407 0.000 0.865 241 S CB 1.518 64.592 63.200 -0.210 0.000 1.102 241 S HN 1.729 nan 8.310 nan 0.000 0.454 242 L N 2.561 123.612 121.223 -0.287 0.000 2.298 242 L HA 0.651 4.993 4.340 0.003 0.000 0.284 242 L C -0.611 176.241 176.870 -0.030 0.000 1.013 242 L CA -0.631 54.076 54.840 -0.221 0.000 0.824 242 L CB 1.402 43.224 42.059 -0.395 0.000 1.221 242 L HN 0.733 nan 8.230 nan 0.000 0.418 243 V N 6.952 126.922 119.914 0.094 0.000 2.584 243 V HA -0.025 4.097 4.120 0.003 0.000 0.303 243 V C 1.538 177.811 176.094 0.298 0.000 1.035 243 V CA 1.136 63.559 62.300 0.205 0.000 1.172 243 V CB -0.109 31.895 31.823 0.301 0.000 0.896 243 V HN 1.095 nan 8.190 nan 0.000 0.486 244 N N 1.727 120.530 118.700 0.172 0.000 2.909 244 N HA -0.179 4.563 4.740 0.003 0.000 0.242 244 N C -0.124 175.294 175.510 -0.154 0.000 0.975 244 N CA 0.992 54.069 53.050 0.046 0.000 0.921 244 N CB -0.450 38.095 38.487 0.097 0.000 1.112 244 N HN 0.900 nan 8.380 nan 0.000 0.581 245 H N -0.658 118.334 119.070 -0.130 0.000 2.797 245 H HA 0.471 5.029 4.556 0.003 0.000 0.372 245 H C 0.177 175.443 175.328 -0.103 0.000 1.168 245 H CA 0.330 56.295 56.048 -0.139 0.000 1.163 245 H CB 1.673 31.320 29.762 -0.193 0.000 1.778 245 H HN 0.126 nan 8.280 nan 0.000 0.551 246 T N -0.743 113.833 114.554 0.037 0.000 2.936 246 T HA 0.699 5.051 4.350 0.003 0.000 0.282 246 T C -0.042 174.655 174.700 -0.005 0.000 1.003 246 T CA -1.028 61.072 62.100 -0.001 0.000 1.005 246 T CB 1.007 69.867 68.868 -0.013 0.000 1.097 246 T HN 0.399 nan 8.240 nan 0.000 0.532 247 M N 1.401 120.983 119.600 -0.030 0.000 2.326 247 M HA 0.364 4.846 4.480 0.003 0.000 0.306 247 M C -0.931 175.347 176.300 -0.037 0.000 1.054 247 M CA -0.655 54.622 55.300 -0.038 0.000 0.922 247 M CB 2.679 35.243 32.600 -0.060 0.000 1.632 247 M HN 0.629 nan 8.290 nan 0.000 0.436 248 T N 2.616 117.157 114.554 -0.021 0.000 2.753 248 T HA 0.383 4.735 4.350 0.003 0.000 0.297 248 T C 0.044 174.734 174.700 -0.017 0.000 0.981 248 T CA -0.545 61.546 62.100 -0.015 0.000 0.956 248 T CB 0.737 69.609 68.868 0.007 0.000 0.936 248 T HN 0.383 nan 8.240 nan 0.000 0.463 249 V N 5.707 125.604 119.914 -0.028 0.000 2.529 249 V HA 0.136 4.258 4.120 0.003 0.000 0.292 249 V C 1.382 177.495 176.094 0.031 0.000 1.028 249 V CA 0.245 62.542 62.300 -0.006 0.000 1.074 249 V CB 0.077 31.878 31.823 -0.038 0.000 0.958 249 V HN 0.917 nan 8.190 nan 0.000 0.481 250 I N 1.812 122.406 120.570 0.040 0.000 4.227 250 I HA 0.766 4.938 4.170 0.003 0.000 0.334 250 I C 0.545 176.689 176.117 0.045 0.000 1.341 250 I CA 0.051 61.377 61.300 0.044 0.000 1.123 250 I CB 0.512 38.533 38.000 0.035 0.000 1.097 250 I HN 0.532 nan 8.210 nan 0.000 0.399 251 A N 1.323 124.178 122.820 0.059 0.000 2.604 251 A HA 0.877 5.199 4.320 0.003 0.000 0.295 251 A C -1.410 176.213 177.584 0.065 0.000 1.067 251 A CA -0.155 51.895 52.037 0.022 0.000 0.683 251 A CB 1.340 20.310 19.000 -0.050 0.000 1.281 251 A HN 0.370 nan 8.150 nan 0.000 0.407 252 A N 1.866 124.671 122.820 -0.024 0.000 2.335 252 A HA 0.731 5.053 4.320 0.003 0.000 0.304 252 A C 0.080 177.525 177.584 -0.232 0.000 1.118 252 A CA 0.155 52.096 52.037 -0.159 0.000 0.757 252 A CB 0.208 19.194 19.000 -0.024 0.000 1.188 252 A HN 1.189 nan 8.150 nan 0.000 0.460 253 D N 0.657 120.860 120.400 -0.328 0.000 3.452 253 D HA -0.266 4.376 4.640 0.003 0.000 0.164 253 D C 0.670 176.851 176.300 -0.199 0.000 1.074 253 D CA 1.945 55.806 54.000 -0.232 0.000 1.069 253 D CB -0.502 40.189 40.800 -0.183 0.000 0.527 253 D HN 0.631 nan 8.370 nan 0.000 0.558 254 M N 0.598 120.077 119.600 -0.202 0.000 2.637 254 M HA 0.224 4.706 4.480 0.003 0.000 0.286 254 M C -0.694 175.375 176.300 -0.384 0.000 1.246 254 M CA 0.070 55.204 55.300 -0.278 0.000 0.978 254 M CB 0.519 32.956 32.600 -0.270 0.000 1.417 254 M HN 0.025 nan 8.290 nan 0.000 0.487 255 V N 1.738 121.489 119.914 -0.273 0.000 2.334 255 V HA 0.346 4.468 4.120 0.003 0.000 0.281 255 V C -2.306 173.687 176.094 -0.168 0.000 1.016 255 V CA -1.804 60.359 62.300 -0.227 0.000 0.832 255 V CB 0.864 32.639 31.823 -0.079 0.000 0.999 255 V HN 0.185 nan 8.190 nan 0.000 0.439 256 P HA 0.103 nan 4.420 nan 0.000 0.262 256 P C -0.437 176.875 177.300 0.020 0.000 1.182 256 P CA 0.446 63.507 63.100 -0.064 0.000 0.761 256 P CB 0.602 32.291 31.700 -0.019 0.000 0.795 257 V N 0.813 120.752 119.914 0.041 0.000 3.046 257 V HA 0.558 4.680 4.120 0.003 0.000 0.316 257 V C -0.153 175.980 176.094 0.065 0.000 1.104 257 V CA -1.224 61.112 62.300 0.060 0.000 1.006 257 V CB 1.979 33.844 31.823 0.070 0.000 1.058 257 V HN 0.248 nan 8.190 nan 0.000 0.440 258 N N 1.877 120.615 118.700 0.063 0.000 2.458 258 N HA 0.271 5.013 4.740 0.003 0.000 0.258 258 N C 0.496 176.037 175.510 0.051 0.000 1.219 258 N CA 0.675 53.760 53.050 0.058 0.000 0.902 258 N CB 1.074 39.592 38.487 0.051 0.000 1.076 258 N HN 1.271 nan 8.380 nan 0.000 0.455 259 A N 2.735 125.585 122.820 0.050 0.000 2.592 259 A HA -0.053 4.269 4.320 0.003 0.000 0.250 259 A C 0.479 178.080 177.584 0.029 0.000 1.017 259 A CA 0.638 52.700 52.037 0.041 0.000 0.794 259 A CB -0.370 18.655 19.000 0.043 0.000 0.917 259 A HN 0.753 nan 8.150 nan 0.000 0.515 260 M N 4.150 123.761 119.600 0.019 0.000 2.067 260 M HA 0.249 4.731 4.480 0.003 0.000 0.286 260 M C -0.792 175.500 176.300 -0.013 0.000 0.922 260 M CA -0.143 55.161 55.300 0.006 0.000 0.937 260 M CB 1.382 33.987 32.600 0.008 0.000 1.550 260 M HN 0.650 nan 8.290 nan 0.000 0.433 261 T N 4.436 118.984 114.554 -0.010 0.000 2.817 261 T HA 0.587 4.939 4.350 0.003 0.000 0.293 261 T C -0.269 174.416 174.700 -0.026 0.000 0.964 261 T CA -0.513 61.576 62.100 -0.018 0.000 1.085 261 T CB 0.894 69.757 68.868 -0.008 0.000 0.921 261 T HN 0.590 nan 8.240 nan 0.000 0.502 262 V N 0.209 120.101 119.914 -0.037 0.000 3.159 262 V HA 0.574 4.696 4.120 0.003 0.000 0.308 262 V C -0.250 175.824 176.094 -0.034 0.000 1.190 262 V CA -0.912 61.367 62.300 -0.036 0.000 1.037 262 V CB 2.347 34.137 31.823 -0.055 0.000 1.060 262 V HN 0.583 nan 8.190 nan 0.000 0.437 263 D N 1.097 121.485 120.400 -0.021 0.000 2.271 263 D HA 0.177 4.819 4.640 0.003 0.000 0.206 263 D C 0.884 177.167 176.300 -0.028 0.000 0.967 263 D CA 1.645 55.632 54.000 -0.021 0.000 0.867 263 D CB 0.794 41.587 40.800 -0.013 0.000 0.960 263 D HN 0.926 nan 8.370 nan 0.000 0.509 264 S N -0.814 114.888 115.700 0.002 0.000 2.596 264 S HA 0.668 5.140 4.470 0.003 0.000 0.270 264 S C -1.163 173.414 174.600 -0.039 0.000 1.155 264 S CA -0.960 57.236 58.200 -0.007 0.000 0.827 264 S CB 2.006 65.269 63.200 0.104 0.000 1.130 264 S HN -0.003 nan 8.310 nan 0.000 0.467 265 L N 1.452 122.558 121.223 -0.195 0.000 2.422 265 L HA 0.628 4.970 4.340 0.003 0.000 0.264 265 L C -1.452 175.197 176.870 -0.368 0.000 0.984 265 L CA -0.744 53.919 54.840 -0.295 0.000 0.819 265 L CB 2.138 43.994 42.059 -0.339 0.000 1.330 265 L HN 0.827 nan 8.230 nan 0.000 0.410 266 F N 3.390 123.033 119.950 -0.513 0.000 2.404 266 F HA 0.585 5.114 4.527 0.003 0.000 0.345 266 F C -0.981 174.829 175.800 0.017 0.000 1.110 266 F CA -0.434 57.377 58.000 -0.316 0.000 1.130 266 F CB 0.915 39.757 39.000 -0.263 0.000 1.129 266 F HN 0.159 nan 8.300 nan 0.000 0.500 267 L N 6.691 127.498 121.223 -0.694 0.000 2.316 267 L HA 0.592 4.934 4.340 0.003 0.000 0.280 267 L C 0.167 176.485 176.870 -0.921 0.000 1.006 267 L CA -0.400 54.123 54.840 -0.527 0.000 0.836 267 L CB 1.121 43.039 42.059 -0.234 0.000 1.221 267 L HN 0.795 nan 8.230 nan 0.000 0.418 268 A N 3.001 125.428 122.820 -0.654 0.000 2.386 268 A HA 0.460 4.782 4.320 0.003 0.000 0.246 268 A C 0.249 177.448 177.584 -0.641 0.000 1.089 268 A CA -0.440 51.309 52.037 -0.479 0.000 0.790 268 A CB 0.277 19.289 19.000 0.020 0.000 1.042 268 A HN 0.413 nan 8.150 nan 0.000 0.497 269 V N 1.296 120.674 119.914 -0.894 0.000 2.584 269 V HA 0.338 4.460 4.120 0.003 0.000 0.303 269 V C 1.678 177.441 176.094 -0.550 0.000 1.035 269 V CA 1.953 63.848 62.300 -0.674 0.000 1.172 269 V CB -0.235 31.264 31.823 -0.540 0.000 0.896 269 V HN 1.977 nan 8.190 nan 0.000 0.486 270 G N 3.347 111.723 108.800 -0.707 0.000 2.225 270 G HA2 -0.236 3.726 3.960 0.003 0.000 0.254 270 G HA3 -0.236 3.726 3.960 0.003 0.000 0.254 270 G C 0.238 174.814 174.900 -0.540 0.000 0.988 270 G CA 0.278 44.954 45.100 -0.707 0.000 0.625 270 G HN 0.649 nan 8.290 nan 0.000 0.527 271 Q N -0.167 119.358 119.800 -0.458 0.000 2.368 271 Q HA 0.667 5.009 4.340 0.003 0.000 0.237 271 Q C 0.273 176.006 176.000 -0.446 0.000 0.987 271 Q CA 0.030 55.604 55.803 -0.382 0.000 0.896 271 Q CB 0.586 29.123 28.738 -0.334 0.000 1.241 271 Q HN 0.389 nan 8.270 nan 0.000 0.485 272 R N 0.534 120.770 120.500 -0.440 0.000 2.744 272 R HA 0.509 4.851 4.340 0.003 0.000 0.279 272 R C -1.682 174.342 176.300 -0.460 0.000 0.977 272 R CA -0.527 55.355 56.100 -0.363 0.000 0.906 272 R CB 1.310 31.452 30.300 -0.263 0.000 1.197 272 R HN 0.462 nan 8.270 nan 0.000 0.463 273 Y N 0.033 120.276 120.300 -0.096 0.000 2.386 273 Y HA 0.316 4.867 4.550 0.003 0.000 0.334 273 Y C -0.774 175.091 175.900 -0.058 0.000 1.002 273 Y CA -1.094 56.968 58.100 -0.065 0.000 1.068 273 Y CB 2.075 40.508 38.460 -0.046 0.000 1.203 273 Y HN 0.485 nan 8.280 nan 0.000 0.443 274 D N 2.904 123.364 120.400 0.102 0.000 2.280 274 D HA 0.466 5.108 4.640 0.003 0.000 0.243 274 D C -0.605 175.710 176.300 0.025 0.000 1.129 274 D CA 0.026 54.040 54.000 0.024 0.000 0.848 274 D CB 1.249 42.031 40.800 -0.029 0.000 1.107 274 D HN 0.323 nan 8.370 nan 0.000 0.471 275 V N -0.015 119.892 119.914 -0.012 0.000 2.960 275 V HA 0.736 4.858 4.120 0.003 0.000 0.315 275 V C -0.490 175.565 176.094 -0.065 0.000 1.087 275 V CA -0.845 61.440 62.300 -0.026 0.000 0.982 275 V CB 2.072 33.886 31.823 -0.014 0.000 1.039 275 V HN 0.160 nan 8.190 nan 0.000 0.437 276 V N 3.934 123.822 119.914 -0.043 0.000 2.417 276 V HA 0.549 4.671 4.120 0.003 0.000 0.291 276 V C -0.259 175.842 176.094 0.012 0.000 1.024 276 V CA -0.240 62.044 62.300 -0.027 0.000 0.861 276 V CB 1.284 33.109 31.823 0.002 0.000 0.985 276 V HN 0.786 nan 8.190 nan 0.000 0.436 277 I N 4.016 124.610 120.570 0.040 0.000 2.389 277 I HA 0.410 4.582 4.170 0.003 0.000 0.288 277 I C -0.640 175.561 176.117 0.141 0.000 0.999 277 I CA -0.457 60.875 61.300 0.053 0.000 1.129 277 I CB 1.770 39.754 38.000 -0.027 0.000 1.288 277 I HN 0.483 nan 8.210 nan 0.000 0.444 278 D N 5.901 126.377 120.400 0.126 0.000 2.249 278 D HA 0.302 4.944 4.640 0.003 0.000 0.246 278 D C 0.179 176.583 176.300 0.172 0.000 1.114 278 D CA -0.155 53.930 54.000 0.141 0.000 0.854 278 D CB 1.944 42.796 40.800 0.086 0.000 1.132 278 D HN 0.546 nan 8.370 nan 0.000 0.461 279 A N 1.832 124.758 122.820 0.177 0.000 3.091 279 A HA 0.232 4.554 4.320 0.003 0.000 0.264 279 A C 0.969 178.719 177.584 0.278 0.000 1.673 279 A CA -0.377 51.740 52.037 0.134 0.000 1.362 279 A CB -0.487 18.436 19.000 -0.128 0.000 1.137 279 A HN 0.380 nan 8.150 nan 0.000 0.617 280 S N -0.256 115.570 115.700 0.209 0.000 2.593 280 S HA 0.262 4.734 4.470 0.003 0.000 0.236 280 S C 0.616 175.234 174.600 0.030 0.000 0.991 280 S CA -0.584 57.682 58.200 0.111 0.000 0.963 280 S CB 0.362 63.589 63.200 0.044 0.000 0.865 280 S HN 0.509 nan 8.310 nan 0.000 0.488 281 R N 1.753 122.262 120.500 0.014 0.000 2.608 281 R HA 0.705 5.047 4.340 0.003 0.000 0.255 281 R C 0.307 176.481 176.300 -0.209 0.000 1.086 281 R CA -0.463 55.526 56.100 -0.184 0.000 1.125 281 R CB -0.187 29.820 30.300 -0.488 0.000 1.193 281 R HN 0.289 nan 8.270 nan 0.000 0.553 282 A N 2.414 125.134 122.820 -0.166 0.000 2.567 282 A HA 0.180 4.502 4.320 0.003 0.000 0.240 282 A C -1.901 175.454 177.584 -0.383 0.000 1.053 282 A CA -0.654 51.282 52.037 -0.168 0.000 0.755 282 A CB -0.724 18.228 19.000 -0.080 0.000 0.978 282 A HN 0.295 nan 8.150 nan 0.000 0.507 283 P HA 0.171 nan 4.420 nan 0.000 0.260 283 P C -0.537 176.604 177.300 -0.264 0.000 1.207 283 P CA 0.687 63.547 63.100 -0.400 0.000 0.780 283 P CB 0.455 32.112 31.700 -0.072 0.000 0.789 284 D N 2.068 122.310 120.400 -0.263 0.000 2.713 284 D HA 0.201 4.843 4.640 0.003 0.000 0.306 284 D C -1.047 175.180 176.300 -0.123 0.000 1.299 284 D CA -0.496 53.352 54.000 -0.254 0.000 0.823 284 D CB 1.313 41.768 40.800 -0.575 0.000 1.353 284 D HN 0.066 nan 8.370 nan 0.000 0.447 285 N N 0.831 119.369 118.700 -0.269 0.000 2.426 285 N HA 0.310 5.052 4.740 0.003 0.000 0.275 285 N C -1.032 174.200 175.510 -0.463 0.000 1.019 285 N CA -0.005 52.938 53.050 -0.178 0.000 0.941 285 N CB 0.951 39.330 38.487 -0.181 0.000 1.123 285 N HN 0.255 nan 8.380 nan 0.000 0.486 286 Y N 0.069 120.346 120.300 -0.038 0.000 2.409 286 Y HA 0.309 4.861 4.550 0.003 0.000 0.343 286 Y C -0.094 175.806 175.900 0.000 0.000 0.973 286 Y CA -0.918 57.166 58.100 -0.027 0.000 1.064 286 Y CB 1.273 39.794 38.460 0.101 0.000 1.207 286 Y HN 0.424 nan 8.280 nan 0.000 0.452 287 W N 3.628 125.044 121.300 0.194 0.000 2.216 287 W HA 0.247 4.909 4.660 0.004 0.000 0.326 287 W C -0.506 176.112 176.519 0.164 0.000 1.319 287 W CA -0.409 57.021 57.345 0.142 0.000 1.213 287 W CB 0.460 29.949 29.460 0.048 0.000 1.171 287 W HN 0.399 nan 8.180 nan 0.000 0.557 288 F N 4.600 124.773 119.950 0.371 0.000 2.361 288 F HA 0.371 4.899 4.527 0.003 0.000 0.364 288 F C -0.467 175.424 175.800 0.152 0.000 1.117 288 F CA -0.863 57.226 58.000 0.148 0.000 1.071 288 F CB 0.179 39.324 39.000 0.243 0.000 1.188 288 F HN 0.241 nan 8.300 nan 0.000 0.464 289 N N 4.229 122.782 118.700 -0.244 0.000 2.421 289 N HA 0.463 5.205 4.740 0.003 0.000 0.285 289 N C -1.320 173.981 175.510 -0.348 0.000 1.027 289 N CA -0.595 52.336 53.050 -0.199 0.000 0.918 289 N CB 2.033 40.432 38.487 -0.146 0.000 1.152 289 N HN 0.291 nan 8.380 nan 0.000 0.485 290 V N 1.938 121.706 119.914 -0.243 0.000 2.406 290 V HA 0.462 4.584 4.120 0.003 0.000 0.272 290 V C 0.422 176.318 176.094 -0.329 0.000 1.043 290 V CA -0.332 61.754 62.300 -0.357 0.000 0.915 290 V CB 0.653 32.190 31.823 -0.476 0.000 0.988 290 V HN 0.858 nan 8.190 nan 0.000 0.466 291 T N 1.832 116.162 114.554 -0.373 0.000 2.901 291 T HA 0.796 5.148 4.350 0.003 0.000 0.293 291 T C -1.000 173.435 174.700 -0.442 0.000 1.084 291 T CA -0.637 61.304 62.100 -0.265 0.000 1.008 291 T CB 1.824 70.647 68.868 -0.075 0.000 1.170 291 T HN 0.124 nan 8.240 nan 0.000 0.509 292 F N -0.200 119.783 119.950 0.054 0.000 2.508 292 F HA 0.779 5.308 4.527 0.004 0.000 0.325 292 F C 0.887 176.734 175.800 0.078 0.000 1.090 292 F CA -0.372 57.669 58.000 0.068 0.000 0.945 292 F CB 2.413 41.402 39.000 -0.019 0.000 1.156 292 F HN 1.091 nan 8.300 nan 0.000 0.463 293 G N -0.410 108.560 108.800 0.283 0.000 3.211 293 G HA2 0.486 4.448 3.960 0.003 0.000 0.262 293 G HA3 0.486 4.448 3.960 0.003 0.000 0.262 293 G C 0.462 175.450 174.900 0.146 0.000 1.352 293 G CA -0.613 44.599 45.100 0.186 0.000 1.004 293 G HN 1.252 nan 8.290 nan 0.000 0.559 294 G N -1.210 107.634 108.800 0.072 0.000 2.168 294 G HA2 -0.131 3.831 3.960 0.003 0.000 0.257 294 G HA3 -0.131 3.831 3.960 0.003 0.000 0.257 294 G C 0.518 175.450 174.900 0.053 0.000 0.997 294 G CA 0.989 46.108 45.100 0.031 0.000 0.708 294 G HN 1.565 nan 8.290 nan 0.000 0.520 295 Q N -3.158 116.687 119.800 0.076 0.000 2.439 295 Q HA 0.002 4.344 4.340 0.003 0.000 0.325 295 Q C 1.488 177.551 176.000 0.104 0.000 1.372 295 Q CA 2.168 58.023 55.803 0.086 0.000 0.909 295 Q CB -2.172 26.609 28.738 0.071 0.000 1.167 295 Q HN 2.359 nan 8.270 nan 0.000 0.418 296 A N -1.842 121.040 122.820 0.104 0.000 2.945 296 A HA -0.242 4.080 4.320 0.003 0.000 0.263 296 A C 1.700 179.345 177.584 0.103 0.000 1.293 296 A CA 1.872 53.971 52.037 0.104 0.000 0.944 296 A CB -1.980 17.166 19.000 0.243 0.000 1.093 296 A HN 1.549 nan 8.150 nan 0.000 0.786 297 A N -1.064 121.798 122.820 0.070 0.000 2.067 297 A HA 0.137 4.459 4.320 0.003 0.000 0.219 297 A C 1.747 179.314 177.584 -0.028 0.000 1.158 297 A CA 1.970 54.031 52.037 0.040 0.000 0.661 297 A CB -0.999 17.995 19.000 -0.010 0.000 0.801 297 A HN 2.173 nan 8.150 nan 0.000 0.452 298 c N -3.508 115.062 118.600 -0.050 0.000 2.913 298 c HA 0.656 5.228 4.570 0.003 0.000 0.246 298 c C 0.716 174.800 174.090 -0.010 0.000 1.857 298 c CA -0.474 55.739 56.329 -0.194 0.000 1.690 298 c CB -0.863 41.335 42.510 -0.519 0.000 3.235 298 c HN 1.717 nan 8.230 nan 0.000 0.475 299 G N -0.524 108.264 108.800 -0.021 0.000 2.440 299 G HA2 0.512 4.474 3.960 0.003 0.000 0.684 299 G HA3 0.512 4.474 3.960 0.003 0.000 0.684 299 G C -0.491 173.954 174.900 -0.758 0.000 1.309 299 G CA 0.019 45.015 45.100 -0.172 0.000 0.931 299 G HN 1.956 nan 8.290 nan 0.000 0.612 300 G N -1.412 106.516 108.800 -1.453 0.000 2.606 300 G HA2 0.907 4.869 3.960 0.003 0.000 0.300 300 G HA3 0.907 4.869 3.960 0.003 0.000 0.300 300 G C -0.968 172.808 174.900 -1.874 0.000 1.360 300 G CA 0.819 44.327 45.100 -2.653 0.000 0.783 300 G HN 1.813 nan 8.290 nan 0.000 0.484 301 S N -1.466 113.460 115.700 -1.289 0.000 2.548 301 S HA 0.503 4.975 4.470 0.003 0.000 0.286 301 S C 0.839 175.433 174.600 -0.010 0.000 1.098 301 S CA -0.723 57.269 58.200 -0.345 0.000 0.930 301 S CB 1.487 64.665 63.200 -0.036 0.000 1.070 301 S HN 0.494 nan 8.310 nan 0.000 0.480 302 L N 2.170 123.447 121.223 0.090 0.000 2.552 302 L HA 0.182 4.524 4.340 0.003 0.000 0.227 302 L C 0.846 177.744 176.870 0.046 0.000 1.146 302 L CA 0.221 55.123 54.840 0.104 0.000 0.858 302 L CB -0.323 41.774 42.059 0.064 0.000 0.969 302 L HN 0.498 nan 8.230 nan 0.000 0.451 303 N N 1.485 120.200 118.700 0.025 0.000 2.406 303 N HA 0.093 4.835 4.740 0.003 0.000 0.251 303 N C -1.526 173.977 175.510 -0.012 0.000 1.069 303 N CA -2.031 51.032 53.050 0.021 0.000 0.947 303 N CB 1.289 39.793 38.487 0.028 0.000 1.111 303 N HN -0.106 nan 8.380 nan 0.000 0.497 304 P HA -0.076 nan 4.420 nan 0.000 0.222 304 P C -0.628 176.328 177.300 -0.573 0.000 1.147 304 P CA 1.348 64.259 63.100 -0.315 0.000 0.790 304 P CB 0.240 31.725 31.700 -0.358 0.000 0.780 305 H N -1.167 117.907 119.070 0.007 0.000 2.562 305 H HA 0.316 4.874 4.556 0.004 0.000 0.230 305 H C -2.579 172.709 175.328 -0.067 0.000 1.415 305 H CA -1.889 54.125 56.048 -0.057 0.000 1.454 305 H CB 0.571 30.252 29.762 -0.135 0.000 1.716 305 H HN 0.171 nan 8.280 nan 0.000 0.538 306 P HA 0.437 nan 4.420 nan 0.000 0.275 306 P C -0.434 176.881 177.300 0.026 0.000 1.227 306 P CA -0.170 62.940 63.100 0.018 0.000 0.781 306 P CB 1.428 33.105 31.700 -0.039 0.000 0.906 307 A N 1.332 124.236 122.820 0.140 0.000 2.601 307 A HA 0.784 5.106 4.320 0.003 0.000 0.291 307 A C -1.551 176.322 177.584 0.483 0.000 1.075 307 A CA -0.298 51.893 52.037 0.257 0.000 0.671 307 A CB 1.162 20.173 19.000 0.018 0.000 1.277 307 A HN 0.571 nan 8.150 nan 0.000 0.417 308 A N -0.006 123.175 122.820 0.602 0.000 2.437 308 A HA 0.903 5.225 4.320 0.003 0.000 0.292 308 A C -1.032 176.912 177.584 0.599 0.000 1.173 308 A CA -0.577 51.801 52.037 0.567 0.000 0.785 308 A CB 0.830 20.115 19.000 0.475 0.000 1.351 308 A HN 0.910 nan 8.150 nan 0.000 0.431 309 I N 0.504 121.292 120.570 0.363 0.000 2.362 309 I HA 0.342 4.514 4.170 0.003 0.000 0.289 309 I C -1.448 174.772 176.117 0.173 0.000 0.994 309 I CA -0.078 61.334 61.300 0.187 0.000 1.158 309 I CB 1.285 39.259 38.000 -0.044 0.000 1.315 309 I HN 0.440 nan 8.210 nan 0.000 0.451 310 F N 5.154 125.140 119.950 0.059 0.000 2.361 310 F HA 0.272 4.801 4.527 0.003 0.000 0.364 310 F C 0.279 176.160 175.800 0.135 0.000 1.120 310 F CA -0.571 57.442 58.000 0.023 0.000 1.102 310 F CB 0.387 39.357 39.000 -0.050 0.000 1.183 310 F HN 0.410 nan 8.300 nan 0.000 0.476 311 H N 3.469 122.560 119.070 0.034 0.000 2.519 311 H HA 0.337 4.895 4.556 0.003 0.000 0.316 311 H C -1.238 174.157 175.328 0.111 0.000 1.065 311 H CA -0.704 55.392 56.048 0.081 0.000 1.264 311 H CB 0.415 30.163 29.762 -0.022 0.000 1.413 311 H HN 0.412 nan 8.280 nan 0.000 0.465 312 Y N 3.666 123.765 120.300 -0.334 0.000 2.569 312 Y HA 0.209 4.761 4.550 0.003 0.000 0.332 312 Y C 0.914 176.461 175.900 -0.588 0.000 1.120 312 Y CA 0.250 58.168 58.100 -0.303 0.000 1.416 312 Y CB 0.046 38.451 38.460 -0.093 0.000 1.210 312 Y HN 0.843 nan 8.280 nan 0.000 0.528 313 A N 3.271 125.948 122.820 -0.240 0.000 2.584 313 A HA 0.344 4.666 4.320 0.003 0.000 0.239 313 A C 1.486 179.041 177.584 -0.048 0.000 1.043 313 A CA 0.904 52.875 52.037 -0.110 0.000 0.756 313 A CB -0.889 18.099 19.000 -0.021 0.000 0.963 313 A HN 1.584 nan 8.150 nan 0.000 0.511 314 G N 0.589 109.394 108.800 0.008 0.000 2.176 314 G HA2 0.165 4.127 3.960 0.003 0.000 0.253 314 G HA3 0.165 4.127 3.960 0.003 0.000 0.253 314 G C 0.519 175.439 174.900 0.032 0.000 0.979 314 G CA 0.673 45.795 45.100 0.036 0.000 0.641 314 G HN 2.200 nan 8.290 nan 0.000 0.530 315 A N 0.007 122.824 122.820 -0.006 0.000 2.248 315 A HA 0.896 5.218 4.320 0.003 0.000 0.316 315 A C -1.745 175.943 177.584 0.173 0.000 1.101 315 A CA -1.120 50.936 52.037 0.032 0.000 0.875 315 A CB 0.484 19.457 19.000 -0.044 0.000 1.207 315 A HN 0.158 nan 8.150 nan 0.000 0.504 316 P HA 0.268 nan 4.420 nan 0.000 0.268 316 P C 0.577 177.949 177.300 0.120 0.000 1.208 316 P CA 0.406 63.555 63.100 0.082 0.000 0.777 316 P CB 0.480 32.187 31.700 0.011 0.000 0.875 317 G N 0.193 108.997 108.800 0.006 0.000 2.504 317 G HA2 0.515 4.477 3.960 0.003 0.000 0.257 317 G HA3 0.515 4.477 3.960 0.003 0.000 0.257 317 G C 0.217 175.063 174.900 -0.090 0.000 1.451 317 G CA -0.075 44.960 45.100 -0.109 0.000 1.059 317 G HN 0.854 nan 8.290 nan 0.000 0.550 318 G N -2.165 106.569 108.800 -0.109 0.000 2.760 318 G HA2 -0.071 3.891 3.960 0.003 0.000 0.246 318 G HA3 -0.071 3.891 3.960 0.003 0.000 0.246 318 G C -0.249 174.551 174.900 -0.167 0.000 1.359 318 G CA -0.256 44.785 45.100 -0.099 0.000 0.861 318 G HN 0.874 nan 8.290 nan 0.000 0.541 319 L N 1.141 122.255 121.223 -0.182 0.000 2.375 319 L HA 0.424 4.766 4.340 0.003 0.000 0.271 319 L C -1.606 174.979 176.870 -0.475 0.000 1.107 319 L CA -1.804 52.823 54.840 -0.356 0.000 0.806 319 L CB 0.923 42.865 42.059 -0.194 0.000 1.146 319 L HN 0.366 nan 8.230 nan 0.000 0.447 320 P HA -0.034 nan 4.420 nan 0.000 0.266 320 P C 0.443 177.449 177.300 -0.490 0.000 1.186 320 P CA 0.154 62.735 63.100 -0.866 0.000 0.767 320 P CB 0.490 31.175 31.700 -1.690 0.000 0.820 321 T N -3.326 111.054 114.554 -0.290 0.000 3.001 321 T HA 0.089 4.441 4.350 0.003 0.000 0.251 321 T C 0.327 175.024 174.700 -0.006 0.000 1.040 321 T CA 0.060 62.101 62.100 -0.097 0.000 0.985 321 T CB -0.109 68.700 68.868 -0.098 0.000 1.011 321 T HN 0.227 nan 8.240 nan 0.000 0.509 322 D N 1.827 122.213 120.400 -0.023 0.000 2.396 322 D HA 0.237 4.879 4.640 0.003 0.000 0.225 322 D C 0.836 177.286 176.300 0.250 0.000 1.121 322 D CA -0.324 53.720 54.000 0.073 0.000 0.853 322 D CB 1.307 42.127 40.800 0.034 0.000 1.043 322 D HN 0.294 nan 8.370 nan 0.000 0.500 323 E N 2.144 122.469 120.200 0.208 0.000 2.208 323 E HA 0.096 4.448 4.350 0.003 0.000 0.193 323 E C 1.321 177.992 176.600 0.118 0.000 0.988 323 E CA 0.445 56.945 56.400 0.166 0.000 0.828 323 E CB 0.028 29.737 29.700 0.016 0.000 0.763 323 E HN 0.734 nan 8.360 nan 0.000 0.478 324 G N 1.212 110.076 108.800 0.107 0.000 2.645 324 G HA2 -0.290 3.672 3.960 0.003 0.000 0.246 324 G HA3 -0.290 3.672 3.960 0.003 0.000 0.246 324 G C 0.068 174.994 174.900 0.044 0.000 1.322 324 G CA -0.027 45.122 45.100 0.082 0.000 0.898 324 G HN 0.308 nan 8.290 nan 0.000 0.573 325 T N -0.860 113.715 114.554 0.036 0.000 2.885 325 T HA 0.709 5.061 4.350 0.003 0.000 0.285 325 T C -2.529 172.182 174.700 0.018 0.000 1.019 325 T CA -1.048 61.066 62.100 0.024 0.000 1.010 325 T CB 1.920 70.800 68.868 0.020 0.000 1.022 325 T HN 0.626 nan 8.240 nan 0.000 0.466 326 P HA 0.281 nan 4.420 nan 0.000 0.268 326 P C -2.106 175.204 177.300 0.016 0.000 1.204 326 P CA -0.850 62.263 63.100 0.023 0.000 0.768 326 P CB -0.376 31.344 31.700 0.034 0.000 0.842 327 P HA -0.012 nan 4.420 nan 0.000 0.271 327 P C -0.150 177.159 177.300 0.016 0.000 1.244 327 P CA -0.284 62.831 63.100 0.025 0.000 0.793 327 P CB 0.480 32.215 31.700 0.058 0.000 0.984 328 V N 1.293 121.190 119.914 -0.028 0.000 2.788 328 V HA -0.073 4.049 4.120 0.003 0.000 0.307 328 V C 0.543 176.574 176.094 -0.104 0.000 1.069 328 V CA 0.320 62.554 62.300 -0.110 0.000 1.173 328 V CB -0.170 31.520 31.823 -0.221 0.000 0.925 328 V HN 0.568 nan 8.190 nan 0.000 0.492 329 D N 5.180 125.533 120.400 -0.077 0.000 2.344 329 D HA 0.065 4.707 4.640 0.003 0.000 0.253 329 D C 1.064 177.303 176.300 -0.102 0.000 1.255 329 D CA 0.187 54.177 54.000 -0.017 0.000 0.894 329 D CB 0.336 41.133 40.800 -0.005 0.000 1.067 329 D HN 0.725 nan 8.370 nan 0.000 0.492 330 H N 3.226 122.272 119.070 -0.040 0.000 2.555 330 H HA -0.022 4.536 4.556 0.003 0.000 0.269 330 H C 0.462 175.640 175.328 -0.250 0.000 0.988 330 H CA 0.344 56.313 56.048 -0.130 0.000 1.178 330 H CB 0.510 30.212 29.762 -0.102 0.000 1.373 330 H HN 0.533 nan 8.280 nan 0.000 0.588 331 Q N -0.984 118.766 119.800 -0.084 0.000 2.453 331 Q HA -0.182 4.160 4.340 0.003 0.000 0.294 331 Q C 0.449 176.303 176.000 -0.243 0.000 1.295 331 Q CA 0.829 56.559 55.803 -0.121 0.000 0.853 331 Q CB -2.639 26.035 28.738 -0.107 0.000 1.193 331 Q HN 0.701 nan 8.270 nan 0.000 0.461 332 c N -1.359 117.009 118.600 -0.386 0.000 4.350 332 c HA -0.219 4.353 4.570 0.003 0.000 0.302 332 c C 0.569 174.167 174.090 -0.819 0.000 1.390 332 c CA 0.886 56.855 56.329 -0.599 0.000 2.016 332 c CB -2.174 40.203 42.510 -0.222 0.000 1.271 332 c HN 0.487 nan 8.230 nan 0.000 0.760 333 L N 1.202 121.773 121.223 -1.087 0.000 2.410 333 L HA 0.508 4.850 4.340 0.003 0.000 0.270 333 L C 0.068 176.686 176.870 -0.420 0.000 0.983 333 L CA -0.512 54.010 54.840 -0.531 0.000 0.822 333 L CB 1.486 43.391 42.059 -0.255 0.000 1.285 333 L HN 0.244 nan 8.230 nan 0.000 0.409 334 D N 0.093 120.527 120.400 0.057 0.000 2.344 334 D HA 0.088 4.730 4.640 0.003 0.000 0.244 334 D C 0.110 176.523 176.300 0.189 0.000 1.134 334 D CA -0.360 53.839 54.000 0.331 0.000 0.930 334 D CB 1.366 42.412 40.800 0.410 0.000 1.175 334 D HN 0.314 nan 8.370 nan 0.000 0.437 335 T N 0.103 114.793 114.554 0.227 0.000 2.869 335 T HA 0.249 4.601 4.350 0.003 0.000 0.295 335 T C 0.828 175.607 174.700 0.132 0.000 0.987 335 T CA -0.600 61.587 62.100 0.144 0.000 1.109 335 T CB 0.028 68.967 68.868 0.118 0.000 0.932 335 T HN 0.345 nan 8.240 nan 0.000 0.518 336 L N 3.828 125.100 121.223 0.082 0.000 2.791 336 L HA 0.297 4.639 4.340 0.003 0.000 0.239 336 L C 0.913 177.820 176.870 0.062 0.000 1.203 336 L CA -0.130 54.755 54.840 0.076 0.000 1.002 336 L CB 0.120 42.209 42.059 0.049 0.000 1.295 336 L HN 0.588 nan 8.230 nan 0.000 0.504 337 D N 0.007 120.445 120.400 0.062 0.000 2.354 337 D HA 0.002 4.644 4.640 0.003 0.000 0.209 337 D C 1.026 177.360 176.300 0.056 0.000 1.015 337 D CA 0.411 54.439 54.000 0.047 0.000 0.867 337 D CB 0.362 41.182 40.800 0.033 0.000 0.933 337 D HN 0.159 nan 8.370 nan 0.000 0.520 338 V N -0.166 119.796 119.914 0.081 0.000 2.763 338 V HA 0.302 4.424 4.120 0.003 0.000 0.306 338 V C 0.222 176.359 176.094 0.072 0.000 1.059 338 V CA -0.312 62.041 62.300 0.088 0.000 1.138 338 V CB 0.887 32.792 31.823 0.137 0.000 0.940 338 V HN -0.092 nan 8.190 nan 0.000 0.489 339 R N 3.990 124.528 120.500 0.063 0.000 2.473 339 R HA 0.471 4.813 4.340 0.003 0.000 0.303 339 R C -2.948 173.387 176.300 0.058 0.000 1.002 339 R CA -2.083 54.050 56.100 0.054 0.000 0.884 339 R CB 1.801 32.128 30.300 0.045 0.000 1.173 339 R HN 0.551 nan 8.270 nan 0.000 0.464 340 P HA -0.026 nan 4.420 nan 0.000 0.266 340 P C 1.139 178.483 177.300 0.073 0.000 1.195 340 P CA -0.114 63.027 63.100 0.069 0.000 0.768 340 P CB 0.859 32.603 31.700 0.073 0.000 0.838 341 V N 2.916 122.883 119.914 0.089 0.000 2.261 341 V HA -0.145 3.977 4.120 0.003 0.000 0.246 341 V C 1.172 177.323 176.094 0.095 0.000 1.047 341 V CA 1.588 63.946 62.300 0.096 0.000 1.015 341 V CB -0.429 31.466 31.823 0.119 0.000 0.642 341 V HN 0.313 nan 8.190 nan 0.000 0.446 342 V N 3.845 123.826 119.914 0.112 0.000 2.405 342 V HA 0.204 4.326 4.120 0.003 0.000 0.264 342 V C -1.825 174.296 176.094 0.045 0.000 1.048 342 V CA -1.249 61.092 62.300 0.069 0.000 0.966 342 V CB 0.534 32.371 31.823 0.024 0.000 1.015 342 V HN 0.412 nan 8.190 nan 0.000 0.477 343 P HA 0.506 nan 4.420 nan 0.000 0.278 343 P C -0.788 176.537 177.300 0.041 0.000 1.258 343 P CA -0.732 62.391 63.100 0.038 0.000 0.811 343 P CB 1.354 33.074 31.700 0.033 0.000 1.063 344 R N -0.031 120.490 120.500 0.035 0.000 2.795 344 R HA 0.674 5.016 4.340 0.003 0.000 0.275 344 R C -0.643 175.631 176.300 -0.042 0.000 0.981 344 R CA -0.756 55.369 56.100 0.041 0.000 0.917 344 R CB 1.873 32.229 30.300 0.092 0.000 1.202 344 R HN 0.582 nan 8.270 nan 0.000 0.469 345 S N 0.662 116.314 115.700 -0.080 0.000 2.614 345 S HA 0.632 5.104 4.470 0.003 0.000 0.288 345 S C -0.785 173.653 174.600 -0.271 0.000 1.137 345 S CA -0.581 57.539 58.200 -0.133 0.000 0.992 345 S CB 1.028 64.197 63.200 -0.051 0.000 1.026 345 S HN 0.435 nan 8.310 nan 0.000 0.486 346 V N 1.774 121.487 119.914 -0.336 0.000 2.962 346 V HA 0.883 5.005 4.120 0.003 0.000 0.313 346 V C -2.859 173.152 176.094 -0.137 0.000 1.099 346 V CA -2.410 59.659 62.300 -0.385 0.000 0.971 346 V CB 1.576 32.958 31.823 -0.735 0.000 1.028 346 V HN 0.758 nan 8.190 nan 0.000 0.430 347 P HA 0.389 nan 4.420 nan 0.000 0.279 347 P C 0.342 177.660 177.300 0.029 0.000 1.239 347 P CA 0.005 63.101 63.100 -0.006 0.000 0.789 347 P CB 1.775 33.469 31.700 -0.011 0.000 0.933 348 V N -0.693 119.230 119.914 0.015 0.000 3.562 348 V HA 0.057 4.179 4.120 0.003 0.000 0.270 348 V C 1.716 177.829 176.094 0.033 0.000 1.418 348 V CA 0.526 62.849 62.300 0.038 0.000 1.033 348 V CB -0.783 31.074 31.823 0.057 0.000 0.820 348 V HN 0.457 nan 8.190 nan 0.000 0.441 349 N N 3.034 121.740 118.700 0.010 0.000 2.309 349 N HA -0.164 4.578 4.740 0.003 0.000 0.182 349 N C 1.548 177.054 175.510 -0.007 0.000 1.018 349 N CA 1.928 54.986 53.050 0.012 0.000 0.876 349 N CB -0.486 38.000 38.487 -0.001 0.000 0.972 349 N HN 0.661 nan 8.380 nan 0.000 0.434 350 S N -0.415 115.252 115.700 -0.055 0.000 2.527 350 S HA 0.069 4.541 4.470 0.003 0.000 0.222 350 S C 0.500 175.008 174.600 -0.154 0.000 0.985 350 S CA -0.689 57.447 58.200 -0.106 0.000 0.921 350 S CB -0.684 62.435 63.200 -0.134 0.000 0.772 350 S HN 0.342 nan 8.310 nan 0.000 0.529 351 F N 3.465 123.252 119.950 -0.272 0.000 2.608 351 F HA 0.354 4.883 4.527 0.003 0.000 0.380 351 F C -0.451 175.245 175.800 -0.173 0.000 1.083 351 F CA -0.266 57.543 58.000 -0.318 0.000 1.266 351 F CB 0.446 39.264 39.000 -0.303 0.000 1.076 351 F HN -0.121 nan 8.300 nan 0.000 0.574 352 V N 6.970 126.235 119.914 -1.081 0.000 2.531 352 V HA 0.235 4.357 4.120 0.003 0.000 0.301 352 V C -0.317 175.068 176.094 -1.182 0.000 1.034 352 V CA -1.374 60.407 62.300 -0.866 0.000 0.865 352 V CB 1.622 33.188 31.823 -0.427 0.000 0.995 352 V HN 0.722 nan 8.190 nan 0.000 0.424 353 K N 5.243 125.162 120.400 -0.801 0.000 2.379 353 K HA 0.541 4.863 4.320 0.003 0.000 0.284 353 K C -0.504 175.945 176.600 -0.251 0.000 1.044 353 K CA -0.177 55.834 56.287 -0.461 0.000 0.974 353 K CB 0.568 32.994 32.500 -0.123 0.000 0.962 353 K HN 0.735 nan 8.250 nan 0.000 0.474 354 R N 3.777 124.169 120.500 -0.181 0.000 2.707 354 R HA 0.215 4.557 4.340 0.003 0.000 0.272 354 R C -2.183 174.101 176.300 -0.027 0.000 1.011 354 R CA -1.925 54.112 56.100 -0.106 0.000 0.893 354 R CB 1.455 31.672 30.300 -0.138 0.000 1.233 354 R HN 0.361 nan 8.270 nan 0.000 0.464 355 P HA -0.223 nan 4.420 nan 0.000 0.217 355 P C 0.459 177.809 177.300 0.084 0.000 1.151 355 P CA 1.500 64.628 63.100 0.047 0.000 0.849 355 P CB 0.136 31.860 31.700 0.039 0.000 0.787 356 D N -1.319 119.117 120.400 0.061 0.000 2.349 356 D HA -0.083 4.559 4.640 0.003 0.000 0.224 356 D C 0.701 177.084 176.300 0.139 0.000 1.029 356 D CA 0.475 54.542 54.000 0.112 0.000 0.879 356 D CB -1.108 39.735 40.800 0.073 0.000 0.906 356 D HN 0.244 nan 8.370 nan 0.000 0.528 357 N N -0.992 117.752 118.700 0.073 0.000 2.197 357 N HA 0.052 4.794 4.740 0.003 0.000 0.228 357 N C -0.847 174.833 175.510 0.282 0.000 1.212 357 N CA -0.377 52.699 53.050 0.045 0.000 0.883 357 N CB 0.302 38.686 38.487 -0.172 0.000 1.107 357 N HN -0.162 nan 8.380 nan 0.000 0.519 358 T N 1.200 115.915 114.554 0.268 0.000 2.792 358 T HA 0.451 4.803 4.350 0.003 0.000 0.280 358 T C -0.403 174.450 174.700 0.256 0.000 0.990 358 T CA -0.509 61.736 62.100 0.241 0.000 0.960 358 T CB 1.499 70.454 68.868 0.145 0.000 0.939 358 T HN 0.076 nan 8.240 nan 0.000 0.439 359 L N 5.464 126.846 121.223 0.266 0.000 2.426 359 L HA 0.333 4.675 4.340 0.003 0.000 0.255 359 L C -2.381 174.591 176.870 0.170 0.000 1.080 359 L CA -2.107 52.863 54.840 0.218 0.000 0.960 359 L CB 0.755 42.975 42.059 0.267 0.000 1.326 359 L HN 0.302 nan 8.230 nan 0.000 0.441 360 P HA 0.109 nan 4.420 nan 0.000 0.276 360 P C -0.270 177.093 177.300 0.105 0.000 1.253 360 P CA -0.068 63.107 63.100 0.126 0.000 0.766 360 P CB 1.199 32.965 31.700 0.111 0.000 0.845 361 V N 3.546 123.525 119.914 0.107 0.000 2.465 361 V HA 0.661 4.783 4.120 0.003 0.000 0.279 361 V C 0.494 176.680 176.094 0.154 0.000 1.045 361 V CA -0.270 62.087 62.300 0.094 0.000 0.938 361 V CB 0.901 32.730 31.823 0.009 0.000 0.986 361 V HN 0.708 nan 8.190 nan 0.000 0.467 362 A N 4.759 127.684 122.820 0.175 0.000 2.455 362 A HA 0.776 5.098 4.320 0.003 0.000 0.300 362 A C -1.267 176.372 177.584 0.092 0.000 1.040 362 A CA -0.612 51.510 52.037 0.141 0.000 0.697 362 A CB 1.504 20.552 19.000 0.079 0.000 1.265 362 A HN 0.803 nan 8.150 nan 0.000 0.407 363 L N 1.754 122.944 121.223 -0.055 0.000 2.281 363 L HA 0.542 4.884 4.340 0.003 0.000 0.285 363 L C -0.614 176.138 176.870 -0.197 0.000 1.074 363 L CA 0.093 54.697 54.840 -0.393 0.000 0.817 363 L CB 0.867 42.505 42.059 -0.701 0.000 1.168 363 L HN 0.650 nan 8.230 nan 0.000 0.434 364 D N 4.313 124.597 120.400 -0.193 0.000 2.329 364 D HA 0.264 4.906 4.640 0.003 0.000 0.232 364 D C 0.282 176.501 176.300 -0.136 0.000 1.088 364 D CA -0.059 53.871 54.000 -0.118 0.000 0.835 364 D CB 0.935 41.685 40.800 -0.083 0.000 1.078 364 D HN 0.608 nan 8.370 nan 0.000 0.495 365 L N 2.904 124.057 121.223 -0.117 0.000 2.728 365 L HA 0.137 4.479 4.340 0.003 0.000 0.238 365 L C 1.887 178.672 176.870 -0.142 0.000 1.143 365 L CA 0.147 54.894 54.840 -0.155 0.000 0.937 365 L CB 0.128 42.109 42.059 -0.131 0.000 1.225 365 L HN 0.464 nan 8.230 nan 0.000 0.507 366 T N -3.767 110.723 114.554 -0.106 0.000 3.051 366 T HA 0.173 4.525 4.350 0.003 0.000 0.255 366 T C 1.131 175.779 174.700 -0.086 0.000 1.085 366 T CA 0.478 62.527 62.100 -0.086 0.000 1.109 366 T CB 0.216 69.049 68.868 -0.059 0.000 0.921 366 T HN 0.212 nan 8.240 nan 0.000 0.488 367 G N 0.756 109.502 108.800 -0.090 0.000 2.695 367 G HA2 0.548 4.510 3.960 0.003 0.000 0.213 367 G HA3 0.548 4.510 3.960 0.003 0.000 0.213 367 G C -0.983 173.862 174.900 -0.093 0.000 1.406 367 G CA -0.544 44.510 45.100 -0.077 0.000 1.049 367 G HN 0.328 nan 8.290 nan 0.000 0.573 368 T N 1.986 116.494 114.554 -0.077 0.000 2.841 368 T HA 0.572 4.924 4.350 0.003 0.000 0.285 368 T C -1.966 172.693 174.700 -0.070 0.000 0.991 368 T CA -0.550 61.501 62.100 -0.082 0.000 0.966 368 T CB 1.959 70.791 68.868 -0.060 0.000 0.962 368 T HN 0.525 nan 8.240 nan 0.000 0.438 369 P HA 0.353 nan 4.420 nan 0.000 0.297 369 P C 1.043 178.227 177.300 -0.194 0.000 1.303 369 P CA -0.709 62.309 63.100 -0.136 0.000 0.753 369 P CB 0.707 32.327 31.700 -0.134 0.000 1.281 370 L N -0.972 120.063 121.223 -0.314 0.000 2.017 370 L HA 0.042 4.384 4.340 0.003 0.000 0.208 370 L C 0.747 177.329 176.870 -0.481 0.000 1.073 370 L CA 1.588 56.132 54.840 -0.492 0.000 0.745 370 L CB -0.919 40.653 42.059 -0.810 0.000 0.894 370 L HN 0.148 nan 8.230 nan 0.000 0.432 371 F N 0.160 120.002 119.950 -0.180 0.000 2.303 371 F HA 0.460 4.989 4.527 0.003 0.000 0.368 371 F C -0.187 175.475 175.800 -0.230 0.000 1.105 371 F CA -0.897 56.954 58.000 -0.249 0.000 1.153 371 F CB 0.481 39.377 39.000 -0.173 0.000 1.362 371 F HN -0.391 nan 8.300 nan 0.000 0.511 372 V N 2.701 122.530 119.914 -0.142 0.000 2.531 372 V HA 0.351 4.473 4.120 0.003 0.000 0.301 372 V C -0.958 175.022 176.094 -0.191 0.000 1.034 372 V CA -1.221 61.029 62.300 -0.082 0.000 0.865 372 V CB 1.586 33.380 31.823 -0.049 0.000 0.995 372 V HN 0.586 nan 8.190 nan 0.000 0.424 373 W N 3.860 125.173 121.300 0.022 0.000 2.433 373 W HA 0.662 5.323 4.660 0.003 0.000 0.315 373 W C 0.173 176.673 176.519 -0.032 0.000 1.087 373 W CA -0.550 56.782 57.345 -0.021 0.000 1.205 373 W CB 1.349 30.770 29.460 -0.065 0.000 1.288 373 W HN 0.281 nan 8.180 nan 0.000 0.504 374 K N 2.378 122.895 120.400 0.195 0.000 2.378 374 K HA 0.648 4.970 4.320 0.003 0.000 0.252 374 K C -1.275 175.376 176.600 0.085 0.000 0.931 374 K CA -1.054 55.291 56.287 0.098 0.000 0.794 374 K CB 2.543 35.074 32.500 0.052 0.000 1.181 374 K HN 0.159 nan 8.250 nan 0.000 0.425 375 V N 2.678 122.617 119.914 0.042 0.000 2.448 375 V HA 0.169 4.291 4.120 0.003 0.000 0.295 375 V C 0.333 176.443 176.094 0.026 0.000 1.025 375 V CA -0.828 61.488 62.300 0.027 0.000 0.859 375 V CB 1.173 32.989 31.823 -0.012 0.000 0.988 375 V HN 0.920 nan 8.190 nan 0.000 0.431 376 N N 3.291 122.019 118.700 0.047 0.000 2.721 376 N HA -0.216 4.526 4.740 0.003 0.000 0.249 376 N C 1.079 176.610 175.510 0.035 0.000 1.072 376 N CA 1.927 55.006 53.050 0.048 0.000 0.710 376 N CB -1.022 37.493 38.487 0.047 0.000 0.993 376 N HN 1.636 nan 8.380 nan 0.000 0.547 377 G N -2.676 106.145 108.800 0.035 0.000 2.176 377 G HA2 -0.208 3.753 3.960 0.003 0.000 0.253 377 G HA3 -0.208 3.753 3.960 0.003 0.000 0.253 377 G C -0.043 174.867 174.900 0.016 0.000 0.979 377 G CA 0.692 45.808 45.100 0.025 0.000 0.641 377 G HN 1.275 nan 8.290 nan 0.000 0.530 378 S N 1.116 116.823 115.700 0.012 0.000 2.557 378 S HA 0.529 5.001 4.470 0.003 0.000 0.291 378 S C -0.759 173.843 174.600 0.004 0.000 1.116 378 S CA 0.027 58.227 58.200 0.001 0.000 0.992 378 S CB 1.189 64.383 63.200 -0.011 0.000 1.028 378 S HN 0.504 nan 8.310 nan 0.000 0.484 379 D N 4.117 124.521 120.400 0.007 0.000 2.312 379 D HA 0.179 4.821 4.640 0.003 0.000 0.252 379 D C 0.441 176.730 176.300 -0.018 0.000 1.150 379 D CA -0.412 53.598 54.000 0.017 0.000 0.870 379 D CB 0.761 41.581 40.800 0.033 0.000 1.153 379 D HN 0.560 nan 8.370 nan 0.000 0.457 380 I N 1.608 122.158 120.570 -0.033 0.000 2.692 380 I HA -0.022 4.150 4.170 0.003 0.000 0.284 380 I C -0.210 175.855 176.117 -0.086 0.000 1.159 380 I CA 0.267 61.523 61.300 -0.074 0.000 1.423 380 I CB 0.355 38.295 38.000 -0.099 0.000 1.380 380 I HN 0.363 nan 8.210 nan 0.000 0.580 381 N N 6.392 125.025 118.700 -0.112 0.000 2.629 381 N HA 0.252 4.994 4.740 0.003 0.000 0.277 381 N C -1.124 174.281 175.510 -0.175 0.000 1.188 381 N CA -0.556 52.405 53.050 -0.149 0.000 0.835 381 N CB 1.232 39.648 38.487 -0.118 0.000 1.420 381 N HN 0.344 nan 8.380 nan 0.000 0.542 382 V N 0.116 119.890 119.914 -0.235 0.000 2.904 382 V HA 0.618 4.740 4.120 0.003 0.000 0.305 382 V C 0.068 176.006 176.094 -0.260 0.000 1.067 382 V CA -0.538 61.638 62.300 -0.207 0.000 1.044 382 V CB 1.540 33.254 31.823 -0.181 0.000 1.050 382 V HN 0.568 nan 8.190 nan 0.000 0.475 383 D N 2.770 123.098 120.400 -0.121 0.000 2.412 383 D HA 0.253 4.895 4.640 0.003 0.000 0.224 383 D C 0.486 176.803 176.300 0.029 0.000 1.093 383 D CA -0.524 53.427 54.000 -0.081 0.000 0.850 383 D CB 0.776 41.597 40.800 0.036 0.000 1.046 383 D HN 0.682 nan 8.370 nan 0.000 0.507 384 W N 2.682 123.921 121.300 -0.102 0.000 2.364 384 W HA -0.007 4.653 4.660 0.001 0.000 0.281 384 W C 1.873 178.349 176.519 -0.072 0.000 1.219 384 W CA 1.062 58.310 57.345 -0.163 0.000 1.220 384 W CB -0.675 28.647 29.460 -0.231 0.000 1.127 384 W HN 0.593 nan 8.180 nan 0.000 0.556 385 G N -0.650 108.325 108.800 0.291 0.000 3.042 385 G HA2 -0.017 3.945 3.960 0.003 0.000 0.212 385 G HA3 -0.017 3.945 3.960 0.003 0.000 0.212 385 G C 0.574 175.576 174.900 0.170 0.000 1.166 385 G CA -0.059 45.219 45.100 0.297 0.000 0.767 385 G HN 0.091 nan 8.290 nan 0.000 0.546 386 K N 0.921 121.414 120.400 0.155 0.000 2.950 386 K HA 0.311 4.633 4.320 0.003 0.000 0.199 386 K C -2.969 173.786 176.600 0.258 0.000 1.144 386 K CA -1.421 54.960 56.287 0.157 0.000 0.983 386 K CB 2.068 34.623 32.500 0.091 0.000 1.187 386 K HN -0.071 nan 8.250 nan 0.000 0.595 387 P HA 0.019 nan 4.420 nan 0.000 0.270 387 P C 1.148 178.669 177.300 0.367 0.000 1.223 387 P CA -0.561 62.714 63.100 0.292 0.000 0.785 387 P CB 0.583 32.502 31.700 0.364 0.000 0.923 388 I N 1.274 121.966 120.570 0.204 0.000 2.248 388 I HA -0.222 3.950 4.170 0.003 0.000 0.248 388 I C 2.000 178.204 176.117 0.144 0.000 1.107 388 I CA 1.678 63.053 61.300 0.125 0.000 1.373 388 I CB -1.216 36.698 38.000 -0.142 0.000 1.055 388 I HN 0.368 nan 8.210 nan 0.000 0.418 389 I N 0.801 121.387 120.570 0.027 0.000 2.264 389 I HA -0.298 3.874 4.170 0.003 0.000 0.248 389 I C 2.317 178.319 176.117 -0.191 0.000 1.111 389 I CA 1.550 62.724 61.300 -0.209 0.000 1.382 389 I CB -1.352 36.336 38.000 -0.521 0.000 1.060 389 I HN 0.256 nan 8.210 nan 0.000 0.418 390 D N 0.077 120.552 120.400 0.125 0.000 2.123 390 D HA -0.239 4.403 4.640 0.003 0.000 0.196 390 D C 2.196 178.550 176.300 0.090 0.000 0.992 390 D CA 1.512 55.623 54.000 0.185 0.000 0.833 390 D CB -0.068 40.909 40.800 0.295 0.000 0.954 390 D HN 0.304 nan 8.370 nan 0.000 0.455 391 Y N 0.099 120.457 120.300 0.096 0.000 2.181 391 Y HA -0.108 4.443 4.550 0.003 0.000 0.288 391 Y C 2.332 178.281 175.900 0.082 0.000 1.146 391 Y CA 0.544 58.713 58.100 0.115 0.000 1.164 391 Y CB -0.229 38.380 38.460 0.249 0.000 0.982 391 Y HN 0.091 nan 8.280 nan 0.000 0.515 392 I N -0.209 120.491 120.570 0.218 0.000 2.226 392 I HA -0.278 3.894 4.170 0.003 0.000 0.245 392 I C 2.061 178.196 176.117 0.031 0.000 1.100 392 I CA 1.631 62.993 61.300 0.103 0.000 1.374 392 I CB -1.120 36.886 38.000 0.009 0.000 1.057 392 I HN 0.290 nan 8.210 nan 0.000 0.413 393 L N 0.286 121.495 121.223 -0.023 0.000 2.465 393 L HA -0.112 4.230 4.340 0.003 0.000 0.224 393 L C 1.940 178.809 176.870 -0.001 0.000 1.145 393 L CA 1.292 56.108 54.840 -0.040 0.000 0.834 393 L CB -0.535 41.466 42.059 -0.095 0.000 0.944 393 L HN 0.372 nan 8.230 nan 0.000 0.451 394 T N -4.844 109.719 114.554 0.014 0.000 3.085 394 T HA 0.267 4.619 4.350 0.003 0.000 0.264 394 T C 1.287 175.997 174.700 0.017 0.000 1.019 394 T CA 0.266 62.371 62.100 0.008 0.000 0.910 394 T CB 0.667 69.525 68.868 -0.016 0.000 1.059 394 T HN 0.304 nan 8.240 nan 0.000 0.542 395 G N 2.170 110.993 108.800 0.038 0.000 2.249 395 G HA2 -0.267 3.695 3.960 0.003 0.000 0.273 395 G HA3 -0.267 3.695 3.960 0.003 0.000 0.273 395 G C -0.127 174.793 174.900 0.033 0.000 1.036 395 G CA 0.017 45.141 45.100 0.039 0.000 0.824 395 G HN 0.711 nan 8.290 nan 0.000 0.504 396 N N 0.437 119.175 118.700 0.063 0.000 2.439 396 N HA 0.404 5.146 4.740 0.003 0.000 0.249 396 N C 1.452 176.951 175.510 -0.019 0.000 1.003 396 N CA 0.314 53.396 53.050 0.054 0.000 0.942 396 N CB 0.966 39.506 38.487 0.089 0.000 1.115 396 N HN 0.311 nan 8.380 nan 0.000 0.505 397 T N -1.051 113.380 114.554 -0.205 0.000 3.122 397 T HA 0.121 4.473 4.350 0.003 0.000 0.250 397 T C 0.360 174.545 174.700 -0.857 0.000 1.067 397 T CA -0.215 61.517 62.100 -0.612 0.000 0.966 397 T CB -0.207 68.492 68.868 -0.282 0.000 1.002 397 T HN 0.218 nan 8.240 nan 0.000 0.542 398 S N 2.499 117.944 115.700 -0.426 0.000 3.983 398 S HA 0.298 4.770 4.470 0.003 0.000 0.194 398 S C -0.698 173.771 174.600 -0.218 0.000 1.464 398 S CA -0.792 57.264 58.200 -0.240 0.000 1.021 398 S CB -1.004 62.170 63.200 -0.043 0.000 1.424 398 S HN 0.493 nan 8.310 nan 0.000 0.473 399 Y N 1.810 122.025 120.300 -0.141 0.000 2.526 399 Y HA 0.256 4.808 4.550 0.003 0.000 0.330 399 Y C -1.851 173.941 175.900 -0.180 0.000 1.156 399 Y CA -2.771 55.115 58.100 -0.357 0.000 1.419 399 Y CB -0.984 37.267 38.460 -0.348 0.000 1.250 399 Y HN 0.275 nan 8.280 nan 0.000 0.540 400 P HA 0.013 nan 4.420 nan 0.000 0.269 400 P C 0.840 178.137 177.300 -0.005 0.000 1.209 400 P CA -0.171 62.934 63.100 0.009 0.000 0.776 400 P CB 0.861 32.574 31.700 0.022 0.000 0.876 401 V N 1.823 121.737 119.914 -0.000 0.000 2.278 401 V HA -0.297 3.825 4.120 0.003 0.000 0.251 401 V C 2.346 178.423 176.094 -0.028 0.000 1.062 401 V CA 2.763 65.059 62.300 -0.008 0.000 1.038 401 V CB -1.459 30.363 31.823 -0.002 0.000 0.646 401 V HN 0.805 nan 8.190 nan 0.000 0.447 402 S N -0.631 115.049 115.700 -0.033 0.000 2.469 402 S HA -0.224 4.248 4.470 0.003 0.000 0.238 402 S C 1.504 176.058 174.600 -0.077 0.000 0.998 402 S CA 1.494 59.664 58.200 -0.050 0.000 0.957 402 S CB -0.555 62.616 63.200 -0.049 0.000 0.764 402 S HN 0.658 nan 8.310 nan 0.000 0.514 403 D N 1.879 122.227 120.400 -0.087 0.000 2.371 403 D HA 0.010 4.652 4.640 0.003 0.000 0.221 403 D C -0.047 176.165 176.300 -0.147 0.000 0.986 403 D CA 0.318 54.239 54.000 -0.130 0.000 0.899 403 D CB -0.462 40.239 40.800 -0.165 0.000 0.902 403 D HN 0.368 nan 8.370 nan 0.000 0.530 404 N N 0.895 119.526 118.700 -0.115 0.000 2.707 404 N HA -0.183 4.559 4.740 0.003 0.000 0.253 404 N C -0.435 174.969 175.510 -0.176 0.000 0.998 404 N CA 0.421 53.395 53.050 -0.127 0.000 0.751 404 N CB -1.141 37.269 38.487 -0.129 0.000 0.920 404 N HN 0.346 nan 8.380 nan 0.000 0.539 405 I N 0.552 121.021 120.570 -0.168 0.000 2.452 405 I HA 0.051 4.223 4.170 0.003 0.000 0.287 405 I C 0.716 176.756 176.117 -0.129 0.000 1.079 405 I CA -0.102 61.074 61.300 -0.206 0.000 1.387 405 I CB 0.662 38.487 38.000 -0.291 0.000 1.404 405 I HN -0.159 nan 8.210 nan 0.000 0.522 406 V N 7.341 127.167 119.914 -0.146 0.000 2.293 406 V HA 0.224 4.346 4.120 0.003 0.000 0.275 406 V C 0.316 176.480 176.094 0.117 0.000 1.021 406 V CA -0.692 61.590 62.300 -0.029 0.000 0.815 406 V CB 1.102 32.813 31.823 -0.188 0.000 1.025 406 V HN 0.711 nan 8.190 nan 0.000 0.448 407 Q N 3.529 123.407 119.800 0.129 0.000 2.288 407 Q HA 0.500 4.842 4.340 0.003 0.000 0.258 407 Q C -1.135 175.000 176.000 0.224 0.000 0.957 407 Q CA -0.234 55.657 55.803 0.148 0.000 0.919 407 Q CB 1.534 30.346 28.738 0.124 0.000 1.185 407 Q HN 0.601 nan 8.270 nan 0.000 0.408 408 V N 5.207 125.265 119.914 0.239 0.000 2.325 408 V HA 0.130 4.252 4.120 0.003 0.000 0.280 408 V C -0.272 175.923 176.094 0.168 0.000 1.016 408 V CA -0.548 61.902 62.300 0.250 0.000 0.818 408 V CB 1.368 33.376 31.823 0.310 0.000 1.019 408 V HN 0.877 nan 8.190 nan 0.000 0.434 409 D N 2.801 123.277 120.400 0.127 0.000 2.327 409 D HA 0.143 4.785 4.640 0.003 0.000 0.205 409 D C 1.372 177.713 176.300 0.070 0.000 0.989 409 D CA 0.548 54.605 54.000 0.095 0.000 0.873 409 D CB 0.607 41.456 40.800 0.082 0.000 0.955 409 D HN 0.665 nan 8.370 nan 0.000 0.515 410 A N 1.071 123.923 122.820 0.054 0.000 2.587 410 A HA 0.114 4.436 4.320 0.003 0.000 0.235 410 A C 0.345 177.941 177.584 0.021 0.000 1.044 410 A CA 0.192 52.242 52.037 0.023 0.000 0.754 410 A CB 0.319 19.315 19.000 -0.007 0.000 0.968 410 A HN -0.017 nan 8.150 nan 0.000 0.509 411 V N 3.760 123.681 119.914 0.012 0.000 2.333 411 V HA 0.259 4.381 4.120 0.003 0.000 0.274 411 V C 0.520 176.602 176.094 -0.019 0.000 1.028 411 V CA 0.532 62.839 62.300 0.012 0.000 0.851 411 V CB 0.615 32.450 31.823 0.019 0.000 1.000 411 V HN 1.120 nan 8.190 nan 0.000 0.456 412 D N 3.266 123.644 120.400 -0.037 0.000 2.708 412 D HA -0.197 4.445 4.640 0.003 0.000 0.236 412 D C 0.240 176.440 176.300 -0.166 0.000 1.146 412 D CA 1.224 55.165 54.000 -0.098 0.000 0.662 412 D CB -0.382 40.379 40.800 -0.066 0.000 1.059 412 D HN 0.800 nan 8.370 nan 0.000 0.428 413 Q N -0.935 118.764 119.800 -0.170 0.000 2.301 413 Q HA 0.513 4.855 4.340 0.003 0.000 0.267 413 Q C -0.401 175.434 176.000 -0.275 0.000 1.035 413 Q CA -0.941 54.766 55.803 -0.160 0.000 0.856 413 Q CB 0.888 29.598 28.738 -0.047 0.000 1.337 413 Q HN 0.263 nan 8.270 nan 0.000 0.450 414 W N 1.803 123.043 121.300 -0.101 0.000 2.303 414 W HA 0.162 4.824 4.660 0.003 0.000 0.318 414 W C 0.331 176.680 176.519 -0.285 0.000 1.362 414 W CA 0.026 57.237 57.345 -0.223 0.000 1.234 414 W CB 0.679 30.028 29.460 -0.185 0.000 1.248 414 W HN 0.412 nan 8.180 nan 0.000 0.546 415 T N 0.889 115.262 114.554 -0.302 0.000 2.856 415 T HA 0.555 4.907 4.350 0.003 0.000 0.283 415 T C -1.215 173.046 174.700 -0.731 0.000 1.008 415 T CA -0.852 60.971 62.100 -0.461 0.000 0.997 415 T CB 1.137 69.671 68.868 -0.558 0.000 0.992 415 T HN 0.186 nan 8.240 nan 0.000 0.454 416 Y N 0.687 120.512 120.300 -0.792 0.000 2.364 416 Y HA 0.616 5.168 4.550 0.003 0.000 0.340 416 Y C -0.875 174.493 175.900 -0.887 0.000 0.975 416 Y CA -1.210 56.534 58.100 -0.592 0.000 1.089 416 Y CB 1.666 40.008 38.460 -0.197 0.000 1.192 416 Y HN 0.723 nan 8.280 nan 0.000 0.454 417 W N 5.166 126.468 121.300 0.003 0.000 2.647 417 W HA 0.560 5.222 4.660 0.004 0.000 0.328 417 W C -1.506 175.001 176.519 -0.020 0.000 1.018 417 W CA -0.695 56.668 57.345 0.029 0.000 1.245 417 W CB 1.488 30.951 29.460 0.005 0.000 1.356 417 W HN 0.269 nan 8.180 nan 0.000 0.443 418 L N 5.369 126.727 121.223 0.225 0.000 2.262 418 L HA 0.624 4.966 4.340 0.003 0.000 0.288 418 L C -0.878 176.131 176.870 0.232 0.000 1.035 418 L CA -0.567 54.339 54.840 0.109 0.000 0.820 418 L CB 0.194 42.234 42.059 -0.032 0.000 1.204 418 L HN 0.319 nan 8.230 nan 0.000 0.424 419 I N 4.431 125.157 120.570 0.261 0.000 2.336 419 I HA 0.366 4.538 4.170 0.003 0.000 0.292 419 I C -0.016 176.266 176.117 0.277 0.000 0.991 419 I CA -0.086 61.379 61.300 0.274 0.000 1.227 419 I CB 1.296 39.472 38.000 0.294 0.000 1.366 419 I HN 0.548 nan 8.210 nan 0.000 0.466 420 E N 4.325 124.669 120.200 0.241 0.000 2.145 420 E HA 0.229 4.581 4.350 0.003 0.000 0.270 420 E C -0.526 176.205 176.600 0.217 0.000 0.906 420 E CA -0.659 55.898 56.400 0.261 0.000 0.761 420 E CB 1.235 31.068 29.700 0.221 0.000 1.116 420 E HN 0.327 nan 8.360 nan 0.000 0.408 421 N N 3.388 122.229 118.700 0.234 0.000 3.245 421 N HA -0.018 4.724 4.740 0.003 0.000 0.296 421 N C -0.732 174.895 175.510 0.196 0.000 1.254 421 N CA 0.131 53.306 53.050 0.209 0.000 1.190 421 N CB -0.305 38.309 38.487 0.211 0.000 1.460 421 N HN 0.485 nan 8.380 nan 0.000 0.538 422 D N 0.393 120.903 120.400 0.182 0.000 2.686 422 D HA -0.164 4.478 4.640 0.003 0.000 0.235 422 D C -1.431 174.948 176.300 0.132 0.000 1.160 422 D CA 0.145 54.239 54.000 0.158 0.000 0.645 422 D CB 0.062 40.974 40.800 0.186 0.000 1.039 422 D HN 0.399 nan 8.370 nan 0.000 0.423 423 P HA -0.149 nan 4.420 nan 0.000 0.221 423 P C 0.882 178.235 177.300 0.087 0.000 1.145 423 P CA 1.071 64.247 63.100 0.127 0.000 0.795 423 P CB 0.323 32.120 31.700 0.161 0.000 0.775 424 E N -0.602 119.649 120.200 0.084 0.000 2.481 424 E HA 0.169 4.521 4.350 0.003 0.000 0.198 424 E C 1.372 178.009 176.600 0.061 0.000 1.027 424 E CA 0.001 56.440 56.400 0.064 0.000 0.900 424 E CB -0.045 29.690 29.700 0.059 0.000 0.993 424 E HN 0.173 nan 8.360 nan 0.000 0.482 425 G N 2.740 111.584 108.800 0.074 0.000 2.684 425 G HA2 0.139 4.101 3.960 0.003 0.000 0.255 425 G HA3 0.139 4.101 3.960 0.003 0.000 0.255 425 G C -1.303 173.651 174.900 0.090 0.000 1.219 425 G CA -0.738 44.409 45.100 0.078 0.000 0.901 425 G HN -0.063 nan 8.290 nan 0.000 0.548 426 P HA 0.075 nan 4.420 nan 0.000 0.229 426 P C -0.183 177.263 177.300 0.242 0.000 1.160 426 P CA 0.753 63.935 63.100 0.137 0.000 0.777 426 P CB 0.210 31.981 31.700 0.118 0.000 0.814 427 F N -0.854 119.124 119.950 0.047 0.000 2.650 427 F HA 0.545 5.074 4.527 0.004 0.000 0.310 427 F C -1.581 174.277 175.800 0.096 0.000 1.112 427 F CA -0.646 57.390 58.000 0.059 0.000 0.986 427 F CB 1.860 40.891 39.000 0.052 0.000 1.285 427 F HN -0.385 nan 8.300 nan 0.000 0.440 428 S N 5.254 120.547 115.700 -0.678 0.000 2.540 428 S HA 0.835 5.307 4.470 0.003 0.000 0.275 428 S C -1.715 172.572 174.600 -0.522 0.000 1.123 428 S CA -0.555 57.440 58.200 -0.342 0.000 0.907 428 S CB 1.287 64.436 63.200 -0.084 0.000 1.081 428 S HN 0.678 nan 8.310 nan 0.000 0.476 429 L N 3.691 124.757 121.223 -0.261 0.000 2.333 429 L HA 0.628 4.970 4.340 0.003 0.000 0.269 429 L C -2.412 174.213 176.870 -0.407 0.000 1.010 429 L CA -2.650 51.999 54.840 -0.319 0.000 0.818 429 L CB 2.045 43.985 42.059 -0.198 0.000 1.306 429 L HN 0.431 nan 8.230 nan 0.000 0.430 430 P HA 0.143 nan 4.420 nan 0.000 0.271 430 P C -1.343 175.707 177.300 -0.418 0.000 1.218 430 P CA 0.019 62.960 63.100 -0.265 0.000 0.780 430 P CB 0.430 32.006 31.700 -0.205 0.000 0.901 431 H N 1.700 120.773 119.070 0.005 0.000 2.689 431 H HA 0.255 4.813 4.556 0.003 0.000 0.346 431 H C -2.414 172.977 175.328 0.105 0.000 1.037 431 H CA -1.978 54.091 56.048 0.035 0.000 1.234 431 H CB 1.995 31.723 29.762 -0.057 0.000 1.572 431 H HN 0.263 nan 8.280 nan 0.000 0.524 432 P HA 0.108 nan 4.420 nan 0.000 0.280 432 P C -0.180 177.236 177.300 0.194 0.000 1.386 432 P CA -0.397 62.863 63.100 0.267 0.000 0.899 432 P CB 0.330 32.176 31.700 0.243 0.000 1.098 433 M N 3.594 123.294 119.600 0.167 0.000 2.188 433 M HA 0.252 4.734 4.480 0.003 0.000 0.357 433 M C 0.108 176.574 176.300 0.277 0.000 1.204 433 M CA -0.278 55.051 55.300 0.048 0.000 1.095 433 M CB 0.072 32.643 32.600 -0.048 0.000 1.604 433 M HN 0.429 nan 8.290 nan 0.000 0.464 434 H N 2.961 122.060 119.070 0.048 0.000 2.589 434 H HA 0.649 5.207 4.556 0.003 0.000 0.351 434 H C -2.073 173.458 175.328 0.339 0.000 1.074 434 H CA -0.811 55.360 56.048 0.204 0.000 1.203 434 H CB 1.283 31.108 29.762 0.105 0.000 1.558 434 H HN 0.590 nan 8.280 nan 0.000 0.522 435 L N 5.912 127.111 121.223 -0.039 0.000 2.296 435 L HA 0.352 4.694 4.340 0.003 0.000 0.286 435 L C -0.674 175.997 176.870 -0.332 0.000 1.023 435 L CA -0.229 54.629 54.840 0.030 0.000 0.812 435 L CB 0.684 42.897 42.059 0.256 0.000 1.223 435 L HN 0.793 nan 8.230 nan 0.000 0.421 436 H N 3.632 122.535 119.070 -0.279 0.000 2.547 436 H HA 0.328 4.886 4.556 0.003 0.000 0.362 436 H C 0.968 176.035 175.328 -0.435 0.000 1.181 436 H CA 0.302 56.267 56.048 -0.138 0.000 1.376 436 H CB 1.143 31.034 29.762 0.216 0.000 1.488 436 H HN 0.941 nan 8.280 nan 0.000 0.583 437 G N 1.323 109.712 108.800 -0.685 0.000 2.257 437 G HA2 -0.240 3.722 3.960 0.003 0.000 0.267 437 G HA3 -0.240 3.722 3.960 0.003 0.000 0.267 437 G C 0.055 174.095 174.900 -1.434 0.000 0.984 437 G CA 0.427 44.435 45.100 -1.821 0.000 0.626 437 G HN 0.803 nan 8.290 nan 0.000 0.540 438 H N -0.162 118.499 119.070 -0.680 0.000 3.046 438 H HA 0.289 4.846 4.556 0.003 0.000 0.363 438 H C -1.333 173.774 175.328 -0.368 0.000 1.203 438 H CA -0.831 54.924 56.048 -0.489 0.000 1.169 438 H CB 1.386 30.804 29.762 -0.574 0.000 1.851 438 H HN 0.195 nan 8.280 nan 0.000 0.546 439 D N 2.401 122.721 120.400 -0.133 0.000 2.302 439 D HA 0.158 4.800 4.640 0.003 0.000 0.248 439 D C 0.185 176.433 176.300 -0.087 0.000 1.094 439 D CA 0.053 53.923 54.000 -0.216 0.000 0.897 439 D CB 1.067 41.784 40.800 -0.137 0.000 1.200 439 D HN 0.193 nan 8.370 nan 0.000 0.429 440 F N -0.341 119.652 119.950 0.071 0.000 2.450 440 F HA 0.527 5.055 4.527 0.003 0.000 0.328 440 F C -0.209 175.666 175.800 0.125 0.000 1.068 440 F CA -1.399 56.677 58.000 0.126 0.000 1.007 440 F CB 0.316 39.378 39.000 0.104 0.000 1.251 440 F HN 0.024 nan 8.300 nan 0.000 0.492 441 L N 2.265 123.737 121.223 0.415 0.000 2.292 441 L HA 0.466 4.808 4.340 0.003 0.000 0.284 441 L C -0.588 176.427 176.870 0.243 0.000 1.065 441 L CA -1.196 53.785 54.840 0.235 0.000 0.806 441 L CB 1.536 43.609 42.059 0.023 0.000 1.175 441 L HN 0.466 nan 8.230 nan 0.000 0.431 442 V N 5.443 125.492 119.914 0.225 0.000 2.322 442 V HA 0.100 4.222 4.120 0.003 0.000 0.258 442 V C 1.091 177.231 176.094 0.077 0.000 1.074 442 V CA -0.127 62.268 62.300 0.159 0.000 0.909 442 V CB 0.734 32.671 31.823 0.189 0.000 1.090 442 V HN 0.701 nan 8.190 nan 0.000 0.486 443 L N 3.575 124.824 121.223 0.043 0.000 2.270 443 L HA 0.467 4.809 4.340 0.003 0.000 0.210 443 L C 1.159 178.072 176.870 0.071 0.000 1.104 443 L CA 0.909 55.766 54.840 0.028 0.000 0.804 443 L CB -0.072 41.982 42.059 -0.008 0.000 0.937 443 L HN 0.785 nan 8.230 nan 0.000 0.450 444 G N 0.042 108.901 108.800 0.098 0.000 2.338 444 G HA2 0.475 4.437 3.960 0.003 0.000 0.295 444 G HA3 0.475 4.437 3.960 0.003 0.000 0.295 444 G C -1.668 173.258 174.900 0.044 0.000 1.461 444 G CA -0.819 44.352 45.100 0.119 0.000 0.817 444 G HN 0.100 nan 8.290 nan 0.000 0.556 445 R N -1.424 118.930 120.500 -0.245 0.000 2.795 445 R HA 0.788 5.130 4.340 0.003 0.000 0.268 445 R C 0.194 175.708 176.300 -1.309 0.000 1.041 445 R CA -0.316 55.347 56.100 -0.727 0.000 0.927 445 R CB 0.867 30.938 30.300 -0.382 0.000 1.235 445 R HN 1.103 nan 8.270 nan 0.000 0.463 446 S N 0.426 115.050 115.700 -1.793 0.000 2.566 446 S HA 0.182 4.654 4.470 0.003 0.000 0.280 446 S C -2.127 171.933 174.600 -0.898 0.000 1.343 446 S CA -0.820 56.516 58.200 -1.440 0.000 1.036 446 S CB -0.099 62.386 63.200 -1.192 0.000 0.866 446 S HN 0.451 nan 8.310 nan 0.000 0.526 447 P HA 0.150 nan 4.420 nan 0.000 0.266 447 P C -0.738 176.299 177.300 -0.438 0.000 1.195 447 P CA 0.010 62.751 63.100 -0.598 0.000 0.768 447 P CB 0.181 31.531 31.700 -0.582 0.000 0.838 448 D N 1.390 121.637 120.400 -0.255 0.000 2.401 448 D HA 0.195 4.837 4.640 0.003 0.000 0.254 448 D C 0.270 176.514 176.300 -0.093 0.000 1.192 448 D CA 0.417 54.317 54.000 -0.166 0.000 0.885 448 D CB 0.119 40.841 40.800 -0.130 0.000 1.147 448 D HN 0.081 nan 8.370 nan 0.000 0.478 449 V N 0.400 120.286 119.914 -0.047 0.000 3.167 449 V HA 0.720 4.842 4.120 0.003 0.000 0.310 449 V C -2.846 173.245 176.094 -0.006 0.000 1.207 449 V CA -2.538 59.772 62.300 0.016 0.000 1.059 449 V CB 1.712 33.613 31.823 0.130 0.000 1.079 449 V HN 0.147 nan 8.190 nan 0.000 0.446 450 P HA 0.335 nan 4.420 nan 0.000 0.267 450 P C 0.692 177.986 177.300 -0.010 0.000 1.205 450 P CA 0.562 63.657 63.100 -0.008 0.000 0.765 450 P CB 1.118 32.821 31.700 0.006 0.000 0.828 451 A N 4.041 126.844 122.820 -0.028 0.000 1.940 451 A HA -0.131 4.191 4.320 0.003 0.000 0.219 451 A C 1.887 179.452 177.584 -0.032 0.000 1.176 451 A CA 2.023 54.033 52.037 -0.043 0.000 0.631 451 A CB -1.262 17.700 19.000 -0.063 0.000 0.814 451 A HN 0.547 nan 8.150 nan 0.000 0.446 452 A N -0.070 122.751 122.820 0.001 0.000 2.275 452 A HA 0.281 4.603 4.320 0.003 0.000 0.212 452 A C 2.002 179.605 177.584 0.031 0.000 1.201 452 A CA 1.048 53.102 52.037 0.028 0.000 0.843 452 A CB -0.643 18.395 19.000 0.064 0.000 0.873 452 A HN 0.869 nan 8.150 nan 0.000 0.492 453 S N -0.795 114.914 115.700 0.016 0.000 2.507 453 S HA -0.132 4.340 4.470 0.003 0.000 0.235 453 S C 0.852 175.458 174.600 0.010 0.000 0.988 453 S CA 0.917 59.128 58.200 0.018 0.000 0.944 453 S CB -0.274 62.937 63.200 0.019 0.000 0.762 453 S HN 0.493 nan 8.310 nan 0.000 0.526 454 Q N 0.218 120.015 119.800 -0.005 0.000 2.461 454 Q HA -0.199 4.143 4.340 0.003 0.000 0.264 454 Q C -0.581 175.395 176.000 -0.040 0.000 1.085 454 Q CA 0.999 56.789 55.803 -0.021 0.000 1.006 454 Q CB -2.353 26.398 28.738 0.021 0.000 1.437 454 Q HN 0.832 nan 8.270 nan 0.000 0.514 455 Q N 0.484 120.256 119.800 -0.047 0.000 2.332 455 Q HA 0.282 4.624 4.340 0.003 0.000 0.263 455 Q C 0.192 176.075 176.000 -0.196 0.000 0.979 455 Q CA 0.093 55.813 55.803 -0.138 0.000 0.885 455 Q CB 0.839 29.521 28.738 -0.094 0.000 1.218 455 Q HN 0.001 nan 8.270 nan 0.000 0.405 456 R N 2.125 122.395 120.500 -0.383 0.000 2.599 456 R HA 0.552 4.894 4.340 0.003 0.000 0.295 456 R C -1.154 174.831 176.300 -0.524 0.000 0.963 456 R CA -0.539 55.410 56.100 -0.251 0.000 0.883 456 R CB 0.969 31.203 30.300 -0.109 0.000 1.171 456 R HN 0.488 nan 8.270 nan 0.000 0.450 457 F N 0.391 120.425 119.950 0.141 0.000 2.556 457 F HA 0.470 4.998 4.527 0.003 0.000 0.314 457 F C -0.059 175.959 175.800 0.362 0.000 1.106 457 F CA -1.014 57.127 58.000 0.235 0.000 0.911 457 F CB 2.080 41.231 39.000 0.251 0.000 1.190 457 F HN -0.029 nan 8.300 nan 0.000 0.448 458 V N 2.900 123.084 119.914 0.451 0.000 2.513 458 V HA 0.268 4.390 4.120 0.003 0.000 0.299 458 V C -0.416 175.814 176.094 0.228 0.000 1.035 458 V CA -1.087 61.416 62.300 0.338 0.000 0.889 458 V CB 1.822 33.758 31.823 0.187 0.000 0.988 458 V HN 0.615 nan 8.190 nan 0.000 0.440 459 F N 4.299 124.098 119.950 -0.252 0.000 2.569 459 F HA 0.108 4.637 4.527 0.003 0.000 0.395 459 F C 0.360 176.030 175.800 -0.217 0.000 1.028 459 F CA 0.396 58.010 58.000 -0.643 0.000 1.158 459 F CB 0.130 38.589 39.000 -0.902 0.000 1.023 459 F HN 0.594 nan 8.300 nan 0.000 0.547 460 D N 9.069 129.098 120.400 -0.619 0.000 2.414 460 D HA 0.310 4.952 4.640 0.003 0.000 0.232 460 D C -2.012 173.878 176.300 -0.683 0.000 1.070 460 D CA -2.532 51.201 54.000 -0.445 0.000 0.839 460 D CB 1.944 42.647 40.800 -0.162 0.000 1.079 460 D HN 0.199 nan 8.370 nan 0.000 0.521 461 P HA -0.105 nan 4.420 nan 0.000 0.217 461 P C 0.879 178.050 177.300 -0.214 0.000 1.148 461 P CA 1.142 64.025 63.100 -0.361 0.000 0.828 461 P CB 0.253 31.891 31.700 -0.103 0.000 0.783 462 A N -1.070 121.654 122.820 -0.160 0.000 2.168 462 A HA -0.011 4.311 4.320 0.003 0.000 0.215 462 A C 1.882 179.419 177.584 -0.077 0.000 1.152 462 A CA 1.692 53.675 52.037 -0.090 0.000 0.716 462 A CB -1.003 17.960 19.000 -0.061 0.000 0.794 462 A HN 0.239 nan 8.150 nan 0.000 0.465 463 V N -5.228 114.620 119.914 -0.111 0.000 3.350 463 V HA 0.158 4.280 4.120 0.003 0.000 0.246 463 V C 1.246 177.300 176.094 -0.066 0.000 1.363 463 V CA 0.834 63.097 62.300 -0.061 0.000 1.162 463 V CB -0.170 31.642 31.823 -0.019 0.000 0.947 463 V HN 0.184 nan 8.190 nan 0.000 0.454 464 D N 0.890 121.181 120.400 -0.181 0.000 2.240 464 D HA 0.164 4.806 4.640 0.003 0.000 0.206 464 D C 2.168 178.454 176.300 -0.023 0.000 0.963 464 D CA 0.949 54.874 54.000 -0.126 0.000 0.863 464 D CB 0.305 40.861 40.800 -0.407 0.000 0.973 464 D HN 0.371 nan 8.370 nan 0.000 0.501 465 L N 1.182 122.359 121.223 -0.075 0.000 2.051 465 L HA -0.221 4.121 4.340 0.003 0.000 0.214 465 L C 2.357 179.273 176.870 0.075 0.000 1.076 465 L CA 1.416 56.304 54.840 0.081 0.000 0.758 465 L CB -0.342 41.755 42.059 0.064 0.000 0.890 465 L HN -0.008 nan 8.230 nan 0.000 0.433 466 A N -0.688 122.154 122.820 0.037 0.000 2.168 466 A HA -0.084 4.238 4.320 0.003 0.000 0.215 466 A C 2.190 179.803 177.584 0.049 0.000 1.152 466 A CA 0.767 52.825 52.037 0.035 0.000 0.716 466 A CB -0.336 18.674 19.000 0.016 0.000 0.794 466 A HN 0.365 nan 8.150 nan 0.000 0.465 467 R N -0.805 119.741 120.500 0.078 0.000 2.300 467 R HA 0.267 4.609 4.340 0.003 0.000 0.199 467 R C -0.288 176.082 176.300 0.116 0.000 0.920 467 R CA -0.160 55.994 56.100 0.090 0.000 1.046 467 R CB -0.064 30.303 30.300 0.112 0.000 0.984 467 R HN 0.400 nan 8.270 nan 0.000 0.493 468 L N 1.407 122.713 121.223 0.139 0.000 2.417 468 L HA 0.165 4.507 4.340 0.003 0.000 0.268 468 L C 0.019 176.929 176.870 0.067 0.000 1.158 468 L CA -0.435 54.479 54.840 0.123 0.000 0.819 468 L CB 0.372 42.512 42.059 0.136 0.000 1.112 468 L HN -0.061 nan 8.230 nan 0.000 0.458 469 N N 0.784 119.513 118.700 0.047 0.000 2.483 469 N HA 0.325 5.067 4.740 0.003 0.000 0.267 469 N C 0.324 175.832 175.510 -0.003 0.000 0.998 469 N CA -0.362 52.701 53.050 0.021 0.000 0.918 469 N CB 1.831 40.330 38.487 0.020 0.000 1.215 469 N HN 0.631 nan 8.380 nan 0.000 0.500 470 G N 1.463 110.253 108.800 -0.018 0.000 3.088 470 G HA2 -0.030 3.932 3.960 0.003 0.000 0.217 470 G HA3 -0.030 3.932 3.960 0.003 0.000 0.217 470 G C -0.043 174.811 174.900 -0.076 0.000 1.159 470 G CA -0.154 44.908 45.100 -0.063 0.000 0.760 470 G HN 0.573 nan 8.290 nan 0.000 0.550 471 D N 0.861 121.237 120.400 -0.040 0.000 2.456 471 D HA 0.145 4.787 4.640 0.003 0.000 0.219 471 D C 0.545 176.833 176.300 -0.019 0.000 1.126 471 D CA -0.654 53.328 54.000 -0.030 0.000 0.890 471 D CB -0.155 40.638 40.800 -0.012 0.000 1.025 471 D HN -0.006 nan 8.370 nan 0.000 0.511 472 N N 2.982 121.666 118.700 -0.027 0.000 2.688 472 N HA -0.130 4.612 4.740 0.003 0.000 0.258 472 N C -2.449 173.065 175.510 0.006 0.000 1.016 472 N CA 0.266 53.312 53.050 -0.006 0.000 0.747 472 N CB -0.361 38.134 38.487 0.013 0.000 0.895 472 N HN 0.323 nan 8.380 nan 0.000 0.543 473 P HA 0.239 nan 4.420 nan 0.000 0.274 473 P C -2.524 174.804 177.300 0.047 0.000 1.246 473 P CA -1.037 62.076 63.100 0.020 0.000 0.795 473 P CB -0.015 31.689 31.700 0.007 0.000 1.006 474 P HA 0.036 nan 4.420 nan 0.000 0.261 474 P C -0.069 177.291 177.300 0.100 0.000 1.173 474 P CA 0.857 64.010 63.100 0.089 0.000 0.760 474 P CB 0.170 31.938 31.700 0.114 0.000 0.783 475 R N 4.039 124.581 120.500 0.071 0.000 2.483 475 R HA 0.585 4.927 4.340 0.003 0.000 0.303 475 R C -0.173 176.104 176.300 -0.038 0.000 0.987 475 R CA -0.654 55.477 56.100 0.051 0.000 0.881 475 R CB 0.950 31.290 30.300 0.067 0.000 1.177 475 R HN 0.609 nan 8.270 nan 0.000 0.451 476 R N 1.254 121.649 120.500 -0.176 0.000 2.921 476 R HA 0.163 4.505 4.340 0.003 0.000 0.268 476 R C -1.056 174.830 176.300 -0.689 0.000 1.008 476 R CA -0.436 55.490 56.100 -0.291 0.000 0.876 476 R CB 0.071 30.273 30.300 -0.164 0.000 1.395 476 R HN 0.520 nan 8.270 nan 0.000 0.443 477 D N -0.900 119.225 120.400 -0.459 0.000 2.423 477 D HA 0.148 4.790 4.640 0.003 0.000 0.208 477 D C -0.429 175.868 176.300 -0.004 0.000 1.068 477 D CA 0.273 54.025 54.000 -0.413 0.000 0.860 477 D CB 0.829 41.579 40.800 -0.083 0.000 0.992 477 D HN 0.416 nan 8.370 nan 0.000 0.504 478 T N -0.536 114.088 114.554 0.116 0.000 2.921 478 T HA 0.602 4.954 4.350 0.003 0.000 0.297 478 T C -1.136 173.792 174.700 0.380 0.000 1.013 478 T CA -0.632 61.697 62.100 0.383 0.000 0.990 478 T CB 2.170 71.177 68.868 0.231 0.000 1.023 478 T HN -0.015 nan 8.240 nan 0.000 0.447 479 T N 2.382 117.235 114.554 0.499 0.000 2.843 479 T HA 0.540 4.892 4.350 0.003 0.000 0.302 479 T C -1.175 173.684 174.700 0.265 0.000 1.232 479 T CA -0.836 61.478 62.100 0.357 0.000 1.009 479 T CB 0.960 70.069 68.868 0.402 0.000 1.254 479 T HN 0.353 nan 8.240 nan 0.000 0.504 480 M N 3.324 123.056 119.600 0.220 0.000 2.162 480 M HA 0.345 4.827 4.480 0.003 0.000 0.356 480 M C -0.353 176.009 176.300 0.102 0.000 1.303 480 M CA -0.805 54.599 55.300 0.172 0.000 1.116 480 M CB 0.201 32.886 32.600 0.142 0.000 1.632 480 M HN 0.490 nan 8.290 nan 0.000 0.469 481 L N 7.978 129.268 121.223 0.113 0.000 2.325 481 L HA 0.404 4.746 4.340 0.003 0.000 0.284 481 L C -2.325 174.577 176.870 0.053 0.000 1.089 481 L CA -1.393 53.503 54.840 0.094 0.000 0.836 481 L CB 0.347 42.491 42.059 0.142 0.000 1.184 481 L HN 0.371 nan 8.230 nan 0.000 0.444 482 P HA 0.133 nan 4.420 nan 0.000 0.268 482 P C -0.819 176.479 177.300 -0.002 0.000 1.204 482 P CA -0.209 62.862 63.100 -0.047 0.000 0.768 482 P CB 0.557 32.184 31.700 -0.122 0.000 0.842 483 A N 3.697 126.495 122.820 -0.037 0.000 2.580 483 A HA 0.338 4.660 4.320 0.003 0.000 0.244 483 A C 1.657 179.251 177.584 0.018 0.000 1.045 483 A CA 0.886 52.895 52.037 -0.047 0.000 0.761 483 A CB -1.554 17.382 19.000 -0.107 0.000 0.962 483 A HN 0.909 nan 8.150 nan 0.000 0.512 484 G N 1.461 110.288 108.800 0.046 0.000 2.184 484 G HA2 -0.035 3.927 3.960 0.003 0.000 0.264 484 G HA3 -0.035 3.927 3.960 0.003 0.000 0.264 484 G C 0.985 175.994 174.900 0.182 0.000 0.975 484 G CA 1.071 46.221 45.100 0.083 0.000 0.642 484 G HN 1.936 nan 8.290 nan 0.000 0.536 485 G N -0.840 108.073 108.800 0.189 0.000 3.247 485 G HA2 0.745 4.707 3.960 0.003 0.000 0.163 485 G HA3 0.745 4.707 3.960 0.003 0.000 0.163 485 G C -0.059 175.004 174.900 0.272 0.000 1.206 485 G CA -0.157 45.079 45.100 0.227 0.000 0.918 485 G HN 1.141 nan 8.290 nan 0.000 0.625 486 W N -2.008 119.387 121.300 0.158 0.000 3.074 486 W HA 0.728 5.389 4.660 0.003 0.000 0.332 486 W C -2.604 173.972 176.519 0.094 0.000 1.253 486 W CA -1.099 56.331 57.345 0.140 0.000 1.180 486 W CB 1.207 30.778 29.460 0.185 0.000 1.445 486 W HN 0.597 nan 8.180 nan 0.000 0.573 487 L N 2.916 124.413 121.223 0.458 0.000 2.455 487 L HA 0.697 5.039 4.340 0.003 0.000 0.264 487 L C -1.981 175.085 176.870 0.328 0.000 0.968 487 L CA -0.723 54.282 54.840 0.275 0.000 0.827 487 L CB 1.964 44.105 42.059 0.137 0.000 1.317 487 L HN 0.413 nan 8.230 nan 0.000 0.407 488 L N 5.439 126.813 121.223 0.253 0.000 2.325 488 L HA 0.699 5.041 4.340 0.003 0.000 0.281 488 L C -1.465 175.396 176.870 -0.016 0.000 1.004 488 L CA -0.091 54.765 54.840 0.026 0.000 0.823 488 L CB 1.304 43.278 42.059 -0.143 0.000 1.236 488 L HN 0.607 nan 8.230 nan 0.000 0.415 489 L N 4.244 125.449 121.223 -0.031 0.000 2.323 489 L HA 0.975 5.317 4.340 0.003 0.000 0.265 489 L C -0.419 176.427 176.870 -0.039 0.000 1.012 489 L CA -0.899 53.913 54.840 -0.047 0.000 0.820 489 L CB 1.943 43.895 42.059 -0.180 0.000 1.334 489 L HN 0.707 nan 8.230 nan 0.000 0.427 490 A N 1.755 124.561 122.820 -0.023 0.000 2.449 490 A HA 0.880 5.202 4.320 0.003 0.000 0.302 490 A C -1.256 176.485 177.584 0.262 0.000 1.048 490 A CA -0.376 51.593 52.037 -0.113 0.000 0.708 490 A CB 1.497 20.180 19.000 -0.528 0.000 1.274 490 A HN 0.612 nan 8.150 nan 0.000 0.410 491 F N -0.175 119.839 119.950 0.107 0.000 2.626 491 F HA 0.822 5.351 4.527 0.003 0.000 0.311 491 F C -0.537 175.101 175.800 -0.270 0.000 1.088 491 F CA -1.008 56.991 58.000 -0.001 0.000 0.949 491 F CB 1.531 40.368 39.000 -0.272 0.000 1.322 491 F HN 0.624 nan 8.300 nan 0.000 0.461 492 R N 1.021 121.254 120.500 -0.446 0.000 2.297 492 R HA 0.386 4.728 4.340 0.003 0.000 0.308 492 R C -0.253 175.902 176.300 -0.241 0.000 1.029 492 R CA -0.221 55.439 56.100 -0.733 0.000 0.929 492 R CB 1.347 30.934 30.300 -1.188 0.000 1.046 492 R HN 0.925 nan 8.270 nan 0.000 0.461 493 T N 0.488 114.917 114.554 -0.209 0.000 4.313 493 T HA 0.051 4.402 4.350 0.003 0.000 0.272 493 T C 0.131 174.884 174.700 0.088 0.000 1.298 493 T CA -0.637 61.491 62.100 0.047 0.000 1.124 493 T CB -0.240 68.639 68.868 0.018 0.000 1.352 493 T HN 0.633 nan 8.240 nan 0.000 1.013 494 D N 0.032 120.511 120.400 0.132 0.000 2.342 494 D HA 0.081 4.723 4.640 0.003 0.000 0.221 494 D C 0.269 176.629 176.300 0.100 0.000 1.101 494 D CA -0.436 53.603 54.000 0.066 0.000 0.837 494 D CB 0.060 40.855 40.800 -0.008 0.000 0.938 494 D HN 0.428 nan 8.370 nan 0.000 0.508 495 N N 0.620 119.437 118.700 0.194 0.000 2.685 495 N HA 0.252 4.994 4.740 0.003 0.000 0.252 495 N C -3.063 172.697 175.510 0.416 0.000 1.261 495 N CA -1.589 51.567 53.050 0.177 0.000 0.768 495 N CB 1.357 39.747 38.487 -0.162 0.000 1.304 495 N HN -0.200 nan 8.380 nan 0.000 0.536 496 P HA 0.389 nan 4.420 nan 0.000 0.268 496 P C -0.043 177.368 177.300 0.186 0.000 1.204 496 P CA 0.281 63.528 63.100 0.246 0.000 0.768 496 P CB 0.878 32.657 31.700 0.132 0.000 0.842 497 G N 1.122 109.922 108.800 0.001 0.000 2.340 497 G HA2 0.475 4.437 3.960 0.003 0.000 0.298 497 G HA3 0.475 4.437 3.960 0.003 0.000 0.298 497 G C -1.861 172.585 174.900 -0.757 0.000 1.498 497 G CA -0.287 44.471 45.100 -0.569 0.000 0.847 497 G HN 0.428 nan 8.290 nan 0.000 0.594 498 A N -0.062 122.254 122.820 -0.839 0.000 2.252 498 A HA 0.714 5.036 4.320 0.003 0.000 0.309 498 A C -0.991 176.199 177.584 -0.656 0.000 1.285 498 A CA -0.340 51.359 52.037 -0.562 0.000 0.900 498 A CB -0.012 18.763 19.000 -0.374 0.000 1.157 498 A HN 0.713 nan 8.150 nan 0.000 0.536 499 W N 3.464 124.753 121.300 -0.017 0.000 2.475 499 W HA 0.507 5.169 4.660 0.003 0.000 0.320 499 W C -0.312 176.145 176.519 -0.103 0.000 1.022 499 W CA -0.695 56.633 57.345 -0.028 0.000 1.240 499 W CB 1.232 30.727 29.460 0.058 0.000 1.328 499 W HN 0.460 nan 8.180 nan 0.000 0.439 500 L N 3.372 124.495 121.223 -0.168 0.000 2.467 500 L HA 0.281 4.623 4.340 0.003 0.000 0.270 500 L C -0.343 176.583 176.870 0.093 0.000 1.205 500 L CA -0.114 54.589 54.840 -0.229 0.000 0.828 500 L CB 0.207 41.926 42.059 -0.567 0.000 1.101 500 L HN 0.340 nan 8.230 nan 0.000 0.479 501 F N 2.974 122.893 119.950 -0.052 0.000 2.612 501 F HA 0.480 5.010 4.527 0.004 0.000 0.332 501 F C -0.507 175.307 175.800 0.023 0.000 1.167 501 F CA -0.494 57.502 58.000 -0.007 0.000 0.970 501 F CB 0.757 39.778 39.000 0.035 0.000 1.234 501 F HN 0.571 nan 8.300 nan 0.000 0.453 502 H N 2.429 121.254 119.070 -0.408 0.000 3.064 502 H HA 0.429 4.987 4.556 0.004 0.000 0.352 502 H C -1.418 173.786 175.328 -0.207 0.000 1.260 502 H CA -1.401 54.461 56.048 -0.309 0.000 1.160 502 H CB 0.735 30.425 29.762 -0.121 0.000 1.879 502 H HN 0.733 nan 8.280 nan 0.000 0.544 503 C N 3.080 122.323 119.300 -0.094 0.000 2.648 503 C HA 0.075 4.537 4.460 0.003 0.000 0.419 503 C C 1.395 176.491 174.990 0.176 0.000 1.352 503 C CA -0.009 59.007 59.018 -0.004 0.000 1.816 503 C CB -0.990 26.723 27.740 -0.046 0.000 2.598 503 C HN 1.019 nan 8.230 nan 0.000 0.598 504 H N 4.004 123.130 119.070 0.094 0.000 2.539 504 H HA 0.244 4.802 4.556 0.003 0.000 0.267 504 H C 0.583 175.918 175.328 0.011 0.000 0.982 504 H CA 0.419 56.553 56.048 0.143 0.000 1.146 504 H CB 0.061 29.890 29.762 0.113 0.000 1.382 504 H HN 0.680 nan 8.280 nan 0.000 0.577 505 I N 1.399 121.983 120.570 0.024 0.000 2.494 505 I HA -0.055 4.117 4.170 0.003 0.000 0.289 505 I C 1.683 177.595 176.117 -0.343 0.000 1.106 505 I CA -0.101 61.048 61.300 -0.252 0.000 1.369 505 I CB 1.179 38.906 38.000 -0.456 0.000 1.410 505 I HN 0.115 nan 8.210 nan 0.000 0.523 506 A N 7.209 129.679 122.820 -0.583 0.000 1.917 506 A HA -0.191 4.131 4.320 0.003 0.000 0.219 506 A C 1.840 179.299 177.584 -0.209 0.000 1.182 506 A CA 1.580 53.310 52.037 -0.512 0.000 0.633 506 A CB -0.725 17.755 19.000 -0.866 0.000 0.819 506 A HN 0.932 nan 8.150 nan 0.000 0.448 507 W N -1.274 120.004 121.300 -0.037 0.000 2.392 507 W HA -0.125 4.538 4.660 0.005 0.000 0.279 507 W C 2.198 178.860 176.519 0.239 0.000 1.225 507 W CA 0.750 58.139 57.345 0.075 0.000 1.233 507 W CB -0.517 28.991 29.460 0.079 0.000 1.122 507 W HN 0.525 nan 8.180 nan 0.000 0.561 508 H N -0.637 118.519 119.070 0.143 0.000 2.317 508 H HA -0.120 4.438 4.556 0.003 0.000 0.304 508 H C 2.449 177.755 175.328 -0.037 0.000 1.067 508 H CA 1.179 57.179 56.048 -0.080 0.000 1.352 508 H CB -0.394 29.129 29.762 -0.398 0.000 1.398 508 H HN -0.030 nan 8.280 nan 0.000 0.510 509 V N 0.285 120.257 119.914 0.097 0.000 2.407 509 V HA -0.239 3.883 4.120 0.003 0.000 0.248 509 V C 2.245 178.375 176.094 0.060 0.000 1.055 509 V CA 1.814 64.138 62.300 0.039 0.000 1.049 509 V CB -0.322 31.491 31.823 -0.016 0.000 0.662 509 V HN 0.317 nan 8.190 nan 0.000 0.455 510 S N 0.286 116.053 115.700 0.111 0.000 2.387 510 S HA -0.145 4.327 4.470 0.003 0.000 0.230 510 S C 1.709 176.403 174.600 0.158 0.000 1.035 510 S CA 1.495 59.776 58.200 0.134 0.000 1.014 510 S CB -0.555 62.770 63.200 0.208 0.000 0.836 510 S HN 0.813 nan 8.310 nan 0.000 0.466 511 G N -0.978 107.977 108.800 0.259 0.000 2.985 511 G HA2 0.405 4.367 3.960 0.003 0.000 0.209 511 G HA3 0.405 4.367 3.960 0.003 0.000 0.209 511 G C 0.810 175.872 174.900 0.269 0.000 1.165 511 G CA 0.483 45.775 45.100 0.320 0.000 0.776 511 G HN 0.769 nan 8.290 nan 0.000 0.541 512 G N -0.509 108.394 108.800 0.172 0.000 2.227 512 G HA2 -0.200 3.762 3.960 0.003 0.000 0.168 512 G HA3 -0.200 3.762 3.960 0.003 0.000 0.168 512 G C 0.377 175.318 174.900 0.069 0.000 1.006 512 G CA -0.138 45.021 45.100 0.098 0.000 0.684 512 G HN 0.398 nan 8.290 nan 0.000 0.489 513 L N 2.567 123.825 121.223 0.060 0.000 2.384 513 L HA 0.633 4.975 4.340 0.003 0.000 0.258 513 L C 0.277 177.100 176.870 -0.079 0.000 1.266 513 L CA 0.331 55.142 54.840 -0.048 0.000 1.162 513 L CB 0.184 42.091 42.059 -0.255 0.000 1.375 513 L HN 0.235 nan 8.230 nan 0.000 0.420 514 S N 1.387 117.041 115.700 -0.077 0.000 2.565 514 S HA 0.712 5.184 4.470 0.003 0.000 0.269 514 S C -0.755 173.770 174.600 -0.126 0.000 1.153 514 S CA -0.455 57.688 58.200 -0.095 0.000 0.835 514 S CB 1.743 64.891 63.200 -0.087 0.000 1.122 514 S HN 0.238 nan 8.310 nan 0.000 0.462 515 V N 0.176 119.994 119.914 -0.161 0.000 3.145 515 V HA 0.853 4.975 4.120 0.003 0.000 0.311 515 V C -1.500 174.426 176.094 -0.279 0.000 1.238 515 V CA -0.704 61.450 62.300 -0.243 0.000 1.066 515 V CB 1.946 33.548 31.823 -0.367 0.000 1.144 515 V HN 0.822 nan 8.190 nan 0.000 0.465 516 D N 0.184 120.376 120.400 -0.347 0.000 2.476 516 D HA 0.396 5.038 4.640 0.003 0.000 0.251 516 D C -1.340 174.795 176.300 -0.276 0.000 1.291 516 D CA -0.378 53.461 54.000 -0.269 0.000 0.939 516 D CB 0.943 41.595 40.800 -0.246 0.000 1.221 516 D HN 0.387 nan 8.370 nan 0.000 0.567 517 F N 3.063 122.977 119.950 -0.059 0.000 2.494 517 F HA 0.165 4.694 4.527 0.004 0.000 0.369 517 F C 0.820 176.620 175.800 -0.000 0.000 1.098 517 F CA -0.535 57.454 58.000 -0.019 0.000 1.154 517 F CB 0.555 39.585 39.000 0.050 0.000 1.103 517 F HN 0.265 nan 8.300 nan 0.000 0.549 518 L N 4.980 126.273 121.223 0.118 0.000 2.375 518 L HA 0.213 4.555 4.340 0.003 0.000 0.276 518 L C 0.183 177.132 176.870 0.131 0.000 1.162 518 L CA -0.065 54.784 54.840 0.015 0.000 0.991 518 L CB -0.152 41.814 42.059 -0.154 0.000 1.315 518 L HN 0.518 nan 8.230 nan 0.000 0.431 519 E N 4.511 124.829 120.200 0.198 0.000 2.180 519 E HA 0.215 4.567 4.350 0.003 0.000 0.283 519 E C -0.128 176.576 176.600 0.173 0.000 1.061 519 E CA -0.431 56.130 56.400 0.268 0.000 0.861 519 E CB 0.235 30.221 29.700 0.476 0.000 1.056 519 E HN 0.463 nan 8.360 nan 0.000 0.407 520 R N 3.409 123.997 120.500 0.147 0.000 3.205 520 R HA -0.137 4.205 4.340 0.003 0.000 0.249 520 R C -1.926 174.422 176.300 0.080 0.000 0.937 520 R CA 0.251 56.417 56.100 0.110 0.000 0.641 520 R CB -0.907 29.464 30.300 0.119 0.000 1.114 520 R HN 0.582 nan 8.270 nan 0.000 0.451 521 P HA -0.222 nan 4.420 nan 0.000 0.217 521 P C 1.241 178.570 177.300 0.048 0.000 1.150 521 P CA 1.888 65.017 63.100 0.048 0.000 0.832 521 P CB 0.120 31.864 31.700 0.073 0.000 0.787 522 A N 0.910 123.764 122.820 0.057 0.000 1.865 522 A HA -0.226 4.096 4.320 0.003 0.000 0.217 522 A C 2.079 179.686 177.584 0.040 0.000 1.191 522 A CA 2.338 54.403 52.037 0.047 0.000 0.623 522 A CB -1.478 17.550 19.000 0.048 0.000 0.826 522 A HN 0.089 nan 8.150 nan 0.000 0.444 523 D N -0.582 119.845 120.400 0.046 0.000 2.144 523 D HA -0.114 4.528 4.640 0.003 0.000 0.199 523 D C 1.853 178.176 176.300 0.037 0.000 0.984 523 D CA 1.221 55.247 54.000 0.044 0.000 0.834 523 D CB -0.484 40.350 40.800 0.056 0.000 0.955 523 D HN 0.328 nan 8.370 nan 0.000 0.465 524 L N 1.313 122.555 121.223 0.033 0.000 1.990 524 L HA -0.186 4.156 4.340 0.003 0.000 0.213 524 L C 2.275 179.140 176.870 -0.008 0.000 1.072 524 L CA 1.823 56.667 54.840 0.006 0.000 0.755 524 L CB -0.461 41.582 42.059 -0.026 0.000 0.889 524 L HN -0.119 nan 8.230 nan 0.000 0.432 525 R N -0.903 119.595 120.500 -0.004 0.000 2.103 525 R HA -0.213 4.129 4.340 0.003 0.000 0.242 525 R C 2.275 178.574 176.300 -0.002 0.000 1.142 525 R CA 2.079 58.173 56.100 -0.010 0.000 0.960 525 R CB -0.258 30.043 30.300 0.002 0.000 0.858 525 R HN 0.625 nan 8.270 nan 0.000 0.439 526 Q N -0.521 119.285 119.800 0.011 0.000 2.226 526 Q HA -0.164 4.178 4.340 0.003 0.000 0.204 526 Q C 1.769 177.779 176.000 0.016 0.000 0.975 526 Q CA 1.333 57.145 55.803 0.015 0.000 0.866 526 Q CB 0.018 28.768 28.738 0.021 0.000 0.915 526 Q HN 0.336 nan 8.270 nan 0.000 0.440 527 R N -0.039 120.472 120.500 0.017 0.000 2.317 527 R HA 0.198 4.540 4.340 0.003 0.000 0.208 527 R C 0.232 176.545 176.300 0.021 0.000 0.914 527 R CA -0.105 56.010 56.100 0.025 0.000 1.060 527 R CB 0.378 30.700 30.300 0.037 0.000 1.015 527 R HN 0.148 nan 8.270 nan 0.000 0.498 528 I N 2.704 123.276 120.570 0.004 0.000 2.436 528 I HA -0.032 4.140 4.170 0.003 0.000 0.289 528 I C 0.783 176.907 176.117 0.012 0.000 1.083 528 I CA -0.169 61.131 61.300 -0.001 0.000 1.372 528 I CB 0.868 38.841 38.000 -0.045 0.000 1.408 528 I HN 0.126 nan 8.210 nan 0.000 0.516 529 S N 4.498 120.217 115.700 0.031 0.000 2.573 529 S HA -0.033 4.439 4.470 0.003 0.000 0.277 529 S C 0.822 175.441 174.600 0.032 0.000 1.346 529 S CA -0.448 57.773 58.200 0.034 0.000 1.034 529 S CB 1.426 64.654 63.200 0.048 0.000 0.879 529 S HN 0.672 nan 8.310 nan 0.000 0.528 530 Q N 1.009 120.826 119.800 0.028 0.000 2.170 530 Q HA -0.104 4.238 4.340 0.003 0.000 0.203 530 Q C 1.731 177.753 176.000 0.037 0.000 0.976 530 Q CA 2.058 57.878 55.803 0.028 0.000 0.858 530 Q CB -0.437 28.316 28.738 0.024 0.000 0.907 530 Q HN 0.904 nan 8.270 nan 0.000 0.433 531 E N 0.145 120.370 120.200 0.041 0.000 2.058 531 E HA -0.169 4.183 4.350 0.003 0.000 0.194 531 E C 1.582 178.220 176.600 0.063 0.000 0.997 531 E CA 1.561 57.990 56.400 0.048 0.000 0.801 531 E CB -0.138 29.592 29.700 0.051 0.000 0.746 531 E HN 0.405 nan 8.360 nan 0.000 0.450 532 D N -0.241 120.205 120.400 0.077 0.000 2.117 532 D HA -0.143 4.499 4.640 0.003 0.000 0.198 532 D C 1.841 178.184 176.300 0.072 0.000 0.982 532 D CA 0.924 54.974 54.000 0.083 0.000 0.828 532 D CB -0.156 40.707 40.800 0.105 0.000 0.967 532 D HN 0.273 nan 8.370 nan 0.000 0.464 533 E N 0.564 120.795 120.200 0.051 0.000 2.051 533 E HA -0.186 4.166 4.350 0.003 0.000 0.192 533 E C 1.226 177.900 176.600 0.123 0.000 0.991 533 E CA 1.221 57.657 56.400 0.059 0.000 0.799 533 E CB 0.155 29.869 29.700 0.023 0.000 0.748 533 E HN 0.039 nan 8.360 nan 0.000 0.449 534 D N 0.459 120.908 120.400 0.083 0.000 2.117 534 D HA -0.161 4.481 4.640 0.003 0.000 0.197 534 D C 1.571 177.917 176.300 0.076 0.000 0.987 534 D CA 1.410 55.454 54.000 0.074 0.000 0.829 534 D CB -0.408 40.420 40.800 0.047 0.000 0.961 534 D HN 0.239 nan 8.370 nan 0.000 0.460 535 D N -1.071 119.369 120.400 0.067 0.000 2.224 535 D HA -0.101 4.541 4.640 0.003 0.000 0.205 535 D C 1.713 178.038 176.300 0.041 0.000 0.965 535 D CA 0.233 54.252 54.000 0.032 0.000 0.852 535 D CB -0.112 40.687 40.800 -0.001 0.000 0.947 535 D HN 0.126 nan 8.370 nan 0.000 0.494 536 F N 0.772 120.691 119.950 -0.051 0.000 2.146 536 F HA -0.131 4.398 4.527 0.004 0.000 0.298 536 F C 1.882 177.674 175.800 -0.012 0.000 1.096 536 F CA 1.128 59.100 58.000 -0.047 0.000 1.275 536 F CB -0.185 38.791 39.000 -0.039 0.000 1.008 536 F HN -0.101 nan 8.300 nan 0.000 0.480 537 N N 0.716 119.523 118.700 0.178 0.000 2.188 537 N HA -0.179 4.563 4.740 0.003 0.000 0.184 537 N C 2.045 177.543 175.510 -0.020 0.000 1.018 537 N CA 1.154 54.246 53.050 0.069 0.000 0.858 537 N CB -0.561 38.008 38.487 0.137 0.000 0.989 537 N HN 0.395 nan 8.380 nan 0.000 0.426 538 R N 0.978 121.474 120.500 -0.007 0.000 2.073 538 R HA -0.056 4.286 4.340 0.003 0.000 0.234 538 R C 1.775 178.055 176.300 -0.032 0.000 1.134 538 R CA 1.170 57.263 56.100 -0.012 0.000 0.952 538 R CB -0.151 30.145 30.300 -0.006 0.000 0.850 538 R HN -0.028 nan 8.270 nan 0.000 0.433 539 V N 0.255 120.120 119.914 -0.081 0.000 2.358 539 V HA -0.283 3.839 4.120 0.003 0.000 0.246 539 V C 2.582 178.645 176.094 -0.052 0.000 1.047 539 V CA 1.623 63.875 62.300 -0.080 0.000 1.035 539 V CB -0.498 31.241 31.823 -0.140 0.000 0.658 539 V HN 0.520 nan 8.190 nan 0.000 0.452 540 c N 0.185 118.679 118.600 -0.177 0.000 2.429 540 c HA -0.157 4.415 4.570 0.003 0.000 0.277 540 c C 2.561 176.675 174.090 0.040 0.000 1.262 540 c CA 0.972 57.234 56.329 -0.111 0.000 1.733 540 c CB -1.037 41.287 42.510 -0.310 0.000 2.010 540 c HN 0.596 nan 8.230 nan 0.000 0.483 541 D N 0.518 120.926 120.400 0.013 0.000 2.123 541 D HA -0.119 4.523 4.640 0.003 0.000 0.196 541 D C 2.107 178.449 176.300 0.070 0.000 0.992 541 D CA 1.260 55.285 54.000 0.042 0.000 0.833 541 D CB -0.453 40.363 40.800 0.027 0.000 0.954 541 D HN 0.625 nan 8.370 nan 0.000 0.455 542 E N -0.319 119.931 120.200 0.084 0.000 2.107 542 E HA -0.116 4.236 4.350 0.003 0.000 0.191 542 E C 2.008 178.716 176.600 0.179 0.000 0.982 542 E CA 0.258 56.721 56.400 0.106 0.000 0.809 542 E CB -0.101 29.651 29.700 0.086 0.000 0.756 542 E HN 0.418 nan 8.360 nan 0.000 0.459 543 W N 2.073 123.407 121.300 0.057 0.000 2.358 543 W HA -0.141 4.521 4.660 0.004 0.000 0.303 543 W C 1.792 178.441 176.519 0.216 0.000 1.208 543 W CA 1.173 58.598 57.345 0.134 0.000 1.274 543 W CB -0.059 29.428 29.460 0.045 0.000 1.138 543 W HN -0.028 nan 8.180 nan 0.000 0.515 544 R N 0.127 120.692 120.500 0.108 0.000 2.115 544 R HA -0.112 4.230 4.340 0.003 0.000 0.230 544 R C 2.443 178.741 176.300 -0.003 0.000 1.111 544 R CA 1.398 57.524 56.100 0.044 0.000 0.976 544 R CB -0.626 29.732 30.300 0.096 0.000 0.870 544 R HN 0.136 nan 8.270 nan 0.000 0.445 545 A N 0.145 122.971 122.820 0.009 0.000 1.929 545 A HA -0.194 4.128 4.320 0.003 0.000 0.216 545 A C 1.907 179.458 177.584 -0.055 0.000 1.176 545 A CA 0.952 52.984 52.037 -0.008 0.000 0.628 545 A CB -0.535 18.478 19.000 0.023 0.000 0.816 545 A HN 0.442 nan 8.150 nan 0.000 0.444 546 Y N -1.086 119.113 120.300 -0.167 0.000 2.184 546 Y HA -0.194 4.358 4.550 0.004 0.000 0.290 546 Y C 2.279 178.008 175.900 -0.285 0.000 1.129 546 Y CA 1.527 59.492 58.100 -0.226 0.000 1.144 546 Y CB -0.516 37.784 38.460 -0.266 0.000 0.995 546 Y HN 0.539 nan 8.280 nan 0.000 0.513 547 W N 3.031 123.873 121.300 -0.763 0.000 2.338 547 W HA -0.156 4.509 4.660 0.008 0.000 0.304 547 W C -0.911 175.297 176.519 -0.518 0.000 1.212 547 W CA 1.586 58.486 57.345 -0.743 0.000 1.264 547 W CB -1.356 27.772 29.460 -0.554 0.000 1.142 547 W HN 0.174 nan 8.180 nan 0.000 0.512 548 P HA -0.159 nan 4.420 nan 0.000 0.223 548 P C 1.450 178.439 177.300 -0.519 0.000 1.144 548 P CA 2.577 65.410 63.100 -0.445 0.000 0.783 548 P CB -0.557 31.014 31.700 -0.216 0.000 0.771 549 T N -5.445 108.720 114.554 -0.648 0.000 3.044 549 T HA 0.059 4.411 4.350 0.003 0.000 0.250 549 T C 0.833 175.133 174.700 -0.668 0.000 1.081 549 T CA -0.293 61.467 62.100 -0.567 0.000 1.040 549 T CB -0.926 67.656 68.868 -0.477 0.000 0.962 549 T HN -0.086 nan 8.240 nan 0.000 0.506 550 N N 3.452 121.583 118.700 -0.948 0.000 2.483 550 N HA 0.171 4.913 4.740 0.003 0.000 0.264 550 N C -1.238 173.944 175.510 -0.547 0.000 1.197 550 N CA -1.500 51.132 53.050 -0.698 0.000 0.927 550 N CB 1.164 39.214 38.487 -0.730 0.000 1.065 550 N HN 0.097 nan 8.380 nan 0.000 0.461 551 P HA 0.040 nan 4.420 nan 0.000 0.249 551 P C -0.970 176.068 177.300 -0.437 0.000 1.229 551 P CA 0.620 63.421 63.100 -0.498 0.000 0.788 551 P CB 0.181 31.512 31.700 -0.614 0.000 1.072 552 Y N 1.323 121.594 120.300 -0.049 0.000 2.468 552 Y HA 0.496 5.044 4.550 -0.003 0.000 0.342 552 Y C -1.896 174.061 175.900 0.095 0.000 1.021 552 Y CA -3.443 54.691 58.100 0.057 0.000 1.079 552 Y CB 0.555 39.109 38.460 0.156 0.000 1.226 552 Y HN -0.137 nan 8.280 nan 0.000 0.460 553 P HA 0.207 nan 4.420 nan 0.000 0.279 553 P C -1.132 176.482 177.300 0.523 0.000 1.276 553 P CA -0.862 62.456 63.100 0.364 0.000 0.801 553 P CB 1.259 33.106 31.700 0.245 0.000 1.127 554 K N 1.136 121.863 120.400 0.545 0.000 2.276 554 K HA 0.274 4.596 4.320 0.003 0.000 0.285 554 K C 0.573 177.259 176.600 0.143 0.000 1.062 554 K CA -0.376 56.097 56.287 0.310 0.000 0.918 554 K CB -0.134 32.345 32.500 -0.035 0.000 1.055 554 K HN 0.441 nan 8.250 nan 0.000 0.477 555 I N 0.155 120.800 120.570 0.126 0.000 4.009 555 I HA 0.278 4.450 4.170 0.003 0.000 0.331 555 I C -0.484 175.660 176.117 0.046 0.000 1.462 555 I CA -0.475 60.881 61.300 0.093 0.000 1.117 555 I CB 0.263 38.347 38.000 0.140 0.000 1.091 555 I HN 0.496 nan 8.210 nan 0.000 0.410 556 D N -0.101 120.294 120.400 -0.008 0.000 2.904 556 D HA 0.239 4.881 4.640 0.003 0.000 0.290 556 D C 1.076 177.306 176.300 -0.117 0.000 1.180 556 D CA 0.208 54.198 54.000 -0.017 0.000 1.065 556 D CB 0.266 41.097 40.800 0.052 0.000 1.386 556 D HN -0.073 nan 8.370 nan 0.000 0.599 557 S N -1.939 113.707 115.700 -0.089 0.000 2.447 557 S HA 0.246 4.718 4.470 0.003 0.000 0.233 557 S C 1.823 176.253 174.600 -0.284 0.000 1.006 557 S CA 1.236 59.346 58.200 -0.151 0.000 0.957 557 S CB -0.734 62.417 63.200 -0.082 0.000 0.773 557 S HN 1.619 nan 8.310 nan 0.000 0.507 558 G N 0.266 108.903 108.800 -0.272 0.000 2.195 558 G HA2 -0.170 3.792 3.960 0.003 0.000 0.224 558 G HA3 -0.170 3.792 3.960 0.003 0.000 0.224 558 G C -0.060 174.907 174.900 0.111 0.000 0.990 558 G CA 0.208 45.121 45.100 -0.311 0.000 0.639 558 G HN 0.519 nan 8.290 nan 0.000 0.514 559 L N 0.000 121.242 121.223 0.032 0.000 2.949 559 L HA 0.000 4.342 4.340 0.003 0.000 0.249 559 L CA 0.000 54.902 54.840 0.104 0.000 0.813 559 L CB 0.000 42.007 42.059 -0.087 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502