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 1gw0_1_B DATA FIRST_RESID 1 DATA SEQUENCE EPTcNTPSNR AcWSDGFDIN TDYEVSTPDT GVTQSYVFNL TEVDNWMGPD DATA SEQUENCE GVVKEKVMLI NGNIMGPNIV ANWGDTVEVT VINNLVTNGT SIHWHGIHQK 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 0.000 176.379 176.600 -0.369 0.000 1.382 1 E CA 0.000 56.344 56.400 -0.092 0.000 0.976 1 E CB 0.000 29.648 29.700 -0.087 0.000 0.812 2 P HA 0.263 nan 4.420 nan 0.000 0.274 2 P C 0.109 177.076 177.300 -0.556 0.000 1.246 2 P CA -0.131 62.261 63.100 -1.179 0.000 0.795 2 P CB 1.362 32.051 31.700 -1.684 0.000 1.006 3 T N -4.405 109.886 114.554 -0.438 0.000 3.092 3 T HA 0.074 4.424 4.350 0.000 0.000 0.273 3 T C 0.924 175.517 174.700 -0.177 0.000 0.898 3 T CA 0.300 62.256 62.100 -0.240 0.000 0.868 3 T CB -0.969 67.799 68.868 -0.166 0.000 1.228 3 T HN 0.607 nan 8.240 nan 0.000 0.555 4 c N 0.660 119.147 118.600 -0.189 0.000 3.486 4 c HA 0.510 5.080 4.570 0.000 0.000 0.264 4 c C 0.259 174.297 174.090 -0.087 0.000 1.756 4 c CA -1.240 55.026 56.329 -0.105 0.000 1.764 4 c CB -1.565 40.914 42.510 -0.052 0.000 3.238 4 c HN 0.475 nan 8.230 nan 0.000 0.524 5 N N 3.113 121.727 118.700 -0.144 0.000 2.437 5 N HA 0.371 5.111 4.740 0.000 0.000 0.243 5 N C -0.300 175.161 175.510 -0.082 0.000 1.041 5 N CA 0.854 53.863 53.050 -0.068 0.000 0.940 5 N CB 1.186 39.643 38.487 -0.049 0.000 1.133 5 N HN 0.779 nan 8.380 nan 0.000 0.506 6 T N 0.995 115.501 114.554 -0.080 0.000 2.916 6 T HA 0.438 4.788 4.350 0.000 0.000 0.292 6 T C -2.104 172.512 174.700 -0.140 0.000 1.064 6 T CA -1.665 60.379 62.100 -0.094 0.000 1.011 6 T CB 1.984 70.808 68.868 -0.072 0.000 1.152 6 T HN 0.049 nan 8.240 nan 0.000 0.510 7 P HA -0.162 nan 4.420 nan 0.000 0.216 7 P C 1.669 178.880 177.300 -0.149 0.000 1.154 7 P CA 1.729 64.725 63.100 -0.173 0.000 0.865 7 P CB -0.061 31.579 31.700 -0.099 0.000 0.789 8 S N -3.457 112.187 115.700 -0.094 0.000 2.562 8 S HA 0.043 4.513 4.470 0.000 0.000 0.221 8 S C 0.962 175.528 174.600 -0.058 0.000 0.975 8 S CA 0.190 58.352 58.200 -0.064 0.000 0.918 8 S CB -0.623 62.552 63.200 -0.041 0.000 0.772 8 S HN -0.002 nan 8.310 nan 0.000 0.531 9 N N 0.856 119.513 118.700 -0.073 0.000 2.726 9 N HA 0.285 5.026 4.740 0.000 0.000 0.253 9 N C 0.069 175.549 175.510 -0.050 0.000 1.530 9 N CA -0.329 52.694 53.050 -0.044 0.000 0.772 9 N CB 0.597 39.070 38.487 -0.023 0.000 1.220 9 N HN 0.019 nan 8.380 nan 0.000 0.508 10 R N 0.289 120.738 120.500 -0.086 0.000 2.299 10 R HA 0.205 4.545 4.340 0.000 0.000 0.197 10 R C 1.407 177.729 176.300 0.037 0.000 0.971 10 R CA 0.470 56.520 56.100 -0.083 0.000 1.030 10 R CB -0.199 29.954 30.300 -0.245 0.000 0.932 10 R HN 0.441 nan 8.270 nan 0.000 0.477 11 A N 0.374 123.222 122.820 0.047 0.000 1.970 11 A HA -0.053 4.267 4.320 0.000 0.000 0.216 11 A C 1.240 178.900 177.584 0.127 0.000 1.170 11 A CA 0.317 52.404 52.037 0.082 0.000 0.645 11 A CB -0.189 18.854 19.000 0.071 0.000 0.816 11 A HN 0.336 nan 8.150 nan 0.000 0.447 12 c N -1.352 117.320 118.600 0.119 0.000 2.534 12 c HA 0.446 5.016 4.570 0.000 0.000 0.385 12 c C 1.082 175.330 174.090 0.264 0.000 1.264 12 c CA -0.250 56.171 56.329 0.153 0.000 2.342 12 c CB 0.261 42.816 42.510 0.076 0.000 2.564 12 c HN 0.690 nan 8.230 nan 0.000 0.603 13 W N 2.108 123.451 121.300 0.072 0.000 5.217 13 W HA 0.302 4.963 4.660 0.001 0.000 0.176 13 W C 0.249 176.820 176.519 0.086 0.000 1.081 13 W CA 0.607 58.002 57.345 0.083 0.000 1.972 13 W CB -0.390 29.163 29.460 0.155 0.000 0.649 13 W HN 0.646 nan 8.180 nan 0.000 1.057 14 S N 0.941 116.785 115.700 0.239 0.000 2.588 14 S HA 0.256 4.726 4.470 0.000 0.000 0.269 14 S C -1.563 173.163 174.600 0.210 0.000 1.157 14 S CA -0.546 57.728 58.200 0.124 0.000 0.824 14 S CB 1.068 64.353 63.200 0.141 0.000 1.126 14 S HN 0.071 nan 8.310 nan 0.000 0.464 15 D N 1.481 121.957 120.400 0.125 0.000 2.472 15 D HA 0.356 4.996 4.640 0.000 0.000 0.248 15 D C 1.329 177.654 176.300 0.043 0.000 1.174 15 D CA 2.149 56.193 54.000 0.074 0.000 0.883 15 D CB 0.546 41.368 40.800 0.037 0.000 1.149 15 D HN 1.118 nan 8.370 nan 0.000 0.488 16 G N 2.290 111.040 108.800 -0.084 0.000 2.199 16 G HA2 -0.276 3.684 3.960 0.000 0.000 0.254 16 G HA3 -0.276 3.684 3.960 0.000 0.000 0.254 16 G C 0.088 174.595 174.900 -0.655 0.000 0.982 16 G CA -0.278 44.593 45.100 -0.381 0.000 0.632 16 G HN 0.441 nan 8.290 nan 0.000 0.529 17 F N 1.828 121.841 119.950 0.105 0.000 2.536 17 F HA 0.613 5.140 4.527 0.000 0.000 0.322 17 F C -0.051 175.957 175.800 0.347 0.000 1.144 17 F CA -0.413 57.708 58.000 0.202 0.000 0.924 17 F CB 2.148 41.156 39.000 0.013 0.000 1.181 17 F HN 0.256 nan 8.300 nan 0.000 0.438 18 D N 1.316 122.020 120.400 0.506 0.000 2.759 18 D HA 0.222 4.862 4.640 0.000 0.000 0.321 18 D C 0.429 176.899 176.300 0.284 0.000 1.267 18 D CA -0.669 53.548 54.000 0.361 0.000 0.933 18 D CB 0.520 41.457 40.800 0.228 0.000 1.431 18 D HN 0.277 nan 8.370 nan 0.000 0.504 19 I N 0.140 120.814 120.570 0.175 0.000 2.530 19 I HA -0.110 4.060 4.170 0.000 0.000 0.257 19 I C 0.805 177.046 176.117 0.207 0.000 1.179 19 I CA 1.506 62.900 61.300 0.158 0.000 1.440 19 I CB -0.775 37.300 38.000 0.124 0.000 1.087 19 I HN 0.427 nan 8.210 nan 0.000 0.440 20 N N -1.306 117.508 118.700 0.189 0.000 2.336 20 N HA 0.042 4.782 4.740 0.000 0.000 0.189 20 N C 0.070 175.690 175.510 0.182 0.000 1.113 20 N CA 0.009 53.157 53.050 0.163 0.000 0.858 20 N CB 0.170 38.727 38.487 0.116 0.000 0.970 20 N HN 0.212 nan 8.380 nan 0.000 0.471 21 T N 0.884 115.599 114.554 0.268 0.000 2.901 21 T HA -0.047 4.303 4.350 0.000 0.000 0.301 21 T C -0.095 174.785 174.700 0.300 0.000 1.012 21 T CA -0.029 62.253 62.100 0.303 0.000 1.135 21 T CB 0.917 70.092 68.868 0.510 0.000 0.936 21 T HN 0.021 nan 8.240 nan 0.000 0.539 22 D N 2.778 123.278 120.400 0.167 0.000 2.416 22 D HA 0.001 4.641 4.640 0.000 0.000 0.240 22 D C 1.036 177.384 176.300 0.080 0.000 1.250 22 D CA -0.624 53.380 54.000 0.007 0.000 0.967 22 D CB 0.024 40.812 40.800 -0.021 0.000 1.059 22 D HN 0.669 nan 8.370 nan 0.000 0.512 23 Y N 1.519 121.986 120.300 0.278 0.000 2.716 23 Y HA 0.048 4.598 4.550 0.000 0.000 0.302 23 Y C 1.234 177.278 175.900 0.241 0.000 1.160 23 Y CA 0.462 58.785 58.100 0.372 0.000 1.362 23 Y CB -0.381 38.139 38.460 0.099 0.000 0.988 23 Y HN 0.297 nan 8.280 nan 0.000 0.546 24 E N 0.400 120.519 120.200 -0.135 0.000 2.474 24 E HA 0.050 4.400 4.350 0.000 0.000 0.194 24 E C 1.133 177.769 176.600 0.061 0.000 1.041 24 E CA 0.878 57.278 56.400 -0.000 0.000 0.874 24 E CB 0.395 30.020 29.700 -0.125 0.000 0.914 24 E HN 0.569 nan 8.360 nan 0.000 0.498 25 V N -3.590 116.372 119.914 0.081 0.000 3.382 25 V HA 0.321 4.441 4.120 0.000 0.000 0.296 25 V C 0.107 176.281 176.094 0.133 0.000 1.529 25 V CA -0.542 61.808 62.300 0.084 0.000 1.048 25 V CB 1.230 33.077 31.823 0.039 0.000 0.878 25 V HN -0.044 nan 8.190 nan 0.000 0.442 26 S N 0.492 116.326 115.700 0.222 0.000 2.619 26 S HA 0.757 5.227 4.470 0.000 0.000 0.280 26 S C -0.623 174.217 174.600 0.401 0.000 1.150 26 S CA 0.020 58.391 58.200 0.284 0.000 0.978 26 S CB 1.880 65.235 63.200 0.259 0.000 1.041 26 S HN 0.528 nan 8.310 nan 0.000 0.485 27 T N 6.283 120.991 114.554 0.257 0.000 2.881 27 T HA 0.556 4.906 4.350 0.000 0.000 0.290 27 T C -2.932 171.572 174.700 -0.328 0.000 1.000 27 T CA -1.104 60.975 62.100 -0.034 0.000 0.978 27 T CB 1.846 70.733 68.868 0.031 0.000 0.997 27 T HN 0.465 nan 8.240 nan 0.000 0.443 28 P HA 0.214 nan 4.420 nan 0.000 0.282 28 P C -0.992 176.010 177.300 -0.498 0.000 1.262 28 P CA -0.364 62.024 63.100 -1.186 0.000 0.773 28 P CB 0.692 31.196 31.700 -1.993 0.000 0.879 29 D N 2.478 122.741 120.400 -0.229 0.000 2.347 29 D HA 0.042 4.682 4.640 0.000 0.000 0.235 29 D C 0.825 177.055 176.300 -0.118 0.000 1.149 29 D CA -0.390 53.527 54.000 -0.139 0.000 0.850 29 D CB 1.077 41.837 40.800 -0.066 0.000 1.061 29 D HN 0.296 nan 8.370 nan 0.000 0.487 30 T N -0.677 113.808 114.554 -0.114 0.000 3.054 30 T HA 0.225 4.575 4.350 0.000 0.000 0.259 30 T C 1.711 176.374 174.700 -0.061 0.000 1.092 30 T CA 0.597 62.648 62.100 -0.081 0.000 1.121 30 T CB -0.224 68.607 68.868 -0.061 0.000 0.912 30 T HN 0.757 nan 8.240 nan 0.000 0.489 31 G N 0.809 109.571 108.800 -0.062 0.000 2.189 31 G HA2 -0.237 3.724 3.960 0.000 0.000 0.267 31 G HA3 -0.237 3.724 3.960 0.000 0.000 0.267 31 G C 0.098 174.963 174.900 -0.059 0.000 0.975 31 G CA 0.187 45.254 45.100 -0.055 0.000 0.644 31 G HN 0.739 nan 8.290 nan 0.000 0.537 32 V N 0.749 120.627 119.914 -0.061 0.000 2.539 32 V HA 0.726 4.846 4.120 0.000 0.000 0.292 32 V C 0.566 176.609 176.094 -0.084 0.000 1.045 32 V CA 0.161 62.423 62.300 -0.063 0.000 0.945 32 V CB 1.788 33.583 31.823 -0.047 0.000 0.993 32 V HN 0.271 nan 8.190 nan 0.000 0.464 33 T N 3.586 118.082 114.554 -0.097 0.000 2.861 33 T HA 0.486 4.836 4.350 0.000 0.000 0.287 33 T C -0.866 173.749 174.700 -0.140 0.000 1.003 33 T CA -0.448 61.571 62.100 -0.134 0.000 0.977 33 T CB 1.687 70.472 68.868 -0.138 0.000 0.996 33 T HN 0.605 nan 8.240 nan 0.000 0.448 34 Q N 1.598 121.298 119.800 -0.166 0.000 2.333 34 Q HA 0.624 4.964 4.340 0.000 0.000 0.268 34 Q C -1.039 174.826 176.000 -0.225 0.000 1.007 34 Q CA -0.221 55.479 55.803 -0.171 0.000 0.810 34 Q CB 1.303 30.009 28.738 -0.052 0.000 1.264 34 Q HN 0.642 nan 8.270 nan 0.000 0.452 35 S N 2.785 118.275 115.700 -0.350 0.000 2.578 35 S HA 0.776 5.247 4.470 0.000 0.000 0.301 35 S C -1.367 172.899 174.600 -0.556 0.000 1.091 35 S CA -0.393 57.621 58.200 -0.310 0.000 1.032 35 S CB 0.642 63.717 63.200 -0.209 0.000 1.064 35 S HN 0.490 nan 8.310 nan 0.000 0.508 36 Y N -0.460 119.784 120.300 -0.094 0.000 2.597 36 Y HA 0.573 5.123 4.550 0.001 0.000 0.340 36 Y C -0.715 175.170 175.900 -0.025 0.000 1.097 36 Y CA -1.029 57.078 58.100 0.012 0.000 1.037 36 Y CB 1.412 39.955 38.460 0.139 0.000 1.305 36 Y HN 0.319 nan 8.280 nan 0.000 0.463 37 V N 3.062 123.149 119.914 0.288 0.000 2.443 37 V HA 0.386 4.506 4.120 0.000 0.000 0.293 37 V C -0.979 175.407 176.094 0.487 0.000 1.021 37 V CA -0.938 61.498 62.300 0.226 0.000 0.848 37 V CB 1.077 32.984 31.823 0.141 0.000 0.998 37 V HN 0.613 nan 8.190 nan 0.000 0.424 38 F N 3.847 123.872 119.950 0.125 0.000 2.391 38 F HA 0.426 4.953 4.527 0.000 0.000 0.359 38 F C 0.603 176.455 175.800 0.085 0.000 1.122 38 F CA -0.582 57.484 58.000 0.109 0.000 1.120 38 F CB 1.335 40.399 39.000 0.106 0.000 1.142 38 F HN 0.447 nan 8.300 nan 0.000 0.483 39 N N 5.828 124.671 118.700 0.237 0.000 2.457 39 N HA 0.278 5.018 4.740 0.000 0.000 0.250 39 N C -1.084 174.487 175.510 0.102 0.000 0.982 39 N CA -0.311 52.824 53.050 0.142 0.000 0.941 39 N CB 0.839 39.388 38.487 0.104 0.000 1.120 39 N HN 0.570 nan 8.380 nan 0.000 0.505 40 L N 3.327 124.605 121.223 0.091 0.000 2.260 40 L HA 0.364 4.705 4.340 0.000 0.000 0.289 40 L C 0.605 177.494 176.870 0.031 0.000 1.057 40 L CA -0.480 54.393 54.840 0.056 0.000 0.811 40 L CB 0.762 42.855 42.059 0.055 0.000 1.184 40 L HN 0.531 nan 8.230 nan 0.000 0.429 41 T N -0.692 113.873 114.554 0.018 0.000 2.924 41 T HA 0.456 4.806 4.350 0.000 0.000 0.291 41 T C -0.600 174.103 174.700 0.005 0.000 1.045 41 T CA -0.892 61.218 62.100 0.016 0.000 1.015 41 T CB 2.686 71.567 68.868 0.022 0.000 1.103 41 T HN 0.529 nan 8.240 nan 0.000 0.496 42 E N 1.051 121.262 120.200 0.019 0.000 2.151 42 E HA 0.566 4.916 4.350 0.000 0.000 0.275 42 E C -1.465 175.155 176.600 0.034 0.000 0.936 42 E CA -0.866 55.549 56.400 0.026 0.000 0.777 42 E CB 1.137 30.867 29.700 0.050 0.000 1.108 42 E HN 0.542 nan 8.360 nan 0.000 0.401 43 V N 5.092 125.021 119.914 0.024 0.000 2.483 43 V HA 0.241 4.361 4.120 0.000 0.000 0.297 43 V C -0.535 175.623 176.094 0.106 0.000 1.027 43 V CA -1.025 61.314 62.300 0.065 0.000 0.855 43 V CB 1.727 33.590 31.823 0.067 0.000 0.995 43 V HN 0.736 nan 8.190 nan 0.000 0.424 44 D N 4.032 124.501 120.400 0.115 0.000 2.264 44 D HA 0.242 4.882 4.640 0.000 0.000 0.249 44 D C 0.278 176.667 176.300 0.149 0.000 1.070 44 D CA -0.108 53.965 54.000 0.120 0.000 0.912 44 D CB 0.752 41.606 40.800 0.091 0.000 1.193 44 D HN 0.607 nan 8.370 nan 0.000 0.427 45 N N 0.970 119.756 118.700 0.144 0.000 2.688 45 N HA -0.239 4.501 4.740 0.000 0.000 0.258 45 N C -0.866 174.755 175.510 0.185 0.000 1.016 45 N CA 0.383 53.510 53.050 0.129 0.000 0.747 45 N CB -1.260 37.273 38.487 0.077 0.000 0.895 45 N HN 0.539 nan 8.380 nan 0.000 0.543 46 W N 1.504 122.828 121.300 0.039 0.000 2.287 46 W HA 0.430 5.090 4.660 -0.000 0.000 0.313 46 W C 0.704 177.250 176.519 0.045 0.000 1.267 46 W CA -0.967 56.407 57.345 0.049 0.000 1.201 46 W CB 0.420 29.923 29.460 0.072 0.000 1.196 46 W HN 0.247 nan 8.180 nan 0.000 0.536 47 M N 7.252 126.534 119.600 -0.529 0.000 2.292 47 M HA 0.353 4.834 4.480 0.000 0.000 0.342 47 M C 0.402 176.057 176.300 -1.075 0.000 1.538 47 M CA 0.462 55.418 55.300 -0.574 0.000 1.163 47 M CB -0.109 32.239 32.600 -0.420 0.000 1.823 47 M HN 0.476 nan 8.290 nan 0.000 0.462 48 G N 5.537 113.960 108.800 -0.629 0.000 2.599 48 G HA2 0.428 4.388 3.960 0.000 0.000 0.264 48 G HA3 0.428 4.388 3.960 0.000 0.000 0.264 48 G C -1.832 172.841 174.900 -0.378 0.000 1.200 48 G CA -1.096 43.678 45.100 -0.543 0.000 0.896 48 G HN 0.713 nan 8.290 nan 0.000 0.536 49 P HA -0.028 nan 4.420 nan 0.000 0.226 49 P C 0.396 177.622 177.300 -0.124 0.000 1.153 49 P CA 1.099 64.090 63.100 -0.182 0.000 0.777 49 P CB 0.326 31.925 31.700 -0.169 0.000 0.794 50 D N -1.786 118.584 120.400 -0.051 0.000 2.402 50 D HA 0.172 4.812 4.640 0.000 0.000 0.216 50 D C 1.351 177.643 176.300 -0.013 0.000 1.128 50 D CA 0.058 54.054 54.000 -0.005 0.000 0.833 50 D CB -0.293 40.567 40.800 0.101 0.000 0.971 50 D HN 0.215 nan 8.370 nan 0.000 0.503 51 G N -0.387 108.374 108.800 -0.065 0.000 2.258 51 G HA2 -0.255 3.705 3.960 0.000 0.000 0.233 51 G HA3 -0.255 3.705 3.960 0.000 0.000 0.233 51 G C 0.148 174.982 174.900 -0.111 0.000 1.006 51 G CA 0.114 45.163 45.100 -0.085 0.000 0.620 51 G HN 0.362 nan 8.290 nan 0.000 0.511 52 V N 1.639 121.480 119.914 -0.120 0.000 2.607 52 V HA 0.525 4.645 4.120 0.000 0.000 0.289 52 V C 0.865 176.837 176.094 -0.204 0.000 1.053 52 V CA -0.516 61.634 62.300 -0.251 0.000 0.996 52 V CB 1.826 33.274 31.823 -0.626 0.000 0.995 52 V HN 0.288 nan 8.190 nan 0.000 0.476 53 V N 5.927 125.729 119.914 -0.186 0.000 2.348 53 V HA 0.261 4.382 4.120 0.000 0.000 0.270 53 V C 0.519 176.591 176.094 -0.036 0.000 1.037 53 V CA -0.770 61.475 62.300 -0.092 0.000 0.872 53 V CB 0.718 32.501 31.823 -0.067 0.000 1.002 53 V HN 0.776 nan 8.190 nan 0.000 0.464 54 K N 3.397 123.859 120.400 0.105 0.000 2.237 54 K HA 0.161 4.482 4.320 0.000 0.000 0.270 54 K C 1.229 177.919 176.600 0.150 0.000 1.015 54 K CA -0.267 56.114 56.287 0.156 0.000 0.949 54 K CB 1.618 34.305 32.500 0.311 0.000 0.976 54 K HN 0.766 nan 8.250 nan 0.000 0.472 55 E N 2.068 122.333 120.200 0.109 0.000 2.051 55 E HA -0.163 4.187 4.350 0.000 0.000 0.192 55 E C -0.115 176.553 176.600 0.112 0.000 0.991 55 E CA 1.433 57.888 56.400 0.091 0.000 0.799 55 E CB 0.384 30.123 29.700 0.065 0.000 0.748 55 E HN 0.386 nan 8.360 nan 0.000 0.449 56 K N -0.005 120.466 120.400 0.119 0.000 2.550 56 K HA 0.305 4.626 4.320 0.000 0.000 0.252 56 K C -1.464 175.187 176.600 0.084 0.000 0.943 56 K CA -0.632 55.718 56.287 0.104 0.000 0.806 56 K CB 2.161 34.710 32.500 0.083 0.000 1.289 56 K HN 0.044 nan 8.250 nan 0.000 0.435 57 V N 0.225 120.155 119.914 0.027 0.000 3.040 57 V HA 0.667 4.787 4.120 0.000 0.000 0.312 57 V C -0.727 175.310 176.094 -0.095 0.000 1.115 57 V CA -1.134 61.117 62.300 -0.081 0.000 0.998 57 V CB 1.992 33.612 31.823 -0.338 0.000 1.042 57 V HN 0.786 nan 8.190 nan 0.000 0.433 58 M N 3.654 123.200 119.600 -0.089 0.000 2.085 58 M HA 0.625 5.106 4.480 0.000 0.000 0.309 58 M C -1.276 174.969 176.300 -0.092 0.000 0.947 58 M CA -0.180 55.090 55.300 -0.051 0.000 0.918 58 M CB 1.747 34.358 32.600 0.019 0.000 1.504 58 M HN 0.560 nan 8.290 nan 0.000 0.420 59 L N 3.660 124.817 121.223 -0.109 0.000 2.322 59 L HA 0.707 5.047 4.340 0.000 0.000 0.269 59 L C -0.576 176.265 176.870 -0.048 0.000 1.012 59 L CA -0.994 53.777 54.840 -0.115 0.000 0.815 59 L CB 2.181 44.135 42.059 -0.175 0.000 1.295 59 L HN 0.636 nan 8.230 nan 0.000 0.438 60 I N 2.250 122.786 120.570 -0.056 0.000 2.330 60 I HA 0.259 4.429 4.170 0.000 0.000 0.289 60 I C -0.368 175.722 176.117 -0.045 0.000 1.001 60 I CA -0.470 60.795 61.300 -0.057 0.000 1.193 60 I CB 1.075 38.970 38.000 -0.175 0.000 1.345 60 I HN 0.660 nan 8.210 nan 0.000 0.461 61 N N 4.843 123.548 118.700 0.009 0.000 2.740 61 N HA -0.188 4.552 4.740 0.000 0.000 0.248 61 N C 0.953 176.484 175.510 0.035 0.000 1.062 61 N CA 1.261 54.333 53.050 0.036 0.000 0.704 61 N CB -1.299 37.215 38.487 0.045 0.000 0.968 61 N HN 1.135 nan 8.380 nan 0.000 0.547 62 G N -1.302 107.513 108.800 0.026 0.000 2.233 62 G HA2 -0.366 3.594 3.960 0.000 0.000 0.270 62 G HA3 -0.366 3.594 3.960 0.000 0.000 0.270 62 G C 0.070 175.012 174.900 0.069 0.000 1.011 62 G CA 0.737 45.863 45.100 0.044 0.000 0.762 62 G HN 0.616 nan 8.290 nan 0.000 0.511 63 N N -1.192 117.527 118.700 0.032 0.000 2.453 63 N HA 0.463 5.203 4.740 0.000 0.000 0.290 63 N C 1.328 176.842 175.510 0.008 0.000 1.250 63 N CA -0.369 52.722 53.050 0.068 0.000 0.815 63 N CB 1.436 39.955 38.487 0.052 0.000 1.381 63 N HN 0.023 nan 8.380 nan 0.000 0.510 64 I N -0.143 120.476 120.570 0.082 0.000 2.361 64 I HA -0.032 4.139 4.170 0.000 0.000 0.251 64 I C 0.251 176.347 176.117 -0.036 0.000 1.133 64 I CA 1.338 62.642 61.300 0.007 0.000 1.413 64 I CB 0.244 38.348 38.000 0.175 0.000 1.073 64 I HN 0.372 nan 8.210 nan 0.000 0.424 65 M N -0.506 119.082 119.600 -0.020 0.000 2.591 65 M HA 0.402 4.882 4.480 0.000 0.000 0.306 65 M C 0.293 176.560 176.300 -0.056 0.000 1.190 65 M CA -0.563 54.709 55.300 -0.046 0.000 0.889 65 M CB 1.840 34.408 32.600 -0.053 0.000 1.728 65 M HN 0.052 nan 8.290 nan 0.000 0.458 66 G N 1.549 110.302 108.800 -0.079 0.000 2.683 66 G HA2 0.406 4.367 3.960 0.000 0.000 0.260 66 G HA3 0.406 4.367 3.960 0.000 0.000 0.260 66 G C -2.645 172.219 174.900 -0.060 0.000 1.238 66 G CA -0.814 44.202 45.100 -0.140 0.000 0.934 66 G HN 0.398 nan 8.290 nan 0.000 0.534 67 P HA 0.083 nan 4.420 nan 0.000 0.271 67 P C -0.708 176.657 177.300 0.107 0.000 1.218 67 P CA -0.588 62.540 63.100 0.047 0.000 0.780 67 P CB 0.752 32.535 31.700 0.138 0.000 0.901 68 N N 2.182 120.949 118.700 0.111 0.000 2.427 68 N HA 0.139 4.879 4.740 0.000 0.000 0.269 68 N C 0.202 175.760 175.510 0.080 0.000 1.235 68 N CA 0.198 53.317 53.050 0.115 0.000 0.934 68 N CB -0.380 38.169 38.487 0.104 0.000 1.121 68 N HN 0.380 nan 8.380 nan 0.000 0.480 69 I N 2.302 122.895 120.570 0.039 0.000 2.441 69 I HA 0.137 4.307 4.170 0.000 0.000 0.287 69 I C -0.098 176.085 176.117 0.110 0.000 1.049 69 I CA -0.344 60.865 61.300 -0.152 0.000 1.381 69 I CB 0.626 38.573 38.000 -0.088 0.000 1.409 69 I HN 0.016 nan 8.210 nan 0.000 0.523 70 V N 5.794 125.843 119.914 0.225 0.000 2.686 70 V HA 0.882 5.002 4.120 0.000 0.000 0.306 70 V C -0.230 175.983 176.094 0.200 0.000 1.065 70 V CA -0.420 62.001 62.300 0.202 0.000 0.894 70 V CB 1.643 33.578 31.823 0.187 0.000 1.004 70 V HN 0.928 nan 8.190 nan 0.000 0.424 71 A N 3.984 126.898 122.820 0.157 0.000 2.564 71 A HA 0.809 5.130 4.320 0.000 0.000 0.291 71 A C -1.497 176.182 177.584 0.158 0.000 1.102 71 A CA -0.761 51.355 52.037 0.131 0.000 0.660 71 A CB 1.579 20.628 19.000 0.081 0.000 1.283 71 A HN 0.632 nan 8.150 nan 0.000 0.430 72 N N -0.532 118.273 118.700 0.175 0.000 2.477 72 N HA 0.358 5.098 4.740 0.000 0.000 0.284 72 N C -0.929 174.732 175.510 0.253 0.000 1.182 72 N CA -0.268 52.944 53.050 0.270 0.000 0.949 72 N CB 0.774 39.492 38.487 0.385 0.000 1.204 72 N HN 0.718 nan 8.380 nan 0.000 0.526 73 W N 1.147 122.438 121.300 -0.015 0.000 2.489 73 W HA 0.318 4.978 4.660 0.001 0.000 0.327 73 W C 1.073 177.558 176.519 -0.057 0.000 1.436 73 W CA 0.633 57.923 57.345 -0.091 0.000 1.315 73 W CB -0.881 28.377 29.460 -0.336 0.000 1.373 73 W HN 0.823 nan 8.180 nan 0.000 0.557 74 G N 3.477 112.334 108.800 0.095 0.000 2.238 74 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 74 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 74 G C 0.298 175.165 174.900 -0.055 0.000 0.996 74 G CA -0.021 45.001 45.100 -0.130 0.000 0.632 74 G HN 0.514 nan 8.290 nan 0.000 0.503 75 D N 0.839 121.237 120.400 -0.003 0.000 2.372 75 D HA 0.531 5.171 4.640 0.000 0.000 0.243 75 D C 0.613 176.863 176.300 -0.082 0.000 1.297 75 D CA 0.835 54.811 54.000 -0.040 0.000 0.958 75 D CB 0.371 41.158 40.800 -0.021 0.000 1.114 75 D HN 0.136 nan 8.370 nan 0.000 0.496 76 T N -0.092 114.374 114.554 -0.147 0.000 2.856 76 T HA 0.492 4.842 4.350 0.000 0.000 0.283 76 T C -0.466 173.999 174.700 -0.392 0.000 1.008 76 T CA -0.643 61.310 62.100 -0.244 0.000 0.997 76 T CB 1.555 70.299 68.868 -0.206 0.000 0.992 76 T HN -0.038 nan 8.240 nan 0.000 0.454 77 V N 2.811 122.282 119.914 -0.738 0.000 2.417 77 V HA 0.507 4.627 4.120 0.000 0.000 0.291 77 V C -0.070 175.465 176.094 -0.931 0.000 1.024 77 V CA -0.656 61.083 62.300 -0.936 0.000 0.861 77 V CB 1.638 32.446 31.823 -1.691 0.000 0.985 77 V HN 0.860 nan 8.190 nan 0.000 0.436 78 E N 3.250 123.131 120.200 -0.533 0.000 2.222 78 E HA 0.751 5.101 4.350 0.000 0.000 0.267 78 E C -1.894 174.539 176.600 -0.279 0.000 0.884 78 E CA -0.478 55.685 56.400 -0.395 0.000 0.764 78 E CB 2.318 31.866 29.700 -0.254 0.000 1.169 78 E HN 0.459 nan 8.360 nan 0.000 0.413 79 V N 3.160 122.922 119.914 -0.255 0.000 2.569 79 V HA 0.290 4.410 4.120 0.000 0.000 0.301 79 V C -0.528 175.507 176.094 -0.098 0.000 1.044 79 V CA -0.785 61.363 62.300 -0.253 0.000 0.874 79 V CB 2.130 33.653 31.823 -0.499 0.000 1.002 79 V HN 0.732 nan 8.190 nan 0.000 0.424 80 T N 4.422 118.918 114.554 -0.097 0.000 2.744 80 T HA 0.520 4.870 4.350 0.000 0.000 0.291 80 T C -0.228 174.483 174.700 0.019 0.000 0.957 80 T CA -0.256 61.834 62.100 -0.016 0.000 1.002 80 T CB 1.340 70.204 68.868 -0.006 0.000 0.919 80 T HN 0.357 nan 8.240 nan 0.000 0.468 81 V N 5.726 125.695 119.914 0.091 0.000 2.347 81 V HA 0.445 4.566 4.120 0.000 0.000 0.280 81 V C -0.079 176.080 176.094 0.109 0.000 1.021 81 V CA -0.719 61.677 62.300 0.161 0.000 0.847 81 V CB 1.038 33.038 31.823 0.294 0.000 0.990 81 V HN 0.795 nan 8.190 nan 0.000 0.444 82 I N 4.582 125.220 120.570 0.114 0.000 2.355 82 I HA 0.351 4.521 4.170 0.000 0.000 0.288 82 I C 0.115 176.267 176.117 0.059 0.000 0.999 82 I CA -0.415 60.925 61.300 0.068 0.000 1.163 82 I CB 1.405 39.443 38.000 0.063 0.000 1.316 82 I HN 0.467 nan 8.210 nan 0.000 0.454 83 N N 6.260 124.971 118.700 0.019 0.000 2.482 83 N HA 0.115 4.856 4.740 0.000 0.000 0.242 83 N C -0.159 175.336 175.510 -0.025 0.000 1.100 83 N CA 0.113 53.156 53.050 -0.013 0.000 0.946 83 N CB 0.232 38.681 38.487 -0.062 0.000 1.227 83 N HN 0.434 nan 8.380 nan 0.000 0.508 84 N N 3.425 122.123 118.700 -0.004 0.000 2.376 84 N HA 0.148 4.889 4.740 0.000 0.000 0.249 84 N C -0.070 175.437 175.510 -0.005 0.000 1.140 84 N CA -0.084 52.963 53.050 -0.004 0.000 0.870 84 N CB 0.530 39.027 38.487 0.015 0.000 1.124 84 N HN 0.477 nan 8.380 nan 0.000 0.505 85 L N -0.425 120.786 121.223 -0.020 0.000 2.468 85 L HA 0.220 4.560 4.340 0.000 0.000 0.254 85 L C 1.886 178.756 176.870 0.001 0.000 1.171 85 L CA -0.472 54.367 54.840 -0.003 0.000 0.809 85 L CB 0.785 42.836 42.059 -0.013 0.000 1.155 85 L HN -0.156 nan 8.230 nan 0.000 0.473 86 V N -0.664 119.275 119.914 0.043 0.000 2.346 86 V HA -0.153 3.967 4.120 0.000 0.000 0.244 86 V C 1.870 178.007 176.094 0.072 0.000 1.037 86 V CA 2.276 64.610 62.300 0.056 0.000 1.029 86 V CB -0.472 31.404 31.823 0.088 0.000 0.663 86 V HN 1.090 nan 8.190 nan 0.000 0.454 87 T N -4.481 110.155 114.554 0.136 0.000 3.028 87 T HA 0.143 4.493 4.350 0.000 0.000 0.250 87 T C 0.728 175.583 174.700 0.259 0.000 0.979 87 T CA -0.203 62.036 62.100 0.232 0.000 1.004 87 T CB -0.458 68.579 68.868 0.281 0.000 1.120 87 T HN 0.344 nan 8.240 nan 0.000 0.482 88 N N 1.783 120.599 118.700 0.193 0.000 2.407 88 N HA 0.353 5.093 4.740 0.000 0.000 0.250 88 N C 0.358 175.673 175.510 -0.325 0.000 1.236 88 N CA 0.241 53.298 53.050 0.012 0.000 0.879 88 N CB 0.545 39.010 38.487 -0.036 0.000 1.088 88 N HN 0.558 nan 8.380 nan 0.000 0.450 89 G N -0.086 108.162 108.800 -0.920 0.000 2.535 89 G HA2 0.476 4.436 3.960 0.000 0.000 0.303 89 G HA3 0.476 4.436 3.960 0.000 0.000 0.303 89 G C -0.549 173.570 174.900 -1.303 0.000 1.237 89 G CA -0.119 44.448 45.100 -0.889 0.000 0.986 89 G HN 0.446 nan 8.290 nan 0.000 0.494 90 T N -1.777 112.319 114.554 -0.763 0.000 2.830 90 T HA 0.591 4.941 4.350 0.000 0.000 0.322 90 T C -1.266 173.328 174.700 -0.177 0.000 1.501 90 T CA 0.029 61.876 62.100 -0.422 0.000 1.036 90 T CB 1.292 70.030 68.868 -0.217 0.000 1.379 90 T HN 1.529 nan 8.240 nan 0.000 0.493 91 S N 2.808 118.498 115.700 -0.017 0.000 2.562 91 S HA 0.616 5.086 4.470 0.000 0.000 0.274 91 S C -1.470 173.130 174.600 -0.001 0.000 1.160 91 S CA -0.953 57.297 58.200 0.082 0.000 0.933 91 S CB 0.934 64.185 63.200 0.085 0.000 1.100 91 S HN 0.617 nan 8.310 nan 0.000 0.468 92 I N 3.983 124.445 120.570 -0.181 0.000 2.312 92 I HA 0.361 4.531 4.170 0.000 0.000 0.290 92 I C 0.272 175.761 176.117 -1.047 0.000 1.008 92 I CA -0.222 60.701 61.300 -0.629 0.000 1.226 92 I CB 0.377 37.871 38.000 -0.843 0.000 1.371 92 I HN 0.967 nan 8.210 nan 0.000 0.468 93 H N 6.497 124.987 119.070 -0.967 0.000 2.473 93 H HA 0.380 4.936 4.556 0.000 0.000 0.327 93 H C -1.406 173.162 175.328 -1.267 0.000 1.105 93 H CA -0.490 55.000 56.048 -0.931 0.000 1.280 93 H CB 0.775 30.232 29.762 -0.509 0.000 1.450 93 H HN 0.403 nan 8.280 nan 0.000 0.492 94 W N 5.028 125.713 121.300 -1.025 0.000 2.296 94 W HA 0.200 4.861 4.660 0.001 0.000 0.333 94 W C -0.143 175.696 176.519 -1.133 0.000 0.931 94 W CA -0.928 55.865 57.345 -0.921 0.000 1.538 94 W CB -0.431 28.484 29.460 -0.908 0.000 1.417 94 W HN 0.703 nan 8.180 nan 0.000 0.380 95 H N 2.056 120.392 119.070 -1.224 0.000 3.248 95 H HA 0.263 4.819 4.556 0.000 0.000 0.258 95 H C 1.441 176.539 175.328 -0.382 0.000 0.923 95 H CA 1.722 57.269 56.048 -0.835 0.000 1.416 95 H CB 0.113 29.194 29.762 -1.134 0.000 1.523 95 H HN 0.819 nan 8.280 nan 0.000 0.528 96 G N 4.620 113.398 108.800 -0.036 0.000 2.253 96 G HA2 -0.216 3.745 3.960 0.000 0.000 0.209 96 G HA3 -0.216 3.745 3.960 0.000 0.000 0.209 96 G C -0.122 174.646 174.900 -0.220 0.000 0.997 96 G CA -0.027 45.070 45.100 -0.005 0.000 0.640 96 G HN 0.527 nan 8.290 nan 0.000 0.496 97 I N 3.071 123.453 120.570 -0.315 0.000 2.291 97 I HA 0.345 4.515 4.170 0.000 0.000 0.292 97 I C 1.430 177.420 176.117 -0.212 0.000 1.064 97 I CA -0.717 60.326 61.300 -0.428 0.000 1.269 97 I CB 0.544 38.060 38.000 -0.806 0.000 1.418 97 I HN 0.040 nan 8.210 nan 0.000 0.485 98 H N 5.191 124.115 119.070 -0.244 0.000 2.489 98 H HA -0.093 4.463 4.556 0.000 0.000 0.295 98 H C 0.449 175.621 175.328 -0.260 0.000 1.082 98 H CA 0.534 56.395 56.048 -0.312 0.000 1.295 98 H CB 0.074 29.660 29.762 -0.294 0.000 1.380 98 H HN 0.447 nan 8.280 nan 0.000 0.548 99 Q N -0.157 119.660 119.800 0.029 0.000 2.463 99 Q HA -0.210 4.130 4.340 0.000 0.000 0.299 99 Q C 0.034 176.154 176.000 0.201 0.000 1.353 99 Q CA 0.513 56.417 55.803 0.168 0.000 0.828 99 Q CB -1.735 27.219 28.738 0.361 0.000 1.157 99 Q HN 0.455 nan 8.270 nan 0.000 0.436 100 K N 1.952 122.418 120.400 0.110 0.000 2.430 100 K HA -0.054 4.267 4.320 0.000 0.000 0.280 100 K C 0.334 177.021 176.600 0.145 0.000 1.063 100 K CA 0.761 57.105 56.287 0.096 0.000 1.071 100 K CB 0.229 32.775 32.500 0.076 0.000 0.899 100 K HN 0.217 nan 8.250 nan 0.000 0.473 101 D N 2.143 122.649 120.400 0.178 0.000 3.039 101 D HA -0.190 4.450 4.640 0.000 0.000 0.222 101 D C -0.325 176.077 176.300 0.170 0.000 1.179 101 D CA 1.802 55.898 54.000 0.160 0.000 0.880 101 D CB -1.227 39.638 40.800 0.108 0.000 1.115 101 D HN 0.738 nan 8.370 nan 0.000 0.416 102 T N -3.037 111.655 114.554 0.230 0.000 3.448 102 T HA 0.158 4.508 4.350 0.000 0.000 0.271 102 T C 0.930 175.821 174.700 0.318 0.000 1.002 102 T CA -0.255 62.001 62.100 0.260 0.000 0.995 102 T CB 0.265 69.270 68.868 0.230 0.000 1.153 102 T HN 0.140 nan 8.240 nan 0.000 0.510 103 N N 1.075 119.910 118.700 0.224 0.000 2.137 103 N HA -0.096 4.645 4.740 0.000 0.000 0.190 103 N C 1.354 176.874 175.510 0.016 0.000 1.017 103 N CA 0.958 54.015 53.050 0.011 0.000 0.859 103 N CB -0.073 38.202 38.487 -0.353 0.000 1.002 103 N HN 0.426 nan 8.380 nan 0.000 0.428 104 L N 0.211 121.461 121.223 0.045 0.000 2.633 104 L HA -0.069 4.271 4.340 0.000 0.000 0.235 104 L C 0.803 177.680 176.870 0.011 0.000 1.163 104 L CA 0.952 55.789 54.840 -0.004 0.000 0.859 104 L CB -0.737 41.281 42.059 -0.070 0.000 0.973 104 L HN 0.354 nan 8.230 nan 0.000 0.451 105 H N -2.075 117.154 119.070 0.265 0.000 2.674 105 H HA 0.036 4.592 4.556 0.000 0.000 0.274 105 H C 1.036 176.676 175.328 0.519 0.000 1.121 105 H CA 0.008 56.325 56.048 0.448 0.000 1.132 105 H CB 0.741 30.738 29.762 0.392 0.000 1.606 105 H HN 0.250 nan 8.280 nan 0.000 0.558 106 D N 0.448 121.126 120.400 0.464 0.000 2.224 106 D HA -0.049 4.592 4.640 0.000 0.000 0.205 106 D C 1.730 178.265 176.300 0.393 0.000 0.965 106 D CA 1.316 55.591 54.000 0.457 0.000 0.852 106 D CB 0.175 41.225 40.800 0.416 0.000 0.947 106 D HN 0.533 nan 8.370 nan 0.000 0.494 107 G N -0.743 108.260 108.800 0.338 0.000 2.137 107 G HA2 -0.156 3.805 3.960 0.000 0.000 0.237 107 G HA3 -0.156 3.805 3.960 0.000 0.000 0.237 107 G C 0.272 175.255 174.900 0.138 0.000 1.002 107 G CA 0.261 45.489 45.100 0.213 0.000 0.702 107 G HN 0.676 nan 8.290 nan 0.000 0.515 108 A N 1.110 123.986 122.820 0.094 0.000 2.774 108 A HA 0.592 4.912 4.320 0.000 0.000 0.326 108 A C 0.757 178.331 177.584 -0.018 0.000 1.478 108 A CA 0.030 52.026 52.037 -0.069 0.000 1.099 108 A CB -0.452 18.461 19.000 -0.145 0.000 1.148 108 A HN 0.869 nan 8.150 nan 0.000 0.519 109 N N 1.518 120.239 118.700 0.035 0.000 2.412 109 N HA 0.265 5.006 4.740 0.000 0.000 0.254 109 N C 0.976 176.577 175.510 0.151 0.000 1.232 109 N CA 0.395 53.492 53.050 0.078 0.000 0.880 109 N CB 0.601 39.103 38.487 0.026 0.000 1.076 109 N HN 0.975 nan 8.380 nan 0.000 0.458 110 G N 0.151 109.044 108.800 0.154 0.000 2.217 110 G HA2 -0.293 3.667 3.960 0.000 0.000 0.246 110 G HA3 -0.293 3.667 3.960 0.000 0.000 0.246 110 G C 0.415 175.344 174.900 0.048 0.000 0.990 110 G CA 0.420 45.588 45.100 0.115 0.000 0.627 110 G HN 0.516 nan 8.290 nan 0.000 0.522 111 V N 0.304 120.231 119.914 0.022 0.000 3.240 111 V HA 0.212 4.332 4.120 0.000 0.000 0.218 111 V C 2.510 178.606 176.094 0.004 0.000 1.190 111 V CA 2.463 64.742 62.300 -0.035 0.000 1.280 111 V CB 0.007 31.754 31.823 -0.126 0.000 1.244 111 V HN 0.741 nan 8.190 nan 0.000 0.512 112 T N -0.774 113.790 114.554 0.017 0.000 3.086 112 T HA 0.289 4.639 4.350 0.000 0.000 0.250 112 T C 0.261 175.114 174.700 0.255 0.000 1.074 112 T CA 0.383 62.505 62.100 0.036 0.000 0.988 112 T CB -0.199 68.664 68.868 -0.008 0.000 0.988 112 T HN 0.778 nan 8.240 nan 0.000 0.530 113 E N -1.189 119.195 120.200 0.306 0.000 2.411 113 E HA 0.402 4.753 4.350 0.000 0.000 0.279 113 E C -1.665 174.949 176.600 0.025 0.000 1.132 113 E CA -1.190 55.386 56.400 0.292 0.000 0.876 113 E CB 0.296 30.098 29.700 0.169 0.000 1.335 113 E HN 0.078 nan 8.360 nan 0.000 0.436 114 c N 1.101 119.583 118.600 -0.196 0.000 2.351 114 c HA 0.587 5.157 4.570 0.000 0.000 0.359 114 c C -2.148 171.704 174.090 -0.398 0.000 1.193 114 c CA -1.060 55.094 56.329 -0.291 0.000 2.270 114 c CB 0.350 42.703 42.510 -0.260 0.000 2.369 114 c HN 0.589 nan 8.230 nan 0.000 0.553 115 P HA 0.243 nan 4.420 nan 0.000 0.272 115 P C -0.807 176.201 177.300 -0.487 0.000 1.230 115 P CA -0.001 62.615 63.100 -0.807 0.000 0.788 115 P CB 0.276 31.032 31.700 -1.572 0.000 0.949 116 I N 3.980 124.370 120.570 -0.301 0.000 2.379 116 I HA 0.158 4.328 4.170 0.000 0.000 0.290 116 I C -1.715 174.359 176.117 -0.071 0.000 1.063 116 I CA -2.200 59.025 61.300 -0.124 0.000 1.351 116 I CB 0.540 38.489 38.000 -0.085 0.000 1.410 116 I HN 0.184 nan 8.210 nan 0.000 0.505 117 P HA 0.076 nan 4.420 nan 0.000 0.268 117 P C -2.511 174.688 177.300 -0.170 0.000 1.208 117 P CA -0.923 62.215 63.100 0.064 0.000 0.777 117 P CB -0.116 31.612 31.700 0.046 0.000 0.875 118 P HA 0.035 nan 4.420 nan 0.000 0.302 118 P C -0.286 176.881 177.300 -0.221 0.000 1.301 118 P CA -0.124 62.814 63.100 -0.270 0.000 0.745 118 P CB 0.167 31.692 31.700 -0.293 0.000 1.331 119 K N -1.722 118.601 120.400 -0.128 0.000 3.069 119 K HA -0.174 4.146 4.320 0.000 0.000 0.267 119 K C 0.827 177.397 176.600 -0.050 0.000 1.082 119 K CA 0.658 56.902 56.287 -0.072 0.000 0.782 119 K CB -2.448 30.011 32.500 -0.068 0.000 1.230 119 K HN 0.981 nan 8.250 nan 0.000 0.488 120 G N -1.610 107.164 108.800 -0.043 0.000 2.168 120 G HA2 -0.167 3.793 3.960 0.000 0.000 0.197 120 G HA3 -0.167 3.793 3.960 0.000 0.000 0.197 120 G C 0.370 175.256 174.900 -0.023 0.000 0.997 120 G CA -0.244 44.843 45.100 -0.022 0.000 0.658 120 G HN 0.735 nan 8.290 nan 0.000 0.513 121 G N -0.117 108.658 108.800 -0.042 0.000 2.554 121 G HA2 0.593 4.553 3.960 0.000 0.000 0.238 121 G HA3 0.593 4.553 3.960 0.000 0.000 0.238 121 G C 0.033 174.921 174.900 -0.020 0.000 1.259 121 G CA 0.961 46.042 45.100 -0.032 0.000 0.843 121 G HN 1.345 nan 8.290 nan 0.000 0.582 122 Q N -0.691 119.097 119.800 -0.020 0.000 2.534 122 Q HA 0.758 5.098 4.340 0.000 0.000 0.290 122 Q C -0.976 174.995 176.000 -0.048 0.000 0.991 122 Q CA -1.303 54.489 55.803 -0.018 0.000 0.783 122 Q CB 2.230 30.965 28.738 -0.005 0.000 1.470 122 Q HN 0.749 nan 8.270 nan 0.000 0.406 123 R N -0.234 120.224 120.500 -0.069 0.000 2.634 123 R HA 0.493 4.833 4.340 0.000 0.000 0.263 123 R C -1.878 174.318 176.300 -0.173 0.000 1.060 123 R CA -0.195 55.812 56.100 -0.155 0.000 0.898 123 R CB 1.846 31.993 30.300 -0.254 0.000 1.253 123 R HN 0.628 nan 8.270 nan 0.000 0.461 124 T N 3.684 118.137 114.554 -0.168 0.000 2.770 124 T HA 0.449 4.799 4.350 0.000 0.000 0.283 124 T C -1.015 173.650 174.700 -0.059 0.000 0.988 124 T CA -0.192 61.857 62.100 -0.084 0.000 0.957 124 T CB 0.201 69.047 68.868 -0.037 0.000 0.930 124 T HN 0.360 nan 8.240 nan 0.000 0.443 125 Y N 2.019 122.396 120.300 0.130 0.000 2.320 125 Y HA 0.633 5.183 4.550 0.000 0.000 0.324 125 Y C 0.837 176.716 175.900 -0.034 0.000 1.190 125 Y CA -0.873 57.398 58.100 0.284 0.000 1.215 125 Y CB 1.156 39.846 38.460 0.384 0.000 1.221 125 Y HN 0.415 nan 8.280 nan 0.000 0.486 126 R N 4.096 124.576 120.500 -0.033 0.000 2.508 126 R HA 0.324 4.665 4.340 0.000 0.000 0.283 126 R C -2.218 173.813 176.300 -0.449 0.000 1.120 126 R CA -0.576 55.274 56.100 -0.418 0.000 0.958 126 R CB 1.158 31.254 30.300 -0.340 0.000 1.215 126 R HN 0.865 nan 8.270 nan 0.000 0.427 127 W N 2.850 123.921 121.300 -0.380 0.000 3.217 127 W HA 0.488 5.149 4.660 0.001 0.000 0.323 127 W C -1.371 175.030 176.519 -0.196 0.000 1.216 127 W CA -1.256 55.916 57.345 -0.288 0.000 1.194 127 W CB 0.616 29.906 29.460 -0.284 0.000 1.397 127 W HN 0.432 nan 8.180 nan 0.000 0.537 128 R N 2.072 122.658 120.500 0.144 0.000 2.340 128 R HA 0.507 4.847 4.340 0.000 0.000 0.300 128 R C -0.023 176.426 176.300 0.249 0.000 1.069 128 R CA -0.032 56.123 56.100 0.092 0.000 0.984 128 R CB 1.040 31.382 30.300 0.069 0.000 1.003 128 R HN 0.543 nan 8.270 nan 0.000 0.459 129 A N 5.620 128.559 122.820 0.198 0.000 2.797 129 A HA 0.175 4.495 4.320 0.000 0.000 0.296 129 A C 0.222 177.971 177.584 0.274 0.000 1.580 129 A CA -0.233 51.978 52.037 0.289 0.000 1.277 129 A CB -0.255 18.883 19.000 0.230 0.000 1.101 129 A HN 0.913 nan 8.150 nan 0.000 0.562 130 R N 0.536 121.171 120.500 0.225 0.000 2.334 130 R HA 0.125 4.465 4.340 0.000 0.000 0.220 130 R C 0.064 176.495 176.300 0.218 0.000 0.917 130 R CA 0.302 56.577 56.100 0.291 0.000 1.073 130 R CB 0.282 30.710 30.300 0.213 0.000 1.056 130 R HN 0.797 nan 8.270 nan 0.000 0.506 131 Q N 0.455 120.233 119.800 -0.036 0.000 2.268 131 Q HA 0.188 4.528 4.340 0.000 0.000 0.266 131 Q C -1.687 174.001 176.000 -0.520 0.000 1.006 131 Q CA -0.922 54.600 55.803 -0.469 0.000 0.824 131 Q CB 1.655 30.070 28.738 -0.538 0.000 1.306 131 Q HN 0.158 nan 8.270 nan 0.000 0.424 132 Y N 1.248 121.088 120.300 -0.768 0.000 2.334 132 Y HA 0.938 5.488 4.550 0.000 0.000 0.328 132 Y C 0.526 176.143 175.900 -0.471 0.000 1.130 132 Y CA 0.142 57.887 58.100 -0.591 0.000 1.163 132 Y CB 1.361 39.339 38.460 -0.804 0.000 1.207 132 Y HN 0.697 nan 8.280 nan 0.000 0.471 133 G N 1.021 109.702 108.800 -0.199 0.000 2.373 133 G HA2 0.281 4.241 3.960 0.000 0.000 0.250 133 G HA3 0.281 4.241 3.960 0.000 0.000 0.250 133 G C -1.489 173.348 174.900 -0.105 0.000 1.304 133 G CA -0.711 44.281 45.100 -0.180 0.000 0.948 133 G HN 0.683 nan 8.290 nan 0.000 0.474 134 T N 1.209 115.696 114.554 -0.111 0.000 2.791 134 T HA 0.780 5.130 4.350 0.000 0.000 0.288 134 T C -0.120 174.540 174.700 -0.066 0.000 0.999 134 T CA 0.033 62.092 62.100 -0.068 0.000 0.952 134 T CB 1.366 70.191 68.868 -0.071 0.000 0.938 134 T HN 0.691 nan 8.240 nan 0.000 0.444 135 S N 2.152 117.851 115.700 -0.002 0.000 2.900 135 S HA 0.865 5.335 4.470 0.000 0.000 0.320 135 S C -1.486 173.235 174.600 0.202 0.000 1.130 135 S CA -0.946 57.296 58.200 0.071 0.000 0.863 135 S CB 1.487 64.690 63.200 0.005 0.000 1.295 135 S HN 0.820 nan 8.310 nan 0.000 0.596 136 W N 0.415 121.618 121.300 -0.162 0.000 3.005 136 W HA 0.644 5.304 4.660 0.000 0.000 0.343 136 W C -2.510 173.923 176.519 -0.144 0.000 1.243 136 W CA -1.348 55.877 57.345 -0.199 0.000 1.186 136 W CB -0.194 29.064 29.460 -0.337 0.000 1.453 136 W HN 0.765 nan 8.180 nan 0.000 0.575 137 Y N 0.085 120.265 120.300 -0.201 0.000 2.576 137 Y HA 0.831 5.381 4.550 0.001 0.000 0.346 137 Y C -0.720 174.845 175.900 -0.559 0.000 1.018 137 Y CA -1.282 56.457 58.100 -0.600 0.000 1.050 137 Y CB 1.812 40.003 38.460 -0.448 0.000 1.280 137 Y HN 0.752 nan 8.280 nan 0.000 0.474 138 H N -1.751 117.010 119.070 -0.515 0.000 2.987 138 H HA 0.519 5.075 4.556 0.001 0.000 0.316 138 H C -1.317 173.850 175.328 -0.268 0.000 1.380 138 H CA -0.994 54.800 56.048 -0.425 0.000 1.160 138 H CB 0.900 30.123 29.762 -0.898 0.000 1.865 138 H HN 0.787 nan 8.280 nan 0.000 0.521 139 S N -0.454 115.317 115.700 0.119 0.000 2.593 139 S HA 0.091 4.561 4.470 0.000 0.000 0.269 139 S C -0.066 174.701 174.600 0.278 0.000 1.334 139 S CA -0.273 58.020 58.200 0.156 0.000 1.015 139 S CB 0.154 63.488 63.200 0.223 0.000 0.912 139 S HN 0.816 nan 8.310 nan 0.000 0.541 140 H N 2.493 121.680 119.070 0.194 0.000 2.662 140 H HA 0.249 4.805 4.556 0.000 0.000 0.268 140 H C -0.958 174.497 175.328 0.212 0.000 1.152 140 H CA -0.400 55.760 56.048 0.187 0.000 1.072 140 H CB -0.116 29.692 29.762 0.078 0.000 1.660 140 H HN 0.575 nan 8.280 nan 0.000 0.584 141 F N 1.997 122.068 119.950 0.202 0.000 2.515 141 F HA 0.273 4.800 4.527 0.001 0.000 0.353 141 F C 0.830 176.781 175.800 0.252 0.000 1.213 141 F CA 0.201 58.291 58.000 0.150 0.000 1.194 141 F CB -0.283 38.697 39.000 -0.033 0.000 1.488 141 F HN 0.067 nan 8.300 nan 0.000 0.619 142 S N 2.367 118.120 115.700 0.087 0.000 3.762 142 S HA -0.306 4.164 4.470 0.000 0.000 0.627 142 S C 0.927 175.604 174.600 0.128 0.000 2.389 142 S CA 0.848 59.092 58.200 0.072 0.000 3.978 142 S CB -1.403 61.799 63.200 0.004 0.000 0.234 142 S HN 1.046 nan 8.310 nan 0.000 0.960 143 A N 0.770 123.665 122.820 0.125 0.000 2.415 143 A HA 0.297 4.617 4.320 0.000 0.000 0.248 143 A C 1.617 179.228 177.584 0.044 0.000 1.299 143 A CA 1.154 53.224 52.037 0.055 0.000 0.899 143 A CB -0.416 18.684 19.000 0.166 0.000 0.997 143 A HN 0.602 nan 8.150 nan 0.000 0.506 144 Q N -0.157 119.752 119.800 0.183 0.000 2.133 144 Q HA -0.286 4.054 4.340 0.000 0.000 0.208 144 Q C 1.651 177.756 176.000 0.174 0.000 0.991 144 Q CA 2.507 58.443 55.803 0.221 0.000 0.867 144 Q CB -0.525 28.422 28.738 0.350 0.000 0.911 144 Q HN 0.952 nan 8.270 nan 0.000 0.417 145 Y N -1.389 118.980 120.300 0.116 0.000 2.556 145 Y HA 0.069 4.619 4.550 0.000 0.000 0.290 145 Y C 1.676 177.626 175.900 0.084 0.000 1.149 145 Y CA 0.974 59.128 58.100 0.089 0.000 1.329 145 Y CB -0.894 37.611 38.460 0.075 0.000 0.975 145 Y HN 0.071 nan 8.280 nan 0.000 0.561 146 G N 0.569 109.233 108.800 -0.226 0.000 2.534 146 G HA2 -0.204 3.756 3.960 0.000 0.000 0.217 146 G HA3 -0.204 3.756 3.960 0.000 0.000 0.217 146 G C 1.292 176.229 174.900 0.062 0.000 1.128 146 G CA 0.527 45.538 45.100 -0.150 0.000 0.784 146 G HN 0.419 nan 8.290 nan 0.000 0.542 147 N N 0.239 118.987 118.700 0.080 0.000 2.353 147 N HA 0.134 4.874 4.740 0.000 0.000 0.185 147 N C 1.611 177.144 175.510 0.038 0.000 1.098 147 N CA 0.943 54.039 53.050 0.077 0.000 0.872 147 N CB 0.754 39.285 38.487 0.074 0.000 0.970 147 N HN 0.416 nan 8.380 nan 0.000 0.467 148 G N -0.769 108.077 108.800 0.076 0.000 2.425 148 G HA2 -0.206 3.754 3.960 0.000 0.000 0.177 148 G HA3 -0.206 3.754 3.960 0.000 0.000 0.177 148 G C -0.140 174.794 174.900 0.056 0.000 0.999 148 G CA -0.302 44.817 45.100 0.032 0.000 0.723 148 G HN 0.101 nan 8.290 nan 0.000 0.491 149 V N 1.699 121.683 119.914 0.116 0.000 2.157 149 V HA 0.546 4.666 4.120 0.000 0.000 0.241 149 V C 0.467 176.652 176.094 0.152 0.000 1.349 149 V CA 0.478 62.852 62.300 0.124 0.000 1.319 149 V CB 0.299 32.209 31.823 0.145 0.000 1.421 149 V HN 0.836 nan 8.190 nan 0.000 0.501 150 V N 2.628 122.584 119.914 0.069 0.000 3.147 150 V HA 1.011 5.131 4.120 0.000 0.000 0.299 150 V C -0.159 175.749 176.094 -0.310 0.000 1.302 150 V CA 0.465 62.726 62.300 -0.065 0.000 1.015 150 V CB 2.404 34.288 31.823 0.102 0.000 1.086 150 V HN 0.715 nan 8.190 nan 0.000 0.437 151 G N 2.007 110.248 108.800 -0.932 0.000 2.600 151 G HA2 0.720 4.680 3.960 0.000 0.000 0.293 151 G HA3 0.720 4.680 3.960 0.000 0.000 0.293 151 G C -0.626 173.775 174.900 -0.832 0.000 1.408 151 G CA 0.122 44.675 45.100 -0.913 0.000 0.782 151 G HN 1.427 nan 8.290 nan 0.000 0.482 152 T N -2.128 112.261 114.554 -0.274 0.000 2.948 152 T HA 0.798 5.148 4.350 0.000 0.000 0.285 152 T C -0.432 174.377 174.700 0.182 0.000 1.019 152 T CA -0.707 61.374 62.100 -0.032 0.000 1.013 152 T CB 1.621 70.476 68.868 -0.022 0.000 1.117 152 T HN 0.509 nan 8.240 nan 0.000 0.533 153 I N 1.140 121.819 120.570 0.182 0.000 2.499 153 I HA 0.386 4.556 4.170 0.000 0.000 0.288 153 I C -0.553 175.641 176.117 0.128 0.000 1.048 153 I CA -0.694 60.738 61.300 0.221 0.000 1.062 153 I CB 2.256 40.421 38.000 0.276 0.000 1.238 153 I HN 0.687 nan 8.210 nan 0.000 0.426 154 Q N 6.944 126.820 119.800 0.126 0.000 2.394 154 Q HA 0.429 4.769 4.340 0.000 0.000 0.261 154 Q C -1.531 174.531 176.000 0.103 0.000 1.023 154 Q CA -0.632 55.223 55.803 0.087 0.000 0.720 154 Q CB 1.349 30.135 28.738 0.079 0.000 1.241 154 Q HN 0.506 nan 8.270 nan 0.000 0.483 155 I N 3.767 124.384 120.570 0.079 0.000 2.306 155 I HA 0.244 4.414 4.170 0.000 0.000 0.288 155 I C 0.238 176.385 176.117 0.049 0.000 1.036 155 I CA -0.507 60.847 61.300 0.089 0.000 1.221 155 I CB 0.451 38.502 38.000 0.085 0.000 1.385 155 I HN 0.589 nan 8.210 nan 0.000 0.472 156 N N 4.301 123.049 118.700 0.080 0.000 2.381 156 N HA 0.477 5.217 4.740 0.000 0.000 0.241 156 N C 0.545 175.847 175.510 -0.347 0.000 1.279 156 N CA 0.394 53.464 53.050 0.033 0.000 0.896 156 N CB 1.613 40.247 38.487 0.246 0.000 1.118 156 N HN 0.878 nan 8.380 nan 0.000 0.438 157 G N 0.028 108.399 108.800 -0.715 0.000 2.325 157 G HA2 0.276 4.237 3.960 0.000 0.000 0.295 157 G HA3 0.276 4.237 3.960 0.000 0.000 0.295 157 G C -3.177 171.135 174.900 -0.981 0.000 1.274 157 G CA -0.622 43.416 45.100 -1.770 0.000 0.857 157 G HN 0.302 nan 8.290 nan 0.000 0.499 158 P HA 0.554 nan 4.420 nan 0.000 0.275 158 P C -0.239 176.984 177.300 -0.129 0.000 1.270 158 P CA 0.415 63.346 63.100 -0.282 0.000 0.791 158 P CB 1.023 32.570 31.700 -0.254 0.000 1.089 159 A N -0.601 122.250 122.820 0.052 0.000 2.609 159 A HA 0.503 4.823 4.320 0.000 0.000 0.291 159 A C 0.617 178.278 177.584 0.130 0.000 1.096 159 A CA 0.007 52.134 52.037 0.150 0.000 0.684 159 A CB 0.453 19.636 19.000 0.305 0.000 1.282 159 A HN 0.425 nan 8.150 nan 0.000 0.412 160 S N -0.492 115.290 115.700 0.136 0.000 2.558 160 S HA 0.423 4.893 4.470 0.000 0.000 0.217 160 S C 0.190 174.852 174.600 0.104 0.000 0.975 160 S CA 0.326 58.593 58.200 0.110 0.000 0.912 160 S CB -0.477 62.782 63.200 0.100 0.000 0.776 160 S HN 0.538 nan 8.310 nan 0.000 0.526 161 L N 2.099 123.403 121.223 0.134 0.000 2.493 161 L HA 0.496 4.837 4.340 0.000 0.000 0.265 161 L C -2.782 174.170 176.870 0.137 0.000 0.954 161 L CA -2.325 52.590 54.840 0.125 0.000 0.844 161 L CB 2.875 45.013 42.059 0.132 0.000 1.302 161 L HN -0.070 nan 8.230 nan 0.000 0.405 162 P HA 0.188 nan 4.420 nan 0.000 0.271 162 P C -1.802 175.511 177.300 0.021 0.000 1.218 162 P CA 0.095 63.157 63.100 -0.065 0.000 0.780 162 P CB 0.633 32.302 31.700 -0.051 0.000 0.901 163 Y N -1.409 118.896 120.300 0.007 0.000 2.544 163 Y HA 0.418 4.968 4.550 0.001 0.000 0.342 163 Y C 0.466 176.344 175.900 -0.038 0.000 1.062 163 Y CA -1.041 57.051 58.100 -0.013 0.000 1.023 163 Y CB 0.235 38.694 38.460 -0.001 0.000 1.308 163 Y HN 0.147 nan 8.280 nan 0.000 0.457 164 D N 1.774 122.234 120.400 0.100 0.000 2.149 164 D HA 0.116 4.756 4.640 0.000 0.000 0.206 164 D C 0.185 176.514 176.300 0.049 0.000 0.967 164 D CA 1.587 55.587 54.000 0.000 0.000 0.848 164 D CB 0.761 41.509 40.800 -0.088 0.000 0.998 164 D HN 0.488 nan 8.370 nan 0.000 0.474 165 I N 0.764 121.348 120.570 0.023 0.000 2.569 165 I HA 0.155 4.325 4.170 0.000 0.000 0.296 165 I C -0.606 175.553 176.117 0.069 0.000 1.028 165 I CA -0.845 60.466 61.300 0.018 0.000 1.082 165 I CB 2.604 40.526 38.000 -0.130 0.000 1.264 165 I HN -0.284 nan 8.210 nan 0.000 0.429 166 D N 5.947 126.392 120.400 0.075 0.000 2.454 166 D HA 0.303 4.943 4.640 0.000 0.000 0.225 166 D C 0.609 176.898 176.300 -0.018 0.000 1.081 166 D CA -0.255 53.738 54.000 -0.011 0.000 0.864 166 D CB 1.351 42.195 40.800 0.073 0.000 1.040 166 D HN 0.445 nan 8.370 nan 0.000 0.517 167 L N 2.858 124.048 121.223 -0.054 0.000 2.291 167 L HA 0.159 4.499 4.340 0.000 0.000 0.214 167 L C 1.587 178.420 176.870 -0.062 0.000 1.120 167 L CA 0.733 55.531 54.840 -0.070 0.000 0.799 167 L CB -0.588 41.385 42.059 -0.143 0.000 0.925 167 L HN 0.681 nan 8.230 nan 0.000 0.446 168 G N -0.355 108.416 108.800 -0.050 0.000 2.548 168 G HA2 -0.196 3.764 3.960 0.000 0.000 0.208 168 G HA3 -0.196 3.764 3.960 0.000 0.000 0.208 168 G C -0.386 174.511 174.900 -0.005 0.000 1.308 168 G CA -0.459 44.632 45.100 -0.014 0.000 0.924 168 G HN 0.177 nan 8.290 nan 0.000 0.540 169 V N -2.372 117.558 119.914 0.026 0.000 2.686 169 V HA 0.708 4.828 4.120 0.000 0.000 0.295 169 V C 0.380 176.554 176.094 0.135 0.000 1.055 169 V CA 0.046 62.372 62.300 0.042 0.000 1.050 169 V CB 1.398 33.230 31.823 0.016 0.000 0.984 169 V HN 1.293 nan 8.190 nan 0.000 0.482 170 F N 5.779 125.657 119.950 -0.120 0.000 2.622 170 F HA 0.470 4.997 4.527 0.000 0.000 0.338 170 F C -2.311 173.396 175.800 -0.155 0.000 1.334 170 F CA -2.447 55.465 58.000 -0.146 0.000 1.179 170 F CB 1.834 40.737 39.000 -0.161 0.000 1.471 170 F HN 0.487 nan 8.300 nan 0.000 0.576 171 P HA 0.148 nan 4.420 nan 0.000 0.271 171 P C -0.548 176.553 177.300 -0.333 0.000 1.233 171 P CA 0.374 63.313 63.100 -0.268 0.000 0.764 171 P CB 1.344 32.908 31.700 -0.227 0.000 0.825 172 I N 2.944 123.348 120.570 -0.278 0.000 2.362 172 I HA 0.384 4.554 4.170 0.000 0.000 0.289 172 I C 0.676 176.767 176.117 -0.043 0.000 0.994 172 I CA -0.281 60.880 61.300 -0.232 0.000 1.158 172 I CB 2.014 39.883 38.000 -0.218 0.000 1.315 172 I HN 0.276 nan 8.210 nan 0.000 0.451 173 T N 3.730 118.278 114.554 -0.009 0.000 2.900 173 T HA 0.331 4.681 4.350 0.000 0.000 0.303 173 T C -1.156 173.671 174.700 0.212 0.000 1.142 173 T CA -0.753 61.420 62.100 0.121 0.000 1.007 173 T CB 1.364 70.244 68.868 0.021 0.000 1.156 173 T HN 0.670 nan 8.240 nan 0.000 0.490 174 D N 1.600 122.163 120.400 0.271 0.000 2.358 174 D HA 0.283 4.923 4.640 0.000 0.000 0.244 174 D C -0.957 175.421 176.300 0.130 0.000 1.163 174 D CA -0.093 54.023 54.000 0.194 0.000 0.945 174 D CB 0.335 41.203 40.800 0.114 0.000 1.152 174 D HN 0.429 nan 8.370 nan 0.000 0.451 175 Y N 0.248 120.394 120.300 -0.256 0.000 2.361 175 Y HA 0.384 4.934 4.550 0.000 0.000 0.328 175 Y C -1.922 173.723 175.900 -0.426 0.000 1.044 175 Y CA -1.232 56.763 58.100 -0.174 0.000 1.085 175 Y CB 0.967 39.396 38.460 -0.053 0.000 1.194 175 Y HN 0.328 nan 8.280 nan 0.000 0.438 176 Y N 4.875 124.997 120.300 -0.297 0.000 2.468 176 Y HA 0.318 4.868 4.550 -0.000 0.000 0.342 176 Y C 0.369 176.032 175.900 -0.396 0.000 1.021 176 Y CA -0.637 57.256 58.100 -0.345 0.000 1.079 176 Y CB 1.284 39.705 38.460 -0.065 0.000 1.226 176 Y HN 0.695 nan 8.280 nan 0.000 0.460 177 Y N 0.052 120.276 120.300 -0.126 0.000 2.314 177 Y HA 0.078 4.628 4.550 0.000 0.000 0.294 177 Y C 1.050 176.934 175.900 -0.026 0.000 1.119 177 Y CA -0.084 57.938 58.100 -0.130 0.000 1.179 177 Y CB 0.243 38.655 38.460 -0.081 0.000 1.025 177 Y HN 0.345 nan 8.280 nan 0.000 0.541 178 R N 1.126 121.716 120.500 0.151 0.000 2.738 178 R HA 0.307 4.647 4.340 0.000 0.000 0.268 178 R C -0.009 176.336 176.300 0.074 0.000 1.062 178 R CA -0.155 55.988 56.100 0.072 0.000 1.158 178 R CB 0.366 30.658 30.300 -0.014 0.000 1.046 178 R HN 0.061 nan 8.270 nan 0.000 0.493 179 A N 1.229 124.081 122.820 0.053 0.000 2.322 179 A HA 0.430 4.750 4.320 0.000 0.000 0.269 179 A C 1.158 178.775 177.584 0.055 0.000 1.094 179 A CA 0.178 52.255 52.037 0.067 0.000 0.807 179 A CB 0.772 19.807 19.000 0.059 0.000 1.047 179 A HN 0.881 nan 8.150 nan 0.000 0.487 180 A N 0.669 123.545 122.820 0.094 0.000 1.892 180 A HA -0.201 4.119 4.320 0.000 0.000 0.218 180 A C 1.585 179.229 177.584 0.099 0.000 1.188 180 A CA 2.148 54.265 52.037 0.134 0.000 0.631 180 A CB -0.738 18.353 19.000 0.153 0.000 0.822 180 A HN 0.852 nan 8.150 nan 0.000 0.447 181 D N -0.692 119.764 120.400 0.092 0.000 2.178 181 D HA -0.161 4.479 4.640 0.000 0.000 0.201 181 D C 1.521 177.850 176.300 0.048 0.000 0.980 181 D CA 1.671 55.719 54.000 0.081 0.000 0.842 181 D CB -0.236 40.602 40.800 0.063 0.000 0.948 181 D HN 0.543 nan 8.370 nan 0.000 0.472 182 D N 0.691 121.101 120.400 0.017 0.000 2.123 182 D HA -0.078 4.562 4.640 0.000 0.000 0.200 182 D C 2.340 178.641 176.300 0.001 0.000 0.976 182 D CA 0.544 54.552 54.000 0.013 0.000 0.831 182 D CB -0.161 40.630 40.800 -0.015 0.000 0.974 182 D HN 0.146 nan 8.370 nan 0.000 0.469 183 L N -0.317 120.832 121.223 -0.124 0.000 2.093 183 L HA -0.093 4.247 4.340 0.000 0.000 0.208 183 L C 2.589 179.182 176.870 -0.461 0.000 1.085 183 L CA 0.404 55.020 54.840 -0.373 0.000 0.755 183 L CB -0.231 41.425 42.059 -0.672 0.000 0.904 183 L HN -0.002 nan 8.230 nan 0.000 0.435 184 V N -0.556 119.219 119.914 -0.233 0.000 2.407 184 V HA -0.320 3.800 4.120 0.000 0.000 0.248 184 V C 2.444 178.531 176.094 -0.012 0.000 1.055 184 V CA 2.093 64.349 62.300 -0.073 0.000 1.049 184 V CB -0.659 31.233 31.823 0.115 0.000 0.662 184 V HN 0.531 nan 8.190 nan 0.000 0.455 185 H N -0.693 118.357 119.070 -0.034 0.000 2.357 185 H HA -0.184 4.372 4.556 0.001 0.000 0.301 185 H C 1.928 177.260 175.328 0.007 0.000 1.082 185 H CA 2.024 58.071 56.048 -0.001 0.000 1.342 185 H CB -0.247 29.522 29.762 0.011 0.000 1.389 185 H HN 0.373 nan 8.280 nan 0.000 0.511 186 F N 1.284 121.118 119.950 -0.193 0.000 2.146 186 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 186 F C 2.428 178.098 175.800 -0.217 0.000 1.096 186 F CA 1.970 59.838 58.000 -0.219 0.000 1.275 186 F CB -0.841 38.055 39.000 -0.173 0.000 1.008 186 F HN 0.308 nan 8.300 nan 0.000 0.480 187 T N -2.031 112.355 114.554 -0.280 0.000 3.113 187 T HA -0.098 4.252 4.350 0.000 0.000 0.263 187 T C 1.537 176.223 174.700 -0.023 0.000 1.143 187 T CA 0.863 62.823 62.100 -0.232 0.000 1.090 187 T CB -0.429 68.262 68.868 -0.296 0.000 0.922 187 T HN 0.477 nan 8.240 nan 0.000 0.521 188 Q N 0.866 120.589 119.800 -0.129 0.000 2.378 188 Q HA 0.131 4.471 4.340 0.000 0.000 0.205 188 Q C 0.815 176.670 176.000 -0.243 0.000 0.954 188 Q CA 0.820 56.575 55.803 -0.080 0.000 0.901 188 Q CB 0.022 28.687 28.738 -0.122 0.000 0.981 188 Q HN 0.688 nan 8.270 nan 0.000 0.483 189 N N -0.294 118.175 118.700 -0.385 0.000 2.167 189 N HA 0.127 4.867 4.740 0.000 0.000 0.234 189 N C -1.124 174.055 175.510 -0.551 0.000 1.312 189 N CA -0.114 52.613 53.050 -0.539 0.000 0.861 189 N CB 0.827 39.061 38.487 -0.422 0.000 1.217 189 N HN -0.021 nan 8.380 nan 0.000 0.504 190 N N 0.351 118.784 118.700 -0.446 0.000 2.396 190 N HA 0.363 5.103 4.740 0.000 0.000 0.275 190 N C -1.193 174.293 175.510 -0.041 0.000 1.218 190 N CA -0.544 52.252 53.050 -0.424 0.000 0.812 190 N CB 1.711 39.426 38.487 -1.286 0.000 1.592 190 N HN -0.028 nan 8.380 nan 0.000 0.480 191 A N 1.746 124.629 122.820 0.105 0.000 2.462 191 A HA 0.356 4.676 4.320 0.000 0.000 0.243 191 A C -1.925 175.750 177.584 0.152 0.000 1.076 191 A CA -0.692 51.441 52.037 0.160 0.000 0.773 191 A CB -0.525 18.573 19.000 0.163 0.000 1.010 191 A HN 0.400 nan 8.150 nan 0.000 0.493 192 P HA 0.173 nan 4.420 nan 0.000 0.266 192 P C -2.431 175.082 177.300 0.354 0.000 1.195 192 P CA -0.496 62.764 63.100 0.268 0.000 0.768 192 P CB 0.045 31.980 31.700 0.391 0.000 0.838 193 P HA 0.323 nan 4.420 nan 0.000 0.284 193 P C -0.504 177.117 177.300 0.535 0.000 1.292 193 P CA -0.496 62.832 63.100 0.381 0.000 0.800 193 P CB 0.628 32.481 31.700 0.255 0.000 1.188 194 F N 0.210 120.249 119.950 0.148 0.000 2.389 194 F HA 0.146 4.673 4.527 0.001 0.000 0.337 194 F C 1.526 177.370 175.800 0.074 0.000 1.112 194 F CA -0.624 57.414 58.000 0.064 0.000 1.192 194 F CB 0.262 39.233 39.000 -0.048 0.000 1.185 194 F HN 0.238 nan 8.300 nan 0.000 0.552 195 S N 1.473 117.180 115.700 0.010 0.000 2.579 195 S HA 0.060 4.530 4.470 0.000 0.000 0.275 195 S C 0.689 175.094 174.600 -0.324 0.000 1.345 195 S CA -0.709 57.165 58.200 -0.543 0.000 1.031 195 S CB 0.763 63.606 63.200 -0.595 0.000 0.892 195 S HN 0.574 nan 8.310 nan 0.000 0.529 196 D N 0.911 121.007 120.400 -0.507 0.000 2.269 196 D HA 0.059 4.699 4.640 0.000 0.000 0.208 196 D C 0.517 176.652 176.300 -0.274 0.000 0.963 196 D CA 1.045 54.758 54.000 -0.477 0.000 0.864 196 D CB -0.131 39.962 40.800 -1.179 0.000 0.936 196 D HN 0.540 nan 8.370 nan 0.000 0.505 197 N N -1.261 117.323 118.700 -0.194 0.000 3.261 197 N HA 0.151 4.892 4.740 0.000 0.000 0.248 197 N C -2.027 173.500 175.510 0.028 0.000 1.498 197 N CA -0.462 52.586 53.050 -0.003 0.000 0.884 197 N CB 1.737 40.310 38.487 0.143 0.000 1.428 197 N HN -0.346 nan 8.380 nan 0.000 0.517 198 V N 1.986 121.912 119.914 0.019 0.000 2.482 198 V HA 0.486 4.606 4.120 0.000 0.000 0.295 198 V C -0.269 175.765 176.094 -0.099 0.000 1.026 198 V CA -0.639 61.643 62.300 -0.030 0.000 0.856 198 V CB 1.436 33.173 31.823 -0.142 0.000 1.001 198 V HN 0.443 nan 8.190 nan 0.000 0.424 199 L N 5.733 126.887 121.223 -0.115 0.000 2.312 199 L HA 0.605 4.946 4.340 0.000 0.000 0.281 199 L C -0.504 176.227 176.870 -0.231 0.000 1.070 199 L CA -0.379 54.353 54.840 -0.181 0.000 0.805 199 L CB 1.426 43.350 42.059 -0.225 0.000 1.174 199 L HN 0.462 nan 8.230 nan 0.000 0.434 200 I N 3.384 123.800 120.570 -0.257 0.000 2.382 200 I HA 0.206 4.376 4.170 0.000 0.000 0.286 200 I C 0.049 175.899 176.117 -0.444 0.000 1.002 200 I CA -0.458 60.588 61.300 -0.423 0.000 1.135 200 I CB 1.299 39.077 38.000 -0.371 0.000 1.288 200 I HN 0.705 nan 8.210 nan 0.000 0.448 201 N N 5.349 123.739 118.700 -0.517 0.000 2.714 201 N HA -0.199 4.541 4.740 0.000 0.000 0.253 201 N C 0.833 176.231 175.510 -0.187 0.000 1.024 201 N CA 1.261 54.109 53.050 -0.336 0.000 0.726 201 N CB -0.710 37.603 38.487 -0.290 0.000 0.908 201 N HN 1.108 nan 8.380 nan 0.000 0.542 202 G N -1.975 106.721 108.800 -0.174 0.000 2.184 202 G HA2 -0.279 3.681 3.960 0.000 0.000 0.264 202 G HA3 -0.279 3.681 3.960 0.000 0.000 0.264 202 G C 0.327 175.150 174.900 -0.128 0.000 0.975 202 G CA 1.300 46.328 45.100 -0.120 0.000 0.642 202 G HN 1.116 nan 8.290 nan 0.000 0.536 203 T N -1.268 113.198 114.554 -0.147 0.000 2.841 203 T HA 0.950 5.300 4.350 0.000 0.000 0.296 203 T C -0.566 174.052 174.700 -0.137 0.000 1.166 203 T CA 0.873 62.893 62.100 -0.134 0.000 1.007 203 T CB 1.605 70.421 68.868 -0.088 0.000 1.253 203 T HN 2.011 nan 8.240 nan 0.000 0.511 204 A N 0.977 123.715 122.820 -0.137 0.000 2.544 204 A HA 0.638 4.958 4.320 0.000 0.000 0.291 204 A C -1.781 175.693 177.584 -0.184 0.000 1.055 204 A CA -0.560 51.392 52.037 -0.141 0.000 0.651 204 A CB 0.740 19.674 19.000 -0.110 0.000 1.296 204 A HN 0.821 nan 8.150 nan 0.000 0.431 205 V N 2.187 121.943 119.914 -0.264 0.000 2.427 205 V HA 0.357 4.477 4.120 0.000 0.000 0.286 205 V C 0.384 176.411 176.094 -0.112 0.000 1.034 205 V CA -0.916 61.219 62.300 -0.275 0.000 0.893 205 V CB 1.665 33.156 31.823 -0.553 0.000 0.982 205 V HN 0.811 nan 8.190 nan 0.000 0.452 206 N N 7.066 125.737 118.700 -0.049 0.000 2.452 206 N HA 0.123 4.863 4.740 0.000 0.000 0.266 206 N C -1.490 174.030 175.510 0.017 0.000 1.175 206 N CA -1.296 51.769 53.050 0.024 0.000 0.945 206 N CB 1.786 40.297 38.487 0.040 0.000 1.063 206 N HN 0.396 nan 8.380 nan 0.000 0.472 207 P HA -0.010 nan 4.420 nan 0.000 0.239 207 P C -0.175 177.152 177.300 0.045 0.000 1.184 207 P CA 0.944 64.069 63.100 0.041 0.000 0.760 207 P CB 0.361 32.086 31.700 0.042 0.000 0.884 208 N N -0.906 117.821 118.700 0.046 0.000 2.503 208 N HA -0.008 4.733 4.740 0.000 0.000 0.210 208 N C 1.503 177.031 175.510 0.030 0.000 1.077 208 N CA 0.783 53.858 53.050 0.042 0.000 0.855 208 N CB 0.186 38.704 38.487 0.051 0.000 1.323 208 N HN 0.108 nan 8.380 nan 0.000 0.452 209 T N -2.996 111.572 114.554 0.024 0.000 2.990 209 T HA 0.305 4.656 4.350 0.000 0.000 0.250 209 T C 1.506 176.210 174.700 0.007 0.000 1.041 209 T CA 0.618 62.725 62.100 0.012 0.000 1.010 209 T CB 0.663 69.532 68.868 0.001 0.000 1.003 209 T HN 0.223 nan 8.240 nan 0.000 0.499 210 G N 1.140 109.944 108.800 0.006 0.000 2.162 210 G HA2 -0.250 3.711 3.960 0.000 0.000 0.260 210 G HA3 -0.250 3.711 3.960 0.000 0.000 0.260 210 G C -0.141 174.746 174.900 -0.023 0.000 0.976 210 G CA 0.305 45.405 45.100 0.000 0.000 0.655 210 G HN 0.683 nan 8.290 nan 0.000 0.533 211 E N -0.212 119.972 120.200 -0.028 0.000 2.371 211 E HA 0.505 4.855 4.350 0.000 0.000 0.257 211 E C 1.098 177.657 176.600 -0.068 0.000 1.134 211 E CA 0.762 57.137 56.400 -0.042 0.000 0.919 211 E CB 0.650 30.327 29.700 -0.038 0.000 1.025 211 E HN 1.514 nan 8.360 nan 0.000 0.438 212 G N 0.821 109.576 108.800 -0.075 0.000 2.660 212 G HA2 -0.203 3.757 3.960 0.000 0.000 0.215 212 G HA3 -0.203 3.757 3.960 0.000 0.000 0.215 212 G C -0.975 173.855 174.900 -0.115 0.000 1.345 212 G CA -0.603 44.438 45.100 -0.098 0.000 0.877 212 G HN 0.461 nan 8.290 nan 0.000 0.549 213 Q N -1.488 118.229 119.800 -0.137 0.000 2.482 213 Q HA 0.470 4.811 4.340 0.000 0.000 0.286 213 Q C -1.420 174.505 176.000 -0.125 0.000 1.007 213 Q CA -0.854 54.876 55.803 -0.121 0.000 0.801 213 Q CB 2.010 30.734 28.738 -0.024 0.000 1.455 213 Q HN 0.570 nan 8.270 nan 0.000 0.398 214 Y N 0.409 120.750 120.300 0.067 0.000 2.336 214 Y HA 0.377 4.927 4.550 -0.000 0.000 0.331 214 Y C 0.767 176.703 175.900 0.060 0.000 1.211 214 Y CA -0.315 57.846 58.100 0.102 0.000 1.346 214 Y CB 0.745 39.328 38.460 0.204 0.000 1.271 214 Y HN 0.644 nan 8.280 nan 0.000 0.538 215 A N 2.740 125.692 122.820 0.220 0.000 2.498 215 A HA 0.117 4.437 4.320 0.000 0.000 0.239 215 A C 0.013 177.681 177.584 0.139 0.000 1.068 215 A CA -0.319 51.788 52.037 0.117 0.000 0.766 215 A CB -0.068 18.969 19.000 0.061 0.000 1.003 215 A HN 0.736 nan 8.150 nan 0.000 0.497 216 N N 2.334 121.063 118.700 0.049 0.000 2.626 216 N HA 0.365 5.106 4.740 0.000 0.000 0.249 216 N C -1.475 173.957 175.510 -0.130 0.000 1.021 216 N CA -0.239 52.801 53.050 -0.016 0.000 0.886 216 N CB 1.255 39.730 38.487 -0.021 0.000 1.149 216 N HN 0.254 nan 8.380 nan 0.000 0.517 217 V N 2.632 122.355 119.914 -0.319 0.000 2.407 217 V HA 0.389 4.509 4.120 0.000 0.000 0.278 217 V C 0.466 176.288 176.094 -0.454 0.000 1.037 217 V CA -0.349 61.601 62.300 -0.583 0.000 0.900 217 V CB 1.378 32.355 31.823 -1.409 0.000 0.983 217 V HN 0.505 nan 8.190 nan 0.000 0.459 218 T N 6.977 121.362 114.554 -0.280 0.000 2.749 218 T HA 0.577 4.928 4.350 0.000 0.000 0.287 218 T C -0.222 174.353 174.700 -0.209 0.000 0.970 218 T CA -0.241 61.781 62.100 -0.130 0.000 0.980 218 T CB 0.567 69.439 68.868 0.006 0.000 0.924 218 T HN 0.340 nan 8.240 nan 0.000 0.456 219 L N 2.913 123.964 121.223 -0.286 0.000 2.325 219 L HA 0.425 4.766 4.340 0.000 0.000 0.279 219 L C 0.632 177.377 176.870 -0.210 0.000 1.054 219 L CA -0.794 53.778 54.840 -0.447 0.000 0.804 219 L CB 1.178 42.761 42.059 -0.793 0.000 1.200 219 L HN 0.531 nan 8.230 nan 0.000 0.436 220 T N 3.573 118.242 114.554 0.191 0.000 2.727 220 T HA 0.225 4.575 4.350 0.000 0.000 0.298 220 T C -2.373 172.352 174.700 0.041 0.000 0.942 220 T CA -1.150 61.007 62.100 0.096 0.000 0.997 220 T CB 0.757 69.673 68.868 0.079 0.000 0.917 220 T HN 0.297 nan 8.240 nan 0.000 0.487 221 P HA 0.034 nan 4.420 nan 0.000 0.257 221 P C 1.112 178.462 177.300 0.083 0.000 1.153 221 P CA 1.247 64.389 63.100 0.070 0.000 0.762 221 P CB 0.027 31.805 31.700 0.129 0.000 0.743 222 G N 1.831 110.700 108.800 0.115 0.000 2.205 222 G HA2 -0.231 3.729 3.960 0.000 0.000 0.261 222 G HA3 -0.231 3.729 3.960 0.000 0.000 0.261 222 G C 0.216 175.151 174.900 0.058 0.000 0.980 222 G CA 0.002 45.155 45.100 0.088 0.000 0.632 222 G HN 0.492 nan 8.290 nan 0.000 0.533 223 K N 0.217 120.643 120.400 0.043 0.000 2.168 223 K HA 0.614 4.934 4.320 0.000 0.000 0.239 223 K C 0.483 177.043 176.600 -0.066 0.000 0.999 223 K CA -0.763 55.484 56.287 -0.068 0.000 0.900 223 K CB 0.958 33.327 32.500 -0.219 0.000 1.111 223 K HN 0.333 nan 8.250 nan 0.000 0.452 224 R N 1.501 121.935 120.500 -0.110 0.000 2.312 224 R HA 0.318 4.658 4.340 0.000 0.000 0.311 224 R C -0.556 175.674 176.300 -0.116 0.000 1.004 224 R CA -0.682 55.431 56.100 0.022 0.000 0.902 224 R CB 0.605 30.954 30.300 0.082 0.000 1.073 224 R HN 0.535 nan 8.270 nan 0.000 0.457 225 H N 0.747 119.821 119.070 0.006 0.000 2.524 225 H HA 0.329 4.886 4.556 0.000 0.000 0.353 225 H C -0.472 174.780 175.328 -0.127 0.000 1.136 225 H CA -0.943 55.077 56.048 -0.046 0.000 1.193 225 H CB 1.452 31.168 29.762 -0.076 0.000 1.558 225 H HN 0.300 nan 8.280 nan 0.000 0.515 226 R N 2.485 122.890 120.500 -0.157 0.000 2.229 226 R HA 0.408 4.748 4.340 0.000 0.000 0.328 226 R C -1.372 174.813 176.300 -0.192 0.000 1.009 226 R CA -0.908 54.989 56.100 -0.339 0.000 0.864 226 R CB 0.349 30.144 30.300 -0.841 0.000 1.085 226 R HN 0.472 nan 8.270 nan 0.000 0.453 227 L N 5.067 126.206 121.223 -0.139 0.000 2.325 227 L HA 0.445 4.785 4.340 0.000 0.000 0.281 227 L C -0.721 176.103 176.870 -0.077 0.000 1.004 227 L CA -0.384 54.377 54.840 -0.132 0.000 0.823 227 L CB 1.402 43.378 42.059 -0.138 0.000 1.236 227 L HN 0.610 nan 8.230 nan 0.000 0.415 228 R N 6.527 126.992 120.500 -0.057 0.000 2.287 228 R HA 0.489 4.829 4.340 0.000 0.000 0.327 228 R C -0.833 175.491 176.300 0.040 0.000 1.109 228 R CA -0.237 55.853 56.100 -0.018 0.000 1.013 228 R CB 0.243 30.524 30.300 -0.031 0.000 1.126 228 R HN 0.576 nan 8.270 nan 0.000 0.503 229 I N 4.615 125.224 120.570 0.065 0.000 2.365 229 I HA 0.277 4.447 4.170 0.000 0.000 0.291 229 I C -0.441 175.649 176.117 -0.046 0.000 1.004 229 I CA -0.772 60.589 61.300 0.101 0.000 1.311 229 I CB 0.857 38.973 38.000 0.194 0.000 1.401 229 I HN 0.233 nan 8.210 nan 0.000 0.491 230 L N 5.503 126.642 121.223 -0.139 0.000 2.350 230 L HA 0.500 4.840 4.340 0.000 0.000 0.260 230 L C -0.333 176.311 176.870 -0.377 0.000 1.015 230 L CA -0.601 54.032 54.840 -0.346 0.000 0.821 230 L CB 1.362 43.128 42.059 -0.489 0.000 1.370 230 L HN 0.446 nan 8.230 nan 0.000 0.416 231 N N -0.091 118.281 118.700 -0.548 0.000 2.564 231 N HA 0.275 5.015 4.740 0.000 0.000 0.248 231 N C -0.138 174.878 175.510 -0.823 0.000 0.986 231 N CA -0.294 52.466 53.050 -0.483 0.000 0.921 231 N CB 1.143 39.352 38.487 -0.464 0.000 1.136 231 N HN 0.721 nan 8.380 nan 0.000 0.509 232 T N -0.640 113.473 114.554 -0.735 0.000 3.251 232 T HA 0.275 4.625 4.350 0.000 0.000 0.259 232 T C 0.410 174.938 174.700 -0.287 0.000 0.998 232 T CA -0.450 61.084 62.100 -0.943 0.000 0.905 232 T CB -0.391 68.046 68.868 -0.719 0.000 1.067 232 T HN 0.179 nan 8.240 nan 0.000 0.569 233 S N 1.921 117.468 115.700 -0.254 0.000 2.606 233 S HA 0.274 4.744 4.470 0.000 0.000 0.257 233 S C 1.706 176.305 174.600 -0.002 0.000 1.327 233 S CA -0.053 58.094 58.200 -0.090 0.000 0.984 233 S CB 0.824 63.867 63.200 -0.261 0.000 0.941 233 S HN 0.714 nan 8.310 nan 0.000 0.576 234 T N -2.065 112.428 114.554 -0.102 0.000 3.023 234 T HA 0.240 4.590 4.350 0.000 0.000 0.249 234 T C 1.023 175.416 174.700 -0.512 0.000 1.050 234 T CA 0.104 61.970 62.100 -0.391 0.000 1.088 234 T CB 0.131 68.552 68.868 -0.745 0.000 0.946 234 T HN 0.562 nan 8.240 nan 0.000 0.480 235 E N 0.779 120.800 120.200 -0.299 0.000 2.820 235 E HA 0.127 4.477 4.350 0.000 0.000 0.210 235 E C -0.606 175.960 176.600 -0.057 0.000 1.005 235 E CA -0.043 56.224 56.400 -0.222 0.000 1.678 235 E CB -0.044 29.567 29.700 -0.149 0.000 2.013 235 E HN 0.193 nan 8.360 nan 0.000 1.011 236 N N 1.875 120.526 118.700 -0.083 0.000 2.411 236 N HA 0.029 4.769 4.740 0.000 0.000 0.261 236 N C -0.955 174.156 175.510 -0.666 0.000 1.248 236 N CA 0.529 53.462 53.050 -0.195 0.000 0.885 236 N CB 0.068 38.466 38.487 -0.149 0.000 1.062 236 N HN 0.157 nan 8.380 nan 0.000 0.471 237 H N 2.112 120.901 119.070 -0.469 0.000 2.488 237 H HA 0.385 4.942 4.556 0.001 0.000 0.322 237 H C -0.260 174.726 175.328 -0.570 0.000 1.078 237 H CA -0.287 55.437 56.048 -0.540 0.000 1.260 237 H CB 0.402 30.116 29.762 -0.081 0.000 1.425 237 H HN 0.412 nan 8.280 nan 0.000 0.471 238 F N 0.952 120.634 119.950 -0.446 0.000 2.509 238 F HA 0.473 4.999 4.527 -0.000 0.000 0.334 238 F C 0.238 175.776 175.800 -0.438 0.000 1.060 238 F CA -0.934 56.760 58.000 -0.509 0.000 0.997 238 F CB 1.380 40.107 39.000 -0.455 0.000 1.271 238 F HN 0.255 nan 8.300 nan 0.000 0.488 239 Q N 1.502 121.242 119.800 -0.100 0.000 2.304 239 Q HA 0.572 4.912 4.340 0.000 0.000 0.270 239 Q C -1.424 174.461 176.000 -0.191 0.000 1.035 239 Q CA -0.905 54.833 55.803 -0.108 0.000 0.781 239 Q CB 3.138 31.890 28.738 0.023 0.000 1.261 239 Q HN 0.547 nan 8.270 nan 0.000 0.444 240 V N -0.854 118.927 119.914 -0.221 0.000 2.914 240 V HA 0.998 5.118 4.120 0.000 0.000 0.314 240 V C -0.657 175.199 176.094 -0.398 0.000 1.084 240 V CA -0.591 61.485 62.300 -0.374 0.000 0.963 240 V CB 1.945 33.581 31.823 -0.311 0.000 1.025 240 V HN 0.852 nan 8.190 nan 0.000 0.432 241 S N 3.211 118.546 115.700 -0.608 0.000 2.552 241 S HA 0.735 5.205 4.470 0.000 0.000 0.272 241 S C -1.579 172.710 174.600 -0.518 0.000 1.150 241 S CA -0.722 57.223 58.200 -0.425 0.000 0.849 241 S CB 1.627 64.698 63.200 -0.216 0.000 1.113 241 S HN 1.729 nan 8.310 nan 0.000 0.458 242 L N 2.433 123.460 121.223 -0.327 0.000 2.319 242 L HA 0.632 4.973 4.340 0.000 0.000 0.281 242 L C -0.632 176.196 176.870 -0.071 0.000 1.005 242 L CA -0.703 53.979 54.840 -0.264 0.000 0.828 242 L CB 1.432 43.248 42.059 -0.404 0.000 1.227 242 L HN 0.738 nan 8.230 nan 0.000 0.415 243 V N 6.834 126.776 119.914 0.045 0.000 2.625 243 V HA -0.040 4.080 4.120 0.000 0.000 0.305 243 V C 1.532 177.749 176.094 0.206 0.000 1.055 243 V CA 1.224 63.615 62.300 0.152 0.000 1.209 243 V CB -0.348 31.639 31.823 0.274 0.000 0.877 243 V HN 1.087 nan 8.190 nan 0.000 0.489 244 N N 1.863 120.621 118.700 0.097 0.000 2.828 244 N HA -0.178 4.563 4.740 0.000 0.000 0.248 244 N C -0.222 175.131 175.510 -0.262 0.000 1.044 244 N CA 0.814 53.830 53.050 -0.056 0.000 0.851 244 N CB -0.468 37.968 38.487 -0.085 0.000 1.136 244 N HN 0.917 nan 8.380 nan 0.000 0.572 245 H N -1.124 117.844 119.070 -0.170 0.000 2.946 245 H HA 0.484 5.040 4.556 0.000 0.000 0.365 245 H C -0.016 175.243 175.328 -0.116 0.000 1.197 245 H CA 0.284 56.238 56.048 -0.157 0.000 1.131 245 H CB 1.647 31.292 29.762 -0.195 0.000 1.849 245 H HN 0.158 nan 8.280 nan 0.000 0.555 246 T N -0.890 113.688 114.554 0.041 0.000 2.949 246 T HA 0.761 5.111 4.350 0.000 0.000 0.287 246 T C -0.180 174.518 174.700 -0.003 0.000 1.034 246 T CA -1.018 61.081 62.100 -0.003 0.000 1.018 246 T CB 1.206 70.067 68.868 -0.012 0.000 1.135 246 T HN 0.403 nan 8.240 nan 0.000 0.532 247 M N 1.048 120.632 119.600 -0.026 0.000 2.457 247 M HA 0.412 4.892 4.480 0.000 0.000 0.300 247 M C -1.066 175.217 176.300 -0.029 0.000 1.141 247 M CA -0.666 54.616 55.300 -0.031 0.000 0.901 247 M CB 2.920 35.486 32.600 -0.057 0.000 1.687 247 M HN 0.637 nan 8.290 nan 0.000 0.449 248 T N 2.246 116.793 114.554 -0.011 0.000 2.821 248 T HA 0.395 4.745 4.350 0.000 0.000 0.307 248 T C -0.148 174.551 174.700 -0.001 0.000 1.034 248 T CA -0.487 61.612 62.100 -0.003 0.000 0.953 248 T CB 0.837 69.718 68.868 0.021 0.000 0.968 248 T HN 0.378 nan 8.240 nan 0.000 0.462 249 V N 5.602 125.505 119.914 -0.017 0.000 2.585 249 V HA 0.152 4.272 4.120 0.000 0.000 0.296 249 V C 1.369 177.494 176.094 0.052 0.000 1.035 249 V CA 0.352 62.658 62.300 0.011 0.000 1.084 249 V CB 0.276 32.089 31.823 -0.017 0.000 0.953 249 V HN 0.899 nan 8.190 nan 0.000 0.483 250 I N 1.800 122.410 120.570 0.068 0.000 4.240 250 I HA 0.788 4.958 4.170 0.000 0.000 0.331 250 I C 0.362 176.520 176.117 0.069 0.000 1.381 250 I CA -0.051 61.292 61.300 0.072 0.000 1.136 250 I CB 0.520 38.566 38.000 0.077 0.000 1.137 250 I HN 0.548 nan 8.210 nan 0.000 0.411 251 A N 1.336 124.206 122.820 0.084 0.000 2.590 251 A HA 0.822 5.142 4.320 0.000 0.000 0.296 251 A C -1.506 176.126 177.584 0.080 0.000 1.050 251 A CA -0.095 51.969 52.037 0.045 0.000 0.697 251 A CB 0.910 19.894 19.000 -0.026 0.000 1.277 251 A HN 0.429 nan 8.150 nan 0.000 0.411 252 A N 2.084 124.897 122.820 -0.012 0.000 2.319 252 A HA 0.754 5.074 4.320 0.000 0.000 0.310 252 A C 0.244 177.690 177.584 -0.229 0.000 1.152 252 A CA 0.353 52.290 52.037 -0.167 0.000 0.783 252 A CB 0.175 19.146 19.000 -0.047 0.000 1.184 252 A HN 1.302 nan 8.150 nan 0.000 0.474 253 D N 0.452 120.653 120.400 -0.332 0.000 3.685 253 D HA -0.270 4.370 4.640 0.000 0.000 0.152 253 D C 0.653 176.833 176.300 -0.200 0.000 0.966 253 D CA 2.048 55.906 54.000 -0.237 0.000 1.085 253 D CB -0.558 40.141 40.800 -0.168 0.000 0.521 253 D HN 0.674 nan 8.370 nan 0.000 0.543 254 M N 0.807 120.289 119.600 -0.197 0.000 2.637 254 M HA 0.284 4.764 4.480 0.000 0.000 0.286 254 M C -0.854 175.218 176.300 -0.381 0.000 1.246 254 M CA 0.087 55.215 55.300 -0.286 0.000 0.978 254 M CB 0.443 32.857 32.600 -0.309 0.000 1.417 254 M HN 0.073 nan 8.290 nan 0.000 0.487 255 V N 1.750 121.509 119.914 -0.258 0.000 2.350 255 V HA 0.428 4.548 4.120 0.000 0.000 0.285 255 V C -2.377 173.628 176.094 -0.149 0.000 1.014 255 V CA -1.746 60.426 62.300 -0.213 0.000 0.831 255 V CB 1.148 32.940 31.823 -0.052 0.000 1.000 255 V HN 0.223 nan 8.190 nan 0.000 0.433 256 P HA 0.257 nan 4.420 nan 0.000 0.268 256 P C -0.618 176.701 177.300 0.032 0.000 1.204 256 P CA 0.200 63.270 63.100 -0.050 0.000 0.768 256 P CB 0.904 32.596 31.700 -0.014 0.000 0.842 257 V N 0.312 120.259 119.914 0.055 0.000 3.130 257 V HA 0.562 4.683 4.120 0.000 0.000 0.310 257 V C -0.434 175.704 176.094 0.074 0.000 1.158 257 V CA -1.202 61.141 62.300 0.072 0.000 1.029 257 V CB 2.081 33.952 31.823 0.080 0.000 1.057 257 V HN 0.257 nan 8.190 nan 0.000 0.436 258 N N 1.748 120.490 118.700 0.070 0.000 2.492 258 N HA 0.350 5.090 4.740 0.000 0.000 0.262 258 N C 0.492 176.037 175.510 0.058 0.000 1.202 258 N CA 0.612 53.700 53.050 0.064 0.000 0.926 258 N CB 1.358 39.879 38.487 0.056 0.000 1.078 258 N HN 1.276 nan 8.380 nan 0.000 0.454 259 A N 2.599 125.453 122.820 0.056 0.000 2.616 259 A HA -0.029 4.291 4.320 0.000 0.000 0.234 259 A C 0.485 178.091 177.584 0.036 0.000 1.024 259 A CA 0.660 52.726 52.037 0.048 0.000 0.758 259 A CB -0.186 18.842 19.000 0.047 0.000 0.939 259 A HN 0.784 nan 8.150 nan 0.000 0.510 260 M N 3.753 123.368 119.600 0.025 0.000 2.150 260 M HA 0.209 4.689 4.480 0.000 0.000 0.255 260 M C -0.738 175.557 176.300 -0.008 0.000 0.963 260 M CA -0.140 55.166 55.300 0.011 0.000 1.033 260 M CB 1.230 33.837 32.600 0.012 0.000 2.007 260 M HN 0.680 nan 8.290 nan 0.000 0.462 261 T N 4.218 118.770 114.554 -0.004 0.000 2.870 261 T HA 0.477 4.827 4.350 0.000 0.000 0.300 261 T C 0.009 174.695 174.700 -0.023 0.000 0.989 261 T CA -0.315 61.778 62.100 -0.012 0.000 1.139 261 T CB 0.533 69.398 68.868 -0.004 0.000 0.920 261 T HN 0.588 nan 8.240 nan 0.000 0.537 262 V N 0.552 120.444 119.914 -0.036 0.000 3.156 262 V HA 0.641 4.761 4.120 0.000 0.000 0.310 262 V C -0.358 175.714 176.094 -0.036 0.000 1.234 262 V CA -0.825 61.452 62.300 -0.037 0.000 1.065 262 V CB 2.282 34.070 31.823 -0.058 0.000 1.088 262 V HN 0.553 nan 8.190 nan 0.000 0.451 263 D N 0.502 120.886 120.400 -0.026 0.000 2.423 263 D HA 0.286 4.926 4.640 0.000 0.000 0.212 263 D C 0.683 176.961 176.300 -0.037 0.000 1.060 263 D CA 1.442 55.425 54.000 -0.030 0.000 0.872 263 D CB 0.999 41.786 40.800 -0.022 0.000 1.012 263 D HN 0.958 nan 8.370 nan 0.000 0.503 264 S N -0.812 114.882 115.700 -0.010 0.000 2.587 264 S HA 0.638 5.108 4.470 0.000 0.000 0.269 264 S C -1.348 173.234 174.600 -0.030 0.000 1.154 264 S CA -0.957 57.235 58.200 -0.014 0.000 0.824 264 S CB 1.640 64.892 63.200 0.088 0.000 1.118 264 S HN -0.018 nan 8.310 nan 0.000 0.462 265 L N 1.458 122.581 121.223 -0.166 0.000 2.388 265 L HA 0.666 5.006 4.340 0.000 0.000 0.264 265 L C -1.478 175.183 176.870 -0.348 0.000 0.998 265 L CA -0.770 53.901 54.840 -0.282 0.000 0.817 265 L CB 2.125 43.981 42.059 -0.337 0.000 1.338 265 L HN 0.824 nan 8.230 nan 0.000 0.414 266 F N 3.295 122.943 119.950 -0.503 0.000 2.404 266 F HA 0.591 5.118 4.527 0.000 0.000 0.354 266 F C -1.086 174.702 175.800 -0.020 0.000 1.122 266 F CA -0.484 57.306 58.000 -0.350 0.000 1.080 266 F CB 0.892 39.690 39.000 -0.338 0.000 1.131 266 F HN 0.169 nan 8.300 nan 0.000 0.471 267 L N 6.806 127.581 121.223 -0.747 0.000 2.294 267 L HA 0.635 4.975 4.340 0.000 0.000 0.283 267 L C 0.212 176.520 176.870 -0.936 0.000 1.015 267 L CA -0.385 54.115 54.840 -0.566 0.000 0.831 267 L CB 1.262 43.157 42.059 -0.272 0.000 1.217 267 L HN 0.801 nan 8.230 nan 0.000 0.420 268 A N 3.194 125.605 122.820 -0.682 0.000 2.296 268 A HA 0.519 4.839 4.320 0.000 0.000 0.264 268 A C 0.108 177.282 177.584 -0.683 0.000 1.097 268 A CA -0.485 51.215 52.037 -0.561 0.000 0.811 268 A CB 0.437 19.398 19.000 -0.064 0.000 1.072 268 A HN 0.382 nan 8.150 nan 0.000 0.495 269 V N 1.181 120.566 119.914 -0.882 0.000 2.493 269 V HA 0.376 4.497 4.120 0.000 0.000 0.292 269 V C 1.570 177.339 176.094 -0.542 0.000 1.016 269 V CA 1.972 63.858 62.300 -0.690 0.000 1.097 269 V CB -0.246 31.247 31.823 -0.550 0.000 0.947 269 V HN 1.900 nan 8.190 nan 0.000 0.479 270 G N 3.628 112.015 108.800 -0.688 0.000 2.195 270 G HA2 -0.214 3.746 3.960 0.000 0.000 0.246 270 G HA3 -0.214 3.746 3.960 0.000 0.000 0.246 270 G C 0.212 174.759 174.900 -0.588 0.000 0.984 270 G CA 0.170 44.856 45.100 -0.689 0.000 0.633 270 G HN 0.621 nan 8.290 nan 0.000 0.525 271 Q N -0.263 119.247 119.800 -0.483 0.000 2.317 271 Q HA 0.741 5.081 4.340 0.000 0.000 0.229 271 Q C 0.322 176.035 176.000 -0.478 0.000 0.984 271 Q CA -0.109 55.452 55.803 -0.402 0.000 0.911 271 Q CB 0.726 29.257 28.738 -0.346 0.000 1.217 271 Q HN 0.390 nan 8.270 nan 0.000 0.501 272 R N -0.031 120.185 120.500 -0.474 0.000 2.799 272 R HA 0.565 4.905 4.340 0.000 0.000 0.270 272 R C -1.697 174.302 176.300 -0.501 0.000 1.010 272 R CA -0.635 55.230 56.100 -0.391 0.000 0.916 272 R CB 1.236 31.359 30.300 -0.296 0.000 1.228 272 R HN 0.473 nan 8.270 nan 0.000 0.469 273 Y N -0.203 120.037 120.300 -0.100 0.000 2.362 273 Y HA 0.283 4.834 4.550 0.000 0.000 0.326 273 Y C -1.036 174.830 175.900 -0.057 0.000 1.083 273 Y CA -0.988 57.073 58.100 -0.066 0.000 1.073 273 Y CB 2.064 40.495 38.460 -0.048 0.000 1.211 273 Y HN 0.450 nan 8.280 nan 0.000 0.433 274 D N 3.232 123.701 120.400 0.115 0.000 2.295 274 D HA 0.448 5.088 4.640 0.000 0.000 0.248 274 D C -0.586 175.740 176.300 0.042 0.000 1.154 274 D CA 0.143 54.162 54.000 0.031 0.000 0.857 274 D CB 2.077 42.869 40.800 -0.013 0.000 1.117 274 D HN 0.164 nan 8.370 nan 0.000 0.468 275 V N 2.320 122.236 119.914 0.003 0.000 2.815 275 V HA 0.437 4.557 4.120 0.000 0.000 0.314 275 V C -0.044 176.028 176.094 -0.038 0.000 1.064 275 V CA -0.803 61.492 62.300 -0.007 0.000 0.952 275 V CB 2.573 34.399 31.823 0.004 0.000 1.020 275 V HN 0.235 nan 8.190 nan 0.000 0.439 276 V N 4.796 124.703 119.914 -0.011 0.000 2.407 276 V HA 0.523 4.643 4.120 0.000 0.000 0.291 276 V C -0.454 175.662 176.094 0.037 0.000 1.018 276 V CA -0.307 61.998 62.300 0.008 0.000 0.842 276 V CB 1.515 33.365 31.823 0.044 0.000 0.996 276 V HN 0.621 nan 8.190 nan 0.000 0.426 277 I N 3.845 124.451 120.570 0.060 0.000 2.404 277 I HA 0.463 4.633 4.170 0.000 0.000 0.293 277 I C -0.709 175.500 176.117 0.153 0.000 0.992 277 I CA -0.513 60.825 61.300 0.063 0.000 1.149 277 I CB 1.953 39.941 38.000 -0.020 0.000 1.315 277 I HN 0.494 nan 8.210 nan 0.000 0.446 278 D N 5.887 126.373 120.400 0.144 0.000 2.280 278 D HA 0.290 4.930 4.640 0.000 0.000 0.236 278 D C 0.088 176.502 176.300 0.190 0.000 1.082 278 D CA -0.259 53.842 54.000 0.168 0.000 0.834 278 D CB 2.127 42.994 40.800 0.113 0.000 1.100 278 D HN 0.551 nan 8.370 nan 0.000 0.486 279 A N 1.829 124.753 122.820 0.173 0.000 3.077 279 A HA 0.183 4.503 4.320 0.000 0.000 0.255 279 A C 0.912 178.678 177.584 0.303 0.000 1.728 279 A CA -0.393 51.714 52.037 0.117 0.000 1.383 279 A CB -0.586 18.241 19.000 -0.288 0.000 1.097 279 A HN 0.355 nan 8.150 nan 0.000 0.634 280 S N 0.075 115.923 115.700 0.246 0.000 2.506 280 S HA 0.374 4.844 4.470 0.000 0.000 0.245 280 S C 0.406 175.041 174.600 0.059 0.000 1.088 280 S CA -0.694 57.592 58.200 0.143 0.000 1.099 280 S CB 0.246 63.486 63.200 0.066 0.000 0.805 280 S HN 0.509 nan 8.310 nan 0.000 0.461 281 R N 0.779 121.329 120.500 0.082 0.000 2.943 281 R HA 0.743 5.083 4.340 0.000 0.000 0.246 281 R C -0.182 176.012 176.300 -0.178 0.000 1.201 281 R CA -0.756 55.252 56.100 -0.153 0.000 1.056 281 R CB 0.476 30.512 30.300 -0.440 0.000 1.243 281 R HN 0.294 nan 8.270 nan 0.000 0.498 282 A N 2.265 124.993 122.820 -0.155 0.000 2.492 282 A HA 0.312 4.633 4.320 0.000 0.000 0.254 282 A C -1.997 175.405 177.584 -0.304 0.000 1.091 282 A CA -0.922 51.031 52.037 -0.141 0.000 0.768 282 A CB -0.578 18.377 19.000 -0.075 0.000 1.028 282 A HN 0.259 nan 8.150 nan 0.000 0.498 283 P HA 0.124 nan 4.420 nan 0.000 0.256 283 P C -0.444 176.705 177.300 -0.251 0.000 1.173 283 P CA 0.947 63.902 63.100 -0.242 0.000 0.768 283 P CB 0.418 32.106 31.700 -0.019 0.000 0.758 284 D N 2.376 122.589 120.400 -0.312 0.000 2.879 284 D HA 0.186 4.826 4.640 0.000 0.000 0.346 284 D C -1.332 174.753 176.300 -0.358 0.000 1.390 284 D CA -0.469 53.308 54.000 -0.371 0.000 0.838 284 D CB 0.763 41.215 40.800 -0.580 0.000 1.416 284 D HN 0.058 nan 8.370 nan 0.000 0.493 285 N N 0.413 118.816 118.700 -0.496 0.000 2.400 285 N HA 0.419 5.159 4.740 0.000 0.000 0.288 285 N C -1.150 173.995 175.510 -0.608 0.000 1.024 285 N CA -0.124 52.722 53.050 -0.339 0.000 0.894 285 N CB 1.165 39.485 38.487 -0.278 0.000 1.173 285 N HN 0.260 nan 8.380 nan 0.000 0.487 286 Y N -0.337 119.923 120.300 -0.066 0.000 2.462 286 Y HA 0.345 4.895 4.550 0.000 0.000 0.346 286 Y C -0.241 175.656 175.900 -0.005 0.000 0.976 286 Y CA -0.947 57.122 58.100 -0.051 0.000 1.044 286 Y CB 1.392 39.889 38.460 0.062 0.000 1.230 286 Y HN 0.409 nan 8.280 nan 0.000 0.455 287 W N 3.477 124.874 121.300 0.162 0.000 2.266 287 W HA 0.281 4.942 4.660 0.001 0.000 0.317 287 W C -0.559 176.013 176.519 0.088 0.000 1.310 287 W CA -0.437 56.965 57.345 0.094 0.000 1.207 287 W CB 0.513 29.980 29.460 0.011 0.000 1.199 287 W HN 0.410 nan 8.180 nan 0.000 0.544 288 F N 5.266 125.402 119.950 0.310 0.000 2.334 288 F HA 0.358 4.886 4.527 0.001 0.000 0.367 288 F C -0.413 175.455 175.800 0.113 0.000 1.115 288 F CA -0.787 57.264 58.000 0.084 0.000 1.116 288 F CB 0.050 39.148 39.000 0.164 0.000 1.230 288 F HN 0.236 nan 8.300 nan 0.000 0.484 289 N N 3.910 122.442 118.700 -0.280 0.000 2.456 289 N HA 0.517 5.257 4.740 0.000 0.000 0.288 289 N C -1.374 173.940 175.510 -0.326 0.000 1.059 289 N CA -0.558 52.364 53.050 -0.213 0.000 0.946 289 N CB 2.109 40.501 38.487 -0.160 0.000 1.150 289 N HN 0.283 nan 8.380 nan 0.000 0.479 290 V N 1.570 121.352 119.914 -0.220 0.000 2.370 290 V HA 0.566 4.686 4.120 0.000 0.000 0.283 290 V C 0.141 176.073 176.094 -0.270 0.000 1.023 290 V CA -0.462 61.641 62.300 -0.329 0.000 0.857 290 V CB 0.927 32.472 31.823 -0.463 0.000 0.985 290 V HN 0.900 nan 8.190 nan 0.000 0.443 291 T N 1.728 116.115 114.554 -0.278 0.000 2.901 291 T HA 0.799 5.149 4.350 0.000 0.000 0.293 291 T C -0.969 173.583 174.700 -0.247 0.000 1.084 291 T CA -0.616 61.400 62.100 -0.141 0.000 1.008 291 T CB 1.852 70.716 68.868 -0.008 0.000 1.170 291 T HN 0.111 nan 8.240 nan 0.000 0.509 292 F N -0.264 119.739 119.950 0.089 0.000 2.507 292 F HA 0.810 5.338 4.527 0.001 0.000 0.327 292 F C 0.953 176.822 175.800 0.115 0.000 1.068 292 F CA -0.300 57.770 58.000 0.116 0.000 0.965 292 F CB 2.348 41.373 39.000 0.043 0.000 1.192 292 F HN 1.097 nan 8.300 nan 0.000 0.476 293 G N -0.747 108.246 108.800 0.321 0.000 3.105 293 G HA2 0.476 4.437 3.960 0.000 0.000 0.277 293 G HA3 0.476 4.437 3.960 0.000 0.000 0.277 293 G C 0.357 175.345 174.900 0.147 0.000 1.375 293 G CA -0.584 44.637 45.100 0.201 0.000 0.962 293 G HN 1.240 nan 8.290 nan 0.000 0.541 294 G N -0.829 108.011 108.800 0.067 0.000 2.203 294 G HA2 -0.160 3.800 3.960 0.000 0.000 0.263 294 G HA3 -0.160 3.800 3.960 0.000 0.000 0.263 294 G C 0.674 175.605 174.900 0.053 0.000 1.012 294 G CA 0.891 46.006 45.100 0.026 0.000 0.749 294 G HN 1.349 nan 8.290 nan 0.000 0.512 295 Q N -3.241 116.606 119.800 0.079 0.000 2.435 295 Q HA -0.227 4.113 4.340 0.000 0.000 0.312 295 Q C 1.476 177.541 176.000 0.108 0.000 1.333 295 Q CA 2.160 58.017 55.803 0.092 0.000 0.883 295 Q CB -2.303 26.480 28.738 0.076 0.000 1.170 295 Q HN 2.443 nan 8.270 nan 0.000 0.443 296 A N -2.326 120.559 122.820 0.108 0.000 2.979 296 A HA -0.263 4.057 4.320 0.000 0.000 0.260 296 A C 1.611 179.250 177.584 0.092 0.000 1.282 296 A CA 1.987 54.085 52.037 0.101 0.000 0.971 296 A CB -1.868 17.267 19.000 0.225 0.000 1.124 296 A HN 1.368 nan 8.150 nan 0.000 0.826 297 A N -0.893 121.959 122.820 0.054 0.000 2.015 297 A HA 0.134 4.454 4.320 0.000 0.000 0.219 297 A C 1.676 179.223 177.584 -0.061 0.000 1.163 297 A CA 1.937 53.973 52.037 -0.002 0.000 0.646 297 A CB -0.941 18.032 19.000 -0.045 0.000 0.806 297 A HN 2.163 nan 8.150 nan 0.000 0.448 298 c N -2.770 115.795 118.600 -0.058 0.000 2.814 298 c HA 0.669 5.239 4.570 0.000 0.000 0.242 298 c C 0.722 174.825 174.090 0.022 0.000 1.704 298 c CA -0.680 55.549 56.329 -0.168 0.000 1.608 298 c CB -1.056 41.165 42.510 -0.482 0.000 2.939 298 c HN 1.762 nan 8.230 nan 0.000 0.512 299 G N -0.297 108.514 108.800 0.018 0.000 2.612 299 G HA2 0.501 4.461 3.960 0.000 0.000 0.686 299 G HA3 0.501 4.461 3.960 0.000 0.000 0.686 299 G C -0.430 174.100 174.900 -0.617 0.000 1.274 299 G CA -0.049 45.002 45.100 -0.080 0.000 0.849 299 G HN 2.218 nan 8.290 nan 0.000 0.595 300 G N -1.410 106.614 108.800 -1.294 0.000 2.601 300 G HA2 0.853 4.814 3.960 0.000 0.000 0.291 300 G HA3 0.853 4.814 3.960 0.000 0.000 0.291 300 G C -0.906 172.902 174.900 -1.820 0.000 1.456 300 G CA 0.898 44.447 45.100 -2.584 0.000 0.804 300 G HN 1.919 nan 8.290 nan 0.000 0.499 301 S N -0.876 114.082 115.700 -1.237 0.000 2.542 301 S HA 0.525 4.996 4.470 0.000 0.000 0.293 301 S C 0.944 175.574 174.600 0.050 0.000 1.089 301 S CA -0.763 57.261 58.200 -0.293 0.000 0.961 301 S CB 1.492 64.699 63.200 0.012 0.000 1.062 301 S HN 0.527 nan 8.310 nan 0.000 0.483 302 L N 2.495 123.789 121.223 0.118 0.000 2.552 302 L HA 0.160 4.500 4.340 0.000 0.000 0.227 302 L C 0.928 177.826 176.870 0.046 0.000 1.146 302 L CA 0.270 55.179 54.840 0.115 0.000 0.858 302 L CB -0.241 41.853 42.059 0.059 0.000 0.969 302 L HN 0.537 nan 8.230 nan 0.000 0.451 303 N N 1.207 119.924 118.700 0.027 0.000 2.420 303 N HA 0.107 4.847 4.740 0.000 0.000 0.249 303 N C -1.618 173.880 175.510 -0.021 0.000 1.033 303 N CA -1.848 51.210 53.050 0.013 0.000 0.944 303 N CB 1.541 40.043 38.487 0.025 0.000 1.113 303 N HN -0.101 nan 8.380 nan 0.000 0.502 304 P HA -0.051 nan 4.420 nan 0.000 0.223 304 P C -0.525 176.448 177.300 -0.546 0.000 1.151 304 P CA 1.232 64.129 63.100 -0.338 0.000 0.787 304 P CB 0.322 31.749 31.700 -0.456 0.000 0.788 305 H N -0.477 118.600 119.070 0.012 0.000 2.597 305 H HA 0.276 4.832 4.556 0.000 0.000 0.225 305 H C -2.312 172.982 175.328 -0.056 0.000 1.422 305 H CA -1.946 54.073 56.048 -0.047 0.000 1.335 305 H CB 0.444 30.131 29.762 -0.125 0.000 1.783 305 H HN 0.247 nan 8.280 nan 0.000 0.513 306 P HA 0.334 nan 4.420 nan 0.000 0.267 306 P C -0.274 177.048 177.300 0.037 0.000 1.205 306 P CA 0.145 63.259 63.100 0.023 0.000 0.765 306 P CB 1.558 33.224 31.700 -0.057 0.000 0.828 307 A N 2.075 124.989 122.820 0.157 0.000 2.601 307 A HA 0.768 5.089 4.320 0.000 0.000 0.291 307 A C -1.473 176.406 177.584 0.490 0.000 1.075 307 A CA -0.362 51.829 52.037 0.257 0.000 0.671 307 A CB 1.369 20.395 19.000 0.045 0.000 1.277 307 A HN 0.614 nan 8.150 nan 0.000 0.417 308 A N -0.121 123.049 122.820 0.584 0.000 2.437 308 A HA 0.906 5.226 4.320 0.000 0.000 0.292 308 A C -0.979 176.956 177.584 0.585 0.000 1.173 308 A CA -0.575 51.797 52.037 0.559 0.000 0.785 308 A CB 0.855 20.143 19.000 0.479 0.000 1.351 308 A HN 0.899 nan 8.150 nan 0.000 0.431 309 I N 0.174 120.978 120.570 0.391 0.000 2.433 309 I HA 0.377 4.547 4.170 0.000 0.000 0.292 309 I C -1.503 174.784 176.117 0.284 0.000 1.001 309 I CA -0.165 61.277 61.300 0.236 0.000 1.119 309 I CB 1.686 39.670 38.000 -0.027 0.000 1.289 309 I HN 0.450 nan 8.210 nan 0.000 0.438 310 F N 4.467 124.457 119.950 0.066 0.000 2.332 310 F HA 0.271 4.799 4.527 0.001 0.000 0.368 310 F C 0.260 176.137 175.800 0.130 0.000 1.110 310 F CA -0.694 57.335 58.000 0.049 0.000 1.087 310 F CB 0.384 39.386 39.000 0.003 0.000 1.235 310 F HN 0.406 nan 8.300 nan 0.000 0.470 311 H N 3.541 122.637 119.070 0.044 0.000 2.594 311 H HA 0.304 4.860 4.556 0.000 0.000 0.304 311 H C -1.078 174.320 175.328 0.117 0.000 1.068 311 H CA -0.427 55.665 56.048 0.073 0.000 1.308 311 H CB 0.305 30.055 29.762 -0.019 0.000 1.409 311 H HN 0.414 nan 8.280 nan 0.000 0.460 312 Y N 3.529 123.574 120.300 -0.426 0.000 2.442 312 Y HA 0.233 4.783 4.550 0.000 0.000 0.330 312 Y C 0.802 176.380 175.900 -0.536 0.000 1.129 312 Y CA 0.265 58.188 58.100 -0.296 0.000 1.365 312 Y CB 0.413 38.806 38.460 -0.110 0.000 1.233 312 Y HN 0.841 nan 8.280 nan 0.000 0.529 313 A N 2.712 125.454 122.820 -0.130 0.000 2.498 313 A HA 0.411 4.731 4.320 0.000 0.000 0.239 313 A C 1.434 179.030 177.584 0.019 0.000 1.068 313 A CA 0.637 52.671 52.037 -0.005 0.000 0.766 313 A CB -0.769 18.254 19.000 0.038 0.000 1.003 313 A HN 1.513 nan 8.150 nan 0.000 0.497 314 G N 0.492 109.346 108.800 0.090 0.000 2.225 314 G HA2 0.110 4.070 3.960 0.000 0.000 0.254 314 G HA3 0.110 4.070 3.960 0.000 0.000 0.254 314 G C 0.693 175.626 174.900 0.055 0.000 0.988 314 G CA 0.646 45.790 45.100 0.073 0.000 0.625 314 G HN 2.189 nan 8.290 nan 0.000 0.527 315 A N 1.463 124.274 122.820 -0.015 0.000 2.313 315 A HA 0.745 5.065 4.320 0.000 0.000 0.261 315 A C -0.779 176.895 177.584 0.150 0.000 1.090 315 A CA -0.289 51.736 52.037 -0.020 0.000 0.807 315 A CB 0.360 19.255 19.000 -0.175 0.000 1.055 315 A HN 0.350 nan 8.150 nan 0.000 0.492 316 P HA 0.266 nan 4.420 nan 0.000 0.275 316 P C 0.507 177.885 177.300 0.131 0.000 1.266 316 P CA 0.162 63.313 63.100 0.086 0.000 0.793 316 P CB 0.426 32.135 31.700 0.014 0.000 1.074 317 G N -1.505 107.317 108.800 0.037 0.000 2.546 317 G HA2 0.514 4.474 3.960 0.000 0.000 0.239 317 G HA3 0.514 4.474 3.960 0.000 0.000 0.239 317 G C 0.280 175.158 174.900 -0.037 0.000 1.476 317 G CA -0.038 45.046 45.100 -0.026 0.000 1.064 317 G HN 0.871 nan 8.290 nan 0.000 0.561 318 G N -2.135 106.630 108.800 -0.057 0.000 2.760 318 G HA2 -0.059 3.901 3.960 0.000 0.000 0.246 318 G HA3 -0.059 3.901 3.960 0.000 0.000 0.246 318 G C -0.219 174.602 174.900 -0.132 0.000 1.359 318 G CA -0.232 44.828 45.100 -0.067 0.000 0.861 318 G HN 0.854 nan 8.290 nan 0.000 0.541 319 L N 0.659 121.786 121.223 -0.161 0.000 2.421 319 L HA 0.483 4.823 4.340 0.000 0.000 0.263 319 L C -1.759 174.817 176.870 -0.489 0.000 1.122 319 L CA -1.868 52.761 54.840 -0.351 0.000 0.804 319 L CB 0.980 42.932 42.059 -0.179 0.000 1.150 319 L HN 0.352 nan 8.230 nan 0.000 0.457 320 P HA 0.044 nan 4.420 nan 0.000 0.269 320 P C 0.339 177.345 177.300 -0.490 0.000 1.215 320 P CA -0.108 62.459 63.100 -0.889 0.000 0.780 320 P CB 0.674 31.429 31.700 -1.576 0.000 0.898 321 T N -3.474 110.911 114.554 -0.282 0.000 2.990 321 T HA 0.084 4.434 4.350 0.000 0.000 0.250 321 T C 0.375 175.082 174.700 0.012 0.000 1.041 321 T CA 0.094 62.144 62.100 -0.083 0.000 1.010 321 T CB -0.207 68.606 68.868 -0.091 0.000 1.003 321 T HN 0.232 nan 8.240 nan 0.000 0.499 322 D N 1.862 122.261 120.400 -0.002 0.000 2.396 322 D HA 0.217 4.857 4.640 0.000 0.000 0.225 322 D C 0.728 177.174 176.300 0.245 0.000 1.121 322 D CA -0.365 53.688 54.000 0.088 0.000 0.853 322 D CB 1.154 41.991 40.800 0.060 0.000 1.043 322 D HN 0.279 nan 8.370 nan 0.000 0.500 323 E N 2.232 122.550 120.200 0.196 0.000 2.472 323 E HA 0.098 4.448 4.350 0.000 0.000 0.200 323 E C 1.248 177.900 176.600 0.088 0.000 1.046 323 E CA 0.350 56.836 56.400 0.143 0.000 0.871 323 E CB -0.064 29.643 29.700 0.012 0.000 0.806 323 E HN 0.770 nan 8.360 nan 0.000 0.533 324 G N 0.893 109.758 108.800 0.108 0.000 2.740 324 G HA2 -0.316 3.644 3.960 0.000 0.000 0.250 324 G HA3 -0.316 3.644 3.960 0.000 0.000 0.250 324 G C -0.128 174.790 174.900 0.029 0.000 1.358 324 G CA 0.068 45.213 45.100 0.075 0.000 0.897 324 G HN 0.220 nan 8.290 nan 0.000 0.567 325 T N 1.717 116.283 114.554 0.019 0.000 2.807 325 T HA 0.663 5.013 4.350 0.000 0.000 0.279 325 T C -1.672 173.029 174.700 0.000 0.000 0.993 325 T CA -0.480 61.624 62.100 0.007 0.000 0.970 325 T CB 1.226 70.098 68.868 0.006 0.000 0.950 325 T HN 0.788 nan 8.240 nan 0.000 0.441 326 P HA 0.220 nan 4.420 nan 0.000 0.264 326 P C -2.445 174.858 177.300 0.005 0.000 1.183 326 P CA -0.845 62.260 63.100 0.008 0.000 0.763 326 P CB -0.192 31.523 31.700 0.025 0.000 0.807 327 P HA 0.091 nan 4.420 nan 0.000 0.276 327 P C -0.153 177.151 177.300 0.007 0.000 1.252 327 P CA -0.372 62.736 63.100 0.013 0.000 0.802 327 P CB 0.583 32.306 31.700 0.038 0.000 1.035 328 V N 1.101 120.990 119.914 -0.043 0.000 3.032 328 V HA -0.060 4.060 4.120 0.000 0.000 0.307 328 V C 1.021 177.045 176.094 -0.116 0.000 1.097 328 V CA 0.431 62.658 62.300 -0.120 0.000 1.191 328 V CB -0.257 31.423 31.823 -0.239 0.000 0.964 328 V HN 0.625 nan 8.190 nan 0.000 0.494 329 D N 1.605 121.946 120.400 -0.098 0.000 2.325 329 D HA 0.085 4.726 4.640 0.000 0.000 0.251 329 D C 0.910 177.139 176.300 -0.119 0.000 1.196 329 D CA -0.062 53.921 54.000 -0.030 0.000 0.866 329 D CB 0.474 41.269 40.800 -0.008 0.000 1.101 329 D HN 0.610 nan 8.370 nan 0.000 0.476 330 H N 3.086 122.128 119.070 -0.048 0.000 2.551 330 H HA -0.000 4.556 4.556 0.000 0.000 0.266 330 H C 0.370 175.532 175.328 -0.277 0.000 0.977 330 H CA 0.263 56.222 56.048 -0.148 0.000 1.163 330 H CB 0.544 30.227 29.762 -0.132 0.000 1.381 330 H HN 0.503 nan 8.280 nan 0.000 0.581 331 Q N -0.773 118.965 119.800 -0.104 0.000 2.451 331 Q HA -0.179 4.161 4.340 0.000 0.000 0.305 331 Q C 0.627 176.460 176.000 -0.279 0.000 1.345 331 Q CA 0.786 56.503 55.803 -0.142 0.000 0.854 331 Q CB -2.652 26.015 28.738 -0.118 0.000 1.162 331 Q HN 0.706 nan 8.270 nan 0.000 0.440 332 c N -1.779 116.562 118.600 -0.433 0.000 4.274 332 c HA -0.233 4.337 4.570 0.000 0.000 0.297 332 c C 0.707 174.345 174.090 -0.754 0.000 1.446 332 c CA 0.986 56.960 56.329 -0.590 0.000 2.016 332 c CB -2.254 40.122 42.510 -0.224 0.000 1.273 332 c HN 0.493 nan 8.230 nan 0.000 0.782 333 L N 1.283 121.916 121.223 -0.984 0.000 2.385 333 L HA 0.521 4.861 4.340 0.000 0.000 0.273 333 L C 0.068 176.742 176.870 -0.328 0.000 0.990 333 L CA -0.451 54.107 54.840 -0.470 0.000 0.821 333 L CB 1.382 43.297 42.059 -0.241 0.000 1.279 333 L HN 0.219 nan 8.230 nan 0.000 0.412 334 D N 0.184 120.649 120.400 0.108 0.000 2.313 334 D HA 0.094 4.734 4.640 0.000 0.000 0.247 334 D C 0.110 176.526 176.300 0.194 0.000 1.094 334 D CA -0.394 53.811 54.000 0.341 0.000 0.925 334 D CB 1.576 42.616 40.800 0.400 0.000 1.188 334 D HN 0.316 nan 8.370 nan 0.000 0.430 335 T N 0.416 115.101 114.554 0.218 0.000 2.919 335 T HA 0.204 4.554 4.350 0.000 0.000 0.302 335 T C 0.911 175.695 174.700 0.139 0.000 1.031 335 T CA -0.458 61.730 62.100 0.146 0.000 1.127 335 T CB 0.065 69.009 68.868 0.126 0.000 0.952 335 T HN 0.367 nan 8.240 nan 0.000 0.540 336 L N 3.468 124.746 121.223 0.093 0.000 2.818 336 L HA 0.291 4.632 4.340 0.000 0.000 0.243 336 L C 1.051 177.966 176.870 0.075 0.000 1.185 336 L CA -0.156 54.737 54.840 0.089 0.000 0.988 336 L CB 0.195 42.292 42.059 0.063 0.000 1.292 336 L HN 0.594 nan 8.230 nan 0.000 0.519 337 D N 0.307 120.750 120.400 0.072 0.000 2.348 337 D HA -0.008 4.632 4.640 0.000 0.000 0.211 337 D C 1.033 177.373 176.300 0.066 0.000 0.998 337 D CA 0.456 54.490 54.000 0.057 0.000 0.873 337 D CB 0.242 41.067 40.800 0.042 0.000 0.925 337 D HN 0.181 nan 8.370 nan 0.000 0.524 338 V N 0.188 120.157 119.914 0.091 0.000 2.599 338 V HA 0.191 4.311 4.120 0.000 0.000 0.300 338 V C 0.332 176.476 176.094 0.084 0.000 1.034 338 V CA -0.294 62.065 62.300 0.100 0.000 1.115 338 V CB 0.577 32.488 31.823 0.148 0.000 0.934 338 V HN -0.095 nan 8.190 nan 0.000 0.485 339 R N 5.792 126.336 120.500 0.073 0.000 2.388 339 R HA 0.476 4.816 4.340 0.000 0.000 0.314 339 R C -2.766 173.576 176.300 0.070 0.000 0.959 339 R CA -2.119 54.020 56.100 0.066 0.000 0.851 339 R CB 2.105 32.438 30.300 0.055 0.000 1.168 339 R HN 0.595 nan 8.270 nan 0.000 0.472 340 P HA -0.027 nan 4.420 nan 0.000 0.267 340 P C 0.952 178.303 177.300 0.084 0.000 1.200 340 P CA -0.132 63.017 63.100 0.082 0.000 0.772 340 P CB 1.048 32.802 31.700 0.091 0.000 0.855 341 V N 2.502 122.474 119.914 0.097 0.000 2.261 341 V HA -0.148 3.973 4.120 0.000 0.000 0.246 341 V C 1.336 177.489 176.094 0.099 0.000 1.047 341 V CA 1.598 63.958 62.300 0.100 0.000 1.015 341 V CB -0.465 31.430 31.823 0.120 0.000 0.642 341 V HN 0.332 nan 8.190 nan 0.000 0.446 342 V N 3.804 123.787 119.914 0.115 0.000 2.389 342 V HA 0.226 4.346 4.120 0.000 0.000 0.264 342 V C -1.671 174.459 176.094 0.059 0.000 1.049 342 V CA -1.431 60.915 62.300 0.077 0.000 0.932 342 V CB 0.575 32.420 31.823 0.037 0.000 1.011 342 V HN 0.390 nan 8.190 nan 0.000 0.475 343 P HA 0.414 nan 4.420 nan 0.000 0.274 343 P C -0.769 176.567 177.300 0.059 0.000 1.256 343 P CA -0.591 62.541 63.100 0.052 0.000 0.795 343 P CB 1.228 32.956 31.700 0.046 0.000 1.038 344 R N -0.275 120.259 120.500 0.057 0.000 2.651 344 R HA 0.580 4.920 4.340 0.000 0.000 0.278 344 R C -0.943 175.353 176.300 -0.005 0.000 1.010 344 R CA -0.708 55.436 56.100 0.074 0.000 0.896 344 R CB 1.767 32.138 30.300 0.119 0.000 1.211 344 R HN 0.482 nan 8.270 nan 0.000 0.456 345 S N 0.837 116.523 115.700 -0.024 0.000 2.594 345 S HA 0.646 5.116 4.470 0.000 0.000 0.296 345 S C -1.497 172.982 174.600 -0.201 0.000 1.124 345 S CA -0.579 57.572 58.200 -0.081 0.000 1.011 345 S CB 1.334 64.525 63.200 -0.016 0.000 1.016 345 S HN 0.313 nan 8.310 nan 0.000 0.485 346 V N 6.532 126.275 119.914 -0.284 0.000 2.888 346 V HA 0.739 4.859 4.120 0.000 0.000 0.309 346 V C -2.507 173.491 176.094 -0.159 0.000 1.114 346 V CA -2.050 60.012 62.300 -0.396 0.000 0.940 346 V CB 2.512 33.808 31.823 -0.878 0.000 1.021 346 V HN 0.815 nan 8.190 nan 0.000 0.426 347 P HA 0.219 nan 4.420 nan 0.000 0.275 347 P C 0.224 177.523 177.300 -0.002 0.000 1.227 347 P CA 0.157 63.245 63.100 -0.019 0.000 0.781 347 P CB 1.660 33.356 31.700 -0.006 0.000 0.906 348 V N -0.111 119.794 119.914 -0.015 0.000 3.612 348 V HA 0.043 4.163 4.120 0.000 0.000 0.268 348 V C 1.805 177.896 176.094 -0.005 0.000 1.365 348 V CA 0.593 62.887 62.300 -0.011 0.000 1.044 348 V CB -0.778 31.061 31.823 0.026 0.000 0.820 348 V HN 0.476 nan 8.190 nan 0.000 0.444 349 N N 3.139 121.832 118.700 -0.011 0.000 2.289 349 N HA -0.171 4.569 4.740 0.000 0.000 0.184 349 N C 1.549 177.042 175.510 -0.029 0.000 1.016 349 N CA 1.927 54.974 53.050 -0.006 0.000 0.872 349 N CB -0.403 38.078 38.487 -0.012 0.000 0.973 349 N HN 0.703 nan 8.380 nan 0.000 0.433 350 S N -0.908 114.748 115.700 -0.073 0.000 2.593 350 S HA 0.104 4.575 4.470 0.000 0.000 0.217 350 S C 0.411 174.914 174.600 -0.161 0.000 0.966 350 S CA -0.805 57.326 58.200 -0.114 0.000 0.914 350 S CB -0.629 62.495 63.200 -0.127 0.000 0.776 350 S HN 0.278 nan 8.310 nan 0.000 0.523 351 F N 3.038 122.798 119.950 -0.318 0.000 2.563 351 F HA 0.448 4.975 4.527 0.000 0.000 0.363 351 F C -0.407 175.256 175.800 -0.229 0.000 1.123 351 F CA -0.591 57.184 58.000 -0.376 0.000 1.307 351 F CB 0.649 39.420 39.000 -0.381 0.000 1.115 351 F HN -0.071 nan 8.300 nan 0.000 0.592 352 V N 6.655 125.781 119.914 -1.314 0.000 2.567 352 V HA 0.166 4.286 4.120 0.000 0.000 0.298 352 V C -0.391 174.956 176.094 -1.244 0.000 1.047 352 V CA -1.488 60.212 62.300 -1.001 0.000 0.880 352 V CB 1.609 33.141 31.823 -0.485 0.000 1.009 352 V HN 0.719 nan 8.190 nan 0.000 0.429 353 K N 5.014 124.808 120.400 -1.009 0.000 2.453 353 K HA 0.242 4.563 4.320 0.000 0.000 0.280 353 K C -0.187 176.210 176.600 -0.338 0.000 1.045 353 K CA 0.383 56.313 56.287 -0.595 0.000 1.059 353 K CB 0.366 32.691 32.500 -0.291 0.000 0.901 353 K HN 0.634 nan 8.250 nan 0.000 0.475 354 R N 3.911 124.268 120.500 -0.238 0.000 2.771 354 R HA 0.215 4.556 4.340 0.000 0.000 0.274 354 R C -2.065 174.205 176.300 -0.050 0.000 0.987 354 R CA -2.079 53.938 56.100 -0.138 0.000 0.908 354 R CB 1.722 31.930 30.300 -0.153 0.000 1.213 354 R HN 0.372 nan 8.270 nan 0.000 0.468 355 P HA -0.167 nan 4.420 nan 0.000 0.217 355 P C 0.339 177.681 177.300 0.069 0.000 1.150 355 P CA 1.266 64.384 63.100 0.030 0.000 0.832 355 P CB 0.171 31.886 31.700 0.024 0.000 0.787 356 D N -0.952 119.477 120.400 0.047 0.000 2.378 356 D HA -0.109 4.531 4.640 0.000 0.000 0.227 356 D C 0.616 176.977 176.300 0.102 0.000 1.012 356 D CA 0.654 54.710 54.000 0.093 0.000 0.905 356 D CB -1.144 39.686 40.800 0.050 0.000 0.895 356 D HN 0.249 nan 8.370 nan 0.000 0.532 357 N N -1.420 117.303 118.700 0.038 0.000 2.240 357 N HA 0.058 4.798 4.740 0.000 0.000 0.240 357 N C -0.957 174.672 175.510 0.198 0.000 1.277 357 N CA -0.430 52.574 53.050 -0.077 0.000 0.873 357 N CB 0.258 38.579 38.487 -0.276 0.000 1.222 357 N HN -0.140 nan 8.380 nan 0.000 0.507 358 T N 1.228 115.921 114.554 0.231 0.000 2.792 358 T HA 0.473 4.824 4.350 0.000 0.000 0.280 358 T C -0.506 174.341 174.700 0.245 0.000 0.990 358 T CA -0.480 61.752 62.100 0.219 0.000 0.960 358 T CB 1.575 70.514 68.868 0.119 0.000 0.939 358 T HN 0.078 nan 8.240 nan 0.000 0.439 359 L N 5.890 127.267 121.223 0.258 0.000 2.356 359 L HA 0.348 4.688 4.340 0.000 0.000 0.264 359 L C -2.172 174.795 176.870 0.162 0.000 1.029 359 L CA -2.067 52.895 54.840 0.204 0.000 0.897 359 L CB 1.139 43.338 42.059 0.233 0.000 1.256 359 L HN 0.321 nan 8.230 nan 0.000 0.444 360 P HA 0.107 nan 4.420 nan 0.000 0.281 360 P C -0.355 177.006 177.300 0.102 0.000 1.286 360 P CA -0.139 63.034 63.100 0.121 0.000 0.772 360 P CB 1.584 33.347 31.700 0.105 0.000 0.862 361 V N 4.013 123.993 119.914 0.109 0.000 2.461 361 V HA 0.549 4.669 4.120 0.000 0.000 0.275 361 V C 0.695 176.876 176.094 0.146 0.000 1.047 361 V CA -0.227 62.132 62.300 0.098 0.000 0.955 361 V CB 0.699 32.545 31.823 0.038 0.000 0.988 361 V HN 0.738 nan 8.190 nan 0.000 0.471 362 A N 5.238 128.148 122.820 0.150 0.000 2.398 362 A HA 0.793 5.113 4.320 0.000 0.000 0.301 362 A C -1.185 176.419 177.584 0.033 0.000 1.041 362 A CA -0.619 51.481 52.037 0.106 0.000 0.711 362 A CB 1.490 20.526 19.000 0.060 0.000 1.240 362 A HN 0.777 nan 8.150 nan 0.000 0.420 363 L N 1.953 123.106 121.223 -0.117 0.000 2.265 363 L HA 0.545 4.886 4.340 0.000 0.000 0.288 363 L C -0.689 176.027 176.870 -0.256 0.000 1.058 363 L CA 0.065 54.609 54.840 -0.494 0.000 0.809 363 L CB 0.990 42.610 42.059 -0.732 0.000 1.179 363 L HN 0.649 nan 8.230 nan 0.000 0.429 364 D N 4.470 124.726 120.400 -0.240 0.000 2.303 364 D HA 0.286 4.926 4.640 0.000 0.000 0.236 364 D C 0.133 176.374 176.300 -0.099 0.000 1.068 364 D CA -0.101 53.827 54.000 -0.121 0.000 0.830 364 D CB 1.167 41.918 40.800 -0.083 0.000 1.109 364 D HN 0.628 nan 8.370 nan 0.000 0.496 365 L N 2.832 124.017 121.223 -0.063 0.000 2.808 365 L HA 0.124 4.464 4.340 0.000 0.000 0.246 365 L C 1.907 178.735 176.870 -0.070 0.000 1.153 365 L CA 0.083 54.888 54.840 -0.058 0.000 0.956 365 L CB 0.424 42.470 42.059 -0.022 0.000 1.270 365 L HN 0.451 nan 8.230 nan 0.000 0.528 366 T N -3.714 110.805 114.554 -0.058 0.000 3.081 366 T HA 0.214 4.564 4.350 0.000 0.000 0.250 366 T C 0.999 175.667 174.700 -0.054 0.000 1.100 366 T CA 0.465 62.535 62.100 -0.051 0.000 1.038 366 T CB 0.334 69.180 68.868 -0.036 0.000 0.962 366 T HN 0.232 nan 8.240 nan 0.000 0.516 367 G N 0.314 109.077 108.800 -0.062 0.000 3.099 367 G HA2 0.594 4.554 3.960 0.000 0.000 0.151 367 G HA3 0.594 4.554 3.960 0.000 0.000 0.151 367 G C -1.123 173.734 174.900 -0.071 0.000 1.265 367 G CA -0.559 44.507 45.100 -0.057 0.000 0.981 367 G HN 0.289 nan 8.290 nan 0.000 0.601 368 T N 2.105 116.623 114.554 -0.060 0.000 3.011 368 T HA 0.532 4.882 4.350 0.000 0.000 0.303 368 T C -2.087 172.583 174.700 -0.050 0.000 0.997 368 T CA -0.450 61.611 62.100 -0.066 0.000 1.007 368 T CB 1.977 70.816 68.868 -0.048 0.000 1.017 368 T HN 0.560 nan 8.240 nan 0.000 0.443 369 P HA 0.274 nan 4.420 nan 0.000 0.288 369 P C 0.993 178.196 177.300 -0.161 0.000 1.291 369 P CA -0.616 62.414 63.100 -0.116 0.000 0.766 369 P CB 0.740 32.371 31.700 -0.115 0.000 1.242 370 L N -0.840 120.215 121.223 -0.280 0.000 2.044 370 L HA 0.111 4.451 4.340 0.000 0.000 0.205 370 L C 1.136 177.812 176.870 -0.324 0.000 1.075 370 L CA 1.299 55.898 54.840 -0.401 0.000 0.747 370 L CB -0.807 40.828 42.059 -0.707 0.000 0.903 370 L HN 0.241 nan 8.230 nan 0.000 0.435 371 F N 0.475 120.333 119.950 -0.153 0.000 2.351 371 F HA 0.375 4.902 4.527 -0.001 0.000 0.362 371 F C -0.376 175.298 175.800 -0.211 0.000 1.131 371 F CA -0.936 56.936 58.000 -0.214 0.000 1.187 371 F CB 0.589 39.522 39.000 -0.113 0.000 1.434 371 F HN -0.346 nan 8.300 nan 0.000 0.553 372 V N 2.782 122.632 119.914 -0.106 0.000 2.409 372 V HA 0.251 4.371 4.120 0.000 0.000 0.291 372 V C -0.740 175.231 176.094 -0.205 0.000 1.020 372 V CA -1.010 61.244 62.300 -0.077 0.000 0.848 372 V CB 1.239 33.037 31.823 -0.042 0.000 0.990 372 V HN 0.538 nan 8.190 nan 0.000 0.430 373 W N 4.347 125.661 121.300 0.024 0.000 2.417 373 W HA 0.656 5.316 4.660 -0.000 0.000 0.317 373 W C 0.226 176.722 176.519 -0.038 0.000 1.121 373 W CA -0.502 56.825 57.345 -0.029 0.000 1.208 373 W CB 1.147 30.562 29.460 -0.076 0.000 1.253 373 W HN 0.317 nan 8.180 nan 0.000 0.533 374 K N 1.937 122.444 120.400 0.177 0.000 2.426 374 K HA 0.692 5.012 4.320 0.000 0.000 0.251 374 K C -1.403 175.244 176.600 0.079 0.000 0.941 374 K CA -1.132 55.209 56.287 0.090 0.000 0.808 374 K CB 2.610 35.136 32.500 0.044 0.000 1.265 374 K HN 0.128 nan 8.250 nan 0.000 0.432 375 V N 2.624 122.560 119.914 0.038 0.000 2.444 375 V HA 0.189 4.310 4.120 0.000 0.000 0.294 375 V C 0.059 176.167 176.094 0.023 0.000 1.022 375 V CA -0.783 61.532 62.300 0.025 0.000 0.850 375 V CB 1.031 32.846 31.823 -0.014 0.000 0.992 375 V HN 0.949 nan 8.190 nan 0.000 0.426 376 N N 3.678 122.404 118.700 0.043 0.000 2.740 376 N HA -0.191 4.549 4.740 0.000 0.000 0.248 376 N C 1.003 176.532 175.510 0.031 0.000 1.062 376 N CA 1.831 54.907 53.050 0.044 0.000 0.704 376 N CB -1.021 37.492 38.487 0.043 0.000 0.968 376 N HN 1.668 nan 8.380 nan 0.000 0.547 377 G N -2.240 106.578 108.800 0.030 0.000 2.157 377 G HA2 -0.177 3.783 3.960 0.000 0.000 0.248 377 G HA3 -0.177 3.783 3.960 0.000 0.000 0.248 377 G C -0.056 174.851 174.900 0.012 0.000 0.979 377 G CA 0.740 45.852 45.100 0.021 0.000 0.650 377 G HN 1.442 nan 8.290 nan 0.000 0.529 378 S N 0.797 116.503 115.700 0.010 0.000 2.614 378 S HA 0.501 4.971 4.470 0.000 0.000 0.275 378 S C -0.899 173.701 174.600 0.001 0.000 1.161 378 S CA 0.038 58.238 58.200 0.000 0.000 0.969 378 S CB 1.156 64.349 63.200 -0.011 0.000 1.059 378 S HN 0.571 nan 8.310 nan 0.000 0.482 379 D N 4.490 124.894 120.400 0.005 0.000 2.317 379 D HA 0.163 4.803 4.640 0.000 0.000 0.252 379 D C 0.524 176.814 176.300 -0.016 0.000 1.174 379 D CA -0.404 53.606 54.000 0.016 0.000 0.866 379 D CB 0.779 41.597 40.800 0.030 0.000 1.127 379 D HN 0.594 nan 8.370 nan 0.000 0.467 380 I N 2.009 122.559 120.570 -0.033 0.000 2.813 380 I HA -0.028 4.142 4.170 0.000 0.000 0.287 380 I C 0.104 176.170 176.117 -0.085 0.000 1.196 380 I CA 0.282 61.539 61.300 -0.071 0.000 1.421 380 I CB 0.348 38.290 38.000 -0.097 0.000 1.365 380 I HN 0.452 nan 8.210 nan 0.000 0.591 381 N N 7.219 125.853 118.700 -0.110 0.000 2.793 381 N HA 0.129 4.869 4.740 0.000 0.000 0.251 381 N C -1.027 174.381 175.510 -0.171 0.000 1.308 381 N CA -0.473 52.490 53.050 -0.146 0.000 0.781 381 N CB 1.133 39.551 38.487 -0.115 0.000 1.439 381 N HN 0.398 nan 8.380 nan 0.000 0.562 382 V N 0.233 120.017 119.914 -0.216 0.000 3.185 382 V HA 0.453 4.573 4.120 0.000 0.000 0.305 382 V C 0.299 176.240 176.094 -0.255 0.000 1.090 382 V CA -0.223 61.959 62.300 -0.197 0.000 1.107 382 V CB 1.218 32.934 31.823 -0.179 0.000 1.061 382 V HN 0.508 nan 8.190 nan 0.000 0.480 383 D N 2.240 122.562 120.400 -0.129 0.000 2.392 383 D HA 0.255 4.895 4.640 0.000 0.000 0.228 383 D C 0.466 176.782 176.300 0.026 0.000 1.074 383 D CA -0.605 53.343 54.000 -0.087 0.000 0.838 383 D CB 0.844 41.665 40.800 0.035 0.000 1.067 383 D HN 0.671 nan 8.370 nan 0.000 0.511 384 W N 2.654 123.898 121.300 -0.093 0.000 2.350 384 W HA 0.011 4.671 4.660 0.000 0.000 0.289 384 W C 1.829 178.309 176.519 -0.065 0.000 1.215 384 W CA 1.039 58.288 57.345 -0.160 0.000 1.236 384 W CB -0.670 28.638 29.460 -0.253 0.000 1.130 384 W HN 0.603 nan 8.180 nan 0.000 0.541 385 G N -0.444 108.539 108.800 0.304 0.000 3.141 385 G HA2 0.022 3.982 3.960 0.000 0.000 0.218 385 G HA3 0.022 3.982 3.960 0.000 0.000 0.218 385 G C 0.469 175.475 174.900 0.178 0.000 1.170 385 G CA -0.073 45.210 45.100 0.305 0.000 0.769 385 G HN 0.122 nan 8.290 nan 0.000 0.546 386 K N 0.656 121.156 120.400 0.166 0.000 2.987 386 K HA 0.289 4.609 4.320 0.000 0.000 0.224 386 K C -3.013 173.747 176.600 0.266 0.000 1.209 386 K CA -1.107 55.285 56.287 0.174 0.000 0.971 386 K CB 1.899 34.483 32.500 0.140 0.000 1.252 386 K HN -0.081 nan 8.250 nan 0.000 0.580 387 P HA 0.069 nan 4.420 nan 0.000 0.271 387 P C 0.718 178.245 177.300 0.379 0.000 1.244 387 P CA -0.528 62.749 63.100 0.295 0.000 0.793 387 P CB 0.620 32.542 31.700 0.371 0.000 0.984 388 I N 0.874 121.568 120.570 0.207 0.000 2.394 388 I HA -0.171 3.999 4.170 0.000 0.000 0.251 388 I C 1.898 178.134 176.117 0.197 0.000 1.136 388 I CA 1.223 62.612 61.300 0.149 0.000 1.425 388 I CB -0.733 37.181 38.000 -0.144 0.000 1.079 388 I HN 0.335 nan 8.210 nan 0.000 0.425 389 I N 0.236 120.842 120.570 0.059 0.000 2.454 389 I HA -0.290 3.880 4.170 0.000 0.000 0.254 389 I C 2.227 178.286 176.117 -0.096 0.000 1.156 389 I CA 1.397 62.604 61.300 -0.155 0.000 1.433 389 I CB -1.188 36.503 38.000 -0.515 0.000 1.082 389 I HN 0.362 nan 8.210 nan 0.000 0.432 390 D N -0.090 120.425 120.400 0.192 0.000 2.219 390 D HA -0.217 4.423 4.640 0.000 0.000 0.205 390 D C 2.087 178.441 176.300 0.089 0.000 0.970 390 D CA 1.063 55.187 54.000 0.207 0.000 0.851 390 D CB 0.214 41.168 40.800 0.257 0.000 0.943 390 D HN 0.307 nan 8.370 nan 0.000 0.488 391 Y N 0.572 120.938 120.300 0.109 0.000 2.263 391 Y HA -0.054 4.496 4.550 0.000 0.000 0.292 391 Y C 2.459 178.416 175.900 0.094 0.000 1.130 391 Y CA 0.266 58.442 58.100 0.126 0.000 1.179 391 Y CB -0.205 38.416 38.460 0.270 0.000 0.998 391 Y HN -0.003 nan 8.280 nan 0.000 0.532 392 I N -0.142 120.568 120.570 0.234 0.000 2.286 392 I HA -0.267 3.903 4.170 0.000 0.000 0.248 392 I C 2.040 178.182 176.117 0.042 0.000 1.115 392 I CA 1.591 62.956 61.300 0.110 0.000 1.392 392 I CB -1.046 36.962 38.000 0.014 0.000 1.065 392 I HN 0.305 nan 8.210 nan 0.000 0.418 393 L N 0.168 121.396 121.223 0.008 0.000 2.131 393 L HA -0.120 4.220 4.340 0.000 0.000 0.206 393 L C 2.255 179.134 176.870 0.016 0.000 1.087 393 L CA 1.614 56.449 54.840 -0.009 0.000 0.767 393 L CB -0.662 41.378 42.059 -0.032 0.000 0.917 393 L HN 0.314 nan 8.230 nan 0.000 0.441 394 T N -3.747 110.820 114.554 0.021 0.000 3.144 394 T HA 0.238 4.588 4.350 0.000 0.000 0.249 394 T C 1.428 176.139 174.700 0.018 0.000 1.089 394 T CA 0.350 62.455 62.100 0.008 0.000 0.989 394 T CB 0.413 69.267 68.868 -0.024 0.000 0.992 394 T HN 0.434 nan 8.240 nan 0.000 0.540 395 G N 1.790 110.616 108.800 0.043 0.000 2.166 395 G HA2 -0.300 3.661 3.960 0.000 0.000 0.260 395 G HA3 -0.300 3.661 3.960 0.000 0.000 0.260 395 G C 0.055 174.981 174.900 0.044 0.000 0.986 395 G CA 0.092 45.221 45.100 0.048 0.000 0.683 395 G HN 0.725 nan 8.290 nan 0.000 0.527 396 N N 0.591 119.327 118.700 0.060 0.000 2.497 396 N HA 0.342 5.082 4.740 0.000 0.000 0.271 396 N C 1.474 176.977 175.510 -0.012 0.000 1.142 396 N CA 0.979 54.056 53.050 0.045 0.000 0.965 396 N CB 0.903 39.420 38.487 0.051 0.000 1.077 396 N HN 0.424 nan 8.380 nan 0.000 0.462 397 T N -1.709 112.706 114.554 -0.232 0.000 3.040 397 T HA 0.165 4.516 4.350 0.000 0.000 0.266 397 T C 0.215 174.331 174.700 -0.974 0.000 1.005 397 T CA -0.343 61.328 62.100 -0.715 0.000 0.906 397 T CB -0.139 68.557 68.868 -0.287 0.000 1.082 397 T HN 0.232 nan 8.240 nan 0.000 0.531 398 S N 2.633 118.054 115.700 -0.465 0.000 4.139 398 S HA 0.321 4.791 4.470 0.000 0.000 0.215 398 S C -0.599 173.859 174.600 -0.238 0.000 1.390 398 S CA -0.757 57.284 58.200 -0.265 0.000 0.885 398 S CB -1.045 62.113 63.200 -0.069 0.000 1.560 398 S HN 0.524 nan 8.310 nan 0.000 0.449 399 Y N 2.795 123.030 120.300 -0.107 0.000 2.425 399 Y HA 0.262 4.812 4.550 0.000 0.000 0.331 399 Y C -1.421 174.390 175.900 -0.149 0.000 1.157 399 Y CA -2.181 55.740 58.100 -0.298 0.000 1.372 399 Y CB -0.254 38.007 38.460 -0.332 0.000 1.253 399 Y HN 0.307 nan 8.280 nan 0.000 0.536 400 P HA 0.018 nan 4.420 nan 0.000 0.275 400 P C 0.671 177.974 177.300 0.004 0.000 1.227 400 P CA -0.203 62.911 63.100 0.023 0.000 0.781 400 P CB 1.673 33.395 31.700 0.037 0.000 0.906 401 V N 2.354 122.272 119.914 0.007 0.000 2.380 401 V HA -0.257 3.863 4.120 0.000 0.000 0.251 401 V C 2.463 178.542 176.094 -0.025 0.000 1.063 401 V CA 2.521 64.819 62.300 -0.004 0.000 1.055 401 V CB -1.360 30.464 31.823 0.002 0.000 0.657 401 V HN 0.607 nan 8.190 nan 0.000 0.455 402 S N -0.507 115.176 115.700 -0.028 0.000 2.440 402 S HA -0.216 4.254 4.470 0.000 0.000 0.238 402 S C 1.597 176.153 174.600 -0.073 0.000 1.010 402 S CA 1.305 59.477 58.200 -0.045 0.000 0.972 402 S CB -0.369 62.805 63.200 -0.044 0.000 0.774 402 S HN 0.647 nan 8.310 nan 0.000 0.501 403 D N 1.106 121.456 120.400 -0.083 0.000 2.347 403 D HA 0.033 4.674 4.640 0.000 0.000 0.213 403 D C -0.152 176.064 176.300 -0.140 0.000 0.985 403 D CA 0.185 54.111 54.000 -0.124 0.000 0.879 403 D CB -0.147 40.559 40.800 -0.157 0.000 0.919 403 D HN 0.175 nan 8.370 nan 0.000 0.526 404 N N 1.036 119.670 118.700 -0.110 0.000 2.696 404 N HA -0.172 4.568 4.740 0.000 0.000 0.256 404 N C -0.611 174.799 175.510 -0.166 0.000 1.031 404 N CA 0.397 53.376 53.050 -0.118 0.000 0.730 404 N CB -1.102 37.311 38.487 -0.123 0.000 0.894 404 N HN 0.292 nan 8.380 nan 0.000 0.544 405 I N 0.531 121.008 120.570 -0.155 0.000 2.416 405 I HA 0.126 4.296 4.170 0.000 0.000 0.288 405 I C 0.762 176.801 176.117 -0.130 0.000 1.051 405 I CA -0.293 60.888 61.300 -0.198 0.000 1.375 405 I CB 1.020 38.852 38.000 -0.278 0.000 1.407 405 I HN -0.123 nan 8.210 nan 0.000 0.516 406 V N 7.108 126.932 119.914 -0.150 0.000 2.266 406 V HA 0.232 4.352 4.120 0.000 0.000 0.271 406 V C 0.293 176.437 176.094 0.082 0.000 1.032 406 V CA -0.741 61.528 62.300 -0.051 0.000 0.806 406 V CB 1.011 32.691 31.823 -0.238 0.000 1.052 406 V HN 0.721 nan 8.190 nan 0.000 0.449 407 Q N 3.198 123.059 119.800 0.101 0.000 2.297 407 Q HA 0.419 4.760 4.340 0.000 0.000 0.267 407 Q C -0.968 175.158 176.000 0.211 0.000 1.006 407 Q CA -0.086 55.795 55.803 0.130 0.000 0.896 407 Q CB 1.357 30.160 28.738 0.109 0.000 1.186 407 Q HN 0.595 nan 8.270 nan 0.000 0.392 408 V N 5.374 125.422 119.914 0.223 0.000 2.325 408 V HA 0.106 4.226 4.120 0.000 0.000 0.280 408 V C -0.150 176.032 176.094 0.146 0.000 1.016 408 V CA -0.556 61.880 62.300 0.227 0.000 0.818 408 V CB 1.276 33.261 31.823 0.270 0.000 1.019 408 V HN 0.880 nan 8.190 nan 0.000 0.434 409 D N 2.855 123.323 120.400 0.114 0.000 2.323 409 D HA 0.084 4.724 4.640 0.000 0.000 0.209 409 D C 1.380 177.716 176.300 0.059 0.000 0.973 409 D CA 0.573 54.623 54.000 0.083 0.000 0.874 409 D CB 0.509 41.353 40.800 0.073 0.000 0.930 409 D HN 0.668 nan 8.370 nan 0.000 0.521 410 A N 1.007 123.855 122.820 0.046 0.000 2.565 410 A HA 0.104 4.424 4.320 0.000 0.000 0.237 410 A C 0.365 177.953 177.584 0.006 0.000 1.053 410 A CA 0.112 52.158 52.037 0.015 0.000 0.755 410 A CB 0.377 19.370 19.000 -0.011 0.000 0.980 410 A HN -0.016 nan 8.150 nan 0.000 0.506 411 V N 4.022 123.936 119.914 0.000 0.000 2.334 411 V HA 0.240 4.361 4.120 0.000 0.000 0.267 411 V C 0.526 176.598 176.094 -0.036 0.000 1.040 411 V CA 0.622 62.920 62.300 -0.003 0.000 0.866 411 V CB 0.363 32.190 31.823 0.008 0.000 1.019 411 V HN 1.119 nan 8.190 nan 0.000 0.468 412 D N 3.052 123.416 120.400 -0.061 0.000 2.837 412 D HA -0.154 4.486 4.640 0.000 0.000 0.230 412 D C 0.322 176.505 176.300 -0.195 0.000 1.152 412 D CA 1.000 54.925 54.000 -0.125 0.000 0.736 412 D CB -0.145 40.601 40.800 -0.090 0.000 1.084 412 D HN 0.608 nan 8.370 nan 0.000 0.429 413 Q N -0.828 118.862 119.800 -0.183 0.000 2.301 413 Q HA 0.410 4.750 4.340 0.000 0.000 0.267 413 Q C 0.008 175.856 176.000 -0.253 0.000 1.035 413 Q CA -0.513 55.191 55.803 -0.165 0.000 0.856 413 Q CB 0.563 29.269 28.738 -0.054 0.000 1.337 413 Q HN 0.222 nan 8.270 nan 0.000 0.450 414 W N 1.667 122.867 121.300 -0.167 0.000 2.216 414 W HA 0.204 4.864 4.660 0.000 0.000 0.326 414 W C 0.576 176.847 176.519 -0.413 0.000 1.319 414 W CA 0.110 57.260 57.345 -0.325 0.000 1.213 414 W CB 0.764 30.027 29.460 -0.328 0.000 1.171 414 W HN 0.395 nan 8.180 nan 0.000 0.557 415 T N 0.722 115.057 114.554 -0.366 0.000 2.841 415 T HA 0.533 4.883 4.350 0.000 0.000 0.283 415 T C -1.212 173.076 174.700 -0.686 0.000 1.000 415 T CA -0.885 60.936 62.100 -0.465 0.000 0.977 415 T CB 0.972 69.568 68.868 -0.453 0.000 0.979 415 T HN 0.187 nan 8.240 nan 0.000 0.446 416 Y N 0.780 120.685 120.300 -0.659 0.000 2.360 416 Y HA 0.641 5.191 4.550 0.000 0.000 0.337 416 Y C -0.758 174.568 175.900 -0.957 0.000 1.039 416 Y CA -1.256 56.480 58.100 -0.605 0.000 1.109 416 Y CB 1.454 39.650 38.460 -0.439 0.000 1.201 416 Y HN 0.706 nan 8.280 nan 0.000 0.458 417 W N 4.575 125.840 121.300 -0.059 0.000 2.781 417 W HA 0.584 5.244 4.660 -0.000 0.000 0.333 417 W C -1.478 175.011 176.519 -0.050 0.000 1.047 417 W CA -0.733 56.614 57.345 0.002 0.000 1.236 417 W CB 1.516 31.001 29.460 0.042 0.000 1.394 417 W HN 0.278 nan 8.180 nan 0.000 0.466 418 L N 5.049 126.377 121.223 0.175 0.000 2.280 418 L HA 0.639 4.979 4.340 0.000 0.000 0.287 418 L C -1.005 176.005 176.870 0.233 0.000 1.023 418 L CA -0.510 54.391 54.840 0.102 0.000 0.819 418 L CB 0.211 42.276 42.059 0.011 0.000 1.212 418 L HN 0.321 nan 8.230 nan 0.000 0.420 419 I N 4.455 125.187 120.570 0.270 0.000 2.336 419 I HA 0.370 4.540 4.170 0.000 0.000 0.292 419 I C -0.131 176.159 176.117 0.288 0.000 0.991 419 I CA -0.118 61.348 61.300 0.277 0.000 1.227 419 I CB 1.468 39.637 38.000 0.281 0.000 1.366 419 I HN 0.566 nan 8.210 nan 0.000 0.466 420 E N 4.323 124.673 120.200 0.249 0.000 2.151 420 E HA 0.264 4.614 4.350 0.000 0.000 0.275 420 E C -0.569 176.163 176.600 0.219 0.000 0.936 420 E CA -0.743 55.821 56.400 0.273 0.000 0.777 420 E CB 1.245 31.087 29.700 0.236 0.000 1.108 420 E HN 0.303 nan 8.360 nan 0.000 0.401 421 N N 3.378 122.217 118.700 0.232 0.000 3.034 421 N HA -0.014 4.726 4.740 0.000 0.000 0.265 421 N C -0.740 174.887 175.510 0.195 0.000 1.166 421 N CA -0.008 53.164 53.050 0.204 0.000 1.081 421 N CB -0.181 38.423 38.487 0.195 0.000 1.378 421 N HN 0.470 nan 8.380 nan 0.000 0.520 422 D N 1.467 121.977 120.400 0.183 0.000 2.720 422 D HA -0.172 4.468 4.640 0.000 0.000 0.229 422 D C -1.512 174.873 176.300 0.142 0.000 1.198 422 D CA -0.012 54.082 54.000 0.157 0.000 0.639 422 D CB 0.064 40.968 40.800 0.173 0.000 1.003 422 D HN 0.378 nan 8.370 nan 0.000 0.411 423 P HA -0.168 nan 4.420 nan 0.000 0.216 423 P C 0.966 178.330 177.300 0.107 0.000 1.154 423 P CA 1.190 64.379 63.100 0.148 0.000 0.865 423 P CB 0.202 32.006 31.700 0.173 0.000 0.789 424 E N -0.872 119.384 120.200 0.093 0.000 2.465 424 E HA 0.179 4.529 4.350 0.000 0.000 0.191 424 E C 1.257 177.896 176.600 0.066 0.000 1.053 424 E CA 0.100 56.542 56.400 0.071 0.000 0.869 424 E CB -0.382 29.354 29.700 0.061 0.000 0.977 424 E HN 0.179 nan 8.360 nan 0.000 0.483 425 G N 2.026 110.873 108.800 0.078 0.000 2.621 425 G HA2 0.224 4.184 3.960 0.000 0.000 0.271 425 G HA3 0.224 4.184 3.960 0.000 0.000 0.271 425 G C -1.596 173.359 174.900 0.091 0.000 1.236 425 G CA -0.818 44.328 45.100 0.077 0.000 0.958 425 G HN -0.057 nan 8.290 nan 0.000 0.512 426 P HA 0.158 nan 4.420 nan 0.000 0.222 426 P C -0.322 177.118 177.300 0.233 0.000 1.157 426 P CA 0.450 63.624 63.100 0.124 0.000 0.816 426 P CB 0.321 32.074 31.700 0.089 0.000 0.813 427 F N -0.339 119.625 119.950 0.024 0.000 2.569 427 F HA 0.650 5.178 4.527 0.001 0.000 0.312 427 F C -1.010 174.829 175.800 0.065 0.000 1.109 427 F CA -1.422 56.597 58.000 0.032 0.000 0.919 427 F CB 1.884 40.891 39.000 0.011 0.000 1.211 427 F HN -0.402 nan 8.300 nan 0.000 0.446 428 S N 6.173 121.715 115.700 -0.263 0.000 2.538 428 S HA 0.868 5.339 4.470 0.000 0.000 0.288 428 S C -1.504 172.852 174.600 -0.407 0.000 1.108 428 S CA -0.498 57.587 58.200 -0.192 0.000 0.971 428 S CB 0.868 64.062 63.200 -0.011 0.000 1.041 428 S HN 0.633 nan 8.310 nan 0.000 0.483 429 L N 3.986 125.016 121.223 -0.323 0.000 2.319 429 L HA 0.632 4.972 4.340 0.000 0.000 0.267 429 L C -2.447 174.121 176.870 -0.504 0.000 1.011 429 L CA -2.771 51.805 54.840 -0.439 0.000 0.818 429 L CB 2.174 43.972 42.059 -0.435 0.000 1.316 429 L HN 0.434 nan 8.230 nan 0.000 0.432 430 P HA 0.156 nan 4.420 nan 0.000 0.275 430 P C -1.372 175.654 177.300 -0.456 0.000 1.227 430 P CA 0.034 62.940 63.100 -0.323 0.000 0.781 430 P CB 0.438 31.983 31.700 -0.259 0.000 0.906 431 H N 3.083 122.133 119.070 -0.035 0.000 2.744 431 H HA 0.255 4.812 4.556 0.001 0.000 0.339 431 H C -2.402 172.975 175.328 0.082 0.000 1.004 431 H CA -1.939 54.111 56.048 0.004 0.000 1.257 431 H CB 2.063 31.769 29.762 -0.094 0.000 1.552 431 H HN 0.283 nan 8.280 nan 0.000 0.522 432 P HA 0.107 nan 4.420 nan 0.000 0.280 432 P C -0.203 177.212 177.300 0.191 0.000 1.386 432 P CA -0.502 62.757 63.100 0.265 0.000 0.899 432 P CB 0.483 32.342 31.700 0.265 0.000 1.098 433 M N 3.640 123.328 119.600 0.147 0.000 2.185 433 M HA 0.240 4.720 4.480 0.000 0.000 0.357 433 M C 0.250 176.695 176.300 0.242 0.000 1.260 433 M CA -0.213 55.096 55.300 0.016 0.000 1.124 433 M CB -0.451 32.094 32.600 -0.093 0.000 1.600 433 M HN 0.451 nan 8.290 nan 0.000 0.467 434 H N 2.386 121.452 119.070 -0.007 0.000 2.679 434 H HA 0.690 5.246 4.556 0.000 0.000 0.360 434 H C -2.079 173.405 175.328 0.261 0.000 1.105 434 H CA -0.838 55.327 56.048 0.194 0.000 1.196 434 H CB 1.388 31.223 29.762 0.122 0.000 1.636 434 H HN 0.578 nan 8.280 nan 0.000 0.531 435 L N 5.497 126.619 121.223 -0.169 0.000 2.313 435 L HA 0.363 4.703 4.340 0.000 0.000 0.283 435 L C -0.789 175.844 176.870 -0.395 0.000 1.013 435 L CA -0.198 54.599 54.840 -0.072 0.000 0.816 435 L CB 0.790 42.951 42.059 0.170 0.000 1.236 435 L HN 0.826 nan 8.230 nan 0.000 0.419 436 H N 3.491 122.379 119.070 -0.303 0.000 2.547 436 H HA 0.364 4.920 4.556 0.000 0.000 0.362 436 H C 0.950 176.065 175.328 -0.356 0.000 1.181 436 H CA -0.027 55.951 56.048 -0.117 0.000 1.376 436 H CB 1.137 31.028 29.762 0.215 0.000 1.488 436 H HN 0.929 nan 8.280 nan 0.000 0.583 437 G N 1.155 109.656 108.800 -0.498 0.000 2.196 437 G HA2 -0.255 3.705 3.960 0.000 0.000 0.268 437 G HA3 -0.255 3.705 3.960 0.000 0.000 0.268 437 G C 0.096 174.082 174.900 -1.522 0.000 0.975 437 G CA 0.619 44.779 45.100 -1.566 0.000 0.648 437 G HN 0.800 nan 8.290 nan 0.000 0.538 438 H N -0.998 117.493 119.070 -0.964 0.000 2.960 438 H HA 0.430 4.986 4.556 0.000 0.000 0.323 438 H C -1.542 173.284 175.328 -0.837 0.000 1.326 438 H CA -0.755 54.658 56.048 -1.057 0.000 1.124 438 H CB 1.488 30.761 29.762 -0.815 0.000 1.853 438 H HN 0.146 nan 8.280 nan 0.000 0.536 439 D N 1.454 121.570 120.400 -0.474 0.000 2.375 439 D HA 0.248 4.889 4.640 0.000 0.000 0.247 439 D C -0.387 175.817 176.300 -0.161 0.000 1.061 439 D CA -0.299 53.531 54.000 -0.283 0.000 0.834 439 D CB 1.479 42.265 40.800 -0.023 0.000 1.247 439 D HN 0.181 nan 8.370 nan 0.000 0.489 440 F N 0.174 120.141 119.950 0.028 0.000 2.457 440 F HA 0.595 5.122 4.527 0.000 0.000 0.330 440 F C -0.410 175.456 175.800 0.110 0.000 1.069 440 F CA -1.354 56.697 58.000 0.084 0.000 1.009 440 F CB 0.400 39.432 39.000 0.054 0.000 1.276 440 F HN 0.024 nan 8.300 nan 0.000 0.492 441 L N 2.227 123.706 121.223 0.426 0.000 2.275 441 L HA 0.466 4.806 4.340 0.000 0.000 0.288 441 L C -0.684 176.328 176.870 0.236 0.000 1.046 441 L CA -1.157 53.825 54.840 0.237 0.000 0.805 441 L CB 1.667 43.740 42.059 0.023 0.000 1.193 441 L HN 0.470 nan 8.230 nan 0.000 0.426 442 V N 5.598 125.649 119.914 0.228 0.000 2.322 442 V HA 0.096 4.217 4.120 0.000 0.000 0.258 442 V C 1.200 177.349 176.094 0.091 0.000 1.074 442 V CA -0.142 62.258 62.300 0.167 0.000 0.909 442 V CB 0.734 32.678 31.823 0.203 0.000 1.090 442 V HN 0.719 nan 8.190 nan 0.000 0.486 443 L N 3.444 124.702 121.223 0.058 0.000 2.179 443 L HA 0.361 4.701 4.340 0.000 0.000 0.208 443 L C 1.166 178.095 176.870 0.098 0.000 1.096 443 L CA 1.088 55.957 54.840 0.048 0.000 0.779 443 L CB -0.164 41.903 42.059 0.014 0.000 0.922 443 L HN 0.792 nan 8.230 nan 0.000 0.443 444 G N -0.053 108.828 108.800 0.135 0.000 2.325 444 G HA2 0.430 4.390 3.960 0.000 0.000 0.297 444 G HA3 0.430 4.390 3.960 0.000 0.000 0.297 444 G C -1.644 173.354 174.900 0.163 0.000 1.448 444 G CA -0.815 44.388 45.100 0.172 0.000 0.838 444 G HN 0.144 nan 8.290 nan 0.000 0.579 445 R N -1.402 119.012 120.500 -0.143 0.000 2.752 445 R HA 0.790 5.131 4.340 0.000 0.000 0.271 445 R C 0.181 175.693 176.300 -1.315 0.000 1.026 445 R CA -0.267 55.442 56.100 -0.651 0.000 0.901 445 R CB 0.974 31.068 30.300 -0.342 0.000 1.243 445 R HN 1.222 nan 8.270 nan 0.000 0.463 446 S N 0.401 114.970 115.700 -1.884 0.000 2.576 446 S HA 0.209 4.679 4.470 0.000 0.000 0.272 446 S C -2.137 171.895 174.600 -0.947 0.000 1.352 446 S CA -0.844 56.417 58.200 -1.565 0.000 1.021 446 S CB 0.033 62.365 63.200 -1.446 0.000 0.887 446 S HN 0.480 nan 8.310 nan 0.000 0.542 447 P HA 0.054 nan 4.420 nan 0.000 0.261 447 P C -0.766 176.273 177.300 -0.434 0.000 1.173 447 P CA 0.320 63.070 63.100 -0.583 0.000 0.760 447 P CB 0.079 31.459 31.700 -0.533 0.000 0.783 448 D N 2.337 122.585 120.400 -0.253 0.000 2.412 448 D HA 0.134 4.774 4.640 0.000 0.000 0.257 448 D C 0.436 176.676 176.300 -0.100 0.000 1.217 448 D CA 0.468 54.365 54.000 -0.170 0.000 0.897 448 D CB 0.114 40.838 40.800 -0.128 0.000 1.132 448 D HN 0.046 nan 8.370 nan 0.000 0.493 449 V N 0.562 120.439 119.914 -0.062 0.000 3.158 449 V HA 0.686 4.807 4.120 0.000 0.000 0.311 449 V C -2.749 173.339 176.094 -0.009 0.000 1.181 449 V CA -2.633 59.673 62.300 0.009 0.000 1.054 449 V CB 1.524 33.418 31.823 0.118 0.000 1.085 449 V HN 0.128 nan 8.190 nan 0.000 0.446 450 P HA 0.303 nan 4.420 nan 0.000 0.267 450 P C 0.743 178.041 177.300 -0.004 0.000 1.209 450 P CA 0.538 63.635 63.100 -0.004 0.000 0.763 450 P CB 1.105 32.811 31.700 0.010 0.000 0.816 451 A N 4.546 127.349 122.820 -0.029 0.000 1.986 451 A HA -0.204 4.116 4.320 0.000 0.000 0.220 451 A C 1.899 179.473 177.584 -0.016 0.000 1.171 451 A CA 2.174 54.186 52.037 -0.041 0.000 0.640 451 A CB -1.219 17.740 19.000 -0.068 0.000 0.811 451 A HN 0.542 nan 8.150 nan 0.000 0.451 452 A N -1.222 121.606 122.820 0.014 0.000 2.275 452 A HA 0.323 4.643 4.320 0.000 0.000 0.212 452 A C 2.054 179.671 177.584 0.055 0.000 1.201 452 A CA 0.977 53.041 52.037 0.045 0.000 0.843 452 A CB -0.410 18.628 19.000 0.062 0.000 0.873 452 A HN 0.374 nan 8.150 nan 0.000 0.492 453 S N -0.353 115.371 115.700 0.040 0.000 2.370 453 S HA -0.164 4.306 4.470 0.000 0.000 0.226 453 S C 0.899 175.529 174.600 0.049 0.000 1.033 453 S CA 1.405 59.631 58.200 0.043 0.000 1.011 453 S CB -0.158 63.068 63.200 0.043 0.000 0.852 453 S HN 0.609 nan 8.310 nan 0.000 0.457 454 Q N -0.555 119.275 119.800 0.051 0.000 2.464 454 Q HA -0.139 4.201 4.340 0.000 0.000 0.246 454 Q C -0.677 175.342 176.000 0.031 0.000 0.763 454 Q CA 0.575 56.412 55.803 0.057 0.000 1.233 454 Q CB -1.955 26.837 28.738 0.089 0.000 1.361 454 Q HN 0.695 nan 8.270 nan 0.000 0.699 455 Q N 1.006 120.820 119.800 0.023 0.000 2.304 455 Q HA 0.338 4.678 4.340 0.000 0.000 0.260 455 Q C 0.367 176.333 176.000 -0.056 0.000 0.965 455 Q CA -0.074 55.701 55.803 -0.048 0.000 0.898 455 Q CB 0.950 29.670 28.738 -0.030 0.000 1.196 455 Q HN 0.019 nan 8.270 nan 0.000 0.402 456 R N 1.768 122.158 120.500 -0.184 0.000 2.782 456 R HA 0.649 4.989 4.340 0.000 0.000 0.258 456 R C -0.676 175.404 176.300 -0.367 0.000 1.055 456 R CA -0.562 55.485 56.100 -0.089 0.000 1.065 456 R CB 0.700 30.994 30.300 -0.011 0.000 1.172 456 R HN 0.492 nan 8.270 nan 0.000 0.510 457 F N -1.209 118.825 119.950 0.141 0.000 2.641 457 F HA 0.408 4.935 4.527 0.001 0.000 0.308 457 F C -0.662 175.357 175.800 0.365 0.000 1.105 457 F CA -0.883 57.254 58.000 0.228 0.000 0.964 457 F CB 2.079 41.215 39.000 0.226 0.000 1.294 457 F HN -0.022 nan 8.300 nan 0.000 0.442 458 V N 2.452 122.677 119.914 0.518 0.000 2.709 458 V HA 0.319 4.439 4.120 0.000 0.000 0.308 458 V C -0.655 175.581 176.094 0.238 0.000 1.062 458 V CA -1.094 61.428 62.300 0.370 0.000 0.901 458 V CB 2.166 34.111 31.823 0.204 0.000 1.003 458 V HN 0.616 nan 8.190 nan 0.000 0.425 459 F N 4.487 124.284 119.950 -0.255 0.000 2.612 459 F HA 0.128 4.656 4.527 0.000 0.000 0.389 459 F C 0.459 176.139 175.800 -0.199 0.000 1.055 459 F CA 0.841 58.498 58.000 -0.572 0.000 1.232 459 F CB 0.247 38.798 39.000 -0.748 0.000 1.044 459 F HN 0.621 nan 8.300 nan 0.000 0.560 460 D N 8.420 128.434 120.400 -0.643 0.000 2.575 460 D HA 0.242 4.882 4.640 0.000 0.000 0.250 460 D C -2.329 173.650 176.300 -0.535 0.000 1.279 460 D CA -1.822 51.958 54.000 -0.367 0.000 0.925 460 D CB 2.352 43.066 40.800 -0.142 0.000 1.261 460 D HN 0.175 nan 8.370 nan 0.000 0.567 461 P HA -0.154 nan 4.420 nan 0.000 0.216 461 P C 1.252 178.460 177.300 -0.153 0.000 1.153 461 P CA 1.698 64.674 63.100 -0.206 0.000 0.858 461 P CB 0.215 31.883 31.700 -0.053 0.000 0.789 462 A N -0.871 121.880 122.820 -0.114 0.000 2.032 462 A HA -0.184 4.136 4.320 0.000 0.000 0.221 462 A C 2.081 179.625 177.584 -0.066 0.000 1.165 462 A CA 2.628 54.623 52.037 -0.070 0.000 0.645 462 A CB -1.431 17.539 19.000 -0.050 0.000 0.807 462 A HN 0.272 nan 8.150 nan 0.000 0.453 463 V N -5.303 114.552 119.914 -0.099 0.000 3.431 463 V HA 0.154 4.274 4.120 0.000 0.000 0.255 463 V C 1.227 177.276 176.094 -0.077 0.000 1.403 463 V CA 0.885 63.149 62.300 -0.060 0.000 1.101 463 V CB -0.129 31.684 31.823 -0.017 0.000 0.891 463 V HN 0.235 nan 8.190 nan 0.000 0.446 464 D N 1.041 121.315 120.400 -0.210 0.000 2.249 464 D HA 0.131 4.772 4.640 0.000 0.000 0.205 464 D C 2.156 178.405 176.300 -0.084 0.000 0.962 464 D CA 0.989 54.861 54.000 -0.213 0.000 0.860 464 D CB 0.311 40.705 40.800 -0.677 0.000 0.955 464 D HN 0.395 nan 8.370 nan 0.000 0.505 465 L N 1.002 122.176 121.223 -0.082 0.000 2.127 465 L HA -0.160 4.180 4.340 0.000 0.000 0.211 465 L C 2.354 179.263 176.870 0.066 0.000 1.089 465 L CA 1.004 55.890 54.840 0.076 0.000 0.757 465 L CB -0.298 41.796 42.059 0.058 0.000 0.899 465 L HN -0.014 nan 8.230 nan 0.000 0.434 466 A N -0.453 122.385 122.820 0.029 0.000 2.167 466 A HA -0.081 4.239 4.320 0.000 0.000 0.214 466 A C 2.201 179.814 177.584 0.048 0.000 1.151 466 A CA 0.680 52.736 52.037 0.032 0.000 0.735 466 A CB -0.278 18.730 19.000 0.014 0.000 0.802 466 A HN 0.331 nan 8.150 nan 0.000 0.467 467 R N -0.780 119.764 120.500 0.074 0.000 2.300 467 R HA 0.280 4.621 4.340 0.000 0.000 0.199 467 R C -0.185 176.190 176.300 0.125 0.000 0.920 467 R CA -0.143 56.014 56.100 0.095 0.000 1.046 467 R CB -0.058 30.316 30.300 0.123 0.000 0.984 467 R HN 0.401 nan 8.270 nan 0.000 0.493 468 L N 0.952 122.260 121.223 0.142 0.000 2.418 468 L HA 0.207 4.547 4.340 0.000 0.000 0.265 468 L C -0.120 176.795 176.870 0.076 0.000 1.143 468 L CA -0.489 54.432 54.840 0.135 0.000 0.809 468 L CB 0.507 42.654 42.059 0.146 0.000 1.124 468 L HN -0.019 nan 8.230 nan 0.000 0.456 469 N N 0.178 118.912 118.700 0.057 0.000 2.430 469 N HA 0.403 5.143 4.740 0.000 0.000 0.290 469 N C -0.025 175.487 175.510 0.003 0.000 1.063 469 N CA -0.376 52.691 53.050 0.029 0.000 0.883 469 N CB 1.984 40.489 38.487 0.030 0.000 1.465 469 N HN 0.609 nan 8.380 nan 0.000 0.493 470 G N 1.323 110.112 108.800 -0.018 0.000 3.324 470 G HA2 0.028 3.989 3.960 0.000 0.000 0.251 470 G HA3 0.028 3.989 3.960 0.000 0.000 0.251 470 G C -0.254 174.607 174.900 -0.065 0.000 1.072 470 G CA -0.241 44.819 45.100 -0.066 0.000 0.787 470 G HN 0.583 nan 8.290 nan 0.000 0.537 471 D N 1.200 121.583 120.400 -0.028 0.000 2.494 471 D HA 0.134 4.775 4.640 0.000 0.000 0.217 471 D C 0.696 176.993 176.300 -0.006 0.000 1.153 471 D CA -0.524 53.467 54.000 -0.016 0.000 0.954 471 D CB -0.367 40.433 40.800 -0.001 0.000 1.034 471 D HN 0.078 nan 8.370 nan 0.000 0.518 472 N N 2.642 121.334 118.700 -0.013 0.000 2.667 472 N HA -0.137 4.603 4.740 0.000 0.000 0.263 472 N C -2.492 173.030 175.510 0.020 0.000 1.038 472 N CA 0.336 53.391 53.050 0.008 0.000 0.749 472 N CB -0.240 38.263 38.487 0.025 0.000 0.892 472 N HN 0.289 nan 8.380 nan 0.000 0.546 473 P HA 0.275 nan 4.420 nan 0.000 0.277 473 P C -2.706 174.631 177.300 0.062 0.000 1.271 473 P CA -1.082 62.039 63.100 0.035 0.000 0.795 473 P CB 0.090 31.805 31.700 0.025 0.000 1.101 474 P HA 0.090 nan 4.420 nan 0.000 0.264 474 P C -0.226 177.145 177.300 0.119 0.000 1.193 474 P CA 0.604 63.765 63.100 0.102 0.000 0.763 474 P CB 0.485 32.256 31.700 0.120 0.000 0.810 475 R N 3.868 124.425 120.500 0.096 0.000 2.437 475 R HA 0.525 4.865 4.340 0.000 0.000 0.310 475 R C 0.268 176.571 176.300 0.005 0.000 0.955 475 R CA -0.631 55.519 56.100 0.083 0.000 0.851 475 R CB 1.234 31.592 30.300 0.097 0.000 1.161 475 R HN 0.671 nan 8.270 nan 0.000 0.446 476 R N 1.068 121.492 120.500 -0.126 0.000 2.921 476 R HA 0.157 4.497 4.340 0.000 0.000 0.268 476 R C -1.052 174.866 176.300 -0.637 0.000 1.008 476 R CA -0.507 55.452 56.100 -0.235 0.000 0.876 476 R CB 0.089 30.317 30.300 -0.121 0.000 1.395 476 R HN 0.562 nan 8.270 nan 0.000 0.443 477 D N -0.884 119.270 120.400 -0.411 0.000 2.398 477 D HA 0.181 4.821 4.640 0.000 0.000 0.210 477 D C -0.621 175.675 176.300 -0.006 0.000 1.094 477 D CA 0.058 53.810 54.000 -0.413 0.000 0.839 477 D CB 0.892 41.722 40.800 0.052 0.000 0.963 477 D HN 0.447 nan 8.370 nan 0.000 0.506 478 T N -0.796 113.830 114.554 0.120 0.000 2.993 478 T HA 0.571 4.921 4.350 0.000 0.000 0.312 478 T C -1.218 173.736 174.700 0.424 0.000 1.115 478 T CA -0.685 61.685 62.100 0.449 0.000 1.027 478 T CB 2.181 71.220 68.868 0.285 0.000 1.116 478 T HN -0.039 nan 8.240 nan 0.000 0.464 479 T N 2.319 117.173 114.554 0.500 0.000 2.821 479 T HA 0.575 4.926 4.350 0.000 0.000 0.306 479 T C -1.202 173.655 174.700 0.262 0.000 1.313 479 T CA -0.799 61.513 62.100 0.353 0.000 1.012 479 T CB 1.033 70.132 68.868 0.385 0.000 1.298 479 T HN 0.375 nan 8.240 nan 0.000 0.502 480 M N 2.904 122.635 119.600 0.219 0.000 2.211 480 M HA 0.417 4.898 4.480 0.000 0.000 0.356 480 M C -0.457 175.902 176.300 0.097 0.000 1.216 480 M CA -0.780 54.625 55.300 0.174 0.000 1.134 480 M CB 0.603 33.301 32.600 0.162 0.000 1.564 480 M HN 0.523 nan 8.290 nan 0.000 0.463 481 L N 6.632 127.911 121.223 0.093 0.000 2.264 481 L HA 0.511 4.851 4.340 0.000 0.000 0.287 481 L C -2.418 174.466 176.870 0.024 0.000 1.039 481 L CA -1.501 53.381 54.840 0.070 0.000 0.829 481 L CB 0.994 43.123 42.059 0.117 0.000 1.211 481 L HN 0.370 nan 8.230 nan 0.000 0.427 482 P HA 0.074 nan 4.420 nan 0.000 0.265 482 P C -0.734 176.546 177.300 -0.033 0.000 1.187 482 P CA 0.042 63.093 63.100 -0.081 0.000 0.766 482 P CB 0.472 32.070 31.700 -0.170 0.000 0.820 483 A N 3.578 126.365 122.820 -0.055 0.000 2.511 483 A HA 0.404 4.724 4.320 0.000 0.000 0.242 483 A C 1.673 179.275 177.584 0.031 0.000 1.069 483 A CA 0.587 52.596 52.037 -0.046 0.000 0.763 483 A CB -1.273 17.665 19.000 -0.103 0.000 1.001 483 A HN 0.884 nan 8.150 nan 0.000 0.498 484 G N 1.295 110.134 108.800 0.066 0.000 2.186 484 G HA2 -0.085 3.875 3.960 0.000 0.000 0.266 484 G HA3 -0.085 3.875 3.960 0.000 0.000 0.266 484 G C 0.942 175.966 174.900 0.207 0.000 0.982 484 G CA 1.348 46.522 45.100 0.123 0.000 0.670 484 G HN 1.820 nan 8.290 nan 0.000 0.533 485 G N -0.857 108.047 108.800 0.173 0.000 3.194 485 G HA2 0.730 4.690 3.960 0.000 0.000 0.160 485 G HA3 0.730 4.690 3.960 0.000 0.000 0.160 485 G C 0.046 175.087 174.900 0.236 0.000 1.267 485 G CA -0.194 45.007 45.100 0.168 0.000 0.962 485 G HN 1.073 nan 8.290 nan 0.000 0.612 486 W N -2.234 119.151 121.300 0.142 0.000 3.025 486 W HA 0.731 5.391 4.660 0.000 0.000 0.343 486 W C -2.569 174.014 176.519 0.106 0.000 1.246 486 W CA -1.097 56.335 57.345 0.145 0.000 1.178 486 W CB 1.246 30.830 29.460 0.206 0.000 1.463 486 W HN 0.562 nan 8.180 nan 0.000 0.578 487 L N 2.986 124.501 121.223 0.486 0.000 2.470 487 L HA 0.613 4.953 4.340 0.000 0.000 0.268 487 L C -1.853 175.220 176.870 0.339 0.000 0.964 487 L CA -0.691 54.338 54.840 0.315 0.000 0.839 487 L CB 1.896 44.044 42.059 0.149 0.000 1.276 487 L HN 0.410 nan 8.230 nan 0.000 0.403 488 L N 5.807 127.206 121.223 0.293 0.000 2.280 488 L HA 0.690 5.030 4.340 0.000 0.000 0.287 488 L C -1.482 175.390 176.870 0.005 0.000 1.023 488 L CA -0.005 54.871 54.840 0.060 0.000 0.819 488 L CB 0.994 43.016 42.059 -0.061 0.000 1.212 488 L HN 0.601 nan 8.230 nan 0.000 0.420 489 L N 4.472 125.685 121.223 -0.017 0.000 2.303 489 L HA 0.995 5.335 4.340 0.000 0.000 0.266 489 L C -0.380 176.485 176.870 -0.008 0.000 1.011 489 L CA -0.915 53.904 54.840 -0.034 0.000 0.818 489 L CB 1.913 43.870 42.059 -0.169 0.000 1.326 489 L HN 0.726 nan 8.230 nan 0.000 0.435 490 A N 1.700 124.534 122.820 0.024 0.000 2.486 490 A HA 0.867 5.187 4.320 0.000 0.000 0.300 490 A C -1.414 176.336 177.584 0.277 0.000 1.048 490 A CA -0.366 51.630 52.037 -0.069 0.000 0.696 490 A CB 1.617 20.353 19.000 -0.441 0.000 1.278 490 A HN 0.619 nan 8.150 nan 0.000 0.405 491 F N -0.226 119.782 119.950 0.097 0.000 2.615 491 F HA 0.757 5.284 4.527 0.000 0.000 0.312 491 F C -0.727 174.912 175.800 -0.269 0.000 1.119 491 F CA -0.825 57.159 58.000 -0.027 0.000 0.979 491 F CB 1.409 40.211 39.000 -0.330 0.000 1.266 491 F HN 0.654 nan 8.300 nan 0.000 0.444 492 R N 1.720 121.911 120.500 -0.515 0.000 2.340 492 R HA 0.371 4.711 4.340 0.000 0.000 0.300 492 R C -0.062 176.017 176.300 -0.369 0.000 1.069 492 R CA -0.017 55.598 56.100 -0.808 0.000 0.984 492 R CB 1.151 30.649 30.300 -1.337 0.000 1.003 492 R HN 0.897 nan 8.270 nan 0.000 0.459 493 T N 0.864 115.237 114.554 -0.302 0.000 4.219 493 T HA 0.059 4.409 4.350 0.000 0.000 0.263 493 T C -0.036 174.675 174.700 0.019 0.000 1.217 493 T CA -0.640 61.429 62.100 -0.052 0.000 1.145 493 T CB -0.219 68.613 68.868 -0.059 0.000 1.298 493 T HN 0.634 nan 8.240 nan 0.000 0.999 494 D N 0.180 120.630 120.400 0.083 0.000 2.424 494 D HA 0.131 4.772 4.640 0.000 0.000 0.220 494 D C 0.118 176.454 176.300 0.060 0.000 1.150 494 D CA -0.594 53.423 54.000 0.028 0.000 0.831 494 D CB 0.097 40.871 40.800 -0.043 0.000 0.981 494 D HN 0.405 nan 8.370 nan 0.000 0.500 495 N N 0.844 119.625 118.700 0.136 0.000 2.685 495 N HA 0.257 4.997 4.740 0.000 0.000 0.252 495 N C -3.029 172.704 175.510 0.371 0.000 1.261 495 N CA -1.555 51.566 53.050 0.120 0.000 0.768 495 N CB 1.431 39.766 38.487 -0.254 0.000 1.304 495 N HN -0.190 nan 8.380 nan 0.000 0.536 496 P HA 0.320 nan 4.420 nan 0.000 0.264 496 P C 0.119 177.568 177.300 0.248 0.000 1.183 496 P CA 0.545 63.796 63.100 0.252 0.000 0.763 496 P CB 0.664 32.446 31.700 0.135 0.000 0.807 497 G N 0.984 109.821 108.800 0.061 0.000 2.361 497 G HA2 0.418 4.378 3.960 0.000 0.000 0.305 497 G HA3 0.418 4.378 3.960 0.000 0.000 0.305 497 G C -1.759 172.706 174.900 -0.724 0.000 1.367 497 G CA -0.211 44.635 45.100 -0.423 0.000 0.951 497 G HN 0.448 nan 8.290 nan 0.000 0.615 498 A N -0.376 121.940 122.820 -0.841 0.000 2.252 498 A HA 0.723 5.043 4.320 0.000 0.000 0.309 498 A C -0.903 176.243 177.584 -0.730 0.000 1.285 498 A CA -0.249 51.442 52.037 -0.576 0.000 0.900 498 A CB 0.002 18.777 19.000 -0.375 0.000 1.157 498 A HN 0.872 nan 8.150 nan 0.000 0.536 499 W N 2.919 124.231 121.300 0.020 0.000 2.600 499 W HA 0.532 5.192 4.660 0.000 0.000 0.325 499 W C -0.321 176.169 176.519 -0.048 0.000 1.034 499 W CA -0.663 56.690 57.345 0.013 0.000 1.226 499 W CB 1.298 30.793 29.460 0.057 0.000 1.379 499 W HN 0.439 nan 8.180 nan 0.000 0.466 500 L N 3.382 124.577 121.223 -0.047 0.000 2.417 500 L HA 0.355 4.695 4.340 0.000 0.000 0.268 500 L C -0.535 176.316 176.870 -0.032 0.000 1.158 500 L CA -0.396 54.317 54.840 -0.211 0.000 0.819 500 L CB 0.449 42.183 42.059 -0.541 0.000 1.112 500 L HN 0.343 nan 8.230 nan 0.000 0.458 501 F N 3.562 123.429 119.950 -0.139 0.000 2.577 501 F HA 0.444 4.971 4.527 0.001 0.000 0.344 501 F C -0.361 175.401 175.800 -0.064 0.000 1.145 501 F CA -0.565 57.372 58.000 -0.105 0.000 0.996 501 F CB 0.539 39.511 39.000 -0.046 0.000 1.248 501 F HN 0.557 nan 8.300 nan 0.000 0.447 502 H N 2.144 120.970 119.070 -0.406 0.000 2.990 502 H HA 0.518 5.074 4.556 0.000 0.000 0.343 502 H C -1.238 173.939 175.328 -0.251 0.000 1.270 502 H CA -1.435 54.404 56.048 -0.349 0.000 1.118 502 H CB 0.880 30.536 29.762 -0.176 0.000 1.861 502 H HN 0.650 nan 8.280 nan 0.000 0.544 503 C N 1.756 121.025 119.300 -0.051 0.000 2.601 503 C HA 0.152 4.612 4.460 0.000 0.000 0.409 503 C C 1.192 176.325 174.990 0.240 0.000 1.293 503 C CA -0.159 58.873 59.018 0.023 0.000 2.101 503 C CB -0.620 27.109 27.740 -0.019 0.000 2.639 503 C HN 1.015 nan 8.230 nan 0.000 0.592 504 H N 3.693 122.850 119.070 0.145 0.000 2.524 504 H HA 0.314 4.870 4.556 0.000 0.000 0.280 504 H C 0.335 175.674 175.328 0.018 0.000 1.018 504 H CA 0.321 56.474 56.048 0.175 0.000 1.165 504 H CB 0.001 29.849 29.762 0.143 0.000 1.411 504 H HN 0.643 nan 8.280 nan 0.000 0.569 505 I N 1.349 121.940 120.570 0.035 0.000 2.322 505 I HA 0.010 4.180 4.170 0.000 0.000 0.292 505 I C 1.616 177.537 176.117 -0.326 0.000 1.060 505 I CA -0.283 60.863 61.300 -0.257 0.000 1.309 505 I CB 1.248 38.936 38.000 -0.520 0.000 1.415 505 I HN 0.134 nan 8.210 nan 0.000 0.492 506 A N 7.390 129.919 122.820 -0.485 0.000 1.915 506 A HA -0.218 4.102 4.320 0.000 0.000 0.220 506 A C 1.898 179.426 177.584 -0.093 0.000 1.198 506 A CA 1.878 53.659 52.037 -0.426 0.000 0.647 506 A CB -0.794 17.715 19.000 -0.817 0.000 0.825 506 A HN 0.917 nan 8.150 nan 0.000 0.456 507 W N -1.299 119.959 121.300 -0.071 0.000 2.338 507 W HA -0.199 4.461 4.660 -0.000 0.000 0.304 507 W C 2.387 179.009 176.519 0.172 0.000 1.212 507 W CA 0.863 58.230 57.345 0.036 0.000 1.264 507 W CB -0.589 28.894 29.460 0.038 0.000 1.142 507 W HN 0.565 nan 8.180 nan 0.000 0.512 508 H N -0.691 118.474 119.070 0.158 0.000 2.299 508 H HA -0.162 4.394 4.556 -0.000 0.000 0.302 508 H C 2.423 177.721 175.328 -0.051 0.000 1.078 508 H CA 1.261 57.251 56.048 -0.096 0.000 1.323 508 H CB -0.556 28.966 29.762 -0.399 0.000 1.381 508 H HN -0.019 nan 8.280 nan 0.000 0.498 509 V N 0.217 120.179 119.914 0.081 0.000 2.490 509 V HA -0.252 3.868 4.120 0.000 0.000 0.250 509 V C 2.505 178.622 176.094 0.037 0.000 1.061 509 V CA 2.059 64.362 62.300 0.005 0.000 1.064 509 V CB -0.270 31.492 31.823 -0.101 0.000 0.670 509 V HN 0.360 nan 8.190 nan 0.000 0.461 510 S N 0.337 116.098 115.700 0.102 0.000 2.383 510 S HA -0.100 4.370 4.470 0.000 0.000 0.229 510 S C 1.785 176.470 174.600 0.142 0.000 1.030 510 S CA 1.622 59.895 58.200 0.123 0.000 1.002 510 S CB -0.706 62.619 63.200 0.208 0.000 0.829 510 S HN 0.790 nan 8.310 nan 0.000 0.467 511 G N -1.080 107.866 108.800 0.243 0.000 3.124 511 G HA2 0.406 4.367 3.960 0.000 0.000 0.212 511 G HA3 0.406 4.367 3.960 0.000 0.000 0.212 511 G C 0.949 175.990 174.900 0.236 0.000 1.181 511 G CA 0.298 45.572 45.100 0.290 0.000 0.803 511 G HN 1.156 nan 8.290 nan 0.000 0.529 512 G N -0.495 108.385 108.800 0.134 0.000 2.179 512 G HA2 -0.243 3.717 3.960 0.000 0.000 0.220 512 G HA3 -0.243 3.717 3.960 0.000 0.000 0.220 512 G C 0.449 175.386 174.900 0.062 0.000 0.990 512 G CA 0.016 45.162 45.100 0.075 0.000 0.646 512 G HN 0.534 nan 8.290 nan 0.000 0.517 513 L N 2.159 123.422 121.223 0.066 0.000 2.448 513 L HA 0.577 4.917 4.340 0.000 0.000 0.278 513 L C 0.407 177.227 176.870 -0.084 0.000 1.201 513 L CA 0.701 55.517 54.840 -0.040 0.000 1.036 513 L CB 0.159 42.077 42.059 -0.235 0.000 1.325 513 L HN 0.376 nan 8.230 nan 0.000 0.441 514 S N 2.545 118.194 115.700 -0.084 0.000 2.622 514 S HA 0.565 5.035 4.470 0.000 0.000 0.275 514 S C -1.071 173.453 174.600 -0.127 0.000 1.112 514 S CA -0.312 57.827 58.200 -0.103 0.000 0.837 514 S CB 1.340 64.493 63.200 -0.078 0.000 1.082 514 S HN 0.350 nan 8.310 nan 0.000 0.456 515 V N 0.396 120.213 119.914 -0.160 0.000 3.126 515 V HA 0.857 4.977 4.120 0.000 0.000 0.314 515 V C -1.395 174.538 176.094 -0.268 0.000 1.138 515 V CA -0.687 61.469 62.300 -0.239 0.000 1.034 515 V CB 2.014 33.619 31.823 -0.363 0.000 1.075 515 V HN 0.880 nan 8.190 nan 0.000 0.442 516 D N 1.082 121.297 120.400 -0.309 0.000 2.462 516 D HA 0.387 5.027 4.640 0.000 0.000 0.245 516 D C -1.283 174.874 176.300 -0.238 0.000 1.122 516 D CA -0.405 53.450 54.000 -0.242 0.000 0.864 516 D CB 1.004 41.667 40.800 -0.228 0.000 1.098 516 D HN 0.411 nan 8.370 nan 0.000 0.541 517 F N 3.487 123.390 119.950 -0.078 0.000 2.462 517 F HA 0.174 4.701 4.527 0.000 0.000 0.360 517 F C 0.602 176.395 175.800 -0.012 0.000 1.134 517 F CA -0.592 57.382 58.000 -0.043 0.000 1.148 517 F CB 0.607 39.615 39.000 0.015 0.000 1.147 517 F HN 0.272 nan 8.300 nan 0.000 0.550 518 L N 5.109 126.400 121.223 0.113 0.000 2.328 518 L HA 0.235 4.575 4.340 0.000 0.000 0.280 518 L C 0.152 177.096 176.870 0.124 0.000 1.111 518 L CA -0.067 54.774 54.840 0.002 0.000 0.909 518 L CB -0.005 41.959 42.059 -0.159 0.000 1.277 518 L HN 0.503 nan 8.230 nan 0.000 0.433 519 E N 4.594 124.913 120.200 0.198 0.000 2.194 519 E HA 0.236 4.586 4.350 0.000 0.000 0.284 519 E C -0.147 176.555 176.600 0.170 0.000 1.035 519 E CA -0.494 56.059 56.400 0.255 0.000 0.836 519 E CB 0.299 30.271 29.700 0.452 0.000 1.070 519 E HN 0.503 nan 8.360 nan 0.000 0.401 520 R N 3.464 124.045 120.500 0.136 0.000 3.188 520 R HA -0.137 4.203 4.340 0.000 0.000 0.247 520 R C -1.839 174.509 176.300 0.079 0.000 0.918 520 R CA 0.321 56.481 56.100 0.101 0.000 0.629 520 R CB -1.033 29.329 30.300 0.103 0.000 1.087 520 R HN 0.597 nan 8.270 nan 0.000 0.462 521 P HA -0.239 nan 4.420 nan 0.000 0.221 521 P C 1.121 178.456 177.300 0.059 0.000 1.145 521 P CA 1.950 65.084 63.100 0.055 0.000 0.795 521 P CB 0.212 31.958 31.700 0.076 0.000 0.775 522 A N 0.356 123.213 122.820 0.062 0.000 1.929 522 A HA -0.144 4.176 4.320 0.000 0.000 0.216 522 A C 1.803 179.413 177.584 0.044 0.000 1.176 522 A CA 1.807 53.876 52.037 0.053 0.000 0.628 522 A CB -0.957 18.073 19.000 0.051 0.000 0.816 522 A HN 0.088 nan 8.150 nan 0.000 0.444 523 D N -0.713 119.715 120.400 0.047 0.000 2.213 523 D HA -0.017 4.623 4.640 0.000 0.000 0.205 523 D C 1.721 178.044 176.300 0.039 0.000 0.961 523 D CA 0.438 54.464 54.000 0.043 0.000 0.853 523 D CB -0.330 40.501 40.800 0.051 0.000 0.967 523 D HN 0.284 nan 8.370 nan 0.000 0.496 524 L N 1.246 122.490 121.223 0.036 0.000 2.021 524 L HA -0.192 4.148 4.340 0.000 0.000 0.215 524 L C 2.137 179.007 176.870 -0.000 0.000 1.074 524 L CA 1.852 56.701 54.840 0.015 0.000 0.760 524 L CB -0.352 41.700 42.059 -0.012 0.000 0.889 524 L HN -0.105 nan 8.230 nan 0.000 0.433 525 R N -0.931 119.570 120.500 0.002 0.000 2.096 525 R HA -0.168 4.172 4.340 0.000 0.000 0.235 525 R C 2.155 178.458 176.300 0.004 0.000 1.127 525 R CA 1.643 57.740 56.100 -0.005 0.000 0.968 525 R CB -0.160 30.143 30.300 0.005 0.000 0.861 525 R HN 0.617 nan 8.270 nan 0.000 0.440 526 Q N -0.499 119.310 119.800 0.015 0.000 2.437 526 Q HA -0.102 4.238 4.340 0.000 0.000 0.210 526 Q C 1.143 177.156 176.000 0.021 0.000 0.972 526 Q CA 0.942 56.756 55.803 0.019 0.000 0.903 526 Q CB 0.195 28.947 28.738 0.023 0.000 0.967 526 Q HN 0.308 nan 8.270 nan 0.000 0.486 527 R N -0.096 120.417 120.500 0.022 0.000 2.437 527 R HA 0.270 4.610 4.340 0.000 0.000 0.257 527 R C -0.051 176.267 176.300 0.029 0.000 0.927 527 R CA -0.122 55.997 56.100 0.031 0.000 1.078 527 R CB 0.720 31.047 30.300 0.044 0.000 1.161 527 R HN 0.133 nan 8.270 nan 0.000 0.529 528 I N 2.979 123.555 120.570 0.011 0.000 2.322 528 I HA 0.017 4.188 4.170 0.000 0.000 0.292 528 I C 0.885 177.011 176.117 0.015 0.000 1.060 528 I CA -0.282 61.019 61.300 0.002 0.000 1.309 528 I CB 0.993 38.966 38.000 -0.045 0.000 1.415 528 I HN 0.125 nan 8.210 nan 0.000 0.492 529 S N 5.507 121.228 115.700 0.035 0.000 2.580 529 S HA 0.004 4.475 4.470 0.000 0.000 0.261 529 S C 0.912 175.531 174.600 0.032 0.000 1.366 529 S CA -0.291 57.931 58.200 0.037 0.000 0.996 529 S CB 0.990 64.222 63.200 0.052 0.000 0.902 529 S HN 0.597 nan 8.310 nan 0.000 0.566 530 Q N 0.303 120.121 119.800 0.031 0.000 2.187 530 Q HA -0.028 4.312 4.340 0.000 0.000 0.199 530 Q C 2.083 178.106 176.000 0.038 0.000 0.957 530 Q CA 1.277 57.099 55.803 0.030 0.000 0.857 530 Q CB -0.361 28.392 28.738 0.026 0.000 0.929 530 Q HN 0.922 nan 8.270 nan 0.000 0.453 531 E N 0.408 120.633 120.200 0.042 0.000 2.047 531 E HA -0.169 4.181 4.350 0.000 0.000 0.191 531 E C 1.257 177.892 176.600 0.057 0.000 0.987 531 E CA 0.951 57.378 56.400 0.046 0.000 0.799 531 E CB 0.280 30.010 29.700 0.049 0.000 0.752 531 E HN 0.261 nan 8.360 nan 0.000 0.449 532 D N 0.301 120.742 120.400 0.068 0.000 2.117 532 D HA -0.203 4.437 4.640 0.000 0.000 0.197 532 D C 1.831 178.172 176.300 0.068 0.000 0.987 532 D CA 1.134 55.169 54.000 0.058 0.000 0.829 532 D CB -0.247 40.590 40.800 0.061 0.000 0.961 532 D HN 0.349 nan 8.370 nan 0.000 0.460 533 E N 0.699 120.931 120.200 0.053 0.000 2.051 533 E HA -0.187 4.163 4.350 0.000 0.000 0.192 533 E C 1.332 178.019 176.600 0.144 0.000 0.991 533 E CA 1.322 57.767 56.400 0.074 0.000 0.799 533 E CB 0.152 29.871 29.700 0.031 0.000 0.748 533 E HN 0.082 nan 8.360 nan 0.000 0.449 534 D N 0.562 121.017 120.400 0.092 0.000 2.097 534 D HA -0.169 4.471 4.640 0.000 0.000 0.195 534 D C 1.604 177.950 176.300 0.077 0.000 0.989 534 D CA 1.504 55.551 54.000 0.078 0.000 0.827 534 D CB -0.553 40.276 40.800 0.048 0.000 0.966 534 D HN 0.277 nan 8.370 nan 0.000 0.456 535 D N -0.872 119.567 120.400 0.064 0.000 2.263 535 D HA -0.144 4.497 4.640 0.000 0.000 0.208 535 D C 1.694 178.019 176.300 0.042 0.000 0.971 535 D CA 0.350 54.368 54.000 0.030 0.000 0.867 535 D CB -0.079 40.723 40.800 0.003 0.000 0.929 535 D HN 0.087 nan 8.370 nan 0.000 0.492 536 F N 0.652 120.575 119.950 -0.044 0.000 2.163 536 F HA -0.048 4.479 4.527 0.000 0.000 0.297 536 F C 1.920 177.715 175.800 -0.008 0.000 1.094 536 F CA 1.005 58.981 58.000 -0.039 0.000 1.290 536 F CB -0.185 38.795 39.000 -0.035 0.000 1.017 536 F HN -0.090 nan 8.300 nan 0.000 0.483 537 N N 0.658 119.421 118.700 0.104 0.000 2.244 537 N HA -0.167 4.573 4.740 0.000 0.000 0.183 537 N C 2.087 177.566 175.510 -0.051 0.000 1.016 537 N CA 0.888 53.947 53.050 0.015 0.000 0.866 537 N CB -0.502 38.047 38.487 0.104 0.000 0.980 537 N HN 0.387 nan 8.380 nan 0.000 0.430 538 R N 1.185 121.667 120.500 -0.030 0.000 2.062 538 R HA -0.044 4.297 4.340 0.000 0.000 0.231 538 R C 1.857 178.128 176.300 -0.047 0.000 1.136 538 R CA 1.183 57.267 56.100 -0.026 0.000 0.948 538 R CB -0.301 29.992 30.300 -0.013 0.000 0.845 538 R HN -0.049 nan 8.270 nan 0.000 0.430 539 V N 0.508 120.367 119.914 -0.091 0.000 2.427 539 V HA -0.282 3.838 4.120 0.000 0.000 0.248 539 V C 2.593 178.649 176.094 -0.063 0.000 1.051 539 V CA 1.572 63.822 62.300 -0.084 0.000 1.048 539 V CB -0.506 31.237 31.823 -0.134 0.000 0.666 539 V HN 0.514 nan 8.190 nan 0.000 0.456 540 c N -0.070 118.418 118.600 -0.186 0.000 2.425 540 c HA -0.140 4.430 4.570 0.000 0.000 0.277 540 c C 2.541 176.655 174.090 0.041 0.000 1.280 540 c CA 0.846 57.102 56.329 -0.121 0.000 1.744 540 c CB -0.976 41.336 42.510 -0.331 0.000 1.989 540 c HN 0.598 nan 8.230 nan 0.000 0.491 541 D N 0.502 120.906 120.400 0.008 0.000 2.097 541 D HA -0.115 4.525 4.640 0.000 0.000 0.195 541 D C 2.094 178.437 176.300 0.073 0.000 0.989 541 D CA 1.214 55.238 54.000 0.040 0.000 0.827 541 D CB -0.457 40.355 40.800 0.020 0.000 0.966 541 D HN 0.600 nan 8.370 nan 0.000 0.456 542 E N -0.114 120.134 120.200 0.079 0.000 2.110 542 E HA -0.149 4.201 4.350 0.000 0.000 0.193 542 E C 1.962 178.668 176.600 0.177 0.000 0.988 542 E CA 0.470 56.931 56.400 0.101 0.000 0.804 542 E CB -0.072 29.674 29.700 0.077 0.000 0.745 542 E HN 0.446 nan 8.360 nan 0.000 0.458 543 W N 1.661 122.991 121.300 0.050 0.000 2.407 543 W HA -0.104 4.556 4.660 0.000 0.000 0.305 543 W C 1.738 178.379 176.519 0.203 0.000 1.196 543 W CA 0.980 58.399 57.345 0.124 0.000 1.311 543 W CB -0.086 29.394 29.460 0.034 0.000 1.135 543 W HN -0.054 nan 8.180 nan 0.000 0.514 544 R N 0.281 120.845 120.500 0.107 0.000 2.152 544 R HA -0.132 4.208 4.340 0.000 0.000 0.232 544 R C 2.377 178.672 176.300 -0.009 0.000 1.117 544 R CA 1.473 57.597 56.100 0.040 0.000 0.981 544 R CB -0.507 29.855 30.300 0.103 0.000 0.870 544 R HN 0.151 nan 8.270 nan 0.000 0.451 545 A N -0.154 122.668 122.820 0.003 0.000 1.935 545 A HA -0.143 4.177 4.320 0.000 0.000 0.214 545 A C 1.845 179.395 177.584 -0.055 0.000 1.178 545 A CA 0.616 52.647 52.037 -0.010 0.000 0.640 545 A CB -0.415 18.597 19.000 0.021 0.000 0.825 545 A HN 0.413 nan 8.150 nan 0.000 0.447 546 Y N -1.047 119.154 120.300 -0.166 0.000 2.184 546 Y HA -0.193 4.357 4.550 0.000 0.000 0.290 546 Y C 2.246 177.976 175.900 -0.282 0.000 1.129 546 Y CA 1.433 59.401 58.100 -0.219 0.000 1.144 546 Y CB -0.633 37.685 38.460 -0.236 0.000 0.995 546 Y HN 0.505 nan 8.280 nan 0.000 0.513 547 W N 2.198 122.945 121.300 -0.922 0.000 2.277 547 W HA -0.281 4.379 4.660 0.000 0.000 0.327 547 W C -0.896 175.281 176.519 -0.570 0.000 1.284 547 W CA 2.266 59.100 57.345 -0.851 0.000 1.277 547 W CB -1.528 27.564 29.460 -0.612 0.000 1.141 547 W HN 0.187 nan 8.180 nan 0.000 0.482 548 P HA -0.176 nan 4.420 nan 0.000 0.220 548 P C 1.515 178.494 177.300 -0.535 0.000 1.144 548 P CA 3.075 65.894 63.100 -0.468 0.000 0.800 548 P CB -0.546 31.015 31.700 -0.232 0.000 0.772 549 T N -5.995 108.182 114.554 -0.629 0.000 3.100 549 T HA 0.056 4.406 4.350 0.000 0.000 0.253 549 T C 0.789 175.111 174.700 -0.630 0.000 1.118 549 T CA -0.250 61.524 62.100 -0.544 0.000 1.058 549 T CB -0.951 67.653 68.868 -0.439 0.000 0.953 549 T HN -0.082 nan 8.240 nan 0.000 0.515 550 N N 3.301 121.477 118.700 -0.874 0.000 2.475 550 N HA 0.209 4.949 4.740 0.000 0.000 0.267 550 N C -1.078 174.117 175.510 -0.525 0.000 1.169 550 N CA -1.733 50.912 53.050 -0.674 0.000 0.947 550 N CB 1.267 39.299 38.487 -0.759 0.000 1.061 550 N HN 0.083 nan 8.380 nan 0.000 0.466 551 P HA -0.030 nan 4.420 nan 0.000 0.240 551 P C -0.698 176.425 177.300 -0.296 0.000 1.190 551 P CA 0.818 63.663 63.100 -0.425 0.000 0.781 551 P CB 0.215 31.590 31.700 -0.542 0.000 0.931 552 Y N 1.219 121.493 120.300 -0.044 0.000 2.487 552 Y HA 0.523 5.073 4.550 0.001 0.000 0.337 552 Y C -1.901 174.036 175.900 0.063 0.000 1.076 552 Y CA -2.956 55.172 58.100 0.047 0.000 1.115 552 Y CB 1.547 40.096 38.460 0.149 0.000 1.235 552 Y HN -0.134 nan 8.280 nan 0.000 0.468 553 P HA 0.228 nan 4.420 nan 0.000 0.287 553 P C -1.730 175.852 177.300 0.470 0.000 1.292 553 P CA -1.041 62.255 63.100 0.327 0.000 0.879 553 P CB 1.986 33.810 31.700 0.206 0.000 1.214 554 K N 1.736 122.450 120.400 0.523 0.000 2.267 554 K HA 0.263 4.583 4.320 0.000 0.000 0.282 554 K C 1.061 177.752 176.600 0.153 0.000 1.078 554 K CA -0.412 56.082 56.287 0.345 0.000 0.903 554 K CB -0.238 32.330 32.500 0.113 0.000 1.111 554 K HN 0.449 nan 8.250 nan 0.000 0.475 555 I N 0.216 120.866 120.570 0.135 0.000 3.860 555 I HA 0.152 4.323 4.170 0.000 0.000 0.319 555 I C -0.217 175.929 176.117 0.048 0.000 1.279 555 I CA -0.327 61.030 61.300 0.095 0.000 1.220 555 I CB -0.077 37.999 38.000 0.127 0.000 1.027 555 I HN 0.485 nan 8.210 nan 0.000 0.428 556 D N 0.364 120.764 120.400 0.000 0.000 2.846 556 D HA 0.163 4.804 4.640 0.000 0.000 0.273 556 D C 1.080 177.310 176.300 -0.117 0.000 1.145 556 D CA 0.174 54.163 54.000 -0.018 0.000 1.091 556 D CB 0.539 41.360 40.800 0.035 0.000 1.364 556 D HN -0.046 nan 8.370 nan 0.000 0.613 557 S N -1.943 113.698 115.700 -0.098 0.000 2.474 557 S HA 0.190 4.660 4.470 0.000 0.000 0.235 557 S C 1.838 176.256 174.600 -0.305 0.000 0.997 557 S CA 1.108 59.209 58.200 -0.164 0.000 0.949 557 S CB -0.949 62.193 63.200 -0.097 0.000 0.766 557 S HN 1.591 nan 8.310 nan 0.000 0.517 558 G N 0.273 108.880 108.800 -0.322 0.000 2.175 558 G HA2 -0.201 3.759 3.960 0.000 0.000 0.244 558 G HA3 -0.201 3.759 3.960 0.000 0.000 0.244 558 G C -0.027 174.856 174.900 -0.029 0.000 0.982 558 G CA 0.386 45.221 45.100 -0.442 0.000 0.641 558 G HN 0.538 nan 8.290 nan 0.000 0.527 559 L N 0.000 121.193 121.223 -0.050 0.000 2.949 559 L HA 0.000 4.340 4.340 0.000 0.000 0.249 559 L CA 0.000 54.853 54.840 0.022 0.000 0.813 559 L CB 0.000 41.978 42.059 -0.135 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502