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 2ign_1_E DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.228 176.300 -0.121 0.000 1.140 43 M CA 0.000 55.229 55.300 -0.118 0.000 0.988 43 M CB 0.000 32.350 32.600 -0.417 0.000 1.302 44 D N 2.757 123.132 120.400 -0.042 0.000 2.362 44 D HA 0.292 4.932 4.640 -0.000 0.000 0.238 44 D C 1.183 177.396 176.300 -0.145 0.000 1.212 44 D CA 0.264 54.157 54.000 -0.179 0.000 0.902 44 D CB 0.765 41.305 40.800 -0.434 0.000 1.180 44 D HN 0.688 nan 8.370 nan 0.000 0.445 45 I N -2.455 118.016 120.570 -0.165 0.000 4.081 45 I HA 0.293 4.463 4.170 -0.000 0.000 0.333 45 I C 0.062 176.139 176.117 -0.066 0.000 1.413 45 I CA -0.297 60.971 61.300 -0.054 0.000 1.110 45 I CB 0.120 38.098 38.000 -0.037 0.000 1.082 45 I HN -0.048 nan 8.210 nan 0.000 0.402 46 K N 0.968 121.184 120.400 -0.306 0.000 2.463 46 K HA 0.597 4.917 4.320 -0.000 0.000 0.255 46 K C -1.912 174.334 176.600 -0.589 0.000 0.942 46 K CA -0.545 55.578 56.287 -0.273 0.000 0.814 46 K CB 0.881 33.280 32.500 -0.169 0.000 1.122 46 K HN 0.163 nan 8.250 nan 0.000 0.425 47 Y N 1.117 121.391 120.300 -0.042 0.000 2.605 47 Y HA 0.267 4.817 4.550 -0.000 0.000 0.343 47 Y C 0.762 176.622 175.900 -0.066 0.000 1.036 47 Y CA -0.813 57.254 58.100 -0.054 0.000 1.065 47 Y CB 1.810 40.237 38.460 -0.055 0.000 1.288 47 Y HN 0.578 nan 8.280 nan 0.000 0.481 48 D N 0.172 120.644 120.400 0.119 0.000 2.097 48 D HA -0.002 4.638 4.640 -0.000 0.000 0.197 48 D C -0.242 176.043 176.300 -0.025 0.000 0.984 48 D CA 1.526 55.580 54.000 0.089 0.000 0.826 48 D CB 0.202 41.130 40.800 0.214 0.000 0.973 48 D HN 0.109 nan 8.370 nan 0.000 0.460 49 V N 1.092 120.987 119.914 -0.032 0.000 2.638 49 V HA 0.355 4.475 4.120 -0.000 0.000 0.306 49 V C -0.325 175.672 176.094 -0.162 0.000 1.052 49 V CA -1.026 61.167 62.300 -0.179 0.000 0.885 49 V CB 2.520 34.218 31.823 -0.209 0.000 0.999 49 V HN -0.001 nan 8.190 nan 0.000 0.424 50 V N 3.064 122.841 119.914 -0.229 0.000 2.555 50 V HA 0.749 4.869 4.120 -0.000 0.000 0.302 50 V C -0.625 175.416 176.094 -0.089 0.000 1.038 50 V CA -0.603 61.625 62.300 -0.121 0.000 0.887 50 V CB 1.698 33.519 31.823 -0.002 0.000 0.991 50 V HN 0.683 nan 8.190 nan 0.000 0.434 51 I N 4.278 124.821 120.570 -0.045 0.000 2.436 51 I HA 0.463 4.633 4.170 -0.000 0.000 0.289 51 I C -0.545 175.599 176.117 0.046 0.000 1.010 51 I CA -0.913 60.349 61.300 -0.063 0.000 1.098 51 I CB 2.244 40.193 38.000 -0.085 0.000 1.266 51 I HN 0.445 nan 8.210 nan 0.000 0.434 52 V N 5.682 125.610 119.914 0.023 0.000 2.348 52 V HA 0.766 4.886 4.120 -0.000 0.000 0.270 52 V C 0.508 176.617 176.094 0.024 0.000 1.037 52 V CA -0.218 62.117 62.300 0.060 0.000 0.872 52 V CB 0.469 32.302 31.823 0.016 0.000 1.002 52 V HN 1.062 nan 8.190 nan 0.000 0.464 53 G N 4.012 112.843 108.800 0.050 0.000 2.906 53 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.686 53 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.686 53 G C -0.043 174.881 174.900 0.041 0.000 1.170 53 G CA -0.253 44.869 45.100 0.037 0.000 0.775 53 G HN 1.298 nan 8.290 nan 0.000 0.630 54 S N 1.010 116.737 115.700 0.045 0.000 2.588 54 S HA 0.605 5.075 4.470 -0.000 0.000 0.245 54 S C 1.306 175.928 174.600 0.037 0.000 1.021 54 S CA 0.721 58.955 58.200 0.057 0.000 1.006 54 S CB 0.619 63.864 63.200 0.075 0.000 0.830 54 S HN 1.941 nan 8.310 nan 0.000 0.468 55 G N 2.725 111.537 108.800 0.020 0.000 2.631 55 G HA2 0.376 4.336 3.960 -0.000 0.000 0.271 55 G HA3 0.376 4.336 3.960 -0.000 0.000 0.271 55 G C -1.153 173.734 174.900 -0.021 0.000 1.302 55 G CA -1.245 43.851 45.100 -0.008 0.000 1.002 55 G HN 0.246 nan 8.290 nan 0.000 0.519 56 P HA -0.062 nan 4.420 nan 0.000 0.222 56 P C 1.637 178.880 177.300 -0.095 0.000 1.147 56 P CA 0.727 63.778 63.100 -0.082 0.000 0.790 56 P CB 0.203 31.861 31.700 -0.070 0.000 0.780 57 I N 0.050 120.600 120.570 -0.034 0.000 2.339 57 I HA -0.006 4.164 4.170 -0.000 0.000 0.245 57 I C 2.718 178.896 176.117 0.101 0.000 1.096 57 I CA 1.374 62.683 61.300 0.015 0.000 1.408 57 I CB -2.263 35.774 38.000 0.062 0.000 1.092 57 I HN -0.009 nan 8.210 nan 0.000 0.423 58 G N 0.527 109.373 108.800 0.076 0.000 2.469 58 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 58 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 58 G C 1.760 176.665 174.900 0.009 0.000 1.150 58 G CA 1.238 46.374 45.100 0.060 0.000 0.763 58 G HN 0.418 nan 8.290 nan 0.000 0.561 59 C N 0.447 119.725 119.300 -0.037 0.000 2.446 59 C HA 0.059 4.519 4.460 -0.000 0.000 0.279 59 C C 3.183 178.039 174.990 -0.223 0.000 1.366 59 C CA 1.311 60.262 59.018 -0.111 0.000 1.763 59 C CB -0.951 26.778 27.740 -0.019 0.000 1.929 59 C HN 0.460 nan 8.230 nan 0.000 0.509 60 T N 0.009 114.455 114.554 -0.181 0.000 2.737 60 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 60 T C 1.483 176.021 174.700 -0.270 0.000 1.038 60 T CA 1.566 63.524 62.100 -0.238 0.000 1.144 60 T CB -0.412 68.334 68.868 -0.203 0.000 0.866 60 T HN 0.538 nan 8.240 nan 0.000 0.434 61 Y N 1.552 121.712 120.300 -0.232 0.000 2.165 61 Y HA -0.072 4.478 4.550 -0.000 0.000 0.286 61 Y C 2.748 178.437 175.900 -0.351 0.000 1.155 61 Y CA 0.971 58.917 58.100 -0.257 0.000 1.164 61 Y CB -0.709 37.620 38.460 -0.218 0.000 0.978 61 Y HN 0.198 nan 8.280 nan 0.000 0.513 62 A N 0.083 122.720 122.820 -0.304 0.000 1.877 62 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 62 A C 2.308 179.324 177.584 -0.947 0.000 1.186 62 A CA 1.808 53.420 52.037 -0.707 0.000 0.620 62 A CB -0.750 17.583 19.000 -1.112 0.000 0.822 62 A HN 0.417 nan 8.150 nan 0.000 0.443 63 R N -0.396 119.601 120.500 -0.839 0.000 2.080 63 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 63 R C 2.076 178.166 176.300 -0.350 0.000 1.137 63 R CA 1.829 57.587 56.100 -0.569 0.000 0.943 63 R CB -0.275 29.705 30.300 -0.534 0.000 0.846 63 R HN 0.593 nan 8.270 nan 0.000 0.431 64 E N 0.274 120.301 120.200 -0.288 0.000 2.072 64 E HA -0.168 4.181 4.350 -0.000 0.000 0.191 64 E C 2.110 178.649 176.600 -0.103 0.000 0.985 64 E CA 1.227 57.538 56.400 -0.150 0.000 0.801 64 E CB -0.021 29.588 29.700 -0.152 0.000 0.750 64 E HN 0.421 nan 8.360 nan 0.000 0.452 65 L N 0.152 121.285 121.223 -0.150 0.000 2.249 65 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 65 L C 2.456 179.375 176.870 0.081 0.000 1.090 65 L CA 0.167 54.967 54.840 -0.066 0.000 0.802 65 L CB -0.142 41.754 42.059 -0.271 0.000 0.947 65 L HN -0.074 nan 8.230 nan 0.000 0.453 66 V N 0.557 120.425 119.914 -0.076 0.000 2.427 66 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 66 V C 2.561 178.683 176.094 0.045 0.000 1.051 66 V CA 2.005 64.300 62.300 -0.008 0.000 1.048 66 V CB -1.083 30.665 31.823 -0.124 0.000 0.666 66 V HN 0.555 nan 8.190 nan 0.000 0.456 67 G N -0.534 108.269 108.800 0.005 0.000 2.448 67 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.218 67 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.218 67 G C 1.458 176.393 174.900 0.059 0.000 1.135 67 G CA 0.721 45.841 45.100 0.033 0.000 0.784 67 G HN 0.609 nan 8.290 nan 0.000 0.543 68 A N -0.270 122.611 122.820 0.102 0.000 2.259 68 A HA 0.482 4.802 4.320 -0.000 0.000 0.208 68 A C 1.920 179.530 177.584 0.043 0.000 1.201 68 A CA 1.186 53.298 52.037 0.125 0.000 0.824 68 A CB -0.475 18.684 19.000 0.264 0.000 0.838 68 A HN 1.506 nan 8.150 nan 0.000 0.485 69 G N -2.139 106.693 108.800 0.053 0.000 2.157 69 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 69 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 69 G C -0.035 174.796 174.900 -0.114 0.000 0.979 69 G CA 0.206 45.291 45.100 -0.025 0.000 0.650 69 G HN 0.427 nan 8.290 nan 0.000 0.529 70 Y N 0.370 120.669 120.300 -0.001 0.000 2.397 70 Y HA 0.409 4.959 4.550 -0.000 0.000 0.335 70 Y C 1.134 177.024 175.900 -0.016 0.000 1.213 70 Y CA 0.064 58.156 58.100 -0.012 0.000 1.391 70 Y CB 0.714 39.158 38.460 -0.026 0.000 1.293 70 Y HN 0.093 nan 8.280 nan 0.000 0.557 71 K N 2.865 123.337 120.400 0.119 0.000 2.292 71 K HA 0.388 4.708 4.320 -0.000 0.000 0.290 71 K C -1.557 175.139 176.600 0.159 0.000 1.083 71 K CA -0.140 56.196 56.287 0.081 0.000 0.918 71 K CB -0.008 32.499 32.500 0.012 0.000 1.089 71 K HN 0.495 nan 8.250 nan 0.000 0.473 72 V N 3.438 123.428 119.914 0.125 0.000 2.459 72 V HA 0.524 4.644 4.120 -0.000 0.000 0.295 72 V C -0.197 175.772 176.094 -0.208 0.000 1.029 72 V CA -0.915 61.406 62.300 0.035 0.000 0.874 72 V CB 1.384 33.285 31.823 0.131 0.000 0.985 72 V HN 0.872 nan 8.190 nan 0.000 0.438 73 A N 5.961 128.485 122.820 -0.494 0.000 2.317 73 A HA 0.909 5.229 4.320 -0.000 0.000 0.327 73 A C -0.569 176.641 177.584 -0.623 0.000 1.178 73 A CA -0.590 50.919 52.037 -0.880 0.000 0.817 73 A CB 1.333 19.441 19.000 -1.488 0.000 1.189 73 A HN 0.890 nan 8.150 nan 0.000 0.489 74 M N 2.578 121.731 119.600 -0.744 0.000 2.326 74 M HA 0.690 5.170 4.480 -0.000 0.000 0.306 74 M C -2.097 173.866 176.300 -0.562 0.000 1.054 74 M CA -0.421 54.636 55.300 -0.406 0.000 0.922 74 M CB 1.049 33.600 32.600 -0.081 0.000 1.632 74 M HN 0.608 nan 8.290 nan 0.000 0.436 75 F N 2.391 122.337 119.950 -0.007 0.000 2.469 75 F HA 0.539 5.066 4.527 -0.000 0.000 0.332 75 F C 0.009 175.813 175.800 0.006 0.000 1.103 75 F CA -0.487 57.530 58.000 0.029 0.000 0.979 75 F CB 1.296 40.293 39.000 -0.005 0.000 1.137 75 F HN 0.445 nan 8.300 nan 0.000 0.463 76 D N 2.688 123.185 120.400 0.162 0.000 2.780 76 D HA 0.239 4.879 4.640 -0.000 0.000 0.242 76 D C 0.480 176.813 176.300 0.054 0.000 1.135 76 D CA -0.362 53.687 54.000 0.081 0.000 0.859 76 D CB 2.456 43.286 40.800 0.050 0.000 1.530 76 D HN 0.645 nan 8.370 nan 0.000 0.493 77 I N 1.803 122.359 120.570 -0.023 0.000 2.676 77 I HA 0.057 4.227 4.170 -0.000 0.000 0.259 77 I C 1.106 177.191 176.117 -0.054 0.000 1.194 77 I CA 0.615 61.860 61.300 -0.092 0.000 1.473 77 I CB 0.164 37.997 38.000 -0.279 0.000 1.096 77 I HN 0.322 nan 8.210 nan 0.000 0.443 78 G N 0.085 108.871 108.800 -0.024 0.000 2.537 78 G HA2 0.399 4.359 3.960 -0.000 0.000 0.297 78 G HA3 0.399 4.359 3.960 -0.000 0.000 0.297 78 G C -0.843 174.079 174.900 0.035 0.000 1.310 78 G CA -0.426 44.683 45.100 0.014 0.000 1.027 78 G HN 0.309 nan 8.290 nan 0.000 0.505 79 E N -1.340 118.886 120.200 0.043 0.000 2.339 79 E HA 0.378 4.728 4.350 -0.000 0.000 0.262 79 E C -0.508 176.117 176.600 0.042 0.000 0.934 79 E CA -0.794 55.633 56.400 0.044 0.000 0.802 79 E CB 2.494 32.222 29.700 0.047 0.000 1.275 79 E HN 0.269 nan 8.360 nan 0.000 0.427 80 I N 2.535 123.128 120.570 0.038 0.000 2.517 80 I HA 0.006 4.175 4.170 -0.000 0.000 0.285 80 I C -0.232 175.912 176.117 0.046 0.000 1.106 80 I CA 0.628 61.951 61.300 0.039 0.000 1.402 80 I CB 0.113 38.131 38.000 0.029 0.000 1.399 80 I HN 0.555 nan 8.210 nan 0.000 0.535 81 D N 2.820 123.253 120.400 0.054 0.000 3.629 81 D HA 0.021 4.661 4.640 -0.000 0.000 0.306 81 D C -0.250 176.101 176.300 0.085 0.000 1.431 81 D CA -0.344 53.694 54.000 0.064 0.000 0.748 81 D CB -0.176 40.661 40.800 0.061 0.000 1.315 81 D HN 0.223 nan 8.370 nan 0.000 0.667 82 S N -0.071 115.681 115.700 0.088 0.000 2.664 82 S HA 0.629 5.099 4.470 -0.000 0.000 0.245 82 S C 0.969 175.637 174.600 0.113 0.000 1.019 82 S CA 0.058 58.327 58.200 0.116 0.000 0.996 82 S CB 0.738 64.008 63.200 0.117 0.000 0.878 82 S HN 0.906 nan 8.310 nan 0.000 0.493 83 G N 1.583 110.438 108.800 0.092 0.000 2.584 83 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.229 83 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.229 83 G C 0.345 175.280 174.900 0.058 0.000 1.320 83 G CA -0.199 44.949 45.100 0.079 0.000 0.891 83 G HN 0.308 nan 8.290 nan 0.000 0.573 84 L N 0.395 121.647 121.223 0.049 0.000 2.291 84 L HA 0.112 4.452 4.340 -0.000 0.000 0.214 84 L C 1.405 178.290 176.870 0.024 0.000 1.120 84 L CA 0.983 55.841 54.840 0.030 0.000 0.799 84 L CB -0.342 41.729 42.059 0.021 0.000 0.925 84 L HN 0.316 nan 8.230 nan 0.000 0.446 85 K N 1.757 122.182 120.400 0.041 0.000 2.263 85 K HA 0.348 4.668 4.320 -0.000 0.000 0.282 85 K C -0.302 176.323 176.600 0.041 0.000 1.089 85 K CA -0.228 56.080 56.287 0.034 0.000 0.907 85 K CB 1.100 33.633 32.500 0.056 0.000 1.148 85 K HN 0.084 nan 8.250 nan 0.000 0.470 86 I N 1.955 122.533 120.570 0.014 0.000 2.556 86 I HA -0.042 4.128 4.170 -0.000 0.000 0.284 86 I C 1.337 177.475 176.117 0.034 0.000 1.114 86 I CA 0.639 61.952 61.300 0.021 0.000 1.418 86 I CB 0.477 38.479 38.000 0.003 0.000 1.394 86 I HN 0.971 nan 8.210 nan 0.000 0.552 87 G N 4.429 113.261 108.800 0.053 0.000 2.168 87 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.257 87 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.257 87 G C 0.346 175.299 174.900 0.088 0.000 0.997 87 G CA 0.180 45.317 45.100 0.062 0.000 0.708 87 G HN 0.956 nan 8.290 nan 0.000 0.520 88 A N -0.508 122.379 122.820 0.111 0.000 2.272 88 A HA 0.621 4.941 4.320 -0.000 0.000 0.275 88 A C 0.581 178.290 177.584 0.208 0.000 1.096 88 A CA -0.347 51.792 52.037 0.170 0.000 0.822 88 A CB 0.294 19.396 19.000 0.170 0.000 1.088 88 A HN 0.591 nan 8.150 nan 0.000 0.495 89 H N 0.475 119.685 119.070 0.234 0.000 2.929 89 H HA 0.102 4.658 4.556 -0.000 0.000 0.317 89 H C 0.706 176.163 175.328 0.214 0.000 1.031 89 H CA 0.719 56.918 56.048 0.252 0.000 1.466 89 H CB 0.796 30.726 29.762 0.279 0.000 1.482 89 H HN 0.659 nan 8.280 nan 0.000 0.561 90 K N 3.355 123.994 120.400 0.399 0.000 2.439 90 K HA -0.085 4.235 4.320 -0.000 0.000 0.197 90 K C 1.530 178.390 176.600 0.434 0.000 1.041 90 K CA 0.757 57.309 56.287 0.442 0.000 0.970 90 K CB 0.314 33.082 32.500 0.445 0.000 0.773 90 K HN 0.530 nan 8.250 nan 0.000 0.479 91 K N -0.152 120.359 120.400 0.185 0.000 2.417 91 K HA 0.080 4.400 4.320 -0.000 0.000 0.196 91 K C 0.556 177.152 176.600 -0.007 0.000 1.023 91 K CA 0.319 56.396 56.287 -0.350 0.000 1.122 91 K CB 0.273 31.918 32.500 -1.426 0.000 0.850 91 K HN -0.116 nan 8.250 nan 0.000 0.521 92 N N 2.027 120.833 118.700 0.176 0.000 2.383 92 N HA -0.038 4.702 4.740 -0.000 0.000 0.192 92 N C -0.133 175.591 175.510 0.356 0.000 1.141 92 N CA 0.624 53.798 53.050 0.206 0.000 0.851 92 N CB 0.395 39.074 38.487 0.321 0.000 0.976 92 N HN 0.478 nan 8.380 nan 0.000 0.465 93 T N -3.035 111.718 114.554 0.331 0.000 2.882 93 T HA 0.216 4.566 4.350 -0.000 0.000 0.287 93 T C 1.738 176.614 174.700 0.294 0.000 1.014 93 T CA -0.689 61.596 62.100 0.309 0.000 1.049 93 T CB 1.399 70.420 68.868 0.254 0.000 1.001 93 T HN -0.201 nan 8.240 nan 0.000 0.525 94 V N 1.528 121.605 119.914 0.273 0.000 2.407 94 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 94 V C 2.906 179.070 176.094 0.117 0.000 1.055 94 V CA 1.745 64.189 62.300 0.240 0.000 1.049 94 V CB -0.862 31.061 31.823 0.166 0.000 0.662 94 V HN 0.870 nan 8.190 nan 0.000 0.455 95 E N -0.413 119.805 120.200 0.029 0.000 2.051 95 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 95 E C 2.161 178.713 176.600 -0.081 0.000 0.991 95 E CA 1.620 57.969 56.400 -0.085 0.000 0.799 95 E CB -0.308 29.245 29.700 -0.245 0.000 0.748 95 E HN 0.722 nan 8.360 nan 0.000 0.449 96 Y N 1.286 121.649 120.300 0.105 0.000 2.373 96 Y HA -0.076 4.474 4.550 -0.000 0.000 0.293 96 Y C 2.450 178.361 175.900 0.019 0.000 1.129 96 Y CA 0.735 58.889 58.100 0.089 0.000 1.226 96 Y CB -0.131 38.399 38.460 0.118 0.000 1.000 96 Y HN 0.037 nan 8.280 nan 0.000 0.549 97 Q N 0.270 120.142 119.800 0.121 0.000 2.230 97 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 97 Q C 1.691 177.731 176.000 0.066 0.000 0.963 97 Q CA 1.115 56.931 55.803 0.023 0.000 0.866 97 Q CB -0.115 28.572 28.738 -0.084 0.000 0.931 97 Q HN 0.502 nan 8.270 nan 0.000 0.452 98 K N 0.306 120.755 120.400 0.081 0.000 2.314 98 K HA 0.053 4.373 4.320 -0.000 0.000 0.198 98 K C 0.232 176.875 176.600 0.073 0.000 1.045 98 K CA 0.338 56.666 56.287 0.067 0.000 0.988 98 K CB 0.474 33.004 32.500 0.051 0.000 0.783 98 K HN 0.070 nan 8.250 nan 0.000 0.484 99 N N 1.133 119.896 118.700 0.104 0.000 2.711 99 N HA 0.065 4.805 4.740 -0.000 0.000 0.263 99 N C 0.207 175.844 175.510 0.212 0.000 1.667 99 N CA -0.019 53.108 53.050 0.129 0.000 0.785 99 N CB 0.942 39.489 38.487 0.100 0.000 1.231 99 N HN 0.030 nan 8.380 nan 0.000 0.503 100 I N 0.255 120.929 120.570 0.174 0.000 2.264 100 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 100 I C 0.732 176.975 176.117 0.210 0.000 1.111 100 I CA 1.609 63.013 61.300 0.174 0.000 1.382 100 I CB 0.385 38.435 38.000 0.083 0.000 1.060 100 I HN 0.095 nan 8.210 nan 0.000 0.418 101 D N 1.002 121.522 120.400 0.201 0.000 2.264 101 D HA -0.143 4.497 4.640 -0.000 0.000 0.208 101 D C 1.960 178.364 176.300 0.172 0.000 0.966 101 D CA 0.600 54.713 54.000 0.189 0.000 0.864 101 D CB -0.101 40.839 40.800 0.233 0.000 0.933 101 D HN 0.312 nan 8.370 nan 0.000 0.499 102 K N 0.121 120.663 120.400 0.236 0.000 2.360 102 K HA -0.103 4.217 4.320 -0.000 0.000 0.201 102 K C 1.732 178.479 176.600 0.246 0.000 1.046 102 K CA 0.083 56.526 56.287 0.260 0.000 0.945 102 K CB -0.386 32.319 32.500 0.342 0.000 0.750 102 K HN 0.223 nan 8.250 nan 0.000 0.464 103 F N 1.729 121.697 119.950 0.030 0.000 2.365 103 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 103 F C 1.909 177.607 175.800 -0.170 0.000 1.090 103 F CA 0.578 58.411 58.000 -0.278 0.000 1.408 103 F CB -0.164 38.612 39.000 -0.374 0.000 1.060 103 F HN -0.168 nan 8.300 nan 0.000 0.534 104 V N -1.285 118.570 119.914 -0.098 0.000 2.453 104 V HA -0.341 3.779 4.120 -0.000 0.000 0.252 104 V C 1.809 177.762 176.094 -0.235 0.000 1.068 104 V CA 2.509 64.707 62.300 -0.170 0.000 1.070 104 V CB -1.423 30.310 31.823 -0.150 0.000 0.664 104 V HN 0.371 nan 8.190 nan 0.000 0.461 105 N N 0.771 119.355 118.700 -0.194 0.000 2.188 105 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 105 N C 1.663 177.024 175.510 -0.248 0.000 1.018 105 N CA 1.503 54.456 53.050 -0.162 0.000 0.858 105 N CB -0.398 38.054 38.487 -0.059 0.000 0.989 105 N HN 0.447 nan 8.380 nan 0.000 0.426 106 V N 1.250 120.878 119.914 -0.475 0.000 2.295 106 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 106 V C 2.039 177.846 176.094 -0.479 0.000 1.049 106 V CA 1.388 63.344 62.300 -0.572 0.000 1.024 106 V CB -0.510 30.642 31.823 -1.118 0.000 0.648 106 V HN 0.304 nan 8.190 nan 0.000 0.447 107 I N -0.252 119.988 120.570 -0.550 0.000 2.127 107 I HA -0.336 3.834 4.170 -0.000 0.000 0.241 107 I C 2.712 178.728 176.117 -0.168 0.000 1.075 107 I CA 1.819 62.948 61.300 -0.285 0.000 1.334 107 I CB -0.462 37.411 38.000 -0.211 0.000 1.040 107 I HN 0.351 nan 8.210 nan 0.000 0.405 108 Q N 0.398 120.098 119.800 -0.167 0.000 2.124 108 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 108 Q C 2.332 178.281 176.000 -0.085 0.000 0.977 108 Q CA 1.495 57.230 55.803 -0.112 0.000 0.850 108 Q CB -0.365 28.305 28.738 -0.113 0.000 0.901 108 Q HN 0.654 nan 8.270 nan 0.000 0.429 109 G N 1.228 109.969 108.800 -0.098 0.000 2.443 109 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 109 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 109 G C 1.270 176.146 174.900 -0.040 0.000 1.131 109 G CA 0.721 45.784 45.100 -0.061 0.000 0.775 109 G HN 0.451 nan 8.290 nan 0.000 0.547 110 Q N -0.521 119.247 119.800 -0.053 0.000 2.376 110 Q HA 0.288 4.628 4.340 -0.000 0.000 0.206 110 Q C 0.745 176.748 176.000 0.005 0.000 0.921 110 Q CA -0.137 55.656 55.803 -0.017 0.000 0.911 110 Q CB -0.060 28.667 28.738 -0.018 0.000 1.032 110 Q HN 0.297 nan 8.270 nan 0.000 0.510 111 L N 2.408 123.626 121.223 -0.009 0.000 2.360 111 L HA 0.262 4.602 4.340 -0.000 0.000 0.276 111 L C -0.318 176.564 176.870 0.021 0.000 1.121 111 L CA -0.223 54.623 54.840 0.010 0.000 0.845 111 L CB 0.774 42.830 42.059 -0.006 0.000 1.143 111 L HN 0.200 nan 8.230 nan 0.000 0.452 112 M N 2.376 122.004 119.600 0.047 0.000 2.181 112 M HA 0.278 4.758 4.480 -0.000 0.000 0.323 112 M C -0.107 176.227 176.300 0.056 0.000 1.004 112 M CA -0.524 54.810 55.300 0.056 0.000 0.941 112 M CB 1.442 34.099 32.600 0.095 0.000 1.579 112 M HN 0.376 nan 8.290 nan 0.000 0.427 113 S N 1.821 117.544 115.700 0.037 0.000 2.563 113 S HA 0.122 4.592 4.470 -0.000 0.000 0.294 113 S C 1.660 176.290 174.600 0.049 0.000 1.279 113 S CA -0.445 57.776 58.200 0.034 0.000 1.069 113 S CB 0.759 63.969 63.200 0.016 0.000 0.828 113 S HN 0.530 nan 8.310 nan 0.000 0.497 114 V N 2.655 122.609 119.914 0.067 0.000 2.307 114 V HA -0.012 4.108 4.120 -0.000 0.000 0.245 114 V C 1.223 177.314 176.094 -0.005 0.000 1.045 114 V CA 1.511 63.841 62.300 0.049 0.000 1.024 114 V CB 0.006 31.894 31.823 0.108 0.000 0.651 114 V HN 0.797 nan 8.190 nan 0.000 0.449 115 S N -0.610 115.108 115.700 0.030 0.000 2.736 115 S HA 0.528 4.998 4.470 -0.000 0.000 0.285 115 S C -1.143 173.456 174.600 -0.001 0.000 1.163 115 S CA -0.497 57.685 58.200 -0.031 0.000 1.025 115 S CB 1.526 64.670 63.200 -0.092 0.000 1.030 115 S HN 0.007 nan 8.310 nan 0.000 0.486 116 V N 7.761 127.663 119.914 -0.021 0.000 2.357 116 V HA 0.538 4.658 4.120 -0.000 0.000 0.284 116 V C -1.985 174.089 176.094 -0.033 0.000 1.018 116 V CA -1.815 60.473 62.300 -0.021 0.000 0.841 116 V CB 1.332 33.143 31.823 -0.020 0.000 0.991 116 V HN 0.710 nan 8.190 nan 0.000 0.437 117 P HA 0.155 nan 4.420 nan 0.000 0.273 117 P C -0.097 177.176 177.300 -0.045 0.000 1.250 117 P CA -0.135 62.942 63.100 -0.037 0.000 0.793 117 P CB 0.817 32.496 31.700 -0.035 0.000 1.011 118 V N 2.181 122.070 119.914 -0.041 0.000 2.599 118 V HA -0.041 4.078 4.120 -0.000 0.000 0.300 118 V C 1.259 177.297 176.094 -0.092 0.000 1.034 118 V CA 0.238 62.509 62.300 -0.049 0.000 1.115 118 V CB -0.649 31.166 31.823 -0.015 0.000 0.934 118 V HN 0.616 nan 8.190 nan 0.000 0.485 119 N N 3.522 122.161 118.700 -0.102 0.000 2.488 119 N HA 0.105 4.845 4.740 -0.000 0.000 0.274 119 N C 0.551 175.898 175.510 -0.271 0.000 1.111 119 N CA 0.315 53.281 53.050 -0.139 0.000 0.974 119 N CB 1.568 40.002 38.487 -0.088 0.000 1.089 119 N HN 0.859 nan 8.380 nan 0.000 0.465 120 T N 0.996 115.275 114.554 -0.458 0.000 3.252 120 T HA 0.286 4.636 4.350 -0.000 0.000 0.286 120 T C 0.701 174.971 174.700 -0.717 0.000 1.013 120 T CA -0.441 60.995 62.100 -1.107 0.000 0.914 120 T CB -0.481 67.808 68.868 -0.965 0.000 1.131 120 T HN 0.270 nan 8.240 nan 0.000 0.529 121 L N 1.960 123.023 121.223 -0.267 0.000 2.367 121 L HA 0.440 4.780 4.340 -0.000 0.000 0.275 121 L C 0.034 176.963 176.870 0.099 0.000 1.129 121 L CA -0.904 53.891 54.840 -0.077 0.000 0.839 121 L CB 1.126 43.160 42.059 -0.041 0.000 1.133 121 L HN 0.067 nan 8.230 nan 0.000 0.453 122 V N 4.550 124.540 119.914 0.126 0.000 2.432 122 V HA 0.183 4.303 4.120 -0.000 0.000 0.275 122 V C 0.167 176.325 176.094 0.106 0.000 1.043 122 V CA -0.491 61.923 62.300 0.191 0.000 0.925 122 V CB 1.518 33.438 31.823 0.161 0.000 0.985 122 V HN 0.419 nan 8.190 nan 0.000 0.466 123 V N 5.200 125.175 119.914 0.101 0.000 2.304 123 V HA 0.335 4.455 4.120 -0.000 0.000 0.278 123 V C 0.158 176.279 176.094 0.045 0.000 1.018 123 V CA -0.438 61.900 62.300 0.063 0.000 0.814 123 V CB 1.267 33.128 31.823 0.063 0.000 1.021 123 V HN 1.060 nan 8.190 nan 0.000 0.440 124 D N 2.068 122.488 120.400 0.034 0.000 2.538 124 D HA 0.007 4.647 4.640 -0.000 0.000 0.231 124 D C 1.129 177.437 176.300 0.013 0.000 1.229 124 D CA 0.247 54.258 54.000 0.018 0.000 0.828 124 D CB 0.480 41.291 40.800 0.017 0.000 1.035 124 D HN 0.547 nan 8.370 nan 0.000 0.495 125 T N -1.900 112.665 114.554 0.018 0.000 3.228 125 T HA 0.329 4.679 4.350 -0.000 0.000 0.278 125 T C 0.698 175.409 174.700 0.018 0.000 1.014 125 T CA -0.554 61.555 62.100 0.016 0.000 0.904 125 T CB -0.319 68.559 68.868 0.016 0.000 1.110 125 T HN 0.006 nan 8.240 nan 0.000 0.541 126 L N 2.080 123.315 121.223 0.020 0.000 2.483 126 L HA 0.278 4.618 4.340 -0.000 0.000 0.275 126 L C 1.160 178.041 176.870 0.017 0.000 1.220 126 L CA -0.433 54.422 54.840 0.025 0.000 0.833 126 L CB 0.354 42.431 42.059 0.030 0.000 1.102 126 L HN 0.258 nan 8.230 nan 0.000 0.490 127 S N 1.900 117.614 115.700 0.023 0.000 2.568 127 S HA 0.107 4.577 4.470 -0.000 0.000 0.282 127 S C -1.451 173.157 174.600 0.012 0.000 1.338 127 S CA -1.043 57.168 58.200 0.018 0.000 1.045 127 S CB 0.814 64.029 63.200 0.024 0.000 0.873 127 S HN 0.398 nan 8.310 nan 0.000 0.516 128 P HA -0.070 nan 4.420 nan 0.000 0.221 128 P C 1.395 178.696 177.300 0.002 0.000 1.145 128 P CA 1.309 64.406 63.100 -0.004 0.000 0.795 128 P CB -0.235 31.461 31.700 -0.006 0.000 0.775 129 T N -5.227 109.337 114.554 0.016 0.000 3.055 129 T HA 0.058 4.408 4.350 -0.000 0.000 0.265 129 T C 1.026 175.758 174.700 0.053 0.000 1.111 129 T CA 0.216 62.334 62.100 0.029 0.000 1.118 129 T CB -0.656 68.231 68.868 0.031 0.000 0.909 129 T HN -0.090 nan 8.240 nan 0.000 0.501 130 S N 1.271 117.005 115.700 0.057 0.000 2.565 130 S HA 0.318 4.788 4.470 -0.000 0.000 0.276 130 S C -0.575 174.105 174.600 0.133 0.000 1.326 130 S CA -1.021 57.241 58.200 0.103 0.000 1.045 130 S CB 0.231 63.488 63.200 0.095 0.000 0.918 130 S HN 0.603 nan 8.310 nan 0.000 0.505 131 W N 3.037 124.344 121.300 0.012 0.000 2.210 131 W HA 0.222 4.882 4.660 -0.000 0.000 0.330 131 W C 0.201 176.734 176.519 0.023 0.000 1.334 131 W CA 0.408 57.760 57.345 0.011 0.000 1.227 131 W CB 0.367 29.833 29.460 0.011 0.000 1.178 131 W HN 0.429 nan 8.180 nan 0.000 0.560 132 Q N 3.101 122.538 119.800 -0.605 0.000 2.615 132 Q HA 0.601 4.941 4.340 -0.000 0.000 0.298 132 Q C -0.977 174.433 176.000 -0.984 0.000 1.023 132 Q CA -0.886 54.596 55.803 -0.536 0.000 0.768 132 Q CB 1.858 30.473 28.738 -0.205 0.000 1.500 132 Q HN 0.568 nan 8.270 nan 0.000 0.441 133 A N 0.284 122.830 122.820 -0.457 0.000 2.316 133 A HA 0.477 4.797 4.320 -0.000 0.000 0.284 133 A C 0.522 177.923 177.584 -0.304 0.000 1.115 133 A CA -0.071 51.776 52.037 -0.318 0.000 0.812 133 A CB 0.532 19.598 19.000 0.110 0.000 1.064 133 A HN 0.650 nan 8.150 nan 0.000 0.489 134 S N -0.352 115.196 115.700 -0.253 0.000 2.503 134 S HA 0.117 4.587 4.470 -0.000 0.000 0.217 134 S C 0.856 175.341 174.600 -0.192 0.000 0.999 134 S CA 0.885 58.961 58.200 -0.207 0.000 0.914 134 S CB -0.098 63.004 63.200 -0.164 0.000 0.782 134 S HN 1.113 nan 8.310 nan 0.000 0.520 135 T N -1.459 113.015 114.554 -0.132 0.000 2.841 135 T HA 0.631 4.981 4.350 -0.000 0.000 0.296 135 T C -1.032 173.619 174.700 -0.081 0.000 1.166 135 T CA -0.752 61.273 62.100 -0.125 0.000 1.007 135 T CB 0.693 69.590 68.868 0.049 0.000 1.253 135 T HN -0.089 nan 8.240 nan 0.000 0.511 136 F N 2.939 122.966 119.950 0.128 0.000 2.541 136 F HA 0.399 4.926 4.527 -0.000 0.000 0.351 136 F C 0.409 176.250 175.800 0.069 0.000 1.209 136 F CA -1.792 56.240 58.000 0.054 0.000 1.277 136 F CB -0.895 38.109 39.000 0.007 0.000 1.632 136 F HN 0.560 nan 8.300 nan 0.000 0.619 137 F N -0.892 119.159 119.950 0.169 0.000 2.399 137 F HA 0.571 5.098 4.527 -0.000 0.000 0.313 137 F C -0.037 175.835 175.800 0.121 0.000 1.202 137 F CA -1.593 56.483 58.000 0.127 0.000 1.192 137 F CB -0.126 38.941 39.000 0.111 0.000 1.256 137 F HN -0.174 nan 8.300 nan 0.000 0.558 138 V N 2.774 122.830 119.914 0.236 0.000 2.421 138 V HA 0.288 4.408 4.120 -0.000 0.000 0.271 138 V C 0.134 176.251 176.094 0.039 0.000 1.031 138 V CA -0.050 62.303 62.300 0.088 0.000 1.032 138 V CB -0.499 31.394 31.823 0.117 0.000 1.009 138 V HN 0.723 nan 8.190 nan 0.000 0.477 139 R N 3.803 124.226 120.500 -0.129 0.000 2.744 139 R HA 0.457 4.797 4.340 -0.000 0.000 0.279 139 R C 0.091 176.347 176.300 -0.073 0.000 0.977 139 R CA -0.920 55.072 56.100 -0.181 0.000 0.906 139 R CB 1.361 31.406 30.300 -0.425 0.000 1.197 139 R HN 0.701 nan 8.270 nan 0.000 0.463 140 N N 0.828 119.510 118.700 -0.029 0.000 2.721 140 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 140 N C 0.467 175.967 175.510 -0.016 0.000 1.072 140 N CA 1.579 54.616 53.050 -0.021 0.000 0.710 140 N CB -1.100 37.367 38.487 -0.033 0.000 0.993 140 N HN 1.084 nan 8.380 nan 0.000 0.547 141 G N -1.918 106.879 108.800 -0.006 0.000 2.159 141 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.256 141 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.256 141 G C 0.289 175.184 174.900 -0.008 0.000 0.977 141 G CA 0.858 45.956 45.100 -0.003 0.000 0.652 141 G HN 1.275 nan 8.290 nan 0.000 0.531 142 S N -0.568 115.121 115.700 -0.017 0.000 2.593 142 S HA 0.511 4.981 4.470 -0.000 0.000 0.269 142 S C 0.097 174.686 174.600 -0.018 0.000 1.334 142 S CA 0.017 58.202 58.200 -0.024 0.000 1.015 142 S CB 1.823 65.001 63.200 -0.037 0.000 0.912 142 S HN 0.643 nan 8.310 nan 0.000 0.541 143 N N 1.862 120.544 118.700 -0.030 0.000 2.546 143 N HA 0.368 5.108 4.740 -0.000 0.000 0.238 143 N C -1.827 173.664 175.510 -0.031 0.000 0.984 143 N CA -2.528 50.496 53.050 -0.043 0.000 0.935 143 N CB 1.291 39.725 38.487 -0.089 0.000 1.122 143 N HN 0.357 nan 8.380 nan 0.000 0.510 144 P HA -0.027 nan 4.420 nan 0.000 0.237 144 P C 0.314 177.634 177.300 0.033 0.000 1.178 144 P CA 0.736 63.850 63.100 0.024 0.000 0.766 144 P CB 0.577 32.307 31.700 0.050 0.000 0.876 145 E N -0.141 120.064 120.200 0.008 0.000 2.347 145 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 145 E C 0.902 177.503 176.600 0.001 0.000 1.008 145 E CA 0.622 57.045 56.400 0.037 0.000 0.852 145 E CB -0.113 29.543 29.700 -0.074 0.000 0.783 145 E HN 0.319 nan 8.360 nan 0.000 0.505 146 Q N 2.149 121.916 119.800 -0.054 0.000 2.294 146 Q HA 0.040 4.380 4.340 -0.000 0.000 0.257 146 Q C -0.865 175.137 176.000 0.004 0.000 0.955 146 Q CA -0.238 55.531 55.803 -0.057 0.000 0.936 146 Q CB 0.865 29.557 28.738 -0.078 0.000 1.188 146 Q HN -0.204 nan 8.270 nan 0.000 0.420 147 D N 5.925 126.347 120.400 0.037 0.000 2.358 147 D HA 0.077 4.717 4.640 -0.000 0.000 0.258 147 D C -1.697 174.616 176.300 0.022 0.000 1.223 147 D CA -1.926 52.097 54.000 0.039 0.000 0.886 147 D CB 1.311 42.148 40.800 0.062 0.000 1.120 147 D HN 0.435 nan 8.370 nan 0.000 0.482 148 P HA -0.081 nan 4.420 nan 0.000 0.225 148 P C 1.215 178.515 177.300 0.001 0.000 1.148 148 P CA 0.706 63.802 63.100 -0.007 0.000 0.779 148 P CB 0.314 31.997 31.700 -0.027 0.000 0.780 149 L N -1.294 119.934 121.223 0.008 0.000 2.607 149 L HA 0.188 4.528 4.340 -0.000 0.000 0.228 149 L C 1.466 178.348 176.870 0.020 0.000 1.123 149 L CA 0.211 55.056 54.840 0.009 0.000 0.890 149 L CB -0.180 41.881 42.059 0.003 0.000 1.103 149 L HN -0.170 nan 8.230 nan 0.000 0.468 150 R N 0.085 120.606 120.500 0.035 0.000 2.834 150 R HA 0.225 4.565 4.340 -0.000 0.000 0.362 150 R C -0.458 175.896 176.300 0.091 0.000 1.147 150 R CA -0.270 55.864 56.100 0.055 0.000 1.125 150 R CB 0.285 30.621 30.300 0.059 0.000 1.361 150 R HN 0.048 nan 8.270 nan 0.000 0.598 151 N N 0.565 119.298 118.700 0.054 0.000 2.432 151 N HA 0.371 5.111 4.740 -0.000 0.000 0.292 151 N C -0.725 174.707 175.510 -0.131 0.000 1.193 151 N CA -0.679 52.387 53.050 0.027 0.000 0.878 151 N CB 1.259 39.761 38.487 0.024 0.000 1.252 151 N HN 0.094 nan 8.380 nan 0.000 0.520 152 L N 2.100 123.082 121.223 -0.401 0.000 2.494 152 L HA 0.220 4.560 4.340 -0.000 0.000 0.251 152 L C 1.389 178.070 176.870 -0.315 0.000 1.119 152 L CA -0.287 54.187 54.840 -0.609 0.000 1.026 152 L CB 0.371 41.674 42.059 -1.259 0.000 1.370 152 L HN 0.645 nan 8.230 nan 0.000 0.426 153 S N -0.399 115.214 115.700 -0.145 0.000 2.419 153 S HA -0.121 4.349 4.470 -0.000 0.000 0.233 153 S C 1.797 176.359 174.600 -0.063 0.000 1.016 153 S CA 0.992 59.154 58.200 -0.064 0.000 0.974 153 S CB -0.190 62.988 63.200 -0.037 0.000 0.786 153 S HN 0.632 nan 8.310 nan 0.000 0.492 154 G N 0.443 109.189 108.800 -0.089 0.000 2.813 154 G HA2 0.076 4.036 3.960 -0.000 0.000 0.209 154 G HA3 0.076 4.036 3.960 -0.000 0.000 0.209 154 G C 0.560 175.418 174.900 -0.070 0.000 1.150 154 G CA -0.280 44.778 45.100 -0.069 0.000 0.785 154 G HN 0.368 nan 8.290 nan 0.000 0.535 155 Q N 0.666 120.400 119.800 -0.110 0.000 2.300 155 Q HA 0.491 4.831 4.340 -0.000 0.000 0.280 155 Q C -0.111 175.905 176.000 0.026 0.000 1.033 155 Q CA 0.260 56.025 55.803 -0.063 0.000 0.903 155 Q CB 1.336 29.997 28.738 -0.128 0.000 1.195 155 Q HN 0.289 nan 8.270 nan 0.000 0.386 156 A N 2.206 125.045 122.820 0.032 0.000 2.594 156 A HA 0.756 5.076 4.320 -0.000 0.000 0.291 156 A C -0.968 176.647 177.584 0.052 0.000 1.105 156 A CA -0.568 51.494 52.037 0.042 0.000 0.694 156 A CB 1.432 20.446 19.000 0.024 0.000 1.291 156 A HN 0.480 nan 8.150 nan 0.000 0.410 157 V N -1.994 117.961 119.914 0.069 0.000 3.001 157 V HA 0.940 5.060 4.120 -0.000 0.000 0.314 157 V C -0.400 175.755 176.094 0.100 0.000 1.099 157 V CA -0.499 61.857 62.300 0.093 0.000 0.989 157 V CB 1.564 33.470 31.823 0.138 0.000 1.040 157 V HN 0.878 nan 8.190 nan 0.000 0.434 158 T N 2.701 117.313 114.554 0.097 0.000 2.829 158 T HA 0.629 4.979 4.350 -0.000 0.000 0.280 158 T C -0.363 174.379 174.700 0.069 0.000 0.999 158 T CA -0.509 61.634 62.100 0.072 0.000 0.983 158 T CB 1.271 70.170 68.868 0.051 0.000 0.968 158 T HN 0.777 nan 8.240 nan 0.000 0.446 159 R N 2.323 122.853 120.500 0.051 0.000 2.443 159 R HA 0.601 4.941 4.340 -0.000 0.000 0.287 159 R C -1.009 175.306 176.300 0.026 0.000 1.425 159 R CA -0.570 55.539 56.100 0.014 0.000 1.300 159 R CB 0.919 31.201 30.300 -0.029 0.000 1.129 159 R HN 0.517 nan 8.270 nan 0.000 0.577 160 V N -1.731 118.199 119.914 0.025 0.000 3.120 160 V HA 0.432 4.552 4.120 -0.000 0.000 0.303 160 V C -0.027 176.086 176.094 0.031 0.000 1.238 160 V CA -1.200 61.119 62.300 0.032 0.000 1.008 160 V CB 1.873 33.718 31.823 0.035 0.000 1.064 160 V HN 0.125 nan 8.190 nan 0.000 0.434 161 V N 3.192 123.128 119.914 0.036 0.000 2.540 161 V HA 0.490 4.610 4.120 -0.000 0.000 0.297 161 V C 1.716 177.834 176.094 0.039 0.000 1.024 161 V CA 1.996 64.320 62.300 0.040 0.000 1.105 161 V CB 0.099 31.947 31.823 0.042 0.000 0.938 161 V HN 2.081 nan 8.190 nan 0.000 0.482 162 G N 3.233 112.055 108.800 0.037 0.000 2.213 162 G HA2 0.005 3.965 3.960 -0.000 0.000 0.236 162 G HA3 0.005 3.965 3.960 -0.000 0.000 0.236 162 G C 1.008 175.906 174.900 -0.003 0.000 0.991 162 G CA 0.264 45.378 45.100 0.024 0.000 0.629 162 G HN 2.168 nan 8.290 nan 0.000 0.517 163 G N 0.052 108.856 108.800 0.008 0.000 2.574 163 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.282 163 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.282 163 G C 1.142 176.037 174.900 -0.009 0.000 1.257 163 G CA 1.119 46.222 45.100 0.004 0.000 0.956 163 G HN 1.114 nan 8.290 nan 0.000 0.560 164 M N 1.385 120.977 119.600 -0.013 0.000 2.446 164 M HA -0.035 4.445 4.480 -0.000 0.000 0.263 164 M C 2.690 178.958 176.300 -0.053 0.000 1.066 164 M CA 1.868 57.168 55.300 0.001 0.000 1.087 164 M CB -0.277 32.348 32.600 0.042 0.000 1.406 164 M HN 0.763 nan 8.290 nan 0.000 0.459 165 S N -0.505 115.068 115.700 -0.212 0.000 2.603 165 S HA -0.060 4.410 4.470 -0.000 0.000 0.229 165 S C 1.665 176.202 174.600 -0.105 0.000 0.972 165 S CA 1.098 59.032 58.200 -0.443 0.000 0.935 165 S CB -0.911 61.963 63.200 -0.543 0.000 0.769 165 S HN 0.580 nan 8.310 nan 0.000 0.536 166 T N -2.546 111.958 114.554 -0.084 0.000 3.085 166 T HA 0.470 4.820 4.350 -0.000 0.000 0.263 166 T C 1.287 175.837 174.700 -0.251 0.000 1.127 166 T CA 0.509 62.537 62.100 -0.120 0.000 1.103 166 T CB -0.016 68.852 68.868 0.000 0.000 0.921 166 T HN 0.568 nan 8.240 nan 0.000 0.510 167 A N 0.063 122.833 122.820 -0.083 0.000 2.548 167 A HA 0.419 4.739 4.320 -0.000 0.000 0.236 167 A C 0.662 178.485 177.584 0.398 0.000 1.246 167 A CA -0.707 51.466 52.037 0.226 0.000 0.993 167 A CB -0.099 18.986 19.000 0.143 0.000 1.209 167 A HN 0.639 nan 8.150 nan 0.000 0.570 168 W N 0.163 121.499 121.300 0.059 0.000 2.034 168 W HA 0.401 5.060 4.660 -0.000 0.000 0.357 168 W C 0.014 176.628 176.519 0.159 0.000 1.326 168 W CA 0.692 58.116 57.345 0.132 0.000 1.318 168 W CB -0.701 28.814 29.460 0.092 0.000 1.193 168 W HN -0.048 nan 8.180 nan 0.000 0.620 169 T N 0.964 115.459 114.554 -0.099 0.000 3.088 169 T HA -0.003 4.347 4.350 -0.000 0.000 0.259 169 T C 1.016 175.287 174.700 -0.714 0.000 1.122 169 T CA 1.154 63.031 62.100 -0.372 0.000 1.095 169 T CB -0.505 68.307 68.868 -0.093 0.000 0.930 169 T HN 0.667 nan 8.240 nan 0.000 0.508 170 C N 0.974 119.487 119.300 -1.312 0.000 4.617 170 C HA -0.102 4.358 4.460 -0.000 0.000 0.260 170 C C 1.076 175.590 174.990 -0.793 0.000 1.288 170 C CA -0.740 57.262 59.018 -1.693 0.000 1.668 170 C CB -2.674 24.568 27.740 -0.830 0.000 1.518 170 C HN 0.758 nan 8.230 nan 0.000 0.708 171 A N 1.038 123.589 122.820 -0.448 0.000 2.354 171 A HA 0.597 4.917 4.320 -0.000 0.000 0.281 171 A C 0.765 178.274 177.584 -0.124 0.000 1.174 171 A CA 1.033 52.961 52.037 -0.182 0.000 0.828 171 A CB 0.219 19.179 19.000 -0.067 0.000 1.099 171 A HN 1.403 nan 8.150 nan 0.000 0.516 172 T N 1.219 115.717 114.554 -0.093 0.000 3.585 172 T HA 0.505 4.855 4.350 -0.000 0.000 0.252 172 T C -2.810 171.850 174.700 -0.066 0.000 1.382 172 T CA -1.450 60.629 62.100 -0.036 0.000 1.584 172 T CB 0.447 69.325 68.868 0.017 0.000 0.892 172 T HN 0.417 nan 8.240 nan 0.000 0.671 173 P HA 0.406 nan 4.420 nan 0.000 0.276 173 P C -0.105 177.060 177.300 -0.225 0.000 1.244 173 P CA -0.607 62.401 63.100 -0.153 0.000 0.801 173 P CB 1.040 32.622 31.700 -0.198 0.000 1.006 174 R N 0.702 120.986 120.500 -0.359 0.000 2.560 174 R HA 0.397 4.737 4.340 -0.000 0.000 0.270 174 R C 0.028 176.208 176.300 -0.199 0.000 1.074 174 R CA -0.433 55.252 56.100 -0.692 0.000 1.140 174 R CB 0.163 29.882 30.300 -0.968 0.000 1.073 174 R HN 0.364 nan 8.270 nan 0.000 0.527 175 F N 1.885 121.600 119.950 -0.392 0.000 2.396 175 F HA 0.052 4.579 4.527 -0.000 0.000 0.343 175 F C 0.945 176.565 175.800 -0.300 0.000 1.104 175 F CA -1.541 56.264 58.000 -0.325 0.000 1.161 175 F CB 0.297 39.097 39.000 -0.335 0.000 1.146 175 F HN 0.537 nan 8.300 nan 0.000 0.522 176 D N 2.633 122.968 120.400 -0.108 0.000 2.377 176 D HA 0.101 4.741 4.640 -0.000 0.000 0.245 176 D C 1.031 177.249 176.300 -0.137 0.000 1.196 176 D CA -0.400 53.534 54.000 -0.109 0.000 0.962 176 D CB 0.574 41.326 40.800 -0.081 0.000 1.127 176 D HN 0.499 nan 8.370 nan 0.000 0.471 177 R N -0.148 120.295 120.500 -0.095 0.000 2.119 177 R HA -0.220 4.120 4.340 -0.000 0.000 0.246 177 R C 2.063 178.307 176.300 -0.093 0.000 1.146 177 R CA 1.909 57.958 56.100 -0.086 0.000 0.962 177 R CB -0.376 29.909 30.300 -0.024 0.000 0.863 177 R HN 0.704 nan 8.270 nan 0.000 0.442 178 E N 0.879 121.023 120.200 -0.093 0.000 2.204 178 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 178 E C 1.457 177.949 176.600 -0.180 0.000 0.990 178 E CA 1.146 57.498 56.400 -0.080 0.000 0.821 178 E CB 0.196 29.898 29.700 0.002 0.000 0.750 178 E HN 0.431 nan 8.360 nan 0.000 0.477 179 Q N -0.480 119.120 119.800 -0.333 0.000 2.319 179 Q HA 0.135 4.475 4.340 -0.000 0.000 0.202 179 Q C 0.244 176.134 176.000 -0.183 0.000 0.896 179 Q CA -0.115 55.415 55.803 -0.455 0.000 0.942 179 Q CB 0.675 28.832 28.738 -0.969 0.000 1.083 179 Q HN -0.046 nan 8.270 nan 0.000 0.510 180 R N 1.946 122.385 120.500 -0.101 0.000 2.514 180 R HA 0.322 4.662 4.340 -0.000 0.000 0.301 180 R C -2.592 173.687 176.300 -0.034 0.000 0.962 180 R CA -2.153 53.890 56.100 -0.096 0.000 0.882 180 R CB 1.177 31.238 30.300 -0.399 0.000 1.143 180 R HN -0.125 nan 8.270 nan 0.000 0.452 181 P HA 0.033 nan 4.420 nan 0.000 0.272 181 P C -0.554 176.918 177.300 0.288 0.000 1.223 181 P CA -0.081 63.107 63.100 0.147 0.000 0.784 181 P CB 0.701 32.489 31.700 0.147 0.000 0.923 182 L N 2.789 124.132 121.223 0.199 0.000 2.410 182 L HA 0.122 4.462 4.340 -0.000 0.000 0.273 182 L C 1.779 178.786 176.870 0.228 0.000 1.152 182 L CA -0.150 54.871 54.840 0.302 0.000 0.855 182 L CB 0.176 42.455 42.059 0.366 0.000 1.129 182 L HN 0.371 nan 8.230 nan 0.000 0.463 183 L N 3.688 125.081 121.223 0.284 0.000 2.425 183 L HA 0.182 4.522 4.340 -0.000 0.000 0.215 183 L C -0.070 176.962 176.870 0.271 0.000 1.065 183 L CA 0.284 55.177 54.840 0.088 0.000 0.842 183 L CB 0.573 42.460 42.059 -0.287 0.000 1.033 183 L HN 0.339 nan 8.230 nan 0.000 0.474 184 V N 0.983 121.057 119.914 0.267 0.000 2.487 184 V HA 0.267 4.386 4.120 -0.000 0.000 0.298 184 V C -0.441 175.756 176.094 0.171 0.000 1.028 184 V CA -1.004 61.405 62.300 0.182 0.000 0.860 184 V CB 1.635 33.512 31.823 0.090 0.000 0.991 184 V HN 0.170 nan 8.190 nan 0.000 0.427 185 K N 2.203 122.602 120.400 -0.002 0.000 2.098 185 K HA 0.517 4.837 4.320 -0.000 0.000 0.261 185 K C -0.378 176.203 176.600 -0.033 0.000 0.987 185 K CA -0.657 55.597 56.287 -0.054 0.000 0.916 185 K CB 0.891 33.202 32.500 -0.316 0.000 1.039 185 K HN 0.633 nan 8.250 nan 0.000 0.455 186 D N 0.691 121.092 120.400 0.002 0.000 2.911 186 D HA -0.165 4.475 4.640 -0.000 0.000 0.227 186 D C -0.730 175.581 176.300 0.017 0.000 1.164 186 D CA 1.443 55.446 54.000 0.006 0.000 0.782 186 D CB -0.666 40.123 40.800 -0.018 0.000 1.094 186 D HN 0.764 nan 8.370 nan 0.000 0.425 187 D N -1.308 119.115 120.400 0.037 0.000 2.826 187 D HA 0.400 5.040 4.640 -0.000 0.000 0.239 187 D C 0.923 177.261 176.300 0.064 0.000 1.329 187 D CA 0.234 54.258 54.000 0.040 0.000 0.854 187 D CB 0.333 41.151 40.800 0.029 0.000 1.494 187 D HN -0.003 nan 8.370 nan 0.000 0.540 188 A N 1.861 124.720 122.820 0.065 0.000 1.940 188 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 188 A C 1.635 179.269 177.584 0.083 0.000 1.176 188 A CA 1.551 53.636 52.037 0.080 0.000 0.631 188 A CB -0.059 18.980 19.000 0.065 0.000 0.814 188 A HN 0.409 nan 8.150 nan 0.000 0.446 189 D N 0.029 120.467 120.400 0.064 0.000 2.144 189 D HA -0.008 4.632 4.640 -0.000 0.000 0.200 189 D C 2.197 178.536 176.300 0.066 0.000 0.978 189 D CA 1.491 55.527 54.000 0.061 0.000 0.833 189 D CB -0.418 40.408 40.800 0.044 0.000 0.961 189 D HN 0.436 nan 8.370 nan 0.000 0.470 190 A N 0.647 123.503 122.820 0.060 0.000 1.898 190 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 190 A C 1.957 179.586 177.584 0.075 0.000 1.181 190 A CA 1.920 53.989 52.037 0.053 0.000 0.620 190 A CB -0.677 18.346 19.000 0.038 0.000 0.819 190 A HN 0.191 nan 8.150 nan 0.000 0.442 191 D N -0.177 120.291 120.400 0.114 0.000 2.104 191 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 191 D C 1.295 177.757 176.300 0.270 0.000 0.994 191 D CA 1.652 55.767 54.000 0.191 0.000 0.830 191 D CB -0.142 40.800 40.800 0.236 0.000 0.959 191 D HN 0.349 nan 8.370 nan 0.000 0.452 192 D N -0.175 120.352 120.400 0.211 0.000 2.116 192 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 192 D C 2.019 178.431 176.300 0.186 0.000 0.998 192 D CA 1.662 55.786 54.000 0.207 0.000 0.836 192 D CB -0.694 40.184 40.800 0.130 0.000 0.951 192 D HN 0.335 nan 8.370 nan 0.000 0.449 193 A N 0.549 123.438 122.820 0.116 0.000 1.933 193 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 193 A C 2.137 179.753 177.584 0.053 0.000 1.175 193 A CA 2.019 54.102 52.037 0.077 0.000 0.628 193 A CB -0.543 18.484 19.000 0.045 0.000 0.814 193 A HN 0.201 nan 8.150 nan 0.000 0.444 194 E N -0.871 119.342 120.200 0.022 0.000 2.047 194 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 194 E C 1.696 178.212 176.600 -0.141 0.000 0.987 194 E CA 1.552 57.895 56.400 -0.096 0.000 0.799 194 E CB -0.484 29.111 29.700 -0.175 0.000 0.752 194 E HN 0.720 nan 8.360 nan 0.000 0.449 195 W N 0.782 122.043 121.300 -0.064 0.000 2.358 195 W HA -0.121 4.539 4.660 -0.000 0.000 0.303 195 W C 2.198 178.709 176.519 -0.013 0.000 1.208 195 W CA 1.267 58.535 57.345 -0.128 0.000 1.274 195 W CB -0.429 28.998 29.460 -0.055 0.000 1.138 195 W HN 0.253 nan 8.180 nan 0.000 0.515 196 D N -0.026 120.549 120.400 0.291 0.000 2.104 196 D HA -0.223 4.417 4.640 -0.000 0.000 0.194 196 D C 2.146 178.520 176.300 0.125 0.000 0.994 196 D CA 1.583 55.717 54.000 0.223 0.000 0.830 196 D CB -0.216 40.672 40.800 0.147 0.000 0.959 196 D HN -0.053 nan 8.370 nan 0.000 0.452 197 R N -0.403 120.124 120.500 0.044 0.000 2.083 197 R HA -0.110 4.230 4.340 -0.000 0.000 0.237 197 R C 2.479 178.741 176.300 -0.062 0.000 1.137 197 R CA 1.270 57.359 56.100 -0.019 0.000 0.951 197 R CB -0.313 29.954 30.300 -0.054 0.000 0.851 197 R HN 0.275 nan 8.270 nan 0.000 0.434 198 L N -0.768 120.383 121.223 -0.119 0.000 2.027 198 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 198 L C 2.340 179.141 176.870 -0.115 0.000 1.074 198 L CA 1.146 55.860 54.840 -0.210 0.000 0.745 198 L CB -0.586 41.238 42.059 -0.392 0.000 0.898 198 L HN 0.217 nan 8.230 nan 0.000 0.433 199 Y N 0.416 120.722 120.300 0.009 0.000 2.181 199 Y HA -0.244 4.306 4.550 -0.000 0.000 0.288 199 Y C 2.887 178.769 175.900 -0.030 0.000 1.146 199 Y CA 1.576 59.687 58.100 0.019 0.000 1.164 199 Y CB -1.183 37.318 38.460 0.069 0.000 0.982 199 Y HN 0.141 nan 8.280 nan 0.000 0.515 200 T N -0.325 114.306 114.554 0.129 0.000 2.759 200 T HA -0.222 4.128 4.350 -0.000 0.000 0.269 200 T C 1.976 176.648 174.700 -0.046 0.000 1.042 200 T CA 1.741 63.866 62.100 0.041 0.000 1.140 200 T CB -0.168 68.715 68.868 0.025 0.000 0.864 200 T HN 0.235 nan 8.240 nan 0.000 0.455 201 K N 0.774 121.088 120.400 -0.143 0.000 2.057 201 K HA 0.057 4.377 4.320 -0.000 0.000 0.206 201 K C 2.526 178.815 176.600 -0.519 0.000 1.050 201 K CA 1.026 57.103 56.287 -0.348 0.000 0.935 201 K CB -0.271 31.971 32.500 -0.431 0.000 0.715 201 K HN 0.262 nan 8.250 nan 0.000 0.439 202 A N 1.303 123.927 122.820 -0.327 0.000 1.902 202 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 202 A C 1.790 179.389 177.584 0.025 0.000 1.181 202 A CA 1.733 53.648 52.037 -0.203 0.000 0.623 202 A CB -0.475 18.511 19.000 -0.024 0.000 0.818 202 A HN 0.453 nan 8.150 nan 0.000 0.443 203 E N 0.245 120.495 120.200 0.084 0.000 2.110 203 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 203 E C 2.349 179.038 176.600 0.149 0.000 0.988 203 E CA 1.457 57.952 56.400 0.158 0.000 0.804 203 E CB -0.198 29.567 29.700 0.109 0.000 0.745 203 E HN 0.816 nan 8.360 nan 0.000 0.458 204 S N 0.163 115.902 115.700 0.064 0.000 2.368 204 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 204 S C 1.937 176.681 174.600 0.240 0.000 1.029 204 S CA 0.651 58.917 58.200 0.109 0.000 0.988 204 S CB -0.448 62.785 63.200 0.055 0.000 0.838 204 S HN 0.197 nan 8.310 nan 0.000 0.462 205 Y N 0.693 121.013 120.300 0.033 0.000 2.165 205 Y HA 0.069 4.619 4.550 -0.000 0.000 0.286 205 Y C 2.071 178.016 175.900 0.074 0.000 1.155 205 Y CA 0.084 58.174 58.100 -0.017 0.000 1.164 205 Y CB -1.076 37.290 38.460 -0.157 0.000 0.978 205 Y HN 0.312 nan 8.280 nan 0.000 0.513 206 F N 0.083 120.194 119.950 0.268 0.000 2.743 206 F HA 0.041 4.568 4.527 -0.000 0.000 0.297 206 F C 0.862 176.784 175.800 0.203 0.000 1.131 206 F CA 0.192 58.342 58.000 0.251 0.000 1.426 206 F CB -0.270 38.899 39.000 0.281 0.000 1.116 206 F HN -0.015 nan 8.300 nan 0.000 0.583 207 Q N 0.509 120.506 119.800 0.330 0.000 2.468 207 Q HA -0.190 4.150 4.340 -0.000 0.000 0.289 207 Q C 0.064 176.159 176.000 0.157 0.000 1.299 207 Q CA 0.759 56.680 55.803 0.198 0.000 0.838 207 Q CB -2.669 26.162 28.738 0.155 0.000 1.195 207 Q HN 0.217 nan 8.270 nan 0.000 0.456 208 T N -0.109 114.554 114.554 0.181 0.000 2.916 208 T HA 0.472 4.822 4.350 -0.000 0.000 0.303 208 T C 0.799 175.537 174.700 0.064 0.000 1.025 208 T CA 0.571 62.741 62.100 0.115 0.000 1.142 208 T CB 1.350 70.296 68.868 0.130 0.000 0.947 208 T HN 0.506 nan 8.240 nan 0.000 0.544 209 G N 0.605 109.426 108.800 0.035 0.000 2.645 209 G HA2 0.550 4.509 3.960 -0.000 0.000 0.292 209 G HA3 0.550 4.509 3.960 -0.000 0.000 0.292 209 G C -0.046 174.867 174.900 0.021 0.000 1.415 209 G CA -0.420 44.692 45.100 0.020 0.000 0.785 209 G HN 0.636 nan 8.290 nan 0.000 0.483 210 T N -2.479 112.087 114.554 0.020 0.000 3.337 210 T HA 0.284 4.634 4.350 -0.000 0.000 0.299 210 T C 0.057 174.774 174.700 0.028 0.000 0.998 210 T CA 0.571 62.693 62.100 0.036 0.000 0.948 210 T CB 0.383 69.277 68.868 0.043 0.000 1.170 210 T HN 0.513 nan 8.240 nan 0.000 0.508 211 D N 0.258 120.654 120.400 -0.006 0.000 2.520 211 D HA 0.067 4.707 4.640 -0.000 0.000 0.223 211 D C 1.318 177.549 176.300 -0.114 0.000 1.186 211 D CA -0.060 53.912 54.000 -0.046 0.000 0.821 211 D CB -0.048 40.720 40.800 -0.053 0.000 1.072 211 D HN 0.268 nan 8.370 nan 0.000 0.518 212 Q N -0.477 119.256 119.800 -0.111 0.000 2.436 212 Q HA 0.178 4.518 4.340 -0.000 0.000 0.209 212 Q C 0.224 175.848 176.000 -0.626 0.000 0.965 212 Q CA 0.860 56.467 55.803 -0.327 0.000 0.910 212 Q CB -0.174 28.362 28.738 -0.337 0.000 0.980 212 Q HN 0.280 nan 8.270 nan 0.000 0.491 213 F N -0.442 119.341 119.950 -0.279 0.000 2.735 213 F HA 0.226 4.753 4.527 -0.000 0.000 0.308 213 F C 1.152 176.726 175.800 -0.378 0.000 1.112 213 F CA -0.555 57.232 58.000 -0.356 0.000 1.235 213 F CB 0.437 39.155 39.000 -0.471 0.000 1.027 213 F HN -0.020 nan 8.300 nan 0.000 0.528 214 K N 0.307 120.597 120.400 -0.183 0.000 2.280 214 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 214 K C 0.772 177.257 176.600 -0.192 0.000 1.047 214 K CA 1.669 57.894 56.287 -0.103 0.000 0.942 214 K CB -0.153 32.281 32.500 -0.110 0.000 0.739 214 K HN 0.318 nan 8.250 nan 0.000 0.457 215 E N 1.542 121.516 120.200 -0.377 0.000 2.499 215 E HA 0.052 4.402 4.350 -0.000 0.000 0.199 215 E C -0.673 175.753 176.600 -0.290 0.000 1.016 215 E CA -0.324 55.614 56.400 -0.770 0.000 0.933 215 E CB 0.930 30.083 29.700 -0.912 0.000 1.050 215 E HN 0.222 nan 8.360 nan 0.000 0.462 216 S N 0.694 116.372 115.700 -0.036 0.000 2.510 216 S HA 0.135 4.605 4.470 -0.000 0.000 0.279 216 S C 1.246 175.928 174.600 0.135 0.000 1.284 216 S CA -0.393 57.855 58.200 0.080 0.000 1.059 216 S CB 0.425 63.726 63.200 0.167 0.000 0.901 216 S HN 0.202 nan 8.310 nan 0.000 0.491 217 I N 5.011 125.541 120.570 -0.067 0.000 2.179 217 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 217 I C 2.745 178.670 176.117 -0.321 0.000 1.088 217 I CA 1.259 62.255 61.300 -0.507 0.000 1.357 217 I CB -0.240 37.238 38.000 -0.870 0.000 1.051 217 I HN 0.703 nan 8.210 nan 0.000 0.409 218 R N -0.509 119.901 120.500 -0.151 0.000 2.091 218 R HA -0.243 4.097 4.340 -0.000 0.000 0.238 218 R C 2.367 178.693 176.300 0.045 0.000 1.136 218 R CA 1.832 57.900 56.100 -0.054 0.000 0.959 218 R CB -0.685 29.597 30.300 -0.030 0.000 0.856 218 R HN 0.444 nan 8.270 nan 0.000 0.437 219 H N 1.096 120.177 119.070 0.019 0.000 2.293 219 H HA -0.048 4.508 4.556 -0.000 0.000 0.300 219 H C 1.796 177.191 175.328 0.111 0.000 1.082 219 H CA 1.901 57.985 56.048 0.060 0.000 1.308 219 H CB -0.081 29.747 29.762 0.110 0.000 1.375 219 H HN 0.130 nan 8.280 nan 0.000 0.495 220 N N 0.073 118.891 118.700 0.197 0.000 2.188 220 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 220 N C 2.041 177.701 175.510 0.249 0.000 1.018 220 N CA 0.968 54.169 53.050 0.252 0.000 0.858 220 N CB -0.257 38.590 38.487 0.600 0.000 0.989 220 N HN 0.285 nan 8.380 nan 0.000 0.426 221 L N 1.495 122.874 121.223 0.260 0.000 1.997 221 L HA -0.176 4.164 4.340 -0.000 0.000 0.216 221 L C 2.178 179.106 176.870 0.098 0.000 1.074 221 L CA 1.499 56.487 54.840 0.247 0.000 0.763 221 L CB -0.657 41.487 42.059 0.141 0.000 0.890 221 L HN -0.098 nan 8.230 nan 0.000 0.434 222 V N -0.982 118.940 119.914 0.013 0.000 2.323 222 V HA -0.241 3.879 4.120 -0.000 0.000 0.244 222 V C 2.396 178.420 176.094 -0.115 0.000 1.041 222 V CA 1.557 63.830 62.300 -0.044 0.000 1.025 222 V CB -0.670 31.103 31.823 -0.082 0.000 0.656 222 V HN 0.504 nan 8.190 nan 0.000 0.451 223 L N 1.130 122.248 121.223 -0.176 0.000 1.989 223 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 223 L C 2.230 179.033 176.870 -0.112 0.000 1.071 223 L CA 2.122 56.850 54.840 -0.187 0.000 0.749 223 L CB -1.052 40.855 42.059 -0.253 0.000 0.890 223 L HN 0.324 nan 8.230 nan 0.000 0.431 224 N N -0.050 118.635 118.700 -0.025 0.000 2.069 224 N HA -0.227 4.513 4.740 -0.000 0.000 0.191 224 N C 1.869 177.361 175.510 -0.029 0.000 1.031 224 N CA 1.529 54.583 53.050 0.007 0.000 0.852 224 N CB -0.396 38.127 38.487 0.060 0.000 1.018 224 N HN 0.296 nan 8.380 nan 0.000 0.423 225 K N 1.277 121.659 120.400 -0.030 0.000 2.026 225 K HA 0.060 4.380 4.320 -0.000 0.000 0.208 225 K C 1.969 178.519 176.600 -0.084 0.000 1.048 225 K CA 0.906 57.172 56.287 -0.034 0.000 0.929 225 K CB -0.442 32.058 32.500 0.000 0.000 0.713 225 K HN 0.140 nan 8.250 nan 0.000 0.439 226 L N -0.012 121.086 121.223 -0.209 0.000 2.093 226 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 226 L C 2.205 178.857 176.870 -0.363 0.000 1.085 226 L CA 1.477 56.073 54.840 -0.407 0.000 0.755 226 L CB -0.702 40.722 42.059 -1.058 0.000 0.904 226 L HN 0.228 nan 8.230 nan 0.000 0.435 227 T N -0.677 113.712 114.554 -0.275 0.000 2.684 227 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 227 T C 1.784 176.525 174.700 0.068 0.000 1.036 227 T CA 1.850 63.962 62.100 0.019 0.000 1.148 227 T CB -0.135 68.763 68.868 0.051 0.000 0.863 227 T HN 0.428 nan 8.240 nan 0.000 0.436 228 E N 0.630 120.836 120.200 0.010 0.000 2.047 228 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 228 E C 2.108 178.705 176.600 -0.006 0.000 0.987 228 E CA 0.921 57.325 56.400 0.007 0.000 0.799 228 E CB 0.010 29.700 29.700 -0.017 0.000 0.752 228 E HN 0.364 nan 8.360 nan 0.000 0.449 229 E N -0.264 119.916 120.200 -0.032 0.000 2.153 229 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 229 E C 0.830 177.277 176.600 -0.255 0.000 0.988 229 E CA 1.002 57.314 56.400 -0.146 0.000 0.811 229 E CB -0.085 29.501 29.700 -0.189 0.000 0.746 229 E HN 0.485 nan 8.360 nan 0.000 0.466 230 Y N 0.341 120.672 120.300 0.053 0.000 2.720 230 Y HA 0.168 4.718 4.550 -0.000 0.000 0.277 230 Y C 0.550 176.514 175.900 0.108 0.000 1.144 230 Y CA -0.440 57.732 58.100 0.120 0.000 1.221 230 Y CB 0.452 39.082 38.460 0.283 0.000 1.163 230 Y HN -0.343 nan 8.280 nan 0.000 0.537 231 K N 0.784 121.273 120.400 0.148 0.000 2.491 231 K HA 0.027 4.347 4.320 -0.000 0.000 0.279 231 K C 1.124 177.782 176.600 0.098 0.000 1.026 231 K CA 1.246 57.599 56.287 0.111 0.000 1.070 231 K CB 0.291 32.824 32.500 0.055 0.000 0.887 231 K HN 0.709 nan 8.250 nan 0.000 0.481 232 G N 3.244 112.103 108.800 0.099 0.000 2.166 232 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 232 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 232 G C 0.605 175.562 174.900 0.095 0.000 0.986 232 G CA 0.937 46.085 45.100 0.080 0.000 0.683 232 G HN 0.735 nan 8.290 nan 0.000 0.527 233 Q N -1.773 118.112 119.800 0.141 0.000 2.577 233 Q HA 0.245 4.584 4.340 -0.000 0.000 0.242 233 Q C 1.099 177.192 176.000 0.156 0.000 0.818 233 Q CA 0.050 55.948 55.803 0.159 0.000 0.962 233 Q CB 1.067 29.934 28.738 0.215 0.000 1.272 233 Q HN 0.465 nan 8.270 nan 0.000 0.593 234 R N 0.693 121.301 120.500 0.180 0.000 2.698 234 R HA 0.375 4.715 4.340 -0.000 0.000 0.275 234 R C -1.668 174.667 176.300 0.058 0.000 1.001 234 R CA -0.709 55.408 56.100 0.029 0.000 0.896 234 R CB 1.770 31.894 30.300 -0.293 0.000 1.218 234 R HN -0.027 nan 8.270 nan 0.000 0.462 235 D N 1.733 122.094 120.400 -0.066 0.000 2.177 235 D HA 0.339 4.979 4.640 -0.000 0.000 0.247 235 D C -0.705 175.452 176.300 -0.239 0.000 1.063 235 D CA 0.164 54.154 54.000 -0.016 0.000 0.867 235 D CB 1.032 41.828 40.800 -0.005 0.000 1.168 235 D HN 0.134 nan 8.370 nan 0.000 0.445 236 F N 0.973 120.926 119.950 0.005 0.000 2.492 236 F HA 0.391 4.918 4.527 -0.000 0.000 0.327 236 F C 0.756 176.567 175.800 0.019 0.000 1.079 236 F CA -0.652 57.344 58.000 -0.007 0.000 0.967 236 F CB 1.644 40.633 39.000 -0.019 0.000 1.169 236 F HN 0.211 nan 8.300 nan 0.000 0.472 237 Q N 0.033 119.940 119.800 0.177 0.000 2.707 237 Q HA 0.350 4.690 4.340 -0.000 0.000 0.307 237 Q C -1.502 174.606 176.000 0.180 0.000 0.934 237 Q CA -1.294 54.600 55.803 0.152 0.000 0.753 237 Q CB 1.722 30.517 28.738 0.095 0.000 1.478 237 Q HN 0.623 nan 8.270 nan 0.000 0.458 238 Q N 0.889 120.819 119.800 0.217 0.000 2.364 238 Q HA 0.225 4.565 4.340 -0.000 0.000 0.267 238 Q C -0.556 175.514 176.000 0.117 0.000 0.999 238 Q CA -0.206 55.738 55.803 0.236 0.000 0.886 238 Q CB 0.520 29.364 28.738 0.176 0.000 1.243 238 Q HN 0.579 nan 8.270 nan 0.000 0.415 239 I N 6.603 127.221 120.570 0.080 0.000 2.741 239 I HA -0.046 4.124 4.170 -0.000 0.000 0.288 239 I C -1.964 174.173 176.117 0.033 0.000 1.192 239 I CA -1.423 59.900 61.300 0.039 0.000 1.426 239 I CB 0.183 38.174 38.000 -0.015 0.000 1.367 239 I HN 0.473 nan 8.210 nan 0.000 0.563 240 P HA 0.205 nan 4.420 nan 0.000 0.267 240 P C -0.912 176.386 177.300 -0.004 0.000 1.209 240 P CA 0.172 63.279 63.100 0.011 0.000 0.763 240 P CB 0.442 32.136 31.700 -0.010 0.000 0.816 241 L N 2.371 123.602 121.223 0.013 0.000 2.386 241 L HA 0.626 4.966 4.340 -0.000 0.000 0.271 241 L C 0.294 177.163 176.870 -0.002 0.000 0.993 241 L CA -1.180 53.666 54.840 0.010 0.000 0.819 241 L CB 2.114 44.248 42.059 0.125 0.000 1.294 241 L HN 0.251 nan 8.230 nan 0.000 0.414 242 A N 3.190 125.970 122.820 -0.067 0.000 2.539 242 A HA 0.755 5.075 4.320 -0.000 0.000 0.306 242 A C 0.023 177.639 177.584 0.053 0.000 1.392 242 A CA 0.110 52.153 52.037 0.010 0.000 1.060 242 A CB -0.316 18.644 19.000 -0.066 0.000 1.134 242 A HN 0.804 nan 8.150 nan 0.000 0.542 243 A N 2.027 124.844 122.820 -0.004 0.000 2.590 243 A HA 0.704 5.024 4.320 -0.000 0.000 0.296 243 A C -0.518 176.954 177.584 -0.187 0.000 1.050 243 A CA -0.471 51.456 52.037 -0.183 0.000 0.697 243 A CB 0.694 19.397 19.000 -0.495 0.000 1.277 243 A HN 0.695 nan 8.150 nan 0.000 0.411 244 T N 1.590 116.007 114.554 -0.229 0.000 2.840 244 T HA 0.476 4.826 4.350 -0.000 0.000 0.287 244 T C -0.015 174.543 174.700 -0.237 0.000 0.991 244 T CA -0.443 61.552 62.100 -0.174 0.000 0.964 244 T CB 1.177 69.998 68.868 -0.078 0.000 0.954 244 T HN 0.735 nan 8.240 nan 0.000 0.438 245 R N 2.375 122.718 120.500 -0.262 0.000 2.442 245 R HA 0.212 4.552 4.340 -0.000 0.000 0.291 245 R C 0.739 176.959 176.300 -0.133 0.000 1.069 245 R CA -0.281 55.665 56.100 -0.257 0.000 1.022 245 R CB 0.378 30.485 30.300 -0.321 0.000 0.976 245 R HN 0.433 nan 8.270 nan 0.000 0.443 246 R N 1.142 121.611 120.500 -0.052 0.000 2.250 246 R HA 0.131 4.471 4.340 -0.000 0.000 0.194 246 R C 0.252 176.526 176.300 -0.042 0.000 0.927 246 R CA 0.655 56.736 56.100 -0.031 0.000 1.052 246 R CB 0.430 30.727 30.300 -0.004 0.000 1.055 246 R HN 0.767 nan 8.270 nan 0.000 0.537 247 S N -1.113 114.578 115.700 -0.015 0.000 2.672 247 S HA 0.392 4.862 4.470 -0.000 0.000 0.271 247 S C -2.633 171.939 174.600 -0.046 0.000 1.171 247 S CA -1.040 57.145 58.200 -0.024 0.000 0.817 247 S CB 2.173 65.378 63.200 0.009 0.000 1.150 247 S HN -0.248 nan 8.310 nan 0.000 0.478 248 P HA 0.098 nan 4.420 nan 0.000 0.230 248 P C 0.923 178.197 177.300 -0.043 0.000 1.158 248 P CA 1.312 64.374 63.100 -0.063 0.000 0.769 248 P CB -0.214 31.465 31.700 -0.035 0.000 0.807 249 T N -6.584 107.976 114.554 0.010 0.000 3.111 249 T HA 0.293 4.643 4.350 -0.000 0.000 0.284 249 T C -0.300 174.448 174.700 0.080 0.000 0.983 249 T CA -0.336 61.786 62.100 0.038 0.000 0.900 249 T CB -0.598 68.311 68.868 0.068 0.000 1.132 249 T HN -0.137 nan 8.240 nan 0.000 0.531 250 F N 1.735 121.629 119.950 -0.094 0.000 2.562 250 F HA 0.669 5.196 4.527 -0.000 0.000 0.319 250 F C -1.423 174.253 175.800 -0.207 0.000 1.154 250 F CA -1.211 56.729 58.000 -0.099 0.000 0.931 250 F CB 1.977 40.934 39.000 -0.073 0.000 1.198 250 F HN -0.102 nan 8.300 nan 0.000 0.444 251 V N 5.412 125.027 119.914 -0.499 0.000 2.384 251 V HA 0.268 4.388 4.120 -0.000 0.000 0.287 251 V C -0.295 175.334 176.094 -0.776 0.000 1.020 251 V CA -0.827 61.082 62.300 -0.652 0.000 0.850 251 V CB 1.601 32.840 31.823 -0.973 0.000 0.987 251 V HN 0.708 nan 8.190 nan 0.000 0.436 252 E N 4.552 124.545 120.200 -0.345 0.000 2.003 252 E HA 0.159 4.509 4.350 -0.000 0.000 0.279 252 E C -1.088 175.330 176.600 -0.303 0.000 1.132 252 E CA -0.499 55.821 56.400 -0.132 0.000 0.888 252 E CB 0.459 30.228 29.700 0.116 0.000 1.056 252 E HN 0.624 nan 8.360 nan 0.000 0.399 253 W N 2.837 124.072 121.300 -0.108 0.000 2.218 253 W HA 0.162 4.822 4.660 -0.000 0.000 0.326 253 W C 0.647 177.215 176.519 0.082 0.000 1.276 253 W CA -0.572 56.679 57.345 -0.158 0.000 1.210 253 W CB 1.008 30.135 29.460 -0.555 0.000 1.143 253 W HN 0.330 nan 8.180 nan 0.000 0.563 254 S N 1.475 117.405 115.700 0.383 0.000 2.624 254 S HA 0.627 5.097 4.470 -0.000 0.000 0.263 254 S C 0.090 175.147 174.600 0.761 0.000 1.287 254 S CA -0.499 57.996 58.200 0.491 0.000 0.990 254 S CB 1.115 64.603 63.200 0.480 0.000 0.950 254 S HN 0.518 nan 8.310 nan 0.000 0.561 255 S N -0.666 115.417 115.700 0.639 0.000 2.683 255 S HA 0.652 5.122 4.470 -0.000 0.000 0.269 255 S C 0.723 175.520 174.600 0.328 0.000 1.165 255 S CA -0.342 58.163 58.200 0.509 0.000 0.840 255 S CB 0.451 63.872 63.200 0.368 0.000 1.169 255 S HN 0.757 nan 8.310 nan 0.000 0.490 256 A N 1.799 124.712 122.820 0.155 0.000 1.903 256 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 256 A C 2.029 179.666 177.584 0.089 0.000 1.191 256 A CA 2.358 54.445 52.037 0.083 0.000 0.638 256 A CB -1.687 17.337 19.000 0.040 0.000 0.823 256 A HN 0.896 nan 8.150 nan 0.000 0.451 257 N N -0.674 118.085 118.700 0.098 0.000 2.137 257 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 257 N C 1.572 177.111 175.510 0.048 0.000 1.017 257 N CA 2.178 55.259 53.050 0.052 0.000 0.859 257 N CB -0.272 38.258 38.487 0.073 0.000 1.002 257 N HN 0.507 nan 8.380 nan 0.000 0.428 258 T N 0.445 115.077 114.554 0.130 0.000 2.746 258 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 258 T C 2.087 176.827 174.700 0.068 0.000 1.039 258 T CA 1.171 63.353 62.100 0.137 0.000 1.142 258 T CB -0.227 68.800 68.868 0.264 0.000 0.866 258 T HN 0.067 nan 8.240 nan 0.000 0.444 259 V N -0.460 119.479 119.914 0.042 0.000 2.379 259 V HA 0.152 4.272 4.120 -0.000 0.000 0.245 259 V C 0.494 176.550 176.094 -0.064 0.000 1.044 259 V CA 0.973 63.217 62.300 -0.094 0.000 1.036 259 V CB -0.385 31.333 31.823 -0.176 0.000 0.664 259 V HN 0.484 nan 8.190 nan 0.000 0.453 260 F N 0.870 120.697 119.950 -0.205 0.000 2.623 260 F HA 0.364 4.891 4.527 -0.000 0.000 0.323 260 F C 0.194 175.881 175.800 -0.190 0.000 1.158 260 F CA -1.600 56.250 58.000 -0.250 0.000 1.030 260 F CB 1.352 40.149 39.000 -0.338 0.000 1.280 260 F HN 0.142 nan 8.300 nan 0.000 0.474 261 D N 4.825 124.758 120.400 -0.779 0.000 2.371 261 D HA -0.066 4.574 4.640 -0.000 0.000 0.221 261 D C 1.220 177.231 176.300 -0.483 0.000 0.986 261 D CA 1.182 54.881 54.000 -0.502 0.000 0.899 261 D CB -0.034 40.533 40.800 -0.387 0.000 0.902 261 D HN 0.695 nan 8.370 nan 0.000 0.530 262 L N -1.955 118.796 121.223 -0.787 0.000 4.696 262 L HA -0.236 4.104 4.340 -0.000 0.000 0.425 262 L C -0.215 176.626 176.870 -0.048 0.000 1.115 262 L CA 0.501 55.193 54.840 -0.247 0.000 0.996 262 L CB -1.344 40.728 42.059 0.022 0.000 2.077 262 L HN 0.213 nan 8.230 nan 0.000 0.792 263 Q N 0.919 120.583 119.800 -0.228 0.000 2.314 263 Q HA 0.252 4.592 4.340 -0.000 0.000 0.258 263 Q C 0.341 176.401 176.000 0.101 0.000 0.954 263 Q CA -0.166 55.595 55.803 -0.070 0.000 0.890 263 Q CB 0.772 29.431 28.738 -0.132 0.000 1.210 263 Q HN 0.122 nan 8.270 nan 0.000 0.410 264 N N 2.142 120.902 118.700 0.100 0.000 2.454 264 N HA 0.061 4.801 4.740 -0.000 0.000 0.254 264 N C -0.275 175.299 175.510 0.108 0.000 1.228 264 N CA 0.451 53.564 53.050 0.105 0.000 0.900 264 N CB 0.588 39.044 38.487 -0.052 0.000 1.089 264 N HN 0.253 nan 8.380 nan 0.000 0.449 265 R N 1.574 122.169 120.500 0.159 0.000 2.807 265 R HA 0.509 4.849 4.340 -0.000 0.000 0.276 265 R C -2.503 173.860 176.300 0.104 0.000 0.979 265 R CA -1.651 54.530 56.100 0.135 0.000 0.928 265 R CB 1.584 31.995 30.300 0.185 0.000 1.191 265 R HN 0.341 nan 8.270 nan 0.000 0.471 266 P HA 0.133 nan 4.420 nan 0.000 0.275 266 P C -1.321 176.033 177.300 0.091 0.000 1.228 266 P CA -0.388 62.802 63.100 0.151 0.000 0.786 266 P CB 0.667 32.507 31.700 0.234 0.000 0.927 267 N N -1.239 117.502 118.700 0.069 0.000 2.774 267 N HA 0.285 5.025 4.740 -0.000 0.000 0.264 267 N C 0.515 176.039 175.510 0.024 0.000 1.415 267 N CA -0.795 52.276 53.050 0.035 0.000 0.815 267 N CB -0.470 38.025 38.487 0.014 0.000 1.514 267 N HN 0.018 nan 8.380 nan 0.000 0.523 268 T N -0.748 113.811 114.554 0.009 0.000 2.699 268 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 268 T C 0.412 175.111 174.700 -0.002 0.000 1.036 268 T CA 1.735 63.836 62.100 0.002 0.000 1.147 268 T CB -0.459 68.407 68.868 -0.005 0.000 0.862 268 T HN 0.529 nan 8.240 nan 0.000 0.446 269 D N 0.719 121.115 120.400 -0.007 0.000 2.289 269 D HA 0.184 4.824 4.640 -0.000 0.000 0.207 269 D C 0.824 177.123 176.300 -0.002 0.000 0.966 269 D CA 0.453 54.446 54.000 -0.012 0.000 0.868 269 D CB 0.202 40.986 40.800 -0.028 0.000 0.943 269 D HN 0.381 nan 8.370 nan 0.000 0.514 270 A N 1.303 124.131 122.820 0.014 0.000 3.370 270 A HA 0.300 4.620 4.320 -0.000 0.000 0.295 270 A C -1.954 175.672 177.584 0.070 0.000 1.030 270 A CA -0.819 51.241 52.037 0.038 0.000 0.883 270 A CB 0.926 19.951 19.000 0.041 0.000 1.191 270 A HN -0.157 nan 8.150 nan 0.000 0.507 271 P HA -0.102 nan 4.420 nan 0.000 0.226 271 P C 0.616 177.977 177.300 0.103 0.000 1.153 271 P CA 1.187 64.321 63.100 0.057 0.000 0.777 271 P CB 0.427 32.129 31.700 0.002 0.000 0.794 272 E N -0.550 119.725 120.200 0.124 0.000 2.501 272 E HA 0.099 4.449 4.350 -0.000 0.000 0.201 272 E C 0.168 177.020 176.600 0.421 0.000 1.016 272 E CA -0.085 56.452 56.400 0.229 0.000 0.920 272 E CB 0.382 30.120 29.700 0.063 0.000 1.023 272 E HN 0.451 nan 8.360 nan 0.000 0.474 273 E N 0.858 121.226 120.200 0.281 0.000 2.250 273 E HA 0.394 4.744 4.350 -0.000 0.000 0.269 273 E C -0.321 176.374 176.600 0.159 0.000 1.018 273 E CA -0.405 56.116 56.400 0.201 0.000 0.873 273 E CB 1.381 31.176 29.700 0.158 0.000 1.134 273 E HN -0.103 nan 8.360 nan 0.000 0.403 274 R N 1.876 122.427 120.500 0.085 0.000 2.483 274 R HA 0.453 4.793 4.340 -0.000 0.000 0.303 274 R C -1.545 174.856 176.300 0.168 0.000 0.987 274 R CA -0.580 55.534 56.100 0.024 0.000 0.881 274 R CB 1.065 31.256 30.300 -0.182 0.000 1.177 274 R HN 0.396 nan 8.270 nan 0.000 0.451 275 F N 2.235 122.180 119.950 -0.008 0.000 2.622 275 F HA 0.420 4.947 4.527 -0.000 0.000 0.318 275 F C -1.736 174.002 175.800 -0.104 0.000 1.135 275 F CA -0.708 57.278 58.000 -0.024 0.000 1.015 275 F CB 1.933 40.993 39.000 0.101 0.000 1.275 275 F HN 0.403 nan 8.300 nan 0.000 0.457 276 N N 4.651 122.696 118.700 -1.092 0.000 2.296 276 N HA 0.606 5.346 4.740 -0.000 0.000 0.294 276 N C -1.993 172.499 175.510 -1.698 0.000 1.033 276 N CA -0.640 51.699 53.050 -1.186 0.000 0.839 276 N CB 2.362 40.302 38.487 -0.912 0.000 1.395 276 N HN 0.576 nan 8.380 nan 0.000 0.479 277 L N 2.452 122.906 121.223 -1.281 0.000 2.282 277 L HA 0.629 4.969 4.340 -0.000 0.000 0.288 277 L C -1.626 174.690 176.870 -0.923 0.000 1.033 277 L CA -0.287 54.035 54.840 -0.863 0.000 0.807 277 L CB 0.133 42.042 42.059 -0.251 0.000 1.209 277 L HN 0.460 nan 8.230 nan 0.000 0.423 278 F N 6.580 126.283 119.950 -0.412 0.000 2.359 278 F HA 0.537 5.064 4.527 -0.000 0.000 0.370 278 F C -2.098 173.657 175.800 -0.074 0.000 1.077 278 F CA -2.098 55.759 58.000 -0.238 0.000 1.136 278 F CB 0.617 39.445 39.000 -0.287 0.000 1.387 278 F HN 0.420 nan 8.300 nan 0.000 0.468 279 P HA 0.300 nan 4.420 nan 0.000 0.276 279 P C -0.018 177.345 177.300 0.105 0.000 1.261 279 P CA -0.274 62.874 63.100 0.080 0.000 0.800 279 P CB 1.002 32.727 31.700 0.041 0.000 1.066 280 A N -1.036 121.829 122.820 0.076 0.000 2.745 280 A HA -0.101 4.219 4.320 -0.000 0.000 0.296 280 A C -0.060 177.561 177.584 0.061 0.000 1.500 280 A CA 0.736 52.811 52.037 0.062 0.000 0.766 280 A CB -2.414 16.620 19.000 0.057 0.000 1.030 280 A HN 0.256 nan 8.150 nan 0.000 0.489 281 V N -0.166 119.802 119.914 0.090 0.000 2.376 281 V HA 0.648 4.768 4.120 -0.000 0.000 0.287 281 V C 0.658 176.770 176.094 0.030 0.000 1.015 281 V CA -0.350 62.001 62.300 0.084 0.000 0.834 281 V CB 1.479 33.438 31.823 0.226 0.000 1.001 281 V HN 1.474 nan 8.190 nan 0.000 0.428 282 A N 4.316 127.132 122.820 -0.006 0.000 2.396 282 A HA 0.374 4.693 4.320 -0.000 0.000 0.279 282 A C 0.224 177.801 177.584 -0.013 0.000 1.165 282 A CA -0.095 51.933 52.037 -0.014 0.000 0.824 282 A CB -0.300 18.749 19.000 0.082 0.000 1.100 282 A HN 0.874 nan 8.150 nan 0.000 0.516 283 C N 3.139 122.404 119.300 -0.059 0.000 2.394 283 C HA 0.330 4.790 4.460 -0.000 0.000 0.362 283 C C 1.373 176.340 174.990 -0.038 0.000 1.268 283 C CA -0.310 58.662 59.018 -0.077 0.000 1.828 283 C CB -0.457 27.226 27.740 -0.096 0.000 2.442 283 C HN 1.001 nan 8.230 nan 0.000 0.549 284 E N 1.242 121.451 120.200 0.016 0.000 2.290 284 E HA 0.090 4.440 4.350 -0.000 0.000 0.199 284 E C 0.267 176.846 176.600 -0.036 0.000 0.912 284 E CA 0.364 56.769 56.400 0.008 0.000 0.924 284 E CB 0.448 30.185 29.700 0.062 0.000 0.901 284 E HN 0.778 nan 8.360 nan 0.000 0.487 285 R N 0.015 120.508 120.500 -0.012 0.000 2.664 285 R HA 0.403 4.743 4.340 -0.000 0.000 0.266 285 R C -0.857 175.424 176.300 -0.031 0.000 1.046 285 R CA -0.817 55.258 56.100 -0.040 0.000 0.885 285 R CB 0.978 31.235 30.300 -0.072 0.000 1.254 285 R HN -0.084 nan 8.270 nan 0.000 0.465 286 V N -0.541 119.339 119.914 -0.057 0.000 2.532 286 V HA 0.683 4.803 4.120 -0.000 0.000 0.295 286 V C -0.001 176.043 176.094 -0.083 0.000 1.041 286 V CA -0.871 61.362 62.300 -0.112 0.000 0.926 286 V CB 1.707 33.421 31.823 -0.182 0.000 0.992 286 V HN 0.515 nan 8.190 nan 0.000 0.457 287 V N 5.115 124.963 119.914 -0.110 0.000 2.394 287 V HA 0.504 4.624 4.120 -0.000 0.000 0.282 287 V C 0.464 176.533 176.094 -0.042 0.000 1.031 287 V CA -0.476 61.787 62.300 -0.062 0.000 0.881 287 V CB 1.278 33.081 31.823 -0.034 0.000 0.982 287 V HN 0.956 nan 8.190 nan 0.000 0.451 288 R N 3.580 124.074 120.500 -0.009 0.000 2.486 288 R HA 0.386 4.726 4.340 -0.000 0.000 0.286 288 R C 0.129 176.461 176.300 0.053 0.000 0.999 288 R CA -0.699 55.456 56.100 0.090 0.000 0.993 288 R CB 0.921 31.263 30.300 0.071 0.000 1.084 288 R HN 0.862 nan 8.270 nan 0.000 0.487 289 N N 1.303 120.045 118.700 0.070 0.000 2.317 289 N HA -0.002 4.738 4.740 -0.000 0.000 0.245 289 N C 0.574 176.077 175.510 -0.012 0.000 1.294 289 N CA 0.120 53.180 53.050 0.017 0.000 0.924 289 N CB 0.401 38.893 38.487 0.009 0.000 1.186 289 N HN 0.577 nan 8.380 nan 0.000 0.495 290 A N 0.177 122.984 122.820 -0.022 0.000 1.972 290 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 290 A C 2.196 179.750 177.584 -0.050 0.000 1.169 290 A CA 0.929 52.947 52.037 -0.032 0.000 0.635 290 A CB -0.813 18.172 19.000 -0.025 0.000 0.810 290 A HN 0.646 nan 8.150 nan 0.000 0.446 291 L N -0.861 120.322 121.223 -0.066 0.000 2.552 291 L HA -0.030 4.310 4.340 -0.000 0.000 0.227 291 L C -0.002 176.769 176.870 -0.166 0.000 1.146 291 L CA 0.000 54.783 54.840 -0.095 0.000 0.858 291 L CB -0.422 41.582 42.059 -0.092 0.000 0.969 291 L HN 0.404 nan 8.230 nan 0.000 0.451 292 N N 0.247 118.834 118.700 -0.189 0.000 2.714 292 N HA -0.177 4.563 4.740 -0.000 0.000 0.253 292 N C 0.807 175.725 175.510 -0.987 0.000 1.024 292 N CA 1.029 53.856 53.050 -0.371 0.000 0.726 292 N CB -1.119 37.296 38.487 -0.119 0.000 0.908 292 N HN 0.527 nan 8.380 nan 0.000 0.542 293 S N -2.112 113.122 115.700 -0.776 0.000 2.687 293 S HA 0.258 4.728 4.470 -0.000 0.000 0.247 293 S C 0.244 174.607 174.600 -0.396 0.000 1.050 293 S CA -0.233 57.584 58.200 -0.639 0.000 1.063 293 S CB 1.576 64.619 63.200 -0.261 0.000 1.039 293 S HN 0.393 nan 8.310 nan 0.000 0.580 294 E N 0.423 120.510 120.200 -0.188 0.000 2.363 294 E HA 0.419 4.769 4.350 -0.000 0.000 0.281 294 E C -1.718 175.062 176.600 0.300 0.000 0.953 294 E CA -0.820 55.675 56.400 0.160 0.000 0.778 294 E CB 1.313 31.075 29.700 0.103 0.000 1.220 294 E HN 0.090 nan 8.360 nan 0.000 0.431 295 I N 3.547 124.270 120.570 0.255 0.000 2.396 295 I HA 0.141 4.311 4.170 -0.000 0.000 0.292 295 I C 0.882 176.952 176.117 -0.079 0.000 0.999 295 I CA 0.065 61.344 61.300 -0.036 0.000 1.310 295 I CB 1.269 39.011 38.000 -0.431 0.000 1.404 295 I HN 0.690 nan 8.210 nan 0.000 0.496 296 E N 3.096 123.243 120.200 -0.088 0.000 2.389 296 E HA 0.096 4.446 4.350 -0.000 0.000 0.199 296 E C 0.206 176.842 176.600 0.060 0.000 0.978 296 E CA 0.354 56.773 56.400 0.033 0.000 0.912 296 E CB 0.578 30.301 29.700 0.039 0.000 0.907 296 E HN 0.718 nan 8.360 nan 0.000 0.494 297 S N -0.415 115.232 115.700 -0.088 0.000 2.615 297 S HA 0.460 4.930 4.470 -0.000 0.000 0.268 297 S C -1.529 173.037 174.600 -0.056 0.000 1.146 297 S CA -1.049 57.184 58.200 0.055 0.000 0.818 297 S CB 1.227 64.481 63.200 0.090 0.000 1.111 297 S HN 0.004 nan 8.310 nan 0.000 0.465 298 L N 2.185 123.486 121.223 0.130 0.000 2.280 298 L HA 0.590 4.930 4.340 -0.000 0.000 0.287 298 L C -0.517 176.350 176.870 -0.006 0.000 1.023 298 L CA -0.166 54.701 54.840 0.045 0.000 0.819 298 L CB 0.723 42.837 42.059 0.091 0.000 1.212 298 L HN 0.996 nan 8.230 nan 0.000 0.420 299 H N 5.454 124.480 119.070 -0.073 0.000 2.742 299 H HA 0.552 5.108 4.556 -0.000 0.000 0.302 299 H C -0.330 174.938 175.328 -0.100 0.000 1.069 299 H CA -0.160 55.848 56.048 -0.068 0.000 1.446 299 H CB 0.567 30.293 29.762 -0.060 0.000 1.462 299 H HN 0.669 nan 8.280 nan 0.000 0.499 300 I N 1.920 122.253 120.570 -0.396 0.000 2.797 300 I HA 0.407 4.577 4.170 -0.000 0.000 0.307 300 I C -1.153 174.894 176.117 -0.116 0.000 1.033 300 I CA -0.994 60.171 61.300 -0.225 0.000 1.071 300 I CB 2.404 40.172 38.000 -0.386 0.000 1.255 300 I HN 0.655 nan 8.210 nan 0.000 0.445 301 H N 3.644 122.671 119.070 -0.072 0.000 2.906 301 H HA 0.223 4.779 4.556 -0.000 0.000 0.324 301 H C -1.513 173.833 175.328 0.030 0.000 0.973 301 H CA -0.662 55.376 56.048 -0.017 0.000 1.321 301 H CB 1.507 31.297 29.762 0.047 0.000 1.535 301 H HN 0.789 nan 8.280 nan 0.000 0.518 302 D N 5.661 126.003 120.400 -0.097 0.000 2.339 302 D HA -0.001 4.639 4.640 -0.000 0.000 0.256 302 D C 1.187 177.284 176.300 -0.338 0.000 1.214 302 D CA -0.087 53.855 54.000 -0.096 0.000 0.877 302 D CB 0.981 41.848 40.800 0.111 0.000 1.111 302 D HN 0.679 nan 8.370 nan 0.000 0.478 303 L N 4.187 125.251 121.223 -0.265 0.000 2.217 303 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 303 L C 1.948 178.760 176.870 -0.096 0.000 1.107 303 L CA 0.291 54.989 54.840 -0.237 0.000 0.783 303 L CB -0.097 41.925 42.059 -0.063 0.000 0.919 303 L HN 0.524 nan 8.230 nan 0.000 0.442 304 I N -0.522 120.026 120.570 -0.037 0.000 2.339 304 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 304 I C 2.767 178.889 176.117 0.009 0.000 1.096 304 I CA 1.683 62.985 61.300 0.004 0.000 1.408 304 I CB -1.270 36.747 38.000 0.029 0.000 1.092 304 I HN 0.275 nan 8.210 nan 0.000 0.423 305 S N 0.404 116.115 115.700 0.018 0.000 2.446 305 S HA 0.113 4.583 4.470 -0.000 0.000 0.225 305 S C 1.850 176.465 174.600 0.025 0.000 1.016 305 S CA 0.901 59.123 58.200 0.036 0.000 0.943 305 S CB 0.063 63.308 63.200 0.076 0.000 0.786 305 S HN 0.593 nan 8.310 nan 0.000 0.508 306 G N 0.882 109.684 108.800 0.003 0.000 2.176 306 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.253 306 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.253 306 G C -0.396 174.580 174.900 0.126 0.000 0.979 306 G CA 0.170 45.328 45.100 0.097 0.000 0.641 306 G HN 0.564 nan 8.290 nan 0.000 0.530 307 D N 0.670 121.070 120.400 0.001 0.000 2.345 307 D HA 0.480 5.120 4.640 -0.000 0.000 0.247 307 D C 0.920 177.036 176.300 -0.307 0.000 1.108 307 D CA 0.146 54.018 54.000 -0.214 0.000 0.894 307 D CB 0.616 41.210 40.800 -0.344 0.000 1.203 307 D HN 0.385 nan 8.370 nan 0.000 0.430 308 R N 1.584 121.792 120.500 -0.485 0.000 2.514 308 R HA 0.589 4.929 4.340 -0.000 0.000 0.301 308 R C -0.703 175.128 176.300 -0.782 0.000 0.962 308 R CA -0.642 55.187 56.100 -0.452 0.000 0.882 308 R CB 1.212 31.407 30.300 -0.174 0.000 1.143 308 R HN 0.275 nan 8.270 nan 0.000 0.452 309 F N -0.007 119.741 119.950 -0.338 0.000 2.613 309 F HA 0.334 4.861 4.527 -0.000 0.000 0.314 309 F C 0.123 175.714 175.800 -0.349 0.000 1.075 309 F CA -0.972 56.870 58.000 -0.263 0.000 0.945 309 F CB 1.942 40.825 39.000 -0.196 0.000 1.310 309 F HN 0.185 nan 8.300 nan 0.000 0.467 310 E N 2.712 122.930 120.200 0.029 0.000 2.145 310 E HA 0.417 4.767 4.350 -0.000 0.000 0.270 310 E C -0.987 175.637 176.600 0.041 0.000 0.906 310 E CA -0.463 55.940 56.400 0.005 0.000 0.761 310 E CB 2.238 31.966 29.700 0.046 0.000 1.116 310 E HN 0.288 nan 8.360 nan 0.000 0.408 311 I N 2.599 123.186 120.570 0.028 0.000 2.412 311 I HA 0.286 4.456 4.170 -0.000 0.000 0.296 311 I C 0.212 176.439 176.117 0.182 0.000 0.987 311 I CA -0.843 60.507 61.300 0.083 0.000 1.180 311 I CB 1.382 39.395 38.000 0.021 0.000 1.340 311 I HN 0.274 nan 8.210 nan 0.000 0.455 312 K N 4.630 125.134 120.400 0.173 0.000 2.182 312 K HA 0.827 5.147 4.320 -0.000 0.000 0.262 312 K C -1.110 175.547 176.600 0.094 0.000 0.957 312 K CA -0.310 56.089 56.287 0.186 0.000 0.842 312 K CB 1.797 34.368 32.500 0.117 0.000 1.099 312 K HN 0.809 nan 8.250 nan 0.000 0.438 313 A N 2.709 125.492 122.820 -0.061 0.000 2.593 313 A HA 0.386 4.706 4.320 -0.000 0.000 0.290 313 A C -0.517 176.925 177.584 -0.237 0.000 1.126 313 A CA -0.664 51.212 52.037 -0.267 0.000 0.695 313 A CB 1.023 19.691 19.000 -0.555 0.000 1.290 313 A HN 0.750 nan 8.150 nan 0.000 0.414 314 D N -0.564 119.748 120.400 -0.147 0.000 2.149 314 D HA 0.111 4.751 4.640 -0.000 0.000 0.201 314 D C 0.298 176.505 176.300 -0.156 0.000 0.972 314 D CA 1.760 55.750 54.000 -0.016 0.000 0.835 314 D CB 0.201 41.045 40.800 0.074 0.000 0.966 314 D HN 0.224 nan 8.370 nan 0.000 0.476 315 V N 0.655 120.321 119.914 -0.415 0.000 2.638 315 V HA 0.274 4.394 4.120 -0.000 0.000 0.306 315 V C -1.309 174.543 176.094 -0.405 0.000 1.052 315 V CA -0.865 61.192 62.300 -0.404 0.000 0.885 315 V CB 1.840 33.287 31.823 -0.627 0.000 0.999 315 V HN -0.062 nan 8.190 nan 0.000 0.424 316 Y N 3.019 123.299 120.300 -0.034 0.000 2.328 316 Y HA 0.703 5.253 4.550 -0.000 0.000 0.336 316 Y C -0.103 175.755 175.900 -0.070 0.000 0.960 316 Y CA -0.942 57.129 58.100 -0.048 0.000 1.134 316 Y CB 2.129 40.567 38.460 -0.038 0.000 1.166 316 Y HN 0.356 nan 8.280 nan 0.000 0.464 317 V N 5.455 125.333 119.914 -0.059 0.000 2.444 317 V HA 0.393 4.513 4.120 -0.000 0.000 0.294 317 V C -0.464 175.502 176.094 -0.214 0.000 1.022 317 V CA -0.944 61.205 62.300 -0.253 0.000 0.850 317 V CB 1.669 33.110 31.823 -0.638 0.000 0.992 317 V HN 0.591 nan 8.190 nan 0.000 0.426 318 L N 5.112 126.210 121.223 -0.208 0.000 2.262 318 L HA 0.541 4.881 4.340 -0.000 0.000 0.288 318 L C 0.437 177.214 176.870 -0.154 0.000 1.035 318 L CA -0.155 54.585 54.840 -0.168 0.000 0.820 318 L CB 1.440 43.380 42.059 -0.198 0.000 1.204 318 L HN 0.822 nan 8.230 nan 0.000 0.424 319 T N -1.651 112.847 114.554 -0.092 0.000 3.624 319 T HA 0.361 4.711 4.350 -0.000 0.000 0.244 319 T C 0.715 175.430 174.700 0.025 0.000 1.063 319 T CA -0.095 61.995 62.100 -0.017 0.000 1.252 319 T CB 1.009 69.874 68.868 -0.005 0.000 1.021 319 T HN 0.528 nan 8.240 nan 0.000 0.590 320 A N 0.794 123.634 122.820 0.034 0.000 2.275 320 A HA 0.757 5.077 4.320 -0.000 0.000 0.212 320 A C 1.408 179.070 177.584 0.130 0.000 1.201 320 A CA 0.126 52.205 52.037 0.069 0.000 0.843 320 A CB -0.729 18.307 19.000 0.060 0.000 0.873 320 A HN 1.705 nan 8.150 nan 0.000 0.492 321 G N -2.609 106.266 108.800 0.126 0.000 2.662 321 G HA2 0.267 4.227 3.960 -0.000 0.000 0.686 321 G HA3 0.267 4.227 3.960 -0.000 0.000 0.686 321 G C 0.727 175.730 174.900 0.173 0.000 1.271 321 G CA -0.294 44.889 45.100 0.138 0.000 0.816 321 G HN 1.265 nan 8.290 nan 0.000 0.608 322 A N -0.425 122.483 122.820 0.147 0.000 1.972 322 A HA 0.229 4.549 4.320 -0.000 0.000 0.219 322 A C 2.608 180.286 177.584 0.156 0.000 1.169 322 A CA 3.142 55.267 52.037 0.146 0.000 0.635 322 A CB -0.290 18.760 19.000 0.083 0.000 0.810 322 A HN 1.565 nan 8.150 nan 0.000 0.446 323 V N -1.133 118.825 119.914 0.074 0.000 2.331 323 V HA -0.170 3.950 4.120 -0.000 0.000 0.242 323 V C 2.204 178.331 176.094 0.055 0.000 1.034 323 V CA 2.054 64.365 62.300 0.019 0.000 1.027 323 V CB -0.958 30.754 31.823 -0.184 0.000 0.667 323 V HN 0.731 nan 8.190 nan 0.000 0.457 324 H N -0.239 118.908 119.070 0.128 0.000 2.470 324 H HA -0.030 4.526 4.556 -0.000 0.000 0.289 324 H C 2.280 177.610 175.328 0.003 0.000 1.033 324 H CA 1.010 57.090 56.048 0.054 0.000 1.331 324 H CB 0.124 29.896 29.762 0.016 0.000 1.414 324 H HN 0.318 nan 8.280 nan 0.000 0.545 325 N N -0.057 118.722 118.700 0.133 0.000 2.069 325 N HA -0.128 4.612 4.740 -0.000 0.000 0.191 325 N C 1.787 177.283 175.510 -0.025 0.000 1.031 325 N CA 1.825 54.875 53.050 0.001 0.000 0.852 325 N CB -0.538 37.911 38.487 -0.063 0.000 1.018 325 N HN 0.325 nan 8.380 nan 0.000 0.423 326 T N 0.802 115.423 114.554 0.112 0.000 2.746 326 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 326 T C 1.853 176.461 174.700 -0.153 0.000 1.039 326 T CA 1.207 63.382 62.100 0.125 0.000 1.142 326 T CB -0.270 68.813 68.868 0.359 0.000 0.866 326 T HN 0.356 nan 8.240 nan 0.000 0.444 327 Q N 0.077 119.701 119.800 -0.294 0.000 2.061 327 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 327 Q C 2.304 178.037 176.000 -0.444 0.000 0.984 327 Q CA 1.225 56.514 55.803 -0.856 0.000 0.846 327 Q CB -0.256 28.296 28.738 -0.311 0.000 0.902 327 Q HN 0.345 nan 8.270 nan 0.000 0.421 328 L N 0.583 121.679 121.223 -0.212 0.000 2.046 328 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 328 L C 2.066 178.853 176.870 -0.137 0.000 1.077 328 L CA 1.557 56.306 54.840 -0.152 0.000 0.747 328 L CB -0.615 41.376 42.059 -0.113 0.000 0.896 328 L HN 0.312 nan 8.230 nan 0.000 0.432 329 L N -1.879 119.248 121.223 -0.161 0.000 2.012 329 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 329 L C 2.420 179.331 176.870 0.068 0.000 1.073 329 L CA 1.151 55.927 54.840 -0.107 0.000 0.748 329 L CB -0.738 41.149 42.059 -0.287 0.000 0.891 329 L HN 0.087 nan 8.230 nan 0.000 0.431 330 V N -0.114 119.762 119.914 -0.062 0.000 2.407 330 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 330 V C 2.121 178.181 176.094 -0.056 0.000 1.055 330 V CA 1.955 64.232 62.300 -0.038 0.000 1.049 330 V CB -0.729 31.024 31.823 -0.117 0.000 0.662 330 V HN 0.478 nan 8.190 nan 0.000 0.455 331 N N 0.081 118.705 118.700 -0.126 0.000 2.453 331 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 331 N C 1.541 177.018 175.510 -0.056 0.000 1.041 331 N CA 1.134 54.127 53.050 -0.095 0.000 0.900 331 N CB -0.057 38.359 38.487 -0.118 0.000 0.961 331 N HN 0.397 nan 8.380 nan 0.000 0.443 332 S N -1.394 114.302 115.700 -0.007 0.000 2.577 332 S HA 0.308 4.778 4.470 -0.000 0.000 0.219 332 S C 1.054 175.620 174.600 -0.057 0.000 0.962 332 S CA 0.245 58.449 58.200 0.007 0.000 0.921 332 S CB 0.407 63.671 63.200 0.108 0.000 0.789 332 S HN 0.525 nan 8.310 nan 0.000 0.497 333 G N 1.270 110.040 108.800 -0.049 0.000 2.143 333 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.249 333 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.249 333 G C -0.033 174.748 174.900 -0.197 0.000 0.981 333 G CA -0.326 44.704 45.100 -0.117 0.000 0.665 333 G HN 0.444 nan 8.290 nan 0.000 0.528 334 F N 0.824 120.742 119.950 -0.052 0.000 2.410 334 F HA 0.507 5.034 4.527 -0.000 0.000 0.334 334 F C 1.686 177.493 175.800 0.011 0.000 1.134 334 F CA 1.089 59.072 58.000 -0.028 0.000 1.227 334 F CB 0.709 39.665 39.000 -0.074 0.000 1.194 334 F HN 0.746 nan 8.300 nan 0.000 0.571 335 G N 1.778 110.723 108.800 0.241 0.000 2.574 335 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.282 335 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.282 335 G C -0.745 174.228 174.900 0.122 0.000 1.257 335 G CA 0.102 45.309 45.100 0.178 0.000 0.956 335 G HN 0.851 nan 8.290 nan 0.000 0.560 336 Q N -1.078 118.800 119.800 0.129 0.000 2.323 336 Q HA 0.631 4.971 4.340 -0.000 0.000 0.271 336 Q C -0.839 175.241 176.000 0.134 0.000 1.048 336 Q CA -1.040 54.819 55.803 0.093 0.000 0.792 336 Q CB 1.721 30.494 28.738 0.057 0.000 1.280 336 Q HN 0.759 nan 8.270 nan 0.000 0.441 337 L N 3.347 124.635 121.223 0.110 0.000 2.417 337 L HA 0.676 5.016 4.340 -0.000 0.000 0.268 337 L C 0.469 177.416 176.870 0.128 0.000 1.158 337 L CA 2.091 57.021 54.840 0.150 0.000 0.819 337 L CB 0.908 43.028 42.059 0.102 0.000 1.112 337 L HN 0.872 nan 8.230 nan 0.000 0.458 338 G N 3.516 112.447 108.800 0.217 0.000 2.728 338 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.294 338 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.294 338 G C -0.435 174.346 174.900 -0.198 0.000 1.342 338 G CA -0.216 44.962 45.100 0.130 0.000 0.866 338 G HN 0.883 nan 8.290 nan 0.000 0.534 339 R N 0.869 121.014 120.500 -0.591 0.000 2.484 339 R HA 0.359 4.699 4.340 -0.000 0.000 0.293 339 R C -1.840 174.009 176.300 -0.751 0.000 1.023 339 R CA -0.622 54.703 56.100 -1.292 0.000 1.037 339 R CB -0.054 29.779 30.300 -0.778 0.000 0.951 339 R HN 0.359 nan 8.270 nan 0.000 0.418 340 P HA -0.111 nan 4.420 nan 0.000 0.264 340 P C -1.270 175.868 177.300 -0.270 0.000 1.179 340 P CA 0.577 63.438 63.100 -0.398 0.000 0.763 340 P CB 0.357 31.847 31.700 -0.350 0.000 0.806 341 N N 2.682 121.285 118.700 -0.162 0.000 2.594 341 N HA 0.180 4.920 4.740 -0.000 0.000 0.280 341 N C -1.979 173.489 175.510 -0.071 0.000 1.156 341 N CA -1.552 51.430 53.050 -0.114 0.000 0.831 341 N CB 1.279 39.705 38.487 -0.102 0.000 1.379 341 N HN 0.154 nan 8.380 nan 0.000 0.536 342 P HA 0.002 nan 4.420 nan 0.000 0.224 342 P C 0.853 178.137 177.300 -0.027 0.000 1.157 342 P CA 0.492 63.570 63.100 -0.038 0.000 0.799 342 P CB 0.211 31.889 31.700 -0.037 0.000 0.809 343 A N -0.281 122.520 122.820 -0.031 0.000 2.276 343 A HA -0.066 4.254 4.320 -0.000 0.000 0.205 343 A C 1.093 178.664 177.584 -0.021 0.000 1.234 343 A CA 0.623 52.646 52.037 -0.024 0.000 0.797 343 A CB -1.194 17.791 19.000 -0.026 0.000 0.769 343 A HN 0.232 nan 8.150 nan 0.000 0.491 344 N N -0.132 118.555 118.700 -0.022 0.000 2.725 344 N HA 0.110 4.850 4.740 -0.000 0.000 0.225 344 N C -3.362 172.141 175.510 -0.011 0.000 1.465 344 N CA -0.544 52.495 53.050 -0.018 0.000 0.830 344 N CB 1.077 39.549 38.487 -0.025 0.000 1.460 344 N HN 0.092 nan 8.380 nan 0.000 0.538 345 P HA 0.312 nan 4.420 nan 0.000 0.275 345 P C -2.550 174.761 177.300 0.018 0.000 1.228 345 P CA -0.622 62.485 63.100 0.010 0.000 0.786 345 P CB 0.157 31.867 31.700 0.016 0.000 0.927 346 P HA 0.157 nan 4.420 nan 0.000 0.274 346 P C 0.900 178.224 177.300 0.039 0.000 1.237 346 P CA -0.189 62.934 63.100 0.037 0.000 0.793 346 P CB 1.124 32.861 31.700 0.062 0.000 0.977 347 E N 0.117 120.332 120.200 0.026 0.000 2.072 347 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 347 E C 0.054 176.684 176.600 0.050 0.000 0.985 347 E CA 0.807 57.220 56.400 0.022 0.000 0.801 347 E CB 0.059 29.757 29.700 -0.003 0.000 0.750 347 E HN 0.372 nan 8.360 nan 0.000 0.452 348 L N 1.107 122.372 121.223 0.069 0.000 2.362 348 L HA 0.287 4.627 4.340 -0.000 0.000 0.275 348 L C -0.106 176.895 176.870 0.218 0.000 0.998 348 L CA -0.771 54.154 54.840 0.143 0.000 0.820 348 L CB 1.890 43.988 42.059 0.065 0.000 1.270 348 L HN 0.144 nan 8.230 nan 0.000 0.415 349 L N 3.930 125.305 121.223 0.254 0.000 3.823 349 L HA -0.183 4.157 4.340 -0.000 0.000 0.525 349 L C -1.421 175.566 176.870 0.195 0.000 1.247 349 L CA -0.487 54.500 54.840 0.246 0.000 0.776 349 L CB -0.786 41.445 42.059 0.286 0.000 1.443 349 L HN 0.594 nan 8.230 nan 0.000 0.831 350 P HA -0.115 nan 4.420 nan 0.000 0.225 350 P C 1.192 178.591 177.300 0.166 0.000 1.148 350 P CA 1.045 64.225 63.100 0.134 0.000 0.779 350 P CB 0.333 32.093 31.700 0.100 0.000 0.780 351 S N -0.699 115.121 115.700 0.200 0.000 2.575 351 S HA 0.077 4.546 4.470 -0.000 0.000 0.215 351 S C 0.807 175.571 174.600 0.274 0.000 0.966 351 S CA -0.439 57.928 58.200 0.278 0.000 0.911 351 S CB -0.643 62.720 63.200 0.271 0.000 0.780 351 S HN 0.067 nan 8.310 nan 0.000 0.514 352 L N 2.513 123.873 121.223 0.229 0.000 2.559 352 L HA 0.349 4.689 4.340 -0.000 0.000 0.274 352 L C 1.201 178.213 176.870 0.237 0.000 1.205 352 L CA 1.156 56.132 54.840 0.227 0.000 0.907 352 L CB -0.435 41.745 42.059 0.202 0.000 1.153 352 L HN 0.360 nan 8.230 nan 0.000 0.490 353 G N 2.457 111.406 108.800 0.249 0.000 2.168 353 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.263 353 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.263 353 G C 0.441 175.461 174.900 0.200 0.000 0.977 353 G CA 0.442 45.684 45.100 0.237 0.000 0.659 353 G HN 0.827 nan 8.290 nan 0.000 0.533 354 S N -1.676 114.147 115.700 0.205 0.000 2.704 354 S HA 0.654 5.124 4.470 -0.000 0.000 0.305 354 S C 0.397 175.124 174.600 0.212 0.000 1.107 354 S CA 0.056 58.311 58.200 0.091 0.000 0.993 354 S CB 0.914 64.080 63.200 -0.056 0.000 1.110 354 S HN 0.900 nan 8.310 nan 0.000 0.534 355 Y N -0.946 119.423 120.300 0.115 0.000 4.177 355 Y HA -0.207 4.343 4.550 -0.000 0.000 0.227 355 Y C 0.499 176.480 175.900 0.136 0.000 1.154 355 Y CA 0.234 58.400 58.100 0.110 0.000 1.887 355 Y CB -2.133 36.387 38.460 0.100 0.000 1.594 355 Y HN 0.611 nan 8.280 nan 0.000 0.668 356 I N 0.073 120.789 120.570 0.244 0.000 2.634 356 I HA 0.477 4.647 4.170 -0.000 0.000 0.284 356 I C 0.665 176.948 176.117 0.277 0.000 1.124 356 I CA 0.427 61.872 61.300 0.243 0.000 1.417 356 I CB 1.306 39.447 38.000 0.236 0.000 1.396 356 I HN 0.197 nan 8.210 nan 0.000 0.571 357 T N 1.964 116.641 114.554 0.205 0.000 2.887 357 T HA 0.704 5.054 4.350 -0.000 0.000 0.288 357 T C -0.636 174.086 174.700 0.038 0.000 1.021 357 T CA -0.672 61.535 62.100 0.178 0.000 1.000 357 T CB 2.097 71.019 68.868 0.090 0.000 1.034 357 T HN 0.821 nan 8.240 nan 0.000 0.467 358 E N 0.930 121.140 120.200 0.016 0.000 2.343 358 E HA 0.331 4.681 4.350 -0.000 0.000 0.278 358 E C -1.208 175.513 176.600 0.201 0.000 0.910 358 E CA -0.550 55.822 56.400 -0.046 0.000 0.757 358 E CB 2.087 31.546 29.700 -0.401 0.000 1.218 358 E HN 0.725 nan 8.360 nan 0.000 0.435 359 Q N 1.090 121.017 119.800 0.211 0.000 2.327 359 Q HA 0.432 4.772 4.340 -0.000 0.000 0.254 359 Q C -0.386 175.816 176.000 0.337 0.000 0.952 359 Q CA -0.279 55.701 55.803 0.294 0.000 0.884 359 Q CB 1.148 30.098 28.738 0.354 0.000 1.224 359 Q HN 0.440 nan 8.270 nan 0.000 0.422 360 S N 1.618 117.442 115.700 0.206 0.000 2.564 360 S HA 0.303 4.773 4.470 -0.000 0.000 0.278 360 S C -0.694 173.955 174.600 0.081 0.000 1.333 360 S CA -0.424 57.765 58.200 -0.017 0.000 1.048 360 S CB 0.355 63.453 63.200 -0.170 0.000 0.900 360 S HN 0.369 nan 8.310 nan 0.000 0.505 361 L N 4.910 126.150 121.223 0.028 0.000 2.439 361 L HA 0.660 5.000 4.340 -0.000 0.000 0.270 361 L C -0.784 175.943 176.870 -0.239 0.000 0.972 361 L CA -0.667 54.091 54.840 -0.138 0.000 0.836 361 L CB 1.509 43.485 42.059 -0.139 0.000 1.255 361 L HN 0.459 nan 8.230 nan 0.000 0.404 362 V N 2.124 121.804 119.914 -0.389 0.000 2.667 362 V HA 0.764 4.884 4.120 -0.000 0.000 0.308 362 V C -0.900 175.040 176.094 -0.257 0.000 1.048 362 V CA -0.660 61.324 62.300 -0.527 0.000 0.928 362 V CB 1.651 32.981 31.823 -0.823 0.000 1.004 362 V HN 0.799 nan 8.190 nan 0.000 0.444 363 F N 4.513 124.240 119.950 -0.370 0.000 2.608 363 F HA 0.856 5.383 4.527 -0.000 0.000 0.309 363 F C -0.408 175.245 175.800 -0.244 0.000 1.103 363 F CA -0.268 57.595 58.000 -0.228 0.000 0.954 363 F CB 1.490 40.402 39.000 -0.147 0.000 1.267 363 F HN 1.198 nan 8.300 nan 0.000 0.444 364 C N 2.718 121.340 119.300 -1.129 0.000 3.332 364 C HA 0.813 5.273 4.460 -0.000 0.000 0.329 364 C C -1.644 172.724 174.990 -1.036 0.000 1.434 364 C CA -0.707 57.642 59.018 -1.115 0.000 1.314 364 C CB 1.670 28.994 27.740 -0.693 0.000 1.664 364 C HN 0.970 nan 8.230 nan 0.000 0.457 365 Q N 0.594 120.054 119.800 -0.567 0.000 2.387 365 Q HA 0.757 5.097 4.340 -0.000 0.000 0.273 365 Q C -0.404 175.610 176.000 0.023 0.000 1.089 365 Q CA -0.214 55.491 55.803 -0.164 0.000 0.824 365 Q CB 2.662 31.303 28.738 -0.162 0.000 1.367 365 Q HN 0.939 nan 8.270 nan 0.000 0.443 366 T N -2.510 112.142 114.554 0.163 0.000 2.942 366 T HA 0.726 5.076 4.350 -0.000 0.000 0.289 366 T C -0.525 174.228 174.700 0.088 0.000 1.044 366 T CA -0.725 61.444 62.100 0.115 0.000 1.023 366 T CB 1.214 70.175 68.868 0.155 0.000 1.123 366 T HN 0.262 nan 8.240 nan 0.000 0.512 367 V N 2.469 122.403 119.914 0.034 0.000 2.384 367 V HA 0.422 4.542 4.120 -0.000 0.000 0.287 367 V C 0.204 176.303 176.094 0.009 0.000 1.020 367 V CA -0.932 61.378 62.300 0.017 0.000 0.850 367 V CB 1.260 33.084 31.823 0.000 0.000 0.987 367 V HN 1.035 nan 8.190 nan 0.000 0.436 368 M N 4.739 124.351 119.600 0.020 0.000 2.251 368 M HA 0.157 4.637 4.480 -0.000 0.000 0.343 368 M C 0.876 177.177 176.300 0.003 0.000 1.245 368 M CA 0.649 55.963 55.300 0.024 0.000 1.061 368 M CB 0.728 33.340 32.600 0.020 0.000 1.723 368 M HN 0.935 nan 8.290 nan 0.000 0.449 369 S N 2.599 118.299 115.700 -0.000 0.000 2.566 369 S HA 0.041 4.511 4.470 -0.000 0.000 0.280 369 S C 0.969 175.566 174.600 -0.004 0.000 1.343 369 S CA -0.052 58.139 58.200 -0.015 0.000 1.036 369 S CB 0.507 63.695 63.200 -0.021 0.000 0.866 369 S HN 0.816 nan 8.310 nan 0.000 0.526 370 T N 1.990 116.538 114.554 -0.010 0.000 2.720 370 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 370 T C 1.670 176.374 174.700 0.006 0.000 1.037 370 T CA 1.868 63.967 62.100 -0.002 0.000 1.144 370 T CB -0.482 68.381 68.868 -0.008 0.000 0.864 370 T HN 0.767 nan 8.240 nan 0.000 0.444 371 E N 0.586 120.786 120.200 0.001 0.000 2.058 371 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 371 E C 2.272 178.887 176.600 0.025 0.000 0.997 371 E CA 0.995 57.399 56.400 0.007 0.000 0.801 371 E CB -0.296 29.402 29.700 -0.005 0.000 0.746 371 E HN 0.424 nan 8.360 nan 0.000 0.450 372 L N 0.751 121.991 121.223 0.028 0.000 2.046 372 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 372 L C 2.458 179.366 176.870 0.062 0.000 1.077 372 L CA 0.524 55.396 54.840 0.053 0.000 0.747 372 L CB -0.292 41.798 42.059 0.051 0.000 0.896 372 L HN 0.203 nan 8.230 nan 0.000 0.432 373 I N -0.013 120.579 120.570 0.038 0.000 2.179 373 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 373 I C 2.138 178.282 176.117 0.046 0.000 1.088 373 I CA 1.578 62.896 61.300 0.031 0.000 1.357 373 I CB -1.116 36.891 38.000 0.013 0.000 1.051 373 I HN 0.291 nan 8.210 nan 0.000 0.409 374 D N 0.606 121.032 120.400 0.044 0.000 2.178 374 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 374 D C 2.347 178.693 176.300 0.078 0.000 0.980 374 D CA 1.541 55.572 54.000 0.051 0.000 0.842 374 D CB -0.085 40.736 40.800 0.036 0.000 0.948 374 D HN 0.374 nan 8.370 nan 0.000 0.472 375 S N -0.144 115.612 115.700 0.094 0.000 2.442 375 S HA -0.101 4.369 4.470 -0.000 0.000 0.236 375 S C 2.113 176.863 174.600 0.250 0.000 1.007 375 S CA 0.603 58.892 58.200 0.149 0.000 0.965 375 S CB -0.419 62.861 63.200 0.133 0.000 0.773 375 S HN 0.073 nan 8.310 nan 0.000 0.504 376 V N 2.901 122.932 119.914 0.196 0.000 2.407 376 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 376 V C 2.236 178.462 176.094 0.220 0.000 1.055 376 V CA 2.079 64.519 62.300 0.232 0.000 1.049 376 V CB -0.772 31.102 31.823 0.084 0.000 0.662 376 V HN 0.825 nan 8.190 nan 0.000 0.455 377 K N 0.296 120.786 120.400 0.150 0.000 2.498 377 K HA 0.167 4.487 4.320 -0.000 0.000 0.207 377 K C 1.586 178.251 176.600 0.108 0.000 1.033 377 K CA 0.678 57.039 56.287 0.122 0.000 1.138 377 K CB 0.212 32.767 32.500 0.091 0.000 0.860 377 K HN 0.406 nan 8.250 nan 0.000 0.490 378 S N 0.818 116.598 115.700 0.135 0.000 2.419 378 S HA -0.167 4.303 4.470 -0.000 0.000 0.235 378 S C 0.912 175.530 174.600 0.031 0.000 1.019 378 S CA 1.322 59.564 58.200 0.070 0.000 0.982 378 S CB -0.237 62.987 63.200 0.040 0.000 0.789 378 S HN 0.341 nan 8.310 nan 0.000 0.490 379 D N 0.685 121.113 120.400 0.048 0.000 2.349 379 D HA 0.236 4.876 4.640 -0.000 0.000 0.214 379 D C 0.150 176.489 176.300 0.066 0.000 1.063 379 D CA 0.199 54.209 54.000 0.017 0.000 0.847 379 D CB 0.018 40.800 40.800 -0.030 0.000 0.933 379 D HN 0.390 nan 8.370 nan 0.000 0.513 380 M N 0.596 120.237 119.600 0.068 0.000 2.235 380 M HA 0.218 4.698 4.480 -0.000 0.000 0.351 380 M C 0.298 176.629 176.300 0.052 0.000 1.178 380 M CA 0.172 55.520 55.300 0.082 0.000 1.143 380 M CB 0.949 33.591 32.600 0.071 0.000 1.530 380 M HN -0.319 nan 8.290 nan 0.000 0.461 381 T N 4.232 118.811 114.554 0.041 0.000 2.771 381 T HA 0.712 5.062 4.350 -0.000 0.000 0.281 381 T C -0.064 174.620 174.700 -0.028 0.000 0.982 381 T CA -0.396 61.709 62.100 0.008 0.000 0.978 381 T CB 0.823 69.692 68.868 0.001 0.000 0.930 381 T HN 0.429 nan 8.240 nan 0.000 0.447 382 I N 2.965 123.518 120.570 -0.028 0.000 2.406 382 I HA 0.439 4.609 4.170 -0.000 0.000 0.290 382 I C 0.367 176.457 176.117 -0.045 0.000 0.999 382 I CA -0.709 60.544 61.300 -0.078 0.000 1.124 382 I CB 1.621 39.630 38.000 0.015 0.000 1.289 382 I HN 0.259 nan 8.210 nan 0.000 0.441 383 R N 4.311 124.749 120.500 -0.103 0.000 2.295 383 R HA 0.641 4.981 4.340 -0.000 0.000 0.324 383 R C 0.403 176.740 176.300 0.063 0.000 0.968 383 R CA -0.089 55.995 56.100 -0.027 0.000 0.837 383 R CB 1.615 31.885 30.300 -0.049 0.000 1.133 383 R HN 0.943 nan 8.270 nan 0.000 0.450 384 G N 2.045 110.909 108.800 0.107 0.000 2.562 384 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.250 384 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.250 384 G C -0.671 174.375 174.900 0.242 0.000 1.269 384 G CA -0.382 44.810 45.100 0.154 0.000 0.919 384 G HN 0.514 nan 8.290 nan 0.000 0.574 385 T N 2.876 117.536 114.554 0.176 0.000 2.823 385 T HA 0.628 4.978 4.350 -0.000 0.000 0.279 385 T C -2.525 172.013 174.700 -0.270 0.000 0.998 385 T CA -0.781 61.332 62.100 0.021 0.000 0.994 385 T CB 2.031 70.888 68.868 -0.018 0.000 0.960 385 T HN 0.525 nan 8.240 nan 0.000 0.448 386 P HA 0.135 nan 4.420 nan 0.000 0.263 386 P C 1.147 178.144 177.300 -0.506 0.000 1.168 386 P CA 1.381 63.837 63.100 -1.073 0.000 0.759 386 P CB 0.167 31.514 31.700 -0.590 0.000 0.782 387 G N 1.767 110.319 108.800 -0.415 0.000 2.284 387 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.230 387 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.230 387 G C -0.038 174.822 174.900 -0.067 0.000 1.021 387 G CA -0.291 44.712 45.100 -0.162 0.000 0.619 387 G HN 0.574 nan 8.290 nan 0.000 0.510 388 E N 0.385 120.560 120.200 -0.042 0.000 2.318 388 E HA 0.559 4.909 4.350 -0.000 0.000 0.265 388 E C 1.245 177.890 176.600 0.076 0.000 1.069 388 E CA -0.628 55.788 56.400 0.026 0.000 0.893 388 E CB 1.623 31.346 29.700 0.038 0.000 1.076 388 E HN 0.106 nan 8.360 nan 0.000 0.414 389 L N 2.251 123.506 121.223 0.053 0.000 2.081 389 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 389 L C 1.950 178.858 176.870 0.064 0.000 1.080 389 L CA 2.381 57.251 54.840 0.050 0.000 0.754 389 L CB -0.612 41.465 42.059 0.030 0.000 0.893 389 L HN 0.780 nan 8.230 nan 0.000 0.433 390 T N -4.004 110.593 114.554 0.071 0.000 3.186 390 T HA 0.049 4.399 4.350 -0.000 0.000 0.257 390 T C 0.347 175.097 174.700 0.082 0.000 1.029 390 T CA -0.498 61.636 62.100 0.057 0.000 0.916 390 T CB -0.935 67.954 68.868 0.034 0.000 1.041 390 T HN 0.170 nan 8.240 nan 0.000 0.562 391 Y N 2.650 122.950 120.300 -0.001 0.000 2.677 391 Y HA 0.407 4.957 4.550 -0.000 0.000 0.335 391 Y C 0.129 176.029 175.900 0.001 0.000 1.162 391 Y CA -0.495 57.605 58.100 0.000 0.000 1.483 391 Y CB -0.009 38.449 38.460 -0.002 0.000 1.209 391 Y HN 0.223 nan 8.280 nan 0.000 0.528 392 S N 5.259 120.688 115.700 -0.451 0.000 2.502 392 S HA 0.698 5.168 4.470 -0.000 0.000 0.304 392 S C -1.509 172.771 174.600 -0.533 0.000 1.097 392 S CA -0.759 57.210 58.200 -0.385 0.000 1.045 392 S CB 0.724 63.819 63.200 -0.176 0.000 1.019 392 S HN 0.451 nan 8.310 nan 0.000 0.481 393 V N 4.691 124.372 119.914 -0.389 0.000 2.384 393 V HA 0.687 4.807 4.120 -0.000 0.000 0.287 393 V C 0.333 176.391 176.094 -0.061 0.000 1.020 393 V CA -0.578 61.594 62.300 -0.213 0.000 0.850 393 V CB 0.936 32.682 31.823 -0.128 0.000 0.987 393 V HN 0.989 nan 8.190 nan 0.000 0.436 394 T N 1.767 116.312 114.554 -0.014 0.000 2.883 394 T HA 0.872 5.222 4.350 -0.000 0.000 0.296 394 T C -1.021 173.768 174.700 0.148 0.000 1.117 394 T CA -0.747 61.374 62.100 0.034 0.000 1.006 394 T CB 2.364 71.202 68.868 -0.050 0.000 1.191 394 T HN 0.835 nan 8.240 nan 0.000 0.508 395 Y N -1.922 118.367 120.300 -0.019 0.000 2.625 395 Y HA 0.741 5.291 4.550 -0.000 0.000 0.338 395 Y C -0.772 175.118 175.900 -0.016 0.000 1.123 395 Y CA -1.352 56.739 58.100 -0.016 0.000 1.046 395 Y CB 0.706 39.163 38.460 -0.005 0.000 1.299 395 Y HN 0.637 nan 8.280 nan 0.000 0.464 396 T N 4.424 118.959 114.554 -0.030 0.000 2.794 396 T HA 0.348 4.698 4.350 -0.000 0.000 0.304 396 T C -2.718 171.980 174.700 -0.004 0.000 0.973 396 T CA -1.162 60.881 62.100 -0.096 0.000 0.972 396 T CB 0.198 69.054 68.868 -0.021 0.000 0.952 396 T HN 0.343 nan 8.240 nan 0.000 0.509 397 P HA 0.168 nan 4.420 nan 0.000 0.264 397 P C 1.132 178.471 177.300 0.066 0.000 1.183 397 P CA 0.677 63.820 63.100 0.070 0.000 0.763 397 P CB 0.296 31.980 31.700 -0.027 0.000 0.807 398 G N 1.862 110.720 108.800 0.097 0.000 2.166 398 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 398 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 398 G C 0.492 175.405 174.900 0.022 0.000 0.986 398 G CA 0.101 45.229 45.100 0.047 0.000 0.683 398 G HN 0.865 nan 8.290 nan 0.000 0.527 399 A N 0.323 123.159 122.820 0.027 0.000 2.477 399 A HA 0.650 4.969 4.320 -0.000 0.000 0.246 399 A C 1.790 179.364 177.584 -0.018 0.000 1.078 399 A CA 1.225 53.264 52.037 0.003 0.000 0.770 399 A CB 0.347 19.351 19.000 0.007 0.000 1.011 399 A HN 1.733 nan 8.150 nan 0.000 0.494 400 S N 1.392 117.078 115.700 -0.024 0.000 2.423 400 S HA -0.163 4.307 4.470 -0.000 0.000 0.231 400 S C 1.458 176.027 174.600 -0.053 0.000 1.014 400 S CA 1.778 59.957 58.200 -0.035 0.000 0.965 400 S CB -0.904 62.279 63.200 -0.028 0.000 0.785 400 S HN 1.086 nan 8.310 nan 0.000 0.495 401 T N -0.462 114.062 114.554 -0.050 0.000 3.088 401 T HA 0.150 4.500 4.350 -0.000 0.000 0.259 401 T C 0.529 175.170 174.700 -0.098 0.000 1.122 401 T CA -0.173 61.888 62.100 -0.066 0.000 1.095 401 T CB -0.684 68.154 68.868 -0.049 0.000 0.930 401 T HN 0.259 nan 8.240 nan 0.000 0.508 402 N N 2.500 121.141 118.700 -0.098 0.000 2.412 402 N HA 0.087 4.827 4.740 -0.000 0.000 0.258 402 N C 0.988 176.337 175.510 -0.269 0.000 1.236 402 N CA 0.051 53.009 53.050 -0.154 0.000 0.882 402 N CB 0.778 39.200 38.487 -0.108 0.000 1.066 402 N HN 0.407 nan 8.380 nan 0.000 0.465 403 K N 1.369 121.503 120.400 -0.444 0.000 2.400 403 K HA 0.043 4.363 4.320 -0.000 0.000 0.194 403 K C -0.091 175.919 176.600 -0.983 0.000 1.033 403 K CA 0.622 56.498 56.287 -0.685 0.000 1.021 403 K CB 0.211 32.212 32.500 -0.832 0.000 0.808 403 K HN 0.558 nan 8.250 nan 0.000 0.505 404 H N 0.531 119.277 119.070 -0.539 0.000 2.747 404 H HA 0.316 4.872 4.556 -0.000 0.000 0.371 404 H C -2.465 172.522 175.328 -0.568 0.000 1.161 404 H CA -2.498 53.061 56.048 -0.815 0.000 1.167 404 H CB 1.565 30.416 29.762 -1.519 0.000 1.732 404 H HN -0.126 nan 8.280 nan 0.000 0.544 405 P HA 0.019 nan 4.420 nan 0.000 0.272 405 P C 0.261 177.321 177.300 -0.401 0.000 1.240 405 P CA -0.250 62.630 63.100 -0.367 0.000 0.791 405 P CB 1.373 32.842 31.700 -0.385 0.000 0.978 406 D N 0.151 120.462 120.400 -0.149 0.000 2.144 406 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 406 D C 1.930 178.220 176.300 -0.017 0.000 0.984 406 D CA 1.291 55.286 54.000 -0.009 0.000 0.834 406 D CB -0.509 40.404 40.800 0.189 0.000 0.955 406 D HN 0.612 nan 8.370 nan 0.000 0.465 407 W N 0.256 121.627 121.300 0.118 0.000 2.363 407 W HA -0.144 4.516 4.660 -0.000 0.000 0.296 407 W C 1.962 178.557 176.519 0.127 0.000 1.212 407 W CA 0.149 57.560 57.345 0.111 0.000 1.260 407 W CB -1.361 28.158 29.460 0.098 0.000 1.131 407 W HN 0.048 nan 8.180 nan 0.000 0.530 408 W N 3.518 124.283 121.300 -0.893 0.000 2.380 408 W HA -0.176 4.484 4.660 -0.000 0.000 0.317 408 W C 1.956 178.202 176.519 -0.454 0.000 1.196 408 W CA 1.798 58.671 57.345 -0.786 0.000 1.307 408 W CB -1.075 27.687 29.460 -1.163 0.000 1.157 408 W HN -0.113 nan 8.180 nan 0.000 0.483 409 N N 0.991 119.589 118.700 -0.169 0.000 2.149 409 N HA -0.223 4.517 4.740 -0.000 0.000 0.188 409 N C 1.509 176.749 175.510 -0.449 0.000 1.019 409 N CA 2.069 54.811 53.050 -0.514 0.000 0.857 409 N CB -0.758 36.945 38.487 -1.307 0.000 0.997 409 N HN 0.231 nan 8.380 nan 0.000 0.426 410 E N 1.379 121.450 120.200 -0.215 0.000 2.058 410 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 410 E C 1.612 178.271 176.600 0.098 0.000 0.997 410 E CA 1.441 57.912 56.400 0.118 0.000 0.801 410 E CB 0.011 29.841 29.700 0.216 0.000 0.746 410 E HN 0.298 nan 8.360 nan 0.000 0.450 411 K N -0.598 119.843 120.400 0.069 0.000 2.057 411 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 411 K C 2.129 178.744 176.600 0.025 0.000 1.050 411 K CA 1.265 57.585 56.287 0.055 0.000 0.935 411 K CB -0.096 32.426 32.500 0.037 0.000 0.715 411 K HN 0.013 nan 8.250 nan 0.000 0.439 412 V N 1.999 121.898 119.914 -0.025 0.000 2.307 412 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 412 V C 2.382 178.524 176.094 0.080 0.000 1.045 412 V CA 1.633 63.934 62.300 0.003 0.000 1.024 412 V CB -0.397 31.424 31.823 -0.004 0.000 0.651 412 V HN 0.334 nan 8.190 nan 0.000 0.449 413 K N 0.256 120.701 120.400 0.076 0.000 2.009 413 K HA -0.247 4.073 4.320 -0.000 0.000 0.210 413 K C 2.053 178.715 176.600 0.103 0.000 1.049 413 K CA 2.038 58.393 56.287 0.113 0.000 0.929 413 K CB -0.248 32.376 32.500 0.207 0.000 0.714 413 K HN 0.429 nan 8.250 nan 0.000 0.440 414 N N 0.448 119.216 118.700 0.114 0.000 2.084 414 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 414 N C 1.803 177.383 175.510 0.116 0.000 1.030 414 N CA 1.530 54.642 53.050 0.104 0.000 0.849 414 N CB -0.820 37.734 38.487 0.113 0.000 1.012 414 N HN 0.412 nan 8.380 nan 0.000 0.423 415 H N 0.694 119.799 119.070 0.058 0.000 2.289 415 H HA 0.034 4.590 4.556 -0.000 0.000 0.296 415 H C 2.061 177.438 175.328 0.082 0.000 1.091 415 H CA 1.957 58.045 56.048 0.067 0.000 1.274 415 H CB -0.178 29.536 29.762 -0.079 0.000 1.364 415 H HN 0.136 nan 8.280 nan 0.000 0.490 416 M N -1.188 118.404 119.600 -0.013 0.000 2.229 416 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 416 M C 2.194 178.533 176.300 0.066 0.000 1.063 416 M CA 1.440 56.740 55.300 0.001 0.000 1.114 416 M CB -0.025 32.642 32.600 0.112 0.000 1.387 416 M HN 0.379 nan 8.290 nan 0.000 0.420 417 M N 0.289 119.915 119.600 0.043 0.000 2.193 417 M HA -0.105 4.375 4.480 -0.000 0.000 0.265 417 M C 1.822 178.116 176.300 -0.011 0.000 1.071 417 M CA 1.902 57.234 55.300 0.054 0.000 1.140 417 M CB -0.067 32.546 32.600 0.021 0.000 1.369 417 M HN 0.116 nan 8.290 nan 0.000 0.423 418 Q N -1.151 118.585 119.800 -0.106 0.000 2.331 418 Q HA 0.006 4.346 4.340 -0.000 0.000 0.203 418 Q C -0.101 175.587 176.000 -0.519 0.000 0.944 418 Q CA 0.676 56.306 55.803 -0.287 0.000 0.892 418 Q CB 0.297 28.838 28.738 -0.329 0.000 0.983 418 Q HN 0.514 nan 8.270 nan 0.000 0.482 419 H N 0.136 119.133 119.070 -0.122 0.000 2.380 419 H HA 0.190 4.746 4.556 -0.000 0.000 0.231 419 H C 0.017 175.265 175.328 -0.134 0.000 1.415 419 H CA -0.081 55.896 56.048 -0.118 0.000 1.433 419 H CB 0.572 30.210 29.762 -0.205 0.000 1.544 419 H HN 0.258 nan 8.280 nan 0.000 0.503 420 Q N 0.617 120.412 119.800 -0.009 0.000 2.436 420 Q HA -0.099 4.241 4.340 -0.000 0.000 0.209 420 Q C 1.764 177.723 176.000 -0.067 0.000 0.965 420 Q CA 0.733 56.500 55.803 -0.060 0.000 0.910 420 Q CB 0.464 29.135 28.738 -0.112 0.000 0.980 420 Q HN 0.530 nan 8.270 nan 0.000 0.491 421 E N 1.194 121.397 120.200 0.005 0.000 2.371 421 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 421 E C -0.272 176.360 176.600 0.054 0.000 1.012 421 E CA 0.473 56.887 56.400 0.023 0.000 0.860 421 E CB 0.009 29.742 29.700 0.055 0.000 0.811 421 E HN 0.151 nan 8.360 nan 0.000 0.502 422 D N 2.032 122.478 120.400 0.077 0.000 2.264 422 D HA 0.117 4.757 4.640 -0.000 0.000 0.250 422 D C -1.504 174.838 176.300 0.070 0.000 1.113 422 D CA -2.070 51.999 54.000 0.115 0.000 0.871 422 D CB 1.606 42.499 40.800 0.154 0.000 1.167 422 D HN -0.169 nan 8.370 nan 0.000 0.447 423 P HA 0.067 nan 4.420 nan 0.000 0.236 423 P C -0.097 177.235 177.300 0.053 0.000 1.177 423 P CA 0.301 63.431 63.100 0.049 0.000 0.773 423 P CB 0.429 32.152 31.700 0.039 0.000 0.878 424 L N 1.669 122.933 121.223 0.067 0.000 2.331 424 L HA 0.359 4.699 4.340 -0.000 0.000 0.275 424 L C -1.383 175.516 176.870 0.050 0.000 1.022 424 L CA -2.210 52.647 54.840 0.029 0.000 0.812 424 L CB 2.255 44.300 42.059 -0.024 0.000 1.257 424 L HN -0.279 nan 8.230 nan 0.000 0.435 425 P HA 0.092 nan 4.420 nan 0.000 0.255 425 P C 0.206 177.400 177.300 -0.178 0.000 1.248 425 P CA 0.497 63.609 63.100 0.021 0.000 0.807 425 P CB 0.395 32.108 31.700 0.022 0.000 1.150 426 I N 2.415 122.783 120.570 -0.336 0.000 2.371 426 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 426 I C -2.123 173.505 176.117 -0.814 0.000 1.028 426 I CA -2.730 58.301 61.300 -0.448 0.000 1.345 426 I CB 0.659 38.477 38.000 -0.304 0.000 1.407 426 I HN -0.244 nan 8.210 nan 0.000 0.501 427 P HA -0.027 nan 4.420 nan 0.000 0.265 427 P C 0.348 177.372 177.300 -0.459 0.000 1.187 427 P CA 0.073 62.771 63.100 -0.670 0.000 0.766 427 P CB 0.315 31.878 31.700 -0.229 0.000 0.820 428 F N 0.995 120.792 119.950 -0.255 0.000 2.154 428 F HA -0.156 4.371 4.527 -0.000 0.000 0.301 428 F C 1.745 177.494 175.800 -0.085 0.000 1.087 428 F CA 1.641 59.555 58.000 -0.144 0.000 1.274 428 F CB -0.858 38.078 39.000 -0.107 0.000 1.009 428 F HN 0.414 nan 8.300 nan 0.000 0.485 429 E N -0.363 119.913 120.200 0.127 0.000 2.451 429 E HA 0.007 4.357 4.350 -0.000 0.000 0.194 429 E C -0.244 176.373 176.600 0.028 0.000 1.027 429 E CA -0.240 56.208 56.400 0.080 0.000 0.914 429 E CB -0.192 29.561 29.700 0.089 0.000 1.054 429 E HN 0.187 nan 8.360 nan 0.000 0.461 430 D N 2.715 123.105 120.400 -0.017 0.000 2.487 430 D HA 0.010 4.650 4.640 -0.000 0.000 0.243 430 D C -2.263 174.046 176.300 0.015 0.000 1.154 430 D CA -1.287 52.692 54.000 -0.035 0.000 0.876 430 D CB 0.780 41.517 40.800 -0.105 0.000 1.161 430 D HN -0.109 nan 8.370 nan 0.000 0.478 431 P HA 0.081 nan 4.420 nan 0.000 0.273 431 P C -0.374 177.034 177.300 0.180 0.000 1.250 431 P CA -0.405 62.782 63.100 0.145 0.000 0.793 431 P CB 0.356 32.150 31.700 0.157 0.000 1.011 432 E N 1.277 121.606 120.200 0.215 0.000 2.371 432 E HA 0.227 4.577 4.350 -0.000 0.000 0.257 432 E C -2.516 174.116 176.600 0.052 0.000 1.134 432 E CA -1.944 54.505 56.400 0.083 0.000 0.919 432 E CB -0.913 28.797 29.700 0.017 0.000 1.025 432 E HN 0.205 nan 8.360 nan 0.000 0.438 433 P HA 0.111 nan 4.420 nan 0.000 0.274 433 P C -0.534 176.768 177.300 0.005 0.000 1.231 433 P CA -0.095 63.067 63.100 0.104 0.000 0.790 433 P CB 0.429 32.138 31.700 0.016 0.000 0.951 434 Q N 0.699 120.611 119.800 0.186 0.000 3.557 434 Q HA 0.290 4.630 4.340 -0.000 0.000 0.264 434 Q C -1.169 174.926 176.000 0.159 0.000 0.850 434 Q CA -0.243 55.541 55.803 -0.033 0.000 0.833 434 Q CB 1.105 29.565 28.738 -0.464 0.000 1.505 434 Q HN 0.177 nan 8.270 nan 0.000 0.402 435 V N 0.575 120.538 119.914 0.081 0.000 2.547 435 V HA 0.728 4.848 4.120 -0.000 0.000 0.299 435 V C 0.175 176.281 176.094 0.019 0.000 1.040 435 V CA -0.367 61.972 62.300 0.065 0.000 0.913 435 V CB 2.035 33.842 31.823 -0.028 0.000 0.992 435 V HN 0.415 nan 8.190 nan 0.000 0.449 436 T N 1.842 116.436 114.554 0.066 0.000 2.916 436 T HA 0.466 4.816 4.350 -0.000 0.000 0.305 436 T C -0.885 173.744 174.700 -0.119 0.000 1.119 436 T CA -0.318 61.761 62.100 -0.034 0.000 1.008 436 T CB 1.838 70.681 68.868 -0.043 0.000 1.129 436 T HN 0.811 nan 8.240 nan 0.000 0.480 437 T N 4.664 118.992 114.554 -0.377 0.000 2.772 437 T HA 0.608 4.958 4.350 -0.000 0.000 0.288 437 T C -0.083 174.465 174.700 -0.253 0.000 0.994 437 T CA -0.582 61.131 62.100 -0.645 0.000 0.951 437 T CB -0.190 67.846 68.868 -1.385 0.000 0.933 437 T HN 0.499 nan 8.240 nan 0.000 0.447 438 L N 4.451 125.607 121.223 -0.111 0.000 2.452 438 L HA 0.407 4.747 4.340 -0.000 0.000 0.267 438 L C 0.711 177.587 176.870 0.010 0.000 1.188 438 L CA -0.947 53.914 54.840 0.034 0.000 0.821 438 L CB 0.238 42.316 42.059 0.032 0.000 1.102 438 L HN 0.621 nan 8.230 nan 0.000 0.470 439 F N 2.821 122.702 119.950 -0.115 0.000 2.579 439 F HA -0.089 4.438 4.527 -0.000 0.000 0.397 439 F C 0.279 175.827 175.800 -0.421 0.000 1.027 439 F CA 0.635 58.476 58.000 -0.266 0.000 1.217 439 F CB 0.101 38.991 39.000 -0.184 0.000 0.986 439 F HN 0.390 nan 8.300 nan 0.000 0.551 440 Q N 6.584 125.882 119.800 -0.837 0.000 2.501 440 Q HA 0.264 4.604 4.340 -0.000 0.000 0.288 440 Q C -2.025 173.531 176.000 -0.741 0.000 1.051 440 Q CA -1.774 53.636 55.803 -0.655 0.000 0.788 440 Q CB 1.356 29.592 28.738 -0.836 0.000 1.469 440 Q HN 0.236 nan 8.270 nan 0.000 0.416 441 P HA -0.183 nan 4.420 nan 0.000 0.216 441 P C 1.163 178.247 177.300 -0.359 0.000 1.150 441 P CA 1.927 64.853 63.100 -0.289 0.000 0.843 441 P CB 0.256 31.879 31.700 -0.129 0.000 0.787 442 S N -1.604 113.883 115.700 -0.357 0.000 2.496 442 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 442 S C 0.574 174.974 174.600 -0.332 0.000 0.996 442 S CA 0.180 58.241 58.200 -0.231 0.000 0.927 442 S CB -1.228 61.936 63.200 -0.060 0.000 0.774 442 S HN 0.424 nan 8.310 nan 0.000 0.524 443 H N -1.027 117.599 119.070 -0.740 0.000 2.538 443 H HA 0.484 5.040 4.556 -0.000 0.000 0.239 443 H C -3.198 170.956 175.328 -1.957 0.000 1.401 443 H CA -1.951 53.267 56.048 -1.383 0.000 1.499 443 H CB 0.475 29.700 29.762 -0.895 0.000 1.624 443 H HN 0.075 nan 8.280 nan 0.000 0.524 444 P HA 0.068 nan 4.420 nan 0.000 0.226 444 P C -1.235 175.438 177.300 -1.043 0.000 1.783 444 P CA 0.206 62.188 63.100 -1.862 0.000 0.980 444 P CB -1.083 30.115 31.700 -0.837 0.000 1.967 445 W N -0.512 120.439 121.300 -0.582 0.000 3.167 445 W HA 0.528 5.188 4.660 -0.000 0.000 0.324 445 W C -0.779 175.820 176.519 0.132 0.000 1.230 445 W CA -1.302 56.047 57.345 0.007 0.000 1.184 445 W CB 0.095 29.585 29.460 0.050 0.000 1.414 445 W HN -0.023 nan 8.180 nan 0.000 0.551 446 H N 1.041 120.377 119.070 0.444 0.000 2.505 446 H HA 0.691 5.247 4.556 -0.000 0.000 0.351 446 H C -0.152 175.332 175.328 0.260 0.000 1.151 446 H CA 0.577 56.794 56.048 0.282 0.000 1.339 446 H CB 1.471 31.361 29.762 0.214 0.000 1.483 446 H HN 0.585 nan 8.280 nan 0.000 0.558 447 T N 1.908 116.104 114.554 -0.596 0.000 2.912 447 T HA 0.489 4.839 4.350 -0.000 0.000 0.299 447 T C -0.883 173.507 174.700 -0.516 0.000 1.052 447 T CA -1.117 60.665 62.100 -0.530 0.000 0.996 447 T CB 1.618 70.062 68.868 -0.707 0.000 1.070 447 T HN 0.671 nan 8.240 nan 0.000 0.465 448 Q N 1.899 121.595 119.800 -0.173 0.000 2.274 448 Q HA 0.550 4.890 4.340 -0.000 0.000 0.268 448 Q C -1.188 174.707 176.000 -0.175 0.000 1.015 448 Q CA -0.604 55.017 55.803 -0.303 0.000 0.775 448 Q CB 2.538 30.967 28.738 -0.515 0.000 1.256 448 Q HN 0.717 nan 8.270 nan 0.000 0.442 449 I N 3.856 124.288 120.570 -0.230 0.000 2.537 449 I HA 0.350 4.520 4.170 -0.000 0.000 0.276 449 I C -0.353 175.649 176.117 -0.191 0.000 1.063 449 I CA -0.235 60.805 61.300 -0.432 0.000 1.144 449 I CB 0.279 37.894 38.000 -0.641 0.000 1.252 449 I HN 0.753 nan 8.210 nan 0.000 0.480 450 H N 3.546 122.427 119.070 -0.315 0.000 3.150 450 H HA 0.661 5.217 4.556 -0.000 0.000 0.270 450 H C -1.158 174.088 175.328 -0.136 0.000 1.573 450 H CA -1.343 54.589 56.048 -0.193 0.000 1.195 450 H CB 1.375 31.048 29.762 -0.148 0.000 1.874 450 H HN 0.077 nan 8.280 nan 0.000 0.691 451 R N 1.243 121.521 120.500 -0.370 0.000 2.574 451 R HA 0.288 4.628 4.340 -0.000 0.000 0.288 451 R C -1.566 174.467 176.300 -0.446 0.000 1.004 451 R CA -0.607 55.275 56.100 -0.363 0.000 0.895 451 R CB 1.829 32.055 30.300 -0.124 0.000 1.191 451 R HN 0.897 nan 8.270 nan 0.000 0.444 452 D N 0.455 120.614 120.400 -0.401 0.000 2.585 452 D HA 0.451 5.091 4.640 -0.000 0.000 0.254 452 D C -0.458 175.823 176.300 -0.033 0.000 1.067 452 D CA -0.889 52.987 54.000 -0.207 0.000 1.090 452 D CB 0.336 41.020 40.800 -0.192 0.000 1.408 452 D HN 0.398 nan 8.370 nan 0.000 0.554 453 A N -0.368 122.451 122.820 -0.001 0.000 2.580 453 A HA 0.345 4.665 4.320 -0.000 0.000 0.244 453 A C -0.765 176.886 177.584 0.112 0.000 1.045 453 A CA 0.364 52.451 52.037 0.083 0.000 0.761 453 A CB -0.914 18.161 19.000 0.125 0.000 0.962 453 A HN 0.465 nan 8.150 nan 0.000 0.512 454 F N 1.834 121.723 119.950 -0.101 0.000 2.608 454 F HA 0.491 5.018 4.527 -0.000 0.000 0.309 454 F C 0.217 175.840 175.800 -0.295 0.000 1.103 454 F CA -0.334 57.495 58.000 -0.284 0.000 0.954 454 F CB 2.059 40.742 39.000 -0.528 0.000 1.267 454 F HN 0.520 nan 8.300 nan 0.000 0.444 455 S N 3.980 119.150 115.700 -0.884 0.000 2.642 455 S HA 0.383 4.853 4.470 -0.000 0.000 0.309 455 S C -1.030 173.284 174.600 -0.477 0.000 1.125 455 S CA -0.456 57.441 58.200 -0.506 0.000 1.055 455 S CB -0.651 62.300 63.200 -0.414 0.000 1.157 455 S HN 0.448 nan 8.310 nan 0.000 0.513 456 Y N 2.162 122.517 120.300 0.091 0.000 2.359 456 Y HA 0.462 5.012 4.550 -0.000 0.000 0.330 456 Y C 1.487 177.446 175.900 0.098 0.000 1.143 456 Y CA 0.217 58.453 58.100 0.227 0.000 1.318 456 Y CB 0.372 38.973 38.460 0.235 0.000 1.234 456 Y HN 0.789 nan 8.280 nan 0.000 0.522 457 G N 0.852 109.807 108.800 0.259 0.000 2.606 457 G HA2 0.337 4.297 3.960 -0.000 0.000 0.252 457 G HA3 0.337 4.297 3.960 -0.000 0.000 0.252 457 G C 0.819 175.809 174.900 0.150 0.000 1.206 457 G CA -0.150 45.039 45.100 0.148 0.000 0.861 457 G HN 0.889 nan 8.290 nan 0.000 0.561 458 A N 0.100 122.978 122.820 0.095 0.000 1.933 458 A HA -0.018 4.301 4.320 -0.000 0.000 0.218 458 A C 2.486 180.113 177.584 0.071 0.000 1.175 458 A CA 1.899 53.981 52.037 0.075 0.000 0.628 458 A CB -0.467 18.564 19.000 0.051 0.000 0.814 458 A HN 0.516 nan 8.150 nan 0.000 0.444 459 V N -0.278 119.682 119.914 0.075 0.000 2.323 459 V HA -0.279 3.841 4.120 -0.000 0.000 0.244 459 V C 2.576 178.716 176.094 0.077 0.000 1.041 459 V CA 2.121 64.460 62.300 0.066 0.000 1.025 459 V CB -0.856 31.004 31.823 0.062 0.000 0.656 459 V HN 0.636 nan 8.190 nan 0.000 0.451 460 Q N -0.427 119.448 119.800 0.124 0.000 2.226 460 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 460 Q C 2.177 178.211 176.000 0.056 0.000 0.975 460 Q CA 1.353 57.243 55.803 0.144 0.000 0.866 460 Q CB -0.188 28.746 28.738 0.327 0.000 0.915 460 Q HN 0.680 nan 8.270 nan 0.000 0.440 461 Q N -0.420 119.421 119.800 0.068 0.000 2.500 461 Q HA -0.061 4.279 4.340 -0.000 0.000 0.213 461 Q C 1.791 177.783 176.000 -0.014 0.000 0.974 461 Q CA 0.485 56.289 55.803 0.002 0.000 0.918 461 Q CB 0.053 28.821 28.738 0.049 0.000 0.980 461 Q HN 0.137 nan 8.270 nan 0.000 0.505 462 S N -0.087 115.615 115.700 0.003 0.000 2.489 462 S HA 0.013 4.483 4.470 -0.000 0.000 0.228 462 S C 0.741 175.332 174.600 -0.015 0.000 0.995 462 S CA 0.074 58.274 58.200 0.001 0.000 0.934 462 S CB 0.288 63.496 63.200 0.013 0.000 0.771 462 S HN 0.150 nan 8.310 nan 0.000 0.522 463 I N 2.860 123.408 120.570 -0.036 0.000 2.342 463 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 463 I C 0.362 176.433 176.117 -0.077 0.000 1.010 463 I CA -0.799 60.472 61.300 -0.047 0.000 1.308 463 I CB 0.765 38.738 38.000 -0.045 0.000 1.400 463 I HN 0.171 nan 8.210 nan 0.000 0.488 464 D N 4.331 124.704 120.400 -0.044 0.000 2.493 464 D HA -0.065 4.575 4.640 -0.000 0.000 0.240 464 D C 1.233 177.490 176.300 -0.071 0.000 1.142 464 D CA 0.186 54.163 54.000 -0.037 0.000 0.872 464 D CB 1.189 41.990 40.800 0.001 0.000 1.173 464 D HN 0.665 nan 8.370 nan 0.000 0.467 465 S N 4.311 119.958 115.700 -0.088 0.000 2.419 465 S HA -0.188 4.282 4.470 -0.000 0.000 0.233 465 S C 1.682 176.248 174.600 -0.058 0.000 1.016 465 S CA 0.602 58.732 58.200 -0.117 0.000 0.974 465 S CB -0.055 63.083 63.200 -0.103 0.000 0.786 465 S HN 0.558 nan 8.310 nan 0.000 0.492 466 R N 0.763 121.245 120.500 -0.031 0.000 2.193 466 R HA 0.159 4.499 4.340 -0.000 0.000 0.229 466 R C 1.853 178.131 176.300 -0.037 0.000 1.110 466 R CA 1.165 57.244 56.100 -0.035 0.000 0.988 466 R CB -0.555 29.713 30.300 -0.053 0.000 0.871 466 R HN 0.455 nan 8.270 nan 0.000 0.458 467 L N 0.288 121.491 121.223 -0.033 0.000 2.418 467 L HA 0.093 4.433 4.340 -0.000 0.000 0.218 467 L C 0.704 177.571 176.870 -0.004 0.000 1.125 467 L CA 0.286 55.114 54.840 -0.019 0.000 0.835 467 L CB 0.058 42.106 42.059 -0.018 0.000 0.953 467 L HN 0.065 nan 8.230 nan 0.000 0.454 468 I N -0.030 120.531 120.570 -0.015 0.000 2.385 468 I HA 0.259 4.429 4.170 -0.000 0.000 0.294 468 I C -0.592 175.537 176.117 0.020 0.000 0.988 468 I CA -0.436 60.869 61.300 0.008 0.000 1.265 468 I CB 1.857 39.846 38.000 -0.019 0.000 1.388 468 I HN -0.310 nan 8.210 nan 0.000 0.480 469 V N 4.586 124.535 119.914 0.057 0.000 2.709 469 V HA 0.327 4.447 4.120 -0.000 0.000 0.308 469 V C -0.841 175.250 176.094 -0.006 0.000 1.062 469 V CA -0.878 61.417 62.300 -0.008 0.000 0.901 469 V CB 2.099 33.908 31.823 -0.024 0.000 1.003 469 V HN 0.576 nan 8.190 nan 0.000 0.425 470 D N 2.476 122.801 120.400 -0.126 0.000 2.255 470 D HA 0.450 5.090 4.640 -0.000 0.000 0.249 470 D C -0.994 175.215 176.300 -0.151 0.000 1.078 470 D CA 0.140 54.101 54.000 -0.065 0.000 0.896 470 D CB 1.261 42.038 40.800 -0.038 0.000 1.194 470 D HN 0.448 nan 8.370 nan 0.000 0.429 471 W N 1.392 122.642 121.300 -0.082 0.000 2.538 471 W HA 0.449 5.109 4.660 -0.000 0.000 0.322 471 W C 0.195 176.727 176.519 0.023 0.000 1.028 471 W CA -0.848 56.489 57.345 -0.012 0.000 1.228 471 W CB 1.267 30.606 29.460 -0.203 0.000 1.356 471 W HN -0.068 nan 8.180 nan 0.000 0.452 472 R N 3.072 123.789 120.500 0.362 0.000 2.473 472 R HA 0.461 4.801 4.340 -0.000 0.000 0.303 472 R C -1.526 174.912 176.300 0.231 0.000 1.002 472 R CA -0.812 55.386 56.100 0.163 0.000 0.884 472 R CB 1.427 31.809 30.300 0.136 0.000 1.173 472 R HN 0.175 nan 8.270 nan 0.000 0.464 473 F N 3.108 122.876 119.950 -0.303 0.000 2.436 473 F HA 0.500 5.027 4.527 -0.000 0.000 0.340 473 F C -0.236 175.386 175.800 -0.297 0.000 1.113 473 F CA -1.402 56.500 58.000 -0.163 0.000 1.022 473 F CB 1.002 39.884 39.000 -0.196 0.000 1.128 473 F HN 0.289 nan 8.300 nan 0.000 0.466 474 F N 1.245 121.380 119.950 0.308 0.000 2.477 474 F HA 0.645 5.172 4.527 -0.000 0.000 0.335 474 F C 0.617 176.625 175.800 0.347 0.000 1.130 474 F CA -1.084 57.100 58.000 0.307 0.000 0.948 474 F CB 1.552 40.785 39.000 0.388 0.000 1.154 474 F HN 0.526 nan 8.300 nan 0.000 0.439 475 G N 2.131 111.182 108.800 0.417 0.000 2.477 475 G HA2 0.620 4.580 3.960 -0.000 0.000 0.304 475 G HA3 0.620 4.580 3.960 -0.000 0.000 0.304 475 G C -0.837 174.259 174.900 0.327 0.000 1.175 475 G CA -1.049 44.282 45.100 0.385 0.000 0.907 475 G HN 0.708 nan 8.290 nan 0.000 0.509 476 R N -0.624 120.066 120.500 0.317 0.000 2.428 476 R HA 0.634 4.974 4.340 -0.000 0.000 0.294 476 R C -1.006 175.392 176.300 0.163 0.000 1.000 476 R CA -0.548 55.652 56.100 0.166 0.000 0.960 476 R CB 1.190 31.598 30.300 0.180 0.000 1.076 476 R HN 0.261 nan 8.270 nan 0.000 0.475 477 T N 1.993 116.610 114.554 0.104 0.000 2.786 477 T HA 0.114 4.464 4.350 -0.000 0.000 0.283 477 T C -0.679 174.098 174.700 0.128 0.000 0.992 477 T CA -0.625 61.587 62.100 0.187 0.000 0.954 477 T CB 1.319 70.375 68.868 0.314 0.000 0.934 477 T HN 0.634 nan 8.240 nan 0.000 0.440 478 E N 4.430 124.710 120.200 0.134 0.000 2.417 478 E HA 0.069 4.419 4.350 -0.000 0.000 0.261 478 E C -2.159 174.519 176.600 0.129 0.000 1.000 478 E CA -1.538 54.931 56.400 0.115 0.000 0.919 478 E CB 0.496 30.256 29.700 0.100 0.000 0.955 478 E HN 0.198 nan 8.360 nan 0.000 0.455 479 P HA 0.089 nan 4.420 nan 0.000 0.271 479 P C -1.213 176.244 177.300 0.262 0.000 1.233 479 P CA 0.156 63.395 63.100 0.231 0.000 0.764 479 P CB 0.583 32.437 31.700 0.257 0.000 0.825 480 K N 2.668 123.165 120.400 0.162 0.000 2.378 480 K HA 0.183 4.503 4.320 -0.000 0.000 0.252 480 K C 0.952 177.400 176.600 -0.254 0.000 0.931 480 K CA -0.717 55.588 56.287 0.030 0.000 0.794 480 K CB 2.224 34.699 32.500 -0.041 0.000 1.181 480 K HN 0.436 nan 8.250 nan 0.000 0.425 481 E N 2.106 121.999 120.200 -0.511 0.000 2.160 481 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 481 E C 0.986 177.330 176.600 -0.426 0.000 0.991 481 E CA 1.395 57.235 56.400 -0.934 0.000 0.810 481 E CB 0.495 29.844 29.700 -0.584 0.000 0.742 481 E HN 0.550 nan 8.360 nan 0.000 0.466 482 E N 0.319 120.376 120.200 -0.238 0.000 2.347 482 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 482 E C -0.003 176.537 176.600 -0.099 0.000 1.008 482 E CA 0.333 56.649 56.400 -0.140 0.000 0.852 482 E CB -0.230 29.404 29.700 -0.110 0.000 0.783 482 E HN 0.057 nan 8.360 nan 0.000 0.505 483 N N 1.991 120.623 118.700 -0.113 0.000 2.406 483 N HA 0.190 4.930 4.740 -0.000 0.000 0.251 483 N C -0.809 174.760 175.510 0.098 0.000 1.069 483 N CA 0.090 53.131 53.050 -0.016 0.000 0.947 483 N CB 1.128 39.577 38.487 -0.064 0.000 1.111 483 N HN 0.119 nan 8.380 nan 0.000 0.497 484 K N 1.070 121.581 120.400 0.185 0.000 2.477 484 K HA 0.490 4.810 4.320 -0.000 0.000 0.255 484 K C -1.192 175.559 176.600 0.251 0.000 0.952 484 K CA -0.919 55.496 56.287 0.213 0.000 0.826 484 K CB 2.373 35.004 32.500 0.218 0.000 1.331 484 K HN 0.154 nan 8.250 nan 0.000 0.437 485 L N 3.713 125.028 121.223 0.154 0.000 2.319 485 L HA 0.561 4.901 4.340 -0.000 0.000 0.281 485 L C -1.353 175.443 176.870 -0.122 0.000 1.005 485 L CA -0.110 54.654 54.840 -0.127 0.000 0.828 485 L CB 0.536 42.525 42.059 -0.116 0.000 1.227 485 L HN 0.713 nan 8.230 nan 0.000 0.415 486 W N 3.614 124.636 121.300 -0.464 0.000 2.967 486 W HA 0.676 5.336 4.660 -0.000 0.000 0.342 486 W C -2.101 173.969 176.519 -0.747 0.000 1.162 486 W CA -1.213 55.905 57.345 -0.377 0.000 1.085 486 W CB 0.955 30.345 29.460 -0.118 0.000 1.460 486 W HN 0.326 nan 8.180 nan 0.000 0.584 487 F N 1.389 121.530 119.950 0.318 0.000 2.547 487 F HA 0.317 4.844 4.527 -0.000 0.000 0.316 487 F C 0.721 176.684 175.800 0.271 0.000 1.121 487 F CA -0.927 57.142 58.000 0.114 0.000 0.911 487 F CB 2.078 41.127 39.000 0.081 0.000 1.179 487 F HN 0.256 nan 8.300 nan 0.000 0.443 488 S N 1.174 117.027 115.700 0.255 0.000 2.549 488 S HA 0.034 4.504 4.470 -0.000 0.000 0.286 488 S C 0.794 175.540 174.600 0.244 0.000 1.314 488 S CA -0.432 57.941 58.200 0.289 0.000 1.062 488 S CB 0.309 63.587 63.200 0.129 0.000 0.865 488 S HN 0.696 nan 8.310 nan 0.000 0.498 489 D N 3.006 123.537 120.400 0.219 0.000 2.340 489 D HA 0.106 4.746 4.640 -0.000 0.000 0.220 489 D C 0.936 177.296 176.300 0.098 0.000 1.039 489 D CA 0.407 54.489 54.000 0.135 0.000 0.866 489 D CB 0.216 41.078 40.800 0.103 0.000 0.913 489 D HN 0.435 nan 8.370 nan 0.000 0.523 490 K N -0.207 120.256 120.400 0.105 0.000 2.567 490 K HA 0.125 4.445 4.320 -0.000 0.000 0.199 490 K C 0.100 176.739 176.600 0.065 0.000 1.412 490 K CA -0.131 56.201 56.287 0.074 0.000 1.020 490 K CB 0.920 33.462 32.500 0.071 0.000 1.487 490 K HN -0.013 nan 8.250 nan 0.000 0.531 491 I N 3.515 124.128 120.570 0.071 0.000 2.519 491 I HA 0.104 4.274 4.170 -0.000 0.000 0.287 491 I C 0.622 176.772 176.117 0.054 0.000 1.047 491 I CA 0.141 61.471 61.300 0.051 0.000 1.381 491 I CB 0.986 39.005 38.000 0.033 0.000 1.417 491 I HN 0.202 nan 8.210 nan 0.000 0.540 492 T N 1.175 115.757 114.554 0.045 0.000 2.924 492 T HA 0.588 4.938 4.350 -0.000 0.000 0.291 492 T C -0.416 174.315 174.700 0.052 0.000 1.045 492 T CA -0.921 61.211 62.100 0.053 0.000 1.015 492 T CB 2.449 71.343 68.868 0.043 0.000 1.103 492 T HN 0.556 nan 8.240 nan 0.000 0.496 493 D N 0.784 121.230 120.400 0.077 0.000 2.511 493 D HA 0.491 5.131 4.640 -0.000 0.000 0.276 493 D C 1.613 177.955 176.300 0.069 0.000 1.220 493 D CA -0.450 53.603 54.000 0.089 0.000 1.077 493 D CB 0.123 41.013 40.800 0.150 0.000 1.126 493 D HN 0.651 nan 8.370 nan 0.000 0.583 494 A N -1.304 121.557 122.820 0.068 0.000 2.067 494 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 494 A C 1.226 178.666 177.584 -0.239 0.000 1.158 494 A CA 0.903 52.892 52.037 -0.080 0.000 0.661 494 A CB -0.945 17.990 19.000 -0.109 0.000 0.801 494 A HN 0.547 nan 8.150 nan 0.000 0.452 495 Y N -0.971 119.346 120.300 0.027 0.000 2.625 495 Y HA 0.241 4.791 4.550 -0.000 0.000 0.285 495 Y C 0.655 176.570 175.900 0.025 0.000 1.168 495 Y CA -0.252 57.864 58.100 0.028 0.000 1.250 495 Y CB -0.562 37.901 38.460 0.005 0.000 1.130 495 Y HN 0.457 nan 8.280 nan 0.000 0.526 496 N N -0.092 118.666 118.700 0.098 0.000 2.725 496 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 496 N C -0.653 174.892 175.510 0.058 0.000 1.103 496 N CA 0.489 53.574 53.050 0.058 0.000 0.707 496 N CB -0.461 38.041 38.487 0.025 0.000 1.043 496 N HN 0.164 nan 8.380 nan 0.000 0.553 497 M N -0.331 119.321 119.600 0.087 0.000 2.598 497 M HA 0.416 4.896 4.480 -0.000 0.000 0.317 497 M C -2.148 174.202 176.300 0.083 0.000 1.201 497 M CA -1.961 53.377 55.300 0.062 0.000 0.971 497 M CB 0.662 33.296 32.600 0.057 0.000 1.657 497 M HN -0.275 nan 8.290 nan 0.000 0.470 498 P HA -0.031 nan 4.420 nan 0.000 0.261 498 P C -0.602 176.844 177.300 0.244 0.000 1.183 498 P CA 0.184 63.369 63.100 0.142 0.000 0.761 498 P CB 0.212 31.993 31.700 0.135 0.000 0.785 499 Q N 7.201 127.094 119.800 0.155 0.000 2.271 499 Q HA 0.152 4.491 4.340 -0.000 0.000 0.273 499 Q C -2.247 173.729 176.000 -0.041 0.000 1.051 499 Q CA -1.981 53.863 55.803 0.068 0.000 0.901 499 Q CB -0.237 28.494 28.738 -0.011 0.000 1.174 499 Q HN 0.290 nan 8.270 nan 0.000 0.385 500 P HA 0.107 nan 4.420 nan 0.000 0.271 500 P C -1.045 175.780 177.300 -0.791 0.000 1.216 500 P CA -0.124 62.587 63.100 -0.649 0.000 0.776 500 P CB 0.970 32.354 31.700 -0.526 0.000 0.881 501 T N 2.863 116.718 114.554 -1.165 0.000 2.921 501 T HA 0.482 4.832 4.350 -0.000 0.000 0.297 501 T C -0.631 173.389 174.700 -1.133 0.000 1.013 501 T CA -0.108 61.290 62.100 -1.171 0.000 0.990 501 T CB 0.419 68.244 68.868 -1.738 0.000 1.023 501 T HN 0.051 nan 8.240 nan 0.000 0.447 502 F N 2.047 121.718 119.950 -0.465 0.000 2.397 502 F HA 0.541 5.068 4.527 -0.000 0.000 0.331 502 F C 0.653 176.402 175.800 -0.086 0.000 1.090 502 F CA -0.983 56.871 58.000 -0.244 0.000 1.065 502 F CB 1.150 40.053 39.000 -0.162 0.000 1.184 502 F HN 0.403 nan 8.300 nan 0.000 0.499 503 D N 3.296 123.866 120.400 0.284 0.000 2.375 503 D HA 0.217 4.857 4.640 -0.000 0.000 0.259 503 D C -1.798 174.638 176.300 0.228 0.000 1.235 503 D CA -0.089 54.062 54.000 0.252 0.000 0.924 503 D CB 0.314 41.294 40.800 0.301 0.000 1.143 503 D HN 0.289 nan 8.370 nan 0.000 0.529 504 F N 3.338 123.280 119.950 -0.013 0.000 2.574 504 F HA 0.582 5.109 4.527 -0.000 0.000 0.313 504 F C -1.163 174.527 175.800 -0.183 0.000 1.130 504 F CA -0.598 57.325 58.000 -0.129 0.000 0.936 504 F CB 1.337 40.193 39.000 -0.240 0.000 1.219 504 F HN 0.014 nan 8.300 nan 0.000 0.445 505 R N 4.360 124.327 120.500 -0.888 0.000 2.725 505 R HA 0.357 4.697 4.340 -0.000 0.000 0.277 505 R C -1.613 174.013 176.300 -1.123 0.000 0.987 505 R CA -0.994 54.681 56.100 -0.709 0.000 0.901 505 R CB 1.673 31.790 30.300 -0.306 0.000 1.207 505 R HN 0.579 nan 8.270 nan 0.000 0.463 506 F N 2.994 122.704 119.950 -0.400 0.000 2.571 506 F HA 0.154 4.681 4.527 -0.000 0.000 0.384 506 F C -1.287 174.386 175.800 -0.213 0.000 1.058 506 F CA -1.022 56.838 58.000 -0.233 0.000 1.200 506 F CB -0.185 38.804 39.000 -0.018 0.000 1.077 506 F HN 0.129 nan 8.300 nan 0.000 0.558 507 P HA 0.124 nan 4.420 nan 0.000 0.266 507 P C -0.525 176.788 177.300 0.023 0.000 1.195 507 P CA -0.204 62.873 63.100 -0.038 0.000 0.768 507 P CB 0.544 32.236 31.700 -0.015 0.000 0.838 508 A N 2.595 125.415 122.820 -0.000 0.000 2.386 508 A HA 0.555 4.875 4.320 -0.000 0.000 0.246 508 A C 1.100 178.699 177.584 0.026 0.000 1.089 508 A CA 0.808 52.852 52.037 0.011 0.000 0.790 508 A CB -0.984 18.015 19.000 -0.002 0.000 1.042 508 A HN 0.838 nan 8.150 nan 0.000 0.497 509 G N -0.068 108.749 108.800 0.029 0.000 2.481 509 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.230 509 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.230 509 G C 1.000 175.932 174.900 0.054 0.000 1.210 509 G CA 0.707 45.830 45.100 0.038 0.000 0.936 509 G HN 1.007 nan 8.290 nan 0.000 0.583 510 R N -0.197 120.342 120.500 0.065 0.000 2.103 510 R HA -0.118 4.222 4.340 -0.000 0.000 0.242 510 R C 2.828 179.190 176.300 0.103 0.000 1.142 510 R CA 2.870 59.019 56.100 0.082 0.000 0.960 510 R CB -0.959 29.392 30.300 0.085 0.000 0.858 510 R HN 0.647 nan 8.270 nan 0.000 0.439 511 T N 0.052 114.670 114.554 0.108 0.000 2.665 511 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 511 T C 1.942 176.704 174.700 0.102 0.000 1.035 511 T CA 1.930 64.111 62.100 0.134 0.000 1.151 511 T CB -0.222 68.746 68.868 0.167 0.000 0.862 511 T HN 0.298 nan 8.240 nan 0.000 0.438 512 S N 0.672 116.415 115.700 0.071 0.000 2.371 512 S HA -0.043 4.427 4.470 -0.000 0.000 0.224 512 S C 2.029 176.645 174.600 0.027 0.000 1.029 512 S CA 1.121 59.334 58.200 0.022 0.000 0.978 512 S CB -0.222 62.984 63.200 0.010 0.000 0.833 512 S HN 0.549 nan 8.310 nan 0.000 0.466 513 K N 1.493 121.924 120.400 0.052 0.000 2.032 513 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 513 K C 1.894 178.554 176.600 0.101 0.000 1.048 513 K CA 1.569 57.895 56.287 0.064 0.000 0.927 513 K CB -0.142 32.399 32.500 0.069 0.000 0.712 513 K HN 0.342 nan 8.250 nan 0.000 0.441 514 E N -0.122 120.164 120.200 0.143 0.000 2.110 514 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 514 E C 1.971 178.666 176.600 0.158 0.000 0.988 514 E CA 0.919 57.463 56.400 0.240 0.000 0.804 514 E CB -0.099 29.777 29.700 0.295 0.000 0.745 514 E HN 0.489 nan 8.360 nan 0.000 0.458 515 A N 1.328 124.211 122.820 0.104 0.000 1.877 515 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 515 A C 2.085 179.739 177.584 0.118 0.000 1.186 515 A CA 1.740 53.834 52.037 0.094 0.000 0.620 515 A CB -0.358 18.660 19.000 0.030 0.000 0.822 515 A HN 0.127 nan 8.150 nan 0.000 0.443 516 E N 0.572 120.824 120.200 0.086 0.000 2.072 516 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 516 E C 1.367 177.948 176.600 -0.031 0.000 0.985 516 E CA 1.528 57.973 56.400 0.075 0.000 0.801 516 E CB -0.322 29.402 29.700 0.039 0.000 0.750 516 E HN 0.519 nan 8.360 nan 0.000 0.452 517 D N -0.018 120.365 120.400 -0.028 0.000 2.149 517 D HA -0.207 4.433 4.640 -0.000 0.000 0.198 517 D C 1.935 177.989 176.300 -0.410 0.000 0.990 517 D CA 1.282 55.249 54.000 -0.056 0.000 0.839 517 D CB -0.354 40.551 40.800 0.176 0.000 0.948 517 D HN 0.322 nan 8.370 nan 0.000 0.460 518 M N -0.288 118.848 119.600 -0.772 0.000 2.086 518 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 518 M C 2.101 177.980 176.300 -0.700 0.000 1.067 518 M CA 1.251 55.758 55.300 -1.321 0.000 1.116 518 M CB -0.019 32.021 32.600 -0.935 0.000 1.348 518 M HN -0.028 nan 8.290 nan 0.000 0.407 519 M N 0.406 119.717 119.600 -0.481 0.000 2.073 519 M HA -0.189 4.291 4.480 -0.000 0.000 0.258 519 M C 1.804 177.886 176.300 -0.363 0.000 1.070 519 M CA 2.540 57.562 55.300 -0.463 0.000 1.103 519 M CB -1.016 31.385 32.600 -0.331 0.000 1.321 519 M HN 0.284 nan 8.290 nan 0.000 0.405 520 T N -0.096 114.314 114.554 -0.240 0.000 2.746 520 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 520 T C 1.501 176.127 174.700 -0.124 0.000 1.039 520 T CA 1.782 63.797 62.100 -0.141 0.000 1.142 520 T CB -0.634 68.197 68.868 -0.063 0.000 0.866 520 T HN 0.531 nan 8.240 nan 0.000 0.444 521 D N 0.504 120.830 120.400 -0.124 0.000 2.149 521 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 521 D C 2.029 178.320 176.300 -0.016 0.000 0.990 521 D CA 0.884 54.919 54.000 0.059 0.000 0.839 521 D CB -0.203 40.741 40.800 0.240 0.000 0.948 521 D HN 0.302 nan 8.370 nan 0.000 0.460 522 M N -0.627 118.708 119.600 -0.443 0.000 2.132 522 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 522 M C 1.943 177.931 176.300 -0.520 0.000 1.065 522 M CA 1.230 55.984 55.300 -0.910 0.000 1.122 522 M CB -0.107 31.709 32.600 -1.308 0.000 1.365 522 M HN 0.180 nan 8.290 nan 0.000 0.411 523 C N -0.319 118.781 119.300 -0.334 0.000 2.429 523 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 523 C C 2.664 177.563 174.990 -0.152 0.000 1.262 523 C CA 0.828 59.766 59.018 -0.134 0.000 1.733 523 C CB -0.989 26.721 27.740 -0.050 0.000 2.010 523 C HN 0.486 nan 8.230 nan 0.000 0.483 524 V N 0.413 120.262 119.914 -0.107 0.000 2.323 524 V HA -0.260 3.860 4.120 -0.000 0.000 0.244 524 V C 2.408 178.481 176.094 -0.034 0.000 1.041 524 V CA 2.149 64.420 62.300 -0.049 0.000 1.025 524 V CB -0.655 31.188 31.823 0.033 0.000 0.656 524 V HN 0.566 nan 8.190 nan 0.000 0.451 525 M N 0.785 120.407 119.600 0.038 0.000 2.086 525 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 525 M C 2.455 178.642 176.300 -0.188 0.000 1.067 525 M CA 2.390 57.778 55.300 0.147 0.000 1.116 525 M CB -0.204 32.642 32.600 0.409 0.000 1.348 525 M HN 0.563 nan 8.290 nan 0.000 0.407 526 S N 0.426 115.694 115.700 -0.720 0.000 2.399 526 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 526 S C 1.977 176.205 174.600 -0.620 0.000 1.022 526 S CA 0.925 58.303 58.200 -1.369 0.000 0.983 526 S CB -0.837 61.318 63.200 -1.741 0.000 0.803 526 S HN 0.570 nan 8.310 nan 0.000 0.480 527 A N 2.176 124.728 122.820 -0.447 0.000 2.070 527 A HA -0.051 4.269 4.320 -0.000 0.000 0.220 527 A C 2.157 179.623 177.584 -0.198 0.000 1.159 527 A CA 1.438 53.269 52.037 -0.343 0.000 0.656 527 A CB -0.567 18.252 19.000 -0.302 0.000 0.800 527 A HN 0.643 nan 8.150 nan 0.000 0.453 528 K N -0.650 119.678 120.400 -0.120 0.000 2.283 528 K HA 0.020 4.340 4.320 -0.000 0.000 0.202 528 K C 1.170 177.771 176.600 0.001 0.000 1.048 528 K CA 0.847 57.109 56.287 -0.041 0.000 0.948 528 K CB -0.011 32.501 32.500 0.020 0.000 0.742 528 K HN 0.421 nan 8.250 nan 0.000 0.458 529 I N -0.740 119.847 120.570 0.029 0.000 3.172 529 I HA 0.160 4.330 4.170 -0.000 0.000 0.278 529 I C 1.069 177.207 176.117 0.035 0.000 1.174 529 I CA 0.514 61.877 61.300 0.105 0.000 1.445 529 I CB 0.047 38.254 38.000 0.345 0.000 1.175 529 I HN 0.110 nan 8.210 nan 0.000 0.447 530 G N -0.478 108.288 108.800 -0.057 0.000 2.328 530 G HA2 0.431 4.391 3.960 -0.000 0.000 0.295 530 G HA3 0.431 4.391 3.960 -0.000 0.000 0.295 530 G C -0.574 174.189 174.900 -0.227 0.000 1.413 530 G CA -0.219 44.824 45.100 -0.096 0.000 0.817 530 G HN 0.263 nan 8.290 nan 0.000 0.546 531 G N -1.024 107.638 108.800 -0.229 0.000 2.606 531 G HA2 0.537 4.497 3.960 -0.000 0.000 0.252 531 G HA3 0.537 4.497 3.960 -0.000 0.000 0.252 531 G C -0.127 174.597 174.900 -0.294 0.000 1.206 531 G CA -0.454 44.428 45.100 -0.364 0.000 0.861 531 G HN 0.480 nan 8.290 nan 0.000 0.561 532 F N -0.699 119.158 119.950 -0.156 0.000 2.553 532 F HA 0.184 4.711 4.527 -0.000 0.000 0.356 532 F C 0.710 176.450 175.800 -0.100 0.000 1.142 532 F CA -0.793 57.109 58.000 -0.163 0.000 1.322 532 F CB 0.557 39.451 39.000 -0.177 0.000 1.126 532 F HN 0.160 nan 8.300 nan 0.000 0.599 533 L N 5.824 127.120 121.223 0.122 0.000 2.315 533 L HA 0.410 4.750 4.340 -0.000 0.000 0.283 533 L C -2.384 174.533 176.870 0.078 0.000 1.089 533 L CA -2.060 52.825 54.840 0.075 0.000 0.833 533 L CB 0.049 42.146 42.059 0.063 0.000 1.170 533 L HN 0.284 nan 8.230 nan 0.000 0.442 534 P HA 0.155 nan 4.420 nan 0.000 0.263 534 P C 0.663 178.013 177.300 0.083 0.000 1.175 534 P CA 1.138 64.278 63.100 0.066 0.000 0.761 534 P CB 0.571 32.304 31.700 0.056 0.000 0.794 535 G N 1.982 110.826 108.800 0.073 0.000 2.205 535 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.261 535 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.261 535 G C 0.470 175.454 174.900 0.140 0.000 0.980 535 G CA 0.292 45.454 45.100 0.103 0.000 0.632 535 G HN 0.534 nan 8.290 nan 0.000 0.533 536 S N 0.644 116.400 115.700 0.092 0.000 2.474 536 S HA 0.513 4.983 4.470 -0.000 0.000 0.224 536 S C 0.436 174.950 174.600 -0.144 0.000 1.209 536 S CA -0.565 57.677 58.200 0.069 0.000 1.212 536 S CB 0.297 63.517 63.200 0.033 0.000 1.137 536 S HN 0.459 nan 8.310 nan 0.000 0.446 537 L N 2.402 123.536 121.223 -0.148 0.000 2.453 537 L HA 0.371 4.711 4.340 -0.000 0.000 0.261 537 L C -2.105 174.472 176.870 -0.489 0.000 1.179 537 L CA -2.282 52.338 54.840 -0.368 0.000 0.813 537 L CB -0.003 41.909 42.059 -0.244 0.000 1.110 537 L HN 0.070 nan 8.230 nan 0.000 0.466 538 P HA 0.009 nan 4.420 nan 0.000 0.264 538 P C -1.390 175.682 177.300 -0.379 0.000 1.193 538 P CA 0.119 62.825 63.100 -0.656 0.000 0.763 538 P CB 0.436 31.660 31.700 -0.794 0.000 0.810 539 Q N 1.542 121.162 119.800 -0.299 0.000 2.472 539 Q HA 0.469 4.809 4.340 -0.000 0.000 0.281 539 Q C -1.425 174.438 176.000 -0.228 0.000 0.997 539 Q CA -0.865 54.844 55.803 -0.156 0.000 0.828 539 Q CB 0.655 29.378 28.738 -0.024 0.000 1.443 539 Q HN 0.088 nan 8.270 nan 0.000 0.390 540 F N 1.507 121.401 119.950 -0.093 0.000 2.443 540 F HA 0.294 4.821 4.527 -0.000 0.000 0.353 540 F C 0.611 176.379 175.800 -0.054 0.000 1.101 540 F CA -0.234 57.712 58.000 -0.090 0.000 1.226 540 F CB 0.903 39.837 39.000 -0.109 0.000 1.140 540 F HN 0.392 nan 8.300 nan 0.000 0.557 541 M N 1.917 121.573 119.600 0.093 0.000 2.288 541 M HA 0.129 4.609 4.480 -0.000 0.000 0.334 541 M C 0.238 176.583 176.300 0.074 0.000 1.150 541 M CA -0.524 54.799 55.300 0.039 0.000 1.118 541 M CB 0.751 33.332 32.600 -0.032 0.000 1.501 541 M HN 0.593 nan 8.290 nan 0.000 0.462 542 E N 3.009 123.227 120.200 0.031 0.000 2.502 542 E HA 0.011 4.361 4.350 -0.000 0.000 0.261 542 E C -2.174 174.452 176.600 0.043 0.000 0.974 542 E CA -1.193 55.225 56.400 0.030 0.000 0.936 542 E CB 0.398 30.092 29.700 -0.010 0.000 0.926 542 E HN 0.204 nan 8.360 nan 0.000 0.459 543 P HA 0.042 nan 4.420 nan 0.000 0.263 543 P C 0.269 177.513 177.300 -0.093 0.000 1.195 543 P CA 1.098 64.252 63.100 0.090 0.000 0.762 543 P CB 0.691 32.443 31.700 0.087 0.000 0.799 544 G N 2.625 111.368 108.800 -0.095 0.000 2.225 544 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.254 544 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.254 544 G C 0.800 175.648 174.900 -0.086 0.000 0.988 544 G CA 0.192 45.191 45.100 -0.168 0.000 0.625 544 G HN 0.516 nan 8.290 nan 0.000 0.527 545 L N 0.942 122.134 121.223 -0.053 0.000 2.129 545 L HA 0.059 4.399 4.340 -0.000 0.000 0.212 545 L C 2.891 179.740 176.870 -0.036 0.000 1.087 545 L CA 2.520 57.334 54.840 -0.044 0.000 0.757 545 L CB -0.487 41.542 42.059 -0.049 0.000 0.896 545 L HN 0.489 nan 8.230 nan 0.000 0.434 546 V N -0.084 119.811 119.914 -0.031 0.000 2.380 546 V HA -0.232 3.888 4.120 -0.000 0.000 0.251 546 V C 1.527 177.530 176.094 -0.152 0.000 1.063 546 V CA 1.578 63.834 62.300 -0.073 0.000 1.055 546 V CB -0.237 31.579 31.823 -0.012 0.000 0.657 546 V HN 0.499 nan 8.190 nan 0.000 0.455 547 L N -0.040 121.160 121.223 -0.039 0.000 3.548 547 L HA -0.230 4.110 4.340 -0.000 0.000 0.443 547 L C 0.249 177.256 176.870 0.228 0.000 1.286 547 L CA 0.848 55.724 54.840 0.061 0.000 0.863 547 L CB -2.484 39.623 42.059 0.080 0.000 1.734 547 L HN 0.583 nan 8.230 nan 0.000 0.873 548 H N -0.705 118.458 119.070 0.156 0.000 2.492 548 H HA 0.272 4.828 4.556 -0.000 0.000 0.264 548 H C 0.500 175.960 175.328 0.219 0.000 1.150 548 H CA -1.119 55.066 56.048 0.227 0.000 0.962 548 H CB 0.741 30.676 29.762 0.289 0.000 1.766 548 H HN 0.190 nan 8.280 nan 0.000 0.589 549 L N 2.052 123.413 121.223 0.230 0.000 2.578 549 L HA 0.147 4.487 4.340 -0.000 0.000 0.279 549 L C 0.674 177.673 176.870 0.214 0.000 1.227 549 L CA 0.829 55.753 54.840 0.140 0.000 0.900 549 L CB 0.274 42.379 42.059 0.077 0.000 1.144 549 L HN 0.319 nan 8.230 nan 0.000 0.496 550 G N 1.879 110.812 108.800 0.222 0.000 2.730 550 G HA2 0.534 4.494 3.960 -0.000 0.000 0.289 550 G HA3 0.534 4.494 3.960 -0.000 0.000 0.289 550 G C 0.359 175.360 174.900 0.169 0.000 1.341 550 G CA -0.265 44.996 45.100 0.268 0.000 0.932 550 G HN 1.287 nan 8.290 nan 0.000 0.481 551 G N -1.221 107.653 108.800 0.122 0.000 2.189 551 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.267 551 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.267 551 G C 1.392 176.356 174.900 0.106 0.000 0.975 551 G CA 1.745 46.918 45.100 0.122 0.000 0.644 551 G HN 1.870 nan 8.290 nan 0.000 0.537 552 T N -2.057 112.516 114.554 0.032 0.000 2.962 552 T HA 0.086 4.436 4.350 -0.000 0.000 0.270 552 T C 1.143 175.943 174.700 0.167 0.000 1.088 552 T CA 1.912 64.076 62.100 0.107 0.000 1.127 552 T CB -0.275 68.666 68.868 0.121 0.000 0.883 552 T HN 1.509 nan 8.240 nan 0.000 0.493 553 H N -0.119 119.026 119.070 0.125 0.000 2.712 553 H HA 0.465 5.021 4.556 -0.000 0.000 0.226 553 H C -0.085 175.285 175.328 0.069 0.000 1.422 553 H CA -1.356 54.740 56.048 0.081 0.000 1.270 553 H CB -0.341 29.436 29.762 0.026 0.000 1.891 553 H HN 0.364 nan 8.280 nan 0.000 0.518 554 R N 0.664 121.249 120.500 0.141 0.000 2.641 554 R HA 0.281 4.621 4.340 -0.000 0.000 0.269 554 R C -0.315 176.040 176.300 0.092 0.000 1.074 554 R CA -0.690 55.462 56.100 0.088 0.000 1.133 554 R CB 0.943 31.290 30.300 0.079 0.000 1.029 554 R HN 0.479 nan 8.270 nan 0.000 0.488 555 M N 1.406 121.035 119.600 0.048 0.000 2.314 555 M HA 0.461 4.941 4.480 -0.000 0.000 0.342 555 M C -0.539 175.753 176.300 -0.013 0.000 1.171 555 M CA 0.211 55.515 55.300 0.006 0.000 1.098 555 M CB 1.608 34.189 32.600 -0.032 0.000 1.559 555 M HN 0.949 nan 8.290 nan 0.000 0.459 556 G N 2.179 110.981 108.800 0.003 0.000 2.550 556 G HA2 0.394 4.354 3.960 -0.000 0.000 0.293 556 G HA3 0.394 4.354 3.960 -0.000 0.000 0.293 556 G C -0.916 174.000 174.900 0.026 0.000 1.402 556 G CA -0.705 44.350 45.100 -0.076 0.000 0.784 556 G HN 0.670 nan 8.290 nan 0.000 0.482 557 F N 0.002 120.053 119.950 0.169 0.000 2.206 557 F HA 0.242 4.769 4.527 -0.000 0.000 0.298 557 F C 1.158 177.094 175.800 0.227 0.000 1.090 557 F CA 1.160 59.262 58.000 0.170 0.000 1.323 557 F CB 0.327 39.385 39.000 0.096 0.000 1.028 557 F HN 0.395 nan 8.300 nan 0.000 0.492 558 D N -1.065 119.507 120.400 0.285 0.000 2.757 558 D HA 0.135 4.775 4.640 -0.000 0.000 0.249 558 D C 0.731 176.874 176.300 -0.261 0.000 1.168 558 D CA -0.248 53.758 54.000 0.010 0.000 0.870 558 D CB 1.339 42.157 40.800 0.032 0.000 1.411 558 D HN 0.083 nan 8.370 nan 0.000 0.525 559 E N 3.128 122.794 120.200 -0.890 0.000 2.070 559 E HA -0.298 4.052 4.350 -0.000 0.000 0.197 559 E C 1.354 177.769 176.600 -0.309 0.000 1.004 559 E CA 1.391 57.255 56.400 -0.892 0.000 0.805 559 E CB 0.257 29.314 29.700 -1.072 0.000 0.744 559 E HN 0.446 nan 8.360 nan 0.000 0.451 560 K N 0.056 120.321 120.400 -0.225 0.000 2.044 560 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 560 K C 1.993 178.560 176.600 -0.055 0.000 1.049 560 K CA 1.339 57.567 56.287 -0.099 0.000 0.945 560 K CB 0.084 32.540 32.500 -0.073 0.000 0.724 560 K HN 0.092 nan 8.250 nan 0.000 0.440 561 E N 0.241 120.414 120.200 -0.046 0.000 2.152 561 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 561 E C 0.680 177.278 176.600 -0.003 0.000 0.983 561 E CA 0.955 57.351 56.400 -0.007 0.000 0.818 561 E CB 0.184 29.894 29.700 0.017 0.000 0.758 561 E HN 0.358 nan 8.360 nan 0.000 0.467 562 D N 0.102 120.493 120.400 -0.015 0.000 2.395 562 D HA 0.060 4.700 4.640 -0.000 0.000 0.213 562 D C -0.650 175.586 176.300 -0.105 0.000 1.110 562 D CA -0.027 53.959 54.000 -0.023 0.000 0.835 562 D CB 0.145 40.968 40.800 0.038 0.000 0.965 562 D HN 0.062 nan 8.370 nan 0.000 0.505 563 N N 0.643 119.280 118.700 -0.105 0.000 2.667 563 N HA -0.187 4.553 4.740 -0.000 0.000 0.263 563 N C -0.307 175.129 175.510 -0.124 0.000 1.038 563 N CA 0.600 53.565 53.050 -0.142 0.000 0.749 563 N CB -1.421 36.844 38.487 -0.369 0.000 0.892 563 N HN 0.409 nan 8.380 nan 0.000 0.546 564 C N -3.382 115.928 119.300 0.016 0.000 3.340 564 C HA 0.780 5.240 4.460 -0.000 0.000 0.333 564 C C 1.276 176.454 174.990 0.315 0.000 1.464 564 C CA -0.625 58.477 59.018 0.140 0.000 1.337 564 C CB 1.553 29.391 27.740 0.164 0.000 1.740 564 C HN 0.487 nan 8.230 nan 0.000 0.450 565 C N 0.240 119.752 119.300 0.353 0.000 2.937 565 C HA 0.515 4.975 4.460 -0.000 0.000 0.426 565 C C 0.633 175.714 174.990 0.152 0.000 1.321 565 C CA 0.675 59.886 59.018 0.322 0.000 2.082 565 C CB -0.194 27.658 27.740 0.186 0.000 2.834 565 C HN 0.996 nan 8.230 nan 0.000 0.593 566 V N 1.360 121.241 119.914 -0.054 0.000 2.962 566 V HA 0.704 4.824 4.120 -0.000 0.000 0.313 566 V C -0.787 174.944 176.094 -0.604 0.000 1.099 566 V CA -0.640 61.385 62.300 -0.458 0.000 0.971 566 V CB 1.542 33.242 31.823 -0.204 0.000 1.028 566 V HN 0.412 nan 8.190 nan 0.000 0.430 567 N N 1.145 119.341 118.700 -0.840 0.000 2.366 567 N HA 0.239 4.979 4.740 -0.000 0.000 0.277 567 N C 1.081 176.454 175.510 -0.228 0.000 1.275 567 N CA 0.285 53.068 53.050 -0.446 0.000 0.964 567 N CB 0.022 38.276 38.487 -0.387 0.000 1.167 567 N HN 0.956 nan 8.380 nan 0.000 0.568 568 T N -4.679 109.793 114.554 -0.138 0.000 3.113 568 T HA -0.011 4.339 4.350 -0.000 0.000 0.263 568 T C 0.127 174.752 174.700 -0.125 0.000 1.143 568 T CA 0.700 62.718 62.100 -0.136 0.000 1.090 568 T CB -0.388 68.426 68.868 -0.090 0.000 0.922 568 T HN 0.453 nan 8.240 nan 0.000 0.521 569 D N 1.070 121.388 120.400 -0.136 0.000 2.328 569 D HA 0.188 4.828 4.640 -0.000 0.000 0.221 569 D C 0.515 176.826 176.300 0.017 0.000 1.072 569 D CA 0.105 54.041 54.000 -0.107 0.000 0.850 569 D CB 0.103 40.721 40.800 -0.303 0.000 0.922 569 D HN 0.340 nan 8.370 nan 0.000 0.516 570 S N 0.308 115.989 115.700 -0.030 0.000 3.561 570 S HA -0.261 4.209 4.470 -0.000 0.000 0.318 570 S C 0.543 175.162 174.600 0.033 0.000 1.181 570 S CA 0.427 58.647 58.200 0.033 0.000 0.916 570 S CB -1.375 61.909 63.200 0.141 0.000 0.966 570 S HN 0.459 nan 8.310 nan 0.000 0.550 571 R N 1.152 121.544 120.500 -0.180 0.000 2.297 571 R HA 0.461 4.801 4.340 -0.000 0.000 0.308 571 R C -0.038 175.963 176.300 -0.499 0.000 1.029 571 R CA -0.435 55.363 56.100 -0.503 0.000 0.929 571 R CB 0.694 30.649 30.300 -0.575 0.000 1.046 571 R HN 0.144 nan 8.270 nan 0.000 0.461 572 V N 6.274 125.926 119.914 -0.437 0.000 2.529 572 V HA -0.013 4.107 4.120 -0.000 0.000 0.292 572 V C 0.218 176.252 176.094 -0.101 0.000 1.028 572 V CA 0.267 62.393 62.300 -0.291 0.000 1.074 572 V CB -0.148 31.489 31.823 -0.309 0.000 0.958 572 V HN 0.565 nan 8.190 nan 0.000 0.481 573 F N 3.858 123.847 119.950 0.065 0.000 2.623 573 F HA 0.384 4.911 4.527 -0.000 0.000 0.383 573 F C 1.584 177.510 175.800 0.209 0.000 1.077 573 F CA 1.523 59.586 58.000 0.104 0.000 1.268 573 F CB -0.062 38.995 39.000 0.094 0.000 1.053 573 F HN 0.794 nan 8.300 nan 0.000 0.571 574 G N 2.181 111.167 108.800 0.310 0.000 2.253 574 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.251 574 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.251 574 G C -0.093 174.757 174.900 -0.084 0.000 0.998 574 G CA -0.414 44.756 45.100 0.117 0.000 0.621 574 G HN 0.441 nan 8.290 nan 0.000 0.524 575 F N 1.024 121.000 119.950 0.042 0.000 2.427 575 F HA 0.610 5.137 4.527 -0.000 0.000 0.346 575 F C 1.367 177.150 175.800 -0.028 0.000 1.120 575 F CA -0.950 57.059 58.000 0.014 0.000 1.033 575 F CB 1.684 40.690 39.000 0.009 0.000 1.126 575 F HN -0.237 nan 8.300 nan 0.000 0.462 576 K N 1.755 122.245 120.400 0.151 0.000 2.148 576 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 576 K C 0.706 177.505 176.600 0.333 0.000 1.050 576 K CA 1.108 57.522 56.287 0.212 0.000 0.942 576 K CB 0.005 32.635 32.500 0.217 0.000 0.724 576 K HN 0.684 nan 8.250 nan 0.000 0.446 577 N N -0.123 118.739 118.700 0.269 0.000 2.387 577 N HA 0.031 4.771 4.740 -0.000 0.000 0.259 577 N C -0.830 174.780 175.510 0.167 0.000 1.369 577 N CA -0.327 52.931 53.050 0.348 0.000 0.867 577 N CB -0.133 38.617 38.487 0.439 0.000 1.341 577 N HN -0.082 nan 8.380 nan 0.000 0.495 578 L N 0.731 121.833 121.223 -0.202 0.000 2.349 578 L HA 0.705 5.045 4.340 -0.000 0.000 0.278 578 L C -1.805 174.691 176.870 -0.623 0.000 0.996 578 L CA -0.599 54.103 54.840 -0.230 0.000 0.825 578 L CB 0.904 42.821 42.059 -0.237 0.000 1.243 578 L HN -0.010 nan 8.230 nan 0.000 0.412 579 F N 4.848 124.721 119.950 -0.129 0.000 2.563 579 F HA 0.671 5.198 4.527 -0.000 0.000 0.316 579 F C -0.579 175.076 175.800 -0.242 0.000 1.076 579 F CA -0.714 57.190 58.000 -0.159 0.000 0.921 579 F CB 1.842 40.778 39.000 -0.107 0.000 1.209 579 F HN 0.172 nan 8.300 nan 0.000 0.462 580 L N 1.811 123.006 121.223 -0.046 0.000 2.346 580 L HA 0.855 5.195 4.340 -0.000 0.000 0.276 580 L C 0.027 176.918 176.870 0.035 0.000 1.006 580 L CA -0.809 53.933 54.840 -0.163 0.000 0.817 580 L CB 1.935 43.755 42.059 -0.398 0.000 1.272 580 L HN 0.790 nan 8.230 nan 0.000 0.421 581 G N 0.476 109.312 108.800 0.059 0.000 2.482 581 G HA2 0.793 4.753 3.960 -0.000 0.000 0.317 581 G HA3 0.793 4.753 3.960 -0.000 0.000 0.317 581 G C -0.462 174.566 174.900 0.213 0.000 1.241 581 G CA -0.271 44.967 45.100 0.231 0.000 0.967 581 G HN 0.958 nan 8.290 nan 0.000 0.482 582 G N -1.119 107.795 108.800 0.191 0.000 2.353 582 G HA2 0.074 4.034 3.960 -0.000 0.000 0.424 582 G HA3 0.074 4.034 3.960 -0.000 0.000 0.424 582 G C 0.687 175.633 174.900 0.076 0.000 1.320 582 G CA 0.035 45.221 45.100 0.142 0.000 0.995 582 G HN 1.154 nan 8.290 nan 0.000 0.580 583 C N 0.592 119.915 119.300 0.039 0.000 2.437 583 C HA 0.252 4.712 4.460 -0.000 0.000 0.283 583 C C 2.947 177.908 174.990 -0.048 0.000 1.424 583 C CA 1.558 60.577 59.018 0.002 0.000 1.782 583 C CB -1.262 26.514 27.740 0.059 0.000 1.833 583 C HN 1.243 nan 8.230 nan 0.000 0.532 584 G N 1.308 109.978 108.800 -0.216 0.000 2.470 584 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 584 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 584 G C 1.432 175.965 174.900 -0.613 0.000 1.121 584 G CA 0.638 45.355 45.100 -0.640 0.000 0.766 584 G HN 0.542 nan 8.290 nan 0.000 0.553 585 N N 0.380 118.919 118.700 -0.268 0.000 2.331 585 N HA 0.017 4.757 4.740 -0.000 0.000 0.180 585 N C 0.922 176.438 175.510 0.009 0.000 1.019 585 N CA 0.192 53.236 53.050 -0.010 0.000 0.881 585 N CB 0.038 38.573 38.487 0.080 0.000 0.972 585 N HN 0.303 nan 8.380 nan 0.000 0.435 586 I N 2.944 123.522 120.570 0.012 0.000 2.517 586 I HA 0.040 4.210 4.170 -0.000 0.000 0.285 586 I C -1.372 174.835 176.117 0.150 0.000 1.106 586 I CA -1.019 60.320 61.300 0.066 0.000 1.402 586 I CB 1.261 39.252 38.000 -0.015 0.000 1.399 586 I HN -0.060 nan 8.210 nan 0.000 0.535 587 P HA 0.068 nan 4.420 nan 0.000 0.267 587 P C 0.217 177.603 177.300 0.144 0.000 1.289 587 P CA 0.199 63.368 63.100 0.114 0.000 0.866 587 P CB 0.241 31.966 31.700 0.042 0.000 1.309 588 T N -2.239 112.436 114.554 0.201 0.000 2.912 588 T HA 0.692 5.042 4.350 -0.000 0.000 0.280 588 T C 0.168 174.997 174.700 0.215 0.000 0.989 588 T CA -0.884 61.321 62.100 0.175 0.000 0.995 588 T CB 1.251 70.204 68.868 0.141 0.000 1.077 588 T HN 0.052 nan 8.240 nan 0.000 0.531 589 A N 1.826 124.703 122.820 0.096 0.000 2.302 589 A HA 0.607 4.927 4.320 -0.000 0.000 0.295 589 A C -0.678 176.856 177.584 -0.082 0.000 1.235 589 A CA -0.829 51.208 52.037 -0.000 0.000 0.876 589 A CB -0.878 18.148 19.000 0.044 0.000 1.133 589 A HN 0.884 nan 8.150 nan 0.000 0.533 590 Y N -0.290 119.913 120.300 -0.162 0.000 2.477 590 Y HA 0.701 5.251 4.550 -0.000 0.000 0.347 590 Y C 0.705 176.458 175.900 -0.245 0.000 0.981 590 Y CA -0.683 57.123 58.100 -0.491 0.000 1.033 590 Y CB 1.367 39.333 38.460 -0.822 0.000 1.245 590 Y HN 0.396 nan 8.280 nan 0.000 0.455 591 G N 0.828 109.520 108.800 -0.180 0.000 2.673 591 G HA2 0.375 4.335 3.960 -0.000 0.000 0.208 591 G HA3 0.375 4.335 3.960 -0.000 0.000 0.208 591 G C 0.503 175.491 174.900 0.146 0.000 1.128 591 G CA 0.194 45.409 45.100 0.191 0.000 0.805 591 G HN 0.959 nan 8.290 nan 0.000 0.526 592 A N 0.741 123.458 122.820 -0.171 0.000 2.386 592 A HA 0.456 4.775 4.320 -0.000 0.000 0.246 592 A C -0.067 177.405 177.584 -0.186 0.000 1.089 592 A CA -0.435 51.383 52.037 -0.365 0.000 0.790 592 A CB 0.028 18.814 19.000 -0.357 0.000 1.042 592 A HN 0.358 nan 8.150 nan 0.000 0.497 593 N N 1.729 120.191 118.700 -0.397 0.000 2.468 593 N HA 0.255 4.995 4.740 -0.000 0.000 0.265 593 N C -2.032 173.371 175.510 -0.178 0.000 1.199 593 N CA -0.979 51.810 53.050 -0.434 0.000 0.928 593 N CB 0.508 38.834 38.487 -0.268 0.000 1.059 593 N HN 0.404 nan 8.380 nan 0.000 0.467 594 P HA 0.000 nan 4.420 nan 0.000 0.245 594 P C 0.469 177.654 177.300 -0.192 0.000 1.203 594 P CA 0.614 63.590 63.100 -0.206 0.000 0.792 594 P CB 0.321 31.871 31.700 -0.251 0.000 0.997 595 T N 1.047 115.574 114.554 -0.046 0.000 2.720 595 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 595 T C 1.783 176.569 174.700 0.144 0.000 1.037 595 T CA 1.034 63.174 62.100 0.067 0.000 1.144 595 T CB -0.848 68.095 68.868 0.125 0.000 0.864 595 T HN 0.016 nan 8.240 nan 0.000 0.444 596 L N 1.086 122.412 121.223 0.171 0.000 2.042 596 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 596 L C 2.552 179.494 176.870 0.120 0.000 1.076 596 L CA 1.801 56.788 54.840 0.245 0.000 0.749 596 L CB -1.100 41.082 42.059 0.206 0.000 0.893 596 L HN 0.203 nan 8.230 nan 0.000 0.432 597 T N -0.378 114.111 114.554 -0.108 0.000 2.708 597 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 597 T C 1.907 176.517 174.700 -0.150 0.000 1.037 597 T CA 1.313 63.255 62.100 -0.263 0.000 1.146 597 T CB -0.548 67.719 68.868 -1.003 0.000 0.865 597 T HN 0.523 nan 8.240 nan 0.000 0.435 598 A N 1.469 124.202 122.820 -0.146 0.000 1.908 598 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 598 A C 2.327 179.872 177.584 -0.066 0.000 1.181 598 A CA 1.920 53.913 52.037 -0.074 0.000 0.627 598 A CB -0.769 18.209 19.000 -0.038 0.000 0.818 598 A HN 0.518 nan 8.150 nan 0.000 0.445 599 M N -0.257 119.311 119.600 -0.053 0.000 2.080 599 M HA -0.162 4.318 4.480 -0.000 0.000 0.260 599 M C 2.214 178.420 176.300 -0.157 0.000 1.068 599 M CA 2.166 57.404 55.300 -0.104 0.000 1.109 599 M CB -0.176 32.362 32.600 -0.104 0.000 1.342 599 M HN 0.390 nan 8.290 nan 0.000 0.405 600 S N 1.052 116.667 115.700 -0.141 0.000 2.370 600 S HA -0.161 4.309 4.470 -0.000 0.000 0.226 600 S C 1.745 176.158 174.600 -0.312 0.000 1.033 600 S CA 1.531 59.585 58.200 -0.244 0.000 1.011 600 S CB -0.588 62.429 63.200 -0.306 0.000 0.852 600 S HN 0.513 nan 8.310 nan 0.000 0.457 601 L N 0.963 122.039 121.223 -0.245 0.000 2.093 601 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 601 L C 2.782 179.513 176.870 -0.232 0.000 1.085 601 L CA 1.092 55.785 54.840 -0.245 0.000 0.755 601 L CB -0.708 41.276 42.059 -0.127 0.000 0.904 601 L HN 0.326 nan 8.230 nan 0.000 0.435 602 A N 0.365 123.038 122.820 -0.245 0.000 1.933 602 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 602 A C 2.222 179.488 177.584 -0.530 0.000 1.175 602 A CA 1.443 53.215 52.037 -0.442 0.000 0.628 602 A CB -0.609 18.111 19.000 -0.466 0.000 0.814 602 A HN 0.337 nan 8.150 nan 0.000 0.444 603 I N -0.498 119.852 120.570 -0.366 0.000 2.179 603 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 603 I C 2.548 178.503 176.117 -0.270 0.000 1.088 603 I CA 1.961 63.083 61.300 -0.297 0.000 1.357 603 I CB -0.217 37.623 38.000 -0.266 0.000 1.051 603 I HN 0.404 nan 8.210 nan 0.000 0.409 604 K N 0.502 120.738 120.400 -0.274 0.000 2.063 604 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 604 K C 2.334 178.844 176.600 -0.150 0.000 1.048 604 K CA 1.878 58.034 56.287 -0.220 0.000 0.928 604 K CB -0.168 32.165 32.500 -0.277 0.000 0.713 604 K HN 0.127 nan 8.250 nan 0.000 0.442 605 S N -0.101 115.492 115.700 -0.178 0.000 2.370 605 S HA -0.176 4.294 4.470 -0.000 0.000 0.226 605 S C 2.019 176.521 174.600 -0.163 0.000 1.033 605 S CA 1.495 59.627 58.200 -0.113 0.000 1.011 605 S CB -0.524 62.648 63.200 -0.047 0.000 0.852 605 S HN 0.587 nan 8.310 nan 0.000 0.457 606 C N 1.412 120.544 119.300 -0.279 0.000 2.432 606 C HA 0.042 4.502 4.460 -0.000 0.000 0.280 606 C C 2.492 177.402 174.990 -0.133 0.000 1.353 606 C CA 0.599 59.468 59.018 -0.248 0.000 1.766 606 C CB -1.427 26.132 27.740 -0.303 0.000 1.924 606 C HN 0.680 nan 8.230 nan 0.000 0.509 607 E N -0.620 119.524 120.200 -0.092 0.000 2.072 607 E HA -0.227 4.122 4.350 -0.000 0.000 0.191 607 E C 1.817 178.428 176.600 0.019 0.000 0.985 607 E CA 1.302 57.679 56.400 -0.038 0.000 0.801 607 E CB -0.273 29.399 29.700 -0.048 0.000 0.750 607 E HN 0.832 nan 8.360 nan 0.000 0.452 608 Y N 1.149 121.414 120.300 -0.059 0.000 2.200 608 Y HA -0.177 4.373 4.550 -0.000 0.000 0.290 608 Y C 1.916 177.844 175.900 0.047 0.000 1.137 608 Y CA 1.333 59.441 58.100 0.013 0.000 1.163 608 Y CB -0.027 38.476 38.460 0.071 0.000 0.988 608 Y HN -0.062 nan 8.280 nan 0.000 0.518 609 I N 0.313 120.914 120.570 0.052 0.000 2.226 609 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 609 I C 2.305 178.461 176.117 0.064 0.000 1.100 609 I CA 1.564 62.882 61.300 0.030 0.000 1.374 609 I CB -0.371 37.436 38.000 -0.321 0.000 1.057 609 I HN 0.134 nan 8.210 nan 0.000 0.413 610 K N 0.337 120.736 120.400 -0.002 0.000 2.147 610 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 610 K C 1.972 178.621 176.600 0.082 0.000 1.049 610 K CA 1.140 57.497 56.287 0.117 0.000 0.936 610 K CB -0.084 32.468 32.500 0.086 0.000 0.722 610 K HN 0.455 nan 8.250 nan 0.000 0.446 611 Q N -0.299 119.476 119.800 -0.041 0.000 2.432 611 Q HA 0.041 4.381 4.340 -0.000 0.000 0.205 611 Q C 0.915 176.801 176.000 -0.189 0.000 0.945 611 Q CA 0.489 56.229 55.803 -0.104 0.000 0.924 611 Q CB 0.390 29.046 28.738 -0.138 0.000 1.016 611 Q HN 0.300 nan 8.270 nan 0.000 0.503 612 N N -0.946 117.607 118.700 -0.245 0.000 2.166 612 N HA 0.149 4.889 4.740 -0.000 0.000 0.213 612 N C -0.927 174.200 175.510 -0.639 0.000 1.222 612 N CA 0.230 52.992 53.050 -0.480 0.000 0.900 612 N CB 1.004 39.021 38.487 -0.784 0.000 1.055 612 N HN -0.012 nan 8.380 nan 0.000 0.515 613 F N 0.445 120.410 119.950 0.026 0.000 2.569 613 F HA 0.338 4.865 4.527 -0.000 0.000 0.312 613 F C 0.073 176.000 175.800 0.211 0.000 1.109 613 F CA -0.657 57.420 58.000 0.127 0.000 0.919 613 F CB 1.881 40.970 39.000 0.147 0.000 1.211 613 F HN -0.379 nan 8.300 nan 0.000 0.446 614 T N 3.876 118.607 114.554 0.294 0.000 2.795 614 T HA 0.431 4.781 4.350 -0.000 0.000 0.282 614 T C -2.556 172.154 174.700 0.018 0.000 0.980 614 T CA -1.437 60.728 62.100 0.108 0.000 1.012 614 T CB 1.198 70.090 68.868 0.039 0.000 0.936 614 T HN 0.128 nan 8.240 nan 0.000 0.457 615 P HA 0.156 nan 4.420 nan 0.000 0.269 615 P C -0.027 177.190 177.300 -0.139 0.000 1.209 615 P CA -0.494 62.353 63.100 -0.422 0.000 0.776 615 P CB 0.297 31.602 31.700 -0.658 0.000 0.876 616 S N 2.764 118.422 115.700 -0.071 0.000 2.579 616 S HA 0.293 4.763 4.470 -0.000 0.000 0.275 616 S C -2.060 172.519 174.600 -0.036 0.000 1.345 616 S CA -0.955 57.224 58.200 -0.035 0.000 1.031 616 S CB -0.767 62.414 63.200 -0.031 0.000 0.892 616 S HN 0.331 nan 8.310 nan 0.000 0.529 617 P HA 0.170 nan 4.420 nan 0.000 0.271 617 P C -0.758 176.597 177.300 0.092 0.000 1.216 617 P CA -0.455 62.669 63.100 0.040 0.000 0.776 617 P CB 0.143 31.864 31.700 0.035 0.000 0.881 618 F N 3.146 123.078 119.950 -0.029 0.000 2.487 618 F HA 0.126 4.653 4.527 -0.000 0.000 0.364 618 F C 1.201 176.992 175.800 -0.016 0.000 1.126 618 F CA -0.027 57.962 58.000 -0.019 0.000 1.135 618 F CB -0.365 38.625 39.000 -0.016 0.000 1.127 618 F HN 0.229 nan 8.300 nan 0.000 0.559 619 T N 0.000 114.751 114.554 0.329 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.232 62.100 0.220 0.000 1.349 619 T CB 0.000 68.916 68.868 0.079 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658