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 2igo_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 0.000 176.255 176.300 -0.075 0.000 1.140 43 M CA 0.000 55.253 55.300 -0.079 0.000 0.988 43 M CB 0.000 32.345 32.600 -0.425 0.000 1.302 44 D N 3.742 124.139 120.400 -0.006 0.000 2.368 44 D HA 0.316 4.956 4.640 -0.000 0.000 0.240 44 D C 1.123 177.343 176.300 -0.135 0.000 1.169 44 D CA 0.157 54.060 54.000 -0.161 0.000 0.906 44 D CB 0.834 41.400 40.800 -0.390 0.000 1.187 44 D HN 0.726 nan 8.370 nan 0.000 0.435 45 I N -2.345 118.140 120.570 -0.142 0.000 4.025 45 I HA 0.290 4.460 4.170 -0.000 0.000 0.336 45 I C 0.169 176.276 176.117 -0.017 0.000 1.390 45 I CA -0.277 61.010 61.300 -0.023 0.000 1.099 45 I CB 0.036 38.032 38.000 -0.007 0.000 1.049 45 I HN -0.060 nan 8.210 nan 0.000 0.394 46 K N 0.789 121.046 120.400 -0.238 0.000 2.397 46 K HA 0.641 4.961 4.320 -0.000 0.000 0.253 46 K C -1.888 174.416 176.600 -0.493 0.000 0.932 46 K CA -0.613 55.558 56.287 -0.194 0.000 0.795 46 K CB 1.154 33.581 32.500 -0.122 0.000 1.159 46 K HN 0.136 nan 8.250 nan 0.000 0.424 47 Y N 0.947 121.237 120.300 -0.017 0.000 2.615 47 Y HA 0.237 4.787 4.550 -0.000 0.000 0.341 47 Y C 0.569 176.440 175.900 -0.047 0.000 1.089 47 Y CA -0.817 57.265 58.100 -0.030 0.000 1.049 47 Y CB 1.925 40.366 38.460 -0.031 0.000 1.296 47 Y HN 0.605 nan 8.280 nan 0.000 0.470 48 D N 0.183 120.658 120.400 0.125 0.000 2.097 48 D HA 0.017 4.657 4.640 -0.000 0.000 0.197 48 D C -0.305 175.980 176.300 -0.025 0.000 0.984 48 D CA 1.561 55.616 54.000 0.092 0.000 0.826 48 D CB 0.276 41.200 40.800 0.208 0.000 0.973 48 D HN 0.104 nan 8.370 nan 0.000 0.460 49 V N 1.051 120.942 119.914 -0.038 0.000 2.623 49 V HA 0.326 4.446 4.120 -0.000 0.000 0.304 49 V C -0.368 175.630 176.094 -0.160 0.000 1.054 49 V CA -1.048 61.139 62.300 -0.188 0.000 0.882 49 V CB 2.470 34.151 31.823 -0.237 0.000 1.002 49 V HN -0.015 nan 8.190 nan 0.000 0.424 50 V N 3.252 123.033 119.914 -0.222 0.000 2.513 50 V HA 0.750 4.870 4.120 -0.000 0.000 0.299 50 V C -0.563 175.483 176.094 -0.080 0.000 1.035 50 V CA -0.567 61.669 62.300 -0.105 0.000 0.889 50 V CB 1.697 33.544 31.823 0.041 0.000 0.988 50 V HN 0.685 nan 8.190 nan 0.000 0.440 51 I N 4.378 124.922 120.570 -0.044 0.000 2.406 51 I HA 0.432 4.602 4.170 -0.000 0.000 0.290 51 I C -0.456 175.690 176.117 0.049 0.000 0.999 51 I CA -0.927 60.334 61.300 -0.065 0.000 1.124 51 I CB 2.202 40.145 38.000 -0.095 0.000 1.289 51 I HN 0.452 nan 8.210 nan 0.000 0.441 52 V N 5.855 125.787 119.914 0.031 0.000 2.368 52 V HA 0.729 4.849 4.120 -0.000 0.000 0.266 52 V C 0.554 176.663 176.094 0.025 0.000 1.045 52 V CA -0.118 62.223 62.300 0.067 0.000 0.899 52 V CB 0.269 32.102 31.823 0.018 0.000 1.006 52 V HN 1.065 nan 8.190 nan 0.000 0.470 53 G N 3.984 112.814 108.800 0.049 0.000 2.742 53 G HA2 0.019 3.979 3.960 -0.000 0.000 0.686 53 G HA3 0.019 3.979 3.960 -0.000 0.000 0.686 53 G C -0.104 174.816 174.900 0.033 0.000 1.220 53 G CA -0.266 44.854 45.100 0.033 0.000 0.783 53 G HN 1.291 nan 8.290 nan 0.000 0.646 54 S N 0.756 116.478 115.700 0.037 0.000 2.651 54 S HA 0.619 5.089 4.470 -0.000 0.000 0.246 54 S C 1.210 175.828 174.600 0.029 0.000 1.039 54 S CA 0.720 58.948 58.200 0.046 0.000 1.013 54 S CB 0.571 63.812 63.200 0.067 0.000 0.861 54 S HN 1.952 nan 8.310 nan 0.000 0.485 55 G N 2.663 111.471 108.800 0.014 0.000 2.611 55 G HA2 0.411 4.371 3.960 -0.000 0.000 0.273 55 G HA3 0.411 4.371 3.960 -0.000 0.000 0.273 55 G C -1.099 173.787 174.900 -0.023 0.000 1.305 55 G CA -1.377 43.715 45.100 -0.013 0.000 1.010 55 G HN 0.234 nan 8.290 nan 0.000 0.509 56 P HA -0.092 nan 4.420 nan 0.000 0.219 56 P C 1.665 178.912 177.300 -0.088 0.000 1.146 56 P CA 0.830 63.888 63.100 -0.071 0.000 0.808 56 P CB 0.194 31.877 31.700 -0.027 0.000 0.779 57 I N 0.224 120.777 120.570 -0.028 0.000 2.235 57 I HA -0.038 4.132 4.170 -0.000 0.000 0.241 57 I C 2.778 178.951 176.117 0.093 0.000 1.085 57 I CA 1.594 62.906 61.300 0.021 0.000 1.378 57 I CB -2.328 35.713 38.000 0.069 0.000 1.076 57 I HN 0.001 nan 8.210 nan 0.000 0.415 58 G N 0.392 109.233 108.800 0.069 0.000 2.469 58 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 58 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 58 G C 1.783 176.679 174.900 -0.007 0.000 1.150 58 G CA 1.125 46.257 45.100 0.053 0.000 0.763 58 G HN 0.414 nan 8.290 nan 0.000 0.561 59 C N 0.505 119.773 119.300 -0.052 0.000 2.432 59 C HA 0.023 4.483 4.460 -0.000 0.000 0.280 59 C C 3.186 178.039 174.990 -0.228 0.000 1.353 59 C CA 1.372 60.310 59.018 -0.133 0.000 1.766 59 C CB -1.009 26.710 27.740 -0.036 0.000 1.924 59 C HN 0.452 nan 8.230 nan 0.000 0.509 60 T N -0.069 114.376 114.554 -0.181 0.000 2.737 60 T HA -0.152 4.198 4.350 -0.000 0.000 0.265 60 T C 1.465 175.994 174.700 -0.285 0.000 1.038 60 T CA 1.614 63.573 62.100 -0.235 0.000 1.144 60 T CB -0.380 68.367 68.868 -0.202 0.000 0.866 60 T HN 0.567 nan 8.240 nan 0.000 0.434 61 Y N 1.436 121.591 120.300 -0.241 0.000 2.181 61 Y HA -0.032 4.518 4.550 -0.000 0.000 0.288 61 Y C 2.730 178.410 175.900 -0.366 0.000 1.146 61 Y CA 0.907 58.846 58.100 -0.268 0.000 1.164 61 Y CB -0.682 37.639 38.460 -0.231 0.000 0.982 61 Y HN 0.190 nan 8.280 nan 0.000 0.515 62 A N 0.199 122.821 122.820 -0.330 0.000 1.877 62 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 62 A C 2.282 179.320 177.584 -0.911 0.000 1.186 62 A CA 1.924 53.520 52.037 -0.735 0.000 0.620 62 A CB -0.769 17.502 19.000 -1.215 0.000 0.822 62 A HN 0.438 nan 8.150 nan 0.000 0.443 63 R N -0.549 119.487 120.500 -0.774 0.000 2.083 63 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 63 R C 2.033 178.131 176.300 -0.336 0.000 1.137 63 R CA 1.721 57.507 56.100 -0.523 0.000 0.951 63 R CB -0.222 29.778 30.300 -0.500 0.000 0.851 63 R HN 0.532 nan 8.270 nan 0.000 0.434 64 E N 0.405 120.429 120.200 -0.292 0.000 2.047 64 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 64 E C 2.103 178.630 176.600 -0.122 0.000 0.987 64 E CA 1.157 57.457 56.400 -0.167 0.000 0.799 64 E CB -0.025 29.570 29.700 -0.175 0.000 0.752 64 E HN 0.420 nan 8.360 nan 0.000 0.449 65 L N 0.140 121.260 121.223 -0.171 0.000 2.202 65 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 65 L C 2.471 179.373 176.870 0.052 0.000 1.083 65 L CA 0.225 55.005 54.840 -0.101 0.000 0.790 65 L CB -0.160 41.724 42.059 -0.291 0.000 0.942 65 L HN -0.067 nan 8.230 nan 0.000 0.452 66 V N 0.433 120.291 119.914 -0.092 0.000 2.427 66 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 66 V C 2.551 178.652 176.094 0.013 0.000 1.051 66 V CA 1.968 64.246 62.300 -0.036 0.000 1.048 66 V CB -1.016 30.721 31.823 -0.144 0.000 0.666 66 V HN 0.552 nan 8.190 nan 0.000 0.456 67 G N -0.561 108.229 108.800 -0.017 0.000 2.448 67 G HA2 -0.050 3.909 3.960 -0.000 0.000 0.218 67 G HA3 -0.050 3.909 3.960 -0.000 0.000 0.218 67 G C 1.447 176.367 174.900 0.034 0.000 1.135 67 G CA 0.741 45.848 45.100 0.011 0.000 0.784 67 G HN 0.606 nan 8.290 nan 0.000 0.543 68 A N -0.380 122.484 122.820 0.074 0.000 2.251 68 A HA 0.491 4.811 4.320 -0.000 0.000 0.209 68 A C 1.909 179.506 177.584 0.020 0.000 1.187 68 A CA 1.181 53.276 52.037 0.097 0.000 0.823 68 A CB -0.397 18.738 19.000 0.226 0.000 0.846 68 A HN 1.490 nan 8.150 nan 0.000 0.486 69 G N -2.193 106.619 108.800 0.019 0.000 2.157 69 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.239 69 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.239 69 G C 0.003 174.821 174.900 -0.136 0.000 0.982 69 G CA 0.188 45.246 45.100 -0.069 0.000 0.650 69 G HN 0.411 nan 8.290 nan 0.000 0.527 70 Y N 0.439 120.711 120.300 -0.046 0.000 2.357 70 Y HA 0.443 4.993 4.550 -0.000 0.000 0.340 70 Y C 1.110 176.975 175.900 -0.058 0.000 1.260 70 Y CA 0.147 58.218 58.100 -0.048 0.000 1.425 70 Y CB 0.673 39.102 38.460 -0.052 0.000 1.326 70 Y HN 0.084 nan 8.280 nan 0.000 0.580 71 K N 2.474 122.938 120.400 0.107 0.000 2.263 71 K HA 0.450 4.770 4.320 -0.000 0.000 0.282 71 K C -1.663 175.023 176.600 0.144 0.000 1.089 71 K CA -0.208 56.115 56.287 0.060 0.000 0.907 71 K CB 0.153 32.657 32.500 0.006 0.000 1.148 71 K HN 0.500 nan 8.250 nan 0.000 0.470 72 V N 3.206 123.188 119.914 0.113 0.000 2.483 72 V HA 0.568 4.688 4.120 -0.000 0.000 0.295 72 V C -0.113 175.877 176.094 -0.174 0.000 1.035 72 V CA -0.879 61.444 62.300 0.038 0.000 0.896 72 V CB 1.359 33.246 31.823 0.106 0.000 0.986 72 V HN 0.895 nan 8.190 nan 0.000 0.447 73 A N 5.646 128.204 122.820 -0.437 0.000 2.340 73 A HA 0.946 5.266 4.320 -0.000 0.000 0.331 73 A C -0.624 176.589 177.584 -0.619 0.000 1.140 73 A CA -0.652 50.882 52.037 -0.839 0.000 0.801 73 A CB 1.532 19.684 19.000 -1.413 0.000 1.234 73 A HN 0.933 nan 8.150 nan 0.000 0.469 74 M N 2.279 121.418 119.600 -0.769 0.000 2.327 74 M HA 0.720 5.200 4.480 -0.000 0.000 0.298 74 M C -2.207 173.729 176.300 -0.607 0.000 1.065 74 M CA -0.366 54.679 55.300 -0.426 0.000 0.916 74 M CB 1.119 33.678 32.600 -0.069 0.000 1.630 74 M HN 0.576 nan 8.290 nan 0.000 0.442 75 F N 2.327 122.265 119.950 -0.019 0.000 2.480 75 F HA 0.604 5.131 4.527 -0.000 0.000 0.329 75 F C -0.083 175.714 175.800 -0.005 0.000 1.091 75 F CA -0.444 57.565 58.000 0.015 0.000 0.972 75 F CB 1.444 40.436 39.000 -0.013 0.000 1.150 75 F HN 0.472 nan 8.300 nan 0.000 0.467 76 D N 2.594 123.089 120.400 0.158 0.000 2.964 76 D HA 0.211 4.851 4.640 -0.000 0.000 0.234 76 D C 0.464 176.791 176.300 0.045 0.000 1.223 76 D CA -0.330 53.714 54.000 0.073 0.000 0.889 76 D CB 2.459 43.285 40.800 0.043 0.000 1.609 76 D HN 0.652 nan 8.370 nan 0.000 0.523 77 I N 2.025 122.576 120.570 -0.031 0.000 2.614 77 I HA 0.021 4.191 4.170 -0.000 0.000 0.258 77 I C 1.101 177.180 176.117 -0.063 0.000 1.189 77 I CA 0.796 62.031 61.300 -0.107 0.000 1.462 77 I CB 0.163 37.979 38.000 -0.307 0.000 1.092 77 I HN 0.330 nan 8.210 nan 0.000 0.442 78 G N -0.071 108.712 108.800 -0.029 0.000 2.537 78 G HA2 0.422 4.382 3.960 -0.000 0.000 0.297 78 G HA3 0.422 4.382 3.960 -0.000 0.000 0.297 78 G C -0.851 174.067 174.900 0.031 0.000 1.310 78 G CA -0.434 44.671 45.100 0.008 0.000 1.027 78 G HN 0.305 nan 8.290 nan 0.000 0.505 79 E N -1.418 118.805 120.200 0.039 0.000 2.339 79 E HA 0.389 4.739 4.350 -0.000 0.000 0.262 79 E C -0.474 176.150 176.600 0.040 0.000 0.934 79 E CA -0.803 55.622 56.400 0.041 0.000 0.802 79 E CB 2.458 32.185 29.700 0.045 0.000 1.275 79 E HN 0.259 nan 8.360 nan 0.000 0.427 80 I N 2.534 123.126 120.570 0.037 0.000 2.533 80 I HA 0.021 4.191 4.170 -0.000 0.000 0.284 80 I C -0.313 175.832 176.117 0.047 0.000 1.109 80 I CA 0.620 61.944 61.300 0.039 0.000 1.412 80 I CB 0.174 38.193 38.000 0.031 0.000 1.396 80 I HN 0.535 nan 8.210 nan 0.000 0.543 81 D N 3.341 123.775 120.400 0.057 0.000 3.602 81 D HA 0.030 4.670 4.640 -0.000 0.000 0.275 81 D C -0.397 175.956 176.300 0.088 0.000 1.348 81 D CA -0.344 53.696 54.000 0.067 0.000 0.768 81 D CB 0.028 40.866 40.800 0.062 0.000 1.373 81 D HN 0.243 nan 8.370 nan 0.000 0.683 82 S N -0.230 115.526 115.700 0.093 0.000 2.749 82 S HA 0.619 5.089 4.470 -0.000 0.000 0.246 82 S C 0.908 175.579 174.600 0.118 0.000 1.023 82 S CA 0.157 58.430 58.200 0.122 0.000 1.012 82 S CB 0.834 64.107 63.200 0.122 0.000 0.942 82 S HN 0.950 nan 8.310 nan 0.000 0.531 83 G N 1.562 110.419 108.800 0.095 0.000 2.584 83 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.229 83 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.229 83 G C 0.350 175.286 174.900 0.060 0.000 1.320 83 G CA -0.174 44.974 45.100 0.080 0.000 0.891 83 G HN 0.282 nan 8.290 nan 0.000 0.573 84 L N 0.417 121.670 121.223 0.050 0.000 2.217 84 L HA 0.103 4.443 4.340 -0.000 0.000 0.211 84 L C 1.479 178.364 176.870 0.025 0.000 1.107 84 L CA 1.054 55.913 54.840 0.031 0.000 0.783 84 L CB -0.348 41.724 42.059 0.022 0.000 0.919 84 L HN 0.330 nan 8.230 nan 0.000 0.442 85 K N 1.773 122.197 120.400 0.041 0.000 2.273 85 K HA 0.317 4.637 4.320 -0.000 0.000 0.287 85 K C -0.317 176.309 176.600 0.043 0.000 1.089 85 K CA -0.171 56.137 56.287 0.035 0.000 0.909 85 K CB 0.896 33.429 32.500 0.055 0.000 1.123 85 K HN 0.094 nan 8.250 nan 0.000 0.473 86 I N 2.113 122.692 120.570 0.016 0.000 2.533 86 I HA -0.025 4.145 4.170 -0.000 0.000 0.284 86 I C 1.311 177.453 176.117 0.041 0.000 1.109 86 I CA 0.562 61.878 61.300 0.027 0.000 1.412 86 I CB 0.443 38.450 38.000 0.011 0.000 1.396 86 I HN 0.967 nan 8.210 nan 0.000 0.543 87 G N 4.409 113.246 108.800 0.060 0.000 2.160 87 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.251 87 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.251 87 G C 0.294 175.252 174.900 0.098 0.000 1.008 87 G CA 0.141 45.282 45.100 0.069 0.000 0.724 87 G HN 0.951 nan 8.290 nan 0.000 0.514 88 A N -0.542 122.351 122.820 0.122 0.000 2.257 88 A HA 0.661 4.981 4.320 -0.000 0.000 0.289 88 A C 0.477 178.201 177.584 0.233 0.000 1.095 88 A CA -0.369 51.778 52.037 0.183 0.000 0.836 88 A CB 0.399 19.503 19.000 0.173 0.000 1.111 88 A HN 0.643 nan 8.150 nan 0.000 0.497 89 H N 0.407 119.619 119.070 0.235 0.000 2.819 89 H HA 0.162 4.718 4.556 -0.000 0.000 0.303 89 H C 0.575 176.034 175.328 0.220 0.000 1.058 89 H CA 0.507 56.710 56.048 0.259 0.000 1.471 89 H CB 0.886 30.824 29.762 0.295 0.000 1.480 89 H HN 0.664 nan 8.280 nan 0.000 0.517 90 K N 3.287 123.931 120.400 0.407 0.000 2.504 90 K HA -0.093 4.227 4.320 -0.000 0.000 0.195 90 K C 1.535 178.399 176.600 0.439 0.000 1.036 90 K CA 0.768 57.329 56.287 0.456 0.000 0.984 90 K CB 0.307 33.098 32.500 0.486 0.000 0.788 90 K HN 0.516 nan 8.250 nan 0.000 0.488 91 K N -0.016 120.488 120.400 0.174 0.000 2.458 91 K HA 0.068 4.388 4.320 -0.000 0.000 0.194 91 K C 0.538 177.141 176.600 0.004 0.000 1.024 91 K CA 0.361 56.430 56.287 -0.364 0.000 1.108 91 K CB 0.272 31.919 32.500 -1.422 0.000 0.846 91 K HN -0.110 nan 8.250 nan 0.000 0.518 92 N N 1.983 120.794 118.700 0.185 0.000 2.370 92 N HA -0.029 4.711 4.740 -0.000 0.000 0.198 92 N C -0.290 175.452 175.510 0.385 0.000 1.156 92 N CA 0.526 53.702 53.050 0.211 0.000 0.839 92 N CB 0.546 39.222 38.487 0.316 0.000 0.989 92 N HN 0.464 nan 8.380 nan 0.000 0.468 93 T N -3.044 111.716 114.554 0.345 0.000 2.904 93 T HA 0.230 4.580 4.350 -0.000 0.000 0.290 93 T C 1.764 176.650 174.700 0.310 0.000 1.018 93 T CA -0.702 61.585 62.100 0.312 0.000 1.075 93 T CB 1.501 70.501 68.868 0.219 0.000 0.986 93 T HN -0.203 nan 8.240 nan 0.000 0.523 94 V N 1.606 121.691 119.914 0.284 0.000 2.332 94 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 94 V C 2.929 179.091 176.094 0.114 0.000 1.055 94 V CA 1.842 64.290 62.300 0.246 0.000 1.038 94 V CB -0.860 31.048 31.823 0.141 0.000 0.651 94 V HN 0.888 nan 8.190 nan 0.000 0.450 95 E N -0.446 119.758 120.200 0.007 0.000 2.058 95 E HA -0.208 4.141 4.350 -0.000 0.000 0.194 95 E C 2.159 178.680 176.600 -0.131 0.000 0.997 95 E CA 1.624 57.953 56.400 -0.119 0.000 0.801 95 E CB -0.289 29.250 29.700 -0.269 0.000 0.746 95 E HN 0.745 nan 8.360 nan 0.000 0.450 96 Y N 1.223 121.594 120.300 0.119 0.000 2.373 96 Y HA -0.059 4.491 4.550 -0.000 0.000 0.293 96 Y C 2.390 178.308 175.900 0.030 0.000 1.129 96 Y CA 0.705 58.863 58.100 0.097 0.000 1.226 96 Y CB -0.208 38.318 38.460 0.109 0.000 1.000 96 Y HN 0.074 nan 8.280 nan 0.000 0.549 97 Q N 0.126 120.008 119.800 0.137 0.000 2.297 97 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 97 Q C 1.611 177.662 176.000 0.085 0.000 0.962 97 Q CA 0.998 56.832 55.803 0.052 0.000 0.879 97 Q CB -0.068 28.625 28.738 -0.074 0.000 0.947 97 Q HN 0.515 nan 8.270 nan 0.000 0.462 98 K N 0.189 120.646 120.400 0.094 0.000 2.323 98 K HA 0.071 4.391 4.320 -0.000 0.000 0.197 98 K C 0.450 177.100 176.600 0.082 0.000 1.043 98 K CA 0.302 56.634 56.287 0.075 0.000 0.997 98 K CB 0.502 33.036 32.500 0.056 0.000 0.807 98 K HN 0.056 nan 8.250 nan 0.000 0.497 99 N N 1.381 120.152 118.700 0.120 0.000 2.723 99 N HA 0.058 4.798 4.740 -0.000 0.000 0.290 99 N C 0.198 175.852 175.510 0.240 0.000 1.882 99 N CA 0.038 53.177 53.050 0.148 0.000 0.851 99 N CB 1.083 39.641 38.487 0.118 0.000 1.234 99 N HN 0.057 nan 8.380 nan 0.000 0.491 100 I N 0.322 121.006 120.570 0.191 0.000 2.394 100 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 100 I C 0.743 176.985 176.117 0.209 0.000 1.136 100 I CA 1.494 62.908 61.300 0.190 0.000 1.425 100 I CB 0.289 38.359 38.000 0.117 0.000 1.079 100 I HN 0.083 nan 8.210 nan 0.000 0.425 101 D N 1.110 121.632 120.400 0.202 0.000 2.264 101 D HA -0.138 4.502 4.640 -0.000 0.000 0.208 101 D C 1.959 178.361 176.300 0.170 0.000 0.966 101 D CA 0.599 54.716 54.000 0.195 0.000 0.864 101 D CB -0.071 40.870 40.800 0.234 0.000 0.933 101 D HN 0.295 nan 8.370 nan 0.000 0.499 102 K N 0.009 120.546 120.400 0.228 0.000 2.362 102 K HA -0.087 4.233 4.320 -0.000 0.000 0.200 102 K C 1.689 178.395 176.600 0.178 0.000 1.046 102 K CA 0.044 56.472 56.287 0.235 0.000 0.952 102 K CB -0.323 32.370 32.500 0.322 0.000 0.753 102 K HN 0.215 nan 8.250 nan 0.000 0.466 103 F N 1.291 121.215 119.950 -0.044 0.000 2.365 103 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 103 F C 1.886 177.570 175.800 -0.193 0.000 1.090 103 F CA 0.430 58.237 58.000 -0.321 0.000 1.408 103 F CB -0.062 38.706 39.000 -0.386 0.000 1.060 103 F HN -0.297 nan 8.300 nan 0.000 0.534 104 V N 0.678 120.535 119.914 -0.095 0.000 2.317 104 V HA -0.415 3.705 4.120 -0.000 0.000 0.251 104 V C 1.798 177.742 176.094 -0.250 0.000 1.065 104 V CA 2.549 64.748 62.300 -0.169 0.000 1.049 104 V CB -0.992 30.739 31.823 -0.153 0.000 0.651 104 V HN 0.396 nan 8.190 nan 0.000 0.450 105 N N -0.390 118.182 118.700 -0.212 0.000 2.309 105 N HA -0.105 4.635 4.740 -0.000 0.000 0.182 105 N C 1.588 176.937 175.510 -0.268 0.000 1.018 105 N CA 1.100 54.041 53.050 -0.182 0.000 0.876 105 N CB -0.231 38.204 38.487 -0.087 0.000 0.972 105 N HN 0.351 nan 8.380 nan 0.000 0.434 106 V N 1.383 121.002 119.914 -0.492 0.000 2.295 106 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 106 V C 2.077 177.866 176.094 -0.509 0.000 1.049 106 V CA 1.386 63.324 62.300 -0.604 0.000 1.024 106 V CB -0.537 30.585 31.823 -1.169 0.000 0.648 106 V HN 0.309 nan 8.190 nan 0.000 0.447 107 I N -0.212 119.999 120.570 -0.597 0.000 2.118 107 I HA -0.372 3.798 4.170 -0.000 0.000 0.241 107 I C 2.706 178.711 176.117 -0.188 0.000 1.070 107 I CA 1.965 63.079 61.300 -0.310 0.000 1.327 107 I CB -0.521 37.341 38.000 -0.230 0.000 1.034 107 I HN 0.381 nan 8.210 nan 0.000 0.405 108 Q N 0.322 120.010 119.800 -0.187 0.000 2.167 108 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 108 Q C 2.283 178.224 176.000 -0.097 0.000 0.970 108 Q CA 1.348 57.076 55.803 -0.126 0.000 0.855 108 Q CB -0.293 28.369 28.738 -0.127 0.000 0.911 108 Q HN 0.648 nan 8.270 nan 0.000 0.438 109 G N 1.113 109.845 108.800 -0.112 0.000 2.534 109 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 109 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 109 G C 1.090 175.961 174.900 -0.048 0.000 1.128 109 G CA 0.539 45.596 45.100 -0.072 0.000 0.784 109 G HN 0.443 nan 8.290 nan 0.000 0.542 110 Q N -0.589 119.176 119.800 -0.059 0.000 2.171 110 Q HA 0.358 4.698 4.340 -0.000 0.000 0.218 110 Q C 0.128 176.126 176.000 -0.003 0.000 0.822 110 Q CA -0.271 55.519 55.803 -0.022 0.000 0.987 110 Q CB 0.149 28.873 28.738 -0.022 0.000 1.144 110 Q HN 0.257 nan 8.270 nan 0.000 0.494 111 L N 2.287 123.501 121.223 -0.015 0.000 2.255 111 L HA 0.420 4.760 4.340 -0.000 0.000 0.289 111 L C -0.746 176.132 176.870 0.014 0.000 1.046 111 L CA -0.697 54.145 54.840 0.002 0.000 0.816 111 L CB 0.885 42.935 42.059 -0.015 0.000 1.197 111 L HN 0.155 nan 8.230 nan 0.000 0.427 112 M N 2.295 121.920 119.600 0.041 0.000 2.113 112 M HA 0.248 4.728 4.480 -0.000 0.000 0.352 112 M C 0.282 176.614 176.300 0.053 0.000 1.170 112 M CA -0.257 55.075 55.300 0.053 0.000 1.053 112 M CB 1.358 34.013 32.600 0.092 0.000 1.601 112 M HN 0.322 nan 8.290 nan 0.000 0.459 113 S N 1.847 117.569 115.700 0.036 0.000 2.552 113 S HA 0.121 4.590 4.470 -0.000 0.000 0.289 113 S C 1.523 176.156 174.600 0.054 0.000 1.304 113 S CA -0.598 57.622 58.200 0.035 0.000 1.063 113 S CB 0.572 63.781 63.200 0.016 0.000 0.848 113 S HN 0.575 nan 8.310 nan 0.000 0.499 114 V N 2.363 122.321 119.914 0.074 0.000 2.283 114 V HA 0.010 4.130 4.120 -0.000 0.000 0.243 114 V C 1.180 177.283 176.094 0.014 0.000 1.039 114 V CA 1.385 63.723 62.300 0.064 0.000 1.016 114 V CB 0.016 31.923 31.823 0.141 0.000 0.650 114 V HN 0.779 nan 8.190 nan 0.000 0.449 115 S N -0.686 115.045 115.700 0.053 0.000 2.677 115 S HA 0.580 5.050 4.470 -0.000 0.000 0.283 115 S C -1.166 173.439 174.600 0.009 0.000 1.159 115 S CA -0.459 57.736 58.200 -0.009 0.000 1.001 115 S CB 1.625 64.793 63.200 -0.054 0.000 1.032 115 S HN 0.008 nan 8.310 nan 0.000 0.487 116 V N 7.760 127.665 119.914 -0.015 0.000 2.378 116 V HA 0.546 4.666 4.120 -0.000 0.000 0.288 116 V C -2.026 174.051 176.094 -0.028 0.000 1.016 116 V CA -1.763 60.526 62.300 -0.017 0.000 0.840 116 V CB 1.562 33.375 31.823 -0.016 0.000 0.994 116 V HN 0.724 nan 8.190 nan 0.000 0.431 117 P HA 0.191 nan 4.420 nan 0.000 0.274 117 P C -0.143 177.133 177.300 -0.041 0.000 1.246 117 P CA -0.129 62.951 63.100 -0.033 0.000 0.795 117 P CB 1.044 32.725 31.700 -0.031 0.000 1.006 118 V N 2.263 122.155 119.914 -0.036 0.000 2.673 118 V HA -0.025 4.095 4.120 -0.000 0.000 0.303 118 V C 1.256 177.298 176.094 -0.088 0.000 1.046 118 V CA 0.171 62.445 62.300 -0.043 0.000 1.126 118 V CB -0.557 31.261 31.823 -0.008 0.000 0.934 118 V HN 0.628 nan 8.190 nan 0.000 0.487 119 N N 3.491 122.131 118.700 -0.100 0.000 2.458 119 N HA 0.114 4.854 4.740 -0.000 0.000 0.270 119 N C 0.500 175.840 175.510 -0.283 0.000 1.102 119 N CA 0.266 53.230 53.050 -0.142 0.000 0.967 119 N CB 1.583 40.015 38.487 -0.092 0.000 1.078 119 N HN 0.856 nan 8.380 nan 0.000 0.471 120 T N 1.022 115.287 114.554 -0.481 0.000 3.296 120 T HA 0.275 4.625 4.350 -0.000 0.000 0.285 120 T C 0.754 174.963 174.700 -0.817 0.000 1.014 120 T CA -0.466 60.916 62.100 -1.196 0.000 0.920 120 T CB -0.527 67.752 68.868 -0.982 0.000 1.143 120 T HN 0.282 nan 8.240 nan 0.000 0.522 121 L N 1.829 122.854 121.223 -0.329 0.000 2.453 121 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 121 L C 0.158 177.061 176.870 0.055 0.000 1.182 121 L CA -0.693 54.078 54.840 -0.115 0.000 0.858 121 L CB 0.745 42.771 42.059 -0.054 0.000 1.120 121 L HN 0.070 nan 8.230 nan 0.000 0.474 122 V N 4.746 124.715 119.914 0.092 0.000 2.406 122 V HA 0.175 4.295 4.120 -0.000 0.000 0.272 122 V C 0.186 176.346 176.094 0.110 0.000 1.043 122 V CA -0.420 61.991 62.300 0.186 0.000 0.915 122 V CB 1.625 33.545 31.823 0.161 0.000 0.988 122 V HN 0.416 nan 8.190 nan 0.000 0.466 123 V N 5.475 125.455 119.914 0.111 0.000 2.293 123 V HA 0.330 4.450 4.120 -0.000 0.000 0.275 123 V C 0.175 176.298 176.094 0.048 0.000 1.021 123 V CA -0.445 61.895 62.300 0.067 0.000 0.815 123 V CB 1.365 33.228 31.823 0.067 0.000 1.025 123 V HN 1.066 nan 8.190 nan 0.000 0.448 124 D N 2.124 122.545 120.400 0.036 0.000 2.538 124 D HA 0.013 4.653 4.640 -0.000 0.000 0.231 124 D C 1.082 177.390 176.300 0.014 0.000 1.229 124 D CA 0.200 54.212 54.000 0.020 0.000 0.828 124 D CB 0.442 41.253 40.800 0.019 0.000 1.035 124 D HN 0.537 nan 8.370 nan 0.000 0.495 125 T N -1.944 112.621 114.554 0.019 0.000 3.228 125 T HA 0.315 4.665 4.350 -0.000 0.000 0.278 125 T C 0.760 175.471 174.700 0.018 0.000 1.014 125 T CA -0.562 61.548 62.100 0.016 0.000 0.904 125 T CB -0.261 68.616 68.868 0.016 0.000 1.110 125 T HN 0.030 nan 8.240 nan 0.000 0.541 126 L N 2.037 123.272 121.223 0.021 0.000 2.499 126 L HA 0.244 4.584 4.340 -0.000 0.000 0.281 126 L C 1.188 178.068 176.870 0.017 0.000 1.234 126 L CA -0.417 54.438 54.840 0.025 0.000 0.839 126 L CB 0.243 42.319 42.059 0.029 0.000 1.104 126 L HN 0.261 nan 8.230 nan 0.000 0.500 127 S N 2.024 117.737 115.700 0.022 0.000 2.563 127 S HA 0.080 4.550 4.470 -0.000 0.000 0.284 127 S C -1.384 173.222 174.600 0.010 0.000 1.331 127 S CA -0.992 57.218 58.200 0.016 0.000 1.047 127 S CB 0.837 64.051 63.200 0.022 0.000 0.859 127 S HN 0.404 nan 8.310 nan 0.000 0.514 128 P HA -0.095 nan 4.420 nan 0.000 0.218 128 P C 1.416 178.715 177.300 -0.001 0.000 1.146 128 P CA 1.490 64.586 63.100 -0.007 0.000 0.813 128 P CB -0.160 31.535 31.700 -0.007 0.000 0.778 129 T N -5.353 109.209 114.554 0.013 0.000 3.023 129 T HA 0.059 4.409 4.350 -0.000 0.000 0.266 129 T C 1.035 175.764 174.700 0.049 0.000 1.093 129 T CA 0.206 62.322 62.100 0.026 0.000 1.129 129 T CB -0.640 68.246 68.868 0.030 0.000 0.899 129 T HN -0.088 nan 8.240 nan 0.000 0.491 130 S N 1.205 116.937 115.700 0.054 0.000 2.576 130 S HA 0.280 4.750 4.470 -0.000 0.000 0.276 130 S C -0.567 174.108 174.600 0.126 0.000 1.339 130 S CA -0.988 57.273 58.200 0.102 0.000 1.039 130 S CB 0.169 63.425 63.200 0.094 0.000 0.902 130 S HN 0.605 nan 8.310 nan 0.000 0.516 131 W N 2.938 124.247 121.300 0.015 0.000 2.308 131 W HA 0.197 4.857 4.660 -0.000 0.000 0.324 131 W C 0.238 176.773 176.519 0.027 0.000 1.387 131 W CA 0.228 57.581 57.345 0.015 0.000 1.250 131 W CB 0.176 29.644 29.460 0.014 0.000 1.257 131 W HN 0.525 nan 8.180 nan 0.000 0.554 132 Q N 4.820 124.269 119.800 -0.585 0.000 2.356 132 Q HA 0.594 4.934 4.340 -0.000 0.000 0.270 132 Q C -0.508 175.011 176.000 -0.801 0.000 1.058 132 Q CA -0.865 54.681 55.803 -0.428 0.000 0.802 132 Q CB 1.799 30.376 28.738 -0.269 0.000 1.303 132 Q HN 0.608 nan 8.270 nan 0.000 0.444 133 A N 2.057 124.629 122.820 -0.413 0.000 2.445 133 A HA 0.220 4.540 4.320 -0.000 0.000 0.242 133 A C 0.511 177.920 177.584 -0.292 0.000 1.075 133 A CA -0.001 51.873 52.037 -0.272 0.000 0.777 133 A CB 0.656 19.748 19.000 0.153 0.000 1.013 133 A HN 0.870 nan 8.150 nan 0.000 0.493 134 S N -0.474 115.088 115.700 -0.229 0.000 2.503 134 S HA 0.122 4.592 4.470 -0.000 0.000 0.217 134 S C 0.848 175.341 174.600 -0.177 0.000 0.999 134 S CA 0.862 58.947 58.200 -0.193 0.000 0.914 134 S CB -0.117 62.991 63.200 -0.154 0.000 0.782 134 S HN 1.117 nan 8.310 nan 0.000 0.520 135 T N -1.567 112.921 114.554 -0.110 0.000 2.812 135 T HA 0.620 4.970 4.350 -0.000 0.000 0.294 135 T C -1.002 173.628 174.700 -0.118 0.000 1.159 135 T CA -0.734 61.287 62.100 -0.131 0.000 1.008 135 T CB 0.625 69.528 68.868 0.057 0.000 1.289 135 T HN -0.103 nan 8.240 nan 0.000 0.514 136 F N 2.883 122.903 119.950 0.117 0.000 2.626 136 F HA 0.396 4.923 4.527 -0.000 0.000 0.353 136 F C 0.444 176.270 175.800 0.044 0.000 1.230 136 F CA -1.945 56.072 58.000 0.029 0.000 1.298 136 F CB -1.017 37.980 39.000 -0.004 0.000 1.670 136 F HN 0.550 nan 8.300 nan 0.000 0.633 137 F N -0.972 119.077 119.950 0.165 0.000 2.435 137 F HA 0.521 5.048 4.527 -0.000 0.000 0.316 137 F C 0.045 175.918 175.800 0.121 0.000 1.220 137 F CA -1.574 56.503 58.000 0.127 0.000 1.241 137 F CB -0.157 38.908 39.000 0.110 0.000 1.234 137 F HN -0.173 nan 8.300 nan 0.000 0.569 138 V N 2.967 123.023 119.914 0.236 0.000 2.409 138 V HA 0.211 4.331 4.120 -0.000 0.000 0.270 138 V C 0.233 176.370 176.094 0.071 0.000 1.019 138 V CA 0.069 62.432 62.300 0.106 0.000 1.066 138 V CB -0.838 31.061 31.823 0.126 0.000 1.021 138 V HN 0.698 nan 8.190 nan 0.000 0.476 139 R N 3.984 124.421 120.500 -0.104 0.000 2.750 139 R HA 0.443 4.783 4.340 -0.000 0.000 0.281 139 R C 0.203 176.469 176.300 -0.057 0.000 0.972 139 R CA -0.866 55.137 56.100 -0.162 0.000 0.912 139 R CB 1.289 31.365 30.300 -0.373 0.000 1.187 139 R HN 0.727 nan 8.270 nan 0.000 0.464 140 N N 0.932 119.623 118.700 -0.016 0.000 2.735 140 N HA -0.200 4.540 4.740 -0.000 0.000 0.248 140 N C 0.473 175.978 175.510 -0.009 0.000 1.083 140 N CA 1.529 54.571 53.050 -0.012 0.000 0.703 140 N CB -1.079 37.392 38.487 -0.026 0.000 1.005 140 N HN 1.092 nan 8.380 nan 0.000 0.550 141 G N -1.924 106.877 108.800 0.002 0.000 2.159 141 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.256 141 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.256 141 G C 0.260 175.159 174.900 -0.001 0.000 0.977 141 G CA 0.812 45.914 45.100 0.003 0.000 0.652 141 G HN 1.274 nan 8.290 nan 0.000 0.531 142 S N -0.466 115.229 115.700 -0.009 0.000 2.593 142 S HA 0.510 4.980 4.470 -0.000 0.000 0.269 142 S C 0.121 174.715 174.600 -0.010 0.000 1.334 142 S CA -0.005 58.185 58.200 -0.016 0.000 1.015 142 S CB 1.803 64.986 63.200 -0.029 0.000 0.912 142 S HN 0.628 nan 8.310 nan 0.000 0.541 143 N N 2.031 120.717 118.700 -0.023 0.000 2.485 143 N HA 0.354 5.094 4.740 -0.000 0.000 0.243 143 N C -1.803 173.695 175.510 -0.021 0.000 0.987 143 N CA -2.527 50.502 53.050 -0.034 0.000 0.940 143 N CB 1.147 39.585 38.487 -0.081 0.000 1.122 143 N HN 0.364 nan 8.380 nan 0.000 0.509 144 P HA -0.011 nan 4.420 nan 0.000 0.237 144 P C 0.248 177.574 177.300 0.043 0.000 1.178 144 P CA 0.757 63.876 63.100 0.032 0.000 0.766 144 P CB 0.542 32.276 31.700 0.057 0.000 0.876 145 E N -0.320 119.893 120.200 0.021 0.000 2.371 145 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 145 E C 0.802 177.416 176.600 0.023 0.000 1.012 145 E CA 0.448 56.888 56.400 0.067 0.000 0.860 145 E CB -0.039 29.651 29.700 -0.016 0.000 0.811 145 E HN 0.290 nan 8.360 nan 0.000 0.502 146 Q N 2.294 122.068 119.800 -0.044 0.000 2.307 146 Q HA 0.024 4.364 4.340 -0.000 0.000 0.259 146 Q C -0.818 175.189 176.000 0.011 0.000 0.998 146 Q CA -0.161 55.613 55.803 -0.047 0.000 0.923 146 Q CB 0.720 29.416 28.738 -0.070 0.000 1.196 146 Q HN -0.186 nan 8.270 nan 0.000 0.416 147 D N 6.134 126.559 120.400 0.043 0.000 2.339 147 D HA 0.070 4.710 4.640 -0.000 0.000 0.256 147 D C -1.692 174.623 176.300 0.024 0.000 1.214 147 D CA -1.936 52.091 54.000 0.045 0.000 0.877 147 D CB 1.280 42.122 40.800 0.070 0.000 1.111 147 D HN 0.426 nan 8.370 nan 0.000 0.478 148 P HA -0.094 nan 4.420 nan 0.000 0.222 148 P C 1.235 178.533 177.300 -0.002 0.000 1.147 148 P CA 0.715 63.810 63.100 -0.008 0.000 0.790 148 P CB 0.328 32.011 31.700 -0.027 0.000 0.780 149 L N -1.257 119.970 121.223 0.006 0.000 2.607 149 L HA 0.188 4.528 4.340 -0.000 0.000 0.228 149 L C 1.509 178.389 176.870 0.017 0.000 1.123 149 L CA 0.228 55.072 54.840 0.006 0.000 0.890 149 L CB -0.142 41.918 42.059 0.002 0.000 1.103 149 L HN -0.148 nan 8.230 nan 0.000 0.468 150 R N -0.221 120.298 120.500 0.031 0.000 2.661 150 R HA 0.203 4.543 4.340 -0.000 0.000 0.429 150 R C -0.409 175.939 176.300 0.080 0.000 1.044 150 R CA -0.257 55.873 56.100 0.050 0.000 1.065 150 R CB 0.373 30.707 30.300 0.057 0.000 1.377 150 R HN 0.048 nan 8.270 nan 0.000 0.600 151 N N 0.649 119.372 118.700 0.038 0.000 2.459 151 N HA 0.347 5.087 4.740 -0.000 0.000 0.288 151 N C -0.604 174.811 175.510 -0.158 0.000 1.186 151 N CA -0.574 52.479 53.050 0.005 0.000 0.917 151 N CB 1.170 39.660 38.487 0.005 0.000 1.219 151 N HN 0.077 nan 8.380 nan 0.000 0.525 152 L N 2.135 123.102 121.223 -0.428 0.000 2.494 152 L HA 0.209 4.549 4.340 -0.000 0.000 0.251 152 L C 1.465 178.124 176.870 -0.351 0.000 1.119 152 L CA -0.299 54.161 54.840 -0.633 0.000 1.026 152 L CB 0.310 41.592 42.059 -1.295 0.000 1.370 152 L HN 0.645 nan 8.230 nan 0.000 0.426 153 S N -0.241 115.357 115.700 -0.171 0.000 2.419 153 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 153 S C 1.795 176.346 174.600 -0.081 0.000 1.016 153 S CA 1.067 59.218 58.200 -0.083 0.000 0.974 153 S CB -0.198 62.971 63.200 -0.053 0.000 0.786 153 S HN 0.633 nan 8.310 nan 0.000 0.492 154 G N 0.399 109.131 108.800 -0.113 0.000 2.712 154 G HA2 0.088 4.048 3.960 -0.000 0.000 0.212 154 G HA3 0.088 4.048 3.960 -0.000 0.000 0.212 154 G C 0.588 175.434 174.900 -0.091 0.000 1.142 154 G CA -0.271 44.775 45.100 -0.090 0.000 0.789 154 G HN 0.380 nan 8.290 nan 0.000 0.535 155 Q N 0.541 120.261 119.800 -0.133 0.000 2.337 155 Q HA 0.510 4.850 4.340 -0.000 0.000 0.270 155 Q C -0.165 175.845 176.000 0.016 0.000 1.002 155 Q CA 0.262 56.018 55.803 -0.077 0.000 0.888 155 Q CB 1.435 30.092 28.738 -0.136 0.000 1.222 155 Q HN 0.272 nan 8.270 nan 0.000 0.400 156 A N 1.969 124.805 122.820 0.027 0.000 2.587 156 A HA 0.725 5.045 4.320 -0.000 0.000 0.293 156 A C -0.917 176.696 177.584 0.048 0.000 1.087 156 A CA -0.571 51.489 52.037 0.038 0.000 0.692 156 A CB 1.313 20.323 19.000 0.018 0.000 1.291 156 A HN 0.474 nan 8.150 nan 0.000 0.407 157 V N -1.947 118.005 119.914 0.064 0.000 3.046 157 V HA 0.961 5.081 4.120 -0.000 0.000 0.316 157 V C -0.347 175.802 176.094 0.092 0.000 1.104 157 V CA -0.538 61.812 62.300 0.084 0.000 1.006 157 V CB 1.627 33.520 31.823 0.117 0.000 1.058 157 V HN 0.889 nan 8.190 nan 0.000 0.440 158 T N 2.194 116.802 114.554 0.091 0.000 2.824 158 T HA 0.598 4.948 4.350 -0.000 0.000 0.282 158 T C -0.440 174.299 174.700 0.065 0.000 0.993 158 T CA -0.498 61.642 62.100 0.067 0.000 0.967 158 T CB 1.274 70.168 68.868 0.045 0.000 0.960 158 T HN 0.769 nan 8.240 nan 0.000 0.441 159 R N 2.459 122.988 120.500 0.050 0.000 2.363 159 R HA 0.620 4.960 4.340 -0.000 0.000 0.297 159 R C -0.856 175.458 176.300 0.023 0.000 1.208 159 R CA -0.599 55.511 56.100 0.015 0.000 1.121 159 R CB 0.886 31.172 30.300 -0.023 0.000 1.124 159 R HN 0.517 nan 8.270 nan 0.000 0.561 160 V N -1.720 118.208 119.914 0.023 0.000 3.147 160 V HA 0.425 4.545 4.120 -0.000 0.000 0.299 160 V C -0.168 175.944 176.094 0.029 0.000 1.302 160 V CA -1.160 61.158 62.300 0.030 0.000 1.015 160 V CB 1.910 33.753 31.823 0.034 0.000 1.086 160 V HN 0.136 nan 8.190 nan 0.000 0.437 161 V N 3.200 123.135 119.914 0.035 0.000 2.529 161 V HA 0.532 4.652 4.120 -0.000 0.000 0.292 161 V C 1.678 177.796 176.094 0.040 0.000 1.028 161 V CA 1.955 64.278 62.300 0.039 0.000 1.074 161 V CB 0.179 32.027 31.823 0.042 0.000 0.958 161 V HN 2.095 nan 8.190 nan 0.000 0.481 162 G N 3.377 112.198 108.800 0.036 0.000 2.213 162 G HA2 0.001 3.961 3.960 -0.000 0.000 0.236 162 G HA3 0.001 3.961 3.960 -0.000 0.000 0.236 162 G C 0.986 175.883 174.900 -0.006 0.000 0.991 162 G CA 0.246 45.360 45.100 0.024 0.000 0.629 162 G HN 2.115 nan 8.290 nan 0.000 0.517 163 G N 0.069 108.872 108.800 0.004 0.000 2.574 163 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.282 163 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.282 163 G C 1.132 176.022 174.900 -0.018 0.000 1.257 163 G CA 1.150 46.250 45.100 -0.000 0.000 0.956 163 G HN 1.100 nan 8.290 nan 0.000 0.560 164 M N 1.432 121.016 119.600 -0.027 0.000 2.557 164 M HA 0.013 4.493 4.480 -0.000 0.000 0.259 164 M C 2.702 178.957 176.300 -0.075 0.000 1.086 164 M CA 1.680 56.973 55.300 -0.012 0.000 1.096 164 M CB -0.163 32.456 32.600 0.031 0.000 1.424 164 M HN 0.736 nan 8.290 nan 0.000 0.488 165 S N -0.248 115.316 115.700 -0.228 0.000 2.555 165 S HA -0.075 4.395 4.470 -0.000 0.000 0.230 165 S C 1.719 176.240 174.600 -0.132 0.000 0.978 165 S CA 1.231 59.139 58.200 -0.488 0.000 0.934 165 S CB -0.860 62.030 63.200 -0.517 0.000 0.766 165 S HN 0.577 nan 8.310 nan 0.000 0.533 166 T N -2.375 112.128 114.554 -0.085 0.000 3.118 166 T HA 0.455 4.805 4.350 -0.000 0.000 0.260 166 T C 1.248 175.776 174.700 -0.287 0.000 1.139 166 T CA 0.594 62.631 62.100 -0.105 0.000 1.085 166 T CB -0.046 68.829 68.868 0.013 0.000 0.934 166 T HN 0.603 nan 8.240 nan 0.000 0.518 167 A N -0.040 122.686 122.820 -0.157 0.000 2.653 167 A HA 0.420 4.740 4.320 -0.000 0.000 0.248 167 A C 0.573 178.343 177.584 0.311 0.000 1.211 167 A CA -0.719 51.398 52.037 0.133 0.000 0.991 167 A CB -0.057 19.017 19.000 0.123 0.000 1.252 167 A HN 0.620 nan 8.150 nan 0.000 0.593 168 W N 0.038 121.328 121.300 -0.018 0.000 2.049 168 W HA 0.451 5.111 4.660 -0.000 0.000 0.356 168 W C 0.070 176.675 176.519 0.143 0.000 1.323 168 W CA 0.599 58.001 57.345 0.094 0.000 1.336 168 W CB -0.746 28.754 29.460 0.066 0.000 1.176 168 W HN -0.057 nan 8.180 nan 0.000 0.623 169 T N 0.975 115.464 114.554 -0.108 0.000 3.088 169 T HA -0.015 4.335 4.350 -0.000 0.000 0.259 169 T C 1.061 175.302 174.700 -0.765 0.000 1.122 169 T CA 1.221 63.083 62.100 -0.397 0.000 1.095 169 T CB -0.509 68.290 68.868 -0.115 0.000 0.930 169 T HN 0.667 nan 8.240 nan 0.000 0.508 170 C N 0.904 119.368 119.300 -1.393 0.000 4.497 170 C HA -0.122 4.338 4.460 -0.000 0.000 0.268 170 C C 1.145 175.656 174.990 -0.799 0.000 1.343 170 C CA -0.789 57.188 59.018 -1.734 0.000 1.742 170 C CB -2.720 24.502 27.740 -0.863 0.000 1.450 170 C HN 0.763 nan 8.230 nan 0.000 0.733 171 A N 1.190 123.735 122.820 -0.460 0.000 2.451 171 A HA 0.529 4.849 4.320 -0.000 0.000 0.266 171 A C 0.796 178.283 177.584 -0.162 0.000 1.119 171 A CA 1.213 53.125 52.037 -0.210 0.000 0.786 171 A CB 0.147 19.083 19.000 -0.106 0.000 1.061 171 A HN 1.404 nan 8.150 nan 0.000 0.503 172 T N 1.642 116.123 114.554 -0.123 0.000 3.504 172 T HA 0.510 4.860 4.350 -0.000 0.000 0.286 172 T C -2.745 171.905 174.700 -0.083 0.000 1.530 172 T CA -1.457 60.605 62.100 -0.062 0.000 1.652 172 T CB 0.631 69.498 68.868 -0.001 0.000 0.895 172 T HN 0.452 nan 8.240 nan 0.000 0.674 173 P HA 0.381 nan 4.420 nan 0.000 0.277 173 P C -0.186 176.969 177.300 -0.243 0.000 1.240 173 P CA -0.614 62.384 63.100 -0.170 0.000 0.798 173 P CB 1.160 32.728 31.700 -0.220 0.000 0.979 174 R N 0.987 121.255 120.500 -0.386 0.000 2.531 174 R HA 0.398 4.738 4.340 -0.000 0.000 0.273 174 R C 0.090 176.248 176.300 -0.236 0.000 1.070 174 R CA -0.461 55.182 56.100 -0.761 0.000 1.112 174 R CB 0.208 29.898 30.300 -1.016 0.000 1.049 174 R HN 0.378 nan 8.270 nan 0.000 0.508 175 F N 1.833 121.535 119.950 -0.414 0.000 2.399 175 F HA 0.054 4.581 4.527 -0.000 0.000 0.342 175 F C 0.951 176.561 175.800 -0.316 0.000 1.106 175 F CA -1.540 56.258 58.000 -0.337 0.000 1.196 175 F CB 0.321 39.117 39.000 -0.340 0.000 1.163 175 F HN 0.539 nan 8.300 nan 0.000 0.547 176 D N 2.323 122.653 120.400 -0.116 0.000 2.398 176 D HA 0.135 4.775 4.640 -0.000 0.000 0.247 176 D C 1.037 177.252 176.300 -0.141 0.000 1.227 176 D CA -0.438 53.494 54.000 -0.113 0.000 0.980 176 D CB 0.534 41.288 40.800 -0.078 0.000 1.106 176 D HN 0.479 nan 8.370 nan 0.000 0.493 177 R N -0.140 120.303 120.500 -0.094 0.000 2.113 177 R HA -0.239 4.101 4.340 -0.000 0.000 0.244 177 R C 2.035 178.282 176.300 -0.088 0.000 1.142 177 R CA 1.981 58.033 56.100 -0.080 0.000 0.953 177 R CB -0.477 29.812 30.300 -0.019 0.000 0.860 177 R HN 0.728 nan 8.270 nan 0.000 0.438 178 E N 1.040 121.188 120.200 -0.086 0.000 2.209 178 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 178 E C 1.574 178.056 176.600 -0.196 0.000 0.993 178 E CA 1.243 57.596 56.400 -0.078 0.000 0.819 178 E CB 0.163 29.877 29.700 0.023 0.000 0.745 178 E HN 0.458 nan 8.360 nan 0.000 0.477 179 Q N -0.471 119.109 119.800 -0.368 0.000 2.384 179 Q HA 0.128 4.468 4.340 -0.000 0.000 0.207 179 Q C 0.363 176.237 176.000 -0.210 0.000 0.904 179 Q CA -0.105 55.410 55.803 -0.479 0.000 0.933 179 Q CB 0.560 28.703 28.738 -0.993 0.000 1.077 179 Q HN -0.026 nan 8.270 nan 0.000 0.522 180 R N 1.994 122.420 120.500 -0.124 0.000 2.368 180 R HA 0.263 4.603 4.340 -0.000 0.000 0.302 180 R C -2.460 173.834 176.300 -0.010 0.000 1.002 180 R CA -2.075 53.965 56.100 -0.100 0.000 0.929 180 R CB 0.845 30.915 30.300 -0.384 0.000 1.073 180 R HN -0.101 nan 8.270 nan 0.000 0.464 181 P HA 0.031 nan 4.420 nan 0.000 0.271 181 P C -0.640 176.830 177.300 0.284 0.000 1.218 181 P CA -0.038 63.156 63.100 0.156 0.000 0.780 181 P CB 0.601 32.402 31.700 0.169 0.000 0.901 182 L N 2.895 124.235 121.223 0.196 0.000 2.367 182 L HA 0.144 4.484 4.340 -0.000 0.000 0.275 182 L C 1.674 178.688 176.870 0.240 0.000 1.129 182 L CA -0.129 54.895 54.840 0.307 0.000 0.839 182 L CB 0.217 42.504 42.059 0.380 0.000 1.133 182 L HN 0.364 nan 8.230 nan 0.000 0.453 183 L N 3.636 125.038 121.223 0.298 0.000 2.470 183 L HA 0.198 4.538 4.340 -0.000 0.000 0.219 183 L C -0.181 176.858 176.870 0.283 0.000 1.071 183 L CA 0.192 55.101 54.840 0.114 0.000 0.850 183 L CB 0.659 42.560 42.059 -0.263 0.000 1.040 183 L HN 0.323 nan 8.230 nan 0.000 0.475 184 V N 1.163 121.247 119.914 0.283 0.000 2.531 184 V HA 0.237 4.357 4.120 -0.000 0.000 0.301 184 V C -0.371 175.817 176.094 0.156 0.000 1.034 184 V CA -1.034 61.373 62.300 0.179 0.000 0.865 184 V CB 1.675 33.551 31.823 0.089 0.000 0.995 184 V HN 0.172 nan 8.190 nan 0.000 0.424 185 K N 2.512 122.882 120.400 -0.050 0.000 2.144 185 K HA 0.415 4.735 4.320 -0.000 0.000 0.270 185 K C -0.200 176.375 176.600 -0.042 0.000 1.005 185 K CA -0.526 55.706 56.287 -0.091 0.000 0.932 185 K CB 0.664 32.952 32.500 -0.352 0.000 1.021 185 K HN 0.686 nan 8.250 nan 0.000 0.462 186 D N 0.611 121.011 120.400 -0.001 0.000 2.860 186 D HA -0.185 4.455 4.640 -0.000 0.000 0.229 186 D C -0.674 175.636 176.300 0.016 0.000 1.169 186 D CA 1.325 55.329 54.000 0.007 0.000 0.737 186 D CB -0.666 40.126 40.800 -0.014 0.000 1.080 186 D HN 0.721 nan 8.370 nan 0.000 0.424 187 D N -0.994 119.426 120.400 0.034 0.000 2.472 187 D HA 0.428 5.068 4.640 -0.000 0.000 0.248 187 D C 0.842 177.179 176.300 0.062 0.000 1.271 187 D CA 0.045 54.069 54.000 0.039 0.000 0.888 187 D CB 0.613 41.430 40.800 0.027 0.000 1.337 187 D HN 0.002 nan 8.370 nan 0.000 0.526 188 A N 2.156 125.015 122.820 0.065 0.000 2.070 188 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 188 A C 1.622 179.257 177.584 0.085 0.000 1.159 188 A CA 1.157 53.243 52.037 0.082 0.000 0.656 188 A CB 0.087 19.129 19.000 0.069 0.000 0.800 188 A HN 0.386 nan 8.150 nan 0.000 0.453 189 D N -0.193 120.247 120.400 0.066 0.000 2.162 189 D HA 0.076 4.716 4.640 -0.000 0.000 0.203 189 D C 2.169 178.510 176.300 0.068 0.000 0.967 189 D CA 1.288 55.326 54.000 0.062 0.000 0.840 189 D CB -0.229 40.598 40.800 0.045 0.000 0.972 189 D HN 0.410 nan 8.370 nan 0.000 0.482 190 A N 0.653 123.510 122.820 0.061 0.000 1.970 190 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 190 A C 1.899 179.528 177.584 0.076 0.000 1.170 190 A CA 1.557 53.627 52.037 0.054 0.000 0.645 190 A CB -0.350 18.673 19.000 0.037 0.000 0.816 190 A HN 0.120 nan 8.150 nan 0.000 0.447 191 D N 0.011 120.480 120.400 0.115 0.000 2.097 191 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 191 D C 1.311 177.773 176.300 0.270 0.000 0.989 191 D CA 1.591 55.705 54.000 0.189 0.000 0.827 191 D CB -0.161 40.778 40.800 0.232 0.000 0.966 191 D HN 0.305 nan 8.370 nan 0.000 0.456 192 D N -0.336 120.194 120.400 0.216 0.000 2.133 192 D HA -0.177 4.463 4.640 -0.000 0.000 0.192 192 D C 1.957 178.371 176.300 0.190 0.000 1.001 192 D CA 1.788 55.913 54.000 0.208 0.000 0.844 192 D CB -0.589 40.289 40.800 0.130 0.000 0.944 192 D HN 0.332 nan 8.370 nan 0.000 0.447 193 A N 0.291 123.183 122.820 0.120 0.000 1.930 193 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 193 A C 2.123 179.743 177.584 0.061 0.000 1.175 193 A CA 1.949 54.035 52.037 0.082 0.000 0.627 193 A CB -0.541 18.487 19.000 0.047 0.000 0.815 193 A HN 0.226 nan 8.150 nan 0.000 0.443 194 E N -0.889 119.328 120.200 0.028 0.000 2.047 194 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 194 E C 1.681 178.196 176.600 -0.141 0.000 0.987 194 E CA 1.460 57.806 56.400 -0.091 0.000 0.799 194 E CB -0.484 29.118 29.700 -0.164 0.000 0.752 194 E HN 0.711 nan 8.360 nan 0.000 0.449 195 W N 0.882 122.151 121.300 -0.053 0.000 2.338 195 W HA -0.143 4.517 4.660 -0.000 0.000 0.304 195 W C 2.178 178.701 176.519 0.007 0.000 1.212 195 W CA 1.363 58.645 57.345 -0.104 0.000 1.264 195 W CB -0.478 28.969 29.460 -0.022 0.000 1.142 195 W HN 0.267 nan 8.180 nan 0.000 0.512 196 D N -0.097 120.488 120.400 0.309 0.000 2.149 196 D HA -0.224 4.416 4.640 -0.000 0.000 0.198 196 D C 2.162 178.545 176.300 0.138 0.000 0.990 196 D CA 1.540 55.683 54.000 0.238 0.000 0.839 196 D CB -0.173 40.720 40.800 0.155 0.000 0.948 196 D HN -0.022 nan 8.370 nan 0.000 0.460 197 R N -0.375 120.157 120.500 0.053 0.000 2.066 197 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 197 R C 2.405 178.669 176.300 -0.060 0.000 1.131 197 R CA 1.050 57.142 56.100 -0.013 0.000 0.955 197 R CB -0.248 30.023 30.300 -0.049 0.000 0.851 197 R HN 0.260 nan 8.270 nan 0.000 0.432 198 L N -0.533 120.619 121.223 -0.120 0.000 2.027 198 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 198 L C 2.334 179.137 176.870 -0.112 0.000 1.074 198 L CA 1.154 55.870 54.840 -0.207 0.000 0.745 198 L CB -0.642 41.189 42.059 -0.379 0.000 0.898 198 L HN 0.187 nan 8.230 nan 0.000 0.433 199 Y N 0.405 120.713 120.300 0.014 0.000 2.224 199 Y HA -0.239 4.311 4.550 -0.000 0.000 0.289 199 Y C 2.880 178.761 175.900 -0.031 0.000 1.146 199 Y CA 1.550 59.662 58.100 0.020 0.000 1.182 199 Y CB -1.096 37.407 38.460 0.070 0.000 0.983 199 Y HN 0.131 nan 8.280 nan 0.000 0.524 200 T N -0.484 114.148 114.554 0.131 0.000 2.821 200 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 200 T C 1.983 176.656 174.700 -0.046 0.000 1.046 200 T CA 1.550 63.677 62.100 0.045 0.000 1.139 200 T CB -0.099 68.788 68.868 0.031 0.000 0.871 200 T HN 0.241 nan 8.240 nan 0.000 0.454 201 K N 0.742 121.060 120.400 -0.137 0.000 2.076 201 K HA 0.111 4.431 4.320 -0.000 0.000 0.204 201 K C 2.512 178.794 176.600 -0.530 0.000 1.051 201 K CA 0.905 56.987 56.287 -0.341 0.000 0.949 201 K CB -0.222 32.033 32.500 -0.408 0.000 0.726 201 K HN 0.243 nan 8.250 nan 0.000 0.443 202 A N 1.441 124.058 122.820 -0.337 0.000 1.933 202 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 202 A C 1.771 179.359 177.584 0.007 0.000 1.175 202 A CA 1.658 53.555 52.037 -0.233 0.000 0.628 202 A CB -0.456 18.521 19.000 -0.039 0.000 0.814 202 A HN 0.452 nan 8.150 nan 0.000 0.444 203 E N 0.313 120.561 120.200 0.080 0.000 2.110 203 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 203 E C 2.344 179.030 176.600 0.143 0.000 0.988 203 E CA 1.534 58.027 56.400 0.155 0.000 0.804 203 E CB -0.204 29.562 29.700 0.110 0.000 0.745 203 E HN 0.822 nan 8.360 nan 0.000 0.458 204 S N 0.073 115.806 115.700 0.055 0.000 2.387 204 S HA -0.150 4.320 4.470 -0.000 0.000 0.226 204 S C 1.900 176.641 174.600 0.236 0.000 1.026 204 S CA 0.574 58.837 58.200 0.104 0.000 0.972 204 S CB -0.391 62.842 63.200 0.056 0.000 0.814 204 S HN 0.191 nan 8.310 nan 0.000 0.477 205 Y N 0.766 121.078 120.300 0.020 0.000 2.181 205 Y HA 0.129 4.679 4.550 -0.000 0.000 0.288 205 Y C 2.060 177.992 175.900 0.054 0.000 1.146 205 Y CA -0.179 57.900 58.100 -0.036 0.000 1.164 205 Y CB -1.148 37.201 38.460 -0.184 0.000 0.982 205 Y HN 0.283 nan 8.280 nan 0.000 0.515 206 F N 0.536 120.650 119.950 0.273 0.000 2.748 206 F HA -0.015 4.512 4.527 -0.000 0.000 0.299 206 F C 0.869 176.790 175.800 0.202 0.000 1.154 206 F CA 0.261 58.412 58.000 0.252 0.000 1.446 206 F CB -0.539 38.626 39.000 0.274 0.000 1.112 206 F HN 0.040 nan 8.300 nan 0.000 0.584 207 Q N 0.590 120.594 119.800 0.340 0.000 2.451 207 Q HA -0.208 4.132 4.340 -0.000 0.000 0.305 207 Q C 0.115 176.215 176.000 0.168 0.000 1.345 207 Q CA 0.757 56.683 55.803 0.206 0.000 0.854 207 Q CB -2.532 26.300 28.738 0.157 0.000 1.162 207 Q HN 0.204 nan 8.270 nan 0.000 0.440 208 T N -0.130 114.537 114.554 0.187 0.000 2.916 208 T HA 0.474 4.824 4.350 -0.000 0.000 0.303 208 T C 0.750 175.490 174.700 0.066 0.000 1.025 208 T CA 0.527 62.699 62.100 0.121 0.000 1.142 208 T CB 1.326 70.277 68.868 0.139 0.000 0.947 208 T HN 0.498 nan 8.240 nan 0.000 0.544 209 G N 0.644 109.466 108.800 0.038 0.000 2.684 209 G HA2 0.544 4.504 3.960 -0.000 0.000 0.290 209 G HA3 0.544 4.504 3.960 -0.000 0.000 0.290 209 G C 0.029 174.943 174.900 0.023 0.000 1.425 209 G CA -0.622 44.491 45.100 0.021 0.000 0.822 209 G HN 0.621 nan 8.290 nan 0.000 0.482 210 T N -2.296 112.271 114.554 0.021 0.000 3.339 210 T HA 0.272 4.622 4.350 -0.000 0.000 0.292 210 T C 0.112 174.830 174.700 0.030 0.000 1.012 210 T CA 0.445 62.566 62.100 0.036 0.000 0.937 210 T CB 0.356 69.250 68.868 0.043 0.000 1.164 210 T HN 0.508 nan 8.240 nan 0.000 0.509 211 D N 0.246 120.645 120.400 -0.002 0.000 2.500 211 D HA 0.055 4.695 4.640 -0.000 0.000 0.217 211 D C 1.282 177.522 176.300 -0.099 0.000 1.159 211 D CA -0.078 53.900 54.000 -0.037 0.000 0.828 211 D CB 0.002 40.773 40.800 -0.047 0.000 1.039 211 D HN 0.265 nan 8.370 nan 0.000 0.512 212 Q N -0.409 119.338 119.800 -0.087 0.000 2.369 212 Q HA 0.147 4.487 4.340 -0.000 0.000 0.206 212 Q C 0.310 175.960 176.000 -0.584 0.000 0.963 212 Q CA 0.897 56.526 55.803 -0.290 0.000 0.894 212 Q CB -0.232 28.329 28.738 -0.295 0.000 0.965 212 Q HN 0.280 nan 8.270 nan 0.000 0.475 213 F N -0.124 119.663 119.950 -0.272 0.000 2.698 213 F HA 0.230 4.757 4.527 -0.000 0.000 0.304 213 F C 1.245 176.828 175.800 -0.362 0.000 1.108 213 F CA -0.528 57.263 58.000 -0.349 0.000 1.263 213 F CB 0.346 39.060 39.000 -0.476 0.000 1.013 213 F HN -0.001 nan 8.300 nan 0.000 0.532 214 K N 0.340 120.640 120.400 -0.168 0.000 2.209 214 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 214 K C 0.750 177.249 176.600 -0.169 0.000 1.048 214 K CA 1.652 57.887 56.287 -0.087 0.000 0.940 214 K CB -0.177 32.267 32.500 -0.094 0.000 0.729 214 K HN 0.311 nan 8.250 nan 0.000 0.451 215 E N 1.690 121.668 120.200 -0.370 0.000 2.496 215 E HA 0.050 4.400 4.350 -0.000 0.000 0.200 215 E C -0.686 175.739 176.600 -0.292 0.000 1.016 215 E CA -0.357 55.583 56.400 -0.766 0.000 0.962 215 E CB 0.936 30.049 29.700 -0.978 0.000 1.071 215 E HN 0.247 nan 8.360 nan 0.000 0.457 216 S N 0.452 116.142 115.700 -0.017 0.000 2.528 216 S HA 0.147 4.617 4.470 -0.000 0.000 0.277 216 S C 1.174 175.866 174.600 0.152 0.000 1.297 216 S CA -0.420 57.834 58.200 0.090 0.000 1.052 216 S CB 0.561 63.872 63.200 0.186 0.000 0.917 216 S HN 0.198 nan 8.310 nan 0.000 0.492 217 I N 4.655 125.201 120.570 -0.039 0.000 2.179 217 I HA -0.143 4.027 4.170 -0.000 0.000 0.242 217 I C 2.770 178.720 176.117 -0.279 0.000 1.088 217 I CA 1.230 62.267 61.300 -0.438 0.000 1.357 217 I CB -0.216 37.304 38.000 -0.800 0.000 1.051 217 I HN 0.703 nan 8.210 nan 0.000 0.409 218 R N -0.619 119.803 120.500 -0.130 0.000 2.096 218 R HA -0.238 4.102 4.340 -0.000 0.000 0.235 218 R C 2.358 178.686 176.300 0.047 0.000 1.127 218 R CA 1.729 57.800 56.100 -0.047 0.000 0.968 218 R CB -0.645 29.643 30.300 -0.020 0.000 0.861 218 R HN 0.428 nan 8.270 nan 0.000 0.440 219 H N 1.091 120.178 119.070 0.029 0.000 2.290 219 H HA -0.074 4.482 4.556 -0.000 0.000 0.298 219 H C 1.758 177.155 175.328 0.115 0.000 1.087 219 H CA 1.999 58.087 56.048 0.067 0.000 1.291 219 H CB -0.095 29.740 29.762 0.121 0.000 1.369 219 H HN 0.132 nan 8.280 nan 0.000 0.492 220 N N -0.006 118.809 118.700 0.191 0.000 2.270 220 N HA -0.121 4.619 4.740 -0.000 0.000 0.181 220 N C 2.014 177.666 175.510 0.237 0.000 1.016 220 N CA 0.919 54.110 53.050 0.236 0.000 0.870 220 N CB -0.198 38.634 38.487 0.575 0.000 0.979 220 N HN 0.290 nan 8.380 nan 0.000 0.431 221 L N 1.310 122.680 121.223 0.245 0.000 2.013 221 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 221 L C 2.119 179.045 176.870 0.094 0.000 1.073 221 L CA 1.449 56.434 54.840 0.241 0.000 0.753 221 L CB -0.598 41.542 42.059 0.136 0.000 0.890 221 L HN -0.110 nan 8.230 nan 0.000 0.432 222 V N -1.045 118.875 119.914 0.010 0.000 2.407 222 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 222 V C 2.382 178.407 176.094 -0.115 0.000 1.041 222 V CA 1.376 63.651 62.300 -0.043 0.000 1.040 222 V CB -0.420 31.354 31.823 -0.082 0.000 0.671 222 V HN 0.491 nan 8.190 nan 0.000 0.455 223 L N 1.001 122.119 121.223 -0.175 0.000 2.012 223 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 223 L C 2.142 178.947 176.870 -0.110 0.000 1.073 223 L CA 2.122 56.850 54.840 -0.187 0.000 0.748 223 L CB -0.886 41.019 42.059 -0.256 0.000 0.891 223 L HN 0.317 nan 8.230 nan 0.000 0.431 224 N N -0.297 118.389 118.700 -0.023 0.000 2.216 224 N HA -0.172 4.568 4.740 -0.000 0.000 0.183 224 N C 1.812 177.304 175.510 -0.030 0.000 1.017 224 N CA 1.163 54.215 53.050 0.003 0.000 0.861 224 N CB -0.261 38.259 38.487 0.054 0.000 0.986 224 N HN 0.291 nan 8.380 nan 0.000 0.428 225 K N 1.384 121.766 120.400 -0.030 0.000 2.057 225 K HA 0.079 4.399 4.320 -0.000 0.000 0.206 225 K C 1.873 178.421 176.600 -0.086 0.000 1.050 225 K CA 0.856 57.122 56.287 -0.035 0.000 0.935 225 K CB -0.375 32.123 32.500 -0.002 0.000 0.715 225 K HN 0.110 nan 8.250 nan 0.000 0.439 226 L N 0.005 121.110 121.223 -0.197 0.000 2.093 226 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 226 L C 2.217 178.876 176.870 -0.353 0.000 1.085 226 L CA 1.521 56.124 54.840 -0.394 0.000 0.755 226 L CB -0.715 40.743 42.059 -1.002 0.000 0.904 226 L HN 0.234 nan 8.230 nan 0.000 0.435 227 T N -0.693 113.705 114.554 -0.260 0.000 2.684 227 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 227 T C 1.786 176.521 174.700 0.058 0.000 1.036 227 T CA 1.776 63.880 62.100 0.007 0.000 1.148 227 T CB -0.135 68.755 68.868 0.038 0.000 0.863 227 T HN 0.422 nan 8.240 nan 0.000 0.436 228 E N 0.734 120.935 120.200 0.002 0.000 2.051 228 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 228 E C 2.072 178.661 176.600 -0.020 0.000 0.991 228 E CA 1.083 57.481 56.400 -0.003 0.000 0.799 228 E CB -0.024 29.662 29.700 -0.024 0.000 0.748 228 E HN 0.383 nan 8.360 nan 0.000 0.449 229 E N -0.394 119.773 120.200 -0.055 0.000 2.204 229 E HA -0.161 4.188 4.350 -0.000 0.000 0.195 229 E C 0.991 177.413 176.600 -0.296 0.000 0.990 229 E CA 0.907 57.199 56.400 -0.180 0.000 0.821 229 E CB -0.053 29.501 29.700 -0.244 0.000 0.750 229 E HN 0.499 nan 8.360 nan 0.000 0.477 230 Y N 0.420 120.747 120.300 0.046 0.000 2.607 230 Y HA 0.164 4.714 4.550 -0.000 0.000 0.266 230 Y C 0.693 176.654 175.900 0.101 0.000 1.178 230 Y CA -0.371 57.798 58.100 0.115 0.000 1.226 230 Y CB 0.413 39.044 38.460 0.285 0.000 1.144 230 Y HN -0.307 nan 8.280 nan 0.000 0.528 231 K N 0.865 121.351 120.400 0.143 0.000 2.491 231 K HA 0.003 4.323 4.320 -0.000 0.000 0.279 231 K C 1.127 177.786 176.600 0.099 0.000 1.026 231 K CA 1.229 57.582 56.287 0.111 0.000 1.070 231 K CB 0.111 32.644 32.500 0.056 0.000 0.887 231 K HN 0.679 nan 8.250 nan 0.000 0.481 232 G N 3.425 112.285 108.800 0.101 0.000 2.203 232 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 232 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 232 G C 0.515 175.472 174.900 0.094 0.000 1.012 232 G CA 1.031 46.180 45.100 0.082 0.000 0.749 232 G HN 0.789 nan 8.290 nan 0.000 0.512 233 Q N -1.860 118.023 119.800 0.139 0.000 2.527 233 Q HA 0.229 4.569 4.340 -0.000 0.000 0.252 233 Q C 1.123 177.206 176.000 0.138 0.000 0.827 233 Q CA 0.174 56.068 55.803 0.151 0.000 0.979 233 Q CB 1.012 29.877 28.738 0.212 0.000 1.248 233 Q HN 0.533 nan 8.270 nan 0.000 0.578 234 R N 0.360 120.954 120.500 0.158 0.000 2.707 234 R HA 0.381 4.721 4.340 -0.000 0.000 0.272 234 R C -1.732 174.598 176.300 0.051 0.000 1.011 234 R CA -0.761 55.346 56.100 0.011 0.000 0.893 234 R CB 1.640 31.735 30.300 -0.342 0.000 1.233 234 R HN -0.076 nan 8.270 nan 0.000 0.464 235 D N 1.323 121.679 120.400 -0.074 0.000 2.168 235 D HA 0.407 5.047 4.640 -0.000 0.000 0.246 235 D C -0.794 175.394 176.300 -0.186 0.000 1.050 235 D CA 0.128 54.126 54.000 -0.004 0.000 0.857 235 D CB 1.166 41.963 40.800 -0.004 0.000 1.169 235 D HN 0.136 nan 8.370 nan 0.000 0.453 236 F N 0.764 120.717 119.950 0.006 0.000 2.561 236 F HA 0.410 4.937 4.527 -0.000 0.000 0.321 236 F C 0.627 176.437 175.800 0.018 0.000 1.065 236 F CA -0.620 57.376 58.000 -0.006 0.000 0.934 236 F CB 1.812 40.803 39.000 -0.015 0.000 1.215 236 F HN 0.223 nan 8.300 nan 0.000 0.471 237 Q N 0.002 119.916 119.800 0.190 0.000 2.737 237 Q HA 0.328 4.668 4.340 -0.000 0.000 0.307 237 Q C -1.694 174.412 176.000 0.177 0.000 0.905 237 Q CA -1.264 54.631 55.803 0.154 0.000 0.753 237 Q CB 1.774 30.570 28.738 0.096 0.000 1.463 237 Q HN 0.619 nan 8.270 nan 0.000 0.455 238 Q N 0.843 120.767 119.800 0.208 0.000 2.352 238 Q HA 0.293 4.633 4.340 -0.000 0.000 0.260 238 Q C -0.542 175.521 176.000 0.104 0.000 0.976 238 Q CA -0.316 55.618 55.803 0.219 0.000 0.881 238 Q CB 0.624 29.462 28.738 0.167 0.000 1.235 238 Q HN 0.589 nan 8.270 nan 0.000 0.419 239 I N 6.096 126.704 120.570 0.062 0.000 2.752 239 I HA -0.043 4.127 4.170 -0.000 0.000 0.289 239 I C -1.975 174.153 176.117 0.019 0.000 1.197 239 I CA -1.408 59.905 61.300 0.021 0.000 1.432 239 I CB 0.236 38.211 38.000 -0.042 0.000 1.359 239 I HN 0.450 nan 8.210 nan 0.000 0.571 240 P HA 0.213 nan 4.420 nan 0.000 0.271 240 P C -0.946 176.346 177.300 -0.013 0.000 1.226 240 P CA 0.157 63.258 63.100 0.002 0.000 0.765 240 P CB 0.445 32.134 31.700 -0.019 0.000 0.835 241 L N 2.324 123.553 121.223 0.010 0.000 2.365 241 L HA 0.649 4.989 4.340 -0.000 0.000 0.273 241 L C 0.336 177.206 176.870 -0.000 0.000 1.000 241 L CA -1.189 53.655 54.840 0.006 0.000 0.819 241 L CB 2.057 44.198 42.059 0.136 0.000 1.284 241 L HN 0.239 nan 8.230 nan 0.000 0.418 242 A N 2.956 125.734 122.820 -0.070 0.000 2.539 242 A HA 0.767 5.087 4.320 -0.000 0.000 0.306 242 A C 0.032 177.654 177.584 0.063 0.000 1.392 242 A CA 0.165 52.210 52.037 0.013 0.000 1.060 242 A CB -0.333 18.622 19.000 -0.075 0.000 1.134 242 A HN 0.833 nan 8.150 nan 0.000 0.542 243 A N 2.010 124.836 122.820 0.009 0.000 2.581 243 A HA 0.720 5.040 4.320 -0.000 0.000 0.294 243 A C -0.523 176.959 177.584 -0.171 0.000 1.035 243 A CA -0.486 51.459 52.037 -0.153 0.000 0.684 243 A CB 0.599 19.308 19.000 -0.484 0.000 1.282 243 A HN 0.732 nan 8.150 nan 0.000 0.417 244 T N 1.316 115.739 114.554 -0.219 0.000 2.841 244 T HA 0.512 4.862 4.350 -0.000 0.000 0.285 244 T C -0.060 174.495 174.700 -0.242 0.000 0.991 244 T CA -0.446 61.549 62.100 -0.175 0.000 0.966 244 T CB 1.284 70.104 68.868 -0.080 0.000 0.962 244 T HN 0.738 nan 8.240 nan 0.000 0.438 245 R N 2.248 122.591 120.500 -0.260 0.000 2.442 245 R HA 0.257 4.597 4.340 -0.000 0.000 0.291 245 R C 0.796 177.014 176.300 -0.137 0.000 1.069 245 R CA -0.342 55.599 56.100 -0.264 0.000 1.022 245 R CB 0.386 30.492 30.300 -0.322 0.000 0.976 245 R HN 0.462 nan 8.270 nan 0.000 0.443 246 R N 1.068 121.533 120.500 -0.059 0.000 2.279 246 R HA 0.123 4.463 4.340 -0.000 0.000 0.195 246 R C 0.130 176.404 176.300 -0.043 0.000 0.905 246 R CA 0.588 56.669 56.100 -0.031 0.000 1.044 246 R CB 0.574 30.886 30.300 0.020 0.000 1.056 246 R HN 0.758 nan 8.270 nan 0.000 0.535 247 S N -1.159 114.525 115.700 -0.026 0.000 2.611 247 S HA 0.340 4.810 4.470 -0.000 0.000 0.268 247 S C -2.660 171.906 174.600 -0.055 0.000 1.156 247 S CA -1.029 57.152 58.200 -0.031 0.000 0.817 247 S CB 2.131 65.334 63.200 0.005 0.000 1.122 247 S HN -0.268 nan 8.310 nan 0.000 0.466 248 P HA 0.025 nan 4.420 nan 0.000 0.223 248 P C 0.967 178.237 177.300 -0.051 0.000 1.144 248 P CA 1.676 64.733 63.100 -0.071 0.000 0.783 248 P CB -0.179 31.500 31.700 -0.036 0.000 0.771 249 T N -6.957 107.598 114.554 0.001 0.000 3.091 249 T HA 0.289 4.639 4.350 -0.000 0.000 0.277 249 T C -0.229 174.512 174.700 0.068 0.000 0.996 249 T CA -0.314 61.805 62.100 0.031 0.000 0.897 249 T CB -0.491 68.416 68.868 0.066 0.000 1.109 249 T HN -0.129 nan 8.240 nan 0.000 0.534 250 F N 1.629 121.514 119.950 -0.108 0.000 2.579 250 F HA 0.652 5.179 4.527 -0.000 0.000 0.325 250 F C -1.506 174.159 175.800 -0.225 0.000 1.162 250 F CA -1.160 56.770 58.000 -0.116 0.000 0.946 250 F CB 1.938 40.888 39.000 -0.084 0.000 1.211 250 F HN -0.122 nan 8.300 nan 0.000 0.447 251 V N 5.436 125.034 119.914 -0.527 0.000 2.409 251 V HA 0.274 4.394 4.120 -0.000 0.000 0.291 251 V C -0.346 175.261 176.094 -0.812 0.000 1.020 251 V CA -0.798 61.102 62.300 -0.666 0.000 0.848 251 V CB 1.652 32.883 31.823 -0.987 0.000 0.990 251 V HN 0.706 nan 8.190 nan 0.000 0.430 252 E N 4.662 124.631 120.200 -0.385 0.000 2.052 252 E HA 0.162 4.512 4.350 -0.000 0.000 0.283 252 E C -1.060 175.328 176.600 -0.352 0.000 1.071 252 E CA -0.539 55.753 56.400 -0.180 0.000 0.851 252 E CB 0.495 30.259 29.700 0.106 0.000 1.066 252 E HN 0.622 nan 8.360 nan 0.000 0.396 253 W N 2.978 124.194 121.300 -0.140 0.000 2.218 253 W HA 0.134 4.794 4.660 -0.000 0.000 0.326 253 W C 0.660 177.220 176.519 0.069 0.000 1.276 253 W CA -0.540 56.702 57.345 -0.172 0.000 1.210 253 W CB 0.911 30.031 29.460 -0.567 0.000 1.143 253 W HN 0.339 nan 8.180 nan 0.000 0.563 254 S N 1.545 117.470 115.700 0.374 0.000 2.624 254 S HA 0.601 5.071 4.470 -0.000 0.000 0.263 254 S C 0.128 175.180 174.600 0.753 0.000 1.287 254 S CA -0.520 57.968 58.200 0.480 0.000 0.990 254 S CB 1.083 64.572 63.200 0.481 0.000 0.950 254 S HN 0.515 nan 8.310 nan 0.000 0.561 255 S N -0.449 115.637 115.700 0.645 0.000 2.703 255 S HA 0.678 5.148 4.470 -0.000 0.000 0.273 255 S C 0.798 175.604 174.600 0.344 0.000 1.178 255 S CA -0.343 58.173 58.200 0.526 0.000 0.838 255 S CB 0.478 63.913 63.200 0.390 0.000 1.178 255 S HN 0.748 nan 8.310 nan 0.000 0.494 256 A N 1.846 124.763 122.820 0.162 0.000 1.915 256 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 256 A C 2.037 179.679 177.584 0.096 0.000 1.198 256 A CA 2.450 54.541 52.037 0.089 0.000 0.647 256 A CB -1.722 17.304 19.000 0.043 0.000 0.825 256 A HN 0.901 nan 8.150 nan 0.000 0.456 257 N N -0.787 117.977 118.700 0.106 0.000 2.137 257 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 257 N C 1.586 177.126 175.510 0.051 0.000 1.017 257 N CA 2.132 55.217 53.050 0.059 0.000 0.859 257 N CB -0.285 38.248 38.487 0.078 0.000 1.002 257 N HN 0.507 nan 8.380 nan 0.000 0.428 258 T N 0.477 115.112 114.554 0.135 0.000 2.777 258 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 258 T C 2.068 176.809 174.700 0.068 0.000 1.040 258 T CA 1.140 63.325 62.100 0.141 0.000 1.141 258 T CB -0.181 68.853 68.868 0.278 0.000 0.868 258 T HN 0.063 nan 8.240 nan 0.000 0.444 259 V N -0.400 119.539 119.914 0.042 0.000 2.358 259 V HA 0.134 4.254 4.120 -0.000 0.000 0.246 259 V C 0.517 176.568 176.094 -0.070 0.000 1.047 259 V CA 1.009 63.252 62.300 -0.096 0.000 1.035 259 V CB -0.389 31.335 31.823 -0.164 0.000 0.658 259 V HN 0.484 nan 8.190 nan 0.000 0.452 260 F N 0.763 120.589 119.950 -0.208 0.000 2.622 260 F HA 0.372 4.899 4.527 -0.000 0.000 0.318 260 F C 0.096 175.779 175.800 -0.195 0.000 1.135 260 F CA -1.499 56.347 58.000 -0.256 0.000 1.015 260 F CB 1.381 40.171 39.000 -0.350 0.000 1.275 260 F HN 0.137 nan 8.300 nan 0.000 0.457 261 D N 4.673 124.562 120.400 -0.852 0.000 2.363 261 D HA -0.019 4.621 4.640 -0.000 0.000 0.220 261 D C 1.181 177.199 176.300 -0.471 0.000 0.994 261 D CA 1.072 54.759 54.000 -0.521 0.000 0.890 261 D CB -0.027 40.530 40.800 -0.404 0.000 0.906 261 D HN 0.677 nan 8.370 nan 0.000 0.530 262 L N -1.839 118.938 121.223 -0.742 0.000 4.696 262 L HA -0.239 4.101 4.340 -0.000 0.000 0.425 262 L C -0.225 176.644 176.870 -0.002 0.000 1.115 262 L CA 0.505 55.241 54.840 -0.174 0.000 0.996 262 L CB -1.377 40.718 42.059 0.060 0.000 2.077 262 L HN 0.219 nan 8.230 nan 0.000 0.792 263 Q N 0.848 120.530 119.800 -0.196 0.000 2.314 263 Q HA 0.237 4.577 4.340 -0.000 0.000 0.258 263 Q C 0.370 176.441 176.000 0.118 0.000 0.954 263 Q CA -0.145 55.626 55.803 -0.053 0.000 0.890 263 Q CB 0.728 29.391 28.738 -0.125 0.000 1.210 263 Q HN 0.115 nan 8.270 nan 0.000 0.410 264 N N 2.009 120.770 118.700 0.101 0.000 2.454 264 N HA 0.054 4.794 4.740 -0.000 0.000 0.254 264 N C -0.340 175.230 175.510 0.099 0.000 1.228 264 N CA 0.444 53.548 53.050 0.091 0.000 0.900 264 N CB 0.558 39.007 38.487 -0.063 0.000 1.089 264 N HN 0.254 nan 8.380 nan 0.000 0.449 265 R N 1.645 122.229 120.500 0.139 0.000 2.807 265 R HA 0.522 4.862 4.340 -0.000 0.000 0.276 265 R C -2.483 173.853 176.300 0.060 0.000 0.979 265 R CA -1.638 54.523 56.100 0.102 0.000 0.928 265 R CB 1.506 31.889 30.300 0.138 0.000 1.191 265 R HN 0.355 nan 8.270 nan 0.000 0.471 266 P HA 0.148 nan 4.420 nan 0.000 0.275 266 P C -1.314 176.029 177.300 0.072 0.000 1.228 266 P CA -0.396 62.767 63.100 0.104 0.000 0.786 266 P CB 0.678 32.496 31.700 0.196 0.000 0.927 267 N N -1.277 117.457 118.700 0.057 0.000 2.902 267 N HA 0.266 5.006 4.740 -0.000 0.000 0.268 267 N C 0.476 176.000 175.510 0.024 0.000 1.450 267 N CA -0.785 52.283 53.050 0.031 0.000 0.819 267 N CB -0.499 37.994 38.487 0.009 0.000 1.540 267 N HN 0.018 nan 8.380 nan 0.000 0.545 268 T N -0.712 113.848 114.554 0.011 0.000 2.737 268 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 268 T C 0.360 175.062 174.700 0.003 0.000 1.040 268 T CA 1.729 63.833 62.100 0.007 0.000 1.142 268 T CB -0.451 68.416 68.868 -0.001 0.000 0.861 268 T HN 0.521 nan 8.240 nan 0.000 0.456 269 D N 0.815 121.212 120.400 -0.005 0.000 2.249 269 D HA 0.179 4.819 4.640 -0.000 0.000 0.205 269 D C 0.877 177.176 176.300 -0.001 0.000 0.962 269 D CA 0.489 54.482 54.000 -0.011 0.000 0.860 269 D CB 0.195 40.977 40.800 -0.031 0.000 0.955 269 D HN 0.390 nan 8.370 nan 0.000 0.505 270 A N 1.404 124.231 122.820 0.012 0.000 3.266 270 A HA 0.314 4.634 4.320 -0.000 0.000 0.310 270 A C -1.972 175.652 177.584 0.066 0.000 1.066 270 A CA -0.871 51.186 52.037 0.032 0.000 0.839 270 A CB 1.013 20.028 19.000 0.024 0.000 1.192 270 A HN -0.159 nan 8.150 nan 0.000 0.496 271 P HA -0.092 nan 4.420 nan 0.000 0.226 271 P C 0.620 178.045 177.300 0.208 0.000 1.153 271 P CA 1.131 64.295 63.100 0.106 0.000 0.777 271 P CB 0.476 32.213 31.700 0.062 0.000 0.794 272 E N -0.505 119.818 120.200 0.205 0.000 2.498 272 E HA 0.093 4.443 4.350 -0.000 0.000 0.203 272 E C 0.254 176.989 176.600 0.225 0.000 1.013 272 E CA -0.048 56.554 56.400 0.336 0.000 0.927 272 E CB 0.441 30.259 29.700 0.198 0.000 1.012 272 E HN 0.454 nan 8.360 nan 0.000 0.482 273 E N 0.889 121.157 120.200 0.114 0.000 2.283 273 E HA 0.367 4.717 4.350 -0.000 0.000 0.267 273 E C -0.308 176.257 176.600 -0.058 0.000 1.045 273 E CA -0.319 56.096 56.400 0.025 0.000 0.884 273 E CB 1.274 31.017 29.700 0.071 0.000 1.106 273 E HN -0.110 nan 8.360 nan 0.000 0.408 274 R N 1.886 122.338 120.500 -0.081 0.000 2.473 274 R HA 0.401 4.741 4.340 -0.000 0.000 0.303 274 R C -1.533 174.824 176.300 0.094 0.000 1.002 274 R CA -0.541 55.502 56.100 -0.095 0.000 0.884 274 R CB 0.987 31.117 30.300 -0.284 0.000 1.173 274 R HN 0.380 nan 8.270 nan 0.000 0.464 275 F N 2.420 122.341 119.950 -0.047 0.000 2.588 275 F HA 0.449 4.976 4.527 -0.000 0.000 0.318 275 F C -1.614 174.114 175.800 -0.120 0.000 1.155 275 F CA -0.772 57.199 58.000 -0.048 0.000 0.967 275 F CB 1.874 40.921 39.000 0.077 0.000 1.236 275 F HN 0.373 nan 8.300 nan 0.000 0.455 276 N N 4.962 123.005 118.700 -1.095 0.000 2.314 276 N HA 0.571 5.311 4.740 -0.000 0.000 0.294 276 N C -1.891 172.565 175.510 -1.757 0.000 1.029 276 N CA -0.638 51.682 53.050 -1.217 0.000 0.845 276 N CB 2.268 40.209 38.487 -0.910 0.000 1.321 276 N HN 0.584 nan 8.380 nan 0.000 0.481 277 L N 2.455 122.866 121.223 -1.353 0.000 2.295 277 L HA 0.632 4.972 4.340 -0.000 0.000 0.285 277 L C -1.623 174.672 176.870 -0.958 0.000 1.035 277 L CA -0.280 54.010 54.840 -0.917 0.000 0.806 277 L CB 0.079 41.969 42.059 -0.280 0.000 1.214 277 L HN 0.439 nan 8.230 nan 0.000 0.426 278 F N 6.477 126.172 119.950 -0.426 0.000 2.359 278 F HA 0.556 5.083 4.527 -0.000 0.000 0.369 278 F C -2.122 173.622 175.800 -0.093 0.000 1.084 278 F CA -2.067 55.781 58.000 -0.253 0.000 1.096 278 F CB 0.821 39.650 39.000 -0.285 0.000 1.335 278 F HN 0.426 nan 8.300 nan 0.000 0.457 279 P HA 0.352 nan 4.420 nan 0.000 0.276 279 P C -0.063 177.292 177.300 0.093 0.000 1.252 279 P CA -0.226 62.914 63.100 0.066 0.000 0.802 279 P CB 1.159 32.879 31.700 0.033 0.000 1.035 280 A N -0.892 121.968 122.820 0.067 0.000 2.869 280 A HA -0.091 4.229 4.320 -0.000 0.000 0.280 280 A C -0.091 177.524 177.584 0.051 0.000 1.458 280 A CA 0.710 52.780 52.037 0.055 0.000 0.776 280 A CB -2.419 16.613 19.000 0.052 0.000 1.028 280 A HN 0.264 nan 8.150 nan 0.000 0.547 281 V N -0.278 119.681 119.914 0.076 0.000 2.409 281 V HA 0.664 4.784 4.120 -0.000 0.000 0.290 281 V C 0.578 176.683 176.094 0.019 0.000 1.017 281 V CA -0.337 62.006 62.300 0.072 0.000 0.841 281 V CB 1.549 33.502 31.823 0.216 0.000 1.003 281 V HN 1.510 nan 8.190 nan 0.000 0.426 282 A N 4.292 127.094 122.820 -0.030 0.000 2.396 282 A HA 0.440 4.760 4.320 -0.000 0.000 0.279 282 A C 0.182 177.744 177.584 -0.038 0.000 1.165 282 A CA -0.110 51.898 52.037 -0.047 0.000 0.824 282 A CB -0.193 18.825 19.000 0.030 0.000 1.100 282 A HN 0.863 nan 8.150 nan 0.000 0.516 283 C N 2.664 121.918 119.300 -0.076 0.000 2.435 283 C HA 0.375 4.835 4.460 -0.000 0.000 0.375 283 C C 1.369 176.333 174.990 -0.044 0.000 1.281 283 C CA -0.243 58.720 59.018 -0.092 0.000 1.963 283 C CB -0.056 27.618 27.740 -0.110 0.000 2.490 283 C HN 1.016 nan 8.230 nan 0.000 0.557 284 E N 0.689 120.897 120.200 0.013 0.000 2.364 284 E HA 0.109 4.459 4.350 -0.000 0.000 0.203 284 E C 0.073 176.662 176.600 -0.018 0.000 0.888 284 E CA 0.256 56.673 56.400 0.028 0.000 0.989 284 E CB 0.501 30.273 29.700 0.120 0.000 0.985 284 E HN 0.764 nan 8.360 nan 0.000 0.499 285 R N 0.028 120.525 120.500 -0.005 0.000 2.664 285 R HA 0.401 4.741 4.340 -0.000 0.000 0.260 285 R C -1.005 175.271 176.300 -0.040 0.000 1.062 285 R CA -0.850 55.225 56.100 -0.041 0.000 0.902 285 R CB 0.907 31.160 30.300 -0.079 0.000 1.258 285 R HN -0.089 nan 8.270 nan 0.000 0.465 286 V N -0.510 119.362 119.914 -0.070 0.000 2.483 286 V HA 0.656 4.776 4.120 -0.000 0.000 0.295 286 V C 0.076 176.111 176.094 -0.098 0.000 1.035 286 V CA -0.954 61.266 62.300 -0.134 0.000 0.896 286 V CB 1.716 33.419 31.823 -0.200 0.000 0.986 286 V HN 0.520 nan 8.190 nan 0.000 0.447 287 V N 5.372 125.213 119.914 -0.122 0.000 2.383 287 V HA 0.461 4.581 4.120 -0.000 0.000 0.275 287 V C 0.565 176.633 176.094 -0.043 0.000 1.036 287 V CA -0.384 61.873 62.300 -0.070 0.000 0.889 287 V CB 1.009 32.806 31.823 -0.043 0.000 0.985 287 V HN 0.940 nan 8.190 nan 0.000 0.459 288 R N 3.738 124.235 120.500 -0.006 0.000 2.457 288 R HA 0.372 4.712 4.340 -0.000 0.000 0.284 288 R C 0.179 176.515 176.300 0.061 0.000 1.024 288 R CA -0.692 55.468 56.100 0.100 0.000 1.025 288 R CB 0.821 31.173 30.300 0.087 0.000 1.063 288 R HN 0.853 nan 8.270 nan 0.000 0.493 289 N N 1.209 119.957 118.700 0.079 0.000 2.354 289 N HA 0.011 4.751 4.740 -0.000 0.000 0.246 289 N C 0.538 176.041 175.510 -0.011 0.000 1.285 289 N CA 0.041 53.104 53.050 0.020 0.000 0.925 289 N CB 0.496 38.991 38.487 0.014 0.000 1.174 289 N HN 0.585 nan 8.380 nan 0.000 0.478 290 A N 0.015 122.822 122.820 -0.021 0.000 2.019 290 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 290 A C 1.981 179.535 177.584 -0.049 0.000 1.164 290 A CA 1.114 53.132 52.037 -0.031 0.000 0.644 290 A CB -0.715 18.270 19.000 -0.024 0.000 0.805 290 A HN 0.572 nan 8.150 nan 0.000 0.449 291 L N -0.842 120.341 121.223 -0.067 0.000 2.558 291 L HA 0.132 4.472 4.340 -0.000 0.000 0.225 291 L C 0.087 176.855 176.870 -0.170 0.000 1.128 291 L CA 0.089 54.871 54.840 -0.097 0.000 0.868 291 L CB -0.597 41.406 42.059 -0.094 0.000 1.006 291 L HN 0.307 nan 8.230 nan 0.000 0.454 292 N N 0.187 118.768 118.700 -0.198 0.000 2.708 292 N HA -0.190 4.550 4.740 -0.000 0.000 0.255 292 N C 0.768 175.673 175.510 -1.009 0.000 1.046 292 N CA 1.004 53.811 53.050 -0.404 0.000 0.715 292 N CB -1.145 37.248 38.487 -0.156 0.000 0.895 292 N HN 0.583 nan 8.380 nan 0.000 0.545 293 S N -2.025 113.184 115.700 -0.818 0.000 2.744 293 S HA 0.261 4.731 4.470 -0.000 0.000 0.265 293 S C 0.140 174.490 174.600 -0.416 0.000 1.065 293 S CA -0.225 57.580 58.200 -0.658 0.000 1.191 293 S CB 1.502 64.538 63.200 -0.273 0.000 1.150 293 S HN 0.369 nan 8.310 nan 0.000 0.646 294 E N 0.573 120.642 120.200 -0.218 0.000 2.363 294 E HA 0.413 4.763 4.350 -0.000 0.000 0.281 294 E C -1.654 175.149 176.600 0.337 0.000 0.953 294 E CA -0.800 55.706 56.400 0.177 0.000 0.778 294 E CB 1.286 31.055 29.700 0.115 0.000 1.220 294 E HN 0.142 nan 8.360 nan 0.000 0.431 295 I N 3.660 124.407 120.570 0.294 0.000 2.395 295 I HA 0.118 4.288 4.170 -0.000 0.000 0.289 295 I C 1.001 177.083 176.117 -0.059 0.000 1.023 295 I CA 0.147 61.441 61.300 -0.010 0.000 1.350 295 I CB 1.155 38.906 38.000 -0.415 0.000 1.409 295 I HN 0.698 nan 8.210 nan 0.000 0.507 296 E N 3.213 123.366 120.200 -0.078 0.000 2.340 296 E HA 0.079 4.429 4.350 -0.000 0.000 0.198 296 E C 0.337 176.967 176.600 0.051 0.000 0.961 296 E CA 0.401 56.821 56.400 0.034 0.000 0.905 296 E CB 0.564 30.288 29.700 0.040 0.000 0.884 296 E HN 0.737 nan 8.360 nan 0.000 0.491 297 S N -0.429 115.208 115.700 -0.105 0.000 2.636 297 S HA 0.506 4.976 4.470 -0.000 0.000 0.268 297 S C -1.481 173.058 174.600 -0.101 0.000 1.159 297 S CA -1.055 57.161 58.200 0.027 0.000 0.815 297 S CB 1.336 64.590 63.200 0.090 0.000 1.130 297 S HN 0.016 nan 8.310 nan 0.000 0.471 298 L N 1.822 123.104 121.223 0.099 0.000 2.325 298 L HA 0.632 4.972 4.340 -0.000 0.000 0.281 298 L C -0.738 176.129 176.870 -0.006 0.000 1.004 298 L CA -0.197 54.657 54.840 0.024 0.000 0.823 298 L CB 1.100 43.210 42.059 0.085 0.000 1.236 298 L HN 0.995 nan 8.230 nan 0.000 0.415 299 H N 5.501 124.522 119.070 -0.083 0.000 2.723 299 H HA 0.594 5.150 4.556 -0.000 0.000 0.294 299 H C -0.430 174.842 175.328 -0.093 0.000 1.079 299 H CA -0.262 55.746 56.048 -0.067 0.000 1.411 299 H CB 0.620 30.348 29.762 -0.057 0.000 1.439 299 H HN 0.680 nan 8.280 nan 0.000 0.474 300 I N 1.654 121.994 120.570 -0.383 0.000 2.846 300 I HA 0.405 4.575 4.170 -0.000 0.000 0.307 300 I C -1.104 174.927 176.117 -0.144 0.000 1.053 300 I CA -1.022 60.135 61.300 -0.239 0.000 1.050 300 I CB 2.447 40.227 38.000 -0.368 0.000 1.239 300 I HN 0.656 nan 8.210 nan 0.000 0.439 301 H N 3.384 122.397 119.070 -0.095 0.000 2.860 301 H HA 0.215 4.771 4.556 -0.000 0.000 0.312 301 H C -1.410 173.942 175.328 0.040 0.000 0.995 301 H CA -0.687 55.347 56.048 -0.023 0.000 1.311 301 H CB 1.298 31.078 29.762 0.030 0.000 1.478 301 H HN 0.784 nan 8.280 nan 0.000 0.508 302 D N 5.547 125.964 120.400 0.029 0.000 2.358 302 D HA -0.022 4.618 4.640 -0.000 0.000 0.258 302 D C 1.089 177.250 176.300 -0.231 0.000 1.223 302 D CA -0.012 53.983 54.000 -0.010 0.000 0.886 302 D CB 0.983 41.899 40.800 0.193 0.000 1.120 302 D HN 0.689 nan 8.370 nan 0.000 0.482 303 L N 4.374 125.464 121.223 -0.222 0.000 2.313 303 L HA -0.115 4.225 4.340 -0.000 0.000 0.214 303 L C 2.003 178.826 176.870 -0.078 0.000 1.119 303 L CA 0.166 54.869 54.840 -0.228 0.000 0.809 303 L CB -0.042 41.967 42.059 -0.084 0.000 0.933 303 L HN 0.524 nan 8.230 nan 0.000 0.449 304 I N -0.496 120.063 120.570 -0.019 0.000 2.235 304 I HA -0.165 4.005 4.170 -0.000 0.000 0.241 304 I C 2.755 178.889 176.117 0.029 0.000 1.085 304 I CA 1.756 63.066 61.300 0.017 0.000 1.378 304 I CB -1.225 36.797 38.000 0.037 0.000 1.076 304 I HN 0.285 nan 8.210 nan 0.000 0.415 305 S N 0.293 116.022 115.700 0.047 0.000 2.425 305 S HA 0.107 4.577 4.470 -0.000 0.000 0.225 305 S C 1.820 176.457 174.600 0.062 0.000 1.024 305 S CA 0.904 59.143 58.200 0.066 0.000 0.951 305 S CB 0.111 63.378 63.200 0.111 0.000 0.796 305 S HN 0.604 nan 8.310 nan 0.000 0.498 306 G N 0.850 109.689 108.800 0.066 0.000 2.175 306 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.244 306 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.244 306 G C -0.424 174.584 174.900 0.181 0.000 0.982 306 G CA 0.105 45.299 45.100 0.156 0.000 0.641 306 G HN 0.555 nan 8.290 nan 0.000 0.527 307 D N 0.594 121.038 120.400 0.074 0.000 2.302 307 D HA 0.473 5.113 4.640 -0.000 0.000 0.248 307 D C 0.773 176.949 176.300 -0.205 0.000 1.094 307 D CA 0.097 54.005 54.000 -0.154 0.000 0.897 307 D CB 0.725 41.320 40.800 -0.342 0.000 1.200 307 D HN 0.325 nan 8.370 nan 0.000 0.429 308 R N 1.646 121.907 120.500 -0.399 0.000 2.445 308 R HA 0.515 4.855 4.340 -0.000 0.000 0.308 308 R C -0.730 175.216 176.300 -0.590 0.000 0.961 308 R CA -0.587 55.298 56.100 -0.359 0.000 0.862 308 R CB 1.080 31.264 30.300 -0.193 0.000 1.144 308 R HN 0.274 nan 8.270 nan 0.000 0.447 309 F N 0.248 120.009 119.950 -0.314 0.000 2.603 309 F HA 0.353 4.880 4.527 -0.000 0.000 0.317 309 F C 0.334 175.956 175.800 -0.298 0.000 1.066 309 F CA -0.959 56.903 58.000 -0.230 0.000 0.941 309 F CB 1.919 40.816 39.000 -0.171 0.000 1.291 309 F HN 0.189 nan 8.300 nan 0.000 0.472 310 E N 2.644 122.889 120.200 0.075 0.000 2.166 310 E HA 0.462 4.812 4.350 -0.000 0.000 0.275 310 E C -1.001 175.637 176.600 0.063 0.000 0.941 310 E CA -0.534 55.893 56.400 0.045 0.000 0.784 310 E CB 2.423 32.172 29.700 0.081 0.000 1.115 310 E HN 0.261 nan 8.360 nan 0.000 0.399 311 I N 2.246 122.844 120.570 0.046 0.000 2.474 311 I HA 0.326 4.496 4.170 -0.000 0.000 0.294 311 I C 0.106 176.341 176.117 0.197 0.000 1.005 311 I CA -0.810 60.548 61.300 0.096 0.000 1.113 311 I CB 1.600 39.610 38.000 0.015 0.000 1.289 311 I HN 0.355 nan 8.210 nan 0.000 0.436 312 K N 4.184 124.704 120.400 0.201 0.000 2.207 312 K HA 0.864 5.184 4.320 -0.000 0.000 0.255 312 K C -1.127 175.556 176.600 0.139 0.000 0.941 312 K CA -0.353 56.068 56.287 0.224 0.000 0.825 312 K CB 2.143 34.737 32.500 0.157 0.000 1.119 312 K HN 0.830 nan 8.250 nan 0.000 0.430 313 A N 2.559 125.376 122.820 -0.006 0.000 2.594 313 A HA 0.338 4.658 4.320 -0.000 0.000 0.291 313 A C -0.583 176.878 177.584 -0.205 0.000 1.105 313 A CA -0.705 51.181 52.037 -0.251 0.000 0.694 313 A CB 1.228 19.849 19.000 -0.632 0.000 1.291 313 A HN 0.818 nan 8.150 nan 0.000 0.410 314 D N -0.494 119.833 120.400 -0.122 0.000 2.149 314 D HA 0.105 4.745 4.640 -0.000 0.000 0.201 314 D C 0.314 176.517 176.300 -0.162 0.000 0.972 314 D CA 1.771 55.764 54.000 -0.013 0.000 0.835 314 D CB 0.172 41.016 40.800 0.073 0.000 0.966 314 D HN 0.228 nan 8.370 nan 0.000 0.476 315 V N 0.385 120.045 119.914 -0.423 0.000 2.686 315 V HA 0.274 4.394 4.120 -0.000 0.000 0.306 315 V C -1.333 174.483 176.094 -0.464 0.000 1.065 315 V CA -0.895 61.153 62.300 -0.419 0.000 0.894 315 V CB 1.987 33.427 31.823 -0.638 0.000 1.004 315 V HN -0.074 nan 8.190 nan 0.000 0.424 316 Y N 2.919 123.207 120.300 -0.020 0.000 2.328 316 Y HA 0.677 5.227 4.550 -0.000 0.000 0.337 316 Y C -0.050 175.816 175.900 -0.057 0.000 0.966 316 Y CA -0.856 57.221 58.100 -0.039 0.000 1.136 316 Y CB 2.044 40.484 38.460 -0.033 0.000 1.170 316 Y HN 0.353 nan 8.280 nan 0.000 0.470 317 V N 5.575 125.452 119.914 -0.062 0.000 2.448 317 V HA 0.402 4.522 4.120 -0.000 0.000 0.295 317 V C -0.404 175.561 176.094 -0.215 0.000 1.025 317 V CA -0.921 61.232 62.300 -0.246 0.000 0.859 317 V CB 1.711 33.167 31.823 -0.612 0.000 0.988 317 V HN 0.591 nan 8.190 nan 0.000 0.431 318 L N 5.168 126.259 121.223 -0.220 0.000 2.295 318 L HA 0.524 4.864 4.340 -0.000 0.000 0.281 318 L C 0.236 177.011 176.870 -0.158 0.000 1.018 318 L CA -0.214 54.522 54.840 -0.173 0.000 0.841 318 L CB 1.593 43.531 42.059 -0.201 0.000 1.218 318 L HN 0.801 nan 8.230 nan 0.000 0.424 319 T N -1.522 112.974 114.554 -0.097 0.000 3.532 319 T HA 0.376 4.726 4.350 -0.000 0.000 0.241 319 T C 0.667 175.379 174.700 0.021 0.000 1.238 319 T CA -0.224 61.864 62.100 -0.020 0.000 1.405 319 T CB 1.058 69.921 68.868 -0.010 0.000 0.971 319 T HN 0.523 nan 8.240 nan 0.000 0.640 320 A N 0.842 123.682 122.820 0.033 0.000 2.379 320 A HA 0.772 5.092 4.320 -0.000 0.000 0.236 320 A C 1.367 179.025 177.584 0.123 0.000 1.272 320 A CA 0.041 52.119 52.037 0.069 0.000 0.886 320 A CB -0.758 18.280 19.000 0.063 0.000 0.962 320 A HN 1.664 nan 8.150 nan 0.000 0.504 321 G N -2.411 106.460 108.800 0.119 0.000 2.699 321 G HA2 0.248 4.208 3.960 -0.000 0.000 0.686 321 G HA3 0.248 4.208 3.960 -0.000 0.000 0.686 321 G C 0.781 175.778 174.900 0.162 0.000 1.301 321 G CA -0.309 44.869 45.100 0.129 0.000 0.816 321 G HN 1.300 nan 8.290 nan 0.000 0.595 322 A N -0.461 122.440 122.820 0.134 0.000 1.933 322 A HA 0.199 4.519 4.320 -0.000 0.000 0.218 322 A C 2.634 180.303 177.584 0.141 0.000 1.175 322 A CA 3.274 55.384 52.037 0.123 0.000 0.628 322 A CB -0.345 18.703 19.000 0.080 0.000 0.814 322 A HN 1.591 nan 8.150 nan 0.000 0.444 323 V N -1.150 118.804 119.914 0.068 0.000 2.331 323 V HA -0.173 3.947 4.120 -0.000 0.000 0.242 323 V C 2.201 178.317 176.094 0.037 0.000 1.034 323 V CA 2.065 64.372 62.300 0.012 0.000 1.027 323 V CB -1.008 30.703 31.823 -0.185 0.000 0.667 323 V HN 0.730 nan 8.190 nan 0.000 0.457 324 H N -0.244 118.897 119.070 0.119 0.000 2.470 324 H HA -0.012 4.544 4.556 -0.000 0.000 0.289 324 H C 2.277 177.602 175.328 -0.005 0.000 1.033 324 H CA 0.852 56.928 56.048 0.047 0.000 1.331 324 H CB 0.134 29.902 29.762 0.010 0.000 1.414 324 H HN 0.317 nan 8.280 nan 0.000 0.545 325 N N -0.005 118.773 118.700 0.130 0.000 2.069 325 N HA -0.134 4.606 4.740 -0.000 0.000 0.191 325 N C 1.776 177.273 175.510 -0.020 0.000 1.031 325 N CA 1.886 54.944 53.050 0.013 0.000 0.852 325 N CB -0.541 37.946 38.487 0.001 0.000 1.018 325 N HN 0.328 nan 8.380 nan 0.000 0.423 326 T N 0.818 115.437 114.554 0.108 0.000 2.746 326 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 326 T C 1.842 176.408 174.700 -0.224 0.000 1.039 326 T CA 1.162 63.316 62.100 0.090 0.000 1.142 326 T CB -0.250 68.823 68.868 0.342 0.000 0.866 326 T HN 0.365 nan 8.240 nan 0.000 0.444 327 Q N 0.231 119.795 119.800 -0.393 0.000 2.061 327 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 327 Q C 2.322 178.044 176.000 -0.463 0.000 0.984 327 Q CA 1.325 56.568 55.803 -0.932 0.000 0.846 327 Q CB -0.286 28.242 28.738 -0.349 0.000 0.902 327 Q HN 0.381 nan 8.270 nan 0.000 0.421 328 L N 0.659 121.744 121.223 -0.231 0.000 1.994 328 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 328 L C 2.164 178.944 176.870 -0.149 0.000 1.071 328 L CA 1.650 56.394 54.840 -0.160 0.000 0.745 328 L CB -0.648 41.339 42.059 -0.119 0.000 0.892 328 L HN 0.329 nan 8.230 nan 0.000 0.431 329 L N -1.702 119.414 121.223 -0.178 0.000 2.013 329 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 329 L C 2.427 179.323 176.870 0.043 0.000 1.073 329 L CA 1.362 56.119 54.840 -0.139 0.000 0.753 329 L CB -0.805 41.074 42.059 -0.299 0.000 0.890 329 L HN 0.127 nan 8.230 nan 0.000 0.432 330 V N -0.250 119.614 119.914 -0.082 0.000 2.427 330 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 330 V C 2.062 178.127 176.094 -0.047 0.000 1.051 330 V CA 1.778 64.058 62.300 -0.033 0.000 1.048 330 V CB -0.673 31.096 31.823 -0.091 0.000 0.666 330 V HN 0.469 nan 8.190 nan 0.000 0.456 331 N N 0.023 118.651 118.700 -0.121 0.000 2.520 331 N HA -0.092 4.648 4.740 -0.000 0.000 0.185 331 N C 1.497 176.978 175.510 -0.049 0.000 1.068 331 N CA 1.010 54.010 53.050 -0.084 0.000 0.911 331 N CB -0.033 38.391 38.487 -0.106 0.000 0.961 331 N HN 0.359 nan 8.380 nan 0.000 0.446 332 S N -1.403 114.296 115.700 -0.001 0.000 2.557 332 S HA 0.304 4.774 4.470 -0.000 0.000 0.223 332 S C 0.971 175.549 174.600 -0.037 0.000 0.969 332 S CA 0.217 58.426 58.200 0.015 0.000 0.927 332 S CB 0.420 63.685 63.200 0.107 0.000 0.806 332 S HN 0.514 nan 8.310 nan 0.000 0.489 333 G N 1.301 110.083 108.800 -0.031 0.000 2.143 333 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 333 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 333 G C -0.071 174.730 174.900 -0.164 0.000 0.991 333 G CA -0.189 44.852 45.100 -0.099 0.000 0.689 333 G HN 0.429 nan 8.290 nan 0.000 0.522 334 F N 0.493 120.415 119.950 -0.047 0.000 2.378 334 F HA 0.596 5.123 4.527 -0.000 0.000 0.325 334 F C 1.592 177.401 175.800 0.016 0.000 1.097 334 F CA 0.681 58.669 58.000 -0.021 0.000 1.079 334 F CB 0.788 39.749 39.000 -0.065 0.000 1.240 334 F HN 0.728 nan 8.300 nan 0.000 0.519 335 G N 1.409 110.356 108.800 0.244 0.000 2.578 335 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.284 335 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.284 335 G C -0.775 174.200 174.900 0.125 0.000 1.283 335 G CA -0.012 45.196 45.100 0.179 0.000 0.944 335 G HN 0.835 nan 8.290 nan 0.000 0.558 336 Q N -1.139 118.739 119.800 0.130 0.000 2.337 336 Q HA 0.616 4.956 4.340 -0.000 0.000 0.270 336 Q C -0.834 175.248 176.000 0.135 0.000 1.043 336 Q CA -1.063 54.796 55.803 0.093 0.000 0.794 336 Q CB 1.630 30.404 28.738 0.059 0.000 1.281 336 Q HN 0.690 nan 8.270 nan 0.000 0.446 337 L N 3.154 124.445 121.223 0.114 0.000 2.417 337 L HA 0.692 5.032 4.340 -0.000 0.000 0.268 337 L C 0.488 177.435 176.870 0.128 0.000 1.158 337 L CA 2.054 56.986 54.840 0.153 0.000 0.819 337 L CB 0.859 42.982 42.059 0.106 0.000 1.112 337 L HN 0.856 nan 8.230 nan 0.000 0.458 338 G N 3.584 112.513 108.800 0.214 0.000 2.760 338 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.246 338 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.246 338 G C -0.367 174.424 174.900 -0.183 0.000 1.359 338 G CA -0.199 44.982 45.100 0.135 0.000 0.861 338 G HN 0.898 nan 8.290 nan 0.000 0.541 339 R N 0.685 120.846 120.500 -0.565 0.000 2.538 339 R HA 0.313 4.653 4.340 -0.000 0.000 0.282 339 R C -1.900 173.958 176.300 -0.736 0.000 1.009 339 R CA -0.383 54.962 56.100 -1.258 0.000 1.063 339 R CB -0.050 29.805 30.300 -0.742 0.000 0.945 339 R HN 0.354 nan 8.270 nan 0.000 0.414 340 P HA -0.082 nan 4.420 nan 0.000 0.262 340 P C -1.301 175.834 177.300 -0.275 0.000 1.182 340 P CA 0.619 63.472 63.100 -0.411 0.000 0.761 340 P CB 0.350 31.821 31.700 -0.382 0.000 0.795 341 N N 3.560 122.160 118.700 -0.167 0.000 2.581 341 N HA 0.195 4.935 4.740 -0.000 0.000 0.279 341 N C -1.937 173.530 175.510 -0.072 0.000 1.124 341 N CA -1.715 51.266 53.050 -0.115 0.000 0.833 341 N CB 1.298 39.724 38.487 -0.101 0.000 1.338 341 N HN 0.147 nan 8.380 nan 0.000 0.533 342 P HA -0.009 nan 4.420 nan 0.000 0.225 342 P C 0.887 178.171 177.300 -0.027 0.000 1.156 342 P CA 0.509 63.587 63.100 -0.037 0.000 0.787 342 P CB 0.212 31.890 31.700 -0.036 0.000 0.802 343 A N -0.520 122.281 122.820 -0.031 0.000 2.259 343 A HA -0.066 4.254 4.320 -0.000 0.000 0.212 343 A C 1.076 178.648 177.584 -0.020 0.000 1.178 343 A CA 0.711 52.734 52.037 -0.023 0.000 0.734 343 A CB -0.995 17.990 19.000 -0.025 0.000 0.774 343 A HN 0.168 nan 8.150 nan 0.000 0.481 344 N N 0.229 118.916 118.700 -0.021 0.000 2.716 344 N HA 0.204 4.944 4.740 -0.000 0.000 0.245 344 N C -3.343 172.162 175.510 -0.009 0.000 1.495 344 N CA -0.761 52.280 53.050 -0.016 0.000 0.759 344 N CB 1.381 39.856 38.487 -0.021 0.000 1.261 344 N HN 0.035 nan 8.380 nan 0.000 0.515 345 P HA 0.270 nan 4.420 nan 0.000 0.271 345 P C -2.464 174.847 177.300 0.018 0.000 1.218 345 P CA -0.750 62.356 63.100 0.011 0.000 0.780 345 P CB -0.059 31.650 31.700 0.015 0.000 0.901 346 P HA 0.152 nan 4.420 nan 0.000 0.274 346 P C 1.014 178.335 177.300 0.035 0.000 1.237 346 P CA -0.190 62.932 63.100 0.037 0.000 0.793 346 P CB 0.761 32.499 31.700 0.064 0.000 0.977 347 E N 0.053 120.266 120.200 0.021 0.000 2.038 347 E HA -0.106 4.243 4.350 -0.000 0.000 0.195 347 E C 0.128 176.754 176.600 0.043 0.000 1.000 347 E CA 1.133 57.543 56.400 0.016 0.000 0.803 347 E CB -0.002 29.691 29.700 -0.012 0.000 0.750 347 E HN 0.365 nan 8.360 nan 0.000 0.448 348 L N 0.495 121.755 121.223 0.061 0.000 2.365 348 L HA 0.281 4.621 4.340 -0.000 0.000 0.273 348 L C -0.037 176.958 176.870 0.208 0.000 1.000 348 L CA -0.773 54.146 54.840 0.130 0.000 0.819 348 L CB 2.004 44.102 42.059 0.064 0.000 1.284 348 L HN 0.114 nan 8.230 nan 0.000 0.418 349 L N 3.334 124.705 121.223 0.247 0.000 3.823 349 L HA -0.173 4.167 4.340 -0.000 0.000 0.525 349 L C -1.431 175.554 176.870 0.191 0.000 1.247 349 L CA -0.399 54.586 54.840 0.243 0.000 0.776 349 L CB -0.719 41.518 42.059 0.296 0.000 1.443 349 L HN 0.612 nan 8.230 nan 0.000 0.831 350 P HA -0.083 nan 4.420 nan 0.000 0.230 350 P C 1.155 178.551 177.300 0.161 0.000 1.158 350 P CA 0.820 63.999 63.100 0.132 0.000 0.769 350 P CB 0.372 32.131 31.700 0.098 0.000 0.807 351 S N -0.516 115.297 115.700 0.188 0.000 2.575 351 S HA 0.076 4.546 4.470 -0.000 0.000 0.215 351 S C 0.799 175.557 174.600 0.264 0.000 0.966 351 S CA -0.407 57.947 58.200 0.258 0.000 0.911 351 S CB -0.649 62.691 63.200 0.234 0.000 0.780 351 S HN 0.071 nan 8.310 nan 0.000 0.514 352 L N 2.423 123.780 121.223 0.223 0.000 2.513 352 L HA 0.385 4.725 4.340 -0.000 0.000 0.272 352 L C 1.159 178.173 176.870 0.239 0.000 1.187 352 L CA 1.128 56.103 54.840 0.224 0.000 0.895 352 L CB -0.431 41.750 42.059 0.203 0.000 1.147 352 L HN 0.342 nan 8.230 nan 0.000 0.483 353 G N 2.388 111.339 108.800 0.252 0.000 2.162 353 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 353 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 353 G C 0.410 175.439 174.900 0.215 0.000 0.976 353 G CA 0.307 45.556 45.100 0.249 0.000 0.655 353 G HN 0.834 nan 8.290 nan 0.000 0.533 354 S N -1.795 114.040 115.700 0.225 0.000 2.689 354 S HA 0.664 5.134 4.470 -0.000 0.000 0.306 354 S C 0.340 175.085 174.600 0.241 0.000 1.104 354 S CA 0.049 58.326 58.200 0.129 0.000 0.973 354 S CB 0.953 64.171 63.200 0.031 0.000 1.121 354 S HN 0.942 nan 8.310 nan 0.000 0.523 355 Y N -0.854 119.516 120.300 0.115 0.000 4.177 355 Y HA -0.209 4.341 4.550 -0.000 0.000 0.227 355 Y C 0.499 176.484 175.900 0.142 0.000 1.154 355 Y CA 0.304 58.471 58.100 0.111 0.000 1.887 355 Y CB -2.189 36.332 38.460 0.102 0.000 1.594 355 Y HN 0.612 nan 8.280 nan 0.000 0.668 356 I N -0.021 120.702 120.570 0.256 0.000 2.696 356 I HA 0.471 4.641 4.170 -0.000 0.000 0.284 356 I C 0.672 176.971 176.117 0.302 0.000 1.129 356 I CA 0.438 61.897 61.300 0.266 0.000 1.410 356 I CB 1.256 39.416 38.000 0.267 0.000 1.399 356 I HN 0.197 nan 8.210 nan 0.000 0.579 357 T N 1.836 116.535 114.554 0.243 0.000 2.876 357 T HA 0.667 5.017 4.350 -0.000 0.000 0.289 357 T C -0.655 174.098 174.700 0.089 0.000 1.014 357 T CA -0.701 61.536 62.100 0.229 0.000 0.986 357 T CB 2.039 70.987 68.868 0.132 0.000 1.021 357 T HN 0.814 nan 8.240 nan 0.000 0.458 358 E N 1.231 121.454 120.200 0.038 0.000 2.314 358 E HA 0.358 4.708 4.350 -0.000 0.000 0.272 358 E C -0.973 175.730 176.600 0.170 0.000 0.884 358 E CA -0.592 55.765 56.400 -0.072 0.000 0.753 358 E CB 1.999 31.412 29.700 -0.479 0.000 1.213 358 E HN 0.707 nan 8.360 nan 0.000 0.432 359 Q N 1.089 120.995 119.800 0.178 0.000 2.340 359 Q HA 0.407 4.747 4.340 -0.000 0.000 0.249 359 Q C -0.387 175.803 176.000 0.316 0.000 0.957 359 Q CA -0.320 55.637 55.803 0.256 0.000 0.882 359 Q CB 1.173 30.088 28.738 0.296 0.000 1.235 359 Q HN 0.446 nan 8.270 nan 0.000 0.439 360 S N 1.359 117.177 115.700 0.197 0.000 2.564 360 S HA 0.344 4.814 4.470 -0.000 0.000 0.278 360 S C -0.767 173.859 174.600 0.044 0.000 1.333 360 S CA -0.462 57.723 58.200 -0.026 0.000 1.048 360 S CB 0.352 63.444 63.200 -0.179 0.000 0.900 360 S HN 0.363 nan 8.310 nan 0.000 0.505 361 L N 5.069 126.287 121.223 -0.009 0.000 2.409 361 L HA 0.720 5.060 4.340 -0.000 0.000 0.272 361 L C -0.832 175.872 176.870 -0.278 0.000 0.980 361 L CA -0.640 54.087 54.840 -0.188 0.000 0.826 361 L CB 1.613 43.551 42.059 -0.202 0.000 1.268 361 L HN 0.451 nan 8.230 nan 0.000 0.407 362 V N 2.000 121.672 119.914 -0.404 0.000 2.815 362 V HA 0.770 4.890 4.120 -0.000 0.000 0.314 362 V C -0.983 174.960 176.094 -0.251 0.000 1.064 362 V CA -0.690 61.303 62.300 -0.511 0.000 0.952 362 V CB 1.694 33.032 31.823 -0.808 0.000 1.020 362 V HN 0.826 nan 8.190 nan 0.000 0.439 363 F N 4.332 124.062 119.950 -0.367 0.000 2.608 363 F HA 0.859 5.386 4.527 -0.000 0.000 0.309 363 F C -0.450 175.208 175.800 -0.238 0.000 1.103 363 F CA -0.306 57.557 58.000 -0.228 0.000 0.954 363 F CB 1.426 40.331 39.000 -0.158 0.000 1.267 363 F HN 1.205 nan 8.300 nan 0.000 0.444 364 C N 2.928 121.539 119.300 -1.148 0.000 3.332 364 C HA 0.836 5.296 4.460 -0.000 0.000 0.329 364 C C -1.628 172.781 174.990 -0.970 0.000 1.434 364 C CA -0.642 57.700 59.018 -1.126 0.000 1.314 364 C CB 1.704 29.031 27.740 -0.689 0.000 1.664 364 C HN 0.979 nan 8.230 nan 0.000 0.457 365 Q N 0.514 119.989 119.800 -0.542 0.000 2.399 365 Q HA 0.788 5.128 4.340 -0.000 0.000 0.276 365 Q C -0.483 175.538 176.000 0.034 0.000 1.098 365 Q CA -0.281 55.431 55.803 -0.152 0.000 0.827 365 Q CB 2.680 31.322 28.738 -0.159 0.000 1.386 365 Q HN 0.941 nan 8.270 nan 0.000 0.443 366 T N -2.682 111.968 114.554 0.159 0.000 2.916 366 T HA 0.719 5.069 4.350 -0.000 0.000 0.292 366 T C -0.641 174.110 174.700 0.086 0.000 1.064 366 T CA -0.735 61.426 62.100 0.102 0.000 1.011 366 T CB 1.243 70.181 68.868 0.118 0.000 1.152 366 T HN 0.266 nan 8.240 nan 0.000 0.510 367 V N 2.242 122.175 119.914 0.031 0.000 2.409 367 V HA 0.417 4.537 4.120 -0.000 0.000 0.291 367 V C 0.220 176.320 176.094 0.011 0.000 1.020 367 V CA -0.915 61.397 62.300 0.020 0.000 0.848 367 V CB 1.250 33.074 31.823 0.002 0.000 0.990 367 V HN 1.015 nan 8.190 nan 0.000 0.430 368 M N 4.666 124.280 119.600 0.024 0.000 2.248 368 M HA 0.073 4.553 4.480 -0.000 0.000 0.343 368 M C 0.884 177.186 176.300 0.003 0.000 1.243 368 M CA 0.736 56.051 55.300 0.025 0.000 1.025 368 M CB 0.580 33.193 32.600 0.022 0.000 1.759 368 M HN 0.930 nan 8.290 nan 0.000 0.452 369 S N 2.451 118.150 115.700 -0.002 0.000 2.568 369 S HA 0.074 4.544 4.470 -0.000 0.000 0.282 369 S C 1.039 175.636 174.600 -0.004 0.000 1.338 369 S CA -0.162 58.028 58.200 -0.017 0.000 1.045 369 S CB 0.559 63.744 63.200 -0.024 0.000 0.873 369 S HN 0.799 nan 8.310 nan 0.000 0.516 370 T N 1.923 116.472 114.554 -0.009 0.000 2.699 370 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 370 T C 1.645 176.349 174.700 0.007 0.000 1.036 370 T CA 1.930 64.030 62.100 -0.001 0.000 1.147 370 T CB -0.468 68.396 68.868 -0.006 0.000 0.862 370 T HN 0.765 nan 8.240 nan 0.000 0.446 371 E N 0.507 120.708 120.200 0.001 0.000 2.077 371 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 371 E C 2.275 178.890 176.600 0.025 0.000 0.989 371 E CA 0.852 57.257 56.400 0.007 0.000 0.800 371 E CB -0.251 29.446 29.700 -0.004 0.000 0.746 371 E HN 0.426 nan 8.360 nan 0.000 0.452 372 L N 0.674 121.913 121.223 0.027 0.000 2.093 372 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 372 L C 2.379 179.286 176.870 0.061 0.000 1.085 372 L CA 0.418 55.289 54.840 0.051 0.000 0.755 372 L CB -0.163 41.925 42.059 0.049 0.000 0.904 372 L HN 0.191 nan 8.230 nan 0.000 0.435 373 I N -0.115 120.478 120.570 0.039 0.000 2.252 373 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 373 I C 2.133 178.279 176.117 0.048 0.000 1.102 373 I CA 1.412 62.731 61.300 0.032 0.000 1.385 373 I CB -1.075 36.934 38.000 0.015 0.000 1.064 373 I HN 0.258 nan 8.210 nan 0.000 0.414 374 D N 0.592 121.020 120.400 0.046 0.000 2.144 374 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 374 D C 2.338 178.686 176.300 0.080 0.000 0.984 374 D CA 1.634 55.666 54.000 0.053 0.000 0.834 374 D CB -0.120 40.703 40.800 0.038 0.000 0.955 374 D HN 0.362 nan 8.370 nan 0.000 0.465 375 S N -0.025 115.731 115.700 0.094 0.000 2.469 375 S HA -0.101 4.369 4.470 -0.000 0.000 0.238 375 S C 2.131 176.877 174.600 0.243 0.000 0.998 375 S CA 0.561 58.848 58.200 0.146 0.000 0.957 375 S CB -0.474 62.806 63.200 0.134 0.000 0.764 375 S HN 0.073 nan 8.310 nan 0.000 0.514 376 V N 2.852 122.883 119.914 0.194 0.000 2.469 376 V HA -0.164 3.956 4.120 -0.000 0.000 0.251 376 V C 2.197 178.428 176.094 0.229 0.000 1.064 376 V CA 2.121 64.560 62.300 0.232 0.000 1.066 376 V CB -0.785 31.085 31.823 0.079 0.000 0.667 376 V HN 0.826 nan 8.190 nan 0.000 0.461 377 K N 0.124 120.618 120.400 0.157 0.000 2.514 377 K HA 0.189 4.509 4.320 -0.000 0.000 0.207 377 K C 1.620 178.286 176.600 0.109 0.000 1.035 377 K CA 0.681 57.044 56.287 0.127 0.000 1.113 377 K CB 0.245 32.801 32.500 0.094 0.000 0.846 377 K HN 0.393 nan 8.250 nan 0.000 0.491 378 S N 1.094 116.874 115.700 0.134 0.000 2.402 378 S HA -0.201 4.269 4.470 -0.000 0.000 0.233 378 S C 0.987 175.601 174.600 0.024 0.000 1.030 378 S CA 1.543 59.783 58.200 0.067 0.000 1.003 378 S CB -0.308 62.916 63.200 0.040 0.000 0.813 378 S HN 0.339 nan 8.310 nan 0.000 0.477 379 D N 0.663 121.086 120.400 0.038 0.000 2.339 379 D HA 0.238 4.878 4.640 -0.000 0.000 0.217 379 D C 0.213 176.550 176.300 0.062 0.000 1.050 379 D CA 0.235 54.242 54.000 0.011 0.000 0.856 379 D CB -0.029 40.751 40.800 -0.034 0.000 0.922 379 D HN 0.379 nan 8.370 nan 0.000 0.518 380 M N 0.407 120.046 119.600 0.065 0.000 2.250 380 M HA 0.237 4.717 4.480 -0.000 0.000 0.344 380 M C 0.351 176.678 176.300 0.045 0.000 1.150 380 M CA 0.092 55.438 55.300 0.076 0.000 1.147 380 M CB 0.977 33.617 32.600 0.067 0.000 1.498 380 M HN -0.326 nan 8.290 nan 0.000 0.461 381 T N 3.596 118.169 114.554 0.032 0.000 2.797 381 T HA 0.735 5.085 4.350 -0.000 0.000 0.279 381 T C -0.235 174.444 174.700 -0.035 0.000 0.991 381 T CA -0.387 61.713 62.100 0.000 0.000 0.979 381 T CB 0.966 69.831 68.868 -0.006 0.000 0.943 381 T HN 0.408 nan 8.240 nan 0.000 0.444 382 I N 2.784 123.332 120.570 -0.035 0.000 2.433 382 I HA 0.465 4.635 4.170 -0.000 0.000 0.292 382 I C 0.280 176.364 176.117 -0.055 0.000 1.001 382 I CA -0.675 60.576 61.300 -0.083 0.000 1.119 382 I CB 1.714 39.692 38.000 -0.037 0.000 1.289 382 I HN 0.261 nan 8.210 nan 0.000 0.438 383 R N 4.065 124.504 120.500 -0.101 0.000 2.343 383 R HA 0.691 5.031 4.340 -0.000 0.000 0.320 383 R C 0.221 176.538 176.300 0.029 0.000 0.956 383 R CA -0.216 55.863 56.100 -0.035 0.000 0.836 383 R CB 1.709 31.978 30.300 -0.051 0.000 1.151 383 R HN 0.941 nan 8.270 nan 0.000 0.450 384 G N 1.741 110.593 108.800 0.086 0.000 2.584 384 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.229 384 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.229 384 G C -0.796 174.245 174.900 0.235 0.000 1.320 384 G CA -0.552 44.635 45.100 0.145 0.000 0.891 384 G HN 0.512 nan 8.290 nan 0.000 0.573 385 T N 2.479 117.158 114.554 0.209 0.000 2.863 385 T HA 0.646 4.996 4.350 -0.000 0.000 0.285 385 T C -2.736 171.833 174.700 -0.218 0.000 1.009 385 T CA -0.809 61.333 62.100 0.071 0.000 0.989 385 T CB 2.238 71.109 68.868 0.004 0.000 1.004 385 T HN 0.511 nan 8.240 nan 0.000 0.455 386 P HA 0.129 nan 4.420 nan 0.000 0.259 386 P C 1.104 178.110 177.300 -0.490 0.000 1.163 386 P CA 1.539 64.005 63.100 -1.058 0.000 0.760 386 P CB 0.108 31.457 31.700 -0.585 0.000 0.762 387 G N 1.885 110.437 108.800 -0.414 0.000 2.258 387 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.233 387 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.233 387 G C 0.042 174.898 174.900 -0.074 0.000 1.006 387 G CA -0.406 44.593 45.100 -0.169 0.000 0.620 387 G HN 0.559 nan 8.290 nan 0.000 0.511 388 E N 0.805 120.975 120.200 -0.049 0.000 2.383 388 E HA 0.363 4.713 4.350 -0.000 0.000 0.264 388 E C 1.454 178.089 176.600 0.059 0.000 1.050 388 E CA -0.217 56.194 56.400 0.020 0.000 0.896 388 E CB 1.469 31.196 29.700 0.045 0.000 0.982 388 E HN 0.292 nan 8.360 nan 0.000 0.424 389 L N 2.988 124.236 121.223 0.042 0.000 2.129 389 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 389 L C 1.910 178.816 176.870 0.061 0.000 1.087 389 L CA 2.556 57.422 54.840 0.043 0.000 0.757 389 L CB -0.606 41.469 42.059 0.026 0.000 0.896 389 L HN 0.746 nan 8.230 nan 0.000 0.434 390 T N -4.058 110.538 114.554 0.071 0.000 3.134 390 T HA 0.074 4.424 4.350 -0.000 0.000 0.260 390 T C 0.404 175.160 174.700 0.095 0.000 1.027 390 T CA -0.489 61.649 62.100 0.063 0.000 0.913 390 T CB -0.901 67.989 68.868 0.036 0.000 1.046 390 T HN 0.221 nan 8.240 nan 0.000 0.553 391 Y N 2.636 122.934 120.300 -0.003 0.000 2.802 391 Y HA 0.369 4.919 4.550 -0.000 0.000 0.333 391 Y C -0.149 175.751 175.900 -0.000 0.000 1.244 391 Y CA -0.074 58.025 58.100 -0.001 0.000 1.558 391 Y CB 0.043 38.502 38.460 -0.003 0.000 1.233 391 Y HN 0.175 nan 8.280 nan 0.000 0.547 392 S N 4.616 120.068 115.700 -0.414 0.000 2.538 392 S HA 0.696 5.166 4.470 -0.000 0.000 0.288 392 S C -1.487 172.818 174.600 -0.491 0.000 1.108 392 S CA -0.792 57.177 58.200 -0.387 0.000 0.971 392 S CB 1.557 64.660 63.200 -0.161 0.000 1.041 392 S HN 0.459 nan 8.310 nan 0.000 0.483 393 V N 3.550 123.250 119.914 -0.355 0.000 2.444 393 V HA 0.742 4.862 4.120 -0.000 0.000 0.294 393 V C 0.012 176.072 176.094 -0.057 0.000 1.022 393 V CA -0.533 61.642 62.300 -0.207 0.000 0.850 393 V CB 1.370 33.099 31.823 -0.157 0.000 0.992 393 V HN 1.032 nan 8.190 nan 0.000 0.426 394 T N 1.678 116.226 114.554 -0.011 0.000 2.864 394 T HA 0.868 5.218 4.350 -0.000 0.000 0.299 394 T C -1.078 173.704 174.700 0.137 0.000 1.166 394 T CA -0.777 61.339 62.100 0.027 0.000 1.007 394 T CB 2.327 71.159 68.868 -0.061 0.000 1.219 394 T HN 0.782 nan 8.240 nan 0.000 0.506 395 Y N -1.914 118.374 120.300 -0.020 0.000 2.615 395 Y HA 0.758 5.308 4.550 -0.000 0.000 0.341 395 Y C -0.671 175.218 175.900 -0.019 0.000 1.089 395 Y CA -1.372 56.717 58.100 -0.018 0.000 1.049 395 Y CB 0.681 39.137 38.460 -0.008 0.000 1.296 395 Y HN 0.646 nan 8.280 nan 0.000 0.470 396 T N 4.408 118.962 114.554 -0.000 0.000 2.723 396 T HA 0.345 4.695 4.350 -0.000 0.000 0.297 396 T C -2.675 172.037 174.700 0.019 0.000 0.925 396 T CA -1.118 60.935 62.100 -0.079 0.000 1.030 396 T CB 0.370 69.223 68.868 -0.025 0.000 0.905 396 T HN 0.356 nan 8.240 nan 0.000 0.502 397 P HA 0.167 nan 4.420 nan 0.000 0.266 397 P C 1.077 178.422 177.300 0.076 0.000 1.195 397 P CA 0.409 63.560 63.100 0.085 0.000 0.768 397 P CB 0.287 31.976 31.700 -0.018 0.000 0.838 398 G N 2.063 110.925 108.800 0.103 0.000 2.337 398 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.290 398 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.290 398 G C 0.528 175.442 174.900 0.024 0.000 1.003 398 G CA 0.185 45.315 45.100 0.050 0.000 0.825 398 G HN 0.857 nan 8.290 nan 0.000 0.509 399 A N 0.003 122.839 122.820 0.027 0.000 2.498 399 A HA 0.629 4.949 4.320 -0.000 0.000 0.239 399 A C 1.841 179.413 177.584 -0.020 0.000 1.068 399 A CA 1.106 53.144 52.037 0.002 0.000 0.766 399 A CB 0.274 19.277 19.000 0.005 0.000 1.003 399 A HN 1.722 nan 8.150 nan 0.000 0.497 400 S N 1.321 117.006 115.700 -0.025 0.000 2.382 400 S HA -0.190 4.280 4.470 -0.000 0.000 0.228 400 S C 1.495 176.063 174.600 -0.054 0.000 1.027 400 S CA 1.912 60.091 58.200 -0.035 0.000 0.991 400 S CB -0.993 62.191 63.200 -0.028 0.000 0.823 400 S HN 1.374 nan 8.310 nan 0.000 0.469 401 T N -0.941 113.581 114.554 -0.054 0.000 3.129 401 T HA 0.231 4.581 4.350 -0.000 0.000 0.251 401 T C 0.324 174.962 174.700 -0.103 0.000 1.117 401 T CA -0.469 61.589 62.100 -0.071 0.000 1.034 401 T CB -0.646 68.189 68.868 -0.055 0.000 0.968 401 T HN 0.184 nan 8.240 nan 0.000 0.526 402 N N 2.339 120.973 118.700 -0.109 0.000 2.513 402 N HA 0.192 4.932 4.740 -0.000 0.000 0.268 402 N C 0.972 176.310 175.510 -0.287 0.000 1.180 402 N CA -0.219 52.732 53.050 -0.165 0.000 0.948 402 N CB 1.114 39.529 38.487 -0.121 0.000 1.083 402 N HN 0.338 nan 8.380 nan 0.000 0.455 403 K N 1.226 121.347 120.400 -0.466 0.000 2.418 403 K HA 0.021 4.341 4.320 -0.000 0.000 0.195 403 K C -0.172 175.803 176.600 -1.042 0.000 1.035 403 K CA 0.708 56.554 56.287 -0.735 0.000 1.003 403 K CB 0.109 32.068 32.500 -0.902 0.000 0.793 403 K HN 0.551 nan 8.250 nan 0.000 0.494 404 H N 0.265 119.009 119.070 -0.544 0.000 2.768 404 H HA 0.294 4.850 4.556 -0.000 0.000 0.371 404 H C -2.528 172.453 175.328 -0.577 0.000 1.151 404 H CA -2.653 52.901 56.048 -0.823 0.000 1.165 404 H CB 1.568 30.406 29.762 -1.539 0.000 1.722 404 H HN -0.128 nan 8.280 nan 0.000 0.543 405 P HA 0.002 nan 4.420 nan 0.000 0.272 405 P C 0.320 177.375 177.300 -0.408 0.000 1.230 405 P CA -0.208 62.670 63.100 -0.369 0.000 0.788 405 P CB 1.383 32.846 31.700 -0.395 0.000 0.949 406 D N 0.837 121.142 120.400 -0.159 0.000 2.133 406 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 406 D C 1.934 178.218 176.300 -0.028 0.000 0.997 406 D CA 1.444 55.427 54.000 -0.028 0.000 0.840 406 D CB -0.592 40.302 40.800 0.157 0.000 0.947 406 D HN 0.626 nan 8.370 nan 0.000 0.452 407 W N 0.271 121.636 121.300 0.109 0.000 2.350 407 W HA -0.152 4.508 4.660 -0.000 0.000 0.289 407 W C 1.946 178.544 176.519 0.133 0.000 1.215 407 W CA 0.271 57.681 57.345 0.108 0.000 1.236 407 W CB -1.328 28.190 29.460 0.097 0.000 1.130 407 W HN 0.095 nan 8.180 nan 0.000 0.541 408 W N 3.408 124.187 121.300 -0.868 0.000 2.408 408 W HA -0.117 4.543 4.660 -0.000 0.000 0.311 408 W C 1.863 178.117 176.519 -0.443 0.000 1.190 408 W CA 1.485 58.355 57.345 -0.791 0.000 1.321 408 W CB -1.088 27.653 29.460 -1.199 0.000 1.143 408 W HN -0.155 nan 8.180 nan 0.000 0.501 409 N N 1.151 119.759 118.700 -0.153 0.000 2.149 409 N HA -0.213 4.527 4.740 -0.000 0.000 0.188 409 N C 1.503 176.753 175.510 -0.434 0.000 1.019 409 N CA 2.007 54.759 53.050 -0.496 0.000 0.857 409 N CB -0.627 37.107 38.487 -1.255 0.000 0.997 409 N HN 0.244 nan 8.380 nan 0.000 0.426 410 E N 1.298 121.391 120.200 -0.178 0.000 2.047 410 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 410 E C 1.591 178.256 176.600 0.107 0.000 0.987 410 E CA 1.339 57.816 56.400 0.128 0.000 0.799 410 E CB 0.041 29.872 29.700 0.217 0.000 0.752 410 E HN 0.268 nan 8.360 nan 0.000 0.449 411 K N -0.519 119.930 120.400 0.081 0.000 2.097 411 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 411 K C 2.106 178.725 176.600 0.033 0.000 1.050 411 K CA 1.250 57.576 56.287 0.066 0.000 0.938 411 K CB -0.050 32.482 32.500 0.053 0.000 0.718 411 K HN 0.018 nan 8.250 nan 0.000 0.442 412 V N 2.133 122.039 119.914 -0.014 0.000 2.270 412 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 412 V C 2.408 178.552 176.094 0.083 0.000 1.043 412 V CA 1.659 63.963 62.300 0.006 0.000 1.014 412 V CB -0.469 31.352 31.823 -0.002 0.000 0.645 412 V HN 0.353 nan 8.190 nan 0.000 0.447 413 K N 0.398 120.846 120.400 0.081 0.000 2.059 413 K HA -0.306 4.014 4.320 -0.000 0.000 0.212 413 K C 1.942 178.606 176.600 0.106 0.000 1.050 413 K CA 2.401 58.760 56.287 0.120 0.000 0.927 413 K CB -0.378 32.255 32.500 0.222 0.000 0.714 413 K HN 0.431 nan 8.250 nan 0.000 0.447 414 N N 0.274 119.042 118.700 0.114 0.000 2.106 414 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 414 N C 1.824 177.395 175.510 0.102 0.000 1.029 414 N CA 1.473 54.582 53.050 0.099 0.000 0.848 414 N CB -0.710 37.841 38.487 0.107 0.000 1.007 414 N HN 0.457 nan 8.380 nan 0.000 0.423 415 H N 0.733 119.830 119.070 0.045 0.000 2.319 415 H HA 0.052 4.608 4.556 -0.000 0.000 0.299 415 H C 2.074 177.441 175.328 0.065 0.000 1.092 415 H CA 1.854 57.934 56.048 0.053 0.000 1.302 415 H CB -0.146 29.566 29.762 -0.083 0.000 1.373 415 H HN 0.115 nan 8.280 nan 0.000 0.497 416 M N -0.877 118.714 119.600 -0.014 0.000 2.213 416 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 416 M C 1.724 178.061 176.300 0.062 0.000 1.062 416 M CA 1.218 56.520 55.300 0.003 0.000 1.105 416 M CB 0.046 32.712 32.600 0.110 0.000 1.385 416 M HN 0.358 nan 8.290 nan 0.000 0.417 417 M N -0.804 118.822 119.600 0.042 0.000 2.334 417 M HA -0.050 4.430 4.480 -0.000 0.000 0.266 417 M C 1.921 178.207 176.300 -0.023 0.000 1.082 417 M CA 1.236 56.572 55.300 0.059 0.000 1.141 417 M CB -0.802 31.817 32.600 0.031 0.000 1.380 417 M HN 0.226 nan 8.290 nan 0.000 0.440 418 Q N -0.431 119.295 119.800 -0.123 0.000 2.302 418 Q HA 0.024 4.364 4.340 -0.000 0.000 0.202 418 Q C 0.149 175.817 176.000 -0.553 0.000 0.936 418 Q CA 0.900 56.518 55.803 -0.308 0.000 0.886 418 Q CB 0.404 28.939 28.738 -0.339 0.000 0.986 418 Q HN 0.552 nan 8.270 nan 0.000 0.487 419 H N 0.358 119.339 119.070 -0.149 0.000 2.423 419 H HA 0.264 4.820 4.556 -0.000 0.000 0.237 419 H C 0.217 175.459 175.328 -0.144 0.000 1.391 419 H CA -0.096 55.877 56.048 -0.126 0.000 1.453 419 H CB 0.616 30.285 29.762 -0.155 0.000 1.484 419 H HN 0.189 nan 8.280 nan 0.000 0.505 420 Q N 0.787 120.569 119.800 -0.029 0.000 2.435 420 Q HA -0.084 4.256 4.340 -0.000 0.000 0.207 420 Q C 1.742 177.696 176.000 -0.077 0.000 0.956 420 Q CA 0.554 56.307 55.803 -0.083 0.000 0.917 420 Q CB 0.516 29.176 28.738 -0.130 0.000 0.997 420 Q HN 0.540 nan 8.270 nan 0.000 0.497 421 E N 0.824 121.023 120.200 -0.001 0.000 2.435 421 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 421 E C -0.346 176.284 176.600 0.050 0.000 1.029 421 E CA 0.414 56.824 56.400 0.016 0.000 0.865 421 E CB -0.027 29.701 29.700 0.046 0.000 0.833 421 E HN 0.147 nan 8.360 nan 0.000 0.510 422 D N 2.251 122.694 120.400 0.072 0.000 2.277 422 D HA 0.107 4.747 4.640 -0.000 0.000 0.249 422 D C -1.440 174.903 176.300 0.070 0.000 1.134 422 D CA -1.942 52.126 54.000 0.113 0.000 0.863 422 D CB 1.508 42.412 40.800 0.173 0.000 1.143 422 D HN -0.153 nan 8.370 nan 0.000 0.458 423 P HA 0.076 nan 4.420 nan 0.000 0.249 423 P C -0.200 177.137 177.300 0.061 0.000 1.229 423 P CA 0.211 63.343 63.100 0.054 0.000 0.788 423 P CB 0.420 32.146 31.700 0.043 0.000 1.072 424 L N 1.956 123.227 121.223 0.080 0.000 2.325 424 L HA 0.359 4.699 4.340 -0.000 0.000 0.278 424 L C -1.393 175.518 176.870 0.068 0.000 1.023 424 L CA -2.265 52.600 54.840 0.042 0.000 0.811 424 L CB 2.625 44.681 42.059 -0.006 0.000 1.249 424 L HN -0.285 nan 8.230 nan 0.000 0.431 425 P HA 0.071 nan 4.420 nan 0.000 0.249 425 P C 0.228 177.430 177.300 -0.164 0.000 1.229 425 P CA 0.487 63.612 63.100 0.042 0.000 0.788 425 P CB 0.386 32.106 31.700 0.034 0.000 1.072 426 I N 2.168 122.544 120.570 -0.323 0.000 2.371 426 I HA 0.213 4.383 4.170 -0.000 0.000 0.290 426 I C -2.133 173.488 176.117 -0.827 0.000 1.028 426 I CA -2.734 58.299 61.300 -0.445 0.000 1.345 426 I CB 0.700 38.520 38.000 -0.299 0.000 1.407 426 I HN -0.239 nan 8.210 nan 0.000 0.501 427 P HA -0.004 nan 4.420 nan 0.000 0.267 427 P C 0.330 177.343 177.300 -0.477 0.000 1.200 427 P CA -0.010 62.660 63.100 -0.716 0.000 0.772 427 P CB 0.370 31.929 31.700 -0.235 0.000 0.855 428 F N 0.796 120.596 119.950 -0.250 0.000 2.161 428 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 428 F C 1.744 177.492 175.800 -0.086 0.000 1.089 428 F CA 1.615 59.527 58.000 -0.146 0.000 1.282 428 F CB -0.846 38.088 39.000 -0.109 0.000 1.010 428 F HN 0.409 nan 8.300 nan 0.000 0.485 429 E N -0.298 119.978 120.200 0.127 0.000 2.419 429 E HA -0.007 4.343 4.350 -0.000 0.000 0.190 429 E C -0.219 176.398 176.600 0.028 0.000 1.040 429 E CA -0.233 56.214 56.400 0.080 0.000 0.900 429 E CB -0.229 29.523 29.700 0.086 0.000 1.054 429 E HN 0.183 nan 8.360 nan 0.000 0.462 430 D N 2.770 123.163 120.400 -0.013 0.000 2.472 430 D HA -0.002 4.638 4.640 -0.000 0.000 0.248 430 D C -2.263 174.050 176.300 0.022 0.000 1.174 430 D CA -1.227 52.754 54.000 -0.031 0.000 0.883 430 D CB 0.754 41.495 40.800 -0.098 0.000 1.149 430 D HN -0.099 nan 8.370 nan 0.000 0.488 431 P HA 0.068 nan 4.420 nan 0.000 0.273 431 P C -0.473 176.946 177.300 0.200 0.000 1.250 431 P CA -0.359 62.832 63.100 0.151 0.000 0.793 431 P CB 0.395 32.181 31.700 0.143 0.000 1.011 432 E N 1.350 121.698 120.200 0.247 0.000 2.404 432 E HA 0.114 4.464 4.350 -0.000 0.000 0.261 432 E C -2.137 174.504 176.600 0.069 0.000 1.074 432 E CA -1.556 54.907 56.400 0.105 0.000 0.917 432 E CB -1.011 28.708 29.700 0.030 0.000 0.965 432 E HN 0.336 nan 8.360 nan 0.000 0.433 433 P HA 0.067 nan 4.420 nan 0.000 0.274 433 P C -0.409 176.897 177.300 0.010 0.000 1.231 433 P CA -0.060 63.113 63.100 0.121 0.000 0.790 433 P CB 0.577 32.295 31.700 0.030 0.000 0.951 434 Q N 1.049 120.960 119.800 0.186 0.000 3.394 434 Q HA 0.319 4.659 4.340 -0.000 0.000 0.285 434 Q C -1.040 175.052 176.000 0.155 0.000 0.866 434 Q CA -0.318 55.462 55.803 -0.039 0.000 0.844 434 Q CB 1.231 29.689 28.738 -0.467 0.000 1.472 434 Q HN 0.188 nan 8.270 nan 0.000 0.401 435 V N 0.576 120.531 119.914 0.069 0.000 2.581 435 V HA 0.733 4.853 4.120 -0.000 0.000 0.303 435 V C 0.095 176.198 176.094 0.013 0.000 1.041 435 V CA -0.444 61.895 62.300 0.066 0.000 0.907 435 V CB 2.116 33.918 31.823 -0.035 0.000 0.994 435 V HN 0.443 nan 8.190 nan 0.000 0.442 436 T N 1.657 116.246 114.554 0.057 0.000 2.916 436 T HA 0.480 4.830 4.350 -0.000 0.000 0.305 436 T C -0.887 173.746 174.700 -0.111 0.000 1.119 436 T CA -0.321 61.752 62.100 -0.044 0.000 1.008 436 T CB 1.837 70.661 68.868 -0.073 0.000 1.129 436 T HN 0.830 nan 8.240 nan 0.000 0.480 437 T N 4.776 119.103 114.554 -0.378 0.000 2.756 437 T HA 0.605 4.955 4.350 -0.000 0.000 0.290 437 T C -0.026 174.515 174.700 -0.265 0.000 0.985 437 T CA -0.620 61.096 62.100 -0.640 0.000 0.955 437 T CB -0.198 67.787 68.868 -1.470 0.000 0.930 437 T HN 0.523 nan 8.240 nan 0.000 0.451 438 L N 4.519 125.671 121.223 -0.118 0.000 2.452 438 L HA 0.392 4.732 4.340 -0.000 0.000 0.267 438 L C 0.766 177.629 176.870 -0.011 0.000 1.188 438 L CA -0.963 53.892 54.840 0.025 0.000 0.821 438 L CB 0.170 42.246 42.059 0.028 0.000 1.102 438 L HN 0.626 nan 8.230 nan 0.000 0.470 439 F N 2.809 122.678 119.950 -0.136 0.000 2.604 439 F HA -0.086 4.441 4.527 -0.000 0.000 0.390 439 F C 0.193 175.727 175.800 -0.445 0.000 1.053 439 F CA 0.597 58.425 58.000 -0.286 0.000 1.256 439 F CB 0.086 38.972 39.000 -0.189 0.000 0.996 439 F HN 0.393 nan 8.300 nan 0.000 0.564 440 Q N 6.692 125.921 119.800 -0.952 0.000 2.456 440 Q HA 0.264 4.604 4.340 -0.000 0.000 0.284 440 Q C -2.018 173.472 176.000 -0.850 0.000 1.061 440 Q CA -1.764 53.590 55.803 -0.748 0.000 0.799 440 Q CB 1.459 29.665 28.738 -0.887 0.000 1.445 440 Q HN 0.236 nan 8.270 nan 0.000 0.411 441 P HA -0.182 nan 4.420 nan 0.000 0.216 441 P C 1.137 178.196 177.300 -0.401 0.000 1.150 441 P CA 1.885 64.784 63.100 -0.335 0.000 0.843 441 P CB 0.239 31.851 31.700 -0.146 0.000 0.787 442 S N -1.561 113.906 115.700 -0.389 0.000 2.527 442 S HA -0.084 4.386 4.470 -0.000 0.000 0.222 442 S C 0.536 174.913 174.600 -0.372 0.000 0.985 442 S CA 0.023 58.066 58.200 -0.262 0.000 0.921 442 S CB -1.248 61.904 63.200 -0.079 0.000 0.772 442 S HN 0.427 nan 8.310 nan 0.000 0.529 443 H N -0.950 117.637 119.070 -0.804 0.000 2.538 443 H HA 0.477 5.033 4.556 -0.000 0.000 0.239 443 H C -3.193 170.951 175.328 -1.974 0.000 1.401 443 H CA -1.885 53.263 56.048 -1.499 0.000 1.499 443 H CB 0.528 29.700 29.762 -0.983 0.000 1.624 443 H HN 0.070 nan 8.280 nan 0.000 0.524 444 P HA 0.067 nan 4.420 nan 0.000 0.226 444 P C -1.286 175.519 177.300 -0.825 0.000 1.783 444 P CA 0.198 62.219 63.100 -1.799 0.000 0.980 444 P CB -1.030 30.130 31.700 -0.900 0.000 1.967 445 W N -0.077 120.972 121.300 -0.417 0.000 3.213 445 W HA 0.499 5.159 4.660 -0.000 0.000 0.318 445 W C -0.835 175.774 176.519 0.150 0.000 1.248 445 W CA -1.257 56.129 57.345 0.069 0.000 1.187 445 W CB 0.040 29.535 29.460 0.058 0.000 1.403 445 W HN 0.013 nan 8.180 nan 0.000 0.556 446 H N 1.130 120.451 119.070 0.418 0.000 2.547 446 H HA 0.719 5.275 4.556 -0.000 0.000 0.362 446 H C -0.110 175.366 175.328 0.246 0.000 1.181 446 H CA 0.665 56.859 56.048 0.242 0.000 1.376 446 H CB 1.459 31.307 29.762 0.143 0.000 1.488 446 H HN 0.588 nan 8.280 nan 0.000 0.583 447 T N 1.808 116.041 114.554 -0.535 0.000 2.909 447 T HA 0.505 4.855 4.350 -0.000 0.000 0.299 447 T C -0.904 173.500 174.700 -0.492 0.000 1.073 447 T CA -1.130 60.681 62.100 -0.482 0.000 0.999 447 T CB 1.743 70.175 68.868 -0.728 0.000 1.098 447 T HN 0.669 nan 8.240 nan 0.000 0.477 448 Q N 1.485 121.213 119.800 -0.120 0.000 2.305 448 Q HA 0.581 4.921 4.340 -0.000 0.000 0.271 448 Q C -1.327 174.606 176.000 -0.113 0.000 1.046 448 Q CA -0.694 54.955 55.803 -0.258 0.000 0.798 448 Q CB 2.806 31.261 28.738 -0.472 0.000 1.286 448 Q HN 0.723 nan 8.270 nan 0.000 0.435 449 I N 3.516 123.972 120.570 -0.189 0.000 2.563 449 I HA 0.335 4.505 4.170 -0.000 0.000 0.276 449 I C -0.527 175.486 176.117 -0.174 0.000 1.074 449 I CA -0.235 60.831 61.300 -0.389 0.000 1.124 449 I CB 0.530 38.175 38.000 -0.591 0.000 1.225 449 I HN 0.754 nan 8.210 nan 0.000 0.482 450 H N 3.502 122.394 119.070 -0.297 0.000 3.054 450 H HA 0.682 5.238 4.556 -0.000 0.000 0.271 450 H C -1.166 174.090 175.328 -0.120 0.000 1.551 450 H CA -1.351 54.591 56.048 -0.176 0.000 1.196 450 H CB 1.468 31.147 29.762 -0.138 0.000 1.867 450 H HN 0.081 nan 8.280 nan 0.000 0.637 451 R N 1.282 121.612 120.500 -0.283 0.000 2.538 451 R HA 0.265 4.605 4.340 -0.000 0.000 0.292 451 R C -1.629 174.460 176.300 -0.353 0.000 1.008 451 R CA -0.649 55.267 56.100 -0.307 0.000 0.896 451 R CB 1.809 32.055 30.300 -0.091 0.000 1.187 451 R HN 0.864 nan 8.270 nan 0.000 0.440 452 D N 0.704 120.891 120.400 -0.356 0.000 2.467 452 D HA 0.496 5.136 4.640 -0.000 0.000 0.245 452 D C -0.236 176.060 176.300 -0.008 0.000 1.038 452 D CA -0.888 53.007 54.000 -0.175 0.000 1.038 452 D CB 0.475 41.183 40.800 -0.153 0.000 1.278 452 D HN 0.415 nan 8.370 nan 0.000 0.564 453 A N -0.319 122.514 122.820 0.021 0.000 2.565 453 A HA 0.364 4.684 4.320 -0.000 0.000 0.237 453 A C -0.775 176.892 177.584 0.138 0.000 1.053 453 A CA 0.278 52.378 52.037 0.104 0.000 0.755 453 A CB -0.687 18.389 19.000 0.127 0.000 0.980 453 A HN 0.476 nan 8.150 nan 0.000 0.506 454 F N 1.593 121.510 119.950 -0.056 0.000 2.608 454 F HA 0.475 5.002 4.527 -0.000 0.000 0.309 454 F C 0.149 175.811 175.800 -0.230 0.000 1.103 454 F CA -0.265 57.590 58.000 -0.242 0.000 0.954 454 F CB 2.010 40.724 39.000 -0.477 0.000 1.267 454 F HN 0.575 nan 8.300 nan 0.000 0.444 455 S N 4.144 119.331 115.700 -0.855 0.000 2.409 455 S HA 0.447 4.917 4.470 -0.000 0.000 0.308 455 S C -1.112 173.199 174.600 -0.482 0.000 1.080 455 S CA -0.433 57.480 58.200 -0.479 0.000 1.081 455 S CB -0.300 62.678 63.200 -0.371 0.000 1.009 455 S HN 0.472 nan 8.310 nan 0.000 0.502 456 Y N 2.209 122.549 120.300 0.066 0.000 2.304 456 Y HA 0.503 5.053 4.550 -0.000 0.000 0.328 456 Y C 1.498 177.454 175.900 0.094 0.000 1.123 456 Y CA 0.095 58.325 58.100 0.218 0.000 1.218 456 Y CB 0.601 39.206 38.460 0.241 0.000 1.207 456 Y HN 0.876 nan 8.280 nan 0.000 0.495 457 G N 1.000 109.947 108.800 0.244 0.000 2.664 457 G HA2 0.244 4.204 3.960 -0.000 0.000 0.242 457 G HA3 0.244 4.204 3.960 -0.000 0.000 0.242 457 G C 0.923 175.910 174.900 0.146 0.000 1.225 457 G CA -0.026 45.162 45.100 0.146 0.000 0.849 457 G HN 0.927 nan 8.290 nan 0.000 0.581 458 A N 0.569 123.444 122.820 0.092 0.000 1.917 458 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 458 A C 2.546 180.173 177.584 0.072 0.000 1.182 458 A CA 2.103 54.183 52.037 0.073 0.000 0.633 458 A CB -0.558 18.471 19.000 0.049 0.000 0.819 458 A HN 0.565 nan 8.150 nan 0.000 0.448 459 V N -0.269 119.691 119.914 0.076 0.000 2.323 459 V HA -0.281 3.839 4.120 -0.000 0.000 0.244 459 V C 2.613 178.756 176.094 0.082 0.000 1.041 459 V CA 2.122 64.463 62.300 0.068 0.000 1.025 459 V CB -0.880 30.979 31.823 0.061 0.000 0.656 459 V HN 0.652 nan 8.190 nan 0.000 0.451 460 Q N -0.332 119.547 119.800 0.131 0.000 2.152 460 Q HA -0.297 4.043 4.340 -0.000 0.000 0.206 460 Q C 2.197 178.243 176.000 0.076 0.000 0.985 460 Q CA 1.704 57.605 55.803 0.164 0.000 0.863 460 Q CB -0.266 28.683 28.738 0.351 0.000 0.904 460 Q HN 0.683 nan 8.270 nan 0.000 0.422 461 Q N -0.194 119.654 119.800 0.081 0.000 2.508 461 Q HA -0.098 4.242 4.340 -0.000 0.000 0.214 461 Q C 1.921 177.916 176.000 -0.009 0.000 0.979 461 Q CA 0.689 56.496 55.803 0.007 0.000 0.911 461 Q CB -0.047 28.719 28.738 0.048 0.000 0.969 461 Q HN 0.166 nan 8.270 nan 0.000 0.504 462 S N -0.112 115.595 115.700 0.011 0.000 2.453 462 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 462 S C 0.766 175.361 174.600 -0.009 0.000 1.005 462 S CA 0.185 58.388 58.200 0.006 0.000 0.949 462 S CB 0.246 63.457 63.200 0.018 0.000 0.774 462 S HN 0.153 nan 8.310 nan 0.000 0.510 463 I N 2.850 123.404 120.570 -0.026 0.000 2.342 463 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 463 I C 0.371 176.447 176.117 -0.069 0.000 1.010 463 I CA -0.860 60.418 61.300 -0.037 0.000 1.308 463 I CB 0.747 38.729 38.000 -0.031 0.000 1.400 463 I HN 0.172 nan 8.210 nan 0.000 0.488 464 D N 4.332 124.708 120.400 -0.039 0.000 2.487 464 D HA -0.059 4.581 4.640 -0.000 0.000 0.243 464 D C 1.179 177.439 176.300 -0.066 0.000 1.154 464 D CA 0.174 54.154 54.000 -0.033 0.000 0.876 464 D CB 1.178 41.983 40.800 0.007 0.000 1.161 464 D HN 0.651 nan 8.370 nan 0.000 0.478 465 S N 4.279 119.927 115.700 -0.087 0.000 2.419 465 S HA -0.174 4.296 4.470 -0.000 0.000 0.233 465 S C 1.692 176.259 174.600 -0.055 0.000 1.016 465 S CA 0.536 58.665 58.200 -0.119 0.000 0.974 465 S CB -0.039 63.092 63.200 -0.115 0.000 0.786 465 S HN 0.551 nan 8.310 nan 0.000 0.492 466 R N 0.800 121.285 120.500 -0.024 0.000 2.193 466 R HA 0.159 4.499 4.340 -0.000 0.000 0.229 466 R C 1.838 178.121 176.300 -0.028 0.000 1.110 466 R CA 1.076 57.160 56.100 -0.026 0.000 0.988 466 R CB -0.557 29.720 30.300 -0.039 0.000 0.871 466 R HN 0.446 nan 8.270 nan 0.000 0.458 467 L N 0.293 121.501 121.223 -0.025 0.000 2.395 467 L HA 0.077 4.417 4.340 -0.000 0.000 0.218 467 L C 0.731 177.602 176.870 0.002 0.000 1.130 467 L CA 0.338 55.170 54.840 -0.013 0.000 0.826 467 L CB 0.052 42.104 42.059 -0.012 0.000 0.941 467 L HN 0.079 nan 8.230 nan 0.000 0.451 468 I N -0.126 120.439 120.570 -0.008 0.000 2.385 468 I HA 0.259 4.429 4.170 -0.000 0.000 0.294 468 I C -0.612 175.523 176.117 0.030 0.000 0.988 468 I CA -0.434 60.877 61.300 0.017 0.000 1.265 468 I CB 1.978 39.973 38.000 -0.008 0.000 1.388 468 I HN -0.317 nan 8.210 nan 0.000 0.480 469 V N 4.664 124.618 119.914 0.068 0.000 2.638 469 V HA 0.323 4.443 4.120 -0.000 0.000 0.306 469 V C -0.866 175.239 176.094 0.017 0.000 1.052 469 V CA -0.857 61.450 62.300 0.012 0.000 0.885 469 V CB 2.092 33.926 31.823 0.017 0.000 0.999 469 V HN 0.579 nan 8.190 nan 0.000 0.424 470 D N 2.580 122.915 120.400 -0.109 0.000 2.210 470 D HA 0.455 5.095 4.640 -0.000 0.000 0.249 470 D C -0.963 175.250 176.300 -0.145 0.000 1.062 470 D CA 0.131 54.100 54.000 -0.050 0.000 0.891 470 D CB 1.276 42.036 40.800 -0.066 0.000 1.186 470 D HN 0.435 nan 8.370 nan 0.000 0.432 471 W N 1.356 122.626 121.300 -0.050 0.000 2.600 471 W HA 0.466 5.126 4.660 -0.000 0.000 0.325 471 W C 0.208 176.765 176.519 0.063 0.000 1.034 471 W CA -0.842 56.513 57.345 0.017 0.000 1.226 471 W CB 1.311 30.650 29.460 -0.202 0.000 1.379 471 W HN -0.071 nan 8.180 nan 0.000 0.466 472 R N 2.952 123.697 120.500 0.407 0.000 2.502 472 R HA 0.482 4.822 4.340 -0.000 0.000 0.298 472 R C -1.600 174.923 176.300 0.371 0.000 1.018 472 R CA -0.863 55.374 56.100 0.227 0.000 0.899 472 R CB 1.632 32.049 30.300 0.194 0.000 1.181 472 R HN 0.174 nan 8.270 nan 0.000 0.444 473 F N 3.161 122.974 119.950 -0.228 0.000 2.458 473 F HA 0.488 5.015 4.527 -0.000 0.000 0.336 473 F C -0.311 175.360 175.800 -0.216 0.000 1.114 473 F CA -1.543 56.407 58.000 -0.083 0.000 0.987 473 F CB 1.012 39.916 39.000 -0.160 0.000 1.130 473 F HN 0.301 nan 8.300 nan 0.000 0.458 474 F N 1.470 121.595 119.950 0.293 0.000 2.426 474 F HA 0.655 5.182 4.527 -0.000 0.000 0.348 474 F C 0.689 176.680 175.800 0.317 0.000 1.124 474 F CA -1.134 57.038 58.000 0.286 0.000 1.008 474 F CB 1.378 40.599 39.000 0.368 0.000 1.139 474 F HN 0.512 nan 8.300 nan 0.000 0.452 475 G N 2.308 111.331 108.800 0.372 0.000 2.462 475 G HA2 0.641 4.601 3.960 -0.000 0.000 0.319 475 G HA3 0.641 4.601 3.960 -0.000 0.000 0.319 475 G C -0.837 174.236 174.900 0.289 0.000 1.171 475 G CA -1.072 44.239 45.100 0.351 0.000 0.920 475 G HN 0.697 nan 8.290 nan 0.000 0.499 476 R N -0.746 119.919 120.500 0.274 0.000 2.486 476 R HA 0.670 5.010 4.340 -0.000 0.000 0.286 476 R C -1.034 175.355 176.300 0.149 0.000 0.999 476 R CA -0.594 55.586 56.100 0.134 0.000 0.993 476 R CB 1.330 31.713 30.300 0.137 0.000 1.084 476 R HN 0.275 nan 8.270 nan 0.000 0.487 477 T N 1.694 116.308 114.554 0.099 0.000 2.792 477 T HA 0.122 4.472 4.350 -0.000 0.000 0.280 477 T C -0.715 174.066 174.700 0.135 0.000 0.990 477 T CA -0.616 61.598 62.100 0.190 0.000 0.960 477 T CB 1.405 70.461 68.868 0.313 0.000 0.939 477 T HN 0.626 nan 8.240 nan 0.000 0.439 478 E N 3.934 124.217 120.200 0.137 0.000 2.415 478 E HA 0.091 4.441 4.350 -0.000 0.000 0.263 478 E C -2.255 174.427 176.600 0.136 0.000 0.995 478 E CA -1.522 54.950 56.400 0.120 0.000 0.915 478 E CB 0.469 30.230 29.700 0.103 0.000 0.951 478 E HN 0.193 nan 8.360 nan 0.000 0.449 479 P HA 0.075 nan 4.420 nan 0.000 0.271 479 P C -1.236 176.226 177.300 0.271 0.000 1.233 479 P CA 0.186 63.434 63.100 0.247 0.000 0.764 479 P CB 0.578 32.450 31.700 0.285 0.000 0.825 480 K N 2.668 123.152 120.400 0.141 0.000 2.371 480 K HA 0.183 4.503 4.320 -0.000 0.000 0.251 480 K C 0.900 177.303 176.600 -0.329 0.000 0.934 480 K CA -0.684 55.601 56.287 -0.003 0.000 0.798 480 K CB 2.196 34.661 32.500 -0.058 0.000 1.204 480 K HN 0.426 nan 8.250 nan 0.000 0.427 481 E N 2.063 121.893 120.200 -0.618 0.000 2.153 481 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 481 E C 1.019 177.359 176.600 -0.433 0.000 0.988 481 E CA 1.333 57.138 56.400 -0.992 0.000 0.811 481 E CB 0.486 29.808 29.700 -0.629 0.000 0.746 481 E HN 0.553 nan 8.360 nan 0.000 0.466 482 E N 0.405 120.454 120.200 -0.252 0.000 2.347 482 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 482 E C 0.008 176.540 176.600 -0.113 0.000 1.008 482 E CA 0.317 56.627 56.400 -0.150 0.000 0.852 482 E CB -0.299 29.330 29.700 -0.118 0.000 0.783 482 E HN 0.064 nan 8.360 nan 0.000 0.505 483 N N 2.155 120.772 118.700 -0.138 0.000 2.401 483 N HA 0.157 4.897 4.740 -0.000 0.000 0.255 483 N C -0.683 174.880 175.510 0.089 0.000 1.110 483 N CA 0.236 53.256 53.050 -0.051 0.000 0.949 483 N CB 0.982 39.398 38.487 -0.119 0.000 1.110 483 N HN 0.140 nan 8.380 nan 0.000 0.490 484 K N 1.096 121.609 120.400 0.187 0.000 2.477 484 K HA 0.470 4.790 4.320 -0.000 0.000 0.255 484 K C -1.159 175.596 176.600 0.258 0.000 0.952 484 K CA -0.957 55.464 56.287 0.222 0.000 0.826 484 K CB 2.382 35.023 32.500 0.236 0.000 1.331 484 K HN 0.160 nan 8.250 nan 0.000 0.437 485 L N 3.623 124.941 121.223 0.158 0.000 2.319 485 L HA 0.559 4.899 4.340 -0.000 0.000 0.281 485 L C -1.245 175.544 176.870 -0.136 0.000 1.005 485 L CA -0.100 54.655 54.840 -0.141 0.000 0.828 485 L CB 0.512 42.495 42.059 -0.125 0.000 1.227 485 L HN 0.717 nan 8.230 nan 0.000 0.415 486 W N 3.550 124.568 121.300 -0.470 0.000 2.967 486 W HA 0.679 5.339 4.660 -0.000 0.000 0.342 486 W C -2.090 174.006 176.519 -0.706 0.000 1.162 486 W CA -1.202 55.926 57.345 -0.361 0.000 1.085 486 W CB 0.941 30.336 29.460 -0.107 0.000 1.460 486 W HN 0.340 nan 8.180 nan 0.000 0.584 487 F N 1.301 121.458 119.950 0.345 0.000 2.547 487 F HA 0.321 4.848 4.527 -0.000 0.000 0.316 487 F C 0.701 176.669 175.800 0.280 0.000 1.121 487 F CA -0.927 57.149 58.000 0.127 0.000 0.911 487 F CB 2.135 41.184 39.000 0.081 0.000 1.179 487 F HN 0.247 nan 8.300 nan 0.000 0.443 488 S N 1.104 116.965 115.700 0.268 0.000 2.560 488 S HA 0.047 4.517 4.470 -0.000 0.000 0.284 488 S C 0.716 175.462 174.600 0.243 0.000 1.327 488 S CA -0.416 57.960 58.200 0.295 0.000 1.055 488 S CB 0.330 63.615 63.200 0.141 0.000 0.868 488 S HN 0.695 nan 8.310 nan 0.000 0.506 489 D N 2.951 123.480 120.400 0.214 0.000 2.339 489 D HA 0.128 4.767 4.640 -0.000 0.000 0.217 489 D C 0.992 177.351 176.300 0.099 0.000 1.050 489 D CA 0.352 54.433 54.000 0.135 0.000 0.856 489 D CB 0.218 41.080 40.800 0.103 0.000 0.922 489 D HN 0.403 nan 8.370 nan 0.000 0.518 490 K N -0.210 120.253 120.400 0.106 0.000 2.412 490 K HA 0.143 4.463 4.320 -0.000 0.000 0.201 490 K C 0.180 176.822 176.600 0.070 0.000 1.275 490 K CA -0.081 56.253 56.287 0.077 0.000 0.910 490 K CB 0.900 33.444 32.500 0.073 0.000 1.346 490 K HN -0.001 nan 8.250 nan 0.000 0.490 491 I N 3.206 123.822 120.570 0.076 0.000 2.581 491 I HA 0.107 4.277 4.170 -0.000 0.000 0.288 491 I C 0.607 176.760 176.117 0.061 0.000 1.047 491 I CA 0.074 61.409 61.300 0.057 0.000 1.374 491 I CB 0.996 39.021 38.000 0.041 0.000 1.423 491 I HN 0.186 nan 8.210 nan 0.000 0.549 492 T N 0.890 115.475 114.554 0.052 0.000 2.916 492 T HA 0.584 4.934 4.350 -0.000 0.000 0.292 492 T C -0.441 174.294 174.700 0.058 0.000 1.055 492 T CA -0.938 61.199 62.100 0.061 0.000 1.009 492 T CB 2.362 71.260 68.868 0.051 0.000 1.118 492 T HN 0.546 nan 8.240 nan 0.000 0.497 493 D N 0.876 121.327 120.400 0.085 0.000 2.478 493 D HA 0.475 5.115 4.640 -0.000 0.000 0.274 493 D C 1.581 177.923 176.300 0.071 0.000 1.234 493 D CA -0.461 53.598 54.000 0.098 0.000 1.069 493 D CB -0.004 40.895 40.800 0.164 0.000 1.113 493 D HN 0.662 nan 8.370 nan 0.000 0.571 494 A N -1.406 121.450 122.820 0.060 0.000 2.172 494 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 494 A C 1.081 178.489 177.584 -0.294 0.000 1.154 494 A CA 0.811 52.780 52.037 -0.113 0.000 0.701 494 A CB -0.931 17.965 19.000 -0.172 0.000 0.789 494 A HN 0.549 nan 8.150 nan 0.000 0.465 495 Y N -1.145 119.172 120.300 0.028 0.000 2.607 495 Y HA 0.215 4.765 4.550 -0.000 0.000 0.266 495 Y C 0.653 176.575 175.900 0.037 0.000 1.178 495 Y CA -0.279 57.841 58.100 0.032 0.000 1.226 495 Y CB -0.258 38.203 38.460 0.002 0.000 1.144 495 Y HN 0.436 nan 8.280 nan 0.000 0.528 496 N N -0.307 118.453 118.700 0.100 0.000 2.714 496 N HA -0.184 4.556 4.740 -0.000 0.000 0.250 496 N C -0.615 174.938 175.510 0.072 0.000 1.117 496 N CA 0.740 53.831 53.050 0.067 0.000 0.719 496 N CB -0.528 37.981 38.487 0.037 0.000 1.081 496 N HN 0.179 nan 8.380 nan 0.000 0.557 497 M N -0.379 119.281 119.600 0.100 0.000 2.528 497 M HA 0.420 4.900 4.480 -0.000 0.000 0.318 497 M C -2.104 174.250 176.300 0.090 0.000 1.195 497 M CA -1.958 53.385 55.300 0.072 0.000 1.000 497 M CB 0.490 33.125 32.600 0.059 0.000 1.615 497 M HN -0.287 nan 8.290 nan 0.000 0.469 498 P HA -0.014 nan 4.420 nan 0.000 0.262 498 P C -0.611 176.836 177.300 0.246 0.000 1.182 498 P CA 0.117 63.305 63.100 0.148 0.000 0.761 498 P CB 0.213 32.001 31.700 0.147 0.000 0.795 499 Q N 6.935 126.833 119.800 0.162 0.000 2.286 499 Q HA 0.163 4.503 4.340 -0.000 0.000 0.267 499 Q C -2.248 173.739 176.000 -0.023 0.000 1.028 499 Q CA -2.052 53.798 55.803 0.079 0.000 0.901 499 Q CB -0.263 28.474 28.738 -0.003 0.000 1.183 499 Q HN 0.289 nan 8.270 nan 0.000 0.392 500 P HA 0.080 nan 4.420 nan 0.000 0.268 500 P C -1.027 175.790 177.300 -0.805 0.000 1.205 500 P CA -0.044 62.662 63.100 -0.657 0.000 0.771 500 P CB 0.917 32.321 31.700 -0.494 0.000 0.858 501 T N 3.180 117.020 114.554 -1.190 0.000 2.921 501 T HA 0.486 4.836 4.350 -0.000 0.000 0.297 501 T C -0.623 173.372 174.700 -1.176 0.000 1.013 501 T CA -0.111 61.273 62.100 -1.194 0.000 0.990 501 T CB 0.442 68.228 68.868 -1.803 0.000 1.023 501 T HN 0.044 nan 8.240 nan 0.000 0.447 502 F N 2.076 121.721 119.950 -0.507 0.000 2.397 502 F HA 0.542 5.069 4.527 -0.000 0.000 0.331 502 F C 0.619 176.354 175.800 -0.108 0.000 1.090 502 F CA -0.939 56.900 58.000 -0.268 0.000 1.065 502 F CB 1.178 40.076 39.000 -0.170 0.000 1.184 502 F HN 0.394 nan 8.300 nan 0.000 0.499 503 D N 3.341 123.910 120.400 0.282 0.000 2.389 503 D HA 0.244 4.884 4.640 -0.000 0.000 0.256 503 D C -1.817 174.611 176.300 0.215 0.000 1.239 503 D CA -0.106 54.047 54.000 0.255 0.000 0.925 503 D CB 0.411 41.404 40.800 0.323 0.000 1.145 503 D HN 0.281 nan 8.370 nan 0.000 0.542 504 F N 3.433 123.374 119.950 -0.016 0.000 2.588 504 F HA 0.583 5.110 4.527 -0.000 0.000 0.314 504 F C -1.338 174.349 175.800 -0.189 0.000 1.134 504 F CA -0.576 57.347 58.000 -0.128 0.000 0.961 504 F CB 1.358 40.221 39.000 -0.229 0.000 1.239 504 F HN 0.045 nan 8.300 nan 0.000 0.448 505 R N 4.203 124.164 120.500 -0.899 0.000 2.698 505 R HA 0.371 4.711 4.340 -0.000 0.000 0.275 505 R C -1.628 174.055 176.300 -1.029 0.000 1.001 505 R CA -0.976 54.735 56.100 -0.649 0.000 0.896 505 R CB 1.688 31.816 30.300 -0.287 0.000 1.218 505 R HN 0.581 nan 8.270 nan 0.000 0.462 506 F N 2.820 122.586 119.950 -0.308 0.000 2.578 506 F HA 0.161 4.688 4.527 -0.000 0.000 0.381 506 F C -1.282 174.402 175.800 -0.192 0.000 1.069 506 F CA -1.019 56.873 58.000 -0.181 0.000 1.231 506 F CB -0.187 38.815 39.000 0.004 0.000 1.086 506 F HN 0.130 nan 8.300 nan 0.000 0.564 507 P HA 0.152 nan 4.420 nan 0.000 0.268 507 P C -0.526 176.791 177.300 0.027 0.000 1.205 507 P CA -0.224 62.859 63.100 -0.029 0.000 0.771 507 P CB 0.566 32.263 31.700 -0.006 0.000 0.858 508 A N 2.728 125.550 122.820 0.004 0.000 2.409 508 A HA 0.510 4.830 4.320 -0.000 0.000 0.246 508 A C 1.192 178.792 177.584 0.027 0.000 1.099 508 A CA 0.791 52.836 52.037 0.013 0.000 0.789 508 A CB -1.125 17.875 19.000 0.000 0.000 1.053 508 A HN 0.836 nan 8.150 nan 0.000 0.503 509 G N -0.105 108.712 108.800 0.028 0.000 2.498 509 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.251 509 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.251 509 G C 1.084 176.015 174.900 0.053 0.000 1.170 509 G CA 0.887 46.009 45.100 0.037 0.000 0.944 509 G HN 1.062 nan 8.290 nan 0.000 0.567 510 R N -0.204 120.334 120.500 0.063 0.000 2.091 510 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 510 R C 2.832 179.192 176.300 0.099 0.000 1.136 510 R CA 2.736 58.884 56.100 0.080 0.000 0.959 510 R CB -0.917 29.432 30.300 0.083 0.000 0.856 510 R HN 0.636 nan 8.270 nan 0.000 0.437 511 T N 0.075 114.692 114.554 0.104 0.000 2.684 511 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 511 T C 1.932 176.687 174.700 0.093 0.000 1.036 511 T CA 1.862 64.039 62.100 0.128 0.000 1.148 511 T CB -0.182 68.782 68.868 0.160 0.000 0.863 511 T HN 0.287 nan 8.240 nan 0.000 0.436 512 S N 0.667 116.406 115.700 0.065 0.000 2.357 512 S HA -0.046 4.424 4.470 -0.000 0.000 0.221 512 S C 2.024 176.636 174.600 0.021 0.000 1.031 512 S CA 1.086 59.295 58.200 0.015 0.000 0.982 512 S CB -0.227 62.977 63.200 0.006 0.000 0.853 512 S HN 0.540 nan 8.310 nan 0.000 0.458 513 K N 1.440 121.868 120.400 0.047 0.000 2.032 513 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 513 K C 1.905 178.561 176.600 0.093 0.000 1.048 513 K CA 1.658 57.981 56.287 0.060 0.000 0.927 513 K CB -0.156 32.385 32.500 0.068 0.000 0.712 513 K HN 0.360 nan 8.250 nan 0.000 0.441 514 E N -0.143 120.136 120.200 0.132 0.000 2.106 514 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 514 E C 2.021 178.708 176.600 0.145 0.000 0.984 514 E CA 0.876 57.409 56.400 0.221 0.000 0.806 514 E CB -0.115 29.747 29.700 0.270 0.000 0.750 514 E HN 0.485 nan 8.360 nan 0.000 0.458 515 A N 1.440 124.317 122.820 0.095 0.000 1.883 515 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 515 A C 2.087 179.747 177.584 0.127 0.000 1.186 515 A CA 1.944 54.035 52.037 0.091 0.000 0.624 515 A CB -0.432 18.578 19.000 0.017 0.000 0.822 515 A HN 0.160 nan 8.150 nan 0.000 0.444 516 E N 0.330 120.584 120.200 0.090 0.000 2.107 516 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 516 E C 1.373 177.958 176.600 -0.026 0.000 0.982 516 E CA 1.441 57.891 56.400 0.082 0.000 0.809 516 E CB -0.301 29.421 29.700 0.036 0.000 0.756 516 E HN 0.516 nan 8.360 nan 0.000 0.459 517 D N 0.058 120.440 120.400 -0.029 0.000 2.133 517 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 517 D C 1.920 177.975 176.300 -0.408 0.000 0.997 517 D CA 1.416 55.381 54.000 -0.058 0.000 0.840 517 D CB -0.358 40.543 40.800 0.169 0.000 0.947 517 D HN 0.331 nan 8.370 nan 0.000 0.452 518 M N -0.314 118.846 119.600 -0.734 0.000 2.086 518 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 518 M C 2.092 177.986 176.300 -0.676 0.000 1.067 518 M CA 1.290 55.807 55.300 -1.305 0.000 1.116 518 M CB -0.024 32.043 32.600 -0.888 0.000 1.348 518 M HN -0.020 nan 8.290 nan 0.000 0.407 519 M N 0.497 119.821 119.600 -0.460 0.000 2.073 519 M HA -0.177 4.303 4.480 -0.000 0.000 0.258 519 M C 1.809 177.908 176.300 -0.335 0.000 1.070 519 M CA 2.543 57.580 55.300 -0.439 0.000 1.103 519 M CB -1.063 31.355 32.600 -0.303 0.000 1.321 519 M HN 0.294 nan 8.290 nan 0.000 0.405 520 T N 0.061 114.482 114.554 -0.221 0.000 2.720 520 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 520 T C 1.506 176.137 174.700 -0.115 0.000 1.037 520 T CA 1.825 63.846 62.100 -0.133 0.000 1.144 520 T CB -0.664 68.169 68.868 -0.059 0.000 0.864 520 T HN 0.534 nan 8.240 nan 0.000 0.444 521 D N 0.485 120.810 120.400 -0.125 0.000 2.149 521 D HA -0.086 4.554 4.640 -0.000 0.000 0.198 521 D C 2.016 178.329 176.300 0.022 0.000 0.990 521 D CA 0.930 54.968 54.000 0.064 0.000 0.839 521 D CB -0.211 40.715 40.800 0.210 0.000 0.948 521 D HN 0.323 nan 8.370 nan 0.000 0.460 522 M N -0.703 118.674 119.600 -0.372 0.000 2.156 522 M HA -0.129 4.351 4.480 -0.000 0.000 0.264 522 M C 1.957 177.960 176.300 -0.494 0.000 1.067 522 M CA 1.127 55.923 55.300 -0.840 0.000 1.131 522 M CB -0.099 31.719 32.600 -1.304 0.000 1.368 522 M HN 0.159 nan 8.290 nan 0.000 0.416 523 C N -0.200 118.914 119.300 -0.310 0.000 2.429 523 C HA -0.112 4.347 4.460 -0.000 0.000 0.277 523 C C 2.670 177.571 174.990 -0.148 0.000 1.262 523 C CA 0.878 59.825 59.018 -0.119 0.000 1.733 523 C CB -0.952 26.763 27.740 -0.042 0.000 2.010 523 C HN 0.487 nan 8.230 nan 0.000 0.483 524 V N 0.450 120.305 119.914 -0.098 0.000 2.283 524 V HA -0.268 3.852 4.120 -0.000 0.000 0.243 524 V C 2.402 178.477 176.094 -0.032 0.000 1.039 524 V CA 2.199 64.473 62.300 -0.044 0.000 1.016 524 V CB -0.671 31.177 31.823 0.043 0.000 0.650 524 V HN 0.574 nan 8.190 nan 0.000 0.449 525 M N 0.831 120.462 119.600 0.051 0.000 2.086 525 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 525 M C 2.465 178.655 176.300 -0.183 0.000 1.067 525 M CA 2.448 57.847 55.300 0.165 0.000 1.116 525 M CB -0.228 32.653 32.600 0.467 0.000 1.348 525 M HN 0.566 nan 8.290 nan 0.000 0.407 526 S N 0.525 115.773 115.700 -0.753 0.000 2.399 526 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 526 S C 1.985 176.197 174.600 -0.647 0.000 1.022 526 S CA 1.016 58.354 58.200 -1.436 0.000 0.983 526 S CB -0.893 61.240 63.200 -1.779 0.000 0.803 526 S HN 0.591 nan 8.310 nan 0.000 0.480 527 A N 2.288 124.829 122.820 -0.465 0.000 2.019 527 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 527 A C 2.160 179.620 177.584 -0.207 0.000 1.164 527 A CA 1.335 53.154 52.037 -0.364 0.000 0.644 527 A CB -0.557 18.254 19.000 -0.316 0.000 0.805 527 A HN 0.638 nan 8.150 nan 0.000 0.449 528 K N -0.595 119.730 120.400 -0.125 0.000 2.280 528 K HA -0.024 4.296 4.320 -0.000 0.000 0.202 528 K C 1.161 177.761 176.600 0.000 0.000 1.047 528 K CA 0.885 57.145 56.287 -0.044 0.000 0.942 528 K CB -0.067 32.443 32.500 0.017 0.000 0.739 528 K HN 0.415 nan 8.250 nan 0.000 0.457 529 I N -0.685 119.905 120.570 0.032 0.000 3.172 529 I HA 0.142 4.312 4.170 -0.000 0.000 0.278 529 I C 1.124 177.260 176.117 0.031 0.000 1.174 529 I CA 0.579 61.944 61.300 0.108 0.000 1.445 529 I CB 0.041 38.256 38.000 0.358 0.000 1.175 529 I HN 0.131 nan 8.210 nan 0.000 0.447 530 G N -0.615 108.148 108.800 -0.061 0.000 2.322 530 G HA2 0.443 4.403 3.960 -0.000 0.000 0.295 530 G HA3 0.443 4.403 3.960 -0.000 0.000 0.295 530 G C -0.701 174.053 174.900 -0.244 0.000 1.369 530 G CA -0.175 44.863 45.100 -0.104 0.000 0.821 530 G HN 0.276 nan 8.290 nan 0.000 0.536 531 G N -1.166 107.487 108.800 -0.246 0.000 2.562 531 G HA2 0.579 4.539 3.960 -0.000 0.000 0.275 531 G HA3 0.579 4.539 3.960 -0.000 0.000 0.275 531 G C -0.284 174.421 174.900 -0.325 0.000 1.196 531 G CA -0.583 44.272 45.100 -0.407 0.000 0.908 531 G HN 0.458 nan 8.290 nan 0.000 0.524 532 F N -0.716 119.136 119.950 -0.163 0.000 2.553 532 F HA 0.193 4.720 4.527 -0.000 0.000 0.356 532 F C 0.718 176.456 175.800 -0.103 0.000 1.142 532 F CA -0.731 57.167 58.000 -0.170 0.000 1.322 532 F CB 0.610 39.499 39.000 -0.184 0.000 1.126 532 F HN 0.164 nan 8.300 nan 0.000 0.599 533 L N 5.930 127.225 121.223 0.121 0.000 2.313 533 L HA 0.422 4.761 4.340 -0.000 0.000 0.282 533 L C -2.427 174.489 176.870 0.077 0.000 1.092 533 L CA -1.922 52.964 54.840 0.077 0.000 0.831 533 L CB 0.199 42.299 42.059 0.069 0.000 1.159 533 L HN 0.279 nan 8.230 nan 0.000 0.442 534 P HA 0.194 nan 4.420 nan 0.000 0.262 534 P C 0.614 177.961 177.300 0.078 0.000 1.182 534 P CA 1.021 64.159 63.100 0.063 0.000 0.761 534 P CB 0.671 32.403 31.700 0.054 0.000 0.795 535 G N 2.155 110.993 108.800 0.063 0.000 2.199 535 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 535 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 535 G C 0.489 175.462 174.900 0.121 0.000 0.982 535 G CA 0.203 45.358 45.100 0.092 0.000 0.632 535 G HN 0.524 nan 8.290 nan 0.000 0.529 536 S N 0.811 116.554 115.700 0.072 0.000 2.474 536 S HA 0.530 5.000 4.470 -0.000 0.000 0.224 536 S C 0.503 174.997 174.600 -0.176 0.000 1.209 536 S CA -0.544 57.675 58.200 0.030 0.000 1.212 536 S CB 0.264 63.453 63.200 -0.018 0.000 1.137 536 S HN 0.467 nan 8.310 nan 0.000 0.446 537 L N 2.012 123.126 121.223 -0.180 0.000 2.466 537 L HA 0.375 4.715 4.340 -0.000 0.000 0.257 537 L C -2.228 174.323 176.870 -0.533 0.000 1.189 537 L CA -2.301 52.297 54.840 -0.404 0.000 0.813 537 L CB -0.121 41.768 42.059 -0.282 0.000 1.118 537 L HN 0.064 nan 8.230 nan 0.000 0.471 538 P HA 0.066 nan 4.420 nan 0.000 0.267 538 P C -1.430 175.630 177.300 -0.400 0.000 1.205 538 P CA -0.069 62.621 63.100 -0.684 0.000 0.765 538 P CB 0.537 31.751 31.700 -0.810 0.000 0.828 539 Q N 1.362 120.970 119.800 -0.320 0.000 2.472 539 Q HA 0.493 4.833 4.340 -0.000 0.000 0.281 539 Q C -1.526 174.339 176.000 -0.224 0.000 0.997 539 Q CA -0.835 54.869 55.803 -0.165 0.000 0.828 539 Q CB 0.755 29.471 28.738 -0.037 0.000 1.443 539 Q HN 0.105 nan 8.270 nan 0.000 0.390 540 F N 1.523 121.416 119.950 -0.095 0.000 2.396 540 F HA 0.359 4.886 4.527 -0.000 0.000 0.343 540 F C 0.421 176.188 175.800 -0.056 0.000 1.104 540 F CA -0.460 57.483 58.000 -0.094 0.000 1.161 540 F CB 1.183 40.117 39.000 -0.109 0.000 1.146 540 F HN 0.411 nan 8.300 nan 0.000 0.522 541 M N 1.873 121.527 119.600 0.091 0.000 2.247 541 M HA 0.141 4.621 4.480 -0.000 0.000 0.326 541 M C 0.247 176.590 176.300 0.072 0.000 1.134 541 M CA -0.606 54.717 55.300 0.038 0.000 1.136 541 M CB 0.610 33.187 32.600 -0.037 0.000 1.454 541 M HN 0.613 nan 8.290 nan 0.000 0.467 542 E N 2.874 123.091 120.200 0.028 0.000 2.442 542 E HA 0.061 4.411 4.350 -0.000 0.000 0.262 542 E C -2.250 174.369 176.600 0.031 0.000 1.004 542 E CA -1.258 55.157 56.400 0.025 0.000 0.928 542 E CB 0.292 29.982 29.700 -0.016 0.000 0.937 542 E HN 0.231 nan 8.360 nan 0.000 0.446 543 P HA 0.036 nan 4.420 nan 0.000 0.263 543 P C 0.348 177.552 177.300 -0.160 0.000 1.195 543 P CA 1.259 64.374 63.100 0.026 0.000 0.762 543 P CB 0.634 32.310 31.700 -0.040 0.000 0.799 544 G N 2.633 111.331 108.800 -0.170 0.000 2.225 544 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.254 544 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.254 544 G C 0.770 175.597 174.900 -0.122 0.000 0.988 544 G CA 0.216 45.181 45.100 -0.225 0.000 0.625 544 G HN 0.538 nan 8.290 nan 0.000 0.527 545 L N 0.958 122.131 121.223 -0.082 0.000 2.187 545 L HA 0.158 4.498 4.340 -0.000 0.000 0.213 545 L C 2.761 179.594 176.870 -0.062 0.000 1.100 545 L CA 2.527 57.326 54.840 -0.068 0.000 0.765 545 L CB -0.221 41.798 42.059 -0.067 0.000 0.904 545 L HN 0.503 nan 8.230 nan 0.000 0.437 546 V N -0.303 119.573 119.914 -0.063 0.000 2.809 546 V HA -0.113 4.007 4.120 -0.000 0.000 0.256 546 V C 1.540 177.533 176.094 -0.169 0.000 1.080 546 V CA 0.998 63.237 62.300 -0.101 0.000 1.102 546 V CB -0.299 31.495 31.823 -0.049 0.000 0.705 546 V HN 0.476 nan 8.190 nan 0.000 0.475 547 L N 0.276 121.467 121.223 -0.052 0.000 3.634 547 L HA -0.249 4.091 4.340 -0.000 0.000 0.423 547 L C 0.282 177.290 176.870 0.230 0.000 1.253 547 L CA 0.888 55.759 54.840 0.051 0.000 0.885 547 L CB -2.576 39.528 42.059 0.074 0.000 1.789 547 L HN 0.574 nan 8.230 nan 0.000 0.904 548 H N -0.696 118.470 119.070 0.160 0.000 2.467 548 H HA 0.283 4.839 4.556 -0.000 0.000 0.275 548 H C 0.535 175.996 175.328 0.221 0.000 1.131 548 H CA -1.115 55.072 56.048 0.232 0.000 0.989 548 H CB 0.676 30.618 29.762 0.300 0.000 1.696 548 H HN 0.190 nan 8.280 nan 0.000 0.574 549 L N 1.914 123.277 121.223 0.235 0.000 2.540 549 L HA 0.203 4.543 4.340 -0.000 0.000 0.276 549 L C 0.620 177.628 176.870 0.229 0.000 1.212 549 L CA 0.733 55.662 54.840 0.149 0.000 0.893 549 L CB 0.348 42.456 42.059 0.082 0.000 1.138 549 L HN 0.297 nan 8.230 nan 0.000 0.491 550 G N 1.797 110.744 108.800 0.245 0.000 2.680 550 G HA2 0.549 4.509 3.960 -0.000 0.000 0.290 550 G HA3 0.549 4.509 3.960 -0.000 0.000 0.290 550 G C 0.284 175.298 174.900 0.190 0.000 1.355 550 G CA -0.257 45.015 45.100 0.287 0.000 0.903 550 G HN 1.333 nan 8.290 nan 0.000 0.474 551 G N -1.140 107.734 108.800 0.123 0.000 2.179 551 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 551 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 551 G C 1.393 176.358 174.900 0.109 0.000 0.977 551 G CA 1.507 46.689 45.100 0.137 0.000 0.641 551 G HN 1.887 nan 8.290 nan 0.000 0.533 552 T N -1.726 112.845 114.554 0.028 0.000 2.995 552 T HA 0.141 4.491 4.350 -0.000 0.000 0.269 552 T C 1.082 175.872 174.700 0.150 0.000 1.091 552 T CA 1.876 64.037 62.100 0.101 0.000 1.128 552 T CB -0.300 68.637 68.868 0.115 0.000 0.891 552 T HN 1.492 nan 8.240 nan 0.000 0.492 553 H N -0.114 119.033 119.070 0.128 0.000 2.712 553 H HA 0.470 5.026 4.556 -0.000 0.000 0.226 553 H C -0.052 175.321 175.328 0.076 0.000 1.422 553 H CA -1.356 54.742 56.048 0.084 0.000 1.270 553 H CB -0.266 29.511 29.762 0.025 0.000 1.891 553 H HN 0.339 nan 8.280 nan 0.000 0.518 554 R N 0.671 121.261 120.500 0.150 0.000 2.679 554 R HA 0.336 4.676 4.340 -0.000 0.000 0.269 554 R C -0.374 175.991 176.300 0.108 0.000 1.076 554 R CA -0.747 55.413 56.100 0.099 0.000 1.160 554 R CB 0.990 31.339 30.300 0.081 0.000 1.054 554 R HN 0.474 nan 8.270 nan 0.000 0.507 555 M N 0.914 120.552 119.600 0.064 0.000 2.367 555 M HA 0.504 4.984 4.480 -0.000 0.000 0.339 555 M C -0.645 175.655 176.300 -0.000 0.000 1.177 555 M CA 0.004 55.320 55.300 0.027 0.000 1.068 555 M CB 1.887 34.474 32.600 -0.021 0.000 1.602 555 M HN 0.939 nan 8.290 nan 0.000 0.457 556 G N 1.923 110.736 108.800 0.021 0.000 2.550 556 G HA2 0.414 4.374 3.960 -0.000 0.000 0.293 556 G HA3 0.414 4.374 3.960 -0.000 0.000 0.293 556 G C -0.958 173.946 174.900 0.006 0.000 1.402 556 G CA -0.666 44.387 45.100 -0.079 0.000 0.784 556 G HN 0.672 nan 8.290 nan 0.000 0.482 557 F N -0.064 119.989 119.950 0.171 0.000 2.293 557 F HA 0.264 4.791 4.527 -0.000 0.000 0.297 557 F C 1.093 177.026 175.800 0.221 0.000 1.089 557 F CA 1.004 59.110 58.000 0.177 0.000 1.377 557 F CB 0.392 39.451 39.000 0.098 0.000 1.051 557 F HN 0.395 nan 8.300 nan 0.000 0.511 558 D N -1.056 119.504 120.400 0.267 0.000 2.757 558 D HA 0.127 4.767 4.640 -0.000 0.000 0.249 558 D C 0.712 176.814 176.300 -0.329 0.000 1.168 558 D CA -0.271 53.714 54.000 -0.026 0.000 0.870 558 D CB 1.347 42.159 40.800 0.020 0.000 1.411 558 D HN 0.062 nan 8.370 nan 0.000 0.525 559 E N 3.051 122.685 120.200 -0.944 0.000 2.070 559 E HA -0.269 4.081 4.350 -0.000 0.000 0.197 559 E C 1.316 177.712 176.600 -0.340 0.000 1.004 559 E CA 1.221 57.056 56.400 -0.941 0.000 0.805 559 E CB 0.271 29.316 29.700 -1.091 0.000 0.744 559 E HN 0.437 nan 8.360 nan 0.000 0.451 560 K N 0.013 120.273 120.400 -0.233 0.000 2.098 560 K HA -0.090 4.230 4.320 -0.000 0.000 0.203 560 K C 1.907 178.468 176.600 -0.066 0.000 1.051 560 K CA 1.132 57.355 56.287 -0.106 0.000 0.957 560 K CB 0.136 32.593 32.500 -0.072 0.000 0.738 560 K HN 0.089 nan 8.250 nan 0.000 0.447 561 E N 0.351 120.516 120.200 -0.059 0.000 2.152 561 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 561 E C 0.668 177.260 176.600 -0.014 0.000 0.983 561 E CA 0.878 57.268 56.400 -0.016 0.000 0.818 561 E CB 0.211 29.916 29.700 0.009 0.000 0.758 561 E HN 0.322 nan 8.360 nan 0.000 0.467 562 D N 0.268 120.650 120.400 -0.030 0.000 2.363 562 D HA 0.052 4.692 4.640 -0.000 0.000 0.214 562 D C -0.641 175.585 176.300 -0.123 0.000 1.093 562 D CA -0.015 53.962 54.000 -0.039 0.000 0.837 562 D CB 0.073 40.884 40.800 0.019 0.000 0.948 562 D HN 0.063 nan 8.370 nan 0.000 0.507 563 N N 0.641 119.267 118.700 -0.122 0.000 2.667 563 N HA -0.192 4.548 4.740 -0.000 0.000 0.263 563 N C -0.229 175.196 175.510 -0.142 0.000 1.038 563 N CA 0.603 53.562 53.050 -0.152 0.000 0.749 563 N CB -1.375 36.905 38.487 -0.345 0.000 0.892 563 N HN 0.417 nan 8.380 nan 0.000 0.546 564 C N -3.296 115.993 119.300 -0.019 0.000 3.318 564 C HA 0.793 5.253 4.460 -0.000 0.000 0.329 564 C C 1.245 176.388 174.990 0.256 0.000 1.449 564 C CA -0.554 58.526 59.018 0.104 0.000 1.397 564 C CB 1.549 29.369 27.740 0.134 0.000 1.810 564 C HN 0.497 nan 8.230 nan 0.000 0.449 565 C N 0.188 119.695 119.300 0.345 0.000 3.294 565 C HA 0.532 4.992 4.460 -0.000 0.000 0.441 565 C C 0.574 175.706 174.990 0.237 0.000 1.364 565 C CA 0.663 59.879 59.018 0.329 0.000 2.059 565 C CB -0.252 27.600 27.740 0.187 0.000 2.925 565 C HN 1.018 nan 8.230 nan 0.000 0.633 566 V N 1.227 121.178 119.914 0.061 0.000 3.040 566 V HA 0.729 4.849 4.120 -0.000 0.000 0.312 566 V C -0.889 174.884 176.094 -0.536 0.000 1.115 566 V CA -0.606 61.464 62.300 -0.383 0.000 0.998 566 V CB 1.620 33.322 31.823 -0.201 0.000 1.042 566 V HN 0.390 nan 8.190 nan 0.000 0.433 567 N N 0.742 118.938 118.700 -0.840 0.000 2.495 567 N HA 0.289 5.029 4.740 -0.000 0.000 0.294 567 N C 1.028 176.399 175.510 -0.231 0.000 1.276 567 N CA 0.253 53.022 53.050 -0.468 0.000 0.973 567 N CB -0.044 38.159 38.487 -0.474 0.000 1.143 567 N HN 0.948 nan 8.380 nan 0.000 0.589 568 T N -4.704 109.766 114.554 -0.140 0.000 3.113 568 T HA 0.024 4.374 4.350 -0.000 0.000 0.263 568 T C 0.050 174.676 174.700 -0.124 0.000 1.143 568 T CA 0.593 62.613 62.100 -0.133 0.000 1.090 568 T CB -0.399 68.422 68.868 -0.078 0.000 0.922 568 T HN 0.442 nan 8.240 nan 0.000 0.521 569 D N 1.050 121.362 120.400 -0.146 0.000 2.340 569 D HA 0.198 4.838 4.640 -0.000 0.000 0.217 569 D C 0.513 176.821 176.300 0.014 0.000 1.081 569 D CA 0.056 53.990 54.000 -0.110 0.000 0.842 569 D CB 0.145 40.752 40.800 -0.320 0.000 0.934 569 D HN 0.318 nan 8.370 nan 0.000 0.511 570 S N 0.313 115.987 115.700 -0.044 0.000 3.476 570 S HA -0.255 4.215 4.470 -0.000 0.000 0.309 570 S C 0.549 175.126 174.600 -0.038 0.000 1.222 570 S CA 0.487 58.696 58.200 0.015 0.000 0.922 570 S CB -1.296 61.993 63.200 0.149 0.000 1.023 570 S HN 0.470 nan 8.310 nan 0.000 0.591 571 R N 1.090 121.435 120.500 -0.258 0.000 2.297 571 R HA 0.477 4.817 4.340 -0.000 0.000 0.308 571 R C -0.029 175.942 176.300 -0.548 0.000 1.029 571 R CA -0.453 55.285 56.100 -0.603 0.000 0.929 571 R CB 0.729 30.640 30.300 -0.647 0.000 1.046 571 R HN 0.134 nan 8.270 nan 0.000 0.461 572 V N 6.034 125.663 119.914 -0.476 0.000 2.540 572 V HA -0.015 4.105 4.120 -0.000 0.000 0.297 572 V C 0.192 176.209 176.094 -0.127 0.000 1.024 572 V CA 0.298 62.421 62.300 -0.296 0.000 1.105 572 V CB -0.121 31.520 31.823 -0.302 0.000 0.938 572 V HN 0.566 nan 8.190 nan 0.000 0.482 573 F N 4.019 124.004 119.950 0.058 0.000 2.623 573 F HA 0.387 4.914 4.527 -0.000 0.000 0.383 573 F C 1.544 177.464 175.800 0.200 0.000 1.077 573 F CA 1.606 59.664 58.000 0.097 0.000 1.268 573 F CB -0.003 39.049 39.000 0.087 0.000 1.053 573 F HN 0.791 nan 8.300 nan 0.000 0.571 574 G N 2.293 111.260 108.800 0.279 0.000 2.258 574 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.233 574 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.233 574 G C -0.106 174.741 174.900 -0.089 0.000 1.006 574 G CA -0.555 44.609 45.100 0.106 0.000 0.620 574 G HN 0.436 nan 8.290 nan 0.000 0.511 575 F N 1.256 121.228 119.950 0.037 0.000 2.427 575 F HA 0.615 5.142 4.527 -0.000 0.000 0.346 575 F C 1.391 177.177 175.800 -0.023 0.000 1.120 575 F CA -0.822 57.185 58.000 0.013 0.000 1.033 575 F CB 1.702 40.706 39.000 0.006 0.000 1.126 575 F HN -0.218 nan 8.300 nan 0.000 0.462 576 K N 1.758 122.261 120.400 0.171 0.000 2.155 576 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 576 K C 0.720 177.544 176.600 0.372 0.000 1.052 576 K CA 1.001 57.426 56.287 0.231 0.000 0.948 576 K CB 0.052 32.688 32.500 0.227 0.000 0.728 576 K HN 0.683 nan 8.250 nan 0.000 0.448 577 N N -0.066 118.818 118.700 0.307 0.000 2.387 577 N HA 0.026 4.766 4.740 -0.000 0.000 0.259 577 N C -0.748 174.888 175.510 0.211 0.000 1.369 577 N CA -0.318 52.975 53.050 0.405 0.000 0.867 577 N CB -0.150 38.616 38.487 0.465 0.000 1.341 577 N HN -0.071 nan 8.380 nan 0.000 0.495 578 L N 0.594 121.711 121.223 -0.176 0.000 2.356 578 L HA 0.711 5.051 4.340 -0.000 0.000 0.277 578 L C -1.782 174.639 176.870 -0.748 0.000 0.996 578 L CA -0.536 54.148 54.840 -0.261 0.000 0.822 578 L CB 1.010 42.921 42.059 -0.246 0.000 1.256 578 L HN -0.042 nan 8.230 nan 0.000 0.413 579 F N 4.842 124.711 119.950 -0.135 0.000 2.546 579 F HA 0.661 5.188 4.527 -0.000 0.000 0.320 579 F C -0.571 175.076 175.800 -0.256 0.000 1.076 579 F CA -0.683 57.216 58.000 -0.169 0.000 0.928 579 F CB 1.829 40.751 39.000 -0.129 0.000 1.189 579 F HN 0.192 nan 8.300 nan 0.000 0.465 580 L N 1.954 123.127 121.223 -0.084 0.000 2.346 580 L HA 0.845 5.185 4.340 -0.000 0.000 0.276 580 L C 0.102 176.977 176.870 0.008 0.000 1.006 580 L CA -0.805 53.919 54.840 -0.193 0.000 0.817 580 L CB 1.821 43.607 42.059 -0.455 0.000 1.272 580 L HN 0.779 nan 8.230 nan 0.000 0.421 581 G N 0.468 109.290 108.800 0.037 0.000 2.448 581 G HA2 0.793 4.753 3.960 -0.000 0.000 0.324 581 G HA3 0.793 4.753 3.960 -0.000 0.000 0.324 581 G C -0.416 174.609 174.900 0.208 0.000 1.203 581 G CA -0.248 44.983 45.100 0.218 0.000 0.954 581 G HN 0.963 nan 8.290 nan 0.000 0.480 582 G N -1.152 107.760 108.800 0.188 0.000 2.343 582 G HA2 0.054 4.014 3.960 -0.000 0.000 0.465 582 G HA3 0.054 4.014 3.960 -0.000 0.000 0.465 582 G C 0.732 175.683 174.900 0.086 0.000 1.282 582 G CA 0.049 45.233 45.100 0.140 0.000 0.996 582 G HN 1.145 nan 8.290 nan 0.000 0.521 583 C N 0.662 119.991 119.300 0.050 0.000 2.432 583 C HA 0.237 4.697 4.460 -0.000 0.000 0.282 583 C C 3.013 177.982 174.990 -0.035 0.000 1.388 583 C CA 1.658 60.685 59.018 0.015 0.000 1.777 583 C CB -1.313 26.472 27.740 0.076 0.000 1.882 583 C HN 1.266 nan 8.230 nan 0.000 0.520 584 G N 1.413 110.100 108.800 -0.187 0.000 2.479 584 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 584 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 584 G C 1.427 176.000 174.900 -0.546 0.000 1.115 584 G CA 0.761 45.493 45.100 -0.613 0.000 0.757 584 G HN 0.554 nan 8.290 nan 0.000 0.560 585 N N 0.476 119.059 118.700 -0.196 0.000 2.309 585 N HA -0.002 4.738 4.740 -0.000 0.000 0.182 585 N C 1.024 176.549 175.510 0.025 0.000 1.018 585 N CA 0.202 53.272 53.050 0.032 0.000 0.876 585 N CB -0.034 38.519 38.487 0.110 0.000 0.972 585 N HN 0.314 nan 8.380 nan 0.000 0.434 586 I N 3.203 123.782 120.570 0.015 0.000 2.581 586 I HA 0.009 4.179 4.170 -0.000 0.000 0.285 586 I C -1.340 174.860 176.117 0.138 0.000 1.129 586 I CA -0.819 60.514 61.300 0.055 0.000 1.397 586 I CB 0.895 38.858 38.000 -0.061 0.000 1.399 586 I HN -0.062 nan 8.210 nan 0.000 0.537 587 P HA 0.065 nan 4.420 nan 0.000 0.267 587 P C 0.289 177.679 177.300 0.149 0.000 1.289 587 P CA 0.223 63.392 63.100 0.115 0.000 0.866 587 P CB 0.254 31.980 31.700 0.043 0.000 1.309 588 T N -1.949 112.727 114.554 0.202 0.000 2.884 588 T HA 0.682 5.032 4.350 -0.000 0.000 0.277 588 T C 0.210 175.048 174.700 0.230 0.000 0.976 588 T CA -0.865 61.342 62.100 0.178 0.000 0.956 588 T CB 0.997 69.944 68.868 0.132 0.000 1.113 588 T HN 0.049 nan 8.240 nan 0.000 0.554 589 A N 1.564 124.450 122.820 0.111 0.000 2.269 589 A HA 0.620 4.940 4.320 -0.000 0.000 0.302 589 A C -0.711 176.832 177.584 -0.069 0.000 1.266 589 A CA -0.850 51.201 52.037 0.022 0.000 0.894 589 A CB -0.815 18.214 19.000 0.049 0.000 1.147 589 A HN 0.851 nan 8.150 nan 0.000 0.537 590 Y N -0.368 119.826 120.300 -0.176 0.000 2.512 590 Y HA 0.732 5.282 4.550 -0.000 0.000 0.348 590 Y C 0.691 176.445 175.900 -0.243 0.000 0.990 590 Y CA -0.717 57.082 58.100 -0.502 0.000 1.033 590 Y CB 1.427 39.335 38.460 -0.920 0.000 1.259 590 Y HN 0.395 nan 8.280 nan 0.000 0.461 591 G N 0.454 109.138 108.800 -0.192 0.000 2.724 591 G HA2 0.406 4.366 3.960 -0.000 0.000 0.205 591 G HA3 0.406 4.366 3.960 -0.000 0.000 0.205 591 G C 0.457 175.438 174.900 0.134 0.000 1.112 591 G CA 0.170 45.363 45.100 0.154 0.000 0.793 591 G HN 0.961 nan 8.290 nan 0.000 0.526 592 A N 0.791 123.520 122.820 -0.152 0.000 2.366 592 A HA 0.465 4.785 4.320 -0.000 0.000 0.250 592 A C -0.036 177.477 177.584 -0.119 0.000 1.099 592 A CA -0.388 51.461 52.037 -0.314 0.000 0.794 592 A CB 0.013 18.846 19.000 -0.279 0.000 1.056 592 A HN 0.360 nan 8.150 nan 0.000 0.499 593 N N 1.412 119.893 118.700 -0.365 0.000 2.497 593 N HA 0.285 5.025 4.740 -0.000 0.000 0.268 593 N C -2.089 173.339 175.510 -0.137 0.000 1.171 593 N CA -1.052 51.756 53.050 -0.403 0.000 0.948 593 N CB 0.475 38.788 38.487 -0.290 0.000 1.069 593 N HN 0.385 nan 8.380 nan 0.000 0.460 594 P HA 0.015 nan 4.420 nan 0.000 0.245 594 P C 0.489 177.685 177.300 -0.172 0.000 1.203 594 P CA 0.632 63.648 63.100 -0.140 0.000 0.792 594 P CB 0.333 31.963 31.700 -0.117 0.000 0.997 595 T N 0.950 115.486 114.554 -0.030 0.000 2.746 595 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 595 T C 1.753 176.548 174.700 0.159 0.000 1.039 595 T CA 0.920 63.067 62.100 0.078 0.000 1.142 595 T CB -0.828 68.126 68.868 0.142 0.000 0.866 595 T HN 0.007 nan 8.240 nan 0.000 0.444 596 L N 1.118 122.450 121.223 0.182 0.000 2.042 596 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 596 L C 2.492 179.436 176.870 0.124 0.000 1.076 596 L CA 1.792 56.791 54.840 0.264 0.000 0.749 596 L CB -1.051 41.143 42.059 0.225 0.000 0.893 596 L HN 0.186 nan 8.230 nan 0.000 0.432 597 T N -0.447 114.038 114.554 -0.115 0.000 2.737 597 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 597 T C 1.924 176.532 174.700 -0.153 0.000 1.038 597 T CA 1.194 63.138 62.100 -0.260 0.000 1.144 597 T CB -0.493 67.780 68.868 -0.992 0.000 0.866 597 T HN 0.526 nan 8.240 nan 0.000 0.434 598 A N 1.688 124.422 122.820 -0.144 0.000 1.917 598 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 598 A C 2.312 179.866 177.584 -0.050 0.000 1.182 598 A CA 2.090 54.090 52.037 -0.061 0.000 0.633 598 A CB -0.789 18.199 19.000 -0.021 0.000 0.819 598 A HN 0.541 nan 8.150 nan 0.000 0.448 599 M N -0.425 119.153 119.600 -0.036 0.000 2.117 599 M HA -0.138 4.342 4.480 -0.000 0.000 0.262 599 M C 2.137 178.347 176.300 -0.151 0.000 1.065 599 M CA 2.081 57.326 55.300 -0.092 0.000 1.114 599 M CB -0.147 32.392 32.600 -0.101 0.000 1.361 599 M HN 0.388 nan 8.290 nan 0.000 0.408 600 S N 1.185 116.799 115.700 -0.143 0.000 2.356 600 S HA -0.115 4.355 4.470 -0.000 0.000 0.223 600 S C 1.745 176.163 174.600 -0.304 0.000 1.032 600 S CA 1.418 59.471 58.200 -0.246 0.000 1.005 600 S CB -0.540 62.468 63.200 -0.320 0.000 0.867 600 S HN 0.513 nan 8.310 nan 0.000 0.449 601 L N 1.211 122.295 121.223 -0.233 0.000 2.042 601 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 601 L C 2.790 179.533 176.870 -0.212 0.000 1.076 601 L CA 1.299 56.004 54.840 -0.224 0.000 0.749 601 L CB -0.746 41.250 42.059 -0.105 0.000 0.893 601 L HN 0.326 nan 8.230 nan 0.000 0.432 602 A N 0.204 122.893 122.820 -0.218 0.000 1.930 602 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 602 A C 2.237 179.514 177.584 -0.510 0.000 1.175 602 A CA 1.378 53.175 52.037 -0.401 0.000 0.627 602 A CB -0.623 18.115 19.000 -0.437 0.000 0.815 602 A HN 0.346 nan 8.150 nan 0.000 0.443 603 I N -0.394 119.963 120.570 -0.356 0.000 2.163 603 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 603 I C 2.547 178.507 176.117 -0.262 0.000 1.085 603 I CA 2.009 63.134 61.300 -0.292 0.000 1.347 603 I CB -0.241 37.603 38.000 -0.259 0.000 1.044 603 I HN 0.402 nan 8.210 nan 0.000 0.408 604 K N 0.509 120.751 120.400 -0.263 0.000 2.063 604 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 604 K C 2.336 178.854 176.600 -0.137 0.000 1.048 604 K CA 1.860 58.020 56.287 -0.212 0.000 0.928 604 K CB -0.150 32.185 32.500 -0.275 0.000 0.713 604 K HN 0.116 nan 8.250 nan 0.000 0.442 605 S N -0.075 115.530 115.700 -0.158 0.000 2.359 605 S HA -0.180 4.290 4.470 -0.000 0.000 0.224 605 S C 2.015 176.536 174.600 -0.132 0.000 1.035 605 S CA 1.504 59.655 58.200 -0.081 0.000 1.018 605 S CB -0.495 62.696 63.200 -0.016 0.000 0.876 605 S HN 0.588 nan 8.310 nan 0.000 0.448 606 C N 1.460 120.599 119.300 -0.268 0.000 2.432 606 C HA 0.028 4.488 4.460 -0.000 0.000 0.280 606 C C 2.454 177.364 174.990 -0.133 0.000 1.353 606 C CA 0.568 59.435 59.018 -0.252 0.000 1.766 606 C CB -1.404 26.145 27.740 -0.319 0.000 1.924 606 C HN 0.675 nan 8.230 nan 0.000 0.509 607 E N -0.680 119.468 120.200 -0.087 0.000 2.107 607 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 607 E C 1.810 178.420 176.600 0.016 0.000 0.982 607 E CA 1.188 57.565 56.400 -0.038 0.000 0.809 607 E CB -0.271 29.402 29.700 -0.045 0.000 0.756 607 E HN 0.831 nan 8.360 nan 0.000 0.459 608 Y N 1.215 121.480 120.300 -0.059 0.000 2.200 608 Y HA -0.156 4.394 4.550 -0.000 0.000 0.290 608 Y C 1.908 177.829 175.900 0.036 0.000 1.137 608 Y CA 1.241 59.346 58.100 0.009 0.000 1.163 608 Y CB -0.037 38.464 38.460 0.069 0.000 0.988 608 Y HN -0.078 nan 8.280 nan 0.000 0.518 609 I N 0.385 120.982 120.570 0.045 0.000 2.252 609 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 609 I C 2.287 178.429 176.117 0.042 0.000 1.102 609 I CA 1.497 62.799 61.300 0.003 0.000 1.385 609 I CB -0.349 37.439 38.000 -0.353 0.000 1.064 609 I HN 0.117 nan 8.210 nan 0.000 0.414 610 K N 0.292 120.684 120.400 -0.012 0.000 2.209 610 K HA -0.182 4.138 4.320 -0.000 0.000 0.204 610 K C 1.904 178.544 176.600 0.067 0.000 1.048 610 K CA 1.121 57.472 56.287 0.106 0.000 0.940 610 K CB -0.076 32.467 32.500 0.072 0.000 0.729 610 K HN 0.479 nan 8.250 nan 0.000 0.451 611 Q N -0.451 119.312 119.800 -0.062 0.000 2.408 611 Q HA 0.070 4.410 4.340 -0.000 0.000 0.205 611 Q C 0.913 176.778 176.000 -0.224 0.000 0.919 611 Q CA 0.390 56.116 55.803 -0.128 0.000 0.932 611 Q CB 0.486 29.128 28.738 -0.161 0.000 1.058 611 Q HN 0.319 nan 8.270 nan 0.000 0.517 612 N N -0.740 117.776 118.700 -0.306 0.000 2.181 612 N HA 0.154 4.894 4.740 -0.000 0.000 0.207 612 N C -0.832 174.292 175.510 -0.644 0.000 1.182 612 N CA 0.256 52.989 53.050 -0.529 0.000 0.893 612 N CB 0.944 38.931 38.487 -0.833 0.000 1.032 612 N HN -0.008 nan 8.380 nan 0.000 0.513 613 F N 0.324 120.280 119.950 0.010 0.000 2.578 613 F HA 0.341 4.868 4.527 -0.000 0.000 0.311 613 F C 0.046 175.960 175.800 0.191 0.000 1.094 613 F CA -0.666 57.401 58.000 0.113 0.000 0.923 613 F CB 1.960 41.037 39.000 0.129 0.000 1.230 613 F HN -0.381 nan 8.300 nan 0.000 0.450 614 T N 3.443 118.173 114.554 0.294 0.000 2.771 614 T HA 0.435 4.785 4.350 -0.000 0.000 0.281 614 T C -2.610 172.096 174.700 0.010 0.000 0.982 614 T CA -1.480 60.678 62.100 0.098 0.000 0.978 614 T CB 1.357 70.247 68.868 0.037 0.000 0.930 614 T HN 0.123 nan 8.240 nan 0.000 0.447 615 P HA 0.121 nan 4.420 nan 0.000 0.266 615 P C -0.057 177.160 177.300 -0.138 0.000 1.195 615 P CA -0.338 62.515 63.100 -0.411 0.000 0.768 615 P CB 0.315 31.647 31.700 -0.612 0.000 0.838 616 S N 3.695 119.356 115.700 -0.064 0.000 2.572 616 S HA 0.278 4.748 4.470 -0.000 0.000 0.279 616 S C -2.023 172.570 174.600 -0.013 0.000 1.341 616 S CA -1.036 57.153 58.200 -0.019 0.000 1.043 616 S CB -0.578 62.620 63.200 -0.003 0.000 0.887 616 S HN 0.315 nan 8.310 nan 0.000 0.516 617 P HA 0.128 nan 4.420 nan 0.000 0.268 617 P C -0.721 176.665 177.300 0.143 0.000 1.204 617 P CA -0.365 62.770 63.100 0.059 0.000 0.768 617 P CB 0.182 31.905 31.700 0.040 0.000 0.842 618 F N 3.067 122.999 119.950 -0.029 0.000 2.445 618 F HA 0.309 4.836 4.527 -0.000 0.000 0.359 618 F C 0.447 176.237 175.800 -0.016 0.000 1.101 618 F CA -0.296 57.692 58.000 -0.020 0.000 1.177 618 F CB 0.298 39.288 39.000 -0.017 0.000 1.110 618 F HN 0.203 nan 8.300 nan 0.000 0.522 619 T N 0.000 114.868 114.554 0.523 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.203 62.100 0.172 0.000 1.349 619 T CB 0.000 68.945 68.868 0.128 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658