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 2igm_1_B DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT 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 PGLVLNLGGT 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 0.000 176.302 176.300 0.003 0.000 1.140 43 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 43 M CB 0.000 32.309 32.600 -0.486 0.000 1.302 44 D N 2.713 123.160 120.400 0.077 0.000 2.388 44 D HA 0.360 5.000 4.640 -0.001 0.000 0.254 44 D C 0.955 177.179 176.300 -0.127 0.000 1.111 44 D CA -0.312 53.597 54.000 -0.152 0.000 0.993 44 D CB 1.319 41.845 40.800 -0.455 0.000 1.118 44 D HN 0.694 nan 8.370 nan 0.000 0.502 45 I N -1.394 119.094 120.570 -0.137 0.000 2.716 45 I HA 0.091 4.260 4.170 -0.001 0.000 0.259 45 I C 0.411 176.508 176.117 -0.034 0.000 1.172 45 I CA 1.155 62.427 61.300 -0.046 0.000 1.478 45 I CB 0.012 37.997 38.000 -0.025 0.000 1.104 45 I HN 0.112 nan 8.210 nan 0.000 0.439 46 K N -0.314 119.965 120.400 -0.200 0.000 2.501 46 K HA 0.530 4.849 4.320 -0.001 0.000 0.252 46 K C -1.851 174.506 176.600 -0.405 0.000 0.934 46 K CA -0.554 55.646 56.287 -0.145 0.000 0.797 46 K CB 1.284 33.748 32.500 -0.061 0.000 1.270 46 K HN 0.101 nan 8.250 nan 0.000 0.431 47 Y N 1.015 121.331 120.300 0.027 0.000 2.633 47 Y HA 0.258 4.807 4.550 -0.001 0.000 0.339 47 Y C 0.574 176.478 175.900 0.007 0.000 1.045 47 Y CA -0.671 57.443 58.100 0.023 0.000 1.098 47 Y CB 1.826 40.303 38.460 0.027 0.000 1.296 47 Y HN 0.669 nan 8.280 nan 0.000 0.494 48 D N 0.093 120.609 120.400 0.193 0.000 2.123 48 D HA 0.008 4.647 4.640 -0.001 0.000 0.200 48 D C -0.327 175.985 176.300 0.021 0.000 0.976 48 D CA 1.467 55.559 54.000 0.152 0.000 0.831 48 D CB 0.234 41.206 40.800 0.287 0.000 0.974 48 D HN 0.098 nan 8.370 nan 0.000 0.469 49 V N 1.143 121.063 119.914 0.010 0.000 2.623 49 V HA 0.330 4.450 4.120 -0.001 0.000 0.304 49 V C -0.282 175.741 176.094 -0.118 0.000 1.054 49 V CA -1.069 61.142 62.300 -0.148 0.000 0.882 49 V CB 2.451 34.161 31.823 -0.189 0.000 1.002 49 V HN -0.029 nan 8.190 nan 0.000 0.424 50 V N 3.106 122.907 119.914 -0.188 0.000 2.513 50 V HA 0.758 4.877 4.120 -0.001 0.000 0.299 50 V C -0.569 175.488 176.094 -0.063 0.000 1.035 50 V CA -0.574 61.684 62.300 -0.069 0.000 0.889 50 V CB 1.679 33.543 31.823 0.069 0.000 0.988 50 V HN 0.690 nan 8.190 nan 0.000 0.440 51 I N 4.267 124.830 120.570 -0.011 0.000 2.418 51 I HA 0.457 4.627 4.170 -0.001 0.000 0.287 51 I C -0.620 175.534 176.117 0.061 0.000 1.008 51 I CA -0.889 60.380 61.300 -0.053 0.000 1.104 51 I CB 2.239 40.187 38.000 -0.086 0.000 1.264 51 I HN 0.435 nan 8.210 nan 0.000 0.438 52 V N 5.533 125.463 119.914 0.026 0.000 2.348 52 V HA 0.779 4.899 4.120 -0.001 0.000 0.270 52 V C 0.499 176.603 176.094 0.018 0.000 1.037 52 V CA -0.264 62.073 62.300 0.061 0.000 0.872 52 V CB 0.557 32.386 31.823 0.010 0.000 1.002 52 V HN 1.062 nan 8.190 nan 0.000 0.464 53 G N 3.951 112.779 108.800 0.047 0.000 3.069 53 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.686 53 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.686 53 G C -0.024 174.895 174.900 0.031 0.000 1.161 53 G CA -0.241 44.876 45.100 0.029 0.000 0.804 53 G HN 1.266 nan 8.290 nan 0.000 0.608 54 S N 1.141 116.864 115.700 0.038 0.000 2.601 54 S HA 0.594 5.064 4.470 -0.001 0.000 0.244 54 S C 1.358 175.974 174.600 0.027 0.000 1.001 54 S CA 0.724 58.953 58.200 0.049 0.000 0.984 54 S CB 0.639 63.879 63.200 0.068 0.000 0.842 54 S HN 1.942 nan 8.310 nan 0.000 0.474 55 G N 2.806 111.611 108.800 0.008 0.000 2.631 55 G HA2 0.352 4.311 3.960 -0.001 0.000 0.271 55 G HA3 0.352 4.311 3.960 -0.001 0.000 0.271 55 G C -1.104 173.778 174.900 -0.030 0.000 1.302 55 G CA -1.135 43.952 45.100 -0.023 0.000 1.002 55 G HN 0.252 nan 8.290 nan 0.000 0.519 56 P HA -0.058 nan 4.420 nan 0.000 0.222 56 P C 1.668 178.917 177.300 -0.085 0.000 1.147 56 P CA 0.707 63.763 63.100 -0.074 0.000 0.790 56 P CB 0.196 31.869 31.700 -0.046 0.000 0.780 57 I N 0.089 120.642 120.570 -0.029 0.000 2.277 57 I HA -0.017 4.152 4.170 -0.001 0.000 0.243 57 I C 2.714 178.895 176.117 0.107 0.000 1.094 57 I CA 1.433 62.751 61.300 0.030 0.000 1.393 57 I CB -2.281 35.760 38.000 0.069 0.000 1.078 57 I HN -0.007 nan 8.210 nan 0.000 0.417 58 G N 0.535 109.371 108.800 0.061 0.000 2.469 58 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.219 58 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.219 58 G C 1.779 176.681 174.900 0.003 0.000 1.150 58 G CA 1.149 46.274 45.100 0.042 0.000 0.763 58 G HN 0.411 nan 8.290 nan 0.000 0.561 59 C N 0.652 119.930 119.300 -0.036 0.000 2.419 59 C HA 0.011 4.470 4.460 -0.001 0.000 0.281 59 C C 3.195 178.065 174.990 -0.200 0.000 1.336 59 C CA 1.415 60.369 59.018 -0.106 0.000 1.770 59 C CB -1.048 26.681 27.740 -0.018 0.000 1.929 59 C HN 0.468 nan 8.230 nan 0.000 0.509 60 T N -0.119 114.348 114.554 -0.146 0.000 2.737 60 T HA -0.161 4.188 4.350 -0.001 0.000 0.265 60 T C 1.479 176.041 174.700 -0.231 0.000 1.038 60 T CA 1.588 63.578 62.100 -0.184 0.000 1.144 60 T CB -0.430 68.349 68.868 -0.149 0.000 0.866 60 T HN 0.555 nan 8.240 nan 0.000 0.434 61 Y N 1.482 121.652 120.300 -0.217 0.000 2.165 61 Y HA -0.058 4.491 4.550 -0.001 0.000 0.286 61 Y C 2.730 178.426 175.900 -0.340 0.000 1.155 61 Y CA 0.934 58.887 58.100 -0.245 0.000 1.164 61 Y CB -0.608 37.725 38.460 -0.212 0.000 0.978 61 Y HN 0.205 nan 8.280 nan 0.000 0.513 62 A N 0.161 122.799 122.820 -0.304 0.000 1.873 62 A HA -0.215 4.104 4.320 -0.001 0.000 0.215 62 A C 2.272 179.284 177.584 -0.952 0.000 1.186 62 A CA 1.771 53.379 52.037 -0.716 0.000 0.616 62 A CB -0.748 17.572 19.000 -1.132 0.000 0.823 62 A HN 0.432 nan 8.150 nan 0.000 0.442 63 R N -0.368 119.629 120.500 -0.837 0.000 2.083 63 R HA -0.166 4.173 4.340 -0.001 0.000 0.237 63 R C 1.999 178.105 176.300 -0.323 0.000 1.137 63 R CA 1.785 57.557 56.100 -0.545 0.000 0.951 63 R CB -0.257 29.765 30.300 -0.464 0.000 0.851 63 R HN 0.551 nan 8.270 nan 0.000 0.434 64 E N 0.492 120.531 120.200 -0.268 0.000 2.047 64 E HA -0.173 4.177 4.350 -0.001 0.000 0.191 64 E C 2.125 178.667 176.600 -0.097 0.000 0.987 64 E CA 1.307 57.621 56.400 -0.143 0.000 0.799 64 E CB -0.082 29.523 29.700 -0.159 0.000 0.752 64 E HN 0.435 nan 8.360 nan 0.000 0.449 65 L N 0.379 121.521 121.223 -0.136 0.000 2.249 65 L HA -0.045 4.294 4.340 -0.001 0.000 0.207 65 L C 2.492 179.422 176.870 0.099 0.000 1.090 65 L CA 0.186 55.006 54.840 -0.033 0.000 0.802 65 L CB -0.157 41.776 42.059 -0.209 0.000 0.947 65 L HN -0.055 nan 8.230 nan 0.000 0.453 66 V N 0.493 120.371 119.914 -0.061 0.000 2.358 66 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 66 V C 2.641 178.762 176.094 0.044 0.000 1.047 66 V CA 2.018 64.322 62.300 0.006 0.000 1.035 66 V CB -1.185 30.567 31.823 -0.118 0.000 0.658 66 V HN 0.551 nan 8.190 nan 0.000 0.452 67 G N -0.331 108.469 108.800 -0.001 0.000 2.432 67 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.219 67 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.219 67 G C 1.520 176.434 174.900 0.024 0.000 1.135 67 G CA 0.865 45.971 45.100 0.010 0.000 0.767 67 G HN 0.631 nan 8.290 nan 0.000 0.550 68 A N -0.501 122.360 122.820 0.069 0.000 2.238 68 A HA 0.475 4.794 4.320 -0.001 0.000 0.208 68 A C 1.953 179.526 177.584 -0.019 0.000 1.177 68 A CA 1.268 53.350 52.037 0.075 0.000 0.804 68 A CB -0.385 18.744 19.000 0.215 0.000 0.823 68 A HN 1.583 nan 8.150 nan 0.000 0.482 69 G N -2.405 106.397 108.800 0.003 0.000 2.159 69 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.227 69 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.227 69 G C -0.032 174.818 174.900 -0.083 0.000 0.986 69 G CA 0.080 45.140 45.100 -0.066 0.000 0.651 69 G HN 0.397 nan 8.290 nan 0.000 0.523 70 Y N 0.585 120.911 120.300 0.044 0.000 2.397 70 Y HA 0.408 4.957 4.550 -0.001 0.000 0.335 70 Y C 1.154 177.114 175.900 0.100 0.000 1.213 70 Y CA 0.150 58.285 58.100 0.060 0.000 1.391 70 Y CB 0.707 39.181 38.460 0.024 0.000 1.293 70 Y HN 0.078 nan 8.280 nan 0.000 0.557 71 K N 3.016 123.574 120.400 0.263 0.000 2.262 71 K HA 0.363 4.682 4.320 -0.001 0.000 0.288 71 K C -1.545 175.225 176.600 0.282 0.000 1.090 71 K CA -0.125 56.314 56.287 0.254 0.000 0.918 71 K CB -0.091 32.528 32.500 0.197 0.000 1.139 71 K HN 0.488 nan 8.250 nan 0.000 0.462 72 V N 3.317 123.371 119.914 0.235 0.000 2.459 72 V HA 0.552 4.671 4.120 -0.001 0.000 0.295 72 V C -0.145 175.861 176.094 -0.146 0.000 1.029 72 V CA -0.934 61.431 62.300 0.109 0.000 0.874 72 V CB 1.359 33.285 31.823 0.171 0.000 0.985 72 V HN 0.855 nan 8.190 nan 0.000 0.438 73 A N 5.778 128.323 122.820 -0.458 0.000 2.337 73 A HA 0.929 5.248 4.320 -0.001 0.000 0.329 73 A C -0.610 176.616 177.584 -0.596 0.000 1.146 73 A CA -0.636 50.892 52.037 -0.849 0.000 0.800 73 A CB 1.536 19.659 19.000 -1.462 0.000 1.220 73 A HN 0.908 nan 8.150 nan 0.000 0.472 74 M N 2.320 121.487 119.600 -0.723 0.000 2.326 74 M HA 0.715 5.194 4.480 -0.001 0.000 0.306 74 M C -2.147 173.827 176.300 -0.543 0.000 1.054 74 M CA -0.431 54.642 55.300 -0.379 0.000 0.922 74 M CB 1.105 33.682 32.600 -0.038 0.000 1.632 74 M HN 0.594 nan 8.290 nan 0.000 0.436 75 F N 2.480 122.433 119.950 0.004 0.000 2.469 75 F HA 0.520 5.046 4.527 -0.001 0.000 0.332 75 F C -0.047 175.761 175.800 0.014 0.000 1.103 75 F CA -0.498 57.528 58.000 0.042 0.000 0.979 75 F CB 1.337 40.349 39.000 0.019 0.000 1.137 75 F HN 0.457 nan 8.300 nan 0.000 0.463 76 D N 2.960 123.461 120.400 0.167 0.000 2.646 76 D HA 0.234 4.873 4.640 -0.001 0.000 0.245 76 D C 0.662 176.998 176.300 0.059 0.000 1.099 76 D CA -0.362 53.690 54.000 0.087 0.000 0.849 76 D CB 2.428 43.260 40.800 0.054 0.000 1.448 76 D HN 0.649 nan 8.370 nan 0.000 0.489 77 I N 2.007 122.566 120.570 -0.018 0.000 2.493 77 I HA -0.001 4.168 4.170 -0.001 0.000 0.254 77 I C 1.136 177.223 176.117 -0.049 0.000 1.160 77 I CA 0.879 62.122 61.300 -0.094 0.000 1.445 77 I CB 0.146 37.970 38.000 -0.292 0.000 1.086 77 I HN 0.340 nan 8.210 nan 0.000 0.433 78 G N -0.155 108.635 108.800 -0.016 0.000 2.532 78 G HA2 0.409 4.368 3.960 -0.001 0.000 0.291 78 G HA3 0.409 4.368 3.960 -0.001 0.000 0.291 78 G C -0.924 174.002 174.900 0.042 0.000 1.349 78 G CA -0.416 44.699 45.100 0.024 0.000 1.038 78 G HN 0.302 nan 8.290 nan 0.000 0.518 79 E N -1.415 118.814 120.200 0.050 0.000 2.359 79 E HA 0.365 4.714 4.350 -0.001 0.000 0.266 79 E C -0.563 176.066 176.600 0.049 0.000 0.920 79 E CA -0.741 55.689 56.400 0.050 0.000 0.788 79 E CB 2.617 32.348 29.700 0.053 0.000 1.279 79 E HN 0.275 nan 8.360 nan 0.000 0.438 80 I N 2.633 123.229 120.570 0.044 0.000 2.517 80 I HA -0.001 4.168 4.170 -0.001 0.000 0.285 80 I C -0.135 176.013 176.117 0.052 0.000 1.106 80 I CA 0.733 62.060 61.300 0.045 0.000 1.402 80 I CB 0.118 38.139 38.000 0.035 0.000 1.399 80 I HN 0.522 nan 8.210 nan 0.000 0.535 81 D N 2.578 123.015 120.400 0.063 0.000 3.279 81 D HA 0.026 4.665 4.640 -0.001 0.000 0.336 81 D C -0.153 176.203 176.300 0.094 0.000 1.512 81 D CA -0.320 53.724 54.000 0.072 0.000 0.754 81 D CB -0.173 40.668 40.800 0.069 0.000 1.278 81 D HN 0.224 nan 8.370 nan 0.000 0.553 82 S N -0.068 115.691 115.700 0.097 0.000 2.754 82 S HA 0.638 5.107 4.470 -0.001 0.000 0.247 82 S C 0.878 175.550 174.600 0.121 0.000 1.031 82 S CA 0.020 58.295 58.200 0.126 0.000 1.014 82 S CB 0.800 64.076 63.200 0.127 0.000 0.918 82 S HN 0.885 nan 8.310 nan 0.000 0.519 83 G N 1.485 110.344 108.800 0.099 0.000 2.632 83 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.224 83 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.224 83 G C 0.286 175.224 174.900 0.063 0.000 1.341 83 G CA -0.264 44.887 45.100 0.084 0.000 0.880 83 G HN 0.303 nan 8.290 nan 0.000 0.566 84 L N 0.159 121.414 121.223 0.053 0.000 2.395 84 L HA 0.130 4.469 4.340 -0.001 0.000 0.218 84 L C 1.454 178.341 176.870 0.028 0.000 1.130 84 L CA 0.874 55.734 54.840 0.033 0.000 0.826 84 L CB -0.296 41.777 42.059 0.023 0.000 0.941 84 L HN 0.312 nan 8.230 nan 0.000 0.451 85 K N 1.669 122.096 120.400 0.045 0.000 2.273 85 K HA 0.337 4.656 4.320 -0.001 0.000 0.287 85 K C -0.262 176.365 176.600 0.045 0.000 1.089 85 K CA -0.226 56.083 56.287 0.038 0.000 0.909 85 K CB 0.919 33.455 32.500 0.060 0.000 1.123 85 K HN 0.071 nan 8.250 nan 0.000 0.473 86 I N 2.031 122.613 120.570 0.020 0.000 2.618 86 I HA -0.047 4.122 4.170 -0.001 0.000 0.284 86 I C 1.361 177.503 176.117 0.042 0.000 1.146 86 I CA 0.627 61.945 61.300 0.029 0.000 1.425 86 I CB 0.465 38.472 38.000 0.012 0.000 1.383 86 I HN 0.955 nan 8.210 nan 0.000 0.562 87 G N 4.344 113.180 108.800 0.060 0.000 2.153 87 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.252 87 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.252 87 G C 0.327 175.284 174.900 0.095 0.000 0.994 87 G CA 0.153 45.293 45.100 0.067 0.000 0.698 87 G HN 0.968 nan 8.290 nan 0.000 0.521 88 A N -0.489 122.403 122.820 0.120 0.000 2.272 88 A HA 0.638 4.957 4.320 -0.001 0.000 0.275 88 A C 0.557 178.276 177.584 0.224 0.000 1.096 88 A CA -0.321 51.825 52.037 0.180 0.000 0.822 88 A CB 0.329 19.434 19.000 0.176 0.000 1.088 88 A HN 0.612 nan 8.150 nan 0.000 0.495 89 H N 0.336 119.545 119.070 0.232 0.000 2.803 89 H HA 0.128 4.683 4.556 -0.001 0.000 0.330 89 H C 0.628 176.098 175.328 0.237 0.000 1.057 89 H CA 0.645 56.849 56.048 0.259 0.000 1.458 89 H CB 0.872 30.803 29.762 0.282 0.000 1.470 89 H HN 0.671 nan 8.280 nan 0.000 0.560 90 K N 3.440 124.041 120.400 0.335 0.000 2.439 90 K HA -0.098 4.221 4.320 -0.001 0.000 0.197 90 K C 1.670 178.563 176.600 0.489 0.000 1.041 90 K CA 0.593 57.151 56.287 0.452 0.000 0.970 90 K CB 0.358 33.137 32.500 0.465 0.000 0.773 90 K HN 0.418 nan 8.250 nan 0.000 0.479 91 K N 0.974 121.539 120.400 0.274 0.000 2.486 91 K HA -0.000 4.319 4.320 -0.001 0.000 0.194 91 K C 0.319 176.952 176.600 0.056 0.000 1.033 91 K CA 0.475 56.587 56.287 -0.292 0.000 1.004 91 K CB 0.275 32.196 32.500 -0.965 0.000 0.798 91 K HN -0.016 nan 8.250 nan 0.000 0.495 92 N N 1.842 120.676 118.700 0.222 0.000 2.623 92 N HA -0.013 4.726 4.740 -0.001 0.000 0.263 92 N C -0.819 174.926 175.510 0.392 0.000 1.218 92 N CA 0.291 53.487 53.050 0.244 0.000 0.949 92 N CB 0.654 39.335 38.487 0.323 0.000 1.270 92 N HN 0.264 nan 8.380 nan 0.000 0.507 93 T N -4.301 110.461 114.554 0.346 0.000 2.918 93 T HA 0.348 4.697 4.350 -0.001 0.000 0.286 93 T C 1.483 176.382 174.700 0.331 0.000 1.026 93 T CA -0.779 61.511 62.100 0.317 0.000 1.031 93 T CB 1.702 70.702 68.868 0.219 0.000 1.046 93 T HN -0.185 nan 8.240 nan 0.000 0.479 94 V N 1.283 121.382 119.914 0.308 0.000 2.392 94 V HA -0.117 4.003 4.120 -0.001 0.000 0.249 94 V C 2.816 178.998 176.094 0.146 0.000 1.059 94 V CA 2.306 64.772 62.300 0.277 0.000 1.051 94 V CB -0.999 30.919 31.823 0.158 0.000 0.658 94 V HN 1.026 nan 8.190 nan 0.000 0.455 95 E N -0.215 120.013 120.200 0.047 0.000 2.077 95 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 95 E C 1.993 178.554 176.600 -0.065 0.000 0.989 95 E CA 1.711 58.073 56.400 -0.062 0.000 0.800 95 E CB -0.352 29.238 29.700 -0.182 0.000 0.746 95 E HN 0.682 nan 8.360 nan 0.000 0.452 96 Y N 0.596 120.972 120.300 0.127 0.000 2.373 96 Y HA -0.033 4.516 4.550 -0.001 0.000 0.293 96 Y C 2.205 178.134 175.900 0.047 0.000 1.129 96 Y CA 1.035 59.201 58.100 0.110 0.000 1.226 96 Y CB -0.107 38.435 38.460 0.135 0.000 1.000 96 Y HN 0.132 nan 8.280 nan 0.000 0.549 97 Q N 0.149 120.042 119.800 0.154 0.000 2.297 97 Q HA -0.097 4.242 4.340 -0.001 0.000 0.204 97 Q C 1.582 177.643 176.000 0.101 0.000 0.962 97 Q CA 0.978 56.820 55.803 0.066 0.000 0.879 97 Q CB -0.074 28.646 28.738 -0.029 0.000 0.947 97 Q HN 0.496 nan 8.270 nan 0.000 0.462 98 K N 0.347 120.813 120.400 0.111 0.000 2.400 98 K HA 0.084 4.404 4.320 -0.001 0.000 0.194 98 K C 0.353 177.009 176.600 0.093 0.000 1.033 98 K CA 0.226 56.566 56.287 0.089 0.000 1.021 98 K CB 0.500 33.042 32.500 0.069 0.000 0.808 98 K HN 0.082 nan 8.250 nan 0.000 0.505 99 N N 1.321 120.100 118.700 0.132 0.000 2.687 99 N HA 0.051 4.790 4.740 -0.001 0.000 0.275 99 N C 0.216 175.870 175.510 0.241 0.000 1.789 99 N CA 0.046 53.190 53.050 0.156 0.000 0.806 99 N CB 1.036 39.601 38.487 0.129 0.000 1.256 99 N HN 0.050 nan 8.380 nan 0.000 0.500 100 I N 0.260 120.948 120.570 0.196 0.000 2.394 100 I HA -0.176 3.993 4.170 -0.001 0.000 0.251 100 I C 0.765 177.009 176.117 0.212 0.000 1.136 100 I CA 1.574 62.990 61.300 0.193 0.000 1.425 100 I CB 0.314 38.384 38.000 0.117 0.000 1.079 100 I HN 0.082 nan 8.210 nan 0.000 0.425 101 D N 1.148 121.671 120.400 0.206 0.000 2.264 101 D HA -0.131 4.508 4.640 -0.001 0.000 0.208 101 D C 1.972 178.368 176.300 0.160 0.000 0.966 101 D CA 0.559 54.675 54.000 0.194 0.000 0.864 101 D CB -0.053 40.893 40.800 0.243 0.000 0.933 101 D HN 0.297 nan 8.370 nan 0.000 0.499 102 K N 0.221 120.751 120.400 0.217 0.000 2.280 102 K HA -0.111 4.208 4.320 -0.001 0.000 0.202 102 K C 1.783 178.471 176.600 0.147 0.000 1.047 102 K CA 0.119 56.540 56.287 0.224 0.000 0.942 102 K CB -0.495 32.220 32.500 0.359 0.000 0.739 102 K HN 0.228 nan 8.250 nan 0.000 0.457 103 F N 1.844 121.748 119.950 -0.077 0.000 2.333 103 F HA -0.188 4.339 4.527 -0.001 0.000 0.300 103 F C 1.893 177.561 175.800 -0.220 0.000 1.083 103 F CA 0.647 58.429 58.000 -0.364 0.000 1.395 103 F CB -0.161 38.599 39.000 -0.400 0.000 1.056 103 F HN -0.168 nan 8.300 nan 0.000 0.529 104 V N -1.392 118.439 119.914 -0.138 0.000 2.392 104 V HA -0.330 3.789 4.120 -0.001 0.000 0.249 104 V C 1.838 177.752 176.094 -0.301 0.000 1.059 104 V CA 2.422 64.592 62.300 -0.216 0.000 1.051 104 V CB -1.477 30.228 31.823 -0.197 0.000 0.658 104 V HN 0.350 nan 8.190 nan 0.000 0.455 105 N N 0.822 119.371 118.700 -0.251 0.000 2.166 105 N HA -0.099 4.641 4.740 -0.001 0.000 0.186 105 N C 1.664 176.991 175.510 -0.306 0.000 1.019 105 N CA 1.521 54.441 53.050 -0.217 0.000 0.856 105 N CB -0.410 38.013 38.487 -0.107 0.000 0.993 105 N HN 0.430 nan 8.380 nan 0.000 0.426 106 V N 1.153 120.755 119.914 -0.520 0.000 2.358 106 V HA -0.188 3.932 4.120 -0.001 0.000 0.246 106 V C 2.023 177.774 176.094 -0.571 0.000 1.047 106 V CA 1.370 63.304 62.300 -0.611 0.000 1.035 106 V CB -0.476 30.681 31.823 -1.110 0.000 0.658 106 V HN 0.293 nan 8.190 nan 0.000 0.452 107 I N -0.210 119.943 120.570 -0.695 0.000 2.127 107 I HA -0.338 3.831 4.170 -0.001 0.000 0.241 107 I C 2.707 178.570 176.117 -0.423 0.000 1.075 107 I CA 1.827 62.765 61.300 -0.602 0.000 1.334 107 I CB -0.460 37.253 38.000 -0.478 0.000 1.040 107 I HN 0.346 nan 8.210 nan 0.000 0.405 108 Q N 0.416 120.028 119.800 -0.314 0.000 2.124 108 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 108 Q C 2.309 178.207 176.000 -0.169 0.000 0.977 108 Q CA 1.483 57.156 55.803 -0.216 0.000 0.850 108 Q CB -0.450 28.178 28.738 -0.184 0.000 0.901 108 Q HN 0.651 nan 8.270 nan 0.000 0.429 109 G N 1.257 109.953 108.800 -0.173 0.000 2.535 109 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.218 109 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.218 109 G C 0.982 175.833 174.900 -0.082 0.000 1.122 109 G CA 0.733 45.767 45.100 -0.111 0.000 0.769 109 G HN 0.487 nan 8.290 nan 0.000 0.549 110 Q N -0.766 118.969 119.800 -0.110 0.000 2.110 110 Q HA 0.424 4.763 4.340 -0.001 0.000 0.232 110 Q C -0.233 175.752 176.000 -0.025 0.000 0.810 110 Q CA -0.288 55.490 55.803 -0.041 0.000 1.083 110 Q CB 0.194 28.931 28.738 -0.002 0.000 1.193 110 Q HN 0.244 nan 8.270 nan 0.000 0.471 111 L N 2.030 123.214 121.223 -0.066 0.000 2.295 111 L HA 0.522 4.861 4.340 -0.001 0.000 0.281 111 L C -0.926 175.943 176.870 -0.002 0.000 1.018 111 L CA -0.818 54.005 54.840 -0.027 0.000 0.841 111 L CB 1.267 43.279 42.059 -0.078 0.000 1.218 111 L HN 0.193 nan 8.230 nan 0.000 0.424 112 M N 2.111 121.736 119.600 0.041 0.000 2.180 112 M HA 0.277 4.757 4.480 -0.001 0.000 0.350 112 M C 0.260 176.594 176.300 0.057 0.000 1.125 112 M CA 0.050 55.382 55.300 0.052 0.000 1.031 112 M CB 1.654 34.307 32.600 0.089 0.000 1.623 112 M HN 0.313 nan 8.290 nan 0.000 0.451 113 S N 1.775 117.497 115.700 0.037 0.000 2.549 113 S HA 0.115 4.585 4.470 -0.001 0.000 0.286 113 S C 1.434 176.068 174.600 0.056 0.000 1.314 113 S CA -0.619 57.602 58.200 0.035 0.000 1.062 113 S CB 0.623 63.832 63.200 0.015 0.000 0.865 113 S HN 0.584 nan 8.310 nan 0.000 0.498 114 V N 2.420 122.379 119.914 0.075 0.000 2.323 114 V HA 0.020 4.139 4.120 -0.001 0.000 0.244 114 V C 1.163 177.269 176.094 0.020 0.000 1.041 114 V CA 1.341 63.684 62.300 0.072 0.000 1.025 114 V CB 0.057 31.968 31.823 0.147 0.000 0.656 114 V HN 0.784 nan 8.190 nan 0.000 0.451 115 S N -0.466 115.264 115.700 0.051 0.000 2.750 115 S HA 0.517 4.986 4.470 -0.001 0.000 0.276 115 S C -1.128 173.476 174.600 0.007 0.000 1.165 115 S CA -0.464 57.728 58.200 -0.012 0.000 1.047 115 S CB 1.470 64.627 63.200 -0.071 0.000 1.056 115 S HN 0.004 nan 8.310 nan 0.000 0.481 116 V N 7.944 127.848 119.914 -0.017 0.000 2.347 116 V HA 0.548 4.667 4.120 -0.001 0.000 0.280 116 V C -1.862 174.212 176.094 -0.033 0.000 1.021 116 V CA -1.746 60.541 62.300 -0.021 0.000 0.847 116 V CB 1.386 33.196 31.823 -0.021 0.000 0.990 116 V HN 0.709 nan 8.190 nan 0.000 0.444 117 P HA 0.177 nan 4.420 nan 0.000 0.274 117 P C -0.190 177.080 177.300 -0.050 0.000 1.256 117 P CA -0.165 62.911 63.100 -0.040 0.000 0.795 117 P CB 0.995 32.673 31.700 -0.036 0.000 1.038 118 V N 2.113 121.998 119.914 -0.048 0.000 2.599 118 V HA -0.027 4.092 4.120 -0.001 0.000 0.300 118 V C 1.258 177.290 176.094 -0.104 0.000 1.034 118 V CA 0.187 62.452 62.300 -0.059 0.000 1.115 118 V CB -0.653 31.155 31.823 -0.025 0.000 0.934 118 V HN 0.622 nan 8.190 nan 0.000 0.485 119 N N 3.532 122.161 118.700 -0.118 0.000 2.458 119 N HA 0.119 4.858 4.740 -0.001 0.000 0.270 119 N C 0.564 175.872 175.510 -0.337 0.000 1.102 119 N CA 0.305 53.258 53.050 -0.162 0.000 0.967 119 N CB 1.633 40.061 38.487 -0.098 0.000 1.078 119 N HN 0.863 nan 8.380 nan 0.000 0.471 120 T N 1.077 115.310 114.554 -0.534 0.000 3.252 120 T HA 0.148 4.497 4.350 -0.001 0.000 0.286 120 T C 0.540 174.730 174.700 -0.850 0.000 1.013 120 T CA -0.530 60.807 62.100 -1.272 0.000 0.914 120 T CB -0.256 68.061 68.868 -0.919 0.000 1.131 120 T HN 0.282 nan 8.240 nan 0.000 0.529 121 L N 2.616 123.634 121.223 -0.341 0.000 2.453 121 L HA 0.486 4.825 4.340 -0.001 0.000 0.272 121 L C -0.290 176.641 176.870 0.101 0.000 1.182 121 L CA -0.219 54.562 54.840 -0.099 0.000 0.858 121 L CB 0.815 42.850 42.059 -0.041 0.000 1.120 121 L HN 0.118 nan 8.230 nan 0.000 0.474 122 V N 6.149 126.146 119.914 0.138 0.000 2.406 122 V HA 0.308 4.427 4.120 -0.001 0.000 0.272 122 V C -0.176 175.990 176.094 0.120 0.000 1.043 122 V CA -0.577 61.853 62.300 0.216 0.000 0.915 122 V CB 1.374 33.300 31.823 0.173 0.000 0.988 122 V HN 0.544 nan 8.190 nan 0.000 0.466 123 V N 5.271 125.253 119.914 0.113 0.000 2.313 123 V HA 0.354 4.474 4.120 -0.001 0.000 0.278 123 V C 0.188 176.309 176.094 0.046 0.000 1.017 123 V CA -0.426 61.915 62.300 0.068 0.000 0.823 123 V CB 1.399 33.262 31.823 0.067 0.000 1.010 123 V HN 1.068 nan 8.190 nan 0.000 0.443 124 D N 2.051 122.471 120.400 0.034 0.000 2.501 124 D HA 0.013 4.652 4.640 -0.001 0.000 0.224 124 D C 1.066 177.373 176.300 0.012 0.000 1.202 124 D CA 0.248 54.258 54.000 0.017 0.000 0.829 124 D CB 0.435 41.245 40.800 0.016 0.000 1.023 124 D HN 0.549 nan 8.370 nan 0.000 0.499 125 T N -1.859 112.705 114.554 0.017 0.000 3.228 125 T HA 0.333 4.682 4.350 -0.001 0.000 0.278 125 T C 0.675 175.385 174.700 0.016 0.000 1.014 125 T CA -0.549 61.559 62.100 0.014 0.000 0.904 125 T CB -0.285 68.592 68.868 0.016 0.000 1.110 125 T HN 0.019 nan 8.240 nan 0.000 0.541 126 L N 2.034 123.267 121.223 0.017 0.000 2.483 126 L HA 0.289 4.628 4.340 -0.001 0.000 0.275 126 L C 1.175 178.053 176.870 0.014 0.000 1.220 126 L CA -0.484 54.368 54.840 0.021 0.000 0.833 126 L CB 0.367 42.440 42.059 0.024 0.000 1.102 126 L HN 0.263 nan 8.230 nan 0.000 0.490 127 S N 1.900 117.611 115.700 0.019 0.000 2.558 127 S HA 0.079 4.548 4.470 -0.001 0.000 0.288 127 S C -1.417 173.188 174.600 0.008 0.000 1.318 127 S CA -1.004 57.205 58.200 0.014 0.000 1.056 127 S CB 0.758 63.970 63.200 0.020 0.000 0.853 127 S HN 0.406 nan 8.310 nan 0.000 0.505 128 P HA -0.065 nan 4.420 nan 0.000 0.221 128 P C 1.343 178.641 177.300 -0.003 0.000 1.145 128 P CA 1.269 64.364 63.100 -0.008 0.000 0.795 128 P CB -0.206 31.489 31.700 -0.009 0.000 0.775 129 T N -5.519 109.043 114.554 0.012 0.000 3.067 129 T HA 0.083 4.433 4.350 -0.001 0.000 0.261 129 T C 1.014 175.744 174.700 0.049 0.000 1.110 129 T CA 0.075 62.190 62.100 0.025 0.000 1.113 129 T CB -0.633 68.252 68.868 0.028 0.000 0.917 129 T HN -0.108 nan 8.240 nan 0.000 0.499 130 S N 1.533 117.264 115.700 0.052 0.000 2.549 130 S HA 0.265 4.734 4.470 -0.001 0.000 0.279 130 S C -0.517 174.153 174.600 0.117 0.000 1.321 130 S CA -0.977 57.279 58.200 0.094 0.000 1.054 130 S CB 0.061 63.311 63.200 0.083 0.000 0.899 130 S HN 0.603 nan 8.310 nan 0.000 0.497 131 W N 3.473 124.777 121.300 0.007 0.000 2.264 131 W HA 0.131 4.790 4.660 -0.001 0.000 0.331 131 W C 0.019 176.547 176.519 0.014 0.000 1.364 131 W CA 0.331 57.679 57.345 0.004 0.000 1.253 131 W CB 0.365 29.827 29.460 0.003 0.000 1.215 131 W HN 0.392 nan 8.180 nan 0.000 0.561 132 Q N 4.637 124.042 119.800 -0.658 0.000 2.331 132 Q HA 0.486 4.826 4.340 -0.001 0.000 0.272 132 Q C -0.390 174.865 176.000 -1.242 0.000 1.062 132 Q CA -0.721 54.680 55.803 -0.670 0.000 0.806 132 Q CB 1.902 30.459 28.738 -0.302 0.000 1.312 132 Q HN 0.612 nan 8.270 nan 0.000 0.431 133 A N 1.282 123.556 122.820 -0.910 0.000 2.366 133 A HA 0.304 4.623 4.320 -0.001 0.000 0.249 133 A C 0.847 178.229 177.584 -0.336 0.000 1.084 133 A CA 0.001 51.711 52.037 -0.546 0.000 0.794 133 A CB 0.416 19.437 19.000 0.036 0.000 1.034 133 A HN 0.723 nan 8.150 nan 0.000 0.491 134 S N -0.676 114.871 115.700 -0.256 0.000 2.558 134 S HA 0.116 4.585 4.470 -0.001 0.000 0.217 134 S C 0.792 175.280 174.600 -0.187 0.000 0.975 134 S CA 0.883 58.959 58.200 -0.206 0.000 0.912 134 S CB -0.354 62.753 63.200 -0.154 0.000 0.776 134 S HN 1.115 nan 8.310 nan 0.000 0.526 135 T N -1.750 112.723 114.554 -0.135 0.000 2.841 135 T HA 0.620 4.970 4.350 -0.001 0.000 0.296 135 T C -0.926 173.738 174.700 -0.061 0.000 1.166 135 T CA -0.751 61.286 62.100 -0.104 0.000 1.007 135 T CB 0.720 69.626 68.868 0.063 0.000 1.253 135 T HN -0.095 nan 8.240 nan 0.000 0.511 136 F N 3.040 123.073 119.950 0.137 0.000 2.499 136 F HA 0.411 4.937 4.527 -0.001 0.000 0.353 136 F C 0.373 176.221 175.800 0.079 0.000 1.196 136 F CA -1.699 56.342 58.000 0.069 0.000 1.244 136 F CB -0.759 38.248 39.000 0.013 0.000 1.577 136 F HN 0.566 nan 8.300 nan 0.000 0.614 137 F N -0.511 119.546 119.950 0.178 0.000 2.368 137 F HA 0.606 5.133 4.527 -0.001 0.000 0.308 137 F C -0.093 175.781 175.800 0.123 0.000 1.198 137 F CA -1.658 56.421 58.000 0.131 0.000 1.130 137 F CB -0.185 38.881 39.000 0.110 0.000 1.300 137 F HN -0.164 nan 8.300 nan 0.000 0.537 138 V N 2.673 122.693 119.914 0.176 0.000 2.421 138 V HA 0.294 4.414 4.120 -0.001 0.000 0.271 138 V C 0.105 176.185 176.094 -0.022 0.000 1.031 138 V CA -0.049 62.280 62.300 0.048 0.000 1.032 138 V CB -0.569 31.319 31.823 0.107 0.000 1.009 138 V HN 0.709 nan 8.190 nan 0.000 0.477 139 R N 3.915 124.308 120.500 -0.177 0.000 2.725 139 R HA 0.451 4.790 4.340 -0.001 0.000 0.277 139 R C 0.042 176.286 176.300 -0.093 0.000 0.987 139 R CA -0.893 55.071 56.100 -0.226 0.000 0.901 139 R CB 1.404 31.433 30.300 -0.451 0.000 1.207 139 R HN 0.697 nan 8.270 nan 0.000 0.463 140 N N 0.864 119.540 118.700 -0.041 0.000 2.735 140 N HA -0.188 4.551 4.740 -0.001 0.000 0.248 140 N C 0.464 175.961 175.510 -0.022 0.000 1.083 140 N CA 1.544 54.578 53.050 -0.027 0.000 0.703 140 N CB -1.111 37.353 38.487 -0.038 0.000 1.005 140 N HN 1.093 nan 8.380 nan 0.000 0.550 141 G N -1.695 107.097 108.800 -0.013 0.000 2.148 141 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.254 141 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.254 141 G C 0.304 175.196 174.900 -0.014 0.000 0.981 141 G CA 0.918 46.013 45.100 -0.008 0.000 0.670 141 G HN 1.302 nan 8.290 nan 0.000 0.528 142 S N -0.599 115.086 115.700 -0.025 0.000 2.584 142 S HA 0.467 4.936 4.470 -0.001 0.000 0.270 142 S C 0.135 174.721 174.600 -0.024 0.000 1.346 142 S CA 0.050 58.232 58.200 -0.030 0.000 1.018 142 S CB 1.769 64.942 63.200 -0.045 0.000 0.899 142 S HN 0.662 nan 8.310 nan 0.000 0.542 143 N N 2.022 120.701 118.700 -0.035 0.000 2.546 143 N HA 0.358 5.098 4.740 -0.001 0.000 0.238 143 N C -1.681 173.809 175.510 -0.035 0.000 0.984 143 N CA -2.541 50.481 53.050 -0.047 0.000 0.935 143 N CB 1.262 39.694 38.487 -0.092 0.000 1.122 143 N HN 0.366 nan 8.380 nan 0.000 0.510 144 P HA -0.048 nan 4.420 nan 0.000 0.230 144 P C 0.266 177.582 177.300 0.026 0.000 1.158 144 P CA 0.808 63.919 63.100 0.019 0.000 0.769 144 P CB 0.584 32.311 31.700 0.045 0.000 0.807 145 E N -0.126 120.073 120.200 -0.002 0.000 2.274 145 E HA -0.094 4.255 4.350 -0.001 0.000 0.194 145 E C 0.923 177.518 176.600 -0.008 0.000 0.996 145 E CA 0.573 56.987 56.400 0.023 0.000 0.840 145 E CB -0.147 29.500 29.700 -0.090 0.000 0.772 145 E HN 0.304 nan 8.360 nan 0.000 0.491 146 Q N 2.314 122.077 119.800 -0.063 0.000 2.307 146 Q HA 0.022 4.361 4.340 -0.001 0.000 0.259 146 Q C -0.805 175.197 176.000 0.003 0.000 0.998 146 Q CA -0.163 55.604 55.803 -0.061 0.000 0.923 146 Q CB 0.668 29.359 28.738 -0.078 0.000 1.196 146 Q HN -0.189 nan 8.270 nan 0.000 0.416 147 D N 6.071 126.495 120.400 0.040 0.000 2.382 147 D HA 0.025 4.665 4.640 -0.001 0.000 0.259 147 D C -1.664 174.650 176.300 0.023 0.000 1.224 147 D CA -1.749 52.276 54.000 0.042 0.000 0.894 147 D CB 1.253 42.093 40.800 0.065 0.000 1.127 147 D HN 0.437 nan 8.370 nan 0.000 0.487 148 P HA -0.085 nan 4.420 nan 0.000 0.225 148 P C 1.277 178.577 177.300 0.001 0.000 1.148 148 P CA 0.691 63.787 63.100 -0.007 0.000 0.779 148 P CB 0.338 32.022 31.700 -0.027 0.000 0.780 149 L N -1.279 119.949 121.223 0.008 0.000 2.607 149 L HA 0.175 4.514 4.340 -0.001 0.000 0.228 149 L C 1.508 178.390 176.870 0.021 0.000 1.123 149 L CA 0.246 55.092 54.840 0.010 0.000 0.890 149 L CB -0.106 41.955 42.059 0.004 0.000 1.103 149 L HN -0.171 nan 8.230 nan 0.000 0.468 150 R N -0.112 120.410 120.500 0.037 0.000 2.734 150 R HA 0.211 4.551 4.340 -0.001 0.000 0.395 150 R C -0.424 175.932 176.300 0.094 0.000 1.096 150 R CA -0.263 55.871 56.100 0.058 0.000 1.071 150 R CB 0.310 30.648 30.300 0.063 0.000 1.348 150 R HN 0.044 nan 8.270 nan 0.000 0.600 151 N N 0.590 119.323 118.700 0.055 0.000 2.459 151 N HA 0.371 5.110 4.740 -0.001 0.000 0.288 151 N C -0.741 174.688 175.510 -0.136 0.000 1.186 151 N CA -0.634 52.433 53.050 0.028 0.000 0.917 151 N CB 1.207 39.707 38.487 0.021 0.000 1.219 151 N HN 0.083 nan 8.380 nan 0.000 0.525 152 L N 2.044 123.015 121.223 -0.420 0.000 2.417 152 L HA 0.231 4.571 4.340 -0.001 0.000 0.258 152 L C 1.395 178.076 176.870 -0.315 0.000 1.088 152 L CA -0.312 54.166 54.840 -0.604 0.000 0.975 152 L CB 0.528 41.836 42.059 -1.252 0.000 1.341 152 L HN 0.637 nan 8.230 nan 0.000 0.431 153 S N -0.122 115.490 115.700 -0.146 0.000 2.423 153 S HA -0.095 4.374 4.470 -0.001 0.000 0.231 153 S C 1.731 176.294 174.600 -0.062 0.000 1.014 153 S CA 0.891 59.052 58.200 -0.064 0.000 0.965 153 S CB -0.108 63.069 63.200 -0.039 0.000 0.785 153 S HN 0.640 nan 8.310 nan 0.000 0.495 154 G N 0.357 109.105 108.800 -0.087 0.000 2.880 154 G HA2 0.115 4.074 3.960 -0.001 0.000 0.209 154 G HA3 0.115 4.074 3.960 -0.001 0.000 0.209 154 G C 0.531 175.394 174.900 -0.062 0.000 1.157 154 G CA -0.322 44.740 45.100 -0.063 0.000 0.779 154 G HN 0.349 nan 8.290 nan 0.000 0.539 155 Q N 0.604 120.341 119.800 -0.104 0.000 2.337 155 Q HA 0.516 4.855 4.340 -0.001 0.000 0.270 155 Q C -0.197 175.818 176.000 0.024 0.000 1.002 155 Q CA 0.276 56.041 55.803 -0.063 0.000 0.888 155 Q CB 1.421 30.085 28.738 -0.124 0.000 1.222 155 Q HN 0.278 nan 8.270 nan 0.000 0.400 156 A N 2.013 124.858 122.820 0.041 0.000 2.594 156 A HA 0.686 5.006 4.320 -0.001 0.000 0.295 156 A C -1.025 176.602 177.584 0.072 0.000 1.071 156 A CA -0.578 51.490 52.037 0.052 0.000 0.685 156 A CB 1.307 20.324 19.000 0.029 0.000 1.285 156 A HN 0.471 nan 8.150 nan 0.000 0.405 157 V N -1.532 118.436 119.914 0.091 0.000 2.864 157 V HA 0.952 5.072 4.120 -0.001 0.000 0.314 157 V C -0.411 175.768 176.094 0.142 0.000 1.073 157 V CA -0.503 61.871 62.300 0.124 0.000 0.956 157 V CB 1.670 33.591 31.823 0.163 0.000 1.023 157 V HN 0.880 nan 8.190 nan 0.000 0.435 158 T N 3.222 117.867 114.554 0.152 0.000 2.809 158 T HA 0.572 4.922 4.350 -0.001 0.000 0.284 158 T C -0.313 174.454 174.700 0.113 0.000 0.992 158 T CA -0.439 61.745 62.100 0.141 0.000 0.957 158 T CB 1.038 70.019 68.868 0.188 0.000 0.942 158 T HN 0.767 nan 8.240 nan 0.000 0.439 159 R N 2.657 123.212 120.500 0.091 0.000 2.396 159 R HA 0.609 4.948 4.340 -0.001 0.000 0.292 159 R C -0.727 175.605 176.300 0.053 0.000 1.240 159 R CA -0.580 55.549 56.100 0.050 0.000 1.270 159 R CB 0.821 31.133 30.300 0.021 0.000 1.108 159 R HN 0.538 nan 8.270 nan 0.000 0.573 160 V N -1.713 118.231 119.914 0.050 0.000 3.204 160 V HA 0.428 4.547 4.120 -0.001 0.000 0.298 160 V C -0.175 175.946 176.094 0.044 0.000 1.328 160 V CA -1.150 61.182 62.300 0.053 0.000 1.035 160 V CB 1.892 33.754 31.823 0.065 0.000 1.095 160 V HN 0.124 nan 8.190 nan 0.000 0.442 161 V N 3.067 123.008 119.914 0.046 0.000 2.585 161 V HA 0.522 4.642 4.120 -0.001 0.000 0.296 161 V C 1.734 177.853 176.094 0.042 0.000 1.035 161 V CA 1.912 64.239 62.300 0.045 0.000 1.084 161 V CB 0.196 32.048 31.823 0.047 0.000 0.953 161 V HN 2.147 nan 8.190 nan 0.000 0.483 162 G N 3.307 112.127 108.800 0.033 0.000 2.217 162 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.246 162 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.246 162 G C 1.032 175.915 174.900 -0.029 0.000 0.990 162 G CA 0.350 45.458 45.100 0.013 0.000 0.627 162 G HN 2.115 nan 8.290 nan 0.000 0.522 163 G N 0.188 108.982 108.800 -0.011 0.000 2.594 163 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.297 163 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.297 163 G C 1.206 176.057 174.900 -0.082 0.000 1.273 163 G CA 1.378 46.465 45.100 -0.021 0.000 0.974 163 G HN 1.116 nan 8.290 nan 0.000 0.552 164 M N 1.553 121.065 119.600 -0.147 0.000 2.557 164 M HA 0.008 4.487 4.480 -0.001 0.000 0.259 164 M C 2.716 178.671 176.300 -0.575 0.000 1.086 164 M CA 1.694 56.772 55.300 -0.371 0.000 1.096 164 M CB -0.202 32.266 32.600 -0.219 0.000 1.424 164 M HN 0.709 nan 8.290 nan 0.000 0.488 165 S N -0.259 115.161 115.700 -0.468 0.000 2.555 165 S HA -0.077 4.392 4.470 -0.001 0.000 0.230 165 S C 1.753 176.234 174.600 -0.199 0.000 0.978 165 S CA 1.229 59.054 58.200 -0.625 0.000 0.934 165 S CB -0.922 61.938 63.200 -0.567 0.000 0.766 165 S HN 0.584 nan 8.310 nan 0.000 0.533 166 T N -0.573 113.866 114.554 -0.191 0.000 3.072 166 T HA -0.030 4.319 4.350 -0.001 0.000 0.266 166 T C 1.436 175.964 174.700 -0.287 0.000 1.127 166 T CA 1.012 63.021 62.100 -0.151 0.000 1.107 166 T CB -0.698 68.173 68.868 0.005 0.000 0.910 166 T HN 0.907 nan 8.240 nan 0.000 0.513 167 H N -2.052 116.936 119.070 -0.137 0.000 3.680 167 H HA 0.200 4.756 4.556 -0.001 0.000 0.260 167 H C 0.551 176.087 175.328 0.346 0.000 1.183 167 H CA -0.986 55.121 56.048 0.098 0.000 1.159 167 H CB -0.506 29.330 29.762 0.123 0.000 1.567 167 H HN 0.496 nan 8.280 nan 0.000 0.648 168 W N 2.818 124.062 121.300 -0.093 0.000 2.042 168 W HA 0.274 4.933 4.660 -0.001 0.000 0.358 168 W C 0.080 176.688 176.519 0.149 0.000 1.325 168 W CA -0.040 57.346 57.345 0.069 0.000 1.311 168 W CB -0.246 29.184 29.460 -0.050 0.000 1.210 168 W HN -0.181 nan 8.180 nan 0.000 0.620 169 T N 0.888 115.400 114.554 -0.071 0.000 3.055 169 T HA -0.024 4.325 4.350 -0.001 0.000 0.265 169 T C 1.043 175.339 174.700 -0.675 0.000 1.111 169 T CA 1.232 63.131 62.100 -0.336 0.000 1.118 169 T CB -0.522 68.306 68.868 -0.066 0.000 0.909 169 T HN 0.668 nan 8.240 nan 0.000 0.501 170 C N 0.996 119.548 119.300 -1.247 0.000 4.552 170 C HA -0.099 4.360 4.460 -0.001 0.000 0.268 170 C C 1.087 175.597 174.990 -0.799 0.000 1.288 170 C CA -0.761 57.251 59.018 -1.676 0.000 1.776 170 C CB -2.711 24.512 27.740 -0.862 0.000 1.415 170 C HN 0.770 nan 8.230 nan 0.000 0.729 171 A N 1.056 123.598 122.820 -0.463 0.000 2.404 171 A HA 0.582 4.901 4.320 -0.001 0.000 0.273 171 A C 0.770 178.265 177.584 -0.148 0.000 1.144 171 A CA 1.075 52.987 52.037 -0.208 0.000 0.806 171 A CB 0.204 19.141 19.000 -0.105 0.000 1.080 171 A HN 1.422 nan 8.150 nan 0.000 0.509 172 T N 1.388 115.878 114.554 -0.107 0.000 3.542 172 T HA 0.496 4.846 4.350 -0.001 0.000 0.276 172 T C -2.758 171.907 174.700 -0.059 0.000 1.412 172 T CA -1.390 60.692 62.100 -0.031 0.000 1.664 172 T CB 0.587 69.468 68.868 0.022 0.000 0.863 172 T HN 0.446 nan 8.240 nan 0.000 0.661 173 P HA 0.377 nan 4.420 nan 0.000 0.278 173 P C -0.201 176.973 177.300 -0.209 0.000 1.238 173 P CA -0.590 62.422 63.100 -0.148 0.000 0.794 173 P CB 1.126 32.707 31.700 -0.198 0.000 0.955 174 R N 1.214 121.504 120.500 -0.351 0.000 2.539 174 R HA 0.342 4.681 4.340 -0.001 0.000 0.275 174 R C 0.119 176.298 176.300 -0.201 0.000 1.077 174 R CA -0.368 55.331 56.100 -0.668 0.000 1.097 174 R CB 0.129 29.909 30.300 -0.867 0.000 1.018 174 R HN 0.378 nan 8.270 nan 0.000 0.483 175 F N 2.206 121.926 119.950 -0.384 0.000 2.412 175 F HA 0.033 4.560 4.527 -0.001 0.000 0.348 175 F C 1.000 176.618 175.800 -0.304 0.000 1.102 175 F CA -1.392 56.417 58.000 -0.319 0.000 1.196 175 F CB 0.286 39.096 39.000 -0.317 0.000 1.144 175 F HN 0.548 nan 8.300 nan 0.000 0.541 176 D N 2.648 122.973 120.400 -0.125 0.000 2.398 176 D HA 0.126 4.765 4.640 -0.001 0.000 0.247 176 D C 1.048 177.262 176.300 -0.143 0.000 1.227 176 D CA -0.421 53.506 54.000 -0.121 0.000 0.980 176 D CB 0.548 41.292 40.800 -0.094 0.000 1.106 176 D HN 0.478 nan 8.370 nan 0.000 0.493 177 R N -0.028 120.413 120.500 -0.098 0.000 2.103 177 R HA -0.192 4.147 4.340 -0.001 0.000 0.242 177 R C 1.983 178.227 176.300 -0.092 0.000 1.142 177 R CA 2.063 58.111 56.100 -0.086 0.000 0.960 177 R CB -0.390 29.893 30.300 -0.028 0.000 0.858 177 R HN 0.654 nan 8.270 nan 0.000 0.439 178 E N 0.593 120.738 120.200 -0.091 0.000 2.209 178 E HA -0.229 4.121 4.350 -0.001 0.000 0.196 178 E C 1.647 178.145 176.600 -0.169 0.000 0.993 178 E CA 1.049 57.401 56.400 -0.080 0.000 0.819 178 E CB -0.082 29.617 29.700 -0.001 0.000 0.745 178 E HN 0.490 nan 8.360 nan 0.000 0.477 179 Q N 0.054 119.657 119.800 -0.328 0.000 2.356 179 Q HA 0.125 4.465 4.340 -0.001 0.000 0.205 179 Q C 0.461 176.342 176.000 -0.198 0.000 0.901 179 Q CA -0.116 55.415 55.803 -0.453 0.000 0.938 179 Q CB 0.529 28.686 28.738 -0.968 0.000 1.081 179 Q HN 0.011 nan 8.270 nan 0.000 0.517 180 R N 2.162 122.598 120.500 -0.107 0.000 2.393 180 R HA 0.297 4.636 4.340 -0.001 0.000 0.310 180 R C -2.579 173.694 176.300 -0.045 0.000 0.968 180 R CA -2.120 53.919 56.100 -0.102 0.000 0.867 180 R CB 1.035 31.102 30.300 -0.389 0.000 1.124 180 R HN -0.123 nan 8.270 nan 0.000 0.450 181 P HA 0.025 nan 4.420 nan 0.000 0.272 181 P C -0.555 176.924 177.300 0.299 0.000 1.223 181 P CA -0.054 63.140 63.100 0.157 0.000 0.784 181 P CB 0.694 32.505 31.700 0.185 0.000 0.923 182 L N 2.858 124.205 121.223 0.207 0.000 2.367 182 L HA 0.149 4.488 4.340 -0.001 0.000 0.275 182 L C 1.717 178.717 176.870 0.215 0.000 1.129 182 L CA -0.167 54.850 54.840 0.295 0.000 0.839 182 L CB 0.224 42.482 42.059 0.332 0.000 1.133 182 L HN 0.362 nan 8.230 nan 0.000 0.453 183 L N 3.693 125.090 121.223 0.289 0.000 2.470 183 L HA 0.194 4.533 4.340 -0.001 0.000 0.219 183 L C -0.135 176.904 176.870 0.281 0.000 1.071 183 L CA 0.249 55.150 54.840 0.103 0.000 0.850 183 L CB 0.645 42.555 42.059 -0.248 0.000 1.040 183 L HN 0.325 nan 8.230 nan 0.000 0.475 184 V N 1.452 121.540 119.914 0.290 0.000 2.483 184 V HA 0.207 4.327 4.120 -0.001 0.000 0.297 184 V C -0.278 175.921 176.094 0.176 0.000 1.027 184 V CA -1.006 61.408 62.300 0.190 0.000 0.855 184 V CB 1.575 33.456 31.823 0.097 0.000 0.995 184 V HN 0.190 nan 8.190 nan 0.000 0.424 185 K N 2.535 122.923 120.400 -0.020 0.000 2.218 185 K HA 0.415 4.735 4.320 -0.001 0.000 0.276 185 K C -0.352 176.218 176.600 -0.050 0.000 1.022 185 K CA -0.383 55.841 56.287 -0.104 0.000 0.946 185 K CB 0.813 33.028 32.500 -0.475 0.000 1.000 185 K HN 0.594 nan 8.250 nan 0.000 0.468 186 D N 0.593 120.991 120.400 -0.004 0.000 2.981 186 D HA -0.150 4.490 4.640 -0.001 0.000 0.223 186 D C -0.894 175.416 176.300 0.016 0.000 1.151 186 D CA 1.510 55.511 54.000 0.002 0.000 0.827 186 D CB -0.801 39.984 40.800 -0.025 0.000 1.101 186 D HN 0.817 nan 8.370 nan 0.000 0.426 187 D N -1.293 119.129 120.400 0.037 0.000 2.634 187 D HA 0.426 5.065 4.640 -0.001 0.000 0.236 187 D C 0.946 177.285 176.300 0.066 0.000 1.323 187 D CA 0.256 54.281 54.000 0.041 0.000 0.884 187 D CB 0.341 41.158 40.800 0.029 0.000 1.496 187 D HN -0.008 nan 8.370 nan 0.000 0.525 188 A N 2.140 125.001 122.820 0.067 0.000 1.940 188 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 188 A C 1.688 179.322 177.584 0.084 0.000 1.176 188 A CA 1.576 53.662 52.037 0.082 0.000 0.631 188 A CB -0.072 18.967 19.000 0.065 0.000 0.814 188 A HN 0.429 nan 8.150 nan 0.000 0.446 189 D N -0.107 120.332 120.400 0.064 0.000 2.097 189 D HA -0.032 4.607 4.640 -0.001 0.000 0.195 189 D C 2.257 178.597 176.300 0.067 0.000 0.989 189 D CA 1.652 55.688 54.000 0.060 0.000 0.827 189 D CB -0.372 40.454 40.800 0.043 0.000 0.966 189 D HN 0.416 nan 8.370 nan 0.000 0.456 190 A N 0.415 123.271 122.820 0.060 0.000 1.898 190 A HA -0.183 4.137 4.320 -0.001 0.000 0.216 190 A C 1.945 179.574 177.584 0.075 0.000 1.181 190 A CA 1.958 54.027 52.037 0.053 0.000 0.620 190 A CB -0.700 18.322 19.000 0.038 0.000 0.819 190 A HN 0.212 nan 8.150 nan 0.000 0.442 191 D N -0.128 120.342 120.400 0.115 0.000 2.104 191 D HA -0.178 4.462 4.640 -0.001 0.000 0.194 191 D C 1.295 177.763 176.300 0.280 0.000 0.994 191 D CA 1.682 55.800 54.000 0.196 0.000 0.830 191 D CB -0.130 40.816 40.800 0.243 0.000 0.959 191 D HN 0.350 nan 8.370 nan 0.000 0.452 192 D N -0.227 120.304 120.400 0.219 0.000 2.104 192 D HA -0.147 4.492 4.640 -0.001 0.000 0.194 192 D C 2.007 178.421 176.300 0.190 0.000 0.994 192 D CA 1.553 55.681 54.000 0.214 0.000 0.830 192 D CB -0.636 40.244 40.800 0.133 0.000 0.959 192 D HN 0.338 nan 8.370 nan 0.000 0.452 193 A N 0.605 123.496 122.820 0.118 0.000 1.933 193 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 193 A C 2.139 179.755 177.584 0.054 0.000 1.175 193 A CA 1.991 54.074 52.037 0.077 0.000 0.628 193 A CB -0.534 18.493 19.000 0.045 0.000 0.814 193 A HN 0.244 nan 8.150 nan 0.000 0.444 194 E N -1.011 119.202 120.200 0.021 0.000 2.047 194 E HA -0.198 4.151 4.350 -0.001 0.000 0.191 194 E C 1.710 178.223 176.600 -0.144 0.000 0.987 194 E CA 1.458 57.799 56.400 -0.099 0.000 0.799 194 E CB -0.455 29.140 29.700 -0.175 0.000 0.752 194 E HN 0.715 nan 8.360 nan 0.000 0.449 195 W N 0.862 122.130 121.300 -0.053 0.000 2.338 195 W HA -0.143 4.517 4.660 -0.001 0.000 0.304 195 W C 2.200 178.721 176.519 0.003 0.000 1.212 195 W CA 1.175 58.459 57.345 -0.102 0.000 1.264 195 W CB -0.381 29.065 29.460 -0.024 0.000 1.142 195 W HN 0.251 nan 8.180 nan 0.000 0.512 196 D N -0.022 120.554 120.400 0.292 0.000 2.123 196 D HA -0.215 4.424 4.640 -0.001 0.000 0.196 196 D C 2.131 178.508 176.300 0.129 0.000 0.992 196 D CA 1.489 55.622 54.000 0.222 0.000 0.833 196 D CB -0.247 40.642 40.800 0.147 0.000 0.954 196 D HN -0.021 nan 8.370 nan 0.000 0.455 197 R N -0.391 120.138 120.500 0.048 0.000 2.073 197 R HA -0.074 4.265 4.340 -0.001 0.000 0.234 197 R C 2.497 178.761 176.300 -0.059 0.000 1.134 197 R CA 1.069 57.160 56.100 -0.015 0.000 0.952 197 R CB -0.269 30.001 30.300 -0.050 0.000 0.850 197 R HN 0.252 nan 8.270 nan 0.000 0.433 198 L N -0.669 120.487 121.223 -0.112 0.000 2.027 198 L HA -0.165 4.174 4.340 -0.001 0.000 0.206 198 L C 2.312 179.116 176.870 -0.110 0.000 1.074 198 L CA 1.105 55.824 54.840 -0.202 0.000 0.745 198 L CB -0.589 41.245 42.059 -0.375 0.000 0.898 198 L HN 0.197 nan 8.230 nan 0.000 0.433 199 Y N 0.457 120.768 120.300 0.019 0.000 2.224 199 Y HA -0.242 4.307 4.550 -0.001 0.000 0.289 199 Y C 2.867 178.752 175.900 -0.024 0.000 1.146 199 Y CA 1.576 59.692 58.100 0.027 0.000 1.182 199 Y CB -1.142 37.364 38.460 0.077 0.000 0.983 199 Y HN 0.156 nan 8.280 nan 0.000 0.524 200 T N -0.429 114.201 114.554 0.127 0.000 2.746 200 T HA -0.205 4.144 4.350 -0.001 0.000 0.267 200 T C 1.974 176.648 174.700 -0.043 0.000 1.039 200 T CA 1.647 63.772 62.100 0.043 0.000 1.142 200 T CB -0.162 68.722 68.868 0.027 0.000 0.866 200 T HN 0.227 nan 8.240 nan 0.000 0.444 201 K N 0.871 121.188 120.400 -0.139 0.000 2.057 201 K HA 0.017 4.336 4.320 -0.001 0.000 0.206 201 K C 2.543 178.830 176.600 -0.522 0.000 1.050 201 K CA 1.080 57.160 56.287 -0.345 0.000 0.935 201 K CB -0.291 31.951 32.500 -0.430 0.000 0.715 201 K HN 0.269 nan 8.250 nan 0.000 0.439 202 A N 1.293 123.914 122.820 -0.331 0.000 1.902 202 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 202 A C 1.810 179.409 177.584 0.024 0.000 1.181 202 A CA 1.776 53.689 52.037 -0.206 0.000 0.623 202 A CB -0.478 18.509 19.000 -0.022 0.000 0.818 202 A HN 0.450 nan 8.150 nan 0.000 0.443 203 E N 0.046 120.297 120.200 0.085 0.000 2.153 203 E HA -0.153 4.197 4.350 -0.001 0.000 0.194 203 E C 2.357 179.045 176.600 0.147 0.000 0.988 203 E CA 1.376 57.870 56.400 0.156 0.000 0.811 203 E CB -0.161 29.604 29.700 0.107 0.000 0.746 203 E HN 0.810 nan 8.360 nan 0.000 0.466 204 S N 0.018 115.759 115.700 0.068 0.000 2.387 204 S HA -0.155 4.314 4.470 -0.001 0.000 0.226 204 S C 1.918 176.664 174.600 0.243 0.000 1.026 204 S CA 0.582 58.849 58.200 0.111 0.000 0.972 204 S CB -0.380 62.853 63.200 0.055 0.000 0.814 204 S HN 0.196 nan 8.310 nan 0.000 0.477 205 Y N 0.626 120.944 120.300 0.030 0.000 2.181 205 Y HA 0.122 4.671 4.550 -0.001 0.000 0.288 205 Y C 2.011 177.953 175.900 0.069 0.000 1.146 205 Y CA 0.022 58.111 58.100 -0.020 0.000 1.164 205 Y CB -1.047 37.319 38.460 -0.158 0.000 0.982 205 Y HN 0.319 nan 8.280 nan 0.000 0.515 206 F N 0.242 120.350 119.950 0.264 0.000 2.789 206 F HA 0.055 4.582 4.527 -0.001 0.000 0.300 206 F C 0.783 176.695 175.800 0.188 0.000 1.132 206 F CA 0.072 58.218 58.000 0.243 0.000 1.404 206 F CB -0.319 38.847 39.000 0.276 0.000 1.114 206 F HN -0.007 nan 8.300 nan 0.000 0.584 207 Q N 0.529 120.524 119.800 0.324 0.000 2.451 207 Q HA -0.197 4.143 4.340 -0.001 0.000 0.305 207 Q C 0.072 176.158 176.000 0.143 0.000 1.345 207 Q CA 0.778 56.694 55.803 0.188 0.000 0.854 207 Q CB -2.674 26.149 28.738 0.142 0.000 1.162 207 Q HN 0.218 nan 8.270 nan 0.000 0.440 208 T N 0.021 114.676 114.554 0.168 0.000 2.902 208 T HA 0.412 4.761 4.350 -0.001 0.000 0.301 208 T C 0.820 175.552 174.700 0.053 0.000 1.012 208 T CA 0.602 62.763 62.100 0.101 0.000 1.151 208 T CB 1.219 70.158 68.868 0.119 0.000 0.946 208 T HN 0.498 nan 8.240 nan 0.000 0.542 209 G N 0.729 109.543 108.800 0.023 0.000 2.708 209 G HA2 0.573 4.532 3.960 -0.001 0.000 0.289 209 G HA3 0.573 4.532 3.960 -0.001 0.000 0.289 209 G C 0.095 175.002 174.900 0.013 0.000 1.416 209 G CA -0.508 44.598 45.100 0.010 0.000 0.829 209 G HN 0.626 nan 8.290 nan 0.000 0.480 210 T N -2.631 111.932 114.554 0.014 0.000 3.337 210 T HA 0.253 4.602 4.350 -0.001 0.000 0.299 210 T C 0.107 174.823 174.700 0.028 0.000 0.998 210 T CA 0.546 62.665 62.100 0.031 0.000 0.948 210 T CB 0.411 69.302 68.868 0.038 0.000 1.170 210 T HN 0.490 nan 8.240 nan 0.000 0.508 211 D N 0.343 120.740 120.400 -0.005 0.000 2.520 211 D HA 0.074 4.713 4.640 -0.001 0.000 0.223 211 D C 1.323 177.558 176.300 -0.107 0.000 1.186 211 D CA -0.067 53.908 54.000 -0.040 0.000 0.821 211 D CB -0.079 40.692 40.800 -0.048 0.000 1.072 211 D HN 0.257 nan 8.370 nan 0.000 0.518 212 Q N -0.421 119.313 119.800 -0.110 0.000 2.369 212 Q HA 0.162 4.501 4.340 -0.001 0.000 0.206 212 Q C 0.255 175.877 176.000 -0.630 0.000 0.963 212 Q CA 0.872 56.480 55.803 -0.324 0.000 0.894 212 Q CB -0.261 28.267 28.738 -0.350 0.000 0.965 212 Q HN 0.292 nan 8.270 nan 0.000 0.475 213 F N -0.084 119.696 119.950 -0.283 0.000 2.698 213 F HA 0.236 4.762 4.527 -0.001 0.000 0.304 213 F C 1.290 176.875 175.800 -0.358 0.000 1.108 213 F CA -0.581 57.206 58.000 -0.354 0.000 1.263 213 F CB 0.347 39.062 39.000 -0.474 0.000 1.013 213 F HN -0.005 nan 8.300 nan 0.000 0.532 214 K N 0.508 120.804 120.400 -0.172 0.000 2.209 214 K HA -0.125 4.195 4.320 -0.001 0.000 0.204 214 K C 0.615 177.111 176.600 -0.172 0.000 1.048 214 K CA 1.736 57.969 56.287 -0.090 0.000 0.940 214 K CB -0.184 32.255 32.500 -0.102 0.000 0.729 214 K HN 0.326 nan 8.250 nan 0.000 0.451 215 E N 1.647 121.622 120.200 -0.375 0.000 2.496 215 E HA 0.064 4.413 4.350 -0.001 0.000 0.200 215 E C -0.795 175.624 176.600 -0.301 0.000 1.016 215 E CA -0.366 55.561 56.400 -0.789 0.000 0.962 215 E CB 1.006 30.091 29.700 -1.025 0.000 1.071 215 E HN 0.217 nan 8.360 nan 0.000 0.457 216 S N 0.618 116.297 115.700 -0.035 0.000 2.510 216 S HA 0.140 4.610 4.470 -0.001 0.000 0.279 216 S C 1.237 175.920 174.600 0.138 0.000 1.284 216 S CA -0.387 57.859 58.200 0.078 0.000 1.059 216 S CB 0.428 63.732 63.200 0.172 0.000 0.901 216 S HN 0.237 nan 8.310 nan 0.000 0.491 217 I N 5.001 125.531 120.570 -0.066 0.000 2.179 217 I HA -0.171 3.998 4.170 -0.001 0.000 0.242 217 I C 2.726 178.654 176.117 -0.315 0.000 1.088 217 I CA 1.237 62.235 61.300 -0.502 0.000 1.357 217 I CB -0.213 37.242 38.000 -0.910 0.000 1.051 217 I HN 0.696 nan 8.210 nan 0.000 0.409 218 R N -0.567 119.850 120.500 -0.138 0.000 2.081 218 R HA -0.216 4.123 4.340 -0.001 0.000 0.235 218 R C 2.360 178.690 176.300 0.050 0.000 1.131 218 R CA 1.654 57.726 56.100 -0.046 0.000 0.960 218 R CB -0.663 29.622 30.300 -0.024 0.000 0.856 218 R HN 0.422 nan 8.270 nan 0.000 0.436 219 H N 1.268 120.356 119.070 0.030 0.000 2.290 219 H HA -0.080 4.475 4.556 -0.001 0.000 0.298 219 H C 1.799 177.202 175.328 0.124 0.000 1.087 219 H CA 2.015 58.106 56.048 0.072 0.000 1.291 219 H CB -0.111 29.723 29.762 0.119 0.000 1.369 219 H HN 0.118 nan 8.280 nan 0.000 0.492 220 N N 0.003 118.806 118.700 0.170 0.000 2.244 220 N HA -0.123 4.616 4.740 -0.001 0.000 0.183 220 N C 2.036 177.709 175.510 0.271 0.000 1.016 220 N CA 0.945 54.148 53.050 0.254 0.000 0.866 220 N CB -0.225 38.633 38.487 0.618 0.000 0.980 220 N HN 0.294 nan 8.380 nan 0.000 0.430 221 L N 1.338 122.737 121.223 0.292 0.000 1.989 221 L HA -0.145 4.194 4.340 -0.001 0.000 0.211 221 L C 2.157 179.090 176.870 0.105 0.000 1.071 221 L CA 1.453 56.459 54.840 0.277 0.000 0.749 221 L CB -0.626 41.538 42.059 0.176 0.000 0.890 221 L HN -0.115 nan 8.230 nan 0.000 0.431 222 V N -0.902 119.024 119.914 0.019 0.000 2.283 222 V HA -0.241 3.878 4.120 -0.001 0.000 0.243 222 V C 2.422 178.445 176.094 -0.119 0.000 1.039 222 V CA 1.540 63.814 62.300 -0.042 0.000 1.016 222 V CB -0.689 31.090 31.823 -0.074 0.000 0.650 222 V HN 0.494 nan 8.190 nan 0.000 0.449 223 L N 1.143 122.260 121.223 -0.178 0.000 1.990 223 L HA -0.220 4.120 4.340 -0.001 0.000 0.213 223 L C 2.216 179.017 176.870 -0.114 0.000 1.072 223 L CA 2.216 56.942 54.840 -0.189 0.000 0.755 223 L CB -0.988 40.917 42.059 -0.257 0.000 0.889 223 L HN 0.332 nan 8.230 nan 0.000 0.432 224 N N -0.289 118.393 118.700 -0.029 0.000 2.120 224 N HA -0.200 4.540 4.740 -0.001 0.000 0.188 224 N C 1.836 177.326 175.510 -0.032 0.000 1.024 224 N CA 1.337 54.386 53.050 -0.001 0.000 0.852 224 N CB -0.370 38.143 38.487 0.042 0.000 1.003 224 N HN 0.276 nan 8.380 nan 0.000 0.424 225 K N 1.415 121.796 120.400 -0.032 0.000 2.026 225 K HA 0.043 4.363 4.320 -0.001 0.000 0.208 225 K C 1.937 178.490 176.600 -0.080 0.000 1.048 225 K CA 1.000 57.266 56.287 -0.035 0.000 0.929 225 K CB -0.545 31.954 32.500 -0.002 0.000 0.713 225 K HN 0.136 nan 8.250 nan 0.000 0.439 226 L N 0.088 121.193 121.223 -0.196 0.000 2.056 226 L HA -0.162 4.177 4.340 -0.001 0.000 0.207 226 L C 2.260 178.935 176.870 -0.324 0.000 1.078 226 L CA 1.678 56.282 54.840 -0.393 0.000 0.749 226 L CB -0.856 40.592 42.059 -1.018 0.000 0.901 226 L HN 0.258 nan 8.230 nan 0.000 0.433 227 T N -0.671 113.746 114.554 -0.229 0.000 2.635 227 T HA -0.288 4.062 4.350 -0.001 0.000 0.267 227 T C 1.767 176.520 174.700 0.088 0.000 1.040 227 T CA 1.906 64.041 62.100 0.059 0.000 1.156 227 T CB -0.181 68.728 68.868 0.068 0.000 0.863 227 T HN 0.414 nan 8.240 nan 0.000 0.430 228 E N 0.671 120.883 120.200 0.020 0.000 2.031 228 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 228 E C 2.216 178.814 176.600 -0.003 0.000 0.994 228 E CA 1.110 57.515 56.400 0.008 0.000 0.800 228 E CB -0.006 29.682 29.700 -0.019 0.000 0.752 228 E HN 0.382 nan 8.360 nan 0.000 0.447 229 E N -0.412 119.771 120.200 -0.029 0.000 2.160 229 E HA -0.185 4.164 4.350 -0.001 0.000 0.195 229 E C 1.041 177.475 176.600 -0.277 0.000 0.991 229 E CA 1.060 57.372 56.400 -0.147 0.000 0.810 229 E CB -0.080 29.515 29.700 -0.175 0.000 0.742 229 E HN 0.507 nan 8.360 nan 0.000 0.466 230 Y N 0.302 120.641 120.300 0.065 0.000 2.681 230 Y HA 0.193 4.742 4.550 -0.001 0.000 0.267 230 Y C 0.574 176.538 175.900 0.107 0.000 1.166 230 Y CA -0.408 57.768 58.100 0.127 0.000 1.209 230 Y CB 0.353 38.990 38.460 0.295 0.000 1.161 230 Y HN -0.254 nan 8.280 nan 0.000 0.534 231 K N 0.650 121.139 120.400 0.147 0.000 2.472 231 K HA 0.208 4.527 4.320 -0.001 0.000 0.280 231 K C 1.229 177.883 176.600 0.091 0.000 1.028 231 K CA 1.305 57.658 56.287 0.111 0.000 1.045 231 K CB -0.070 32.466 32.500 0.059 0.000 0.902 231 K HN 0.598 nan 8.250 nan 0.000 0.478 232 G N 3.216 112.072 108.800 0.094 0.000 2.199 232 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.254 232 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.254 232 G C 0.629 175.581 174.900 0.086 0.000 0.982 232 G CA 0.654 45.798 45.100 0.073 0.000 0.632 232 G HN 0.704 nan 8.290 nan 0.000 0.529 233 Q N -1.121 118.756 119.800 0.128 0.000 2.580 233 Q HA 0.364 4.703 4.340 -0.001 0.000 0.239 233 Q C 1.193 177.270 176.000 0.129 0.000 0.873 233 Q CA 0.314 56.202 55.803 0.142 0.000 0.951 233 Q CB 0.835 29.694 28.738 0.201 0.000 1.172 233 Q HN 0.479 nan 8.270 nan 0.000 0.616 234 R N 0.330 120.916 120.500 0.142 0.000 2.707 234 R HA 0.390 4.730 4.340 -0.001 0.000 0.272 234 R C -1.613 174.684 176.300 -0.005 0.000 1.011 234 R CA -0.740 55.343 56.100 -0.028 0.000 0.893 234 R CB 1.713 31.793 30.300 -0.368 0.000 1.233 234 R HN -0.026 nan 8.270 nan 0.000 0.464 235 D N 1.206 121.527 120.400 -0.132 0.000 2.185 235 D HA 0.420 5.060 4.640 -0.001 0.000 0.247 235 D C -0.779 175.335 176.300 -0.311 0.000 1.027 235 D CA 0.027 53.990 54.000 -0.062 0.000 0.861 235 D CB 1.383 42.167 40.800 -0.027 0.000 1.202 235 D HN 0.137 nan 8.370 nan 0.000 0.453 236 F N 0.610 120.560 119.950 0.000 0.000 2.546 236 F HA 0.373 4.899 4.527 -0.001 0.000 0.320 236 F C 0.652 176.461 175.800 0.016 0.000 1.076 236 F CA -0.588 57.405 58.000 -0.011 0.000 0.928 236 F CB 1.908 40.897 39.000 -0.019 0.000 1.189 236 F HN 0.224 nan 8.300 nan 0.000 0.465 237 Q N 0.066 119.971 119.800 0.175 0.000 2.814 237 Q HA 0.339 4.679 4.340 -0.001 0.000 0.322 237 Q C -1.586 174.521 176.000 0.179 0.000 0.861 237 Q CA -1.285 54.609 55.803 0.153 0.000 0.773 237 Q CB 1.697 30.491 28.738 0.095 0.000 1.423 237 Q HN 0.612 nan 8.270 nan 0.000 0.495 238 Q N 0.896 120.819 119.800 0.206 0.000 2.352 238 Q HA 0.256 4.595 4.340 -0.001 0.000 0.260 238 Q C -0.513 175.549 176.000 0.103 0.000 0.976 238 Q CA -0.269 55.664 55.803 0.217 0.000 0.881 238 Q CB 0.532 29.367 28.738 0.161 0.000 1.235 238 Q HN 0.564 nan 8.270 nan 0.000 0.419 239 I N 6.519 127.128 120.570 0.066 0.000 2.821 239 I HA -0.083 4.086 4.170 -0.001 0.000 0.294 239 I C -1.975 174.153 176.117 0.018 0.000 1.210 239 I CA -1.222 60.092 61.300 0.022 0.000 1.430 239 I CB 0.049 38.030 38.000 -0.032 0.000 1.356 239 I HN 0.445 nan 8.210 nan 0.000 0.563 240 P HA 0.196 nan 4.420 nan 0.000 0.266 240 P C -0.910 176.378 177.300 -0.021 0.000 1.215 240 P CA 0.219 63.318 63.100 -0.002 0.000 0.763 240 P CB 0.411 32.100 31.700 -0.019 0.000 0.806 241 L N 2.475 123.695 121.223 -0.006 0.000 2.365 241 L HA 0.638 4.978 4.340 -0.001 0.000 0.273 241 L C 0.362 177.215 176.870 -0.030 0.000 1.000 241 L CA -1.160 53.670 54.840 -0.016 0.000 0.819 241 L CB 2.096 44.212 42.059 0.094 0.000 1.284 241 L HN 0.229 nan 8.230 nan 0.000 0.418 242 A N 3.060 125.823 122.820 -0.096 0.000 2.807 242 A HA 0.758 5.077 4.320 -0.001 0.000 0.307 242 A C 0.054 177.637 177.584 -0.001 0.000 1.532 242 A CA 0.084 52.099 52.037 -0.037 0.000 1.215 242 A CB -0.393 18.517 19.000 -0.151 0.000 1.127 242 A HN 0.791 nan 8.150 nan 0.000 0.543 243 A N 1.651 124.441 122.820 -0.049 0.000 2.599 243 A HA 0.750 5.069 4.320 -0.001 0.000 0.294 243 A C -0.512 176.948 177.584 -0.207 0.000 1.055 243 A CA -0.479 51.424 52.037 -0.223 0.000 0.683 243 A CB 0.807 19.460 19.000 -0.578 0.000 1.278 243 A HN 0.611 nan 8.150 nan 0.000 0.412 244 T N 1.383 115.790 114.554 -0.245 0.000 2.840 244 T HA 0.485 4.834 4.350 -0.001 0.000 0.287 244 T C -0.083 174.471 174.700 -0.243 0.000 0.991 244 T CA -0.434 61.555 62.100 -0.185 0.000 0.964 244 T CB 1.208 70.025 68.868 -0.086 0.000 0.954 244 T HN 0.728 nan 8.240 nan 0.000 0.438 245 R N 2.293 122.635 120.500 -0.263 0.000 2.442 245 R HA 0.246 4.585 4.340 -0.001 0.000 0.291 245 R C 0.751 176.970 176.300 -0.134 0.000 1.069 245 R CA -0.365 55.576 56.100 -0.264 0.000 1.022 245 R CB 0.382 30.487 30.300 -0.326 0.000 0.976 245 R HN 0.403 nan 8.270 nan 0.000 0.443 246 R N 1.087 121.560 120.500 -0.045 0.000 2.279 246 R HA 0.131 4.471 4.340 -0.001 0.000 0.195 246 R C 0.110 176.387 176.300 -0.039 0.000 0.905 246 R CA 0.587 56.675 56.100 -0.020 0.000 1.044 246 R CB 0.410 30.725 30.300 0.025 0.000 1.056 246 R HN 0.757 nan 8.270 nan 0.000 0.535 247 S N -1.416 114.271 115.700 -0.021 0.000 2.611 247 S HA 0.344 4.814 4.470 -0.001 0.000 0.268 247 S C -2.642 171.929 174.600 -0.049 0.000 1.156 247 S CA -1.020 57.163 58.200 -0.029 0.000 0.817 247 S CB 2.058 65.259 63.200 0.000 0.000 1.122 247 S HN -0.260 nan 8.310 nan 0.000 0.466 248 P HA -0.006 nan 4.420 nan 0.000 0.220 248 P C 1.014 178.286 177.300 -0.046 0.000 1.144 248 P CA 1.892 64.953 63.100 -0.066 0.000 0.800 248 P CB -0.188 31.491 31.700 -0.035 0.000 0.772 249 T N -6.993 107.567 114.554 0.010 0.000 3.145 249 T HA 0.289 4.638 4.350 -0.001 0.000 0.281 249 T C -0.239 174.520 174.700 0.100 0.000 1.003 249 T CA -0.358 61.768 62.100 0.043 0.000 0.901 249 T CB -0.568 68.343 68.868 0.071 0.000 1.112 249 T HN -0.131 nan 8.240 nan 0.000 0.535 250 F N 1.715 121.610 119.950 -0.092 0.000 2.536 250 F HA 0.666 5.192 4.527 -0.001 0.000 0.322 250 F C -1.425 174.256 175.800 -0.199 0.000 1.144 250 F CA -1.135 56.808 58.000 -0.095 0.000 0.924 250 F CB 1.972 40.930 39.000 -0.069 0.000 1.181 250 F HN -0.111 nan 8.300 nan 0.000 0.438 251 V N 5.376 124.989 119.914 -0.502 0.000 2.409 251 V HA 0.266 4.385 4.120 -0.001 0.000 0.291 251 V C -0.345 175.262 176.094 -0.811 0.000 1.020 251 V CA -0.845 61.063 62.300 -0.652 0.000 0.848 251 V CB 1.599 32.862 31.823 -0.933 0.000 0.990 251 V HN 0.719 nan 8.190 nan 0.000 0.430 252 E N 4.688 124.652 120.200 -0.393 0.000 1.941 252 E HA 0.154 4.503 4.350 -0.001 0.000 0.275 252 E C -1.051 175.366 176.600 -0.305 0.000 1.113 252 E CA -0.579 55.731 56.400 -0.150 0.000 0.878 252 E CB 0.420 30.189 29.700 0.115 0.000 1.070 252 E HN 0.636 nan 8.360 nan 0.000 0.399 253 W N 2.827 124.027 121.300 -0.166 0.000 2.216 253 W HA 0.104 4.764 4.660 -0.001 0.000 0.326 253 W C 0.693 177.221 176.519 0.014 0.000 1.319 253 W CA -0.468 56.743 57.345 -0.224 0.000 1.213 253 W CB 0.794 29.856 29.460 -0.663 0.000 1.171 253 W HN 0.306 nan 8.180 nan 0.000 0.557 254 S N 1.692 117.577 115.700 0.308 0.000 2.614 254 S HA 0.600 5.069 4.470 -0.001 0.000 0.265 254 S C 0.140 175.166 174.600 0.710 0.000 1.303 254 S CA -0.577 57.882 58.200 0.431 0.000 1.000 254 S CB 1.052 64.505 63.200 0.421 0.000 0.935 254 S HN 0.506 nan 8.310 nan 0.000 0.551 255 S N -0.331 115.746 115.700 0.629 0.000 2.727 255 S HA 0.692 5.161 4.470 -0.001 0.000 0.278 255 S C 0.815 175.636 174.600 0.368 0.000 1.186 255 S CA -0.368 58.148 58.200 0.527 0.000 0.836 255 S CB 0.550 63.978 63.200 0.380 0.000 1.186 255 S HN 0.735 nan 8.310 nan 0.000 0.499 256 A N 1.710 124.639 122.820 0.183 0.000 1.940 256 A HA -0.256 4.064 4.320 -0.001 0.000 0.221 256 A C 2.008 179.651 177.584 0.098 0.000 1.190 256 A CA 2.390 54.486 52.037 0.097 0.000 0.647 256 A CB -1.598 17.425 19.000 0.040 0.000 0.821 256 A HN 0.885 nan 8.150 nan 0.000 0.457 257 N N -0.780 117.986 118.700 0.110 0.000 2.223 257 N HA -0.148 4.591 4.740 -0.001 0.000 0.185 257 N C 1.570 177.114 175.510 0.056 0.000 1.016 257 N CA 1.999 55.086 53.050 0.061 0.000 0.863 257 N CB -0.258 38.276 38.487 0.078 0.000 0.983 257 N HN 0.501 nan 8.380 nan 0.000 0.429 258 T N 0.621 115.259 114.554 0.139 0.000 2.720 258 T HA -0.081 4.268 4.350 -0.001 0.000 0.268 258 T C 2.095 176.835 174.700 0.067 0.000 1.037 258 T CA 1.355 63.539 62.100 0.141 0.000 1.144 258 T CB -0.317 68.713 68.868 0.272 0.000 0.864 258 T HN 0.055 nan 8.240 nan 0.000 0.444 259 V N -0.485 119.454 119.914 0.042 0.000 2.307 259 V HA 0.129 4.248 4.120 -0.001 0.000 0.245 259 V C 0.562 176.614 176.094 -0.070 0.000 1.045 259 V CA 1.016 63.255 62.300 -0.100 0.000 1.024 259 V CB -0.410 31.312 31.823 -0.168 0.000 0.651 259 V HN 0.472 nan 8.190 nan 0.000 0.449 260 F N 0.836 120.663 119.950 -0.206 0.000 2.604 260 F HA 0.389 4.915 4.527 -0.001 0.000 0.316 260 F C 0.229 175.917 175.800 -0.187 0.000 1.136 260 F CA -1.640 56.211 58.000 -0.248 0.000 0.989 260 F CB 1.479 40.284 39.000 -0.325 0.000 1.258 260 F HN 0.139 nan 8.300 nan 0.000 0.451 261 D N 4.658 124.585 120.400 -0.788 0.000 2.347 261 D HA -0.051 4.588 4.640 -0.001 0.000 0.215 261 D C 1.189 177.224 176.300 -0.441 0.000 0.976 261 D CA 1.130 54.840 54.000 -0.482 0.000 0.884 261 D CB -0.023 40.542 40.800 -0.391 0.000 0.915 261 D HN 0.689 nan 8.370 nan 0.000 0.526 262 L N -1.856 118.946 121.223 -0.702 0.000 4.696 262 L HA -0.229 4.111 4.340 -0.001 0.000 0.425 262 L C -0.232 176.616 176.870 -0.036 0.000 1.115 262 L CA 0.406 55.114 54.840 -0.220 0.000 0.996 262 L CB -1.414 40.663 42.059 0.030 0.000 2.077 262 L HN 0.201 nan 8.230 nan 0.000 0.792 263 Q N 1.026 120.703 119.800 -0.205 0.000 2.332 263 Q HA 0.220 4.559 4.340 -0.001 0.000 0.263 263 Q C 0.413 176.485 176.000 0.120 0.000 0.979 263 Q CA -0.051 55.718 55.803 -0.057 0.000 0.885 263 Q CB 0.626 29.291 28.738 -0.121 0.000 1.218 263 Q HN 0.132 nan 8.270 nan 0.000 0.405 264 N N 2.080 120.849 118.700 0.115 0.000 2.407 264 N HA 0.021 4.760 4.740 -0.001 0.000 0.250 264 N C -0.268 175.319 175.510 0.128 0.000 1.236 264 N CA 0.560 53.683 53.050 0.122 0.000 0.879 264 N CB 0.524 38.993 38.487 -0.030 0.000 1.088 264 N HN 0.270 nan 8.380 nan 0.000 0.450 265 R N 1.243 121.854 120.500 0.185 0.000 2.744 265 R HA 0.473 4.813 4.340 -0.001 0.000 0.279 265 R C -2.516 173.885 176.300 0.169 0.000 0.977 265 R CA -1.663 54.537 56.100 0.167 0.000 0.906 265 R CB 1.735 32.163 30.300 0.213 0.000 1.197 265 R HN 0.352 nan 8.270 nan 0.000 0.463 266 P HA 0.042 nan 4.420 nan 0.000 0.269 266 P C -1.205 176.150 177.300 0.091 0.000 1.209 266 P CA -0.071 63.122 63.100 0.156 0.000 0.776 266 P CB 0.539 32.371 31.700 0.221 0.000 0.876 267 N N -1.020 117.716 118.700 0.060 0.000 3.316 267 N HA 0.269 5.008 4.740 -0.001 0.000 0.300 267 N C 0.504 176.023 175.510 0.016 0.000 1.567 267 N CA -0.693 52.375 53.050 0.030 0.000 0.821 267 N CB -0.561 37.933 38.487 0.011 0.000 1.748 267 N HN 0.030 nan 8.380 nan 0.000 0.603 268 T N -0.763 113.793 114.554 0.003 0.000 2.788 268 T HA -0.055 4.294 4.350 -0.001 0.000 0.268 268 T C 0.178 174.871 174.700 -0.012 0.000 1.044 268 T CA 1.543 63.641 62.100 -0.003 0.000 1.139 268 T CB -0.448 68.417 68.868 -0.006 0.000 0.867 268 T HN 0.484 nan 8.240 nan 0.000 0.454 269 D N 0.902 121.290 120.400 -0.021 0.000 2.333 269 D HA 0.231 4.870 4.640 -0.001 0.000 0.208 269 D C 0.722 177.003 176.300 -0.030 0.000 0.984 269 D CA 0.274 54.256 54.000 -0.030 0.000 0.873 269 D CB 0.197 40.972 40.800 -0.042 0.000 0.935 269 D HN 0.363 nan 8.370 nan 0.000 0.521 270 A N 1.200 124.007 122.820 -0.022 0.000 3.216 270 A HA 0.333 4.652 4.320 -0.001 0.000 0.321 270 A C -1.962 175.620 177.584 -0.004 0.000 1.042 270 A CA -0.870 51.156 52.037 -0.017 0.000 0.838 270 A CB 0.964 19.961 19.000 -0.006 0.000 1.136 270 A HN -0.157 nan 8.150 nan 0.000 0.483 271 P HA -0.062 nan 4.420 nan 0.000 0.229 271 P C 0.459 177.716 177.300 -0.071 0.000 1.160 271 P CA 1.054 64.152 63.100 -0.003 0.000 0.777 271 P CB 0.504 32.197 31.700 -0.010 0.000 0.814 272 E N -0.158 119.925 120.200 -0.194 0.000 2.481 272 E HA 0.130 4.480 4.350 -0.001 0.000 0.198 272 E C 0.347 176.740 176.600 -0.345 0.000 1.027 272 E CA 0.138 56.230 56.400 -0.514 0.000 0.900 272 E CB 0.536 29.979 29.700 -0.429 0.000 0.993 272 E HN 0.502 nan 8.360 nan 0.000 0.482 273 E N 0.942 121.113 120.200 -0.048 0.000 2.250 273 E HA 0.430 4.779 4.350 -0.001 0.000 0.269 273 E C -0.246 176.490 176.600 0.228 0.000 1.018 273 E CA -0.476 55.973 56.400 0.081 0.000 0.873 273 E CB 1.368 31.120 29.700 0.087 0.000 1.134 273 E HN -0.175 nan 8.360 nan 0.000 0.403 274 R N 1.958 122.616 120.500 0.263 0.000 2.468 274 R HA 0.392 4.731 4.340 -0.001 0.000 0.302 274 R C -1.564 174.928 176.300 0.321 0.000 1.041 274 R CA -0.499 55.774 56.100 0.289 0.000 0.899 274 R CB 0.896 31.367 30.300 0.285 0.000 1.167 274 R HN 0.376 nan 8.270 nan 0.000 0.483 275 F N 2.184 122.199 119.950 0.108 0.000 2.588 275 F HA 0.463 4.989 4.527 -0.001 0.000 0.314 275 F C -1.621 174.158 175.800 -0.036 0.000 1.134 275 F CA -0.731 57.301 58.000 0.054 0.000 0.961 275 F CB 2.022 41.114 39.000 0.153 0.000 1.239 275 F HN 0.364 nan 8.300 nan 0.000 0.448 276 N N 4.782 122.859 118.700 -1.039 0.000 2.296 276 N HA 0.579 5.319 4.740 -0.001 0.000 0.294 276 N C -1.984 172.487 175.510 -1.732 0.000 1.033 276 N CA -0.623 51.720 53.050 -1.177 0.000 0.839 276 N CB 2.351 40.357 38.487 -0.801 0.000 1.395 276 N HN 0.589 nan 8.380 nan 0.000 0.479 277 L N 2.327 122.746 121.223 -1.341 0.000 2.295 277 L HA 0.649 4.988 4.340 -0.001 0.000 0.285 277 L C -1.612 174.670 176.870 -0.980 0.000 1.035 277 L CA -0.254 54.043 54.840 -0.906 0.000 0.806 277 L CB 0.224 42.125 42.059 -0.263 0.000 1.214 277 L HN 0.470 nan 8.230 nan 0.000 0.426 278 F N 6.124 125.843 119.950 -0.385 0.000 2.443 278 F HA 0.520 5.047 4.527 -0.001 0.000 0.369 278 F C -2.173 173.582 175.800 -0.075 0.000 1.090 278 F CA -2.095 55.766 58.000 -0.231 0.000 1.129 278 F CB 0.688 39.520 39.000 -0.280 0.000 1.367 278 F HN 0.401 nan 8.300 nan 0.000 0.465 279 P HA 0.296 nan 4.420 nan 0.000 0.276 279 P C 0.078 177.442 177.300 0.106 0.000 1.261 279 P CA -0.145 63.005 63.100 0.082 0.000 0.800 279 P CB 1.024 32.751 31.700 0.045 0.000 1.066 280 A N -0.781 122.086 122.820 0.078 0.000 2.791 280 A HA -0.102 4.217 4.320 -0.001 0.000 0.292 280 A C -0.050 177.572 177.584 0.063 0.000 1.487 280 A CA 0.753 52.828 52.037 0.063 0.000 0.760 280 A CB -2.432 16.602 19.000 0.057 0.000 1.031 280 A HN 0.259 nan 8.150 nan 0.000 0.503 281 V N -0.233 119.735 119.914 0.091 0.000 2.380 281 V HA 0.638 4.757 4.120 -0.001 0.000 0.286 281 V C 0.621 176.739 176.094 0.041 0.000 1.015 281 V CA -0.313 62.046 62.300 0.100 0.000 0.834 281 V CB 1.331 33.312 31.823 0.263 0.000 1.009 281 V HN 1.478 nan 8.190 nan 0.000 0.428 282 A N 4.231 127.049 122.820 -0.004 0.000 2.395 282 A HA 0.395 4.714 4.320 -0.001 0.000 0.286 282 A C 0.296 177.871 177.584 -0.015 0.000 1.193 282 A CA -0.123 51.891 52.037 -0.038 0.000 0.852 282 A CB -0.304 18.711 19.000 0.025 0.000 1.118 282 A HN 0.858 nan 8.150 nan 0.000 0.524 283 C N 2.797 122.059 119.300 -0.064 0.000 2.514 283 C HA 0.317 4.776 4.460 -0.001 0.000 0.392 283 C C 1.387 176.340 174.990 -0.061 0.000 1.294 283 C CA -0.196 58.773 59.018 -0.082 0.000 1.957 283 C CB -0.366 27.314 27.740 -0.100 0.000 2.541 283 C HN 1.000 nan 8.230 nan 0.000 0.569 284 E N 0.696 120.876 120.200 -0.033 0.000 2.391 284 E HA 0.139 4.488 4.350 -0.001 0.000 0.206 284 E C 0.130 176.706 176.600 -0.039 0.000 0.851 284 E CA 0.259 56.646 56.400 -0.022 0.000 1.059 284 E CB 0.536 30.244 29.700 0.014 0.000 1.065 284 E HN 0.644 nan 8.360 nan 0.000 0.512 285 R N 0.753 121.227 120.500 -0.042 0.000 2.643 285 R HA 0.359 4.698 4.340 -0.001 0.000 0.269 285 R C -0.909 175.299 176.300 -0.154 0.000 1.037 285 R CA -0.650 55.389 56.100 -0.102 0.000 0.894 285 R CB 2.113 32.331 30.300 -0.137 0.000 1.238 285 R HN -0.099 nan 8.270 nan 0.000 0.459 286 V N -0.890 118.925 119.914 -0.165 0.000 2.427 286 V HA 0.535 4.654 4.120 -0.001 0.000 0.286 286 V C 0.155 176.100 176.094 -0.247 0.000 1.034 286 V CA -0.873 61.291 62.300 -0.227 0.000 0.893 286 V CB 1.702 33.388 31.823 -0.228 0.000 0.982 286 V HN 0.435 nan 8.190 nan 0.000 0.452 287 V N 5.870 125.591 119.914 -0.322 0.000 2.385 287 V HA 0.414 4.533 4.120 -0.001 0.000 0.269 287 V C 0.724 176.724 176.094 -0.156 0.000 1.043 287 V CA -0.368 61.769 62.300 -0.273 0.000 0.906 287 V CB 0.592 32.226 31.823 -0.315 0.000 0.995 287 V HN 0.927 nan 8.190 nan 0.000 0.467 288 R N 3.910 124.352 120.500 -0.096 0.000 2.441 288 R HA 0.277 4.617 4.340 -0.001 0.000 0.284 288 R C 0.393 176.695 176.300 0.003 0.000 1.070 288 R CA -0.598 55.521 56.100 0.031 0.000 1.047 288 R CB 0.626 30.930 30.300 0.007 0.000 1.016 288 R HN 0.864 nan 8.270 nan 0.000 0.477 289 N N 1.506 120.223 118.700 0.029 0.000 2.326 289 N HA -0.037 4.702 4.740 -0.001 0.000 0.239 289 N C 0.556 176.045 175.510 -0.036 0.000 1.301 289 N CA 0.259 53.301 53.050 -0.012 0.000 0.909 289 N CB 0.499 38.977 38.487 -0.015 0.000 1.156 289 N HN 0.591 nan 8.380 nan 0.000 0.462 290 A N 0.629 123.426 122.820 -0.039 0.000 1.972 290 A HA -0.054 4.265 4.320 -0.001 0.000 0.219 290 A C 2.187 179.734 177.584 -0.061 0.000 1.169 290 A CA 0.897 52.907 52.037 -0.045 0.000 0.635 290 A CB -0.730 18.250 19.000 -0.034 0.000 0.810 290 A HN 0.663 nan 8.150 nan 0.000 0.446 291 L N -0.954 120.222 121.223 -0.078 0.000 2.554 291 L HA -0.015 4.325 4.340 -0.001 0.000 0.226 291 L C 0.034 176.798 176.870 -0.177 0.000 1.137 291 L CA -0.000 54.777 54.840 -0.105 0.000 0.863 291 L CB -0.385 41.615 42.059 -0.098 0.000 0.985 291 L HN 0.401 nan 8.230 nan 0.000 0.451 292 N N 0.189 118.764 118.700 -0.208 0.000 2.738 292 N HA -0.179 4.560 4.740 -0.001 0.000 0.249 292 N C 0.866 175.763 175.510 -1.023 0.000 1.047 292 N CA 1.039 53.846 53.050 -0.405 0.000 0.707 292 N CB -1.174 37.218 38.487 -0.159 0.000 0.937 292 N HN 0.535 nan 8.380 nan 0.000 0.545 293 S N -2.068 113.150 115.700 -0.803 0.000 2.649 293 S HA 0.249 4.719 4.470 -0.001 0.000 0.246 293 S C 0.265 174.622 174.600 -0.405 0.000 1.057 293 S CA -0.145 57.664 58.200 -0.651 0.000 1.051 293 S CB 1.595 64.629 63.200 -0.278 0.000 1.018 293 S HN 0.388 nan 8.310 nan 0.000 0.569 294 E N 0.297 120.378 120.200 -0.199 0.000 2.375 294 E HA 0.432 4.781 4.350 -0.001 0.000 0.280 294 E C -1.678 175.088 176.600 0.276 0.000 0.972 294 E CA -0.869 55.620 56.400 0.149 0.000 0.782 294 E CB 1.336 31.089 29.700 0.088 0.000 1.229 294 E HN 0.108 nan 8.360 nan 0.000 0.439 295 I N 3.290 123.984 120.570 0.206 0.000 2.428 295 I HA 0.146 4.315 4.170 -0.001 0.000 0.289 295 I C 0.874 176.889 176.117 -0.170 0.000 1.019 295 I CA 0.077 61.307 61.300 -0.116 0.000 1.351 295 I CB 1.238 38.915 38.000 -0.538 0.000 1.412 295 I HN 0.685 nan 8.210 nan 0.000 0.513 296 E N 2.933 123.032 120.200 -0.169 0.000 2.372 296 E HA 0.099 4.448 4.350 -0.001 0.000 0.201 296 E C 0.297 176.906 176.600 0.015 0.000 0.938 296 E CA 0.358 56.744 56.400 -0.023 0.000 0.944 296 E CB 0.646 30.343 29.700 -0.004 0.000 0.937 296 E HN 0.739 nan 8.360 nan 0.000 0.495 297 S N -0.576 115.048 115.700 -0.127 0.000 2.655 297 S HA 0.520 4.989 4.470 -0.001 0.000 0.266 297 S C -1.563 172.996 174.600 -0.069 0.000 1.149 297 S CA -1.037 57.194 58.200 0.052 0.000 0.818 297 S CB 1.227 64.516 63.200 0.150 0.000 1.130 297 S HN 0.008 nan 8.310 nan 0.000 0.476 298 L N 1.758 123.075 121.223 0.157 0.000 2.333 298 L HA 0.705 5.044 4.340 -0.001 0.000 0.280 298 L C -1.516 175.452 176.870 0.164 0.000 1.004 298 L CA -0.150 54.736 54.840 0.077 0.000 0.820 298 L CB 1.196 43.321 42.059 0.110 0.000 1.247 298 L HN 0.877 nan 8.230 nan 0.000 0.416 299 H N 5.779 124.805 119.070 -0.072 0.000 2.604 299 H HA 0.554 5.109 4.556 -0.001 0.000 0.306 299 H C -0.224 175.048 175.328 -0.095 0.000 1.075 299 H CA -0.297 55.710 56.048 -0.068 0.000 1.357 299 H CB 0.888 30.614 29.762 -0.059 0.000 1.426 299 H HN 0.706 nan 8.280 nan 0.000 0.470 300 I N -0.270 120.303 120.570 0.003 0.000 2.846 300 I HA 0.466 4.635 4.170 -0.001 0.000 0.307 300 I C -0.549 175.628 176.117 0.100 0.000 1.053 300 I CA -0.863 60.418 61.300 -0.032 0.000 1.050 300 I CB 2.873 40.750 38.000 -0.205 0.000 1.239 300 I HN 0.517 nan 8.210 nan 0.000 0.439 301 H N 3.623 122.693 119.070 -0.000 0.000 2.860 301 H HA 0.207 4.762 4.556 -0.001 0.000 0.312 301 H C -1.399 173.980 175.328 0.085 0.000 0.995 301 H CA -0.655 55.410 56.048 0.029 0.000 1.311 301 H CB 1.359 31.131 29.762 0.016 0.000 1.478 301 H HN 0.821 nan 8.280 nan 0.000 0.508 302 D N 5.805 126.251 120.400 0.077 0.000 2.346 302 D HA -0.018 4.621 4.640 -0.001 0.000 0.260 302 D C 1.064 177.244 176.300 -0.200 0.000 1.252 302 D CA -0.133 53.882 54.000 0.026 0.000 0.895 302 D CB 0.982 41.916 40.800 0.223 0.000 1.097 302 D HN 0.689 nan 8.370 nan 0.000 0.489 303 L N 4.316 125.422 121.223 -0.195 0.000 2.395 303 L HA -0.108 4.231 4.340 -0.001 0.000 0.218 303 L C 1.920 178.741 176.870 -0.082 0.000 1.130 303 L CA 0.075 54.780 54.840 -0.224 0.000 0.826 303 L CB -0.034 41.979 42.059 -0.078 0.000 0.941 303 L HN 0.549 nan 8.230 nan 0.000 0.451 304 I N -0.570 119.987 120.570 -0.022 0.000 2.364 304 I HA -0.134 4.036 4.170 -0.001 0.000 0.241 304 I C 2.737 178.869 176.117 0.026 0.000 1.082 304 I CA 1.601 62.910 61.300 0.014 0.000 1.401 304 I CB -1.211 36.808 38.000 0.032 0.000 1.126 304 I HN 0.251 nan 8.210 nan 0.000 0.429 305 S N 0.627 116.357 115.700 0.050 0.000 2.453 305 S HA 0.032 4.501 4.470 -0.001 0.000 0.231 305 S C 1.883 176.523 174.600 0.068 0.000 1.005 305 S CA 0.924 59.169 58.200 0.076 0.000 0.949 305 S CB -0.297 62.987 63.200 0.140 0.000 0.774 305 S HN 0.630 nan 8.310 nan 0.000 0.510 306 G N 0.941 109.768 108.800 0.045 0.000 2.212 306 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.266 306 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.266 306 G C -0.318 174.689 174.900 0.177 0.000 0.978 306 G CA 0.334 45.498 45.100 0.107 0.000 0.632 306 G HN 0.584 nan 8.290 nan 0.000 0.537 307 D N 0.268 120.727 120.400 0.098 0.000 2.313 307 D HA 0.543 5.182 4.640 -0.001 0.000 0.247 307 D C 0.900 177.093 176.300 -0.177 0.000 1.094 307 D CA -0.095 53.839 54.000 -0.111 0.000 0.925 307 D CB 0.657 41.292 40.800 -0.275 0.000 1.188 307 D HN 0.352 nan 8.370 nan 0.000 0.430 308 R N 0.841 121.068 120.500 -0.454 0.000 2.532 308 R HA 0.596 4.936 4.340 -0.001 0.000 0.295 308 R C -0.702 175.134 176.300 -0.773 0.000 0.968 308 R CA -0.581 55.287 56.100 -0.388 0.000 0.916 308 R CB 1.080 31.222 30.300 -0.263 0.000 1.124 308 R HN 0.288 nan 8.270 nan 0.000 0.463 309 F N -0.012 119.874 119.950 -0.106 0.000 2.629 309 F HA 0.301 4.827 4.527 -0.001 0.000 0.316 309 F C -0.039 175.664 175.800 -0.162 0.000 1.081 309 F CA -1.076 56.852 58.000 -0.121 0.000 0.954 309 F CB 1.785 40.733 39.000 -0.087 0.000 1.337 309 F HN 0.455 nan 8.300 nan 0.000 0.474 310 E N 1.703 121.952 120.200 0.081 0.000 2.212 310 E HA 0.697 5.047 4.350 -0.001 0.000 0.268 310 E C -1.654 175.021 176.600 0.125 0.000 0.902 310 E CA -0.758 55.695 56.400 0.088 0.000 0.779 310 E CB 2.334 32.093 29.700 0.097 0.000 1.172 310 E HN 0.370 nan 8.360 nan 0.000 0.409 311 I N 1.872 122.523 120.570 0.134 0.000 2.509 311 I HA 0.371 4.540 4.170 -0.001 0.000 0.293 311 I C -0.079 176.176 176.117 0.230 0.000 1.020 311 I CA -0.921 60.475 61.300 0.160 0.000 1.088 311 I CB 1.618 39.683 38.000 0.109 0.000 1.267 311 I HN 0.592 nan 8.210 nan 0.000 0.430 312 K N 3.580 124.112 120.400 0.219 0.000 2.164 312 K HA 0.878 5.198 4.320 -0.001 0.000 0.258 312 K C -0.854 175.838 176.600 0.155 0.000 0.951 312 K CA -0.544 55.880 56.287 0.228 0.000 0.844 312 K CB 2.892 35.490 32.500 0.163 0.000 1.099 312 K HN 0.828 nan 8.250 nan 0.000 0.435 313 A N 1.702 124.552 122.820 0.050 0.000 2.606 313 A HA 0.316 4.636 4.320 -0.001 0.000 0.293 313 A C -0.376 177.113 177.584 -0.158 0.000 1.082 313 A CA -0.633 51.279 52.037 -0.209 0.000 0.685 313 A CB 1.064 19.648 19.000 -0.694 0.000 1.284 313 A HN 0.680 nan 8.150 nan 0.000 0.408 314 D N -0.399 119.943 120.400 -0.097 0.000 2.183 314 D HA 0.107 4.746 4.640 -0.001 0.000 0.203 314 D C 0.305 176.523 176.300 -0.138 0.000 0.969 314 D CA 1.690 55.700 54.000 0.016 0.000 0.842 314 D CB 0.227 41.096 40.800 0.115 0.000 0.957 314 D HN 0.228 nan 8.370 nan 0.000 0.484 315 V N 0.634 120.302 119.914 -0.409 0.000 2.638 315 V HA 0.273 4.392 4.120 -0.001 0.000 0.306 315 V C -1.363 174.456 176.094 -0.458 0.000 1.052 315 V CA -0.875 61.178 62.300 -0.410 0.000 0.885 315 V CB 1.938 33.393 31.823 -0.613 0.000 0.999 315 V HN -0.072 nan 8.190 nan 0.000 0.424 316 Y N 2.984 123.276 120.300 -0.015 0.000 2.331 316 Y HA 0.706 5.256 4.550 -0.001 0.000 0.334 316 Y C -0.156 175.714 175.900 -0.050 0.000 0.960 316 Y CA -0.941 57.140 58.100 -0.033 0.000 1.130 316 Y CB 2.167 40.608 38.460 -0.031 0.000 1.164 316 Y HN 0.351 nan 8.280 nan 0.000 0.458 317 V N 5.503 125.378 119.914 -0.066 0.000 2.444 317 V HA 0.394 4.514 4.120 -0.001 0.000 0.294 317 V C -0.494 175.459 176.094 -0.235 0.000 1.022 317 V CA -0.914 61.233 62.300 -0.255 0.000 0.850 317 V CB 1.699 33.157 31.823 -0.607 0.000 0.992 317 V HN 0.593 nan 8.190 nan 0.000 0.426 318 L N 5.177 126.262 121.223 -0.230 0.000 2.262 318 L HA 0.540 4.879 4.340 -0.001 0.000 0.288 318 L C 0.396 177.153 176.870 -0.188 0.000 1.035 318 L CA -0.176 54.550 54.840 -0.190 0.000 0.820 318 L CB 1.492 43.422 42.059 -0.215 0.000 1.204 318 L HN 0.809 nan 8.230 nan 0.000 0.424 319 T N -1.617 112.861 114.554 -0.126 0.000 3.516 319 T HA 0.378 4.727 4.350 -0.001 0.000 0.245 319 T C 0.690 175.391 174.700 0.002 0.000 1.077 319 T CA -0.138 61.930 62.100 -0.054 0.000 1.222 319 T CB 1.026 69.859 68.868 -0.058 0.000 1.045 319 T HN 0.541 nan 8.240 nan 0.000 0.585 320 A N 0.773 123.603 122.820 0.017 0.000 2.275 320 A HA 0.773 5.092 4.320 -0.001 0.000 0.212 320 A C 1.400 179.057 177.584 0.121 0.000 1.201 320 A CA 0.109 52.181 52.037 0.059 0.000 0.843 320 A CB -0.657 18.374 19.000 0.052 0.000 0.873 320 A HN 1.699 nan 8.150 nan 0.000 0.492 321 G N -2.493 106.373 108.800 0.111 0.000 2.663 321 G HA2 0.264 4.223 3.960 -0.001 0.000 0.686 321 G HA3 0.264 4.223 3.960 -0.001 0.000 0.686 321 G C 0.738 175.732 174.900 0.156 0.000 1.288 321 G CA -0.291 44.882 45.100 0.121 0.000 0.836 321 G HN 1.258 nan 8.290 nan 0.000 0.584 322 A N -0.529 122.370 122.820 0.132 0.000 1.969 322 A HA 0.254 4.574 4.320 -0.001 0.000 0.218 322 A C 2.637 180.307 177.584 0.144 0.000 1.169 322 A CA 3.088 55.204 52.037 0.132 0.000 0.635 322 A CB -0.333 18.709 19.000 0.072 0.000 0.810 322 A HN 1.572 nan 8.150 nan 0.000 0.445 323 V N -0.857 119.096 119.914 0.067 0.000 2.302 323 V HA -0.205 3.914 4.120 -0.001 0.000 0.243 323 V C 2.189 178.310 176.094 0.045 0.000 1.036 323 V CA 2.156 64.466 62.300 0.016 0.000 1.020 323 V CB -1.022 30.698 31.823 -0.170 0.000 0.657 323 V HN 0.739 nan 8.190 nan 0.000 0.453 324 H N -0.445 118.700 119.070 0.125 0.000 2.535 324 H HA 0.010 4.566 4.556 -0.001 0.000 0.273 324 H C 2.218 177.538 175.328 -0.013 0.000 0.983 324 H CA 0.653 56.729 56.048 0.047 0.000 1.238 324 H CB 0.148 29.919 29.762 0.015 0.000 1.412 324 H HN 0.319 nan 8.280 nan 0.000 0.562 325 N N -0.001 118.771 118.700 0.121 0.000 2.084 325 N HA -0.120 4.620 4.740 -0.001 0.000 0.190 325 N C 1.782 177.266 175.510 -0.045 0.000 1.030 325 N CA 1.801 54.845 53.050 -0.010 0.000 0.849 325 N CB -0.468 37.978 38.487 -0.069 0.000 1.012 325 N HN 0.311 nan 8.380 nan 0.000 0.423 326 T N 0.905 115.512 114.554 0.089 0.000 2.746 326 T HA -0.170 4.179 4.350 -0.001 0.000 0.267 326 T C 1.837 176.385 174.700 -0.254 0.000 1.039 326 T CA 1.100 63.245 62.100 0.076 0.000 1.142 326 T CB -0.245 68.817 68.868 0.324 0.000 0.866 326 T HN 0.343 nan 8.240 nan 0.000 0.444 327 Q N 0.155 119.715 119.800 -0.400 0.000 2.061 327 Q HA -0.139 4.201 4.340 -0.001 0.000 0.204 327 Q C 2.314 178.040 176.000 -0.457 0.000 0.984 327 Q CA 1.198 56.466 55.803 -0.892 0.000 0.846 327 Q CB -0.254 28.286 28.738 -0.330 0.000 0.902 327 Q HN 0.346 nan 8.270 nan 0.000 0.421 328 L N 0.746 121.833 121.223 -0.227 0.000 2.046 328 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 328 L C 2.055 178.828 176.870 -0.160 0.000 1.077 328 L CA 1.580 56.321 54.840 -0.166 0.000 0.747 328 L CB -0.773 41.207 42.059 -0.131 0.000 0.896 328 L HN 0.314 nan 8.230 nan 0.000 0.432 329 L N -1.936 119.173 121.223 -0.190 0.000 2.056 329 L HA -0.181 4.158 4.340 -0.001 0.000 0.207 329 L C 2.419 179.307 176.870 0.030 0.000 1.078 329 L CA 0.866 55.621 54.840 -0.142 0.000 0.749 329 L CB -0.542 41.325 42.059 -0.319 0.000 0.901 329 L HN 0.067 nan 8.230 nan 0.000 0.433 330 V N -0.089 119.767 119.914 -0.097 0.000 2.427 330 V HA -0.256 3.863 4.120 -0.001 0.000 0.248 330 V C 2.105 178.165 176.094 -0.056 0.000 1.051 330 V CA 1.896 64.165 62.300 -0.053 0.000 1.048 330 V CB -0.666 31.082 31.823 -0.125 0.000 0.666 330 V HN 0.475 nan 8.190 nan 0.000 0.456 331 N N 0.125 118.750 118.700 -0.125 0.000 2.453 331 N HA -0.102 4.637 4.740 -0.001 0.000 0.183 331 N C 1.593 177.074 175.510 -0.049 0.000 1.041 331 N CA 1.174 54.176 53.050 -0.081 0.000 0.900 331 N CB -0.063 38.362 38.487 -0.102 0.000 0.961 331 N HN 0.382 nan 8.380 nan 0.000 0.443 332 S N -1.359 114.330 115.700 -0.018 0.000 2.575 332 S HA 0.293 4.763 4.470 -0.001 0.000 0.215 332 S C 1.115 175.678 174.600 -0.062 0.000 0.966 332 S CA 0.344 58.535 58.200 -0.013 0.000 0.911 332 S CB 0.314 63.556 63.200 0.070 0.000 0.780 332 S HN 0.560 nan 8.310 nan 0.000 0.514 333 G N 1.035 109.809 108.800 -0.043 0.000 2.157 333 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.239 333 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.239 333 G C -0.028 174.778 174.900 -0.156 0.000 0.982 333 G CA -0.495 44.541 45.100 -0.107 0.000 0.650 333 G HN 0.434 nan 8.290 nan 0.000 0.527 334 F N 0.885 120.798 119.950 -0.061 0.000 2.382 334 F HA 0.499 5.025 4.527 -0.001 0.000 0.331 334 F C 1.736 177.538 175.800 0.003 0.000 1.121 334 F CA 1.252 59.229 58.000 -0.039 0.000 1.183 334 F CB 0.839 39.784 39.000 -0.092 0.000 1.207 334 F HN 0.736 nan 8.300 nan 0.000 0.555 335 G N 1.905 110.846 108.800 0.235 0.000 2.611 335 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.301 335 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.301 335 G C -0.661 174.311 174.900 0.120 0.000 1.233 335 G CA 0.351 45.554 45.100 0.173 0.000 0.993 335 G HN 0.834 nan 8.290 nan 0.000 0.553 336 Q N -1.431 118.447 119.800 0.131 0.000 2.309 336 Q HA 0.626 4.965 4.340 -0.001 0.000 0.273 336 Q C -1.345 174.742 176.000 0.146 0.000 1.040 336 Q CA -0.981 54.883 55.803 0.101 0.000 0.834 336 Q CB 1.760 30.540 28.738 0.071 0.000 1.345 336 Q HN 0.707 nan 8.270 nan 0.000 0.414 337 L N 2.732 124.028 121.223 0.122 0.000 2.371 337 L HA 0.807 5.146 4.340 -0.001 0.000 0.272 337 L C 0.463 177.418 176.870 0.141 0.000 1.124 337 L CA 1.917 56.857 54.840 0.167 0.000 0.816 337 L CB 1.207 43.339 42.059 0.121 0.000 1.129 337 L HN 0.826 nan 8.230 nan 0.000 0.448 338 G N 3.351 112.288 108.800 0.228 0.000 2.710 338 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.668 338 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.668 338 G C -0.510 174.255 174.900 -0.225 0.000 1.320 338 G CA -0.457 44.716 45.100 0.122 0.000 0.860 338 G HN 0.810 nan 8.290 nan 0.000 0.538 339 R N 0.877 120.995 120.500 -0.636 0.000 2.458 339 R HA 0.364 4.703 4.340 -0.001 0.000 0.303 339 R C -1.792 174.086 176.300 -0.703 0.000 1.013 339 R CA -0.568 54.756 56.100 -1.294 0.000 1.026 339 R CB -0.054 29.777 30.300 -0.782 0.000 0.948 339 R HN 0.367 nan 8.270 nan 0.000 0.417 340 P HA 0.050 nan 4.420 nan 0.000 0.269 340 P C -1.293 175.865 177.300 -0.237 0.000 1.215 340 P CA -0.131 62.770 63.100 -0.330 0.000 0.780 340 P CB 0.566 32.114 31.700 -0.254 0.000 0.898 341 N N 1.155 119.770 118.700 -0.142 0.000 2.371 341 N HA 0.275 5.014 4.740 -0.001 0.000 0.291 341 N C -2.029 173.442 175.510 -0.064 0.000 1.053 341 N CA -1.755 51.234 53.050 -0.102 0.000 0.870 341 N CB 1.430 39.865 38.487 -0.087 0.000 1.503 341 N HN 0.130 nan 8.380 nan 0.000 0.485 342 P HA 0.020 nan 4.420 nan 0.000 0.230 342 P C 0.586 177.873 177.300 -0.023 0.000 1.158 342 P CA 0.466 63.547 63.100 -0.032 0.000 0.769 342 P CB 0.239 31.921 31.700 -0.029 0.000 0.807 343 A N -0.653 122.150 122.820 -0.028 0.000 2.016 343 A HA -0.025 4.295 4.320 -0.001 0.000 0.217 343 A C 1.499 179.072 177.584 -0.017 0.000 1.162 343 A CA 0.887 52.911 52.037 -0.021 0.000 0.662 343 A CB -0.506 18.479 19.000 -0.024 0.000 0.812 343 A HN 0.109 nan 8.150 nan 0.000 0.450 344 N N 0.727 119.414 118.700 -0.021 0.000 2.813 344 N HA 0.215 4.955 4.740 -0.001 0.000 0.282 344 N C -3.099 172.405 175.510 -0.009 0.000 1.748 344 N CA -1.077 51.964 53.050 -0.014 0.000 0.860 344 N CB 1.134 39.610 38.487 -0.018 0.000 1.204 344 N HN 0.236 nan 8.380 nan 0.000 0.490 345 P HA 0.155 nan 4.420 nan 0.000 0.268 345 P C -2.526 174.786 177.300 0.021 0.000 1.205 345 P CA -0.641 62.466 63.100 0.012 0.000 0.771 345 P CB 0.146 31.857 31.700 0.018 0.000 0.858 346 P HA 0.143 nan 4.420 nan 0.000 0.274 346 P C 0.881 178.207 177.300 0.044 0.000 1.237 346 P CA -0.223 62.901 63.100 0.041 0.000 0.793 346 P CB 1.166 32.904 31.700 0.063 0.000 0.977 347 E N 0.616 120.835 120.200 0.033 0.000 2.072 347 E HA -0.067 4.282 4.350 -0.001 0.000 0.191 347 E C -0.009 176.626 176.600 0.059 0.000 0.985 347 E CA 0.790 57.209 56.400 0.031 0.000 0.801 347 E CB -0.004 29.701 29.700 0.009 0.000 0.750 347 E HN 0.387 nan 8.360 nan 0.000 0.452 348 L N 1.440 122.709 121.223 0.076 0.000 2.322 348 L HA 0.293 4.632 4.340 -0.001 0.000 0.281 348 L C -0.040 176.958 176.870 0.212 0.000 1.014 348 L CA -0.764 54.164 54.840 0.148 0.000 0.815 348 L CB 1.673 43.790 42.059 0.097 0.000 1.247 348 L HN 0.166 nan 8.230 nan 0.000 0.421 349 L N 3.977 125.346 121.223 0.243 0.000 3.826 349 L HA -0.182 4.157 4.340 -0.001 0.000 0.566 349 L C -1.456 175.524 176.870 0.183 0.000 1.217 349 L CA -0.516 54.462 54.840 0.231 0.000 0.823 349 L CB -0.812 41.403 42.059 0.260 0.000 1.381 349 L HN 0.601 nan 8.230 nan 0.000 0.825 350 P HA -0.100 nan 4.420 nan 0.000 0.225 350 P C 1.179 178.574 177.300 0.158 0.000 1.148 350 P CA 0.982 64.159 63.100 0.128 0.000 0.779 350 P CB 0.343 32.101 31.700 0.096 0.000 0.780 351 S N -0.605 115.208 115.700 0.188 0.000 2.593 351 S HA 0.069 4.538 4.470 -0.001 0.000 0.217 351 S C 0.820 175.573 174.600 0.255 0.000 0.966 351 S CA -0.407 57.947 58.200 0.256 0.000 0.914 351 S CB -0.655 62.692 63.200 0.245 0.000 0.776 351 S HN 0.071 nan 8.310 nan 0.000 0.523 352 L N 2.465 123.817 121.223 0.215 0.000 2.540 352 L HA 0.367 4.707 4.340 -0.001 0.000 0.276 352 L C 1.201 178.208 176.870 0.228 0.000 1.212 352 L CA 1.140 56.108 54.840 0.213 0.000 0.893 352 L CB -0.399 41.772 42.059 0.187 0.000 1.138 352 L HN 0.358 nan 8.230 nan 0.000 0.491 353 G N 2.447 111.392 108.800 0.241 0.000 2.168 353 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.263 353 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.263 353 G C 0.431 175.452 174.900 0.202 0.000 0.977 353 G CA 0.408 45.651 45.100 0.238 0.000 0.659 353 G HN 0.816 nan 8.290 nan 0.000 0.533 354 S N -1.630 114.194 115.700 0.205 0.000 2.664 354 S HA 0.655 5.124 4.470 -0.001 0.000 0.304 354 S C 0.377 175.112 174.600 0.224 0.000 1.099 354 S CA 0.075 58.339 58.200 0.106 0.000 1.003 354 S CB 0.949 64.145 63.200 -0.007 0.000 1.092 354 S HN 0.909 nan 8.310 nan 0.000 0.525 355 Y N -0.992 119.376 120.300 0.113 0.000 4.272 355 Y HA -0.205 4.345 4.550 -0.001 0.000 0.232 355 Y C 0.475 176.456 175.900 0.136 0.000 1.149 355 Y CA 0.234 58.398 58.100 0.108 0.000 1.961 355 Y CB -2.211 36.308 38.460 0.098 0.000 1.611 355 Y HN 0.630 nan 8.280 nan 0.000 0.682 356 I N 0.081 120.796 120.570 0.242 0.000 2.634 356 I HA 0.470 4.639 4.170 -0.001 0.000 0.284 356 I C 0.678 176.969 176.117 0.290 0.000 1.124 356 I CA 0.415 61.864 61.300 0.248 0.000 1.417 356 I CB 1.281 39.428 38.000 0.244 0.000 1.396 356 I HN 0.201 nan 8.210 nan 0.000 0.571 357 T N 1.972 116.656 114.554 0.217 0.000 2.863 357 T HA 0.686 5.036 4.350 -0.001 0.000 0.285 357 T C -0.627 174.093 174.700 0.033 0.000 1.009 357 T CA -0.675 61.536 62.100 0.185 0.000 0.989 357 T CB 2.029 70.948 68.868 0.085 0.000 1.004 357 T HN 0.835 nan 8.240 nan 0.000 0.455 358 E N 1.280 121.479 120.200 -0.002 0.000 2.331 358 E HA 0.344 4.694 4.350 -0.001 0.000 0.275 358 E C -1.090 175.624 176.600 0.191 0.000 0.895 358 E CA -0.574 55.777 56.400 -0.083 0.000 0.753 358 E CB 2.006 31.442 29.700 -0.440 0.000 1.216 358 E HN 0.713 nan 8.360 nan 0.000 0.434 359 Q N 1.235 121.138 119.800 0.171 0.000 2.327 359 Q HA 0.414 4.753 4.340 -0.001 0.000 0.254 359 Q C -0.444 175.742 176.000 0.310 0.000 0.952 359 Q CA -0.379 55.569 55.803 0.243 0.000 0.884 359 Q CB 1.246 30.133 28.738 0.248 0.000 1.224 359 Q HN 0.472 nan 8.270 nan 0.000 0.422 360 S N 1.756 117.554 115.700 0.164 0.000 2.549 360 S HA 0.276 4.746 4.470 -0.001 0.000 0.279 360 S C -0.608 174.031 174.600 0.065 0.000 1.321 360 S CA -0.420 57.748 58.200 -0.052 0.000 1.054 360 S CB 0.323 63.399 63.200 -0.206 0.000 0.899 360 S HN 0.367 nan 8.310 nan 0.000 0.497 361 L N 4.908 126.147 121.223 0.026 0.000 2.409 361 L HA 0.715 5.055 4.340 -0.001 0.000 0.272 361 L C -0.782 175.962 176.870 -0.210 0.000 0.980 361 L CA -0.663 54.102 54.840 -0.125 0.000 0.826 361 L CB 1.671 43.650 42.059 -0.134 0.000 1.268 361 L HN 0.475 nan 8.230 nan 0.000 0.407 362 V N 2.119 121.829 119.914 -0.341 0.000 2.715 362 V HA 0.752 4.872 4.120 -0.001 0.000 0.310 362 V C -1.051 174.914 176.094 -0.215 0.000 1.054 362 V CA -0.660 61.363 62.300 -0.461 0.000 0.928 362 V CB 1.669 33.023 31.823 -0.782 0.000 1.007 362 V HN 0.803 nan 8.190 nan 0.000 0.437 363 F N 4.794 124.544 119.950 -0.334 0.000 2.591 363 F HA 0.876 5.402 4.527 -0.001 0.000 0.309 363 F C -0.377 175.297 175.800 -0.209 0.000 1.098 363 F CA -0.122 57.760 58.000 -0.197 0.000 0.937 363 F CB 1.562 40.490 39.000 -0.121 0.000 1.250 363 F HN 1.228 nan 8.300 nan 0.000 0.447 364 C N 2.771 121.412 119.300 -1.098 0.000 3.320 364 C HA 0.798 5.257 4.460 -0.001 0.000 0.335 364 C C -1.728 172.669 174.990 -0.987 0.000 1.430 364 C CA -0.704 57.643 59.018 -1.119 0.000 1.271 364 C CB 1.645 28.990 27.740 -0.659 0.000 1.609 364 C HN 0.974 nan 8.230 nan 0.000 0.457 365 Q N 0.480 119.953 119.800 -0.545 0.000 2.413 365 Q HA 0.775 5.115 4.340 -0.001 0.000 0.276 365 Q C -0.582 175.429 176.000 0.017 0.000 1.099 365 Q CA -0.220 55.488 55.803 -0.158 0.000 0.814 365 Q CB 2.716 31.350 28.738 -0.174 0.000 1.379 365 Q HN 0.950 nan 8.270 nan 0.000 0.436 366 T N -2.552 112.089 114.554 0.145 0.000 2.924 366 T HA 0.695 5.044 4.350 -0.001 0.000 0.291 366 T C -0.605 174.143 174.700 0.080 0.000 1.045 366 T CA -0.723 61.435 62.100 0.097 0.000 1.015 366 T CB 1.227 70.164 68.868 0.114 0.000 1.103 366 T HN 0.256 nan 8.240 nan 0.000 0.496 367 V N 3.077 123.007 119.914 0.026 0.000 2.347 367 V HA 0.381 4.500 4.120 -0.001 0.000 0.280 367 V C 0.363 176.459 176.094 0.004 0.000 1.021 367 V CA -0.889 61.418 62.300 0.012 0.000 0.847 367 V CB 0.986 32.807 31.823 -0.003 0.000 0.990 367 V HN 1.023 nan 8.190 nan 0.000 0.444 368 M N 4.924 124.535 119.600 0.018 0.000 2.248 368 M HA 0.060 4.540 4.480 -0.001 0.000 0.343 368 M C 0.903 177.203 176.300 -0.000 0.000 1.243 368 M CA 0.767 56.079 55.300 0.020 0.000 1.025 368 M CB 0.557 33.169 32.600 0.019 0.000 1.759 368 M HN 0.925 nan 8.290 nan 0.000 0.452 369 S N 2.482 118.180 115.700 -0.003 0.000 2.579 369 S HA 0.098 4.567 4.470 -0.001 0.000 0.275 369 S C 1.035 175.632 174.600 -0.005 0.000 1.345 369 S CA -0.157 58.032 58.200 -0.017 0.000 1.031 369 S CB 0.618 63.803 63.200 -0.025 0.000 0.892 369 S HN 0.797 nan 8.310 nan 0.000 0.529 370 T N 1.521 116.069 114.554 -0.010 0.000 2.699 370 T HA -0.163 4.186 4.350 -0.001 0.000 0.268 370 T C 1.621 176.325 174.700 0.007 0.000 1.036 370 T CA 1.927 64.026 62.100 -0.002 0.000 1.147 370 T CB -0.579 68.285 68.868 -0.006 0.000 0.862 370 T HN 0.827 nan 8.240 nan 0.000 0.446 371 E N 0.305 120.506 120.200 0.001 0.000 2.070 371 E HA -0.122 4.227 4.350 -0.001 0.000 0.197 371 E C 2.154 178.769 176.600 0.025 0.000 1.004 371 E CA 1.011 57.416 56.400 0.007 0.000 0.805 371 E CB -0.188 29.509 29.700 -0.005 0.000 0.744 371 E HN 0.425 nan 8.360 nan 0.000 0.451 372 L N 0.459 121.700 121.223 0.029 0.000 2.072 372 L HA -0.172 4.167 4.340 -0.001 0.000 0.205 372 L C 2.379 179.289 176.870 0.067 0.000 1.079 372 L CA 0.364 55.237 54.840 0.055 0.000 0.752 372 L CB -0.269 41.822 42.059 0.053 0.000 0.906 372 L HN 0.256 nan 8.230 nan 0.000 0.436 373 I N 0.025 120.620 120.570 0.041 0.000 2.179 373 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 373 I C 2.162 178.310 176.117 0.052 0.000 1.088 373 I CA 1.518 62.839 61.300 0.035 0.000 1.357 373 I CB -1.132 36.876 38.000 0.014 0.000 1.051 373 I HN 0.276 nan 8.210 nan 0.000 0.409 374 D N 0.806 121.235 120.400 0.048 0.000 2.149 374 D HA -0.147 4.492 4.640 -0.001 0.000 0.198 374 D C 2.371 178.720 176.300 0.081 0.000 0.990 374 D CA 1.736 55.769 54.000 0.054 0.000 0.839 374 D CB -0.151 40.671 40.800 0.037 0.000 0.948 374 D HN 0.377 nan 8.370 nan 0.000 0.460 375 S N 0.007 115.765 115.700 0.096 0.000 2.419 375 S HA -0.129 4.341 4.470 -0.001 0.000 0.235 375 S C 2.168 176.928 174.600 0.266 0.000 1.019 375 S CA 0.831 59.120 58.200 0.149 0.000 0.982 375 S CB -0.574 62.705 63.200 0.131 0.000 0.789 375 S HN 0.093 nan 8.310 nan 0.000 0.490 376 V N 2.970 123.019 119.914 0.225 0.000 2.469 376 V HA -0.172 3.947 4.120 -0.001 0.000 0.251 376 V C 2.186 178.434 176.094 0.256 0.000 1.064 376 V CA 2.152 64.617 62.300 0.276 0.000 1.066 376 V CB -0.813 31.072 31.823 0.104 0.000 0.667 376 V HN 0.818 nan 8.190 nan 0.000 0.461 377 K N 0.269 120.771 120.400 0.170 0.000 2.498 377 K HA 0.180 4.499 4.320 -0.001 0.000 0.207 377 K C 1.561 178.230 176.600 0.115 0.000 1.033 377 K CA 0.670 57.038 56.287 0.135 0.000 1.138 377 K CB 0.149 32.706 32.500 0.096 0.000 0.860 377 K HN 0.425 nan 8.250 nan 0.000 0.490 378 S N 0.822 116.604 115.700 0.136 0.000 2.419 378 S HA -0.169 4.300 4.470 -0.001 0.000 0.235 378 S C 0.937 175.546 174.600 0.016 0.000 1.019 378 S CA 1.283 59.516 58.200 0.055 0.000 0.982 378 S CB -0.238 62.965 63.200 0.004 0.000 0.789 378 S HN 0.312 nan 8.310 nan 0.000 0.490 379 D N 0.486 120.908 120.400 0.037 0.000 2.349 379 D HA 0.255 4.895 4.640 -0.001 0.000 0.214 379 D C 0.178 176.514 176.300 0.060 0.000 1.063 379 D CA 0.240 54.247 54.000 0.012 0.000 0.847 379 D CB 0.041 40.828 40.800 -0.023 0.000 0.933 379 D HN 0.364 nan 8.370 nan 0.000 0.513 380 M N 0.248 119.887 119.600 0.064 0.000 2.342 380 M HA 0.251 4.730 4.480 -0.001 0.000 0.332 380 M C 0.255 176.581 176.300 0.043 0.000 1.166 380 M CA -0.028 55.317 55.300 0.076 0.000 1.086 380 M CB 1.220 33.860 32.600 0.066 0.000 1.541 380 M HN -0.355 nan 8.290 nan 0.000 0.462 381 T N 3.983 118.555 114.554 0.030 0.000 2.756 381 T HA 0.680 5.029 4.350 -0.001 0.000 0.290 381 T C -0.084 174.593 174.700 -0.038 0.000 0.985 381 T CA -0.343 61.756 62.100 -0.002 0.000 0.955 381 T CB 0.305 69.169 68.868 -0.007 0.000 0.930 381 T HN 0.413 nan 8.240 nan 0.000 0.451 382 I N 4.228 124.777 120.570 -0.035 0.000 2.389 382 I HA 0.564 4.733 4.170 -0.001 0.000 0.288 382 I C 0.247 176.341 176.117 -0.040 0.000 0.999 382 I CA -0.805 60.450 61.300 -0.074 0.000 1.129 382 I CB 1.427 39.420 38.000 -0.011 0.000 1.288 382 I HN 0.334 nan 8.210 nan 0.000 0.444 383 R N 3.530 123.983 120.500 -0.079 0.000 2.808 383 R HA 0.817 5.156 4.340 -0.001 0.000 0.272 383 R C -0.121 176.203 176.300 0.040 0.000 0.995 383 R CA -0.781 55.313 56.100 -0.010 0.000 0.917 383 R CB 2.209 32.495 30.300 -0.023 0.000 1.217 383 R HN 0.848 nan 8.270 nan 0.000 0.471 384 G N 0.433 109.290 108.800 0.095 0.000 2.681 384 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.220 384 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.220 384 G C -0.774 174.273 174.900 0.245 0.000 1.353 384 G CA -0.270 44.921 45.100 0.151 0.000 0.872 384 G HN 0.848 nan 8.290 nan 0.000 0.557 385 T N -1.118 113.566 114.554 0.217 0.000 2.881 385 T HA 0.693 5.043 4.350 -0.001 0.000 0.291 385 T C -2.836 171.809 174.700 -0.092 0.000 0.990 385 T CA -1.305 60.842 62.100 0.079 0.000 0.976 385 T CB 2.609 71.495 68.868 0.029 0.000 0.970 385 T HN 0.524 nan 8.240 nan 0.000 0.438 386 P HA 0.312 nan 4.420 nan 0.000 0.265 386 P C 1.237 178.349 177.300 -0.313 0.000 1.187 386 P CA 1.212 63.834 63.100 -0.797 0.000 0.766 386 P CB 0.261 31.511 31.700 -0.750 0.000 0.820 387 G N 0.807 109.473 108.800 -0.223 0.000 2.176 387 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.253 387 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.253 387 G C -0.091 174.789 174.900 -0.034 0.000 0.979 387 G CA -0.184 44.861 45.100 -0.093 0.000 0.641 387 G HN 0.587 nan 8.290 nan 0.000 0.530 388 E N -0.775 119.422 120.200 -0.006 0.000 2.359 388 E HA 0.587 4.936 4.350 -0.001 0.000 0.266 388 E C 1.046 177.687 176.600 0.068 0.000 0.920 388 E CA -0.955 55.462 56.400 0.028 0.000 0.788 388 E CB 1.131 30.845 29.700 0.024 0.000 1.279 388 E HN 0.043 nan 8.360 nan 0.000 0.438 389 L N 0.433 121.686 121.223 0.050 0.000 2.265 389 L HA -0.161 4.179 4.340 -0.001 0.000 0.215 389 L C 2.417 179.325 176.870 0.063 0.000 1.117 389 L CA 1.804 56.674 54.840 0.050 0.000 0.782 389 L CB -0.843 41.234 42.059 0.030 0.000 0.914 389 L HN 0.675 nan 8.230 nan 0.000 0.441 390 T N -3.866 110.732 114.554 0.072 0.000 3.007 390 T HA -0.212 4.137 4.350 -0.001 0.000 0.270 390 T C 0.718 175.484 174.700 0.111 0.000 1.107 390 T CA 0.139 62.283 62.100 0.073 0.000 1.118 390 T CB -0.489 68.419 68.868 0.068 0.000 0.889 390 T HN 0.128 nan 8.240 nan 0.000 0.506 391 Y N 2.874 123.175 120.300 0.002 0.000 2.605 391 Y HA 0.431 4.981 4.550 -0.001 0.000 0.336 391 Y C 0.165 176.068 175.900 0.005 0.000 1.111 391 Y CA -1.102 57.000 58.100 0.004 0.000 1.422 391 Y CB 0.146 38.607 38.460 0.001 0.000 1.193 391 Y HN 0.160 nan 8.280 nan 0.000 0.526 392 S N 5.530 121.012 115.700 -0.362 0.000 2.647 392 S HA 0.695 5.164 4.470 -0.001 0.000 0.300 392 S C -1.806 172.528 174.600 -0.444 0.000 1.129 392 S CA -0.668 57.339 58.200 -0.322 0.000 1.029 392 S CB 0.604 63.720 63.200 -0.141 0.000 1.007 392 S HN 0.406 nan 8.310 nan 0.000 0.484 393 V N 5.321 125.013 119.914 -0.368 0.000 2.376 393 V HA 0.667 4.787 4.120 -0.001 0.000 0.287 393 V C 0.048 176.106 176.094 -0.061 0.000 1.015 393 V CA -0.408 61.760 62.300 -0.220 0.000 0.834 393 V CB 1.200 32.906 31.823 -0.194 0.000 1.001 393 V HN 1.021 nan 8.190 nan 0.000 0.428 394 T N 1.921 116.468 114.554 -0.012 0.000 2.896 394 T HA 0.863 5.213 4.350 -0.001 0.000 0.297 394 T C -0.994 173.780 174.700 0.124 0.000 1.108 394 T CA -0.734 61.382 62.100 0.027 0.000 1.004 394 T CB 2.388 71.227 68.868 -0.049 0.000 1.159 394 T HN 0.696 nan 8.240 nan 0.000 0.499 395 Y N -1.612 118.678 120.300 -0.017 0.000 2.638 395 Y HA 0.796 5.345 4.550 -0.001 0.000 0.339 395 Y C -0.775 175.116 175.900 -0.014 0.000 1.084 395 Y CA -1.367 56.725 58.100 -0.013 0.000 1.068 395 Y CB 0.820 39.279 38.460 -0.000 0.000 1.294 395 Y HN 0.622 nan 8.280 nan 0.000 0.480 396 T N 4.015 118.575 114.554 0.010 0.000 2.781 396 T HA 0.377 4.726 4.350 -0.001 0.000 0.305 396 T C -2.808 171.912 174.700 0.034 0.000 1.001 396 T CA -1.340 60.710 62.100 -0.083 0.000 0.950 396 T CB 0.483 69.339 68.868 -0.020 0.000 0.955 396 T HN 0.343 nan 8.240 nan 0.000 0.471 397 P HA 0.213 nan 4.420 nan 0.000 0.264 397 P C 1.119 178.463 177.300 0.074 0.000 1.193 397 P CA 0.811 63.984 63.100 0.122 0.000 0.763 397 P CB 0.347 32.065 31.700 0.031 0.000 0.810 398 G N 1.972 110.827 108.800 0.092 0.000 2.176 398 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.253 398 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.253 398 G C 0.439 175.353 174.900 0.022 0.000 0.979 398 G CA -0.026 45.101 45.100 0.045 0.000 0.641 398 G HN 0.854 nan 8.290 nan 0.000 0.530 399 A N 0.744 123.579 122.820 0.026 0.000 2.511 399 A HA 0.637 4.957 4.320 -0.001 0.000 0.242 399 A C 1.788 179.361 177.584 -0.018 0.000 1.069 399 A CA 1.323 53.361 52.037 0.002 0.000 0.763 399 A CB 0.344 19.348 19.000 0.007 0.000 1.001 399 A HN 1.733 nan 8.150 nan 0.000 0.498 400 S N 1.514 117.199 115.700 -0.024 0.000 2.423 400 S HA -0.164 4.306 4.470 -0.001 0.000 0.231 400 S C 1.475 176.041 174.600 -0.057 0.000 1.014 400 S CA 1.683 59.861 58.200 -0.037 0.000 0.965 400 S CB -0.911 62.272 63.200 -0.029 0.000 0.785 400 S HN 1.187 nan 8.310 nan 0.000 0.495 401 T N -0.725 113.796 114.554 -0.056 0.000 3.113 401 T HA 0.167 4.516 4.350 -0.001 0.000 0.256 401 T C 0.481 175.116 174.700 -0.108 0.000 1.131 401 T CA -0.300 61.756 62.100 -0.073 0.000 1.074 401 T CB -0.674 68.159 68.868 -0.057 0.000 0.944 401 T HN 0.209 nan 8.240 nan 0.000 0.516 402 N N 2.318 120.952 118.700 -0.109 0.000 2.458 402 N HA 0.133 4.872 4.740 -0.001 0.000 0.258 402 N C 1.025 176.369 175.510 -0.277 0.000 1.219 402 N CA -0.134 52.819 53.050 -0.161 0.000 0.902 402 N CB 0.857 39.274 38.487 -0.116 0.000 1.076 402 N HN 0.187 nan 8.380 nan 0.000 0.455 403 K N 1.183 121.309 120.400 -0.456 0.000 2.305 403 K HA 0.030 4.349 4.320 -0.001 0.000 0.199 403 K C -0.062 175.979 176.600 -0.933 0.000 1.047 403 K CA 0.818 56.681 56.287 -0.708 0.000 0.976 403 K CB 0.126 32.069 32.500 -0.929 0.000 0.765 403 K HN 0.565 nan 8.250 nan 0.000 0.474 404 H N 0.069 118.801 119.070 -0.562 0.000 2.679 404 H HA 0.338 4.894 4.556 -0.001 0.000 0.367 404 H C -2.343 172.635 175.328 -0.584 0.000 1.162 404 H CA -2.703 52.836 56.048 -0.848 0.000 1.181 404 H CB 1.355 30.211 29.762 -1.511 0.000 1.693 404 H HN -0.157 nan 8.280 nan 0.000 0.538 405 P HA 0.017 nan 4.420 nan 0.000 0.273 405 P C 0.420 177.470 177.300 -0.417 0.000 1.250 405 P CA -0.244 62.617 63.100 -0.399 0.000 0.793 405 P CB 1.149 32.553 31.700 -0.493 0.000 1.011 406 D N -0.139 120.156 120.400 -0.175 0.000 2.144 406 D HA -0.129 4.510 4.640 -0.001 0.000 0.199 406 D C 1.902 178.181 176.300 -0.034 0.000 0.984 406 D CA 1.196 55.175 54.000 -0.036 0.000 0.834 406 D CB -0.555 40.340 40.800 0.157 0.000 0.955 406 D HN 0.604 nan 8.370 nan 0.000 0.465 407 W N 0.319 121.685 121.300 0.111 0.000 2.342 407 W HA -0.154 4.505 4.660 -0.001 0.000 0.297 407 W C 1.918 178.505 176.519 0.114 0.000 1.213 407 W CA 0.196 57.603 57.345 0.104 0.000 1.251 407 W CB -1.316 28.200 29.460 0.093 0.000 1.136 407 W HN 0.063 nan 8.180 nan 0.000 0.526 408 W N 3.437 124.251 121.300 -0.810 0.000 2.413 408 W HA -0.155 4.505 4.660 -0.001 0.000 0.315 408 W C 1.963 178.216 176.519 -0.443 0.000 1.186 408 W CA 1.702 58.600 57.345 -0.745 0.000 1.326 408 W CB -1.069 27.695 29.460 -1.161 0.000 1.153 408 W HN -0.128 nan 8.180 nan 0.000 0.489 409 N N 1.008 119.630 118.700 -0.129 0.000 2.120 409 N HA -0.218 4.521 4.740 -0.001 0.000 0.188 409 N C 1.522 176.738 175.510 -0.489 0.000 1.024 409 N CA 2.061 54.834 53.050 -0.463 0.000 0.852 409 N CB -0.735 37.080 38.487 -1.121 0.000 1.003 409 N HN 0.237 nan 8.380 nan 0.000 0.424 410 E N 1.442 121.472 120.200 -0.282 0.000 2.077 410 E HA -0.105 4.244 4.350 -0.001 0.000 0.193 410 E C 1.592 178.245 176.600 0.089 0.000 0.989 410 E CA 1.404 57.858 56.400 0.090 0.000 0.800 410 E CB 0.026 29.857 29.700 0.219 0.000 0.746 410 E HN 0.286 nan 8.360 nan 0.000 0.452 411 K N -0.563 119.873 120.400 0.060 0.000 2.097 411 K HA -0.080 4.239 4.320 -0.001 0.000 0.206 411 K C 2.108 178.718 176.600 0.017 0.000 1.049 411 K CA 1.298 57.614 56.287 0.048 0.000 0.933 411 K CB -0.062 32.455 32.500 0.029 0.000 0.717 411 K HN 0.023 nan 8.250 nan 0.000 0.442 412 V N 1.917 121.809 119.914 -0.037 0.000 2.307 412 V HA -0.244 3.875 4.120 -0.001 0.000 0.245 412 V C 2.378 178.517 176.094 0.076 0.000 1.045 412 V CA 1.634 63.925 62.300 -0.016 0.000 1.024 412 V CB -0.400 31.406 31.823 -0.029 0.000 0.651 412 V HN 0.337 nan 8.190 nan 0.000 0.449 413 K N 0.359 120.804 120.400 0.076 0.000 2.044 413 K HA -0.266 4.054 4.320 -0.001 0.000 0.210 413 K C 1.989 178.660 176.600 0.119 0.000 1.049 413 K CA 2.179 58.543 56.287 0.128 0.000 0.927 413 K CB -0.254 32.392 32.500 0.243 0.000 0.713 413 K HN 0.416 nan 8.250 nan 0.000 0.443 414 N N 0.271 119.047 118.700 0.127 0.000 2.142 414 N HA -0.172 4.567 4.740 -0.001 0.000 0.186 414 N C 1.759 177.349 175.510 0.132 0.000 1.023 414 N CA 1.419 54.539 53.050 0.116 0.000 0.852 414 N CB -0.648 37.911 38.487 0.121 0.000 0.998 414 N HN 0.441 nan 8.380 nan 0.000 0.424 415 H N 0.580 119.691 119.070 0.069 0.000 2.319 415 H HA 0.069 4.624 4.556 -0.001 0.000 0.299 415 H C 1.968 177.366 175.328 0.116 0.000 1.092 415 H CA 1.809 57.911 56.048 0.090 0.000 1.302 415 H CB -0.078 29.637 29.762 -0.078 0.000 1.373 415 H HN 0.116 nan 8.280 nan 0.000 0.497 416 M N -0.874 118.741 119.600 0.025 0.000 2.319 416 M HA -0.101 4.378 4.480 -0.001 0.000 0.265 416 M C 1.607 177.967 176.300 0.100 0.000 1.068 416 M CA 0.900 56.223 55.300 0.037 0.000 1.118 416 M CB 0.154 32.844 32.600 0.150 0.000 1.395 416 M HN 0.350 nan 8.290 nan 0.000 0.435 417 M N -0.330 119.310 119.600 0.066 0.000 2.394 417 M HA -0.040 4.439 4.480 -0.001 0.000 0.266 417 M C 1.924 178.216 176.300 -0.014 0.000 1.098 417 M CA 1.222 56.565 55.300 0.072 0.000 1.149 417 M CB -0.676 31.950 32.600 0.043 0.000 1.369 417 M HN 0.212 nan 8.290 nan 0.000 0.450 418 Q N -0.539 119.195 119.800 -0.110 0.000 2.331 418 Q HA 0.033 4.373 4.340 -0.001 0.000 0.203 418 Q C 0.193 175.845 176.000 -0.581 0.000 0.944 418 Q CA 0.904 56.519 55.803 -0.314 0.000 0.892 418 Q CB 0.081 28.611 28.738 -0.347 0.000 0.983 418 Q HN 0.579 nan 8.270 nan 0.000 0.482 419 H N 0.616 119.613 119.070 -0.122 0.000 2.379 419 H HA 0.280 4.836 4.556 -0.001 0.000 0.229 419 H C 0.277 175.524 175.328 -0.136 0.000 1.423 419 H CA -0.109 55.868 56.048 -0.118 0.000 1.375 419 H CB 0.528 30.172 29.762 -0.197 0.000 1.592 419 H HN 0.230 nan 8.280 nan 0.000 0.507 420 Q N 0.685 120.469 119.800 -0.027 0.000 2.436 420 Q HA -0.108 4.231 4.340 -0.001 0.000 0.209 420 Q C 1.955 177.893 176.000 -0.105 0.000 0.965 420 Q CA 0.776 56.522 55.803 -0.095 0.000 0.910 420 Q CB 0.437 29.073 28.738 -0.170 0.000 0.980 420 Q HN 0.496 nan 8.270 nan 0.000 0.491 421 E N 1.297 121.485 120.200 -0.020 0.000 2.358 421 E HA -0.122 4.227 4.350 -0.001 0.000 0.195 421 E C -0.349 176.280 176.600 0.047 0.000 1.010 421 E CA 0.592 56.996 56.400 0.007 0.000 0.856 421 E CB -0.002 29.721 29.700 0.039 0.000 0.795 421 E HN 0.168 nan 8.360 nan 0.000 0.504 422 D N 2.041 122.488 120.400 0.077 0.000 2.277 422 D HA 0.111 4.750 4.640 -0.001 0.000 0.249 422 D C -1.544 174.800 176.300 0.074 0.000 1.134 422 D CA -2.003 52.069 54.000 0.119 0.000 0.863 422 D CB 1.535 42.432 40.800 0.162 0.000 1.143 422 D HN -0.127 nan 8.370 nan 0.000 0.458 423 P HA 0.081 nan 4.420 nan 0.000 0.245 423 P C -0.164 177.172 177.300 0.060 0.000 1.206 423 P CA 0.215 63.347 63.100 0.053 0.000 0.781 423 P CB 0.393 32.118 31.700 0.041 0.000 0.994 424 L N 1.768 123.035 121.223 0.072 0.000 2.331 424 L HA 0.370 4.710 4.340 -0.001 0.000 0.275 424 L C -1.449 175.448 176.870 0.044 0.000 1.022 424 L CA -2.244 52.613 54.840 0.028 0.000 0.812 424 L CB 2.362 44.402 42.059 -0.033 0.000 1.257 424 L HN -0.286 nan 8.230 nan 0.000 0.435 425 P HA 0.124 nan 4.420 nan 0.000 0.255 425 P C 0.118 177.278 177.300 -0.234 0.000 1.248 425 P CA 0.418 63.515 63.100 -0.004 0.000 0.807 425 P CB 0.380 32.089 31.700 0.014 0.000 1.150 426 I N 2.023 122.350 120.570 -0.405 0.000 2.342 426 I HA 0.253 4.422 4.170 -0.001 0.000 0.291 426 I C -2.178 173.424 176.117 -0.859 0.000 1.010 426 I CA -2.873 58.130 61.300 -0.496 0.000 1.308 426 I CB 0.947 38.750 38.000 -0.329 0.000 1.400 426 I HN -0.260 nan 8.210 nan 0.000 0.488 427 P HA 0.001 nan 4.420 nan 0.000 0.267 427 P C 0.248 177.288 177.300 -0.435 0.000 1.200 427 P CA 0.055 62.780 63.100 -0.625 0.000 0.772 427 P CB 0.359 31.927 31.700 -0.221 0.000 0.855 428 F N 0.688 120.519 119.950 -0.198 0.000 2.171 428 F HA -0.120 4.406 4.527 -0.001 0.000 0.300 428 F C 1.720 177.476 175.800 -0.073 0.000 1.090 428 F CA 1.600 59.526 58.000 -0.123 0.000 1.293 428 F CB -0.844 38.099 39.000 -0.095 0.000 1.013 428 F HN 0.401 nan 8.300 nan 0.000 0.486 429 E N -0.285 119.994 120.200 0.132 0.000 2.419 429 E HA -0.004 4.345 4.350 -0.001 0.000 0.190 429 E C -0.256 176.362 176.600 0.029 0.000 1.040 429 E CA -0.229 56.221 56.400 0.082 0.000 0.900 429 E CB -0.247 29.504 29.700 0.085 0.000 1.054 429 E HN 0.193 nan 8.360 nan 0.000 0.462 430 D N 2.561 122.953 120.400 -0.014 0.000 2.450 430 D HA 0.019 4.658 4.640 -0.001 0.000 0.247 430 D C -2.257 174.052 176.300 0.015 0.000 1.162 430 D CA -1.494 52.485 54.000 -0.036 0.000 0.879 430 D CB 0.780 41.516 40.800 -0.108 0.000 1.163 430 D HN -0.119 nan 8.370 nan 0.000 0.472 431 P HA 0.067 nan 4.420 nan 0.000 0.271 431 P C -0.361 177.047 177.300 0.180 0.000 1.233 431 P CA -0.359 62.827 63.100 0.143 0.000 0.789 431 P CB 0.352 32.143 31.700 0.152 0.000 0.951 432 E N 1.641 121.971 120.200 0.217 0.000 2.392 432 E HA 0.210 4.559 4.350 -0.001 0.000 0.256 432 E C -2.495 174.151 176.600 0.077 0.000 1.145 432 E CA -1.894 54.566 56.400 0.098 0.000 0.929 432 E CB -0.871 28.850 29.700 0.034 0.000 0.998 432 E HN 0.214 nan 8.360 nan 0.000 0.442 433 P HA 0.111 nan 4.420 nan 0.000 0.274 433 P C -0.553 176.751 177.300 0.006 0.000 1.231 433 P CA -0.134 63.039 63.100 0.121 0.000 0.790 433 P CB 0.448 32.170 31.700 0.037 0.000 0.951 434 Q N 0.701 120.599 119.800 0.163 0.000 3.557 434 Q HA 0.304 4.643 4.340 -0.001 0.000 0.264 434 Q C -1.123 174.960 176.000 0.138 0.000 0.850 434 Q CA -0.274 55.497 55.803 -0.053 0.000 0.833 434 Q CB 1.125 29.578 28.738 -0.474 0.000 1.505 434 Q HN 0.178 nan 8.270 nan 0.000 0.402 435 V N 0.585 120.541 119.914 0.070 0.000 2.547 435 V HA 0.732 4.851 4.120 -0.001 0.000 0.299 435 V C 0.154 176.256 176.094 0.014 0.000 1.040 435 V CA -0.397 61.942 62.300 0.064 0.000 0.913 435 V CB 2.057 33.862 31.823 -0.030 0.000 0.992 435 V HN 0.429 nan 8.190 nan 0.000 0.449 436 T N 1.792 116.388 114.554 0.070 0.000 2.933 436 T HA 0.436 4.785 4.350 -0.001 0.000 0.305 436 T C -0.895 173.754 174.700 -0.085 0.000 1.092 436 T CA -0.309 61.776 62.100 -0.026 0.000 1.008 436 T CB 1.777 70.612 68.868 -0.054 0.000 1.102 436 T HN 0.800 nan 8.240 nan 0.000 0.469 437 T N 5.050 119.402 114.554 -0.336 0.000 2.756 437 T HA 0.589 4.938 4.350 -0.001 0.000 0.290 437 T C 0.032 174.580 174.700 -0.254 0.000 0.985 437 T CA -0.577 61.153 62.100 -0.616 0.000 0.955 437 T CB -0.257 67.814 68.868 -1.328 0.000 0.930 437 T HN 0.510 nan 8.240 nan 0.000 0.451 438 L N 4.562 125.715 121.223 -0.116 0.000 2.467 438 L HA 0.363 4.703 4.340 -0.001 0.000 0.270 438 L C 0.763 177.637 176.870 0.008 0.000 1.205 438 L CA -0.869 53.985 54.840 0.023 0.000 0.828 438 L CB 0.169 42.241 42.059 0.022 0.000 1.101 438 L HN 0.611 nan 8.230 nan 0.000 0.479 439 F N 3.050 122.923 119.950 -0.128 0.000 2.604 439 F HA -0.092 4.434 4.527 -0.001 0.000 0.390 439 F C 0.278 175.816 175.800 -0.438 0.000 1.053 439 F CA 0.643 58.471 58.000 -0.286 0.000 1.256 439 F CB 0.102 38.986 39.000 -0.192 0.000 0.996 439 F HN 0.402 nan 8.300 nan 0.000 0.564 440 Q N 6.576 125.857 119.800 -0.866 0.000 2.456 440 Q HA 0.257 4.596 4.340 -0.001 0.000 0.284 440 Q C -2.010 173.533 176.000 -0.761 0.000 1.061 440 Q CA -1.789 53.605 55.803 -0.682 0.000 0.799 440 Q CB 1.390 29.638 28.738 -0.817 0.000 1.445 440 Q HN 0.238 nan 8.270 nan 0.000 0.411 441 P HA -0.209 nan 4.420 nan 0.000 0.217 441 P C 1.146 178.224 177.300 -0.370 0.000 1.151 441 P CA 2.133 65.057 63.100 -0.293 0.000 0.849 441 P CB 0.242 31.858 31.700 -0.139 0.000 0.787 442 S N -1.851 113.630 115.700 -0.366 0.000 2.562 442 S HA -0.073 4.396 4.470 -0.001 0.000 0.221 442 S C 0.489 174.896 174.600 -0.321 0.000 0.975 442 S CA 0.072 58.134 58.200 -0.230 0.000 0.918 442 S CB -1.201 61.965 63.200 -0.055 0.000 0.772 442 S HN 0.429 nan 8.310 nan 0.000 0.531 443 H N -1.371 117.250 119.070 -0.749 0.000 2.562 443 H HA 0.449 5.004 4.556 -0.001 0.000 0.230 443 H C -3.219 170.942 175.328 -1.947 0.000 1.415 443 H CA -1.680 53.532 56.048 -1.393 0.000 1.454 443 H CB 0.319 29.567 29.762 -0.857 0.000 1.716 443 H HN 0.058 nan 8.280 nan 0.000 0.538 444 P HA 0.064 nan 4.420 nan 0.000 0.226 444 P C -1.226 175.450 177.300 -1.040 0.000 1.783 444 P CA 0.283 62.289 63.100 -1.825 0.000 0.980 444 P CB -1.080 30.110 31.700 -0.851 0.000 1.967 445 W N -0.312 120.638 121.300 -0.583 0.000 3.213 445 W HA 0.513 5.173 4.660 -0.001 0.000 0.318 445 W C -0.939 175.643 176.519 0.105 0.000 1.248 445 W CA -1.284 56.056 57.345 -0.009 0.000 1.187 445 W CB 0.048 29.529 29.460 0.036 0.000 1.403 445 W HN -0.013 nan 8.180 nan 0.000 0.556 446 H N 1.046 120.361 119.070 0.407 0.000 2.505 446 H HA 0.714 5.269 4.556 -0.001 0.000 0.351 446 H C -0.189 175.265 175.328 0.209 0.000 1.151 446 H CA 0.484 56.666 56.048 0.224 0.000 1.339 446 H CB 1.528 31.363 29.762 0.121 0.000 1.483 446 H HN 0.584 nan 8.280 nan 0.000 0.558 447 T N 2.011 116.167 114.554 -0.664 0.000 2.893 447 T HA 0.498 4.847 4.350 -0.001 0.000 0.293 447 T C -0.879 173.493 174.700 -0.546 0.000 1.027 447 T CA -1.119 60.638 62.100 -0.571 0.000 0.988 447 T CB 1.599 70.054 68.868 -0.689 0.000 1.043 447 T HN 0.678 nan 8.240 nan 0.000 0.461 448 Q N 2.009 121.693 119.800 -0.192 0.000 2.292 448 Q HA 0.567 4.907 4.340 -0.001 0.000 0.270 448 Q C -1.172 174.703 176.000 -0.209 0.000 1.024 448 Q CA -0.641 54.969 55.803 -0.321 0.000 0.768 448 Q CB 2.578 30.979 28.738 -0.563 0.000 1.250 448 Q HN 0.721 nan 8.270 nan 0.000 0.447 449 I N 3.613 124.032 120.570 -0.252 0.000 2.537 449 I HA 0.365 4.535 4.170 -0.001 0.000 0.276 449 I C -0.404 175.605 176.117 -0.180 0.000 1.063 449 I CA -0.301 60.743 61.300 -0.425 0.000 1.144 449 I CB 0.366 37.975 38.000 -0.652 0.000 1.252 449 I HN 0.765 nan 8.210 nan 0.000 0.480 450 H N 3.604 122.489 119.070 -0.308 0.000 3.001 450 H HA 0.668 5.223 4.556 -0.001 0.000 0.266 450 H C -1.217 174.034 175.328 -0.128 0.000 1.532 450 H CA -1.344 54.594 56.048 -0.183 0.000 1.187 450 H CB 1.442 31.116 29.762 -0.146 0.000 1.881 450 H HN 0.109 nan 8.280 nan 0.000 0.643 451 R N 1.262 121.568 120.500 -0.324 0.000 2.574 451 R HA 0.280 4.619 4.340 -0.001 0.000 0.288 451 R C -1.595 174.461 176.300 -0.405 0.000 1.004 451 R CA -0.576 55.323 56.100 -0.335 0.000 0.895 451 R CB 1.885 32.121 30.300 -0.107 0.000 1.191 451 R HN 0.941 nan 8.270 nan 0.000 0.444 452 D N 0.497 120.678 120.400 -0.366 0.000 2.566 452 D HA 0.468 5.107 4.640 -0.001 0.000 0.254 452 D C -0.538 175.747 176.300 -0.026 0.000 1.090 452 D CA -0.775 53.106 54.000 -0.198 0.000 1.034 452 D CB 0.843 41.512 40.800 -0.218 0.000 1.434 452 D HN 0.401 nan 8.370 nan 0.000 0.509 453 A N -0.226 122.603 122.820 0.015 0.000 2.587 453 A HA 0.379 4.698 4.320 -0.001 0.000 0.235 453 A C -0.713 176.945 177.584 0.123 0.000 1.044 453 A CA 0.240 52.337 52.037 0.100 0.000 0.754 453 A CB -0.668 18.419 19.000 0.145 0.000 0.968 453 A HN 0.496 nan 8.150 nan 0.000 0.509 454 F N 1.530 121.422 119.950 -0.097 0.000 2.619 454 F HA 0.498 5.024 4.527 -0.001 0.000 0.308 454 F C 0.247 175.882 175.800 -0.275 0.000 1.097 454 F CA -0.136 57.698 58.000 -0.276 0.000 0.953 454 F CB 1.990 40.687 39.000 -0.505 0.000 1.287 454 F HN 0.595 nan 8.300 nan 0.000 0.446 455 S N 4.096 119.254 115.700 -0.903 0.000 2.464 455 S HA 0.420 4.889 4.470 -0.001 0.000 0.313 455 S C -1.178 173.140 174.600 -0.470 0.000 1.078 455 S CA -0.403 57.495 58.200 -0.502 0.000 1.096 455 S CB -0.559 62.411 63.200 -0.384 0.000 1.032 455 S HN 0.467 nan 8.310 nan 0.000 0.498 456 Y N 2.491 122.838 120.300 0.079 0.000 2.377 456 Y HA 0.461 5.010 4.550 -0.001 0.000 0.330 456 Y C 1.584 177.539 175.900 0.092 0.000 1.108 456 Y CA 0.252 58.484 58.100 0.220 0.000 1.308 456 Y CB 0.364 38.974 38.460 0.251 0.000 1.216 456 Y HN 0.859 nan 8.280 nan 0.000 0.518 457 G N 1.174 110.116 108.800 0.237 0.000 2.690 457 G HA2 0.229 4.188 3.960 -0.001 0.000 0.239 457 G HA3 0.229 4.188 3.960 -0.001 0.000 0.239 457 G C 0.913 175.902 174.900 0.149 0.000 1.233 457 G CA -0.045 45.144 45.100 0.148 0.000 0.847 457 G HN 0.906 nan 8.290 nan 0.000 0.588 458 A N 0.252 123.129 122.820 0.094 0.000 1.933 458 A HA -0.021 4.298 4.320 -0.001 0.000 0.218 458 A C 2.528 180.155 177.584 0.071 0.000 1.175 458 A CA 1.967 54.048 52.037 0.074 0.000 0.628 458 A CB -0.482 18.549 19.000 0.050 0.000 0.814 458 A HN 0.564 nan 8.150 nan 0.000 0.444 459 V N -0.067 119.892 119.914 0.075 0.000 2.379 459 V HA -0.284 3.835 4.120 -0.001 0.000 0.245 459 V C 2.575 178.714 176.094 0.075 0.000 1.044 459 V CA 2.085 64.424 62.300 0.065 0.000 1.036 459 V CB -0.941 30.918 31.823 0.061 0.000 0.664 459 V HN 0.638 nan 8.190 nan 0.000 0.453 460 Q N -0.302 119.572 119.800 0.123 0.000 2.170 460 Q HA -0.269 4.070 4.340 -0.001 0.000 0.203 460 Q C 2.241 178.270 176.000 0.048 0.000 0.976 460 Q CA 1.472 57.361 55.803 0.142 0.000 0.858 460 Q CB -0.252 28.687 28.738 0.335 0.000 0.907 460 Q HN 0.674 nan 8.270 nan 0.000 0.433 461 Q N -0.086 119.753 119.800 0.066 0.000 2.443 461 Q HA -0.115 4.224 4.340 -0.001 0.000 0.213 461 Q C 1.965 177.956 176.000 -0.016 0.000 0.982 461 Q CA 0.811 56.614 55.803 0.000 0.000 0.894 461 Q CB -0.046 28.721 28.738 0.048 0.000 0.947 461 Q HN 0.157 nan 8.270 nan 0.000 0.480 462 S N -0.244 115.458 115.700 0.004 0.000 2.453 462 S HA -0.024 4.445 4.470 -0.001 0.000 0.231 462 S C 0.692 175.284 174.600 -0.014 0.000 1.005 462 S CA 0.206 58.406 58.200 0.001 0.000 0.949 462 S CB 0.225 63.433 63.200 0.014 0.000 0.774 462 S HN 0.154 nan 8.310 nan 0.000 0.510 463 I N 2.711 123.259 120.570 -0.036 0.000 2.365 463 I HA 0.252 4.421 4.170 -0.001 0.000 0.291 463 I C 0.340 176.412 176.117 -0.075 0.000 1.004 463 I CA -0.908 60.364 61.300 -0.046 0.000 1.311 463 I CB 0.794 38.766 38.000 -0.048 0.000 1.401 463 I HN 0.141 nan 8.210 nan 0.000 0.491 464 D N 4.285 124.659 120.400 -0.043 0.000 2.487 464 D HA -0.065 4.575 4.640 -0.001 0.000 0.243 464 D C 1.231 177.490 176.300 -0.067 0.000 1.154 464 D CA 0.211 54.192 54.000 -0.033 0.000 0.876 464 D CB 1.168 41.971 40.800 0.006 0.000 1.161 464 D HN 0.658 nan 8.370 nan 0.000 0.478 465 S N 4.380 120.030 115.700 -0.084 0.000 2.419 465 S HA -0.191 4.278 4.470 -0.001 0.000 0.233 465 S C 1.712 176.282 174.600 -0.050 0.000 1.016 465 S CA 0.592 58.727 58.200 -0.107 0.000 0.974 465 S CB -0.061 63.088 63.200 -0.086 0.000 0.786 465 S HN 0.559 nan 8.310 nan 0.000 0.492 466 R N 0.818 121.302 120.500 -0.026 0.000 2.200 466 R HA 0.114 4.453 4.340 -0.001 0.000 0.234 466 R C 1.904 178.184 176.300 -0.034 0.000 1.127 466 R CA 1.279 57.360 56.100 -0.033 0.000 0.989 466 R CB -0.588 29.680 30.300 -0.053 0.000 0.869 466 R HN 0.467 nan 8.270 nan 0.000 0.459 467 L N 0.265 121.470 121.223 -0.030 0.000 2.418 467 L HA 0.080 4.419 4.340 -0.001 0.000 0.218 467 L C 0.747 177.617 176.870 -0.000 0.000 1.125 467 L CA 0.287 55.117 54.840 -0.017 0.000 0.835 467 L CB 0.020 42.068 42.059 -0.017 0.000 0.953 467 L HN 0.063 nan 8.230 nan 0.000 0.454 468 I N 0.126 120.690 120.570 -0.010 0.000 2.396 468 I HA 0.226 4.395 4.170 -0.001 0.000 0.292 468 I C -0.562 175.574 176.117 0.031 0.000 0.999 468 I CA -0.361 60.948 61.300 0.015 0.000 1.310 468 I CB 1.720 39.716 38.000 -0.008 0.000 1.404 468 I HN -0.296 nan 8.210 nan 0.000 0.496 469 V N 4.742 124.699 119.914 0.070 0.000 2.656 469 V HA 0.333 4.452 4.120 -0.001 0.000 0.307 469 V C -0.801 175.308 176.094 0.024 0.000 1.051 469 V CA -0.883 61.431 62.300 0.024 0.000 0.893 469 V CB 2.033 33.878 31.823 0.037 0.000 0.999 469 V HN 0.572 nan 8.190 nan 0.000 0.426 470 D N 2.528 122.867 120.400 -0.102 0.000 2.210 470 D HA 0.455 5.094 4.640 -0.001 0.000 0.249 470 D C -0.998 175.214 176.300 -0.147 0.000 1.062 470 D CA 0.101 54.074 54.000 -0.046 0.000 0.891 470 D CB 1.323 42.105 40.800 -0.030 0.000 1.186 470 D HN 0.456 nan 8.370 nan 0.000 0.432 471 W N 1.419 122.696 121.300 -0.039 0.000 2.538 471 W HA 0.436 5.095 4.660 -0.001 0.000 0.322 471 W C 0.182 176.741 176.519 0.067 0.000 1.028 471 W CA -0.840 56.519 57.345 0.024 0.000 1.228 471 W CB 1.203 30.554 29.460 -0.182 0.000 1.356 471 W HN -0.069 nan 8.180 nan 0.000 0.452 472 R N 2.974 123.691 120.500 0.362 0.000 2.451 472 R HA 0.523 4.862 4.340 -0.001 0.000 0.307 472 R C -1.497 174.982 176.300 0.299 0.000 0.965 472 R CA -0.860 55.356 56.100 0.193 0.000 0.865 472 R CB 1.581 31.956 30.300 0.125 0.000 1.174 472 R HN 0.163 nan 8.270 nan 0.000 0.455 473 F N 3.059 122.872 119.950 -0.229 0.000 2.458 473 F HA 0.486 5.012 4.527 -0.001 0.000 0.336 473 F C -0.359 175.342 175.800 -0.166 0.000 1.114 473 F CA -1.522 56.434 58.000 -0.073 0.000 0.987 473 F CB 1.093 40.003 39.000 -0.149 0.000 1.130 473 F HN 0.306 nan 8.300 nan 0.000 0.458 474 F N 1.484 121.602 119.950 0.280 0.000 2.427 474 F HA 0.623 5.150 4.527 -0.001 0.000 0.348 474 F C 0.688 176.672 175.800 0.307 0.000 1.125 474 F CA -1.160 57.000 58.000 0.268 0.000 0.989 474 F CB 1.302 40.489 39.000 0.312 0.000 1.165 474 F HN 0.522 nan 8.300 nan 0.000 0.442 475 G N 2.374 111.398 108.800 0.372 0.000 2.476 475 G HA2 0.574 4.534 3.960 -0.001 0.000 0.286 475 G HA3 0.574 4.534 3.960 -0.001 0.000 0.286 475 G C -0.622 174.450 174.900 0.286 0.000 1.177 475 G CA -0.996 44.309 45.100 0.340 0.000 0.870 475 G HN 0.715 nan 8.290 nan 0.000 0.528 476 R N -0.648 120.023 120.500 0.284 0.000 2.486 476 R HA 0.655 4.995 4.340 -0.001 0.000 0.286 476 R C -0.981 175.403 176.300 0.142 0.000 0.999 476 R CA -0.578 55.611 56.100 0.148 0.000 0.993 476 R CB 1.210 31.612 30.300 0.169 0.000 1.084 476 R HN 0.260 nan 8.270 nan 0.000 0.487 477 T N 1.861 116.464 114.554 0.081 0.000 2.809 477 T HA 0.113 4.463 4.350 -0.001 0.000 0.284 477 T C -0.763 174.008 174.700 0.119 0.000 0.992 477 T CA -0.632 61.569 62.100 0.169 0.000 0.957 477 T CB 1.259 70.302 68.868 0.292 0.000 0.942 477 T HN 0.676 nan 8.240 nan 0.000 0.439 478 E N 4.556 124.831 120.200 0.125 0.000 2.480 478 E HA 0.053 4.402 4.350 -0.001 0.000 0.258 478 E C -2.156 174.520 176.600 0.126 0.000 0.984 478 E CA -1.350 55.116 56.400 0.111 0.000 0.930 478 E CB 0.462 30.220 29.700 0.096 0.000 0.936 478 E HN 0.182 nan 8.360 nan 0.000 0.466 479 P HA 0.081 nan 4.420 nan 0.000 0.271 479 P C -1.246 176.208 177.300 0.258 0.000 1.233 479 P CA 0.205 63.443 63.100 0.230 0.000 0.764 479 P CB 0.588 32.439 31.700 0.251 0.000 0.825 480 K N 2.695 123.190 120.400 0.158 0.000 2.378 480 K HA 0.173 4.492 4.320 -0.001 0.000 0.252 480 K C 0.944 177.382 176.600 -0.271 0.000 0.931 480 K CA -0.692 55.604 56.287 0.016 0.000 0.794 480 K CB 2.279 34.750 32.500 -0.048 0.000 1.181 480 K HN 0.432 nan 8.250 nan 0.000 0.425 481 E N 2.233 122.122 120.200 -0.519 0.000 2.118 481 E HA -0.216 4.133 4.350 -0.001 0.000 0.195 481 E C 0.969 177.309 176.600 -0.433 0.000 0.992 481 E CA 1.477 57.312 56.400 -0.942 0.000 0.804 481 E CB 0.486 29.840 29.700 -0.575 0.000 0.741 481 E HN 0.554 nan 8.360 nan 0.000 0.458 482 E N 0.407 120.462 120.200 -0.241 0.000 2.338 482 E HA -0.121 4.228 4.350 -0.001 0.000 0.197 482 E C 0.046 176.583 176.600 -0.105 0.000 1.007 482 E CA 0.354 56.667 56.400 -0.145 0.000 0.849 482 E CB -0.329 29.302 29.700 -0.114 0.000 0.774 482 E HN 0.075 nan 8.360 nan 0.000 0.506 483 N N 2.059 120.686 118.700 -0.121 0.000 2.401 483 N HA 0.167 4.906 4.740 -0.001 0.000 0.255 483 N C -0.756 174.812 175.510 0.097 0.000 1.110 483 N CA 0.189 53.222 53.050 -0.027 0.000 0.949 483 N CB 1.043 39.476 38.487 -0.090 0.000 1.110 483 N HN 0.121 nan 8.380 nan 0.000 0.490 484 K N 1.177 121.688 120.400 0.185 0.000 2.426 484 K HA 0.457 4.776 4.320 -0.001 0.000 0.251 484 K C -1.085 175.671 176.600 0.260 0.000 0.941 484 K CA -0.918 55.496 56.287 0.212 0.000 0.808 484 K CB 2.338 34.968 32.500 0.216 0.000 1.265 484 K HN 0.167 nan 8.250 nan 0.000 0.432 485 L N 4.221 125.548 121.223 0.174 0.000 2.298 485 L HA 0.552 4.891 4.340 -0.001 0.000 0.284 485 L C -1.262 175.568 176.870 -0.066 0.000 1.013 485 L CA -0.108 54.676 54.840 -0.093 0.000 0.824 485 L CB 0.426 42.438 42.059 -0.079 0.000 1.221 485 L HN 0.681 nan 8.230 nan 0.000 0.418 486 W N 3.688 124.724 121.300 -0.440 0.000 2.967 486 W HA 0.641 5.301 4.660 -0.001 0.000 0.342 486 W C -2.089 173.984 176.519 -0.743 0.000 1.162 486 W CA -1.254 55.884 57.345 -0.346 0.000 1.085 486 W CB 0.849 30.243 29.460 -0.110 0.000 1.460 486 W HN 0.325 nan 8.180 nan 0.000 0.584 487 F N 1.398 121.522 119.950 0.289 0.000 2.529 487 F HA 0.335 4.861 4.527 -0.001 0.000 0.320 487 F C 0.816 176.764 175.800 0.247 0.000 1.118 487 F CA -0.943 57.116 58.000 0.099 0.000 0.915 487 F CB 2.073 41.117 39.000 0.075 0.000 1.161 487 F HN 0.242 nan 8.300 nan 0.000 0.445 488 S N 1.221 117.042 115.700 0.201 0.000 2.549 488 S HA 0.021 4.490 4.470 -0.001 0.000 0.286 488 S C 0.791 175.531 174.600 0.233 0.000 1.314 488 S CA -0.490 57.856 58.200 0.244 0.000 1.062 488 S CB 0.288 63.546 63.200 0.097 0.000 0.865 488 S HN 0.692 nan 8.310 nan 0.000 0.498 489 D N 2.985 123.515 120.400 0.217 0.000 2.340 489 D HA 0.122 4.761 4.640 -0.001 0.000 0.220 489 D C 0.996 177.358 176.300 0.104 0.000 1.039 489 D CA 0.313 54.398 54.000 0.142 0.000 0.866 489 D CB 0.225 41.093 40.800 0.113 0.000 0.913 489 D HN 0.259 nan 8.370 nan 0.000 0.523 490 K N -0.240 120.224 120.400 0.108 0.000 2.485 490 K HA 0.241 4.561 4.320 -0.001 0.000 0.200 490 K C 0.152 176.792 176.600 0.068 0.000 1.352 490 K CA 0.057 56.392 56.287 0.079 0.000 0.953 490 K CB 0.789 33.337 32.500 0.079 0.000 1.387 490 K HN 0.034 nan 8.250 nan 0.000 0.512 491 I N 2.772 123.384 120.570 0.069 0.000 2.440 491 I HA 0.228 4.397 4.170 -0.001 0.000 0.294 491 I C 0.495 176.646 176.117 0.055 0.000 0.995 491 I CA -0.250 61.079 61.300 0.049 0.000 1.306 491 I CB 1.106 39.123 38.000 0.028 0.000 1.407 491 I HN 0.113 nan 8.210 nan 0.000 0.501 492 T N 0.751 115.334 114.554 0.049 0.000 2.916 492 T HA 0.574 4.923 4.350 -0.001 0.000 0.292 492 T C -0.396 174.337 174.700 0.056 0.000 1.055 492 T CA -0.897 61.239 62.100 0.060 0.000 1.009 492 T CB 2.416 71.315 68.868 0.051 0.000 1.118 492 T HN 0.555 nan 8.240 nan 0.000 0.497 493 D N 0.766 121.215 120.400 0.082 0.000 2.469 493 D HA 0.460 5.099 4.640 -0.001 0.000 0.278 493 D C 1.588 177.924 176.300 0.059 0.000 1.231 493 D CA -0.397 53.656 54.000 0.089 0.000 1.075 493 D CB -0.046 40.846 40.800 0.154 0.000 1.121 493 D HN 0.667 nan 8.370 nan 0.000 0.571 494 A N -1.481 121.364 122.820 0.042 0.000 2.121 494 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 494 A C 1.117 178.524 177.584 -0.295 0.000 1.154 494 A CA 0.737 52.701 52.037 -0.122 0.000 0.679 494 A CB -0.926 17.971 19.000 -0.171 0.000 0.795 494 A HN 0.537 nan 8.150 nan 0.000 0.458 495 Y N -1.079 119.239 120.300 0.030 0.000 2.625 495 Y HA 0.233 4.782 4.550 -0.001 0.000 0.285 495 Y C 0.718 176.635 175.900 0.028 0.000 1.168 495 Y CA -0.272 57.849 58.100 0.034 0.000 1.250 495 Y CB -0.501 37.967 38.460 0.013 0.000 1.130 495 Y HN 0.437 nan 8.280 nan 0.000 0.526 496 N N 0.076 118.834 118.700 0.096 0.000 2.725 496 N HA -0.180 4.559 4.740 -0.001 0.000 0.249 496 N C -0.664 174.886 175.510 0.067 0.000 1.103 496 N CA 0.511 53.596 53.050 0.060 0.000 0.707 496 N CB -0.422 38.079 38.487 0.025 0.000 1.043 496 N HN 0.150 nan 8.380 nan 0.000 0.553 497 M N -0.327 119.330 119.600 0.096 0.000 2.598 497 M HA 0.437 4.917 4.480 -0.001 0.000 0.317 497 M C -2.142 174.216 176.300 0.097 0.000 1.201 497 M CA -2.025 53.319 55.300 0.074 0.000 0.971 497 M CB 0.745 33.387 32.600 0.070 0.000 1.657 497 M HN -0.262 nan 8.290 nan 0.000 0.470 498 P HA -0.002 nan 4.420 nan 0.000 0.264 498 P C -0.662 176.796 177.300 0.263 0.000 1.183 498 P CA 0.068 63.264 63.100 0.161 0.000 0.763 498 P CB 0.257 32.057 31.700 0.166 0.000 0.807 499 Q N 6.664 126.564 119.800 0.167 0.000 2.286 499 Q HA 0.181 4.520 4.340 -0.001 0.000 0.267 499 Q C -2.255 173.709 176.000 -0.060 0.000 1.028 499 Q CA -2.067 53.779 55.803 0.072 0.000 0.901 499 Q CB -0.179 28.551 28.738 -0.014 0.000 1.183 499 Q HN 0.287 nan 8.270 nan 0.000 0.392 500 P HA 0.082 nan 4.420 nan 0.000 0.268 500 P C -1.041 175.760 177.300 -0.832 0.000 1.205 500 P CA -0.061 62.605 63.100 -0.724 0.000 0.771 500 P CB 0.936 32.335 31.700 -0.501 0.000 0.858 501 T N 2.996 116.826 114.554 -1.207 0.000 2.971 501 T HA 0.478 4.828 4.350 -0.001 0.000 0.304 501 T C -0.560 173.445 174.700 -1.158 0.000 1.038 501 T CA -0.150 61.253 62.100 -1.162 0.000 1.007 501 T CB 0.466 68.347 68.868 -1.645 0.000 1.055 501 T HN 0.045 nan 8.240 nan 0.000 0.451 502 F N 1.996 121.676 119.950 -0.450 0.000 2.399 502 F HA 0.515 5.042 4.527 -0.001 0.000 0.334 502 F C 0.713 176.471 175.800 -0.069 0.000 1.097 502 F CA -0.908 56.957 58.000 -0.225 0.000 1.076 502 F CB 0.990 39.906 39.000 -0.141 0.000 1.162 502 F HN 0.398 nan 8.300 nan 0.000 0.495 503 D N 3.464 124.040 120.400 0.295 0.000 2.420 503 D HA 0.244 4.883 4.640 -0.001 0.000 0.255 503 D C -1.770 174.664 176.300 0.224 0.000 1.185 503 D CA -0.136 54.023 54.000 0.264 0.000 0.904 503 D CB 0.287 41.272 40.800 0.308 0.000 1.102 503 D HN 0.304 nan 8.370 nan 0.000 0.534 504 F N 3.485 123.434 119.950 -0.001 0.000 2.574 504 F HA 0.560 5.086 4.527 -0.001 0.000 0.313 504 F C -1.183 174.513 175.800 -0.173 0.000 1.130 504 F CA -0.618 57.313 58.000 -0.114 0.000 0.936 504 F CB 1.307 40.177 39.000 -0.217 0.000 1.219 504 F HN 0.027 nan 8.300 nan 0.000 0.445 505 R N 4.286 124.287 120.500 -0.832 0.000 2.771 505 R HA 0.375 4.715 4.340 -0.001 0.000 0.274 505 R C -1.606 174.091 176.300 -1.004 0.000 0.987 505 R CA -1.012 54.702 56.100 -0.645 0.000 0.908 505 R CB 1.645 31.773 30.300 -0.286 0.000 1.213 505 R HN 0.570 nan 8.270 nan 0.000 0.468 506 F N 2.757 122.500 119.950 -0.345 0.000 2.578 506 F HA 0.175 4.702 4.527 -0.001 0.000 0.381 506 F C -1.315 174.365 175.800 -0.200 0.000 1.069 506 F CA -1.153 56.724 58.000 -0.205 0.000 1.231 506 F CB -0.126 38.870 39.000 -0.007 0.000 1.086 506 F HN 0.120 nan 8.300 nan 0.000 0.564 507 P HA 0.099 nan 4.420 nan 0.000 0.265 507 P C -0.522 176.791 177.300 0.021 0.000 1.193 507 P CA -0.128 62.951 63.100 -0.035 0.000 0.765 507 P CB 0.533 32.227 31.700 -0.011 0.000 0.823 508 A N 2.994 125.813 122.820 -0.002 0.000 2.429 508 A HA 0.514 4.833 4.320 -0.001 0.000 0.242 508 A C 1.147 178.745 177.584 0.022 0.000 1.088 508 A CA 0.922 52.964 52.037 0.008 0.000 0.784 508 A CB -1.016 17.981 19.000 -0.004 0.000 1.038 508 A HN 0.837 nan 8.150 nan 0.000 0.501 509 G N 0.007 108.822 108.800 0.025 0.000 2.503 509 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.235 509 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.235 509 G C 0.985 175.913 174.900 0.048 0.000 1.179 509 G CA 0.702 45.822 45.100 0.034 0.000 0.944 509 G HN 1.012 nan 8.290 nan 0.000 0.580 510 R N -0.200 120.335 120.500 0.058 0.000 2.103 510 R HA -0.103 4.236 4.340 -0.001 0.000 0.242 510 R C 2.803 179.158 176.300 0.091 0.000 1.142 510 R CA 2.818 58.962 56.100 0.074 0.000 0.960 510 R CB -0.895 29.451 30.300 0.076 0.000 0.858 510 R HN 0.623 nan 8.270 nan 0.000 0.439 511 T N -0.065 114.546 114.554 0.095 0.000 2.708 511 T HA -0.101 4.248 4.350 -0.001 0.000 0.266 511 T C 1.931 176.684 174.700 0.087 0.000 1.037 511 T CA 1.768 63.939 62.100 0.119 0.000 1.146 511 T CB -0.157 68.804 68.868 0.155 0.000 0.865 511 T HN 0.270 nan 8.240 nan 0.000 0.435 512 S N 0.606 116.342 115.700 0.060 0.000 2.371 512 S HA -0.028 4.442 4.470 -0.001 0.000 0.224 512 S C 2.025 176.635 174.600 0.015 0.000 1.029 512 S CA 0.996 59.204 58.200 0.012 0.000 0.978 512 S CB -0.191 63.012 63.200 0.005 0.000 0.833 512 S HN 0.501 nan 8.310 nan 0.000 0.466 513 K N 1.381 121.807 120.400 0.043 0.000 2.032 513 K HA -0.156 4.163 4.320 -0.001 0.000 0.209 513 K C 1.932 178.588 176.600 0.093 0.000 1.048 513 K CA 1.590 57.912 56.287 0.057 0.000 0.927 513 K CB -0.138 32.400 32.500 0.064 0.000 0.712 513 K HN 0.350 nan 8.250 nan 0.000 0.441 514 E N -0.162 120.118 120.200 0.133 0.000 2.110 514 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 514 E C 1.979 178.677 176.600 0.163 0.000 0.988 514 E CA 0.884 57.423 56.400 0.231 0.000 0.804 514 E CB -0.105 29.759 29.700 0.274 0.000 0.745 514 E HN 0.466 nan 8.360 nan 0.000 0.458 515 A N 1.426 124.307 122.820 0.101 0.000 1.908 515 A HA -0.256 4.063 4.320 -0.001 0.000 0.218 515 A C 2.088 179.750 177.584 0.130 0.000 1.181 515 A CA 1.828 53.920 52.037 0.091 0.000 0.627 515 A CB -0.369 18.635 19.000 0.007 0.000 0.818 515 A HN 0.134 nan 8.150 nan 0.000 0.445 516 E N 0.414 120.666 120.200 0.086 0.000 2.107 516 E HA -0.137 4.212 4.350 -0.001 0.000 0.191 516 E C 1.342 177.934 176.600 -0.013 0.000 0.982 516 E CA 1.440 57.892 56.400 0.086 0.000 0.809 516 E CB -0.297 29.424 29.700 0.035 0.000 0.756 516 E HN 0.512 nan 8.360 nan 0.000 0.459 517 D N -0.076 120.313 120.400 -0.019 0.000 2.149 517 D HA -0.185 4.454 4.640 -0.001 0.000 0.198 517 D C 1.914 177.973 176.300 -0.403 0.000 0.990 517 D CA 1.186 55.159 54.000 -0.046 0.000 0.839 517 D CB -0.318 40.584 40.800 0.169 0.000 0.948 517 D HN 0.311 nan 8.370 nan 0.000 0.460 518 M N -0.264 118.887 119.600 -0.749 0.000 2.086 518 M HA -0.212 4.267 4.480 -0.001 0.000 0.261 518 M C 2.076 177.972 176.300 -0.673 0.000 1.067 518 M CA 1.257 55.788 55.300 -1.282 0.000 1.116 518 M CB -0.015 32.066 32.600 -0.865 0.000 1.348 518 M HN -0.032 nan 8.290 nan 0.000 0.407 519 M N 0.410 119.745 119.600 -0.441 0.000 2.073 519 M HA -0.186 4.293 4.480 -0.001 0.000 0.258 519 M C 1.819 177.918 176.300 -0.335 0.000 1.070 519 M CA 2.529 57.574 55.300 -0.426 0.000 1.103 519 M CB -1.063 31.364 32.600 -0.288 0.000 1.321 519 M HN 0.282 nan 8.290 nan 0.000 0.405 520 T N -0.065 114.357 114.554 -0.220 0.000 2.746 520 T HA -0.170 4.179 4.350 -0.001 0.000 0.267 520 T C 1.500 176.127 174.700 -0.122 0.000 1.039 520 T CA 1.809 63.829 62.100 -0.133 0.000 1.142 520 T CB -0.623 68.211 68.868 -0.058 0.000 0.866 520 T HN 0.546 nan 8.240 nan 0.000 0.444 521 D N 0.478 120.799 120.400 -0.132 0.000 2.117 521 D HA -0.072 4.567 4.640 -0.001 0.000 0.197 521 D C 2.068 178.362 176.300 -0.011 0.000 0.987 521 D CA 0.876 54.910 54.000 0.057 0.000 0.829 521 D CB -0.216 40.720 40.800 0.226 0.000 0.961 521 D HN 0.282 nan 8.370 nan 0.000 0.460 522 M N -0.468 118.890 119.600 -0.404 0.000 2.086 522 M HA -0.196 4.284 4.480 -0.001 0.000 0.261 522 M C 2.027 178.032 176.300 -0.490 0.000 1.067 522 M CA 1.407 56.197 55.300 -0.849 0.000 1.116 522 M CB -0.204 31.658 32.600 -1.231 0.000 1.348 522 M HN 0.214 nan 8.290 nan 0.000 0.407 523 C N -0.335 118.776 119.300 -0.315 0.000 2.413 523 C HA -0.144 4.315 4.460 -0.001 0.000 0.276 523 C C 2.674 177.572 174.990 -0.153 0.000 1.236 523 C CA 1.055 59.994 59.018 -0.131 0.000 1.735 523 C CB -1.097 26.612 27.740 -0.051 0.000 2.031 523 C HN 0.515 nan 8.230 nan 0.000 0.474 524 V N 0.459 120.314 119.914 -0.098 0.000 2.307 524 V HA -0.274 3.845 4.120 -0.001 0.000 0.245 524 V C 2.379 178.454 176.094 -0.031 0.000 1.045 524 V CA 2.261 64.534 62.300 -0.045 0.000 1.024 524 V CB -0.672 31.175 31.823 0.040 0.000 0.651 524 V HN 0.596 nan 8.190 nan 0.000 0.449 525 M N 0.799 120.421 119.600 0.037 0.000 2.132 525 M HA -0.157 4.323 4.480 -0.001 0.000 0.263 525 M C 2.483 178.680 176.300 -0.171 0.000 1.065 525 M CA 2.250 57.650 55.300 0.166 0.000 1.122 525 M CB -0.200 32.654 32.600 0.423 0.000 1.365 525 M HN 0.549 nan 8.290 nan 0.000 0.411 526 S N 0.675 115.949 115.700 -0.711 0.000 2.400 526 S HA -0.099 4.370 4.470 -0.001 0.000 0.232 526 S C 2.004 176.231 174.600 -0.622 0.000 1.025 526 S CA 1.092 58.485 58.200 -1.346 0.000 0.993 526 S CB -0.932 61.226 63.200 -1.736 0.000 0.808 526 S HN 0.589 nan 8.310 nan 0.000 0.478 527 A N 2.191 124.744 122.820 -0.446 0.000 2.019 527 A HA -0.055 4.265 4.320 -0.001 0.000 0.219 527 A C 2.180 179.645 177.584 -0.198 0.000 1.164 527 A CA 1.472 53.304 52.037 -0.342 0.000 0.644 527 A CB -0.592 18.232 19.000 -0.294 0.000 0.805 527 A HN 0.663 nan 8.150 nan 0.000 0.449 528 K N -0.698 119.631 120.400 -0.120 0.000 2.283 528 K HA -0.017 4.303 4.320 -0.001 0.000 0.202 528 K C 1.178 177.775 176.600 -0.004 0.000 1.048 528 K CA 0.925 57.187 56.287 -0.041 0.000 0.948 528 K CB -0.048 32.465 32.500 0.022 0.000 0.742 528 K HN 0.422 nan 8.250 nan 0.000 0.458 529 I N -0.850 119.732 120.570 0.019 0.000 3.172 529 I HA 0.159 4.328 4.170 -0.001 0.000 0.278 529 I C 1.108 177.240 176.117 0.026 0.000 1.174 529 I CA 0.557 61.915 61.300 0.096 0.000 1.445 529 I CB 0.094 38.288 38.000 0.323 0.000 1.175 529 I HN 0.121 nan 8.210 nan 0.000 0.447 530 G N -0.572 108.189 108.800 -0.065 0.000 2.322 530 G HA2 0.450 4.409 3.960 -0.001 0.000 0.295 530 G HA3 0.450 4.409 3.960 -0.001 0.000 0.295 530 G C -0.705 174.049 174.900 -0.244 0.000 1.369 530 G CA -0.163 44.872 45.100 -0.109 0.000 0.821 530 G HN 0.279 nan 8.290 nan 0.000 0.536 531 G N -1.179 107.477 108.800 -0.239 0.000 2.562 531 G HA2 0.568 4.527 3.960 -0.001 0.000 0.275 531 G HA3 0.568 4.527 3.960 -0.001 0.000 0.275 531 G C -0.361 174.362 174.900 -0.295 0.000 1.196 531 G CA -0.567 44.301 45.100 -0.386 0.000 0.908 531 G HN 0.443 nan 8.290 nan 0.000 0.524 532 F N -0.636 119.220 119.950 -0.156 0.000 2.518 532 F HA 0.198 4.724 4.527 -0.001 0.000 0.359 532 F C 0.714 176.454 175.800 -0.100 0.000 1.118 532 F CA -0.810 57.091 58.000 -0.164 0.000 1.287 532 F CB 0.741 39.636 39.000 -0.175 0.000 1.132 532 F HN 0.143 nan 8.300 nan 0.000 0.587 533 L N 6.324 127.612 121.223 0.109 0.000 2.369 533 L HA 0.370 4.709 4.340 -0.001 0.000 0.279 533 L C -2.358 174.557 176.870 0.074 0.000 1.108 533 L CA -1.893 52.989 54.840 0.070 0.000 0.852 533 L CB -0.036 42.059 42.059 0.061 0.000 1.169 533 L HN 0.299 nan 8.230 nan 0.000 0.452 534 P HA 0.161 nan 4.420 nan 0.000 0.264 534 P C 0.662 178.011 177.300 0.083 0.000 1.183 534 P CA 1.091 64.229 63.100 0.064 0.000 0.763 534 P CB 0.586 32.319 31.700 0.055 0.000 0.807 535 G N 1.971 110.815 108.800 0.073 0.000 2.225 535 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.254 535 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.254 535 G C 0.521 175.506 174.900 0.140 0.000 0.988 535 G CA 0.301 45.464 45.100 0.106 0.000 0.625 535 G HN 0.537 nan 8.290 nan 0.000 0.527 536 S N 0.624 116.377 115.700 0.088 0.000 2.665 536 S HA 0.496 4.966 4.470 -0.001 0.000 0.235 536 S C 0.431 174.934 174.600 -0.162 0.000 1.084 536 S CA -0.561 57.674 58.200 0.058 0.000 1.151 536 S CB 0.248 63.465 63.200 0.028 0.000 1.151 536 S HN 0.466 nan 8.310 nan 0.000 0.461 537 L N 2.753 123.878 121.223 -0.163 0.000 2.464 537 L HA 0.338 4.677 4.340 -0.001 0.000 0.264 537 L C -1.992 174.588 176.870 -0.483 0.000 1.199 537 L CA -2.143 52.469 54.840 -0.379 0.000 0.818 537 L CB -0.035 41.868 42.059 -0.260 0.000 1.102 537 L HN 0.076 nan 8.230 nan 0.000 0.473 538 P HA -0.024 nan 4.420 nan 0.000 0.261 538 P C -1.408 175.663 177.300 -0.381 0.000 1.183 538 P CA 0.201 62.913 63.100 -0.647 0.000 0.761 538 P CB 0.382 31.600 31.700 -0.804 0.000 0.785 539 Q N 1.993 121.614 119.800 -0.298 0.000 2.391 539 Q HA 0.487 4.826 4.340 -0.001 0.000 0.279 539 Q C -1.414 174.451 176.000 -0.224 0.000 1.028 539 Q CA -0.915 54.793 55.803 -0.158 0.000 0.836 539 Q CB 0.791 29.509 28.738 -0.032 0.000 1.414 539 Q HN 0.091 nan 8.270 nan 0.000 0.397 540 F N 1.679 121.582 119.950 -0.079 0.000 2.443 540 F HA 0.287 4.813 4.527 -0.001 0.000 0.353 540 F C 0.483 176.261 175.800 -0.037 0.000 1.101 540 F CA -0.234 57.721 58.000 -0.075 0.000 1.226 540 F CB 0.944 39.889 39.000 -0.091 0.000 1.140 540 F HN 0.417 nan 8.300 nan 0.000 0.557 541 M N 1.945 121.605 119.600 0.100 0.000 2.288 541 M HA 0.143 4.622 4.480 -0.001 0.000 0.334 541 M C 0.225 176.580 176.300 0.091 0.000 1.150 541 M CA -0.646 54.687 55.300 0.056 0.000 1.118 541 M CB 0.637 33.232 32.600 -0.008 0.000 1.501 541 M HN 0.587 nan 8.290 nan 0.000 0.462 542 E N 3.330 123.559 120.200 0.049 0.000 2.568 542 E HA -0.015 4.334 4.350 -0.001 0.000 0.262 542 E C -2.129 174.504 176.600 0.056 0.000 0.961 542 E CA -1.113 55.313 56.400 0.043 0.000 0.945 542 E CB 0.361 30.061 29.700 -0.001 0.000 0.924 542 E HN 0.208 nan 8.360 nan 0.000 0.467 543 P HA 0.038 nan 4.420 nan 0.000 0.262 543 P C 0.338 177.573 177.300 -0.108 0.000 1.199 543 P CA 1.064 64.206 63.100 0.070 0.000 0.763 543 P CB 0.637 32.361 31.700 0.041 0.000 0.790 544 G N 2.594 111.333 108.800 -0.103 0.000 2.195 544 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.246 544 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.246 544 G C 0.731 175.595 174.900 -0.060 0.000 0.984 544 G CA 0.197 45.196 45.100 -0.169 0.000 0.633 544 G HN 0.528 nan 8.290 nan 0.000 0.525 545 L N 1.038 122.248 121.223 -0.022 0.000 2.127 545 L HA 0.118 4.457 4.340 -0.001 0.000 0.211 545 L C 2.820 179.716 176.870 0.044 0.000 1.089 545 L CA 2.600 57.439 54.840 -0.002 0.000 0.757 545 L CB -0.392 41.657 42.059 -0.016 0.000 0.899 545 L HN 0.505 nan 8.230 nan 0.000 0.434 546 V N -0.148 119.814 119.914 0.081 0.000 2.568 546 V HA -0.191 3.928 4.120 -0.001 0.000 0.253 546 V C 1.564 177.778 176.094 0.200 0.000 1.072 546 V CA 1.334 63.739 62.300 0.174 0.000 1.084 546 V CB -0.327 31.632 31.823 0.226 0.000 0.676 546 V HN 0.506 nan 8.190 nan 0.000 0.469 547 L N 0.332 121.633 121.223 0.130 0.000 3.634 547 L HA -0.186 4.153 4.340 -0.001 0.000 0.423 547 L C 0.106 177.078 176.870 0.170 0.000 1.253 547 L CA 0.595 55.512 54.840 0.129 0.000 0.885 547 L CB -1.991 40.161 42.059 0.154 0.000 1.789 547 L HN 0.452 nan 8.230 nan 0.000 0.904 548 N N 0.560 119.367 118.700 0.179 0.000 2.416 548 N HA 0.259 4.998 4.740 -0.001 0.000 0.267 548 N C -0.146 175.503 175.510 0.233 0.000 1.294 548 N CA -0.377 52.823 53.050 0.249 0.000 0.891 548 N CB 0.589 39.271 38.487 0.324 0.000 1.238 548 N HN 0.220 nan 8.380 nan 0.000 0.508 549 L N 1.085 122.390 121.223 0.135 0.000 2.559 549 L HA 0.349 4.688 4.340 -0.001 0.000 0.274 549 L C 0.751 177.732 176.870 0.184 0.000 1.205 549 L CA 0.552 55.450 54.840 0.096 0.000 0.907 549 L CB 0.029 42.118 42.059 0.050 0.000 1.153 549 L HN 0.214 nan 8.230 nan 0.000 0.490 550 G N 1.926 110.853 108.800 0.211 0.000 2.733 550 G HA2 0.537 4.496 3.960 -0.001 0.000 0.288 550 G HA3 0.537 4.496 3.960 -0.001 0.000 0.288 550 G C 0.333 175.332 174.900 0.166 0.000 1.373 550 G CA -0.292 44.959 45.100 0.251 0.000 0.895 550 G HN 1.294 nan 8.290 nan 0.000 0.479 551 G N -1.302 107.568 108.800 0.117 0.000 2.162 551 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.260 551 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.260 551 G C 1.359 176.318 174.900 0.099 0.000 0.976 551 G CA 1.663 46.835 45.100 0.121 0.000 0.655 551 G HN 1.869 nan 8.290 nan 0.000 0.533 552 T N -2.058 112.506 114.554 0.017 0.000 2.995 552 T HA 0.121 4.470 4.350 -0.001 0.000 0.269 552 T C 1.107 175.886 174.700 0.131 0.000 1.091 552 T CA 1.887 64.039 62.100 0.086 0.000 1.128 552 T CB -0.268 68.660 68.868 0.101 0.000 0.891 552 T HN 1.531 nan 8.240 nan 0.000 0.492 553 H N -0.236 118.906 119.070 0.119 0.000 2.823 553 H HA 0.453 5.008 4.556 -0.001 0.000 0.222 553 H C -0.136 175.231 175.328 0.064 0.000 1.414 553 H CA -1.343 54.748 56.048 0.072 0.000 1.289 553 H CB -0.384 29.386 29.762 0.012 0.000 1.970 553 H HN 0.369 nan 8.280 nan 0.000 0.517 554 R N 0.668 121.243 120.500 0.126 0.000 2.641 554 R HA 0.313 4.653 4.340 -0.001 0.000 0.269 554 R C -0.345 176.009 176.300 0.090 0.000 1.074 554 R CA -0.738 55.411 56.100 0.081 0.000 1.133 554 R CB 1.008 31.357 30.300 0.081 0.000 1.029 554 R HN 0.455 nan 8.270 nan 0.000 0.488 555 M N 1.560 121.190 119.600 0.051 0.000 2.250 555 M HA 0.419 4.899 4.480 -0.001 0.000 0.344 555 M C -0.379 175.917 176.300 -0.007 0.000 1.150 555 M CA 0.449 55.756 55.300 0.011 0.000 1.147 555 M CB 1.408 33.992 32.600 -0.027 0.000 1.498 555 M HN 0.963 nan 8.290 nan 0.000 0.461 556 G N 2.063 110.863 108.800 0.000 0.000 2.495 556 G HA2 0.373 4.333 3.960 -0.001 0.000 0.294 556 G HA3 0.373 4.333 3.960 -0.001 0.000 0.294 556 G C -0.935 173.982 174.900 0.028 0.000 1.397 556 G CA -0.723 44.338 45.100 -0.065 0.000 0.790 556 G HN 0.657 nan 8.290 nan 0.000 0.486 557 F N -0.038 120.011 119.950 0.166 0.000 2.234 557 F HA 0.274 4.801 4.527 -0.001 0.000 0.296 557 F C 1.107 177.030 175.800 0.204 0.000 1.089 557 F CA 1.073 59.172 58.000 0.166 0.000 1.343 557 F CB 0.424 39.480 39.000 0.093 0.000 1.040 557 F HN 0.403 nan 8.300 nan 0.000 0.498 558 D N -0.997 119.561 120.400 0.263 0.000 2.788 558 D HA 0.121 4.760 4.640 -0.001 0.000 0.247 558 D C 0.692 176.839 176.300 -0.255 0.000 1.236 558 D CA -0.240 53.756 54.000 -0.007 0.000 0.898 558 D CB 1.248 42.064 40.800 0.026 0.000 1.401 558 D HN 0.087 nan 8.370 nan 0.000 0.549 559 E N 3.321 123.031 120.200 -0.818 0.000 2.049 559 E HA -0.300 4.049 4.350 -0.001 0.000 0.198 559 E C 1.320 177.744 176.600 -0.292 0.000 1.007 559 E CA 1.355 57.256 56.400 -0.831 0.000 0.809 559 E CB 0.258 29.296 29.700 -1.104 0.000 0.749 559 E HN 0.443 nan 8.360 nan 0.000 0.450 560 K N 0.090 120.361 120.400 -0.216 0.000 2.021 560 K HA -0.121 4.199 4.320 -0.001 0.000 0.205 560 K C 2.129 178.696 176.600 -0.056 0.000 1.047 560 K CA 1.386 57.617 56.287 -0.095 0.000 0.943 560 K CB 0.045 32.503 32.500 -0.070 0.000 0.725 560 K HN 0.098 nan 8.250 nan 0.000 0.439 561 E N 0.132 120.303 120.200 -0.049 0.000 2.150 561 E HA -0.136 4.213 4.350 -0.001 0.000 0.193 561 E C 0.650 177.246 176.600 -0.006 0.000 0.985 561 E CA 1.018 57.412 56.400 -0.010 0.000 0.814 561 E CB 0.194 29.902 29.700 0.013 0.000 0.752 561 E HN 0.346 nan 8.360 nan 0.000 0.466 562 D N 0.027 120.417 120.400 -0.017 0.000 2.395 562 D HA 0.050 4.689 4.640 -0.001 0.000 0.213 562 D C -0.647 175.588 176.300 -0.108 0.000 1.110 562 D CA -0.020 53.964 54.000 -0.026 0.000 0.835 562 D CB 0.102 40.925 40.800 0.038 0.000 0.965 562 D HN 0.070 nan 8.370 nan 0.000 0.505 563 N N 0.651 119.286 118.700 -0.108 0.000 2.667 563 N HA -0.195 4.545 4.740 -0.001 0.000 0.263 563 N C -0.294 175.146 175.510 -0.117 0.000 1.038 563 N CA 0.631 53.597 53.050 -0.141 0.000 0.749 563 N CB -1.409 36.855 38.487 -0.372 0.000 0.892 563 N HN 0.406 nan 8.380 nan 0.000 0.546 564 C N -3.399 115.912 119.300 0.017 0.000 3.285 564 C HA 0.784 5.244 4.460 -0.001 0.000 0.320 564 C C 1.291 176.457 174.990 0.293 0.000 1.411 564 C CA -0.658 58.440 59.018 0.133 0.000 1.429 564 C CB 1.560 29.397 27.740 0.161 0.000 1.812 564 C HN 0.491 nan 8.230 nan 0.000 0.454 565 C N 0.269 119.764 119.300 0.324 0.000 3.294 565 C HA 0.496 4.955 4.460 -0.001 0.000 0.441 565 C C 0.653 175.726 174.990 0.139 0.000 1.364 565 C CA 0.603 59.803 59.018 0.304 0.000 2.059 565 C CB -0.358 27.486 27.740 0.173 0.000 2.925 565 C HN 0.982 nan 8.230 nan 0.000 0.633 566 V N 1.380 121.268 119.914 -0.044 0.000 2.914 566 V HA 0.714 4.833 4.120 -0.001 0.000 0.314 566 V C -0.741 175.011 176.094 -0.569 0.000 1.084 566 V CA -0.630 61.419 62.300 -0.419 0.000 0.963 566 V CB 1.517 33.219 31.823 -0.200 0.000 1.025 566 V HN 0.407 nan 8.190 nan 0.000 0.432 567 N N 0.997 119.213 118.700 -0.807 0.000 2.431 567 N HA 0.244 4.983 4.740 -0.001 0.000 0.289 567 N C 1.065 176.442 175.510 -0.222 0.000 1.277 567 N CA 0.252 53.042 53.050 -0.434 0.000 0.972 567 N CB -0.081 38.176 38.487 -0.384 0.000 1.143 567 N HN 0.934 nan 8.380 nan 0.000 0.578 568 T N -4.683 109.791 114.554 -0.134 0.000 3.113 568 T HA -0.009 4.340 4.350 -0.001 0.000 0.263 568 T C 0.157 174.785 174.700 -0.121 0.000 1.143 568 T CA 0.670 62.691 62.100 -0.131 0.000 1.090 568 T CB -0.403 68.412 68.868 -0.087 0.000 0.922 568 T HN 0.447 nan 8.240 nan 0.000 0.521 569 D N 1.082 121.398 120.400 -0.140 0.000 2.328 569 D HA 0.169 4.808 4.640 -0.001 0.000 0.221 569 D C 0.581 176.883 176.300 0.002 0.000 1.072 569 D CA 0.151 54.081 54.000 -0.116 0.000 0.850 569 D CB 0.076 40.670 40.800 -0.343 0.000 0.922 569 D HN 0.343 nan 8.370 nan 0.000 0.516 570 S N 0.208 115.879 115.700 -0.047 0.000 3.476 570 S HA -0.253 4.216 4.470 -0.001 0.000 0.309 570 S C 0.531 175.114 174.600 -0.028 0.000 1.222 570 S CA 0.433 58.642 58.200 0.015 0.000 0.922 570 S CB -1.348 61.939 63.200 0.145 0.000 1.023 570 S HN 0.467 nan 8.310 nan 0.000 0.591 571 R N 1.212 121.566 120.500 -0.243 0.000 2.297 571 R HA 0.467 4.806 4.340 -0.001 0.000 0.308 571 R C -0.065 175.920 176.300 -0.525 0.000 1.029 571 R CA -0.425 55.338 56.100 -0.561 0.000 0.929 571 R CB 0.691 30.617 30.300 -0.624 0.000 1.046 571 R HN 0.131 nan 8.270 nan 0.000 0.461 572 V N 6.390 126.029 119.914 -0.460 0.000 2.493 572 V HA -0.012 4.107 4.120 -0.001 0.000 0.292 572 V C 0.160 176.183 176.094 -0.117 0.000 1.016 572 V CA 0.263 62.383 62.300 -0.300 0.000 1.097 572 V CB -0.273 31.352 31.823 -0.329 0.000 0.947 572 V HN 0.570 nan 8.190 nan 0.000 0.479 573 F N 4.114 124.094 119.950 0.051 0.000 2.623 573 F HA 0.369 4.896 4.527 -0.001 0.000 0.383 573 F C 1.571 177.498 175.800 0.212 0.000 1.077 573 F CA 1.572 59.630 58.000 0.097 0.000 1.268 573 F CB -0.144 38.908 39.000 0.087 0.000 1.053 573 F HN 0.791 nan 8.300 nan 0.000 0.571 574 G N 2.181 111.165 108.800 0.307 0.000 2.258 574 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.233 574 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.233 574 G C -0.140 174.722 174.900 -0.064 0.000 1.006 574 G CA -0.537 44.639 45.100 0.126 0.000 0.620 574 G HN 0.435 nan 8.290 nan 0.000 0.511 575 F N 1.374 121.347 119.950 0.038 0.000 2.444 575 F HA 0.612 5.138 4.527 -0.001 0.000 0.342 575 F C 1.377 177.164 175.800 -0.021 0.000 1.121 575 F CA -1.020 56.989 58.000 0.015 0.000 0.997 575 F CB 1.710 40.719 39.000 0.014 0.000 1.130 575 F HN -0.245 nan 8.300 nan 0.000 0.454 576 K N 1.747 122.245 120.400 0.162 0.000 2.147 576 K HA -0.108 4.211 4.320 -0.001 0.000 0.205 576 K C 0.835 177.635 176.600 0.333 0.000 1.049 576 K CA 1.140 57.559 56.287 0.220 0.000 0.936 576 K CB -0.078 32.561 32.500 0.233 0.000 0.722 576 K HN 0.667 nan 8.250 nan 0.000 0.446 577 N N -0.185 118.681 118.700 0.277 0.000 2.305 577 N HA 0.037 4.776 4.740 -0.001 0.000 0.248 577 N C -0.707 174.931 175.510 0.213 0.000 1.290 577 N CA -0.335 52.934 53.050 0.365 0.000 0.873 577 N CB -0.065 38.690 38.487 0.446 0.000 1.261 577 N HN -0.054 nan 8.380 nan 0.000 0.504 578 L N 0.628 121.760 121.223 -0.152 0.000 2.376 578 L HA 0.699 5.039 4.340 -0.001 0.000 0.275 578 L C -1.856 174.646 176.870 -0.613 0.000 0.987 578 L CA -0.593 54.127 54.840 -0.200 0.000 0.828 578 L CB 0.971 42.901 42.059 -0.216 0.000 1.249 578 L HN -0.042 nan 8.230 nan 0.000 0.409 579 F N 4.994 124.869 119.950 -0.125 0.000 2.551 579 F HA 0.666 5.192 4.527 -0.001 0.000 0.316 579 F C -0.586 175.067 175.800 -0.245 0.000 1.089 579 F CA -0.692 57.215 58.000 -0.154 0.000 0.915 579 F CB 1.836 40.783 39.000 -0.088 0.000 1.186 579 F HN 0.193 nan 8.300 nan 0.000 0.456 580 L N 2.103 123.284 121.223 -0.071 0.000 2.346 580 L HA 0.884 5.224 4.340 -0.001 0.000 0.276 580 L C 0.100 176.978 176.870 0.012 0.000 1.006 580 L CA -0.792 53.938 54.840 -0.183 0.000 0.817 580 L CB 1.840 43.641 42.059 -0.430 0.000 1.272 580 L HN 0.784 nan 8.230 nan 0.000 0.421 581 G N 0.426 109.240 108.800 0.024 0.000 2.481 581 G HA2 0.799 4.759 3.960 -0.001 0.000 0.315 581 G HA3 0.799 4.759 3.960 -0.001 0.000 0.315 581 G C -0.489 174.527 174.900 0.193 0.000 1.231 581 G CA -0.337 44.881 45.100 0.198 0.000 0.968 581 G HN 0.963 nan 8.290 nan 0.000 0.482 582 G N -1.302 107.606 108.800 0.180 0.000 2.354 582 G HA2 0.056 4.015 3.960 -0.001 0.000 0.582 582 G HA3 0.056 4.015 3.960 -0.001 0.000 0.582 582 G C 0.766 175.721 174.900 0.090 0.000 1.316 582 G CA 0.011 45.194 45.100 0.138 0.000 0.995 582 G HN 1.165 nan 8.290 nan 0.000 0.573 583 C N 0.615 119.946 119.300 0.051 0.000 2.410 583 C HA 0.147 4.606 4.460 -0.001 0.000 0.281 583 C C 3.116 178.088 174.990 -0.030 0.000 1.318 583 C CA 1.915 60.945 59.018 0.020 0.000 1.776 583 C CB -1.413 26.372 27.740 0.075 0.000 1.942 583 C HN 1.352 nan 8.230 nan 0.000 0.508 584 G N 1.310 110.007 108.800 -0.173 0.000 2.507 584 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.221 584 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.221 584 G C 1.419 175.964 174.900 -0.592 0.000 1.119 584 G CA 1.091 45.805 45.100 -0.643 0.000 0.751 584 G HN 0.567 nan 8.290 nan 0.000 0.574 585 N N 0.331 118.885 118.700 -0.243 0.000 2.331 585 N HA 0.018 4.757 4.740 -0.001 0.000 0.180 585 N C 0.965 176.486 175.510 0.017 0.000 1.019 585 N CA 0.161 53.211 53.050 -0.000 0.000 0.881 585 N CB -0.035 38.507 38.487 0.093 0.000 0.972 585 N HN 0.320 nan 8.380 nan 0.000 0.435 586 I N 3.119 123.701 120.570 0.020 0.000 2.505 586 I HA 0.022 4.191 4.170 -0.001 0.000 0.287 586 I C -1.335 174.875 176.117 0.155 0.000 1.104 586 I CA -0.902 60.443 61.300 0.075 0.000 1.387 586 I CB 1.109 39.105 38.000 -0.007 0.000 1.404 586 I HN -0.052 nan 8.210 nan 0.000 0.528 587 P HA 0.060 nan 4.420 nan 0.000 0.267 587 P C 0.217 177.607 177.300 0.151 0.000 1.289 587 P CA 0.188 63.361 63.100 0.122 0.000 0.866 587 P CB 0.213 31.943 31.700 0.050 0.000 1.309 588 T N -2.349 112.335 114.554 0.216 0.000 2.912 588 T HA 0.686 5.035 4.350 -0.001 0.000 0.280 588 T C 0.189 175.024 174.700 0.224 0.000 0.989 588 T CA -0.883 61.331 62.100 0.190 0.000 0.995 588 T CB 1.322 70.283 68.868 0.156 0.000 1.077 588 T HN 0.063 nan 8.240 nan 0.000 0.531 589 A N 1.985 124.864 122.820 0.100 0.000 2.350 589 A HA 0.581 4.900 4.320 -0.001 0.000 0.293 589 A C -0.586 176.952 177.584 -0.075 0.000 1.231 589 A CA -0.789 51.249 52.037 0.001 0.000 0.883 589 A CB -1.002 18.022 19.000 0.041 0.000 1.133 589 A HN 0.886 nan 8.150 nan 0.000 0.533 590 Y N -0.170 120.032 120.300 -0.163 0.000 2.477 590 Y HA 0.692 5.241 4.550 -0.001 0.000 0.347 590 Y C 0.740 176.516 175.900 -0.208 0.000 0.981 590 Y CA -0.674 57.142 58.100 -0.474 0.000 1.033 590 Y CB 1.382 39.345 38.460 -0.830 0.000 1.245 590 Y HN 0.384 nan 8.280 nan 0.000 0.455 591 G N 1.086 109.818 108.800 -0.113 0.000 2.608 591 G HA2 0.339 4.299 3.960 -0.001 0.000 0.210 591 G HA3 0.339 4.299 3.960 -0.001 0.000 0.210 591 G C 0.540 175.517 174.900 0.129 0.000 1.139 591 G CA 0.184 45.398 45.100 0.189 0.000 0.812 591 G HN 0.961 nan 8.290 nan 0.000 0.529 592 A N 0.706 123.446 122.820 -0.132 0.000 2.406 592 A HA 0.424 4.743 4.320 -0.001 0.000 0.243 592 A C -0.041 177.497 177.584 -0.078 0.000 1.082 592 A CA -0.391 51.450 52.037 -0.326 0.000 0.786 592 A CB 0.003 18.847 19.000 -0.260 0.000 1.029 592 A HN 0.395 nan 8.150 nan 0.000 0.495 593 N N 2.031 120.565 118.700 -0.276 0.000 2.468 593 N HA 0.262 5.001 4.740 -0.001 0.000 0.265 593 N C -2.001 173.588 175.510 0.132 0.000 1.199 593 N CA -0.922 52.096 53.050 -0.052 0.000 0.928 593 N CB 0.534 38.952 38.487 -0.114 0.000 1.059 593 N HN 0.416 nan 8.380 nan 0.000 0.467 594 P HA -0.026 nan 4.420 nan 0.000 0.240 594 P C 0.529 177.796 177.300 -0.055 0.000 1.190 594 P CA 0.730 63.832 63.100 0.003 0.000 0.781 594 P CB 0.267 31.931 31.700 -0.060 0.000 0.931 595 T N 0.960 115.562 114.554 0.080 0.000 2.720 595 T HA -0.153 4.196 4.350 -0.001 0.000 0.268 595 T C 1.755 176.569 174.700 0.190 0.000 1.037 595 T CA 1.083 63.261 62.100 0.129 0.000 1.144 595 T CB -0.826 68.139 68.868 0.162 0.000 0.864 595 T HN 0.036 nan 8.240 nan 0.000 0.444 596 L N 0.991 122.346 121.223 0.221 0.000 2.083 596 L HA -0.070 4.270 4.340 -0.001 0.000 0.209 596 L C 2.509 179.475 176.870 0.159 0.000 1.083 596 L CA 1.696 56.706 54.840 0.283 0.000 0.752 596 L CB -1.017 41.195 42.059 0.255 0.000 0.899 596 L HN 0.184 nan 8.230 nan 0.000 0.433 597 T N -0.327 114.195 114.554 -0.052 0.000 2.708 597 T HA -0.153 4.197 4.350 -0.001 0.000 0.266 597 T C 1.908 176.529 174.700 -0.131 0.000 1.037 597 T CA 1.309 63.269 62.100 -0.235 0.000 1.146 597 T CB -0.517 67.759 68.868 -0.986 0.000 0.865 597 T HN 0.514 nan 8.240 nan 0.000 0.435 598 A N 1.390 124.144 122.820 -0.109 0.000 1.933 598 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 598 A C 2.312 179.872 177.584 -0.040 0.000 1.175 598 A CA 1.781 53.791 52.037 -0.046 0.000 0.628 598 A CB -0.729 18.265 19.000 -0.009 0.000 0.814 598 A HN 0.523 nan 8.150 nan 0.000 0.444 599 M N -0.285 119.297 119.600 -0.030 0.000 2.086 599 M HA -0.153 4.326 4.480 -0.001 0.000 0.261 599 M C 2.181 178.394 176.300 -0.145 0.000 1.067 599 M CA 2.138 57.388 55.300 -0.083 0.000 1.116 599 M CB -0.169 32.377 32.600 -0.089 0.000 1.348 599 M HN 0.375 nan 8.290 nan 0.000 0.407 600 S N 1.111 116.727 115.700 -0.140 0.000 2.370 600 S HA -0.160 4.310 4.470 -0.001 0.000 0.226 600 S C 1.747 176.161 174.600 -0.309 0.000 1.033 600 S CA 1.536 59.587 58.200 -0.248 0.000 1.011 600 S CB -0.596 62.411 63.200 -0.320 0.000 0.852 600 S HN 0.516 nan 8.310 nan 0.000 0.457 601 L N 0.961 122.041 121.223 -0.238 0.000 2.083 601 L HA -0.127 4.212 4.340 -0.001 0.000 0.209 601 L C 2.772 179.516 176.870 -0.209 0.000 1.083 601 L CA 1.133 55.839 54.840 -0.224 0.000 0.752 601 L CB -0.697 41.299 42.059 -0.105 0.000 0.899 601 L HN 0.329 nan 8.230 nan 0.000 0.433 602 A N 0.370 123.061 122.820 -0.216 0.000 1.902 602 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 602 A C 2.211 179.481 177.584 -0.525 0.000 1.181 602 A CA 1.407 53.201 52.037 -0.405 0.000 0.623 602 A CB -0.599 18.173 19.000 -0.380 0.000 0.818 602 A HN 0.341 nan 8.150 nan 0.000 0.443 603 I N -0.477 119.877 120.570 -0.360 0.000 2.179 603 I HA -0.281 3.889 4.170 -0.001 0.000 0.242 603 I C 2.542 178.497 176.117 -0.271 0.000 1.088 603 I CA 1.905 63.024 61.300 -0.301 0.000 1.357 603 I CB -0.253 37.586 38.000 -0.268 0.000 1.051 603 I HN 0.374 nan 8.210 nan 0.000 0.409 604 K N 0.535 120.773 120.400 -0.270 0.000 2.063 604 K HA -0.228 4.092 4.320 -0.001 0.000 0.208 604 K C 2.367 178.880 176.600 -0.145 0.000 1.048 604 K CA 1.849 58.006 56.287 -0.216 0.000 0.928 604 K CB -0.131 32.208 32.500 -0.269 0.000 0.713 604 K HN 0.132 nan 8.250 nan 0.000 0.442 605 S N -0.006 115.591 115.700 -0.173 0.000 2.370 605 S HA -0.172 4.297 4.470 -0.001 0.000 0.226 605 S C 2.060 176.561 174.600 -0.166 0.000 1.033 605 S CA 1.486 59.624 58.200 -0.103 0.000 1.011 605 S CB -0.466 62.703 63.200 -0.051 0.000 0.852 605 S HN 0.571 nan 8.310 nan 0.000 0.457 606 C N 1.399 120.510 119.300 -0.314 0.000 2.422 606 C HA 0.015 4.474 4.460 -0.001 0.000 0.279 606 C C 2.508 177.414 174.990 -0.139 0.000 1.305 606 C CA 0.669 59.518 59.018 -0.282 0.000 1.757 606 C CB -1.439 26.092 27.740 -0.348 0.000 1.962 606 C HN 0.678 nan 8.230 nan 0.000 0.499 607 E N -0.706 119.435 120.200 -0.098 0.000 2.110 607 E HA -0.237 4.112 4.350 -0.001 0.000 0.193 607 E C 1.820 178.432 176.600 0.019 0.000 0.988 607 E CA 1.390 57.765 56.400 -0.041 0.000 0.804 607 E CB -0.267 29.403 29.700 -0.050 0.000 0.745 607 E HN 0.834 nan 8.360 nan 0.000 0.458 608 Y N 1.154 121.421 120.300 -0.055 0.000 2.163 608 Y HA -0.192 4.357 4.550 -0.001 0.000 0.288 608 Y C 1.954 177.885 175.900 0.050 0.000 1.136 608 Y CA 1.444 59.554 58.100 0.017 0.000 1.147 608 Y CB -0.098 38.408 38.460 0.077 0.000 0.987 608 Y HN -0.066 nan 8.280 nan 0.000 0.509 609 I N 0.452 121.065 120.570 0.072 0.000 2.208 609 I HA -0.347 3.822 4.170 -0.001 0.000 0.245 609 I C 2.259 178.420 176.117 0.073 0.000 1.097 609 I CA 1.732 63.057 61.300 0.042 0.000 1.363 609 I CB -0.408 37.406 38.000 -0.310 0.000 1.051 609 I HN 0.173 nan 8.210 nan 0.000 0.413 610 K N 0.316 120.727 120.400 0.018 0.000 2.209 610 K HA -0.164 4.155 4.320 -0.001 0.000 0.204 610 K C 1.839 178.482 176.600 0.070 0.000 1.048 610 K CA 1.027 57.391 56.287 0.129 0.000 0.940 610 K CB -0.078 32.476 32.500 0.089 0.000 0.729 610 K HN 0.477 nan 8.250 nan 0.000 0.451 611 Q N -0.333 119.437 119.800 -0.050 0.000 2.360 611 Q HA 0.081 4.420 4.340 -0.001 0.000 0.202 611 Q C 0.755 176.633 176.000 -0.203 0.000 0.915 611 Q CA 0.330 56.064 55.803 -0.115 0.000 0.943 611 Q CB 0.494 29.147 28.738 -0.142 0.000 1.064 611 Q HN 0.292 nan 8.270 nan 0.000 0.511 612 N N -0.842 117.713 118.700 -0.242 0.000 2.113 612 N HA 0.156 4.895 4.740 -0.001 0.000 0.223 612 N C -0.956 174.173 175.510 -0.634 0.000 1.310 612 N CA 0.233 53.000 53.050 -0.471 0.000 0.896 612 N CB 1.066 39.097 38.487 -0.760 0.000 1.097 612 N HN -0.011 nan 8.380 nan 0.000 0.507 613 F N 0.475 120.452 119.950 0.043 0.000 2.578 613 F HA 0.343 4.870 4.527 -0.001 0.000 0.311 613 F C 0.004 175.942 175.800 0.231 0.000 1.094 613 F CA -0.643 57.443 58.000 0.144 0.000 0.923 613 F CB 1.937 41.028 39.000 0.153 0.000 1.230 613 F HN -0.378 nan 8.300 nan 0.000 0.450 614 T N 3.759 118.498 114.554 0.309 0.000 2.767 614 T HA 0.433 4.782 4.350 -0.001 0.000 0.284 614 T C -2.604 172.134 174.700 0.063 0.000 0.973 614 T CA -1.466 60.708 62.100 0.124 0.000 0.996 614 T CB 1.213 70.112 68.868 0.053 0.000 0.927 614 T HN 0.119 nan 8.240 nan 0.000 0.456 615 P HA 0.157 nan 4.420 nan 0.000 0.268 615 P C -0.016 177.232 177.300 -0.087 0.000 1.205 615 P CA -0.473 62.410 63.100 -0.361 0.000 0.771 615 P CB 0.289 31.583 31.700 -0.677 0.000 0.858 616 S N 3.124 118.826 115.700 0.003 0.000 2.573 616 S HA 0.265 4.735 4.470 -0.001 0.000 0.277 616 S C -2.176 172.439 174.600 0.026 0.000 1.346 616 S CA -0.957 57.258 58.200 0.026 0.000 1.034 616 S CB -0.925 62.300 63.200 0.040 0.000 0.879 616 S HN 0.267 nan 8.310 nan 0.000 0.528 617 P HA 0.197 nan 4.420 nan 0.000 0.266 617 P C -0.838 176.522 177.300 0.101 0.000 1.195 617 P CA -0.260 62.873 63.100 0.056 0.000 0.768 617 P CB 0.106 31.826 31.700 0.034 0.000 0.838 618 F N 3.335 123.272 119.950 -0.021 0.000 2.410 618 F HA 0.479 5.005 4.527 -0.001 0.000 0.349 618 F C -0.213 175.582 175.800 -0.010 0.000 1.117 618 F CA 0.357 58.350 58.000 -0.012 0.000 1.104 618 F CB 0.658 39.652 39.000 -0.011 0.000 1.122 618 F HN 0.224 nan 8.300 nan 0.000 0.483 619 T N 0.000 114.296 114.554 -0.429 0.000 3.816 619 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 619 T CA 0.000 61.938 62.100 -0.271 0.000 1.349 619 T CB 0.000 68.783 68.868 -0.141 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658