REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ign_1_D DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.232 176.300 -0.113 0.000 1.140 43 M CA 0.000 55.239 55.300 -0.102 0.000 0.988 43 M CB 0.000 32.399 32.600 -0.336 0.000 1.302 44 D N 4.363 124.742 120.400 -0.036 0.000 2.419 44 D HA 0.258 4.899 4.640 0.001 0.000 0.236 44 D C 0.857 177.124 176.300 -0.056 0.000 1.165 44 D CA 0.441 54.377 54.000 -0.106 0.000 0.882 44 D CB 0.832 41.451 40.800 -0.302 0.000 1.201 44 D HN 0.690 nan 8.370 nan 0.000 0.443 45 I N -1.883 118.637 120.570 -0.083 0.000 3.966 45 I HA 0.316 4.487 4.170 0.001 0.000 0.324 45 I C -0.031 176.099 176.117 0.021 0.000 1.517 45 I CA -0.574 60.747 61.300 0.035 0.000 1.117 45 I CB 0.389 38.397 38.000 0.013 0.000 1.190 45 I HN -0.069 nan 8.210 nan 0.000 0.466 46 K N 1.400 121.659 120.400 -0.235 0.000 2.426 46 K HA 0.623 4.944 4.320 0.001 0.000 0.254 46 K C -1.896 174.335 176.600 -0.615 0.000 0.936 46 K CA -0.306 55.839 56.287 -0.236 0.000 0.801 46 K CB 1.258 33.668 32.500 -0.150 0.000 1.139 46 K HN 0.169 nan 8.250 nan 0.000 0.424 47 Y N 1.011 121.301 120.300 -0.016 0.000 2.638 47 Y HA 0.264 4.815 4.550 0.001 0.000 0.339 47 Y C 0.525 176.398 175.900 -0.045 0.000 1.084 47 Y CA -0.835 57.248 58.100 -0.030 0.000 1.068 47 Y CB 1.856 40.300 38.460 -0.027 0.000 1.294 47 Y HN 0.594 nan 8.280 nan 0.000 0.480 48 D N 0.047 120.529 120.400 0.137 0.000 2.137 48 D HA 0.054 4.695 4.640 0.001 0.000 0.202 48 D C -0.303 175.990 176.300 -0.010 0.000 0.970 48 D CA 1.411 55.471 54.000 0.101 0.000 0.837 48 D CB 0.323 41.252 40.800 0.216 0.000 0.981 48 D HN 0.114 nan 8.370 nan 0.000 0.475 49 V N 1.199 121.104 119.914 -0.015 0.000 2.638 49 V HA 0.391 4.512 4.120 0.001 0.000 0.306 49 V C -0.297 175.709 176.094 -0.146 0.000 1.052 49 V CA -1.078 61.122 62.300 -0.167 0.000 0.885 49 V CB 2.437 34.137 31.823 -0.204 0.000 0.999 49 V HN -0.018 nan 8.190 nan 0.000 0.424 50 V N 2.889 122.669 119.914 -0.223 0.000 2.495 50 V HA 0.753 4.874 4.120 0.001 0.000 0.298 50 V C -0.639 175.403 176.094 -0.087 0.000 1.031 50 V CA -0.584 61.648 62.300 -0.113 0.000 0.871 50 V CB 1.626 33.436 31.823 -0.022 0.000 0.988 50 V HN 0.691 nan 8.190 nan 0.000 0.432 51 I N 4.403 124.951 120.570 -0.036 0.000 2.436 51 I HA 0.495 4.666 4.170 0.001 0.000 0.289 51 I C -0.560 175.584 176.117 0.044 0.000 1.010 51 I CA -0.947 60.313 61.300 -0.066 0.000 1.098 51 I CB 2.235 40.179 38.000 -0.093 0.000 1.266 51 I HN 0.434 nan 8.210 nan 0.000 0.434 52 V N 5.436 125.356 119.914 0.010 0.000 2.348 52 V HA 0.790 4.911 4.120 0.001 0.000 0.270 52 V C 0.483 176.581 176.094 0.007 0.000 1.037 52 V CA -0.298 62.028 62.300 0.043 0.000 0.872 52 V CB 0.528 32.347 31.823 -0.006 0.000 1.002 52 V HN 1.069 nan 8.190 nan 0.000 0.464 53 G N 3.945 112.764 108.800 0.033 0.000 3.069 53 G HA2 -0.018 3.943 3.960 0.001 0.000 0.686 53 G HA3 -0.018 3.943 3.960 0.001 0.000 0.686 53 G C -0.050 174.864 174.900 0.023 0.000 1.161 53 G CA -0.248 44.864 45.100 0.019 0.000 0.804 53 G HN 1.307 nan 8.290 nan 0.000 0.608 54 S N 1.102 116.819 115.700 0.029 0.000 2.588 54 S HA 0.609 5.079 4.470 0.001 0.000 0.245 54 S C 1.294 175.909 174.600 0.025 0.000 1.021 54 S CA 0.718 58.942 58.200 0.040 0.000 1.006 54 S CB 0.624 63.858 63.200 0.056 0.000 0.830 54 S HN 1.910 nan 8.310 nan 0.000 0.468 55 G N 2.632 111.438 108.800 0.010 0.000 2.570 55 G HA2 0.404 4.365 3.960 0.001 0.000 0.276 55 G HA3 0.404 4.365 3.960 0.001 0.000 0.276 55 G C -1.237 173.650 174.900 -0.023 0.000 1.346 55 G CA -1.296 43.797 45.100 -0.012 0.000 1.034 55 G HN 0.247 nan 8.290 nan 0.000 0.512 56 P HA -0.046 nan 4.420 nan 0.000 0.221 56 P C 1.704 178.958 177.300 -0.076 0.000 1.150 56 P CA 0.695 63.756 63.100 -0.065 0.000 0.800 56 P CB 0.192 31.873 31.700 -0.032 0.000 0.787 57 I N 0.215 120.773 120.570 -0.021 0.000 2.277 57 I HA -0.027 4.143 4.170 0.001 0.000 0.243 57 I C 2.720 178.896 176.117 0.097 0.000 1.094 57 I CA 1.498 62.816 61.300 0.030 0.000 1.393 57 I CB -2.345 35.699 38.000 0.074 0.000 1.078 57 I HN -0.006 nan 8.210 nan 0.000 0.417 58 G N 0.425 109.260 108.800 0.058 0.000 2.469 58 G HA2 -0.262 3.699 3.960 0.001 0.000 0.219 58 G HA3 -0.262 3.699 3.960 0.001 0.000 0.219 58 G C 1.758 176.650 174.900 -0.013 0.000 1.150 58 G CA 1.163 46.283 45.100 0.032 0.000 0.763 58 G HN 0.420 nan 8.290 nan 0.000 0.561 59 C N 0.473 119.741 119.300 -0.052 0.000 2.446 59 C HA 0.062 4.523 4.460 0.001 0.000 0.279 59 C C 3.178 178.032 174.990 -0.226 0.000 1.366 59 C CA 1.286 60.224 59.018 -0.133 0.000 1.763 59 C CB -0.916 26.801 27.740 -0.037 0.000 1.929 59 C HN 0.457 nan 8.230 nan 0.000 0.509 60 T N 0.166 114.618 114.554 -0.169 0.000 2.708 60 T HA -0.165 4.186 4.350 0.001 0.000 0.266 60 T C 1.466 176.015 174.700 -0.253 0.000 1.037 60 T CA 1.652 63.626 62.100 -0.211 0.000 1.146 60 T CB -0.445 68.319 68.868 -0.174 0.000 0.865 60 T HN 0.554 nan 8.240 nan 0.000 0.435 61 Y N 1.592 121.751 120.300 -0.234 0.000 2.128 61 Y HA -0.104 4.446 4.550 0.001 0.000 0.284 61 Y C 2.797 178.471 175.900 -0.376 0.000 1.154 61 Y CA 1.009 58.948 58.100 -0.268 0.000 1.149 61 Y CB -0.744 37.574 38.460 -0.236 0.000 0.976 61 Y HN 0.198 nan 8.280 nan 0.000 0.505 62 A N 0.256 122.869 122.820 -0.345 0.000 1.865 62 A HA -0.259 4.061 4.320 0.001 0.000 0.217 62 A C 2.310 179.317 177.584 -0.961 0.000 1.191 62 A CA 1.974 53.546 52.037 -0.776 0.000 0.623 62 A CB -0.832 17.386 19.000 -1.304 0.000 0.826 62 A HN 0.422 nan 8.150 nan 0.000 0.444 63 R N -0.433 119.554 120.500 -0.855 0.000 2.094 63 R HA -0.181 4.159 4.340 0.001 0.000 0.239 63 R C 2.108 178.204 176.300 -0.341 0.000 1.137 63 R CA 1.885 57.660 56.100 -0.543 0.000 0.943 63 R CB -0.331 29.668 30.300 -0.501 0.000 0.850 63 R HN 0.619 nan 8.270 nan 0.000 0.433 64 E N 0.377 120.404 120.200 -0.289 0.000 2.051 64 E HA -0.191 4.160 4.350 0.001 0.000 0.192 64 E C 2.136 178.662 176.600 -0.123 0.000 0.991 64 E CA 1.339 57.643 56.400 -0.159 0.000 0.799 64 E CB -0.120 29.483 29.700 -0.162 0.000 0.748 64 E HN 0.423 nan 8.360 nan 0.000 0.449 65 L N 0.325 121.444 121.223 -0.174 0.000 2.249 65 L HA -0.038 4.303 4.340 0.001 0.000 0.207 65 L C 2.472 179.363 176.870 0.035 0.000 1.090 65 L CA 0.154 54.931 54.840 -0.105 0.000 0.802 65 L CB -0.088 41.803 42.059 -0.280 0.000 0.947 65 L HN -0.056 nan 8.230 nan 0.000 0.453 66 V N 0.404 120.257 119.914 -0.102 0.000 2.427 66 V HA -0.147 3.974 4.120 0.001 0.000 0.248 66 V C 2.544 178.656 176.094 0.030 0.000 1.051 66 V CA 1.965 64.247 62.300 -0.029 0.000 1.048 66 V CB -0.948 30.795 31.823 -0.133 0.000 0.666 66 V HN 0.548 nan 8.190 nan 0.000 0.456 67 G N -0.581 108.217 108.800 -0.002 0.000 2.448 67 G HA2 -0.050 3.911 3.960 0.001 0.000 0.218 67 G HA3 -0.050 3.911 3.960 0.001 0.000 0.218 67 G C 1.492 176.420 174.900 0.047 0.000 1.135 67 G CA 0.745 45.860 45.100 0.024 0.000 0.784 67 G HN 0.598 nan 8.290 nan 0.000 0.543 68 A N -0.344 122.528 122.820 0.086 0.000 2.238 68 A HA 0.474 4.795 4.320 0.001 0.000 0.208 68 A C 1.953 179.568 177.584 0.051 0.000 1.177 68 A CA 1.252 53.361 52.037 0.121 0.000 0.804 68 A CB -0.385 18.773 19.000 0.264 0.000 0.823 68 A HN 1.501 nan 8.150 nan 0.000 0.482 69 G N -2.252 106.578 108.800 0.049 0.000 2.141 69 G HA2 -0.270 3.691 3.960 0.001 0.000 0.242 69 G HA3 -0.270 3.691 3.960 0.001 0.000 0.242 69 G C -0.061 174.777 174.900 -0.104 0.000 0.982 69 G CA 0.153 45.233 45.100 -0.033 0.000 0.662 69 G HN 0.405 nan 8.290 nan 0.000 0.527 70 Y N 0.368 120.654 120.300 -0.023 0.000 2.397 70 Y HA 0.418 4.969 4.550 0.001 0.000 0.335 70 Y C 1.119 176.998 175.900 -0.035 0.000 1.213 70 Y CA 0.006 58.090 58.100 -0.027 0.000 1.391 70 Y CB 0.716 39.156 38.460 -0.035 0.000 1.293 70 Y HN 0.102 nan 8.280 nan 0.000 0.557 71 K N 2.792 123.256 120.400 0.108 0.000 2.292 71 K HA 0.414 4.735 4.320 0.001 0.000 0.290 71 K C -1.537 175.161 176.600 0.164 0.000 1.083 71 K CA -0.148 56.179 56.287 0.068 0.000 0.918 71 K CB 0.051 32.556 32.500 0.008 0.000 1.089 71 K HN 0.502 nan 8.250 nan 0.000 0.473 72 V N 3.280 123.279 119.914 0.140 0.000 2.513 72 V HA 0.578 4.699 4.120 0.001 0.000 0.299 72 V C -0.288 175.734 176.094 -0.120 0.000 1.035 72 V CA -0.883 61.462 62.300 0.075 0.000 0.889 72 V CB 1.471 33.377 31.823 0.139 0.000 0.988 72 V HN 0.890 nan 8.190 nan 0.000 0.440 73 A N 5.727 128.326 122.820 -0.370 0.000 2.337 73 A HA 0.932 5.253 4.320 0.001 0.000 0.329 73 A C -0.658 176.614 177.584 -0.519 0.000 1.146 73 A CA -0.617 50.968 52.037 -0.754 0.000 0.800 73 A CB 1.497 19.697 19.000 -1.332 0.000 1.220 73 A HN 0.894 nan 8.150 nan 0.000 0.472 74 M N 2.413 121.602 119.600 -0.685 0.000 2.326 74 M HA 0.713 5.193 4.480 0.001 0.000 0.306 74 M C -2.185 173.785 176.300 -0.550 0.000 1.054 74 M CA -0.391 54.699 55.300 -0.351 0.000 0.922 74 M CB 1.137 33.714 32.600 -0.038 0.000 1.632 74 M HN 0.608 nan 8.290 nan 0.000 0.436 75 F N 2.385 122.320 119.950 -0.026 0.000 2.495 75 F HA 0.558 5.086 4.527 0.001 0.000 0.327 75 F C -0.140 175.650 175.800 -0.016 0.000 1.103 75 F CA -0.526 57.477 58.000 0.005 0.000 0.949 75 F CB 1.491 40.475 39.000 -0.026 0.000 1.142 75 F HN 0.444 nan 8.300 nan 0.000 0.457 76 D N 2.878 123.362 120.400 0.139 0.000 2.879 76 D HA 0.236 4.876 4.640 0.001 0.000 0.236 76 D C 0.515 176.835 176.300 0.034 0.000 1.171 76 D CA -0.331 53.704 54.000 0.059 0.000 0.868 76 D CB 2.501 43.319 40.800 0.030 0.000 1.598 76 D HN 0.648 nan 8.370 nan 0.000 0.497 77 I N 1.971 122.516 120.570 -0.042 0.000 2.614 77 I HA 0.018 4.189 4.170 0.001 0.000 0.258 77 I C 1.150 177.228 176.117 -0.066 0.000 1.189 77 I CA 0.743 61.979 61.300 -0.107 0.000 1.462 77 I CB 0.163 37.984 38.000 -0.299 0.000 1.092 77 I HN 0.327 nan 8.210 nan 0.000 0.442 78 G N 0.039 108.815 108.800 -0.041 0.000 2.543 78 G HA2 0.375 4.335 3.960 0.001 0.000 0.290 78 G HA3 0.375 4.335 3.960 0.001 0.000 0.290 78 G C -0.787 174.126 174.900 0.021 0.000 1.310 78 G CA -0.407 44.692 45.100 -0.001 0.000 1.025 78 G HN 0.321 nan 8.290 nan 0.000 0.502 79 E N -1.482 118.736 120.200 0.030 0.000 2.339 79 E HA 0.383 4.734 4.350 0.001 0.000 0.262 79 E C -0.585 176.033 176.600 0.031 0.000 0.934 79 E CA -0.784 55.635 56.400 0.032 0.000 0.802 79 E CB 2.496 32.218 29.700 0.037 0.000 1.275 79 E HN 0.268 nan 8.360 nan 0.000 0.427 80 I N 2.451 123.038 120.570 0.028 0.000 2.452 80 I HA 0.044 4.215 4.170 0.001 0.000 0.287 80 I C -0.369 175.771 176.117 0.038 0.000 1.079 80 I CA 0.464 61.782 61.300 0.031 0.000 1.387 80 I CB 0.135 38.148 38.000 0.022 0.000 1.404 80 I HN 0.515 nan 8.210 nan 0.000 0.522 81 D N 2.572 123.000 120.400 0.047 0.000 3.404 81 D HA 0.043 4.684 4.640 0.001 0.000 0.329 81 D C -0.233 176.115 176.300 0.079 0.000 1.421 81 D CA -0.379 53.656 54.000 0.059 0.000 0.742 81 D CB -0.103 40.730 40.800 0.055 0.000 1.290 81 D HN 0.200 nan 8.370 nan 0.000 0.600 82 S N -0.030 115.720 115.700 0.083 0.000 2.651 82 S HA 0.638 5.108 4.470 0.001 0.000 0.246 82 S C 1.015 175.680 174.600 0.109 0.000 1.039 82 S CA -0.065 58.202 58.200 0.112 0.000 1.013 82 S CB 0.701 63.970 63.200 0.116 0.000 0.861 82 S HN 0.887 nan 8.310 nan 0.000 0.485 83 G N 1.749 110.601 108.800 0.088 0.000 2.542 83 G HA2 -0.249 3.712 3.960 0.001 0.000 0.235 83 G HA3 -0.249 3.712 3.960 0.001 0.000 0.235 83 G C 0.400 175.333 174.900 0.055 0.000 1.286 83 G CA -0.156 44.989 45.100 0.074 0.000 0.904 83 G HN 0.323 nan 8.290 nan 0.000 0.577 84 L N 0.347 121.598 121.223 0.047 0.000 2.201 84 L HA 0.082 4.423 4.340 0.001 0.000 0.212 84 L C 1.526 178.410 176.870 0.023 0.000 1.105 84 L CA 1.191 56.048 54.840 0.028 0.000 0.775 84 L CB -0.353 41.718 42.059 0.021 0.000 0.913 84 L HN 0.325 nan 8.230 nan 0.000 0.440 85 K N 1.674 122.098 120.400 0.040 0.000 2.250 85 K HA 0.322 4.643 4.320 0.001 0.000 0.285 85 K C -0.331 176.293 176.600 0.041 0.000 1.097 85 K CA -0.205 56.103 56.287 0.035 0.000 0.913 85 K CB 0.717 33.252 32.500 0.058 0.000 1.179 85 K HN 0.089 nan 8.250 nan 0.000 0.462 86 I N 1.905 122.484 120.570 0.015 0.000 2.618 86 I HA -0.052 4.119 4.170 0.001 0.000 0.284 86 I C 1.371 177.508 176.117 0.035 0.000 1.146 86 I CA 0.693 62.006 61.300 0.022 0.000 1.425 86 I CB 0.439 38.442 38.000 0.006 0.000 1.383 86 I HN 0.944 nan 8.210 nan 0.000 0.562 87 G N 4.278 113.108 108.800 0.051 0.000 2.153 87 G HA2 -0.214 3.747 3.960 0.001 0.000 0.252 87 G HA3 -0.214 3.747 3.960 0.001 0.000 0.252 87 G C 0.314 175.267 174.900 0.088 0.000 0.994 87 G CA 0.132 45.268 45.100 0.060 0.000 0.698 87 G HN 0.971 nan 8.290 nan 0.000 0.521 88 A N -0.521 122.366 122.820 0.111 0.000 2.257 88 A HA 0.639 4.960 4.320 0.001 0.000 0.289 88 A C 0.537 178.246 177.584 0.208 0.000 1.095 88 A CA -0.360 51.779 52.037 0.171 0.000 0.836 88 A CB 0.321 19.422 19.000 0.169 0.000 1.111 88 A HN 0.591 nan 8.150 nan 0.000 0.497 89 H N 0.521 119.729 119.070 0.230 0.000 2.899 89 H HA 0.108 4.664 4.556 0.001 0.000 0.303 89 H C 0.679 176.136 175.328 0.215 0.000 1.042 89 H CA 0.664 56.862 56.048 0.249 0.000 1.479 89 H CB 0.790 30.720 29.762 0.280 0.000 1.493 89 H HN 0.654 nan 8.280 nan 0.000 0.534 90 K N 3.526 124.122 120.400 0.327 0.000 2.439 90 K HA -0.098 4.223 4.320 0.001 0.000 0.197 90 K C 1.557 178.425 176.600 0.447 0.000 1.041 90 K CA 0.566 57.100 56.287 0.412 0.000 0.970 90 K CB 0.384 33.117 32.500 0.389 0.000 0.773 90 K HN 0.402 nan 8.250 nan 0.000 0.479 91 K N 0.845 121.390 120.400 0.241 0.000 2.487 91 K HA 0.025 4.346 4.320 0.001 0.000 0.192 91 K C 0.654 177.286 176.600 0.054 0.000 1.027 91 K CA 0.283 56.402 56.287 -0.279 0.000 1.054 91 K CB 0.293 32.182 32.500 -1.018 0.000 0.824 91 K HN -0.009 nan 8.250 nan 0.000 0.510 92 N N 1.278 120.111 118.700 0.222 0.000 2.370 92 N HA -0.040 4.701 4.740 0.001 0.000 0.198 92 N C -0.310 175.427 175.510 0.378 0.000 1.156 92 N CA 0.358 53.553 53.050 0.240 0.000 0.839 92 N CB 0.437 39.114 38.487 0.318 0.000 0.989 92 N HN 0.285 nan 8.380 nan 0.000 0.468 93 T N -3.126 111.638 114.554 0.350 0.000 2.904 93 T HA 0.218 4.569 4.350 0.001 0.000 0.290 93 T C 1.724 176.614 174.700 0.318 0.000 1.018 93 T CA -0.678 61.612 62.100 0.318 0.000 1.075 93 T CB 1.469 70.490 68.868 0.256 0.000 0.986 93 T HN -0.200 nan 8.240 nan 0.000 0.523 94 V N 1.699 121.784 119.914 0.285 0.000 2.392 94 V HA -0.122 3.999 4.120 0.001 0.000 0.249 94 V C 2.911 179.086 176.094 0.136 0.000 1.059 94 V CA 1.790 64.243 62.300 0.255 0.000 1.051 94 V CB -0.838 31.079 31.823 0.156 0.000 0.658 94 V HN 0.881 nan 8.190 nan 0.000 0.455 95 E N -0.477 119.748 120.200 0.041 0.000 2.085 95 E HA -0.211 4.140 4.350 0.001 0.000 0.194 95 E C 2.135 178.695 176.600 -0.068 0.000 0.994 95 E CA 1.648 58.002 56.400 -0.076 0.000 0.801 95 E CB -0.277 29.284 29.700 -0.232 0.000 0.743 95 E HN 0.739 nan 8.360 nan 0.000 0.453 96 Y N 1.120 121.493 120.300 0.122 0.000 2.395 96 Y HA -0.046 4.504 4.550 0.001 0.000 0.293 96 Y C 2.445 178.371 175.900 0.043 0.000 1.123 96 Y CA 0.637 58.801 58.100 0.107 0.000 1.227 96 Y CB -0.126 38.415 38.460 0.135 0.000 1.012 96 Y HN 0.022 nan 8.280 nan 0.000 0.552 97 Q N 0.362 120.258 119.800 0.159 0.000 2.167 97 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 97 Q C 1.773 177.829 176.000 0.093 0.000 0.970 97 Q CA 1.210 57.050 55.803 0.061 0.000 0.855 97 Q CB -0.134 28.589 28.738 -0.026 0.000 0.911 97 Q HN 0.491 nan 8.270 nan 0.000 0.438 98 K N 0.301 120.764 120.400 0.105 0.000 2.243 98 K HA 0.042 4.363 4.320 0.001 0.000 0.201 98 K C 0.321 176.973 176.600 0.087 0.000 1.051 98 K CA 0.429 56.766 56.287 0.084 0.000 0.970 98 K CB 0.441 32.980 32.500 0.065 0.000 0.755 98 K HN 0.118 nan 8.250 nan 0.000 0.465 99 N N 1.287 120.058 118.700 0.118 0.000 2.765 99 N HA 0.045 4.786 4.740 0.001 0.000 0.277 99 N C 0.282 175.927 175.510 0.225 0.000 1.750 99 N CA -0.001 53.134 53.050 0.142 0.000 0.827 99 N CB 1.103 39.659 38.487 0.114 0.000 1.200 99 N HN 0.031 nan 8.380 nan 0.000 0.494 100 I N 0.642 121.324 120.570 0.187 0.000 2.264 100 I HA -0.238 3.933 4.170 0.001 0.000 0.248 100 I C 0.779 177.028 176.117 0.220 0.000 1.111 100 I CA 1.713 63.124 61.300 0.185 0.000 1.382 100 I CB 0.249 38.308 38.000 0.098 0.000 1.060 100 I HN 0.132 nan 8.210 nan 0.000 0.418 101 D N 1.013 121.541 120.400 0.214 0.000 2.263 101 D HA -0.158 4.483 4.640 0.001 0.000 0.208 101 D C 1.987 178.398 176.300 0.184 0.000 0.971 101 D CA 0.643 54.768 54.000 0.209 0.000 0.867 101 D CB -0.119 40.838 40.800 0.261 0.000 0.929 101 D HN 0.328 nan 8.370 nan 0.000 0.492 102 K N 0.102 120.649 120.400 0.244 0.000 2.280 102 K HA -0.099 4.222 4.320 0.001 0.000 0.202 102 K C 1.767 178.516 176.600 0.248 0.000 1.047 102 K CA 0.048 56.493 56.287 0.265 0.000 0.942 102 K CB -0.410 32.294 32.500 0.340 0.000 0.739 102 K HN 0.214 nan 8.250 nan 0.000 0.457 103 F N 1.806 121.766 119.950 0.018 0.000 2.333 103 F HA -0.195 4.333 4.527 0.001 0.000 0.300 103 F C 1.933 177.631 175.800 -0.170 0.000 1.083 103 F CA 0.747 58.574 58.000 -0.288 0.000 1.395 103 F CB -0.203 38.575 39.000 -0.370 0.000 1.056 103 F HN -0.166 nan 8.300 nan 0.000 0.529 104 V N -1.496 118.356 119.914 -0.103 0.000 2.453 104 V HA -0.326 3.794 4.120 0.001 0.000 0.252 104 V C 1.814 177.765 176.094 -0.239 0.000 1.068 104 V CA 2.421 64.617 62.300 -0.174 0.000 1.070 104 V CB -1.422 30.311 31.823 -0.150 0.000 0.664 104 V HN 0.352 nan 8.190 nan 0.000 0.461 105 N N 0.838 119.419 118.700 -0.198 0.000 2.188 105 N HA -0.083 4.658 4.740 0.001 0.000 0.184 105 N C 1.668 177.027 175.510 -0.251 0.000 1.018 105 N CA 1.539 54.490 53.050 -0.165 0.000 0.858 105 N CB -0.423 38.029 38.487 -0.057 0.000 0.989 105 N HN 0.438 nan 8.380 nan 0.000 0.426 106 V N 1.190 120.817 119.914 -0.479 0.000 2.295 106 V HA -0.204 3.917 4.120 0.001 0.000 0.246 106 V C 2.033 177.838 176.094 -0.481 0.000 1.049 106 V CA 1.418 63.373 62.300 -0.575 0.000 1.024 106 V CB -0.520 30.604 31.823 -1.166 0.000 0.648 106 V HN 0.296 nan 8.190 nan 0.000 0.447 107 I N -0.384 119.849 120.570 -0.562 0.000 2.127 107 I HA -0.260 3.910 4.170 0.001 0.000 0.241 107 I C 2.770 178.783 176.117 -0.173 0.000 1.075 107 I CA 1.397 62.523 61.300 -0.289 0.000 1.334 107 I CB -0.483 37.389 38.000 -0.212 0.000 1.040 107 I HN 0.297 nan 8.210 nan 0.000 0.405 108 Q N 0.573 120.269 119.800 -0.173 0.000 2.124 108 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 108 Q C 2.351 178.298 176.000 -0.088 0.000 0.977 108 Q CA 1.800 57.533 55.803 -0.116 0.000 0.850 108 Q CB -0.890 27.778 28.738 -0.117 0.000 0.901 108 Q HN 0.629 nan 8.270 nan 0.000 0.429 109 G N 1.192 109.932 108.800 -0.100 0.000 2.432 109 G HA2 -0.264 3.697 3.960 0.001 0.000 0.219 109 G HA3 -0.264 3.697 3.960 0.001 0.000 0.219 109 G C 1.302 176.176 174.900 -0.043 0.000 1.135 109 G CA 0.791 45.852 45.100 -0.064 0.000 0.767 109 G HN 0.471 nan 8.290 nan 0.000 0.550 110 Q N -0.543 119.224 119.800 -0.055 0.000 2.339 110 Q HA 0.288 4.628 4.340 0.001 0.000 0.205 110 Q C 0.710 176.711 176.000 0.002 0.000 0.925 110 Q CA -0.074 55.717 55.803 -0.020 0.000 0.898 110 Q CB 0.141 28.866 28.738 -0.022 0.000 1.013 110 Q HN 0.312 nan 8.270 nan 0.000 0.504 111 L N 2.383 123.599 121.223 -0.011 0.000 2.319 111 L HA 0.244 4.585 4.340 0.001 0.000 0.280 111 L C -0.352 176.529 176.870 0.018 0.000 1.099 111 L CA -0.203 54.642 54.840 0.008 0.000 0.828 111 L CB 0.660 42.714 42.059 -0.008 0.000 1.150 111 L HN 0.145 nan 8.230 nan 0.000 0.442 112 M N 2.471 122.098 119.600 0.044 0.000 2.181 112 M HA 0.276 4.757 4.480 0.001 0.000 0.323 112 M C -0.105 176.227 176.300 0.054 0.000 1.004 112 M CA -0.521 54.811 55.300 0.054 0.000 0.941 112 M CB 1.391 34.046 32.600 0.091 0.000 1.579 112 M HN 0.377 nan 8.290 nan 0.000 0.427 113 S N 1.840 117.561 115.700 0.035 0.000 2.558 113 S HA 0.124 4.594 4.470 0.001 0.000 0.293 113 S C 1.692 176.321 174.600 0.049 0.000 1.292 113 S CA -0.478 57.742 58.200 0.033 0.000 1.063 113 S CB 0.772 63.980 63.200 0.014 0.000 0.831 113 S HN 0.530 nan 8.310 nan 0.000 0.499 114 V N 2.494 122.448 119.914 0.068 0.000 2.307 114 V HA -0.020 4.101 4.120 0.001 0.000 0.245 114 V C 1.224 177.317 176.094 -0.000 0.000 1.045 114 V CA 1.538 63.868 62.300 0.051 0.000 1.024 114 V CB -0.098 31.796 31.823 0.118 0.000 0.651 114 V HN 0.805 nan 8.190 nan 0.000 0.449 115 S N -0.750 114.972 115.700 0.038 0.000 2.720 115 S HA 0.535 5.006 4.470 0.001 0.000 0.278 115 S C -1.175 173.428 174.600 0.005 0.000 1.172 115 S CA -0.483 57.704 58.200 -0.021 0.000 1.019 115 S CB 1.576 64.736 63.200 -0.067 0.000 1.049 115 S HN 0.002 nan 8.310 nan 0.000 0.483 116 V N 7.728 127.631 119.914 -0.019 0.000 2.357 116 V HA 0.551 4.672 4.120 0.001 0.000 0.284 116 V C -1.963 174.112 176.094 -0.032 0.000 1.018 116 V CA -1.804 60.484 62.300 -0.021 0.000 0.841 116 V CB 1.464 33.274 31.823 -0.022 0.000 0.991 116 V HN 0.719 nan 8.190 nan 0.000 0.437 117 P HA 0.146 nan 4.420 nan 0.000 0.272 117 P C -0.114 177.159 177.300 -0.045 0.000 1.240 117 P CA -0.095 62.984 63.100 -0.036 0.000 0.791 117 P CB 0.837 32.517 31.700 -0.033 0.000 0.978 118 V N 2.140 122.030 119.914 -0.040 0.000 2.694 118 V HA -0.043 4.078 4.120 0.001 0.000 0.306 118 V C 1.256 177.293 176.094 -0.094 0.000 1.054 118 V CA 0.260 62.530 62.300 -0.049 0.000 1.161 118 V CB -0.676 31.140 31.823 -0.012 0.000 0.916 118 V HN 0.630 nan 8.190 nan 0.000 0.490 119 N N 3.457 122.092 118.700 -0.108 0.000 2.472 119 N HA 0.134 4.875 4.740 0.001 0.000 0.277 119 N C 0.510 175.837 175.510 -0.305 0.000 1.081 119 N CA 0.272 53.230 53.050 -0.153 0.000 0.973 119 N CB 1.650 40.078 38.487 -0.098 0.000 1.105 119 N HN 0.858 nan 8.380 nan 0.000 0.470 120 T N 0.926 115.179 114.554 -0.503 0.000 3.252 120 T HA 0.287 4.638 4.350 0.001 0.000 0.286 120 T C 0.676 174.891 174.700 -0.809 0.000 1.013 120 T CA -0.452 60.921 62.100 -1.212 0.000 0.914 120 T CB -0.528 67.774 68.868 -0.943 0.000 1.131 120 T HN 0.271 nan 8.240 nan 0.000 0.529 121 L N 1.799 122.826 121.223 -0.326 0.000 2.380 121 L HA 0.482 4.822 4.340 0.001 0.000 0.273 121 L C -0.035 176.883 176.870 0.081 0.000 1.138 121 L CA -0.972 53.805 54.840 -0.104 0.000 0.832 121 L CB 1.112 43.139 42.059 -0.054 0.000 1.124 121 L HN 0.045 nan 8.230 nan 0.000 0.454 122 V N 4.366 124.349 119.914 0.116 0.000 2.383 122 V HA 0.214 4.335 4.120 0.001 0.000 0.275 122 V C 0.158 176.318 176.094 0.110 0.000 1.036 122 V CA -0.516 61.901 62.300 0.196 0.000 0.889 122 V CB 1.668 33.595 31.823 0.173 0.000 0.985 122 V HN 0.424 nan 8.190 nan 0.000 0.459 123 V N 5.287 125.266 119.914 0.109 0.000 2.311 123 V HA 0.355 4.476 4.120 0.001 0.000 0.275 123 V C 0.224 176.348 176.094 0.051 0.000 1.022 123 V CA -0.404 61.937 62.300 0.068 0.000 0.830 123 V CB 1.358 33.222 31.823 0.069 0.000 1.012 123 V HN 1.058 nan 8.190 nan 0.000 0.452 124 D N 2.206 122.628 120.400 0.037 0.000 2.538 124 D HA 0.006 4.647 4.640 0.001 0.000 0.231 124 D C 1.076 177.386 176.300 0.015 0.000 1.229 124 D CA 0.239 54.252 54.000 0.021 0.000 0.828 124 D CB 0.478 41.290 40.800 0.020 0.000 1.035 124 D HN 0.553 nan 8.370 nan 0.000 0.495 125 T N -1.742 112.824 114.554 0.020 0.000 3.228 125 T HA 0.341 4.692 4.350 0.001 0.000 0.278 125 T C 0.677 175.389 174.700 0.020 0.000 1.014 125 T CA -0.546 61.564 62.100 0.017 0.000 0.904 125 T CB -0.294 68.584 68.868 0.017 0.000 1.110 125 T HN 0.013 nan 8.240 nan 0.000 0.541 126 L N 1.978 123.214 121.223 0.022 0.000 2.467 126 L HA 0.344 4.685 4.340 0.001 0.000 0.270 126 L C 1.148 178.029 176.870 0.019 0.000 1.205 126 L CA -0.575 54.282 54.840 0.027 0.000 0.828 126 L CB 0.500 42.579 42.059 0.033 0.000 1.101 126 L HN 0.270 nan 8.230 nan 0.000 0.479 127 S N 1.672 117.386 115.700 0.023 0.000 2.568 127 S HA 0.123 4.594 4.470 0.001 0.000 0.282 127 S C -1.495 173.113 174.600 0.012 0.000 1.338 127 S CA -1.026 57.184 58.200 0.018 0.000 1.045 127 S CB 0.852 64.066 63.200 0.023 0.000 0.873 127 S HN 0.398 nan 8.310 nan 0.000 0.516 128 P HA -0.073 nan 4.420 nan 0.000 0.221 128 P C 1.383 178.684 177.300 0.001 0.000 1.145 128 P CA 1.349 64.446 63.100 -0.005 0.000 0.795 128 P CB -0.240 31.456 31.700 -0.007 0.000 0.775 129 T N -5.321 109.242 114.554 0.016 0.000 3.023 129 T HA 0.055 4.406 4.350 0.001 0.000 0.266 129 T C 1.063 175.795 174.700 0.053 0.000 1.093 129 T CA 0.213 62.330 62.100 0.029 0.000 1.129 129 T CB -0.677 68.209 68.868 0.030 0.000 0.899 129 T HN -0.090 nan 8.240 nan 0.000 0.491 130 S N 1.320 117.054 115.700 0.058 0.000 2.564 130 S HA 0.281 4.752 4.470 0.001 0.000 0.278 130 S C -0.515 174.168 174.600 0.137 0.000 1.333 130 S CA -0.984 57.279 58.200 0.105 0.000 1.048 130 S CB 0.137 63.393 63.200 0.094 0.000 0.900 130 S HN 0.589 nan 8.310 nan 0.000 0.505 131 W N 2.951 124.259 121.300 0.013 0.000 2.223 131 W HA 0.224 4.885 4.660 0.001 0.000 0.334 131 W C 0.225 176.758 176.519 0.024 0.000 1.334 131 W CA 0.501 57.853 57.345 0.012 0.000 1.246 131 W CB 0.369 29.836 29.460 0.011 0.000 1.184 131 W HN 0.407 nan 8.180 nan 0.000 0.563 132 Q N 3.060 122.484 119.800 -0.626 0.000 2.534 132 Q HA 0.560 4.901 4.340 0.001 0.000 0.290 132 Q C -1.058 174.383 176.000 -0.932 0.000 0.991 132 Q CA -0.822 54.668 55.803 -0.521 0.000 0.783 132 Q CB 1.862 30.486 28.738 -0.189 0.000 1.470 132 Q HN 0.567 nan 8.270 nan 0.000 0.406 133 A N 0.439 123.012 122.820 -0.411 0.000 2.316 133 A HA 0.516 4.837 4.320 0.001 0.000 0.284 133 A C 0.485 177.898 177.584 -0.285 0.000 1.115 133 A CA -0.035 51.834 52.037 -0.282 0.000 0.812 133 A CB 0.521 19.628 19.000 0.178 0.000 1.064 133 A HN 0.645 nan 8.150 nan 0.000 0.489 134 S N -0.274 115.278 115.700 -0.247 0.000 2.517 134 S HA 0.125 4.596 4.470 0.001 0.000 0.214 134 S C 0.798 175.286 174.600 -0.187 0.000 0.991 134 S CA 0.809 58.885 58.200 -0.207 0.000 0.906 134 S CB -0.082 63.017 63.200 -0.168 0.000 0.789 134 S HN 1.090 nan 8.310 nan 0.000 0.513 135 T N -1.402 113.076 114.554 -0.127 0.000 2.865 135 T HA 0.640 4.991 4.350 0.001 0.000 0.294 135 T C -0.969 173.676 174.700 -0.092 0.000 1.119 135 T CA -0.730 61.303 62.100 -0.112 0.000 1.007 135 T CB 0.730 69.633 68.868 0.059 0.000 1.225 135 T HN -0.095 nan 8.240 nan 0.000 0.515 136 F N 2.984 123.015 119.950 0.134 0.000 2.541 136 F HA 0.402 4.930 4.527 0.001 0.000 0.351 136 F C 0.353 176.200 175.800 0.079 0.000 1.209 136 F CA -1.882 56.158 58.000 0.067 0.000 1.277 136 F CB -0.897 38.113 39.000 0.017 0.000 1.632 136 F HN 0.556 nan 8.300 nan 0.000 0.619 137 F N -0.721 119.333 119.950 0.173 0.000 2.375 137 F HA 0.596 5.123 4.527 0.001 0.000 0.313 137 F C -0.053 175.820 175.800 0.121 0.000 1.176 137 F CA -1.670 56.407 58.000 0.128 0.000 1.142 137 F CB -0.179 38.888 39.000 0.111 0.000 1.275 137 F HN -0.170 nan 8.300 nan 0.000 0.544 138 V N 2.783 122.814 119.914 0.195 0.000 2.421 138 V HA 0.262 4.383 4.120 0.001 0.000 0.271 138 V C 0.148 176.236 176.094 -0.011 0.000 1.031 138 V CA -0.015 62.321 62.300 0.058 0.000 1.032 138 V CB -0.592 31.294 31.823 0.105 0.000 1.009 138 V HN 0.710 nan 8.190 nan 0.000 0.477 139 R N 3.925 124.319 120.500 -0.178 0.000 2.744 139 R HA 0.464 4.805 4.340 0.001 0.000 0.279 139 R C 0.183 176.427 176.300 -0.093 0.000 0.977 139 R CA -0.893 55.072 56.100 -0.224 0.000 0.906 139 R CB 1.318 31.349 30.300 -0.448 0.000 1.197 139 R HN 0.702 nan 8.270 nan 0.000 0.463 140 N N 0.749 119.423 118.700 -0.045 0.000 2.725 140 N HA -0.193 4.548 4.740 0.001 0.000 0.249 140 N C 0.457 175.954 175.510 -0.023 0.000 1.103 140 N CA 1.568 54.599 53.050 -0.031 0.000 0.707 140 N CB -1.121 37.340 38.487 -0.043 0.000 1.043 140 N HN 1.083 nan 8.380 nan 0.000 0.553 141 G N -1.847 106.945 108.800 -0.013 0.000 2.159 141 G HA2 -0.312 3.648 3.960 0.001 0.000 0.256 141 G HA3 -0.312 3.648 3.960 0.001 0.000 0.256 141 G C 0.240 175.133 174.900 -0.012 0.000 0.977 141 G CA 0.809 45.905 45.100 -0.007 0.000 0.652 141 G HN 1.294 nan 8.290 nan 0.000 0.531 142 S N -0.522 115.164 115.700 -0.022 0.000 2.593 142 S HA 0.495 4.966 4.470 0.001 0.000 0.269 142 S C 0.117 174.706 174.600 -0.019 0.000 1.334 142 S CA 0.013 58.197 58.200 -0.027 0.000 1.015 142 S CB 1.815 64.991 63.200 -0.041 0.000 0.912 142 S HN 0.640 nan 8.310 nan 0.000 0.541 143 N N 2.162 120.844 118.700 -0.030 0.000 2.527 143 N HA 0.357 5.098 4.740 0.001 0.000 0.236 143 N C -1.709 173.785 175.510 -0.026 0.000 0.999 143 N CA -2.552 50.474 53.050 -0.040 0.000 0.935 143 N CB 1.133 39.569 38.487 -0.085 0.000 1.132 143 N HN 0.355 nan 8.380 nan 0.000 0.511 144 P HA -0.062 nan 4.420 nan 0.000 0.230 144 P C 0.293 177.615 177.300 0.036 0.000 1.158 144 P CA 0.864 63.981 63.100 0.027 0.000 0.769 144 P CB 0.539 32.270 31.700 0.052 0.000 0.807 145 E N -0.259 119.948 120.200 0.013 0.000 2.358 145 E HA -0.091 4.259 4.350 0.001 0.000 0.195 145 E C 0.879 177.493 176.600 0.024 0.000 1.010 145 E CA 0.548 56.978 56.400 0.050 0.000 0.856 145 E CB -0.063 29.616 29.700 -0.036 0.000 0.795 145 E HN 0.298 nan 8.360 nan 0.000 0.504 146 Q N 2.187 121.965 119.800 -0.037 0.000 2.294 146 Q HA 0.036 4.377 4.340 0.001 0.000 0.257 146 Q C -0.874 175.135 176.000 0.016 0.000 0.955 146 Q CA -0.227 55.552 55.803 -0.039 0.000 0.936 146 Q CB 0.846 29.547 28.738 -0.062 0.000 1.188 146 Q HN -0.196 nan 8.270 nan 0.000 0.420 147 D N 6.043 126.472 120.400 0.048 0.000 2.358 147 D HA 0.074 4.714 4.640 0.001 0.000 0.258 147 D C -1.684 174.632 176.300 0.026 0.000 1.223 147 D CA -1.907 52.120 54.000 0.046 0.000 0.886 147 D CB 1.290 42.130 40.800 0.067 0.000 1.120 147 D HN 0.433 nan 8.370 nan 0.000 0.482 148 P HA -0.096 nan 4.420 nan 0.000 0.222 148 P C 1.332 178.631 177.300 -0.001 0.000 1.147 148 P CA 0.692 63.788 63.100 -0.007 0.000 0.790 148 P CB 0.367 32.051 31.700 -0.026 0.000 0.780 149 L N -1.249 119.978 121.223 0.007 0.000 2.592 149 L HA 0.146 4.487 4.340 0.001 0.000 0.227 149 L C 1.580 178.462 176.870 0.020 0.000 1.127 149 L CA 0.329 55.174 54.840 0.008 0.000 0.884 149 L CB -0.188 41.873 42.059 0.004 0.000 1.065 149 L HN -0.148 nan 8.230 nan 0.000 0.457 150 R N -0.283 120.239 120.500 0.036 0.000 2.734 150 R HA 0.205 4.545 4.340 0.001 0.000 0.395 150 R C -0.389 175.964 176.300 0.089 0.000 1.096 150 R CA -0.260 55.874 56.100 0.058 0.000 1.071 150 R CB 0.316 30.654 30.300 0.064 0.000 1.348 150 R HN 0.052 nan 8.270 nan 0.000 0.600 151 N N 0.548 119.274 118.700 0.043 0.000 2.483 151 N HA 0.376 5.117 4.740 0.001 0.000 0.285 151 N C -0.765 174.636 175.510 -0.182 0.000 1.210 151 N CA -0.609 52.440 53.050 -0.001 0.000 0.931 151 N CB 1.192 39.680 38.487 0.001 0.000 1.220 151 N HN 0.071 nan 8.380 nan 0.000 0.542 152 L N 2.026 122.964 121.223 -0.475 0.000 2.417 152 L HA 0.219 4.559 4.340 0.001 0.000 0.258 152 L C 1.379 178.030 176.870 -0.364 0.000 1.088 152 L CA -0.286 54.157 54.840 -0.661 0.000 0.975 152 L CB 0.558 41.836 42.059 -1.301 0.000 1.341 152 L HN 0.654 nan 8.230 nan 0.000 0.431 153 S N -0.139 115.454 115.700 -0.179 0.000 2.419 153 S HA -0.116 4.355 4.470 0.001 0.000 0.233 153 S C 1.774 176.324 174.600 -0.083 0.000 1.016 153 S CA 1.004 59.150 58.200 -0.089 0.000 0.974 153 S CB -0.166 63.001 63.200 -0.056 0.000 0.786 153 S HN 0.645 nan 8.310 nan 0.000 0.492 154 G N 0.495 109.229 108.800 -0.110 0.000 2.712 154 G HA2 0.083 4.044 3.960 0.001 0.000 0.212 154 G HA3 0.083 4.044 3.960 0.001 0.000 0.212 154 G C 0.568 175.421 174.900 -0.080 0.000 1.142 154 G CA -0.295 44.755 45.100 -0.084 0.000 0.789 154 G HN 0.376 nan 8.290 nan 0.000 0.535 155 Q N 0.631 120.358 119.800 -0.122 0.000 2.286 155 Q HA 0.462 4.803 4.340 0.001 0.000 0.290 155 Q C -0.077 175.938 176.000 0.025 0.000 1.049 155 Q CA 0.359 56.126 55.803 -0.061 0.000 0.923 155 Q CB 1.292 29.974 28.738 -0.094 0.000 1.183 155 Q HN 0.299 nan 8.270 nan 0.000 0.383 156 A N 2.043 124.884 122.820 0.035 0.000 2.594 156 A HA 0.744 5.065 4.320 0.001 0.000 0.291 156 A C -0.981 176.637 177.584 0.056 0.000 1.105 156 A CA -0.579 51.485 52.037 0.044 0.000 0.694 156 A CB 1.413 20.427 19.000 0.024 0.000 1.291 156 A HN 0.467 nan 8.150 nan 0.000 0.410 157 V N -2.024 117.934 119.914 0.073 0.000 3.001 157 V HA 0.942 5.063 4.120 0.001 0.000 0.314 157 V C -0.399 175.756 176.094 0.102 0.000 1.099 157 V CA -0.533 61.829 62.300 0.102 0.000 0.989 157 V CB 1.575 33.495 31.823 0.162 0.000 1.040 157 V HN 0.881 nan 8.190 nan 0.000 0.434 158 T N 2.693 117.305 114.554 0.097 0.000 2.807 158 T HA 0.611 4.962 4.350 0.001 0.000 0.279 158 T C -0.373 174.361 174.700 0.058 0.000 0.993 158 T CA -0.507 61.632 62.100 0.066 0.000 0.970 158 T CB 1.253 70.149 68.868 0.047 0.000 0.950 158 T HN 0.769 nan 8.240 nan 0.000 0.441 159 R N 2.431 122.953 120.500 0.037 0.000 2.363 159 R HA 0.615 4.956 4.340 0.001 0.000 0.297 159 R C -0.897 175.410 176.300 0.011 0.000 1.208 159 R CA -0.596 55.501 56.100 -0.004 0.000 1.121 159 R CB 0.933 31.201 30.300 -0.055 0.000 1.124 159 R HN 0.523 nan 8.270 nan 0.000 0.561 160 V N -1.706 118.215 119.914 0.012 0.000 3.147 160 V HA 0.428 4.549 4.120 0.001 0.000 0.299 160 V C -0.185 175.920 176.094 0.019 0.000 1.302 160 V CA -1.155 61.157 62.300 0.020 0.000 1.015 160 V CB 1.916 33.754 31.823 0.025 0.000 1.086 160 V HN 0.139 nan 8.190 nan 0.000 0.437 161 V N 3.199 123.128 119.914 0.025 0.000 2.529 161 V HA 0.523 4.644 4.120 0.001 0.000 0.292 161 V C 1.694 177.806 176.094 0.031 0.000 1.028 161 V CA 1.917 64.234 62.300 0.029 0.000 1.074 161 V CB 0.106 31.948 31.823 0.031 0.000 0.958 161 V HN 2.123 nan 8.190 nan 0.000 0.481 162 G N 3.377 112.194 108.800 0.029 0.000 2.194 162 G HA2 -0.017 3.944 3.960 0.001 0.000 0.236 162 G HA3 -0.017 3.944 3.960 0.001 0.000 0.236 162 G C 0.981 175.877 174.900 -0.007 0.000 0.987 162 G CA 0.263 45.375 45.100 0.020 0.000 0.635 162 G HN 2.057 nan 8.290 nan 0.000 0.520 163 G N 0.183 108.984 108.800 0.002 0.000 2.594 163 G HA2 -0.299 3.662 3.960 0.001 0.000 0.297 163 G HA3 -0.299 3.662 3.960 0.001 0.000 0.297 163 G C 1.228 176.120 174.900 -0.012 0.000 1.273 163 G CA 1.391 46.490 45.100 -0.001 0.000 0.974 163 G HN 1.097 nan 8.290 nan 0.000 0.552 164 M N 1.528 121.118 119.600 -0.018 0.000 2.460 164 M HA -0.019 4.462 4.480 0.001 0.000 0.263 164 M C 2.733 179.004 176.300 -0.048 0.000 1.071 164 M CA 1.805 57.105 55.300 0.000 0.000 1.096 164 M CB -0.231 32.394 32.600 0.042 0.000 1.408 164 M HN 0.714 nan 8.290 nan 0.000 0.463 165 S N -0.534 115.040 115.700 -0.211 0.000 2.603 165 S HA -0.069 4.402 4.470 0.001 0.000 0.229 165 S C 1.682 176.233 174.600 -0.081 0.000 0.972 165 S CA 1.163 59.107 58.200 -0.428 0.000 0.935 165 S CB -0.981 61.925 63.200 -0.490 0.000 0.769 165 S HN 0.583 nan 8.310 nan 0.000 0.536 166 T N -2.422 112.086 114.554 -0.077 0.000 3.085 166 T HA 0.449 4.800 4.350 0.001 0.000 0.263 166 T C 1.293 175.825 174.700 -0.279 0.000 1.127 166 T CA 0.550 62.574 62.100 -0.127 0.000 1.103 166 T CB -0.064 68.798 68.868 -0.009 0.000 0.921 166 T HN 0.581 nan 8.240 nan 0.000 0.510 167 A N 0.009 122.775 122.820 -0.089 0.000 2.606 167 A HA 0.418 4.739 4.320 0.001 0.000 0.230 167 A C 0.664 178.479 177.584 0.385 0.000 1.279 167 A CA -0.679 51.475 52.037 0.195 0.000 1.010 167 A CB -0.127 18.953 19.000 0.133 0.000 1.271 167 A HN 0.637 nan 8.150 nan 0.000 0.584 168 W N 0.257 121.601 121.300 0.073 0.000 2.034 168 W HA 0.380 5.040 4.660 0.001 0.000 0.357 168 W C -0.046 176.565 176.519 0.153 0.000 1.326 168 W CA 0.803 58.231 57.345 0.138 0.000 1.318 168 W CB -0.750 28.770 29.460 0.100 0.000 1.193 168 W HN -0.043 nan 8.180 nan 0.000 0.620 169 T N 0.897 115.385 114.554 -0.110 0.000 3.100 169 T HA 0.027 4.378 4.350 0.001 0.000 0.253 169 T C 0.999 175.255 174.700 -0.740 0.000 1.118 169 T CA 0.967 62.835 62.100 -0.386 0.000 1.058 169 T CB -0.520 68.291 68.868 -0.096 0.000 0.953 169 T HN 0.665 nan 8.240 nan 0.000 0.515 170 C N 1.005 119.470 119.300 -1.391 0.000 4.617 170 C HA -0.117 4.344 4.460 0.001 0.000 0.260 170 C C 1.147 175.649 174.990 -0.814 0.000 1.288 170 C CA -0.733 57.246 59.018 -1.732 0.000 1.668 170 C CB -2.629 24.633 27.740 -0.796 0.000 1.518 170 C HN 0.765 nan 8.230 nan 0.000 0.708 171 A N 1.191 123.723 122.820 -0.482 0.000 2.444 171 A HA 0.540 4.861 4.320 0.001 0.000 0.273 171 A C 0.794 178.291 177.584 -0.145 0.000 1.136 171 A CA 1.190 53.107 52.037 -0.200 0.000 0.799 171 A CB 0.139 19.092 19.000 -0.078 0.000 1.081 171 A HN 1.399 nan 8.150 nan 0.000 0.509 172 T N 1.566 116.055 114.554 -0.108 0.000 3.504 172 T HA 0.502 4.852 4.350 0.001 0.000 0.286 172 T C -2.739 171.915 174.700 -0.078 0.000 1.530 172 T CA -1.480 60.590 62.100 -0.050 0.000 1.652 172 T CB 0.579 69.450 68.868 0.005 0.000 0.895 172 T HN 0.444 nan 8.240 nan 0.000 0.674 173 P HA 0.360 nan 4.420 nan 0.000 0.277 173 P C -0.134 177.025 177.300 -0.234 0.000 1.240 173 P CA -0.583 62.416 63.100 -0.170 0.000 0.798 173 P CB 1.100 32.660 31.700 -0.234 0.000 0.979 174 R N 1.109 121.387 120.500 -0.369 0.000 2.582 174 R HA 0.346 4.687 4.340 0.001 0.000 0.271 174 R C 0.133 176.329 176.300 -0.174 0.000 1.078 174 R CA -0.367 55.334 56.100 -0.665 0.000 1.127 174 R CB 0.110 29.860 30.300 -0.916 0.000 1.038 174 R HN 0.374 nan 8.270 nan 0.000 0.500 175 F N 1.994 121.719 119.950 -0.376 0.000 2.412 175 F HA 0.035 4.563 4.527 0.001 0.000 0.348 175 F C 1.002 176.630 175.800 -0.287 0.000 1.102 175 F CA -1.470 56.339 58.000 -0.318 0.000 1.196 175 F CB 0.201 39.003 39.000 -0.330 0.000 1.144 175 F HN 0.539 nan 8.300 nan 0.000 0.541 176 D N 2.586 122.926 120.400 -0.099 0.000 2.377 176 D HA 0.102 4.743 4.640 0.001 0.000 0.245 176 D C 1.049 177.277 176.300 -0.120 0.000 1.196 176 D CA -0.413 53.528 54.000 -0.098 0.000 0.962 176 D CB 0.555 41.311 40.800 -0.073 0.000 1.127 176 D HN 0.486 nan 8.370 nan 0.000 0.471 177 R N -0.131 120.320 120.500 -0.082 0.000 2.103 177 R HA -0.193 4.148 4.340 0.001 0.000 0.242 177 R C 2.016 178.267 176.300 -0.083 0.000 1.142 177 R CA 1.617 57.671 56.100 -0.077 0.000 0.960 177 R CB -0.298 29.989 30.300 -0.022 0.000 0.858 177 R HN 0.649 nan 8.270 nan 0.000 0.439 178 E N 0.619 120.771 120.200 -0.080 0.000 2.171 178 E HA -0.230 4.120 4.350 0.001 0.000 0.197 178 E C 1.628 178.136 176.600 -0.152 0.000 0.997 178 E CA 1.280 57.639 56.400 -0.068 0.000 0.810 178 E CB 0.148 29.852 29.700 0.008 0.000 0.738 178 E HN 0.459 nan 8.360 nan 0.000 0.467 179 Q N -0.691 118.930 119.800 -0.298 0.000 2.356 179 Q HA 0.111 4.452 4.340 0.001 0.000 0.205 179 Q C 0.472 176.385 176.000 -0.145 0.000 0.901 179 Q CA -0.101 55.458 55.803 -0.408 0.000 0.938 179 Q CB 0.688 28.872 28.738 -0.923 0.000 1.081 179 Q HN -0.066 nan 8.270 nan 0.000 0.517 180 R N 2.108 122.558 120.500 -0.084 0.000 2.460 180 R HA 0.301 4.642 4.340 0.001 0.000 0.303 180 R C -2.524 173.740 176.300 -0.059 0.000 0.968 180 R CA -2.083 53.956 56.100 -0.101 0.000 0.889 180 R CB 1.008 31.067 30.300 -0.401 0.000 1.123 180 R HN -0.115 nan 8.270 nan 0.000 0.455 181 P HA 0.072 nan 4.420 nan 0.000 0.274 181 P C -0.695 176.755 177.300 0.250 0.000 1.231 181 P CA -0.154 63.019 63.100 0.121 0.000 0.790 181 P CB 0.775 32.560 31.700 0.140 0.000 0.951 182 L N 2.447 123.782 121.223 0.186 0.000 2.349 182 L HA 0.208 4.549 4.340 0.001 0.000 0.275 182 L C 1.715 178.728 176.870 0.238 0.000 1.115 182 L CA -0.324 54.697 54.840 0.302 0.000 0.820 182 L CB 0.441 42.722 42.059 0.370 0.000 1.135 182 L HN 0.345 nan 8.230 nan 0.000 0.445 183 L N 3.208 124.624 121.223 0.320 0.000 2.575 183 L HA 0.218 4.559 4.340 0.001 0.000 0.228 183 L C -0.259 176.797 176.870 0.310 0.000 1.075 183 L CA 0.218 55.137 54.840 0.133 0.000 0.867 183 L CB 0.721 42.654 42.059 -0.210 0.000 1.097 183 L HN 0.313 nan 8.230 nan 0.000 0.485 184 V N 1.096 121.204 119.914 0.323 0.000 2.525 184 V HA 0.215 4.336 4.120 0.001 0.000 0.299 184 V C -0.489 175.706 176.094 0.169 0.000 1.034 184 V CA -1.003 61.416 62.300 0.198 0.000 0.863 184 V CB 1.759 33.645 31.823 0.104 0.000 0.999 184 V HN 0.195 nan 8.190 nan 0.000 0.423 185 K N 2.655 123.031 120.400 -0.039 0.000 2.144 185 K HA 0.489 4.810 4.320 0.001 0.000 0.270 185 K C -0.211 176.361 176.600 -0.047 0.000 1.005 185 K CA -0.568 55.660 56.287 -0.099 0.000 0.932 185 K CB 0.614 32.866 32.500 -0.413 0.000 1.021 185 K HN 0.596 nan 8.250 nan 0.000 0.462 186 D N 0.971 121.368 120.400 -0.005 0.000 2.701 186 D HA -0.180 4.461 4.640 0.001 0.000 0.235 186 D C -0.799 175.509 176.300 0.013 0.000 1.155 186 D CA 1.392 55.393 54.000 0.002 0.000 0.649 186 D CB -0.761 40.026 40.800 -0.021 0.000 1.050 186 D HN 0.775 nan 8.370 nan 0.000 0.425 187 D N -1.399 119.021 120.400 0.034 0.000 2.634 187 D HA 0.365 5.006 4.640 0.001 0.000 0.236 187 D C 0.912 177.249 176.300 0.063 0.000 1.323 187 D CA 0.167 54.191 54.000 0.039 0.000 0.884 187 D CB 0.401 41.218 40.800 0.028 0.000 1.496 187 D HN 0.002 nan 8.370 nan 0.000 0.525 188 A N 2.192 125.050 122.820 0.064 0.000 1.940 188 A HA -0.183 4.138 4.320 0.001 0.000 0.219 188 A C 1.615 179.248 177.584 0.082 0.000 1.176 188 A CA 1.516 53.600 52.037 0.079 0.000 0.631 188 A CB -0.010 19.027 19.000 0.062 0.000 0.814 188 A HN 0.458 nan 8.150 nan 0.000 0.446 189 D N -0.221 120.217 120.400 0.063 0.000 2.194 189 D HA 0.060 4.701 4.640 0.001 0.000 0.204 189 D C 2.207 178.546 176.300 0.065 0.000 0.964 189 D CA 1.264 55.300 54.000 0.060 0.000 0.846 189 D CB -0.360 40.467 40.800 0.044 0.000 0.962 189 D HN 0.436 nan 8.370 nan 0.000 0.490 190 A N 0.988 123.843 122.820 0.059 0.000 1.898 190 A HA -0.196 4.125 4.320 0.001 0.000 0.216 190 A C 1.975 179.602 177.584 0.072 0.000 1.181 190 A CA 1.901 53.968 52.037 0.050 0.000 0.620 190 A CB -0.584 18.439 19.000 0.038 0.000 0.819 190 A HN 0.152 nan 8.150 nan 0.000 0.442 191 D N -0.159 120.307 120.400 0.112 0.000 2.097 191 D HA -0.166 4.475 4.640 0.001 0.000 0.195 191 D C 1.264 177.727 176.300 0.272 0.000 0.989 191 D CA 1.589 55.704 54.000 0.191 0.000 0.827 191 D CB -0.128 40.812 40.800 0.234 0.000 0.966 191 D HN 0.351 nan 8.370 nan 0.000 0.456 192 D N 0.004 120.531 120.400 0.212 0.000 2.133 192 D HA -0.178 4.463 4.640 0.001 0.000 0.195 192 D C 1.997 178.407 176.300 0.184 0.000 0.997 192 D CA 1.487 55.612 54.000 0.208 0.000 0.840 192 D CB -0.615 40.263 40.800 0.130 0.000 0.947 192 D HN 0.350 nan 8.370 nan 0.000 0.452 193 A N 0.681 123.569 122.820 0.114 0.000 1.902 193 A HA -0.206 4.115 4.320 0.001 0.000 0.217 193 A C 2.161 179.769 177.584 0.041 0.000 1.181 193 A CA 1.949 54.028 52.037 0.071 0.000 0.623 193 A CB -0.513 18.512 19.000 0.041 0.000 0.818 193 A HN 0.195 nan 8.150 nan 0.000 0.443 194 E N -0.900 119.303 120.200 0.004 0.000 2.047 194 E HA -0.188 4.163 4.350 0.001 0.000 0.191 194 E C 1.680 178.169 176.600 -0.184 0.000 0.987 194 E CA 1.504 57.831 56.400 -0.123 0.000 0.799 194 E CB -0.477 29.108 29.700 -0.192 0.000 0.752 194 E HN 0.716 nan 8.360 nan 0.000 0.449 195 W N 0.816 122.076 121.300 -0.067 0.000 2.358 195 W HA -0.086 4.574 4.660 0.001 0.000 0.303 195 W C 2.168 178.673 176.519 -0.023 0.000 1.208 195 W CA 1.284 58.548 57.345 -0.134 0.000 1.274 195 W CB -0.455 28.967 29.460 -0.064 0.000 1.138 195 W HN 0.249 nan 8.180 nan 0.000 0.515 196 D N 0.085 120.650 120.400 0.275 0.000 2.104 196 D HA -0.233 4.407 4.640 0.001 0.000 0.194 196 D C 2.159 178.529 176.300 0.117 0.000 0.994 196 D CA 1.692 55.821 54.000 0.216 0.000 0.830 196 D CB -0.233 40.652 40.800 0.143 0.000 0.959 196 D HN -0.036 nan 8.370 nan 0.000 0.452 197 R N -0.317 120.202 120.500 0.032 0.000 2.083 197 R HA -0.119 4.222 4.340 0.001 0.000 0.237 197 R C 2.509 178.763 176.300 -0.075 0.000 1.137 197 R CA 1.342 57.424 56.100 -0.030 0.000 0.951 197 R CB -0.380 29.881 30.300 -0.067 0.000 0.851 197 R HN 0.274 nan 8.270 nan 0.000 0.434 198 L N -0.587 120.551 121.223 -0.142 0.000 2.017 198 L HA -0.200 4.141 4.340 0.001 0.000 0.208 198 L C 2.405 179.203 176.870 -0.121 0.000 1.073 198 L CA 1.261 55.965 54.840 -0.227 0.000 0.745 198 L CB -0.618 41.190 42.059 -0.418 0.000 0.894 198 L HN 0.221 nan 8.230 nan 0.000 0.432 199 Y N 0.318 120.615 120.300 -0.005 0.000 2.181 199 Y HA -0.230 4.321 4.550 0.001 0.000 0.288 199 Y C 2.885 178.765 175.900 -0.032 0.000 1.146 199 Y CA 1.486 59.594 58.100 0.014 0.000 1.164 199 Y CB -1.159 37.342 38.460 0.069 0.000 0.982 199 Y HN 0.138 nan 8.280 nan 0.000 0.515 200 T N -0.250 114.381 114.554 0.128 0.000 2.720 200 T HA -0.236 4.115 4.350 0.001 0.000 0.268 200 T C 1.996 176.666 174.700 -0.049 0.000 1.037 200 T CA 1.798 63.922 62.100 0.039 0.000 1.144 200 T CB -0.176 68.706 68.868 0.024 0.000 0.864 200 T HN 0.239 nan 8.240 nan 0.000 0.444 201 K N 0.682 120.993 120.400 -0.148 0.000 2.057 201 K HA 0.042 4.363 4.320 0.001 0.000 0.206 201 K C 2.548 178.832 176.600 -0.526 0.000 1.050 201 K CA 1.015 57.091 56.287 -0.351 0.000 0.935 201 K CB -0.270 31.971 32.500 -0.432 0.000 0.715 201 K HN 0.268 nan 8.250 nan 0.000 0.439 202 A N 1.433 124.054 122.820 -0.332 0.000 1.883 202 A HA -0.215 4.106 4.320 0.001 0.000 0.217 202 A C 1.823 179.419 177.584 0.020 0.000 1.186 202 A CA 1.812 53.727 52.037 -0.205 0.000 0.624 202 A CB -0.537 18.459 19.000 -0.007 0.000 0.822 202 A HN 0.452 nan 8.150 nan 0.000 0.444 203 E N 0.295 120.547 120.200 0.088 0.000 2.118 203 E HA -0.174 4.177 4.350 0.001 0.000 0.195 203 E C 2.351 179.038 176.600 0.145 0.000 0.992 203 E CA 1.523 58.017 56.400 0.156 0.000 0.804 203 E CB -0.197 29.565 29.700 0.104 0.000 0.741 203 E HN 0.832 nan 8.360 nan 0.000 0.458 204 S N 0.099 115.838 115.700 0.065 0.000 2.383 204 S HA -0.165 4.305 4.470 0.001 0.000 0.227 204 S C 1.883 176.630 174.600 0.244 0.000 1.026 204 S CA 0.655 58.924 58.200 0.115 0.000 0.981 204 S CB -0.439 62.804 63.200 0.071 0.000 0.818 204 S HN 0.201 nan 8.310 nan 0.000 0.472 205 Y N 0.701 121.011 120.300 0.017 0.000 2.181 205 Y HA 0.114 4.665 4.550 0.001 0.000 0.288 205 Y C 1.998 177.919 175.900 0.034 0.000 1.146 205 Y CA -0.101 57.972 58.100 -0.046 0.000 1.164 205 Y CB -0.998 37.351 38.460 -0.185 0.000 0.982 205 Y HN 0.294 nan 8.280 nan 0.000 0.515 206 F N 0.128 120.234 119.950 0.261 0.000 2.743 206 F HA 0.054 4.582 4.527 0.001 0.000 0.297 206 F C 0.797 176.715 175.800 0.196 0.000 1.131 206 F CA 0.125 58.271 58.000 0.243 0.000 1.426 206 F CB -0.263 38.902 39.000 0.276 0.000 1.116 206 F HN -0.011 nan 8.300 nan 0.000 0.583 207 Q N 0.474 120.472 119.800 0.330 0.000 2.468 207 Q HA -0.188 4.153 4.340 0.001 0.000 0.289 207 Q C 0.042 176.138 176.000 0.161 0.000 1.299 207 Q CA 0.786 56.709 55.803 0.199 0.000 0.838 207 Q CB -2.726 26.105 28.738 0.155 0.000 1.195 207 Q HN 0.229 nan 8.270 nan 0.000 0.456 208 T N 0.090 114.754 114.554 0.183 0.000 2.928 208 T HA 0.410 4.761 4.350 0.001 0.000 0.305 208 T C 0.811 175.548 174.700 0.062 0.000 1.035 208 T CA 0.610 62.778 62.100 0.113 0.000 1.145 208 T CB 1.245 70.188 68.868 0.124 0.000 0.963 208 T HN 0.483 nan 8.240 nan 0.000 0.545 209 G N 0.667 109.488 108.800 0.035 0.000 2.695 209 G HA2 0.559 4.520 3.960 0.001 0.000 0.290 209 G HA3 0.559 4.520 3.960 0.001 0.000 0.290 209 G C 0.083 174.996 174.900 0.021 0.000 1.410 209 G CA -0.624 44.486 45.100 0.017 0.000 0.844 209 G HN 0.641 nan 8.290 nan 0.000 0.478 210 T N -2.360 112.206 114.554 0.019 0.000 3.339 210 T HA 0.270 4.621 4.350 0.001 0.000 0.292 210 T C 0.125 174.842 174.700 0.028 0.000 1.012 210 T CA 0.456 62.577 62.100 0.035 0.000 0.937 210 T CB 0.358 69.251 68.868 0.042 0.000 1.164 210 T HN 0.500 nan 8.240 nan 0.000 0.509 211 D N 0.218 120.615 120.400 -0.005 0.000 2.520 211 D HA 0.051 4.692 4.640 0.001 0.000 0.223 211 D C 1.353 177.586 176.300 -0.112 0.000 1.186 211 D CA -0.045 53.929 54.000 -0.044 0.000 0.821 211 D CB -0.083 40.686 40.800 -0.053 0.000 1.072 211 D HN 0.277 nan 8.370 nan 0.000 0.518 212 Q N -0.382 119.347 119.800 -0.119 0.000 2.364 212 Q HA 0.134 4.475 4.340 0.001 0.000 0.207 212 Q C 0.324 175.929 176.000 -0.658 0.000 0.970 212 Q CA 0.976 56.572 55.803 -0.345 0.000 0.888 212 Q CB -0.234 28.285 28.738 -0.364 0.000 0.951 212 Q HN 0.301 nan 8.270 nan 0.000 0.469 213 F N -0.390 119.399 119.950 -0.269 0.000 2.735 213 F HA 0.228 4.756 4.527 0.001 0.000 0.308 213 F C 1.220 176.813 175.800 -0.345 0.000 1.112 213 F CA -0.556 57.239 58.000 -0.340 0.000 1.235 213 F CB 0.354 39.079 39.000 -0.458 0.000 1.027 213 F HN -0.016 nan 8.300 nan 0.000 0.528 214 K N 0.492 120.803 120.400 -0.149 0.000 2.209 214 K HA -0.130 4.191 4.320 0.001 0.000 0.204 214 K C 0.737 177.253 176.600 -0.139 0.000 1.048 214 K CA 1.754 58.000 56.287 -0.069 0.000 0.940 214 K CB -0.185 32.261 32.500 -0.091 0.000 0.729 214 K HN 0.322 nan 8.250 nan 0.000 0.451 215 E N 1.486 121.494 120.200 -0.320 0.000 2.499 215 E HA 0.064 4.415 4.350 0.001 0.000 0.199 215 E C -0.765 175.707 176.600 -0.214 0.000 1.016 215 E CA -0.357 55.645 56.400 -0.663 0.000 0.933 215 E CB 0.973 30.131 29.700 -0.905 0.000 1.050 215 E HN 0.218 nan 8.360 nan 0.000 0.462 216 S N 0.700 116.406 115.700 0.009 0.000 2.510 216 S HA 0.135 4.606 4.470 0.001 0.000 0.279 216 S C 1.281 175.970 174.600 0.149 0.000 1.284 216 S CA -0.384 57.879 58.200 0.106 0.000 1.059 216 S CB 0.395 63.705 63.200 0.184 0.000 0.901 216 S HN 0.232 nan 8.310 nan 0.000 0.491 217 I N 5.053 125.582 120.570 -0.069 0.000 2.179 217 I HA -0.174 3.996 4.170 0.001 0.000 0.242 217 I C 2.711 178.649 176.117 -0.297 0.000 1.088 217 I CA 1.208 62.205 61.300 -0.505 0.000 1.357 217 I CB -0.252 37.215 38.000 -0.889 0.000 1.051 217 I HN 0.705 nan 8.210 nan 0.000 0.409 218 R N -0.439 119.979 120.500 -0.137 0.000 2.081 218 R HA -0.238 4.103 4.340 0.001 0.000 0.235 218 R C 2.363 178.693 176.300 0.049 0.000 1.131 218 R CA 1.791 57.864 56.100 -0.045 0.000 0.960 218 R CB -0.677 29.608 30.300 -0.024 0.000 0.856 218 R HN 0.443 nan 8.270 nan 0.000 0.436 219 H N 1.152 120.238 119.070 0.027 0.000 2.293 219 H HA -0.047 4.510 4.556 0.001 0.000 0.300 219 H C 1.791 177.188 175.328 0.114 0.000 1.082 219 H CA 1.895 57.981 56.048 0.063 0.000 1.308 219 H CB -0.091 29.737 29.762 0.110 0.000 1.375 219 H HN 0.124 nan 8.280 nan 0.000 0.495 220 N N 0.121 118.925 118.700 0.173 0.000 2.188 220 N HA -0.129 4.612 4.740 0.001 0.000 0.184 220 N C 2.053 177.706 175.510 0.238 0.000 1.018 220 N CA 0.998 54.191 53.050 0.238 0.000 0.858 220 N CB -0.270 38.570 38.487 0.588 0.000 0.989 220 N HN 0.297 nan 8.380 nan 0.000 0.426 221 L N 1.429 122.812 121.223 0.267 0.000 1.990 221 L HA -0.167 4.174 4.340 0.001 0.000 0.213 221 L C 2.165 179.091 176.870 0.093 0.000 1.072 221 L CA 1.509 56.496 54.840 0.246 0.000 0.755 221 L CB -0.641 41.515 42.059 0.163 0.000 0.889 221 L HN -0.102 nan 8.230 nan 0.000 0.432 222 V N -0.980 118.942 119.914 0.012 0.000 2.323 222 V HA -0.235 3.886 4.120 0.001 0.000 0.244 222 V C 2.413 178.438 176.094 -0.116 0.000 1.041 222 V CA 1.534 63.809 62.300 -0.042 0.000 1.025 222 V CB -0.584 31.192 31.823 -0.079 0.000 0.656 222 V HN 0.496 nan 8.190 nan 0.000 0.451 223 L N 0.998 122.115 121.223 -0.177 0.000 2.013 223 L HA -0.203 4.138 4.340 0.001 0.000 0.212 223 L C 2.238 179.039 176.870 -0.115 0.000 1.073 223 L CA 2.148 56.874 54.840 -0.189 0.000 0.753 223 L CB -0.880 41.024 42.059 -0.258 0.000 0.890 223 L HN 0.329 nan 8.230 nan 0.000 0.432 224 N N -0.253 118.428 118.700 -0.031 0.000 2.120 224 N HA -0.206 4.534 4.740 0.001 0.000 0.188 224 N C 1.843 177.330 175.510 -0.038 0.000 1.024 224 N CA 1.364 54.411 53.050 -0.005 0.000 0.852 224 N CB -0.337 38.176 38.487 0.043 0.000 1.003 224 N HN 0.280 nan 8.380 nan 0.000 0.424 225 K N 1.329 121.708 120.400 -0.036 0.000 2.026 225 K HA 0.047 4.367 4.320 0.001 0.000 0.208 225 K C 1.951 178.495 176.600 -0.092 0.000 1.048 225 K CA 0.936 57.199 56.287 -0.041 0.000 0.929 225 K CB -0.433 32.064 32.500 -0.004 0.000 0.713 225 K HN 0.117 nan 8.250 nan 0.000 0.439 226 L N 0.019 121.113 121.223 -0.216 0.000 2.093 226 L HA -0.148 4.193 4.340 0.001 0.000 0.208 226 L C 2.263 178.883 176.870 -0.417 0.000 1.085 226 L CA 1.595 56.173 54.840 -0.435 0.000 0.755 226 L CB -0.784 40.619 42.059 -1.093 0.000 0.904 226 L HN 0.249 nan 8.230 nan 0.000 0.435 227 T N -0.700 113.665 114.554 -0.315 0.000 2.684 227 T HA -0.280 4.071 4.350 0.001 0.000 0.267 227 T C 1.777 176.508 174.700 0.051 0.000 1.036 227 T CA 1.866 63.960 62.100 -0.010 0.000 1.148 227 T CB -0.149 68.739 68.868 0.035 0.000 0.863 227 T HN 0.410 nan 8.240 nan 0.000 0.436 228 E N 0.593 120.792 120.200 -0.002 0.000 2.051 228 E HA -0.177 4.173 4.350 0.001 0.000 0.192 228 E C 2.211 178.804 176.600 -0.012 0.000 0.991 228 E CA 0.998 57.396 56.400 -0.003 0.000 0.799 228 E CB 0.028 29.713 29.700 -0.026 0.000 0.748 228 E HN 0.351 nan 8.360 nan 0.000 0.449 229 E N -0.385 119.792 120.200 -0.037 0.000 2.153 229 E HA -0.173 4.178 4.350 0.001 0.000 0.194 229 E C 0.932 177.387 176.600 -0.241 0.000 0.988 229 E CA 1.004 57.317 56.400 -0.145 0.000 0.811 229 E CB -0.023 29.566 29.700 -0.185 0.000 0.746 229 E HN 0.490 nan 8.360 nan 0.000 0.466 230 Y N 0.316 120.642 120.300 0.043 0.000 2.681 230 Y HA 0.185 4.736 4.550 0.001 0.000 0.267 230 Y C 0.565 176.528 175.900 0.106 0.000 1.166 230 Y CA -0.415 57.756 58.100 0.117 0.000 1.209 230 Y CB 0.393 39.022 38.460 0.281 0.000 1.161 230 Y HN -0.294 nan 8.280 nan 0.000 0.534 231 K N 0.934 121.425 120.400 0.152 0.000 2.473 231 K HA 0.038 4.359 4.320 0.001 0.000 0.277 231 K C 1.160 177.819 176.600 0.098 0.000 1.052 231 K CA 1.369 57.722 56.287 0.110 0.000 1.114 231 K CB -0.163 32.370 32.500 0.054 0.000 0.869 231 K HN 0.705 nan 8.250 nan 0.000 0.481 232 G N 3.289 112.152 108.800 0.104 0.000 2.184 232 G HA2 -0.304 3.657 3.960 0.001 0.000 0.264 232 G HA3 -0.304 3.657 3.960 0.001 0.000 0.264 232 G C 0.604 175.562 174.900 0.097 0.000 0.975 232 G CA 0.723 45.873 45.100 0.084 0.000 0.642 232 G HN 0.732 nan 8.290 nan 0.000 0.536 233 Q N -1.417 118.469 119.800 0.143 0.000 2.534 233 Q HA 0.274 4.614 4.340 0.001 0.000 0.252 233 Q C 1.145 177.240 176.000 0.159 0.000 0.850 233 Q CA 0.207 56.105 55.803 0.158 0.000 0.974 233 Q CB 0.953 29.814 28.738 0.206 0.000 1.205 233 Q HN 0.499 nan 8.270 nan 0.000 0.593 234 R N 0.408 121.015 120.500 0.178 0.000 2.740 234 R HA 0.391 4.731 4.340 0.001 0.000 0.273 234 R C -1.618 174.721 176.300 0.065 0.000 0.998 234 R CA -0.726 55.394 56.100 0.033 0.000 0.900 234 R CB 1.695 31.813 30.300 -0.302 0.000 1.223 234 R HN -0.043 nan 8.270 nan 0.000 0.466 235 D N 1.335 121.699 120.400 -0.060 0.000 2.185 235 D HA 0.400 5.041 4.640 0.001 0.000 0.247 235 D C -0.785 175.396 176.300 -0.198 0.000 1.027 235 D CA 0.035 54.038 54.000 0.005 0.000 0.861 235 D CB 1.373 42.183 40.800 0.017 0.000 1.202 235 D HN 0.129 nan 8.370 nan 0.000 0.453 236 F N 0.786 120.737 119.950 0.001 0.000 2.522 236 F HA 0.374 4.902 4.527 0.002 0.000 0.324 236 F C 0.729 176.539 175.800 0.017 0.000 1.077 236 F CA -0.608 57.384 58.000 -0.012 0.000 0.944 236 F CB 1.817 40.803 39.000 -0.025 0.000 1.175 236 F HN 0.226 nan 8.300 nan 0.000 0.468 237 Q N -0.035 119.871 119.800 0.177 0.000 2.814 237 Q HA 0.360 4.700 4.340 0.001 0.000 0.322 237 Q C -1.581 174.529 176.000 0.182 0.000 0.888 237 Q CA -1.284 54.612 55.803 0.155 0.000 0.768 237 Q CB 1.714 30.511 28.738 0.099 0.000 1.443 237 Q HN 0.613 nan 8.270 nan 0.000 0.497 238 Q N 0.879 120.805 119.800 0.209 0.000 2.314 238 Q HA 0.292 4.633 4.340 0.001 0.000 0.258 238 Q C -0.560 175.508 176.000 0.114 0.000 0.954 238 Q CA -0.338 55.601 55.803 0.228 0.000 0.890 238 Q CB 0.604 29.438 28.738 0.160 0.000 1.210 238 Q HN 0.567 nan 8.270 nan 0.000 0.410 239 I N 6.501 127.117 120.570 0.076 0.000 2.826 239 I HA -0.070 4.101 4.170 0.001 0.000 0.295 239 I C -1.956 174.180 176.117 0.032 0.000 1.213 239 I CA -1.298 60.024 61.300 0.037 0.000 1.436 239 I CB 0.132 38.122 38.000 -0.016 0.000 1.348 239 I HN 0.467 nan 8.210 nan 0.000 0.570 240 P HA 0.191 nan 4.420 nan 0.000 0.266 240 P C -0.904 176.392 177.300 -0.006 0.000 1.215 240 P CA 0.254 63.359 63.100 0.008 0.000 0.763 240 P CB 0.386 32.076 31.700 -0.016 0.000 0.806 241 L N 2.448 123.680 121.223 0.015 0.000 2.386 241 L HA 0.628 4.969 4.340 0.001 0.000 0.271 241 L C 0.339 177.212 176.870 0.005 0.000 0.993 241 L CA -1.171 53.677 54.840 0.013 0.000 0.819 241 L CB 2.121 44.258 42.059 0.129 0.000 1.294 241 L HN 0.228 nan 8.230 nan 0.000 0.414 242 A N 3.093 125.881 122.820 -0.055 0.000 2.671 242 A HA 0.753 5.074 4.320 0.001 0.000 0.306 242 A C 0.034 177.658 177.584 0.066 0.000 1.473 242 A CA 0.135 52.186 52.037 0.022 0.000 1.155 242 A CB -0.399 18.570 19.000 -0.052 0.000 1.123 242 A HN 0.794 nan 8.150 nan 0.000 0.545 243 A N 1.813 124.634 122.820 0.002 0.000 2.590 243 A HA 0.732 5.053 4.320 0.001 0.000 0.294 243 A C -0.519 176.957 177.584 -0.180 0.000 1.046 243 A CA -0.483 51.451 52.037 -0.172 0.000 0.684 243 A CB 0.732 19.442 19.000 -0.483 0.000 1.279 243 A HN 0.668 nan 8.150 nan 0.000 0.415 244 T N 1.383 115.800 114.554 -0.229 0.000 2.840 244 T HA 0.487 4.838 4.350 0.001 0.000 0.287 244 T C -0.076 174.476 174.700 -0.247 0.000 0.991 244 T CA -0.449 61.542 62.100 -0.181 0.000 0.964 244 T CB 1.244 70.063 68.868 -0.081 0.000 0.954 244 T HN 0.739 nan 8.240 nan 0.000 0.438 245 R N 2.341 122.680 120.500 -0.269 0.000 2.401 245 R HA 0.215 4.556 4.340 0.001 0.000 0.299 245 R C 0.758 176.977 176.300 -0.134 0.000 1.064 245 R CA -0.315 55.624 56.100 -0.268 0.000 1.000 245 R CB 0.369 30.473 30.300 -0.328 0.000 0.973 245 R HN 0.404 nan 8.270 nan 0.000 0.438 246 R N 1.193 121.667 120.500 -0.043 0.000 2.254 246 R HA 0.134 4.475 4.340 0.001 0.000 0.193 246 R C 0.187 176.466 176.300 -0.036 0.000 0.929 246 R CA 0.643 56.733 56.100 -0.018 0.000 1.038 246 R CB 0.343 30.655 30.300 0.021 0.000 1.009 246 R HN 0.771 nan 8.270 nan 0.000 0.512 247 S N -1.596 114.094 115.700 -0.017 0.000 2.636 247 S HA 0.353 4.824 4.470 0.001 0.000 0.268 247 S C -2.628 171.943 174.600 -0.049 0.000 1.159 247 S CA -1.028 57.155 58.200 -0.028 0.000 0.815 247 S CB 2.003 65.204 63.200 0.002 0.000 1.130 247 S HN -0.266 nan 8.310 nan 0.000 0.471 248 P HA 0.006 nan 4.420 nan 0.000 0.221 248 P C 0.935 178.210 177.300 -0.041 0.000 1.145 248 P CA 1.857 64.920 63.100 -0.061 0.000 0.795 248 P CB -0.177 31.505 31.700 -0.031 0.000 0.775 249 T N -6.678 107.885 114.554 0.014 0.000 3.231 249 T HA 0.328 4.679 4.350 0.001 0.000 0.292 249 T C -0.313 174.449 174.700 0.104 0.000 1.001 249 T CA -0.366 61.762 62.100 0.047 0.000 0.920 249 T CB -0.638 68.275 68.868 0.075 0.000 1.140 249 T HN -0.134 nan 8.240 nan 0.000 0.525 250 F N 1.481 121.373 119.950 -0.097 0.000 2.617 250 F HA 0.630 5.157 4.527 0.001 0.000 0.325 250 F C -1.550 174.122 175.800 -0.213 0.000 1.179 250 F CA -1.073 56.865 58.000 -0.104 0.000 0.965 250 F CB 1.896 40.852 39.000 -0.074 0.000 1.232 250 F HN -0.094 nan 8.300 nan 0.000 0.461 251 V N 5.293 124.879 119.914 -0.546 0.000 2.409 251 V HA 0.276 4.396 4.120 0.001 0.000 0.291 251 V C -0.313 175.272 176.094 -0.849 0.000 1.020 251 V CA -0.807 61.075 62.300 -0.697 0.000 0.848 251 V CB 1.630 32.838 31.823 -1.026 0.000 0.990 251 V HN 0.710 nan 8.190 nan 0.000 0.430 252 E N 4.832 124.788 120.200 -0.408 0.000 1.996 252 E HA 0.148 4.498 4.350 0.001 0.000 0.280 252 E C -1.015 175.386 176.600 -0.332 0.000 1.092 252 E CA -0.556 55.734 56.400 -0.182 0.000 0.862 252 E CB 0.420 30.185 29.700 0.107 0.000 1.066 252 E HN 0.624 nan 8.360 nan 0.000 0.396 253 W N 3.077 124.288 121.300 -0.149 0.000 2.190 253 W HA 0.127 4.788 4.660 0.001 0.000 0.330 253 W C 0.652 177.204 176.519 0.056 0.000 1.299 253 W CA -0.530 56.702 57.345 -0.188 0.000 1.215 253 W CB 0.834 29.926 29.460 -0.614 0.000 1.147 253 W HN 0.328 nan 8.180 nan 0.000 0.563 254 S N 1.591 117.510 115.700 0.365 0.000 2.624 254 S HA 0.591 5.062 4.470 0.001 0.000 0.263 254 S C 0.174 175.230 174.600 0.761 0.000 1.287 254 S CA -0.492 57.999 58.200 0.484 0.000 0.990 254 S CB 1.105 64.594 63.200 0.483 0.000 0.950 254 S HN 0.523 nan 8.310 nan 0.000 0.561 255 S N -0.476 115.612 115.700 0.647 0.000 2.703 255 S HA 0.669 5.140 4.470 0.001 0.000 0.273 255 S C 0.708 175.513 174.600 0.341 0.000 1.178 255 S CA -0.308 58.203 58.200 0.519 0.000 0.838 255 S CB 0.511 63.943 63.200 0.388 0.000 1.178 255 S HN 0.723 nan 8.310 nan 0.000 0.494 256 A N 1.542 124.459 122.820 0.163 0.000 1.917 256 A HA -0.162 4.159 4.320 0.001 0.000 0.219 256 A C 2.011 179.647 177.584 0.087 0.000 1.182 256 A CA 2.086 54.174 52.037 0.085 0.000 0.633 256 A CB -1.562 17.460 19.000 0.036 0.000 0.819 256 A HN 0.867 nan 8.150 nan 0.000 0.448 257 N N -0.513 118.247 118.700 0.100 0.000 2.137 257 N HA -0.168 4.573 4.740 0.001 0.000 0.190 257 N C 1.549 177.088 175.510 0.048 0.000 1.017 257 N CA 2.079 55.162 53.050 0.055 0.000 0.859 257 N CB -0.207 38.326 38.487 0.076 0.000 1.002 257 N HN 0.477 nan 8.380 nan 0.000 0.428 258 T N 0.571 115.203 114.554 0.129 0.000 2.746 258 T HA -0.067 4.284 4.350 0.001 0.000 0.267 258 T C 2.101 176.837 174.700 0.059 0.000 1.039 258 T CA 1.218 63.398 62.100 0.133 0.000 1.142 258 T CB -0.275 68.752 68.868 0.266 0.000 0.866 258 T HN 0.056 nan 8.240 nan 0.000 0.444 259 V N -0.349 119.584 119.914 0.031 0.000 2.307 259 V HA 0.106 4.226 4.120 0.001 0.000 0.245 259 V C 0.596 176.644 176.094 -0.077 0.000 1.045 259 V CA 1.069 63.304 62.300 -0.108 0.000 1.024 259 V CB -0.377 31.330 31.823 -0.193 0.000 0.651 259 V HN 0.486 nan 8.190 nan 0.000 0.449 260 F N 0.837 120.657 119.950 -0.217 0.000 2.588 260 F HA 0.399 4.927 4.527 0.002 0.000 0.318 260 F C 0.284 175.968 175.800 -0.194 0.000 1.155 260 F CA -1.585 56.259 58.000 -0.259 0.000 0.967 260 F CB 1.474 40.267 39.000 -0.346 0.000 1.236 260 F HN 0.165 nan 8.300 nan 0.000 0.455 261 D N 4.717 124.673 120.400 -0.740 0.000 2.371 261 D HA -0.058 4.582 4.640 0.001 0.000 0.221 261 D C 1.143 177.174 176.300 -0.449 0.000 0.986 261 D CA 1.134 54.849 54.000 -0.476 0.000 0.899 261 D CB -0.062 40.510 40.800 -0.379 0.000 0.902 261 D HN 0.680 nan 8.370 nan 0.000 0.530 262 L N -1.971 118.827 121.223 -0.708 0.000 4.696 262 L HA -0.235 4.106 4.340 0.001 0.000 0.425 262 L C -0.304 176.558 176.870 -0.013 0.000 1.115 262 L CA 0.421 55.150 54.840 -0.185 0.000 0.996 262 L CB -1.442 40.639 42.059 0.037 0.000 2.077 262 L HN 0.233 nan 8.230 nan 0.000 0.792 263 Q N 1.057 120.746 119.800 -0.186 0.000 2.304 263 Q HA 0.234 4.575 4.340 0.001 0.000 0.260 263 Q C 0.376 176.437 176.000 0.102 0.000 0.965 263 Q CA -0.110 55.659 55.803 -0.056 0.000 0.898 263 Q CB 0.682 29.347 28.738 -0.122 0.000 1.196 263 Q HN 0.126 nan 8.270 nan 0.000 0.402 264 N N 2.237 120.989 118.700 0.087 0.000 2.412 264 N HA 0.024 4.765 4.740 0.001 0.000 0.254 264 N C -0.253 175.308 175.510 0.085 0.000 1.232 264 N CA 0.526 53.620 53.050 0.073 0.000 0.880 264 N CB 0.544 38.981 38.487 -0.083 0.000 1.076 264 N HN 0.261 nan 8.380 nan 0.000 0.458 265 R N 1.538 122.114 120.500 0.128 0.000 2.807 265 R HA 0.492 4.833 4.340 0.001 0.000 0.276 265 R C -2.419 173.914 176.300 0.053 0.000 0.979 265 R CA -1.635 54.524 56.100 0.099 0.000 0.928 265 R CB 1.888 32.274 30.300 0.142 0.000 1.191 265 R HN 0.403 nan 8.270 nan 0.000 0.471 266 P HA 0.045 nan 4.420 nan 0.000 0.271 266 P C -1.384 175.960 177.300 0.074 0.000 1.216 266 P CA -0.140 63.026 63.100 0.110 0.000 0.776 266 P CB 0.740 32.569 31.700 0.215 0.000 0.881 267 N N -0.184 118.551 118.700 0.059 0.000 2.831 267 N HA 0.247 4.988 4.740 0.001 0.000 0.276 267 N C 0.653 176.179 175.510 0.026 0.000 1.416 267 N CA -0.748 52.320 53.050 0.031 0.000 0.799 267 N CB -0.513 37.979 38.487 0.008 0.000 1.554 267 N HN 0.065 nan 8.380 nan 0.000 0.541 268 T N -0.825 113.736 114.554 0.011 0.000 2.759 268 T HA -0.091 4.260 4.350 0.001 0.000 0.269 268 T C 0.392 175.095 174.700 0.004 0.000 1.042 268 T CA 1.492 63.596 62.100 0.007 0.000 1.140 268 T CB -0.378 68.489 68.868 -0.001 0.000 0.864 268 T HN 0.508 nan 8.240 nan 0.000 0.455 269 D N 0.911 121.308 120.400 -0.005 0.000 2.289 269 D HA 0.186 4.826 4.640 0.001 0.000 0.207 269 D C 0.808 177.107 176.300 -0.001 0.000 0.966 269 D CA 0.412 54.406 54.000 -0.011 0.000 0.868 269 D CB 0.228 41.011 40.800 -0.029 0.000 0.943 269 D HN 0.365 nan 8.370 nan 0.000 0.514 270 A N 1.377 124.205 122.820 0.012 0.000 3.216 270 A HA 0.326 4.647 4.320 0.001 0.000 0.321 270 A C -1.997 175.630 177.584 0.071 0.000 1.042 270 A CA -0.889 51.169 52.037 0.035 0.000 0.838 270 A CB 1.043 20.060 19.000 0.028 0.000 1.136 270 A HN -0.151 nan 8.150 nan 0.000 0.483 271 P HA -0.068 nan 4.420 nan 0.000 0.225 271 P C 0.656 178.080 177.300 0.207 0.000 1.156 271 P CA 1.057 64.221 63.100 0.107 0.000 0.787 271 P CB 0.437 32.171 31.700 0.056 0.000 0.802 272 E N -0.335 119.986 120.200 0.201 0.000 2.474 272 E HA 0.078 4.429 4.350 0.001 0.000 0.195 272 E C 0.241 177.026 176.600 0.308 0.000 1.039 272 E CA 0.014 56.614 56.400 0.334 0.000 0.881 272 E CB 0.315 30.125 29.700 0.184 0.000 0.970 272 E HN 0.470 nan 8.360 nan 0.000 0.486 273 E N 0.747 121.050 120.200 0.171 0.000 2.250 273 E HA 0.414 4.765 4.350 0.001 0.000 0.269 273 E C -0.331 176.261 176.600 -0.012 0.000 1.018 273 E CA -0.473 55.969 56.400 0.071 0.000 0.873 273 E CB 1.423 31.180 29.700 0.094 0.000 1.134 273 E HN -0.112 nan 8.360 nan 0.000 0.403 274 R N 1.812 122.288 120.500 -0.039 0.000 2.500 274 R HA 0.416 4.756 4.340 0.001 0.000 0.299 274 R C -1.632 174.736 176.300 0.113 0.000 1.038 274 R CA -0.555 55.497 56.100 -0.080 0.000 0.903 274 R CB 1.046 31.173 30.300 -0.288 0.000 1.177 274 R HN 0.396 nan 8.270 nan 0.000 0.455 275 F N 2.317 122.241 119.950 -0.043 0.000 2.605 275 F HA 0.432 4.959 4.527 0.001 0.000 0.320 275 F C -1.693 174.039 175.800 -0.113 0.000 1.159 275 F CA -0.688 57.288 58.000 -0.039 0.000 0.999 275 F CB 1.925 40.976 39.000 0.085 0.000 1.258 275 F HN 0.394 nan 8.300 nan 0.000 0.464 276 N N 4.833 122.892 118.700 -1.069 0.000 2.296 276 N HA 0.603 5.344 4.740 0.001 0.000 0.294 276 N C -1.965 172.472 175.510 -1.788 0.000 1.033 276 N CA -0.677 51.636 53.050 -1.229 0.000 0.839 276 N CB 2.335 40.267 38.487 -0.926 0.000 1.395 276 N HN 0.558 nan 8.380 nan 0.000 0.479 277 L N 2.297 122.690 121.223 -1.384 0.000 2.295 277 L HA 0.627 4.967 4.340 0.001 0.000 0.285 277 L C -1.610 174.665 176.870 -0.992 0.000 1.035 277 L CA -0.257 54.024 54.840 -0.931 0.000 0.806 277 L CB 0.158 42.033 42.059 -0.306 0.000 1.214 277 L HN 0.481 nan 8.230 nan 0.000 0.426 278 F N 6.252 125.926 119.950 -0.461 0.000 2.564 278 F HA 0.515 5.042 4.527 0.001 0.000 0.368 278 F C -2.155 173.566 175.800 -0.131 0.000 1.127 278 F CA -2.102 55.707 58.000 -0.318 0.000 1.170 278 F CB 0.671 39.392 39.000 -0.464 0.000 1.397 278 F HN 0.412 nan 8.300 nan 0.000 0.493 279 P HA 0.294 nan 4.420 nan 0.000 0.274 279 P C 0.112 177.461 177.300 0.082 0.000 1.256 279 P CA -0.117 63.016 63.100 0.054 0.000 0.795 279 P CB 0.969 32.682 31.700 0.021 0.000 1.038 280 A N -1.022 121.833 122.820 0.057 0.000 2.783 280 A HA -0.109 4.212 4.320 0.001 0.000 0.292 280 A C -0.010 177.600 177.584 0.043 0.000 1.495 280 A CA 0.801 52.866 52.037 0.046 0.000 0.787 280 A CB -2.447 16.578 19.000 0.042 0.000 1.017 280 A HN 0.260 nan 8.150 nan 0.000 0.516 281 V N -0.265 119.693 119.914 0.073 0.000 2.376 281 V HA 0.651 4.772 4.120 0.001 0.000 0.287 281 V C 0.662 176.765 176.094 0.014 0.000 1.015 281 V CA -0.356 61.988 62.300 0.074 0.000 0.834 281 V CB 1.383 33.350 31.823 0.240 0.000 1.001 281 V HN 1.442 nan 8.190 nan 0.000 0.428 282 A N 4.286 127.087 122.820 -0.032 0.000 2.395 282 A HA 0.382 4.703 4.320 0.001 0.000 0.286 282 A C 0.242 177.795 177.584 -0.052 0.000 1.193 282 A CA -0.124 51.886 52.037 -0.047 0.000 0.852 282 A CB -0.303 18.717 19.000 0.033 0.000 1.118 282 A HN 0.878 nan 8.150 nan 0.000 0.524 283 C N 3.111 122.358 119.300 -0.089 0.000 2.394 283 C HA 0.323 4.784 4.460 0.001 0.000 0.362 283 C C 1.369 176.322 174.990 -0.062 0.000 1.268 283 C CA -0.304 58.646 59.018 -0.113 0.000 1.828 283 C CB -0.494 27.172 27.740 -0.124 0.000 2.442 283 C HN 0.998 nan 8.230 nan 0.000 0.549 284 E N 1.264 121.457 120.200 -0.012 0.000 2.290 284 E HA 0.086 4.437 4.350 0.001 0.000 0.199 284 E C 0.345 176.956 176.600 0.018 0.000 0.912 284 E CA 0.344 56.770 56.400 0.043 0.000 0.924 284 E CB 0.425 30.226 29.700 0.169 0.000 0.901 284 E HN 0.767 nan 8.360 nan 0.000 0.487 285 R N 0.191 120.709 120.500 0.031 0.000 2.664 285 R HA 0.433 4.774 4.340 0.001 0.000 0.266 285 R C -0.860 175.424 176.300 -0.026 0.000 1.046 285 R CA -0.829 55.266 56.100 -0.008 0.000 0.885 285 R CB 1.123 31.410 30.300 -0.021 0.000 1.254 285 R HN -0.078 nan 8.270 nan 0.000 0.465 286 V N -0.580 119.298 119.914 -0.060 0.000 2.472 286 V HA 0.619 4.740 4.120 0.001 0.000 0.290 286 V C 0.061 176.098 176.094 -0.096 0.000 1.037 286 V CA -0.874 61.349 62.300 -0.129 0.000 0.908 286 V CB 1.666 33.370 31.823 -0.199 0.000 0.985 286 V HN 0.514 nan 8.190 nan 0.000 0.454 287 V N 5.530 125.370 119.914 -0.122 0.000 2.406 287 V HA 0.456 4.577 4.120 0.001 0.000 0.272 287 V C 0.624 176.688 176.094 -0.050 0.000 1.043 287 V CA -0.431 61.825 62.300 -0.075 0.000 0.915 287 V CB 0.829 32.621 31.823 -0.050 0.000 0.988 287 V HN 0.935 nan 8.190 nan 0.000 0.466 288 R N 3.748 124.240 120.500 -0.014 0.000 2.410 288 R HA 0.324 4.665 4.340 0.001 0.000 0.288 288 R C 0.263 176.598 176.300 0.059 0.000 1.051 288 R CA -0.620 55.535 56.100 0.091 0.000 1.021 288 R CB 0.756 31.094 30.300 0.064 0.000 1.032 288 R HN 0.872 nan 8.270 nan 0.000 0.481 289 N N 1.495 120.247 118.700 0.086 0.000 2.354 289 N HA 0.005 4.745 4.740 0.001 0.000 0.246 289 N C 0.633 176.143 175.510 0.000 0.000 1.285 289 N CA 0.111 53.178 53.050 0.029 0.000 0.925 289 N CB 0.444 38.946 38.487 0.025 0.000 1.174 289 N HN 0.568 nan 8.380 nan 0.000 0.478 290 A N 0.477 123.289 122.820 -0.013 0.000 1.948 290 A HA -0.114 4.207 4.320 0.001 0.000 0.220 290 A C 2.181 179.739 177.584 -0.043 0.000 1.177 290 A CA 1.168 53.190 52.037 -0.025 0.000 0.636 290 A CB -0.900 18.088 19.000 -0.021 0.000 0.815 290 A HN 0.656 nan 8.150 nan 0.000 0.449 291 L N -1.004 120.185 121.223 -0.057 0.000 2.552 291 L HA -0.030 4.311 4.340 0.001 0.000 0.227 291 L C 0.107 176.884 176.870 -0.154 0.000 1.146 291 L CA 0.050 54.838 54.840 -0.087 0.000 0.858 291 L CB -0.423 41.586 42.059 -0.083 0.000 0.969 291 L HN 0.400 nan 8.230 nan 0.000 0.451 292 N N 0.149 118.745 118.700 -0.172 0.000 2.725 292 N HA -0.185 4.556 4.740 0.001 0.000 0.251 292 N C 0.870 175.791 175.510 -0.982 0.000 1.031 292 N CA 1.052 53.886 53.050 -0.360 0.000 0.720 292 N CB -1.108 37.296 38.487 -0.139 0.000 0.930 292 N HN 0.537 nan 8.380 nan 0.000 0.543 293 S N -2.107 113.152 115.700 -0.736 0.000 2.632 293 S HA 0.273 4.744 4.470 0.001 0.000 0.237 293 S C 0.239 174.631 174.600 -0.347 0.000 1.037 293 S CA -0.217 57.617 58.200 -0.610 0.000 1.009 293 S CB 1.551 64.600 63.200 -0.251 0.000 0.974 293 S HN 0.374 nan 8.310 nan 0.000 0.544 294 E N 0.328 120.453 120.200 -0.125 0.000 2.363 294 E HA 0.416 4.767 4.350 0.001 0.000 0.281 294 E C -1.736 175.065 176.600 0.336 0.000 0.953 294 E CA -0.807 55.717 56.400 0.207 0.000 0.778 294 E CB 1.327 31.106 29.700 0.131 0.000 1.220 294 E HN 0.105 nan 8.360 nan 0.000 0.431 295 I N 3.377 124.107 120.570 0.268 0.000 2.396 295 I HA 0.152 4.323 4.170 0.001 0.000 0.292 295 I C 0.912 176.990 176.117 -0.065 0.000 0.999 295 I CA 0.057 61.343 61.300 -0.023 0.000 1.310 295 I CB 1.320 39.068 38.000 -0.420 0.000 1.404 295 I HN 0.686 nan 8.210 nan 0.000 0.496 296 E N 2.935 123.084 120.200 -0.087 0.000 2.389 296 E HA 0.096 4.447 4.350 0.001 0.000 0.199 296 E C 0.168 176.803 176.600 0.057 0.000 0.978 296 E CA 0.362 56.783 56.400 0.034 0.000 0.912 296 E CB 0.618 30.341 29.700 0.039 0.000 0.907 296 E HN 0.713 nan 8.360 nan 0.000 0.494 297 S N -0.400 115.241 115.700 -0.098 0.000 2.595 297 S HA 0.470 4.941 4.470 0.001 0.000 0.270 297 S C -1.549 172.995 174.600 -0.094 0.000 1.145 297 S CA -1.055 57.165 58.200 0.033 0.000 0.825 297 S CB 1.226 64.474 63.200 0.079 0.000 1.107 297 S HN 0.010 nan 8.310 nan 0.000 0.461 298 L N 2.186 123.452 121.223 0.071 0.000 2.305 298 L HA 0.665 5.005 4.340 0.001 0.000 0.284 298 L C -0.658 176.207 176.870 -0.009 0.000 1.013 298 L CA -0.151 54.690 54.840 0.001 0.000 0.819 298 L CB 1.137 43.221 42.059 0.041 0.000 1.227 298 L HN 1.016 nan 8.230 nan 0.000 0.417 299 H N 5.266 124.286 119.070 -0.083 0.000 2.620 299 H HA 0.629 5.185 4.556 0.001 0.000 0.313 299 H C -0.563 174.710 175.328 -0.091 0.000 1.075 299 H CA -0.095 55.913 56.048 -0.068 0.000 1.397 299 H CB 0.728 30.455 29.762 -0.059 0.000 1.446 299 H HN 0.657 nan 8.280 nan 0.000 0.493 300 I N 1.576 121.771 120.570 -0.625 0.000 2.934 300 I HA 0.419 4.590 4.170 0.001 0.000 0.306 300 I C -1.293 174.632 176.117 -0.320 0.000 1.110 300 I CA -0.971 60.088 61.300 -0.401 0.000 1.019 300 I CB 2.581 40.328 38.000 -0.421 0.000 1.227 300 I HN 0.683 nan 8.210 nan 0.000 0.434 301 H N 3.219 122.163 119.070 -0.211 0.000 2.906 301 H HA 0.245 4.801 4.556 0.001 0.000 0.324 301 H C -1.542 173.786 175.328 -0.001 0.000 0.973 301 H CA -0.679 55.307 56.048 -0.104 0.000 1.321 301 H CB 1.461 31.196 29.762 -0.046 0.000 1.535 301 H HN 0.785 nan 8.280 nan 0.000 0.518 302 D N 5.543 125.938 120.400 -0.009 0.000 2.339 302 D HA 0.006 4.647 4.640 0.001 0.000 0.256 302 D C 1.166 177.296 176.300 -0.283 0.000 1.214 302 D CA -0.074 53.901 54.000 -0.043 0.000 0.877 302 D CB 1.019 41.911 40.800 0.153 0.000 1.111 302 D HN 0.674 nan 8.370 nan 0.000 0.478 303 L N 4.112 125.180 121.223 -0.258 0.000 2.313 303 L HA -0.102 4.239 4.340 0.001 0.000 0.214 303 L C 1.843 178.652 176.870 -0.103 0.000 1.119 303 L CA 0.120 54.803 54.840 -0.262 0.000 0.809 303 L CB -0.083 41.917 42.059 -0.098 0.000 0.933 303 L HN 0.497 nan 8.230 nan 0.000 0.449 304 I N -0.273 120.273 120.570 -0.040 0.000 2.270 304 I HA -0.148 4.022 4.170 0.001 0.000 0.239 304 I C 2.778 178.903 176.117 0.014 0.000 1.080 304 I CA 1.701 63.003 61.300 0.003 0.000 1.383 304 I CB -1.271 36.745 38.000 0.027 0.000 1.097 304 I HN 0.255 nan 8.210 nan 0.000 0.420 305 S N 0.414 116.134 115.700 0.033 0.000 2.436 305 S HA 0.087 4.558 4.470 0.001 0.000 0.228 305 S C 1.850 176.478 174.600 0.046 0.000 1.014 305 S CA 0.875 59.106 58.200 0.051 0.000 0.950 305 S CB -0.123 63.132 63.200 0.091 0.000 0.784 305 S HN 0.627 nan 8.310 nan 0.000 0.504 306 G N 0.931 109.756 108.800 0.041 0.000 2.176 306 G HA2 -0.191 3.770 3.960 0.001 0.000 0.253 306 G HA3 -0.191 3.770 3.960 0.001 0.000 0.253 306 G C -0.398 174.597 174.900 0.159 0.000 0.979 306 G CA 0.158 45.339 45.100 0.136 0.000 0.641 306 G HN 0.559 nan 8.290 nan 0.000 0.530 307 D N 0.474 120.903 120.400 0.047 0.000 2.341 307 D HA 0.532 5.173 4.640 0.001 0.000 0.245 307 D C 0.916 177.071 176.300 -0.241 0.000 1.106 307 D CA 0.095 53.996 54.000 -0.166 0.000 0.905 307 D CB 0.677 41.302 40.800 -0.290 0.000 1.202 307 D HN 0.367 nan 8.370 nan 0.000 0.426 308 R N 1.004 121.215 120.500 -0.481 0.000 2.589 308 R HA 0.632 4.973 4.340 0.001 0.000 0.293 308 R C -0.780 175.066 176.300 -0.756 0.000 0.963 308 R CA -0.659 55.189 56.100 -0.420 0.000 0.905 308 R CB 1.255 31.458 30.300 -0.161 0.000 1.144 308 R HN 0.291 nan 8.270 nan 0.000 0.459 309 F N -0.077 119.760 119.950 -0.188 0.000 2.645 309 F HA 0.311 4.838 4.527 0.001 0.000 0.310 309 F C -0.128 175.588 175.800 -0.140 0.000 1.102 309 F CA -1.022 56.905 58.000 -0.122 0.000 0.952 309 F CB 1.935 40.859 39.000 -0.127 0.000 1.326 309 F HN 0.153 nan 8.300 nan 0.000 0.456 310 E N 2.808 123.114 120.200 0.176 0.000 2.145 310 E HA 0.414 4.765 4.350 0.001 0.000 0.270 310 E C -0.907 175.757 176.600 0.107 0.000 0.906 310 E CA -0.438 56.036 56.400 0.122 0.000 0.761 310 E CB 2.179 31.958 29.700 0.133 0.000 1.116 310 E HN 0.301 nan 8.360 nan 0.000 0.408 311 I N 2.403 123.013 120.570 0.067 0.000 2.392 311 I HA 0.285 4.455 4.170 0.001 0.000 0.295 311 I C 0.327 176.563 176.117 0.199 0.000 0.985 311 I CA -0.870 60.490 61.300 0.100 0.000 1.221 311 I CB 1.306 39.300 38.000 -0.009 0.000 1.366 311 I HN 0.259 nan 8.210 nan 0.000 0.467 312 K N 4.577 125.100 120.400 0.205 0.000 2.182 312 K HA 0.829 5.149 4.320 0.001 0.000 0.262 312 K C -1.122 175.564 176.600 0.144 0.000 0.957 312 K CA -0.331 56.086 56.287 0.216 0.000 0.842 312 K CB 1.783 34.371 32.500 0.147 0.000 1.099 312 K HN 0.804 nan 8.250 nan 0.000 0.438 313 A N 2.762 125.584 122.820 0.003 0.000 2.587 313 A HA 0.367 4.687 4.320 0.001 0.000 0.293 313 A C -0.552 176.895 177.584 -0.229 0.000 1.087 313 A CA -0.697 51.199 52.037 -0.235 0.000 0.692 313 A CB 1.097 19.752 19.000 -0.575 0.000 1.291 313 A HN 0.774 nan 8.150 nan 0.000 0.407 314 D N -0.381 119.938 120.400 -0.134 0.000 2.149 314 D HA 0.089 4.730 4.640 0.001 0.000 0.201 314 D C 0.365 176.547 176.300 -0.197 0.000 0.972 314 D CA 1.753 55.736 54.000 -0.028 0.000 0.835 314 D CB 0.165 41.014 40.800 0.081 0.000 0.966 314 D HN 0.234 nan 8.370 nan 0.000 0.476 315 V N 0.527 120.171 119.914 -0.450 0.000 2.638 315 V HA 0.280 4.401 4.120 0.001 0.000 0.306 315 V C -1.289 174.517 176.094 -0.480 0.000 1.052 315 V CA -0.885 61.148 62.300 -0.445 0.000 0.885 315 V CB 1.896 33.327 31.823 -0.653 0.000 0.999 315 V HN -0.068 nan 8.190 nan 0.000 0.424 316 Y N 2.897 123.179 120.300 -0.031 0.000 2.328 316 Y HA 0.704 5.255 4.550 0.001 0.000 0.336 316 Y C -0.119 175.742 175.900 -0.064 0.000 0.960 316 Y CA -0.930 57.140 58.100 -0.050 0.000 1.134 316 Y CB 2.113 40.547 38.460 -0.042 0.000 1.166 316 Y HN 0.346 nan 8.280 nan 0.000 0.464 317 V N 5.483 125.357 119.914 -0.067 0.000 2.444 317 V HA 0.397 4.518 4.120 0.001 0.000 0.294 317 V C -0.496 175.466 176.094 -0.220 0.000 1.022 317 V CA -0.926 61.216 62.300 -0.264 0.000 0.850 317 V CB 1.719 33.160 31.823 -0.637 0.000 0.992 317 V HN 0.593 nan 8.190 nan 0.000 0.426 318 L N 5.170 126.262 121.223 -0.218 0.000 2.276 318 L HA 0.549 4.890 4.340 0.001 0.000 0.286 318 L C 0.353 177.121 176.870 -0.170 0.000 1.024 318 L CA -0.185 54.548 54.840 -0.179 0.000 0.826 318 L CB 1.487 43.422 42.059 -0.206 0.000 1.211 318 L HN 0.809 nan 8.230 nan 0.000 0.422 319 T N -1.590 112.899 114.554 -0.109 0.000 3.624 319 T HA 0.387 4.738 4.350 0.001 0.000 0.244 319 T C 0.652 175.358 174.700 0.010 0.000 1.063 319 T CA -0.137 61.942 62.100 -0.036 0.000 1.252 319 T CB 1.045 69.894 68.868 -0.030 0.000 1.021 319 T HN 0.533 nan 8.240 nan 0.000 0.590 320 A N 0.765 123.599 122.820 0.024 0.000 2.345 320 A HA 0.782 5.103 4.320 0.001 0.000 0.225 320 A C 1.374 179.034 177.584 0.128 0.000 1.243 320 A CA 0.088 52.160 52.037 0.059 0.000 0.875 320 A CB -0.636 18.393 19.000 0.048 0.000 0.929 320 A HN 1.725 nan 8.150 nan 0.000 0.502 321 G N -2.536 106.340 108.800 0.126 0.000 2.662 321 G HA2 0.279 4.240 3.960 0.001 0.000 0.686 321 G HA3 0.279 4.240 3.960 0.001 0.000 0.686 321 G C 0.727 175.732 174.900 0.175 0.000 1.271 321 G CA -0.292 44.893 45.100 0.142 0.000 0.816 321 G HN 1.262 nan 8.290 nan 0.000 0.608 322 A N -0.444 122.462 122.820 0.144 0.000 1.972 322 A HA 0.219 4.540 4.320 0.001 0.000 0.219 322 A C 2.600 180.268 177.584 0.139 0.000 1.169 322 A CA 3.193 55.308 52.037 0.130 0.000 0.635 322 A CB -0.296 18.751 19.000 0.079 0.000 0.810 322 A HN 1.569 nan 8.150 nan 0.000 0.446 323 V N -1.267 118.685 119.914 0.064 0.000 2.379 323 V HA -0.156 3.964 4.120 0.001 0.000 0.243 323 V C 2.175 178.291 176.094 0.036 0.000 1.035 323 V CA 2.013 64.312 62.300 -0.001 0.000 1.035 323 V CB -0.925 30.769 31.823 -0.215 0.000 0.673 323 V HN 0.730 nan 8.190 nan 0.000 0.457 324 H N -0.366 118.774 119.070 0.115 0.000 2.512 324 H HA 0.002 4.559 4.556 0.001 0.000 0.279 324 H C 2.251 177.577 175.328 -0.003 0.000 0.999 324 H CA 0.788 56.862 56.048 0.043 0.000 1.283 324 H CB 0.186 29.954 29.762 0.009 0.000 1.421 324 H HN 0.314 nan 8.280 nan 0.000 0.554 325 N N -0.016 118.766 118.700 0.137 0.000 2.069 325 N HA -0.130 4.610 4.740 0.001 0.000 0.191 325 N C 1.788 177.293 175.510 -0.008 0.000 1.031 325 N CA 1.875 54.937 53.050 0.019 0.000 0.852 325 N CB -0.564 37.912 38.487 -0.018 0.000 1.018 325 N HN 0.309 nan 8.380 nan 0.000 0.423 326 T N 0.821 115.448 114.554 0.122 0.000 2.720 326 T HA -0.191 4.159 4.350 0.001 0.000 0.268 326 T C 1.844 176.438 174.700 -0.177 0.000 1.037 326 T CA 1.240 63.410 62.100 0.117 0.000 1.144 326 T CB -0.246 68.825 68.868 0.339 0.000 0.864 326 T HN 0.371 nan 8.240 nan 0.000 0.444 327 Q N 0.076 119.672 119.800 -0.340 0.000 2.084 327 Q HA -0.110 4.231 4.340 0.001 0.000 0.202 327 Q C 2.299 178.048 176.000 -0.419 0.000 0.978 327 Q CA 1.094 56.385 55.803 -0.854 0.000 0.844 327 Q CB -0.232 28.290 28.738 -0.361 0.000 0.898 327 Q HN 0.349 nan 8.270 nan 0.000 0.426 328 L N 0.641 121.745 121.223 -0.198 0.000 2.046 328 L HA -0.134 4.207 4.340 0.001 0.000 0.208 328 L C 2.026 178.824 176.870 -0.120 0.000 1.077 328 L CA 1.541 56.301 54.840 -0.134 0.000 0.747 328 L CB -0.651 41.347 42.059 -0.103 0.000 0.896 328 L HN 0.310 nan 8.230 nan 0.000 0.432 329 L N -1.918 119.219 121.223 -0.143 0.000 2.017 329 L HA -0.204 4.136 4.340 0.001 0.000 0.208 329 L C 2.426 179.337 176.870 0.069 0.000 1.073 329 L CA 1.007 55.797 54.840 -0.083 0.000 0.745 329 L CB -0.658 41.254 42.059 -0.244 0.000 0.894 329 L HN 0.067 nan 8.230 nan 0.000 0.432 330 V N -0.091 119.789 119.914 -0.056 0.000 2.407 330 V HA -0.270 3.850 4.120 0.001 0.000 0.248 330 V C 2.144 178.215 176.094 -0.037 0.000 1.055 330 V CA 1.958 64.242 62.300 -0.025 0.000 1.049 330 V CB -0.711 31.053 31.823 -0.098 0.000 0.662 330 V HN 0.482 nan 8.190 nan 0.000 0.455 331 N N 0.156 118.795 118.700 -0.102 0.000 2.364 331 N HA -0.117 4.623 4.740 0.001 0.000 0.183 331 N C 1.578 177.068 175.510 -0.034 0.000 1.022 331 N CA 1.328 54.339 53.050 -0.067 0.000 0.883 331 N CB -0.078 38.359 38.487 -0.082 0.000 0.965 331 N HN 0.407 nan 8.380 nan 0.000 0.438 332 S N -1.582 114.120 115.700 0.004 0.000 2.556 332 S HA 0.319 4.790 4.470 0.001 0.000 0.216 332 S C 1.081 175.649 174.600 -0.054 0.000 0.970 332 S CA 0.284 58.492 58.200 0.014 0.000 0.912 332 S CB 0.519 63.785 63.200 0.110 0.000 0.790 332 S HN 0.549 nan 8.310 nan 0.000 0.504 333 G N 1.127 109.899 108.800 -0.047 0.000 2.157 333 G HA2 -0.235 3.726 3.960 0.001 0.000 0.239 333 G HA3 -0.235 3.726 3.960 0.001 0.000 0.239 333 G C -0.056 174.729 174.900 -0.191 0.000 0.982 333 G CA -0.487 44.537 45.100 -0.127 0.000 0.650 333 G HN 0.424 nan 8.290 nan 0.000 0.527 334 F N 0.884 120.806 119.950 -0.046 0.000 2.382 334 F HA 0.534 5.062 4.527 0.001 0.000 0.331 334 F C 1.684 177.495 175.800 0.018 0.000 1.121 334 F CA 0.916 58.903 58.000 -0.021 0.000 1.183 334 F CB 0.739 39.700 39.000 -0.065 0.000 1.207 334 F HN 0.722 nan 8.300 nan 0.000 0.555 335 G N 1.704 110.652 108.800 0.247 0.000 2.594 335 G HA2 -0.309 3.651 3.960 0.001 0.000 0.297 335 G HA3 -0.309 3.651 3.960 0.001 0.000 0.297 335 G C -0.693 174.283 174.900 0.126 0.000 1.273 335 G CA 0.067 45.275 45.100 0.179 0.000 0.974 335 G HN 0.815 nan 8.290 nan 0.000 0.552 336 Q N -1.083 118.798 119.800 0.135 0.000 2.304 336 Q HA 0.622 4.963 4.340 0.001 0.000 0.270 336 Q C -0.886 175.201 176.000 0.145 0.000 1.035 336 Q CA -0.984 54.880 55.803 0.101 0.000 0.781 336 Q CB 1.694 30.471 28.738 0.065 0.000 1.261 336 Q HN 0.748 nan 8.270 nan 0.000 0.444 337 L N 3.616 124.912 121.223 0.122 0.000 2.371 337 L HA 0.727 5.068 4.340 0.001 0.000 0.272 337 L C 0.321 177.278 176.870 0.144 0.000 1.124 337 L CA 1.753 56.692 54.840 0.166 0.000 0.816 337 L CB 0.984 43.113 42.059 0.116 0.000 1.129 337 L HN 0.829 nan 8.230 nan 0.000 0.448 338 G N 3.620 112.564 108.800 0.240 0.000 2.710 338 G HA2 -0.205 3.756 3.960 0.001 0.000 0.668 338 G HA3 -0.205 3.756 3.960 0.001 0.000 0.668 338 G C -0.550 174.250 174.900 -0.167 0.000 1.320 338 G CA -0.302 44.893 45.100 0.160 0.000 0.860 338 G HN 0.897 nan 8.290 nan 0.000 0.538 339 R N 0.759 120.922 120.500 -0.562 0.000 2.538 339 R HA 0.342 4.683 4.340 0.001 0.000 0.282 339 R C -1.884 173.969 176.300 -0.745 0.000 1.009 339 R CA -0.568 54.745 56.100 -1.312 0.000 1.063 339 R CB -0.022 29.805 30.300 -0.787 0.000 0.945 339 R HN 0.343 nan 8.270 nan 0.000 0.414 340 P HA -0.079 nan 4.420 nan 0.000 0.262 340 P C -1.258 175.883 177.300 -0.265 0.000 1.182 340 P CA 0.522 63.384 63.100 -0.396 0.000 0.761 340 P CB 0.347 31.835 31.700 -0.352 0.000 0.795 341 N N 3.653 122.256 118.700 -0.162 0.000 2.648 341 N HA 0.208 4.949 4.740 0.001 0.000 0.261 341 N C -2.026 173.443 175.510 -0.069 0.000 1.138 341 N CA -1.850 51.133 53.050 -0.111 0.000 0.804 341 N CB 1.152 39.581 38.487 -0.097 0.000 1.237 341 N HN 0.070 nan 8.380 nan 0.000 0.532 342 P HA -0.074 nan 4.420 nan 0.000 0.219 342 P C 1.083 178.367 177.300 -0.026 0.000 1.146 342 P CA 0.739 63.817 63.100 -0.037 0.000 0.808 342 P CB 0.255 31.934 31.700 -0.036 0.000 0.779 343 A N -0.994 121.808 122.820 -0.031 0.000 2.070 343 A HA -0.145 4.176 4.320 0.001 0.000 0.220 343 A C 1.519 179.092 177.584 -0.019 0.000 1.159 343 A CA 1.293 53.316 52.037 -0.023 0.000 0.656 343 A CB -0.855 18.129 19.000 -0.025 0.000 0.800 343 A HN 0.135 nan 8.150 nan 0.000 0.453 344 N N -0.057 118.630 118.700 -0.022 0.000 2.844 344 N HA 0.284 5.025 4.740 0.001 0.000 0.268 344 N C -3.321 172.183 175.510 -0.010 0.000 1.574 344 N CA -1.649 51.391 53.050 -0.016 0.000 0.838 344 N CB 0.822 39.295 38.487 -0.023 0.000 1.177 344 N HN 0.045 nan 8.380 nan 0.000 0.495 345 P HA 0.306 nan 4.420 nan 0.000 0.275 345 P C -2.478 174.833 177.300 0.018 0.000 1.227 345 P CA -0.937 62.169 63.100 0.010 0.000 0.781 345 P CB 0.097 31.805 31.700 0.014 0.000 0.906 346 P HA 0.095 nan 4.420 nan 0.000 0.271 346 P C 0.744 178.067 177.300 0.040 0.000 1.218 346 P CA -0.052 63.071 63.100 0.039 0.000 0.780 346 P CB 1.086 32.825 31.700 0.065 0.000 0.901 347 E N 1.053 121.269 120.200 0.025 0.000 2.106 347 E HA -0.056 4.295 4.350 0.001 0.000 0.192 347 E C 0.030 176.659 176.600 0.048 0.000 0.984 347 E CA 0.768 57.181 56.400 0.022 0.000 0.806 347 E CB 0.082 29.780 29.700 -0.003 0.000 0.750 347 E HN 0.421 nan 8.360 nan 0.000 0.458 348 L N 0.740 122.003 121.223 0.067 0.000 2.362 348 L HA 0.302 4.643 4.340 0.001 0.000 0.271 348 L C -0.034 176.965 176.870 0.216 0.000 1.002 348 L CA -0.875 54.052 54.840 0.144 0.000 0.818 348 L CB 1.976 44.089 42.059 0.089 0.000 1.298 348 L HN 0.066 nan 8.230 nan 0.000 0.420 349 L N 3.056 124.431 121.223 0.253 0.000 3.823 349 L HA -0.178 4.162 4.340 0.001 0.000 0.525 349 L C -1.391 175.593 176.870 0.191 0.000 1.247 349 L CA -0.473 54.514 54.840 0.244 0.000 0.776 349 L CB -0.823 41.410 42.059 0.291 0.000 1.443 349 L HN 0.606 nan 8.230 nan 0.000 0.831 350 P HA -0.132 nan 4.420 nan 0.000 0.221 350 P C 1.229 178.626 177.300 0.162 0.000 1.145 350 P CA 1.151 64.330 63.100 0.131 0.000 0.795 350 P CB 0.306 32.064 31.700 0.096 0.000 0.775 351 S N -0.671 115.143 115.700 0.191 0.000 2.558 351 S HA 0.060 4.531 4.470 0.001 0.000 0.217 351 S C 0.858 175.617 174.600 0.264 0.000 0.975 351 S CA -0.410 57.949 58.200 0.265 0.000 0.912 351 S CB -0.664 62.682 63.200 0.243 0.000 0.776 351 S HN 0.074 nan 8.310 nan 0.000 0.526 352 L N 2.360 123.717 121.223 0.223 0.000 2.540 352 L HA 0.397 4.738 4.340 0.001 0.000 0.276 352 L C 1.194 178.205 176.870 0.235 0.000 1.212 352 L CA 1.182 56.156 54.840 0.224 0.000 0.893 352 L CB -0.354 41.826 42.059 0.201 0.000 1.138 352 L HN 0.344 nan 8.230 nan 0.000 0.491 353 G N 2.419 111.365 108.800 0.244 0.000 2.184 353 G HA2 -0.274 3.686 3.960 0.001 0.000 0.264 353 G HA3 -0.274 3.686 3.960 0.001 0.000 0.264 353 G C 0.430 175.451 174.900 0.202 0.000 0.975 353 G CA 0.395 45.635 45.100 0.235 0.000 0.642 353 G HN 0.840 nan 8.290 nan 0.000 0.536 354 S N -1.428 114.397 115.700 0.208 0.000 2.718 354 S HA 0.648 5.119 4.470 0.001 0.000 0.300 354 S C 0.367 175.115 174.600 0.246 0.000 1.117 354 S CA 0.093 58.357 58.200 0.105 0.000 1.002 354 S CB 0.944 64.115 63.200 -0.049 0.000 1.092 354 S HN 0.920 nan 8.310 nan 0.000 0.542 355 Y N -1.018 119.350 120.300 0.114 0.000 4.272 355 Y HA -0.203 4.348 4.550 0.001 0.000 0.232 355 Y C 0.536 176.519 175.900 0.137 0.000 1.149 355 Y CA 0.185 58.351 58.100 0.109 0.000 1.961 355 Y CB -2.216 36.304 38.460 0.099 0.000 1.611 355 Y HN 0.628 nan 8.280 nan 0.000 0.682 356 I N -0.016 120.704 120.570 0.250 0.000 2.754 356 I HA 0.454 4.625 4.170 0.001 0.000 0.285 356 I C 0.684 176.974 176.117 0.288 0.000 1.166 356 I CA 0.488 61.941 61.300 0.255 0.000 1.417 356 I CB 1.248 39.400 38.000 0.253 0.000 1.382 356 I HN 0.217 nan 8.210 nan 0.000 0.588 357 T N 1.808 116.498 114.554 0.226 0.000 2.876 357 T HA 0.692 5.043 4.350 0.001 0.000 0.289 357 T C -0.696 174.048 174.700 0.073 0.000 1.014 357 T CA -0.684 61.536 62.100 0.200 0.000 0.986 357 T CB 2.116 71.049 68.868 0.108 0.000 1.021 357 T HN 0.847 nan 8.240 nan 0.000 0.458 358 E N 1.155 121.387 120.200 0.054 0.000 2.356 358 E HA 0.366 4.717 4.350 0.001 0.000 0.275 358 E C -1.175 175.545 176.600 0.201 0.000 0.904 358 E CA -0.568 55.816 56.400 -0.026 0.000 0.757 358 E CB 2.084 31.563 29.700 -0.368 0.000 1.232 358 E HN 0.723 nan 8.360 nan 0.000 0.442 359 Q N 1.044 120.967 119.800 0.204 0.000 2.293 359 Q HA 0.468 4.809 4.340 0.001 0.000 0.251 359 Q C -0.429 175.768 176.000 0.327 0.000 0.930 359 Q CA -0.481 55.490 55.803 0.280 0.000 0.893 359 Q CB 1.332 30.269 28.738 0.333 0.000 1.215 359 Q HN 0.462 nan 8.270 nan 0.000 0.425 360 S N 1.471 117.288 115.700 0.195 0.000 2.576 360 S HA 0.330 4.801 4.470 0.001 0.000 0.276 360 S C -0.698 173.951 174.600 0.080 0.000 1.339 360 S CA -0.443 57.749 58.200 -0.014 0.000 1.039 360 S CB 0.376 63.480 63.200 -0.160 0.000 0.902 360 S HN 0.383 nan 8.310 nan 0.000 0.516 361 L N 4.427 125.664 121.223 0.024 0.000 2.439 361 L HA 0.696 5.036 4.340 0.001 0.000 0.270 361 L C -0.794 175.932 176.870 -0.240 0.000 0.972 361 L CA -0.663 54.083 54.840 -0.156 0.000 0.836 361 L CB 1.567 43.508 42.059 -0.196 0.000 1.255 361 L HN 0.467 nan 8.230 nan 0.000 0.404 362 V N 2.060 121.746 119.914 -0.380 0.000 2.769 362 V HA 0.768 4.888 4.120 0.001 0.000 0.312 362 V C -0.945 174.997 176.094 -0.253 0.000 1.058 362 V CA -0.673 61.322 62.300 -0.508 0.000 0.952 362 V CB 1.686 33.012 31.823 -0.828 0.000 1.019 362 V HN 0.836 nan 8.190 nan 0.000 0.445 363 F N 4.172 123.896 119.950 -0.377 0.000 2.608 363 F HA 0.845 5.373 4.527 0.001 0.000 0.309 363 F C -0.433 175.227 175.800 -0.233 0.000 1.103 363 F CA -0.156 57.705 58.000 -0.231 0.000 0.954 363 F CB 1.500 40.411 39.000 -0.149 0.000 1.267 363 F HN 1.208 nan 8.300 nan 0.000 0.444 364 C N 2.733 121.363 119.300 -1.116 0.000 3.320 364 C HA 0.804 5.265 4.460 0.001 0.000 0.335 364 C C -1.665 172.716 174.990 -1.015 0.000 1.430 364 C CA -0.681 57.688 59.018 -1.083 0.000 1.271 364 C CB 1.687 29.040 27.740 -0.644 0.000 1.609 364 C HN 0.980 nan 8.230 nan 0.000 0.457 365 Q N 0.532 119.997 119.800 -0.558 0.000 2.387 365 Q HA 0.774 5.114 4.340 0.001 0.000 0.273 365 Q C -0.474 175.544 176.000 0.030 0.000 1.089 365 Q CA -0.234 55.469 55.803 -0.165 0.000 0.824 365 Q CB 2.697 31.321 28.738 -0.190 0.000 1.367 365 Q HN 0.943 nan 8.270 nan 0.000 0.443 366 T N -2.604 112.047 114.554 0.162 0.000 2.924 366 T HA 0.704 5.055 4.350 0.001 0.000 0.291 366 T C -0.595 174.157 174.700 0.086 0.000 1.045 366 T CA -0.727 61.442 62.100 0.115 0.000 1.015 366 T CB 1.240 70.195 68.868 0.146 0.000 1.103 366 T HN 0.258 nan 8.240 nan 0.000 0.496 367 V N 2.666 122.599 119.914 0.032 0.000 2.357 367 V HA 0.395 4.516 4.120 0.001 0.000 0.284 367 V C 0.290 176.390 176.094 0.010 0.000 1.018 367 V CA -0.894 61.417 62.300 0.018 0.000 0.841 367 V CB 1.097 32.921 31.823 0.002 0.000 0.991 367 V HN 1.032 nan 8.190 nan 0.000 0.437 368 M N 4.765 124.379 119.600 0.023 0.000 2.245 368 M HA 0.077 4.558 4.480 0.001 0.000 0.335 368 M C 0.907 177.209 176.300 0.004 0.000 1.155 368 M CA 0.746 56.062 55.300 0.025 0.000 1.055 368 M CB 0.619 33.233 32.600 0.023 0.000 1.670 368 M HN 0.921 nan 8.290 nan 0.000 0.447 369 S N 2.500 118.200 115.700 0.000 0.000 2.568 369 S HA 0.070 4.541 4.470 0.001 0.000 0.282 369 S C 0.980 175.579 174.600 -0.002 0.000 1.338 369 S CA -0.116 58.076 58.200 -0.014 0.000 1.045 369 S CB 0.586 63.773 63.200 -0.021 0.000 0.873 369 S HN 0.812 nan 8.310 nan 0.000 0.516 370 T N 2.190 116.740 114.554 -0.008 0.000 2.720 370 T HA -0.150 4.200 4.350 0.001 0.000 0.268 370 T C 1.635 176.340 174.700 0.008 0.000 1.037 370 T CA 1.922 64.023 62.100 0.001 0.000 1.144 370 T CB -0.529 68.337 68.868 -0.004 0.000 0.864 370 T HN 0.781 nan 8.240 nan 0.000 0.444 371 E N 0.611 120.812 120.200 0.002 0.000 2.070 371 E HA -0.120 4.231 4.350 0.001 0.000 0.197 371 E C 2.258 178.873 176.600 0.024 0.000 1.004 371 E CA 1.048 57.452 56.400 0.007 0.000 0.805 371 E CB -0.312 29.384 29.700 -0.005 0.000 0.744 371 E HN 0.430 nan 8.360 nan 0.000 0.451 372 L N 0.652 121.892 121.223 0.028 0.000 2.056 372 L HA -0.171 4.170 4.340 0.001 0.000 0.207 372 L C 2.434 179.342 176.870 0.064 0.000 1.078 372 L CA 0.425 55.297 54.840 0.052 0.000 0.749 372 L CB -0.218 41.871 42.059 0.050 0.000 0.901 372 L HN 0.201 nan 8.230 nan 0.000 0.433 373 I N -0.060 120.535 120.570 0.041 0.000 2.226 373 I HA -0.275 3.896 4.170 0.001 0.000 0.245 373 I C 2.090 178.238 176.117 0.051 0.000 1.100 373 I CA 1.497 62.818 61.300 0.036 0.000 1.374 373 I CB -1.023 36.988 38.000 0.018 0.000 1.057 373 I HN 0.282 nan 8.210 nan 0.000 0.413 374 D N 0.555 120.985 120.400 0.049 0.000 2.144 374 D HA -0.125 4.516 4.640 0.001 0.000 0.200 374 D C 2.370 178.717 176.300 0.079 0.000 0.978 374 D CA 1.560 55.593 54.000 0.054 0.000 0.833 374 D CB -0.071 40.752 40.800 0.038 0.000 0.961 374 D HN 0.349 nan 8.370 nan 0.000 0.470 375 S N 0.087 115.842 115.700 0.093 0.000 2.419 375 S HA -0.131 4.340 4.470 0.001 0.000 0.233 375 S C 2.175 176.932 174.600 0.261 0.000 1.016 375 S CA 0.867 59.154 58.200 0.145 0.000 0.974 375 S CB -0.590 62.686 63.200 0.127 0.000 0.786 375 S HN 0.081 nan 8.310 nan 0.000 0.492 376 V N 3.023 123.065 119.914 0.214 0.000 2.469 376 V HA -0.178 3.943 4.120 0.001 0.000 0.251 376 V C 2.199 178.440 176.094 0.247 0.000 1.064 376 V CA 2.183 64.636 62.300 0.255 0.000 1.066 376 V CB -0.855 31.024 31.823 0.094 0.000 0.667 376 V HN 0.832 nan 8.190 nan 0.000 0.461 377 K N 0.184 120.682 120.400 0.164 0.000 2.498 377 K HA 0.187 4.508 4.320 0.001 0.000 0.207 377 K C 1.574 178.238 176.600 0.105 0.000 1.033 377 K CA 0.671 57.034 56.287 0.127 0.000 1.138 377 K CB 0.219 32.775 32.500 0.092 0.000 0.860 377 K HN 0.415 nan 8.250 nan 0.000 0.490 378 S N 0.834 116.609 115.700 0.126 0.000 2.419 378 S HA -0.163 4.308 4.470 0.001 0.000 0.235 378 S C 0.975 175.582 174.600 0.010 0.000 1.019 378 S CA 1.267 59.497 58.200 0.051 0.000 0.982 378 S CB -0.234 62.969 63.200 0.005 0.000 0.789 378 S HN 0.305 nan 8.310 nan 0.000 0.490 379 D N 0.709 121.123 120.400 0.024 0.000 2.339 379 D HA 0.219 4.860 4.640 0.001 0.000 0.217 379 D C 0.179 176.513 176.300 0.055 0.000 1.050 379 D CA 0.254 54.255 54.000 0.002 0.000 0.856 379 D CB -0.026 40.749 40.800 -0.042 0.000 0.922 379 D HN 0.375 nan 8.370 nan 0.000 0.518 380 M N 0.463 120.099 119.600 0.059 0.000 2.235 380 M HA 0.183 4.664 4.480 0.001 0.000 0.351 380 M C 0.363 176.689 176.300 0.042 0.000 1.178 380 M CA 0.178 55.521 55.300 0.072 0.000 1.143 380 M CB 0.922 33.559 32.600 0.061 0.000 1.530 380 M HN -0.340 nan 8.290 nan 0.000 0.461 381 T N 4.401 118.975 114.554 0.032 0.000 2.743 381 T HA 0.634 4.985 4.350 0.001 0.000 0.292 381 T C -0.086 174.591 174.700 -0.039 0.000 0.972 381 T CA -0.316 61.783 62.100 -0.001 0.000 0.967 381 T CB 0.208 69.073 68.868 -0.005 0.000 0.926 381 T HN 0.406 nan 8.240 nan 0.000 0.459 382 I N 4.006 124.553 120.570 -0.038 0.000 2.355 382 I HA 0.432 4.603 4.170 0.001 0.000 0.288 382 I C 0.355 176.440 176.117 -0.053 0.000 0.999 382 I CA -0.657 60.593 61.300 -0.085 0.000 1.163 382 I CB 1.033 39.024 38.000 -0.016 0.000 1.316 382 I HN 0.245 nan 8.210 nan 0.000 0.454 383 R N 5.908 126.346 120.500 -0.105 0.000 2.338 383 R HA 0.707 5.048 4.340 0.001 0.000 0.317 383 R C 0.194 176.509 176.300 0.025 0.000 0.968 383 R CA 0.351 56.429 56.100 -0.036 0.000 0.849 383 R CB 1.276 31.546 30.300 -0.050 0.000 1.128 383 R HN 0.865 nan 8.270 nan 0.000 0.448 384 G N 2.291 111.146 108.800 0.093 0.000 2.568 384 G HA2 -0.267 3.694 3.960 0.001 0.000 0.222 384 G HA3 -0.267 3.694 3.960 0.001 0.000 0.222 384 G C -0.980 174.073 174.900 0.254 0.000 1.321 384 G CA -0.151 45.040 45.100 0.152 0.000 0.893 384 G HN 0.808 nan 8.290 nan 0.000 0.569 385 T N -0.584 114.104 114.554 0.223 0.000 2.848 385 T HA 0.689 5.040 4.350 0.001 0.000 0.285 385 T C -3.005 171.590 174.700 -0.175 0.000 0.995 385 T CA -1.366 60.776 62.100 0.069 0.000 0.970 385 T CB 2.543 71.420 68.868 0.015 0.000 0.976 385 T HN 0.537 nan 8.240 nan 0.000 0.441 386 P HA 0.322 nan 4.420 nan 0.000 0.266 386 P C 1.257 178.315 177.300 -0.404 0.000 1.195 386 P CA 1.109 63.593 63.100 -1.027 0.000 0.768 386 P CB 0.330 31.518 31.700 -0.854 0.000 0.838 387 G N 1.496 110.124 108.800 -0.286 0.000 2.258 387 G HA2 -0.211 3.750 3.960 0.001 0.000 0.233 387 G HA3 -0.211 3.750 3.960 0.001 0.000 0.233 387 G C 0.142 175.009 174.900 -0.055 0.000 1.006 387 G CA -0.187 44.840 45.100 -0.122 0.000 0.620 387 G HN 0.548 nan 8.290 nan 0.000 0.511 388 E N -0.424 119.752 120.200 -0.040 0.000 2.351 388 E HA 0.609 4.960 4.350 0.001 0.000 0.255 388 E C 1.287 177.915 176.600 0.047 0.000 1.188 388 E CA -0.793 55.613 56.400 0.010 0.000 0.940 388 E CB 0.861 30.574 29.700 0.021 0.000 1.094 388 E HN 0.040 nan 8.360 nan 0.000 0.474 389 L N 0.770 122.016 121.223 0.040 0.000 2.093 389 L HA -0.144 4.196 4.340 0.001 0.000 0.208 389 L C 2.076 178.981 176.870 0.058 0.000 1.085 389 L CA 2.000 56.864 54.840 0.041 0.000 0.755 389 L CB -0.454 41.621 42.059 0.026 0.000 0.904 389 L HN 0.707 nan 8.230 nan 0.000 0.435 390 T N -4.352 110.244 114.554 0.070 0.000 3.107 390 T HA -0.003 4.348 4.350 0.001 0.000 0.249 390 T C 0.554 175.317 174.700 0.105 0.000 1.096 390 T CA -0.371 61.770 62.100 0.068 0.000 1.012 390 T CB -0.624 68.273 68.868 0.049 0.000 0.977 390 T HN 0.055 nan 8.240 nan 0.000 0.527 391 Y N 3.271 123.571 120.300 -0.001 0.000 2.810 391 Y HA 0.341 4.892 4.550 0.001 0.000 0.332 391 Y C 0.327 176.228 175.900 0.002 0.000 1.243 391 Y CA -0.381 57.720 58.100 0.001 0.000 1.537 391 Y CB 0.192 38.651 38.460 -0.001 0.000 1.265 391 Y HN 0.191 nan 8.280 nan 0.000 0.572 392 S N 5.226 120.676 115.700 -0.416 0.000 2.571 392 S HA 0.718 5.189 4.470 0.001 0.000 0.284 392 S C -1.955 172.353 174.600 -0.486 0.000 1.128 392 S CA -0.730 57.265 58.200 -0.341 0.000 0.970 392 S CB 0.887 63.992 63.200 -0.158 0.000 1.039 392 S HN 0.465 nan 8.310 nan 0.000 0.485 393 V N 4.793 124.497 119.914 -0.350 0.000 2.376 393 V HA 0.697 4.818 4.120 0.001 0.000 0.287 393 V C 0.005 176.061 176.094 -0.065 0.000 1.015 393 V CA -0.384 61.785 62.300 -0.219 0.000 0.834 393 V CB 1.252 32.973 31.823 -0.170 0.000 1.001 393 V HN 1.041 nan 8.190 nan 0.000 0.428 394 T N 1.939 116.481 114.554 -0.019 0.000 2.896 394 T HA 0.861 5.211 4.350 0.001 0.000 0.297 394 T C -1.017 173.756 174.700 0.122 0.000 1.108 394 T CA -0.745 61.367 62.100 0.020 0.000 1.004 394 T CB 2.321 71.157 68.868 -0.053 0.000 1.159 394 T HN 0.742 nan 8.240 nan 0.000 0.499 395 Y N -1.543 118.745 120.300 -0.020 0.000 2.609 395 Y HA 0.774 5.324 4.550 0.001 0.000 0.342 395 Y C -0.784 175.107 175.900 -0.016 0.000 1.058 395 Y CA -1.296 56.794 58.100 -0.016 0.000 1.055 395 Y CB 0.957 39.415 38.460 -0.004 0.000 1.292 395 Y HN 0.630 nan 8.280 nan 0.000 0.476 396 T N 4.600 119.152 114.554 -0.004 0.000 2.762 396 T HA 0.374 4.725 4.350 0.001 0.000 0.303 396 T C -2.721 171.987 174.700 0.014 0.000 0.977 396 T CA -1.266 60.785 62.100 -0.081 0.000 0.961 396 T CB 0.458 69.315 68.868 -0.018 0.000 0.944 396 T HN 0.372 nan 8.240 nan 0.000 0.481 397 P HA 0.199 nan 4.420 nan 0.000 0.267 397 P C 1.191 178.532 177.300 0.067 0.000 1.200 397 P CA 0.580 63.734 63.100 0.089 0.000 0.772 397 P CB 0.345 32.044 31.700 -0.000 0.000 0.855 398 G N 1.424 110.278 108.800 0.090 0.000 2.196 398 G HA2 -0.286 3.675 3.960 0.001 0.000 0.268 398 G HA3 -0.286 3.675 3.960 0.001 0.000 0.268 398 G C 0.523 175.437 174.900 0.023 0.000 0.975 398 G CA 0.218 45.345 45.100 0.045 0.000 0.648 398 G HN 0.887 nan 8.290 nan 0.000 0.538 399 A N 0.505 123.341 122.820 0.027 0.000 2.546 399 A HA 0.584 4.905 4.320 0.001 0.000 0.243 399 A C 1.713 179.288 177.584 -0.015 0.000 1.063 399 A CA 1.362 53.402 52.037 0.005 0.000 0.757 399 A CB 0.289 19.294 19.000 0.009 0.000 0.991 399 A HN 1.743 nan 8.150 nan 0.000 0.503 400 S N 1.299 116.986 115.700 -0.022 0.000 2.522 400 S HA -0.110 4.361 4.470 0.001 0.000 0.227 400 S C 1.379 175.948 174.600 -0.051 0.000 0.986 400 S CA 1.280 59.461 58.200 -0.033 0.000 0.929 400 S CB -0.674 62.511 63.200 -0.025 0.000 0.769 400 S HN 1.110 nan 8.310 nan 0.000 0.529 401 T N -0.666 113.858 114.554 -0.050 0.000 3.113 401 T HA 0.173 4.524 4.350 0.001 0.000 0.256 401 T C 0.448 175.089 174.700 -0.098 0.000 1.131 401 T CA -0.341 61.719 62.100 -0.066 0.000 1.074 401 T CB -0.650 68.188 68.868 -0.050 0.000 0.944 401 T HN 0.223 nan 8.240 nan 0.000 0.516 402 N N 2.293 120.935 118.700 -0.098 0.000 2.454 402 N HA 0.195 4.936 4.740 0.001 0.000 0.260 402 N C 0.783 176.136 175.510 -0.261 0.000 1.218 402 N CA -0.038 52.920 53.050 -0.154 0.000 0.904 402 N CB 1.063 39.484 38.487 -0.111 0.000 1.065 402 N HN 0.164 nan 8.380 nan 0.000 0.462 403 K N 1.095 121.243 120.400 -0.420 0.000 2.228 403 K HA 0.049 4.370 4.320 0.001 0.000 0.202 403 K C -0.016 176.041 176.600 -0.905 0.000 1.051 403 K CA 1.087 56.971 56.287 -0.672 0.000 0.960 403 K CB 0.068 32.032 32.500 -0.894 0.000 0.743 403 K HN 0.560 nan 8.250 nan 0.000 0.458 404 H N -0.754 117.999 119.070 -0.528 0.000 2.679 404 H HA 0.318 4.875 4.556 0.001 0.000 0.367 404 H C -2.416 172.586 175.328 -0.544 0.000 1.162 404 H CA -2.926 52.641 56.048 -0.802 0.000 1.181 404 H CB 1.101 29.968 29.762 -1.491 0.000 1.693 404 H HN -0.144 nan 8.280 nan 0.000 0.538 405 P HA -0.011 nan 4.420 nan 0.000 0.271 405 P C 0.333 177.424 177.300 -0.348 0.000 1.233 405 P CA -0.187 62.715 63.100 -0.329 0.000 0.789 405 P CB 1.308 32.783 31.700 -0.375 0.000 0.951 406 D N 0.282 120.614 120.400 -0.113 0.000 2.144 406 D HA -0.128 4.513 4.640 0.001 0.000 0.199 406 D C 1.957 178.270 176.300 0.022 0.000 0.984 406 D CA 1.229 55.237 54.000 0.013 0.000 0.834 406 D CB -0.502 40.406 40.800 0.180 0.000 0.955 406 D HN 0.610 nan 8.370 nan 0.000 0.465 407 W N 0.330 121.703 121.300 0.121 0.000 2.363 407 W HA -0.150 4.511 4.660 0.001 0.000 0.296 407 W C 1.959 178.552 176.519 0.122 0.000 1.212 407 W CA 0.184 57.595 57.345 0.110 0.000 1.260 407 W CB -1.398 28.120 29.460 0.097 0.000 1.131 407 W HN 0.055 nan 8.180 nan 0.000 0.530 408 W N 3.415 124.230 121.300 -0.809 0.000 2.380 408 W HA -0.164 4.497 4.660 0.001 0.000 0.317 408 W C 1.922 178.172 176.519 -0.449 0.000 1.196 408 W CA 1.728 58.600 57.345 -0.787 0.000 1.307 408 W CB -1.087 27.650 29.460 -1.204 0.000 1.157 408 W HN -0.125 nan 8.180 nan 0.000 0.483 409 N N 1.005 119.622 118.700 -0.138 0.000 2.205 409 N HA -0.206 4.534 4.740 0.001 0.000 0.186 409 N C 1.502 176.743 175.510 -0.449 0.000 1.015 409 N CA 1.942 54.712 53.050 -0.467 0.000 0.862 409 N CB -0.595 37.201 38.487 -1.151 0.000 0.986 409 N HN 0.249 nan 8.380 nan 0.000 0.429 410 E N 1.294 121.387 120.200 -0.178 0.000 2.047 410 E HA -0.047 4.303 4.350 0.001 0.000 0.191 410 E C 1.624 178.279 176.600 0.091 0.000 0.987 410 E CA 1.277 57.747 56.400 0.117 0.000 0.799 410 E CB 0.043 29.870 29.700 0.213 0.000 0.752 410 E HN 0.250 nan 8.360 nan 0.000 0.449 411 K N -0.462 119.973 120.400 0.059 0.000 2.063 411 K HA -0.109 4.211 4.320 0.001 0.000 0.208 411 K C 2.108 178.712 176.600 0.007 0.000 1.048 411 K CA 1.478 57.787 56.287 0.037 0.000 0.928 411 K CB -0.173 32.331 32.500 0.007 0.000 0.713 411 K HN 0.022 nan 8.250 nan 0.000 0.442 412 V N 2.112 121.997 119.914 -0.047 0.000 2.307 412 V HA -0.261 3.859 4.120 0.001 0.000 0.245 412 V C 2.411 178.543 176.094 0.063 0.000 1.045 412 V CA 1.693 63.979 62.300 -0.022 0.000 1.024 412 V CB -0.490 31.316 31.823 -0.027 0.000 0.651 412 V HN 0.363 nan 8.190 nan 0.000 0.449 413 K N 0.419 120.857 120.400 0.063 0.000 2.044 413 K HA -0.270 4.051 4.320 0.001 0.000 0.210 413 K C 1.942 178.605 176.600 0.105 0.000 1.049 413 K CA 2.235 58.591 56.287 0.115 0.000 0.927 413 K CB -0.310 32.328 32.500 0.231 0.000 0.713 413 K HN 0.422 nan 8.250 nan 0.000 0.443 414 N N 0.216 118.983 118.700 0.112 0.000 2.216 414 N HA -0.145 4.596 4.740 0.001 0.000 0.183 414 N C 1.787 177.363 175.510 0.110 0.000 1.017 414 N CA 1.231 54.341 53.050 0.100 0.000 0.861 414 N CB -0.558 37.993 38.487 0.107 0.000 0.986 414 N HN 0.448 nan 8.380 nan 0.000 0.428 415 H N 0.703 119.801 119.070 0.047 0.000 2.321 415 H HA 0.089 4.646 4.556 0.001 0.000 0.300 415 H C 2.031 177.405 175.328 0.077 0.000 1.087 415 H CA 1.782 57.865 56.048 0.058 0.000 1.319 415 H CB -0.075 29.626 29.762 -0.102 0.000 1.379 415 H HN 0.085 nan 8.280 nan 0.000 0.501 416 M N -1.060 118.554 119.600 0.023 0.000 2.175 416 M HA -0.110 4.371 4.480 0.001 0.000 0.264 416 M C 2.210 178.557 176.300 0.078 0.000 1.063 416 M CA 1.487 56.805 55.300 0.031 0.000 1.119 416 M CB -0.064 32.618 32.600 0.137 0.000 1.377 416 M HN 0.355 nan 8.290 nan 0.000 0.415 417 M N 0.299 119.931 119.600 0.054 0.000 2.236 417 M HA -0.124 4.357 4.480 0.001 0.000 0.266 417 M C 1.816 178.106 176.300 -0.016 0.000 1.070 417 M CA 1.901 57.237 55.300 0.061 0.000 1.137 417 M CB -0.067 32.551 32.600 0.029 0.000 1.378 417 M HN 0.149 nan 8.290 nan 0.000 0.426 418 Q N -1.442 118.283 119.800 -0.124 0.000 2.402 418 Q HA 0.034 4.375 4.340 0.001 0.000 0.206 418 Q C -0.159 175.478 176.000 -0.605 0.000 0.919 418 Q CA 0.547 56.158 55.803 -0.319 0.000 0.923 418 Q CB 0.396 28.925 28.738 -0.348 0.000 1.048 418 Q HN 0.504 nan 8.270 nan 0.000 0.515 419 H N 0.336 119.322 119.070 -0.140 0.000 2.379 419 H HA 0.193 4.749 4.556 0.001 0.000 0.229 419 H C 0.026 175.271 175.328 -0.138 0.000 1.423 419 H CA -0.069 55.899 56.048 -0.133 0.000 1.375 419 H CB 0.527 30.140 29.762 -0.248 0.000 1.592 419 H HN 0.262 nan 8.280 nan 0.000 0.507 420 Q N 0.578 120.361 119.800 -0.028 0.000 2.472 420 Q HA -0.088 4.253 4.340 0.001 0.000 0.208 420 Q C 1.703 177.659 176.000 -0.074 0.000 0.958 420 Q CA 0.624 56.382 55.803 -0.075 0.000 0.932 420 Q CB 0.477 29.138 28.738 -0.128 0.000 1.007 420 Q HN 0.524 nan 8.270 nan 0.000 0.508 421 E N 1.195 121.396 120.200 0.002 0.000 2.371 421 E HA -0.096 4.255 4.350 0.001 0.000 0.194 421 E C -0.249 176.387 176.600 0.061 0.000 1.012 421 E CA 0.484 56.898 56.400 0.023 0.000 0.860 421 E CB 0.017 29.749 29.700 0.053 0.000 0.811 421 E HN 0.153 nan 8.360 nan 0.000 0.502 422 D N 2.137 122.595 120.400 0.096 0.000 2.225 422 D HA 0.120 4.761 4.640 0.001 0.000 0.248 422 D C -1.561 174.798 176.300 0.099 0.000 1.096 422 D CA -2.092 51.998 54.000 0.150 0.000 0.863 422 D CB 1.629 42.572 40.800 0.239 0.000 1.156 422 D HN -0.160 nan 8.370 nan 0.000 0.450 423 P HA 0.097 nan 4.420 nan 0.000 0.245 423 P C -0.160 177.185 177.300 0.075 0.000 1.206 423 P CA 0.177 63.318 63.100 0.067 0.000 0.781 423 P CB 0.403 32.133 31.700 0.050 0.000 0.994 424 L N 1.814 123.095 121.223 0.098 0.000 2.334 424 L HA 0.370 4.711 4.340 0.001 0.000 0.275 424 L C -1.363 175.551 176.870 0.073 0.000 1.036 424 L CA -2.203 52.668 54.840 0.053 0.000 0.807 424 L CB 2.141 44.200 42.059 0.000 0.000 1.231 424 L HN -0.280 nan 8.230 nan 0.000 0.438 425 P HA 0.105 nan 4.420 nan 0.000 0.255 425 P C 0.161 177.344 177.300 -0.194 0.000 1.248 425 P CA 0.465 63.578 63.100 0.022 0.000 0.807 425 P CB 0.376 32.092 31.700 0.027 0.000 1.150 426 I N 2.380 122.738 120.570 -0.353 0.000 2.352 426 I HA 0.226 4.396 4.170 0.001 0.000 0.290 426 I C -2.138 173.480 176.117 -0.831 0.000 1.036 426 I CA -2.783 58.240 61.300 -0.461 0.000 1.336 426 I CB 0.783 38.603 38.000 -0.300 0.000 1.407 426 I HN -0.247 nan 8.210 nan 0.000 0.497 427 P HA -0.023 nan 4.420 nan 0.000 0.265 427 P C 0.354 177.380 177.300 -0.456 0.000 1.187 427 P CA 0.063 62.755 63.100 -0.680 0.000 0.766 427 P CB 0.323 31.871 31.700 -0.254 0.000 0.820 428 F N 1.000 120.815 119.950 -0.226 0.000 2.154 428 F HA -0.152 4.376 4.527 0.001 0.000 0.301 428 F C 1.763 177.514 175.800 -0.082 0.000 1.087 428 F CA 1.656 59.577 58.000 -0.132 0.000 1.274 428 F CB -0.931 38.007 39.000 -0.103 0.000 1.009 428 F HN 0.424 nan 8.300 nan 0.000 0.485 429 E N -0.458 119.808 120.200 0.110 0.000 2.451 429 E HA 0.003 4.354 4.350 0.001 0.000 0.194 429 E C -0.258 176.355 176.600 0.022 0.000 1.027 429 E CA -0.285 56.157 56.400 0.071 0.000 0.914 429 E CB -0.157 29.590 29.700 0.079 0.000 1.054 429 E HN 0.156 nan 8.360 nan 0.000 0.461 430 D N 2.367 122.753 120.400 -0.023 0.000 2.487 430 D HA 0.001 4.641 4.640 0.001 0.000 0.243 430 D C -2.278 174.031 176.300 0.015 0.000 1.154 430 D CA -1.361 52.615 54.000 -0.039 0.000 0.876 430 D CB 0.767 41.501 40.800 -0.109 0.000 1.161 430 D HN -0.107 nan 8.370 nan 0.000 0.478 431 P HA 0.060 nan 4.420 nan 0.000 0.271 431 P C -0.349 177.055 177.300 0.173 0.000 1.233 431 P CA -0.350 62.839 63.100 0.149 0.000 0.789 431 P CB 0.355 32.163 31.700 0.181 0.000 0.951 432 E N 1.647 121.964 120.200 0.194 0.000 2.392 432 E HA 0.201 4.551 4.350 0.001 0.000 0.256 432 E C -2.517 174.113 176.600 0.050 0.000 1.145 432 E CA -1.938 54.507 56.400 0.076 0.000 0.929 432 E CB -1.003 28.706 29.700 0.015 0.000 0.998 432 E HN 0.208 nan 8.360 nan 0.000 0.442 433 P HA 0.084 nan 4.420 nan 0.000 0.272 433 P C -0.529 176.770 177.300 -0.001 0.000 1.223 433 P CA 0.031 63.195 63.100 0.107 0.000 0.784 433 P CB 0.376 32.088 31.700 0.020 0.000 0.923 434 Q N 0.936 120.839 119.800 0.172 0.000 3.394 434 Q HA 0.297 4.638 4.340 0.001 0.000 0.285 434 Q C -1.135 174.954 176.000 0.148 0.000 0.866 434 Q CA -0.264 55.513 55.803 -0.044 0.000 0.844 434 Q CB 1.089 29.543 28.738 -0.474 0.000 1.472 434 Q HN 0.172 nan 8.270 nan 0.000 0.401 435 V N 0.533 120.489 119.914 0.070 0.000 2.547 435 V HA 0.743 4.864 4.120 0.001 0.000 0.299 435 V C 0.192 176.289 176.094 0.005 0.000 1.040 435 V CA -0.419 61.917 62.300 0.061 0.000 0.913 435 V CB 2.044 33.847 31.823 -0.034 0.000 0.992 435 V HN 0.434 nan 8.190 nan 0.000 0.449 436 T N 1.656 116.241 114.554 0.053 0.000 2.916 436 T HA 0.469 4.819 4.350 0.001 0.000 0.305 436 T C -0.909 173.709 174.700 -0.138 0.000 1.119 436 T CA -0.317 61.752 62.100 -0.051 0.000 1.008 436 T CB 1.863 70.701 68.868 -0.051 0.000 1.129 436 T HN 0.829 nan 8.240 nan 0.000 0.480 437 T N 4.662 118.973 114.554 -0.405 0.000 2.772 437 T HA 0.596 4.947 4.350 0.001 0.000 0.288 437 T C -0.035 174.511 174.700 -0.257 0.000 0.994 437 T CA -0.600 61.113 62.100 -0.645 0.000 0.951 437 T CB -0.229 67.813 68.868 -1.377 0.000 0.933 437 T HN 0.511 nan 8.240 nan 0.000 0.447 438 L N 4.490 125.652 121.223 -0.102 0.000 2.467 438 L HA 0.372 4.713 4.340 0.001 0.000 0.270 438 L C 0.766 177.662 176.870 0.044 0.000 1.205 438 L CA -0.893 53.976 54.840 0.049 0.000 0.828 438 L CB 0.177 42.260 42.059 0.040 0.000 1.101 438 L HN 0.618 nan 8.230 nan 0.000 0.479 439 F N 2.890 122.786 119.950 -0.091 0.000 2.604 439 F HA -0.096 4.431 4.527 0.001 0.000 0.390 439 F C 0.298 175.859 175.800 -0.399 0.000 1.053 439 F CA 0.670 58.527 58.000 -0.239 0.000 1.256 439 F CB 0.098 39.003 39.000 -0.158 0.000 0.996 439 F HN 0.400 nan 8.300 nan 0.000 0.564 440 Q N 6.743 126.081 119.800 -0.769 0.000 2.456 440 Q HA 0.273 4.614 4.340 0.001 0.000 0.284 440 Q C -1.986 173.581 176.000 -0.722 0.000 1.061 440 Q CA -1.787 53.623 55.803 -0.655 0.000 0.799 440 Q CB 1.406 29.599 28.738 -0.908 0.000 1.445 440 Q HN 0.227 nan 8.270 nan 0.000 0.411 441 P HA -0.162 nan 4.420 nan 0.000 0.218 441 P C 1.091 178.167 177.300 -0.373 0.000 1.148 441 P CA 1.733 64.654 63.100 -0.299 0.000 0.822 441 P CB 0.254 31.873 31.700 -0.135 0.000 0.784 442 S N -1.495 113.982 115.700 -0.373 0.000 2.562 442 S HA -0.069 4.402 4.470 0.001 0.000 0.221 442 S C 0.496 174.910 174.600 -0.311 0.000 0.975 442 S CA -0.034 58.026 58.200 -0.233 0.000 0.918 442 S CB -1.228 61.934 63.200 -0.063 0.000 0.772 442 S HN 0.423 nan 8.310 nan 0.000 0.531 443 H N -1.332 117.298 119.070 -0.734 0.000 2.562 443 H HA 0.458 5.015 4.556 0.002 0.000 0.230 443 H C -3.237 170.938 175.328 -1.921 0.000 1.415 443 H CA -1.728 53.489 56.048 -1.386 0.000 1.454 443 H CB 0.311 29.548 29.762 -0.875 0.000 1.716 443 H HN 0.065 nan 8.280 nan 0.000 0.538 444 P HA 0.071 nan 4.420 nan 0.000 0.226 444 P C -1.206 175.393 177.300 -1.168 0.000 1.783 444 P CA 0.258 62.213 63.100 -1.908 0.000 0.980 444 P CB -1.101 30.059 31.700 -0.900 0.000 1.967 445 W N -0.513 120.408 121.300 -0.633 0.000 3.167 445 W HA 0.523 5.184 4.660 0.001 0.000 0.324 445 W C -0.796 175.821 176.519 0.164 0.000 1.230 445 W CA -1.300 56.049 57.345 0.006 0.000 1.184 445 W CB 0.094 29.588 29.460 0.057 0.000 1.414 445 W HN -0.020 nan 8.180 nan 0.000 0.551 446 H N 1.118 120.483 119.070 0.492 0.000 2.511 446 H HA 0.661 5.217 4.556 0.001 0.000 0.346 446 H C -0.177 175.316 175.328 0.276 0.000 1.128 446 H CA 0.419 56.652 56.048 0.308 0.000 1.342 446 H CB 1.427 31.317 29.762 0.213 0.000 1.470 446 H HN 0.566 nan 8.280 nan 0.000 0.546 447 T N 2.255 116.442 114.554 -0.612 0.000 2.861 447 T HA 0.495 4.845 4.350 0.001 0.000 0.287 447 T C -0.725 173.653 174.700 -0.537 0.000 1.003 447 T CA -1.100 60.664 62.100 -0.561 0.000 0.977 447 T CB 1.540 69.960 68.868 -0.747 0.000 0.996 447 T HN 0.671 nan 8.240 nan 0.000 0.448 448 Q N 2.071 121.760 119.800 -0.185 0.000 2.292 448 Q HA 0.560 4.901 4.340 0.001 0.000 0.270 448 Q C -1.164 174.712 176.000 -0.207 0.000 1.024 448 Q CA -0.620 54.997 55.803 -0.311 0.000 0.768 448 Q CB 2.486 30.927 28.738 -0.496 0.000 1.250 448 Q HN 0.727 nan 8.270 nan 0.000 0.447 449 I N 3.767 124.182 120.570 -0.259 0.000 2.495 449 I HA 0.380 4.551 4.170 0.001 0.000 0.277 449 I C -0.397 175.597 176.117 -0.204 0.000 1.045 449 I CA -0.311 60.730 61.300 -0.433 0.000 1.135 449 I CB 0.400 38.010 38.000 -0.651 0.000 1.241 449 I HN 0.754 nan 8.210 nan 0.000 0.469 450 H N 3.735 122.612 119.070 -0.322 0.000 2.954 450 H HA 0.651 5.208 4.556 0.001 0.000 0.262 450 H C -1.276 173.967 175.328 -0.143 0.000 1.515 450 H CA -1.350 54.582 56.048 -0.193 0.000 1.179 450 H CB 1.413 31.085 29.762 -0.149 0.000 1.888 450 H HN 0.126 nan 8.280 nan 0.000 0.645 451 R N 1.245 121.557 120.500 -0.313 0.000 2.574 451 R HA 0.280 4.621 4.340 0.001 0.000 0.288 451 R C -1.496 174.532 176.300 -0.454 0.000 1.004 451 R CA -0.557 55.331 56.100 -0.353 0.000 0.895 451 R CB 1.825 32.052 30.300 -0.122 0.000 1.191 451 R HN 0.921 nan 8.270 nan 0.000 0.444 452 D N 0.539 120.689 120.400 -0.416 0.000 2.687 452 D HA 0.474 5.115 4.640 0.001 0.000 0.264 452 D C -0.490 175.789 176.300 -0.034 0.000 1.091 452 D CA -0.827 53.037 54.000 -0.227 0.000 1.123 452 D CB 0.332 40.994 40.800 -0.230 0.000 1.407 452 D HN 0.386 nan 8.370 nan 0.000 0.591 453 A N -0.517 122.307 122.820 0.007 0.000 2.567 453 A HA 0.389 4.709 4.320 0.001 0.000 0.240 453 A C -0.777 176.889 177.584 0.137 0.000 1.053 453 A CA 0.234 52.331 52.037 0.101 0.000 0.755 453 A CB -0.791 18.296 19.000 0.145 0.000 0.978 453 A HN 0.478 nan 8.150 nan 0.000 0.507 454 F N 1.711 121.614 119.950 -0.079 0.000 2.615 454 F HA 0.455 4.983 4.527 0.001 0.000 0.312 454 F C 0.227 175.856 175.800 -0.285 0.000 1.119 454 F CA -0.239 57.601 58.000 -0.266 0.000 0.979 454 F CB 1.944 40.648 39.000 -0.493 0.000 1.266 454 F HN 0.578 nan 8.300 nan 0.000 0.444 455 S N 4.259 119.467 115.700 -0.820 0.000 2.411 455 S HA 0.398 4.869 4.470 0.001 0.000 0.304 455 S C -1.051 173.251 174.600 -0.497 0.000 1.098 455 S CA -0.405 57.504 58.200 -0.486 0.000 1.068 455 S CB -0.513 62.441 63.200 -0.409 0.000 1.032 455 S HN 0.461 nan 8.310 nan 0.000 0.511 456 Y N 2.297 122.648 120.300 0.084 0.000 2.319 456 Y HA 0.487 5.038 4.550 0.001 0.000 0.328 456 Y C 1.489 177.444 175.900 0.091 0.000 1.133 456 Y CA 0.144 58.374 58.100 0.216 0.000 1.265 456 Y CB 0.487 39.091 38.460 0.240 0.000 1.218 456 Y HN 0.848 nan 8.280 nan 0.000 0.508 457 G N 0.986 109.931 108.800 0.242 0.000 2.636 457 G HA2 0.292 4.252 3.960 0.001 0.000 0.246 457 G HA3 0.292 4.252 3.960 0.001 0.000 0.246 457 G C 0.885 175.874 174.900 0.148 0.000 1.216 457 G CA -0.084 45.103 45.100 0.144 0.000 0.854 457 G HN 0.914 nan 8.290 nan 0.000 0.572 458 A N 0.502 123.378 122.820 0.094 0.000 1.940 458 A HA -0.053 4.268 4.320 0.001 0.000 0.219 458 A C 2.501 180.129 177.584 0.072 0.000 1.176 458 A CA 2.012 54.094 52.037 0.075 0.000 0.631 458 A CB -0.469 18.561 19.000 0.050 0.000 0.814 458 A HN 0.546 nan 8.150 nan 0.000 0.446 459 V N -0.349 119.611 119.914 0.077 0.000 2.323 459 V HA -0.275 3.845 4.120 0.001 0.000 0.244 459 V C 2.584 178.725 176.094 0.080 0.000 1.041 459 V CA 2.071 64.411 62.300 0.067 0.000 1.025 459 V CB -0.870 30.990 31.823 0.062 0.000 0.656 459 V HN 0.637 nan 8.190 nan 0.000 0.451 460 Q N -0.293 119.584 119.800 0.128 0.000 2.135 460 Q HA -0.288 4.053 4.340 0.001 0.000 0.204 460 Q C 2.208 178.245 176.000 0.062 0.000 0.981 460 Q CA 1.649 57.544 55.803 0.153 0.000 0.856 460 Q CB -0.239 28.704 28.738 0.342 0.000 0.902 460 Q HN 0.685 nan 8.270 nan 0.000 0.425 461 Q N -0.307 119.537 119.800 0.073 0.000 2.508 461 Q HA -0.082 4.259 4.340 0.001 0.000 0.214 461 Q C 1.871 177.863 176.000 -0.014 0.000 0.979 461 Q CA 0.567 56.372 55.803 0.003 0.000 0.911 461 Q CB -0.007 28.761 28.738 0.050 0.000 0.969 461 Q HN 0.146 nan 8.270 nan 0.000 0.504 462 S N -0.110 115.593 115.700 0.006 0.000 2.453 462 S HA -0.010 4.461 4.470 0.001 0.000 0.231 462 S C 0.747 175.339 174.600 -0.013 0.000 1.005 462 S CA 0.202 58.403 58.200 0.002 0.000 0.949 462 S CB 0.259 63.468 63.200 0.016 0.000 0.774 462 S HN 0.162 nan 8.310 nan 0.000 0.510 463 I N 2.709 123.259 120.570 -0.034 0.000 2.365 463 I HA 0.250 4.421 4.170 0.001 0.000 0.291 463 I C 0.337 176.409 176.117 -0.074 0.000 1.004 463 I CA -0.840 60.434 61.300 -0.043 0.000 1.311 463 I CB 0.782 38.757 38.000 -0.040 0.000 1.401 463 I HN 0.136 nan 8.210 nan 0.000 0.491 464 D N 4.183 124.558 120.400 -0.042 0.000 2.493 464 D HA -0.076 4.565 4.640 0.001 0.000 0.240 464 D C 1.299 177.558 176.300 -0.070 0.000 1.142 464 D CA 0.239 54.218 54.000 -0.036 0.000 0.872 464 D CB 1.176 41.978 40.800 0.005 0.000 1.173 464 D HN 0.677 nan 8.370 nan 0.000 0.467 465 S N 4.367 120.014 115.700 -0.088 0.000 2.419 465 S HA -0.192 4.279 4.470 0.001 0.000 0.235 465 S C 1.655 176.220 174.600 -0.057 0.000 1.019 465 S CA 0.684 58.815 58.200 -0.116 0.000 0.982 465 S CB -0.052 63.086 63.200 -0.104 0.000 0.789 465 S HN 0.562 nan 8.310 nan 0.000 0.490 466 R N 0.584 121.067 120.500 -0.029 0.000 2.237 466 R HA 0.185 4.525 4.340 0.001 0.000 0.219 466 R C 1.831 178.112 176.300 -0.032 0.000 1.080 466 R CA 1.142 57.224 56.100 -0.030 0.000 0.995 466 R CB -0.489 29.787 30.300 -0.041 0.000 0.875 466 R HN 0.469 nan 8.270 nan 0.000 0.462 467 L N 0.243 121.449 121.223 -0.029 0.000 2.446 467 L HA 0.127 4.468 4.340 0.001 0.000 0.219 467 L C 0.744 177.613 176.870 -0.002 0.000 1.116 467 L CA 0.206 55.037 54.840 -0.015 0.000 0.844 467 L CB 0.098 42.149 42.059 -0.014 0.000 0.970 467 L HN 0.055 nan 8.230 nan 0.000 0.457 468 I N 0.287 120.848 120.570 -0.014 0.000 2.396 468 I HA 0.237 4.408 4.170 0.001 0.000 0.292 468 I C -0.588 175.539 176.117 0.016 0.000 0.999 468 I CA -0.382 60.922 61.300 0.006 0.000 1.310 468 I CB 1.756 39.741 38.000 -0.024 0.000 1.404 468 I HN -0.285 nan 8.210 nan 0.000 0.496 469 V N 4.811 124.755 119.914 0.050 0.000 2.709 469 V HA 0.314 4.435 4.120 0.001 0.000 0.308 469 V C -0.796 175.285 176.094 -0.022 0.000 1.062 469 V CA -0.865 61.425 62.300 -0.017 0.000 0.901 469 V CB 2.142 33.955 31.823 -0.017 0.000 1.003 469 V HN 0.582 nan 8.190 nan 0.000 0.425 470 D N 2.586 122.904 120.400 -0.136 0.000 2.210 470 D HA 0.459 5.100 4.640 0.001 0.000 0.249 470 D C -0.996 175.209 176.300 -0.158 0.000 1.062 470 D CA 0.141 54.092 54.000 -0.081 0.000 0.891 470 D CB 1.286 42.070 40.800 -0.027 0.000 1.186 470 D HN 0.442 nan 8.370 nan 0.000 0.432 471 W N 1.423 122.666 121.300 -0.095 0.000 2.619 471 W HA 0.451 5.111 4.660 0.001 0.000 0.327 471 W C 0.176 176.701 176.519 0.010 0.000 1.027 471 W CA -0.844 56.492 57.345 -0.016 0.000 1.233 471 W CB 1.346 30.690 29.460 -0.194 0.000 1.370 471 W HN -0.066 nan 8.180 nan 0.000 0.453 472 R N 3.061 123.769 120.500 0.347 0.000 2.502 472 R HA 0.481 4.822 4.340 0.001 0.000 0.298 472 R C -1.599 174.861 176.300 0.266 0.000 1.018 472 R CA -0.814 55.383 56.100 0.162 0.000 0.899 472 R CB 1.549 31.920 30.300 0.119 0.000 1.181 472 R HN 0.175 nan 8.270 nan 0.000 0.444 473 F N 3.071 122.860 119.950 -0.269 0.000 2.469 473 F HA 0.514 5.042 4.527 0.001 0.000 0.332 473 F C -0.321 175.340 175.800 -0.232 0.000 1.103 473 F CA -1.522 56.404 58.000 -0.124 0.000 0.979 473 F CB 1.113 40.012 39.000 -0.169 0.000 1.137 473 F HN 0.285 nan 8.300 nan 0.000 0.463 474 F N 1.294 121.431 119.950 0.313 0.000 2.449 474 F HA 0.665 5.193 4.527 0.001 0.000 0.342 474 F C 0.643 176.652 175.800 0.348 0.000 1.127 474 F CA -1.144 57.038 58.000 0.304 0.000 0.975 474 F CB 1.390 40.616 39.000 0.377 0.000 1.146 474 F HN 0.520 nan 8.300 nan 0.000 0.444 475 G N 2.056 111.103 108.800 0.412 0.000 2.502 475 G HA2 0.654 4.615 3.960 0.001 0.000 0.305 475 G HA3 0.654 4.615 3.960 0.001 0.000 0.305 475 G C -0.905 174.190 174.900 0.325 0.000 1.190 475 G CA -1.062 44.267 45.100 0.382 0.000 0.933 475 G HN 0.710 nan 8.290 nan 0.000 0.503 476 R N -1.011 119.674 120.500 0.309 0.000 2.532 476 R HA 0.672 5.013 4.340 0.001 0.000 0.295 476 R C -1.109 175.285 176.300 0.157 0.000 0.968 476 R CA -0.590 55.611 56.100 0.168 0.000 0.916 476 R CB 1.471 31.887 30.300 0.193 0.000 1.124 476 R HN 0.269 nan 8.270 nan 0.000 0.463 477 T N 2.037 116.648 114.554 0.095 0.000 2.786 477 T HA 0.115 4.466 4.350 0.001 0.000 0.283 477 T C -0.682 174.093 174.700 0.126 0.000 0.992 477 T CA -0.613 61.593 62.100 0.176 0.000 0.954 477 T CB 1.289 70.337 68.868 0.301 0.000 0.934 477 T HN 0.683 nan 8.240 nan 0.000 0.440 478 E N 4.659 124.937 120.200 0.131 0.000 2.480 478 E HA 0.046 4.397 4.350 0.001 0.000 0.258 478 E C -2.135 174.541 176.600 0.127 0.000 0.984 478 E CA -1.311 55.157 56.400 0.114 0.000 0.930 478 E CB 0.456 30.214 29.700 0.097 0.000 0.936 478 E HN 0.185 nan 8.360 nan 0.000 0.466 479 P HA 0.097 nan 4.420 nan 0.000 0.276 479 P C -1.280 176.179 177.300 0.266 0.000 1.253 479 P CA 0.130 63.368 63.100 0.231 0.000 0.766 479 P CB 0.624 32.474 31.700 0.252 0.000 0.845 480 K N 2.680 123.181 120.400 0.167 0.000 2.378 480 K HA 0.185 4.506 4.320 0.001 0.000 0.252 480 K C 0.956 177.385 176.600 -0.286 0.000 0.931 480 K CA -0.733 55.568 56.287 0.023 0.000 0.794 480 K CB 2.301 34.772 32.500 -0.049 0.000 1.181 480 K HN 0.420 nan 8.250 nan 0.000 0.425 481 E N 2.103 121.969 120.200 -0.557 0.000 2.160 481 E HA -0.217 4.133 4.350 0.001 0.000 0.195 481 E C 0.988 177.323 176.600 -0.442 0.000 0.991 481 E CA 1.503 57.316 56.400 -0.978 0.000 0.810 481 E CB 0.478 29.837 29.700 -0.568 0.000 0.742 481 E HN 0.548 nan 8.360 nan 0.000 0.466 482 E N 0.290 120.341 120.200 -0.248 0.000 2.347 482 E HA -0.108 4.242 4.350 0.001 0.000 0.196 482 E C 0.038 176.575 176.600 -0.104 0.000 1.008 482 E CA 0.322 56.634 56.400 -0.146 0.000 0.852 482 E CB -0.259 29.373 29.700 -0.114 0.000 0.783 482 E HN 0.076 nan 8.360 nan 0.000 0.505 483 N N 2.002 120.630 118.700 -0.120 0.000 2.408 483 N HA 0.184 4.924 4.740 0.001 0.000 0.257 483 N C -0.766 174.801 175.510 0.096 0.000 1.064 483 N CA 0.131 53.167 53.050 -0.024 0.000 0.952 483 N CB 1.114 39.553 38.487 -0.081 0.000 1.093 483 N HN 0.113 nan 8.380 nan 0.000 0.490 484 K N 1.174 121.688 120.400 0.189 0.000 2.469 484 K HA 0.453 4.774 4.320 0.001 0.000 0.254 484 K C -1.139 175.615 176.600 0.256 0.000 0.939 484 K CA -0.915 55.501 56.287 0.215 0.000 0.812 484 K CB 2.422 35.052 32.500 0.217 0.000 1.301 484 K HN 0.174 nan 8.250 nan 0.000 0.433 485 L N 4.005 125.322 121.223 0.156 0.000 2.298 485 L HA 0.571 4.912 4.340 0.001 0.000 0.284 485 L C -1.296 175.502 176.870 -0.121 0.000 1.013 485 L CA -0.051 54.706 54.840 -0.138 0.000 0.824 485 L CB 0.486 42.463 42.059 -0.136 0.000 1.221 485 L HN 0.702 nan 8.230 nan 0.000 0.418 486 W N 3.722 124.732 121.300 -0.483 0.000 3.017 486 W HA 0.639 5.300 4.660 0.001 0.000 0.341 486 W C -2.225 173.849 176.519 -0.742 0.000 1.180 486 W CA -1.224 55.891 57.345 -0.384 0.000 1.097 486 W CB 0.930 30.320 29.460 -0.117 0.000 1.468 486 W HN 0.333 nan 8.180 nan 0.000 0.584 487 F N 1.559 121.684 119.950 0.292 0.000 2.529 487 F HA 0.343 4.871 4.527 0.001 0.000 0.320 487 F C 0.775 176.731 175.800 0.259 0.000 1.118 487 F CA -0.911 57.146 58.000 0.095 0.000 0.915 487 F CB 2.114 41.158 39.000 0.074 0.000 1.161 487 F HN 0.269 nan 8.300 nan 0.000 0.445 488 S N 1.025 116.860 115.700 0.226 0.000 2.562 488 S HA 0.061 4.532 4.470 0.001 0.000 0.281 488 S C 0.716 175.463 174.600 0.245 0.000 1.333 488 S CA -0.481 57.888 58.200 0.280 0.000 1.052 488 S CB 0.371 63.641 63.200 0.117 0.000 0.884 488 S HN 0.693 nan 8.310 nan 0.000 0.506 489 D N 2.646 123.180 120.400 0.222 0.000 2.328 489 D HA 0.145 4.786 4.640 0.001 0.000 0.221 489 D C 0.902 177.264 176.300 0.103 0.000 1.072 489 D CA 0.284 54.369 54.000 0.140 0.000 0.850 489 D CB 0.239 41.106 40.800 0.111 0.000 0.922 489 D HN 0.391 nan 8.370 nan 0.000 0.516 490 K N -0.123 120.342 120.400 0.109 0.000 2.494 490 K HA 0.138 4.459 4.320 0.001 0.000 0.201 490 K C 0.147 176.789 176.600 0.071 0.000 1.338 490 K CA -0.071 56.264 56.287 0.080 0.000 0.935 490 K CB 0.849 33.397 32.500 0.079 0.000 1.514 490 K HN -0.015 nan 8.250 nan 0.000 0.490 491 I N 3.719 124.334 120.570 0.074 0.000 2.575 491 I HA 0.092 4.262 4.170 0.001 0.000 0.285 491 I C 0.655 176.806 176.117 0.057 0.000 1.085 491 I CA 0.176 61.508 61.300 0.054 0.000 1.403 491 I CB 0.803 38.823 38.000 0.033 0.000 1.409 491 I HN 0.232 nan 8.210 nan 0.000 0.557 492 T N 1.328 115.913 114.554 0.051 0.000 2.924 492 T HA 0.591 4.942 4.350 0.001 0.000 0.291 492 T C -0.371 174.365 174.700 0.059 0.000 1.045 492 T CA -0.918 61.219 62.100 0.062 0.000 1.015 492 T CB 2.426 71.327 68.868 0.056 0.000 1.103 492 T HN 0.561 nan 8.240 nan 0.000 0.496 493 D N 0.660 121.111 120.400 0.085 0.000 2.511 493 D HA 0.486 5.127 4.640 0.001 0.000 0.276 493 D C 1.598 177.946 176.300 0.079 0.000 1.220 493 D CA -0.464 53.594 54.000 0.096 0.000 1.077 493 D CB 0.067 40.959 40.800 0.154 0.000 1.126 493 D HN 0.648 nan 8.370 nan 0.000 0.583 494 A N -1.368 121.500 122.820 0.079 0.000 2.067 494 A HA -0.108 4.213 4.320 0.001 0.000 0.219 494 A C 1.151 178.600 177.584 -0.225 0.000 1.158 494 A CA 0.877 52.874 52.037 -0.067 0.000 0.661 494 A CB -0.942 17.998 19.000 -0.099 0.000 0.801 494 A HN 0.543 nan 8.150 nan 0.000 0.452 495 Y N -1.219 119.101 120.300 0.033 0.000 2.625 495 Y HA 0.232 4.783 4.550 0.001 0.000 0.285 495 Y C 0.897 176.823 175.900 0.043 0.000 1.168 495 Y CA -0.189 57.931 58.100 0.034 0.000 1.250 495 Y CB -0.211 38.254 38.460 0.009 0.000 1.130 495 Y HN 0.438 nan 8.280 nan 0.000 0.526 496 N N -0.198 118.570 118.700 0.114 0.000 2.741 496 N HA -0.179 4.561 4.740 0.001 0.000 0.250 496 N C -0.651 174.911 175.510 0.086 0.000 1.115 496 N CA 0.580 53.678 53.050 0.080 0.000 0.724 496 N CB -0.635 37.886 38.487 0.057 0.000 1.090 496 N HN 0.119 nan 8.380 nan 0.000 0.558 497 M N -0.107 119.561 119.600 0.113 0.000 2.528 497 M HA 0.428 4.909 4.480 0.001 0.000 0.318 497 M C -1.974 174.387 176.300 0.103 0.000 1.195 497 M CA -2.052 53.303 55.300 0.091 0.000 1.000 497 M CB 0.360 33.013 32.600 0.089 0.000 1.615 497 M HN -0.199 nan 8.290 nan 0.000 0.469 498 P HA -0.036 nan 4.420 nan 0.000 0.261 498 P C -0.584 176.860 177.300 0.241 0.000 1.183 498 P CA 0.160 63.352 63.100 0.153 0.000 0.761 498 P CB 0.176 31.967 31.700 0.151 0.000 0.785 499 Q N 7.146 127.036 119.800 0.150 0.000 2.286 499 Q HA 0.155 4.495 4.340 0.001 0.000 0.267 499 Q C -2.236 173.722 176.000 -0.071 0.000 1.028 499 Q CA -1.978 53.861 55.803 0.061 0.000 0.901 499 Q CB -0.218 28.510 28.738 -0.016 0.000 1.183 499 Q HN 0.298 nan 8.270 nan 0.000 0.392 500 P HA 0.097 nan 4.420 nan 0.000 0.271 500 P C -1.038 175.772 177.300 -0.817 0.000 1.216 500 P CA -0.098 62.583 63.100 -0.698 0.000 0.776 500 P CB 0.982 32.356 31.700 -0.543 0.000 0.881 501 T N 2.802 116.639 114.554 -1.196 0.000 2.971 501 T HA 0.500 4.850 4.350 0.001 0.000 0.304 501 T C -0.629 173.400 174.700 -1.117 0.000 1.038 501 T CA -0.114 61.289 62.100 -1.160 0.000 1.007 501 T CB 0.532 68.398 68.868 -1.670 0.000 1.055 501 T HN 0.055 nan 8.240 nan 0.000 0.451 502 F N 1.925 121.602 119.950 -0.456 0.000 2.425 502 F HA 0.549 5.077 4.527 0.001 0.000 0.331 502 F C 0.603 176.369 175.800 -0.056 0.000 1.085 502 F CA -0.907 56.959 58.000 -0.224 0.000 1.028 502 F CB 1.206 40.114 39.000 -0.152 0.000 1.177 502 F HN 0.406 nan 8.300 nan 0.000 0.487 503 D N 3.237 123.825 120.400 0.315 0.000 2.375 503 D HA 0.221 4.861 4.640 0.001 0.000 0.259 503 D C -1.814 174.627 176.300 0.235 0.000 1.235 503 D CA -0.083 54.077 54.000 0.267 0.000 0.924 503 D CB 0.412 41.394 40.800 0.304 0.000 1.143 503 D HN 0.294 nan 8.370 nan 0.000 0.529 504 F N 3.337 123.285 119.950 -0.003 0.000 2.581 504 F HA 0.600 5.128 4.527 0.001 0.000 0.311 504 F C -1.216 174.480 175.800 -0.174 0.000 1.113 504 F CA -0.579 57.351 58.000 -0.116 0.000 0.935 504 F CB 1.377 40.241 39.000 -0.225 0.000 1.232 504 F HN 0.033 nan 8.300 nan 0.000 0.445 505 R N 4.154 124.146 120.500 -0.846 0.000 2.740 505 R HA 0.355 4.696 4.340 0.001 0.000 0.273 505 R C -1.688 173.992 176.300 -1.033 0.000 0.998 505 R CA -0.962 54.753 56.100 -0.640 0.000 0.900 505 R CB 1.676 31.809 30.300 -0.277 0.000 1.223 505 R HN 0.581 nan 8.270 nan 0.000 0.466 506 F N 2.659 122.396 119.950 -0.354 0.000 2.543 506 F HA 0.190 4.718 4.527 0.001 0.000 0.375 506 F C -1.318 174.360 175.800 -0.203 0.000 1.075 506 F CA -1.182 56.688 58.000 -0.217 0.000 1.225 506 F CB -0.133 38.859 39.000 -0.014 0.000 1.099 506 F HN 0.122 nan 8.300 nan 0.000 0.561 507 P HA 0.104 nan 4.420 nan 0.000 0.266 507 P C -0.578 176.735 177.300 0.021 0.000 1.195 507 P CA -0.092 62.990 63.100 -0.031 0.000 0.768 507 P CB 0.558 32.254 31.700 -0.006 0.000 0.838 508 A N 2.690 125.509 122.820 -0.002 0.000 2.386 508 A HA 0.572 4.893 4.320 0.001 0.000 0.246 508 A C 1.100 178.698 177.584 0.023 0.000 1.089 508 A CA 0.755 52.797 52.037 0.009 0.000 0.790 508 A CB -0.913 18.085 19.000 -0.003 0.000 1.042 508 A HN 0.819 nan 8.150 nan 0.000 0.497 509 G N -0.055 108.761 108.800 0.026 0.000 2.503 509 G HA2 -0.251 3.710 3.960 0.001 0.000 0.235 509 G HA3 -0.251 3.710 3.960 0.001 0.000 0.235 509 G C 1.024 175.954 174.900 0.050 0.000 1.179 509 G CA 0.746 45.867 45.100 0.035 0.000 0.944 509 G HN 1.014 nan 8.290 nan 0.000 0.580 510 R N -0.223 120.313 120.500 0.060 0.000 2.103 510 R HA -0.116 4.225 4.340 0.001 0.000 0.242 510 R C 2.806 179.163 176.300 0.095 0.000 1.142 510 R CA 2.862 59.008 56.100 0.077 0.000 0.960 510 R CB -0.913 29.435 30.300 0.080 0.000 0.858 510 R HN 0.628 nan 8.270 nan 0.000 0.439 511 T N -0.091 114.522 114.554 0.098 0.000 2.684 511 T HA -0.104 4.247 4.350 0.001 0.000 0.267 511 T C 1.919 176.673 174.700 0.089 0.000 1.036 511 T CA 1.791 63.964 62.100 0.122 0.000 1.148 511 T CB -0.141 68.816 68.868 0.149 0.000 0.863 511 T HN 0.283 nan 8.240 nan 0.000 0.436 512 S N 0.598 116.334 115.700 0.061 0.000 2.357 512 S HA -0.009 4.461 4.470 0.001 0.000 0.221 512 S C 2.022 176.633 174.600 0.018 0.000 1.031 512 S CA 0.912 59.119 58.200 0.012 0.000 0.982 512 S CB -0.188 63.014 63.200 0.004 0.000 0.853 512 S HN 0.509 nan 8.310 nan 0.000 0.458 513 K N 1.439 121.865 120.400 0.045 0.000 2.063 513 K HA -0.156 4.165 4.320 0.001 0.000 0.208 513 K C 1.885 178.543 176.600 0.097 0.000 1.048 513 K CA 1.538 57.861 56.287 0.059 0.000 0.928 513 K CB -0.126 32.413 32.500 0.064 0.000 0.713 513 K HN 0.354 nan 8.250 nan 0.000 0.442 514 E N -0.157 120.126 120.200 0.137 0.000 2.106 514 E HA -0.165 4.185 4.350 0.001 0.000 0.192 514 E C 1.982 178.678 176.600 0.159 0.000 0.984 514 E CA 0.876 57.418 56.400 0.236 0.000 0.806 514 E CB -0.094 29.773 29.700 0.279 0.000 0.750 514 E HN 0.471 nan 8.360 nan 0.000 0.458 515 A N 1.391 124.272 122.820 0.100 0.000 1.908 515 A HA -0.263 4.057 4.320 0.001 0.000 0.218 515 A C 2.077 179.731 177.584 0.117 0.000 1.181 515 A CA 1.872 53.964 52.037 0.091 0.000 0.627 515 A CB -0.404 18.603 19.000 0.012 0.000 0.818 515 A HN 0.152 nan 8.150 nan 0.000 0.445 516 E N 0.438 120.688 120.200 0.084 0.000 2.072 516 E HA -0.154 4.196 4.350 0.001 0.000 0.191 516 E C 1.359 177.942 176.600 -0.028 0.000 0.985 516 E CA 1.513 57.959 56.400 0.076 0.000 0.801 516 E CB -0.303 29.420 29.700 0.040 0.000 0.750 516 E HN 0.515 nan 8.360 nan 0.000 0.452 517 D N -0.049 120.336 120.400 -0.025 0.000 2.149 517 D HA -0.200 4.441 4.640 0.001 0.000 0.198 517 D C 1.903 177.956 176.300 -0.412 0.000 0.990 517 D CA 1.231 55.200 54.000 -0.051 0.000 0.839 517 D CB -0.316 40.589 40.800 0.175 0.000 0.948 517 D HN 0.324 nan 8.370 nan 0.000 0.460 518 M N -0.361 118.776 119.600 -0.772 0.000 2.132 518 M HA -0.184 4.296 4.480 0.001 0.000 0.263 518 M C 2.046 177.922 176.300 -0.706 0.000 1.065 518 M CA 1.155 55.661 55.300 -1.323 0.000 1.122 518 M CB 0.018 32.065 32.600 -0.923 0.000 1.365 518 M HN -0.033 nan 8.290 nan 0.000 0.411 519 M N 0.308 119.622 119.600 -0.477 0.000 2.080 519 M HA -0.164 4.317 4.480 0.001 0.000 0.260 519 M C 1.796 177.878 176.300 -0.363 0.000 1.068 519 M CA 2.402 57.422 55.300 -0.467 0.000 1.109 519 M CB -0.990 31.410 32.600 -0.334 0.000 1.342 519 M HN 0.251 nan 8.290 nan 0.000 0.405 520 T N 0.009 114.421 114.554 -0.237 0.000 2.720 520 T HA -0.171 4.180 4.350 0.001 0.000 0.268 520 T C 1.492 176.116 174.700 -0.126 0.000 1.037 520 T CA 1.802 63.817 62.100 -0.141 0.000 1.144 520 T CB -0.618 68.212 68.868 -0.062 0.000 0.864 520 T HN 0.529 nan 8.240 nan 0.000 0.444 521 D N 0.509 120.828 120.400 -0.135 0.000 2.117 521 D HA -0.064 4.577 4.640 0.001 0.000 0.197 521 D C 2.059 178.355 176.300 -0.007 0.000 0.987 521 D CA 0.867 54.902 54.000 0.058 0.000 0.829 521 D CB -0.223 40.726 40.800 0.248 0.000 0.961 521 D HN 0.283 nan 8.370 nan 0.000 0.460 522 M N -0.495 118.855 119.600 -0.417 0.000 2.117 522 M HA -0.185 4.296 4.480 0.001 0.000 0.262 522 M C 1.995 178.001 176.300 -0.490 0.000 1.065 522 M CA 1.358 56.150 55.300 -0.846 0.000 1.114 522 M CB -0.168 31.667 32.600 -1.275 0.000 1.361 522 M HN 0.201 nan 8.290 nan 0.000 0.408 523 C N -0.371 118.737 119.300 -0.320 0.000 2.413 523 C HA -0.125 4.336 4.460 0.001 0.000 0.276 523 C C 2.670 177.574 174.990 -0.144 0.000 1.236 523 C CA 0.962 59.904 59.018 -0.128 0.000 1.735 523 C CB -1.017 26.689 27.740 -0.056 0.000 2.031 523 C HN 0.504 nan 8.230 nan 0.000 0.474 524 V N 0.449 120.306 119.914 -0.096 0.000 2.307 524 V HA -0.273 3.848 4.120 0.001 0.000 0.245 524 V C 2.374 178.451 176.094 -0.028 0.000 1.045 524 V CA 2.231 64.505 62.300 -0.044 0.000 1.024 524 V CB -0.646 31.201 31.823 0.040 0.000 0.651 524 V HN 0.589 nan 8.190 nan 0.000 0.449 525 M N 0.674 120.296 119.600 0.037 0.000 2.200 525 M HA -0.137 4.344 4.480 0.001 0.000 0.265 525 M C 2.418 178.605 176.300 -0.188 0.000 1.066 525 M CA 2.078 57.480 55.300 0.169 0.000 1.127 525 M CB -0.140 32.717 32.600 0.428 0.000 1.379 525 M HN 0.554 nan 8.290 nan 0.000 0.420 526 S N 0.428 115.700 115.700 -0.712 0.000 2.402 526 S HA -0.024 4.447 4.470 0.001 0.000 0.229 526 S C 1.952 176.176 174.600 -0.626 0.000 1.021 526 S CA 0.894 58.264 58.200 -1.383 0.000 0.974 526 S CB -0.761 61.393 63.200 -1.744 0.000 0.800 526 S HN 0.553 nan 8.310 nan 0.000 0.484 527 A N 2.037 124.593 122.820 -0.441 0.000 2.067 527 A HA 0.036 4.357 4.320 0.001 0.000 0.219 527 A C 2.134 179.598 177.584 -0.200 0.000 1.158 527 A CA 1.157 52.984 52.037 -0.350 0.000 0.661 527 A CB -0.516 18.299 19.000 -0.308 0.000 0.801 527 A HN 0.620 nan 8.150 nan 0.000 0.452 528 K N -0.557 119.769 120.400 -0.123 0.000 2.283 528 K HA -0.020 4.301 4.320 0.001 0.000 0.202 528 K C 1.164 177.762 176.600 -0.003 0.000 1.048 528 K CA 0.908 57.169 56.287 -0.044 0.000 0.948 528 K CB -0.043 32.468 32.500 0.019 0.000 0.742 528 K HN 0.409 nan 8.250 nan 0.000 0.458 529 I N -0.807 119.779 120.570 0.025 0.000 3.172 529 I HA 0.154 4.325 4.170 0.001 0.000 0.278 529 I C 1.121 177.257 176.117 0.033 0.000 1.174 529 I CA 0.583 61.946 61.300 0.104 0.000 1.445 529 I CB -0.055 38.147 38.000 0.335 0.000 1.175 529 I HN 0.109 nan 8.210 nan 0.000 0.447 530 G N -0.628 108.139 108.800 -0.054 0.000 2.356 530 G HA2 0.456 4.417 3.960 0.001 0.000 0.294 530 G HA3 0.456 4.417 3.960 0.001 0.000 0.294 530 G C -0.571 174.187 174.900 -0.236 0.000 1.423 530 G CA -0.186 44.855 45.100 -0.100 0.000 0.806 530 G HN 0.285 nan 8.290 nan 0.000 0.527 531 G N -1.084 107.572 108.800 -0.241 0.000 2.634 531 G HA2 0.517 4.478 3.960 0.001 0.000 0.255 531 G HA3 0.517 4.478 3.960 0.001 0.000 0.255 531 G C -0.220 174.500 174.900 -0.300 0.000 1.205 531 G CA -0.439 44.429 45.100 -0.387 0.000 0.884 531 G HN 0.443 nan 8.290 nan 0.000 0.549 532 F N -0.746 119.114 119.950 -0.149 0.000 2.553 532 F HA 0.204 4.732 4.527 0.001 0.000 0.356 532 F C 0.705 176.449 175.800 -0.093 0.000 1.142 532 F CA -0.772 57.134 58.000 -0.157 0.000 1.322 532 F CB 0.708 39.608 39.000 -0.168 0.000 1.126 532 F HN 0.174 nan 8.300 nan 0.000 0.599 533 L N 5.990 127.287 121.223 0.124 0.000 2.313 533 L HA 0.428 4.769 4.340 0.001 0.000 0.282 533 L C -2.425 174.496 176.870 0.086 0.000 1.092 533 L CA -1.952 52.936 54.840 0.080 0.000 0.831 533 L CB 0.142 42.244 42.059 0.071 0.000 1.159 533 L HN 0.281 nan 8.230 nan 0.000 0.442 534 P HA 0.177 nan 4.420 nan 0.000 0.264 534 P C 0.635 177.989 177.300 0.091 0.000 1.183 534 P CA 1.086 64.230 63.100 0.073 0.000 0.763 534 P CB 0.620 32.357 31.700 0.061 0.000 0.807 535 G N 1.855 110.703 108.800 0.079 0.000 2.205 535 G HA2 -0.245 3.715 3.960 0.001 0.000 0.261 535 G HA3 -0.245 3.715 3.960 0.001 0.000 0.261 535 G C 0.483 175.473 174.900 0.150 0.000 0.980 535 G CA 0.283 45.448 45.100 0.109 0.000 0.632 535 G HN 0.532 nan 8.290 nan 0.000 0.533 536 S N 0.610 116.374 115.700 0.107 0.000 2.526 536 S HA 0.501 4.972 4.470 0.001 0.000 0.220 536 S C 0.476 175.005 174.600 -0.118 0.000 1.159 536 S CA -0.565 57.693 58.200 0.096 0.000 1.196 536 S CB 0.266 63.505 63.200 0.065 0.000 1.225 536 S HN 0.461 nan 8.310 nan 0.000 0.432 537 L N 2.167 123.310 121.223 -0.132 0.000 2.453 537 L HA 0.357 4.698 4.340 0.001 0.000 0.261 537 L C -2.188 174.405 176.870 -0.463 0.000 1.179 537 L CA -2.256 52.373 54.840 -0.351 0.000 0.813 537 L CB -0.085 41.831 42.059 -0.239 0.000 1.110 537 L HN 0.052 nan 8.230 nan 0.000 0.466 538 P HA 0.023 nan 4.420 nan 0.000 0.263 538 P C -1.360 175.713 177.300 -0.377 0.000 1.195 538 P CA 0.087 62.804 63.100 -0.638 0.000 0.762 538 P CB 0.408 31.631 31.700 -0.795 0.000 0.799 539 Q N 1.772 121.393 119.800 -0.298 0.000 2.472 539 Q HA 0.471 4.812 4.340 0.001 0.000 0.281 539 Q C -1.456 174.399 176.000 -0.242 0.000 0.997 539 Q CA -0.857 54.850 55.803 -0.159 0.000 0.828 539 Q CB 0.716 29.438 28.738 -0.027 0.000 1.443 539 Q HN 0.079 nan 8.270 nan 0.000 0.390 540 F N 1.691 121.586 119.950 -0.092 0.000 2.443 540 F HA 0.292 4.820 4.527 0.001 0.000 0.353 540 F C 0.673 176.438 175.800 -0.059 0.000 1.101 540 F CA -0.269 57.675 58.000 -0.093 0.000 1.226 540 F CB 0.915 39.851 39.000 -0.108 0.000 1.140 540 F HN 0.392 nan 8.300 nan 0.000 0.557 541 M N 1.827 121.473 119.600 0.076 0.000 2.247 541 M HA 0.114 4.594 4.480 0.001 0.000 0.326 541 M C 0.311 176.647 176.300 0.062 0.000 1.134 541 M CA -0.387 54.928 55.300 0.025 0.000 1.136 541 M CB 0.600 33.169 32.600 -0.052 0.000 1.454 541 M HN 0.601 nan 8.290 nan 0.000 0.467 542 E N 3.079 123.289 120.200 0.017 0.000 2.568 542 E HA -0.014 4.337 4.350 0.001 0.000 0.262 542 E C -2.139 174.476 176.600 0.025 0.000 0.961 542 E CA -1.159 55.250 56.400 0.014 0.000 0.945 542 E CB 0.360 30.045 29.700 -0.026 0.000 0.924 542 E HN 0.189 nan 8.360 nan 0.000 0.467 543 P HA 0.037 nan 4.420 nan 0.000 0.262 543 P C 0.314 177.540 177.300 -0.123 0.000 1.199 543 P CA 1.045 64.176 63.100 0.052 0.000 0.763 543 P CB 0.623 32.342 31.700 0.031 0.000 0.790 544 G N 2.605 111.338 108.800 -0.112 0.000 2.195 544 G HA2 -0.317 3.643 3.960 0.001 0.000 0.246 544 G HA3 -0.317 3.643 3.960 0.001 0.000 0.246 544 G C 0.723 175.566 174.900 -0.095 0.000 0.984 544 G CA 0.151 45.143 45.100 -0.179 0.000 0.633 544 G HN 0.513 nan 8.290 nan 0.000 0.525 545 L N 0.977 122.162 121.223 -0.063 0.000 2.127 545 L HA 0.134 4.475 4.340 0.001 0.000 0.211 545 L C 2.846 179.692 176.870 -0.041 0.000 1.089 545 L CA 2.405 57.213 54.840 -0.054 0.000 0.757 545 L CB -0.453 41.569 42.059 -0.062 0.000 0.899 545 L HN 0.435 nan 8.230 nan 0.000 0.434 546 V N 0.017 119.909 119.914 -0.037 0.000 2.453 546 V HA -0.238 3.883 4.120 0.001 0.000 0.252 546 V C 1.554 177.573 176.094 -0.126 0.000 1.068 546 V CA 1.472 63.731 62.300 -0.069 0.000 1.070 546 V CB -0.295 31.519 31.823 -0.014 0.000 0.664 546 V HN 0.505 nan 8.190 nan 0.000 0.461 547 L N -0.029 121.185 121.223 -0.015 0.000 3.597 547 L HA -0.249 4.092 4.340 0.001 0.000 0.440 547 L C 0.266 177.294 176.870 0.264 0.000 1.277 547 L CA 0.863 55.756 54.840 0.088 0.000 0.852 547 L CB -2.429 39.693 42.059 0.104 0.000 1.708 547 L HN 0.583 nan 8.230 nan 0.000 0.885 548 H N -0.595 118.574 119.070 0.165 0.000 2.505 548 H HA 0.271 4.828 4.556 0.001 0.000 0.260 548 H C 0.466 175.933 175.328 0.232 0.000 1.168 548 H CA -1.099 55.091 56.048 0.237 0.000 0.945 548 H CB 0.740 30.681 29.762 0.299 0.000 1.800 548 H HN 0.204 nan 8.280 nan 0.000 0.586 549 L N 2.021 123.393 121.223 0.248 0.000 2.559 549 L HA 0.190 4.531 4.340 0.001 0.000 0.274 549 L C 0.595 177.601 176.870 0.227 0.000 1.205 549 L CA 0.765 55.702 54.840 0.161 0.000 0.907 549 L CB 0.241 42.359 42.059 0.099 0.000 1.153 549 L HN 0.308 nan 8.230 nan 0.000 0.490 550 G N 2.022 110.968 108.800 0.243 0.000 2.730 550 G HA2 0.536 4.497 3.960 0.001 0.000 0.289 550 G HA3 0.536 4.497 3.960 0.001 0.000 0.289 550 G C 0.334 175.342 174.900 0.180 0.000 1.341 550 G CA -0.296 44.965 45.100 0.269 0.000 0.932 550 G HN 1.309 nan 8.290 nan 0.000 0.481 551 G N -1.180 107.695 108.800 0.124 0.000 2.168 551 G HA2 -0.255 3.705 3.960 0.001 0.000 0.263 551 G HA3 -0.255 3.705 3.960 0.001 0.000 0.263 551 G C 1.351 176.310 174.900 0.099 0.000 0.977 551 G CA 1.669 46.842 45.100 0.122 0.000 0.659 551 G HN 1.864 nan 8.290 nan 0.000 0.533 552 T N -2.039 112.525 114.554 0.016 0.000 2.962 552 T HA 0.114 4.465 4.350 0.001 0.000 0.270 552 T C 1.070 175.844 174.700 0.123 0.000 1.088 552 T CA 1.852 64.000 62.100 0.080 0.000 1.127 552 T CB -0.283 68.639 68.868 0.089 0.000 0.883 552 T HN 1.482 nan 8.240 nan 0.000 0.493 553 H N -0.164 118.980 119.070 0.124 0.000 2.695 553 H HA 0.466 5.023 4.556 0.001 0.000 0.222 553 H C -0.127 175.243 175.328 0.071 0.000 1.412 553 H CA -1.351 54.746 56.048 0.082 0.000 1.347 553 H CB -0.294 29.482 29.762 0.022 0.000 1.858 553 H HN 0.346 nan 8.280 nan 0.000 0.519 554 R N 0.680 121.263 120.500 0.137 0.000 2.615 554 R HA 0.334 4.675 4.340 0.001 0.000 0.270 554 R C -0.342 176.017 176.300 0.098 0.000 1.081 554 R CA -0.762 55.392 56.100 0.089 0.000 1.154 554 R CB 1.025 31.369 30.300 0.074 0.000 1.063 554 R HN 0.459 nan 8.270 nan 0.000 0.519 555 M N 1.226 120.858 119.600 0.055 0.000 2.314 555 M HA 0.453 4.933 4.480 0.001 0.000 0.342 555 M C -0.550 175.745 176.300 -0.008 0.000 1.171 555 M CA 0.172 55.480 55.300 0.013 0.000 1.098 555 M CB 1.613 34.196 32.600 -0.028 0.000 1.559 555 M HN 0.952 nan 8.290 nan 0.000 0.459 556 G N 2.144 110.950 108.800 0.009 0.000 2.550 556 G HA2 0.410 4.371 3.960 0.001 0.000 0.293 556 G HA3 0.410 4.371 3.960 0.001 0.000 0.293 556 G C -0.919 173.991 174.900 0.016 0.000 1.402 556 G CA -0.679 44.383 45.100 -0.063 0.000 0.784 556 G HN 0.669 nan 8.290 nan 0.000 0.482 557 F N -0.016 120.036 119.950 0.170 0.000 2.187 557 F HA 0.244 4.772 4.527 0.003 0.000 0.295 557 F C 1.141 177.071 175.800 0.216 0.000 1.091 557 F CA 1.147 59.251 58.000 0.172 0.000 1.308 557 F CB 0.334 39.392 39.000 0.097 0.000 1.030 557 F HN 0.383 nan 8.300 nan 0.000 0.487 558 D N -0.947 119.611 120.400 0.263 0.000 2.629 558 D HA 0.130 4.771 4.640 0.001 0.000 0.250 558 D C 0.762 176.887 176.300 -0.291 0.000 1.126 558 D CA -0.243 53.753 54.000 -0.007 0.000 0.852 558 D CB 1.313 42.127 40.800 0.023 0.000 1.335 558 D HN 0.112 nan 8.370 nan 0.000 0.518 559 E N 3.274 122.938 120.200 -0.893 0.000 2.086 559 E HA -0.298 4.053 4.350 0.001 0.000 0.200 559 E C 1.266 177.677 176.600 -0.316 0.000 1.012 559 E CA 1.343 57.198 56.400 -0.907 0.000 0.812 559 E CB 0.262 29.318 29.700 -1.073 0.000 0.743 559 E HN 0.424 nan 8.360 nan 0.000 0.453 560 K N -0.024 120.241 120.400 -0.224 0.000 2.021 560 K HA -0.113 4.208 4.320 0.001 0.000 0.205 560 K C 2.124 178.690 176.600 -0.056 0.000 1.047 560 K CA 1.304 57.532 56.287 -0.098 0.000 0.943 560 K CB 0.046 32.504 32.500 -0.069 0.000 0.725 560 K HN 0.124 nan 8.250 nan 0.000 0.439 561 E N 0.286 120.457 120.200 -0.048 0.000 2.106 561 E HA -0.139 4.212 4.350 0.001 0.000 0.192 561 E C 0.746 177.343 176.600 -0.006 0.000 0.984 561 E CA 0.976 57.370 56.400 -0.009 0.000 0.806 561 E CB 0.165 29.872 29.700 0.012 0.000 0.750 561 E HN 0.317 nan 8.360 nan 0.000 0.458 562 D N 0.108 120.498 120.400 -0.017 0.000 2.363 562 D HA 0.052 4.693 4.640 0.001 0.000 0.214 562 D C -0.659 175.577 176.300 -0.107 0.000 1.093 562 D CA -0.014 53.972 54.000 -0.024 0.000 0.837 562 D CB 0.079 40.901 40.800 0.038 0.000 0.948 562 D HN 0.082 nan 8.370 nan 0.000 0.507 563 N N 0.664 119.299 118.700 -0.108 0.000 2.667 563 N HA -0.192 4.548 4.740 0.001 0.000 0.263 563 N C -0.259 175.175 175.510 -0.128 0.000 1.038 563 N CA 0.562 53.527 53.050 -0.141 0.000 0.749 563 N CB -1.417 36.870 38.487 -0.333 0.000 0.892 563 N HN 0.399 nan 8.380 nan 0.000 0.546 564 C N -3.291 116.010 119.300 0.000 0.000 3.285 564 C HA 0.784 5.244 4.460 0.001 0.000 0.320 564 C C 1.277 176.432 174.990 0.274 0.000 1.411 564 C CA -0.650 58.440 59.018 0.120 0.000 1.429 564 C CB 1.594 29.425 27.740 0.152 0.000 1.812 564 C HN 0.501 nan 8.230 nan 0.000 0.454 565 C N 0.181 119.684 119.300 0.338 0.000 3.095 565 C HA 0.502 4.962 4.460 0.001 0.000 0.472 565 C C 0.650 175.766 174.990 0.211 0.000 1.348 565 C CA 0.683 59.897 59.018 0.327 0.000 2.206 565 C CB -0.167 27.688 27.740 0.193 0.000 3.088 565 C HN 0.972 nan 8.230 nan 0.000 0.599 566 V N 1.402 121.323 119.914 0.011 0.000 2.914 566 V HA 0.716 4.837 4.120 0.001 0.000 0.314 566 V C -0.713 175.027 176.094 -0.589 0.000 1.084 566 V CA -0.622 61.433 62.300 -0.408 0.000 0.963 566 V CB 1.541 33.242 31.823 -0.203 0.000 1.025 566 V HN 0.422 nan 8.190 nan 0.000 0.432 567 N N 0.960 119.136 118.700 -0.874 0.000 2.431 567 N HA 0.263 5.004 4.740 0.001 0.000 0.289 567 N C 1.035 176.396 175.510 -0.247 0.000 1.277 567 N CA 0.253 53.012 53.050 -0.485 0.000 0.972 567 N CB -0.172 38.041 38.487 -0.457 0.000 1.143 567 N HN 0.926 nan 8.380 nan 0.000 0.578 568 T N -4.775 109.685 114.554 -0.158 0.000 3.160 568 T HA 0.034 4.385 4.350 0.001 0.000 0.257 568 T C 0.109 174.733 174.700 -0.127 0.000 1.147 568 T CA 0.543 62.556 62.100 -0.146 0.000 1.064 568 T CB -0.386 68.414 68.868 -0.114 0.000 0.949 568 T HN 0.424 nan 8.240 nan 0.000 0.526 569 D N 1.093 121.407 120.400 -0.144 0.000 2.339 569 D HA 0.174 4.815 4.640 0.001 0.000 0.217 569 D C 0.535 176.837 176.300 0.003 0.000 1.050 569 D CA 0.130 54.064 54.000 -0.110 0.000 0.856 569 D CB 0.128 40.739 40.800 -0.315 0.000 0.922 569 D HN 0.337 nan 8.370 nan 0.000 0.518 570 S N 0.225 115.893 115.700 -0.054 0.000 3.490 570 S HA -0.246 4.224 4.470 0.001 0.000 0.301 570 S C 0.517 175.094 174.600 -0.039 0.000 1.233 570 S CA 0.394 58.597 58.200 0.005 0.000 0.914 570 S CB -1.355 61.927 63.200 0.136 0.000 1.047 570 S HN 0.456 nan 8.310 nan 0.000 0.602 571 R N 1.181 121.529 120.500 -0.253 0.000 2.297 571 R HA 0.475 4.815 4.340 0.001 0.000 0.308 571 R C -0.047 175.933 176.300 -0.535 0.000 1.029 571 R CA -0.421 55.338 56.100 -0.568 0.000 0.929 571 R CB 0.693 30.618 30.300 -0.625 0.000 1.046 571 R HN 0.138 nan 8.270 nan 0.000 0.461 572 V N 6.158 125.795 119.914 -0.462 0.000 2.529 572 V HA 0.011 4.132 4.120 0.001 0.000 0.292 572 V C 0.171 176.212 176.094 -0.089 0.000 1.028 572 V CA 0.193 62.319 62.300 -0.291 0.000 1.074 572 V CB -0.079 31.554 31.823 -0.318 0.000 0.958 572 V HN 0.570 nan 8.190 nan 0.000 0.481 573 F N 3.910 123.895 119.950 0.058 0.000 2.623 573 F HA 0.397 4.925 4.527 0.001 0.000 0.383 573 F C 1.557 177.480 175.800 0.205 0.000 1.077 573 F CA 1.576 59.635 58.000 0.099 0.000 1.268 573 F CB 0.040 39.093 39.000 0.087 0.000 1.053 573 F HN 0.793 nan 8.300 nan 0.000 0.571 574 G N 2.274 111.252 108.800 0.296 0.000 2.241 574 G HA2 -0.291 3.670 3.960 0.001 0.000 0.244 574 G HA3 -0.291 3.670 3.960 0.001 0.000 0.244 574 G C -0.152 174.700 174.900 -0.080 0.000 0.998 574 G CA -0.510 44.658 45.100 0.114 0.000 0.621 574 G HN 0.442 nan 8.290 nan 0.000 0.519 575 F N 1.269 121.245 119.950 0.043 0.000 2.444 575 F HA 0.567 5.095 4.527 0.002 0.000 0.342 575 F C 1.425 177.213 175.800 -0.019 0.000 1.121 575 F CA -0.831 57.183 58.000 0.022 0.000 0.997 575 F CB 1.727 40.739 39.000 0.021 0.000 1.130 575 F HN -0.149 nan 8.300 nan 0.000 0.454 576 K N 1.431 121.934 120.400 0.173 0.000 2.148 576 K HA -0.101 4.220 4.320 0.001 0.000 0.204 576 K C 0.729 177.549 176.600 0.366 0.000 1.050 576 K CA 1.298 57.725 56.287 0.233 0.000 0.942 576 K CB 0.026 32.667 32.500 0.235 0.000 0.724 576 K HN 0.602 nan 8.250 nan 0.000 0.446 577 N N 0.086 118.966 118.700 0.300 0.000 2.305 577 N HA 0.038 4.779 4.740 0.001 0.000 0.248 577 N C -0.766 174.864 175.510 0.199 0.000 1.290 577 N CA -0.298 52.973 53.050 0.369 0.000 0.873 577 N CB 0.103 38.843 38.487 0.421 0.000 1.261 577 N HN -0.045 nan 8.380 nan 0.000 0.504 578 L N 0.653 121.767 121.223 -0.181 0.000 2.356 578 L HA 0.721 5.062 4.340 0.001 0.000 0.277 578 L C -1.808 174.679 176.870 -0.638 0.000 0.996 578 L CA -0.634 54.078 54.840 -0.213 0.000 0.822 578 L CB 0.921 42.843 42.059 -0.228 0.000 1.256 578 L HN -0.036 nan 8.230 nan 0.000 0.413 579 F N 4.807 124.673 119.950 -0.139 0.000 2.576 579 F HA 0.679 5.207 4.527 0.001 0.000 0.313 579 F C -0.664 174.984 175.800 -0.253 0.000 1.078 579 F CA -0.729 57.171 58.000 -0.167 0.000 0.921 579 F CB 1.857 40.791 39.000 -0.110 0.000 1.232 579 F HN 0.194 nan 8.300 nan 0.000 0.459 580 L N 1.692 122.875 121.223 -0.066 0.000 2.365 580 L HA 0.889 5.230 4.340 0.001 0.000 0.273 580 L C -0.014 176.855 176.870 -0.001 0.000 1.000 580 L CA -0.821 53.904 54.840 -0.192 0.000 0.819 580 L CB 1.998 43.787 42.059 -0.451 0.000 1.284 580 L HN 0.794 nan 8.230 nan 0.000 0.418 581 G N 0.368 109.180 108.800 0.019 0.000 2.524 581 G HA2 0.804 4.764 3.960 0.001 0.000 0.310 581 G HA3 0.804 4.764 3.960 0.001 0.000 0.310 581 G C -0.506 174.513 174.900 0.198 0.000 1.279 581 G CA -0.296 44.921 45.100 0.195 0.000 0.974 581 G HN 0.965 nan 8.290 nan 0.000 0.484 582 G N -1.208 107.707 108.800 0.191 0.000 2.353 582 G HA2 0.071 4.032 3.960 0.001 0.000 0.424 582 G HA3 0.071 4.032 3.960 0.001 0.000 0.424 582 G C 0.742 175.698 174.900 0.093 0.000 1.320 582 G CA 0.060 45.249 45.100 0.149 0.000 0.995 582 G HN 1.130 nan 8.290 nan 0.000 0.580 583 C N 0.547 119.880 119.300 0.055 0.000 2.419 583 C HA 0.184 4.644 4.460 0.001 0.000 0.283 583 C C 3.002 177.976 174.990 -0.026 0.000 1.373 583 C CA 1.859 60.888 59.018 0.019 0.000 1.781 583 C CB -1.302 26.481 27.740 0.072 0.000 1.886 583 C HN 1.249 nan 8.230 nan 0.000 0.520 584 G N 0.938 109.632 108.800 -0.177 0.000 2.498 584 G HA2 -0.194 3.767 3.960 0.001 0.000 0.219 584 G HA3 -0.194 3.767 3.960 0.001 0.000 0.219 584 G C 1.427 175.985 174.900 -0.570 0.000 1.119 584 G CA 0.623 45.365 45.100 -0.598 0.000 0.766 584 G HN 0.540 nan 8.290 nan 0.000 0.552 585 N N 0.341 118.920 118.700 -0.202 0.000 2.331 585 N HA 0.024 4.764 4.740 0.001 0.000 0.180 585 N C 0.900 176.424 175.510 0.024 0.000 1.019 585 N CA 0.172 53.237 53.050 0.025 0.000 0.881 585 N CB 0.039 38.588 38.487 0.103 0.000 0.972 585 N HN 0.294 nan 8.380 nan 0.000 0.435 586 I N 3.075 123.658 120.570 0.023 0.000 2.436 586 I HA 0.040 4.211 4.170 0.001 0.000 0.289 586 I C -1.358 174.848 176.117 0.148 0.000 1.083 586 I CA -0.998 60.341 61.300 0.064 0.000 1.372 586 I CB 1.296 39.282 38.000 -0.024 0.000 1.408 586 I HN -0.055 nan 8.210 nan 0.000 0.516 587 P HA 0.060 nan 4.420 nan 0.000 0.267 587 P C 0.238 177.626 177.300 0.148 0.000 1.289 587 P CA 0.218 63.387 63.100 0.115 0.000 0.866 587 P CB 0.214 31.941 31.700 0.044 0.000 1.309 588 T N -2.269 112.409 114.554 0.207 0.000 2.912 588 T HA 0.686 5.037 4.350 0.001 0.000 0.280 588 T C 0.169 175.003 174.700 0.223 0.000 0.989 588 T CA -0.892 61.317 62.100 0.182 0.000 0.995 588 T CB 1.265 70.222 68.868 0.147 0.000 1.077 588 T HN 0.050 nan 8.240 nan 0.000 0.531 589 A N 1.849 124.734 122.820 0.109 0.000 2.350 589 A HA 0.596 4.917 4.320 0.001 0.000 0.293 589 A C -0.627 176.923 177.584 -0.056 0.000 1.231 589 A CA -0.811 51.238 52.037 0.021 0.000 0.883 589 A CB -0.966 18.067 19.000 0.056 0.000 1.133 589 A HN 0.869 nan 8.150 nan 0.000 0.533 590 Y N -0.275 119.939 120.300 -0.143 0.000 2.512 590 Y HA 0.717 5.268 4.550 0.001 0.000 0.348 590 Y C 0.717 176.488 175.900 -0.214 0.000 0.990 590 Y CA -0.700 57.126 58.100 -0.457 0.000 1.033 590 Y CB 1.404 39.371 38.460 -0.821 0.000 1.259 590 Y HN 0.380 nan 8.280 nan 0.000 0.461 591 G N 0.748 109.448 108.800 -0.167 0.000 2.673 591 G HA2 0.379 4.340 3.960 0.001 0.000 0.208 591 G HA3 0.379 4.340 3.960 0.001 0.000 0.208 591 G C 0.467 175.464 174.900 0.161 0.000 1.128 591 G CA 0.172 45.392 45.100 0.201 0.000 0.805 591 G HN 0.959 nan 8.290 nan 0.000 0.526 592 A N 0.795 123.518 122.820 -0.161 0.000 2.386 592 A HA 0.456 4.776 4.320 0.001 0.000 0.246 592 A C -0.061 177.423 177.584 -0.167 0.000 1.089 592 A CA -0.435 51.399 52.037 -0.338 0.000 0.790 592 A CB 0.017 18.806 19.000 -0.351 0.000 1.042 592 A HN 0.375 nan 8.150 nan 0.000 0.497 593 N N 1.937 120.411 118.700 -0.377 0.000 2.483 593 N HA 0.252 4.993 4.740 0.001 0.000 0.264 593 N C -2.044 173.373 175.510 -0.154 0.000 1.197 593 N CA -1.006 51.795 53.050 -0.415 0.000 0.927 593 N CB 0.399 38.708 38.487 -0.297 0.000 1.065 593 N HN 0.399 nan 8.380 nan 0.000 0.461 594 P HA -0.015 nan 4.420 nan 0.000 0.235 594 P C 0.531 177.731 177.300 -0.167 0.000 1.177 594 P CA 0.698 63.695 63.100 -0.172 0.000 0.785 594 P CB 0.282 31.843 31.700 -0.232 0.000 0.885 595 T N 1.112 115.640 114.554 -0.043 0.000 2.720 595 T HA -0.156 4.195 4.350 0.001 0.000 0.268 595 T C 1.780 176.563 174.700 0.139 0.000 1.037 595 T CA 1.130 63.265 62.100 0.060 0.000 1.144 595 T CB -0.899 68.029 68.868 0.101 0.000 0.864 595 T HN 0.023 nan 8.240 nan 0.000 0.444 596 L N 1.055 122.378 121.223 0.165 0.000 2.042 596 L HA -0.127 4.214 4.340 0.001 0.000 0.210 596 L C 2.525 179.480 176.870 0.142 0.000 1.076 596 L CA 1.836 56.828 54.840 0.253 0.000 0.749 596 L CB -1.104 41.074 42.059 0.199 0.000 0.893 596 L HN 0.204 nan 8.230 nan 0.000 0.432 597 T N -0.348 114.158 114.554 -0.080 0.000 2.746 597 T HA -0.154 4.196 4.350 0.001 0.000 0.267 597 T C 1.899 176.519 174.700 -0.133 0.000 1.039 597 T CA 1.311 63.270 62.100 -0.236 0.000 1.142 597 T CB -0.541 67.740 68.868 -0.977 0.000 0.866 597 T HN 0.530 nan 8.240 nan 0.000 0.444 598 A N 1.424 124.170 122.820 -0.123 0.000 1.933 598 A HA -0.059 4.262 4.320 0.001 0.000 0.218 598 A C 2.312 179.869 177.584 -0.045 0.000 1.175 598 A CA 1.794 53.798 52.037 -0.056 0.000 0.628 598 A CB -0.734 18.253 19.000 -0.022 0.000 0.814 598 A HN 0.523 nan 8.150 nan 0.000 0.444 599 M N -0.311 119.271 119.600 -0.029 0.000 2.117 599 M HA -0.152 4.329 4.480 0.001 0.000 0.262 599 M C 2.163 178.377 176.300 -0.144 0.000 1.065 599 M CA 2.117 57.370 55.300 -0.078 0.000 1.114 599 M CB -0.157 32.406 32.600 -0.061 0.000 1.361 599 M HN 0.377 nan 8.290 nan 0.000 0.408 600 S N 1.061 116.681 115.700 -0.134 0.000 2.370 600 S HA -0.134 4.336 4.470 0.001 0.000 0.226 600 S C 1.747 176.158 174.600 -0.314 0.000 1.033 600 S CA 1.440 59.493 58.200 -0.245 0.000 1.011 600 S CB -0.526 62.492 63.200 -0.302 0.000 0.852 600 S HN 0.513 nan 8.310 nan 0.000 0.457 601 L N 0.988 122.068 121.223 -0.238 0.000 2.093 601 L HA -0.107 4.234 4.340 0.001 0.000 0.208 601 L C 2.773 179.513 176.870 -0.216 0.000 1.085 601 L CA 1.105 55.808 54.840 -0.228 0.000 0.755 601 L CB -0.699 41.297 42.059 -0.105 0.000 0.904 601 L HN 0.322 nan 8.230 nan 0.000 0.435 602 A N 0.359 123.043 122.820 -0.226 0.000 1.933 602 A HA -0.171 4.150 4.320 0.001 0.000 0.218 602 A C 2.216 179.474 177.584 -0.542 0.000 1.175 602 A CA 1.422 53.202 52.037 -0.428 0.000 0.628 602 A CB -0.603 18.147 19.000 -0.416 0.000 0.814 602 A HN 0.335 nan 8.150 nan 0.000 0.444 603 I N -0.478 119.869 120.570 -0.371 0.000 2.179 603 I HA -0.282 3.889 4.170 0.001 0.000 0.242 603 I C 2.545 178.494 176.117 -0.280 0.000 1.088 603 I CA 1.957 63.072 61.300 -0.309 0.000 1.357 603 I CB -0.188 37.644 38.000 -0.280 0.000 1.051 603 I HN 0.393 nan 8.210 nan 0.000 0.409 604 K N 0.396 120.629 120.400 -0.279 0.000 2.057 604 K HA -0.203 4.118 4.320 0.001 0.000 0.207 604 K C 2.338 178.851 176.600 -0.144 0.000 1.049 604 K CA 1.713 57.868 56.287 -0.221 0.000 0.931 604 K CB -0.127 32.208 32.500 -0.276 0.000 0.714 604 K HN 0.110 nan 8.250 nan 0.000 0.440 605 S N -0.050 115.549 115.700 -0.168 0.000 2.370 605 S HA -0.171 4.300 4.470 0.001 0.000 0.226 605 S C 1.994 176.505 174.600 -0.149 0.000 1.033 605 S CA 1.475 59.623 58.200 -0.087 0.000 1.011 605 S CB -0.463 62.728 63.200 -0.014 0.000 0.852 605 S HN 0.578 nan 8.310 nan 0.000 0.457 606 C N 1.376 120.500 119.300 -0.292 0.000 2.435 606 C HA 0.055 4.516 4.460 0.001 0.000 0.279 606 C C 2.478 177.384 174.990 -0.140 0.000 1.321 606 C CA 0.514 59.371 59.018 -0.268 0.000 1.752 606 C CB -1.372 26.171 27.740 -0.328 0.000 1.959 606 C HN 0.678 nan 8.230 nan 0.000 0.500 607 E N -0.492 119.649 120.200 -0.099 0.000 2.077 607 E HA -0.240 4.111 4.350 0.001 0.000 0.193 607 E C 1.822 178.429 176.600 0.011 0.000 0.989 607 E CA 1.381 57.754 56.400 -0.045 0.000 0.800 607 E CB -0.305 29.364 29.700 -0.052 0.000 0.746 607 E HN 0.817 nan 8.360 nan 0.000 0.452 608 Y N 1.428 121.695 120.300 -0.055 0.000 2.114 608 Y HA -0.246 4.305 4.550 0.001 0.000 0.284 608 Y C 2.035 177.969 175.900 0.057 0.000 1.143 608 Y CA 1.594 59.706 58.100 0.019 0.000 1.135 608 Y CB -0.150 38.361 38.460 0.084 0.000 0.980 608 Y HN -0.067 nan 8.280 nan 0.000 0.499 609 I N 0.473 121.088 120.570 0.076 0.000 2.151 609 I HA -0.380 3.790 4.170 0.001 0.000 0.243 609 I C 2.360 178.521 176.117 0.074 0.000 1.080 609 I CA 1.822 63.155 61.300 0.054 0.000 1.339 609 I CB -0.462 37.350 38.000 -0.312 0.000 1.039 609 I HN 0.205 nan 8.210 nan 0.000 0.409 610 K N 0.367 120.765 120.400 -0.003 0.000 2.152 610 K HA -0.227 4.094 4.320 0.001 0.000 0.206 610 K C 1.995 178.637 176.600 0.070 0.000 1.048 610 K CA 1.376 57.733 56.287 0.115 0.000 0.933 610 K CB -0.184 32.361 32.500 0.075 0.000 0.721 610 K HN 0.508 nan 8.250 nan 0.000 0.447 611 Q N -0.336 119.429 119.800 -0.057 0.000 2.424 611 Q HA 0.051 4.392 4.340 0.001 0.000 0.204 611 Q C 1.017 176.892 176.000 -0.208 0.000 0.933 611 Q CA 0.497 56.226 55.803 -0.123 0.000 0.929 611 Q CB 0.382 29.030 28.738 -0.150 0.000 1.037 611 Q HN 0.285 nan 8.270 nan 0.000 0.511 612 N N -0.948 117.584 118.700 -0.280 0.000 2.166 612 N HA 0.155 4.895 4.740 0.001 0.000 0.213 612 N C -0.959 174.116 175.510 -0.725 0.000 1.222 612 N CA 0.237 52.972 53.050 -0.526 0.000 0.900 612 N CB 1.039 39.042 38.487 -0.806 0.000 1.055 612 N HN 0.004 nan 8.380 nan 0.000 0.515 613 F N 0.546 120.517 119.950 0.034 0.000 2.569 613 F HA 0.332 4.860 4.527 0.002 0.000 0.312 613 F C 0.034 175.964 175.800 0.216 0.000 1.109 613 F CA -0.664 57.420 58.000 0.139 0.000 0.919 613 F CB 1.869 40.970 39.000 0.168 0.000 1.211 613 F HN -0.370 nan 8.300 nan 0.000 0.446 614 T N 4.021 118.736 114.554 0.269 0.000 2.767 614 T HA 0.411 4.762 4.350 0.001 0.000 0.284 614 T C -2.575 172.103 174.700 -0.037 0.000 0.973 614 T CA -1.471 60.669 62.100 0.066 0.000 0.996 614 T CB 1.086 69.965 68.868 0.019 0.000 0.927 614 T HN 0.122 nan 8.240 nan 0.000 0.456 615 P HA 0.128 nan 4.420 nan 0.000 0.266 615 P C 0.093 177.292 177.300 -0.167 0.000 1.195 615 P CA -0.412 62.388 63.100 -0.500 0.000 0.768 615 P CB 0.289 31.541 31.700 -0.747 0.000 0.838 616 S N 3.128 118.782 115.700 -0.077 0.000 2.584 616 S HA 0.293 4.764 4.470 0.001 0.000 0.270 616 S C -2.204 172.387 174.600 -0.015 0.000 1.346 616 S CA -0.956 57.229 58.200 -0.025 0.000 1.018 616 S CB -0.869 62.327 63.200 -0.008 0.000 0.899 616 S HN 0.275 nan 8.310 nan 0.000 0.542 617 P HA 0.176 nan 4.420 nan 0.000 0.276 617 P C -0.655 176.726 177.300 0.136 0.000 1.235 617 P CA -0.514 62.619 63.100 0.054 0.000 0.772 617 P CB 0.050 31.773 31.700 0.039 0.000 0.871 618 F N 3.823 123.755 119.950 -0.030 0.000 2.613 618 F HA 0.131 4.659 4.527 0.001 0.000 0.341 618 F C 0.763 176.553 175.800 -0.017 0.000 1.288 618 F CA -0.152 57.836 58.000 -0.020 0.000 1.103 618 F CB -1.069 37.922 39.000 -0.015 0.000 1.423 618 F HN 0.164 nan 8.300 nan 0.000 0.651 619 T N 0.000 114.775 114.554 0.368 0.000 3.816 619 T HA 0.000 4.351 4.350 0.001 0.000 0.228 619 T CA 0.000 62.210 62.100 0.184 0.000 1.349 619 T CB 0.000 68.931 68.868 0.104 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658