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_H 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 0.000 176.277 176.300 -0.039 0.000 1.140 43 M CA 0.000 55.313 55.300 0.022 0.000 0.988 43 M CB 0.000 32.418 32.600 -0.303 0.000 1.302 44 D N 3.479 123.880 120.400 0.001 0.000 2.362 44 D HA 0.185 4.825 4.640 0.000 0.000 0.238 44 D C 1.124 177.367 176.300 -0.094 0.000 1.212 44 D CA 0.072 53.998 54.000 -0.123 0.000 0.902 44 D CB 0.754 41.341 40.800 -0.355 0.000 1.180 44 D HN 0.667 nan 8.370 nan 0.000 0.445 45 I N -2.666 117.846 120.570 -0.097 0.000 3.976 45 I HA 0.260 4.430 4.170 0.000 0.000 0.337 45 I C 0.149 176.249 176.117 -0.029 0.000 1.359 45 I CA -0.451 60.850 61.300 0.001 0.000 1.098 45 I CB -0.412 37.618 38.000 0.050 0.000 1.027 45 I HN -0.022 nan 8.210 nan 0.000 0.394 46 K N 0.995 121.229 120.400 -0.276 0.000 2.413 46 K HA 0.599 4.919 4.320 0.000 0.000 0.257 46 K C -1.854 174.398 176.600 -0.580 0.000 0.946 46 K CA -0.523 55.612 56.287 -0.253 0.000 0.823 46 K CB 0.899 33.313 32.500 -0.143 0.000 1.109 46 K HN 0.128 nan 8.250 nan 0.000 0.427 47 Y N 1.081 121.368 120.300 -0.021 0.000 2.633 47 Y HA 0.281 4.831 4.550 0.000 0.000 0.339 47 Y C 0.771 176.642 175.900 -0.048 0.000 1.045 47 Y CA -0.789 57.289 58.100 -0.037 0.000 1.098 47 Y CB 1.747 40.181 38.460 -0.044 0.000 1.296 47 Y HN 0.582 nan 8.280 nan 0.000 0.494 48 D N 0.057 120.536 120.400 0.132 0.000 2.103 48 D HA 0.027 4.667 4.640 0.000 0.000 0.199 48 D C -0.305 175.986 176.300 -0.013 0.000 0.978 48 D CA 1.452 55.513 54.000 0.102 0.000 0.829 48 D CB 0.253 41.185 40.800 0.220 0.000 0.981 48 D HN 0.114 nan 8.370 nan 0.000 0.464 49 V N 1.038 120.938 119.914 -0.024 0.000 2.638 49 V HA 0.382 4.502 4.120 0.000 0.000 0.306 49 V C -0.341 175.657 176.094 -0.161 0.000 1.052 49 V CA -1.071 61.120 62.300 -0.181 0.000 0.885 49 V CB 2.523 34.212 31.823 -0.224 0.000 0.999 49 V HN -0.006 nan 8.190 nan 0.000 0.424 50 V N 2.924 122.699 119.914 -0.232 0.000 2.555 50 V HA 0.768 4.888 4.120 0.000 0.000 0.302 50 V C -0.707 175.328 176.094 -0.098 0.000 1.038 50 V CA -0.568 61.654 62.300 -0.130 0.000 0.887 50 V CB 1.709 33.522 31.823 -0.016 0.000 0.991 50 V HN 0.699 nan 8.190 nan 0.000 0.434 51 I N 4.446 124.988 120.570 -0.047 0.000 2.436 51 I HA 0.471 4.641 4.170 0.000 0.000 0.289 51 I C -0.609 175.531 176.117 0.039 0.000 1.010 51 I CA -0.915 60.341 61.300 -0.073 0.000 1.098 51 I CB 2.302 40.241 38.000 -0.101 0.000 1.266 51 I HN 0.459 nan 8.210 nan 0.000 0.434 52 V N 5.649 125.571 119.914 0.013 0.000 2.348 52 V HA 0.789 4.909 4.120 0.000 0.000 0.270 52 V C 0.482 176.583 176.094 0.011 0.000 1.037 52 V CA -0.254 62.075 62.300 0.048 0.000 0.872 52 V CB 0.470 32.296 31.823 0.005 0.000 1.002 52 V HN 1.059 nan 8.190 nan 0.000 0.464 53 G N 3.938 112.759 108.800 0.036 0.000 2.906 53 G HA2 0.012 3.972 3.960 0.000 0.000 0.686 53 G HA3 0.012 3.972 3.960 0.000 0.000 0.686 53 G C -0.088 174.826 174.900 0.024 0.000 1.170 53 G CA -0.250 44.862 45.100 0.021 0.000 0.775 53 G HN 1.295 nan 8.290 nan 0.000 0.630 54 S N 0.935 116.652 115.700 0.028 0.000 2.651 54 S HA 0.618 5.088 4.470 0.000 0.000 0.246 54 S C 1.250 175.863 174.600 0.021 0.000 1.039 54 S CA 0.731 58.953 58.200 0.038 0.000 1.013 54 S CB 0.579 63.812 63.200 0.055 0.000 0.861 54 S HN 1.942 nan 8.310 nan 0.000 0.485 55 G N 2.638 111.442 108.800 0.007 0.000 2.570 55 G HA2 0.408 4.368 3.960 0.000 0.000 0.276 55 G HA3 0.408 4.368 3.960 0.000 0.000 0.276 55 G C -1.200 173.683 174.900 -0.027 0.000 1.346 55 G CA -1.290 43.800 45.100 -0.017 0.000 1.034 55 G HN 0.247 nan 8.290 nan 0.000 0.512 56 P HA -0.064 nan 4.420 nan 0.000 0.220 56 P C 1.746 178.997 177.300 -0.083 0.000 1.148 56 P CA 0.753 63.810 63.100 -0.070 0.000 0.803 56 P CB 0.177 31.848 31.700 -0.048 0.000 0.782 57 I N 0.129 120.682 120.570 -0.029 0.000 2.277 57 I HA -0.039 4.131 4.170 0.000 0.000 0.243 57 I C 2.706 178.880 176.117 0.095 0.000 1.094 57 I CA 1.553 62.866 61.300 0.023 0.000 1.393 57 I CB -2.303 35.736 38.000 0.065 0.000 1.078 57 I HN -0.002 nan 8.210 nan 0.000 0.417 58 G N 0.386 109.221 108.800 0.059 0.000 2.440 58 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 58 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 58 G C 1.748 176.645 174.900 -0.006 0.000 1.154 58 G CA 1.107 46.230 45.100 0.038 0.000 0.767 58 G HN 0.421 nan 8.290 nan 0.000 0.552 59 C N 0.634 119.906 119.300 -0.046 0.000 2.432 59 C HA 0.062 4.522 4.460 0.000 0.000 0.282 59 C C 3.153 178.012 174.990 -0.219 0.000 1.388 59 C CA 1.290 60.236 59.018 -0.121 0.000 1.777 59 C CB -0.958 26.762 27.740 -0.034 0.000 1.882 59 C HN 0.453 nan 8.230 nan 0.000 0.520 60 T N -0.037 114.416 114.554 -0.168 0.000 2.737 60 T HA -0.134 4.216 4.350 0.000 0.000 0.265 60 T C 1.475 176.024 174.700 -0.253 0.000 1.038 60 T CA 1.499 63.467 62.100 -0.219 0.000 1.144 60 T CB -0.398 68.362 68.868 -0.181 0.000 0.866 60 T HN 0.537 nan 8.240 nan 0.000 0.434 61 Y N 1.658 121.816 120.300 -0.236 0.000 2.128 61 Y HA -0.089 4.461 4.550 0.000 0.000 0.284 61 Y C 2.791 178.472 175.900 -0.364 0.000 1.154 61 Y CA 0.999 58.938 58.100 -0.267 0.000 1.149 61 Y CB -0.753 37.567 38.460 -0.233 0.000 0.976 61 Y HN 0.194 nan 8.280 nan 0.000 0.505 62 A N 0.239 122.873 122.820 -0.311 0.000 1.865 62 A HA -0.277 4.043 4.320 0.000 0.000 0.217 62 A C 2.293 179.298 177.584 -0.964 0.000 1.191 62 A CA 2.061 53.660 52.037 -0.729 0.000 0.623 62 A CB -0.845 17.492 19.000 -1.105 0.000 0.826 62 A HN 0.449 nan 8.150 nan 0.000 0.444 63 R N -0.571 119.426 120.500 -0.838 0.000 2.083 63 R HA -0.172 4.168 4.340 0.000 0.000 0.237 63 R C 2.050 178.144 176.300 -0.345 0.000 1.137 63 R CA 1.794 57.559 56.100 -0.559 0.000 0.951 63 R CB -0.238 29.758 30.300 -0.508 0.000 0.851 63 R HN 0.575 nan 8.270 nan 0.000 0.434 64 E N 0.320 120.349 120.200 -0.285 0.000 2.072 64 E HA -0.149 4.201 4.350 0.000 0.000 0.190 64 E C 2.127 178.662 176.600 -0.108 0.000 0.982 64 E CA 1.114 57.421 56.400 -0.154 0.000 0.803 64 E CB -0.017 29.586 29.700 -0.162 0.000 0.755 64 E HN 0.418 nan 8.360 nan 0.000 0.453 65 L N 0.202 121.330 121.223 -0.157 0.000 2.168 65 L HA -0.055 4.285 4.340 0.000 0.000 0.203 65 L C 2.549 179.456 176.870 0.062 0.000 1.078 65 L CA 0.281 55.080 54.840 -0.069 0.000 0.780 65 L CB -0.364 41.543 42.059 -0.253 0.000 0.939 65 L HN -0.065 nan 8.230 nan 0.000 0.451 66 V N 0.744 120.602 119.914 -0.094 0.000 2.332 66 V HA -0.253 3.867 4.120 0.000 0.000 0.248 66 V C 2.631 178.740 176.094 0.025 0.000 1.055 66 V CA 2.190 64.471 62.300 -0.031 0.000 1.038 66 V CB -1.331 30.401 31.823 -0.152 0.000 0.651 66 V HN 0.585 nan 8.190 nan 0.000 0.450 67 G N -0.639 108.155 108.800 -0.010 0.000 2.432 67 G HA2 -0.125 3.835 3.960 0.000 0.000 0.219 67 G HA3 -0.125 3.835 3.960 0.000 0.000 0.219 67 G C 1.478 176.404 174.900 0.043 0.000 1.135 67 G CA 0.798 45.909 45.100 0.019 0.000 0.767 67 G HN 0.652 nan 8.290 nan 0.000 0.550 68 A N -0.367 122.503 122.820 0.085 0.000 2.238 68 A HA 0.480 4.800 4.320 0.000 0.000 0.208 68 A C 1.930 179.519 177.584 0.008 0.000 1.177 68 A CA 1.210 53.308 52.037 0.102 0.000 0.804 68 A CB -0.458 18.689 19.000 0.246 0.000 0.823 68 A HN 1.561 nan 8.150 nan 0.000 0.482 69 G N -2.192 106.619 108.800 0.019 0.000 2.141 69 G HA2 -0.280 3.681 3.960 0.000 0.000 0.242 69 G HA3 -0.280 3.681 3.960 0.000 0.000 0.242 69 G C -0.037 174.785 174.900 -0.131 0.000 0.982 69 G CA 0.157 45.223 45.100 -0.057 0.000 0.662 69 G HN 0.423 nan 8.290 nan 0.000 0.527 70 Y N 0.438 120.726 120.300 -0.020 0.000 2.397 70 Y HA 0.394 4.944 4.550 0.000 0.000 0.335 70 Y C 1.149 177.029 175.900 -0.033 0.000 1.213 70 Y CA 0.198 58.283 58.100 -0.025 0.000 1.391 70 Y CB 0.720 39.158 38.460 -0.038 0.000 1.293 70 Y HN 0.087 nan 8.280 nan 0.000 0.557 71 K N 3.085 123.554 120.400 0.116 0.000 2.292 71 K HA 0.386 4.706 4.320 0.000 0.000 0.290 71 K C -1.544 175.152 176.600 0.160 0.000 1.083 71 K CA -0.169 56.166 56.287 0.080 0.000 0.918 71 K CB 0.031 32.542 32.500 0.019 0.000 1.089 71 K HN 0.492 nan 8.250 nan 0.000 0.473 72 V N 3.273 123.260 119.914 0.120 0.000 2.435 72 V HA 0.564 4.684 4.120 0.000 0.000 0.290 72 V C -0.128 175.844 176.094 -0.203 0.000 1.030 72 V CA -0.942 61.377 62.300 0.032 0.000 0.881 72 V CB 1.359 33.247 31.823 0.108 0.000 0.983 72 V HN 0.876 nan 8.190 nan 0.000 0.445 73 A N 5.656 128.184 122.820 -0.486 0.000 2.340 73 A HA 0.948 5.268 4.320 0.000 0.000 0.331 73 A C -0.621 176.602 177.584 -0.602 0.000 1.140 73 A CA -0.650 50.871 52.037 -0.860 0.000 0.801 73 A CB 1.578 19.710 19.000 -1.447 0.000 1.234 73 A HN 0.927 nan 8.150 nan 0.000 0.469 74 M N 2.235 121.393 119.600 -0.737 0.000 2.327 74 M HA 0.719 5.199 4.480 0.000 0.000 0.298 74 M C -2.216 173.736 176.300 -0.579 0.000 1.065 74 M CA -0.391 54.672 55.300 -0.395 0.000 0.916 74 M CB 1.181 33.758 32.600 -0.039 0.000 1.630 74 M HN 0.591 nan 8.290 nan 0.000 0.442 75 F N 2.424 122.356 119.950 -0.029 0.000 2.495 75 F HA 0.575 5.102 4.527 0.000 0.000 0.327 75 F C -0.130 175.659 175.800 -0.019 0.000 1.103 75 F CA -0.485 57.516 58.000 0.000 0.000 0.949 75 F CB 1.472 40.451 39.000 -0.036 0.000 1.142 75 F HN 0.462 nan 8.300 nan 0.000 0.457 76 D N 2.819 123.303 120.400 0.141 0.000 2.879 76 D HA 0.223 4.863 4.640 0.000 0.000 0.236 76 D C 0.434 176.752 176.300 0.029 0.000 1.171 76 D CA -0.343 53.691 54.000 0.058 0.000 0.868 76 D CB 2.515 43.332 40.800 0.029 0.000 1.598 76 D HN 0.655 nan 8.370 nan 0.000 0.497 77 I N 1.979 122.520 120.570 -0.048 0.000 2.676 77 I HA 0.050 4.220 4.170 0.000 0.000 0.259 77 I C 1.105 177.177 176.117 -0.074 0.000 1.194 77 I CA 0.752 61.984 61.300 -0.114 0.000 1.473 77 I CB 0.163 37.980 38.000 -0.306 0.000 1.096 77 I HN 0.337 nan 8.210 nan 0.000 0.443 78 G N -0.101 108.672 108.800 -0.045 0.000 2.532 78 G HA2 0.412 4.372 3.960 0.000 0.000 0.291 78 G HA3 0.412 4.372 3.960 0.000 0.000 0.291 78 G C -0.873 174.037 174.900 0.018 0.000 1.349 78 G CA -0.430 44.668 45.100 -0.004 0.000 1.038 78 G HN 0.300 nan 8.290 nan 0.000 0.518 79 E N -1.426 118.790 120.200 0.026 0.000 2.339 79 E HA 0.371 4.721 4.350 0.000 0.000 0.262 79 E C -0.486 176.131 176.600 0.028 0.000 0.934 79 E CA -0.785 55.632 56.400 0.029 0.000 0.802 79 E CB 2.533 32.254 29.700 0.034 0.000 1.275 79 E HN 0.264 nan 8.360 nan 0.000 0.427 80 I N 2.573 123.158 120.570 0.026 0.000 2.587 80 I HA -0.027 4.143 4.170 0.000 0.000 0.284 80 I C -0.056 176.083 176.117 0.037 0.000 1.134 80 I CA 0.781 62.098 61.300 0.028 0.000 1.410 80 I CB 0.075 38.086 38.000 0.020 0.000 1.392 80 I HN 0.553 nan 8.210 nan 0.000 0.545 81 D N 2.792 123.220 120.400 0.047 0.000 3.120 81 D HA 0.018 4.658 4.640 0.000 0.000 0.331 81 D C -0.386 175.961 176.300 0.079 0.000 1.595 81 D CA -0.332 53.702 54.000 0.058 0.000 0.771 81 D CB -0.188 40.643 40.800 0.051 0.000 1.274 81 D HN 0.249 nan 8.370 nan 0.000 0.503 82 S N 0.355 116.105 115.700 0.083 0.000 2.499 82 S HA 0.638 5.108 4.470 0.000 0.000 0.238 82 S C 0.942 175.604 174.600 0.104 0.000 1.205 82 S CA -0.180 58.087 58.200 0.112 0.000 1.203 82 S CB 0.784 64.055 63.200 0.119 0.000 0.954 82 S HN 0.809 nan 8.310 nan 0.000 0.484 83 G N 1.875 110.728 108.800 0.088 0.000 2.569 83 G HA2 -0.280 3.680 3.960 0.000 0.000 0.259 83 G HA3 -0.280 3.680 3.960 0.000 0.000 0.259 83 G C 0.461 175.393 174.900 0.053 0.000 1.263 83 G CA 0.090 45.234 45.100 0.073 0.000 0.928 83 G HN 0.436 nan 8.290 nan 0.000 0.572 84 L N 0.332 121.582 121.223 0.045 0.000 2.313 84 L HA 0.132 4.472 4.340 0.000 0.000 0.214 84 L C 1.460 178.343 176.870 0.021 0.000 1.119 84 L CA 0.954 55.809 54.840 0.026 0.000 0.809 84 L CB -0.294 41.775 42.059 0.018 0.000 0.933 84 L HN 0.295 nan 8.230 nan 0.000 0.449 85 K N 1.691 122.114 120.400 0.038 0.000 2.263 85 K HA 0.353 4.673 4.320 0.000 0.000 0.282 85 K C -0.346 176.276 176.600 0.037 0.000 1.089 85 K CA -0.234 56.072 56.287 0.031 0.000 0.907 85 K CB 1.062 33.595 32.500 0.055 0.000 1.148 85 K HN 0.073 nan 8.250 nan 0.000 0.470 86 I N 1.923 122.498 120.570 0.009 0.000 2.556 86 I HA -0.032 4.139 4.170 0.000 0.000 0.284 86 I C 1.325 177.459 176.117 0.029 0.000 1.114 86 I CA 0.648 61.958 61.300 0.016 0.000 1.418 86 I CB 0.556 38.554 38.000 -0.002 0.000 1.394 86 I HN 0.959 nan 8.210 nan 0.000 0.552 87 G N 4.395 113.223 108.800 0.047 0.000 2.153 87 G HA2 -0.212 3.748 3.960 0.000 0.000 0.252 87 G HA3 -0.212 3.748 3.960 0.000 0.000 0.252 87 G C 0.321 175.271 174.900 0.084 0.000 0.994 87 G CA 0.122 45.255 45.100 0.055 0.000 0.698 87 G HN 0.958 nan 8.290 nan 0.000 0.521 88 A N -0.443 122.442 122.820 0.107 0.000 2.272 88 A HA 0.615 4.935 4.320 0.000 0.000 0.275 88 A C 0.602 178.311 177.584 0.207 0.000 1.096 88 A CA -0.329 51.809 52.037 0.168 0.000 0.822 88 A CB 0.286 19.386 19.000 0.167 0.000 1.088 88 A HN 0.620 nan 8.150 nan 0.000 0.495 89 H N 0.522 119.729 119.070 0.228 0.000 2.929 89 H HA 0.091 4.647 4.556 0.000 0.000 0.317 89 H C 0.751 176.207 175.328 0.213 0.000 1.031 89 H CA 0.755 56.950 56.048 0.246 0.000 1.466 89 H CB 0.780 30.706 29.762 0.274 0.000 1.482 89 H HN 0.673 nan 8.280 nan 0.000 0.561 90 K N 3.523 124.149 120.400 0.376 0.000 2.365 90 K HA -0.098 4.222 4.320 0.000 0.000 0.199 90 K C 1.681 178.544 176.600 0.439 0.000 1.045 90 K CA 0.596 57.139 56.287 0.426 0.000 0.962 90 K CB 0.348 33.082 32.500 0.390 0.000 0.759 90 K HN 0.413 nan 8.250 nan 0.000 0.469 91 K N 1.027 121.560 120.400 0.222 0.000 2.486 91 K HA -0.008 4.312 4.320 0.000 0.000 0.194 91 K C 0.348 176.978 176.600 0.049 0.000 1.033 91 K CA 0.465 56.544 56.287 -0.348 0.000 1.004 91 K CB 0.242 32.045 32.500 -1.162 0.000 0.798 91 K HN -0.017 nan 8.250 nan 0.000 0.495 92 N N 1.800 120.639 118.700 0.231 0.000 2.484 92 N HA -0.018 4.722 4.740 0.000 0.000 0.245 92 N C -0.789 174.994 175.510 0.455 0.000 1.184 92 N CA 0.299 53.533 53.050 0.307 0.000 0.884 92 N CB 0.685 39.386 38.487 0.357 0.000 1.182 92 N HN 0.268 nan 8.380 nan 0.000 0.493 93 T N -4.198 110.608 114.554 0.421 0.000 2.888 93 T HA 0.340 4.690 4.350 0.000 0.000 0.284 93 T C 1.476 176.407 174.700 0.384 0.000 1.017 93 T CA -0.763 61.562 62.100 0.374 0.000 1.022 93 T CB 1.729 70.780 68.868 0.304 0.000 1.013 93 T HN -0.191 nan 8.240 nan 0.000 0.465 94 V N 1.570 121.660 119.914 0.294 0.000 2.392 94 V HA -0.118 4.002 4.120 0.000 0.000 0.249 94 V C 2.802 178.990 176.094 0.157 0.000 1.059 94 V CA 2.352 64.803 62.300 0.252 0.000 1.051 94 V CB -0.979 30.913 31.823 0.115 0.000 0.658 94 V HN 1.043 nan 8.190 nan 0.000 0.455 95 E N -0.394 119.845 120.200 0.065 0.000 2.077 95 E HA -0.219 4.131 4.350 0.000 0.000 0.193 95 E C 2.002 178.571 176.600 -0.051 0.000 0.989 95 E CA 1.699 58.072 56.400 -0.046 0.000 0.800 95 E CB -0.315 29.288 29.700 -0.161 0.000 0.746 95 E HN 0.689 nan 8.360 nan 0.000 0.452 96 Y N 0.670 121.057 120.300 0.146 0.000 2.314 96 Y HA -0.023 4.527 4.550 0.000 0.000 0.293 96 Y C 2.135 178.085 175.900 0.084 0.000 1.129 96 Y CA 1.182 59.365 58.100 0.138 0.000 1.201 96 Y CB -0.056 38.507 38.460 0.171 0.000 0.999 96 Y HN 0.149 nan 8.280 nan 0.000 0.541 97 Q N -0.130 119.801 119.800 0.219 0.000 2.378 97 Q HA -0.090 4.250 4.340 0.000 0.000 0.205 97 Q C 1.567 177.643 176.000 0.127 0.000 0.954 97 Q CA 0.746 56.627 55.803 0.131 0.000 0.901 97 Q CB -0.022 28.753 28.738 0.061 0.000 0.981 97 Q HN 0.489 nan 8.270 nan 0.000 0.483 98 K N 0.398 120.873 120.400 0.125 0.000 2.361 98 K HA 0.058 4.378 4.320 0.000 0.000 0.196 98 K C 0.319 176.972 176.600 0.088 0.000 1.039 98 K CA 0.368 56.709 56.287 0.091 0.000 1.001 98 K CB 0.476 33.017 32.500 0.067 0.000 0.795 98 K HN 0.077 nan 8.250 nan 0.000 0.495 99 N N 1.111 119.883 118.700 0.120 0.000 2.673 99 N HA 0.034 4.774 4.740 0.000 0.000 0.265 99 N C 0.211 175.852 175.510 0.217 0.000 1.709 99 N CA -0.005 53.126 53.050 0.136 0.000 0.792 99 N CB 0.938 39.485 38.487 0.101 0.000 1.286 99 N HN -0.001 nan 8.380 nan 0.000 0.506 100 I N 0.765 121.451 120.570 0.193 0.000 2.264 100 I HA -0.213 3.957 4.170 0.000 0.000 0.248 100 I C 0.920 177.176 176.117 0.233 0.000 1.111 100 I CA 1.674 63.093 61.300 0.199 0.000 1.382 100 I CB 0.138 38.206 38.000 0.114 0.000 1.060 100 I HN 0.143 nan 8.210 nan 0.000 0.418 101 D N 0.919 121.448 120.400 0.215 0.000 2.218 101 D HA -0.172 4.468 4.640 0.000 0.000 0.204 101 D C 2.026 178.437 176.300 0.184 0.000 0.976 101 D CA 0.699 54.820 54.000 0.202 0.000 0.853 101 D CB -0.105 40.842 40.800 0.245 0.000 0.939 101 D HN 0.308 nan 8.370 nan 0.000 0.481 102 K N 0.106 120.653 120.400 0.245 0.000 2.280 102 K HA -0.113 4.207 4.320 0.000 0.000 0.202 102 K C 1.818 178.590 176.600 0.287 0.000 1.047 102 K CA 0.113 56.563 56.287 0.272 0.000 0.942 102 K CB -0.468 32.225 32.500 0.322 0.000 0.739 102 K HN 0.219 nan 8.250 nan 0.000 0.457 103 F N 1.823 121.827 119.950 0.090 0.000 2.333 103 F HA -0.180 4.347 4.527 0.000 0.000 0.300 103 F C 1.931 177.647 175.800 -0.140 0.000 1.083 103 F CA 0.651 58.523 58.000 -0.214 0.000 1.395 103 F CB -0.216 38.617 39.000 -0.279 0.000 1.056 103 F HN -0.159 nan 8.300 nan 0.000 0.529 104 V N -1.607 118.268 119.914 -0.064 0.000 2.568 104 V HA -0.312 3.808 4.120 0.000 0.000 0.253 104 V C 1.800 177.764 176.094 -0.216 0.000 1.072 104 V CA 2.460 64.671 62.300 -0.149 0.000 1.084 104 V CB -1.313 30.425 31.823 -0.142 0.000 0.676 104 V HN 0.355 nan 8.190 nan 0.000 0.469 105 N N 0.633 119.223 118.700 -0.183 0.000 2.216 105 N HA -0.051 4.690 4.740 0.000 0.000 0.183 105 N C 1.710 177.072 175.510 -0.247 0.000 1.017 105 N CA 1.413 54.369 53.050 -0.156 0.000 0.861 105 N CB -0.345 38.112 38.487 -0.050 0.000 0.986 105 N HN 0.400 nan 8.380 nan 0.000 0.428 106 V N 1.357 120.990 119.914 -0.468 0.000 2.287 106 V HA -0.234 3.886 4.120 0.000 0.000 0.248 106 V C 2.020 177.824 176.094 -0.483 0.000 1.053 106 V CA 1.501 63.447 62.300 -0.589 0.000 1.027 106 V CB -0.507 30.609 31.823 -1.179 0.000 0.646 106 V HN 0.307 nan 8.190 nan 0.000 0.447 107 I N -0.467 119.775 120.570 -0.546 0.000 2.179 107 I HA -0.320 3.850 4.170 0.000 0.000 0.242 107 I C 2.696 178.710 176.117 -0.172 0.000 1.088 107 I CA 1.740 62.867 61.300 -0.288 0.000 1.357 107 I CB -0.438 37.438 38.000 -0.206 0.000 1.051 107 I HN 0.350 nan 8.210 nan 0.000 0.409 108 Q N 0.410 120.109 119.800 -0.169 0.000 2.124 108 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 108 Q C 2.355 178.301 176.000 -0.089 0.000 0.977 108 Q CA 1.566 57.300 55.803 -0.115 0.000 0.850 108 Q CB -0.441 28.227 28.738 -0.116 0.000 0.901 108 Q HN 0.653 nan 8.270 nan 0.000 0.429 109 G N 1.309 110.048 108.800 -0.101 0.000 2.448 109 G HA2 -0.279 3.681 3.960 0.000 0.000 0.219 109 G HA3 -0.279 3.681 3.960 0.000 0.000 0.219 109 G C 1.301 176.174 174.900 -0.046 0.000 1.127 109 G CA 0.990 46.051 45.100 -0.065 0.000 0.766 109 G HN 0.492 nan 8.290 nan 0.000 0.552 110 Q N -0.640 119.124 119.800 -0.060 0.000 2.391 110 Q HA 0.288 4.628 4.340 0.000 0.000 0.211 110 Q C 0.815 176.813 176.000 -0.003 0.000 0.908 110 Q CA -0.175 55.612 55.803 -0.026 0.000 0.920 110 Q CB -0.140 28.577 28.738 -0.035 0.000 1.056 110 Q HN 0.298 nan 8.270 nan 0.000 0.523 111 L N 2.541 123.755 121.223 -0.015 0.000 2.361 111 L HA 0.269 4.609 4.340 0.000 0.000 0.278 111 L C -0.340 176.541 176.870 0.018 0.000 1.113 111 L CA -0.259 54.585 54.840 0.006 0.000 0.849 111 L CB 0.815 42.869 42.059 -0.008 0.000 1.155 111 L HN 0.261 nan 8.230 nan 0.000 0.452 112 M N 2.356 121.984 119.600 0.046 0.000 2.181 112 M HA 0.281 4.761 4.480 0.000 0.000 0.323 112 M C -0.083 176.251 176.300 0.058 0.000 1.004 112 M CA -0.503 54.830 55.300 0.055 0.000 0.941 112 M CB 1.427 34.081 32.600 0.090 0.000 1.579 112 M HN 0.374 nan 8.290 nan 0.000 0.427 113 S N 1.802 117.525 115.700 0.038 0.000 2.546 113 S HA 0.122 4.592 4.470 0.000 0.000 0.290 113 S C 1.659 176.292 174.600 0.055 0.000 1.290 113 S CA -0.451 57.771 58.200 0.037 0.000 1.069 113 S CB 0.758 63.969 63.200 0.018 0.000 0.846 113 S HN 0.531 nan 8.310 nan 0.000 0.495 114 V N 2.623 122.583 119.914 0.076 0.000 2.307 114 V HA -0.008 4.113 4.120 0.000 0.000 0.245 114 V C 1.206 177.302 176.094 0.004 0.000 1.045 114 V CA 1.479 63.817 62.300 0.064 0.000 1.024 114 V CB 0.006 31.915 31.823 0.145 0.000 0.651 114 V HN 0.798 nan 8.190 nan 0.000 0.449 115 S N -0.559 115.163 115.700 0.037 0.000 2.750 115 S HA 0.505 4.975 4.470 0.000 0.000 0.276 115 S C -1.150 173.452 174.600 0.005 0.000 1.165 115 S CA -0.473 57.713 58.200 -0.024 0.000 1.047 115 S CB 1.435 64.581 63.200 -0.089 0.000 1.056 115 S HN 0.001 nan 8.310 nan 0.000 0.481 116 V N 7.710 127.615 119.914 -0.017 0.000 2.357 116 V HA 0.555 4.676 4.120 0.000 0.000 0.284 116 V C -1.998 174.079 176.094 -0.027 0.000 1.018 116 V CA -1.799 60.492 62.300 -0.017 0.000 0.841 116 V CB 1.405 33.218 31.823 -0.017 0.000 0.991 116 V HN 0.693 nan 8.190 nan 0.000 0.437 117 P HA 0.190 nan 4.420 nan 0.000 0.274 117 P C -0.141 177.137 177.300 -0.037 0.000 1.246 117 P CA -0.183 62.900 63.100 -0.029 0.000 0.795 117 P CB 0.851 32.536 31.700 -0.025 0.000 1.006 118 V N 2.117 122.012 119.914 -0.031 0.000 2.694 118 V HA -0.042 4.078 4.120 0.000 0.000 0.306 118 V C 1.248 177.299 176.094 -0.073 0.000 1.054 118 V CA 0.250 62.528 62.300 -0.037 0.000 1.161 118 V CB -0.661 31.162 31.823 -0.001 0.000 0.916 118 V HN 0.622 nan 8.190 nan 0.000 0.490 119 N N 3.425 122.073 118.700 -0.086 0.000 2.458 119 N HA 0.119 4.859 4.740 0.000 0.000 0.270 119 N C 0.533 175.889 175.510 -0.256 0.000 1.102 119 N CA 0.310 53.282 53.050 -0.129 0.000 0.967 119 N CB 1.587 40.024 38.487 -0.083 0.000 1.078 119 N HN 0.868 nan 8.380 nan 0.000 0.471 120 T N 0.944 115.227 114.554 -0.452 0.000 3.252 120 T HA 0.278 4.629 4.350 0.000 0.000 0.286 120 T C 0.749 174.951 174.700 -0.831 0.000 1.013 120 T CA -0.439 60.995 62.100 -1.110 0.000 0.914 120 T CB -0.464 67.887 68.868 -0.861 0.000 1.131 120 T HN 0.275 nan 8.240 nan 0.000 0.529 121 L N 2.047 123.061 121.223 -0.348 0.000 2.410 121 L HA 0.389 4.729 4.340 0.000 0.000 0.273 121 L C 0.018 176.911 176.870 0.037 0.000 1.152 121 L CA -0.769 53.993 54.840 -0.130 0.000 0.855 121 L CB 1.009 43.034 42.059 -0.057 0.000 1.129 121 L HN 0.083 nan 8.230 nan 0.000 0.463 122 V N 4.833 124.796 119.914 0.081 0.000 2.406 122 V HA 0.173 4.293 4.120 0.000 0.000 0.272 122 V C 0.186 176.343 176.094 0.106 0.000 1.043 122 V CA -0.475 61.933 62.300 0.181 0.000 0.915 122 V CB 1.515 33.430 31.823 0.153 0.000 0.988 122 V HN 0.409 nan 8.190 nan 0.000 0.466 123 V N 5.423 125.402 119.914 0.109 0.000 2.313 123 V HA 0.348 4.469 4.120 0.000 0.000 0.278 123 V C 0.220 176.344 176.094 0.051 0.000 1.017 123 V CA -0.417 61.924 62.300 0.068 0.000 0.823 123 V CB 1.329 33.192 31.823 0.066 0.000 1.010 123 V HN 1.057 nan 8.190 nan 0.000 0.443 124 D N 2.125 122.548 120.400 0.038 0.000 2.538 124 D HA 0.008 4.648 4.640 0.000 0.000 0.231 124 D C 1.086 177.396 176.300 0.016 0.000 1.229 124 D CA 0.215 54.228 54.000 0.023 0.000 0.828 124 D CB 0.457 41.270 40.800 0.022 0.000 1.035 124 D HN 0.549 nan 8.370 nan 0.000 0.495 125 T N -1.783 112.783 114.554 0.020 0.000 3.215 125 T HA 0.330 4.681 4.350 0.000 0.000 0.271 125 T C 0.716 175.428 174.700 0.019 0.000 1.012 125 T CA -0.547 61.563 62.100 0.017 0.000 0.899 125 T CB -0.275 68.603 68.868 0.017 0.000 1.089 125 T HN 0.013 nan 8.240 nan 0.000 0.552 126 L N 2.083 123.318 121.223 0.021 0.000 2.483 126 L HA 0.258 4.598 4.340 0.000 0.000 0.276 126 L C 1.136 178.017 176.870 0.017 0.000 1.213 126 L CA -0.411 54.443 54.840 0.024 0.000 0.843 126 L CB 0.413 42.489 42.059 0.028 0.000 1.107 126 L HN 0.262 nan 8.230 nan 0.000 0.487 127 S N 2.366 118.079 115.700 0.022 0.000 2.560 127 S HA 0.094 4.564 4.470 0.000 0.000 0.284 127 S C -1.358 173.249 174.600 0.012 0.000 1.327 127 S CA -1.074 57.136 58.200 0.018 0.000 1.055 127 S CB 0.805 64.019 63.200 0.023 0.000 0.868 127 S HN 0.407 nan 8.310 nan 0.000 0.506 128 P HA -0.114 nan 4.420 nan 0.000 0.218 128 P C 1.330 178.631 177.300 0.002 0.000 1.146 128 P CA 1.506 64.603 63.100 -0.004 0.000 0.820 128 P CB -0.250 31.446 31.700 -0.005 0.000 0.778 129 T N -5.682 108.882 114.554 0.017 0.000 3.067 129 T HA 0.085 4.435 4.350 0.000 0.000 0.261 129 T C 1.010 175.741 174.700 0.053 0.000 1.110 129 T CA 0.086 62.204 62.100 0.030 0.000 1.113 129 T CB -0.569 68.318 68.868 0.032 0.000 0.917 129 T HN -0.084 nan 8.240 nan 0.000 0.499 130 S N 1.411 117.145 115.700 0.056 0.000 2.565 130 S HA 0.308 4.778 4.470 0.000 0.000 0.276 130 S C -0.550 174.126 174.600 0.125 0.000 1.326 130 S CA -1.007 57.253 58.200 0.100 0.000 1.045 130 S CB 0.204 63.458 63.200 0.089 0.000 0.918 130 S HN 0.590 nan 8.310 nan 0.000 0.505 131 W N 3.015 124.322 121.300 0.011 0.000 2.210 131 W HA 0.258 4.919 4.660 0.000 0.000 0.330 131 W C 0.123 176.655 176.519 0.021 0.000 1.334 131 W CA 0.453 57.803 57.345 0.009 0.000 1.227 131 W CB 0.378 29.843 29.460 0.008 0.000 1.178 131 W HN 0.393 nan 8.180 nan 0.000 0.560 132 Q N 3.209 122.604 119.800 -0.675 0.000 2.522 132 Q HA 0.479 4.819 4.340 0.000 0.000 0.285 132 Q C -1.074 174.395 176.000 -0.886 0.000 0.982 132 Q CA -0.769 54.709 55.803 -0.541 0.000 0.805 132 Q CB 1.825 30.428 28.738 -0.225 0.000 1.457 132 Q HN 0.594 nan 8.270 nan 0.000 0.394 133 A N 0.689 123.230 122.820 -0.466 0.000 2.354 133 A HA 0.477 4.797 4.320 0.000 0.000 0.269 133 A C 0.596 177.991 177.584 -0.315 0.000 1.109 133 A CA -0.001 51.830 52.037 -0.343 0.000 0.800 133 A CB 0.459 19.520 19.000 0.103 0.000 1.045 133 A HN 0.662 nan 8.150 nan 0.000 0.489 134 S N -0.112 115.425 115.700 -0.271 0.000 2.528 134 S HA 0.096 4.566 4.470 0.000 0.000 0.219 134 S C 0.864 175.344 174.600 -0.201 0.000 0.985 134 S CA 0.896 58.966 58.200 -0.216 0.000 0.914 134 S CB -0.170 62.928 63.200 -0.169 0.000 0.776 134 S HN 1.084 nan 8.310 nan 0.000 0.526 135 T N -1.312 113.150 114.554 -0.153 0.000 2.865 135 T HA 0.646 4.996 4.350 0.000 0.000 0.294 135 T C -0.937 173.668 174.700 -0.157 0.000 1.119 135 T CA -0.796 61.221 62.100 -0.140 0.000 1.007 135 T CB 0.754 69.648 68.868 0.043 0.000 1.225 135 T HN -0.073 nan 8.240 nan 0.000 0.515 136 F N 2.976 122.998 119.950 0.120 0.000 2.499 136 F HA 0.410 4.937 4.527 0.000 0.000 0.353 136 F C 0.384 176.227 175.800 0.070 0.000 1.196 136 F CA -1.692 56.340 58.000 0.054 0.000 1.244 136 F CB -0.740 38.262 39.000 0.004 0.000 1.577 136 F HN 0.571 nan 8.300 nan 0.000 0.614 137 F N -0.375 119.665 119.950 0.150 0.000 2.399 137 F HA 0.592 5.119 4.527 0.000 0.000 0.313 137 F C -0.080 175.790 175.800 0.117 0.000 1.202 137 F CA -1.637 56.433 58.000 0.117 0.000 1.192 137 F CB -0.094 38.967 39.000 0.101 0.000 1.256 137 F HN -0.129 nan 8.300 nan 0.000 0.558 138 V N 2.969 123.002 119.914 0.198 0.000 2.421 138 V HA 0.249 4.369 4.120 0.000 0.000 0.271 138 V C 0.158 176.257 176.094 0.009 0.000 1.031 138 V CA 0.104 62.447 62.300 0.071 0.000 1.032 138 V CB -0.620 31.272 31.823 0.115 0.000 1.009 138 V HN 0.735 nan 8.190 nan 0.000 0.477 139 R N 3.897 124.308 120.500 -0.149 0.000 2.725 139 R HA 0.439 4.779 4.340 0.000 0.000 0.277 139 R C 0.105 176.354 176.300 -0.084 0.000 0.987 139 R CA -0.876 55.097 56.100 -0.211 0.000 0.901 139 R CB 1.393 31.414 30.300 -0.465 0.000 1.207 139 R HN 0.705 nan 8.270 nan 0.000 0.463 140 N N 0.897 119.576 118.700 -0.036 0.000 2.725 140 N HA -0.198 4.542 4.740 0.000 0.000 0.249 140 N C 0.479 175.979 175.510 -0.017 0.000 1.103 140 N CA 1.592 54.628 53.050 -0.024 0.000 0.707 140 N CB -1.102 37.364 38.487 -0.035 0.000 1.043 140 N HN 1.079 nan 8.380 nan 0.000 0.553 141 G N -1.835 106.960 108.800 -0.007 0.000 2.159 141 G HA2 -0.328 3.632 3.960 0.000 0.000 0.256 141 G HA3 -0.328 3.632 3.960 0.000 0.000 0.256 141 G C 0.273 175.168 174.900 -0.008 0.000 0.977 141 G CA 0.903 46.001 45.100 -0.003 0.000 0.652 141 G HN 1.320 nan 8.290 nan 0.000 0.531 142 S N -0.457 115.232 115.700 -0.018 0.000 2.584 142 S HA 0.463 4.933 4.470 0.000 0.000 0.270 142 S C 0.121 174.711 174.600 -0.016 0.000 1.346 142 S CA 0.147 58.333 58.200 -0.023 0.000 1.018 142 S CB 1.759 64.937 63.200 -0.035 0.000 0.899 142 S HN 0.716 nan 8.310 nan 0.000 0.542 143 N N 2.058 120.741 118.700 -0.028 0.000 2.546 143 N HA 0.363 5.103 4.740 0.000 0.000 0.238 143 N C -1.731 173.763 175.510 -0.027 0.000 0.984 143 N CA -2.553 50.473 53.050 -0.040 0.000 0.935 143 N CB 1.315 39.750 38.487 -0.087 0.000 1.122 143 N HN 0.356 nan 8.380 nan 0.000 0.510 144 P HA -0.045 nan 4.420 nan 0.000 0.230 144 P C 0.357 177.678 177.300 0.034 0.000 1.158 144 P CA 0.806 63.921 63.100 0.026 0.000 0.769 144 P CB 0.601 32.331 31.700 0.051 0.000 0.807 145 E N -0.084 120.124 120.200 0.013 0.000 2.274 145 E HA -0.104 4.246 4.350 0.000 0.000 0.194 145 E C 0.947 177.557 176.600 0.017 0.000 0.996 145 E CA 0.609 57.036 56.400 0.045 0.000 0.840 145 E CB -0.156 29.515 29.700 -0.049 0.000 0.772 145 E HN 0.311 nan 8.360 nan 0.000 0.491 146 Q N 2.204 121.976 119.800 -0.046 0.000 2.307 146 Q HA 0.022 4.362 4.340 0.000 0.000 0.259 146 Q C -0.810 175.199 176.000 0.016 0.000 0.998 146 Q CA -0.161 55.616 55.803 -0.043 0.000 0.923 146 Q CB 0.753 29.450 28.738 -0.069 0.000 1.196 146 Q HN -0.199 nan 8.270 nan 0.000 0.416 147 D N 6.006 126.436 120.400 0.049 0.000 2.358 147 D HA 0.051 4.691 4.640 0.000 0.000 0.258 147 D C -1.695 174.624 176.300 0.031 0.000 1.223 147 D CA -1.857 52.172 54.000 0.048 0.000 0.886 147 D CB 1.278 42.120 40.800 0.070 0.000 1.120 147 D HN 0.437 nan 8.370 nan 0.000 0.482 148 P HA -0.080 nan 4.420 nan 0.000 0.222 148 P C 1.272 178.576 177.300 0.008 0.000 1.147 148 P CA 0.688 63.789 63.100 0.001 0.000 0.790 148 P CB 0.335 32.024 31.700 -0.018 0.000 0.780 149 L N -1.254 119.978 121.223 0.014 0.000 2.592 149 L HA 0.173 4.513 4.340 0.000 0.000 0.227 149 L C 1.502 178.388 176.870 0.027 0.000 1.127 149 L CA 0.264 55.113 54.840 0.015 0.000 0.884 149 L CB -0.163 41.901 42.059 0.008 0.000 1.065 149 L HN -0.162 nan 8.230 nan 0.000 0.457 150 R N -0.215 120.311 120.500 0.043 0.000 2.734 150 R HA 0.211 4.551 4.340 0.000 0.000 0.395 150 R C -0.393 175.969 176.300 0.103 0.000 1.096 150 R CA -0.270 55.868 56.100 0.065 0.000 1.071 150 R CB 0.303 30.643 30.300 0.067 0.000 1.348 150 R HN 0.048 nan 8.270 nan 0.000 0.600 151 N N 0.561 119.300 118.700 0.065 0.000 2.483 151 N HA 0.371 5.111 4.740 0.000 0.000 0.285 151 N C -0.724 174.713 175.510 -0.121 0.000 1.210 151 N CA -0.620 52.455 53.050 0.042 0.000 0.931 151 N CB 1.174 39.681 38.487 0.034 0.000 1.220 151 N HN 0.077 nan 8.380 nan 0.000 0.542 152 L N 1.992 122.987 121.223 -0.380 0.000 2.417 152 L HA 0.223 4.563 4.340 0.000 0.000 0.258 152 L C 1.405 178.094 176.870 -0.303 0.000 1.088 152 L CA -0.294 54.196 54.840 -0.584 0.000 0.975 152 L CB 0.451 41.784 42.059 -1.210 0.000 1.341 152 L HN 0.637 nan 8.230 nan 0.000 0.431 153 S N -0.213 115.403 115.700 -0.140 0.000 2.419 153 S HA -0.123 4.347 4.470 0.000 0.000 0.233 153 S C 1.786 176.348 174.600 -0.063 0.000 1.016 153 S CA 1.006 59.169 58.200 -0.061 0.000 0.974 153 S CB -0.209 62.969 63.200 -0.038 0.000 0.786 153 S HN 0.642 nan 8.310 nan 0.000 0.492 154 G N 0.421 109.165 108.800 -0.093 0.000 2.813 154 G HA2 0.088 4.048 3.960 0.000 0.000 0.209 154 G HA3 0.088 4.048 3.960 0.000 0.000 0.209 154 G C 0.551 175.408 174.900 -0.071 0.000 1.150 154 G CA -0.290 44.767 45.100 -0.072 0.000 0.785 154 G HN 0.356 nan 8.290 nan 0.000 0.535 155 Q N 0.631 120.365 119.800 -0.109 0.000 2.311 155 Q HA 0.512 4.852 4.340 0.000 0.000 0.272 155 Q C -0.126 175.890 176.000 0.026 0.000 1.012 155 Q CA 0.254 56.018 55.803 -0.065 0.000 0.891 155 Q CB 1.387 30.049 28.738 -0.125 0.000 1.201 155 Q HN 0.287 nan 8.270 nan 0.000 0.391 156 A N 2.077 124.918 122.820 0.034 0.000 2.594 156 A HA 0.747 5.067 4.320 0.000 0.000 0.291 156 A C -1.068 176.553 177.584 0.061 0.000 1.105 156 A CA -0.553 51.513 52.037 0.048 0.000 0.694 156 A CB 1.400 20.416 19.000 0.028 0.000 1.291 156 A HN 0.476 nan 8.150 nan 0.000 0.410 157 V N -1.938 118.025 119.914 0.082 0.000 2.914 157 V HA 0.932 5.052 4.120 0.000 0.000 0.314 157 V C -0.441 175.718 176.094 0.107 0.000 1.084 157 V CA -0.497 61.870 62.300 0.112 0.000 0.963 157 V CB 1.541 33.485 31.823 0.201 0.000 1.025 157 V HN 0.881 nan 8.190 nan 0.000 0.432 158 T N 3.077 117.689 114.554 0.097 0.000 2.807 158 T HA 0.610 4.961 4.350 0.000 0.000 0.279 158 T C -0.318 174.414 174.700 0.053 0.000 0.993 158 T CA -0.494 61.645 62.100 0.064 0.000 0.970 158 T CB 1.253 70.146 68.868 0.042 0.000 0.950 158 T HN 0.766 nan 8.240 nan 0.000 0.441 159 R N 2.416 122.936 120.500 0.032 0.000 2.363 159 R HA 0.603 4.943 4.340 0.000 0.000 0.297 159 R C -0.944 175.361 176.300 0.008 0.000 1.208 159 R CA -0.570 55.525 56.100 -0.008 0.000 1.121 159 R CB 0.927 31.199 30.300 -0.046 0.000 1.124 159 R HN 0.534 nan 8.270 nan 0.000 0.561 160 V N -1.498 118.420 119.914 0.007 0.000 3.147 160 V HA 0.418 4.538 4.120 0.000 0.000 0.299 160 V C -0.187 175.916 176.094 0.015 0.000 1.302 160 V CA -1.137 61.172 62.300 0.016 0.000 1.015 160 V CB 1.904 33.739 31.823 0.020 0.000 1.086 160 V HN 0.141 nan 8.190 nan 0.000 0.437 161 V N 3.640 123.567 119.914 0.021 0.000 2.599 161 V HA 0.511 4.631 4.120 0.000 0.000 0.300 161 V C 1.764 177.874 176.094 0.026 0.000 1.034 161 V CA 1.940 64.255 62.300 0.025 0.000 1.115 161 V CB 0.145 31.984 31.823 0.028 0.000 0.934 161 V HN 2.148 nan 8.190 nan 0.000 0.485 162 G N 3.236 112.050 108.800 0.023 0.000 2.217 162 G HA2 -0.018 3.942 3.960 0.000 0.000 0.246 162 G HA3 -0.018 3.942 3.960 0.000 0.000 0.246 162 G C 1.044 175.935 174.900 -0.017 0.000 0.990 162 G CA 0.324 45.431 45.100 0.012 0.000 0.627 162 G HN 2.175 nan 8.290 nan 0.000 0.522 163 G N 0.083 108.879 108.800 -0.007 0.000 2.582 163 G HA2 -0.257 3.703 3.960 0.000 0.000 0.288 163 G HA3 -0.257 3.703 3.960 0.000 0.000 0.288 163 G C 1.139 176.025 174.900 -0.023 0.000 1.247 163 G CA 1.182 46.276 45.100 -0.009 0.000 0.972 163 G HN 1.121 nan 8.290 nan 0.000 0.557 164 M N 1.542 121.125 119.600 -0.030 0.000 2.549 164 M HA -0.008 4.473 4.480 0.000 0.000 0.260 164 M C 2.686 178.937 176.300 -0.081 0.000 1.076 164 M CA 1.786 57.075 55.300 -0.018 0.000 1.090 164 M CB -0.235 32.380 32.600 0.026 0.000 1.418 164 M HN 0.732 nan 8.290 nan 0.000 0.486 165 S N -0.524 115.034 115.700 -0.235 0.000 2.555 165 S HA -0.065 4.405 4.470 0.000 0.000 0.230 165 S C 1.714 176.247 174.600 -0.112 0.000 0.978 165 S CA 1.123 59.037 58.200 -0.475 0.000 0.934 165 S CB -0.936 61.940 63.200 -0.540 0.000 0.766 165 S HN 0.577 nan 8.310 nan 0.000 0.533 166 T N -2.098 112.400 114.554 -0.095 0.000 3.035 166 T HA 0.405 4.755 4.350 0.000 0.000 0.268 166 T C 1.308 175.840 174.700 -0.281 0.000 1.109 166 T CA 0.641 62.663 62.100 -0.129 0.000 1.119 166 T CB -0.128 68.731 68.868 -0.015 0.000 0.900 166 T HN 0.597 nan 8.240 nan 0.000 0.503 167 A N -0.009 122.750 122.820 -0.101 0.000 2.653 167 A HA 0.427 4.747 4.320 0.000 0.000 0.248 167 A C 0.601 178.406 177.584 0.368 0.000 1.211 167 A CA -0.753 51.396 52.037 0.187 0.000 0.991 167 A CB -0.075 19.010 19.000 0.142 0.000 1.252 167 A HN 0.623 nan 8.150 nan 0.000 0.593 168 W N -0.041 121.281 121.300 0.036 0.000 2.034 168 W HA 0.412 5.072 4.660 0.000 0.000 0.357 168 W C 0.054 176.648 176.519 0.125 0.000 1.326 168 W CA 0.641 58.049 57.345 0.106 0.000 1.318 168 W CB -0.819 28.687 29.460 0.076 0.000 1.193 168 W HN -0.043 nan 8.180 nan 0.000 0.620 169 T N 0.790 115.310 114.554 -0.057 0.000 3.088 169 T HA 0.001 4.351 4.350 0.000 0.000 0.259 169 T C 0.981 175.259 174.700 -0.704 0.000 1.122 169 T CA 1.152 63.039 62.100 -0.355 0.000 1.095 169 T CB -0.499 68.325 68.868 -0.073 0.000 0.930 169 T HN 0.665 nan 8.240 nan 0.000 0.508 170 C N 0.941 119.473 119.300 -1.280 0.000 4.552 170 C HA -0.092 4.368 4.460 0.000 0.000 0.268 170 C C 1.068 175.580 174.990 -0.796 0.000 1.288 170 C CA -0.779 57.230 59.018 -1.682 0.000 1.776 170 C CB -2.653 24.577 27.740 -0.849 0.000 1.415 170 C HN 0.764 nan 8.230 nan 0.000 0.729 171 A N 1.051 123.601 122.820 -0.449 0.000 2.362 171 A HA 0.595 4.915 4.320 0.000 0.000 0.276 171 A C 0.749 178.249 177.584 -0.140 0.000 1.153 171 A CA 1.052 52.975 52.037 -0.190 0.000 0.813 171 A CB 0.224 19.184 19.000 -0.066 0.000 1.081 171 A HN 1.407 nan 8.150 nan 0.000 0.507 172 T N 1.391 115.880 114.554 -0.108 0.000 3.504 172 T HA 0.508 4.858 4.350 0.000 0.000 0.286 172 T C -2.753 171.899 174.700 -0.081 0.000 1.530 172 T CA -1.457 60.611 62.100 -0.054 0.000 1.652 172 T CB 0.542 69.408 68.868 -0.003 0.000 0.895 172 T HN 0.442 nan 8.240 nan 0.000 0.674 173 P HA 0.376 nan 4.420 nan 0.000 0.277 173 P C -0.133 177.018 177.300 -0.248 0.000 1.240 173 P CA -0.603 62.395 63.100 -0.170 0.000 0.798 173 P CB 1.115 32.684 31.700 -0.219 0.000 0.979 174 R N 0.916 121.189 120.500 -0.378 0.000 2.615 174 R HA 0.366 4.706 4.340 0.000 0.000 0.270 174 R C 0.071 176.237 176.300 -0.223 0.000 1.081 174 R CA -0.356 55.314 56.100 -0.717 0.000 1.154 174 R CB 0.135 29.884 30.300 -0.918 0.000 1.063 174 R HN 0.375 nan 8.270 nan 0.000 0.519 175 F N 1.958 121.661 119.950 -0.411 0.000 2.396 175 F HA 0.054 4.581 4.527 0.000 0.000 0.343 175 F C 0.956 176.571 175.800 -0.309 0.000 1.104 175 F CA -1.567 56.232 58.000 -0.335 0.000 1.161 175 F CB 0.342 39.141 39.000 -0.335 0.000 1.146 175 F HN 0.545 nan 8.300 nan 0.000 0.522 176 D N 2.624 122.950 120.400 -0.123 0.000 2.398 176 D HA 0.093 4.733 4.640 0.000 0.000 0.247 176 D C 1.063 177.274 176.300 -0.149 0.000 1.227 176 D CA -0.378 53.548 54.000 -0.123 0.000 0.980 176 D CB 0.569 41.310 40.800 -0.098 0.000 1.106 176 D HN 0.485 nan 8.370 nan 0.000 0.493 177 R N -0.419 120.018 120.500 -0.104 0.000 2.105 177 R HA -0.186 4.154 4.340 0.000 0.000 0.239 177 R C 2.065 178.304 176.300 -0.103 0.000 1.135 177 R CA 1.688 57.732 56.100 -0.094 0.000 0.967 177 R CB -0.278 30.002 30.300 -0.034 0.000 0.861 177 R HN 0.681 nan 8.270 nan 0.000 0.442 178 E N 0.770 120.906 120.200 -0.106 0.000 2.204 178 E HA -0.207 4.143 4.350 0.000 0.000 0.195 178 E C 1.301 177.787 176.600 -0.191 0.000 0.990 178 E CA 1.114 57.458 56.400 -0.094 0.000 0.821 178 E CB 0.232 29.920 29.700 -0.021 0.000 0.750 178 E HN 0.422 nan 8.360 nan 0.000 0.477 179 Q N -0.522 119.068 119.800 -0.350 0.000 2.282 179 Q HA 0.152 4.492 4.340 0.000 0.000 0.206 179 Q C 0.222 176.094 176.000 -0.213 0.000 0.878 179 Q CA -0.151 55.378 55.803 -0.456 0.000 0.944 179 Q CB 0.736 28.880 28.738 -0.989 0.000 1.100 179 Q HN -0.066 nan 8.270 nan 0.000 0.509 180 R N 2.260 122.685 120.500 -0.126 0.000 2.460 180 R HA 0.311 4.651 4.340 0.000 0.000 0.303 180 R C -2.511 173.749 176.300 -0.066 0.000 0.968 180 R CA -2.095 53.930 56.100 -0.125 0.000 0.889 180 R CB 1.073 31.124 30.300 -0.415 0.000 1.123 180 R HN -0.094 nan 8.270 nan 0.000 0.455 181 P HA 0.051 nan 4.420 nan 0.000 0.274 181 P C -0.639 176.813 177.300 0.254 0.000 1.237 181 P CA -0.145 63.028 63.100 0.121 0.000 0.793 181 P CB 0.809 32.589 31.700 0.135 0.000 0.977 182 L N 2.331 123.671 121.223 0.195 0.000 2.349 182 L HA 0.185 4.525 4.340 0.000 0.000 0.275 182 L C 1.722 178.752 176.870 0.267 0.000 1.115 182 L CA -0.262 54.765 54.840 0.312 0.000 0.820 182 L CB 0.343 42.628 42.059 0.377 0.000 1.135 182 L HN 0.366 nan 8.230 nan 0.000 0.445 183 L N 3.180 124.603 121.223 0.334 0.000 2.575 183 L HA 0.220 4.560 4.340 0.000 0.000 0.228 183 L C -0.210 176.833 176.870 0.288 0.000 1.075 183 L CA 0.188 55.122 54.840 0.155 0.000 0.867 183 L CB 0.814 42.762 42.059 -0.184 0.000 1.097 183 L HN 0.314 nan 8.230 nan 0.000 0.485 184 V N 1.664 121.749 119.914 0.285 0.000 2.483 184 V HA 0.220 4.340 4.120 0.000 0.000 0.297 184 V C -0.261 175.933 176.094 0.166 0.000 1.027 184 V CA -0.988 61.419 62.300 0.179 0.000 0.855 184 V CB 1.702 33.584 31.823 0.097 0.000 0.995 184 V HN 0.165 nan 8.190 nan 0.000 0.424 185 K N 2.716 123.101 120.400 -0.025 0.000 2.218 185 K HA 0.347 4.667 4.320 0.000 0.000 0.276 185 K C -0.412 176.159 176.600 -0.047 0.000 1.022 185 K CA -0.388 55.838 56.287 -0.102 0.000 0.946 185 K CB 0.800 33.032 32.500 -0.447 0.000 1.000 185 K HN 0.665 nan 8.250 nan 0.000 0.468 186 D N 1.254 121.650 120.400 -0.006 0.000 2.689 186 D HA -0.163 4.477 4.640 0.000 0.000 0.237 186 D C -0.833 175.474 176.300 0.012 0.000 1.148 186 D CA 1.346 55.347 54.000 0.001 0.000 0.656 186 D CB -0.720 40.068 40.800 -0.022 0.000 1.050 186 D HN 0.794 nan 8.370 nan 0.000 0.426 187 D N -1.447 118.973 120.400 0.033 0.000 2.914 187 D HA 0.284 4.924 4.640 0.000 0.000 0.236 187 D C 0.976 177.312 176.300 0.060 0.000 1.405 187 D CA 0.232 54.255 54.000 0.037 0.000 0.900 187 D CB 0.096 40.913 40.800 0.027 0.000 1.518 187 D HN 0.034 nan 8.370 nan 0.000 0.548 188 A N 1.664 124.520 122.820 0.060 0.000 1.986 188 A HA -0.204 4.116 4.320 0.000 0.000 0.220 188 A C 1.665 179.295 177.584 0.078 0.000 1.171 188 A CA 1.627 53.709 52.037 0.074 0.000 0.640 188 A CB -0.010 19.025 19.000 0.058 0.000 0.811 188 A HN 0.414 nan 8.150 nan 0.000 0.451 189 D N -0.155 120.281 120.400 0.060 0.000 2.123 189 D HA 0.015 4.655 4.640 0.000 0.000 0.200 189 D C 2.270 178.608 176.300 0.064 0.000 0.976 189 D CA 1.478 55.512 54.000 0.057 0.000 0.831 189 D CB -0.475 40.350 40.800 0.041 0.000 0.974 189 D HN 0.420 nan 8.370 nan 0.000 0.469 190 A N 0.766 123.620 122.820 0.057 0.000 1.930 190 A HA -0.204 4.116 4.320 0.000 0.000 0.217 190 A C 1.958 179.586 177.584 0.074 0.000 1.175 190 A CA 1.971 54.038 52.037 0.051 0.000 0.627 190 A CB -0.620 18.403 19.000 0.037 0.000 0.815 190 A HN 0.164 nan 8.150 nan 0.000 0.443 191 D N -0.224 120.244 120.400 0.113 0.000 2.097 191 D HA -0.158 4.482 4.640 0.000 0.000 0.195 191 D C 1.307 177.767 176.300 0.268 0.000 0.989 191 D CA 1.603 55.719 54.000 0.193 0.000 0.827 191 D CB -0.145 40.795 40.800 0.233 0.000 0.966 191 D HN 0.344 nan 8.370 nan 0.000 0.456 192 D N -0.365 120.157 120.400 0.203 0.000 2.097 192 D HA -0.109 4.532 4.640 0.000 0.000 0.195 192 D C 1.974 178.383 176.300 0.182 0.000 0.989 192 D CA 1.506 55.627 54.000 0.202 0.000 0.827 192 D CB -0.574 40.300 40.800 0.124 0.000 0.966 192 D HN 0.311 nan 8.370 nan 0.000 0.456 193 A N 0.558 123.447 122.820 0.114 0.000 1.933 193 A HA -0.195 4.125 4.320 0.000 0.000 0.218 193 A C 2.128 179.740 177.584 0.047 0.000 1.175 193 A CA 1.914 53.995 52.037 0.073 0.000 0.628 193 A CB -0.504 18.523 19.000 0.044 0.000 0.814 193 A HN 0.193 nan 8.150 nan 0.000 0.444 194 E N -0.857 119.352 120.200 0.016 0.000 2.047 194 E HA -0.191 4.159 4.350 0.000 0.000 0.191 194 E C 1.680 178.183 176.600 -0.162 0.000 0.987 194 E CA 1.533 57.870 56.400 -0.105 0.000 0.799 194 E CB -0.485 29.107 29.700 -0.180 0.000 0.752 194 E HN 0.710 nan 8.360 nan 0.000 0.449 195 W N 0.866 122.126 121.300 -0.067 0.000 2.358 195 W HA -0.117 4.543 4.660 0.000 0.000 0.303 195 W C 2.187 178.690 176.519 -0.026 0.000 1.208 195 W CA 1.292 58.558 57.345 -0.133 0.000 1.274 195 W CB -0.464 28.959 29.460 -0.062 0.000 1.138 195 W HN 0.252 nan 8.180 nan 0.000 0.515 196 D N 0.073 120.639 120.400 0.277 0.000 2.123 196 D HA -0.230 4.410 4.640 0.000 0.000 0.196 196 D C 2.144 178.513 176.300 0.114 0.000 0.992 196 D CA 1.601 55.728 54.000 0.212 0.000 0.833 196 D CB -0.240 40.645 40.800 0.141 0.000 0.954 196 D HN -0.006 nan 8.370 nan 0.000 0.455 197 R N -0.402 120.117 120.500 0.032 0.000 2.073 197 R HA -0.085 4.255 4.340 0.000 0.000 0.234 197 R C 2.427 178.682 176.300 -0.076 0.000 1.134 197 R CA 1.163 57.245 56.100 -0.030 0.000 0.952 197 R CB -0.266 29.997 30.300 -0.061 0.000 0.850 197 R HN 0.267 nan 8.270 nan 0.000 0.433 198 L N -0.750 120.394 121.223 -0.133 0.000 2.072 198 L HA -0.130 4.210 4.340 0.000 0.000 0.205 198 L C 2.254 179.049 176.870 -0.126 0.000 1.079 198 L CA 0.937 55.641 54.840 -0.226 0.000 0.752 198 L CB -0.527 41.285 42.059 -0.413 0.000 0.906 198 L HN 0.175 nan 8.230 nan 0.000 0.436 199 Y N 0.412 120.711 120.300 -0.002 0.000 2.224 199 Y HA -0.221 4.329 4.550 0.000 0.000 0.289 199 Y C 2.862 178.740 175.900 -0.036 0.000 1.146 199 Y CA 1.465 59.574 58.100 0.015 0.000 1.182 199 Y CB -1.069 37.432 38.460 0.069 0.000 0.983 199 Y HN 0.129 nan 8.280 nan 0.000 0.524 200 T N -0.358 114.267 114.554 0.118 0.000 2.746 200 T HA -0.208 4.142 4.350 0.000 0.000 0.267 200 T C 1.979 176.644 174.700 -0.060 0.000 1.039 200 T CA 1.667 63.786 62.100 0.032 0.000 1.142 200 T CB -0.156 68.723 68.868 0.019 0.000 0.866 200 T HN 0.230 nan 8.240 nan 0.000 0.444 201 K N 0.933 121.239 120.400 -0.158 0.000 2.025 201 K HA 0.001 4.321 4.320 0.000 0.000 0.207 201 K C 2.527 178.799 176.600 -0.546 0.000 1.049 201 K CA 1.141 57.203 56.287 -0.374 0.000 0.933 201 K CB -0.309 31.926 32.500 -0.441 0.000 0.714 201 K HN 0.263 nan 8.250 nan 0.000 0.438 202 A N 1.324 123.936 122.820 -0.345 0.000 1.908 202 A HA -0.212 4.109 4.320 0.000 0.000 0.218 202 A C 1.830 179.423 177.584 0.014 0.000 1.181 202 A CA 1.819 53.728 52.037 -0.212 0.000 0.627 202 A CB -0.514 18.476 19.000 -0.017 0.000 0.818 202 A HN 0.477 nan 8.150 nan 0.000 0.445 203 E N -0.584 119.660 120.200 0.073 0.000 2.110 203 E HA -0.145 4.206 4.350 0.000 0.000 0.193 203 E C 2.255 178.938 176.600 0.138 0.000 0.988 203 E CA 1.164 57.654 56.400 0.150 0.000 0.804 203 E CB -0.160 29.598 29.700 0.098 0.000 0.745 203 E HN 0.623 nan 8.360 nan 0.000 0.458 204 S N -0.309 115.420 115.700 0.049 0.000 2.368 204 S HA -0.152 4.318 4.470 0.000 0.000 0.224 204 S C 1.839 176.577 174.600 0.230 0.000 1.029 204 S CA 0.834 59.090 58.200 0.093 0.000 0.988 204 S CB -0.185 63.033 63.200 0.030 0.000 0.838 204 S HN 0.258 nan 8.310 nan 0.000 0.462 205 Y N 0.286 120.597 120.300 0.017 0.000 2.224 205 Y HA 0.070 4.620 4.550 0.000 0.000 0.289 205 Y C 1.995 177.918 175.900 0.038 0.000 1.146 205 Y CA 0.258 58.335 58.100 -0.038 0.000 1.182 205 Y CB -1.068 37.285 38.460 -0.180 0.000 0.983 205 Y HN 0.334 nan 8.280 nan 0.000 0.524 206 F N 0.175 120.285 119.950 0.267 0.000 2.710 206 F HA 0.029 4.557 4.527 0.000 0.000 0.298 206 F C 0.836 176.751 175.800 0.192 0.000 1.137 206 F CA 0.191 58.339 58.000 0.245 0.000 1.444 206 F CB -0.292 38.875 39.000 0.278 0.000 1.111 206 F HN -0.025 nan 8.300 nan 0.000 0.580 207 Q N 0.442 120.436 119.800 0.322 0.000 2.468 207 Q HA -0.191 4.150 4.340 0.000 0.000 0.289 207 Q C 0.056 176.147 176.000 0.153 0.000 1.299 207 Q CA 0.761 56.678 55.803 0.191 0.000 0.838 207 Q CB -2.677 26.151 28.738 0.150 0.000 1.195 207 Q HN 0.222 nan 8.270 nan 0.000 0.456 208 T N -0.065 114.595 114.554 0.177 0.000 2.928 208 T HA 0.455 4.805 4.350 0.000 0.000 0.305 208 T C 0.790 175.526 174.700 0.059 0.000 1.035 208 T CA 0.584 62.749 62.100 0.110 0.000 1.145 208 T CB 1.312 70.254 68.868 0.122 0.000 0.963 208 T HN 0.492 nan 8.240 nan 0.000 0.545 209 G N 0.613 109.432 108.800 0.031 0.000 2.684 209 G HA2 0.551 4.511 3.960 0.000 0.000 0.290 209 G HA3 0.551 4.511 3.960 0.000 0.000 0.290 209 G C 0.008 174.918 174.900 0.017 0.000 1.425 209 G CA -0.552 44.557 45.100 0.015 0.000 0.822 209 G HN 0.636 nan 8.290 nan 0.000 0.482 210 T N -2.434 112.130 114.554 0.017 0.000 3.337 210 T HA 0.272 4.622 4.350 0.000 0.000 0.299 210 T C 0.072 174.789 174.700 0.028 0.000 0.998 210 T CA 0.485 62.605 62.100 0.034 0.000 0.948 210 T CB 0.383 69.276 68.868 0.041 0.000 1.170 210 T HN 0.487 nan 8.240 nan 0.000 0.508 211 D N 0.341 120.738 120.400 -0.006 0.000 2.500 211 D HA 0.058 4.698 4.640 0.000 0.000 0.217 211 D C 1.359 177.594 176.300 -0.109 0.000 1.159 211 D CA -0.034 53.940 54.000 -0.043 0.000 0.828 211 D CB -0.065 40.702 40.800 -0.054 0.000 1.039 211 D HN 0.290 nan 8.370 nan 0.000 0.512 212 Q N -0.394 119.341 119.800 -0.108 0.000 2.369 212 Q HA 0.153 4.493 4.340 0.000 0.000 0.206 212 Q C 0.262 175.894 176.000 -0.614 0.000 0.963 212 Q CA 0.847 56.459 55.803 -0.318 0.000 0.894 212 Q CB -0.219 28.314 28.738 -0.342 0.000 0.965 212 Q HN 0.263 nan 8.270 nan 0.000 0.475 213 F N -0.105 119.675 119.950 -0.283 0.000 2.698 213 F HA 0.239 4.766 4.527 0.000 0.000 0.304 213 F C 1.198 176.773 175.800 -0.375 0.000 1.108 213 F CA -0.571 57.214 58.000 -0.358 0.000 1.263 213 F CB 0.329 39.047 39.000 -0.470 0.000 1.013 213 F HN 0.001 nan 8.300 nan 0.000 0.532 214 K N 0.270 120.564 120.400 -0.175 0.000 2.283 214 K HA -0.085 4.235 4.320 0.000 0.000 0.202 214 K C 0.781 177.298 176.600 -0.138 0.000 1.048 214 K CA 1.615 57.852 56.287 -0.084 0.000 0.948 214 K CB -0.149 32.300 32.500 -0.084 0.000 0.742 214 K HN 0.304 nan 8.250 nan 0.000 0.458 215 E N 1.563 121.559 120.200 -0.339 0.000 2.499 215 E HA 0.050 4.400 4.350 0.000 0.000 0.199 215 E C -0.643 175.801 176.600 -0.260 0.000 1.016 215 E CA -0.343 55.635 56.400 -0.703 0.000 0.933 215 E CB 0.910 30.019 29.700 -0.985 0.000 1.050 215 E HN 0.231 nan 8.360 nan 0.000 0.462 216 S N 0.626 116.307 115.700 -0.032 0.000 2.531 216 S HA 0.128 4.598 4.470 0.000 0.000 0.279 216 S C 1.190 175.854 174.600 0.108 0.000 1.305 216 S CA -0.369 57.872 58.200 0.068 0.000 1.058 216 S CB 0.458 63.760 63.200 0.171 0.000 0.899 216 S HN 0.200 nan 8.310 nan 0.000 0.493 217 I N 4.950 125.462 120.570 -0.097 0.000 2.202 217 I HA -0.136 4.034 4.170 0.000 0.000 0.242 217 I C 2.711 178.652 176.117 -0.294 0.000 1.091 217 I CA 1.093 62.092 61.300 -0.501 0.000 1.368 217 I CB -0.207 37.273 38.000 -0.867 0.000 1.058 217 I HN 0.698 nan 8.210 nan 0.000 0.410 218 R N -0.474 119.948 120.500 -0.130 0.000 2.081 218 R HA -0.239 4.101 4.340 0.000 0.000 0.235 218 R C 2.355 178.685 176.300 0.050 0.000 1.131 218 R CA 1.806 57.882 56.100 -0.039 0.000 0.960 218 R CB -0.713 29.577 30.300 -0.017 0.000 0.856 218 R HN 0.431 nan 8.270 nan 0.000 0.436 219 H N 1.165 120.246 119.070 0.020 0.000 2.290 219 H HA -0.070 4.486 4.556 0.000 0.000 0.298 219 H C 1.793 177.184 175.328 0.104 0.000 1.087 219 H CA 1.955 58.038 56.048 0.058 0.000 1.291 219 H CB -0.078 29.749 29.762 0.108 0.000 1.369 219 H HN 0.127 nan 8.280 nan 0.000 0.492 220 N N 0.051 118.858 118.700 0.178 0.000 2.244 220 N HA -0.124 4.616 4.740 0.000 0.000 0.183 220 N C 2.007 177.659 175.510 0.237 0.000 1.016 220 N CA 0.963 54.159 53.050 0.244 0.000 0.866 220 N CB -0.235 38.597 38.487 0.575 0.000 0.980 220 N HN 0.305 nan 8.380 nan 0.000 0.430 221 L N 1.251 122.615 121.223 0.235 0.000 2.012 221 L HA -0.116 4.224 4.340 0.000 0.000 0.210 221 L C 2.116 179.040 176.870 0.089 0.000 1.073 221 L CA 1.364 56.343 54.840 0.232 0.000 0.748 221 L CB -0.551 41.597 42.059 0.149 0.000 0.891 221 L HN -0.115 nan 8.230 nan 0.000 0.431 222 V N -0.979 118.938 119.914 0.004 0.000 2.323 222 V HA -0.219 3.901 4.120 0.000 0.000 0.244 222 V C 2.398 178.415 176.094 -0.129 0.000 1.041 222 V CA 1.465 63.734 62.300 -0.051 0.000 1.025 222 V CB -0.585 31.185 31.823 -0.089 0.000 0.656 222 V HN 0.476 nan 8.190 nan 0.000 0.451 223 L N 1.063 122.172 121.223 -0.189 0.000 2.012 223 L HA -0.189 4.151 4.340 0.000 0.000 0.210 223 L C 2.198 178.998 176.870 -0.116 0.000 1.073 223 L CA 2.115 56.835 54.840 -0.199 0.000 0.748 223 L CB -0.957 40.955 42.059 -0.245 0.000 0.891 223 L HN 0.321 nan 8.230 nan 0.000 0.431 224 N N -0.197 118.486 118.700 -0.027 0.000 2.142 224 N HA -0.200 4.540 4.740 0.000 0.000 0.186 224 N C 1.846 177.339 175.510 -0.027 0.000 1.023 224 N CA 1.338 54.393 53.050 0.008 0.000 0.852 224 N CB -0.328 38.196 38.487 0.061 0.000 0.998 224 N HN 0.283 nan 8.380 nan 0.000 0.424 225 K N 1.339 121.720 120.400 -0.032 0.000 2.026 225 K HA 0.057 4.377 4.320 0.000 0.000 0.208 225 K C 1.907 178.458 176.600 -0.082 0.000 1.048 225 K CA 0.947 57.213 56.287 -0.034 0.000 0.929 225 K CB -0.402 32.096 32.500 -0.004 0.000 0.713 225 K HN 0.131 nan 8.250 nan 0.000 0.439 226 L N -0.082 121.012 121.223 -0.215 0.000 2.156 226 L HA -0.099 4.241 4.340 0.000 0.000 0.208 226 L C 2.176 178.851 176.870 -0.325 0.000 1.095 226 L CA 1.353 55.950 54.840 -0.405 0.000 0.770 226 L CB -0.638 40.770 42.059 -1.085 0.000 0.914 226 L HN 0.218 nan 8.230 nan 0.000 0.439 227 T N -0.654 113.761 114.554 -0.232 0.000 2.708 227 T HA -0.252 4.098 4.350 0.000 0.000 0.266 227 T C 1.765 176.526 174.700 0.102 0.000 1.037 227 T CA 1.709 63.846 62.100 0.061 0.000 1.146 227 T CB -0.097 68.818 68.868 0.079 0.000 0.865 227 T HN 0.402 nan 8.240 nan 0.000 0.435 228 E N 0.745 120.965 120.200 0.033 0.000 2.031 228 E HA -0.195 4.155 4.350 0.000 0.000 0.193 228 E C 2.163 178.773 176.600 0.017 0.000 0.994 228 E CA 1.093 57.506 56.400 0.022 0.000 0.800 228 E CB 0.011 29.706 29.700 -0.010 0.000 0.752 228 E HN 0.347 nan 8.360 nan 0.000 0.447 229 E N -0.413 119.784 120.200 -0.005 0.000 2.153 229 E HA -0.171 4.179 4.350 0.000 0.000 0.194 229 E C 0.827 177.310 176.600 -0.195 0.000 0.988 229 E CA 0.999 57.329 56.400 -0.116 0.000 0.811 229 E CB -0.026 29.573 29.700 -0.169 0.000 0.746 229 E HN 0.495 nan 8.360 nan 0.000 0.466 230 Y N 0.298 120.646 120.300 0.079 0.000 2.720 230 Y HA 0.217 4.767 4.550 0.000 0.000 0.277 230 Y C 0.461 176.432 175.900 0.118 0.000 1.144 230 Y CA -0.424 57.758 58.100 0.137 0.000 1.221 230 Y CB 0.348 38.985 38.460 0.294 0.000 1.163 230 Y HN -0.298 nan 8.280 nan 0.000 0.537 231 K N 0.764 121.267 120.400 0.172 0.000 2.453 231 K HA 0.163 4.483 4.320 0.000 0.000 0.280 231 K C 1.136 177.800 176.600 0.107 0.000 1.045 231 K CA 1.274 57.636 56.287 0.126 0.000 1.059 231 K CB -0.047 32.495 32.500 0.069 0.000 0.901 231 K HN 0.683 nan 8.250 nan 0.000 0.475 232 G N 3.165 112.028 108.800 0.106 0.000 2.176 232 G HA2 -0.294 3.666 3.960 0.000 0.000 0.253 232 G HA3 -0.294 3.666 3.960 0.000 0.000 0.253 232 G C 0.567 175.523 174.900 0.093 0.000 0.979 232 G CA 0.641 45.789 45.100 0.081 0.000 0.641 232 G HN 0.715 nan 8.290 nan 0.000 0.530 233 Q N -1.418 118.464 119.800 0.137 0.000 2.577 233 Q HA 0.313 4.653 4.340 0.000 0.000 0.242 233 Q C 1.110 177.189 176.000 0.131 0.000 0.818 233 Q CA 0.156 56.048 55.803 0.148 0.000 0.962 233 Q CB 0.969 29.831 28.738 0.206 0.000 1.272 233 Q HN 0.462 nan 8.270 nan 0.000 0.593 234 R N 0.437 121.020 120.500 0.138 0.000 2.698 234 R HA 0.396 4.736 4.340 0.000 0.000 0.275 234 R C -1.627 174.658 176.300 -0.026 0.000 1.001 234 R CA -0.716 55.356 56.100 -0.047 0.000 0.896 234 R CB 1.772 31.826 30.300 -0.409 0.000 1.218 234 R HN -0.027 nan 8.270 nan 0.000 0.462 235 D N 1.345 121.659 120.400 -0.144 0.000 2.185 235 D HA 0.417 5.057 4.640 0.000 0.000 0.247 235 D C -0.793 175.316 176.300 -0.317 0.000 1.027 235 D CA 0.054 54.010 54.000 -0.073 0.000 0.861 235 D CB 1.382 42.168 40.800 -0.024 0.000 1.202 235 D HN 0.145 nan 8.370 nan 0.000 0.453 236 F N 0.672 120.621 119.950 -0.000 0.000 2.546 236 F HA 0.354 4.881 4.527 0.000 0.000 0.320 236 F C 0.566 176.375 175.800 0.016 0.000 1.076 236 F CA -0.621 57.371 58.000 -0.014 0.000 0.928 236 F CB 1.910 40.895 39.000 -0.025 0.000 1.189 236 F HN 0.204 nan 8.300 nan 0.000 0.465 237 Q N 0.231 120.136 119.800 0.176 0.000 2.707 237 Q HA 0.365 4.705 4.340 0.000 0.000 0.307 237 Q C -1.500 174.608 176.000 0.180 0.000 0.934 237 Q CA -1.310 54.585 55.803 0.154 0.000 0.753 237 Q CB 1.790 30.585 28.738 0.096 0.000 1.478 237 Q HN 0.611 nan 8.270 nan 0.000 0.458 238 Q N 0.847 120.775 119.800 0.212 0.000 2.364 238 Q HA 0.219 4.559 4.340 0.000 0.000 0.267 238 Q C -0.541 175.527 176.000 0.114 0.000 0.999 238 Q CA -0.194 55.746 55.803 0.229 0.000 0.886 238 Q CB 0.520 29.359 28.738 0.169 0.000 1.243 238 Q HN 0.572 nan 8.270 nan 0.000 0.415 239 I N 6.726 127.343 120.570 0.078 0.000 2.821 239 I HA -0.081 4.089 4.170 0.000 0.000 0.294 239 I C -1.969 174.165 176.117 0.029 0.000 1.210 239 I CA -1.228 60.093 61.300 0.035 0.000 1.430 239 I CB 0.184 38.173 38.000 -0.018 0.000 1.356 239 I HN 0.462 nan 8.210 nan 0.000 0.563 240 P HA 0.214 nan 4.420 nan 0.000 0.271 240 P C -0.943 176.349 177.300 -0.012 0.000 1.233 240 P CA 0.160 63.263 63.100 0.005 0.000 0.764 240 P CB 0.420 32.111 31.700 -0.015 0.000 0.825 241 L N 2.443 123.669 121.223 0.005 0.000 2.386 241 L HA 0.631 4.971 4.340 0.000 0.000 0.271 241 L C 0.317 177.181 176.870 -0.010 0.000 0.993 241 L CA -1.170 53.670 54.840 0.000 0.000 0.819 241 L CB 2.129 44.255 42.059 0.111 0.000 1.294 241 L HN 0.240 nan 8.230 nan 0.000 0.414 242 A N 3.170 125.944 122.820 -0.076 0.000 2.671 242 A HA 0.758 5.079 4.320 0.000 0.000 0.306 242 A C 0.043 177.653 177.584 0.043 0.000 1.473 242 A CA 0.106 52.143 52.037 -0.000 0.000 1.155 242 A CB -0.336 18.613 19.000 -0.086 0.000 1.123 242 A HN 0.800 nan 8.150 nan 0.000 0.545 243 A N 1.842 124.654 122.820 -0.013 0.000 2.590 243 A HA 0.735 5.055 4.320 0.000 0.000 0.294 243 A C -0.511 176.960 177.584 -0.189 0.000 1.046 243 A CA -0.462 51.463 52.037 -0.188 0.000 0.684 243 A CB 0.764 19.456 19.000 -0.513 0.000 1.279 243 A HN 0.629 nan 8.150 nan 0.000 0.415 244 T N 1.379 115.790 114.554 -0.237 0.000 2.841 244 T HA 0.501 4.851 4.350 0.000 0.000 0.285 244 T C -0.085 174.460 174.700 -0.259 0.000 0.991 244 T CA -0.427 61.562 62.100 -0.184 0.000 0.966 244 T CB 1.231 70.051 68.868 -0.081 0.000 0.962 244 T HN 0.732 nan 8.240 nan 0.000 0.438 245 R N 2.287 122.624 120.500 -0.272 0.000 2.389 245 R HA 0.279 4.619 4.340 0.000 0.000 0.295 245 R C 0.733 176.949 176.300 -0.140 0.000 1.075 245 R CA -0.413 55.516 56.100 -0.285 0.000 1.005 245 R CB 0.396 30.492 30.300 -0.339 0.000 0.987 245 R HN 0.388 nan 8.270 nan 0.000 0.452 246 R N 1.097 121.572 120.500 -0.042 0.000 2.254 246 R HA 0.140 4.480 4.340 0.000 0.000 0.193 246 R C 0.094 176.385 176.300 -0.015 0.000 0.929 246 R CA 0.618 56.724 56.100 0.010 0.000 1.038 246 R CB 0.370 30.736 30.300 0.110 0.000 1.009 246 R HN 0.778 nan 8.270 nan 0.000 0.512 247 S N -1.554 114.139 115.700 -0.012 0.000 2.636 247 S HA 0.350 4.820 4.470 0.000 0.000 0.266 247 S C -2.677 171.889 174.600 -0.057 0.000 1.147 247 S CA -1.009 57.175 58.200 -0.026 0.000 0.815 247 S CB 2.034 65.239 63.200 0.008 0.000 1.119 247 S HN -0.256 nan 8.310 nan 0.000 0.470 248 P HA 0.054 nan 4.420 nan 0.000 0.225 248 P C 1.000 178.265 177.300 -0.057 0.000 1.148 248 P CA 1.606 64.658 63.100 -0.080 0.000 0.779 248 P CB -0.192 31.479 31.700 -0.048 0.000 0.780 249 T N -6.587 107.968 114.554 0.002 0.000 3.145 249 T HA 0.299 4.649 4.350 0.000 0.000 0.281 249 T C -0.256 174.504 174.700 0.100 0.000 1.003 249 T CA -0.366 61.758 62.100 0.040 0.000 0.901 249 T CB -0.593 68.316 68.868 0.068 0.000 1.112 249 T HN -0.128 nan 8.240 nan 0.000 0.535 250 F N 1.463 121.352 119.950 -0.103 0.000 2.573 250 F HA 0.653 5.180 4.527 0.000 0.000 0.316 250 F C -1.619 174.050 175.800 -0.218 0.000 1.148 250 F CA -1.082 56.852 58.000 -0.110 0.000 0.940 250 F CB 1.998 40.953 39.000 -0.075 0.000 1.214 250 F HN -0.101 nan 8.300 nan 0.000 0.448 251 V N 5.143 124.594 119.914 -0.771 0.000 2.448 251 V HA 0.290 4.410 4.120 0.000 0.000 0.295 251 V C -0.426 175.055 176.094 -1.022 0.000 1.025 251 V CA -0.853 60.945 62.300 -0.838 0.000 0.859 251 V CB 1.689 32.824 31.823 -1.145 0.000 0.988 251 V HN 0.723 nan 8.190 nan 0.000 0.431 252 E N 4.449 124.348 120.200 -0.502 0.000 1.996 252 E HA 0.166 4.516 4.350 0.000 0.000 0.280 252 E C -1.064 175.344 176.600 -0.320 0.000 1.092 252 E CA -0.535 55.745 56.400 -0.200 0.000 0.862 252 E CB 0.434 30.183 29.700 0.081 0.000 1.066 252 E HN 0.624 nan 8.360 nan 0.000 0.396 253 W N 2.950 124.139 121.300 -0.185 0.000 2.190 253 W HA 0.130 4.790 4.660 0.000 0.000 0.330 253 W C 0.628 177.172 176.519 0.042 0.000 1.299 253 W CA -0.517 56.699 57.345 -0.216 0.000 1.215 253 W CB 0.905 29.997 29.460 -0.613 0.000 1.147 253 W HN 0.327 nan 8.180 nan 0.000 0.563 254 S N 1.609 117.520 115.700 0.352 0.000 2.624 254 S HA 0.612 5.082 4.470 0.000 0.000 0.263 254 S C 0.148 175.204 174.600 0.760 0.000 1.287 254 S CA -0.550 57.933 58.200 0.472 0.000 0.990 254 S CB 1.148 64.632 63.200 0.474 0.000 0.950 254 S HN 0.518 nan 8.310 nan 0.000 0.561 255 S N -0.447 115.642 115.700 0.648 0.000 2.724 255 S HA 0.677 5.147 4.470 0.000 0.000 0.278 255 S C 0.786 175.596 174.600 0.349 0.000 1.190 255 S CA -0.323 58.196 58.200 0.532 0.000 0.860 255 S CB 0.475 63.906 63.200 0.384 0.000 1.206 255 S HN 0.734 nan 8.310 nan 0.000 0.507 256 A N 1.647 124.566 122.820 0.165 0.000 1.927 256 A HA -0.209 4.111 4.320 0.000 0.000 0.220 256 A C 2.024 179.659 177.584 0.085 0.000 1.185 256 A CA 2.256 54.342 52.037 0.082 0.000 0.639 256 A CB -1.612 17.408 19.000 0.033 0.000 0.820 256 A HN 0.866 nan 8.150 nan 0.000 0.451 257 N N -0.601 118.159 118.700 0.099 0.000 2.149 257 N HA -0.163 4.577 4.740 0.000 0.000 0.188 257 N C 1.584 177.123 175.510 0.049 0.000 1.019 257 N CA 2.110 55.192 53.050 0.054 0.000 0.857 257 N CB -0.263 38.268 38.487 0.075 0.000 0.997 257 N HN 0.488 nan 8.380 nan 0.000 0.426 258 T N 0.601 115.234 114.554 0.132 0.000 2.746 258 T HA -0.073 4.277 4.350 0.000 0.000 0.267 258 T C 2.093 176.826 174.700 0.056 0.000 1.039 258 T CA 1.241 63.420 62.100 0.132 0.000 1.142 258 T CB -0.290 68.734 68.868 0.261 0.000 0.866 258 T HN 0.059 nan 8.240 nan 0.000 0.444 259 V N -0.471 119.460 119.914 0.028 0.000 2.307 259 V HA 0.124 4.244 4.120 0.000 0.000 0.245 259 V C 0.548 176.594 176.094 -0.081 0.000 1.045 259 V CA 1.027 63.262 62.300 -0.108 0.000 1.024 259 V CB -0.391 31.323 31.823 -0.182 0.000 0.651 259 V HN 0.496 nan 8.190 nan 0.000 0.449 260 F N 0.812 120.632 119.950 -0.216 0.000 2.623 260 F HA 0.367 4.894 4.527 0.000 0.000 0.323 260 F C 0.274 175.954 175.800 -0.199 0.000 1.158 260 F CA -1.544 56.300 58.000 -0.261 0.000 1.030 260 F CB 1.362 40.151 39.000 -0.350 0.000 1.280 260 F HN 0.145 nan 8.300 nan 0.000 0.474 261 D N 4.928 124.881 120.400 -0.745 0.000 2.348 261 D HA -0.085 4.555 4.640 0.000 0.000 0.216 261 D C 1.228 177.260 176.300 -0.446 0.000 0.970 261 D CA 1.258 54.968 54.000 -0.483 0.000 0.889 261 D CB -0.015 40.554 40.800 -0.384 0.000 0.912 261 D HN 0.703 nan 8.370 nan 0.000 0.524 262 L N -2.065 118.733 121.223 -0.708 0.000 4.696 262 L HA -0.234 4.106 4.340 0.000 0.000 0.425 262 L C -0.279 176.572 176.870 -0.032 0.000 1.115 262 L CA 0.440 55.146 54.840 -0.223 0.000 0.996 262 L CB -1.342 40.722 42.059 0.008 0.000 2.077 262 L HN 0.224 nan 8.230 nan 0.000 0.792 263 Q N 1.097 120.775 119.800 -0.203 0.000 2.332 263 Q HA 0.222 4.562 4.340 0.000 0.000 0.263 263 Q C 0.371 176.433 176.000 0.103 0.000 0.979 263 Q CA -0.046 55.719 55.803 -0.062 0.000 0.885 263 Q CB 0.607 29.272 28.738 -0.123 0.000 1.218 263 Q HN 0.134 nan 8.270 nan 0.000 0.405 264 N N 2.168 120.919 118.700 0.086 0.000 2.407 264 N HA 0.046 4.786 4.740 0.000 0.000 0.250 264 N C -0.253 175.308 175.510 0.086 0.000 1.236 264 N CA 0.485 53.581 53.050 0.077 0.000 0.879 264 N CB 0.557 38.997 38.487 -0.079 0.000 1.088 264 N HN 0.267 nan 8.380 nan 0.000 0.450 265 R N 1.344 121.919 120.500 0.124 0.000 2.744 265 R HA 0.476 4.816 4.340 0.000 0.000 0.279 265 R C -2.517 173.814 176.300 0.051 0.000 0.977 265 R CA -1.667 54.492 56.100 0.098 0.000 0.906 265 R CB 1.688 32.075 30.300 0.145 0.000 1.197 265 R HN 0.339 nan 8.270 nan 0.000 0.463 266 P HA 0.067 nan 4.420 nan 0.000 0.269 266 P C -1.255 176.087 177.300 0.070 0.000 1.209 266 P CA -0.164 62.999 63.100 0.105 0.000 0.776 266 P CB 0.563 32.380 31.700 0.195 0.000 0.876 267 N N -1.201 117.533 118.700 0.057 0.000 2.853 267 N HA 0.261 5.001 4.740 0.000 0.000 0.258 267 N C 0.393 175.918 175.510 0.025 0.000 1.444 267 N CA -0.803 52.264 53.050 0.030 0.000 0.837 267 N CB -0.447 38.044 38.487 0.007 0.000 1.489 267 N HN 0.021 nan 8.380 nan 0.000 0.529 268 T N -0.910 113.651 114.554 0.011 0.000 2.803 268 T HA -0.116 4.235 4.350 0.000 0.000 0.269 268 T C 0.377 175.079 174.700 0.004 0.000 1.052 268 T CA 1.572 63.677 62.100 0.008 0.000 1.136 268 T CB -0.393 68.475 68.868 0.000 0.000 0.864 268 T HN 0.514 nan 8.240 nan 0.000 0.467 269 D N 0.822 121.219 120.400 -0.004 0.000 2.289 269 D HA 0.189 4.829 4.640 0.000 0.000 0.207 269 D C 0.809 177.110 176.300 0.001 0.000 0.966 269 D CA 0.402 54.396 54.000 -0.009 0.000 0.868 269 D CB 0.208 40.992 40.800 -0.028 0.000 0.943 269 D HN 0.377 nan 8.370 nan 0.000 0.514 270 A N 1.307 124.136 122.820 0.014 0.000 3.216 270 A HA 0.338 4.658 4.320 0.000 0.000 0.321 270 A C -1.983 175.643 177.584 0.070 0.000 1.042 270 A CA -0.908 51.151 52.037 0.036 0.000 0.838 270 A CB 1.045 20.064 19.000 0.033 0.000 1.136 270 A HN -0.156 nan 8.150 nan 0.000 0.483 271 P HA -0.080 nan 4.420 nan 0.000 0.226 271 P C 0.526 177.939 177.300 0.189 0.000 1.153 271 P CA 1.126 64.286 63.100 0.099 0.000 0.777 271 P CB 0.429 32.161 31.700 0.053 0.000 0.794 272 E N -0.385 119.929 120.200 0.191 0.000 2.498 272 E HA 0.126 4.476 4.350 0.000 0.000 0.203 272 E C 0.212 176.977 176.600 0.274 0.000 1.013 272 E CA 0.007 56.594 56.400 0.311 0.000 0.927 272 E CB 0.559 30.367 29.700 0.180 0.000 1.012 272 E HN 0.474 nan 8.360 nan 0.000 0.482 273 E N 1.291 121.585 120.200 0.157 0.000 2.250 273 E HA 0.397 4.747 4.350 0.000 0.000 0.269 273 E C -0.252 176.351 176.600 0.005 0.000 1.018 273 E CA -0.393 56.054 56.400 0.078 0.000 0.873 273 E CB 1.292 31.050 29.700 0.097 0.000 1.134 273 E HN -0.123 nan 8.360 nan 0.000 0.403 274 R N 1.990 122.473 120.500 -0.029 0.000 2.473 274 R HA 0.425 4.765 4.340 0.000 0.000 0.303 274 R C -1.544 174.822 176.300 0.110 0.000 1.002 274 R CA -0.559 55.499 56.100 -0.071 0.000 0.884 274 R CB 1.011 31.150 30.300 -0.268 0.000 1.173 274 R HN 0.398 nan 8.270 nan 0.000 0.464 275 F N 2.216 122.139 119.950 -0.045 0.000 2.604 275 F HA 0.439 4.966 4.527 0.000 0.000 0.316 275 F C -1.722 174.010 175.800 -0.113 0.000 1.136 275 F CA -0.684 57.289 58.000 -0.045 0.000 0.989 275 F CB 2.021 41.068 39.000 0.078 0.000 1.258 275 F HN 0.386 nan 8.300 nan 0.000 0.451 276 N N 4.809 122.835 118.700 -1.124 0.000 2.346 276 N HA 0.578 5.318 4.740 0.000 0.000 0.289 276 N C -2.000 172.454 175.510 -1.761 0.000 1.027 276 N CA -0.619 51.689 53.050 -1.236 0.000 0.864 276 N CB 2.363 40.329 38.487 -0.868 0.000 1.370 276 N HN 0.598 nan 8.380 nan 0.000 0.481 277 L N 2.611 123.010 121.223 -1.373 0.000 2.282 277 L HA 0.627 4.967 4.340 0.000 0.000 0.288 277 L C -1.601 174.681 176.870 -0.980 0.000 1.033 277 L CA -0.256 54.036 54.840 -0.914 0.000 0.807 277 L CB 0.129 42.025 42.059 -0.272 0.000 1.209 277 L HN 0.460 nan 8.230 nan 0.000 0.423 278 F N 6.479 126.155 119.950 -0.457 0.000 2.359 278 F HA 0.522 5.049 4.527 0.000 0.000 0.370 278 F C -2.090 173.641 175.800 -0.114 0.000 1.077 278 F CA -2.171 55.657 58.000 -0.286 0.000 1.136 278 F CB 0.472 39.259 39.000 -0.355 0.000 1.387 278 F HN 0.415 nan 8.300 nan 0.000 0.468 279 P HA 0.249 nan 4.420 nan 0.000 0.274 279 P C 0.088 177.435 177.300 0.079 0.000 1.246 279 P CA -0.136 62.995 63.100 0.052 0.000 0.795 279 P CB 0.964 32.675 31.700 0.019 0.000 1.006 280 A N -0.641 122.211 122.820 0.053 0.000 2.745 280 A HA -0.109 4.211 4.320 0.000 0.000 0.296 280 A C -0.032 177.573 177.584 0.034 0.000 1.500 280 A CA 0.739 52.799 52.037 0.039 0.000 0.766 280 A CB -2.403 16.619 19.000 0.038 0.000 1.030 280 A HN 0.260 nan 8.150 nan 0.000 0.489 281 V N -0.227 119.723 119.914 0.060 0.000 2.376 281 V HA 0.656 4.776 4.120 0.000 0.000 0.287 281 V C 0.632 176.723 176.094 -0.004 0.000 1.015 281 V CA -0.330 62.003 62.300 0.055 0.000 0.834 281 V CB 1.479 33.426 31.823 0.207 0.000 1.001 281 V HN 1.461 nan 8.190 nan 0.000 0.428 282 A N 4.258 127.046 122.820 -0.055 0.000 2.396 282 A HA 0.411 4.731 4.320 0.000 0.000 0.279 282 A C 0.191 177.737 177.584 -0.064 0.000 1.165 282 A CA -0.147 51.848 52.037 -0.070 0.000 0.824 282 A CB -0.217 18.779 19.000 -0.006 0.000 1.100 282 A HN 0.876 nan 8.150 nan 0.000 0.516 283 C N 3.097 122.339 119.300 -0.095 0.000 2.394 283 C HA 0.316 4.776 4.460 0.000 0.000 0.362 283 C C 1.378 176.333 174.990 -0.058 0.000 1.268 283 C CA -0.264 58.687 59.018 -0.112 0.000 1.828 283 C CB -0.551 27.116 27.740 -0.121 0.000 2.442 283 C HN 1.011 nan 8.230 nan 0.000 0.549 284 E N 0.990 121.186 120.200 -0.005 0.000 2.290 284 E HA 0.129 4.479 4.350 0.000 0.000 0.199 284 E C 0.226 176.836 176.600 0.017 0.000 0.912 284 E CA 0.435 56.859 56.400 0.041 0.000 0.924 284 E CB 0.495 30.287 29.700 0.154 0.000 0.901 284 E HN 0.634 nan 8.360 nan 0.000 0.487 285 R N 0.399 120.919 120.500 0.033 0.000 2.629 285 R HA 0.292 4.632 4.340 0.000 0.000 0.266 285 R C -1.191 175.103 176.300 -0.010 0.000 1.051 285 R CA -0.554 55.547 56.100 0.000 0.000 0.895 285 R CB 2.360 32.647 30.300 -0.021 0.000 1.246 285 R HN -0.094 nan 8.270 nan 0.000 0.459 286 V N -0.495 119.394 119.914 -0.042 0.000 2.532 286 V HA 0.634 4.754 4.120 0.000 0.000 0.295 286 V C -0.062 175.986 176.094 -0.077 0.000 1.041 286 V CA -0.814 61.427 62.300 -0.098 0.000 0.926 286 V CB 1.784 33.510 31.823 -0.162 0.000 0.992 286 V HN 0.414 nan 8.190 nan 0.000 0.457 287 V N 5.154 125.004 119.914 -0.107 0.000 2.348 287 V HA 0.438 4.558 4.120 0.000 0.000 0.270 287 V C 0.619 176.682 176.094 -0.052 0.000 1.037 287 V CA -0.472 61.785 62.300 -0.071 0.000 0.872 287 V CB 0.669 32.463 31.823 -0.048 0.000 1.002 287 V HN 0.923 nan 8.190 nan 0.000 0.464 288 R N 3.931 124.418 120.500 -0.023 0.000 2.490 288 R HA 0.249 4.589 4.340 0.000 0.000 0.280 288 R C 0.452 176.775 176.300 0.037 0.000 1.077 288 R CA -0.524 55.619 56.100 0.072 0.000 1.065 288 R CB 0.547 30.867 30.300 0.033 0.000 1.003 288 R HN 0.864 nan 8.270 nan 0.000 0.470 289 N N 1.777 120.513 118.700 0.059 0.000 2.326 289 N HA -0.042 4.698 4.740 0.000 0.000 0.239 289 N C 0.574 176.073 175.510 -0.018 0.000 1.301 289 N CA 0.270 53.325 53.050 0.009 0.000 0.909 289 N CB 0.452 38.941 38.487 0.003 0.000 1.156 289 N HN 0.581 nan 8.380 nan 0.000 0.462 290 A N 0.530 123.333 122.820 -0.029 0.000 1.972 290 A HA -0.054 4.266 4.320 0.000 0.000 0.219 290 A C 2.211 179.762 177.584 -0.056 0.000 1.169 290 A CA 0.870 52.884 52.037 -0.038 0.000 0.635 290 A CB -0.782 18.199 19.000 -0.031 0.000 0.810 290 A HN 0.659 nan 8.150 nan 0.000 0.446 291 L N -0.788 120.393 121.223 -0.071 0.000 2.465 291 L HA -0.069 4.271 4.340 0.000 0.000 0.224 291 L C 0.066 176.832 176.870 -0.174 0.000 1.145 291 L CA 0.106 54.885 54.840 -0.101 0.000 0.834 291 L CB -0.480 41.522 42.059 -0.095 0.000 0.944 291 L HN 0.417 nan 8.230 nan 0.000 0.451 292 N N 0.089 118.671 118.700 -0.198 0.000 2.725 292 N HA -0.182 4.558 4.740 0.000 0.000 0.251 292 N C 0.850 175.752 175.510 -1.014 0.000 1.031 292 N CA 1.051 53.855 53.050 -0.410 0.000 0.720 292 N CB -1.176 37.217 38.487 -0.156 0.000 0.930 292 N HN 0.535 nan 8.380 nan 0.000 0.543 293 S N -2.153 113.097 115.700 -0.751 0.000 2.632 293 S HA 0.270 4.741 4.470 0.000 0.000 0.237 293 S C 0.274 174.646 174.600 -0.380 0.000 1.037 293 S CA -0.226 57.594 58.200 -0.634 0.000 1.009 293 S CB 1.559 64.600 63.200 -0.265 0.000 0.974 293 S HN 0.399 nan 8.310 nan 0.000 0.544 294 E N 0.289 120.386 120.200 -0.171 0.000 2.375 294 E HA 0.438 4.788 4.350 0.000 0.000 0.280 294 E C -1.756 175.028 176.600 0.307 0.000 0.972 294 E CA -0.832 55.674 56.400 0.176 0.000 0.782 294 E CB 1.325 31.089 29.700 0.106 0.000 1.229 294 E HN 0.084 nan 8.360 nan 0.000 0.439 295 I N 3.521 124.230 120.570 0.232 0.000 2.365 295 I HA 0.153 4.323 4.170 0.000 0.000 0.291 295 I C 0.822 176.875 176.117 -0.108 0.000 1.004 295 I CA -0.012 61.255 61.300 -0.054 0.000 1.311 295 I CB 1.366 39.099 38.000 -0.445 0.000 1.401 295 I HN 0.691 nan 8.210 nan 0.000 0.491 296 E N 3.194 123.333 120.200 -0.101 0.000 2.389 296 E HA 0.086 4.436 4.350 0.000 0.000 0.199 296 E C 0.257 176.886 176.600 0.047 0.000 0.978 296 E CA 0.348 56.757 56.400 0.015 0.000 0.912 296 E CB 0.572 30.290 29.700 0.029 0.000 0.907 296 E HN 0.723 nan 8.360 nan 0.000 0.494 297 S N -0.535 115.114 115.700 -0.085 0.000 2.627 297 S HA 0.466 4.936 4.470 0.000 0.000 0.268 297 S C -1.586 172.998 174.600 -0.026 0.000 1.130 297 S CA -1.062 57.181 58.200 0.072 0.000 0.819 297 S CB 1.130 64.390 63.200 0.101 0.000 1.100 297 S HN 0.009 nan 8.310 nan 0.000 0.465 298 L N 1.959 123.266 121.223 0.140 0.000 2.325 298 L HA 0.650 4.990 4.340 0.000 0.000 0.281 298 L C -0.788 176.092 176.870 0.018 0.000 1.004 298 L CA -0.189 54.684 54.840 0.054 0.000 0.823 298 L CB 1.204 43.311 42.059 0.080 0.000 1.236 298 L HN 1.002 nan 8.230 nan 0.000 0.415 299 H N 5.419 124.447 119.070 -0.070 0.000 2.723 299 H HA 0.545 5.101 4.556 0.000 0.000 0.294 299 H C -0.401 174.873 175.328 -0.091 0.000 1.079 299 H CA -0.049 55.961 56.048 -0.063 0.000 1.411 299 H CB 0.491 30.221 29.762 -0.053 0.000 1.439 299 H HN 0.642 nan 8.280 nan 0.000 0.474 300 I N 1.678 121.949 120.570 -0.498 0.000 2.797 300 I HA 0.438 4.609 4.170 0.000 0.000 0.307 300 I C -1.049 174.935 176.117 -0.222 0.000 1.033 300 I CA -0.997 60.100 61.300 -0.338 0.000 1.071 300 I CB 2.485 40.231 38.000 -0.423 0.000 1.255 300 I HN 0.645 nan 8.210 nan 0.000 0.445 301 H N 3.196 122.168 119.070 -0.162 0.000 2.906 301 H HA 0.218 4.774 4.556 0.000 0.000 0.324 301 H C -1.509 173.829 175.328 0.016 0.000 0.973 301 H CA -0.705 55.304 56.048 -0.066 0.000 1.321 301 H CB 1.465 31.210 29.762 -0.027 0.000 1.535 301 H HN 0.779 nan 8.280 nan 0.000 0.518 302 D N 5.711 126.154 120.400 0.071 0.000 2.358 302 D HA -0.001 4.639 4.640 0.000 0.000 0.258 302 D C 1.151 177.331 176.300 -0.199 0.000 1.223 302 D CA -0.071 53.931 54.000 0.004 0.000 0.886 302 D CB 0.979 41.878 40.800 0.165 0.000 1.120 302 D HN 0.683 nan 8.370 nan 0.000 0.482 303 L N 4.118 125.205 121.223 -0.228 0.000 2.395 303 L HA -0.100 4.240 4.340 0.000 0.000 0.218 303 L C 1.814 178.634 176.870 -0.083 0.000 1.130 303 L CA 0.094 54.785 54.840 -0.249 0.000 0.826 303 L CB -0.073 41.918 42.059 -0.113 0.000 0.941 303 L HN 0.502 nan 8.230 nan 0.000 0.451 304 I N -0.383 120.174 120.570 -0.023 0.000 2.296 304 I HA -0.135 4.035 4.170 0.000 0.000 0.242 304 I C 2.754 178.891 176.117 0.034 0.000 1.087 304 I CA 1.616 62.925 61.300 0.016 0.000 1.393 304 I CB -1.236 36.785 38.000 0.034 0.000 1.093 304 I HN 0.249 nan 8.210 nan 0.000 0.421 305 S N 0.431 116.164 115.700 0.056 0.000 2.436 305 S HA 0.103 4.573 4.470 0.000 0.000 0.228 305 S C 1.856 176.503 174.600 0.079 0.000 1.014 305 S CA 0.841 59.086 58.200 0.075 0.000 0.950 305 S CB -0.081 63.186 63.200 0.112 0.000 0.784 305 S HN 0.608 nan 8.310 nan 0.000 0.504 306 G N 1.034 109.891 108.800 0.095 0.000 2.176 306 G HA2 -0.198 3.762 3.960 0.000 0.000 0.253 306 G HA3 -0.198 3.762 3.960 0.000 0.000 0.253 306 G C -0.411 174.608 174.900 0.199 0.000 0.979 306 G CA 0.140 45.353 45.100 0.189 0.000 0.641 306 G HN 0.556 nan 8.290 nan 0.000 0.530 307 D N 0.738 121.210 120.400 0.120 0.000 2.382 307 D HA 0.482 5.122 4.640 0.000 0.000 0.245 307 D C 1.019 177.283 176.300 -0.060 0.000 1.120 307 D CA 0.234 54.202 54.000 -0.054 0.000 0.890 307 D CB 0.605 41.340 40.800 -0.108 0.000 1.201 307 D HN 0.436 nan 8.370 nan 0.000 0.433 308 R N 1.226 121.532 120.500 -0.324 0.000 2.604 308 R HA 0.655 4.995 4.340 0.000 0.000 0.287 308 R C -0.636 175.291 176.300 -0.622 0.000 0.970 308 R CA -0.666 55.246 56.100 -0.313 0.000 0.946 308 R CB 1.309 31.472 30.300 -0.229 0.000 1.127 308 R HN 0.298 nan 8.270 nan 0.000 0.473 309 F N -0.214 119.592 119.950 -0.239 0.000 2.626 309 F HA 0.313 4.840 4.527 0.000 0.000 0.311 309 F C -0.014 175.673 175.800 -0.190 0.000 1.088 309 F CA -1.008 56.893 58.000 -0.164 0.000 0.949 309 F CB 2.050 40.961 39.000 -0.148 0.000 1.322 309 F HN 0.158 nan 8.300 nan 0.000 0.461 310 E N 2.815 123.094 120.200 0.132 0.000 2.113 310 E HA 0.373 4.724 4.350 0.000 0.000 0.273 310 E C -0.877 175.790 176.600 0.112 0.000 0.924 310 E CA -0.396 56.071 56.400 0.112 0.000 0.764 310 E CB 1.966 31.746 29.700 0.133 0.000 1.104 310 E HN 0.311 nan 8.360 nan 0.000 0.406 311 I N 2.698 123.312 120.570 0.074 0.000 2.353 311 I HA 0.233 4.404 4.170 0.000 0.000 0.293 311 I C 0.391 176.627 176.117 0.199 0.000 0.992 311 I CA -0.788 60.577 61.300 0.109 0.000 1.268 311 I CB 1.136 39.144 38.000 0.012 0.000 1.387 311 I HN 0.200 nan 8.210 nan 0.000 0.478 312 K N 4.996 125.509 120.400 0.189 0.000 2.159 312 K HA 0.805 5.125 4.320 0.000 0.000 0.266 312 K C -1.009 175.666 176.600 0.125 0.000 0.975 312 K CA -0.320 56.088 56.287 0.202 0.000 0.865 312 K CB 1.645 34.227 32.500 0.135 0.000 1.087 312 K HN 0.796 nan 8.250 nan 0.000 0.446 313 A N 2.683 125.506 122.820 0.006 0.000 2.594 313 A HA 0.385 4.705 4.320 0.000 0.000 0.291 313 A C -0.497 176.986 177.584 -0.169 0.000 1.105 313 A CA -0.659 51.246 52.037 -0.219 0.000 0.694 313 A CB 0.979 19.644 19.000 -0.558 0.000 1.291 313 A HN 0.742 nan 8.150 nan 0.000 0.410 314 D N -0.542 119.795 120.400 -0.106 0.000 2.149 314 D HA 0.112 4.753 4.640 0.000 0.000 0.201 314 D C 0.254 176.479 176.300 -0.126 0.000 0.972 314 D CA 1.739 55.747 54.000 0.013 0.000 0.835 314 D CB 0.217 41.077 40.800 0.100 0.000 0.966 314 D HN 0.224 nan 8.370 nan 0.000 0.476 315 V N 0.637 120.317 119.914 -0.389 0.000 2.686 315 V HA 0.259 4.379 4.120 0.000 0.000 0.306 315 V C -1.373 174.468 176.094 -0.422 0.000 1.065 315 V CA -0.890 61.184 62.300 -0.378 0.000 0.894 315 V CB 1.909 33.358 31.823 -0.624 0.000 1.004 315 V HN -0.079 nan 8.190 nan 0.000 0.424 316 Y N 3.048 123.338 120.300 -0.018 0.000 2.341 316 Y HA 0.725 5.275 4.550 0.000 0.000 0.338 316 Y C -0.096 175.770 175.900 -0.057 0.000 0.965 316 Y CA -0.957 57.119 58.100 -0.040 0.000 1.108 316 Y CB 2.159 40.601 38.460 -0.031 0.000 1.180 316 Y HN 0.358 nan 8.280 nan 0.000 0.458 317 V N 5.415 125.292 119.914 -0.062 0.000 2.487 317 V HA 0.405 4.525 4.120 0.000 0.000 0.298 317 V C -0.533 175.429 176.094 -0.220 0.000 1.028 317 V CA -0.932 61.213 62.300 -0.257 0.000 0.860 317 V CB 1.798 33.231 31.823 -0.650 0.000 0.991 317 V HN 0.593 nan 8.190 nan 0.000 0.427 318 L N 5.130 126.224 121.223 -0.215 0.000 2.277 318 L HA 0.538 4.878 4.340 0.000 0.000 0.284 318 L C 0.338 177.111 176.870 -0.163 0.000 1.028 318 L CA -0.186 54.549 54.840 -0.174 0.000 0.835 318 L CB 1.589 43.523 42.059 -0.208 0.000 1.215 318 L HN 0.822 nan 8.230 nan 0.000 0.425 319 T N -1.769 112.724 114.554 -0.102 0.000 3.483 319 T HA 0.328 4.678 4.350 0.000 0.000 0.258 319 T C 0.757 175.466 174.700 0.015 0.000 1.013 319 T CA -0.109 61.974 62.100 -0.028 0.000 1.078 319 T CB 0.998 69.852 68.868 -0.023 0.000 1.111 319 T HN 0.515 nan 8.240 nan 0.000 0.538 320 A N 0.844 123.680 122.820 0.025 0.000 2.278 320 A HA 0.734 5.054 4.320 0.000 0.000 0.212 320 A C 1.421 179.082 177.584 0.128 0.000 1.213 320 A CA 0.135 52.210 52.037 0.063 0.000 0.840 320 A CB -0.847 18.185 19.000 0.053 0.000 0.866 320 A HN 1.699 nan 8.150 nan 0.000 0.489 321 G N -2.691 106.182 108.800 0.123 0.000 2.662 321 G HA2 0.261 4.221 3.960 0.000 0.000 0.686 321 G HA3 0.261 4.221 3.960 0.000 0.000 0.686 321 G C 0.729 175.729 174.900 0.168 0.000 1.271 321 G CA -0.300 44.881 45.100 0.136 0.000 0.816 321 G HN 1.275 nan 8.290 nan 0.000 0.608 322 A N -0.365 122.541 122.820 0.145 0.000 1.972 322 A HA 0.219 4.539 4.320 0.000 0.000 0.219 322 A C 2.608 180.283 177.584 0.151 0.000 1.169 322 A CA 3.170 55.294 52.037 0.145 0.000 0.635 322 A CB -0.288 18.764 19.000 0.087 0.000 0.810 322 A HN 1.569 nan 8.150 nan 0.000 0.446 323 V N -1.187 118.765 119.914 0.064 0.000 2.379 323 V HA -0.157 3.963 4.120 0.000 0.000 0.243 323 V C 2.199 178.301 176.094 0.012 0.000 1.035 323 V CA 2.030 64.334 62.300 0.005 0.000 1.035 323 V CB -0.942 30.770 31.823 -0.185 0.000 0.673 323 V HN 0.728 nan 8.190 nan 0.000 0.457 324 H N -0.186 118.963 119.070 0.131 0.000 2.470 324 H HA -0.025 4.531 4.556 0.000 0.000 0.289 324 H C 2.286 177.616 175.328 0.003 0.000 1.033 324 H CA 1.029 57.110 56.048 0.055 0.000 1.331 324 H CB 0.097 29.866 29.762 0.011 0.000 1.414 324 H HN 0.314 nan 8.280 nan 0.000 0.545 325 N N -0.025 118.750 118.700 0.124 0.000 2.069 325 N HA -0.135 4.605 4.740 0.000 0.000 0.191 325 N C 1.788 177.283 175.510 -0.026 0.000 1.031 325 N CA 1.892 54.941 53.050 -0.003 0.000 0.852 325 N CB -0.581 37.866 38.487 -0.067 0.000 1.018 325 N HN 0.331 nan 8.380 nan 0.000 0.423 326 T N 0.888 115.508 114.554 0.110 0.000 2.746 326 T HA -0.186 4.164 4.350 0.000 0.000 0.267 326 T C 1.859 176.473 174.700 -0.144 0.000 1.039 326 T CA 1.224 63.399 62.100 0.124 0.000 1.142 326 T CB -0.245 68.835 68.868 0.353 0.000 0.866 326 T HN 0.368 nan 8.240 nan 0.000 0.444 327 Q N 0.042 119.671 119.800 -0.285 0.000 2.050 327 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 327 Q C 2.305 178.049 176.000 -0.427 0.000 0.980 327 Q CA 1.096 56.396 55.803 -0.839 0.000 0.840 327 Q CB -0.235 28.310 28.738 -0.322 0.000 0.898 327 Q HN 0.326 nan 8.270 nan 0.000 0.424 328 L N 0.775 121.880 121.223 -0.196 0.000 2.017 328 L HA -0.169 4.171 4.340 0.000 0.000 0.208 328 L C 2.098 178.891 176.870 -0.128 0.000 1.073 328 L CA 1.615 56.373 54.840 -0.137 0.000 0.745 328 L CB -0.839 41.159 42.059 -0.102 0.000 0.894 328 L HN 0.327 nan 8.230 nan 0.000 0.432 329 L N -1.839 119.291 121.223 -0.155 0.000 2.012 329 L HA -0.233 4.107 4.340 0.000 0.000 0.210 329 L C 2.437 179.345 176.870 0.063 0.000 1.073 329 L CA 1.098 55.873 54.840 -0.108 0.000 0.748 329 L CB -0.642 41.243 42.059 -0.290 0.000 0.891 329 L HN 0.094 nan 8.230 nan 0.000 0.431 330 V N -0.118 119.759 119.914 -0.062 0.000 2.407 330 V HA -0.272 3.848 4.120 0.000 0.000 0.248 330 V C 2.114 178.178 176.094 -0.050 0.000 1.055 330 V CA 2.009 64.286 62.300 -0.038 0.000 1.049 330 V CB -0.693 31.047 31.823 -0.137 0.000 0.662 330 V HN 0.490 nan 8.190 nan 0.000 0.455 331 N N 0.006 118.637 118.700 -0.115 0.000 2.453 331 N HA -0.100 4.641 4.740 0.000 0.000 0.183 331 N C 1.574 177.062 175.510 -0.037 0.000 1.041 331 N CA 1.169 54.173 53.050 -0.077 0.000 0.900 331 N CB -0.039 38.391 38.487 -0.094 0.000 0.961 331 N HN 0.392 nan 8.380 nan 0.000 0.443 332 S N -1.568 114.135 115.700 0.006 0.000 2.556 332 S HA 0.317 4.788 4.470 0.000 0.000 0.216 332 S C 1.083 175.656 174.600 -0.044 0.000 0.970 332 S CA 0.293 58.505 58.200 0.020 0.000 0.912 332 S CB 0.557 63.831 63.200 0.123 0.000 0.790 332 S HN 0.548 nan 8.310 nan 0.000 0.504 333 G N 1.047 109.827 108.800 -0.033 0.000 2.159 333 G HA2 -0.221 3.739 3.960 0.000 0.000 0.227 333 G HA3 -0.221 3.739 3.960 0.000 0.000 0.227 333 G C -0.069 174.734 174.900 -0.160 0.000 0.986 333 G CA -0.581 44.452 45.100 -0.111 0.000 0.651 333 G HN 0.410 nan 8.290 nan 0.000 0.523 334 F N 0.894 120.818 119.950 -0.044 0.000 2.371 334 F HA 0.533 5.060 4.527 0.000 0.000 0.329 334 F C 1.705 177.515 175.800 0.017 0.000 1.107 334 F CA 0.998 58.986 58.000 -0.020 0.000 1.137 334 F CB 0.871 39.830 39.000 -0.068 0.000 1.214 334 F HN 0.701 nan 8.300 nan 0.000 0.536 335 G N 1.811 110.756 108.800 0.243 0.000 2.614 335 G HA2 -0.312 3.648 3.960 0.000 0.000 0.303 335 G HA3 -0.312 3.648 3.960 0.000 0.000 0.303 335 G C -0.635 174.340 174.900 0.124 0.000 1.270 335 G CA 0.313 45.519 45.100 0.176 0.000 0.988 335 G HN 0.831 nan 8.290 nan 0.000 0.551 336 Q N -1.221 118.659 119.800 0.133 0.000 2.289 336 Q HA 0.617 4.957 4.340 0.000 0.000 0.270 336 Q C -1.149 174.936 176.000 0.141 0.000 1.038 336 Q CA -0.978 54.886 55.803 0.101 0.000 0.812 336 Q CB 1.769 30.549 28.738 0.070 0.000 1.300 336 Q HN 0.804 nan 8.270 nan 0.000 0.427 337 L N 3.443 124.737 121.223 0.118 0.000 2.371 337 L HA 0.774 5.114 4.340 0.000 0.000 0.272 337 L C 0.377 177.337 176.870 0.150 0.000 1.124 337 L CA 1.881 56.818 54.840 0.161 0.000 0.816 337 L CB 1.061 43.188 42.059 0.112 0.000 1.129 337 L HN 0.844 nan 8.230 nan 0.000 0.448 338 G N 3.655 112.607 108.800 0.252 0.000 2.728 338 G HA2 -0.220 3.740 3.960 0.000 0.000 0.294 338 G HA3 -0.220 3.740 3.960 0.000 0.000 0.294 338 G C -0.490 174.332 174.900 -0.131 0.000 1.342 338 G CA -0.266 44.945 45.100 0.186 0.000 0.866 338 G HN 0.887 nan 8.290 nan 0.000 0.534 339 R N 0.876 121.062 120.500 -0.524 0.000 2.458 339 R HA 0.343 4.683 4.340 0.000 0.000 0.303 339 R C -1.896 173.985 176.300 -0.699 0.000 1.013 339 R CA -0.678 54.675 56.100 -1.245 0.000 1.026 339 R CB -0.066 29.779 30.300 -0.759 0.000 0.948 339 R HN 0.329 nan 8.270 nan 0.000 0.417 340 P HA -0.104 nan 4.420 nan 0.000 0.261 340 P C -1.230 175.919 177.300 -0.252 0.000 1.173 340 P CA 0.621 63.508 63.100 -0.354 0.000 0.760 340 P CB 0.347 31.864 31.700 -0.306 0.000 0.783 341 N N 3.612 122.221 118.700 -0.153 0.000 2.573 341 N HA 0.254 4.994 4.740 0.000 0.000 0.262 341 N C -1.881 173.587 175.510 -0.070 0.000 1.029 341 N CA -1.884 51.101 53.050 -0.108 0.000 0.882 341 N CB 1.135 39.569 38.487 -0.089 0.000 1.204 341 N HN 0.167 nan 8.380 nan 0.000 0.519 342 P HA 0.061 nan 4.420 nan 0.000 0.241 342 P C 0.619 177.903 177.300 -0.027 0.000 1.191 342 P CA 0.304 63.381 63.100 -0.039 0.000 0.771 342 P CB 0.280 31.956 31.700 -0.041 0.000 0.929 343 A N -0.437 122.365 122.820 -0.031 0.000 2.235 343 A HA -0.021 4.299 4.320 0.000 0.000 0.208 343 A C 1.266 178.839 177.584 -0.019 0.000 1.172 343 A CA 0.698 52.722 52.037 -0.022 0.000 0.786 343 A CB -0.818 18.167 19.000 -0.024 0.000 0.804 343 A HN 0.101 nan 8.150 nan 0.000 0.479 344 N N -0.025 118.662 118.700 -0.021 0.000 2.687 344 N HA 0.253 4.993 4.740 0.000 0.000 0.275 344 N C -3.366 172.139 175.510 -0.009 0.000 1.789 344 N CA -1.599 51.442 53.050 -0.016 0.000 0.806 344 N CB 0.646 39.120 38.487 -0.021 0.000 1.256 344 N HN -0.031 nan 8.380 nan 0.000 0.500 345 P HA 0.215 nan 4.420 nan 0.000 0.269 345 P C -2.422 174.891 177.300 0.021 0.000 1.209 345 P CA -0.615 62.493 63.100 0.013 0.000 0.776 345 P CB 0.054 31.765 31.700 0.019 0.000 0.876 346 P HA 0.114 nan 4.420 nan 0.000 0.274 346 P C 0.679 178.006 177.300 0.045 0.000 1.246 346 P CA -0.132 62.994 63.100 0.043 0.000 0.795 346 P CB 1.141 32.882 31.700 0.068 0.000 1.006 347 E N -0.102 120.120 120.200 0.035 0.000 2.028 347 E HA -0.023 4.327 4.350 0.000 0.000 0.190 347 E C 0.187 176.822 176.600 0.059 0.000 0.984 347 E CA 0.801 57.219 56.400 0.031 0.000 0.800 347 E CB 0.021 29.725 29.700 0.008 0.000 0.758 347 E HN 0.373 nan 8.360 nan 0.000 0.448 348 L N 1.257 122.526 121.223 0.078 0.000 2.317 348 L HA 0.268 4.608 4.340 0.000 0.000 0.281 348 L C 0.075 177.076 176.870 0.219 0.000 1.024 348 L CA -0.611 54.319 54.840 0.150 0.000 0.810 348 L CB 1.672 43.790 42.059 0.099 0.000 1.240 348 L HN 0.177 nan 8.230 nan 0.000 0.427 349 L N 3.673 125.047 121.223 0.251 0.000 3.746 349 L HA -0.180 4.160 4.340 0.000 0.000 0.542 349 L C -1.496 175.488 176.870 0.191 0.000 1.268 349 L CA -0.513 54.471 54.840 0.241 0.000 0.818 349 L CB -0.880 41.348 42.059 0.282 0.000 1.472 349 L HN 0.591 nan 8.230 nan 0.000 0.843 350 P HA -0.103 nan 4.420 nan 0.000 0.225 350 P C 1.236 178.634 177.300 0.162 0.000 1.148 350 P CA 1.008 64.187 63.100 0.133 0.000 0.779 350 P CB 0.334 32.094 31.700 0.099 0.000 0.780 351 S N -0.750 115.065 115.700 0.192 0.000 2.548 351 S HA 0.074 4.544 4.470 0.000 0.000 0.215 351 S C 0.791 175.550 174.600 0.265 0.000 0.976 351 S CA -0.411 57.950 58.200 0.268 0.000 0.908 351 S CB -0.620 62.723 63.200 0.239 0.000 0.781 351 S HN 0.070 nan 8.310 nan 0.000 0.519 352 L N 2.345 123.701 121.223 0.222 0.000 2.513 352 L HA 0.400 4.740 4.340 0.000 0.000 0.272 352 L C 1.167 178.177 176.870 0.233 0.000 1.187 352 L CA 1.185 56.157 54.840 0.221 0.000 0.895 352 L CB -0.299 41.878 42.059 0.196 0.000 1.147 352 L HN 0.338 nan 8.230 nan 0.000 0.483 353 G N 2.333 111.280 108.800 0.245 0.000 2.179 353 G HA2 -0.265 3.695 3.960 0.000 0.000 0.260 353 G HA3 -0.265 3.695 3.960 0.000 0.000 0.260 353 G C 0.423 175.445 174.900 0.204 0.000 0.977 353 G CA 0.327 45.570 45.100 0.238 0.000 0.641 353 G HN 0.821 nan 8.290 nan 0.000 0.533 354 S N -1.602 114.225 115.700 0.210 0.000 2.704 354 S HA 0.654 5.124 4.470 0.000 0.000 0.305 354 S C 0.374 175.119 174.600 0.242 0.000 1.107 354 S CA 0.068 58.333 58.200 0.109 0.000 0.993 354 S CB 0.902 64.083 63.200 -0.032 0.000 1.110 354 S HN 0.912 nan 8.310 nan 0.000 0.534 355 Y N -0.861 119.505 120.300 0.111 0.000 4.177 355 Y HA -0.207 4.343 4.550 0.000 0.000 0.227 355 Y C 0.512 176.491 175.900 0.133 0.000 1.154 355 Y CA 0.242 58.405 58.100 0.105 0.000 1.887 355 Y CB -2.099 36.418 38.460 0.096 0.000 1.594 355 Y HN 0.603 nan 8.280 nan 0.000 0.668 356 I N -0.172 120.545 120.570 0.244 0.000 2.696 356 I HA 0.498 4.668 4.170 0.000 0.000 0.284 356 I C 0.654 176.936 176.117 0.275 0.000 1.129 356 I CA 0.383 61.831 61.300 0.247 0.000 1.410 356 I CB 1.322 39.470 38.000 0.246 0.000 1.399 356 I HN 0.190 nan 8.210 nan 0.000 0.579 357 T N 1.782 116.458 114.554 0.203 0.000 2.876 357 T HA 0.684 5.034 4.350 0.000 0.000 0.289 357 T C -0.690 174.034 174.700 0.040 0.000 1.014 357 T CA -0.691 61.514 62.100 0.174 0.000 0.986 357 T CB 2.072 70.989 68.868 0.082 0.000 1.021 357 T HN 0.833 nan 8.240 nan 0.000 0.458 358 E N 1.114 121.317 120.200 0.005 0.000 2.356 358 E HA 0.359 4.709 4.350 0.000 0.000 0.275 358 E C -1.099 175.620 176.600 0.197 0.000 0.904 358 E CA -0.565 55.803 56.400 -0.054 0.000 0.757 358 E CB 2.049 31.514 29.700 -0.392 0.000 1.232 358 E HN 0.705 nan 8.360 nan 0.000 0.442 359 Q N 1.122 121.049 119.800 0.212 0.000 2.327 359 Q HA 0.420 4.760 4.340 0.000 0.000 0.254 359 Q C -0.439 175.772 176.000 0.353 0.000 0.952 359 Q CA -0.343 55.638 55.803 0.296 0.000 0.884 359 Q CB 1.223 30.174 28.738 0.355 0.000 1.224 359 Q HN 0.468 nan 8.270 nan 0.000 0.422 360 S N 1.624 117.459 115.700 0.226 0.000 2.564 360 S HA 0.295 4.765 4.470 0.000 0.000 0.278 360 S C -0.662 174.006 174.600 0.114 0.000 1.333 360 S CA -0.433 57.776 58.200 0.015 0.000 1.048 360 S CB 0.345 63.451 63.200 -0.158 0.000 0.900 360 S HN 0.371 nan 8.310 nan 0.000 0.505 361 L N 4.884 126.147 121.223 0.067 0.000 2.409 361 L HA 0.700 5.041 4.340 0.000 0.000 0.272 361 L C -0.754 175.996 176.870 -0.200 0.000 0.980 361 L CA -0.656 54.118 54.840 -0.109 0.000 0.826 361 L CB 1.589 43.565 42.059 -0.139 0.000 1.268 361 L HN 0.470 nan 8.230 nan 0.000 0.407 362 V N 2.061 121.765 119.914 -0.349 0.000 2.769 362 V HA 0.757 4.877 4.120 0.000 0.000 0.312 362 V C -0.971 174.978 176.094 -0.243 0.000 1.058 362 V CA -0.667 61.345 62.300 -0.479 0.000 0.952 362 V CB 1.684 33.033 31.823 -0.790 0.000 1.019 362 V HN 0.809 nan 8.190 nan 0.000 0.445 363 F N 4.337 124.069 119.950 -0.364 0.000 2.608 363 F HA 0.858 5.385 4.527 0.000 0.000 0.309 363 F C -0.420 175.244 175.800 -0.226 0.000 1.103 363 F CA -0.241 57.627 58.000 -0.221 0.000 0.954 363 F CB 1.487 40.399 39.000 -0.146 0.000 1.267 363 F HN 1.216 nan 8.300 nan 0.000 0.444 364 C N 2.793 121.396 119.300 -1.162 0.000 3.320 364 C HA 0.806 5.266 4.460 0.000 0.000 0.335 364 C C -1.711 172.671 174.990 -1.013 0.000 1.430 364 C CA -0.704 57.651 59.018 -1.105 0.000 1.271 364 C CB 1.680 29.036 27.740 -0.641 0.000 1.609 364 C HN 0.964 nan 8.230 nan 0.000 0.457 365 Q N 0.603 120.069 119.800 -0.558 0.000 2.387 365 Q HA 0.766 5.106 4.340 0.000 0.000 0.273 365 Q C -0.508 175.506 176.000 0.022 0.000 1.089 365 Q CA -0.235 55.471 55.803 -0.162 0.000 0.824 365 Q CB 2.641 31.280 28.738 -0.165 0.000 1.367 365 Q HN 0.938 nan 8.270 nan 0.000 0.443 366 T N -2.572 112.074 114.554 0.154 0.000 2.908 366 T HA 0.672 5.022 4.350 0.000 0.000 0.290 366 T C -0.525 174.223 174.700 0.080 0.000 1.034 366 T CA -0.729 61.429 62.100 0.097 0.000 1.010 366 T CB 1.231 70.159 68.868 0.102 0.000 1.068 366 T HN 0.259 nan 8.240 nan 0.000 0.481 367 V N 3.129 123.058 119.914 0.025 0.000 2.347 367 V HA 0.379 4.499 4.120 0.000 0.000 0.280 367 V C 0.425 176.522 176.094 0.006 0.000 1.021 367 V CA -0.885 61.422 62.300 0.013 0.000 0.847 367 V CB 0.993 32.814 31.823 -0.003 0.000 0.990 367 V HN 1.024 nan 8.190 nan 0.000 0.444 368 M N 4.873 124.485 119.600 0.020 0.000 2.245 368 M HA 0.079 4.559 4.480 0.000 0.000 0.335 368 M C 0.883 177.184 176.300 0.001 0.000 1.155 368 M CA 0.728 56.041 55.300 0.023 0.000 1.055 368 M CB 0.606 33.220 32.600 0.023 0.000 1.670 368 M HN 0.914 nan 8.290 nan 0.000 0.447 369 S N 2.387 118.085 115.700 -0.002 0.000 2.579 369 S HA 0.093 4.563 4.470 0.000 0.000 0.275 369 S C 1.009 175.606 174.600 -0.004 0.000 1.345 369 S CA -0.174 58.016 58.200 -0.017 0.000 1.031 369 S CB 0.567 63.752 63.200 -0.024 0.000 0.892 369 S HN 0.805 nan 8.310 nan 0.000 0.529 370 T N 1.871 116.419 114.554 -0.009 0.000 2.699 370 T HA -0.165 4.185 4.350 0.000 0.000 0.268 370 T C 1.609 176.314 174.700 0.008 0.000 1.036 370 T CA 1.992 64.092 62.100 -0.000 0.000 1.147 370 T CB -0.528 68.337 68.868 -0.005 0.000 0.862 370 T HN 0.785 nan 8.240 nan 0.000 0.446 371 E N 0.428 120.629 120.200 0.002 0.000 2.058 371 E HA -0.092 4.258 4.350 0.000 0.000 0.194 371 E C 2.247 178.863 176.600 0.026 0.000 0.997 371 E CA 0.984 57.389 56.400 0.007 0.000 0.801 371 E CB -0.252 29.445 29.700 -0.005 0.000 0.746 371 E HN 0.417 nan 8.360 nan 0.000 0.450 372 L N 0.666 121.906 121.223 0.029 0.000 2.056 372 L HA -0.185 4.155 4.340 0.000 0.000 0.207 372 L C 2.395 179.305 176.870 0.067 0.000 1.078 372 L CA 0.444 55.317 54.840 0.054 0.000 0.749 372 L CB -0.237 41.852 42.059 0.051 0.000 0.901 372 L HN 0.221 nan 8.230 nan 0.000 0.433 373 I N -0.054 120.543 120.570 0.044 0.000 2.179 373 I HA -0.286 3.884 4.170 0.000 0.000 0.242 373 I C 2.151 178.302 176.117 0.056 0.000 1.088 373 I CA 1.517 62.841 61.300 0.040 0.000 1.357 373 I CB -1.104 36.908 38.000 0.021 0.000 1.051 373 I HN 0.286 nan 8.210 nan 0.000 0.409 374 D N 0.764 121.194 120.400 0.050 0.000 2.149 374 D HA -0.142 4.498 4.640 0.000 0.000 0.198 374 D C 2.345 178.694 176.300 0.082 0.000 0.990 374 D CA 1.663 55.696 54.000 0.056 0.000 0.839 374 D CB -0.102 40.721 40.800 0.038 0.000 0.948 374 D HN 0.382 nan 8.370 nan 0.000 0.460 375 S N -0.083 115.675 115.700 0.097 0.000 2.442 375 S HA -0.107 4.363 4.470 0.000 0.000 0.236 375 S C 2.154 176.908 174.600 0.258 0.000 1.007 375 S CA 0.655 58.943 58.200 0.146 0.000 0.965 375 S CB -0.491 62.787 63.200 0.131 0.000 0.773 375 S HN 0.083 nan 8.310 nan 0.000 0.504 376 V N 2.925 122.970 119.914 0.218 0.000 2.392 376 V HA -0.161 3.959 4.120 0.000 0.000 0.249 376 V C 2.211 178.455 176.094 0.251 0.000 1.059 376 V CA 2.126 64.589 62.300 0.271 0.000 1.051 376 V CB -0.803 31.092 31.823 0.119 0.000 0.658 376 V HN 0.824 nan 8.190 nan 0.000 0.455 377 K N 0.276 120.776 120.400 0.166 0.000 2.498 377 K HA 0.181 4.501 4.320 0.000 0.000 0.207 377 K C 1.624 178.289 176.600 0.107 0.000 1.033 377 K CA 0.673 57.037 56.287 0.129 0.000 1.138 377 K CB 0.191 32.750 32.500 0.098 0.000 0.860 377 K HN 0.406 nan 8.250 nan 0.000 0.490 378 S N 0.992 116.767 115.700 0.125 0.000 2.402 378 S HA -0.193 4.277 4.470 0.000 0.000 0.233 378 S C 1.042 175.655 174.600 0.021 0.000 1.030 378 S CA 1.451 59.684 58.200 0.055 0.000 1.003 378 S CB -0.283 62.923 63.200 0.010 0.000 0.813 378 S HN 0.326 nan 8.310 nan 0.000 0.477 379 D N 0.636 121.057 120.400 0.035 0.000 2.339 379 D HA 0.230 4.870 4.640 0.000 0.000 0.217 379 D C 0.182 176.520 176.300 0.062 0.000 1.050 379 D CA 0.251 54.258 54.000 0.010 0.000 0.856 379 D CB -0.025 40.755 40.800 -0.034 0.000 0.922 379 D HN 0.375 nan 8.370 nan 0.000 0.518 380 M N 0.540 120.180 119.600 0.067 0.000 2.235 380 M HA 0.197 4.677 4.480 0.000 0.000 0.351 380 M C 0.307 176.636 176.300 0.048 0.000 1.178 380 M CA 0.170 55.518 55.300 0.080 0.000 1.143 380 M CB 0.968 33.610 32.600 0.071 0.000 1.530 380 M HN -0.319 nan 8.290 nan 0.000 0.461 381 T N 4.454 119.029 114.554 0.035 0.000 2.771 381 T HA 0.706 5.056 4.350 0.000 0.000 0.281 381 T C -0.025 174.655 174.700 -0.033 0.000 0.982 381 T CA -0.375 61.726 62.100 0.002 0.000 0.978 381 T CB 0.744 69.608 68.868 -0.006 0.000 0.930 381 T HN 0.440 nan 8.240 nan 0.000 0.447 382 I N 3.733 124.283 120.570 -0.034 0.000 2.436 382 I HA 0.530 4.700 4.170 0.000 0.000 0.289 382 I C 0.157 176.242 176.117 -0.053 0.000 1.010 382 I CA -0.775 60.478 61.300 -0.079 0.000 1.098 382 I CB 1.598 39.593 38.000 -0.008 0.000 1.266 382 I HN 0.345 nan 8.210 nan 0.000 0.434 383 R N 3.556 123.990 120.500 -0.110 0.000 2.795 383 R HA 0.817 5.157 4.340 0.000 0.000 0.275 383 R C -0.076 176.238 176.300 0.024 0.000 0.981 383 R CA -0.727 55.353 56.100 -0.032 0.000 0.917 383 R CB 2.164 32.439 30.300 -0.042 0.000 1.202 383 R HN 0.853 nan 8.270 nan 0.000 0.469 384 G N 0.556 109.408 108.800 0.087 0.000 2.681 384 G HA2 -0.241 3.719 3.960 0.000 0.000 0.220 384 G HA3 -0.241 3.719 3.960 0.000 0.000 0.220 384 G C -0.885 174.159 174.900 0.239 0.000 1.353 384 G CA -0.400 44.788 45.100 0.146 0.000 0.872 384 G HN 0.653 nan 8.290 nan 0.000 0.557 385 T N 0.273 114.946 114.554 0.199 0.000 2.812 385 T HA 0.649 4.999 4.350 0.000 0.000 0.282 385 T C -2.772 171.873 174.700 -0.092 0.000 0.990 385 T CA -1.328 60.821 62.100 0.081 0.000 0.960 385 T CB 2.253 71.137 68.868 0.026 0.000 0.948 385 T HN 0.509 nan 8.240 nan 0.000 0.438 386 P HA 0.224 nan 4.420 nan 0.000 0.263 386 P C 1.211 178.302 177.300 -0.349 0.000 1.175 386 P CA 1.270 63.872 63.100 -0.831 0.000 0.761 386 P CB 0.172 31.476 31.700 -0.660 0.000 0.794 387 G N 1.560 110.194 108.800 -0.277 0.000 2.175 387 G HA2 -0.211 3.749 3.960 0.000 0.000 0.244 387 G HA3 -0.211 3.749 3.960 0.000 0.000 0.244 387 G C -0.028 174.838 174.900 -0.056 0.000 0.982 387 G CA -0.218 44.809 45.100 -0.122 0.000 0.641 387 G HN 0.544 nan 8.290 nan 0.000 0.527 388 E N -0.997 119.181 120.200 -0.035 0.000 2.249 388 E HA 0.642 4.992 4.350 0.000 0.000 0.263 388 E C 1.263 177.896 176.600 0.055 0.000 0.950 388 E CA -0.647 55.761 56.400 0.013 0.000 0.827 388 E CB 1.859 31.569 29.700 0.017 0.000 1.220 388 E HN 0.089 nan 8.360 nan 0.000 0.411 389 L N 1.290 122.538 121.223 0.042 0.000 2.151 389 L HA -0.257 4.083 4.340 0.000 0.000 0.215 389 L C 2.072 178.977 176.870 0.058 0.000 1.084 389 L CA 2.251 57.117 54.840 0.043 0.000 0.764 389 L CB -0.259 41.816 42.059 0.027 0.000 0.891 389 L HN 0.763 nan 8.230 nan 0.000 0.435 390 T N -4.021 110.575 114.554 0.071 0.000 3.067 390 T HA -0.112 4.239 4.350 0.000 0.000 0.257 390 T C 0.677 175.443 174.700 0.110 0.000 1.105 390 T CA -0.245 61.898 62.100 0.070 0.000 1.104 390 T CB -0.498 68.408 68.868 0.063 0.000 0.925 390 T HN 0.249 nan 8.240 nan 0.000 0.498 391 Y N 2.752 123.049 120.300 -0.004 0.000 2.620 391 Y HA 0.422 4.972 4.550 0.000 0.000 0.330 391 Y C 0.188 176.085 175.900 -0.004 0.000 1.186 391 Y CA -0.678 57.420 58.100 -0.003 0.000 1.467 391 Y CB 0.385 38.841 38.460 -0.006 0.000 1.262 391 Y HN 0.183 nan 8.280 nan 0.000 0.550 392 S N 5.164 120.589 115.700 -0.459 0.000 2.677 392 S HA 0.666 5.136 4.470 0.000 0.000 0.283 392 S C -1.988 172.317 174.600 -0.492 0.000 1.159 392 S CA -0.709 57.271 58.200 -0.366 0.000 1.001 392 S CB 0.545 63.641 63.200 -0.173 0.000 1.032 392 S HN 0.450 nan 8.310 nan 0.000 0.487 393 V N 4.848 124.539 119.914 -0.372 0.000 2.409 393 V HA 0.745 4.865 4.120 0.000 0.000 0.291 393 V C 0.209 176.260 176.094 -0.072 0.000 1.020 393 V CA -0.449 61.719 62.300 -0.220 0.000 0.848 393 V CB 1.331 33.054 31.823 -0.167 0.000 0.990 393 V HN 0.999 nan 8.190 nan 0.000 0.430 394 T N 1.831 116.371 114.554 -0.023 0.000 2.883 394 T HA 0.878 5.228 4.350 0.000 0.000 0.296 394 T C -1.017 173.752 174.700 0.115 0.000 1.117 394 T CA -0.739 61.365 62.100 0.006 0.000 1.006 394 T CB 2.347 71.174 68.868 -0.069 0.000 1.191 394 T HN 0.807 nan 8.240 nan 0.000 0.508 395 Y N -1.836 118.451 120.300 -0.021 0.000 2.644 395 Y HA 0.759 5.309 4.550 0.000 0.000 0.338 395 Y C -0.823 175.067 175.900 -0.018 0.000 1.119 395 Y CA -1.316 56.774 58.100 -0.017 0.000 1.060 395 Y CB 0.809 39.266 38.460 -0.005 0.000 1.294 395 Y HN 0.633 nan 8.280 nan 0.000 0.472 396 T N 4.170 118.743 114.554 0.031 0.000 2.762 396 T HA 0.375 4.725 4.350 0.000 0.000 0.303 396 T C -2.780 171.941 174.700 0.034 0.000 0.977 396 T CA -1.280 60.786 62.100 -0.057 0.000 0.961 396 T CB 0.453 69.317 68.868 -0.007 0.000 0.944 396 T HN 0.341 nan 8.240 nan 0.000 0.481 397 P HA 0.250 nan 4.420 nan 0.000 0.267 397 P C 1.085 178.429 177.300 0.073 0.000 1.205 397 P CA 0.599 63.754 63.100 0.090 0.000 0.765 397 P CB 0.404 32.100 31.700 -0.006 0.000 0.828 398 G N 2.156 111.013 108.800 0.096 0.000 2.179 398 G HA2 -0.210 3.750 3.960 0.000 0.000 0.260 398 G HA3 -0.210 3.750 3.960 0.000 0.000 0.260 398 G C 0.429 175.342 174.900 0.022 0.000 0.977 398 G CA -0.027 45.102 45.100 0.048 0.000 0.641 398 G HN 0.853 nan 8.290 nan 0.000 0.533 399 A N 0.731 123.566 122.820 0.024 0.000 2.492 399 A HA 0.636 4.956 4.320 0.000 0.000 0.254 399 A C 1.735 179.306 177.584 -0.020 0.000 1.091 399 A CA 1.219 53.257 52.037 0.001 0.000 0.768 399 A CB 0.271 19.274 19.000 0.005 0.000 1.028 399 A HN 1.679 nan 8.150 nan 0.000 0.498 400 S N 1.809 117.495 115.700 -0.024 0.000 2.442 400 S HA -0.172 4.298 4.470 0.000 0.000 0.236 400 S C 1.491 176.057 174.600 -0.055 0.000 1.007 400 S CA 1.618 59.797 58.200 -0.036 0.000 0.965 400 S CB -0.873 62.311 63.200 -0.027 0.000 0.773 400 S HN 1.131 nan 8.310 nan 0.000 0.504 401 T N -0.746 113.777 114.554 -0.052 0.000 3.085 401 T HA 0.130 4.480 4.350 0.000 0.000 0.263 401 T C 0.498 175.139 174.700 -0.098 0.000 1.127 401 T CA -0.235 61.825 62.100 -0.067 0.000 1.103 401 T CB -0.640 68.198 68.868 -0.050 0.000 0.921 401 T HN 0.217 nan 8.240 nan 0.000 0.510 402 N N 2.375 121.015 118.700 -0.099 0.000 2.458 402 N HA 0.137 4.877 4.740 0.000 0.000 0.258 402 N C 1.014 176.365 175.510 -0.265 0.000 1.219 402 N CA -0.189 52.769 53.050 -0.154 0.000 0.902 402 N CB 0.836 39.253 38.487 -0.117 0.000 1.076 402 N HN 0.146 nan 8.380 nan 0.000 0.455 403 K N 1.179 121.327 120.400 -0.421 0.000 2.296 403 K HA 0.014 4.334 4.320 0.000 0.000 0.200 403 K C 0.048 176.094 176.600 -0.923 0.000 1.048 403 K CA 1.036 56.919 56.287 -0.674 0.000 0.966 403 K CB 0.028 32.009 32.500 -0.865 0.000 0.754 403 K HN 0.576 nan 8.250 nan 0.000 0.466 404 H N -0.177 118.568 119.070 -0.541 0.000 2.747 404 H HA 0.314 4.870 4.556 0.000 0.000 0.371 404 H C -2.327 172.657 175.328 -0.573 0.000 1.161 404 H CA -2.379 53.177 56.048 -0.819 0.000 1.167 404 H CB 1.703 30.550 29.762 -1.525 0.000 1.732 404 H HN -0.129 nan 8.280 nan 0.000 0.544 405 P HA 0.014 nan 4.420 nan 0.000 0.274 405 P C 0.242 177.312 177.300 -0.384 0.000 1.246 405 P CA -0.258 62.622 63.100 -0.366 0.000 0.795 405 P CB 1.438 32.894 31.700 -0.407 0.000 1.006 406 D N 0.221 120.534 120.400 -0.144 0.000 2.149 406 D HA -0.146 4.494 4.640 0.000 0.000 0.198 406 D C 1.958 178.258 176.300 -0.001 0.000 0.990 406 D CA 1.359 55.350 54.000 -0.015 0.000 0.839 406 D CB -0.545 40.351 40.800 0.161 0.000 0.948 406 D HN 0.616 nan 8.370 nan 0.000 0.460 407 W N 0.361 121.728 121.300 0.110 0.000 2.342 407 W HA -0.164 4.496 4.660 0.000 0.000 0.297 407 W C 1.987 178.578 176.519 0.119 0.000 1.213 407 W CA 0.198 57.606 57.345 0.104 0.000 1.251 407 W CB -1.374 28.142 29.460 0.093 0.000 1.136 407 W HN 0.055 nan 8.180 nan 0.000 0.526 408 W N 3.497 124.320 121.300 -0.795 0.000 2.353 408 W HA -0.196 4.464 4.660 0.000 0.000 0.319 408 W C 1.975 178.233 176.519 -0.435 0.000 1.207 408 W CA 1.909 58.801 57.345 -0.756 0.000 1.291 408 W CB -1.103 27.641 29.460 -1.194 0.000 1.159 408 W HN -0.101 nan 8.180 nan 0.000 0.478 409 N N 0.914 119.528 118.700 -0.143 0.000 2.149 409 N HA -0.211 4.529 4.740 0.000 0.000 0.188 409 N C 1.520 176.768 175.510 -0.437 0.000 1.019 409 N CA 1.990 54.755 53.050 -0.475 0.000 0.857 409 N CB -0.708 37.062 38.487 -1.194 0.000 0.997 409 N HN 0.239 nan 8.380 nan 0.000 0.426 410 E N 1.368 121.457 120.200 -0.186 0.000 2.077 410 E HA -0.102 4.248 4.350 0.000 0.000 0.193 410 E C 1.617 178.283 176.600 0.109 0.000 0.989 410 E CA 1.379 57.860 56.400 0.135 0.000 0.800 410 E CB 0.055 29.887 29.700 0.221 0.000 0.746 410 E HN 0.302 nan 8.360 nan 0.000 0.452 411 K N -0.537 119.911 120.400 0.080 0.000 2.026 411 K HA -0.087 4.233 4.320 0.000 0.000 0.208 411 K C 2.151 178.772 176.600 0.036 0.000 1.048 411 K CA 1.396 57.719 56.287 0.061 0.000 0.929 411 K CB -0.165 32.356 32.500 0.035 0.000 0.713 411 K HN 0.019 nan 8.250 nan 0.000 0.439 412 V N 2.112 122.018 119.914 -0.014 0.000 2.295 412 V HA -0.259 3.861 4.120 0.000 0.000 0.246 412 V C 2.414 178.560 176.094 0.087 0.000 1.049 412 V CA 1.660 63.968 62.300 0.013 0.000 1.024 412 V CB -0.424 31.403 31.823 0.007 0.000 0.648 412 V HN 0.345 nan 8.190 nan 0.000 0.447 413 K N 0.263 120.715 120.400 0.086 0.000 2.032 413 K HA -0.248 4.072 4.320 0.000 0.000 0.209 413 K C 1.996 178.655 176.600 0.099 0.000 1.048 413 K CA 2.062 58.424 56.287 0.126 0.000 0.927 413 K CB -0.237 32.411 32.500 0.246 0.000 0.712 413 K HN 0.435 nan 8.250 nan 0.000 0.441 414 N N 0.211 118.976 118.700 0.107 0.000 2.188 414 N HA -0.162 4.578 4.740 0.000 0.000 0.184 414 N C 1.763 177.313 175.510 0.066 0.000 1.018 414 N CA 1.225 54.322 53.050 0.079 0.000 0.858 414 N CB -0.597 37.945 38.487 0.092 0.000 0.989 414 N HN 0.420 nan 8.380 nan 0.000 0.426 415 H N 0.996 120.087 119.070 0.036 0.000 2.290 415 H HA 0.055 4.611 4.556 0.000 0.000 0.298 415 H C 2.064 177.425 175.328 0.055 0.000 1.087 415 H CA 1.905 57.980 56.048 0.044 0.000 1.291 415 H CB -0.147 29.569 29.762 -0.078 0.000 1.369 415 H HN 0.083 nan 8.280 nan 0.000 0.492 416 M N -1.072 118.499 119.600 -0.049 0.000 2.213 416 M HA -0.128 4.352 4.480 0.000 0.000 0.263 416 M C 2.252 178.587 176.300 0.059 0.000 1.062 416 M CA 1.579 56.871 55.300 -0.014 0.000 1.105 416 M CB -0.087 32.586 32.600 0.121 0.000 1.385 416 M HN 0.366 nan 8.290 nan 0.000 0.417 417 M N 0.349 119.966 119.600 0.028 0.000 2.236 417 M HA -0.118 4.362 4.480 0.000 0.000 0.266 417 M C 1.857 178.136 176.300 -0.034 0.000 1.070 417 M CA 1.884 57.215 55.300 0.051 0.000 1.137 417 M CB -0.091 32.514 32.600 0.010 0.000 1.378 417 M HN 0.144 nan 8.290 nan 0.000 0.426 418 Q N -1.185 118.511 119.800 -0.174 0.000 2.331 418 Q HA -0.006 4.334 4.340 0.000 0.000 0.203 418 Q C -0.149 175.465 176.000 -0.645 0.000 0.944 418 Q CA 0.678 56.248 55.803 -0.388 0.000 0.892 418 Q CB 0.274 28.736 28.738 -0.460 0.000 0.983 418 Q HN 0.514 nan 8.270 nan 0.000 0.482 419 H N 0.088 119.071 119.070 -0.146 0.000 2.380 419 H HA 0.193 4.749 4.556 0.000 0.000 0.231 419 H C -0.001 175.240 175.328 -0.145 0.000 1.415 419 H CA -0.094 55.873 56.048 -0.135 0.000 1.433 419 H CB 0.507 30.135 29.762 -0.224 0.000 1.544 419 H HN 0.251 nan 8.280 nan 0.000 0.503 420 Q N 0.615 120.395 119.800 -0.034 0.000 2.436 420 Q HA -0.094 4.246 4.340 0.000 0.000 0.209 420 Q C 1.583 177.519 176.000 -0.107 0.000 0.965 420 Q CA 0.770 56.505 55.803 -0.113 0.000 0.910 420 Q CB 0.471 29.093 28.738 -0.194 0.000 0.980 420 Q HN 0.492 nan 8.270 nan 0.000 0.491 421 E N 1.025 121.216 120.200 -0.014 0.000 2.481 421 E HA -0.068 4.282 4.350 0.000 0.000 0.195 421 E C -0.357 176.275 176.600 0.054 0.000 1.047 421 E CA 0.371 56.778 56.400 0.010 0.000 0.867 421 E CB -0.031 29.694 29.700 0.042 0.000 0.858 421 E HN 0.148 nan 8.360 nan 0.000 0.513 422 D N 2.154 122.605 120.400 0.085 0.000 2.249 422 D HA 0.130 4.770 4.640 0.000 0.000 0.246 422 D C -1.545 174.811 176.300 0.094 0.000 1.114 422 D CA -2.054 52.029 54.000 0.138 0.000 0.854 422 D CB 1.595 42.519 40.800 0.207 0.000 1.132 422 D HN -0.168 nan 8.370 nan 0.000 0.461 423 P HA 0.104 nan 4.420 nan 0.000 0.249 423 P C -0.217 177.126 177.300 0.073 0.000 1.229 423 P CA 0.151 63.290 63.100 0.065 0.000 0.788 423 P CB 0.423 32.152 31.700 0.049 0.000 1.072 424 L N 1.764 123.044 121.223 0.094 0.000 2.331 424 L HA 0.379 4.719 4.340 0.000 0.000 0.275 424 L C -1.409 175.501 176.870 0.066 0.000 1.022 424 L CA -2.274 52.596 54.840 0.049 0.000 0.812 424 L CB 2.386 44.443 42.059 -0.003 0.000 1.257 424 L HN -0.299 nan 8.230 nan 0.000 0.435 425 P HA 0.093 nan 4.420 nan 0.000 0.255 425 P C 0.201 177.403 177.300 -0.164 0.000 1.248 425 P CA 0.494 63.619 63.100 0.041 0.000 0.807 425 P CB 0.372 32.095 31.700 0.037 0.000 1.150 426 I N 2.432 122.799 120.570 -0.337 0.000 2.352 426 I HA 0.202 4.372 4.170 0.000 0.000 0.290 426 I C -2.135 173.489 176.117 -0.822 0.000 1.036 426 I CA -2.704 58.329 61.300 -0.444 0.000 1.336 426 I CB 0.601 38.430 38.000 -0.285 0.000 1.407 426 I HN -0.244 nan 8.210 nan 0.000 0.497 427 P HA -0.022 nan 4.420 nan 0.000 0.266 427 P C 0.350 177.417 177.300 -0.388 0.000 1.195 427 P CA 0.035 62.770 63.100 -0.608 0.000 0.768 427 P CB 0.317 31.899 31.700 -0.198 0.000 0.838 428 F N 0.993 120.825 119.950 -0.197 0.000 2.154 428 F HA -0.161 4.366 4.527 0.000 0.000 0.301 428 F C 1.756 177.516 175.800 -0.067 0.000 1.087 428 F CA 1.601 59.532 58.000 -0.116 0.000 1.274 428 F CB -0.994 37.954 39.000 -0.087 0.000 1.009 428 F HN 0.404 nan 8.300 nan 0.000 0.485 429 E N -0.222 120.058 120.200 0.133 0.000 2.444 429 E HA 0.001 4.351 4.350 0.000 0.000 0.191 429 E C -0.194 176.425 176.600 0.032 0.000 1.041 429 E CA -0.164 56.286 56.400 0.083 0.000 0.883 429 E CB -0.318 29.432 29.700 0.084 0.000 1.024 429 E HN 0.224 nan 8.360 nan 0.000 0.470 430 D N 2.899 123.294 120.400 -0.008 0.000 2.487 430 D HA 0.019 4.659 4.640 0.000 0.000 0.243 430 D C -2.267 174.045 176.300 0.019 0.000 1.154 430 D CA -1.388 52.594 54.000 -0.030 0.000 0.876 430 D CB 0.769 41.511 40.800 -0.096 0.000 1.161 430 D HN -0.117 nan 8.370 nan 0.000 0.478 431 P HA 0.070 nan 4.420 nan 0.000 0.271 431 P C -0.392 177.020 177.300 0.186 0.000 1.233 431 P CA -0.349 62.838 63.100 0.146 0.000 0.789 431 P CB 0.359 32.143 31.700 0.140 0.000 0.951 432 E N 1.695 122.030 120.200 0.224 0.000 2.374 432 E HA 0.225 4.575 4.350 0.000 0.000 0.260 432 E C -2.479 174.161 176.600 0.067 0.000 1.101 432 E CA -2.083 54.375 56.400 0.097 0.000 0.907 432 E CB -0.834 28.884 29.700 0.031 0.000 1.014 432 E HN 0.217 nan 8.360 nan 0.000 0.427 433 P HA 0.045 nan 4.420 nan 0.000 0.269 433 P C -0.473 176.837 177.300 0.015 0.000 1.209 433 P CA 0.091 63.260 63.100 0.115 0.000 0.776 433 P CB 0.375 32.086 31.700 0.018 0.000 0.876 434 Q N 0.973 120.890 119.800 0.196 0.000 3.557 434 Q HA 0.286 4.626 4.340 0.000 0.000 0.264 434 Q C -1.049 175.044 176.000 0.156 0.000 0.850 434 Q CA -0.300 55.485 55.803 -0.030 0.000 0.833 434 Q CB 1.096 29.558 28.738 -0.459 0.000 1.505 434 Q HN 0.186 nan 8.270 nan 0.000 0.402 435 V N 0.585 120.538 119.914 0.064 0.000 2.547 435 V HA 0.722 4.842 4.120 0.000 0.000 0.299 435 V C 0.213 176.311 176.094 0.006 0.000 1.040 435 V CA -0.358 61.969 62.300 0.046 0.000 0.913 435 V CB 1.992 33.777 31.823 -0.063 0.000 0.992 435 V HN 0.404 nan 8.190 nan 0.000 0.449 436 T N 1.907 116.501 114.554 0.067 0.000 2.900 436 T HA 0.472 4.822 4.350 0.000 0.000 0.303 436 T C -0.877 173.785 174.700 -0.064 0.000 1.142 436 T CA -0.321 61.772 62.100 -0.012 0.000 1.007 436 T CB 1.880 70.729 68.868 -0.033 0.000 1.156 436 T HN 0.809 nan 8.240 nan 0.000 0.490 437 T N 4.552 118.929 114.554 -0.296 0.000 2.772 437 T HA 0.608 4.958 4.350 0.000 0.000 0.288 437 T C -0.046 174.524 174.700 -0.217 0.000 0.994 437 T CA -0.598 61.166 62.100 -0.560 0.000 0.951 437 T CB -0.141 67.943 68.868 -1.306 0.000 0.933 437 T HN 0.505 nan 8.240 nan 0.000 0.447 438 L N 4.337 125.507 121.223 -0.088 0.000 2.464 438 L HA 0.395 4.735 4.340 0.000 0.000 0.264 438 L C 0.725 177.608 176.870 0.020 0.000 1.199 438 L CA -0.916 53.954 54.840 0.050 0.000 0.818 438 L CB 0.235 42.314 42.059 0.033 0.000 1.102 438 L HN 0.620 nan 8.230 nan 0.000 0.473 439 F N 2.604 122.486 119.950 -0.113 0.000 2.623 439 F HA -0.062 4.465 4.527 0.000 0.000 0.386 439 F C 0.313 175.845 175.800 -0.447 0.000 1.068 439 F CA 0.571 58.403 58.000 -0.279 0.000 1.265 439 F CB 0.137 39.026 39.000 -0.185 0.000 1.026 439 F HN 0.383 nan 8.300 nan 0.000 0.568 440 Q N 6.593 125.884 119.800 -0.850 0.000 2.495 440 Q HA 0.270 4.610 4.340 0.000 0.000 0.287 440 Q C -1.985 173.589 176.000 -0.711 0.000 1.078 440 Q CA -1.798 53.605 55.803 -0.667 0.000 0.793 440 Q CB 1.365 29.588 28.738 -0.858 0.000 1.459 440 Q HN 0.247 nan 8.270 nan 0.000 0.422 441 P HA -0.194 nan 4.420 nan 0.000 0.216 441 P C 1.141 178.232 177.300 -0.350 0.000 1.150 441 P CA 2.003 64.939 63.100 -0.274 0.000 0.843 441 P CB 0.217 31.841 31.700 -0.127 0.000 0.787 442 S N -1.648 113.848 115.700 -0.340 0.000 2.561 442 S HA -0.101 4.369 4.470 0.000 0.000 0.225 442 S C 0.483 174.914 174.600 -0.282 0.000 0.977 442 S CA 0.233 58.309 58.200 -0.208 0.000 0.926 442 S CB -1.267 61.910 63.200 -0.038 0.000 0.769 442 S HN 0.448 nan 8.310 nan 0.000 0.533 443 H N -1.602 117.027 119.070 -0.735 0.000 2.643 443 H HA 0.436 4.992 4.556 0.000 0.000 0.229 443 H C -3.281 170.858 175.328 -1.982 0.000 1.410 443 H CA -1.624 53.596 56.048 -1.379 0.000 1.458 443 H CB 0.312 29.557 29.762 -0.860 0.000 1.792 443 H HN 0.065 nan 8.280 nan 0.000 0.563 444 P HA 0.098 nan 4.420 nan 0.000 0.220 444 P C -1.251 175.394 177.300 -1.092 0.000 1.806 444 P CA 0.195 62.177 63.100 -1.863 0.000 0.976 444 P CB -1.045 30.154 31.700 -0.836 0.000 1.952 445 W N -0.256 120.653 121.300 -0.652 0.000 3.213 445 W HA 0.503 5.163 4.660 0.000 0.000 0.318 445 W C -0.975 175.613 176.519 0.115 0.000 1.248 445 W CA -1.245 56.087 57.345 -0.021 0.000 1.187 445 W CB 0.040 29.526 29.460 0.042 0.000 1.403 445 W HN -0.010 nan 8.180 nan 0.000 0.556 446 H N 1.210 120.553 119.070 0.454 0.000 2.505 446 H HA 0.699 5.255 4.556 0.000 0.000 0.351 446 H C -0.147 175.342 175.328 0.269 0.000 1.151 446 H CA 0.536 56.759 56.048 0.291 0.000 1.339 446 H CB 1.463 31.365 29.762 0.234 0.000 1.483 446 H HN 0.578 nan 8.280 nan 0.000 0.558 447 T N 2.015 116.202 114.554 -0.613 0.000 2.893 447 T HA 0.503 4.853 4.350 0.000 0.000 0.293 447 T C -0.805 173.588 174.700 -0.512 0.000 1.027 447 T CA -1.116 60.660 62.100 -0.539 0.000 0.988 447 T CB 1.601 70.044 68.868 -0.709 0.000 1.043 447 T HN 0.660 nan 8.240 nan 0.000 0.461 448 Q N 1.914 121.608 119.800 -0.178 0.000 2.304 448 Q HA 0.561 4.901 4.340 0.000 0.000 0.270 448 Q C -1.200 174.665 176.000 -0.224 0.000 1.035 448 Q CA -0.634 54.976 55.803 -0.323 0.000 0.781 448 Q CB 2.637 31.054 28.738 -0.535 0.000 1.261 448 Q HN 0.711 nan 8.270 nan 0.000 0.444 449 I N 3.876 124.283 120.570 -0.272 0.000 2.495 449 I HA 0.359 4.529 4.170 0.000 0.000 0.277 449 I C -0.409 175.587 176.117 -0.202 0.000 1.045 449 I CA -0.228 60.796 61.300 -0.461 0.000 1.135 449 I CB 0.406 38.020 38.000 -0.643 0.000 1.241 449 I HN 0.758 nan 8.210 nan 0.000 0.469 450 H N 3.806 122.682 119.070 -0.323 0.000 3.001 450 H HA 0.645 5.201 4.556 0.000 0.000 0.266 450 H C -1.230 174.018 175.328 -0.134 0.000 1.532 450 H CA -1.350 54.584 56.048 -0.191 0.000 1.187 450 H CB 1.368 31.042 29.762 -0.147 0.000 1.881 450 H HN 0.101 nan 8.280 nan 0.000 0.643 451 R N 1.329 121.656 120.500 -0.288 0.000 2.575 451 R HA 0.282 4.622 4.340 0.000 0.000 0.293 451 R C -1.462 174.584 176.300 -0.423 0.000 0.983 451 R CA -0.571 55.335 56.100 -0.323 0.000 0.887 451 R CB 1.855 32.094 30.300 -0.100 0.000 1.184 451 R HN 0.927 nan 8.270 nan 0.000 0.445 452 D N 0.539 120.708 120.400 -0.384 0.000 2.531 452 D HA 0.415 5.056 4.640 0.000 0.000 0.244 452 D C -0.614 175.668 176.300 -0.031 0.000 1.090 452 D CA -0.711 53.158 54.000 -0.218 0.000 0.989 452 D CB 1.291 41.949 40.800 -0.237 0.000 1.433 452 D HN 0.412 nan 8.370 nan 0.000 0.492 453 A N 0.141 122.966 122.820 0.009 0.000 2.608 453 A HA 0.322 4.642 4.320 0.000 0.000 0.239 453 A C -0.689 176.967 177.584 0.119 0.000 1.018 453 A CA 0.440 52.533 52.037 0.094 0.000 0.766 453 A CB -0.825 18.257 19.000 0.137 0.000 0.928 453 A HN 0.484 nan 8.150 nan 0.000 0.512 454 F N 1.500 121.391 119.950 -0.098 0.000 2.615 454 F HA 0.431 4.958 4.527 0.000 0.000 0.312 454 F C 0.032 175.653 175.800 -0.298 0.000 1.119 454 F CA -0.317 57.515 58.000 -0.280 0.000 0.979 454 F CB 1.951 40.648 39.000 -0.506 0.000 1.266 454 F HN 0.362 nan 8.300 nan 0.000 0.444 455 S N 5.034 120.183 115.700 -0.919 0.000 2.485 455 S HA 0.264 4.734 4.470 0.000 0.000 0.312 455 S C -1.018 173.273 174.600 -0.516 0.000 1.102 455 S CA -0.192 57.678 58.200 -0.549 0.000 1.066 455 S CB -0.619 62.313 63.200 -0.447 0.000 1.102 455 S HN 0.389 nan 8.310 nan 0.000 0.519 456 Y N 1.999 122.343 120.300 0.073 0.000 2.402 456 Y HA 0.333 4.883 4.550 0.000 0.000 0.333 456 Y C 1.460 177.412 175.900 0.087 0.000 1.076 456 Y CA -0.186 58.040 58.100 0.209 0.000 1.299 456 Y CB 0.194 38.791 38.460 0.230 0.000 1.197 456 Y HN 0.658 nan 8.280 nan 0.000 0.517 457 G N 1.436 110.370 108.800 0.224 0.000 2.690 457 G HA2 0.216 4.176 3.960 0.000 0.000 0.239 457 G HA3 0.216 4.176 3.960 0.000 0.000 0.239 457 G C 0.932 175.922 174.900 0.151 0.000 1.233 457 G CA -0.027 45.159 45.100 0.143 0.000 0.847 457 G HN 0.908 nan 8.290 nan 0.000 0.588 458 A N 0.652 123.529 122.820 0.095 0.000 1.902 458 A HA -0.036 4.284 4.320 0.000 0.000 0.217 458 A C 2.577 180.205 177.584 0.072 0.000 1.181 458 A CA 1.945 54.027 52.037 0.075 0.000 0.623 458 A CB -0.561 18.469 19.000 0.050 0.000 0.818 458 A HN 0.583 nan 8.150 nan 0.000 0.443 459 V N -0.008 119.951 119.914 0.075 0.000 2.295 459 V HA -0.317 3.803 4.120 0.000 0.000 0.246 459 V C 2.640 178.781 176.094 0.077 0.000 1.049 459 V CA 2.282 64.621 62.300 0.066 0.000 1.024 459 V CB -0.874 30.986 31.823 0.062 0.000 0.648 459 V HN 0.662 nan 8.190 nan 0.000 0.447 460 Q N -0.531 119.345 119.800 0.127 0.000 2.170 460 Q HA -0.245 4.095 4.340 0.000 0.000 0.203 460 Q C 2.168 178.199 176.000 0.051 0.000 0.976 460 Q CA 1.357 57.247 55.803 0.146 0.000 0.858 460 Q CB -0.220 28.724 28.738 0.344 0.000 0.907 460 Q HN 0.682 nan 8.270 nan 0.000 0.433 461 Q N -0.134 119.706 119.800 0.068 0.000 2.561 461 Q HA -0.078 4.262 4.340 0.000 0.000 0.217 461 Q C 1.827 177.817 176.000 -0.017 0.000 0.980 461 Q CA 0.520 56.322 55.803 -0.002 0.000 0.927 461 Q CB -0.011 28.755 28.738 0.047 0.000 0.980 461 Q HN 0.156 nan 8.270 nan 0.000 0.525 462 S N -0.092 115.608 115.700 0.001 0.000 2.453 462 S HA -0.008 4.462 4.470 0.000 0.000 0.231 462 S C 0.766 175.355 174.600 -0.018 0.000 1.005 462 S CA 0.177 58.376 58.200 -0.001 0.000 0.949 462 S CB 0.289 63.496 63.200 0.013 0.000 0.774 462 S HN 0.150 nan 8.310 nan 0.000 0.510 463 I N 2.861 123.407 120.570 -0.040 0.000 2.342 463 I HA 0.258 4.428 4.170 0.000 0.000 0.291 463 I C 0.316 176.383 176.117 -0.083 0.000 1.010 463 I CA -0.985 60.284 61.300 -0.051 0.000 1.308 463 I CB 0.851 38.820 38.000 -0.051 0.000 1.400 463 I HN 0.166 nan 8.210 nan 0.000 0.488 464 D N 4.301 124.672 120.400 -0.048 0.000 2.487 464 D HA -0.067 4.573 4.640 0.000 0.000 0.243 464 D C 1.225 177.480 176.300 -0.076 0.000 1.154 464 D CA 0.209 54.184 54.000 -0.041 0.000 0.876 464 D CB 1.165 41.967 40.800 0.003 0.000 1.161 464 D HN 0.658 nan 8.370 nan 0.000 0.478 465 S N 4.391 120.034 115.700 -0.096 0.000 2.419 465 S HA -0.201 4.269 4.470 0.000 0.000 0.235 465 S C 1.685 176.253 174.600 -0.054 0.000 1.019 465 S CA 0.636 58.764 58.200 -0.120 0.000 0.982 465 S CB -0.080 63.060 63.200 -0.100 0.000 0.789 465 S HN 0.567 nan 8.310 nan 0.000 0.490 466 R N 0.767 121.252 120.500 -0.024 0.000 2.193 466 R HA 0.135 4.475 4.340 0.000 0.000 0.229 466 R C 1.823 178.107 176.300 -0.027 0.000 1.110 466 R CA 1.192 57.278 56.100 -0.024 0.000 0.988 466 R CB -0.551 29.729 30.300 -0.033 0.000 0.871 466 R HN 0.458 nan 8.270 nan 0.000 0.458 467 L N 0.282 121.489 121.223 -0.026 0.000 2.446 467 L HA 0.126 4.466 4.340 0.000 0.000 0.219 467 L C 0.667 177.538 176.870 0.001 0.000 1.116 467 L CA 0.146 54.978 54.840 -0.014 0.000 0.844 467 L CB 0.122 42.172 42.059 -0.015 0.000 0.970 467 L HN 0.056 nan 8.230 nan 0.000 0.457 468 I N 0.186 120.749 120.570 -0.011 0.000 2.396 468 I HA 0.240 4.410 4.170 0.000 0.000 0.292 468 I C -0.588 175.544 176.117 0.026 0.000 0.999 468 I CA -0.385 60.922 61.300 0.011 0.000 1.310 468 I CB 1.660 39.650 38.000 -0.017 0.000 1.404 468 I HN -0.298 nan 8.210 nan 0.000 0.496 469 V N 4.708 124.657 119.914 0.059 0.000 2.709 469 V HA 0.329 4.449 4.120 0.000 0.000 0.308 469 V C -0.826 175.266 176.094 -0.004 0.000 1.062 469 V CA -0.873 61.428 62.300 0.003 0.000 0.901 469 V CB 2.124 33.956 31.823 0.015 0.000 1.003 469 V HN 0.579 nan 8.190 nan 0.000 0.425 470 D N 2.410 122.729 120.400 -0.135 0.000 2.210 470 D HA 0.468 5.108 4.640 0.000 0.000 0.249 470 D C -1.011 175.167 176.300 -0.203 0.000 1.062 470 D CA 0.099 54.045 54.000 -0.090 0.000 0.891 470 D CB 1.399 42.165 40.800 -0.056 0.000 1.186 470 D HN 0.462 nan 8.370 nan 0.000 0.432 471 W N 1.351 122.595 121.300 -0.095 0.000 2.619 471 W HA 0.436 5.096 4.660 0.000 0.000 0.327 471 W C 0.159 176.681 176.519 0.005 0.000 1.027 471 W CA -0.836 56.492 57.345 -0.029 0.000 1.233 471 W CB 1.293 30.614 29.460 -0.232 0.000 1.370 471 W HN -0.069 nan 8.180 nan 0.000 0.453 472 R N 3.079 123.774 120.500 0.325 0.000 2.483 472 R HA 0.502 4.843 4.340 0.000 0.000 0.303 472 R C -1.518 174.926 176.300 0.240 0.000 0.987 472 R CA -0.842 55.340 56.100 0.136 0.000 0.881 472 R CB 1.583 31.919 30.300 0.061 0.000 1.177 472 R HN 0.162 nan 8.270 nan 0.000 0.451 473 F N 2.971 122.755 119.950 -0.277 0.000 2.469 473 F HA 0.506 5.033 4.527 0.000 0.000 0.332 473 F C -0.298 175.374 175.800 -0.212 0.000 1.103 473 F CA -1.531 56.400 58.000 -0.115 0.000 0.979 473 F CB 1.093 39.992 39.000 -0.169 0.000 1.137 473 F HN 0.301 nan 8.300 nan 0.000 0.463 474 F N 1.224 121.367 119.950 0.321 0.000 2.477 474 F HA 0.649 5.176 4.527 0.000 0.000 0.335 474 F C 0.642 176.655 175.800 0.355 0.000 1.130 474 F CA -1.016 57.173 58.000 0.314 0.000 0.948 474 F CB 1.593 40.830 39.000 0.393 0.000 1.154 474 F HN 0.527 nan 8.300 nan 0.000 0.439 475 G N 2.112 111.168 108.800 0.426 0.000 2.477 475 G HA2 0.619 4.579 3.960 0.000 0.000 0.304 475 G HA3 0.619 4.579 3.960 0.000 0.000 0.304 475 G C -0.853 174.243 174.900 0.327 0.000 1.175 475 G CA -1.045 44.289 45.100 0.391 0.000 0.907 475 G HN 0.708 nan 8.290 nan 0.000 0.509 476 R N -0.738 119.950 120.500 0.313 0.000 2.404 476 R HA 0.647 4.987 4.340 0.000 0.000 0.291 476 R C -0.955 175.439 176.300 0.157 0.000 1.025 476 R CA -0.532 55.670 56.100 0.170 0.000 0.991 476 R CB 1.216 31.626 30.300 0.183 0.000 1.053 476 R HN 0.260 nan 8.270 nan 0.000 0.479 477 T N 1.938 116.549 114.554 0.095 0.000 2.792 477 T HA 0.121 4.471 4.350 0.000 0.000 0.280 477 T C -0.782 173.992 174.700 0.122 0.000 0.990 477 T CA -0.643 61.563 62.100 0.178 0.000 0.960 477 T CB 1.360 70.405 68.868 0.295 0.000 0.939 477 T HN 0.666 nan 8.240 nan 0.000 0.439 478 E N 4.713 124.990 120.200 0.129 0.000 2.415 478 E HA 0.104 4.454 4.350 0.000 0.000 0.263 478 E C -2.115 174.560 176.600 0.125 0.000 0.995 478 E CA -1.662 54.804 56.400 0.111 0.000 0.915 478 E CB 0.537 30.294 29.700 0.097 0.000 0.951 478 E HN 0.200 nan 8.360 nan 0.000 0.449 479 P HA 0.088 nan 4.420 nan 0.000 0.271 479 P C -1.251 176.209 177.300 0.265 0.000 1.233 479 P CA 0.109 63.348 63.100 0.232 0.000 0.764 479 P CB 0.616 32.467 31.700 0.252 0.000 0.825 480 K N 2.803 123.300 120.400 0.162 0.000 2.397 480 K HA 0.176 4.496 4.320 0.000 0.000 0.253 480 K C 0.990 177.422 176.600 -0.281 0.000 0.932 480 K CA -0.722 55.576 56.287 0.018 0.000 0.795 480 K CB 2.302 34.773 32.500 -0.049 0.000 1.159 480 K HN 0.452 nan 8.250 nan 0.000 0.424 481 E N 2.319 122.180 120.200 -0.565 0.000 2.118 481 E HA -0.230 4.120 4.350 0.000 0.000 0.195 481 E C 1.028 177.358 176.600 -0.450 0.000 0.992 481 E CA 1.581 57.382 56.400 -0.997 0.000 0.804 481 E CB 0.459 29.804 29.700 -0.591 0.000 0.741 481 E HN 0.568 nan 8.360 nan 0.000 0.458 482 E N 0.420 120.469 120.200 -0.252 0.000 2.265 482 E HA -0.148 4.202 4.350 0.000 0.000 0.196 482 E C 0.060 176.595 176.600 -0.108 0.000 0.996 482 E CA 0.458 56.768 56.400 -0.150 0.000 0.832 482 E CB -0.372 29.257 29.700 -0.119 0.000 0.756 482 E HN 0.086 nan 8.360 nan 0.000 0.491 483 N N 2.123 120.747 118.700 -0.127 0.000 2.401 483 N HA 0.151 4.891 4.740 0.000 0.000 0.255 483 N C -0.747 174.820 175.510 0.094 0.000 1.110 483 N CA 0.223 53.255 53.050 -0.030 0.000 0.949 483 N CB 0.947 39.385 38.487 -0.082 0.000 1.110 483 N HN 0.141 nan 8.380 nan 0.000 0.490 484 K N 1.185 121.696 120.400 0.185 0.000 2.375 484 K HA 0.475 4.795 4.320 0.000 0.000 0.249 484 K C -1.043 175.722 176.600 0.274 0.000 0.942 484 K CA -0.959 55.459 56.287 0.218 0.000 0.806 484 K CB 2.384 35.011 32.500 0.211 0.000 1.227 484 K HN 0.157 nan 8.250 nan 0.000 0.430 485 L N 3.962 125.294 121.223 0.182 0.000 2.305 485 L HA 0.557 4.897 4.340 0.000 0.000 0.284 485 L C -1.297 175.526 176.870 -0.078 0.000 1.013 485 L CA -0.100 54.687 54.840 -0.089 0.000 0.819 485 L CB 0.544 42.547 42.059 -0.093 0.000 1.227 485 L HN 0.716 nan 8.230 nan 0.000 0.417 486 W N 3.771 124.794 121.300 -0.462 0.000 3.017 486 W HA 0.658 5.318 4.660 0.000 0.000 0.341 486 W C -2.217 173.887 176.519 -0.691 0.000 1.180 486 W CA -1.207 55.928 57.345 -0.350 0.000 1.097 486 W CB 0.989 30.382 29.460 -0.111 0.000 1.468 486 W HN 0.345 nan 8.180 nan 0.000 0.584 487 F N 1.467 121.599 119.950 0.302 0.000 2.547 487 F HA 0.334 4.861 4.527 0.000 0.000 0.316 487 F C 0.719 176.667 175.800 0.247 0.000 1.121 487 F CA -0.918 57.132 58.000 0.082 0.000 0.911 487 F CB 2.179 41.221 39.000 0.069 0.000 1.179 487 F HN 0.270 nan 8.300 nan 0.000 0.443 488 S N 1.060 116.895 115.700 0.226 0.000 2.562 488 S HA 0.057 4.527 4.470 0.000 0.000 0.281 488 S C 0.748 175.493 174.600 0.242 0.000 1.333 488 S CA -0.490 57.874 58.200 0.273 0.000 1.052 488 S CB 0.374 63.641 63.200 0.112 0.000 0.884 488 S HN 0.694 nan 8.310 nan 0.000 0.506 489 D N 2.843 123.377 120.400 0.223 0.000 2.340 489 D HA 0.104 4.744 4.640 0.000 0.000 0.220 489 D C 0.966 177.329 176.300 0.105 0.000 1.039 489 D CA 0.387 54.472 54.000 0.143 0.000 0.866 489 D CB 0.213 41.081 40.800 0.113 0.000 0.913 489 D HN 0.408 nan 8.370 nan 0.000 0.523 490 K N -0.152 120.313 120.400 0.108 0.000 2.485 490 K HA 0.129 4.449 4.320 0.000 0.000 0.200 490 K C 0.096 176.738 176.600 0.071 0.000 1.352 490 K CA -0.067 56.268 56.287 0.080 0.000 0.953 490 K CB 0.889 33.437 32.500 0.080 0.000 1.387 490 K HN -0.012 nan 8.250 nan 0.000 0.512 491 I N 3.481 124.095 120.570 0.074 0.000 2.519 491 I HA 0.133 4.303 4.170 0.000 0.000 0.287 491 I C 0.531 176.683 176.117 0.059 0.000 1.047 491 I CA 0.034 61.366 61.300 0.054 0.000 1.381 491 I CB 1.002 39.023 38.000 0.033 0.000 1.417 491 I HN 0.181 nan 8.210 nan 0.000 0.540 492 T N 1.166 115.752 114.554 0.053 0.000 2.916 492 T HA 0.587 4.937 4.350 0.000 0.000 0.292 492 T C -0.397 174.340 174.700 0.062 0.000 1.055 492 T CA -0.932 61.207 62.100 0.065 0.000 1.009 492 T CB 2.431 71.335 68.868 0.060 0.000 1.118 492 T HN 0.550 nan 8.240 nan 0.000 0.497 493 D N 0.796 121.249 120.400 0.089 0.000 2.469 493 D HA 0.476 5.116 4.640 0.000 0.000 0.278 493 D C 1.599 177.950 176.300 0.085 0.000 1.231 493 D CA -0.447 53.613 54.000 0.100 0.000 1.075 493 D CB 0.003 40.897 40.800 0.156 0.000 1.121 493 D HN 0.649 nan 8.370 nan 0.000 0.571 494 A N -1.451 121.420 122.820 0.085 0.000 2.121 494 A HA -0.090 4.230 4.320 0.000 0.000 0.218 494 A C 1.065 178.516 177.584 -0.221 0.000 1.154 494 A CA 0.811 52.808 52.037 -0.066 0.000 0.679 494 A CB -0.913 18.020 19.000 -0.111 0.000 0.795 494 A HN 0.534 nan 8.150 nan 0.000 0.458 495 Y N -1.078 119.238 120.300 0.028 0.000 2.658 495 Y HA 0.242 4.792 4.550 0.000 0.000 0.276 495 Y C 0.701 176.626 175.900 0.042 0.000 1.167 495 Y CA -0.337 57.780 58.100 0.028 0.000 1.230 495 Y CB -0.457 38.004 38.460 0.001 0.000 1.144 495 Y HN 0.439 nan 8.280 nan 0.000 0.529 496 N N -0.331 118.445 118.700 0.127 0.000 2.714 496 N HA -0.181 4.559 4.740 0.000 0.000 0.250 496 N C -0.551 175.017 175.510 0.096 0.000 1.117 496 N CA 0.600 53.705 53.050 0.092 0.000 0.719 496 N CB -0.449 38.083 38.487 0.074 0.000 1.081 496 N HN 0.156 nan 8.380 nan 0.000 0.557 497 M N -0.248 119.423 119.600 0.119 0.000 2.528 497 M HA 0.411 4.891 4.480 0.000 0.000 0.318 497 M C -2.091 174.272 176.300 0.104 0.000 1.195 497 M CA -2.053 53.303 55.300 0.092 0.000 1.000 497 M CB 0.445 33.098 32.600 0.088 0.000 1.615 497 M HN -0.264 nan 8.290 nan 0.000 0.469 498 P HA 0.002 nan 4.420 nan 0.000 0.263 498 P C -0.629 176.818 177.300 0.245 0.000 1.195 498 P CA 0.043 63.233 63.100 0.150 0.000 0.762 498 P CB 0.222 32.007 31.700 0.142 0.000 0.799 499 Q N 7.044 126.934 119.800 0.151 0.000 2.271 499 Q HA 0.140 4.480 4.340 0.000 0.000 0.273 499 Q C -2.220 173.742 176.000 -0.064 0.000 1.051 499 Q CA -1.852 53.987 55.803 0.060 0.000 0.901 499 Q CB -0.233 28.495 28.738 -0.017 0.000 1.174 499 Q HN 0.303 nan 8.270 nan 0.000 0.385 500 P HA 0.099 nan 4.420 nan 0.000 0.271 500 P C -1.046 175.752 177.300 -0.836 0.000 1.216 500 P CA -0.126 62.541 63.100 -0.722 0.000 0.776 500 P CB 1.006 32.364 31.700 -0.570 0.000 0.881 501 T N 2.802 116.624 114.554 -1.221 0.000 2.971 501 T HA 0.493 4.843 4.350 0.000 0.000 0.304 501 T C -0.604 173.392 174.700 -1.172 0.000 1.038 501 T CA -0.120 61.261 62.100 -1.198 0.000 1.007 501 T CB 0.510 68.352 68.868 -1.710 0.000 1.055 501 T HN 0.063 nan 8.240 nan 0.000 0.451 502 F N 1.926 121.609 119.950 -0.445 0.000 2.397 502 F HA 0.545 5.072 4.527 0.000 0.000 0.331 502 F C 0.645 176.415 175.800 -0.050 0.000 1.090 502 F CA -0.941 56.929 58.000 -0.216 0.000 1.065 502 F CB 1.119 40.038 39.000 -0.135 0.000 1.184 502 F HN 0.404 nan 8.300 nan 0.000 0.499 503 D N 3.195 123.786 120.400 0.319 0.000 2.375 503 D HA 0.220 4.860 4.640 0.000 0.000 0.259 503 D C -1.791 174.647 176.300 0.230 0.000 1.235 503 D CA -0.107 54.056 54.000 0.271 0.000 0.924 503 D CB 0.272 41.256 40.800 0.306 0.000 1.143 503 D HN 0.289 nan 8.370 nan 0.000 0.529 504 F N 3.195 123.149 119.950 0.007 0.000 2.569 504 F HA 0.592 5.120 4.527 0.000 0.000 0.312 504 F C -1.073 174.628 175.800 -0.164 0.000 1.109 504 F CA -0.613 57.320 58.000 -0.112 0.000 0.919 504 F CB 1.366 40.229 39.000 -0.228 0.000 1.211 504 F HN 0.007 nan 8.300 nan 0.000 0.446 505 R N 4.525 124.522 120.500 -0.838 0.000 2.673 505 R HA 0.344 4.684 4.340 0.000 0.000 0.281 505 R C -1.599 174.121 176.300 -0.967 0.000 0.991 505 R CA -0.970 54.763 56.100 -0.611 0.000 0.896 505 R CB 1.678 31.823 30.300 -0.259 0.000 1.201 505 R HN 0.579 nan 8.270 nan 0.000 0.457 506 F N 3.055 122.807 119.950 -0.330 0.000 2.578 506 F HA 0.154 4.681 4.527 0.000 0.000 0.381 506 F C -1.283 174.402 175.800 -0.192 0.000 1.069 506 F CA -0.958 56.926 58.000 -0.195 0.000 1.231 506 F CB -0.150 38.850 39.000 -0.001 0.000 1.086 506 F HN 0.146 nan 8.300 nan 0.000 0.564 507 P HA 0.108 nan 4.420 nan 0.000 0.267 507 P C -0.568 176.748 177.300 0.027 0.000 1.200 507 P CA -0.183 62.902 63.100 -0.025 0.000 0.772 507 P CB 0.546 32.241 31.700 -0.007 0.000 0.855 508 A N 2.444 125.265 122.820 0.002 0.000 2.429 508 A HA 0.536 4.856 4.320 0.000 0.000 0.242 508 A C 1.106 178.705 177.584 0.025 0.000 1.088 508 A CA 0.843 52.886 52.037 0.011 0.000 0.784 508 A CB -1.024 17.975 19.000 -0.002 0.000 1.038 508 A HN 0.835 nan 8.150 nan 0.000 0.501 509 G N 0.008 108.824 108.800 0.028 0.000 2.503 509 G HA2 -0.241 3.719 3.960 0.000 0.000 0.235 509 G HA3 -0.241 3.719 3.960 0.000 0.000 0.235 509 G C 1.015 175.946 174.900 0.051 0.000 1.179 509 G CA 0.690 45.812 45.100 0.036 0.000 0.944 509 G HN 1.005 nan 8.290 nan 0.000 0.580 510 R N -0.174 120.362 120.500 0.061 0.000 2.103 510 R HA -0.108 4.232 4.340 0.000 0.000 0.242 510 R C 2.802 179.159 176.300 0.096 0.000 1.142 510 R CA 2.801 58.948 56.100 0.078 0.000 0.960 510 R CB -0.915 29.433 30.300 0.081 0.000 0.858 510 R HN 0.632 nan 8.270 nan 0.000 0.439 511 T N -0.043 114.570 114.554 0.099 0.000 2.684 511 T HA -0.102 4.248 4.350 0.000 0.000 0.267 511 T C 1.925 176.679 174.700 0.090 0.000 1.036 511 T CA 1.814 63.988 62.100 0.123 0.000 1.148 511 T CB -0.156 68.805 68.868 0.155 0.000 0.863 511 T HN 0.276 nan 8.240 nan 0.000 0.436 512 S N 0.522 116.259 115.700 0.061 0.000 2.371 512 S HA -0.003 4.467 4.470 0.000 0.000 0.224 512 S C 2.011 176.623 174.600 0.020 0.000 1.029 512 S CA 0.834 59.041 58.200 0.012 0.000 0.978 512 S CB -0.160 63.041 63.200 0.002 0.000 0.833 512 S HN 0.476 nan 8.310 nan 0.000 0.466 513 K N 1.404 121.832 120.400 0.048 0.000 2.026 513 K HA -0.138 4.182 4.320 0.000 0.000 0.208 513 K C 1.920 178.577 176.600 0.096 0.000 1.048 513 K CA 1.467 57.791 56.287 0.061 0.000 0.929 513 K CB -0.129 32.411 32.500 0.067 0.000 0.713 513 K HN 0.350 nan 8.250 nan 0.000 0.439 514 E N -0.144 120.138 120.200 0.138 0.000 2.110 514 E HA -0.183 4.167 4.350 0.000 0.000 0.193 514 E C 1.950 178.645 176.600 0.158 0.000 0.988 514 E CA 0.948 57.490 56.400 0.236 0.000 0.804 514 E CB -0.091 29.776 29.700 0.279 0.000 0.745 514 E HN 0.450 nan 8.360 nan 0.000 0.458 515 A N 1.313 124.194 122.820 0.102 0.000 1.902 515 A HA -0.240 4.080 4.320 0.000 0.000 0.217 515 A C 2.065 179.722 177.584 0.121 0.000 1.181 515 A CA 1.760 53.853 52.037 0.093 0.000 0.623 515 A CB -0.341 18.668 19.000 0.016 0.000 0.818 515 A HN 0.129 nan 8.150 nan 0.000 0.443 516 E N 0.419 120.673 120.200 0.090 0.000 2.107 516 E HA -0.131 4.219 4.350 0.000 0.000 0.191 516 E C 1.285 177.871 176.600 -0.024 0.000 0.982 516 E CA 1.363 57.812 56.400 0.081 0.000 0.809 516 E CB -0.251 29.477 29.700 0.046 0.000 0.756 516 E HN 0.514 nan 8.360 nan 0.000 0.459 517 D N -0.032 120.354 120.400 -0.023 0.000 2.149 517 D HA -0.189 4.452 4.640 0.000 0.000 0.198 517 D C 1.893 177.956 176.300 -0.396 0.000 0.990 517 D CA 1.163 55.135 54.000 -0.046 0.000 0.839 517 D CB -0.310 40.598 40.800 0.180 0.000 0.948 517 D HN 0.316 nan 8.370 nan 0.000 0.460 518 M N -0.272 118.872 119.600 -0.760 0.000 2.117 518 M HA -0.201 4.279 4.480 0.000 0.000 0.262 518 M C 2.059 177.949 176.300 -0.684 0.000 1.065 518 M CA 1.201 55.712 55.300 -1.315 0.000 1.114 518 M CB 0.002 32.056 32.600 -0.909 0.000 1.361 518 M HN -0.041 nan 8.290 nan 0.000 0.408 519 M N 0.401 119.724 119.600 -0.463 0.000 2.073 519 M HA -0.184 4.296 4.480 0.000 0.000 0.258 519 M C 1.840 177.932 176.300 -0.346 0.000 1.070 519 M CA 2.525 57.556 55.300 -0.448 0.000 1.103 519 M CB -1.068 31.339 32.600 -0.322 0.000 1.321 519 M HN 0.281 nan 8.290 nan 0.000 0.405 520 T N 0.008 114.426 114.554 -0.226 0.000 2.720 520 T HA -0.184 4.166 4.350 0.000 0.000 0.268 520 T C 1.513 176.141 174.700 -0.119 0.000 1.037 520 T CA 1.851 63.870 62.100 -0.134 0.000 1.144 520 T CB -0.666 68.167 68.868 -0.059 0.000 0.864 520 T HN 0.543 nan 8.240 nan 0.000 0.444 521 D N 0.490 120.818 120.400 -0.120 0.000 2.123 521 D HA -0.095 4.545 4.640 0.000 0.000 0.196 521 D C 2.050 178.350 176.300 0.000 0.000 0.992 521 D CA 0.965 55.003 54.000 0.063 0.000 0.833 521 D CB -0.219 40.725 40.800 0.240 0.000 0.954 521 D HN 0.312 nan 8.370 nan 0.000 0.455 522 M N -0.551 118.818 119.600 -0.385 0.000 2.132 522 M HA -0.159 4.321 4.480 0.000 0.000 0.263 522 M C 1.969 177.976 176.300 -0.489 0.000 1.065 522 M CA 1.266 56.066 55.300 -0.833 0.000 1.122 522 M CB -0.143 31.698 32.600 -1.266 0.000 1.365 522 M HN 0.194 nan 8.290 nan 0.000 0.411 523 C N -0.230 118.880 119.300 -0.317 0.000 2.413 523 C HA -0.129 4.331 4.460 0.000 0.000 0.276 523 C C 2.669 177.566 174.990 -0.154 0.000 1.248 523 C CA 0.957 59.898 59.018 -0.130 0.000 1.742 523 C CB -1.087 26.627 27.740 -0.045 0.000 2.017 523 C HN 0.503 nan 8.230 nan 0.000 0.481 524 V N 0.377 120.229 119.914 -0.104 0.000 2.323 524 V HA -0.261 3.859 4.120 0.000 0.000 0.244 524 V C 2.381 178.448 176.094 -0.045 0.000 1.041 524 V CA 2.188 64.456 62.300 -0.054 0.000 1.025 524 V CB -0.639 31.203 31.823 0.030 0.000 0.656 524 V HN 0.584 nan 8.190 nan 0.000 0.451 525 M N 0.714 120.325 119.600 0.020 0.000 2.156 525 M HA -0.147 4.333 4.480 0.000 0.000 0.264 525 M C 2.476 178.653 176.300 -0.205 0.000 1.067 525 M CA 2.205 57.590 55.300 0.142 0.000 1.131 525 M CB -0.174 32.679 32.600 0.421 0.000 1.368 525 M HN 0.545 nan 8.290 nan 0.000 0.416 526 S N 0.563 115.821 115.700 -0.737 0.000 2.399 526 S HA -0.067 4.404 4.470 0.000 0.000 0.231 526 S C 1.957 176.157 174.600 -0.666 0.000 1.022 526 S CA 0.998 58.338 58.200 -1.432 0.000 0.983 526 S CB -0.845 61.286 63.200 -1.782 0.000 0.803 526 S HN 0.567 nan 8.310 nan 0.000 0.480 527 A N 2.052 124.590 122.820 -0.469 0.000 2.070 527 A HA -0.007 4.313 4.320 0.000 0.000 0.220 527 A C 2.168 179.620 177.584 -0.221 0.000 1.159 527 A CA 1.293 53.108 52.037 -0.370 0.000 0.656 527 A CB -0.526 18.286 19.000 -0.313 0.000 0.800 527 A HN 0.639 nan 8.150 nan 0.000 0.453 528 K N -0.655 119.657 120.400 -0.146 0.000 2.283 528 K HA 0.004 4.324 4.320 0.000 0.000 0.202 528 K C 1.178 177.765 176.600 -0.021 0.000 1.048 528 K CA 0.841 57.092 56.287 -0.060 0.000 0.948 528 K CB -0.031 32.472 32.500 0.005 0.000 0.742 528 K HN 0.407 nan 8.250 nan 0.000 0.458 529 I N -0.679 119.889 120.570 -0.003 0.000 3.039 529 I HA 0.145 4.315 4.170 0.000 0.000 0.270 529 I C 1.103 177.228 176.117 0.012 0.000 1.150 529 I CA 0.586 61.932 61.300 0.077 0.000 1.448 529 I CB -0.023 38.167 38.000 0.316 0.000 1.197 529 I HN 0.093 nan 8.210 nan 0.000 0.450 530 G N -0.598 108.155 108.800 -0.078 0.000 2.368 530 G HA2 0.458 4.418 3.960 0.000 0.000 0.293 530 G HA3 0.458 4.418 3.960 0.000 0.000 0.293 530 G C -0.574 174.182 174.900 -0.240 0.000 1.467 530 G CA -0.185 44.850 45.100 -0.107 0.000 0.804 530 G HN 0.289 nan 8.290 nan 0.000 0.535 531 G N -1.066 107.589 108.800 -0.242 0.000 2.599 531 G HA2 0.537 4.497 3.960 0.000 0.000 0.264 531 G HA3 0.537 4.497 3.960 0.000 0.000 0.264 531 G C -0.212 174.515 174.900 -0.288 0.000 1.200 531 G CA -0.488 44.387 45.100 -0.375 0.000 0.896 531 G HN 0.461 nan 8.290 nan 0.000 0.536 532 F N -0.832 119.024 119.950 -0.156 0.000 2.506 532 F HA 0.231 4.758 4.527 0.000 0.000 0.351 532 F C 0.680 176.421 175.800 -0.099 0.000 1.136 532 F CA -0.750 57.151 58.000 -0.165 0.000 1.298 532 F CB 0.710 39.604 39.000 -0.177 0.000 1.145 532 F HN 0.172 nan 8.300 nan 0.000 0.593 533 L N 5.621 126.912 121.223 0.113 0.000 2.313 533 L HA 0.417 4.757 4.340 0.000 0.000 0.282 533 L C -2.424 174.493 176.870 0.079 0.000 1.092 533 L CA -2.024 52.860 54.840 0.073 0.000 0.831 533 L CB 0.099 42.196 42.059 0.064 0.000 1.159 533 L HN 0.277 nan 8.230 nan 0.000 0.442 534 P HA 0.164 nan 4.420 nan 0.000 0.261 534 P C 0.622 177.974 177.300 0.087 0.000 1.173 534 P CA 1.192 64.332 63.100 0.067 0.000 0.760 534 P CB 0.586 32.320 31.700 0.057 0.000 0.783 535 G N 2.094 110.940 108.800 0.077 0.000 2.217 535 G HA2 -0.225 3.735 3.960 0.000 0.000 0.246 535 G HA3 -0.225 3.735 3.960 0.000 0.000 0.246 535 G C 0.419 175.406 174.900 0.145 0.000 0.990 535 G CA 0.194 45.359 45.100 0.109 0.000 0.627 535 G HN 0.523 nan 8.290 nan 0.000 0.522 536 S N 0.720 116.480 115.700 0.100 0.000 2.526 536 S HA 0.510 4.980 4.470 0.000 0.000 0.220 536 S C 0.352 174.883 174.600 -0.115 0.000 1.159 536 S CA -0.564 57.688 58.200 0.087 0.000 1.196 536 S CB 0.354 63.590 63.200 0.060 0.000 1.225 536 S HN 0.469 nan 8.310 nan 0.000 0.432 537 L N 2.629 123.773 121.223 -0.132 0.000 2.453 537 L HA 0.376 4.716 4.340 0.000 0.000 0.261 537 L C -1.999 174.594 176.870 -0.461 0.000 1.179 537 L CA -2.231 52.398 54.840 -0.352 0.000 0.813 537 L CB 0.039 41.954 42.059 -0.240 0.000 1.110 537 L HN 0.084 nan 8.230 nan 0.000 0.466 538 P HA 0.006 nan 4.420 nan 0.000 0.264 538 P C -1.446 175.630 177.300 -0.375 0.000 1.193 538 P CA 0.097 62.809 63.100 -0.647 0.000 0.763 538 P CB 0.582 31.794 31.700 -0.814 0.000 0.810 539 Q N 1.704 121.326 119.800 -0.296 0.000 2.522 539 Q HA 0.469 4.809 4.340 0.000 0.000 0.285 539 Q C -1.520 174.342 176.000 -0.231 0.000 0.982 539 Q CA -0.888 54.819 55.803 -0.159 0.000 0.805 539 Q CB 0.669 29.393 28.738 -0.024 0.000 1.457 539 Q HN 0.102 nan 8.270 nan 0.000 0.394 540 F N 1.495 121.396 119.950 -0.082 0.000 2.412 540 F HA 0.330 4.857 4.527 0.000 0.000 0.348 540 F C 0.653 176.426 175.800 -0.046 0.000 1.102 540 F CA -0.336 57.616 58.000 -0.080 0.000 1.196 540 F CB 1.026 39.968 39.000 -0.098 0.000 1.144 540 F HN 0.392 nan 8.300 nan 0.000 0.541 541 M N 1.677 121.335 119.600 0.097 0.000 2.247 541 M HA 0.125 4.605 4.480 0.000 0.000 0.326 541 M C 0.267 176.615 176.300 0.080 0.000 1.134 541 M CA -0.434 54.891 55.300 0.042 0.000 1.136 541 M CB 0.663 33.245 32.600 -0.031 0.000 1.454 541 M HN 0.608 nan 8.290 nan 0.000 0.467 542 E N 2.753 122.973 120.200 0.032 0.000 2.502 542 E HA 0.011 4.361 4.350 0.000 0.000 0.261 542 E C -2.202 174.423 176.600 0.041 0.000 0.974 542 E CA -1.169 55.248 56.400 0.029 0.000 0.936 542 E CB 0.377 30.069 29.700 -0.014 0.000 0.926 542 E HN 0.199 nan 8.360 nan 0.000 0.459 543 P HA 0.062 nan 4.420 nan 0.000 0.267 543 P C 0.275 177.508 177.300 -0.111 0.000 1.209 543 P CA 1.055 64.194 63.100 0.064 0.000 0.763 543 P CB 0.790 32.517 31.700 0.045 0.000 0.816 544 G N 2.516 111.249 108.800 -0.111 0.000 2.217 544 G HA2 -0.314 3.646 3.960 0.000 0.000 0.246 544 G HA3 -0.314 3.646 3.960 0.000 0.000 0.246 544 G C 0.757 175.602 174.900 -0.092 0.000 0.990 544 G CA 0.161 45.151 45.100 -0.183 0.000 0.627 544 G HN 0.518 nan 8.290 nan 0.000 0.522 545 L N 1.107 122.297 121.223 -0.056 0.000 2.191 545 L HA 0.145 4.485 4.340 0.000 0.000 0.212 545 L C 2.862 179.711 176.870 -0.036 0.000 1.103 545 L CA 2.452 57.264 54.840 -0.047 0.000 0.769 545 L CB -0.398 41.631 42.059 -0.051 0.000 0.908 545 L HN 0.521 nan 8.230 nan 0.000 0.438 546 V N -0.030 119.867 119.914 -0.027 0.000 2.380 546 V HA -0.228 3.892 4.120 0.000 0.000 0.251 546 V C 1.555 177.568 176.094 -0.135 0.000 1.063 546 V CA 1.631 63.894 62.300 -0.062 0.000 1.055 546 V CB -0.236 31.587 31.823 0.000 0.000 0.657 546 V HN 0.499 nan 8.190 nan 0.000 0.455 547 L N -0.162 121.044 121.223 -0.029 0.000 3.548 547 L HA -0.226 4.114 4.340 0.000 0.000 0.443 547 L C 0.298 177.312 176.870 0.240 0.000 1.286 547 L CA 0.868 55.749 54.840 0.068 0.000 0.863 547 L CB -2.532 39.578 42.059 0.084 0.000 1.734 547 L HN 0.582 nan 8.230 nan 0.000 0.873 548 H N -0.708 118.455 119.070 0.154 0.000 2.467 548 H HA 0.278 4.834 4.556 0.000 0.000 0.275 548 H C 0.543 176.004 175.328 0.221 0.000 1.131 548 H CA -1.072 55.111 56.048 0.225 0.000 0.989 548 H CB 0.732 30.666 29.762 0.287 0.000 1.696 548 H HN 0.206 nan 8.280 nan 0.000 0.574 549 L N 1.900 123.260 121.223 0.229 0.000 2.540 549 L HA 0.191 4.531 4.340 0.000 0.000 0.276 549 L C 0.614 177.608 176.870 0.208 0.000 1.212 549 L CA 0.779 55.701 54.840 0.136 0.000 0.893 549 L CB 0.365 42.468 42.059 0.073 0.000 1.138 549 L HN 0.276 nan 8.230 nan 0.000 0.491 550 G N 1.868 110.796 108.800 0.213 0.000 2.680 550 G HA2 0.533 4.493 3.960 0.000 0.000 0.290 550 G HA3 0.533 4.493 3.960 0.000 0.000 0.290 550 G C 0.275 175.275 174.900 0.168 0.000 1.355 550 G CA -0.270 44.986 45.100 0.260 0.000 0.903 550 G HN 1.311 nan 8.290 nan 0.000 0.474 551 G N -0.925 107.942 108.800 0.111 0.000 2.155 551 G HA2 -0.241 3.719 3.960 0.000 0.000 0.257 551 G HA3 -0.241 3.719 3.960 0.000 0.000 0.257 551 G C 1.351 176.313 174.900 0.104 0.000 0.983 551 G CA 1.601 46.769 45.100 0.112 0.000 0.676 551 G HN 1.896 nan 8.290 nan 0.000 0.528 552 T N -2.077 112.497 114.554 0.035 0.000 2.962 552 T HA 0.074 4.424 4.350 0.000 0.000 0.270 552 T C 1.130 175.925 174.700 0.159 0.000 1.088 552 T CA 1.889 64.055 62.100 0.109 0.000 1.127 552 T CB -0.288 68.657 68.868 0.129 0.000 0.883 552 T HN 1.480 nan 8.240 nan 0.000 0.493 553 H N -0.041 119.102 119.070 0.123 0.000 2.597 553 H HA 0.483 5.039 4.556 0.000 0.000 0.225 553 H C -0.060 175.312 175.328 0.073 0.000 1.422 553 H CA -1.323 54.773 56.048 0.081 0.000 1.335 553 H CB -0.242 29.533 29.762 0.022 0.000 1.783 553 H HN 0.363 nan 8.280 nan 0.000 0.513 554 R N 0.703 121.282 120.500 0.132 0.000 2.641 554 R HA 0.304 4.644 4.340 0.000 0.000 0.269 554 R C -0.373 175.983 176.300 0.093 0.000 1.074 554 R CA -0.735 55.414 56.100 0.082 0.000 1.133 554 R CB 0.981 31.325 30.300 0.072 0.000 1.029 554 R HN 0.459 nan 8.270 nan 0.000 0.488 555 M N 1.231 120.862 119.600 0.050 0.000 2.274 555 M HA 0.439 4.919 4.480 0.000 0.000 0.344 555 M C -0.416 175.880 176.300 -0.008 0.000 1.161 555 M CA 0.328 55.637 55.300 0.015 0.000 1.126 555 M CB 1.537 34.120 32.600 -0.027 0.000 1.522 555 M HN 0.961 nan 8.290 nan 0.000 0.461 556 G N 1.952 110.754 108.800 0.004 0.000 2.495 556 G HA2 0.370 4.331 3.960 0.000 0.000 0.294 556 G HA3 0.370 4.331 3.960 0.000 0.000 0.294 556 G C -0.910 173.995 174.900 0.008 0.000 1.397 556 G CA -0.719 44.335 45.100 -0.076 0.000 0.790 556 G HN 0.658 nan 8.290 nan 0.000 0.486 557 F N 0.051 120.101 119.950 0.167 0.000 2.163 557 F HA 0.250 4.777 4.527 0.000 0.000 0.297 557 F C 1.165 177.088 175.800 0.205 0.000 1.094 557 F CA 1.253 59.353 58.000 0.166 0.000 1.290 557 F CB 0.329 39.385 39.000 0.093 0.000 1.017 557 F HN 0.408 nan 8.300 nan 0.000 0.483 558 D N -1.082 119.468 120.400 0.250 0.000 2.757 558 D HA 0.132 4.772 4.640 0.000 0.000 0.249 558 D C 0.691 176.819 176.300 -0.286 0.000 1.168 558 D CA -0.255 53.732 54.000 -0.020 0.000 0.870 558 D CB 1.298 42.111 40.800 0.022 0.000 1.411 558 D HN 0.088 nan 8.370 nan 0.000 0.525 559 E N 3.193 122.881 120.200 -0.854 0.000 2.086 559 E HA -0.307 4.043 4.350 0.000 0.000 0.200 559 E C 1.359 177.774 176.600 -0.309 0.000 1.012 559 E CA 1.434 57.322 56.400 -0.853 0.000 0.812 559 E CB 0.251 29.328 29.700 -1.038 0.000 0.743 559 E HN 0.470 nan 8.360 nan 0.000 0.453 560 K N 0.120 120.388 120.400 -0.219 0.000 2.021 560 K HA -0.119 4.201 4.320 0.000 0.000 0.205 560 K C 2.007 178.572 176.600 -0.058 0.000 1.047 560 K CA 1.407 57.634 56.287 -0.099 0.000 0.943 560 K CB 0.037 32.495 32.500 -0.070 0.000 0.725 560 K HN 0.084 nan 8.250 nan 0.000 0.439 561 E N 0.314 120.485 120.200 -0.049 0.000 2.150 561 E HA -0.133 4.217 4.350 0.000 0.000 0.193 561 E C 0.737 177.331 176.600 -0.009 0.000 0.985 561 E CA 1.040 57.433 56.400 -0.011 0.000 0.814 561 E CB 0.144 29.851 29.700 0.011 0.000 0.752 561 E HN 0.377 nan 8.360 nan 0.000 0.466 562 D N 0.109 120.496 120.400 -0.022 0.000 2.363 562 D HA 0.057 4.697 4.640 0.000 0.000 0.214 562 D C -0.627 175.605 176.300 -0.113 0.000 1.093 562 D CA -0.020 53.962 54.000 -0.030 0.000 0.837 562 D CB 0.123 40.941 40.800 0.030 0.000 0.948 562 D HN 0.061 nan 8.370 nan 0.000 0.507 563 N N 0.512 119.141 118.700 -0.118 0.000 2.696 563 N HA -0.187 4.554 4.740 0.000 0.000 0.256 563 N C -0.311 175.112 175.510 -0.144 0.000 1.031 563 N CA 0.658 53.611 53.050 -0.163 0.000 0.730 563 N CB -1.514 36.736 38.487 -0.394 0.000 0.894 563 N HN 0.413 nan 8.380 nan 0.000 0.544 564 C N -3.637 115.657 119.300 -0.010 0.000 3.318 564 C HA 0.798 5.258 4.460 0.000 0.000 0.329 564 C C 1.328 176.480 174.990 0.271 0.000 1.449 564 C CA -0.609 58.478 59.018 0.115 0.000 1.397 564 C CB 1.587 29.418 27.740 0.151 0.000 1.810 564 C HN 0.473 nan 8.230 nan 0.000 0.449 565 C N 0.207 119.711 119.300 0.341 0.000 3.294 565 C HA 0.492 4.952 4.460 0.000 0.000 0.441 565 C C 0.628 175.749 174.990 0.217 0.000 1.364 565 C CA 0.598 59.821 59.018 0.342 0.000 2.059 565 C CB -0.315 27.541 27.740 0.194 0.000 2.925 565 C HN 0.965 nan 8.230 nan 0.000 0.633 566 V N 1.375 121.289 119.914 0.001 0.000 2.914 566 V HA 0.706 4.827 4.120 0.000 0.000 0.314 566 V C -0.685 175.056 176.094 -0.588 0.000 1.084 566 V CA -0.636 61.411 62.300 -0.422 0.000 0.963 566 V CB 1.484 33.189 31.823 -0.197 0.000 1.025 566 V HN 0.406 nan 8.190 nan 0.000 0.432 567 N N 1.026 119.201 118.700 -0.875 0.000 2.431 567 N HA 0.232 4.972 4.740 0.000 0.000 0.289 567 N C 1.099 176.470 175.510 -0.231 0.000 1.277 567 N CA 0.275 53.043 53.050 -0.471 0.000 0.972 567 N CB -0.228 38.009 38.487 -0.418 0.000 1.143 567 N HN 0.932 nan 8.380 nan 0.000 0.578 568 T N -4.742 109.729 114.554 -0.137 0.000 3.113 568 T HA 0.009 4.359 4.350 0.000 0.000 0.263 568 T C 0.138 174.767 174.700 -0.119 0.000 1.143 568 T CA 0.658 62.682 62.100 -0.127 0.000 1.090 568 T CB -0.383 68.439 68.868 -0.078 0.000 0.922 568 T HN 0.430 nan 8.240 nan 0.000 0.521 569 D N 1.041 121.357 120.400 -0.141 0.000 2.328 569 D HA 0.190 4.830 4.640 0.000 0.000 0.221 569 D C 0.560 176.863 176.300 0.005 0.000 1.072 569 D CA 0.123 54.058 54.000 -0.107 0.000 0.850 569 D CB 0.118 40.733 40.800 -0.309 0.000 0.922 569 D HN 0.336 nan 8.370 nan 0.000 0.516 570 S N 0.218 115.889 115.700 -0.048 0.000 3.476 570 S HA -0.253 4.217 4.470 0.000 0.000 0.309 570 S C 0.553 175.144 174.600 -0.016 0.000 1.222 570 S CA 0.425 58.633 58.200 0.014 0.000 0.922 570 S CB -1.343 61.944 63.200 0.145 0.000 1.023 570 S HN 0.465 nan 8.310 nan 0.000 0.591 571 R N 1.173 121.534 120.500 -0.232 0.000 2.308 571 R HA 0.453 4.793 4.340 0.000 0.000 0.305 571 R C -0.037 175.949 176.300 -0.524 0.000 1.053 571 R CA -0.376 55.389 56.100 -0.558 0.000 0.957 571 R CB 0.649 30.570 30.300 -0.631 0.000 1.022 571 R HN 0.137 nan 8.270 nan 0.000 0.461 572 V N 6.231 125.881 119.914 -0.439 0.000 2.529 572 V HA 0.014 4.134 4.120 0.000 0.000 0.292 572 V C 0.144 176.187 176.094 -0.084 0.000 1.028 572 V CA 0.194 62.327 62.300 -0.278 0.000 1.074 572 V CB -0.037 31.605 31.823 -0.303 0.000 0.958 572 V HN 0.567 nan 8.190 nan 0.000 0.481 573 F N 3.857 123.852 119.950 0.074 0.000 2.608 573 F HA 0.402 4.929 4.527 0.000 0.000 0.380 573 F C 1.561 177.497 175.800 0.227 0.000 1.083 573 F CA 1.536 59.602 58.000 0.111 0.000 1.266 573 F CB 0.066 39.123 39.000 0.095 0.000 1.076 573 F HN 0.784 nan 8.300 nan 0.000 0.574 574 G N 2.144 111.130 108.800 0.310 0.000 2.241 574 G HA2 -0.291 3.669 3.960 0.000 0.000 0.244 574 G HA3 -0.291 3.669 3.960 0.000 0.000 0.244 574 G C -0.119 174.723 174.900 -0.097 0.000 0.998 574 G CA -0.519 44.648 45.100 0.112 0.000 0.621 574 G HN 0.429 nan 8.290 nan 0.000 0.519 575 F N 1.298 121.271 119.950 0.039 0.000 2.436 575 F HA 0.589 5.116 4.527 0.000 0.000 0.340 575 F C 1.482 177.265 175.800 -0.028 0.000 1.113 575 F CA -0.952 57.055 58.000 0.012 0.000 1.022 575 F CB 1.615 40.622 39.000 0.011 0.000 1.128 575 F HN -0.221 nan 8.300 nan 0.000 0.466 576 K N 1.603 122.103 120.400 0.167 0.000 2.155 576 K HA -0.063 4.257 4.320 0.000 0.000 0.203 576 K C 0.640 177.439 176.600 0.333 0.000 1.052 576 K CA 1.050 57.465 56.287 0.213 0.000 0.948 576 K CB -0.009 32.621 32.500 0.217 0.000 0.728 576 K HN 0.648 nan 8.250 nan 0.000 0.448 577 N N 0.043 118.907 118.700 0.274 0.000 2.387 577 N HA 0.039 4.780 4.740 0.000 0.000 0.259 577 N C -0.822 174.800 175.510 0.186 0.000 1.369 577 N CA -0.327 52.938 53.050 0.358 0.000 0.867 577 N CB -0.065 38.690 38.487 0.447 0.000 1.341 577 N HN -0.059 nan 8.380 nan 0.000 0.495 578 L N 0.840 121.949 121.223 -0.189 0.000 2.343 578 L HA 0.687 5.027 4.340 0.000 0.000 0.278 578 L C -1.824 174.689 176.870 -0.595 0.000 0.996 578 L CA -0.641 54.067 54.840 -0.220 0.000 0.831 578 L CB 0.780 42.692 42.059 -0.245 0.000 1.232 578 L HN -0.022 nan 8.230 nan 0.000 0.413 579 F N 4.947 124.819 119.950 -0.129 0.000 2.546 579 F HA 0.662 5.189 4.527 0.000 0.000 0.320 579 F C -0.465 175.189 175.800 -0.242 0.000 1.076 579 F CA -0.746 57.159 58.000 -0.158 0.000 0.928 579 F CB 1.735 40.673 39.000 -0.103 0.000 1.189 579 F HN 0.175 nan 8.300 nan 0.000 0.465 580 L N 1.940 123.130 121.223 -0.055 0.000 2.329 580 L HA 0.866 5.206 4.340 0.000 0.000 0.279 580 L C 0.125 177.022 176.870 0.045 0.000 1.014 580 L CA -0.808 53.937 54.840 -0.158 0.000 0.814 580 L CB 1.827 43.650 42.059 -0.392 0.000 1.257 580 L HN 0.792 nan 8.230 nan 0.000 0.424 581 G N 0.398 109.231 108.800 0.055 0.000 2.482 581 G HA2 0.786 4.746 3.960 0.000 0.000 0.317 581 G HA3 0.786 4.746 3.960 0.000 0.000 0.317 581 G C -0.460 174.573 174.900 0.222 0.000 1.241 581 G CA -0.265 44.970 45.100 0.225 0.000 0.967 581 G HN 0.964 nan 8.290 nan 0.000 0.482 582 G N -1.128 107.789 108.800 0.195 0.000 2.343 582 G HA2 0.046 4.006 3.960 0.000 0.000 0.465 582 G HA3 0.046 4.006 3.960 0.000 0.000 0.465 582 G C 0.764 175.708 174.900 0.074 0.000 1.282 582 G CA 0.048 45.233 45.100 0.141 0.000 0.996 582 G HN 1.124 nan 8.290 nan 0.000 0.521 583 C N 0.583 119.907 119.300 0.040 0.000 2.419 583 C HA 0.186 4.646 4.460 0.000 0.000 0.283 583 C C 3.030 177.990 174.990 -0.050 0.000 1.373 583 C CA 1.893 60.913 59.018 0.003 0.000 1.781 583 C CB -1.316 26.460 27.740 0.059 0.000 1.886 583 C HN 1.270 nan 8.230 nan 0.000 0.520 584 G N 1.039 109.717 108.800 -0.204 0.000 2.470 584 G HA2 -0.204 3.756 3.960 0.000 0.000 0.220 584 G HA3 -0.204 3.756 3.960 0.000 0.000 0.220 584 G C 1.418 175.946 174.900 -0.621 0.000 1.121 584 G CA 0.674 45.410 45.100 -0.607 0.000 0.766 584 G HN 0.550 nan 8.290 nan 0.000 0.553 585 N N 0.406 118.928 118.700 -0.297 0.000 2.331 585 N HA 0.007 4.747 4.740 0.000 0.000 0.180 585 N C 0.935 176.448 175.510 0.004 0.000 1.019 585 N CA 0.216 53.250 53.050 -0.027 0.000 0.881 585 N CB 0.014 38.546 38.487 0.075 0.000 0.972 585 N HN 0.307 nan 8.380 nan 0.000 0.435 586 I N 3.030 123.606 120.570 0.011 0.000 2.505 586 I HA 0.036 4.206 4.170 0.000 0.000 0.287 586 I C -1.358 174.847 176.117 0.146 0.000 1.104 586 I CA -0.995 60.346 61.300 0.069 0.000 1.387 586 I CB 1.214 39.211 38.000 -0.006 0.000 1.404 586 I HN -0.053 nan 8.210 nan 0.000 0.528 587 P HA 0.060 nan 4.420 nan 0.000 0.267 587 P C 0.290 177.671 177.300 0.134 0.000 1.289 587 P CA 0.185 63.350 63.100 0.108 0.000 0.866 587 P CB 0.191 31.913 31.700 0.037 0.000 1.309 588 T N -2.104 112.563 114.554 0.189 0.000 2.862 588 T HA 0.660 5.010 4.350 0.000 0.000 0.276 588 T C 0.245 175.061 174.700 0.194 0.000 0.974 588 T CA -0.831 61.367 62.100 0.164 0.000 0.966 588 T CB 1.095 70.039 68.868 0.126 0.000 1.072 588 T HN 0.057 nan 8.240 nan 0.000 0.538 589 A N 1.902 124.772 122.820 0.084 0.000 2.310 589 A HA 0.599 4.919 4.320 0.000 0.000 0.300 589 A C -0.608 176.927 177.584 -0.080 0.000 1.269 589 A CA -0.876 51.158 52.037 -0.004 0.000 0.909 589 A CB -0.912 18.110 19.000 0.037 0.000 1.144 589 A HN 0.855 nan 8.150 nan 0.000 0.540 590 Y N -0.319 119.889 120.300 -0.154 0.000 2.499 590 Y HA 0.734 5.284 4.550 0.000 0.000 0.347 590 Y C 0.735 176.514 175.900 -0.202 0.000 0.987 590 Y CA -0.742 57.084 58.100 -0.455 0.000 1.044 590 Y CB 1.488 39.453 38.460 -0.825 0.000 1.245 590 Y HN 0.368 nan 8.280 nan 0.000 0.461 591 G N 0.468 109.197 108.800 -0.118 0.000 2.743 591 G HA2 0.403 4.363 3.960 0.000 0.000 0.206 591 G HA3 0.403 4.363 3.960 0.000 0.000 0.206 591 G C 0.420 175.435 174.900 0.192 0.000 1.115 591 G CA 0.170 45.407 45.100 0.229 0.000 0.782 591 G HN 0.953 nan 8.290 nan 0.000 0.524 592 A N 0.756 123.514 122.820 -0.104 0.000 2.346 592 A HA 0.486 4.806 4.320 0.000 0.000 0.252 592 A C -0.082 177.409 177.584 -0.156 0.000 1.089 592 A CA -0.432 51.419 52.037 -0.310 0.000 0.797 592 A CB 0.058 18.873 19.000 -0.308 0.000 1.047 592 A HN 0.350 nan 8.150 nan 0.000 0.494 593 N N 1.659 120.136 118.700 -0.370 0.000 2.497 593 N HA 0.279 5.019 4.740 0.000 0.000 0.268 593 N C -2.053 173.341 175.510 -0.193 0.000 1.171 593 N CA -1.051 51.739 53.050 -0.433 0.000 0.948 593 N CB 0.532 38.853 38.487 -0.277 0.000 1.069 593 N HN 0.404 nan 8.380 nan 0.000 0.460 594 P HA 0.009 nan 4.420 nan 0.000 0.245 594 P C 0.416 177.595 177.300 -0.201 0.000 1.203 594 P CA 0.611 63.577 63.100 -0.223 0.000 0.792 594 P CB 0.331 31.877 31.700 -0.258 0.000 0.997 595 T N 0.923 115.440 114.554 -0.063 0.000 2.746 595 T HA -0.124 4.226 4.350 0.000 0.000 0.267 595 T C 1.768 176.548 174.700 0.134 0.000 1.039 595 T CA 0.920 63.050 62.100 0.050 0.000 1.142 595 T CB -0.814 68.112 68.868 0.098 0.000 0.866 595 T HN 0.015 nan 8.240 nan 0.000 0.444 596 L N 1.123 122.442 121.223 0.160 0.000 2.042 596 L HA -0.106 4.234 4.340 0.000 0.000 0.210 596 L C 2.515 179.463 176.870 0.129 0.000 1.076 596 L CA 1.743 56.729 54.840 0.244 0.000 0.749 596 L CB -1.040 41.139 42.059 0.200 0.000 0.893 596 L HN 0.196 nan 8.230 nan 0.000 0.432 597 T N -0.454 114.046 114.554 -0.090 0.000 2.746 597 T HA -0.144 4.206 4.350 0.000 0.000 0.267 597 T C 1.903 176.523 174.700 -0.133 0.000 1.039 597 T CA 1.264 63.222 62.100 -0.237 0.000 1.142 597 T CB -0.494 67.824 68.868 -0.917 0.000 0.866 597 T HN 0.519 nan 8.240 nan 0.000 0.444 598 A N 1.468 124.211 122.820 -0.129 0.000 1.902 598 A HA -0.064 4.256 4.320 0.000 0.000 0.217 598 A C 2.313 179.866 177.584 -0.053 0.000 1.181 598 A CA 1.821 53.821 52.037 -0.062 0.000 0.623 598 A CB -0.726 18.255 19.000 -0.032 0.000 0.818 598 A HN 0.528 nan 8.150 nan 0.000 0.443 599 M N -0.362 119.216 119.600 -0.038 0.000 2.117 599 M HA -0.139 4.341 4.480 0.000 0.000 0.262 599 M C 2.153 178.365 176.300 -0.147 0.000 1.065 599 M CA 2.084 57.333 55.300 -0.085 0.000 1.114 599 M CB -0.155 32.399 32.600 -0.076 0.000 1.361 599 M HN 0.372 nan 8.290 nan 0.000 0.408 600 S N 1.167 116.783 115.700 -0.140 0.000 2.359 600 S HA -0.141 4.329 4.470 0.000 0.000 0.224 600 S C 1.760 176.166 174.600 -0.323 0.000 1.035 600 S CA 1.495 59.543 58.200 -0.253 0.000 1.018 600 S CB -0.562 62.445 63.200 -0.323 0.000 0.876 600 S HN 0.516 nan 8.310 nan 0.000 0.448 601 L N 1.045 122.117 121.223 -0.251 0.000 2.083 601 L HA -0.148 4.192 4.340 0.000 0.000 0.209 601 L C 2.781 179.517 176.870 -0.223 0.000 1.083 601 L CA 1.172 55.870 54.840 -0.237 0.000 0.752 601 L CB -0.714 41.279 42.059 -0.111 0.000 0.899 601 L HN 0.330 nan 8.230 nan 0.000 0.433 602 A N 0.326 123.006 122.820 -0.233 0.000 1.902 602 A HA -0.177 4.143 4.320 0.000 0.000 0.217 602 A C 2.209 179.464 177.584 -0.548 0.000 1.181 602 A CA 1.471 53.241 52.037 -0.445 0.000 0.623 602 A CB -0.624 18.117 19.000 -0.431 0.000 0.818 602 A HN 0.356 nan 8.150 nan 0.000 0.443 603 I N -0.592 119.757 120.570 -0.369 0.000 2.226 603 I HA -0.268 3.902 4.170 0.000 0.000 0.245 603 I C 2.553 178.506 176.117 -0.273 0.000 1.100 603 I CA 1.869 62.988 61.300 -0.301 0.000 1.374 603 I CB -0.228 37.614 38.000 -0.262 0.000 1.057 603 I HN 0.381 nan 8.210 nan 0.000 0.413 604 K N 0.488 120.722 120.400 -0.276 0.000 2.057 604 K HA -0.200 4.120 4.320 0.000 0.000 0.206 604 K C 2.367 178.882 176.600 -0.142 0.000 1.050 604 K CA 1.662 57.818 56.287 -0.219 0.000 0.935 604 K CB -0.094 32.243 32.500 -0.272 0.000 0.715 604 K HN 0.109 nan 8.250 nan 0.000 0.439 605 S N 0.139 115.737 115.700 -0.169 0.000 2.370 605 S HA -0.185 4.285 4.470 0.000 0.000 0.226 605 S C 2.059 176.576 174.600 -0.138 0.000 1.033 605 S CA 1.558 59.706 58.200 -0.086 0.000 1.011 605 S CB -0.496 62.689 63.200 -0.026 0.000 0.852 605 S HN 0.570 nan 8.310 nan 0.000 0.457 606 C N 1.393 120.518 119.300 -0.291 0.000 2.422 606 C HA -0.003 4.457 4.460 0.000 0.000 0.279 606 C C 2.515 177.426 174.990 -0.132 0.000 1.305 606 C CA 0.727 59.589 59.018 -0.261 0.000 1.757 606 C CB -1.498 26.046 27.740 -0.327 0.000 1.962 606 C HN 0.681 nan 8.230 nan 0.000 0.499 607 E N -0.605 119.540 120.200 -0.091 0.000 2.077 607 E HA -0.252 4.099 4.350 0.000 0.000 0.193 607 E C 1.842 178.456 176.600 0.023 0.000 0.989 607 E CA 1.490 57.869 56.400 -0.035 0.000 0.800 607 E CB -0.310 29.364 29.700 -0.043 0.000 0.746 607 E HN 0.831 nan 8.360 nan 0.000 0.452 608 Y N 1.193 121.467 120.300 -0.044 0.000 2.145 608 Y HA -0.221 4.329 4.550 0.000 0.000 0.286 608 Y C 1.985 177.925 175.900 0.067 0.000 1.145 608 Y CA 1.542 59.661 58.100 0.032 0.000 1.148 608 Y CB -0.068 38.451 38.460 0.098 0.000 0.981 608 Y HN -0.049 nan 8.280 nan 0.000 0.507 609 I N 0.242 120.850 120.570 0.064 0.000 2.226 609 I HA -0.321 3.849 4.170 0.000 0.000 0.245 609 I C 2.298 178.460 176.117 0.075 0.000 1.100 609 I CA 1.570 62.890 61.300 0.033 0.000 1.374 609 I CB -0.399 37.399 38.000 -0.338 0.000 1.057 609 I HN 0.178 nan 8.210 nan 0.000 0.413 610 K N 0.383 120.789 120.400 0.010 0.000 2.147 610 K HA -0.186 4.134 4.320 0.000 0.000 0.205 610 K C 1.973 178.618 176.600 0.074 0.000 1.049 610 K CA 1.197 57.558 56.287 0.124 0.000 0.936 610 K CB -0.079 32.470 32.500 0.082 0.000 0.722 610 K HN 0.437 nan 8.250 nan 0.000 0.446 611 Q N -0.330 119.441 119.800 -0.049 0.000 2.424 611 Q HA 0.057 4.397 4.340 0.000 0.000 0.204 611 Q C 0.856 176.737 176.000 -0.198 0.000 0.933 611 Q CA 0.478 56.214 55.803 -0.113 0.000 0.929 611 Q CB 0.445 29.099 28.738 -0.139 0.000 1.037 611 Q HN 0.272 nan 8.270 nan 0.000 0.511 612 N N -1.027 117.522 118.700 -0.253 0.000 2.143 612 N HA 0.157 4.897 4.740 0.000 0.000 0.222 612 N C -0.997 174.111 175.510 -0.669 0.000 1.264 612 N CA 0.218 52.981 53.050 -0.479 0.000 0.897 612 N CB 1.064 39.093 38.487 -0.763 0.000 1.092 612 N HN -0.009 nan 8.380 nan 0.000 0.516 613 F N 0.419 120.392 119.950 0.038 0.000 2.578 613 F HA 0.355 4.882 4.527 0.000 0.000 0.311 613 F C 0.009 175.937 175.800 0.214 0.000 1.094 613 F CA -0.651 57.432 58.000 0.138 0.000 0.923 613 F CB 1.915 41.010 39.000 0.158 0.000 1.230 613 F HN -0.371 nan 8.300 nan 0.000 0.450 614 T N 3.400 118.131 114.554 0.295 0.000 2.771 614 T HA 0.454 4.804 4.350 0.000 0.000 0.281 614 T C -2.637 172.072 174.700 0.014 0.000 0.982 614 T CA -1.510 60.648 62.100 0.096 0.000 0.978 614 T CB 1.342 70.230 68.868 0.035 0.000 0.930 614 T HN 0.114 nan 8.240 nan 0.000 0.447 615 P HA 0.163 nan 4.420 nan 0.000 0.269 615 P C 0.065 177.286 177.300 -0.132 0.000 1.209 615 P CA -0.471 62.375 63.100 -0.424 0.000 0.776 615 P CB 0.315 31.589 31.700 -0.710 0.000 0.876 616 S N 3.075 118.745 115.700 -0.051 0.000 2.576 616 S HA 0.275 4.746 4.470 0.000 0.000 0.272 616 S C -2.043 172.552 174.600 -0.008 0.000 1.352 616 S CA -0.913 57.281 58.200 -0.011 0.000 1.021 616 S CB -0.724 62.478 63.200 0.004 0.000 0.887 616 S HN 0.338 nan 8.310 nan 0.000 0.542 617 P HA 0.181 nan 4.420 nan 0.000 0.280 617 P C -0.826 176.564 177.300 0.151 0.000 1.244 617 P CA -0.496 62.641 63.100 0.060 0.000 0.784 617 P CB 0.219 31.945 31.700 0.043 0.000 0.913 618 F N 3.584 123.518 119.950 -0.027 0.000 2.619 618 F HA 0.193 4.720 4.527 0.000 0.000 0.350 618 F C 0.644 176.436 175.800 -0.014 0.000 1.259 618 F CA -0.443 57.547 58.000 -0.016 0.000 1.204 618 F CB -0.948 38.045 39.000 -0.012 0.000 1.556 618 F HN 0.179 nan 8.300 nan 0.000 0.650 619 T N 0.000 114.726 114.554 0.286 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.167 62.100 0.112 0.000 1.349 619 T CB 0.000 68.914 68.868 0.077 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658