REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2igo_1_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 0.000 176.280 176.300 -0.033 0.000 1.140 43 M CA 0.000 55.326 55.300 0.043 0.000 0.988 43 M CB 0.000 32.471 32.600 -0.216 0.000 1.302 44 D N 4.063 124.458 120.400 -0.009 0.000 2.378 44 D HA 0.192 4.832 4.640 0.000 0.000 0.238 44 D C 1.183 177.384 176.300 -0.164 0.000 1.180 44 D CA 0.088 53.982 54.000 -0.177 0.000 0.895 44 D CB 0.952 41.509 40.800 -0.405 0.000 1.192 44 D HN 0.717 nan 8.370 nan 0.000 0.438 45 I N -2.237 118.235 120.570 -0.164 0.000 3.956 45 I HA 0.183 4.353 4.170 0.000 0.000 0.333 45 I C 0.444 176.518 176.117 -0.072 0.000 1.302 45 I CA -0.009 61.254 61.300 -0.062 0.000 1.122 45 I CB -0.235 37.748 38.000 -0.027 0.000 1.013 45 I HN -0.036 nan 8.210 nan 0.000 0.405 46 K N 0.935 121.159 120.400 -0.292 0.000 2.307 46 K HA 0.571 4.891 4.320 0.000 0.000 0.263 46 K C -1.764 174.508 176.600 -0.547 0.000 0.973 46 K CA -0.476 55.663 56.287 -0.248 0.000 0.846 46 K CB 0.713 33.130 32.500 -0.139 0.000 1.100 46 K HN 0.133 nan 8.250 nan 0.000 0.438 47 Y N 1.362 121.647 120.300 -0.025 0.000 2.576 47 Y HA 0.244 4.794 4.550 0.000 0.000 0.346 47 Y C 0.737 176.611 175.900 -0.043 0.000 1.018 47 Y CA -0.811 57.267 58.100 -0.037 0.000 1.050 47 Y CB 1.873 40.306 38.460 -0.045 0.000 1.280 47 Y HN 0.616 nan 8.280 nan 0.000 0.474 48 D N 0.315 120.791 120.400 0.127 0.000 2.084 48 D HA -0.017 4.623 4.640 0.000 0.000 0.196 48 D C -0.190 176.112 176.300 0.004 0.000 0.985 48 D CA 1.565 55.632 54.000 0.112 0.000 0.826 48 D CB 0.173 41.112 40.800 0.233 0.000 0.978 48 D HN 0.123 nan 8.370 nan 0.000 0.456 49 V N 1.121 121.027 119.914 -0.012 0.000 2.588 49 V HA 0.386 4.506 4.120 0.000 0.000 0.304 49 V C -0.170 175.831 176.094 -0.155 0.000 1.042 49 V CA -1.032 61.170 62.300 -0.165 0.000 0.877 49 V CB 2.369 34.065 31.823 -0.212 0.000 0.996 49 V HN -0.001 nan 8.190 nan 0.000 0.425 50 V N 2.902 122.677 119.914 -0.231 0.000 2.513 50 V HA 0.740 4.860 4.120 0.000 0.000 0.299 50 V C -0.614 175.421 176.094 -0.099 0.000 1.035 50 V CA -0.597 61.623 62.300 -0.133 0.000 0.889 50 V CB 1.721 33.532 31.823 -0.020 0.000 0.988 50 V HN 0.693 nan 8.190 nan 0.000 0.440 51 I N 4.211 124.748 120.570 -0.055 0.000 2.436 51 I HA 0.456 4.626 4.170 0.000 0.000 0.289 51 I C -0.633 175.501 176.117 0.028 0.000 1.010 51 I CA -0.936 60.315 61.300 -0.082 0.000 1.098 51 I CB 2.261 40.196 38.000 -0.108 0.000 1.266 51 I HN 0.441 nan 8.210 nan 0.000 0.434 52 V N 5.514 125.430 119.914 0.004 0.000 2.348 52 V HA 0.786 4.906 4.120 0.000 0.000 0.270 52 V C 0.510 176.605 176.094 0.001 0.000 1.037 52 V CA -0.247 62.079 62.300 0.043 0.000 0.872 52 V CB 0.441 32.266 31.823 0.002 0.000 1.002 52 V HN 1.069 nan 8.190 nan 0.000 0.464 53 G N 3.891 112.709 108.800 0.030 0.000 2.885 53 G HA2 0.033 3.993 3.960 0.000 0.000 0.685 53 G HA3 0.033 3.993 3.960 0.000 0.000 0.685 53 G C -0.132 174.780 174.900 0.020 0.000 1.216 53 G CA -0.278 44.833 45.100 0.017 0.000 0.790 53 G HN 1.243 nan 8.290 nan 0.000 0.631 54 S N 0.744 116.461 115.700 0.028 0.000 2.651 54 S HA 0.615 5.085 4.470 0.000 0.000 0.246 54 S C 1.269 175.883 174.600 0.023 0.000 1.039 54 S CA 0.683 58.907 58.200 0.040 0.000 1.013 54 S CB 0.668 63.903 63.200 0.059 0.000 0.861 54 S HN 1.910 nan 8.310 nan 0.000 0.485 55 G N 2.797 111.602 108.800 0.007 0.000 2.583 55 G HA2 0.373 4.333 3.960 0.000 0.000 0.275 55 G HA3 0.373 4.333 3.960 0.000 0.000 0.275 55 G C -1.154 173.731 174.900 -0.025 0.000 1.342 55 G CA -1.171 43.919 45.100 -0.017 0.000 1.030 55 G HN 0.265 nan 8.290 nan 0.000 0.520 56 P HA -0.021 nan 4.420 nan 0.000 0.223 56 P C 1.614 178.871 177.300 -0.071 0.000 1.151 56 P CA 0.594 63.660 63.100 -0.057 0.000 0.787 56 P CB 0.239 31.939 31.700 -0.001 0.000 0.788 57 I N 0.172 120.732 120.570 -0.018 0.000 2.400 57 I HA 0.001 4.171 4.170 0.000 0.000 0.248 57 I C 2.698 178.876 176.117 0.101 0.000 1.109 57 I CA 1.357 62.677 61.300 0.033 0.000 1.425 57 I CB -2.206 35.837 38.000 0.071 0.000 1.094 57 I HN -0.009 nan 8.210 nan 0.000 0.425 58 G N 0.496 109.327 108.800 0.052 0.000 2.505 58 G HA2 -0.276 3.684 3.960 0.000 0.000 0.220 58 G HA3 -0.276 3.684 3.960 0.000 0.000 0.220 58 G C 1.710 176.605 174.900 -0.008 0.000 1.145 58 G CA 1.214 46.329 45.100 0.025 0.000 0.761 58 G HN 0.426 nan 8.290 nan 0.000 0.571 59 C N 0.483 119.757 119.300 -0.044 0.000 2.481 59 C HA 0.097 4.557 4.460 0.000 0.000 0.275 59 C C 3.120 177.980 174.990 -0.217 0.000 1.419 59 C CA 1.177 60.126 59.018 -0.115 0.000 1.773 59 C CB -0.895 26.831 27.740 -0.022 0.000 1.862 59 C HN 0.451 nan 8.230 nan 0.000 0.530 60 T N 0.017 114.472 114.554 -0.164 0.000 2.777 60 T HA -0.130 4.220 4.350 0.000 0.000 0.266 60 T C 1.459 176.002 174.700 -0.262 0.000 1.040 60 T CA 1.492 63.456 62.100 -0.226 0.000 1.141 60 T CB -0.363 68.401 68.868 -0.173 0.000 0.868 60 T HN 0.557 nan 8.240 nan 0.000 0.444 61 Y N 1.550 121.699 120.300 -0.253 0.000 2.181 61 Y HA -0.047 4.503 4.550 0.000 0.000 0.288 61 Y C 2.773 178.447 175.900 -0.375 0.000 1.146 61 Y CA 0.924 58.858 58.100 -0.277 0.000 1.164 61 Y CB -0.628 37.689 38.460 -0.238 0.000 0.982 61 Y HN 0.190 nan 8.280 nan 0.000 0.515 62 A N 0.398 123.024 122.820 -0.324 0.000 1.865 62 A HA -0.277 4.043 4.320 0.000 0.000 0.217 62 A C 2.216 179.215 177.584 -0.975 0.000 1.191 62 A CA 2.072 53.672 52.037 -0.728 0.000 0.623 62 A CB -0.867 17.462 19.000 -1.118 0.000 0.826 62 A HN 0.463 nan 8.150 nan 0.000 0.444 63 R N -0.352 119.610 120.500 -0.897 0.000 2.096 63 R HA -0.186 4.154 4.340 0.000 0.000 0.240 63 R C 1.986 178.064 176.300 -0.371 0.000 1.139 63 R CA 1.990 57.730 56.100 -0.601 0.000 0.952 63 R CB -0.282 29.702 30.300 -0.526 0.000 0.854 63 R HN 0.548 nan 8.270 nan 0.000 0.436 64 E N 0.174 120.186 120.200 -0.313 0.000 2.107 64 E HA -0.124 4.226 4.350 0.000 0.000 0.191 64 E C 2.066 178.585 176.600 -0.135 0.000 0.982 64 E CA 1.140 57.432 56.400 -0.180 0.000 0.809 64 E CB 0.072 29.659 29.700 -0.188 0.000 0.756 64 E HN 0.461 nan 8.360 nan 0.000 0.459 65 L N 0.028 121.141 121.223 -0.182 0.000 2.253 65 L HA -0.023 4.318 4.340 0.000 0.000 0.205 65 L C 2.457 179.353 176.870 0.044 0.000 1.078 65 L CA 0.186 54.965 54.840 -0.101 0.000 0.805 65 L CB -0.151 41.748 42.059 -0.267 0.000 0.963 65 L HN -0.067 nan 8.230 nan 0.000 0.459 66 V N 0.640 120.493 119.914 -0.101 0.000 2.343 66 V HA -0.218 3.902 4.120 0.000 0.000 0.247 66 V C 2.622 178.725 176.094 0.015 0.000 1.051 66 V CA 2.150 64.429 62.300 -0.035 0.000 1.036 66 V CB -1.224 30.517 31.823 -0.137 0.000 0.654 66 V HN 0.567 nan 8.190 nan 0.000 0.451 67 G N -0.604 108.181 108.800 -0.024 0.000 2.448 67 G HA2 -0.114 3.846 3.960 0.000 0.000 0.219 67 G HA3 -0.114 3.846 3.960 0.000 0.000 0.219 67 G C 1.396 176.317 174.900 0.036 0.000 1.127 67 G CA 0.815 45.921 45.100 0.010 0.000 0.766 67 G HN 0.648 nan 8.290 nan 0.000 0.552 68 A N -0.532 122.333 122.820 0.076 0.000 2.307 68 A HA 0.513 4.833 4.320 0.000 0.000 0.218 68 A C 1.817 179.410 177.584 0.015 0.000 1.228 68 A CA 1.104 53.196 52.037 0.092 0.000 0.857 68 A CB -0.355 18.761 19.000 0.194 0.000 0.897 68 A HN 1.511 nan 8.150 nan 0.000 0.495 69 G N -2.142 106.666 108.800 0.013 0.000 2.159 69 G HA2 -0.260 3.700 3.960 0.000 0.000 0.227 69 G HA3 -0.260 3.700 3.960 0.000 0.000 0.227 69 G C -0.048 174.766 174.900 -0.144 0.000 0.986 69 G CA 0.057 45.111 45.100 -0.077 0.000 0.651 69 G HN 0.390 nan 8.290 nan 0.000 0.523 70 Y N 0.575 120.855 120.300 -0.033 0.000 2.336 70 Y HA 0.472 5.022 4.550 0.000 0.000 0.331 70 Y C 1.101 176.976 175.900 -0.042 0.000 1.211 70 Y CA -0.038 58.043 58.100 -0.033 0.000 1.346 70 Y CB 0.784 39.221 38.460 -0.039 0.000 1.271 70 Y HN 0.018 nan 8.280 nan 0.000 0.538 71 K N 2.853 123.323 120.400 0.118 0.000 2.273 71 K HA 0.390 4.710 4.320 0.000 0.000 0.287 71 K C -1.538 175.153 176.600 0.150 0.000 1.089 71 K CA -0.158 56.175 56.287 0.076 0.000 0.909 71 K CB 0.084 32.597 32.500 0.022 0.000 1.123 71 K HN 0.472 nan 8.250 nan 0.000 0.473 72 V N 3.162 123.144 119.914 0.113 0.000 2.459 72 V HA 0.558 4.678 4.120 0.000 0.000 0.295 72 V C -0.169 175.802 176.094 -0.205 0.000 1.029 72 V CA -0.924 61.392 62.300 0.027 0.000 0.874 72 V CB 1.421 33.311 31.823 0.113 0.000 0.985 72 V HN 0.865 nan 8.190 nan 0.000 0.438 73 A N 5.695 128.241 122.820 -0.456 0.000 2.355 73 A HA 0.953 5.273 4.320 0.000 0.000 0.324 73 A C -0.644 176.564 177.584 -0.626 0.000 1.117 73 A CA -0.652 50.895 52.037 -0.817 0.000 0.785 73 A CB 1.639 19.796 19.000 -1.406 0.000 1.254 73 A HN 0.922 nan 8.150 nan 0.000 0.453 74 M N 2.244 121.387 119.600 -0.762 0.000 2.327 74 M HA 0.712 5.192 4.480 0.000 0.000 0.298 74 M C -2.225 173.727 176.300 -0.579 0.000 1.065 74 M CA -0.398 54.647 55.300 -0.425 0.000 0.916 74 M CB 1.197 33.760 32.600 -0.061 0.000 1.630 74 M HN 0.587 nan 8.290 nan 0.000 0.442 75 F N 2.438 122.380 119.950 -0.014 0.000 2.469 75 F HA 0.561 5.088 4.527 0.000 0.000 0.332 75 F C -0.069 175.727 175.800 -0.008 0.000 1.103 75 F CA -0.434 57.576 58.000 0.017 0.000 0.979 75 F CB 1.421 40.405 39.000 -0.027 0.000 1.137 75 F HN 0.467 nan 8.300 nan 0.000 0.463 76 D N 2.885 123.372 120.400 0.146 0.000 2.780 76 D HA 0.226 4.867 4.640 0.000 0.000 0.242 76 D C 0.659 176.979 176.300 0.034 0.000 1.135 76 D CA -0.355 53.683 54.000 0.064 0.000 0.859 76 D CB 2.447 43.268 40.800 0.035 0.000 1.530 76 D HN 0.647 nan 8.370 nan 0.000 0.493 77 I N 2.012 122.553 120.570 -0.047 0.000 2.454 77 I HA -0.028 4.142 4.170 0.000 0.000 0.254 77 I C 1.142 177.210 176.117 -0.082 0.000 1.156 77 I CA 0.932 62.154 61.300 -0.130 0.000 1.433 77 I CB 0.143 37.939 38.000 -0.339 0.000 1.082 77 I HN 0.340 nan 8.210 nan 0.000 0.432 78 G N -0.153 108.621 108.800 -0.043 0.000 2.537 78 G HA2 0.405 4.365 3.960 0.000 0.000 0.297 78 G HA3 0.405 4.365 3.960 0.000 0.000 0.297 78 G C -0.877 174.037 174.900 0.024 0.000 1.310 78 G CA -0.434 44.666 45.100 0.001 0.000 1.027 78 G HN 0.310 nan 8.290 nan 0.000 0.505 79 E N -1.340 118.880 120.200 0.033 0.000 2.320 79 E HA 0.366 4.716 4.350 0.000 0.000 0.264 79 E C -0.348 176.272 176.600 0.034 0.000 0.923 79 E CA -0.786 55.635 56.400 0.035 0.000 0.796 79 E CB 2.504 32.228 29.700 0.040 0.000 1.262 79 E HN 0.265 nan 8.360 nan 0.000 0.428 80 I N 2.575 123.164 120.570 0.031 0.000 2.668 80 I HA -0.044 4.127 4.170 0.000 0.000 0.285 80 I C 0.081 176.223 176.117 0.042 0.000 1.168 80 I CA 0.920 62.239 61.300 0.033 0.000 1.424 80 I CB 0.097 38.111 38.000 0.024 0.000 1.377 80 I HN 0.594 nan 8.210 nan 0.000 0.560 81 D N 3.496 123.927 120.400 0.051 0.000 3.484 81 D HA 0.010 4.650 4.640 0.000 0.000 0.315 81 D C -0.346 176.004 176.300 0.085 0.000 1.516 81 D CA -0.303 53.734 54.000 0.062 0.000 0.755 81 D CB -0.116 40.718 40.800 0.056 0.000 1.306 81 D HN 0.309 nan 8.370 nan 0.000 0.615 82 S N 0.016 115.769 115.700 0.089 0.000 2.741 82 S HA 0.626 5.096 4.470 0.000 0.000 0.247 82 S C 0.917 175.583 174.600 0.111 0.000 1.050 82 S CA -0.009 58.263 58.200 0.119 0.000 1.025 82 S CB 1.005 64.279 63.200 0.123 0.000 0.897 82 S HN 0.882 nan 8.310 nan 0.000 0.508 83 G N 1.817 110.670 108.800 0.088 0.000 2.542 83 G HA2 -0.243 3.717 3.960 0.000 0.000 0.235 83 G HA3 -0.243 3.717 3.960 0.000 0.000 0.235 83 G C 0.352 175.284 174.900 0.053 0.000 1.286 83 G CA -0.161 44.983 45.100 0.074 0.000 0.904 83 G HN 0.324 nan 8.290 nan 0.000 0.577 84 L N 0.565 121.814 121.223 0.044 0.000 2.291 84 L HA 0.117 4.457 4.340 0.000 0.000 0.214 84 L C 1.386 178.268 176.870 0.019 0.000 1.120 84 L CA 1.077 55.932 54.840 0.025 0.000 0.799 84 L CB -0.334 41.735 42.059 0.017 0.000 0.925 84 L HN 0.322 nan 8.230 nan 0.000 0.446 85 K N 1.641 122.063 120.400 0.037 0.000 2.263 85 K HA 0.350 4.670 4.320 0.000 0.000 0.282 85 K C -0.370 176.251 176.600 0.034 0.000 1.089 85 K CA -0.195 56.109 56.287 0.029 0.000 0.907 85 K CB 1.129 33.660 32.500 0.050 0.000 1.148 85 K HN 0.073 nan 8.250 nan 0.000 0.470 86 I N 2.103 122.676 120.570 0.005 0.000 2.533 86 I HA -0.022 4.148 4.170 0.000 0.000 0.284 86 I C 1.294 177.427 176.117 0.027 0.000 1.109 86 I CA 0.662 61.970 61.300 0.013 0.000 1.412 86 I CB 0.597 38.592 38.000 -0.008 0.000 1.396 86 I HN 0.993 nan 8.210 nan 0.000 0.543 87 G N 4.457 113.285 108.800 0.047 0.000 2.153 87 G HA2 -0.217 3.743 3.960 0.000 0.000 0.252 87 G HA3 -0.217 3.743 3.960 0.000 0.000 0.252 87 G C 0.311 175.264 174.900 0.089 0.000 0.994 87 G CA 0.148 45.282 45.100 0.057 0.000 0.698 87 G HN 0.936 nan 8.290 nan 0.000 0.521 88 A N -0.478 122.409 122.820 0.113 0.000 2.257 88 A HA 0.646 4.966 4.320 0.000 0.000 0.289 88 A C 0.518 178.234 177.584 0.220 0.000 1.095 88 A CA -0.352 51.790 52.037 0.174 0.000 0.836 88 A CB 0.354 19.454 19.000 0.166 0.000 1.111 88 A HN 0.611 nan 8.150 nan 0.000 0.497 89 H N 0.549 119.756 119.070 0.228 0.000 2.848 89 H HA 0.124 4.680 4.556 0.000 0.000 0.317 89 H C 0.663 176.121 175.328 0.217 0.000 1.046 89 H CA 0.571 56.769 56.048 0.251 0.000 1.470 89 H CB 0.851 30.784 29.762 0.284 0.000 1.483 89 H HN 0.663 nan 8.280 nan 0.000 0.548 90 K N 3.475 124.077 120.400 0.335 0.000 2.442 90 K HA -0.111 4.209 4.320 0.000 0.000 0.198 90 K C 1.606 178.454 176.600 0.413 0.000 1.042 90 K CA 0.758 57.297 56.287 0.419 0.000 0.958 90 K CB 0.347 33.113 32.500 0.443 0.000 0.766 90 K HN 0.483 nan 8.250 nan 0.000 0.474 91 K N 0.766 121.282 120.400 0.193 0.000 2.444 91 K HA 0.026 4.346 4.320 0.000 0.000 0.193 91 K C 0.387 177.015 176.600 0.048 0.000 1.024 91 K CA 0.360 56.416 56.287 -0.385 0.000 1.077 91 K CB 0.255 31.860 32.500 -1.491 0.000 0.833 91 K HN -0.096 nan 8.250 nan 0.000 0.517 92 N N 2.340 121.180 118.700 0.234 0.000 2.484 92 N HA -0.014 4.726 4.740 0.000 0.000 0.245 92 N C -0.680 175.126 175.510 0.494 0.000 1.184 92 N CA 0.389 53.633 53.050 0.323 0.000 0.884 92 N CB 0.678 39.378 38.487 0.356 0.000 1.182 92 N HN 0.385 nan 8.380 nan 0.000 0.493 93 T N -4.097 110.719 114.554 0.437 0.000 2.902 93 T HA 0.324 4.674 4.350 0.000 0.000 0.283 93 T C 1.571 176.514 174.700 0.405 0.000 1.009 93 T CA -0.772 61.546 62.100 0.364 0.000 1.051 93 T CB 1.710 70.726 68.868 0.247 0.000 0.999 93 T HN -0.186 nan 8.240 nan 0.000 0.474 94 V N 1.579 121.659 119.914 0.276 0.000 2.332 94 V HA -0.132 3.988 4.120 0.000 0.000 0.248 94 V C 2.812 178.999 176.094 0.155 0.000 1.055 94 V CA 2.421 64.862 62.300 0.234 0.000 1.038 94 V CB -1.026 30.834 31.823 0.061 0.000 0.651 94 V HN 1.060 nan 8.190 nan 0.000 0.450 95 E N -0.372 119.855 120.200 0.045 0.000 2.077 95 E HA -0.229 4.121 4.350 0.000 0.000 0.193 95 E C 2.036 178.590 176.600 -0.077 0.000 0.989 95 E CA 1.728 58.088 56.400 -0.066 0.000 0.800 95 E CB -0.340 29.255 29.700 -0.176 0.000 0.746 95 E HN 0.658 nan 8.360 nan 0.000 0.452 96 Y N 0.917 121.310 120.300 0.155 0.000 2.242 96 Y HA -0.060 4.490 4.550 0.000 0.000 0.291 96 Y C 2.242 178.201 175.900 0.098 0.000 1.137 96 Y CA 1.348 59.533 58.100 0.142 0.000 1.181 96 Y CB -0.266 38.281 38.460 0.144 0.000 0.989 96 Y HN 0.179 nan 8.280 nan 0.000 0.527 97 Q N -0.141 119.808 119.800 0.249 0.000 2.291 97 Q HA -0.149 4.192 4.340 0.000 0.000 0.205 97 Q C 1.733 177.827 176.000 0.157 0.000 0.970 97 Q CA 1.017 56.922 55.803 0.171 0.000 0.876 97 Q CB -0.112 28.703 28.738 0.129 0.000 0.935 97 Q HN 0.471 nan 8.270 nan 0.000 0.455 98 K N 0.257 120.745 120.400 0.146 0.000 2.365 98 K HA 0.051 4.371 4.320 0.000 0.000 0.197 98 K C 0.362 177.024 176.600 0.104 0.000 1.042 98 K CA 0.366 56.717 56.287 0.107 0.000 0.987 98 K CB 0.439 32.986 32.500 0.077 0.000 0.779 98 K HN 0.091 nan 8.250 nan 0.000 0.484 99 N N 1.260 120.044 118.700 0.140 0.000 2.703 99 N HA 0.051 4.791 4.740 0.000 0.000 0.283 99 N C 0.156 175.807 175.510 0.234 0.000 1.851 99 N CA 0.035 53.177 53.050 0.154 0.000 0.826 99 N CB 1.048 39.610 38.487 0.126 0.000 1.239 99 N HN 0.046 nan 8.380 nan 0.000 0.495 100 I N 0.416 121.106 120.570 0.201 0.000 2.394 100 I HA -0.166 4.005 4.170 0.000 0.000 0.251 100 I C 0.689 176.941 176.117 0.225 0.000 1.136 100 I CA 1.485 62.911 61.300 0.210 0.000 1.425 100 I CB 0.269 38.350 38.000 0.135 0.000 1.079 100 I HN 0.101 nan 8.210 nan 0.000 0.425 101 D N 1.067 121.593 120.400 0.209 0.000 2.350 101 D HA -0.126 4.514 4.640 0.000 0.000 0.216 101 D C 1.904 178.299 176.300 0.159 0.000 0.968 101 D CA 0.515 54.627 54.000 0.188 0.000 0.894 101 D CB -0.010 40.926 40.800 0.227 0.000 0.909 101 D HN 0.299 nan 8.370 nan 0.000 0.520 102 K N -0.080 120.456 120.400 0.227 0.000 2.365 102 K HA -0.051 4.269 4.320 0.000 0.000 0.199 102 K C 1.677 178.386 176.600 0.182 0.000 1.045 102 K CA -0.038 56.391 56.287 0.235 0.000 0.962 102 K CB -0.314 32.392 32.500 0.344 0.000 0.759 102 K HN 0.209 nan 8.250 nan 0.000 0.469 103 F N 1.565 121.493 119.950 -0.036 0.000 2.293 103 F HA -0.174 4.353 4.527 0.000 0.000 0.300 103 F C 1.829 177.513 175.800 -0.193 0.000 1.086 103 F CA 0.585 58.392 58.000 -0.322 0.000 1.375 103 F CB -0.071 38.702 39.000 -0.378 0.000 1.045 103 F HN -0.295 nan 8.300 nan 0.000 0.516 104 V N 0.572 120.409 119.914 -0.130 0.000 2.380 104 V HA -0.400 3.720 4.120 0.000 0.000 0.251 104 V C 1.850 177.787 176.094 -0.262 0.000 1.063 104 V CA 2.456 64.635 62.300 -0.201 0.000 1.055 104 V CB -1.083 30.635 31.823 -0.176 0.000 0.657 104 V HN 0.397 nan 8.190 nan 0.000 0.455 105 N N -0.139 118.432 118.700 -0.215 0.000 2.142 105 N HA -0.131 4.609 4.740 0.000 0.000 0.186 105 N C 1.683 177.039 175.510 -0.256 0.000 1.023 105 N CA 1.320 54.264 53.050 -0.177 0.000 0.852 105 N CB -0.316 38.125 38.487 -0.076 0.000 0.998 105 N HN 0.330 nan 8.380 nan 0.000 0.424 106 V N 1.398 121.045 119.914 -0.444 0.000 2.287 106 V HA -0.231 3.889 4.120 0.000 0.000 0.248 106 V C 2.051 177.856 176.094 -0.483 0.000 1.053 106 V CA 1.500 63.481 62.300 -0.532 0.000 1.027 106 V CB -0.553 30.683 31.823 -0.978 0.000 0.646 106 V HN 0.307 nan 8.190 nan 0.000 0.447 107 I N -0.432 119.785 120.570 -0.589 0.000 2.127 107 I HA -0.332 3.838 4.170 0.000 0.000 0.241 107 I C 2.716 178.713 176.117 -0.200 0.000 1.075 107 I CA 1.801 62.895 61.300 -0.343 0.000 1.334 107 I CB -0.487 37.343 38.000 -0.283 0.000 1.040 107 I HN 0.347 nan 8.210 nan 0.000 0.405 108 Q N 0.460 120.145 119.800 -0.193 0.000 2.124 108 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 108 Q C 2.347 178.286 176.000 -0.101 0.000 0.977 108 Q CA 1.549 57.274 55.803 -0.131 0.000 0.850 108 Q CB -0.419 28.240 28.738 -0.132 0.000 0.901 108 Q HN 0.665 nan 8.270 nan 0.000 0.429 109 G N 1.259 109.990 108.800 -0.114 0.000 2.448 109 G HA2 -0.268 3.692 3.960 0.000 0.000 0.219 109 G HA3 -0.268 3.692 3.960 0.000 0.000 0.219 109 G C 1.174 176.043 174.900 -0.052 0.000 1.127 109 G CA 0.956 46.011 45.100 -0.076 0.000 0.766 109 G HN 0.492 nan 8.290 nan 0.000 0.552 110 Q N -0.677 119.084 119.800 -0.064 0.000 2.217 110 Q HA 0.353 4.693 4.340 0.000 0.000 0.217 110 Q C 0.333 176.326 176.000 -0.011 0.000 0.844 110 Q CA -0.266 55.520 55.803 -0.028 0.000 0.957 110 Q CB 0.122 28.843 28.738 -0.029 0.000 1.127 110 Q HN 0.282 nan 8.270 nan 0.000 0.503 111 L N 2.336 123.543 121.223 -0.026 0.000 2.268 111 L HA 0.385 4.725 4.340 0.000 0.000 0.289 111 L C -0.729 176.144 176.870 0.006 0.000 1.064 111 L CA -0.596 54.239 54.840 -0.008 0.000 0.824 111 L CB 0.785 42.829 42.059 -0.025 0.000 1.202 111 L HN 0.166 nan 8.230 nan 0.000 0.433 112 M N 2.276 121.896 119.600 0.034 0.000 2.180 112 M HA 0.253 4.733 4.480 0.000 0.000 0.350 112 M C 0.244 176.571 176.300 0.044 0.000 1.125 112 M CA -0.181 55.145 55.300 0.044 0.000 1.031 112 M CB 1.543 34.190 32.600 0.078 0.000 1.623 112 M HN 0.303 nan 8.290 nan 0.000 0.451 113 S N 1.898 117.615 115.700 0.028 0.000 2.552 113 S HA 0.100 4.570 4.470 0.000 0.000 0.289 113 S C 1.549 176.177 174.600 0.046 0.000 1.304 113 S CA -0.584 57.633 58.200 0.028 0.000 1.063 113 S CB 0.525 63.732 63.200 0.012 0.000 0.848 113 S HN 0.583 nan 8.310 nan 0.000 0.499 114 V N 2.605 122.558 119.914 0.066 0.000 2.307 114 V HA -0.035 4.085 4.120 0.000 0.000 0.245 114 V C 1.243 177.334 176.094 -0.004 0.000 1.045 114 V CA 1.578 63.910 62.300 0.055 0.000 1.024 114 V CB -0.096 31.807 31.823 0.133 0.000 0.651 114 V HN 0.804 nan 8.190 nan 0.000 0.449 115 S N -0.616 115.100 115.700 0.027 0.000 2.750 115 S HA 0.527 4.997 4.470 0.000 0.000 0.276 115 S C -1.144 173.455 174.600 -0.002 0.000 1.165 115 S CA -0.484 57.695 58.200 -0.035 0.000 1.047 115 S CB 1.417 64.550 63.200 -0.111 0.000 1.056 115 S HN 0.017 nan 8.310 nan 0.000 0.481 116 V N 7.767 127.668 119.914 -0.022 0.000 2.384 116 V HA 0.584 4.704 4.120 0.000 0.000 0.287 116 V C -1.977 174.099 176.094 -0.030 0.000 1.020 116 V CA -1.802 60.486 62.300 -0.020 0.000 0.850 116 V CB 1.590 33.401 31.823 -0.020 0.000 0.987 116 V HN 0.708 nan 8.190 nan 0.000 0.436 117 P HA 0.196 nan 4.420 nan 0.000 0.274 117 P C -0.170 177.107 177.300 -0.039 0.000 1.246 117 P CA -0.162 62.919 63.100 -0.032 0.000 0.795 117 P CB 1.074 32.757 31.700 -0.028 0.000 1.006 118 V N 2.422 122.316 119.914 -0.033 0.000 2.617 118 V HA -0.063 4.057 4.120 0.000 0.000 0.304 118 V C 1.309 177.359 176.094 -0.073 0.000 1.040 118 V CA 0.324 62.602 62.300 -0.038 0.000 1.149 118 V CB -0.775 31.047 31.823 -0.002 0.000 0.914 118 V HN 0.638 nan 8.190 nan 0.000 0.487 119 N N 3.637 122.289 118.700 -0.081 0.000 2.488 119 N HA 0.115 4.855 4.740 0.000 0.000 0.274 119 N C 0.545 175.923 175.510 -0.222 0.000 1.111 119 N CA 0.359 53.341 53.050 -0.113 0.000 0.974 119 N CB 1.579 40.026 38.487 -0.066 0.000 1.089 119 N HN 0.870 nan 8.380 nan 0.000 0.465 120 T N 0.918 115.220 114.554 -0.420 0.000 3.252 120 T HA 0.274 4.624 4.350 0.000 0.000 0.286 120 T C 0.705 174.951 174.700 -0.758 0.000 1.013 120 T CA -0.445 60.998 62.100 -1.095 0.000 0.914 120 T CB -0.531 67.750 68.868 -0.979 0.000 1.131 120 T HN 0.278 nan 8.240 nan 0.000 0.529 121 L N 1.956 123.019 121.223 -0.266 0.000 2.410 121 L HA 0.375 4.715 4.340 0.000 0.000 0.273 121 L C 0.131 177.074 176.870 0.122 0.000 1.152 121 L CA -0.767 54.033 54.840 -0.068 0.000 0.855 121 L CB 0.881 42.927 42.059 -0.021 0.000 1.129 121 L HN 0.064 nan 8.230 nan 0.000 0.463 122 V N 4.900 124.893 119.914 0.132 0.000 2.432 122 V HA 0.141 4.261 4.120 0.000 0.000 0.271 122 V C 0.236 176.403 176.094 0.123 0.000 1.046 122 V CA -0.408 62.020 62.300 0.213 0.000 0.945 122 V CB 1.486 33.413 31.823 0.175 0.000 0.992 122 V HN 0.407 nan 8.190 nan 0.000 0.471 123 V N 5.632 125.617 119.914 0.117 0.000 2.328 123 V HA 0.343 4.463 4.120 0.000 0.000 0.278 123 V C 0.300 176.424 176.094 0.051 0.000 1.021 123 V CA -0.408 61.935 62.300 0.071 0.000 0.838 123 V CB 1.414 33.279 31.823 0.069 0.000 0.999 123 V HN 1.062 nan 8.190 nan 0.000 0.447 124 D N 2.145 122.568 120.400 0.038 0.000 2.538 124 D HA 0.003 4.643 4.640 0.000 0.000 0.231 124 D C 1.075 177.384 176.300 0.016 0.000 1.229 124 D CA 0.183 54.196 54.000 0.022 0.000 0.828 124 D CB 0.399 41.211 40.800 0.020 0.000 1.035 124 D HN 0.551 nan 8.370 nan 0.000 0.495 125 T N -1.526 113.040 114.554 0.020 0.000 3.248 125 T HA 0.335 4.685 4.350 0.000 0.000 0.271 125 T C 0.714 175.425 174.700 0.018 0.000 1.005 125 T CA -0.577 61.532 62.100 0.016 0.000 0.902 125 T CB -0.388 68.490 68.868 0.017 0.000 1.102 125 T HN 0.026 nan 8.240 nan 0.000 0.548 126 L N 1.984 123.218 121.223 0.020 0.000 2.483 126 L HA 0.250 4.590 4.340 0.000 0.000 0.276 126 L C 1.172 178.052 176.870 0.016 0.000 1.213 126 L CA -0.457 54.397 54.840 0.023 0.000 0.843 126 L CB 0.350 42.425 42.059 0.028 0.000 1.107 126 L HN 0.284 nan 8.230 nan 0.000 0.487 127 S N 2.510 118.222 115.700 0.020 0.000 2.558 127 S HA 0.075 4.545 4.470 0.000 0.000 0.288 127 S C -1.358 173.247 174.600 0.009 0.000 1.318 127 S CA -1.030 57.179 58.200 0.015 0.000 1.056 127 S CB 0.761 63.974 63.200 0.021 0.000 0.853 127 S HN 0.413 nan 8.310 nan 0.000 0.505 128 P HA -0.083 nan 4.420 nan 0.000 0.219 128 P C 1.414 178.711 177.300 -0.004 0.000 1.146 128 P CA 1.395 64.489 63.100 -0.009 0.000 0.808 128 P CB -0.323 31.371 31.700 -0.010 0.000 0.779 129 T N -5.096 109.464 114.554 0.010 0.000 3.035 129 T HA 0.052 4.402 4.350 0.000 0.000 0.268 129 T C 0.992 175.717 174.700 0.042 0.000 1.109 129 T CA 0.185 62.298 62.100 0.022 0.000 1.119 129 T CB -0.689 68.195 68.868 0.027 0.000 0.900 129 T HN -0.073 nan 8.240 nan 0.000 0.503 130 S N 1.251 116.978 115.700 0.046 0.000 2.565 130 S HA 0.295 4.765 4.470 0.000 0.000 0.276 130 S C -0.557 174.109 174.600 0.111 0.000 1.326 130 S CA -1.020 57.234 58.200 0.090 0.000 1.045 130 S CB 0.199 63.452 63.200 0.087 0.000 0.918 130 S HN 0.606 nan 8.310 nan 0.000 0.505 131 W N 3.138 124.443 121.300 0.009 0.000 2.322 131 W HA 0.157 4.817 4.660 0.000 0.000 0.328 131 W C 0.291 176.820 176.519 0.018 0.000 1.395 131 W CA 0.457 57.806 57.345 0.007 0.000 1.267 131 W CB 0.196 29.660 29.460 0.007 0.000 1.259 131 W HN 0.511 nan 8.180 nan 0.000 0.560 132 Q N 3.858 123.301 119.800 -0.596 0.000 2.423 132 Q HA 0.626 4.966 4.340 0.000 0.000 0.278 132 Q C -0.947 174.494 176.000 -0.933 0.000 1.097 132 Q CA -0.990 54.522 55.803 -0.485 0.000 0.809 132 Q CB 2.216 30.791 28.738 -0.271 0.000 1.391 132 Q HN 0.570 nan 8.270 nan 0.000 0.428 133 A N 1.044 123.606 122.820 -0.430 0.000 2.354 133 A HA 0.350 4.670 4.320 0.000 0.000 0.269 133 A C 0.445 177.853 177.584 -0.295 0.000 1.109 133 A CA -0.132 51.745 52.037 -0.267 0.000 0.800 133 A CB 0.814 19.913 19.000 0.165 0.000 1.045 133 A HN 0.786 nan 8.150 nan 0.000 0.489 134 S N -0.158 115.393 115.700 -0.249 0.000 2.501 134 S HA 0.087 4.557 4.470 0.000 0.000 0.220 134 S C 0.913 175.403 174.600 -0.183 0.000 0.997 134 S CA 0.999 59.077 58.200 -0.202 0.000 0.919 134 S CB -0.094 63.011 63.200 -0.158 0.000 0.778 134 S HN 1.083 nan 8.310 nan 0.000 0.523 135 T N -1.323 113.157 114.554 -0.124 0.000 2.865 135 T HA 0.627 4.977 4.350 0.000 0.000 0.294 135 T C -0.836 173.804 174.700 -0.099 0.000 1.119 135 T CA -0.783 61.253 62.100 -0.106 0.000 1.007 135 T CB 0.732 69.641 68.868 0.069 0.000 1.225 135 T HN -0.063 nan 8.240 nan 0.000 0.515 136 F N 3.043 123.079 119.950 0.143 0.000 2.605 136 F HA 0.371 4.898 4.527 0.000 0.000 0.352 136 F C 0.491 176.349 175.800 0.097 0.000 1.236 136 F CA -1.603 56.442 58.000 0.075 0.000 1.267 136 F CB -0.953 38.058 39.000 0.017 0.000 1.632 136 F HN 0.550 nan 8.300 nan 0.000 0.639 137 F N -0.753 119.291 119.950 0.157 0.000 2.399 137 F HA 0.535 5.062 4.527 0.000 0.000 0.313 137 F C -0.016 175.855 175.800 0.119 0.000 1.202 137 F CA -1.669 56.406 58.000 0.124 0.000 1.192 137 F CB -0.185 38.879 39.000 0.105 0.000 1.256 137 F HN -0.157 nan 8.300 nan 0.000 0.558 138 V N 2.991 123.034 119.914 0.215 0.000 2.421 138 V HA 0.276 4.396 4.120 0.000 0.000 0.271 138 V C 0.109 176.203 176.094 -0.001 0.000 1.031 138 V CA 0.055 62.399 62.300 0.073 0.000 1.032 138 V CB -0.704 31.190 31.823 0.118 0.000 1.009 138 V HN 0.737 nan 8.190 nan 0.000 0.477 139 R N 3.771 124.172 120.500 -0.164 0.000 2.808 139 R HA 0.481 4.821 4.340 0.000 0.000 0.272 139 R C 0.109 176.349 176.300 -0.100 0.000 0.995 139 R CA -1.003 54.969 56.100 -0.213 0.000 0.917 139 R CB 1.262 31.280 30.300 -0.470 0.000 1.217 139 R HN 0.629 nan 8.270 nan 0.000 0.471 140 N N 0.503 119.171 118.700 -0.054 0.000 2.725 140 N HA -0.194 4.546 4.740 0.000 0.000 0.249 140 N C 0.472 175.967 175.510 -0.025 0.000 1.103 140 N CA 1.591 54.619 53.050 -0.036 0.000 0.707 140 N CB -1.129 37.331 38.487 -0.046 0.000 1.043 140 N HN 1.077 nan 8.380 nan 0.000 0.553 141 G N -1.865 106.926 108.800 -0.015 0.000 2.162 141 G HA2 -0.325 3.635 3.960 0.000 0.000 0.260 141 G HA3 -0.325 3.635 3.960 0.000 0.000 0.260 141 G C 0.298 175.190 174.900 -0.012 0.000 0.976 141 G CA 0.952 46.047 45.100 -0.008 0.000 0.655 141 G HN 1.301 nan 8.290 nan 0.000 0.533 142 S N -0.624 115.062 115.700 -0.022 0.000 2.600 142 S HA 0.529 4.999 4.470 0.000 0.000 0.265 142 S C 0.084 174.673 174.600 -0.019 0.000 1.325 142 S CA 0.054 58.238 58.200 -0.026 0.000 1.002 142 S CB 1.816 64.994 63.200 -0.038 0.000 0.921 142 S HN 0.756 nan 8.310 nan 0.000 0.554 143 N N 1.668 120.350 118.700 -0.030 0.000 2.558 143 N HA 0.374 5.114 4.740 0.000 0.000 0.242 143 N C -1.729 173.764 175.510 -0.027 0.000 0.979 143 N CA -2.561 50.464 53.050 -0.042 0.000 0.931 143 N CB 1.342 39.777 38.487 -0.087 0.000 1.122 143 N HN 0.332 nan 8.380 nan 0.000 0.508 144 P HA -0.084 nan 4.420 nan 0.000 0.225 144 P C 0.347 177.668 177.300 0.036 0.000 1.148 144 P CA 0.959 64.075 63.100 0.028 0.000 0.779 144 P CB 0.546 32.278 31.700 0.053 0.000 0.780 145 E N -0.161 120.047 120.200 0.014 0.000 2.347 145 E HA -0.110 4.240 4.350 0.000 0.000 0.196 145 E C 0.952 177.562 176.600 0.017 0.000 1.008 145 E CA 0.594 57.023 56.400 0.049 0.000 0.852 145 E CB -0.183 29.486 29.700 -0.052 0.000 0.783 145 E HN 0.324 nan 8.360 nan 0.000 0.505 146 Q N 2.202 121.976 119.800 -0.044 0.000 2.314 146 Q HA 0.031 4.371 4.340 0.000 0.000 0.257 146 Q C -0.829 175.178 176.000 0.013 0.000 0.975 146 Q CA -0.215 55.559 55.803 -0.048 0.000 0.933 146 Q CB 0.772 29.466 28.738 -0.073 0.000 1.195 146 Q HN -0.201 nan 8.270 nan 0.000 0.426 147 D N 5.911 126.339 120.400 0.047 0.000 2.371 147 D HA 0.054 4.694 4.640 0.000 0.000 0.256 147 D C -1.700 174.617 176.300 0.028 0.000 1.193 147 D CA -1.845 52.183 54.000 0.046 0.000 0.881 147 D CB 1.316 42.158 40.800 0.070 0.000 1.143 147 D HN 0.441 nan 8.370 nan 0.000 0.473 148 P HA -0.059 nan 4.420 nan 0.000 0.226 148 P C 1.294 178.597 177.300 0.004 0.000 1.153 148 P CA 0.579 63.677 63.100 -0.002 0.000 0.777 148 P CB 0.374 32.060 31.700 -0.023 0.000 0.794 149 L N -1.168 120.062 121.223 0.011 0.000 2.592 149 L HA 0.171 4.511 4.340 0.000 0.000 0.227 149 L C 1.568 178.453 176.870 0.026 0.000 1.127 149 L CA 0.306 55.154 54.840 0.013 0.000 0.884 149 L CB -0.142 41.920 42.059 0.006 0.000 1.065 149 L HN -0.153 nan 8.230 nan 0.000 0.457 150 R N -0.187 120.339 120.500 0.042 0.000 2.698 150 R HA 0.197 4.537 4.340 0.000 0.000 0.422 150 R C -0.392 175.968 176.300 0.100 0.000 1.073 150 R CA -0.254 55.884 56.100 0.063 0.000 1.054 150 R CB 0.360 30.701 30.300 0.067 0.000 1.373 150 R HN 0.053 nan 8.270 nan 0.000 0.593 151 N N 0.545 119.283 118.700 0.063 0.000 2.459 151 N HA 0.342 5.082 4.740 0.000 0.000 0.288 151 N C -0.654 174.789 175.510 -0.112 0.000 1.186 151 N CA -0.577 52.501 53.050 0.047 0.000 0.917 151 N CB 1.157 39.666 38.487 0.038 0.000 1.219 151 N HN 0.073 nan 8.380 nan 0.000 0.525 152 L N 2.138 123.143 121.223 -0.364 0.000 2.407 152 L HA 0.206 4.546 4.340 0.000 0.000 0.261 152 L C 1.388 178.084 176.870 -0.291 0.000 1.108 152 L CA -0.290 54.202 54.840 -0.580 0.000 0.995 152 L CB 0.358 41.660 42.059 -1.262 0.000 1.349 152 L HN 0.649 nan 8.230 nan 0.000 0.423 153 S N -0.263 115.356 115.700 -0.136 0.000 2.447 153 S HA -0.102 4.368 4.470 0.000 0.000 0.233 153 S C 1.758 176.320 174.600 -0.063 0.000 1.006 153 S CA 0.892 59.056 58.200 -0.058 0.000 0.957 153 S CB -0.104 63.074 63.200 -0.037 0.000 0.773 153 S HN 0.642 nan 8.310 nan 0.000 0.507 154 G N 0.347 109.089 108.800 -0.097 0.000 2.712 154 G HA2 0.095 4.055 3.960 0.000 0.000 0.212 154 G HA3 0.095 4.055 3.960 0.000 0.000 0.212 154 G C 0.594 175.445 174.900 -0.083 0.000 1.142 154 G CA -0.282 44.769 45.100 -0.080 0.000 0.789 154 G HN 0.372 nan 8.290 nan 0.000 0.535 155 Q N 0.504 120.231 119.800 -0.121 0.000 2.364 155 Q HA 0.512 4.852 4.340 0.000 0.000 0.267 155 Q C -0.189 175.818 176.000 0.011 0.000 0.999 155 Q CA 0.305 56.062 55.803 -0.076 0.000 0.886 155 Q CB 1.454 30.118 28.738 -0.124 0.000 1.243 155 Q HN 0.274 nan 8.270 nan 0.000 0.415 156 A N 1.741 124.572 122.820 0.018 0.000 2.606 156 A HA 0.708 5.028 4.320 0.000 0.000 0.293 156 A C -1.055 176.548 177.584 0.031 0.000 1.082 156 A CA -0.575 51.478 52.037 0.027 0.000 0.685 156 A CB 1.333 20.339 19.000 0.009 0.000 1.284 156 A HN 0.463 nan 8.150 nan 0.000 0.408 157 V N -1.835 118.105 119.914 0.044 0.000 3.001 157 V HA 0.948 5.068 4.120 0.000 0.000 0.314 157 V C -0.402 175.738 176.094 0.077 0.000 1.099 157 V CA -0.550 61.784 62.300 0.055 0.000 0.989 157 V CB 1.602 33.457 31.823 0.054 0.000 1.040 157 V HN 0.894 nan 8.190 nan 0.000 0.434 158 T N 2.713 117.312 114.554 0.075 0.000 2.807 158 T HA 0.597 4.947 4.350 0.000 0.000 0.279 158 T C -0.359 174.377 174.700 0.061 0.000 0.993 158 T CA -0.509 61.626 62.100 0.057 0.000 0.970 158 T CB 1.221 70.109 68.868 0.033 0.000 0.950 158 T HN 0.766 nan 8.240 nan 0.000 0.441 159 R N 2.502 123.030 120.500 0.047 0.000 2.335 159 R HA 0.621 4.961 4.340 0.000 0.000 0.302 159 R C -0.804 175.507 176.300 0.018 0.000 1.147 159 R CA -0.596 55.511 56.100 0.013 0.000 1.111 159 R CB 0.829 31.112 30.300 -0.028 0.000 1.122 159 R HN 0.523 nan 8.270 nan 0.000 0.557 160 V N -1.671 118.254 119.914 0.017 0.000 3.204 160 V HA 0.441 4.561 4.120 0.000 0.000 0.298 160 V C -0.169 175.938 176.094 0.021 0.000 1.328 160 V CA -1.172 61.142 62.300 0.023 0.000 1.035 160 V CB 1.837 33.676 31.823 0.027 0.000 1.095 160 V HN 0.137 nan 8.190 nan 0.000 0.442 161 V N 2.660 122.590 119.914 0.027 0.000 2.655 161 V HA 0.539 4.659 4.120 0.000 0.000 0.300 161 V C 1.772 177.884 176.094 0.030 0.000 1.044 161 V CA 1.689 64.007 62.300 0.030 0.000 1.095 161 V CB 0.241 32.083 31.823 0.033 0.000 0.952 161 V HN 2.165 nan 8.190 nan 0.000 0.485 162 G N 3.122 111.939 108.800 0.028 0.000 2.234 162 G HA2 -0.065 3.895 3.960 0.000 0.000 0.260 162 G HA3 -0.065 3.895 3.960 0.000 0.000 0.260 162 G C 1.081 175.973 174.900 -0.013 0.000 0.987 162 G CA 0.472 45.581 45.100 0.015 0.000 0.625 162 G HN 2.184 nan 8.290 nan 0.000 0.532 163 G N -0.098 108.701 108.800 -0.003 0.000 2.582 163 G HA2 -0.284 3.676 3.960 0.000 0.000 0.288 163 G HA3 -0.284 3.676 3.960 0.000 0.000 0.288 163 G C 1.136 176.022 174.900 -0.024 0.000 1.247 163 G CA 1.256 46.351 45.100 -0.007 0.000 0.972 163 G HN 1.092 nan 8.290 nan 0.000 0.557 164 M N 1.531 121.110 119.600 -0.035 0.000 2.476 164 M HA 0.005 4.485 4.480 0.000 0.000 0.262 164 M C 2.724 178.979 176.300 -0.075 0.000 1.079 164 M CA 1.697 56.985 55.300 -0.021 0.000 1.104 164 M CB -0.159 32.449 32.600 0.014 0.000 1.409 164 M HN 0.734 nan 8.290 nan 0.000 0.467 165 S N -0.387 115.174 115.700 -0.231 0.000 2.603 165 S HA -0.072 4.398 4.470 0.000 0.000 0.229 165 S C 1.640 176.173 174.600 -0.112 0.000 0.972 165 S CA 1.213 59.151 58.200 -0.435 0.000 0.935 165 S CB -0.885 61.977 63.200 -0.564 0.000 0.769 165 S HN 0.572 nan 8.310 nan 0.000 0.536 166 T N -2.450 112.050 114.554 -0.090 0.000 3.085 166 T HA 0.468 4.818 4.350 0.000 0.000 0.263 166 T C 1.270 175.801 174.700 -0.282 0.000 1.127 166 T CA 0.534 62.558 62.100 -0.126 0.000 1.103 166 T CB -0.026 68.837 68.868 -0.008 0.000 0.921 166 T HN 0.583 nan 8.240 nan 0.000 0.510 167 A N 0.057 122.802 122.820 -0.124 0.000 2.653 167 A HA 0.423 4.743 4.320 0.000 0.000 0.248 167 A C 0.636 178.421 177.584 0.335 0.000 1.211 167 A CA -0.732 51.393 52.037 0.147 0.000 0.991 167 A CB -0.106 18.940 19.000 0.077 0.000 1.252 167 A HN 0.624 nan 8.150 nan 0.000 0.593 168 W N 0.197 121.509 121.300 0.021 0.000 2.034 168 W HA 0.381 5.041 4.660 0.000 0.000 0.357 168 W C 0.027 176.639 176.519 0.156 0.000 1.326 168 W CA 0.789 58.206 57.345 0.119 0.000 1.318 168 W CB -0.789 28.720 29.460 0.080 0.000 1.193 168 W HN -0.046 nan 8.180 nan 0.000 0.620 169 T N 0.936 115.462 114.554 -0.047 0.000 3.088 169 T HA 0.002 4.352 4.350 0.000 0.000 0.259 169 T C 1.032 175.311 174.700 -0.701 0.000 1.122 169 T CA 1.075 62.968 62.100 -0.344 0.000 1.095 169 T CB -0.543 68.275 68.868 -0.083 0.000 0.930 169 T HN 0.660 nan 8.240 nan 0.000 0.508 170 C N 1.088 119.586 119.300 -1.337 0.000 4.465 170 C HA -0.116 4.344 4.460 0.000 0.000 0.274 170 C C 1.129 175.617 174.990 -0.837 0.000 1.337 170 C CA -0.728 57.265 59.018 -1.709 0.000 1.822 170 C CB -2.758 24.486 27.740 -0.826 0.000 1.357 170 C HN 0.759 nan 8.230 nan 0.000 0.753 171 A N 1.103 123.633 122.820 -0.483 0.000 2.404 171 A HA 0.569 4.889 4.320 0.000 0.000 0.273 171 A C 0.755 178.237 177.584 -0.169 0.000 1.144 171 A CA 1.078 52.986 52.037 -0.216 0.000 0.806 171 A CB 0.201 19.145 19.000 -0.094 0.000 1.080 171 A HN 1.401 nan 8.150 nan 0.000 0.509 172 T N 1.586 116.064 114.554 -0.127 0.000 3.410 172 T HA 0.524 4.874 4.350 0.000 0.000 0.328 172 T C -2.755 171.895 174.700 -0.082 0.000 1.567 172 T CA -1.486 60.577 62.100 -0.061 0.000 1.626 172 T CB 0.644 69.514 68.868 0.003 0.000 0.939 172 T HN 0.438 nan 8.240 nan 0.000 0.656 173 P HA 0.385 nan 4.420 nan 0.000 0.276 173 P C -0.173 176.982 177.300 -0.241 0.000 1.244 173 P CA -0.644 62.355 63.100 -0.169 0.000 0.801 173 P CB 1.097 32.666 31.700 -0.217 0.000 1.006 174 R N 0.834 121.106 120.500 -0.380 0.000 2.539 174 R HA 0.348 4.688 4.340 0.000 0.000 0.275 174 R C -0.012 176.146 176.300 -0.238 0.000 1.077 174 R CA -0.414 55.233 56.100 -0.755 0.000 1.097 174 R CB 0.165 29.945 30.300 -0.868 0.000 1.018 174 R HN 0.382 nan 8.270 nan 0.000 0.483 175 F N 2.504 122.207 119.950 -0.411 0.000 2.427 175 F HA 0.024 4.551 4.527 0.000 0.000 0.352 175 F C 1.091 176.699 175.800 -0.319 0.000 1.100 175 F CA -1.377 56.418 58.000 -0.341 0.000 1.191 175 F CB 0.157 38.948 39.000 -0.349 0.000 1.128 175 F HN 0.546 nan 8.300 nan 0.000 0.533 176 D N 2.965 123.290 120.400 -0.125 0.000 2.414 176 D HA 0.087 4.727 4.640 0.000 0.000 0.251 176 D C 1.073 177.286 176.300 -0.145 0.000 1.252 176 D CA -0.380 53.547 54.000 -0.121 0.000 0.999 176 D CB 0.596 41.339 40.800 -0.096 0.000 1.093 176 D HN 0.481 nan 8.370 nan 0.000 0.515 177 R N -0.568 119.873 120.500 -0.098 0.000 2.096 177 R HA -0.164 4.176 4.340 0.000 0.000 0.235 177 R C 2.137 178.383 176.300 -0.090 0.000 1.127 177 R CA 1.617 57.667 56.100 -0.084 0.000 0.968 177 R CB -0.261 30.024 30.300 -0.024 0.000 0.861 177 R HN 0.680 nan 8.270 nan 0.000 0.440 178 E N 0.851 120.995 120.200 -0.093 0.000 2.153 178 E HA -0.224 4.127 4.350 0.000 0.000 0.194 178 E C 1.423 177.915 176.600 -0.179 0.000 0.988 178 E CA 1.251 57.602 56.400 -0.081 0.000 0.811 178 E CB 0.196 29.891 29.700 -0.008 0.000 0.746 178 E HN 0.396 nan 8.360 nan 0.000 0.466 179 Q N -0.431 119.160 119.800 -0.349 0.000 2.360 179 Q HA 0.115 4.455 4.340 0.000 0.000 0.202 179 Q C 0.322 176.199 176.000 -0.205 0.000 0.915 179 Q CA -0.067 55.460 55.803 -0.460 0.000 0.943 179 Q CB 0.530 28.667 28.738 -1.002 0.000 1.064 179 Q HN -0.027 nan 8.270 nan 0.000 0.511 180 R N 1.849 122.279 120.500 -0.116 0.000 2.460 180 R HA 0.305 4.645 4.340 0.000 0.000 0.303 180 R C -2.551 173.731 176.300 -0.031 0.000 0.968 180 R CA -2.176 53.858 56.100 -0.109 0.000 0.889 180 R CB 0.996 31.055 30.300 -0.402 0.000 1.123 180 R HN -0.124 nan 8.270 nan 0.000 0.455 181 P HA 0.040 nan 4.420 nan 0.000 0.272 181 P C -0.602 176.868 177.300 0.284 0.000 1.223 181 P CA -0.042 63.152 63.100 0.157 0.000 0.784 181 P CB 0.606 32.423 31.700 0.194 0.000 0.923 182 L N 2.553 123.896 121.223 0.201 0.000 2.371 182 L HA 0.213 4.553 4.340 0.000 0.000 0.272 182 L C 1.624 178.655 176.870 0.268 0.000 1.124 182 L CA -0.252 54.780 54.840 0.321 0.000 0.816 182 L CB 0.485 42.777 42.059 0.388 0.000 1.129 182 L HN 0.375 nan 8.230 nan 0.000 0.448 183 L N 2.836 124.259 121.223 0.332 0.000 2.577 183 L HA 0.213 4.553 4.340 0.000 0.000 0.225 183 L C -0.266 176.784 176.870 0.301 0.000 1.053 183 L CA 0.248 55.179 54.840 0.151 0.000 0.866 183 L CB 0.932 42.867 42.059 -0.207 0.000 1.132 183 L HN 0.314 nan 8.230 nan 0.000 0.486 184 V N 1.627 121.708 119.914 0.278 0.000 2.444 184 V HA 0.222 4.342 4.120 0.000 0.000 0.294 184 V C -0.250 175.927 176.094 0.138 0.000 1.022 184 V CA -0.998 61.403 62.300 0.167 0.000 0.850 184 V CB 1.463 33.337 31.823 0.086 0.000 0.992 184 V HN 0.190 nan 8.190 nan 0.000 0.426 185 K N 2.485 122.841 120.400 -0.073 0.000 2.185 185 K HA 0.368 4.688 4.320 0.000 0.000 0.271 185 K C -0.337 176.227 176.600 -0.060 0.000 1.013 185 K CA -0.464 55.743 56.287 -0.134 0.000 0.943 185 K CB 0.679 32.887 32.500 -0.486 0.000 0.998 185 K HN 0.618 nan 8.250 nan 0.000 0.468 186 D N 1.028 121.421 120.400 -0.012 0.000 2.708 186 D HA -0.165 4.475 4.640 0.000 0.000 0.236 186 D C -0.858 175.448 176.300 0.010 0.000 1.146 186 D CA 1.451 55.450 54.000 -0.002 0.000 0.662 186 D CB -0.725 40.061 40.800 -0.024 0.000 1.059 186 D HN 0.786 nan 8.370 nan 0.000 0.428 187 D N -1.512 118.907 120.400 0.032 0.000 2.684 187 D HA 0.304 4.944 4.640 0.000 0.000 0.233 187 D C 0.826 177.163 176.300 0.061 0.000 1.374 187 D CA 0.214 54.236 54.000 0.037 0.000 0.906 187 D CB 0.159 40.973 40.800 0.024 0.000 1.526 187 D HN 0.008 nan 8.370 nan 0.000 0.518 188 A N 1.877 124.736 122.820 0.064 0.000 1.972 188 A HA -0.131 4.189 4.320 0.000 0.000 0.219 188 A C 1.588 179.223 177.584 0.084 0.000 1.169 188 A CA 1.350 53.436 52.037 0.081 0.000 0.635 188 A CB 0.096 19.136 19.000 0.067 0.000 0.810 188 A HN 0.395 nan 8.150 nan 0.000 0.446 189 D N -0.199 120.240 120.400 0.064 0.000 2.183 189 D HA 0.101 4.741 4.640 0.000 0.000 0.205 189 D C 2.244 178.583 176.300 0.065 0.000 0.962 189 D CA 1.203 55.239 54.000 0.061 0.000 0.849 189 D CB -0.411 40.415 40.800 0.045 0.000 0.978 189 D HN 0.382 nan 8.370 nan 0.000 0.488 190 A N 1.057 123.911 122.820 0.056 0.000 1.908 190 A HA -0.245 4.075 4.320 0.000 0.000 0.218 190 A C 1.968 179.597 177.584 0.075 0.000 1.181 190 A CA 2.162 54.230 52.037 0.051 0.000 0.627 190 A CB -0.692 18.330 19.000 0.037 0.000 0.818 190 A HN 0.198 nan 8.150 nan 0.000 0.445 191 D N -0.510 119.958 120.400 0.114 0.000 2.097 191 D HA -0.158 4.482 4.640 0.000 0.000 0.195 191 D C 1.361 177.817 176.300 0.260 0.000 0.989 191 D CA 1.562 55.675 54.000 0.188 0.000 0.827 191 D CB -0.144 40.796 40.800 0.234 0.000 0.966 191 D HN 0.344 nan 8.370 nan 0.000 0.456 192 D N -0.334 120.190 120.400 0.207 0.000 2.123 192 D HA -0.128 4.513 4.640 0.000 0.000 0.196 192 D C 1.979 178.391 176.300 0.187 0.000 0.992 192 D CA 1.484 55.608 54.000 0.206 0.000 0.833 192 D CB -0.548 40.328 40.800 0.127 0.000 0.954 192 D HN 0.326 nan 8.370 nan 0.000 0.455 193 A N 0.584 123.475 122.820 0.119 0.000 1.898 193 A HA -0.189 4.131 4.320 0.000 0.000 0.216 193 A C 2.140 179.757 177.584 0.056 0.000 1.181 193 A CA 1.943 54.027 52.037 0.078 0.000 0.620 193 A CB -0.561 18.467 19.000 0.046 0.000 0.819 193 A HN 0.245 nan 8.150 nan 0.000 0.442 194 E N -1.125 119.089 120.200 0.023 0.000 2.072 194 E HA -0.205 4.145 4.350 0.000 0.000 0.191 194 E C 1.698 178.218 176.600 -0.133 0.000 0.985 194 E CA 1.406 57.751 56.400 -0.091 0.000 0.801 194 E CB -0.415 29.186 29.700 -0.165 0.000 0.750 194 E HN 0.725 nan 8.360 nan 0.000 0.452 195 W N 0.786 122.059 121.300 -0.045 0.000 2.358 195 W HA -0.104 4.556 4.660 0.000 0.000 0.303 195 W C 2.122 178.643 176.519 0.004 0.000 1.208 195 W CA 1.181 58.469 57.345 -0.096 0.000 1.274 195 W CB -0.300 29.148 29.460 -0.019 0.000 1.138 195 W HN 0.246 nan 8.180 nan 0.000 0.515 196 D N 0.029 120.611 120.400 0.303 0.000 2.123 196 D HA -0.229 4.411 4.640 0.000 0.000 0.196 196 D C 2.148 178.524 176.300 0.126 0.000 0.992 196 D CA 1.517 55.652 54.000 0.224 0.000 0.833 196 D CB -0.223 40.664 40.800 0.145 0.000 0.954 196 D HN -0.031 nan 8.370 nan 0.000 0.455 197 R N -0.380 120.147 120.500 0.045 0.000 2.081 197 R HA -0.078 4.262 4.340 0.000 0.000 0.235 197 R C 2.439 178.700 176.300 -0.065 0.000 1.131 197 R CA 1.022 57.110 56.100 -0.021 0.000 0.960 197 R CB -0.258 30.011 30.300 -0.052 0.000 0.856 197 R HN 0.263 nan 8.270 nan 0.000 0.436 198 L N -0.623 120.531 121.223 -0.116 0.000 2.027 198 L HA -0.166 4.174 4.340 0.000 0.000 0.206 198 L C 2.292 179.099 176.870 -0.106 0.000 1.074 198 L CA 1.142 55.858 54.840 -0.207 0.000 0.745 198 L CB -0.602 41.213 42.059 -0.407 0.000 0.898 198 L HN 0.170 nan 8.230 nan 0.000 0.433 199 Y N 0.265 120.578 120.300 0.021 0.000 2.224 199 Y HA -0.219 4.331 4.550 0.000 0.000 0.289 199 Y C 2.852 178.734 175.900 -0.030 0.000 1.146 199 Y CA 1.446 59.562 58.100 0.026 0.000 1.182 199 Y CB -1.041 37.465 38.460 0.077 0.000 0.983 199 Y HN 0.132 nan 8.280 nan 0.000 0.524 200 T N -0.513 114.110 114.554 0.115 0.000 2.821 200 T HA -0.174 4.176 4.350 0.000 0.000 0.267 200 T C 1.982 176.646 174.700 -0.059 0.000 1.046 200 T CA 1.519 63.639 62.100 0.033 0.000 1.139 200 T CB -0.095 68.784 68.868 0.019 0.000 0.871 200 T HN 0.220 nan 8.240 nan 0.000 0.454 201 K N 0.862 121.174 120.400 -0.148 0.000 2.031 201 K HA 0.066 4.387 4.320 0.000 0.000 0.205 201 K C 2.508 178.786 176.600 -0.537 0.000 1.049 201 K CA 1.028 57.097 56.287 -0.364 0.000 0.939 201 K CB -0.261 31.995 32.500 -0.406 0.000 0.717 201 K HN 0.247 nan 8.250 nan 0.000 0.438 202 A N 1.199 123.828 122.820 -0.318 0.000 1.972 202 A HA -0.186 4.134 4.320 0.000 0.000 0.219 202 A C 1.756 179.345 177.584 0.009 0.000 1.169 202 A CA 1.651 53.568 52.037 -0.200 0.000 0.635 202 A CB -0.412 18.586 19.000 -0.003 0.000 0.810 202 A HN 0.445 nan 8.150 nan 0.000 0.446 203 E N -0.580 119.658 120.200 0.063 0.000 2.208 203 E HA -0.112 4.238 4.350 0.000 0.000 0.193 203 E C 2.193 178.868 176.600 0.126 0.000 0.988 203 E CA 1.028 57.514 56.400 0.143 0.000 0.828 203 E CB -0.096 29.662 29.700 0.096 0.000 0.763 203 E HN 0.642 nan 8.360 nan 0.000 0.478 204 S N -0.303 115.416 115.700 0.032 0.000 2.387 204 S HA -0.126 4.344 4.470 0.000 0.000 0.226 204 S C 1.777 176.497 174.600 0.201 0.000 1.026 204 S CA 0.615 58.858 58.200 0.071 0.000 0.972 204 S CB -0.144 63.058 63.200 0.004 0.000 0.814 204 S HN 0.236 nan 8.310 nan 0.000 0.477 205 Y N 0.415 120.724 120.300 0.016 0.000 2.181 205 Y HA 0.100 4.650 4.550 0.000 0.000 0.288 205 Y C 1.920 177.846 175.900 0.042 0.000 1.146 205 Y CA 0.268 58.345 58.100 -0.039 0.000 1.164 205 Y CB -1.051 37.296 38.460 -0.188 0.000 0.982 205 Y HN 0.342 nan 8.280 nan 0.000 0.515 206 F N 0.220 120.331 119.950 0.268 0.000 2.789 206 F HA 0.055 4.582 4.527 0.000 0.000 0.300 206 F C 0.741 176.656 175.800 0.192 0.000 1.132 206 F CA 0.120 58.270 58.000 0.251 0.000 1.404 206 F CB -0.256 38.920 39.000 0.293 0.000 1.114 206 F HN -0.016 nan 8.300 nan 0.000 0.584 207 Q N 0.503 120.494 119.800 0.318 0.000 2.463 207 Q HA -0.189 4.151 4.340 0.000 0.000 0.299 207 Q C 0.041 176.130 176.000 0.149 0.000 1.353 207 Q CA 0.719 56.634 55.803 0.187 0.000 0.828 207 Q CB -2.614 26.210 28.738 0.144 0.000 1.157 207 Q HN 0.203 nan 8.270 nan 0.000 0.436 208 T N 0.036 114.691 114.554 0.169 0.000 2.916 208 T HA 0.457 4.807 4.350 0.000 0.000 0.303 208 T C 0.767 175.498 174.700 0.052 0.000 1.025 208 T CA 0.580 62.742 62.100 0.103 0.000 1.142 208 T CB 1.270 70.209 68.868 0.118 0.000 0.947 208 T HN 0.485 nan 8.240 nan 0.000 0.544 209 G N 0.729 109.542 108.800 0.023 0.000 2.695 209 G HA2 0.558 4.518 3.960 0.000 0.000 0.290 209 G HA3 0.558 4.518 3.960 0.000 0.000 0.290 209 G C 0.055 174.961 174.900 0.011 0.000 1.410 209 G CA -0.675 44.430 45.100 0.007 0.000 0.844 209 G HN 0.614 nan 8.290 nan 0.000 0.478 210 T N -2.308 112.252 114.554 0.011 0.000 3.339 210 T HA 0.265 4.615 4.350 0.000 0.000 0.292 210 T C 0.065 174.777 174.700 0.020 0.000 1.012 210 T CA 0.373 62.489 62.100 0.027 0.000 0.937 210 T CB 0.372 69.261 68.868 0.035 0.000 1.164 210 T HN 0.489 nan 8.240 nan 0.000 0.509 211 D N 0.253 120.644 120.400 -0.014 0.000 2.500 211 D HA 0.063 4.703 4.640 0.000 0.000 0.217 211 D C 1.304 177.537 176.300 -0.113 0.000 1.159 211 D CA -0.079 53.892 54.000 -0.048 0.000 0.828 211 D CB -0.012 40.755 40.800 -0.055 0.000 1.039 211 D HN 0.268 nan 8.370 nan 0.000 0.512 212 Q N -0.444 119.286 119.800 -0.116 0.000 2.369 212 Q HA 0.165 4.505 4.340 0.000 0.000 0.206 212 Q C 0.270 175.912 176.000 -0.596 0.000 0.963 212 Q CA 0.838 56.445 55.803 -0.326 0.000 0.894 212 Q CB -0.207 28.312 28.738 -0.364 0.000 0.965 212 Q HN 0.269 nan 8.270 nan 0.000 0.475 213 F N -0.065 119.721 119.950 -0.274 0.000 2.698 213 F HA 0.231 4.758 4.527 0.000 0.000 0.304 213 F C 1.209 176.795 175.800 -0.358 0.000 1.108 213 F CA -0.529 57.267 58.000 -0.339 0.000 1.263 213 F CB 0.352 39.088 39.000 -0.440 0.000 1.013 213 F HN 0.000 nan 8.300 nan 0.000 0.532 214 K N 0.290 120.589 120.400 -0.167 0.000 2.283 214 K HA -0.084 4.236 4.320 0.000 0.000 0.202 214 K C 0.651 177.179 176.600 -0.120 0.000 1.048 214 K CA 1.587 57.830 56.287 -0.074 0.000 0.948 214 K CB -0.146 32.308 32.500 -0.077 0.000 0.742 214 K HN 0.313 nan 8.250 nan 0.000 0.458 215 E N 1.653 121.662 120.200 -0.319 0.000 2.569 215 E HA 0.057 4.407 4.350 0.000 0.000 0.205 215 E C -0.755 175.695 176.600 -0.251 0.000 1.006 215 E CA -0.349 55.632 56.400 -0.698 0.000 0.985 215 E CB 1.007 30.050 29.700 -1.096 0.000 1.060 215 E HN 0.220 nan 8.360 nan 0.000 0.460 216 S N 0.614 116.315 115.700 0.002 0.000 2.531 216 S HA 0.145 4.616 4.470 0.000 0.000 0.279 216 S C 1.218 175.909 174.600 0.153 0.000 1.305 216 S CA -0.392 57.866 58.200 0.097 0.000 1.058 216 S CB 0.480 63.799 63.200 0.199 0.000 0.899 216 S HN 0.230 nan 8.310 nan 0.000 0.493 217 I N 4.814 125.354 120.570 -0.051 0.000 2.252 217 I HA -0.139 4.031 4.170 0.000 0.000 0.245 217 I C 2.703 178.652 176.117 -0.280 0.000 1.102 217 I CA 1.083 62.102 61.300 -0.469 0.000 1.385 217 I CB -0.204 37.251 38.000 -0.909 0.000 1.064 217 I HN 0.703 nan 8.210 nan 0.000 0.414 218 R N -0.486 119.935 120.500 -0.131 0.000 2.081 218 R HA -0.232 4.108 4.340 0.000 0.000 0.235 218 R C 2.351 178.679 176.300 0.046 0.000 1.131 218 R CA 1.685 57.759 56.100 -0.043 0.000 0.960 218 R CB -0.655 29.632 30.300 -0.021 0.000 0.856 218 R HN 0.419 nan 8.270 nan 0.000 0.436 219 H N 1.195 120.282 119.070 0.028 0.000 2.290 219 H HA -0.069 4.487 4.556 0.000 0.000 0.298 219 H C 1.771 177.167 175.328 0.114 0.000 1.087 219 H CA 1.951 58.038 56.048 0.065 0.000 1.291 219 H CB -0.110 29.722 29.762 0.118 0.000 1.369 219 H HN 0.124 nan 8.280 nan 0.000 0.492 220 N N -0.007 118.795 118.700 0.170 0.000 2.244 220 N HA -0.122 4.618 4.740 0.000 0.000 0.183 220 N C 2.028 177.685 175.510 0.246 0.000 1.016 220 N CA 0.971 54.169 53.050 0.246 0.000 0.866 220 N CB -0.207 38.630 38.487 0.584 0.000 0.980 220 N HN 0.304 nan 8.380 nan 0.000 0.430 221 L N 1.308 122.685 121.223 0.256 0.000 2.012 221 L HA -0.123 4.217 4.340 0.000 0.000 0.210 221 L C 2.132 179.056 176.870 0.089 0.000 1.073 221 L CA 1.391 56.377 54.840 0.243 0.000 0.748 221 L CB -0.556 41.601 42.059 0.162 0.000 0.891 221 L HN -0.122 nan 8.230 nan 0.000 0.431 222 V N -0.865 119.054 119.914 0.007 0.000 2.323 222 V HA -0.231 3.889 4.120 0.000 0.000 0.244 222 V C 2.422 178.438 176.094 -0.130 0.000 1.041 222 V CA 1.471 63.738 62.300 -0.055 0.000 1.025 222 V CB -0.680 31.083 31.823 -0.099 0.000 0.656 222 V HN 0.488 nan 8.190 nan 0.000 0.451 223 L N 1.199 122.309 121.223 -0.190 0.000 1.990 223 L HA -0.217 4.123 4.340 0.000 0.000 0.213 223 L C 2.213 179.016 176.870 -0.111 0.000 1.072 223 L CA 2.196 56.921 54.840 -0.191 0.000 0.755 223 L CB -1.052 40.868 42.059 -0.232 0.000 0.889 223 L HN 0.325 nan 8.230 nan 0.000 0.432 224 N N -0.221 118.464 118.700 -0.025 0.000 2.120 224 N HA -0.207 4.534 4.740 0.000 0.000 0.188 224 N C 1.848 177.343 175.510 -0.026 0.000 1.024 224 N CA 1.416 54.470 53.050 0.006 0.000 0.852 224 N CB -0.346 38.173 38.487 0.053 0.000 1.003 224 N HN 0.312 nan 8.380 nan 0.000 0.424 225 K N 1.358 121.741 120.400 -0.029 0.000 2.026 225 K HA 0.043 4.363 4.320 0.000 0.000 0.208 225 K C 1.940 178.494 176.600 -0.077 0.000 1.048 225 K CA 0.931 57.197 56.287 -0.034 0.000 0.929 225 K CB -0.433 32.064 32.500 -0.005 0.000 0.713 225 K HN 0.120 nan 8.250 nan 0.000 0.439 226 L N 0.030 121.133 121.223 -0.201 0.000 2.093 226 L HA -0.157 4.183 4.340 0.000 0.000 0.208 226 L C 2.265 178.954 176.870 -0.302 0.000 1.085 226 L CA 1.607 56.203 54.840 -0.406 0.000 0.755 226 L CB -0.771 40.597 42.059 -1.151 0.000 0.904 226 L HN 0.268 nan 8.230 nan 0.000 0.435 227 T N -0.748 113.682 114.554 -0.207 0.000 2.708 227 T HA -0.255 4.095 4.350 0.000 0.000 0.266 227 T C 1.776 176.540 174.700 0.106 0.000 1.037 227 T CA 1.701 63.845 62.100 0.074 0.000 1.146 227 T CB -0.134 68.784 68.868 0.083 0.000 0.865 227 T HN 0.399 nan 8.240 nan 0.000 0.435 228 E N 0.703 120.925 120.200 0.036 0.000 2.049 228 E HA -0.221 4.129 4.350 0.000 0.000 0.198 228 E C 2.143 178.752 176.600 0.014 0.000 1.007 228 E CA 1.227 57.639 56.400 0.021 0.000 0.809 228 E CB -0.001 29.693 29.700 -0.010 0.000 0.749 228 E HN 0.364 nan 8.360 nan 0.000 0.450 229 E N -0.431 119.764 120.200 -0.008 0.000 2.153 229 E HA -0.163 4.187 4.350 0.000 0.000 0.194 229 E C 0.751 177.212 176.600 -0.232 0.000 0.988 229 E CA 0.947 57.270 56.400 -0.129 0.000 0.811 229 E CB -0.046 29.539 29.700 -0.192 0.000 0.746 229 E HN 0.481 nan 8.360 nan 0.000 0.466 230 Y N 0.524 120.867 120.300 0.072 0.000 2.751 230 Y HA 0.210 4.760 4.550 0.000 0.000 0.289 230 Y C 0.392 176.356 175.900 0.106 0.000 1.110 230 Y CA -0.356 57.818 58.100 0.123 0.000 1.251 230 Y CB 0.301 38.919 38.460 0.262 0.000 1.178 230 Y HN -0.342 nan 8.280 nan 0.000 0.540 231 K N 0.753 121.244 120.400 0.151 0.000 2.412 231 K HA 0.190 4.510 4.320 0.000 0.000 0.284 231 K C 0.975 177.638 176.600 0.106 0.000 1.046 231 K CA 0.911 57.272 56.287 0.123 0.000 0.999 231 K CB 0.202 32.742 32.500 0.066 0.000 0.941 231 K HN 0.695 nan 8.250 nan 0.000 0.474 232 G N 3.268 112.134 108.800 0.110 0.000 2.176 232 G HA2 -0.286 3.674 3.960 0.000 0.000 0.252 232 G HA3 -0.286 3.674 3.960 0.000 0.000 0.252 232 G C 0.400 175.356 174.900 0.095 0.000 1.024 232 G CA 0.630 45.780 45.100 0.083 0.000 0.755 232 G HN 0.746 nan 8.290 nan 0.000 0.507 233 Q N -1.697 118.186 119.800 0.139 0.000 2.563 233 Q HA 0.278 4.618 4.340 0.000 0.000 0.236 233 Q C 1.209 177.285 176.000 0.126 0.000 0.792 233 Q CA 0.144 56.037 55.803 0.150 0.000 0.960 233 Q CB 0.959 29.822 28.738 0.209 0.000 1.304 233 Q HN 0.508 nan 8.270 nan 0.000 0.566 234 R N 0.409 120.987 120.500 0.130 0.000 2.774 234 R HA 0.419 4.759 4.340 0.000 0.000 0.272 234 R C -1.592 174.679 176.300 -0.047 0.000 1.000 234 R CA -0.765 55.304 56.100 -0.053 0.000 0.906 234 R CB 1.644 31.705 30.300 -0.398 0.000 1.227 234 R HN -0.031 nan 8.270 nan 0.000 0.468 235 D N 1.185 121.477 120.400 -0.180 0.000 2.185 235 D HA 0.404 5.044 4.640 0.000 0.000 0.247 235 D C -0.771 175.308 176.300 -0.369 0.000 1.027 235 D CA -0.047 53.888 54.000 -0.108 0.000 0.861 235 D CB 1.472 42.243 40.800 -0.048 0.000 1.202 235 D HN 0.133 nan 8.370 nan 0.000 0.453 236 F N 0.659 120.604 119.950 -0.009 0.000 2.522 236 F HA 0.367 4.894 4.527 0.000 0.000 0.324 236 F C 0.707 176.514 175.800 0.011 0.000 1.077 236 F CA -0.572 57.416 58.000 -0.021 0.000 0.944 236 F CB 1.893 40.874 39.000 -0.032 0.000 1.175 236 F HN 0.231 nan 8.300 nan 0.000 0.468 237 Q N 0.040 119.937 119.800 0.163 0.000 2.814 237 Q HA 0.361 4.701 4.340 0.000 0.000 0.322 237 Q C -1.620 174.487 176.000 0.179 0.000 0.888 237 Q CA -1.290 54.602 55.803 0.148 0.000 0.768 237 Q CB 1.795 30.586 28.738 0.088 0.000 1.443 237 Q HN 0.615 nan 8.270 nan 0.000 0.497 238 Q N 0.774 120.696 119.800 0.203 0.000 2.340 238 Q HA 0.324 4.664 4.340 0.000 0.000 0.249 238 Q C -0.587 175.479 176.000 0.109 0.000 0.957 238 Q CA -0.437 55.499 55.803 0.222 0.000 0.882 238 Q CB 0.700 29.532 28.738 0.156 0.000 1.235 238 Q HN 0.589 nan 8.270 nan 0.000 0.439 239 I N 6.207 126.822 120.570 0.075 0.000 2.828 239 I HA -0.066 4.104 4.170 0.000 0.000 0.292 239 I C -1.948 174.185 176.117 0.026 0.000 1.206 239 I CA -1.214 60.106 61.300 0.033 0.000 1.420 239 I CB 0.098 38.088 38.000 -0.016 0.000 1.368 239 I HN 0.436 nan 8.210 nan 0.000 0.556 240 P HA 0.183 nan 4.420 nan 0.000 0.266 240 P C -0.821 176.471 177.300 -0.013 0.000 1.215 240 P CA 0.206 63.308 63.100 0.002 0.000 0.763 240 P CB 0.416 32.104 31.700 -0.019 0.000 0.806 241 L N 2.506 123.733 121.223 0.007 0.000 2.346 241 L HA 0.616 4.956 4.340 0.000 0.000 0.276 241 L C 0.453 177.314 176.870 -0.015 0.000 1.006 241 L CA -1.173 53.670 54.840 0.005 0.000 0.817 241 L CB 2.016 44.150 42.059 0.125 0.000 1.272 241 L HN 0.252 nan 8.230 nan 0.000 0.421 242 A N 3.254 126.024 122.820 -0.083 0.000 2.671 242 A HA 0.744 5.064 4.320 0.000 0.000 0.306 242 A C 0.032 177.632 177.584 0.027 0.000 1.473 242 A CA 0.134 52.168 52.037 -0.006 0.000 1.155 242 A CB -0.346 18.598 19.000 -0.093 0.000 1.123 242 A HN 0.812 nan 8.150 nan 0.000 0.545 243 A N 1.863 124.666 122.820 -0.029 0.000 2.581 243 A HA 0.722 5.042 4.320 0.000 0.000 0.294 243 A C -0.542 176.909 177.584 -0.221 0.000 1.035 243 A CA -0.442 51.462 52.037 -0.220 0.000 0.684 243 A CB 0.682 19.363 19.000 -0.533 0.000 1.282 243 A HN 0.676 nan 8.150 nan 0.000 0.417 244 T N 1.368 115.751 114.554 -0.286 0.000 2.881 244 T HA 0.453 4.803 4.350 0.000 0.000 0.291 244 T C -0.139 174.392 174.700 -0.282 0.000 0.990 244 T CA -0.407 61.568 62.100 -0.208 0.000 0.976 244 T CB 1.132 69.939 68.868 -0.101 0.000 0.970 244 T HN 0.736 nan 8.240 nan 0.000 0.438 245 R N 2.431 122.755 120.500 -0.293 0.000 2.442 245 R HA 0.229 4.569 4.340 0.000 0.000 0.291 245 R C 0.813 177.023 176.300 -0.151 0.000 1.069 245 R CA -0.267 55.655 56.100 -0.297 0.000 1.022 245 R CB 0.387 30.484 30.300 -0.338 0.000 0.976 245 R HN 0.394 nan 8.270 nan 0.000 0.443 246 R N 1.072 121.536 120.500 -0.060 0.000 2.225 246 R HA 0.126 4.466 4.340 0.000 0.000 0.194 246 R C 0.278 176.571 176.300 -0.012 0.000 0.957 246 R CA 0.676 56.781 56.100 0.009 0.000 1.042 246 R CB 0.280 30.651 30.300 0.119 0.000 1.004 246 R HN 0.751 nan 8.270 nan 0.000 0.509 247 S N -1.436 114.260 115.700 -0.007 0.000 2.643 247 S HA 0.375 4.845 4.470 0.000 0.000 0.270 247 S C -2.600 171.966 174.600 -0.056 0.000 1.166 247 S CA -1.054 57.132 58.200 -0.024 0.000 0.815 247 S CB 2.067 65.272 63.200 0.008 0.000 1.139 247 S HN -0.261 nan 8.310 nan 0.000 0.472 248 P HA -0.008 nan 4.420 nan 0.000 0.220 248 P C 0.983 178.257 177.300 -0.044 0.000 1.144 248 P CA 1.878 64.935 63.100 -0.070 0.000 0.800 248 P CB -0.133 31.545 31.700 -0.037 0.000 0.772 249 T N -6.948 107.614 114.554 0.013 0.000 3.091 249 T HA 0.289 4.640 4.350 0.000 0.000 0.277 249 T C -0.202 174.571 174.700 0.121 0.000 0.996 249 T CA -0.349 61.782 62.100 0.053 0.000 0.897 249 T CB -0.542 68.374 68.868 0.080 0.000 1.109 249 T HN -0.123 nan 8.240 nan 0.000 0.534 250 F N 1.455 121.346 119.950 -0.099 0.000 2.557 250 F HA 0.651 5.178 4.527 0.000 0.000 0.316 250 F C -1.518 174.153 175.800 -0.215 0.000 1.141 250 F CA -1.029 56.906 58.000 -0.108 0.000 0.922 250 F CB 1.981 40.936 39.000 -0.076 0.000 1.194 250 F HN -0.125 nan 8.300 nan 0.000 0.443 251 V N 5.066 124.545 119.914 -0.726 0.000 2.448 251 V HA 0.291 4.411 4.120 0.000 0.000 0.295 251 V C -0.470 174.978 176.094 -1.076 0.000 1.025 251 V CA -0.817 60.974 62.300 -0.849 0.000 0.859 251 V CB 1.700 32.852 31.823 -1.118 0.000 0.988 251 V HN 0.722 nan 8.190 nan 0.000 0.431 252 E N 4.569 124.414 120.200 -0.591 0.000 2.001 252 E HA 0.184 4.534 4.350 0.000 0.000 0.279 252 E C -1.113 175.235 176.600 -0.420 0.000 1.045 252 E CA -0.590 55.619 56.400 -0.319 0.000 0.833 252 E CB 0.478 30.204 29.700 0.043 0.000 1.077 252 E HN 0.630 nan 8.360 nan 0.000 0.397 253 W N 3.230 124.398 121.300 -0.220 0.000 2.216 253 W HA 0.120 4.780 4.660 0.000 0.000 0.326 253 W C 0.611 177.136 176.519 0.010 0.000 1.319 253 W CA -0.487 56.712 57.345 -0.243 0.000 1.213 253 W CB 0.865 29.924 29.460 -0.667 0.000 1.171 253 W HN 0.344 nan 8.180 nan 0.000 0.557 254 S N 1.811 117.698 115.700 0.312 0.000 2.608 254 S HA 0.572 5.042 4.470 0.000 0.000 0.261 254 S C 0.232 175.278 174.600 0.744 0.000 1.314 254 S CA -0.510 57.963 58.200 0.455 0.000 0.992 254 S CB 1.054 64.539 63.200 0.474 0.000 0.935 254 S HN 0.526 nan 8.310 nan 0.000 0.564 255 S N -0.447 115.636 115.700 0.637 0.000 2.757 255 S HA 0.694 5.164 4.470 0.000 0.000 0.285 255 S C 0.771 175.590 174.600 0.366 0.000 1.196 255 S CA -0.336 58.192 58.200 0.547 0.000 0.856 255 S CB 0.549 63.988 63.200 0.399 0.000 1.212 255 S HN 0.706 nan 8.310 nan 0.000 0.516 256 A N 1.592 124.520 122.820 0.180 0.000 1.917 256 A HA -0.162 4.158 4.320 0.000 0.000 0.219 256 A C 2.014 179.652 177.584 0.089 0.000 1.182 256 A CA 2.081 54.175 52.037 0.095 0.000 0.633 256 A CB -1.571 17.453 19.000 0.039 0.000 0.819 256 A HN 0.862 nan 8.150 nan 0.000 0.448 257 N N -0.392 118.367 118.700 0.097 0.000 2.132 257 N HA -0.182 4.558 4.740 0.000 0.000 0.191 257 N C 1.558 177.098 175.510 0.050 0.000 1.015 257 N CA 2.199 55.280 53.050 0.052 0.000 0.864 257 N CB -0.273 38.256 38.487 0.070 0.000 1.006 257 N HN 0.478 nan 8.380 nan 0.000 0.430 258 T N 0.355 114.989 114.554 0.133 0.000 2.821 258 T HA -0.044 4.306 4.350 0.000 0.000 0.267 258 T C 2.052 176.789 174.700 0.061 0.000 1.046 258 T CA 1.079 63.258 62.100 0.133 0.000 1.139 258 T CB -0.148 68.879 68.868 0.266 0.000 0.871 258 T HN 0.067 nan 8.240 nan 0.000 0.454 259 V N -0.458 119.475 119.914 0.031 0.000 2.379 259 V HA 0.177 4.297 4.120 0.000 0.000 0.245 259 V C 0.426 176.473 176.094 -0.078 0.000 1.044 259 V CA 0.899 63.132 62.300 -0.110 0.000 1.036 259 V CB -0.334 31.374 31.823 -0.192 0.000 0.664 259 V HN 0.477 nan 8.190 nan 0.000 0.453 260 F N 0.987 120.808 119.950 -0.215 0.000 2.651 260 F HA 0.365 4.893 4.527 0.000 0.000 0.329 260 F C 0.271 175.945 175.800 -0.210 0.000 1.186 260 F CA -1.688 56.153 58.000 -0.265 0.000 1.046 260 F CB 1.347 40.138 39.000 -0.348 0.000 1.296 260 F HN 0.145 nan 8.300 nan 0.000 0.497 261 D N 4.766 124.682 120.400 -0.808 0.000 2.350 261 D HA -0.080 4.560 4.640 0.000 0.000 0.216 261 D C 1.254 177.250 176.300 -0.506 0.000 0.968 261 D CA 1.304 54.992 54.000 -0.520 0.000 0.894 261 D CB 0.019 40.585 40.800 -0.389 0.000 0.909 261 D HN 0.692 nan 8.370 nan 0.000 0.520 262 L N -2.053 118.652 121.223 -0.864 0.000 4.759 262 L HA -0.224 4.116 4.340 0.000 0.000 0.419 262 L C -0.304 176.506 176.870 -0.099 0.000 1.093 262 L CA 0.392 55.027 54.840 -0.342 0.000 1.037 262 L CB -1.283 40.753 42.059 -0.038 0.000 2.095 262 L HN 0.222 nan 8.230 nan 0.000 0.739 263 Q N 1.029 120.678 119.800 -0.251 0.000 2.314 263 Q HA 0.233 4.573 4.340 0.000 0.000 0.258 263 Q C 0.335 176.391 176.000 0.095 0.000 0.954 263 Q CA -0.176 55.579 55.803 -0.081 0.000 0.890 263 Q CB 0.688 29.342 28.738 -0.140 0.000 1.210 263 Q HN 0.114 nan 8.270 nan 0.000 0.410 264 N N 2.125 120.883 118.700 0.098 0.000 2.356 264 N HA 0.000 4.740 4.740 0.000 0.000 0.252 264 N C -0.276 175.293 175.510 0.097 0.000 1.241 264 N CA 0.584 53.688 53.050 0.090 0.000 0.861 264 N CB 0.489 38.935 38.487 -0.068 0.000 1.075 264 N HN 0.256 nan 8.380 nan 0.000 0.461 265 R N 1.779 122.364 120.500 0.142 0.000 2.807 265 R HA 0.513 4.853 4.340 0.000 0.000 0.276 265 R C -2.406 173.927 176.300 0.055 0.000 0.979 265 R CA -1.664 54.497 56.100 0.101 0.000 0.928 265 R CB 1.488 31.875 30.300 0.144 0.000 1.191 265 R HN 0.348 nan 8.270 nan 0.000 0.471 266 P HA 0.116 nan 4.420 nan 0.000 0.272 266 P C -1.267 176.075 177.300 0.069 0.000 1.223 266 P CA -0.262 62.897 63.100 0.098 0.000 0.784 266 P CB 0.632 32.443 31.700 0.185 0.000 0.923 267 N N -1.581 117.153 118.700 0.057 0.000 2.972 267 N HA 0.244 4.984 4.740 0.000 0.000 0.262 267 N C 0.371 175.896 175.510 0.026 0.000 1.478 267 N CA -0.763 52.306 53.050 0.031 0.000 0.841 267 N CB -0.507 37.985 38.487 0.008 0.000 1.512 267 N HN 0.046 nan 8.380 nan 0.000 0.548 268 T N -0.911 113.650 114.554 0.012 0.000 2.759 268 T HA -0.102 4.248 4.350 0.000 0.000 0.269 268 T C 0.279 174.983 174.700 0.005 0.000 1.042 268 T CA 1.660 63.765 62.100 0.008 0.000 1.140 268 T CB -0.401 68.467 68.868 0.001 0.000 0.864 268 T HN 0.529 nan 8.240 nan 0.000 0.455 269 D N 0.909 121.307 120.400 -0.004 0.000 2.348 269 D HA 0.260 4.900 4.640 0.000 0.000 0.211 269 D C 0.667 176.967 176.300 0.000 0.000 0.998 269 D CA 0.268 54.263 54.000 -0.009 0.000 0.873 269 D CB 0.206 40.990 40.800 -0.026 0.000 0.925 269 D HN 0.394 nan 8.370 nan 0.000 0.524 270 A N 1.160 123.989 122.820 0.014 0.000 3.266 270 A HA 0.340 4.660 4.320 0.000 0.000 0.310 270 A C -1.930 175.694 177.584 0.068 0.000 1.066 270 A CA -0.877 51.181 52.037 0.035 0.000 0.839 270 A CB 1.041 20.059 19.000 0.030 0.000 1.192 270 A HN -0.178 nan 8.150 nan 0.000 0.496 271 P HA -0.132 nan 4.420 nan 0.000 0.220 271 P C 0.500 177.919 177.300 0.198 0.000 1.148 271 P CA 1.331 64.492 63.100 0.102 0.000 0.803 271 P CB 0.336 32.072 31.700 0.061 0.000 0.782 272 E N -0.592 119.730 120.200 0.203 0.000 2.569 272 E HA 0.162 4.512 4.350 0.000 0.000 0.205 272 E C 0.169 176.901 176.600 0.222 0.000 1.006 272 E CA -0.128 56.486 56.400 0.358 0.000 0.985 272 E CB 0.386 30.231 29.700 0.243 0.000 1.060 272 E HN 0.418 nan 8.360 nan 0.000 0.460 273 E N 0.997 121.263 120.200 0.111 0.000 2.222 273 E HA 0.486 4.836 4.350 0.000 0.000 0.267 273 E C -0.384 176.194 176.600 -0.038 0.000 0.963 273 E CA -0.728 55.690 56.400 0.031 0.000 0.837 273 E CB 1.620 31.366 29.700 0.078 0.000 1.183 273 E HN -0.075 nan 8.360 nan 0.000 0.403 274 R N 1.746 122.220 120.500 -0.043 0.000 2.502 274 R HA 0.435 4.775 4.340 0.000 0.000 0.298 274 R C -1.645 174.722 176.300 0.111 0.000 1.018 274 R CA -0.587 55.470 56.100 -0.073 0.000 0.899 274 R CB 1.205 31.344 30.300 -0.269 0.000 1.181 274 R HN 0.394 nan 8.270 nan 0.000 0.444 275 F N 2.320 122.246 119.950 -0.039 0.000 2.604 275 F HA 0.441 4.968 4.527 0.000 0.000 0.316 275 F C -1.756 173.983 175.800 -0.101 0.000 1.136 275 F CA -0.618 57.362 58.000 -0.034 0.000 0.989 275 F CB 1.930 40.985 39.000 0.092 0.000 1.258 275 F HN 0.409 nan 8.300 nan 0.000 0.451 276 N N 4.514 122.525 118.700 -1.147 0.000 2.258 276 N HA 0.632 5.372 4.740 0.000 0.000 0.299 276 N C -2.056 172.416 175.510 -1.729 0.000 1.047 276 N CA -0.664 51.669 53.050 -1.195 0.000 0.814 276 N CB 2.383 40.375 38.487 -0.825 0.000 1.413 276 N HN 0.587 nan 8.380 nan 0.000 0.478 277 L N 2.534 122.966 121.223 -1.319 0.000 2.296 277 L HA 0.632 4.972 4.340 0.000 0.000 0.286 277 L C -1.709 174.560 176.870 -1.002 0.000 1.023 277 L CA -0.353 53.953 54.840 -0.890 0.000 0.812 277 L CB 0.132 42.047 42.059 -0.241 0.000 1.223 277 L HN 0.469 nan 8.230 nan 0.000 0.421 278 F N 6.432 126.126 119.950 -0.426 0.000 2.359 278 F HA 0.562 5.089 4.527 0.000 0.000 0.369 278 F C -2.146 173.603 175.800 -0.086 0.000 1.084 278 F CA -2.035 55.821 58.000 -0.239 0.000 1.096 278 F CB 0.755 39.611 39.000 -0.241 0.000 1.335 278 F HN 0.414 nan 8.300 nan 0.000 0.457 279 P HA 0.307 nan 4.420 nan 0.000 0.276 279 P C -0.045 177.311 177.300 0.094 0.000 1.261 279 P CA -0.241 62.900 63.100 0.068 0.000 0.800 279 P CB 1.012 32.731 31.700 0.032 0.000 1.066 280 A N -0.883 121.975 122.820 0.063 0.000 2.745 280 A HA -0.120 4.200 4.320 0.000 0.000 0.296 280 A C -0.014 177.599 177.584 0.047 0.000 1.500 280 A CA 0.715 52.781 52.037 0.048 0.000 0.766 280 A CB -2.398 16.632 19.000 0.050 0.000 1.030 280 A HN 0.256 nan 8.150 nan 0.000 0.489 281 V N -0.048 119.909 119.914 0.071 0.000 2.376 281 V HA 0.643 4.763 4.120 0.000 0.000 0.287 281 V C 0.656 176.744 176.094 -0.010 0.000 1.015 281 V CA -0.300 62.037 62.300 0.063 0.000 0.834 281 V CB 1.439 33.399 31.823 0.227 0.000 1.001 281 V HN 1.427 nan 8.190 nan 0.000 0.428 282 A N 4.413 127.189 122.820 -0.074 0.000 2.404 282 A HA 0.419 4.739 4.320 0.000 0.000 0.273 282 A C 0.181 177.717 177.584 -0.080 0.000 1.144 282 A CA -0.145 51.833 52.037 -0.098 0.000 0.806 282 A CB -0.113 18.849 19.000 -0.063 0.000 1.080 282 A HN 0.868 nan 8.150 nan 0.000 0.509 283 C N 2.946 122.183 119.300 -0.105 0.000 2.394 283 C HA 0.349 4.809 4.460 0.000 0.000 0.362 283 C C 1.352 176.304 174.990 -0.063 0.000 1.268 283 C CA -0.271 58.678 59.018 -0.113 0.000 1.828 283 C CB -0.407 27.264 27.740 -0.116 0.000 2.442 283 C HN 1.021 nan 8.230 nan 0.000 0.549 284 E N 0.881 121.080 120.200 -0.001 0.000 2.290 284 E HA 0.131 4.481 4.350 0.000 0.000 0.199 284 E C 0.151 176.758 176.600 0.012 0.000 0.912 284 E CA 0.410 56.836 56.400 0.042 0.000 0.924 284 E CB 0.500 30.293 29.700 0.155 0.000 0.901 284 E HN 0.634 nan 8.360 nan 0.000 0.487 285 R N 0.415 120.932 120.500 0.028 0.000 2.594 285 R HA 0.282 4.622 4.340 0.000 0.000 0.265 285 R C -1.194 175.099 176.300 -0.012 0.000 1.070 285 R CA -0.572 55.525 56.100 -0.006 0.000 0.909 285 R CB 2.287 32.571 30.300 -0.027 0.000 1.243 285 R HN -0.091 nan 8.270 nan 0.000 0.455 286 V N -0.384 119.506 119.914 -0.040 0.000 2.539 286 V HA 0.600 4.720 4.120 0.000 0.000 0.292 286 V C 0.030 176.090 176.094 -0.056 0.000 1.045 286 V CA -0.791 61.455 62.300 -0.091 0.000 0.945 286 V CB 1.690 33.415 31.823 -0.163 0.000 0.993 286 V HN 0.421 nan 8.190 nan 0.000 0.464 287 V N 5.596 125.457 119.914 -0.088 0.000 2.385 287 V HA 0.439 4.559 4.120 0.000 0.000 0.269 287 V C 0.645 176.723 176.094 -0.027 0.000 1.043 287 V CA -0.422 61.847 62.300 -0.050 0.000 0.906 287 V CB 0.501 32.304 31.823 -0.033 0.000 0.995 287 V HN 0.940 nan 8.190 nan 0.000 0.467 288 R N 3.732 124.236 120.500 0.006 0.000 2.459 288 R HA 0.321 4.661 4.340 0.000 0.000 0.281 288 R C 0.358 176.686 176.300 0.047 0.000 1.050 288 R CA -0.651 55.509 56.100 0.100 0.000 1.055 288 R CB 0.670 31.023 30.300 0.088 0.000 1.045 288 R HN 0.855 nan 8.270 nan 0.000 0.495 289 N N 1.304 120.037 118.700 0.055 0.000 2.326 289 N HA -0.021 4.719 4.740 0.000 0.000 0.239 289 N C 0.526 176.020 175.510 -0.027 0.000 1.301 289 N CA 0.187 53.238 53.050 0.002 0.000 0.909 289 N CB 0.478 38.961 38.487 -0.007 0.000 1.156 289 N HN 0.597 nan 8.380 nan 0.000 0.462 290 A N 0.468 123.268 122.820 -0.034 0.000 1.972 290 A HA -0.040 4.280 4.320 0.000 0.000 0.219 290 A C 2.179 179.726 177.584 -0.062 0.000 1.169 290 A CA 0.831 52.843 52.037 -0.042 0.000 0.635 290 A CB -0.742 18.238 19.000 -0.033 0.000 0.810 290 A HN 0.661 nan 8.150 nan 0.000 0.446 291 L N -0.869 120.306 121.223 -0.081 0.000 2.552 291 L HA -0.038 4.302 4.340 0.000 0.000 0.227 291 L C 0.011 176.767 176.870 -0.189 0.000 1.146 291 L CA 0.020 54.794 54.840 -0.110 0.000 0.858 291 L CB -0.424 41.573 42.059 -0.103 0.000 0.969 291 L HN 0.407 nan 8.230 nan 0.000 0.451 292 N N 0.224 118.789 118.700 -0.225 0.000 2.725 292 N HA -0.178 4.562 4.740 0.000 0.000 0.251 292 N C 0.794 175.680 175.510 -1.040 0.000 1.031 292 N CA 1.053 53.833 53.050 -0.451 0.000 0.720 292 N CB -1.197 37.194 38.487 -0.159 0.000 0.930 292 N HN 0.529 nan 8.380 nan 0.000 0.543 293 S N -2.230 112.981 115.700 -0.815 0.000 2.687 293 S HA 0.270 4.740 4.470 0.000 0.000 0.247 293 S C 0.238 174.560 174.600 -0.463 0.000 1.050 293 S CA -0.260 57.528 58.200 -0.686 0.000 1.063 293 S CB 1.583 64.611 63.200 -0.286 0.000 1.039 293 S HN 0.391 nan 8.310 nan 0.000 0.580 294 E N 0.290 120.324 120.200 -0.277 0.000 2.375 294 E HA 0.448 4.798 4.350 0.000 0.000 0.280 294 E C -1.730 175.038 176.600 0.279 0.000 0.972 294 E CA -0.839 55.632 56.400 0.118 0.000 0.782 294 E CB 1.355 31.105 29.700 0.082 0.000 1.229 294 E HN 0.080 nan 8.360 nan 0.000 0.439 295 I N 3.255 123.967 120.570 0.237 0.000 2.396 295 I HA 0.151 4.321 4.170 0.000 0.000 0.292 295 I C 0.883 176.938 176.117 -0.102 0.000 0.999 295 I CA 0.035 61.316 61.300 -0.032 0.000 1.310 295 I CB 1.417 39.179 38.000 -0.397 0.000 1.404 295 I HN 0.693 nan 8.210 nan 0.000 0.496 296 E N 2.883 123.021 120.200 -0.104 0.000 2.340 296 E HA 0.089 4.439 4.350 0.000 0.000 0.198 296 E C 0.226 176.860 176.600 0.058 0.000 0.961 296 E CA 0.366 56.777 56.400 0.018 0.000 0.905 296 E CB 0.600 30.318 29.700 0.031 0.000 0.884 296 E HN 0.705 nan 8.360 nan 0.000 0.491 297 S N -0.426 115.226 115.700 -0.080 0.000 2.595 297 S HA 0.453 4.923 4.470 0.000 0.000 0.270 297 S C -1.593 172.990 174.600 -0.028 0.000 1.145 297 S CA -1.049 57.194 58.200 0.071 0.000 0.825 297 S CB 1.144 64.407 63.200 0.106 0.000 1.107 297 S HN 0.009 nan 8.310 nan 0.000 0.461 298 L N 2.232 123.546 121.223 0.150 0.000 2.305 298 L HA 0.641 4.981 4.340 0.000 0.000 0.284 298 L C -0.645 176.235 176.870 0.017 0.000 1.013 298 L CA -0.132 54.745 54.840 0.062 0.000 0.819 298 L CB 0.978 43.105 42.059 0.113 0.000 1.227 298 L HN 1.000 nan 8.230 nan 0.000 0.417 299 H N 5.487 124.517 119.070 -0.066 0.000 2.668 299 H HA 0.594 5.150 4.556 0.000 0.000 0.303 299 H C -0.424 174.852 175.328 -0.087 0.000 1.074 299 H CA -0.214 55.799 56.048 -0.058 0.000 1.406 299 H CB 0.652 30.386 29.762 -0.048 0.000 1.442 299 H HN 0.664 nan 8.280 nan 0.000 0.482 300 I N 1.686 121.941 120.570 -0.523 0.000 2.957 300 I HA 0.437 4.607 4.170 0.000 0.000 0.310 300 I C -1.182 174.788 176.117 -0.245 0.000 1.063 300 I CA -1.052 60.046 61.300 -0.336 0.000 1.033 300 I CB 2.573 40.331 38.000 -0.404 0.000 1.230 300 I HN 0.697 nan 8.210 nan 0.000 0.447 301 H N 2.655 121.626 119.070 -0.166 0.000 2.970 301 H HA 0.227 4.783 4.556 0.000 0.000 0.315 301 H C -1.482 173.848 175.328 0.003 0.000 0.992 301 H CA -0.720 55.282 56.048 -0.077 0.000 1.363 301 H CB 1.373 31.125 29.762 -0.017 0.000 1.532 301 H HN 0.767 nan 8.280 nan 0.000 0.514 302 D N 5.745 126.237 120.400 0.153 0.000 2.346 302 D HA -0.008 4.632 4.640 0.000 0.000 0.260 302 D C 1.234 177.484 176.300 -0.083 0.000 1.252 302 D CA -0.025 54.018 54.000 0.071 0.000 0.895 302 D CB 0.941 41.860 40.800 0.199 0.000 1.097 302 D HN 0.684 nan 8.370 nan 0.000 0.489 303 L N 4.034 125.152 121.223 -0.174 0.000 2.376 303 L HA -0.101 4.239 4.340 0.000 0.000 0.219 303 L C 1.825 178.669 176.870 -0.044 0.000 1.133 303 L CA 0.073 54.783 54.840 -0.217 0.000 0.816 303 L CB -0.137 41.854 42.059 -0.113 0.000 0.933 303 L HN 0.470 nan 8.230 nan 0.000 0.449 304 I N -0.076 120.502 120.570 0.013 0.000 2.270 304 I HA -0.139 4.031 4.170 0.000 0.000 0.239 304 I C 2.743 178.893 176.117 0.055 0.000 1.080 304 I CA 1.657 62.980 61.300 0.039 0.000 1.383 304 I CB -1.261 36.770 38.000 0.052 0.000 1.097 304 I HN 0.257 nan 8.210 nan 0.000 0.420 305 S N 0.418 116.165 115.700 0.078 0.000 2.489 305 S HA 0.111 4.581 4.470 0.000 0.000 0.228 305 S C 1.830 176.487 174.600 0.094 0.000 0.995 305 S CA 0.718 58.971 58.200 0.088 0.000 0.934 305 S CB -0.158 63.111 63.200 0.116 0.000 0.771 305 S HN 0.632 nan 8.310 nan 0.000 0.522 306 G N 0.938 109.816 108.800 0.131 0.000 2.179 306 G HA2 -0.216 3.744 3.960 0.000 0.000 0.260 306 G HA3 -0.216 3.744 3.960 0.000 0.000 0.260 306 G C -0.416 174.579 174.900 0.159 0.000 0.977 306 G CA 0.244 45.470 45.100 0.210 0.000 0.641 306 G HN 0.574 nan 8.290 nan 0.000 0.533 307 D N 0.545 121.003 120.400 0.097 0.000 2.302 307 D HA 0.520 5.160 4.640 0.000 0.000 0.248 307 D C 0.902 177.094 176.300 -0.182 0.000 1.094 307 D CA 0.049 53.983 54.000 -0.110 0.000 0.897 307 D CB 0.643 41.337 40.800 -0.176 0.000 1.200 307 D HN 0.373 nan 8.370 nan 0.000 0.429 308 R N 1.617 121.864 120.500 -0.421 0.000 2.514 308 R HA 0.593 4.933 4.340 0.000 0.000 0.301 308 R C -0.654 175.245 176.300 -0.668 0.000 0.962 308 R CA -0.627 55.230 56.100 -0.405 0.000 0.882 308 R CB 1.214 31.356 30.300 -0.263 0.000 1.143 308 R HN 0.299 nan 8.270 nan 0.000 0.452 309 F N -0.012 119.770 119.950 -0.280 0.000 2.640 309 F HA 0.347 4.874 4.527 0.000 0.000 0.324 309 F C 0.179 175.844 175.800 -0.225 0.000 1.077 309 F CA -0.982 56.903 58.000 -0.192 0.000 0.965 309 F CB 1.806 40.709 39.000 -0.162 0.000 1.351 309 F HN 0.204 nan 8.300 nan 0.000 0.487 310 E N 2.344 122.639 120.200 0.158 0.000 2.158 310 E HA 0.419 4.769 4.350 0.000 0.000 0.271 310 E C -1.098 175.561 176.600 0.099 0.000 0.911 310 E CA -0.536 55.929 56.400 0.109 0.000 0.767 310 E CB 2.371 32.148 29.700 0.127 0.000 1.120 310 E HN 0.240 nan 8.360 nan 0.000 0.405 311 I N 2.590 123.195 120.570 0.058 0.000 2.377 311 I HA 0.272 4.442 4.170 0.000 0.000 0.293 311 I C 0.214 176.445 176.117 0.190 0.000 0.987 311 I CA -0.898 60.455 61.300 0.088 0.000 1.185 311 I CB 1.306 39.300 38.000 -0.011 0.000 1.341 311 I HN 0.329 nan 8.210 nan 0.000 0.455 312 K N 4.697 125.206 120.400 0.182 0.000 2.138 312 K HA 0.830 5.150 4.320 0.000 0.000 0.263 312 K C -0.981 175.686 176.600 0.111 0.000 0.965 312 K CA -0.291 56.117 56.287 0.202 0.000 0.868 312 K CB 1.687 34.269 32.500 0.137 0.000 1.083 312 K HN 0.812 nan 8.250 nan 0.000 0.443 313 A N 2.610 125.412 122.820 -0.031 0.000 2.609 313 A HA 0.354 4.674 4.320 0.000 0.000 0.291 313 A C -0.535 176.947 177.584 -0.170 0.000 1.096 313 A CA -0.686 51.208 52.037 -0.239 0.000 0.684 313 A CB 1.020 19.668 19.000 -0.587 0.000 1.282 313 A HN 0.763 nan 8.150 nan 0.000 0.412 314 D N -0.478 119.874 120.400 -0.080 0.000 2.149 314 D HA 0.085 4.725 4.640 0.000 0.000 0.201 314 D C 0.395 176.644 176.300 -0.084 0.000 0.972 314 D CA 1.838 55.867 54.000 0.048 0.000 0.835 314 D CB 0.133 41.019 40.800 0.143 0.000 0.966 314 D HN 0.249 nan 8.370 nan 0.000 0.476 315 V N 0.528 120.234 119.914 -0.346 0.000 2.638 315 V HA 0.281 4.401 4.120 0.000 0.000 0.306 315 V C -1.267 174.606 176.094 -0.370 0.000 1.052 315 V CA -0.900 61.198 62.300 -0.337 0.000 0.885 315 V CB 1.864 33.349 31.823 -0.564 0.000 0.999 315 V HN -0.072 nan 8.190 nan 0.000 0.424 316 Y N 2.822 123.115 120.300 -0.012 0.000 2.341 316 Y HA 0.722 5.272 4.550 0.000 0.000 0.338 316 Y C -0.103 175.762 175.900 -0.058 0.000 0.965 316 Y CA -0.953 57.126 58.100 -0.036 0.000 1.108 316 Y CB 2.114 40.557 38.460 -0.027 0.000 1.180 316 Y HN 0.351 nan 8.280 nan 0.000 0.458 317 V N 5.371 125.253 119.914 -0.054 0.000 2.487 317 V HA 0.426 4.546 4.120 0.000 0.000 0.298 317 V C -0.555 175.399 176.094 -0.233 0.000 1.028 317 V CA -0.942 61.207 62.300 -0.252 0.000 0.860 317 V CB 1.901 33.351 31.823 -0.620 0.000 0.991 317 V HN 0.592 nan 8.190 nan 0.000 0.427 318 L N 5.037 126.114 121.223 -0.242 0.000 2.294 318 L HA 0.574 4.914 4.340 0.000 0.000 0.283 318 L C 0.191 176.942 176.870 -0.199 0.000 1.015 318 L CA -0.219 54.502 54.840 -0.199 0.000 0.831 318 L CB 1.725 43.648 42.059 -0.227 0.000 1.217 318 L HN 0.816 nan 8.230 nan 0.000 0.420 319 T N -1.588 112.884 114.554 -0.137 0.000 3.624 319 T HA 0.349 4.699 4.350 0.000 0.000 0.244 319 T C 0.634 175.328 174.700 -0.009 0.000 1.063 319 T CA -0.163 61.898 62.100 -0.064 0.000 1.252 319 T CB 1.035 69.862 68.868 -0.068 0.000 1.021 319 T HN 0.527 nan 8.240 nan 0.000 0.590 320 A N 0.814 123.637 122.820 0.004 0.000 2.307 320 A HA 0.768 5.088 4.320 0.000 0.000 0.218 320 A C 1.365 179.012 177.584 0.106 0.000 1.228 320 A CA 0.092 52.158 52.037 0.048 0.000 0.857 320 A CB -0.725 18.299 19.000 0.040 0.000 0.897 320 A HN 1.712 nan 8.150 nan 0.000 0.495 321 G N -2.650 106.210 108.800 0.100 0.000 2.619 321 G HA2 0.286 4.246 3.960 0.000 0.000 0.686 321 G HA3 0.286 4.246 3.960 0.000 0.000 0.686 321 G C 0.724 175.710 174.900 0.144 0.000 1.256 321 G CA -0.289 44.875 45.100 0.106 0.000 0.826 321 G HN 1.262 nan 8.290 nan 0.000 0.619 322 A N -0.243 122.656 122.820 0.131 0.000 1.940 322 A HA 0.159 4.479 4.320 0.000 0.000 0.219 322 A C 2.658 180.334 177.584 0.153 0.000 1.176 322 A CA 3.327 55.450 52.037 0.144 0.000 0.631 322 A CB -0.407 18.647 19.000 0.090 0.000 0.814 322 A HN 1.610 nan 8.150 nan 0.000 0.446 323 V N -0.988 118.967 119.914 0.069 0.000 2.302 323 V HA -0.212 3.908 4.120 0.000 0.000 0.243 323 V C 2.239 178.376 176.094 0.072 0.000 1.036 323 V CA 2.178 64.499 62.300 0.035 0.000 1.020 323 V CB -1.056 30.678 31.823 -0.149 0.000 0.657 323 V HN 0.742 nan 8.190 nan 0.000 0.453 324 H N -0.292 118.851 119.070 0.121 0.000 2.470 324 H HA -0.039 4.517 4.556 0.000 0.000 0.289 324 H C 2.279 177.598 175.328 -0.016 0.000 1.033 324 H CA 0.905 56.978 56.048 0.043 0.000 1.331 324 H CB 0.119 29.883 29.762 0.004 0.000 1.414 324 H HN 0.324 nan 8.280 nan 0.000 0.545 325 N N -0.083 118.686 118.700 0.115 0.000 2.104 325 N HA -0.123 4.618 4.740 0.000 0.000 0.190 325 N C 1.771 177.255 175.510 -0.043 0.000 1.024 325 N CA 1.738 54.780 53.050 -0.014 0.000 0.853 325 N CB -0.449 37.996 38.487 -0.070 0.000 1.008 325 N HN 0.313 nan 8.380 nan 0.000 0.424 326 T N 0.734 115.344 114.554 0.094 0.000 2.777 326 T HA -0.150 4.200 4.350 0.000 0.000 0.266 326 T C 1.839 176.411 174.700 -0.213 0.000 1.040 326 T CA 1.005 63.162 62.100 0.096 0.000 1.141 326 T CB -0.204 68.873 68.868 0.349 0.000 0.868 326 T HN 0.339 nan 8.240 nan 0.000 0.444 327 Q N 0.121 119.705 119.800 -0.361 0.000 2.061 327 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 327 Q C 2.302 178.029 176.000 -0.455 0.000 0.984 327 Q CA 1.299 56.577 55.803 -0.877 0.000 0.846 327 Q CB -0.249 28.282 28.738 -0.344 0.000 0.902 327 Q HN 0.347 nan 8.270 nan 0.000 0.421 328 L N 0.636 121.721 121.223 -0.230 0.000 1.994 328 L HA -0.159 4.181 4.340 0.000 0.000 0.208 328 L C 2.125 178.900 176.870 -0.158 0.000 1.071 328 L CA 1.568 56.309 54.840 -0.166 0.000 0.745 328 L CB -0.791 41.190 42.059 -0.131 0.000 0.892 328 L HN 0.318 nan 8.230 nan 0.000 0.431 329 L N -1.598 119.503 121.223 -0.203 0.000 1.990 329 L HA -0.285 4.055 4.340 0.000 0.000 0.213 329 L C 2.464 179.358 176.870 0.039 0.000 1.072 329 L CA 1.537 56.263 54.840 -0.189 0.000 0.755 329 L CB -0.843 40.989 42.059 -0.378 0.000 0.889 329 L HN 0.116 nan 8.230 nan 0.000 0.432 330 V N -0.133 119.734 119.914 -0.078 0.000 2.332 330 V HA -0.294 3.826 4.120 0.000 0.000 0.248 330 V C 2.138 178.209 176.094 -0.039 0.000 1.055 330 V CA 2.073 64.351 62.300 -0.037 0.000 1.038 330 V CB -0.737 31.008 31.823 -0.131 0.000 0.651 330 V HN 0.494 nan 8.190 nan 0.000 0.450 331 N N -0.064 118.570 118.700 -0.111 0.000 2.520 331 N HA -0.098 4.642 4.740 0.000 0.000 0.185 331 N C 1.572 177.067 175.510 -0.024 0.000 1.068 331 N CA 1.197 54.206 53.050 -0.068 0.000 0.911 331 N CB -0.054 38.380 38.487 -0.088 0.000 0.961 331 N HN 0.418 nan 8.380 nan 0.000 0.446 332 S N -1.749 113.970 115.700 0.032 0.000 2.540 332 S HA 0.337 4.807 4.470 0.000 0.000 0.218 332 S C 1.061 175.661 174.600 0.000 0.000 0.977 332 S CA 0.256 58.490 58.200 0.057 0.000 0.918 332 S CB 0.717 64.017 63.200 0.168 0.000 0.806 332 S HN 0.519 nan 8.310 nan 0.000 0.496 333 G N 1.065 109.868 108.800 0.005 0.000 2.159 333 G HA2 -0.211 3.749 3.960 0.000 0.000 0.227 333 G HA3 -0.211 3.749 3.960 0.000 0.000 0.227 333 G C -0.098 174.720 174.900 -0.136 0.000 0.986 333 G CA -0.595 44.452 45.100 -0.088 0.000 0.651 333 G HN 0.391 nan 8.290 nan 0.000 0.523 334 F N 0.837 120.762 119.950 -0.043 0.000 2.371 334 F HA 0.572 5.099 4.527 0.000 0.000 0.329 334 F C 1.642 177.451 175.800 0.016 0.000 1.107 334 F CA 0.878 58.865 58.000 -0.022 0.000 1.137 334 F CB 0.922 39.880 39.000 -0.071 0.000 1.214 334 F HN 0.734 nan 8.300 nan 0.000 0.536 335 G N 1.678 110.626 108.800 0.246 0.000 2.594 335 G HA2 -0.306 3.654 3.960 0.000 0.000 0.297 335 G HA3 -0.306 3.654 3.960 0.000 0.000 0.297 335 G C -0.656 174.322 174.900 0.130 0.000 1.273 335 G CA 0.241 45.450 45.100 0.181 0.000 0.974 335 G HN 0.851 nan 8.290 nan 0.000 0.552 336 Q N -1.011 118.872 119.800 0.138 0.000 2.285 336 Q HA 0.628 4.968 4.340 0.000 0.000 0.269 336 Q C -0.966 175.119 176.000 0.142 0.000 1.030 336 Q CA -0.984 54.881 55.803 0.103 0.000 0.788 336 Q CB 1.679 30.459 28.738 0.069 0.000 1.266 336 Q HN 0.832 nan 8.270 nan 0.000 0.438 337 L N 3.757 125.052 121.223 0.120 0.000 2.395 337 L HA 0.763 5.103 4.340 0.000 0.000 0.269 337 L C 0.403 177.361 176.870 0.147 0.000 1.133 337 L CA 1.861 56.799 54.840 0.163 0.000 0.812 337 L CB 1.038 43.169 42.059 0.119 0.000 1.125 337 L HN 0.874 nan 8.230 nan 0.000 0.452 338 G N 3.557 112.506 108.800 0.248 0.000 2.698 338 G HA2 -0.232 3.728 3.960 0.000 0.000 0.225 338 G HA3 -0.232 3.728 3.960 0.000 0.000 0.225 338 G C -0.486 174.346 174.900 -0.113 0.000 1.345 338 G CA -0.162 45.056 45.100 0.197 0.000 0.871 338 G HN 0.923 nan 8.290 nan 0.000 0.540 339 R N 0.829 121.039 120.500 -0.482 0.000 2.484 339 R HA 0.357 4.698 4.340 0.000 0.000 0.293 339 R C -1.941 173.925 176.300 -0.723 0.000 1.023 339 R CA -0.581 54.782 56.100 -1.228 0.000 1.037 339 R CB -0.044 29.781 30.300 -0.791 0.000 0.951 339 R HN 0.338 nan 8.270 nan 0.000 0.418 340 P HA -0.035 nan 4.420 nan 0.000 0.264 340 P C -1.280 175.864 177.300 -0.260 0.000 1.183 340 P CA 0.413 63.286 63.100 -0.378 0.000 0.763 340 P CB 0.418 31.920 31.700 -0.330 0.000 0.807 341 N N 2.957 121.564 118.700 -0.155 0.000 2.640 341 N HA 0.245 4.985 4.740 0.000 0.000 0.262 341 N C -2.077 173.392 175.510 -0.068 0.000 1.174 341 N CA -1.530 51.454 53.050 -0.110 0.000 0.791 341 N CB 0.930 39.358 38.487 -0.097 0.000 1.279 341 N HN 0.120 nan 8.380 nan 0.000 0.535 342 P HA 0.060 nan 4.420 nan 0.000 0.237 342 P C 0.790 178.075 177.300 -0.024 0.000 1.178 342 P CA 0.315 63.394 63.100 -0.036 0.000 0.766 342 P CB 0.275 31.953 31.700 -0.036 0.000 0.876 343 A N -0.600 122.202 122.820 -0.029 0.000 2.209 343 A HA -0.050 4.270 4.320 0.000 0.000 0.212 343 A C 1.314 178.888 177.584 -0.017 0.000 1.158 343 A CA 0.903 52.928 52.037 -0.021 0.000 0.742 343 A CB -0.722 18.264 19.000 -0.024 0.000 0.790 343 A HN 0.104 nan 8.150 nan 0.000 0.472 344 N N 0.147 118.835 118.700 -0.019 0.000 2.703 344 N HA 0.229 4.969 4.740 0.000 0.000 0.283 344 N C -3.224 172.282 175.510 -0.006 0.000 1.851 344 N CA -1.084 51.958 53.050 -0.013 0.000 0.826 344 N CB 0.838 39.314 38.487 -0.019 0.000 1.239 344 N HN 0.025 nan 8.380 nan 0.000 0.495 345 P HA 0.061 nan 4.420 nan 0.000 0.264 345 P C -2.242 175.070 177.300 0.021 0.000 1.183 345 P CA -0.383 62.726 63.100 0.015 0.000 0.763 345 P CB -0.025 31.686 31.700 0.019 0.000 0.807 346 P HA 0.022 nan 4.420 nan 0.000 0.269 346 P C 0.841 178.166 177.300 0.041 0.000 1.215 346 P CA 0.091 63.217 63.100 0.042 0.000 0.780 346 P CB 1.069 32.812 31.700 0.071 0.000 0.898 347 E N 0.196 120.414 120.200 0.030 0.000 2.028 347 E HA -0.059 4.291 4.350 0.000 0.000 0.191 347 E C 0.375 177.004 176.600 0.048 0.000 0.988 347 E CA 1.019 57.433 56.400 0.023 0.000 0.799 347 E CB 0.026 29.725 29.700 -0.002 0.000 0.755 347 E HN 0.407 nan 8.360 nan 0.000 0.447 348 L N 0.931 122.192 121.223 0.064 0.000 2.329 348 L HA 0.269 4.609 4.340 0.000 0.000 0.279 348 L C 0.087 177.075 176.870 0.197 0.000 1.014 348 L CA -0.664 54.253 54.840 0.128 0.000 0.814 348 L CB 1.708 43.806 42.059 0.065 0.000 1.257 348 L HN 0.155 nan 8.230 nan 0.000 0.424 349 L N 3.641 125.005 121.223 0.234 0.000 3.895 349 L HA -0.190 4.150 4.340 0.000 0.000 0.511 349 L C -1.447 175.534 176.870 0.186 0.000 1.222 349 L CA -0.519 54.460 54.840 0.231 0.000 0.739 349 L CB -0.856 41.371 42.059 0.280 0.000 1.425 349 L HN 0.594 nan 8.230 nan 0.000 0.817 350 P HA -0.111 nan 4.420 nan 0.000 0.225 350 P C 1.256 178.655 177.300 0.165 0.000 1.148 350 P CA 1.001 64.180 63.100 0.131 0.000 0.779 350 P CB 0.340 32.098 31.700 0.098 0.000 0.780 351 S N -0.643 115.171 115.700 0.191 0.000 2.558 351 S HA 0.053 4.523 4.470 0.000 0.000 0.217 351 S C 0.861 175.622 174.600 0.267 0.000 0.975 351 S CA -0.384 57.975 58.200 0.264 0.000 0.912 351 S CB -0.662 62.671 63.200 0.222 0.000 0.776 351 S HN 0.084 nan 8.310 nan 0.000 0.526 352 L N 2.276 123.635 121.223 0.226 0.000 2.499 352 L HA 0.399 4.739 4.340 0.000 0.000 0.273 352 L C 1.185 178.201 176.870 0.244 0.000 1.195 352 L CA 1.137 56.113 54.840 0.227 0.000 0.882 352 L CB -0.321 41.858 42.059 0.200 0.000 1.133 352 L HN 0.338 nan 8.230 nan 0.000 0.483 353 G N 2.464 111.419 108.800 0.259 0.000 2.168 353 G HA2 -0.279 3.681 3.960 0.000 0.000 0.263 353 G HA3 -0.279 3.681 3.960 0.000 0.000 0.263 353 G C 0.428 175.463 174.900 0.225 0.000 0.977 353 G CA 0.459 45.714 45.100 0.258 0.000 0.659 353 G HN 0.850 nan 8.290 nan 0.000 0.533 354 S N -1.686 114.153 115.700 0.233 0.000 2.739 354 S HA 0.648 5.118 4.470 0.000 0.000 0.306 354 S C 0.407 175.165 174.600 0.264 0.000 1.115 354 S CA 0.040 58.322 58.200 0.136 0.000 0.985 354 S CB 0.903 64.104 63.200 0.002 0.000 1.133 354 S HN 0.901 nan 8.310 nan 0.000 0.541 355 Y N -0.964 119.405 120.300 0.116 0.000 4.177 355 Y HA -0.213 4.337 4.550 0.000 0.000 0.227 355 Y C 0.531 176.514 175.900 0.139 0.000 1.154 355 Y CA 0.252 58.418 58.100 0.110 0.000 1.887 355 Y CB -2.232 36.288 38.460 0.100 0.000 1.594 355 Y HN 0.601 nan 8.280 nan 0.000 0.668 356 I N -0.154 120.567 120.570 0.252 0.000 2.696 356 I HA 0.479 4.649 4.170 0.000 0.000 0.284 356 I C 0.659 176.945 176.117 0.281 0.000 1.129 356 I CA 0.374 61.825 61.300 0.252 0.000 1.410 356 I CB 1.262 39.412 38.000 0.250 0.000 1.399 356 I HN 0.188 nan 8.210 nan 0.000 0.579 357 T N 1.801 116.483 114.554 0.213 0.000 2.861 357 T HA 0.664 5.014 4.350 0.000 0.000 0.287 357 T C -0.679 174.053 174.700 0.053 0.000 1.003 357 T CA -0.703 61.512 62.100 0.192 0.000 0.977 357 T CB 2.006 70.934 68.868 0.099 0.000 0.996 357 T HN 0.828 nan 8.240 nan 0.000 0.448 358 E N 1.362 121.564 120.200 0.003 0.000 2.314 358 E HA 0.359 4.709 4.350 0.000 0.000 0.272 358 E C -0.921 175.789 176.600 0.184 0.000 0.884 358 E CA -0.592 55.763 56.400 -0.076 0.000 0.753 358 E CB 1.939 31.372 29.700 -0.446 0.000 1.213 358 E HN 0.688 nan 8.360 nan 0.000 0.432 359 Q N 1.180 121.094 119.800 0.189 0.000 2.373 359 Q HA 0.377 4.717 4.340 0.000 0.000 0.255 359 Q C -0.393 175.802 176.000 0.326 0.000 0.980 359 Q CA -0.193 55.772 55.803 0.269 0.000 0.882 359 Q CB 1.110 30.037 28.738 0.315 0.000 1.249 359 Q HN 0.486 nan 8.270 nan 0.000 0.438 360 S N 1.353 117.163 115.700 0.184 0.000 2.580 360 S HA 0.399 4.869 4.470 0.000 0.000 0.274 360 S C -0.713 173.923 174.600 0.061 0.000 1.329 360 S CA -0.552 57.625 58.200 -0.039 0.000 1.036 360 S CB 0.494 63.565 63.200 -0.216 0.000 0.919 360 S HN 0.391 nan 8.310 nan 0.000 0.515 361 L N 3.972 125.202 121.223 0.011 0.000 2.438 361 L HA 0.720 5.060 4.340 0.000 0.000 0.270 361 L C -0.836 175.885 176.870 -0.248 0.000 0.972 361 L CA -0.658 54.093 54.840 -0.148 0.000 0.831 361 L CB 1.579 43.554 42.059 -0.140 0.000 1.273 361 L HN 0.477 nan 8.230 nan 0.000 0.405 362 V N 2.051 121.727 119.914 -0.397 0.000 2.769 362 V HA 0.779 4.899 4.120 0.000 0.000 0.312 362 V C -0.997 174.943 176.094 -0.256 0.000 1.058 362 V CA -0.672 61.320 62.300 -0.512 0.000 0.952 362 V CB 1.704 33.022 31.823 -0.842 0.000 1.019 362 V HN 0.852 nan 8.190 nan 0.000 0.445 363 F N 4.296 124.026 119.950 -0.367 0.000 2.608 363 F HA 0.860 5.387 4.527 0.000 0.000 0.309 363 F C -0.471 175.194 175.800 -0.225 0.000 1.103 363 F CA -0.208 57.658 58.000 -0.224 0.000 0.954 363 F CB 1.435 40.346 39.000 -0.148 0.000 1.267 363 F HN 1.220 nan 8.300 nan 0.000 0.444 364 C N 2.793 121.382 119.300 -1.184 0.000 3.320 364 C HA 0.803 5.263 4.460 0.000 0.000 0.335 364 C C -1.691 172.684 174.990 -1.025 0.000 1.430 364 C CA -0.699 57.604 59.018 -1.191 0.000 1.271 364 C CB 1.666 28.994 27.740 -0.686 0.000 1.609 364 C HN 0.989 nan 8.230 nan 0.000 0.457 365 Q N 0.550 120.000 119.800 -0.584 0.000 2.399 365 Q HA 0.788 5.128 4.340 0.000 0.000 0.276 365 Q C -0.453 175.560 176.000 0.022 0.000 1.098 365 Q CA -0.261 55.450 55.803 -0.154 0.000 0.827 365 Q CB 2.679 31.327 28.738 -0.151 0.000 1.386 365 Q HN 0.942 nan 8.270 nan 0.000 0.443 366 T N -2.674 111.974 114.554 0.156 0.000 2.930 366 T HA 0.704 5.054 4.350 0.000 0.000 0.290 366 T C -0.635 174.112 174.700 0.079 0.000 1.052 366 T CA -0.730 61.426 62.100 0.092 0.000 1.017 366 T CB 1.261 70.183 68.868 0.089 0.000 1.137 366 T HN 0.263 nan 8.240 nan 0.000 0.511 367 V N 2.435 122.362 119.914 0.022 0.000 2.384 367 V HA 0.418 4.538 4.120 0.000 0.000 0.287 367 V C 0.226 176.321 176.094 0.002 0.000 1.020 367 V CA -0.885 61.420 62.300 0.010 0.000 0.850 367 V CB 1.235 33.055 31.823 -0.006 0.000 0.987 367 V HN 1.031 nan 8.190 nan 0.000 0.436 368 M N 4.805 124.414 119.600 0.016 0.000 2.250 368 M HA 0.121 4.601 4.480 0.000 0.000 0.337 368 M C 0.874 177.173 176.300 -0.002 0.000 1.161 368 M CA 0.708 56.020 55.300 0.020 0.000 1.088 368 M CB 0.705 33.315 32.600 0.018 0.000 1.639 368 M HN 0.912 nan 8.290 nan 0.000 0.447 369 S N 2.504 118.200 115.700 -0.006 0.000 2.573 369 S HA 0.076 4.546 4.470 0.000 0.000 0.277 369 S C 0.962 175.557 174.600 -0.007 0.000 1.346 369 S CA -0.087 58.101 58.200 -0.019 0.000 1.034 369 S CB 0.571 63.754 63.200 -0.027 0.000 0.879 369 S HN 0.812 nan 8.310 nan 0.000 0.528 370 T N 1.860 116.407 114.554 -0.012 0.000 2.720 370 T HA -0.144 4.206 4.350 0.000 0.000 0.268 370 T C 1.620 176.324 174.700 0.005 0.000 1.037 370 T CA 1.937 64.035 62.100 -0.003 0.000 1.144 370 T CB -0.481 68.383 68.868 -0.007 0.000 0.864 370 T HN 0.787 nan 8.240 nan 0.000 0.444 371 E N 0.370 120.570 120.200 -0.000 0.000 2.051 371 E HA -0.059 4.291 4.350 0.000 0.000 0.192 371 E C 2.250 178.864 176.600 0.024 0.000 0.991 371 E CA 0.831 57.234 56.400 0.006 0.000 0.799 371 E CB -0.202 29.494 29.700 -0.006 0.000 0.748 371 E HN 0.414 nan 8.360 nan 0.000 0.449 372 L N 0.757 121.996 121.223 0.027 0.000 2.046 372 L HA -0.206 4.134 4.340 0.000 0.000 0.208 372 L C 2.394 179.302 176.870 0.064 0.000 1.077 372 L CA 0.495 55.367 54.840 0.052 0.000 0.747 372 L CB -0.307 41.781 42.059 0.048 0.000 0.896 372 L HN 0.235 nan 8.230 nan 0.000 0.432 373 I N 0.045 120.639 120.570 0.039 0.000 2.179 373 I HA -0.300 3.870 4.170 0.000 0.000 0.242 373 I C 2.207 178.354 176.117 0.050 0.000 1.088 373 I CA 1.549 62.869 61.300 0.033 0.000 1.357 373 I CB -1.219 36.789 38.000 0.014 0.000 1.051 373 I HN 0.284 nan 8.210 nan 0.000 0.409 374 D N 0.811 121.239 120.400 0.046 0.000 2.158 374 D HA -0.151 4.489 4.640 0.000 0.000 0.197 374 D C 2.345 178.694 176.300 0.081 0.000 0.995 374 D CA 1.732 55.765 54.000 0.054 0.000 0.846 374 D CB -0.153 40.669 40.800 0.038 0.000 0.941 374 D HN 0.413 nan 8.370 nan 0.000 0.456 375 S N -0.120 115.638 115.700 0.098 0.000 2.423 375 S HA -0.093 4.377 4.470 0.000 0.000 0.231 375 S C 2.168 176.922 174.600 0.257 0.000 1.014 375 S CA 0.548 58.835 58.200 0.146 0.000 0.965 375 S CB -0.489 62.791 63.200 0.132 0.000 0.785 375 S HN 0.087 nan 8.310 nan 0.000 0.495 376 V N 3.058 123.106 119.914 0.222 0.000 2.469 376 V HA -0.171 3.949 4.120 0.000 0.000 0.251 376 V C 2.257 178.512 176.094 0.269 0.000 1.064 376 V CA 2.152 64.624 62.300 0.285 0.000 1.066 376 V CB -0.815 31.069 31.823 0.101 0.000 0.667 376 V HN 0.837 nan 8.190 nan 0.000 0.461 377 K N 0.180 120.684 120.400 0.174 0.000 2.498 377 K HA 0.160 4.481 4.320 0.000 0.000 0.207 377 K C 1.615 178.286 176.600 0.117 0.000 1.033 377 K CA 0.674 57.043 56.287 0.137 0.000 1.138 377 K CB 0.194 32.754 32.500 0.100 0.000 0.860 377 K HN 0.410 nan 8.250 nan 0.000 0.490 378 S N 0.966 116.750 115.700 0.141 0.000 2.402 378 S HA -0.191 4.279 4.470 0.000 0.000 0.233 378 S C 1.021 175.638 174.600 0.028 0.000 1.030 378 S CA 1.433 59.672 58.200 0.065 0.000 1.003 378 S CB -0.299 62.913 63.200 0.019 0.000 0.813 378 S HN 0.356 nan 8.310 nan 0.000 0.477 379 D N 0.766 121.194 120.400 0.046 0.000 2.339 379 D HA 0.214 4.854 4.640 0.000 0.000 0.217 379 D C 0.254 176.600 176.300 0.077 0.000 1.050 379 D CA 0.289 54.304 54.000 0.026 0.000 0.856 379 D CB -0.028 40.768 40.800 -0.008 0.000 0.922 379 D HN 0.395 nan 8.370 nan 0.000 0.518 380 M N 0.446 120.093 119.600 0.079 0.000 2.274 380 M HA 0.208 4.688 4.480 0.000 0.000 0.344 380 M C 0.348 176.678 176.300 0.051 0.000 1.161 380 M CA 0.083 55.437 55.300 0.090 0.000 1.126 380 M CB 1.005 33.651 32.600 0.077 0.000 1.522 380 M HN -0.334 nan 8.290 nan 0.000 0.461 381 T N 4.130 118.706 114.554 0.036 0.000 2.767 381 T HA 0.669 5.019 4.350 0.000 0.000 0.284 381 T C 0.074 174.754 174.700 -0.033 0.000 0.973 381 T CA -0.366 61.735 62.100 0.002 0.000 0.996 381 T CB 0.582 69.445 68.868 -0.007 0.000 0.927 381 T HN 0.429 nan 8.240 nan 0.000 0.456 382 I N 3.957 124.507 120.570 -0.034 0.000 2.406 382 I HA 0.500 4.670 4.170 0.000 0.000 0.290 382 I C 0.248 176.333 176.117 -0.053 0.000 0.999 382 I CA -0.803 60.451 61.300 -0.077 0.000 1.124 382 I CB 1.467 39.461 38.000 -0.011 0.000 1.289 382 I HN 0.329 nan 8.210 nan 0.000 0.441 383 R N 3.887 124.322 120.500 -0.108 0.000 2.686 383 R HA 0.780 5.120 4.340 0.000 0.000 0.286 383 R C -0.010 176.300 176.300 0.016 0.000 0.969 383 R CA -0.656 55.422 56.100 -0.037 0.000 0.898 383 R CB 2.236 32.508 30.300 -0.047 0.000 1.183 383 R HN 0.882 nan 8.270 nan 0.000 0.456 384 G N 0.853 109.704 108.800 0.085 0.000 2.660 384 G HA2 -0.234 3.726 3.960 0.000 0.000 0.215 384 G HA3 -0.234 3.726 3.960 0.000 0.000 0.215 384 G C -0.877 174.169 174.900 0.244 0.000 1.345 384 G CA -0.443 44.745 45.100 0.147 0.000 0.877 384 G HN 0.663 nan 8.290 nan 0.000 0.549 385 T N -0.214 114.473 114.554 0.221 0.000 2.861 385 T HA 0.687 5.037 4.350 0.000 0.000 0.287 385 T C -2.953 171.673 174.700 -0.124 0.000 1.003 385 T CA -1.341 60.817 62.100 0.096 0.000 0.977 385 T CB 2.458 71.342 68.868 0.027 0.000 0.996 385 T HN 0.523 nan 8.240 nan 0.000 0.448 386 P HA 0.267 nan 4.420 nan 0.000 0.265 386 P C 1.238 178.297 177.300 -0.403 0.000 1.187 386 P CA 1.246 63.761 63.100 -0.974 0.000 0.766 386 P CB 0.192 31.475 31.700 -0.694 0.000 0.820 387 G N 1.209 109.817 108.800 -0.321 0.000 2.225 387 G HA2 -0.230 3.731 3.960 0.000 0.000 0.254 387 G HA3 -0.230 3.731 3.960 0.000 0.000 0.254 387 G C -0.024 174.839 174.900 -0.061 0.000 0.988 387 G CA -0.157 44.862 45.100 -0.136 0.000 0.625 387 G HN 0.560 nan 8.290 nan 0.000 0.527 388 E N -0.375 119.801 120.200 -0.041 0.000 2.248 388 E HA 0.623 4.973 4.350 0.000 0.000 0.272 388 E C 1.293 177.929 176.600 0.060 0.000 1.008 388 E CA -0.855 55.555 56.400 0.015 0.000 0.856 388 E CB 1.444 31.159 29.700 0.025 0.000 1.120 388 E HN 0.031 nan 8.360 nan 0.000 0.397 389 L N 1.643 122.893 121.223 0.045 0.000 2.113 389 L HA -0.312 4.029 4.340 0.000 0.000 0.221 389 L C 2.337 179.245 176.870 0.063 0.000 1.084 389 L CA 2.552 57.420 54.840 0.047 0.000 0.787 389 L CB -0.587 41.491 42.059 0.031 0.000 0.893 389 L HN 0.793 nan 8.230 nan 0.000 0.440 390 T N -4.844 109.755 114.554 0.075 0.000 3.107 390 T HA -0.049 4.301 4.350 0.000 0.000 0.249 390 T C 0.527 175.290 174.700 0.104 0.000 1.096 390 T CA -0.368 61.773 62.100 0.068 0.000 1.012 390 T CB -0.499 68.401 68.868 0.054 0.000 0.977 390 T HN 0.130 nan 8.240 nan 0.000 0.527 391 Y N 2.700 122.999 120.300 -0.002 0.000 2.526 391 Y HA 0.445 4.995 4.550 0.000 0.000 0.330 391 Y C 0.147 176.047 175.900 -0.000 0.000 1.156 391 Y CA -0.580 57.519 58.100 -0.001 0.000 1.419 391 Y CB 0.453 38.911 38.460 -0.003 0.000 1.250 391 Y HN 0.218 nan 8.280 nan 0.000 0.540 392 S N 5.175 120.565 115.700 -0.517 0.000 2.619 392 S HA 0.692 5.162 4.470 0.000 0.000 0.280 392 S C -2.063 172.248 174.600 -0.482 0.000 1.150 392 S CA -0.703 57.270 58.200 -0.379 0.000 0.978 392 S CB 0.722 63.815 63.200 -0.178 0.000 1.041 392 S HN 0.468 nan 8.310 nan 0.000 0.485 393 V N 4.842 124.548 119.914 -0.346 0.000 2.443 393 V HA 0.695 4.815 4.120 0.000 0.000 0.293 393 V C 0.132 176.192 176.094 -0.057 0.000 1.021 393 V CA -0.419 61.758 62.300 -0.205 0.000 0.848 393 V CB 1.293 33.026 31.823 -0.150 0.000 0.998 393 V HN 1.017 nan 8.190 nan 0.000 0.424 394 T N 1.832 116.377 114.554 -0.016 0.000 2.901 394 T HA 0.891 5.241 4.350 0.000 0.000 0.293 394 T C -0.954 173.817 174.700 0.118 0.000 1.084 394 T CA -0.753 61.358 62.100 0.018 0.000 1.008 394 T CB 2.416 71.248 68.868 -0.061 0.000 1.170 394 T HN 0.783 nan 8.240 nan 0.000 0.509 395 Y N -1.831 118.460 120.300 -0.016 0.000 2.644 395 Y HA 0.761 5.311 4.550 0.000 0.000 0.338 395 Y C -0.868 175.023 175.900 -0.015 0.000 1.119 395 Y CA -1.267 56.825 58.100 -0.013 0.000 1.060 395 Y CB 0.896 39.356 38.460 0.001 0.000 1.294 395 Y HN 0.639 nan 8.280 nan 0.000 0.472 396 T N 4.241 118.776 114.554 -0.031 0.000 2.738 396 T HA 0.392 4.742 4.350 0.000 0.000 0.298 396 T C -2.767 171.926 174.700 -0.012 0.000 0.962 396 T CA -1.290 60.746 62.100 -0.106 0.000 0.972 396 T CB 0.651 69.506 68.868 -0.021 0.000 0.928 396 T HN 0.359 nan 8.240 nan 0.000 0.474 397 P HA 0.261 nan 4.420 nan 0.000 0.267 397 P C 1.055 178.395 177.300 0.068 0.000 1.205 397 P CA 0.539 63.683 63.100 0.072 0.000 0.765 397 P CB 0.441 32.132 31.700 -0.015 0.000 0.828 398 G N 2.053 110.910 108.800 0.095 0.000 2.184 398 G HA2 -0.212 3.748 3.960 0.000 0.000 0.264 398 G HA3 -0.212 3.748 3.960 0.000 0.000 0.264 398 G C 0.431 175.345 174.900 0.023 0.000 0.975 398 G CA -0.006 45.122 45.100 0.047 0.000 0.642 398 G HN 0.853 nan 8.290 nan 0.000 0.536 399 A N 0.632 123.467 122.820 0.025 0.000 2.450 399 A HA 0.679 4.999 4.320 0.000 0.000 0.255 399 A C 1.725 179.297 177.584 -0.020 0.000 1.096 399 A CA 1.223 53.260 52.037 0.001 0.000 0.778 399 A CB 0.424 19.426 19.000 0.004 0.000 1.031 399 A HN 1.701 nan 8.150 nan 0.000 0.494 400 S N 1.730 117.415 115.700 -0.024 0.000 2.447 400 S HA -0.164 4.306 4.470 0.000 0.000 0.233 400 S C 1.470 176.037 174.600 -0.055 0.000 1.006 400 S CA 1.711 59.890 58.200 -0.036 0.000 0.957 400 S CB -0.920 62.263 63.200 -0.027 0.000 0.773 400 S HN 1.029 nan 8.310 nan 0.000 0.507 401 T N -0.146 114.377 114.554 -0.052 0.000 3.035 401 T HA 0.101 4.451 4.350 0.000 0.000 0.268 401 T C 0.551 175.191 174.700 -0.100 0.000 1.109 401 T CA -0.027 62.033 62.100 -0.068 0.000 1.119 401 T CB -0.708 68.130 68.868 -0.051 0.000 0.900 401 T HN 0.279 nan 8.240 nan 0.000 0.503 402 N N 2.368 121.009 118.700 -0.099 0.000 2.454 402 N HA 0.097 4.837 4.740 0.000 0.000 0.260 402 N C 1.040 176.384 175.510 -0.276 0.000 1.218 402 N CA -0.058 52.899 53.050 -0.155 0.000 0.904 402 N CB 0.782 39.202 38.487 -0.111 0.000 1.065 402 N HN 0.264 nan 8.380 nan 0.000 0.462 403 K N 1.313 121.448 120.400 -0.441 0.000 2.288 403 K HA -0.014 4.306 4.320 0.000 0.000 0.201 403 K C 0.027 176.051 176.600 -0.959 0.000 1.048 403 K CA 0.962 56.829 56.287 -0.701 0.000 0.956 403 K CB 0.065 32.053 32.500 -0.853 0.000 0.746 403 K HN 0.579 nan 8.250 nan 0.000 0.461 404 H N -0.118 118.624 119.070 -0.546 0.000 2.731 404 H HA 0.325 4.881 4.556 0.000 0.000 0.368 404 H C -2.339 172.653 175.328 -0.560 0.000 1.168 404 H CA -2.529 53.033 56.048 -0.810 0.000 1.181 404 H CB 1.400 30.254 29.762 -1.513 0.000 1.743 404 H HN -0.128 nan 8.280 nan 0.000 0.547 405 P HA 0.030 nan 4.420 nan 0.000 0.274 405 P C 0.283 177.365 177.300 -0.364 0.000 1.256 405 P CA -0.291 62.600 63.100 -0.349 0.000 0.795 405 P CB 1.277 32.754 31.700 -0.372 0.000 1.038 406 D N 0.061 120.384 120.400 -0.128 0.000 2.149 406 D HA -0.153 4.487 4.640 0.000 0.000 0.198 406 D C 1.929 178.230 176.300 0.002 0.000 0.990 406 D CA 1.334 55.332 54.000 -0.004 0.000 0.839 406 D CB -0.533 40.370 40.800 0.171 0.000 0.948 406 D HN 0.615 nan 8.370 nan 0.000 0.460 407 W N 0.303 121.666 121.300 0.106 0.000 2.358 407 W HA -0.157 4.504 4.660 0.000 0.000 0.303 407 W C 2.014 178.605 176.519 0.120 0.000 1.208 407 W CA 0.223 57.629 57.345 0.102 0.000 1.274 407 W CB -1.370 28.146 29.460 0.093 0.000 1.138 407 W HN 0.048 nan 8.180 nan 0.000 0.515 408 W N 3.450 124.233 121.300 -0.861 0.000 2.353 408 W HA -0.193 4.467 4.660 0.000 0.000 0.319 408 W C 1.987 178.237 176.519 -0.449 0.000 1.207 408 W CA 1.915 58.795 57.345 -0.774 0.000 1.291 408 W CB -1.063 27.703 29.460 -1.157 0.000 1.159 408 W HN -0.087 nan 8.180 nan 0.000 0.478 409 N N 0.909 119.512 118.700 -0.162 0.000 2.166 409 N HA -0.212 4.528 4.740 0.000 0.000 0.186 409 N C 1.527 176.754 175.510 -0.471 0.000 1.019 409 N CA 2.011 54.761 53.050 -0.500 0.000 0.856 409 N CB -0.727 37.008 38.487 -1.252 0.000 0.993 409 N HN 0.237 nan 8.380 nan 0.000 0.426 410 E N 1.396 121.456 120.200 -0.233 0.000 2.058 410 E HA -0.104 4.246 4.350 0.000 0.000 0.194 410 E C 1.658 178.311 176.600 0.088 0.000 0.997 410 E CA 1.406 57.864 56.400 0.096 0.000 0.801 410 E CB 0.034 29.855 29.700 0.202 0.000 0.746 410 E HN 0.274 nan 8.360 nan 0.000 0.450 411 K N -0.532 119.908 120.400 0.067 0.000 2.057 411 K HA -0.103 4.217 4.320 0.000 0.000 0.207 411 K C 2.143 178.759 176.600 0.026 0.000 1.049 411 K CA 1.395 57.715 56.287 0.055 0.000 0.931 411 K CB -0.177 32.343 32.500 0.033 0.000 0.714 411 K HN 0.021 nan 8.250 nan 0.000 0.440 412 V N 2.010 121.905 119.914 -0.031 0.000 2.261 412 V HA -0.277 3.843 4.120 0.000 0.000 0.246 412 V C 2.402 178.544 176.094 0.080 0.000 1.047 412 V CA 1.684 63.982 62.300 -0.003 0.000 1.015 412 V CB -0.446 31.366 31.823 -0.019 0.000 0.642 412 V HN 0.354 nan 8.190 nan 0.000 0.446 413 K N 0.316 120.761 120.400 0.074 0.000 2.015 413 K HA -0.288 4.032 4.320 0.000 0.000 0.216 413 K C 2.031 178.693 176.600 0.104 0.000 1.052 413 K CA 2.308 58.668 56.287 0.122 0.000 0.937 413 K CB -0.369 32.269 32.500 0.230 0.000 0.719 413 K HN 0.447 nan 8.250 nan 0.000 0.446 414 N N 0.340 119.106 118.700 0.110 0.000 2.104 414 N HA -0.200 4.540 4.740 0.000 0.000 0.190 414 N C 1.821 177.381 175.510 0.084 0.000 1.024 414 N CA 1.582 54.685 53.050 0.090 0.000 0.853 414 N CB -0.785 37.761 38.487 0.099 0.000 1.008 414 N HN 0.457 nan 8.380 nan 0.000 0.424 415 H N 0.696 119.791 119.070 0.042 0.000 2.319 415 H HA 0.051 4.607 4.556 0.000 0.000 0.299 415 H C 2.079 177.446 175.328 0.065 0.000 1.092 415 H CA 1.870 57.950 56.048 0.054 0.000 1.302 415 H CB -0.136 29.587 29.762 -0.065 0.000 1.373 415 H HN 0.129 nan 8.280 nan 0.000 0.497 416 M N -0.864 118.710 119.600 -0.043 0.000 2.229 416 M HA -0.131 4.349 4.480 0.000 0.000 0.264 416 M C 1.869 178.209 176.300 0.067 0.000 1.063 416 M CA 1.041 56.334 55.300 -0.010 0.000 1.114 416 M CB 0.038 32.713 32.600 0.124 0.000 1.387 416 M HN 0.340 nan 8.290 nan 0.000 0.420 417 M N -0.264 119.362 119.600 0.044 0.000 2.254 417 M HA -0.105 4.375 4.480 0.000 0.000 0.265 417 M C 1.904 178.185 176.300 -0.031 0.000 1.066 417 M CA 1.440 56.773 55.300 0.056 0.000 1.123 417 M CB -0.928 31.686 32.600 0.024 0.000 1.388 417 M HN 0.194 nan 8.290 nan 0.000 0.425 418 Q N -0.711 118.995 119.800 -0.157 0.000 2.354 418 Q HA 0.048 4.388 4.340 0.000 0.000 0.203 418 Q C 0.261 175.895 176.000 -0.611 0.000 0.933 418 Q CA 0.907 56.490 55.803 -0.366 0.000 0.901 418 Q CB 0.091 28.570 28.738 -0.432 0.000 1.007 418 Q HN 0.545 nan 8.270 nan 0.000 0.495 419 H N 0.376 119.366 119.070 -0.134 0.000 2.336 419 H HA 0.276 4.832 4.556 0.000 0.000 0.230 419 H C 0.299 175.548 175.328 -0.132 0.000 1.426 419 H CA -0.103 55.878 56.048 -0.112 0.000 1.359 419 H CB 0.430 30.117 29.762 -0.125 0.000 1.555 419 H HN 0.240 nan 8.280 nan 0.000 0.512 420 Q N 0.631 120.413 119.800 -0.030 0.000 2.364 420 Q HA -0.109 4.231 4.340 0.000 0.000 0.207 420 Q C 1.708 177.653 176.000 -0.092 0.000 0.970 420 Q CA 0.883 56.626 55.803 -0.101 0.000 0.888 420 Q CB 0.402 29.034 28.738 -0.178 0.000 0.951 420 Q HN 0.511 nan 8.270 nan 0.000 0.469 421 E N 1.029 121.225 120.200 -0.007 0.000 2.435 421 E HA -0.085 4.265 4.350 0.000 0.000 0.195 421 E C -0.344 176.289 176.600 0.055 0.000 1.029 421 E CA 0.408 56.816 56.400 0.014 0.000 0.865 421 E CB -0.018 29.709 29.700 0.044 0.000 0.833 421 E HN 0.146 nan 8.360 nan 0.000 0.510 422 D N 2.396 122.848 120.400 0.086 0.000 2.277 422 D HA 0.108 4.748 4.640 0.000 0.000 0.249 422 D C -1.476 174.872 176.300 0.079 0.000 1.134 422 D CA -2.069 52.009 54.000 0.130 0.000 0.863 422 D CB 1.528 42.447 40.800 0.199 0.000 1.143 422 D HN -0.151 nan 8.370 nan 0.000 0.458 423 P HA 0.074 nan 4.420 nan 0.000 0.249 423 P C -0.170 177.167 177.300 0.061 0.000 1.229 423 P CA 0.191 63.324 63.100 0.055 0.000 0.788 423 P CB 0.403 32.127 31.700 0.041 0.000 1.072 424 L N 1.896 123.163 121.223 0.074 0.000 2.331 424 L HA 0.360 4.700 4.340 0.000 0.000 0.275 424 L C -1.305 175.595 176.870 0.049 0.000 1.022 424 L CA -2.244 52.614 54.840 0.031 0.000 0.812 424 L CB 2.313 44.358 42.059 -0.024 0.000 1.257 424 L HN -0.284 nan 8.230 nan 0.000 0.435 425 P HA 0.075 nan 4.420 nan 0.000 0.251 425 P C 0.265 177.446 177.300 -0.198 0.000 1.223 425 P CA 0.495 63.608 63.100 0.021 0.000 0.796 425 P CB 0.437 32.151 31.700 0.023 0.000 1.068 426 I N 2.374 122.731 120.570 -0.355 0.000 2.416 426 I HA 0.193 4.363 4.170 0.000 0.000 0.288 426 I C -2.123 173.476 176.117 -0.863 0.000 1.051 426 I CA -2.654 58.358 61.300 -0.481 0.000 1.375 426 I CB 0.521 38.330 38.000 -0.317 0.000 1.407 426 I HN -0.227 nan 8.210 nan 0.000 0.516 427 P HA 0.005 nan 4.420 nan 0.000 0.266 427 P C 0.312 177.347 177.300 -0.442 0.000 1.195 427 P CA -0.010 62.693 63.100 -0.662 0.000 0.768 427 P CB 0.325 31.890 31.700 -0.225 0.000 0.838 428 F N 0.961 120.794 119.950 -0.195 0.000 2.154 428 F HA -0.163 4.365 4.527 0.000 0.000 0.301 428 F C 1.734 177.495 175.800 -0.064 0.000 1.087 428 F CA 1.625 59.558 58.000 -0.111 0.000 1.274 428 F CB -0.991 37.957 39.000 -0.087 0.000 1.009 428 F HN 0.416 nan 8.300 nan 0.000 0.485 429 E N -0.214 120.068 120.200 0.137 0.000 2.419 429 E HA -0.009 4.341 4.350 0.000 0.000 0.190 429 E C -0.221 176.400 176.600 0.036 0.000 1.040 429 E CA -0.204 56.249 56.400 0.088 0.000 0.900 429 E CB -0.292 29.463 29.700 0.092 0.000 1.054 429 E HN 0.216 nan 8.360 nan 0.000 0.462 430 D N 2.362 122.759 120.400 -0.006 0.000 2.417 430 D HA 0.040 4.680 4.640 0.000 0.000 0.250 430 D C -2.307 174.007 176.300 0.023 0.000 1.166 430 D CA -1.629 52.354 54.000 -0.029 0.000 0.881 430 D CB 0.853 41.590 40.800 -0.104 0.000 1.164 430 D HN -0.135 nan 8.370 nan 0.000 0.467 431 P HA 0.080 nan 4.420 nan 0.000 0.272 431 P C -0.518 176.897 177.300 0.192 0.000 1.240 431 P CA -0.370 62.823 63.100 0.156 0.000 0.791 431 P CB 0.434 32.233 31.700 0.165 0.000 0.978 432 E N 1.629 121.969 120.200 0.232 0.000 2.404 432 E HA 0.098 4.448 4.350 0.000 0.000 0.261 432 E C -2.035 174.595 176.600 0.049 0.000 1.074 432 E CA -1.455 54.997 56.400 0.087 0.000 0.917 432 E CB -0.860 28.843 29.700 0.006 0.000 0.965 432 E HN 0.350 nan 8.360 nan 0.000 0.433 433 P HA 0.028 nan 4.420 nan 0.000 0.271 433 P C -0.433 176.864 177.300 -0.006 0.000 1.218 433 P CA 0.063 63.224 63.100 0.102 0.000 0.780 433 P CB 0.591 32.297 31.700 0.011 0.000 0.901 434 Q N 1.124 121.024 119.800 0.167 0.000 3.484 434 Q HA 0.315 4.655 4.340 0.000 0.000 0.255 434 Q C -0.985 175.108 176.000 0.155 0.000 0.909 434 Q CA -0.361 55.423 55.803 -0.031 0.000 0.774 434 Q CB 1.274 29.755 28.738 -0.429 0.000 1.431 434 Q HN 0.197 nan 8.270 nan 0.000 0.423 435 V N 0.643 120.597 119.914 0.066 0.000 2.667 435 V HA 0.732 4.852 4.120 0.000 0.000 0.308 435 V C 0.131 176.230 176.094 0.008 0.000 1.048 435 V CA -0.392 61.942 62.300 0.057 0.000 0.928 435 V CB 2.090 33.882 31.823 -0.052 0.000 1.004 435 V HN 0.476 nan 8.190 nan 0.000 0.444 436 T N 1.659 116.248 114.554 0.057 0.000 2.916 436 T HA 0.472 4.823 4.350 0.000 0.000 0.305 436 T C -0.924 173.725 174.700 -0.085 0.000 1.119 436 T CA -0.321 61.760 62.100 -0.031 0.000 1.008 436 T CB 1.834 70.673 68.868 -0.048 0.000 1.129 436 T HN 0.828 nan 8.240 nan 0.000 0.480 437 T N 4.712 119.077 114.554 -0.315 0.000 2.770 437 T HA 0.607 4.957 4.350 0.000 0.000 0.283 437 T C 0.037 174.596 174.700 -0.235 0.000 0.988 437 T CA -0.619 61.137 62.100 -0.574 0.000 0.957 437 T CB -0.102 67.971 68.868 -1.325 0.000 0.930 437 T HN 0.527 nan 8.240 nan 0.000 0.443 438 L N 4.265 125.424 121.223 -0.107 0.000 2.473 438 L HA 0.374 4.714 4.340 0.000 0.000 0.268 438 L C 0.757 177.641 176.870 0.023 0.000 1.215 438 L CA -0.879 53.983 54.840 0.037 0.000 0.823 438 L CB 0.204 42.279 42.059 0.025 0.000 1.099 438 L HN 0.628 nan 8.230 nan 0.000 0.483 439 F N 2.448 122.330 119.950 -0.114 0.000 2.623 439 F HA -0.017 4.510 4.527 0.000 0.000 0.383 439 F C 0.220 175.761 175.800 -0.432 0.000 1.077 439 F CA 0.417 58.255 58.000 -0.270 0.000 1.268 439 F CB 0.151 39.046 39.000 -0.174 0.000 1.053 439 F HN 0.363 nan 8.300 nan 0.000 0.571 440 Q N 6.555 125.852 119.800 -0.839 0.000 2.456 440 Q HA 0.266 4.606 4.340 0.000 0.000 0.284 440 Q C -2.030 173.524 176.000 -0.743 0.000 1.061 440 Q CA -1.793 53.605 55.803 -0.674 0.000 0.799 440 Q CB 1.442 29.682 28.738 -0.831 0.000 1.445 440 Q HN 0.252 nan 8.270 nan 0.000 0.411 441 P HA -0.200 nan 4.420 nan 0.000 0.216 441 P C 1.167 178.244 177.300 -0.373 0.000 1.153 441 P CA 2.081 65.006 63.100 -0.293 0.000 0.858 441 P CB 0.212 31.832 31.700 -0.134 0.000 0.789 442 S N -1.648 113.841 115.700 -0.352 0.000 2.522 442 S HA -0.110 4.360 4.470 0.000 0.000 0.227 442 S C 0.503 174.911 174.600 -0.319 0.000 0.986 442 S CA 0.244 58.309 58.200 -0.225 0.000 0.929 442 S CB -1.292 61.879 63.200 -0.048 0.000 0.769 442 S HN 0.443 nan 8.310 nan 0.000 0.529 443 H N -1.191 117.440 119.070 -0.733 0.000 2.538 443 H HA 0.474 5.030 4.556 0.000 0.000 0.239 443 H C -3.254 170.906 175.328 -1.947 0.000 1.401 443 H CA -1.889 53.335 56.048 -1.374 0.000 1.499 443 H CB 0.550 29.780 29.762 -0.887 0.000 1.624 443 H HN 0.063 nan 8.280 nan 0.000 0.524 444 P HA 0.091 nan 4.420 nan 0.000 0.220 444 P C -1.284 175.350 177.300 -1.111 0.000 1.806 444 P CA 0.164 62.157 63.100 -1.844 0.000 0.976 444 P CB -1.005 30.176 31.700 -0.865 0.000 1.952 445 W N -0.229 120.726 121.300 -0.576 0.000 3.137 445 W HA 0.508 5.168 4.660 0.000 0.000 0.324 445 W C -1.007 175.606 176.519 0.156 0.000 1.253 445 W CA -1.238 56.118 57.345 0.019 0.000 1.183 445 W CB 0.016 29.512 29.460 0.061 0.000 1.424 445 W HN 0.002 nan 8.180 nan 0.000 0.566 446 H N 0.964 120.321 119.070 0.477 0.000 2.505 446 H HA 0.732 5.288 4.556 0.000 0.000 0.351 446 H C -0.203 175.308 175.328 0.304 0.000 1.151 446 H CA 0.531 56.761 56.048 0.305 0.000 1.339 446 H CB 1.536 31.420 29.762 0.203 0.000 1.483 446 H HN 0.590 nan 8.280 nan 0.000 0.558 447 T N 1.896 116.100 114.554 -0.584 0.000 2.912 447 T HA 0.498 4.848 4.350 0.000 0.000 0.299 447 T C -0.854 173.543 174.700 -0.505 0.000 1.052 447 T CA -1.119 60.675 62.100 -0.511 0.000 0.996 447 T CB 1.666 70.101 68.868 -0.721 0.000 1.070 447 T HN 0.670 nan 8.240 nan 0.000 0.465 448 Q N 1.711 121.415 119.800 -0.160 0.000 2.323 448 Q HA 0.610 4.950 4.340 0.000 0.000 0.271 448 Q C -1.218 174.669 176.000 -0.189 0.000 1.048 448 Q CA -0.739 54.888 55.803 -0.295 0.000 0.792 448 Q CB 2.783 31.194 28.738 -0.545 0.000 1.280 448 Q HN 0.717 nan 8.270 nan 0.000 0.441 449 I N 3.450 123.879 120.570 -0.236 0.000 2.521 449 I HA 0.376 4.546 4.170 0.000 0.000 0.277 449 I C -0.519 175.489 176.117 -0.181 0.000 1.054 449 I CA -0.277 60.770 61.300 -0.422 0.000 1.117 449 I CB 0.545 38.156 38.000 -0.648 0.000 1.217 449 I HN 0.763 nan 8.210 nan 0.000 0.469 450 H N 3.734 122.614 119.070 -0.316 0.000 2.888 450 H HA 0.646 5.202 4.556 0.000 0.000 0.267 450 H C -1.308 173.944 175.328 -0.127 0.000 1.482 450 H CA -1.354 54.584 56.048 -0.182 0.000 1.165 450 H CB 1.379 31.058 29.762 -0.139 0.000 1.866 450 H HN 0.126 nan 8.280 nan 0.000 0.599 451 R N 1.426 121.733 120.500 -0.321 0.000 2.532 451 R HA 0.271 4.611 4.340 0.000 0.000 0.297 451 R C -1.535 174.530 176.300 -0.392 0.000 0.984 451 R CA -0.609 55.290 56.100 -0.335 0.000 0.884 451 R CB 1.729 31.967 30.300 -0.104 0.000 1.182 451 R HN 0.903 nan 8.270 nan 0.000 0.442 452 D N 0.653 120.825 120.400 -0.380 0.000 2.497 452 D HA 0.460 5.100 4.640 0.000 0.000 0.243 452 D C -0.392 175.895 176.300 -0.022 0.000 1.039 452 D CA -0.840 53.044 54.000 -0.193 0.000 1.052 452 D CB 0.777 41.476 40.800 -0.168 0.000 1.344 452 D HN 0.391 nan 8.370 nan 0.000 0.553 453 A N -0.123 122.706 122.820 0.016 0.000 2.598 453 A HA 0.341 4.661 4.320 0.000 0.000 0.239 453 A C -0.724 176.928 177.584 0.115 0.000 1.032 453 A CA 0.309 52.401 52.037 0.092 0.000 0.760 453 A CB -0.797 18.283 19.000 0.134 0.000 0.946 453 A HN 0.488 nan 8.150 nan 0.000 0.512 454 F N 1.578 121.469 119.950 -0.097 0.000 2.608 454 F HA 0.463 4.990 4.527 0.000 0.000 0.309 454 F C 0.164 175.779 175.800 -0.309 0.000 1.103 454 F CA -0.307 57.527 58.000 -0.278 0.000 0.954 454 F CB 2.037 40.755 39.000 -0.470 0.000 1.267 454 F HN 0.356 nan 8.300 nan 0.000 0.444 455 S N 4.616 119.735 115.700 -0.968 0.000 2.642 455 S HA 0.304 4.774 4.470 0.000 0.000 0.309 455 S C -1.076 173.197 174.600 -0.545 0.000 1.125 455 S CA -0.220 57.628 58.200 -0.586 0.000 1.055 455 S CB -0.597 62.319 63.200 -0.473 0.000 1.157 455 S HN 0.406 nan 8.310 nan 0.000 0.513 456 Y N 2.091 122.430 120.300 0.065 0.000 2.402 456 Y HA 0.336 4.886 4.550 0.000 0.000 0.333 456 Y C 1.434 177.386 175.900 0.087 0.000 1.076 456 Y CA -0.124 58.098 58.100 0.204 0.000 1.299 456 Y CB 0.273 38.870 38.460 0.228 0.000 1.197 456 Y HN 0.638 nan 8.280 nan 0.000 0.517 457 G N 1.319 110.253 108.800 0.224 0.000 2.699 457 G HA2 0.256 4.216 3.960 0.000 0.000 0.246 457 G HA3 0.256 4.216 3.960 0.000 0.000 0.246 457 G C 0.902 175.891 174.900 0.148 0.000 1.219 457 G CA -0.065 45.118 45.100 0.138 0.000 0.866 457 G HN 0.878 nan 8.290 nan 0.000 0.572 458 A N -0.065 122.811 122.820 0.095 0.000 1.930 458 A HA 0.017 4.337 4.320 0.000 0.000 0.217 458 A C 2.504 180.133 177.584 0.076 0.000 1.175 458 A CA 1.804 53.887 52.037 0.077 0.000 0.627 458 A CB -0.440 18.591 19.000 0.051 0.000 0.815 458 A HN 0.514 nan 8.150 nan 0.000 0.443 459 V N -0.024 119.937 119.914 0.080 0.000 2.379 459 V HA -0.270 3.851 4.120 0.000 0.000 0.245 459 V C 2.598 178.741 176.094 0.082 0.000 1.044 459 V CA 2.096 64.437 62.300 0.069 0.000 1.036 459 V CB -0.800 31.061 31.823 0.064 0.000 0.664 459 V HN 0.649 nan 8.190 nan 0.000 0.453 460 Q N -0.490 119.389 119.800 0.132 0.000 2.124 460 Q HA -0.245 4.095 4.340 0.000 0.000 0.202 460 Q C 2.152 178.191 176.000 0.064 0.000 0.977 460 Q CA 1.319 57.216 55.803 0.156 0.000 0.850 460 Q CB -0.227 28.721 28.738 0.349 0.000 0.901 460 Q HN 0.652 nan 8.270 nan 0.000 0.429 461 Q N -0.058 119.791 119.800 0.082 0.000 2.561 461 Q HA -0.081 4.259 4.340 0.000 0.000 0.217 461 Q C 1.868 177.863 176.000 -0.008 0.000 0.980 461 Q CA 0.553 56.363 55.803 0.013 0.000 0.927 461 Q CB -0.002 28.773 28.738 0.062 0.000 0.980 461 Q HN 0.192 nan 8.270 nan 0.000 0.525 462 S N -0.104 115.600 115.700 0.008 0.000 2.428 462 S HA -0.014 4.456 4.470 0.000 0.000 0.230 462 S C 0.854 175.447 174.600 -0.013 0.000 1.014 462 S CA 0.119 58.322 58.200 0.004 0.000 0.957 462 S CB 0.271 63.481 63.200 0.017 0.000 0.784 462 S HN 0.135 nan 8.310 nan 0.000 0.499 463 I N 2.919 123.468 120.570 -0.034 0.000 2.365 463 I HA 0.256 4.426 4.170 0.000 0.000 0.291 463 I C 0.365 176.435 176.117 -0.080 0.000 1.004 463 I CA -0.907 60.365 61.300 -0.047 0.000 1.311 463 I CB 0.734 38.706 38.000 -0.047 0.000 1.401 463 I HN 0.194 nan 8.210 nan 0.000 0.491 464 D N 4.246 124.618 120.400 -0.046 0.000 2.450 464 D HA -0.048 4.592 4.640 0.000 0.000 0.247 464 D C 1.126 177.383 176.300 -0.072 0.000 1.162 464 D CA 0.141 54.119 54.000 -0.036 0.000 0.879 464 D CB 1.144 41.947 40.800 0.006 0.000 1.163 464 D HN 0.637 nan 8.370 nan 0.000 0.472 465 S N 4.035 119.681 115.700 -0.091 0.000 2.469 465 S HA -0.145 4.325 4.470 0.000 0.000 0.238 465 S C 1.627 176.195 174.600 -0.053 0.000 0.998 465 S CA 0.448 58.575 58.200 -0.122 0.000 0.957 465 S CB -0.007 63.131 63.200 -0.103 0.000 0.764 465 S HN 0.531 nan 8.310 nan 0.000 0.514 466 R N 0.639 121.124 120.500 -0.025 0.000 2.237 466 R HA 0.208 4.548 4.340 0.000 0.000 0.219 466 R C 1.646 177.926 176.300 -0.033 0.000 1.080 466 R CA 0.857 56.940 56.100 -0.028 0.000 0.995 466 R CB -0.472 29.801 30.300 -0.046 0.000 0.875 466 R HN 0.444 nan 8.270 nan 0.000 0.462 467 L N 0.150 121.355 121.223 -0.031 0.000 2.446 467 L HA 0.122 4.462 4.340 0.000 0.000 0.219 467 L C 0.611 177.479 176.870 -0.003 0.000 1.116 467 L CA 0.197 55.026 54.840 -0.019 0.000 0.844 467 L CB 0.133 42.181 42.059 -0.019 0.000 0.970 467 L HN 0.057 nan 8.230 nan 0.000 0.457 468 I N -0.227 120.334 120.570 -0.014 0.000 2.428 468 I HA 0.253 4.423 4.170 0.000 0.000 0.296 468 I C -0.553 175.581 176.117 0.029 0.000 0.985 468 I CA -0.368 60.938 61.300 0.011 0.000 1.260 468 I CB 1.862 39.852 38.000 -0.017 0.000 1.389 468 I HN -0.319 nan 8.210 nan 0.000 0.484 469 V N 4.612 124.566 119.914 0.067 0.000 2.709 469 V HA 0.342 4.462 4.120 0.000 0.000 0.308 469 V C -0.915 175.187 176.094 0.013 0.000 1.062 469 V CA -0.872 61.434 62.300 0.010 0.000 0.901 469 V CB 2.162 33.996 31.823 0.019 0.000 1.003 469 V HN 0.583 nan 8.190 nan 0.000 0.425 470 D N 2.166 122.498 120.400 -0.114 0.000 2.225 470 D HA 0.473 5.113 4.640 0.000 0.000 0.249 470 D C -1.030 175.164 176.300 -0.177 0.000 1.052 470 D CA 0.063 54.028 54.000 -0.057 0.000 0.909 470 D CB 1.432 42.218 40.800 -0.023 0.000 1.186 470 D HN 0.441 nan 8.370 nan 0.000 0.431 471 W N 1.073 122.343 121.300 -0.050 0.000 2.619 471 W HA 0.444 5.104 4.660 0.000 0.000 0.327 471 W C 0.155 176.701 176.519 0.045 0.000 1.027 471 W CA -0.819 56.534 57.345 0.014 0.000 1.233 471 W CB 1.333 30.677 29.460 -0.195 0.000 1.370 471 W HN -0.076 nan 8.180 nan 0.000 0.453 472 R N 2.888 123.594 120.500 0.345 0.000 2.502 472 R HA 0.541 4.881 4.340 0.000 0.000 0.300 472 R C -1.579 174.827 176.300 0.176 0.000 0.984 472 R CA -0.851 55.327 56.100 0.130 0.000 0.882 472 R CB 1.721 32.072 30.300 0.084 0.000 1.180 472 R HN 0.174 nan 8.270 nan 0.000 0.444 473 F N 2.920 122.656 119.950 -0.356 0.000 2.495 473 F HA 0.522 5.049 4.527 0.000 0.000 0.327 473 F C -0.459 175.180 175.800 -0.267 0.000 1.103 473 F CA -1.485 56.418 58.000 -0.161 0.000 0.949 473 F CB 1.246 40.118 39.000 -0.213 0.000 1.142 473 F HN 0.305 nan 8.300 nan 0.000 0.457 474 F N 1.208 121.343 119.950 0.308 0.000 2.477 474 F HA 0.651 5.178 4.527 0.000 0.000 0.335 474 F C 0.612 176.613 175.800 0.335 0.000 1.130 474 F CA -1.110 57.067 58.000 0.296 0.000 0.948 474 F CB 1.602 40.830 39.000 0.380 0.000 1.154 474 F HN 0.519 nan 8.300 nan 0.000 0.439 475 G N 2.083 111.117 108.800 0.389 0.000 2.451 475 G HA2 0.612 4.572 3.960 0.000 0.000 0.303 475 G HA3 0.612 4.572 3.960 0.000 0.000 0.303 475 G C -0.798 174.291 174.900 0.315 0.000 1.166 475 G CA -1.020 44.300 45.100 0.366 0.000 0.884 475 G HN 0.718 nan 8.290 nan 0.000 0.514 476 R N -0.758 119.927 120.500 0.308 0.000 2.457 476 R HA 0.662 5.002 4.340 0.000 0.000 0.284 476 R C -0.978 175.418 176.300 0.159 0.000 1.024 476 R CA -0.539 55.665 56.100 0.173 0.000 1.025 476 R CB 1.237 31.665 30.300 0.214 0.000 1.063 476 R HN 0.262 nan 8.270 nan 0.000 0.493 477 T N 1.920 116.529 114.554 0.092 0.000 2.809 477 T HA 0.115 4.465 4.350 0.000 0.000 0.284 477 T C -0.806 173.973 174.700 0.131 0.000 0.992 477 T CA -0.642 61.566 62.100 0.180 0.000 0.957 477 T CB 1.327 70.381 68.868 0.310 0.000 0.942 477 T HN 0.698 nan 8.240 nan 0.000 0.439 478 E N 5.005 125.287 120.200 0.138 0.000 2.417 478 E HA 0.083 4.433 4.350 0.000 0.000 0.261 478 E C -2.114 174.565 176.600 0.131 0.000 1.000 478 E CA -1.384 55.087 56.400 0.118 0.000 0.919 478 E CB 0.498 30.259 29.700 0.101 0.000 0.955 478 E HN 0.187 nan 8.360 nan 0.000 0.455 479 P HA 0.133 nan 4.420 nan 0.000 0.276 479 P C -1.254 176.193 177.300 0.245 0.000 1.243 479 P CA -0.040 63.198 63.100 0.230 0.000 0.768 479 P CB 0.766 32.630 31.700 0.275 0.000 0.856 480 K N 2.618 123.093 120.400 0.125 0.000 2.378 480 K HA 0.163 4.483 4.320 0.000 0.000 0.252 480 K C 0.968 177.378 176.600 -0.317 0.000 0.931 480 K CA -0.680 55.595 56.287 -0.019 0.000 0.794 480 K CB 2.375 34.832 32.500 -0.071 0.000 1.181 480 K HN 0.474 nan 8.250 nan 0.000 0.425 481 E N 2.304 122.147 120.200 -0.595 0.000 2.118 481 E HA -0.222 4.128 4.350 0.000 0.000 0.195 481 E C 0.966 177.304 176.600 -0.436 0.000 0.992 481 E CA 1.545 57.359 56.400 -0.976 0.000 0.804 481 E CB 0.466 29.806 29.700 -0.601 0.000 0.741 481 E HN 0.556 nan 8.360 nan 0.000 0.458 482 E N 0.349 120.399 120.200 -0.250 0.000 2.347 482 E HA -0.110 4.240 4.350 0.000 0.000 0.196 482 E C 0.002 176.536 176.600 -0.110 0.000 1.008 482 E CA 0.284 56.593 56.400 -0.152 0.000 0.852 482 E CB -0.272 29.355 29.700 -0.121 0.000 0.783 482 E HN 0.076 nan 8.360 nan 0.000 0.505 483 N N 2.024 120.646 118.700 -0.131 0.000 2.411 483 N HA 0.176 4.916 4.740 0.000 0.000 0.259 483 N C -0.746 174.823 175.510 0.099 0.000 1.103 483 N CA 0.181 53.210 53.050 -0.035 0.000 0.954 483 N CB 1.080 39.510 38.487 -0.094 0.000 1.085 483 N HN 0.121 nan 8.380 nan 0.000 0.485 484 K N 1.073 121.592 120.400 0.198 0.000 2.477 484 K HA 0.488 4.808 4.320 0.000 0.000 0.255 484 K C -1.248 175.522 176.600 0.283 0.000 0.952 484 K CA -0.911 55.516 56.287 0.232 0.000 0.826 484 K CB 2.316 34.958 32.500 0.237 0.000 1.331 484 K HN 0.157 nan 8.250 nan 0.000 0.437 485 L N 3.647 124.986 121.223 0.194 0.000 2.319 485 L HA 0.571 4.912 4.340 0.000 0.000 0.281 485 L C -1.402 175.421 176.870 -0.078 0.000 1.005 485 L CA -0.131 54.658 54.840 -0.085 0.000 0.828 485 L CB 0.576 42.604 42.059 -0.052 0.000 1.227 485 L HN 0.702 nan 8.230 nan 0.000 0.415 486 W N 3.635 124.675 121.300 -0.435 0.000 2.967 486 W HA 0.687 5.347 4.660 0.000 0.000 0.342 486 W C -2.069 174.050 176.519 -0.666 0.000 1.162 486 W CA -1.234 55.927 57.345 -0.307 0.000 1.085 486 W CB 0.889 30.297 29.460 -0.087 0.000 1.460 486 W HN 0.342 nan 8.180 nan 0.000 0.584 487 F N 1.260 121.396 119.950 0.310 0.000 2.565 487 F HA 0.366 4.893 4.527 0.000 0.000 0.313 487 F C 0.668 176.634 175.800 0.276 0.000 1.091 487 F CA -1.026 57.033 58.000 0.098 0.000 0.915 487 F CB 2.183 41.224 39.000 0.069 0.000 1.208 487 F HN 0.259 nan 8.300 nan 0.000 0.453 488 S N 0.724 116.574 115.700 0.249 0.000 2.580 488 S HA 0.113 4.583 4.470 0.000 0.000 0.274 488 S C 0.549 175.298 174.600 0.248 0.000 1.329 488 S CA -0.626 57.750 58.200 0.293 0.000 1.036 488 S CB 0.448 63.723 63.200 0.125 0.000 0.919 488 S HN 0.683 nan 8.310 nan 0.000 0.515 489 D N 2.581 123.113 120.400 0.220 0.000 2.328 489 D HA 0.153 4.793 4.640 0.000 0.000 0.221 489 D C 0.843 177.205 176.300 0.103 0.000 1.072 489 D CA 0.184 54.269 54.000 0.141 0.000 0.850 489 D CB 0.255 41.121 40.800 0.110 0.000 0.922 489 D HN 0.363 nan 8.370 nan 0.000 0.516 490 K N -0.073 120.391 120.400 0.106 0.000 2.567 490 K HA 0.145 4.465 4.320 0.000 0.000 0.199 490 K C 0.016 176.658 176.600 0.071 0.000 1.412 490 K CA 0.046 56.380 56.287 0.079 0.000 1.020 490 K CB 0.921 33.468 32.500 0.079 0.000 1.487 490 K HN -0.002 nan 8.250 nan 0.000 0.531 491 I N 3.425 124.040 120.570 0.076 0.000 2.472 491 I HA 0.185 4.355 4.170 0.000 0.000 0.290 491 I C 0.472 176.625 176.117 0.059 0.000 1.016 491 I CA -0.091 61.242 61.300 0.055 0.000 1.348 491 I CB 1.100 39.121 38.000 0.035 0.000 1.417 491 I HN 0.156 nan 8.210 nan 0.000 0.521 492 T N 0.962 115.548 114.554 0.052 0.000 2.916 492 T HA 0.568 4.918 4.350 0.000 0.000 0.292 492 T C -0.390 174.345 174.700 0.058 0.000 1.055 492 T CA -0.937 61.201 62.100 0.063 0.000 1.009 492 T CB 2.377 71.280 68.868 0.057 0.000 1.118 492 T HN 0.547 nan 8.240 nan 0.000 0.497 493 D N 0.816 121.267 120.400 0.084 0.000 2.469 493 D HA 0.461 5.102 4.640 0.000 0.000 0.278 493 D C 1.577 177.920 176.300 0.072 0.000 1.231 493 D CA -0.435 53.621 54.000 0.093 0.000 1.075 493 D CB -0.061 40.829 40.800 0.150 0.000 1.121 493 D HN 0.651 nan 8.370 nan 0.000 0.571 494 A N -1.471 121.388 122.820 0.066 0.000 2.119 494 A HA -0.078 4.242 4.320 0.000 0.000 0.217 494 A C 1.118 178.548 177.584 -0.257 0.000 1.153 494 A CA 0.714 52.697 52.037 -0.089 0.000 0.692 494 A CB -0.914 18.007 19.000 -0.131 0.000 0.799 494 A HN 0.535 nan 8.150 nan 0.000 0.458 495 Y N -0.699 119.611 120.300 0.016 0.000 2.683 495 Y HA 0.221 4.771 4.550 0.000 0.000 0.297 495 Y C 0.693 176.614 175.900 0.035 0.000 1.147 495 Y CA -0.352 57.758 58.100 0.017 0.000 1.274 495 Y CB -0.682 37.766 38.460 -0.020 0.000 1.143 495 Y HN 0.435 nan 8.280 nan 0.000 0.527 496 N N 0.001 118.768 118.700 0.111 0.000 2.696 496 N HA -0.196 4.544 4.740 0.000 0.000 0.249 496 N C -0.522 175.042 175.510 0.089 0.000 1.090 496 N CA 0.557 53.656 53.050 0.083 0.000 0.716 496 N CB -0.384 38.143 38.487 0.067 0.000 1.020 496 N HN 0.185 nan 8.380 nan 0.000 0.548 497 M N -0.438 119.227 119.600 0.108 0.000 2.573 497 M HA 0.412 4.892 4.480 0.000 0.000 0.309 497 M C -2.128 174.230 176.300 0.097 0.000 1.202 497 M CA -2.039 53.309 55.300 0.080 0.000 0.975 497 M CB 0.578 33.215 32.600 0.063 0.000 1.600 497 M HN -0.273 nan 8.290 nan 0.000 0.479 498 P HA 0.026 nan 4.420 nan 0.000 0.264 498 P C -0.719 176.740 177.300 0.264 0.000 1.193 498 P CA -0.004 63.191 63.100 0.159 0.000 0.763 498 P CB 0.274 32.066 31.700 0.154 0.000 0.810 499 Q N 7.082 126.982 119.800 0.165 0.000 2.286 499 Q HA 0.162 4.502 4.340 0.000 0.000 0.267 499 Q C -2.246 173.710 176.000 -0.072 0.000 1.028 499 Q CA -1.951 53.895 55.803 0.070 0.000 0.901 499 Q CB -0.145 28.588 28.738 -0.009 0.000 1.183 499 Q HN 0.294 nan 8.270 nan 0.000 0.392 500 P HA 0.119 nan 4.420 nan 0.000 0.271 500 P C -1.048 175.739 177.300 -0.856 0.000 1.216 500 P CA -0.164 62.464 63.100 -0.787 0.000 0.776 500 P CB 1.077 32.434 31.700 -0.572 0.000 0.881 501 T N 2.658 116.469 114.554 -1.239 0.000 2.971 501 T HA 0.492 4.842 4.350 0.000 0.000 0.304 501 T C -0.691 173.301 174.700 -1.180 0.000 1.038 501 T CA -0.109 61.275 62.100 -1.193 0.000 1.007 501 T CB 0.507 68.333 68.868 -1.736 0.000 1.055 501 T HN 0.060 nan 8.240 nan 0.000 0.451 502 F N 1.913 121.590 119.950 -0.455 0.000 2.422 502 F HA 0.540 5.067 4.527 0.000 0.000 0.333 502 F C 0.610 176.371 175.800 -0.065 0.000 1.095 502 F CA -0.954 56.909 58.000 -0.229 0.000 1.038 502 F CB 1.173 40.088 39.000 -0.140 0.000 1.156 502 F HN 0.399 nan 8.300 nan 0.000 0.483 503 D N 3.326 123.911 120.400 0.309 0.000 2.408 503 D HA 0.230 4.870 4.640 0.000 0.000 0.261 503 D C -1.776 174.663 176.300 0.231 0.000 1.190 503 D CA -0.090 54.074 54.000 0.273 0.000 0.910 503 D CB 0.332 41.328 40.800 0.326 0.000 1.097 503 D HN 0.287 nan 8.370 nan 0.000 0.522 504 F N 3.190 123.140 119.950 0.000 0.000 2.581 504 F HA 0.588 5.115 4.527 0.000 0.000 0.311 504 F C -1.209 174.486 175.800 -0.176 0.000 1.113 504 F CA -0.597 57.333 58.000 -0.117 0.000 0.935 504 F CB 1.421 40.290 39.000 -0.220 0.000 1.232 504 F HN 0.024 nan 8.300 nan 0.000 0.445 505 R N 4.340 124.290 120.500 -0.918 0.000 2.698 505 R HA 0.347 4.687 4.340 0.000 0.000 0.275 505 R C -1.652 174.035 176.300 -1.022 0.000 1.001 505 R CA -0.923 54.793 56.100 -0.640 0.000 0.896 505 R CB 1.779 31.915 30.300 -0.273 0.000 1.218 505 R HN 0.583 nan 8.270 nan 0.000 0.462 506 F N 2.806 122.561 119.950 -0.326 0.000 2.578 506 F HA 0.166 4.693 4.527 0.000 0.000 0.376 506 F C -1.317 174.365 175.800 -0.195 0.000 1.085 506 F CA -1.083 56.810 58.000 -0.179 0.000 1.260 506 F CB -0.089 38.924 39.000 0.021 0.000 1.095 506 F HN 0.138 nan 8.300 nan 0.000 0.573 507 P HA 0.103 nan 4.420 nan 0.000 0.265 507 P C -0.574 176.741 177.300 0.025 0.000 1.193 507 P CA -0.096 62.985 63.100 -0.032 0.000 0.765 507 P CB 0.523 32.221 31.700 -0.003 0.000 0.823 508 A N 3.194 126.014 122.820 -0.000 0.000 2.521 508 A HA 0.459 4.779 4.320 0.000 0.000 0.237 508 A C 1.191 178.791 177.584 0.026 0.000 1.087 508 A CA 1.006 53.049 52.037 0.010 0.000 0.777 508 A CB -1.103 17.895 19.000 -0.004 0.000 1.035 508 A HN 0.844 nan 8.150 nan 0.000 0.510 509 G N 0.037 108.854 108.800 0.028 0.000 2.481 509 G HA2 -0.239 3.721 3.960 0.000 0.000 0.230 509 G HA3 -0.239 3.721 3.960 0.000 0.000 0.230 509 G C 0.982 175.913 174.900 0.052 0.000 1.210 509 G CA 0.717 45.839 45.100 0.037 0.000 0.936 509 G HN 1.001 nan 8.290 nan 0.000 0.583 510 R N -0.282 120.255 120.500 0.062 0.000 2.113 510 R HA -0.126 4.214 4.340 0.000 0.000 0.244 510 R C 2.844 179.204 176.300 0.100 0.000 1.142 510 R CA 2.887 59.035 56.100 0.080 0.000 0.953 510 R CB -0.965 29.384 30.300 0.081 0.000 0.860 510 R HN 0.638 nan 8.270 nan 0.000 0.438 511 T N -0.017 114.600 114.554 0.106 0.000 2.720 511 T HA -0.124 4.226 4.350 0.000 0.000 0.268 511 T C 1.929 176.691 174.700 0.104 0.000 1.037 511 T CA 1.839 64.019 62.100 0.133 0.000 1.144 511 T CB -0.172 68.796 68.868 0.166 0.000 0.864 511 T HN 0.281 nan 8.240 nan 0.000 0.444 512 S N 0.429 116.174 115.700 0.075 0.000 2.371 512 S HA -0.011 4.459 4.470 0.000 0.000 0.224 512 S C 2.023 176.641 174.600 0.030 0.000 1.029 512 S CA 0.891 59.108 58.200 0.028 0.000 0.978 512 S CB -0.159 63.051 63.200 0.016 0.000 0.833 512 S HN 0.494 nan 8.310 nan 0.000 0.466 513 K N 1.317 121.750 120.400 0.054 0.000 2.057 513 K HA -0.103 4.217 4.320 0.000 0.000 0.207 513 K C 1.881 178.541 176.600 0.101 0.000 1.049 513 K CA 1.342 57.668 56.287 0.064 0.000 0.931 513 K CB -0.089 32.452 32.500 0.069 0.000 0.714 513 K HN 0.349 nan 8.250 nan 0.000 0.440 514 E N -0.063 120.220 120.200 0.140 0.000 2.106 514 E HA -0.157 4.193 4.350 0.000 0.000 0.192 514 E C 1.963 178.666 176.600 0.171 0.000 0.984 514 E CA 0.890 57.431 56.400 0.234 0.000 0.806 514 E CB -0.072 29.793 29.700 0.275 0.000 0.750 514 E HN 0.438 nan 8.360 nan 0.000 0.458 515 A N 1.383 124.271 122.820 0.113 0.000 1.902 515 A HA -0.252 4.068 4.320 0.000 0.000 0.217 515 A C 2.066 179.726 177.584 0.126 0.000 1.181 515 A CA 1.818 53.917 52.037 0.102 0.000 0.623 515 A CB -0.373 18.658 19.000 0.053 0.000 0.818 515 A HN 0.148 nan 8.150 nan 0.000 0.443 516 E N 0.502 120.760 120.200 0.096 0.000 2.072 516 E HA -0.155 4.195 4.350 0.000 0.000 0.190 516 E C 1.318 177.909 176.600 -0.014 0.000 0.982 516 E CA 1.512 57.966 56.400 0.089 0.000 0.803 516 E CB -0.288 29.437 29.700 0.042 0.000 0.755 516 E HN 0.512 nan 8.360 nan 0.000 0.453 517 D N -0.033 120.359 120.400 -0.013 0.000 2.149 517 D HA -0.193 4.447 4.640 0.000 0.000 0.198 517 D C 1.902 177.964 176.300 -0.397 0.000 0.990 517 D CA 1.209 55.185 54.000 -0.040 0.000 0.839 517 D CB -0.315 40.598 40.800 0.189 0.000 0.948 517 D HN 0.328 nan 8.370 nan 0.000 0.460 518 M N -0.266 118.886 119.600 -0.747 0.000 2.086 518 M HA -0.195 4.285 4.480 0.000 0.000 0.261 518 M C 2.083 177.956 176.300 -0.711 0.000 1.067 518 M CA 1.236 55.740 55.300 -1.327 0.000 1.116 518 M CB 0.003 32.080 32.600 -0.872 0.000 1.348 518 M HN -0.019 nan 8.290 nan 0.000 0.407 519 M N 0.257 119.567 119.600 -0.483 0.000 2.065 519 M HA -0.169 4.311 4.480 0.000 0.000 0.259 519 M C 1.791 177.873 176.300 -0.364 0.000 1.069 519 M CA 2.469 57.484 55.300 -0.475 0.000 1.110 519 M CB -1.024 31.363 32.600 -0.355 0.000 1.328 519 M HN 0.245 nan 8.290 nan 0.000 0.405 520 T N 0.145 114.559 114.554 -0.234 0.000 2.720 520 T HA -0.181 4.170 4.350 0.000 0.000 0.268 520 T C 1.484 176.108 174.700 -0.128 0.000 1.037 520 T CA 1.866 63.880 62.100 -0.143 0.000 1.144 520 T CB -0.638 68.193 68.868 -0.062 0.000 0.864 520 T HN 0.571 nan 8.240 nan 0.000 0.444 521 D N 0.484 120.808 120.400 -0.128 0.000 2.123 521 D HA -0.077 4.563 4.640 0.000 0.000 0.196 521 D C 2.064 178.362 176.300 -0.004 0.000 0.992 521 D CA 0.918 54.961 54.000 0.071 0.000 0.833 521 D CB -0.228 40.728 40.800 0.259 0.000 0.954 521 D HN 0.302 nan 8.370 nan 0.000 0.455 522 M N -0.484 118.851 119.600 -0.443 0.000 2.117 522 M HA -0.174 4.306 4.480 0.000 0.000 0.262 522 M C 1.979 177.970 176.300 -0.516 0.000 1.065 522 M CA 1.313 56.054 55.300 -0.931 0.000 1.114 522 M CB -0.157 31.600 32.600 -1.404 0.000 1.361 522 M HN 0.204 nan 8.290 nan 0.000 0.408 523 C N -0.338 118.761 119.300 -0.334 0.000 2.413 523 C HA -0.140 4.321 4.460 0.000 0.000 0.276 523 C C 2.666 177.561 174.990 -0.158 0.000 1.236 523 C CA 0.993 59.930 59.018 -0.135 0.000 1.735 523 C CB -1.113 26.603 27.740 -0.040 0.000 2.031 523 C HN 0.503 nan 8.230 nan 0.000 0.474 524 V N 0.373 120.226 119.914 -0.102 0.000 2.323 524 V HA -0.253 3.867 4.120 0.000 0.000 0.244 524 V C 2.392 178.460 176.094 -0.043 0.000 1.041 524 V CA 2.174 64.441 62.300 -0.054 0.000 1.025 524 V CB -0.626 31.218 31.823 0.035 0.000 0.656 524 V HN 0.587 nan 8.190 nan 0.000 0.451 525 M N 0.655 120.276 119.600 0.035 0.000 2.132 525 M HA -0.145 4.335 4.480 0.000 0.000 0.263 525 M C 2.429 178.618 176.300 -0.185 0.000 1.065 525 M CA 2.203 57.609 55.300 0.177 0.000 1.122 525 M CB -0.160 32.723 32.600 0.472 0.000 1.365 525 M HN 0.546 nan 8.290 nan 0.000 0.411 526 S N 0.470 115.730 115.700 -0.733 0.000 2.423 526 S HA -0.029 4.441 4.470 0.000 0.000 0.231 526 S C 1.956 176.153 174.600 -0.671 0.000 1.014 526 S CA 0.894 58.225 58.200 -1.448 0.000 0.965 526 S CB -0.789 61.270 63.200 -1.903 0.000 0.785 526 S HN 0.561 nan 8.310 nan 0.000 0.495 527 A N 2.050 124.585 122.820 -0.474 0.000 2.070 527 A HA -0.003 4.317 4.320 0.000 0.000 0.220 527 A C 2.128 179.580 177.584 -0.220 0.000 1.159 527 A CA 1.285 53.097 52.037 -0.374 0.000 0.656 527 A CB -0.531 18.277 19.000 -0.319 0.000 0.800 527 A HN 0.641 nan 8.150 nan 0.000 0.453 528 K N -0.689 119.627 120.400 -0.140 0.000 2.365 528 K HA 0.043 4.363 4.320 0.000 0.000 0.199 528 K C 1.072 177.665 176.600 -0.012 0.000 1.045 528 K CA 0.683 56.937 56.287 -0.055 0.000 0.962 528 K CB 0.032 32.536 32.500 0.007 0.000 0.759 528 K HN 0.399 nan 8.250 nan 0.000 0.469 529 I N -0.817 119.760 120.570 0.012 0.000 3.300 529 I HA 0.170 4.340 4.170 0.000 0.000 0.279 529 I C 1.098 177.228 176.117 0.021 0.000 1.172 529 I CA 0.586 61.943 61.300 0.095 0.000 1.431 529 I CB 0.089 38.298 38.000 0.348 0.000 1.240 529 I HN 0.106 nan 8.210 nan 0.000 0.453 530 G N -0.655 108.101 108.800 -0.073 0.000 2.349 530 G HA2 0.468 4.428 3.960 0.000 0.000 0.294 530 G HA3 0.468 4.428 3.960 0.000 0.000 0.294 530 G C -0.717 174.031 174.900 -0.255 0.000 1.380 530 G CA -0.134 44.897 45.100 -0.115 0.000 0.811 530 G HN 0.283 nan 8.290 nan 0.000 0.519 531 G N -1.131 107.520 108.800 -0.249 0.000 2.537 531 G HA2 0.559 4.519 3.960 0.000 0.000 0.273 531 G HA3 0.559 4.519 3.960 0.000 0.000 0.273 531 G C -0.242 174.467 174.900 -0.319 0.000 1.189 531 G CA -0.542 44.320 45.100 -0.396 0.000 0.881 531 G HN 0.454 nan 8.290 nan 0.000 0.535 532 F N -0.713 119.138 119.950 -0.166 0.000 2.553 532 F HA 0.180 4.707 4.527 0.000 0.000 0.356 532 F C 0.739 176.475 175.800 -0.107 0.000 1.142 532 F CA -0.674 57.222 58.000 -0.174 0.000 1.322 532 F CB 0.548 39.435 39.000 -0.189 0.000 1.126 532 F HN 0.185 nan 8.300 nan 0.000 0.599 533 L N 5.746 127.036 121.223 0.111 0.000 2.315 533 L HA 0.409 4.749 4.340 0.000 0.000 0.283 533 L C -2.439 174.477 176.870 0.077 0.000 1.089 533 L CA -1.823 53.060 54.840 0.071 0.000 0.833 533 L CB 0.119 42.216 42.059 0.064 0.000 1.170 533 L HN 0.285 nan 8.230 nan 0.000 0.442 534 P HA 0.175 nan 4.420 nan 0.000 0.264 534 P C 0.600 177.951 177.300 0.085 0.000 1.183 534 P CA 1.166 64.305 63.100 0.066 0.000 0.763 534 P CB 0.646 32.380 31.700 0.056 0.000 0.807 535 G N 1.967 110.812 108.800 0.075 0.000 2.217 535 G HA2 -0.230 3.730 3.960 0.000 0.000 0.246 535 G HA3 -0.230 3.730 3.960 0.000 0.000 0.246 535 G C 0.493 175.483 174.900 0.149 0.000 0.990 535 G CA 0.193 45.359 45.100 0.110 0.000 0.627 535 G HN 0.525 nan 8.290 nan 0.000 0.522 536 S N 0.704 116.463 115.700 0.099 0.000 2.526 536 S HA 0.518 4.988 4.470 0.000 0.000 0.220 536 S C 0.399 174.909 174.600 -0.151 0.000 1.159 536 S CA -0.536 57.707 58.200 0.071 0.000 1.196 536 S CB 0.287 63.500 63.200 0.022 0.000 1.225 536 S HN 0.451 nan 8.310 nan 0.000 0.432 537 L N 2.454 123.584 121.223 -0.155 0.000 2.466 537 L HA 0.397 4.737 4.340 0.000 0.000 0.257 537 L C -2.050 174.516 176.870 -0.507 0.000 1.189 537 L CA -2.351 52.261 54.840 -0.380 0.000 0.813 537 L CB 0.104 42.012 42.059 -0.251 0.000 1.118 537 L HN 0.079 nan 8.230 nan 0.000 0.471 538 P HA 0.005 nan 4.420 nan 0.000 0.264 538 P C -1.437 175.631 177.300 -0.387 0.000 1.193 538 P CA 0.129 62.825 63.100 -0.673 0.000 0.763 538 P CB 0.455 31.666 31.700 -0.815 0.000 0.810 539 Q N 1.549 121.170 119.800 -0.298 0.000 2.522 539 Q HA 0.505 4.845 4.340 0.000 0.000 0.285 539 Q C -1.484 174.389 176.000 -0.212 0.000 0.982 539 Q CA -0.880 54.837 55.803 -0.144 0.000 0.805 539 Q CB 0.785 29.514 28.738 -0.015 0.000 1.457 539 Q HN 0.117 nan 8.270 nan 0.000 0.394 540 F N 1.243 121.138 119.950 -0.092 0.000 2.384 540 F HA 0.381 4.908 4.527 0.000 0.000 0.338 540 F C 0.449 176.218 175.800 -0.051 0.000 1.103 540 F CA -0.605 57.341 58.000 -0.090 0.000 1.157 540 F CB 1.187 40.122 39.000 -0.109 0.000 1.167 540 F HN 0.380 nan 8.300 nan 0.000 0.529 541 M N 1.739 121.401 119.600 0.104 0.000 2.288 541 M HA 0.145 4.625 4.480 0.000 0.000 0.334 541 M C 0.232 176.577 176.300 0.076 0.000 1.150 541 M CA -0.699 54.628 55.300 0.046 0.000 1.118 541 M CB 0.715 33.298 32.600 -0.028 0.000 1.501 541 M HN 0.652 nan 8.290 nan 0.000 0.462 542 E N 2.970 123.189 120.200 0.033 0.000 2.481 542 E HA 0.044 4.394 4.350 0.000 0.000 0.263 542 E C -2.327 174.296 176.600 0.039 0.000 0.992 542 E CA -1.168 55.250 56.400 0.031 0.000 0.938 542 E CB 0.102 29.797 29.700 -0.008 0.000 0.933 542 E HN 0.249 nan 8.360 nan 0.000 0.453 543 P HA 0.085 nan 4.420 nan 0.000 0.267 543 P C 0.414 177.632 177.300 -0.135 0.000 1.209 543 P CA 1.127 64.260 63.100 0.054 0.000 0.763 543 P CB 0.858 32.569 31.700 0.018 0.000 0.816 544 G N 2.621 111.335 108.800 -0.143 0.000 2.234 544 G HA2 -0.326 3.634 3.960 0.000 0.000 0.235 544 G HA3 -0.326 3.634 3.960 0.000 0.000 0.235 544 G C 0.805 175.637 174.900 -0.114 0.000 0.997 544 G CA 0.199 45.169 45.100 -0.216 0.000 0.623 544 G HN 0.525 nan 8.290 nan 0.000 0.514 545 L N 1.170 122.349 121.223 -0.073 0.000 2.129 545 L HA 0.081 4.421 4.340 0.000 0.000 0.212 545 L C 2.822 179.661 176.870 -0.051 0.000 1.087 545 L CA 2.616 57.421 54.840 -0.059 0.000 0.757 545 L CB -0.343 41.681 42.059 -0.058 0.000 0.896 545 L HN 0.545 nan 8.230 nan 0.000 0.434 546 V N -0.219 119.666 119.914 -0.048 0.000 2.720 546 V HA -0.155 3.965 4.120 0.000 0.000 0.256 546 V C 1.526 177.517 176.094 -0.171 0.000 1.082 546 V CA 1.101 63.348 62.300 -0.088 0.000 1.101 546 V CB -0.357 31.448 31.823 -0.030 0.000 0.693 546 V HN 0.494 nan 8.190 nan 0.000 0.479 547 L N 0.116 121.304 121.223 -0.058 0.000 3.634 547 L HA -0.249 4.091 4.340 0.000 0.000 0.423 547 L C 0.331 177.320 176.870 0.199 0.000 1.253 547 L CA 0.901 55.763 54.840 0.037 0.000 0.885 547 L CB -2.510 39.588 42.059 0.066 0.000 1.789 547 L HN 0.566 nan 8.230 nan 0.000 0.904 548 H N -0.769 118.386 119.070 0.141 0.000 2.492 548 H HA 0.276 4.832 4.556 0.000 0.000 0.264 548 H C 0.531 175.985 175.328 0.210 0.000 1.150 548 H CA -1.091 55.084 56.048 0.212 0.000 0.962 548 H CB 0.733 30.659 29.762 0.273 0.000 1.766 548 H HN 0.210 nan 8.280 nan 0.000 0.589 549 L N 1.950 123.305 121.223 0.221 0.000 2.578 549 L HA 0.161 4.501 4.340 0.000 0.000 0.279 549 L C 0.607 177.607 176.870 0.216 0.000 1.227 549 L CA 0.821 55.742 54.840 0.135 0.000 0.900 549 L CB 0.305 42.403 42.059 0.064 0.000 1.144 549 L HN 0.280 nan 8.230 nan 0.000 0.496 550 G N 1.969 110.908 108.800 0.232 0.000 2.658 550 G HA2 0.542 4.502 3.960 0.000 0.000 0.292 550 G HA3 0.542 4.502 3.960 0.000 0.000 0.292 550 G C 0.309 175.315 174.900 0.177 0.000 1.320 550 G CA -0.307 44.957 45.100 0.273 0.000 0.933 550 G HN 1.344 nan 8.290 nan 0.000 0.476 551 G N -1.071 107.797 108.800 0.114 0.000 2.162 551 G HA2 -0.245 3.715 3.960 0.000 0.000 0.260 551 G HA3 -0.245 3.715 3.960 0.000 0.000 0.260 551 G C 1.331 176.291 174.900 0.101 0.000 0.976 551 G CA 1.573 46.743 45.100 0.116 0.000 0.655 551 G HN 1.851 nan 8.290 nan 0.000 0.533 552 T N -1.973 112.599 114.554 0.030 0.000 2.962 552 T HA 0.095 4.445 4.350 0.000 0.000 0.270 552 T C 1.089 175.877 174.700 0.147 0.000 1.088 552 T CA 1.844 64.008 62.100 0.107 0.000 1.127 552 T CB -0.301 68.647 68.868 0.134 0.000 0.883 552 T HN 1.397 nan 8.240 nan 0.000 0.493 553 H N 0.048 119.192 119.070 0.123 0.000 2.597 553 H HA 0.493 5.049 4.556 0.000 0.000 0.225 553 H C -0.045 175.328 175.328 0.074 0.000 1.422 553 H CA -1.325 54.772 56.048 0.082 0.000 1.335 553 H CB -0.191 29.582 29.762 0.017 0.000 1.783 553 H HN 0.346 nan 8.280 nan 0.000 0.513 554 R N 0.639 121.213 120.500 0.124 0.000 2.679 554 R HA 0.303 4.643 4.340 0.000 0.000 0.269 554 R C -0.347 176.008 176.300 0.093 0.000 1.076 554 R CA -0.738 55.409 56.100 0.079 0.000 1.160 554 R CB 0.951 31.293 30.300 0.071 0.000 1.054 554 R HN 0.453 nan 8.270 nan 0.000 0.507 555 M N 1.043 120.674 119.600 0.051 0.000 2.314 555 M HA 0.452 4.932 4.480 0.000 0.000 0.342 555 M C -0.530 175.764 176.300 -0.009 0.000 1.171 555 M CA 0.173 55.481 55.300 0.013 0.000 1.098 555 M CB 1.649 34.232 32.600 -0.028 0.000 1.559 555 M HN 0.942 nan 8.290 nan 0.000 0.459 556 G N 2.170 110.976 108.800 0.010 0.000 2.559 556 G HA2 0.418 4.378 3.960 0.000 0.000 0.291 556 G HA3 0.418 4.378 3.960 0.000 0.000 0.291 556 G C -0.942 173.974 174.900 0.026 0.000 1.424 556 G CA -0.694 44.368 45.100 -0.064 0.000 0.786 556 G HN 0.681 nan 8.290 nan 0.000 0.485 557 F N -0.169 119.891 119.950 0.182 0.000 2.293 557 F HA 0.263 4.790 4.527 0.000 0.000 0.297 557 F C 1.078 177.016 175.800 0.229 0.000 1.089 557 F CA 0.883 58.995 58.000 0.186 0.000 1.377 557 F CB 0.455 39.517 39.000 0.105 0.000 1.051 557 F HN 0.387 nan 8.300 nan 0.000 0.511 558 D N -0.856 119.704 120.400 0.267 0.000 2.788 558 D HA 0.124 4.764 4.640 0.000 0.000 0.247 558 D C 0.739 176.849 176.300 -0.317 0.000 1.236 558 D CA -0.230 53.758 54.000 -0.019 0.000 0.898 558 D CB 1.158 41.974 40.800 0.027 0.000 1.401 558 D HN 0.064 nan 8.370 nan 0.000 0.549 559 E N 3.173 122.804 120.200 -0.949 0.000 2.065 559 E HA -0.321 4.029 4.350 0.000 0.000 0.201 559 E C 1.370 177.766 176.600 -0.341 0.000 1.016 559 E CA 1.458 57.289 56.400 -0.949 0.000 0.818 559 E CB 0.258 29.326 29.700 -1.054 0.000 0.749 559 E HN 0.473 nan 8.360 nan 0.000 0.453 560 K N 0.098 120.355 120.400 -0.238 0.000 2.044 560 K HA -0.121 4.199 4.320 0.000 0.000 0.204 560 K C 1.948 178.508 176.600 -0.066 0.000 1.049 560 K CA 1.406 57.627 56.287 -0.110 0.000 0.945 560 K CB 0.057 32.512 32.500 -0.076 0.000 0.724 560 K HN 0.084 nan 8.250 nan 0.000 0.440 561 E N 0.154 120.321 120.200 -0.056 0.000 2.208 561 E HA -0.102 4.248 4.350 0.000 0.000 0.193 561 E C 0.639 177.232 176.600 -0.012 0.000 0.988 561 E CA 0.822 57.214 56.400 -0.014 0.000 0.828 561 E CB 0.253 29.959 29.700 0.010 0.000 0.763 561 E HN 0.344 nan 8.360 nan 0.000 0.478 562 D N 0.220 120.602 120.400 -0.030 0.000 2.395 562 D HA 0.047 4.687 4.640 0.000 0.000 0.213 562 D C -0.657 175.568 176.300 -0.125 0.000 1.110 562 D CA -0.014 53.963 54.000 -0.038 0.000 0.835 562 D CB 0.132 40.944 40.800 0.021 0.000 0.965 562 D HN 0.045 nan 8.370 nan 0.000 0.505 563 N N 0.669 119.288 118.700 -0.135 0.000 2.650 563 N HA -0.198 4.542 4.740 0.000 0.000 0.272 563 N C -0.261 175.149 175.510 -0.166 0.000 1.058 563 N CA 0.690 53.628 53.050 -0.188 0.000 0.765 563 N CB -1.448 36.796 38.487 -0.406 0.000 0.902 563 N HN 0.400 nan 8.380 nan 0.000 0.551 564 C N -3.374 115.914 119.300 -0.020 0.000 3.318 564 C HA 0.797 5.257 4.460 0.000 0.000 0.329 564 C C 1.184 176.340 174.990 0.276 0.000 1.449 564 C CA -0.601 58.484 59.018 0.112 0.000 1.397 564 C CB 1.576 29.408 27.740 0.154 0.000 1.810 564 C HN 0.507 nan 8.230 nan 0.000 0.449 565 C N 0.160 119.669 119.300 0.348 0.000 3.480 565 C HA 0.518 4.978 4.460 0.000 0.000 0.480 565 C C 0.543 175.660 174.990 0.212 0.000 1.410 565 C CA 0.629 59.847 59.018 0.333 0.000 2.172 565 C CB -0.252 27.606 27.740 0.196 0.000 3.162 565 C HN 0.980 nan 8.230 nan 0.000 0.635 566 V N 1.160 121.084 119.914 0.016 0.000 3.040 566 V HA 0.723 4.843 4.120 0.000 0.000 0.312 566 V C -0.846 174.884 176.094 -0.606 0.000 1.115 566 V CA -0.630 61.416 62.300 -0.424 0.000 0.998 566 V CB 1.572 33.268 31.823 -0.212 0.000 1.042 566 V HN 0.382 nan 8.190 nan 0.000 0.433 567 N N 0.456 118.621 118.700 -0.892 0.000 2.476 567 N HA 0.269 5.010 4.740 0.000 0.000 0.287 567 N C 1.026 176.389 175.510 -0.244 0.000 1.262 567 N CA 0.183 52.928 53.050 -0.508 0.000 0.980 567 N CB 0.059 38.263 38.487 -0.471 0.000 1.163 567 N HN 0.948 nan 8.380 nan 0.000 0.592 568 T N -4.609 109.861 114.554 -0.141 0.000 3.163 568 T HA -0.002 4.348 4.350 0.000 0.000 0.260 568 T C 0.052 174.679 174.700 -0.121 0.000 1.156 568 T CA 0.633 62.657 62.100 -0.127 0.000 1.072 568 T CB -0.437 68.387 68.868 -0.074 0.000 0.937 568 T HN 0.465 nan 8.240 nan 0.000 0.528 569 D N 0.993 121.304 120.400 -0.148 0.000 2.340 569 D HA 0.185 4.825 4.640 0.000 0.000 0.217 569 D C 0.505 176.799 176.300 -0.010 0.000 1.081 569 D CA 0.086 54.016 54.000 -0.116 0.000 0.842 569 D CB 0.181 40.796 40.800 -0.309 0.000 0.934 569 D HN 0.346 nan 8.370 nan 0.000 0.511 570 S N 0.316 115.981 115.700 -0.059 0.000 3.490 570 S HA -0.252 4.218 4.470 0.000 0.000 0.301 570 S C 0.554 175.134 174.600 -0.033 0.000 1.233 570 S CA 0.476 58.679 58.200 0.004 0.000 0.914 570 S CB -1.370 61.916 63.200 0.144 0.000 1.047 570 S HN 0.480 nan 8.310 nan 0.000 0.602 571 R N 1.080 121.433 120.500 -0.244 0.000 2.357 571 R HA 0.485 4.825 4.340 0.000 0.000 0.296 571 R C -0.070 175.920 176.300 -0.516 0.000 1.052 571 R CA -0.423 55.342 56.100 -0.557 0.000 0.988 571 R CB 0.698 30.621 30.300 -0.629 0.000 1.025 571 R HN 0.127 nan 8.270 nan 0.000 0.469 572 V N 6.145 125.798 119.914 -0.436 0.000 2.529 572 V HA 0.018 4.138 4.120 0.000 0.000 0.292 572 V C 0.066 176.109 176.094 -0.084 0.000 1.028 572 V CA 0.170 62.307 62.300 -0.273 0.000 1.074 572 V CB -0.058 31.584 31.823 -0.301 0.000 0.958 572 V HN 0.580 nan 8.190 nan 0.000 0.481 573 F N 4.241 124.231 119.950 0.067 0.000 2.604 573 F HA 0.358 4.885 4.527 0.000 0.000 0.393 573 F C 1.538 177.478 175.800 0.234 0.000 1.043 573 F CA 1.576 59.643 58.000 0.112 0.000 1.227 573 F CB -0.133 38.924 39.000 0.095 0.000 1.016 573 F HN 0.789 nan 8.300 nan 0.000 0.556 574 G N 2.224 111.218 108.800 0.324 0.000 2.213 574 G HA2 -0.270 3.691 3.960 0.000 0.000 0.236 574 G HA3 -0.270 3.691 3.960 0.000 0.000 0.236 574 G C -0.214 174.670 174.900 -0.026 0.000 0.991 574 G CA -0.648 44.546 45.100 0.156 0.000 0.629 574 G HN 0.428 nan 8.290 nan 0.000 0.517 575 F N 1.315 121.288 119.950 0.038 0.000 2.444 575 F HA 0.575 5.102 4.527 0.000 0.000 0.342 575 F C 1.448 177.237 175.800 -0.019 0.000 1.121 575 F CA -1.038 56.971 58.000 0.014 0.000 0.997 575 F CB 1.684 40.688 39.000 0.007 0.000 1.130 575 F HN -0.214 nan 8.300 nan 0.000 0.454 576 K N 1.516 122.015 120.400 0.165 0.000 2.217 576 K HA -0.058 4.262 4.320 0.000 0.000 0.202 576 K C 0.630 177.437 176.600 0.346 0.000 1.051 576 K CA 0.982 57.406 56.287 0.228 0.000 0.952 576 K CB 0.001 32.642 32.500 0.234 0.000 0.736 576 K HN 0.629 nan 8.250 nan 0.000 0.453 577 N N 0.207 119.073 118.700 0.277 0.000 2.387 577 N HA 0.046 4.787 4.740 0.000 0.000 0.259 577 N C -0.765 174.840 175.510 0.158 0.000 1.369 577 N CA -0.346 52.912 53.050 0.346 0.000 0.867 577 N CB -0.017 38.740 38.487 0.450 0.000 1.341 577 N HN -0.039 nan 8.380 nan 0.000 0.495 578 L N 0.600 121.689 121.223 -0.225 0.000 2.356 578 L HA 0.716 5.056 4.340 0.000 0.000 0.277 578 L C -1.891 174.615 176.870 -0.607 0.000 0.996 578 L CA -0.618 54.082 54.840 -0.234 0.000 0.822 578 L CB 0.985 42.896 42.059 -0.247 0.000 1.256 578 L HN -0.016 nan 8.230 nan 0.000 0.413 579 F N 5.047 124.913 119.950 -0.140 0.000 2.565 579 F HA 0.661 5.188 4.527 0.000 0.000 0.313 579 F C -0.655 174.996 175.800 -0.247 0.000 1.091 579 F CA -0.639 57.264 58.000 -0.161 0.000 0.915 579 F CB 1.908 40.848 39.000 -0.099 0.000 1.208 579 F HN 0.208 nan 8.300 nan 0.000 0.453 580 L N 2.065 123.249 121.223 -0.064 0.000 2.346 580 L HA 0.917 5.257 4.340 0.000 0.000 0.274 580 L C 0.076 176.948 176.870 0.003 0.000 1.007 580 L CA -0.867 53.861 54.840 -0.186 0.000 0.818 580 L CB 1.991 43.793 42.059 -0.429 0.000 1.284 580 L HN 0.778 nan 8.230 nan 0.000 0.424 581 G N 0.159 108.969 108.800 0.018 0.000 2.524 581 G HA2 0.802 4.762 3.960 0.000 0.000 0.310 581 G HA3 0.802 4.762 3.960 0.000 0.000 0.310 581 G C -0.564 174.455 174.900 0.198 0.000 1.279 581 G CA -0.350 44.870 45.100 0.199 0.000 0.974 581 G HN 0.966 nan 8.290 nan 0.000 0.484 582 G N -1.329 107.582 108.800 0.184 0.000 2.347 582 G HA2 0.098 4.058 3.960 0.000 0.000 0.477 582 G HA3 0.098 4.058 3.960 0.000 0.000 0.477 582 G C 0.698 175.650 174.900 0.086 0.000 1.349 582 G CA 0.043 45.228 45.100 0.142 0.000 1.000 582 G HN 1.123 nan 8.290 nan 0.000 0.605 583 C N 0.566 119.897 119.300 0.051 0.000 2.419 583 C HA 0.155 4.615 4.460 0.000 0.000 0.283 583 C C 3.067 178.037 174.990 -0.034 0.000 1.373 583 C CA 1.870 60.899 59.018 0.019 0.000 1.781 583 C CB -1.365 26.424 27.740 0.081 0.000 1.886 583 C HN 1.274 nan 8.230 nan 0.000 0.520 584 G N 1.354 110.052 108.800 -0.169 0.000 2.475 584 G HA2 -0.252 3.708 3.960 0.000 0.000 0.220 584 G HA3 -0.252 3.708 3.960 0.000 0.000 0.220 584 G C 1.418 175.935 174.900 -0.638 0.000 1.125 584 G CA 0.958 45.663 45.100 -0.659 0.000 0.755 584 G HN 0.573 nan 8.290 nan 0.000 0.565 585 N N 0.375 118.920 118.700 -0.258 0.000 2.396 585 N HA 0.008 4.748 4.740 0.000 0.000 0.180 585 N C 0.891 176.405 175.510 0.007 0.000 1.028 585 N CA 0.210 53.253 53.050 -0.012 0.000 0.893 585 N CB 0.012 38.551 38.487 0.086 0.000 0.967 585 N HN 0.314 nan 8.380 nan 0.000 0.440 586 I N 3.132 123.709 120.570 0.012 0.000 2.505 586 I HA 0.032 4.202 4.170 0.000 0.000 0.287 586 I C -1.309 174.898 176.117 0.150 0.000 1.104 586 I CA -1.017 60.322 61.300 0.066 0.000 1.387 586 I CB 1.243 39.227 38.000 -0.027 0.000 1.404 586 I HN -0.057 nan 8.210 nan 0.000 0.528 587 P HA 0.056 nan 4.420 nan 0.000 0.267 587 P C 0.282 177.674 177.300 0.153 0.000 1.289 587 P CA 0.216 63.387 63.100 0.119 0.000 0.866 587 P CB 0.175 31.903 31.700 0.046 0.000 1.309 588 T N -2.042 112.637 114.554 0.207 0.000 2.849 588 T HA 0.661 5.011 4.350 0.000 0.000 0.276 588 T C 0.260 175.094 174.700 0.223 0.000 0.971 588 T CA -0.841 61.368 62.100 0.182 0.000 0.949 588 T CB 0.926 69.880 68.868 0.143 0.000 1.093 588 T HN 0.055 nan 8.240 nan 0.000 0.545 589 A N 1.674 124.560 122.820 0.111 0.000 2.310 589 A HA 0.597 4.917 4.320 0.000 0.000 0.300 589 A C -0.644 176.910 177.584 -0.051 0.000 1.269 589 A CA -0.861 51.189 52.037 0.021 0.000 0.909 589 A CB -0.947 18.087 19.000 0.057 0.000 1.144 589 A HN 0.851 nan 8.150 nan 0.000 0.540 590 Y N -0.307 119.896 120.300 -0.161 0.000 2.462 590 Y HA 0.712 5.262 4.550 0.000 0.000 0.346 590 Y C 0.735 176.507 175.900 -0.214 0.000 0.976 590 Y CA -0.708 57.102 58.100 -0.483 0.000 1.044 590 Y CB 1.485 39.398 38.460 -0.912 0.000 1.230 590 Y HN 0.374 nan 8.280 nan 0.000 0.455 591 G N 0.686 109.418 108.800 -0.114 0.000 2.709 591 G HA2 0.389 4.349 3.960 0.000 0.000 0.208 591 G HA3 0.389 4.349 3.960 0.000 0.000 0.208 591 G C 0.419 175.427 174.900 0.179 0.000 1.129 591 G CA 0.180 45.411 45.100 0.218 0.000 0.793 591 G HN 0.948 nan 8.290 nan 0.000 0.524 592 A N 0.765 123.518 122.820 -0.112 0.000 2.366 592 A HA 0.483 4.803 4.320 0.000 0.000 0.249 592 A C -0.046 177.435 177.584 -0.172 0.000 1.084 592 A CA -0.520 51.336 52.037 -0.302 0.000 0.794 592 A CB 0.084 18.904 19.000 -0.301 0.000 1.034 592 A HN 0.352 nan 8.150 nan 0.000 0.491 593 N N 2.005 120.452 118.700 -0.423 0.000 2.454 593 N HA 0.227 4.967 4.740 0.000 0.000 0.260 593 N C -1.976 173.436 175.510 -0.162 0.000 1.218 593 N CA -0.845 51.930 53.050 -0.458 0.000 0.904 593 N CB 0.424 38.719 38.487 -0.320 0.000 1.065 593 N HN 0.427 nan 8.380 nan 0.000 0.462 594 P HA -0.012 nan 4.420 nan 0.000 0.240 594 P C 0.465 177.667 177.300 -0.164 0.000 1.190 594 P CA 0.690 63.702 63.100 -0.148 0.000 0.781 594 P CB 0.326 31.946 31.700 -0.133 0.000 0.931 595 T N 0.901 115.436 114.554 -0.032 0.000 2.746 595 T HA -0.122 4.228 4.350 0.000 0.000 0.267 595 T C 1.773 176.563 174.700 0.150 0.000 1.039 595 T CA 0.959 63.100 62.100 0.069 0.000 1.142 595 T CB -0.777 68.154 68.868 0.106 0.000 0.866 595 T HN 0.019 nan 8.240 nan 0.000 0.444 596 L N 1.063 122.387 121.223 0.167 0.000 2.046 596 L HA -0.097 4.243 4.340 0.000 0.000 0.208 596 L C 2.536 179.487 176.870 0.134 0.000 1.077 596 L CA 1.789 56.785 54.840 0.260 0.000 0.747 596 L CB -1.065 41.131 42.059 0.229 0.000 0.896 596 L HN 0.177 nan 8.230 nan 0.000 0.432 597 T N -0.293 114.204 114.554 -0.096 0.000 2.746 597 T HA -0.159 4.191 4.350 0.000 0.000 0.267 597 T C 1.910 176.517 174.700 -0.155 0.000 1.039 597 T CA 1.289 63.221 62.100 -0.281 0.000 1.142 597 T CB -0.529 67.694 68.868 -1.075 0.000 0.866 597 T HN 0.529 nan 8.240 nan 0.000 0.444 598 A N 1.520 124.257 122.820 -0.139 0.000 1.908 598 A HA -0.115 4.205 4.320 0.000 0.000 0.218 598 A C 2.319 179.879 177.584 -0.041 0.000 1.181 598 A CA 1.943 53.946 52.037 -0.058 0.000 0.627 598 A CB -0.775 18.214 19.000 -0.018 0.000 0.818 598 A HN 0.520 nan 8.150 nan 0.000 0.445 599 M N -0.209 119.380 119.600 -0.019 0.000 2.108 599 M HA -0.165 4.315 4.480 0.000 0.000 0.261 599 M C 2.192 178.414 176.300 -0.130 0.000 1.066 599 M CA 2.157 57.419 55.300 -0.064 0.000 1.107 599 M CB -0.175 32.394 32.600 -0.051 0.000 1.356 599 M HN 0.408 nan 8.290 nan 0.000 0.406 600 S N 1.078 116.698 115.700 -0.133 0.000 2.370 600 S HA -0.147 4.324 4.470 0.000 0.000 0.226 600 S C 1.747 176.154 174.600 -0.321 0.000 1.033 600 S CA 1.459 59.508 58.200 -0.251 0.000 1.011 600 S CB -0.574 62.422 63.200 -0.340 0.000 0.852 600 S HN 0.514 nan 8.310 nan 0.000 0.457 601 L N 1.069 122.142 121.223 -0.249 0.000 2.083 601 L HA -0.125 4.215 4.340 0.000 0.000 0.209 601 L C 2.794 179.531 176.870 -0.221 0.000 1.083 601 L CA 1.134 55.830 54.840 -0.240 0.000 0.752 601 L CB -0.731 41.260 42.059 -0.112 0.000 0.899 601 L HN 0.329 nan 8.230 nan 0.000 0.433 602 A N 0.422 123.110 122.820 -0.220 0.000 1.902 602 A HA -0.167 4.153 4.320 0.000 0.000 0.217 602 A C 2.221 179.475 177.584 -0.550 0.000 1.181 602 A CA 1.417 53.207 52.037 -0.411 0.000 0.623 602 A CB -0.618 18.164 19.000 -0.364 0.000 0.818 602 A HN 0.338 nan 8.150 nan 0.000 0.443 603 I N -0.487 119.862 120.570 -0.368 0.000 2.163 603 I HA -0.299 3.871 4.170 0.000 0.000 0.243 603 I C 2.561 178.508 176.117 -0.283 0.000 1.085 603 I CA 1.965 63.083 61.300 -0.305 0.000 1.347 603 I CB -0.262 37.590 38.000 -0.248 0.000 1.044 603 I HN 0.381 nan 8.210 nan 0.000 0.408 604 K N 0.529 120.759 120.400 -0.284 0.000 2.032 604 K HA -0.223 4.097 4.320 0.000 0.000 0.209 604 K C 2.379 178.884 176.600 -0.158 0.000 1.048 604 K CA 1.810 57.959 56.287 -0.229 0.000 0.927 604 K CB -0.146 32.185 32.500 -0.281 0.000 0.712 604 K HN 0.113 nan 8.250 nan 0.000 0.441 605 S N 0.212 115.802 115.700 -0.183 0.000 2.368 605 S HA -0.226 4.244 4.470 0.000 0.000 0.226 605 S C 2.083 176.570 174.600 -0.188 0.000 1.044 605 S CA 1.705 59.831 58.200 -0.124 0.000 1.062 605 S CB -0.574 62.580 63.200 -0.077 0.000 0.931 605 S HN 0.582 nan 8.310 nan 0.000 0.440 606 C N 1.176 120.259 119.300 -0.362 0.000 2.411 606 C HA -0.040 4.420 4.460 0.000 0.000 0.279 606 C C 2.532 177.426 174.990 -0.161 0.000 1.288 606 C CA 0.817 59.649 59.018 -0.310 0.000 1.764 606 C CB -1.565 25.956 27.740 -0.365 0.000 1.974 606 C HN 0.680 nan 8.230 nan 0.000 0.498 607 E N -0.728 119.404 120.200 -0.113 0.000 2.077 607 E HA -0.244 4.106 4.350 0.000 0.000 0.193 607 E C 1.856 178.463 176.600 0.013 0.000 0.989 607 E CA 1.466 57.836 56.400 -0.049 0.000 0.800 607 E CB -0.290 29.379 29.700 -0.052 0.000 0.746 607 E HN 0.824 nan 8.360 nan 0.000 0.452 608 Y N 1.056 121.319 120.300 -0.061 0.000 2.145 608 Y HA -0.227 4.323 4.550 0.000 0.000 0.286 608 Y C 1.938 177.867 175.900 0.048 0.000 1.145 608 Y CA 1.611 59.721 58.100 0.017 0.000 1.148 608 Y CB -0.088 38.420 38.460 0.081 0.000 0.981 608 Y HN -0.024 nan 8.280 nan 0.000 0.507 609 I N 0.240 120.844 120.570 0.056 0.000 2.286 609 I HA -0.325 3.845 4.170 0.000 0.000 0.248 609 I C 2.245 178.395 176.117 0.054 0.000 1.115 609 I CA 1.616 62.913 61.300 -0.005 0.000 1.392 609 I CB -0.391 37.374 38.000 -0.391 0.000 1.065 609 I HN 0.198 nan 8.210 nan 0.000 0.418 610 K N 0.350 120.744 120.400 -0.011 0.000 2.217 610 K HA -0.146 4.175 4.320 0.000 0.000 0.202 610 K C 1.920 178.559 176.600 0.064 0.000 1.051 610 K CA 0.983 57.333 56.287 0.105 0.000 0.952 610 K CB -0.069 32.475 32.500 0.074 0.000 0.736 610 K HN 0.422 nan 8.250 nan 0.000 0.453 611 Q N -0.085 119.682 119.800 -0.054 0.000 2.451 611 Q HA 0.047 4.387 4.340 0.000 0.000 0.206 611 Q C 0.721 176.608 176.000 -0.189 0.000 0.947 611 Q CA 0.506 56.242 55.803 -0.111 0.000 0.937 611 Q CB 0.378 29.037 28.738 -0.132 0.000 1.025 611 Q HN 0.299 nan 8.270 nan 0.000 0.511 612 N N -1.167 117.406 118.700 -0.212 0.000 2.082 612 N HA 0.147 4.887 4.740 0.000 0.000 0.228 612 N C -0.986 174.148 175.510 -0.628 0.000 1.341 612 N CA 0.177 52.971 53.050 -0.427 0.000 0.873 612 N CB 1.076 39.151 38.487 -0.686 0.000 1.137 612 N HN -0.020 nan 8.380 nan 0.000 0.505 613 F N 0.645 120.621 119.950 0.043 0.000 2.588 613 F HA 0.373 4.900 4.527 0.000 0.000 0.310 613 F C -0.018 175.911 175.800 0.214 0.000 1.082 613 F CA -0.656 57.431 58.000 0.144 0.000 0.929 613 F CB 1.946 41.047 39.000 0.167 0.000 1.254 613 F HN -0.357 nan 8.300 nan 0.000 0.455 614 T N 3.000 117.719 114.554 0.275 0.000 2.771 614 T HA 0.433 4.783 4.350 0.000 0.000 0.281 614 T C -2.672 172.024 174.700 -0.006 0.000 0.982 614 T CA -1.573 60.573 62.100 0.078 0.000 0.978 614 T CB 1.319 70.200 68.868 0.022 0.000 0.930 614 T HN 0.112 nan 8.240 nan 0.000 0.447 615 P HA 0.133 nan 4.420 nan 0.000 0.266 615 P C 0.098 177.305 177.300 -0.156 0.000 1.195 615 P CA -0.369 62.447 63.100 -0.474 0.000 0.768 615 P CB 0.297 31.561 31.700 -0.728 0.000 0.838 616 S N 3.791 119.449 115.700 -0.069 0.000 2.573 616 S HA 0.234 4.704 4.470 0.000 0.000 0.277 616 S C -1.975 172.616 174.600 -0.015 0.000 1.346 616 S CA -0.946 57.242 58.200 -0.020 0.000 1.034 616 S CB -0.737 62.462 63.200 -0.002 0.000 0.879 616 S HN 0.328 nan 8.310 nan 0.000 0.528 617 P HA 0.140 nan 4.420 nan 0.000 0.275 617 P C -0.668 176.719 177.300 0.145 0.000 1.227 617 P CA -0.478 62.656 63.100 0.056 0.000 0.781 617 P CB 0.202 31.926 31.700 0.040 0.000 0.906 618 F N 3.285 123.218 119.950 -0.028 0.000 2.651 618 F HA 0.167 4.694 4.527 0.000 0.000 0.347 618 F C 0.593 176.384 175.800 -0.015 0.000 1.284 618 F CA -0.321 57.668 58.000 -0.018 0.000 1.175 618 F CB -1.099 37.892 39.000 -0.015 0.000 1.542 618 F HN 0.158 nan 8.300 nan 0.000 0.661 619 T N 0.000 114.726 114.554 0.287 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.177 62.100 0.128 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