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 3nqb_1_A DATA FIRST_RESID 9 DATA SEQUENCE EPADLNDDTL RARAVAAARG DQRFDVLITG GTLVDVVTGE LRPADIGIVG DATA SEQUENCE ALIASVHEPA SRRDAAQVID AGGAYVSPGL IDTHXHIESS XITPAAYAAA DATA SEQUENCE VVARGVTTIV WDPHEFGNVH GVDGVRWAAK AIENLPLRAI LLAPSCVPSA DATA SEQUENCE PGLERGGADF DAAILADLLS WPEIGGIAEI XNXRGVIERD PRXSGIVQAG DATA SEQUENCE LAAEKLVCGH ARGLKNADLN AFXAAGVSSD HELVSGEDLX AKLRAGLTIE DATA SEQUENCE LRGSHDHLLP EFVAALNTLG HLPQTVTLCT DDVFPDDLLQ GGGLDDVVRR DATA SEQUENCE LVRYGLKPEW ALRAATLNAA QRLGRSDLGL IAAGRRADIV VFEDLNGFSA DATA SEQUENCE RHVLASGRAV AEGGRXLVDI PTCDTTVLKG SXKLPLRXAN DFLVKSQGAK DATA SEQUENCE VRLATIDRPR FTQWGETEAD VKDGFVVPPE GATXISVTHR HGXAEPTTKT DATA SEQUENCE GFLTGWGRWN GAFATTVSHD SHNLTVFGGN AGDXALAANA VIGTGGGXAV DATA SEQUENCE ASEGKVTAIL PLPLSGLVSD APLEEVARAF EDLREAVGKV VEWQPPYLVF DATA SEQUENCE KACFGATLAC NIGPHQTDXG IADVLTGKVX ESPVIEV 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 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.609 176.600 0.015 0.000 1.382 9 E CA 0.000 56.408 56.400 0.013 0.000 0.976 9 E CB 0.000 29.710 29.700 0.016 0.000 0.812 10 P HA 0.246 nan 4.420 nan 0.000 0.266 10 P C 0.613 177.920 177.300 0.011 0.000 1.561 10 P CA -0.047 63.061 63.100 0.013 0.000 1.089 10 P CB 0.365 32.074 31.700 0.014 0.000 1.534 11 A N 1.920 124.746 122.820 0.010 0.000 2.125 11 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 11 A C 1.894 179.483 177.584 0.008 0.000 1.156 11 A CA 1.605 53.647 52.037 0.008 0.000 0.671 11 A CB -0.678 18.326 19.000 0.006 0.000 0.794 11 A HN 0.375 nan 8.150 nan 0.000 0.459 12 D N -0.474 119.931 120.400 0.008 0.000 2.269 12 D HA -0.095 4.545 4.640 -0.001 0.000 0.208 12 D C 1.354 177.660 176.300 0.010 0.000 0.963 12 D CA 0.631 54.636 54.000 0.008 0.000 0.864 12 D CB -0.325 40.479 40.800 0.007 0.000 0.936 12 D HN 0.323 nan 8.370 nan 0.000 0.505 13 L N 0.472 121.702 121.223 0.012 0.000 2.492 13 L HA 0.095 4.434 4.340 -0.001 0.000 0.223 13 L C 1.117 177.995 176.870 0.014 0.000 1.132 13 L CA 0.703 55.552 54.840 0.014 0.000 0.850 13 L CB -0.396 41.672 42.059 0.015 0.000 0.966 13 L HN -0.048 nan 8.230 nan 0.000 0.454 14 N N -1.186 117.521 118.700 0.011 0.000 2.205 14 N HA 0.006 4.746 4.740 -0.001 0.000 0.201 14 N C -0.009 175.506 175.510 0.009 0.000 1.128 14 N CA -0.052 53.004 53.050 0.011 0.000 0.867 14 N CB 0.049 38.542 38.487 0.009 0.000 0.996 14 N HN 0.247 nan 8.380 nan 0.000 0.503 15 D N 0.622 121.027 120.400 0.008 0.000 2.493 15 D HA -0.073 4.567 4.640 -0.001 0.000 0.240 15 D C 1.082 177.386 176.300 0.007 0.000 1.142 15 D CA 0.175 54.179 54.000 0.007 0.000 0.872 15 D CB 0.875 41.678 40.800 0.006 0.000 1.173 15 D HN 0.018 nan 8.370 nan 0.000 0.467 16 D N 1.841 122.244 120.400 0.005 0.000 2.097 16 D HA -0.175 4.464 4.640 -0.001 0.000 0.195 16 D C 1.453 177.755 176.300 0.004 0.000 0.989 16 D CA 1.740 55.743 54.000 0.004 0.000 0.827 16 D CB 0.117 40.919 40.800 0.002 0.000 0.966 16 D HN 0.498 nan 8.370 nan 0.000 0.456 17 T N 0.187 114.743 114.554 0.003 0.000 2.746 17 T HA -0.143 4.207 4.350 -0.001 0.000 0.267 17 T C 1.831 176.533 174.700 0.004 0.000 1.039 17 T CA 1.181 63.282 62.100 0.001 0.000 1.142 17 T CB -0.378 68.490 68.868 0.000 0.000 0.866 17 T HN 0.154 nan 8.240 nan 0.000 0.444 18 L N 1.014 122.242 121.223 0.007 0.000 2.072 18 L HA 0.058 4.398 4.340 -0.001 0.000 0.205 18 L C 2.472 179.352 176.870 0.017 0.000 1.079 18 L CA 1.542 56.390 54.840 0.013 0.000 0.752 18 L CB -0.333 41.735 42.059 0.015 0.000 0.906 18 L HN -0.069 nan 8.230 nan 0.000 0.436 19 R N 0.297 120.806 120.500 0.015 0.000 2.083 19 R HA -0.099 4.240 4.340 -0.001 0.000 0.237 19 R C 2.246 178.554 176.300 0.013 0.000 1.137 19 R CA 1.480 57.590 56.100 0.017 0.000 0.951 19 R CB -1.357 28.951 30.300 0.014 0.000 0.851 19 R HN 0.552 nan 8.270 nan 0.000 0.434 20 A N 1.128 123.952 122.820 0.006 0.000 1.908 20 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 20 A C 2.305 179.886 177.584 -0.005 0.000 1.181 20 A CA 1.666 53.703 52.037 -0.000 0.000 0.627 20 A CB -0.465 18.532 19.000 -0.004 0.000 0.818 20 A HN 0.264 nan 8.150 nan 0.000 0.445 21 R N -0.605 119.893 120.500 -0.003 0.000 2.092 21 R HA -0.017 4.323 4.340 -0.001 0.000 0.231 21 R C 2.286 178.583 176.300 -0.004 0.000 1.119 21 R CA 1.299 57.392 56.100 -0.011 0.000 0.970 21 R CB -0.367 29.929 30.300 -0.007 0.000 0.864 21 R HN 0.443 nan 8.270 nan 0.000 0.440 22 A N 0.103 122.936 122.820 0.023 0.000 1.902 22 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 22 A C 2.211 179.826 177.584 0.052 0.000 1.181 22 A CA 1.512 53.583 52.037 0.057 0.000 0.623 22 A CB -0.538 18.501 19.000 0.065 0.000 0.818 22 A HN 0.209 nan 8.150 nan 0.000 0.443 23 V N -0.098 119.833 119.914 0.029 0.000 2.343 23 V HA -0.254 3.865 4.120 -0.001 0.000 0.247 23 V C 3.048 179.138 176.094 -0.005 0.000 1.051 23 V CA 1.972 64.285 62.300 0.022 0.000 1.036 23 V CB -1.215 30.617 31.823 0.014 0.000 0.654 23 V HN 0.614 nan 8.190 nan 0.000 0.451 24 A N -0.110 122.692 122.820 -0.029 0.000 1.933 24 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 24 A C 2.418 179.932 177.584 -0.118 0.000 1.175 24 A CA 1.968 53.968 52.037 -0.061 0.000 0.628 24 A CB -0.716 18.248 19.000 -0.061 0.000 0.814 24 A HN 0.563 nan 8.150 nan 0.000 0.444 25 A N -0.044 122.682 122.820 -0.156 0.000 1.902 25 A HA 0.162 4.481 4.320 -0.001 0.000 0.217 25 A C 2.510 179.921 177.584 -0.288 0.000 1.181 25 A CA 2.052 53.860 52.037 -0.381 0.000 0.623 25 A CB -1.035 17.655 19.000 -0.516 0.000 0.818 25 A HN 1.049 nan 8.150 nan 0.000 0.443 26 A N -0.368 122.454 122.820 0.004 0.000 1.883 26 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 26 A C 2.229 179.840 177.584 0.046 0.000 1.186 26 A CA 1.883 54.003 52.037 0.138 0.000 0.624 26 A CB -0.508 18.573 19.000 0.134 0.000 0.822 26 A HN 0.521 nan 8.150 nan 0.000 0.444 27 R N -1.604 118.890 120.500 -0.010 0.000 2.105 27 R HA -0.051 4.289 4.340 -0.001 0.000 0.239 27 R C 1.416 177.683 176.300 -0.054 0.000 1.135 27 R CA 1.461 57.546 56.100 -0.025 0.000 0.967 27 R CB -0.241 30.038 30.300 -0.034 0.000 0.861 27 R HN 0.857 nan 8.270 nan 0.000 0.442 28 G N -1.172 107.562 108.800 -0.110 0.000 2.168 28 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.197 28 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.197 28 G C 0.132 174.952 174.900 -0.133 0.000 0.997 28 G CA 0.255 45.274 45.100 -0.136 0.000 0.658 28 G HN 0.333 nan 8.290 nan 0.000 0.513 29 D N 0.265 120.590 120.400 -0.125 0.000 2.213 29 D HA 0.145 4.784 4.640 -0.001 0.000 0.205 29 D C 1.426 177.650 176.300 -0.126 0.000 0.961 29 D CA 1.067 55.005 54.000 -0.103 0.000 0.853 29 D CB 0.295 41.050 40.800 -0.074 0.000 0.967 29 D HN 0.622 nan 8.370 nan 0.000 0.496 30 Q N -0.198 119.493 119.800 -0.182 0.000 2.458 30 Q HA 0.461 4.801 4.340 -0.001 0.000 0.282 30 Q C -0.289 175.515 176.000 -0.326 0.000 1.106 30 Q CA -0.985 54.702 55.803 -0.193 0.000 0.814 30 Q CB 2.696 31.345 28.738 -0.149 0.000 1.425 30 Q HN 0.036 nan 8.270 nan 0.000 0.437 31 R N -0.290 120.050 120.500 -0.267 0.000 2.577 31 R HA 0.445 4.785 4.340 -0.001 0.000 0.269 31 R C -0.827 175.248 176.300 -0.375 0.000 1.084 31 R CA -0.506 55.408 56.100 -0.310 0.000 1.163 31 R CB 0.351 30.581 30.300 -0.117 0.000 1.100 31 R HN 0.260 nan 8.270 nan 0.000 0.547 32 F N 0.463 120.413 119.950 -0.000 0.000 2.403 32 F HA 0.084 4.610 4.527 -0.001 0.000 0.320 32 F C 1.428 177.229 175.800 0.001 0.000 1.176 32 F CA -0.245 57.759 58.000 0.007 0.000 1.206 32 F CB 0.375 39.389 39.000 0.023 0.000 1.235 32 F HN 0.581 nan 8.300 nan 0.000 0.565 33 D N 0.046 120.571 120.400 0.208 0.000 2.194 33 D HA 0.020 4.660 4.640 -0.001 0.000 0.204 33 D C -0.064 176.298 176.300 0.102 0.000 0.964 33 D CA 1.308 55.375 54.000 0.111 0.000 0.846 33 D CB 0.258 41.104 40.800 0.076 0.000 0.962 33 D HN 0.048 nan 8.370 nan 0.000 0.490 34 V N 0.935 120.923 119.914 0.124 0.000 2.851 34 V HA 0.345 4.464 4.120 -0.001 0.000 0.307 34 V C -0.659 175.437 176.094 0.004 0.000 1.129 34 V CA -0.742 61.583 62.300 0.042 0.000 0.932 34 V CB 2.974 34.790 31.823 -0.011 0.000 1.024 34 V HN -0.105 nan 8.190 nan 0.000 0.426 35 L N 4.902 126.111 121.223 -0.024 0.000 2.362 35 L HA 0.634 4.974 4.340 -0.001 0.000 0.275 35 L C -0.909 175.893 176.870 -0.114 0.000 0.998 35 L CA -0.450 54.335 54.840 -0.093 0.000 0.820 35 L CB 1.955 44.016 42.059 0.004 0.000 1.270 35 L HN 0.529 nan 8.230 nan 0.000 0.415 36 I N 3.005 123.481 120.570 -0.157 0.000 2.330 36 I HA 0.317 4.486 4.170 -0.001 0.000 0.289 36 I C -0.094 175.945 176.117 -0.130 0.000 1.001 36 I CA -0.296 60.915 61.300 -0.150 0.000 1.193 36 I CB 1.691 39.597 38.000 -0.157 0.000 1.345 36 I HN 0.539 nan 8.210 nan 0.000 0.461 37 T N 0.981 115.478 114.554 -0.095 0.000 2.856 37 T HA 0.652 5.002 4.350 -0.001 0.000 0.283 37 T C 0.710 175.374 174.700 -0.060 0.000 1.008 37 T CA -0.139 61.921 62.100 -0.066 0.000 0.997 37 T CB 1.903 70.751 68.868 -0.033 0.000 0.992 37 T HN 0.958 nan 8.240 nan 0.000 0.454 38 G N 1.286 110.050 108.800 -0.060 0.000 2.157 38 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.239 38 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.239 38 G C 0.433 175.284 174.900 -0.083 0.000 0.982 38 G CA -0.133 44.934 45.100 -0.056 0.000 0.650 38 G HN 1.300 nan 8.290 nan 0.000 0.527 39 G N -0.856 107.886 108.800 -0.096 0.000 2.528 39 G HA2 0.580 4.540 3.960 -0.001 0.000 0.289 39 G HA3 0.580 4.540 3.960 -0.001 0.000 0.289 39 G C -0.090 174.719 174.900 -0.152 0.000 1.192 39 G CA 0.412 45.436 45.100 -0.127 0.000 0.921 39 G HN 0.532 nan 8.290 nan 0.000 0.512 40 T N 1.154 115.564 114.554 -0.240 0.000 2.733 40 T HA 0.267 4.617 4.350 -0.001 0.000 0.294 40 T C -0.022 174.665 174.700 -0.021 0.000 0.956 40 T CA -0.259 61.728 62.100 -0.188 0.000 0.987 40 T CB 1.196 69.843 68.868 -0.369 0.000 0.920 40 T HN 0.340 nan 8.240 nan 0.000 0.470 41 L N 5.968 127.199 121.223 0.013 0.000 2.360 41 L HA 0.297 4.636 4.340 -0.001 0.000 0.276 41 L C -0.209 176.737 176.870 0.127 0.000 1.121 41 L CA -0.020 54.853 54.840 0.055 0.000 0.845 41 L CB 0.434 42.500 42.059 0.012 0.000 1.143 41 L HN 0.416 nan 8.230 nan 0.000 0.452 42 V N 5.479 125.498 119.914 0.175 0.000 2.370 42 V HA 0.094 4.213 4.120 -0.001 0.000 0.257 42 V C 0.227 176.396 176.094 0.126 0.000 1.064 42 V CA -0.429 61.978 62.300 0.179 0.000 0.975 42 V CB 0.309 32.263 31.823 0.218 0.000 1.067 42 V HN 0.723 nan 8.190 nan 0.000 0.485 43 D N 4.817 125.280 120.400 0.106 0.000 2.393 43 D HA 0.083 4.723 4.640 -0.001 0.000 0.232 43 D C 1.093 177.446 176.300 0.089 0.000 1.192 43 D CA -0.250 53.798 54.000 0.080 0.000 0.882 43 D CB 1.746 42.586 40.800 0.067 0.000 1.038 43 D HN 0.421 nan 8.370 nan 0.000 0.499 44 V N 2.249 122.213 119.914 0.084 0.000 3.141 44 V HA -0.086 4.034 4.120 -0.001 0.000 0.265 44 V C 1.781 177.915 176.094 0.068 0.000 1.126 44 V CA 0.515 62.867 62.300 0.087 0.000 1.141 44 V CB -0.345 31.527 31.823 0.082 0.000 0.743 44 V HN 0.345 nan 8.190 nan 0.000 0.492 45 V N 2.166 122.114 119.914 0.056 0.000 2.302 45 V HA -0.133 3.987 4.120 -0.001 0.000 0.243 45 V C 2.880 179.006 176.094 0.053 0.000 1.036 45 V CA 2.522 64.848 62.300 0.044 0.000 1.020 45 V CB -0.653 31.191 31.823 0.035 0.000 0.657 45 V HN 0.772 nan 8.190 nan 0.000 0.453 46 T N -2.638 111.952 114.554 0.061 0.000 3.065 46 T HA 0.254 4.604 4.350 -0.001 0.000 0.252 46 T C 1.568 176.323 174.700 0.092 0.000 1.099 46 T CA 0.935 63.075 62.100 0.066 0.000 1.063 46 T CB 0.521 69.423 68.868 0.057 0.000 0.948 46 T HN 0.997 nan 8.240 nan 0.000 0.506 47 G N 1.152 110.018 108.800 0.110 0.000 2.148 47 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.254 47 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.254 47 G C -0.238 174.735 174.900 0.121 0.000 0.981 47 G CA 0.213 45.401 45.100 0.147 0.000 0.670 47 G HN 0.667 nan 8.290 nan 0.000 0.528 48 E N -0.601 119.657 120.200 0.097 0.000 2.319 48 E HA 0.595 4.945 4.350 -0.001 0.000 0.268 48 E C 0.358 177.016 176.600 0.096 0.000 1.050 48 E CA -0.558 55.893 56.400 0.084 0.000 0.878 48 E CB 0.964 30.704 29.700 0.067 0.000 1.066 48 E HN 0.284 nan 8.360 nan 0.000 0.406 49 L N 3.818 125.101 121.223 0.100 0.000 2.280 49 L HA 0.484 4.824 4.340 -0.001 0.000 0.287 49 L C -0.179 176.747 176.870 0.092 0.000 1.023 49 L CA -0.512 54.409 54.840 0.134 0.000 0.819 49 L CB 0.455 42.627 42.059 0.188 0.000 1.212 49 L HN 0.445 nan 8.230 nan 0.000 0.420 50 R N 2.573 123.113 120.500 0.067 0.000 2.604 50 R HA 0.625 4.965 4.340 -0.001 0.000 0.281 50 R C -3.108 173.192 176.300 0.000 0.000 1.020 50 R CA -2.102 54.016 56.100 0.030 0.000 0.899 50 R CB 1.413 31.731 30.300 0.029 0.000 1.205 50 R HN 0.131 nan 8.270 nan 0.000 0.450 51 P HA 0.158 nan 4.420 nan 0.000 0.264 51 P C -1.152 176.121 177.300 -0.045 0.000 1.193 51 P CA 0.179 63.253 63.100 -0.043 0.000 0.763 51 P CB 1.128 32.806 31.700 -0.037 0.000 0.810 52 A N 2.561 125.336 122.820 -0.074 0.000 2.605 52 A HA 0.563 4.883 4.320 -0.001 0.000 0.294 52 A C -1.532 175.949 177.584 -0.171 0.000 1.062 52 A CA -0.626 51.343 52.037 -0.113 0.000 0.682 52 A CB 1.134 20.068 19.000 -0.110 0.000 1.278 52 A HN 0.353 nan 8.150 nan 0.000 0.410 53 D N 0.732 120.960 120.400 -0.286 0.000 2.272 53 D HA 0.659 5.299 4.640 -0.001 0.000 0.247 53 D C -0.421 175.512 176.300 -0.611 0.000 0.990 53 D CA -0.048 53.738 54.000 -0.357 0.000 0.931 53 D CB 1.413 42.077 40.800 -0.226 0.000 1.195 53 D HN 0.352 nan 8.370 nan 0.000 0.477 54 I N 0.694 121.001 120.570 -0.439 0.000 2.436 54 I HA 0.441 4.611 4.170 -0.001 0.000 0.289 54 I C 0.598 176.425 176.117 -0.484 0.000 1.010 54 I CA -0.769 60.281 61.300 -0.416 0.000 1.098 54 I CB 1.135 38.986 38.000 -0.248 0.000 1.266 54 I HN 0.247 nan 8.210 nan 0.000 0.434 55 G N 6.714 115.116 108.800 -0.663 0.000 2.368 55 G HA2 0.740 4.699 3.960 -0.001 0.000 0.320 55 G HA3 0.740 4.699 3.960 -0.001 0.000 0.320 55 G C -0.840 173.759 174.900 -0.502 0.000 1.158 55 G CA -0.327 43.989 45.100 -1.307 0.000 0.912 55 G HN 0.474 nan 8.290 nan 0.000 0.456 56 I N 1.683 122.142 120.570 -0.185 0.000 2.465 56 I HA 0.390 4.559 4.170 -0.001 0.000 0.291 56 I C -0.591 175.636 176.117 0.182 0.000 1.014 56 I CA -0.953 60.362 61.300 0.024 0.000 1.093 56 I CB 2.679 40.663 38.000 -0.027 0.000 1.267 56 I HN 0.128 nan 8.210 nan 0.000 0.431 57 V N 5.829 125.837 119.914 0.157 0.000 2.443 57 V HA 0.686 4.806 4.120 -0.001 0.000 0.293 57 V C 0.736 176.873 176.094 0.073 0.000 1.021 57 V CA -0.029 62.350 62.300 0.132 0.000 0.848 57 V CB 0.672 32.575 31.823 0.133 0.000 0.998 57 V HN 1.094 nan 8.190 nan 0.000 0.424 58 G N 5.037 113.869 108.800 0.053 0.000 2.611 58 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.301 58 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.301 58 G C 1.019 175.935 174.900 0.028 0.000 1.233 58 G CA 0.593 45.713 45.100 0.033 0.000 0.993 58 G HN 1.637 nan 8.290 nan 0.000 0.553 59 A N -0.462 122.372 122.820 0.023 0.000 2.238 59 A HA 0.628 4.947 4.320 -0.001 0.000 0.208 59 A C 1.199 178.794 177.584 0.019 0.000 1.177 59 A CA 0.734 52.781 52.037 0.017 0.000 0.804 59 A CB -0.101 18.907 19.000 0.014 0.000 0.823 59 A HN 0.631 nan 8.150 nan 0.000 0.482 60 L N 0.555 121.795 121.223 0.028 0.000 2.334 60 L HA 0.380 4.719 4.340 -0.001 0.000 0.277 60 L C -0.409 176.480 176.870 0.032 0.000 1.075 60 L CA -0.651 54.208 54.840 0.032 0.000 0.804 60 L CB 1.614 43.698 42.059 0.042 0.000 1.174 60 L HN 0.196 nan 8.230 nan 0.000 0.438 61 I N 2.754 123.335 120.570 0.017 0.000 2.517 61 I HA 0.038 4.207 4.170 -0.001 0.000 0.285 61 I C 0.982 177.124 176.117 0.041 0.000 1.106 61 I CA 0.286 61.589 61.300 0.004 0.000 1.402 61 I CB 1.338 39.328 38.000 -0.016 0.000 1.399 61 I HN 0.757 nan 8.210 nan 0.000 0.535 62 A N 4.417 127.285 122.820 0.081 0.000 2.169 62 A HA 0.234 4.554 4.320 -0.001 0.000 0.210 62 A C 0.818 178.509 177.584 0.179 0.000 1.168 62 A CA 0.315 52.452 52.037 0.165 0.000 0.813 62 A CB 0.320 19.503 19.000 0.306 0.000 0.861 62 A HN 0.619 nan 8.150 nan 0.000 0.481 63 S N -1.056 114.702 115.700 0.096 0.000 2.548 63 S HA 0.495 4.964 4.470 -0.001 0.000 0.278 63 S C -1.840 172.746 174.600 -0.024 0.000 1.150 63 S CA -0.381 57.894 58.200 0.125 0.000 0.907 63 S CB 1.467 64.886 63.200 0.366 0.000 1.108 63 S HN 0.359 nan 8.310 nan 0.000 0.459 64 V N 5.998 125.905 119.914 -0.012 0.000 2.376 64 V HA 0.645 4.765 4.120 -0.001 0.000 0.287 64 V C -0.458 175.597 176.094 -0.066 0.000 1.015 64 V CA -0.408 61.812 62.300 -0.134 0.000 0.834 64 V CB 0.609 32.383 31.823 -0.083 0.000 1.001 64 V HN 1.054 nan 8.190 nan 0.000 0.428 65 H N 1.034 120.083 119.070 -0.035 0.000 2.943 65 H HA 0.633 5.189 4.556 -0.001 0.000 0.323 65 H C -0.369 174.951 175.328 -0.012 0.000 1.296 65 H CA -1.106 54.937 56.048 -0.008 0.000 1.155 65 H CB 0.972 30.745 29.762 0.019 0.000 1.882 65 H HN 0.499 nan 8.280 nan 0.000 0.553 66 E N 1.378 121.713 120.200 0.226 0.000 2.414 66 E HA 0.134 4.483 4.350 -0.001 0.000 0.263 66 E C -2.149 174.537 176.600 0.143 0.000 1.000 66 E CA -1.706 54.771 56.400 0.128 0.000 0.914 66 E CB 0.179 29.940 29.700 0.101 0.000 0.948 66 E HN 0.407 nan 8.360 nan 0.000 0.444 67 P HA -0.069 nan 4.420 nan 0.000 0.262 67 P C -0.492 176.845 177.300 0.061 0.000 1.182 67 P CA 1.365 64.485 63.100 0.033 0.000 0.761 67 P CB 0.632 32.332 31.700 -0.000 0.000 0.795 68 A N 2.682 125.544 122.820 0.070 0.000 2.861 68 A HA -0.244 4.076 4.320 -0.001 0.000 0.261 68 A C 1.666 179.288 177.584 0.064 0.000 1.351 68 A CA 1.643 53.717 52.037 0.060 0.000 0.904 68 A CB -2.666 16.352 19.000 0.031 0.000 1.076 68 A HN 0.585 nan 8.150 nan 0.000 0.729 69 S N -1.485 114.272 115.700 0.094 0.000 2.501 69 S HA 0.287 4.757 4.470 -0.001 0.000 0.220 69 S C 0.831 175.429 174.600 -0.003 0.000 0.997 69 S CA 0.351 58.577 58.200 0.042 0.000 0.919 69 S CB 0.256 63.482 63.200 0.044 0.000 0.778 69 S HN 0.631 nan 8.310 nan 0.000 0.523 70 R N 0.514 121.028 120.500 0.022 0.000 2.807 70 R HA 0.571 4.910 4.340 -0.001 0.000 0.276 70 R C -0.149 176.211 176.300 0.099 0.000 0.979 70 R CA -0.485 55.637 56.100 0.037 0.000 0.928 70 R CB 1.340 31.670 30.300 0.049 0.000 1.191 70 R HN 0.206 nan 8.270 nan 0.000 0.471 71 R N 0.234 120.787 120.500 0.087 0.000 2.496 71 R HA 0.070 4.410 4.340 -0.001 0.000 0.369 71 R C -0.777 175.566 176.300 0.072 0.000 0.896 71 R CA -0.121 56.021 56.100 0.071 0.000 1.147 71 R CB 0.891 31.214 30.300 0.038 0.000 1.697 71 R HN 0.580 nan 8.270 nan 0.000 0.518 72 D N 1.276 121.731 120.400 0.092 0.000 2.473 72 D HA 0.481 5.121 4.640 -0.001 0.000 0.226 72 D C -0.557 175.808 176.300 0.108 0.000 1.089 72 D CA -0.469 53.562 54.000 0.051 0.000 0.883 72 D CB 1.481 42.264 40.800 -0.027 0.000 1.029 72 D HN 0.087 nan 8.370 nan 0.000 0.517 73 A N 0.958 123.839 122.820 0.102 0.000 2.589 73 A HA 0.635 4.955 4.320 -0.001 0.000 0.296 73 A C 0.699 178.321 177.584 0.065 0.000 1.062 73 A CA -0.389 51.724 52.037 0.126 0.000 0.686 73 A CB 1.385 20.497 19.000 0.187 0.000 1.282 73 A HN 0.409 nan 8.150 nan 0.000 0.404 74 A N 0.305 123.158 122.820 0.055 0.000 1.978 74 A HA 0.091 4.411 4.320 -0.001 0.000 0.220 74 A C 0.988 178.588 177.584 0.026 0.000 1.170 74 A CA 2.144 54.200 52.037 0.032 0.000 0.636 74 A CB -0.147 18.870 19.000 0.027 0.000 0.810 74 A HN 0.887 nan 8.150 nan 0.000 0.448 75 Q N -0.798 119.020 119.800 0.031 0.000 2.315 75 Q HA 0.562 4.902 4.340 -0.001 0.000 0.273 75 Q C -2.130 173.870 176.000 0.000 0.000 1.053 75 Q CA -0.484 55.325 55.803 0.010 0.000 0.817 75 Q CB 2.293 31.031 28.738 -0.001 0.000 1.326 75 Q HN 0.095 nan 8.270 nan 0.000 0.423 76 V N 4.973 124.877 119.914 -0.016 0.000 2.555 76 V HA 0.563 4.683 4.120 -0.001 0.000 0.302 76 V C -0.415 175.629 176.094 -0.083 0.000 1.038 76 V CA -0.595 61.684 62.300 -0.035 0.000 0.887 76 V CB 1.908 33.723 31.823 -0.013 0.000 0.991 76 V HN 0.720 nan 8.190 nan 0.000 0.434 77 I N 3.096 123.580 120.570 -0.142 0.000 2.418 77 I HA 0.337 4.506 4.170 -0.001 0.000 0.287 77 I C -0.770 175.213 176.117 -0.223 0.000 1.008 77 I CA -0.464 60.667 61.300 -0.282 0.000 1.104 77 I CB 1.949 39.691 38.000 -0.431 0.000 1.264 77 I HN 0.614 nan 8.210 nan 0.000 0.438 78 D N 5.551 125.867 120.400 -0.140 0.000 2.316 78 D HA 0.400 5.039 4.640 -0.001 0.000 0.245 78 D C 0.367 176.695 176.300 0.046 0.000 1.171 78 D CA -0.089 53.900 54.000 -0.018 0.000 0.856 78 D CB 1.565 42.389 40.800 0.040 0.000 1.090 78 D HN 0.614 nan 8.370 nan 0.000 0.476 79 A N 3.438 126.258 122.820 -0.001 0.000 2.503 79 A HA 0.457 4.777 4.320 -0.001 0.000 0.263 79 A C 1.101 178.671 177.584 -0.024 0.000 1.258 79 A CA -0.091 51.956 52.037 0.016 0.000 0.936 79 A CB -0.107 18.878 19.000 -0.024 0.000 1.070 79 A HN 0.597 nan 8.150 nan 0.000 0.522 80 G N -0.621 108.167 108.800 -0.021 0.000 2.202 80 G HA2 0.431 4.391 3.960 -0.001 0.000 0.251 80 G HA3 0.431 4.391 3.960 -0.001 0.000 0.251 80 G C 1.224 176.096 174.900 -0.047 0.000 1.219 80 G CA 0.463 45.539 45.100 -0.039 0.000 0.943 80 G HN 1.572 nan 8.290 nan 0.000 0.465 81 G N 0.561 109.308 108.800 -0.090 0.000 2.179 81 G HA2 0.161 4.121 3.960 -0.001 0.000 0.260 81 G HA3 0.161 4.121 3.960 -0.001 0.000 0.260 81 G C 0.569 175.394 174.900 -0.125 0.000 0.977 81 G CA 0.981 46.026 45.100 -0.092 0.000 0.641 81 G HN 1.961 nan 8.290 nan 0.000 0.533 82 A N -1.256 121.466 122.820 -0.163 0.000 2.470 82 A HA 0.942 5.262 4.320 -0.001 0.000 0.271 82 A C -1.086 176.329 177.584 -0.282 0.000 1.269 82 A CA -0.863 51.121 52.037 -0.088 0.000 0.828 82 A CB 1.021 20.052 19.000 0.050 0.000 1.374 82 A HN 0.772 nan 8.150 nan 0.000 0.454 83 Y N -1.087 119.251 120.300 0.063 0.000 2.391 83 Y HA 0.511 5.061 4.550 -0.001 0.000 0.341 83 Y C -0.360 175.589 175.900 0.081 0.000 0.965 83 Y CA -0.583 57.566 58.100 0.081 0.000 1.067 83 Y CB 2.401 40.931 38.460 0.116 0.000 1.199 83 Y HN 0.347 nan 8.280 nan 0.000 0.450 84 V N 2.875 122.887 119.914 0.164 0.000 2.370 84 V HA 0.518 4.638 4.120 -0.001 0.000 0.279 84 V C -0.232 175.931 176.094 0.114 0.000 1.029 84 V CA -0.380 61.965 62.300 0.076 0.000 0.870 84 V CB 1.244 33.068 31.823 0.001 0.000 0.984 84 V HN 0.765 nan 8.190 nan 0.000 0.451 85 S N 6.282 122.028 115.700 0.077 0.000 2.568 85 S HA 0.738 5.208 4.470 -0.001 0.000 0.293 85 S C -2.868 171.760 174.600 0.047 0.000 1.089 85 S CA -1.757 56.522 58.200 0.130 0.000 0.945 85 S CB 2.365 65.753 63.200 0.313 0.000 1.077 85 S HN 0.486 nan 8.310 nan 0.000 0.485 86 P HA 0.208 nan 4.420 nan 0.000 0.267 86 P C 0.043 177.367 177.300 0.040 0.000 1.200 86 P CA -0.001 63.123 63.100 0.040 0.000 0.772 86 P CB 0.113 31.843 31.700 0.051 0.000 0.855 87 G N 2.130 110.938 108.800 0.012 0.000 2.594 87 G HA2 0.288 4.247 3.960 -0.001 0.000 0.243 87 G HA3 0.288 4.247 3.960 -0.001 0.000 0.243 87 G C -0.310 174.623 174.900 0.055 0.000 1.229 87 G CA -0.573 44.537 45.100 0.017 0.000 0.843 87 G HN 0.398 nan 8.290 nan 0.000 0.578 88 L N 0.102 121.370 121.223 0.075 0.000 2.439 88 L HA 0.506 4.846 4.340 -0.001 0.000 0.261 88 L C 0.131 177.033 176.870 0.054 0.000 1.153 88 L CA -0.357 54.531 54.840 0.080 0.000 0.808 88 L CB 0.971 43.091 42.059 0.102 0.000 1.126 88 L HN 0.278 nan 8.230 nan 0.000 0.460 89 I N 1.035 121.632 120.570 0.045 0.000 2.512 89 I HA 0.202 4.371 4.170 -0.001 0.000 0.287 89 I C -1.080 175.056 176.117 0.033 0.000 1.069 89 I CA -0.476 60.847 61.300 0.039 0.000 1.056 89 I CB 2.276 40.297 38.000 0.035 0.000 1.229 89 I HN 0.503 nan 8.210 nan 0.000 0.429 90 D N 4.539 124.958 120.400 0.032 0.000 2.373 90 D HA 0.163 4.803 4.640 -0.001 0.000 0.227 90 D C 1.049 177.362 176.300 0.022 0.000 1.091 90 D CA -0.237 53.777 54.000 0.023 0.000 0.840 90 D CB 1.598 42.410 40.800 0.020 0.000 1.060 90 D HN 0.663 nan 8.370 nan 0.000 0.502 91 T N 0.722 115.298 114.554 0.038 0.000 3.148 91 T HA 0.085 4.434 4.350 -0.001 0.000 0.253 91 T C 0.605 175.371 174.700 0.110 0.000 1.134 91 T CA 0.423 62.560 62.100 0.061 0.000 1.051 91 T CB -0.054 68.850 68.868 0.061 0.000 0.959 91 T HN 0.602 nan 8.240 nan 0.000 0.525 95 I N 0.999 121.156 120.570 -0.690 0.000 2.286 95 I HA -0.277 3.892 4.170 -0.001 0.000 0.248 95 I C 1.787 177.684 176.117 -0.366 0.000 1.115 95 I CA 1.511 62.290 61.300 -0.869 0.000 1.392 95 I CB 0.006 37.228 38.000 -1.296 0.000 1.065 95 I HN 0.538 nan 8.210 nan 0.000 0.418 96 E N 0.701 120.759 120.200 -0.236 0.000 2.118 96 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 96 E C 2.224 178.683 176.600 -0.235 0.000 0.992 96 E CA 1.543 57.751 56.400 -0.321 0.000 0.804 96 E CB -0.239 29.145 29.700 -0.526 0.000 0.741 96 E HN 0.312 nan 8.360 nan 0.000 0.458 97 S N 0.302 115.894 115.700 -0.179 0.000 2.419 97 S HA -0.039 4.430 4.470 -0.001 0.000 0.233 97 S C 1.069 175.586 174.600 -0.139 0.000 1.016 97 S CA 0.328 58.430 58.200 -0.163 0.000 0.974 97 S CB -0.026 63.068 63.200 -0.177 0.000 0.786 97 S HN 0.125 nan 8.310 nan 0.000 0.492 101 T N -1.613 113.049 114.554 0.180 0.000 2.788 101 T HA 0.470 4.819 4.350 -0.001 0.000 0.287 101 T C -2.105 172.716 174.700 0.202 0.000 1.007 101 T CA -1.178 61.087 62.100 0.276 0.000 1.005 101 T CB 1.082 70.122 68.868 0.286 0.000 1.012 101 T HN 0.553 nan 8.240 nan 0.000 0.530 102 P HA 0.054 nan 4.420 nan 0.000 0.218 102 P C 1.617 178.959 177.300 0.070 0.000 1.149 102 P CA 1.243 64.364 63.100 0.036 0.000 0.817 102 P CB -0.280 31.416 31.700 -0.007 0.000 0.785 103 A N 0.019 122.888 122.820 0.081 0.000 1.902 103 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 103 A C 2.268 179.885 177.584 0.056 0.000 1.181 103 A CA 2.064 54.135 52.037 0.057 0.000 0.623 103 A CB -1.529 17.504 19.000 0.056 0.000 0.818 103 A HN 0.197 nan 8.150 nan 0.000 0.443 104 A N -1.880 120.986 122.820 0.076 0.000 1.897 104 A HA -0.005 4.314 4.320 -0.001 0.000 0.215 104 A C 2.089 179.684 177.584 0.019 0.000 1.181 104 A CA 1.383 53.447 52.037 0.046 0.000 0.620 104 A CB -0.786 18.249 19.000 0.058 0.000 0.821 104 A HN 0.628 nan 8.150 nan 0.000 0.443 105 Y N 0.823 121.095 120.300 -0.048 0.000 2.114 105 Y HA -0.242 4.308 4.550 -0.001 0.000 0.282 105 Y C 2.698 178.553 175.900 -0.076 0.000 1.165 105 Y CA 1.673 59.720 58.100 -0.089 0.000 1.148 105 Y CB -0.414 37.942 38.460 -0.173 0.000 0.972 105 Y HN 0.328 nan 8.280 nan 0.000 0.504 106 A N 0.167 123.019 122.820 0.053 0.000 1.908 106 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 106 A C 2.403 179.949 177.584 -0.063 0.000 1.181 106 A CA 2.050 54.091 52.037 0.006 0.000 0.627 106 A CB -1.537 17.483 19.000 0.032 0.000 0.818 106 A HN 0.600 nan 8.150 nan 0.000 0.445 107 A N -0.349 122.439 122.820 -0.053 0.000 1.972 107 A HA 0.185 4.504 4.320 -0.001 0.000 0.219 107 A C 2.462 179.996 177.584 -0.083 0.000 1.169 107 A CA 2.006 54.013 52.037 -0.049 0.000 0.635 107 A CB -0.878 18.105 19.000 -0.027 0.000 0.810 107 A HN 1.018 nan 8.150 nan 0.000 0.446 108 A N -0.244 122.489 122.820 -0.144 0.000 1.873 108 A HA 0.039 4.359 4.320 -0.001 0.000 0.215 108 A C 2.268 179.731 177.584 -0.201 0.000 1.186 108 A CA 2.214 54.140 52.037 -0.185 0.000 0.616 108 A CB -0.950 17.882 19.000 -0.280 0.000 0.823 108 A HN 1.141 nan 8.150 nan 0.000 0.442 109 V N -3.478 116.272 119.914 -0.274 0.000 3.125 109 V HA 0.033 4.152 4.120 -0.001 0.000 0.249 109 V C 2.044 178.089 176.094 -0.082 0.000 1.113 109 V CA 1.185 63.364 62.300 -0.202 0.000 1.106 109 V CB -0.545 31.120 31.823 -0.262 0.000 0.768 109 V HN 0.130 nan 8.190 nan 0.000 0.468 110 V N 1.656 121.531 119.914 -0.065 0.000 2.407 110 V HA -0.152 3.967 4.120 -0.001 0.000 0.248 110 V C 3.101 179.182 176.094 -0.020 0.000 1.055 110 V CA 2.267 64.552 62.300 -0.026 0.000 1.049 110 V CB -1.184 30.629 31.823 -0.017 0.000 0.662 110 V HN 0.647 nan 8.190 nan 0.000 0.455 111 A N -0.178 122.625 122.820 -0.029 0.000 2.121 111 A HA -0.133 4.187 4.320 -0.001 0.000 0.218 111 A C 2.216 179.801 177.584 0.002 0.000 1.154 111 A CA 1.180 53.207 52.037 -0.017 0.000 0.679 111 A CB -0.382 18.605 19.000 -0.023 0.000 0.795 111 A HN 0.567 nan 8.150 nan 0.000 0.458 112 R N -1.636 118.870 120.500 0.010 0.000 2.334 112 R HA 0.277 4.617 4.340 -0.001 0.000 0.216 112 R C 1.109 177.482 176.300 0.120 0.000 0.905 112 R CA 0.522 56.662 56.100 0.067 0.000 1.064 112 R CB 0.207 30.531 30.300 0.040 0.000 1.046 112 R HN 0.593 nan 8.270 nan 0.000 0.508 113 G N 0.565 109.393 108.800 0.047 0.000 2.159 113 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.227 113 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.227 113 G C 0.052 174.979 174.900 0.045 0.000 0.986 113 G CA -0.237 44.873 45.100 0.016 0.000 0.651 113 G HN 0.117 nan 8.290 nan 0.000 0.523 114 V N 2.094 122.033 119.914 0.041 0.000 2.427 114 V HA 0.498 4.618 4.120 -0.001 0.000 0.268 114 V C 1.541 177.653 176.094 0.030 0.000 1.046 114 V CA 1.046 63.371 62.300 0.042 0.000 0.970 114 V CB 1.081 32.927 31.823 0.037 0.000 1.001 114 V HN 0.674 nan 8.190 nan 0.000 0.476 115 T N -0.098 114.475 114.554 0.032 0.000 2.985 115 T HA 0.166 4.515 4.350 -0.001 0.000 0.254 115 T C 0.579 175.299 174.700 0.034 0.000 1.021 115 T CA -0.008 62.107 62.100 0.026 0.000 0.957 115 T CB 0.375 69.252 68.868 0.015 0.000 1.047 115 T HN 0.547 nan 8.240 nan 0.000 0.511 116 T N 2.977 117.556 114.554 0.041 0.000 2.921 116 T HA 0.679 5.029 4.350 -0.001 0.000 0.297 116 T C -0.677 174.052 174.700 0.050 0.000 1.013 116 T CA -0.841 61.286 62.100 0.045 0.000 0.990 116 T CB 1.759 70.651 68.868 0.040 0.000 1.023 116 T HN 0.498 nan 8.240 nan 0.000 0.447 117 I N -0.604 119.998 120.570 0.053 0.000 2.740 117 I HA 0.888 5.058 4.170 -0.001 0.000 0.303 117 I C -1.012 175.139 176.117 0.057 0.000 1.044 117 I CA -1.423 59.901 61.300 0.040 0.000 1.064 117 I CB 2.027 40.032 38.000 0.009 0.000 1.249 117 I HN 0.249 nan 8.210 nan 0.000 0.433 118 V N 3.739 123.677 119.914 0.039 0.000 2.293 118 V HA 0.220 4.340 4.120 -0.001 0.000 0.275 118 V C -1.118 175.012 176.094 0.060 0.000 1.021 118 V CA -0.131 62.206 62.300 0.062 0.000 0.815 118 V CB 0.722 32.577 31.823 0.054 0.000 1.025 118 V HN 0.745 nan 8.190 nan 0.000 0.448 119 W N 5.666 126.897 121.300 -0.116 0.000 2.329 119 W HA 0.525 5.185 4.660 -0.000 0.000 0.312 119 W C -0.316 176.148 176.519 -0.091 0.000 1.054 119 W CA -1.584 55.665 57.345 -0.161 0.000 1.245 119 W CB 1.185 30.586 29.460 -0.097 0.000 1.255 119 W HN 0.638 nan 8.180 nan 0.000 0.436 120 D N 8.527 128.950 120.400 0.038 0.000 2.380 120 D HA 0.242 4.881 4.640 -0.001 0.000 0.230 120 D C -2.000 174.251 176.300 -0.081 0.000 1.154 120 D CA -2.370 51.626 54.000 -0.006 0.000 0.859 120 D CB 1.487 42.385 40.800 0.163 0.000 1.045 120 D HN 0.151 nan 8.370 nan 0.000 0.495 121 P HA 0.061 nan 4.420 nan 0.000 0.220 121 P C 0.651 177.931 177.300 -0.033 0.000 1.793 121 P CA -0.071 62.770 63.100 -0.431 0.000 0.917 121 P CB -0.689 30.546 31.700 -0.776 0.000 1.755 122 H N -0.255 118.840 119.070 0.041 0.000 2.524 122 H HA 0.042 4.597 4.556 -0.001 0.000 0.282 122 H C 0.746 176.083 175.328 0.014 0.000 1.016 122 H CA 0.395 56.450 56.048 0.013 0.000 1.270 122 H CB 0.023 29.789 29.762 0.007 0.000 1.394 122 H HN 0.105 nan 8.280 nan 0.000 0.568 123 E N 1.245 121.348 120.200 -0.162 0.000 2.028 123 E HA -0.104 4.246 4.350 -0.001 0.000 0.190 123 E C 2.058 178.646 176.600 -0.020 0.000 0.984 123 E CA 0.418 56.770 56.400 -0.081 0.000 0.800 123 E CB -0.620 28.874 29.700 -0.343 0.000 0.758 123 E HN 0.379 nan 8.360 nan 0.000 0.448 124 F N 1.628 121.598 119.950 0.033 0.000 2.192 124 F HA -0.085 4.442 4.527 -0.000 0.000 0.301 124 F C 2.494 178.346 175.800 0.087 0.000 1.079 124 F CA 1.241 59.304 58.000 0.105 0.000 1.303 124 F CB -1.247 37.869 39.000 0.194 0.000 1.024 124 F HN 0.118 nan 8.300 nan 0.000 0.494 125 G N -0.482 108.451 108.800 0.222 0.000 2.402 125 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.216 125 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.216 125 G C 1.716 176.555 174.900 -0.102 0.000 1.162 125 G CA 0.723 45.885 45.100 0.103 0.000 0.777 125 G HN 0.299 nan 8.290 nan 0.000 0.539 126 N N 0.174 118.816 118.700 -0.095 0.000 2.270 126 N HA -0.071 4.669 4.740 -0.001 0.000 0.181 126 N C 2.299 177.672 175.510 -0.229 0.000 1.016 126 N CA 1.045 53.991 53.050 -0.173 0.000 0.870 126 N CB 0.104 38.553 38.487 -0.063 0.000 0.979 126 N HN 0.208 nan 8.380 nan 0.000 0.431 127 V N 0.374 120.181 119.914 -0.179 0.000 2.346 127 V HA -0.102 4.017 4.120 -0.001 0.000 0.244 127 V C 1.357 177.188 176.094 -0.439 0.000 1.037 127 V CA 1.365 63.417 62.300 -0.413 0.000 1.029 127 V CB -0.308 31.253 31.823 -0.438 0.000 0.663 127 V HN 0.354 nan 8.190 nan 0.000 0.454 128 H N -1.132 117.958 119.070 0.032 0.000 3.170 128 H HA 0.409 4.964 4.556 -0.001 0.000 0.264 128 H C 1.379 176.776 175.328 0.116 0.000 1.113 128 H CA 0.658 56.744 56.048 0.063 0.000 1.194 128 H CB 0.729 30.530 29.762 0.065 0.000 1.553 128 H HN 0.457 nan 8.280 nan 0.000 0.538 129 G N 1.001 109.940 108.800 0.231 0.000 2.552 129 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.265 129 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.265 129 G C 1.299 176.510 174.900 0.518 0.000 1.234 129 G CA 0.597 45.944 45.100 0.411 0.000 0.944 129 G HN 0.142 nan 8.290 nan 0.000 0.568 130 V N 1.079 121.232 119.914 0.398 0.000 2.380 130 V HA -0.181 3.938 4.120 -0.001 0.000 0.251 130 V C 2.602 178.843 176.094 0.245 0.000 1.063 130 V CA 2.984 65.392 62.300 0.180 0.000 1.055 130 V CB -0.691 31.119 31.823 -0.021 0.000 0.657 130 V HN 0.673 nan 8.190 nan 0.000 0.455 131 D N 0.641 121.170 120.400 0.216 0.000 2.221 131 D HA -0.124 4.515 4.640 -0.001 0.000 0.204 131 D C 2.182 178.592 176.300 0.184 0.000 0.982 131 D CA 1.561 55.666 54.000 0.174 0.000 0.857 131 D CB -0.459 40.408 40.800 0.112 0.000 0.934 131 D HN 0.512 nan 8.370 nan 0.000 0.475 132 G N 0.836 109.784 108.800 0.247 0.000 2.433 132 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 132 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 132 G C 1.842 176.886 174.900 0.240 0.000 1.186 132 G CA 0.925 46.179 45.100 0.256 0.000 0.779 132 G HN 0.271 nan 8.290 nan 0.000 0.543 133 V N 0.516 120.584 119.914 0.256 0.000 2.490 133 V HA -0.130 3.990 4.120 -0.001 0.000 0.250 133 V C 2.839 179.130 176.094 0.328 0.000 1.061 133 V CA 1.869 64.292 62.300 0.205 0.000 1.064 133 V CB -0.522 31.351 31.823 0.083 0.000 0.670 133 V HN 0.275 nan 8.190 nan 0.000 0.461 134 R N -1.383 119.335 120.500 0.364 0.000 2.075 134 R HA -0.175 4.164 4.340 -0.001 0.000 0.232 134 R C 2.126 178.481 176.300 0.091 0.000 1.126 134 R CA 1.946 58.175 56.100 0.215 0.000 0.963 134 R CB -0.380 29.994 30.300 0.124 0.000 0.858 134 R HN 0.639 nan 8.270 nan 0.000 0.435 135 W N 1.266 122.539 121.300 -0.046 0.000 2.355 135 W HA -0.203 4.457 4.660 -0.001 0.000 0.309 135 W C 2.222 178.697 176.519 -0.072 0.000 1.206 135 W CA 1.993 59.266 57.345 -0.120 0.000 1.284 135 W CB -0.305 28.998 29.460 -0.262 0.000 1.145 135 W HN 0.119 nan 8.180 nan 0.000 0.502 136 A N 0.603 123.485 122.820 0.104 0.000 1.908 136 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 136 A C 2.074 179.636 177.584 -0.037 0.000 1.181 136 A CA 2.792 54.848 52.037 0.032 0.000 0.627 136 A CB -1.579 17.264 19.000 -0.263 0.000 0.818 136 A HN 0.422 nan 8.150 nan 0.000 0.445 137 A N -0.352 122.457 122.820 -0.017 0.000 1.877 137 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 137 A C 2.156 179.665 177.584 -0.124 0.000 1.186 137 A CA 2.046 54.074 52.037 -0.015 0.000 0.620 137 A CB -0.495 18.512 19.000 0.012 0.000 0.822 137 A HN 0.574 nan 8.150 nan 0.000 0.443 138 K N -0.290 119.973 120.400 -0.228 0.000 2.032 138 K HA -0.121 4.198 4.320 -0.001 0.000 0.209 138 K C 2.104 178.488 176.600 -0.361 0.000 1.048 138 K CA 1.367 57.480 56.287 -0.291 0.000 0.927 138 K CB -0.349 31.943 32.500 -0.346 0.000 0.712 138 K HN 0.356 nan 8.250 nan 0.000 0.441 139 A N 1.624 124.090 122.820 -0.590 0.000 2.015 139 A HA -0.090 4.230 4.320 -0.001 0.000 0.219 139 A C 2.027 179.477 177.584 -0.223 0.000 1.163 139 A CA 1.460 53.136 52.037 -0.601 0.000 0.646 139 A CB -0.695 17.573 19.000 -1.219 0.000 0.806 139 A HN 0.612 nan 8.150 nan 0.000 0.448 140 I N -1.890 118.630 120.570 -0.085 0.000 3.419 140 I HA -0.019 4.150 4.170 -0.001 0.000 0.286 140 I C 1.877 177.985 176.117 -0.015 0.000 1.268 140 I CA 1.301 62.608 61.300 0.012 0.000 1.414 140 I CB -0.457 37.616 38.000 0.123 0.000 1.074 140 I HN 0.485 nan 8.210 nan 0.000 0.457 141 E N 1.915 122.083 120.200 -0.054 0.000 2.118 141 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 141 E C 0.765 177.347 176.600 -0.031 0.000 0.992 141 E CA 1.402 57.777 56.400 -0.042 0.000 0.804 141 E CB -0.256 29.403 29.700 -0.068 0.000 0.741 141 E HN 0.534 nan 8.360 nan 0.000 0.458 142 N N 0.673 119.352 118.700 -0.036 0.000 2.401 142 N HA 0.225 4.964 4.740 -0.001 0.000 0.264 142 N C -0.666 174.836 175.510 -0.014 0.000 1.238 142 N CA -0.104 52.932 53.050 -0.023 0.000 0.889 142 N CB 0.701 39.172 38.487 -0.027 0.000 1.196 142 N HN 0.165 nan 8.380 nan 0.000 0.511 143 L N 1.377 122.595 121.223 -0.008 0.000 2.436 143 L HA 0.255 4.594 4.340 -0.001 0.000 0.265 143 L C -0.723 176.152 176.870 0.007 0.000 1.168 143 L CA -1.134 53.707 54.840 0.002 0.000 0.815 143 L CB 0.382 42.446 42.059 0.009 0.000 1.109 143 L HN -0.110 nan 8.230 nan 0.000 0.462 144 P HA 0.005 nan 4.420 nan 0.000 0.245 144 P C -0.144 177.165 177.300 0.014 0.000 1.212 144 P CA 0.288 63.393 63.100 0.008 0.000 0.774 144 P CB 0.255 31.958 31.700 0.005 0.000 0.999 145 L N 0.536 121.772 121.223 0.021 0.000 2.289 145 L HA 0.384 4.723 4.340 -0.001 0.000 0.285 145 L C 0.336 177.228 176.870 0.037 0.000 1.049 145 L CA -1.172 53.687 54.840 0.031 0.000 0.804 145 L CB 0.856 42.942 42.059 0.045 0.000 1.195 145 L HN -0.231 nan 8.230 nan 0.000 0.428 146 R N 4.172 124.695 120.500 0.039 0.000 2.438 146 R HA 0.671 5.010 4.340 -0.001 0.000 0.287 146 R C -1.151 175.186 176.300 0.062 0.000 1.077 146 R CA 0.043 56.170 56.100 0.045 0.000 1.034 146 R CB 0.679 31.003 30.300 0.040 0.000 0.993 146 R HN 0.839 nan 8.270 nan 0.000 0.459 147 A N 6.380 129.249 122.820 0.081 0.000 2.332 147 A HA 0.428 4.747 4.320 -0.001 0.000 0.300 147 A C -0.659 177.003 177.584 0.130 0.000 1.153 147 A CA -0.778 51.332 52.037 0.122 0.000 0.764 147 A CB 0.790 19.896 19.000 0.175 0.000 1.174 147 A HN 0.760 nan 8.150 nan 0.000 0.467 148 I N 3.417 124.059 120.570 0.119 0.000 2.315 148 I HA 0.237 4.406 4.170 -0.001 0.000 0.291 148 I C -0.277 175.910 176.117 0.116 0.000 1.006 148 I CA -0.231 61.130 61.300 0.101 0.000 1.265 148 I CB 1.217 39.261 38.000 0.074 0.000 1.387 148 I HN 0.531 nan 8.210 nan 0.000 0.475 149 L N 7.113 128.393 121.223 0.095 0.000 2.375 149 L HA 0.469 4.808 4.340 -0.001 0.000 0.271 149 L C -0.376 176.501 176.870 0.012 0.000 1.107 149 L CA -0.535 54.330 54.840 0.041 0.000 0.806 149 L CB 0.901 42.968 42.059 0.013 0.000 1.146 149 L HN 0.426 nan 8.230 nan 0.000 0.447 150 L N 2.047 123.258 121.223 -0.020 0.000 2.342 150 L HA 0.619 4.959 4.340 -0.001 0.000 0.271 150 L C 0.109 176.954 176.870 -0.042 0.000 1.008 150 L CA -0.701 54.134 54.840 -0.008 0.000 0.818 150 L CB 1.853 43.938 42.059 0.044 0.000 1.296 150 L HN 0.640 nan 8.230 nan 0.000 0.427 151 A N 3.352 126.143 122.820 -0.049 0.000 2.354 151 A HA 0.567 4.886 4.320 -0.001 0.000 0.281 151 A C -2.393 175.212 177.584 0.036 0.000 1.174 151 A CA -1.370 50.624 52.037 -0.071 0.000 0.828 151 A CB -0.268 18.653 19.000 -0.131 0.000 1.099 151 A HN 0.364 nan 8.150 nan 0.000 0.516 152 P HA 0.014 nan 4.420 nan 0.000 0.264 152 P C 0.775 178.160 177.300 0.141 0.000 1.193 152 P CA 0.518 63.702 63.100 0.141 0.000 0.763 152 P CB 0.923 32.716 31.700 0.155 0.000 0.810 153 S N 0.720 116.458 115.700 0.063 0.000 2.503 153 S HA 0.055 4.524 4.470 -0.001 0.000 0.215 153 S C 0.538 175.151 174.600 0.022 0.000 1.003 153 S CA 0.123 58.357 58.200 0.056 0.000 0.910 153 S CB -0.289 62.932 63.200 0.036 0.000 0.790 153 S HN 0.415 nan 8.310 nan 0.000 0.514 154 C N 2.594 121.859 119.300 -0.059 0.000 3.414 154 C HA 0.724 5.184 4.460 -0.001 0.000 0.208 154 C C -0.118 174.772 174.990 -0.167 0.000 1.422 154 C CA -0.978 57.981 59.018 -0.098 0.000 1.437 154 C CB -0.306 27.361 27.740 -0.121 0.000 1.850 154 C HN 0.472 nan 8.230 nan 0.000 0.481 155 V N 3.355 123.154 119.914 -0.191 0.000 2.407 155 V HA 0.715 4.834 4.120 -0.001 0.000 0.291 155 V C -2.482 173.492 176.094 -0.200 0.000 1.018 155 V CA -1.787 60.320 62.300 -0.321 0.000 0.842 155 V CB 2.164 33.562 31.823 -0.708 0.000 0.996 155 V HN 0.428 nan 8.190 nan 0.000 0.426 156 P HA 0.214 nan 4.420 nan 0.000 0.286 156 P C 0.949 178.174 177.300 -0.125 0.000 1.293 156 P CA 0.366 63.377 63.100 -0.147 0.000 0.770 156 P CB 1.089 32.730 31.700 -0.097 0.000 1.206 157 S N -0.891 114.732 115.700 -0.129 0.000 2.423 157 S HA 0.038 4.507 4.470 -0.001 0.000 0.231 157 S C 1.097 175.648 174.600 -0.081 0.000 1.014 157 S CA 0.678 58.802 58.200 -0.126 0.000 0.965 157 S CB -0.754 62.356 63.200 -0.151 0.000 0.785 157 S HN 0.659 nan 8.310 nan 0.000 0.495 158 A N 2.136 124.920 122.820 -0.059 0.000 2.893 158 A HA 0.675 4.995 4.320 -0.001 0.000 0.333 158 A C -3.077 174.497 177.584 -0.016 0.000 1.152 158 A CA -1.675 50.345 52.037 -0.029 0.000 0.782 158 A CB 0.527 19.517 19.000 -0.017 0.000 1.108 158 A HN 0.212 nan 8.150 nan 0.000 0.469 159 P HA 0.250 nan 4.420 nan 0.000 0.264 159 P C 1.238 178.540 177.300 0.003 0.000 1.183 159 P CA 2.236 65.333 63.100 -0.005 0.000 0.763 159 P CB 0.762 32.463 31.700 0.002 0.000 0.807 160 G N 2.021 110.822 108.800 0.003 0.000 2.176 160 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.253 160 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.253 160 G C 0.414 175.322 174.900 0.013 0.000 0.979 160 G CA -0.093 45.011 45.100 0.007 0.000 0.641 160 G HN 0.483 nan 8.290 nan 0.000 0.530 161 L N 0.828 122.059 121.223 0.014 0.000 2.817 161 L HA 0.465 4.804 4.340 -0.001 0.000 0.248 161 L C 0.824 177.706 176.870 0.020 0.000 1.133 161 L CA 1.187 56.042 54.840 0.025 0.000 0.935 161 L CB 0.229 42.308 42.059 0.033 0.000 1.266 161 L HN 0.739 nan 8.230 nan 0.000 0.535 162 E N -1.249 118.957 120.200 0.011 0.000 2.392 162 E HA 0.495 4.844 4.350 -0.001 0.000 0.281 162 E C -1.061 175.552 176.600 0.023 0.000 1.088 162 E CA -0.960 55.451 56.400 0.018 0.000 0.850 162 E CB 1.229 30.931 29.700 0.004 0.000 1.267 162 E HN -0.064 nan 8.360 nan 0.000 0.438 163 R N 1.070 121.613 120.500 0.073 0.000 2.502 163 R HA 0.549 4.889 4.340 -0.001 0.000 0.300 163 R C -0.147 176.293 176.300 0.234 0.000 0.984 163 R CA -0.461 55.697 56.100 0.096 0.000 0.882 163 R CB 2.141 32.436 30.300 -0.008 0.000 1.180 163 R HN 0.686 nan 8.270 nan 0.000 0.444 164 G N 0.474 109.327 108.800 0.088 0.000 2.773 164 G HA2 0.304 4.264 3.960 -0.001 0.000 0.186 164 G HA3 0.304 4.264 3.960 -0.001 0.000 0.186 164 G C 0.639 175.442 174.900 -0.161 0.000 1.411 164 G CA -0.148 44.923 45.100 -0.049 0.000 1.054 164 G HN 0.564 nan 8.290 nan 0.000 0.579 165 G N -1.144 107.321 108.800 -0.559 0.000 3.088 165 G HA2 0.534 4.493 3.960 -0.001 0.000 0.217 165 G HA3 0.534 4.493 3.960 -0.001 0.000 0.217 165 G C 0.271 175.098 174.900 -0.121 0.000 1.159 165 G CA 1.284 46.158 45.100 -0.376 0.000 0.760 165 G HN 1.086 nan 8.290 nan 0.000 0.550 166 A N -0.481 122.268 122.820 -0.118 0.000 2.599 166 A HA 0.664 4.984 4.320 -0.001 0.000 0.290 166 A C -2.195 175.360 177.584 -0.048 0.000 1.101 166 A CA -0.580 51.439 52.037 -0.031 0.000 0.674 166 A CB 1.730 20.713 19.000 -0.029 0.000 1.277 166 A HN 0.023 nan 8.150 nan 0.000 0.419 167 D N 0.315 120.775 120.400 0.101 0.000 2.891 167 D HA 0.499 5.139 4.640 -0.001 0.000 0.224 167 D C -2.021 174.507 176.300 0.381 0.000 1.321 167 D CA -0.087 53.981 54.000 0.113 0.000 0.929 167 D CB 1.049 41.894 40.800 0.074 0.000 1.551 167 D HN 0.165 nan 8.370 nan 0.000 0.574 168 F N 3.451 123.390 119.950 -0.018 0.000 2.427 168 F HA 0.237 4.764 4.527 -0.000 0.000 0.348 168 F C 0.594 176.380 175.800 -0.025 0.000 1.125 168 F CA -1.104 56.882 58.000 -0.024 0.000 0.989 168 F CB 1.344 40.323 39.000 -0.035 0.000 1.165 168 F HN 0.273 nan 8.300 nan 0.000 0.442 169 D N 1.293 121.767 120.400 0.123 0.000 2.529 169 D HA 0.467 5.107 4.640 -0.001 0.000 0.273 169 D C 1.088 177.399 176.300 0.017 0.000 1.197 169 D CA -0.496 53.539 54.000 0.059 0.000 1.070 169 D CB 0.394 41.215 40.800 0.035 0.000 1.134 169 D HN 0.389 nan 8.370 nan 0.000 0.590 170 A N -0.053 122.771 122.820 0.006 0.000 1.908 170 A HA -0.034 4.286 4.320 -0.001 0.000 0.218 170 A C 2.170 179.733 177.584 -0.035 0.000 1.181 170 A CA 2.908 54.938 52.037 -0.011 0.000 0.627 170 A CB -1.394 17.602 19.000 -0.007 0.000 0.818 170 A HN 0.701 nan 8.150 nan 0.000 0.445 171 A N -0.163 122.636 122.820 -0.035 0.000 1.877 171 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 171 A C 2.136 179.664 177.584 -0.093 0.000 1.186 171 A CA 1.534 53.541 52.037 -0.050 0.000 0.620 171 A CB -0.621 18.359 19.000 -0.034 0.000 0.822 171 A HN 0.497 nan 8.150 nan 0.000 0.443 172 I N -0.261 120.231 120.570 -0.129 0.000 2.208 172 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 172 I C 2.357 178.294 176.117 -0.300 0.000 1.097 172 I CA 0.788 61.933 61.300 -0.258 0.000 1.363 172 I CB -0.215 37.547 38.000 -0.396 0.000 1.051 172 I HN 0.265 nan 8.210 nan 0.000 0.413 173 L N 0.515 121.619 121.223 -0.198 0.000 2.012 173 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 173 L C 2.847 179.619 176.870 -0.165 0.000 1.073 173 L CA 2.317 57.059 54.840 -0.163 0.000 0.748 173 L CB -1.515 40.504 42.059 -0.066 0.000 0.891 173 L HN 0.261 nan 8.230 nan 0.000 0.431 174 A N -0.357 122.393 122.820 -0.117 0.000 1.933 174 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 174 A C 1.877 179.395 177.584 -0.109 0.000 1.175 174 A CA 1.872 53.854 52.037 -0.092 0.000 0.628 174 A CB -0.439 18.528 19.000 -0.055 0.000 0.814 174 A HN 0.423 nan 8.150 nan 0.000 0.444 175 D N 0.050 120.369 120.400 -0.136 0.000 2.123 175 D HA -0.067 4.573 4.640 -0.001 0.000 0.200 175 D C 1.904 178.054 176.300 -0.250 0.000 0.976 175 D CA 0.875 54.815 54.000 -0.100 0.000 0.831 175 D CB -0.372 40.391 40.800 -0.060 0.000 0.974 175 D HN 0.454 nan 8.370 nan 0.000 0.469 176 L N 0.189 121.107 121.223 -0.508 0.000 2.093 176 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 176 L C 2.394 178.897 176.870 -0.612 0.000 1.085 176 L CA 0.544 54.788 54.840 -0.993 0.000 0.755 176 L CB -0.276 41.286 42.059 -0.828 0.000 0.904 176 L HN 0.021 nan 8.230 nan 0.000 0.435 177 L N -0.409 120.634 121.223 -0.300 0.000 2.201 177 L HA -0.158 4.182 4.340 -0.001 0.000 0.212 177 L C 2.754 179.595 176.870 -0.048 0.000 1.105 177 L CA 1.215 55.969 54.840 -0.144 0.000 0.775 177 L CB -0.453 41.548 42.059 -0.096 0.000 0.913 177 L HN 0.378 nan 8.230 nan 0.000 0.440 178 S N -1.658 114.032 115.700 -0.016 0.000 2.474 178 S HA -0.119 4.351 4.470 -0.001 0.000 0.235 178 S C 0.405 175.143 174.600 0.230 0.000 0.997 178 S CA -0.179 58.078 58.200 0.094 0.000 0.949 178 S CB -0.357 62.908 63.200 0.108 0.000 0.766 178 S HN 0.225 nan 8.310 nan 0.000 0.517 179 W N 2.842 124.124 121.300 -0.029 0.000 2.216 179 W HA 0.390 5.049 4.660 -0.001 0.000 0.326 179 W C -2.007 174.500 176.519 -0.020 0.000 1.319 179 W CA -2.571 54.757 57.345 -0.027 0.000 1.213 179 W CB -0.274 29.166 29.460 -0.033 0.000 1.171 179 W HN 0.137 nan 8.180 nan 0.000 0.557 180 P HA -0.152 nan 4.420 nan 0.000 0.221 180 P C 0.859 178.227 177.300 0.114 0.000 1.150 180 P CA 1.550 64.715 63.100 0.108 0.000 0.800 180 P CB 0.429 32.159 31.700 0.051 0.000 0.787 181 E N -0.850 119.442 120.200 0.153 0.000 2.338 181 E HA -0.044 4.306 4.350 -0.001 0.000 0.197 181 E C 0.665 177.353 176.600 0.147 0.000 1.007 181 E CA 0.580 57.068 56.400 0.148 0.000 0.849 181 E CB -0.300 29.502 29.700 0.170 0.000 0.774 181 E HN 0.237 nan 8.360 nan 0.000 0.506 182 I N 0.575 121.238 120.570 0.156 0.000 2.331 182 I HA 0.162 4.332 4.170 -0.001 0.000 0.292 182 I C 1.222 177.364 176.117 0.043 0.000 0.998 182 I CA 0.059 61.400 61.300 0.068 0.000 1.267 182 I CB 1.413 39.403 38.000 -0.016 0.000 1.386 182 I HN 0.036 nan 8.210 nan 0.000 0.476 183 G N 3.948 112.767 108.800 0.031 0.000 3.126 183 G HA2 0.506 4.465 3.960 -0.001 0.000 0.224 183 G HA3 0.506 4.465 3.960 -0.001 0.000 0.224 183 G C 0.524 175.434 174.900 0.016 0.000 1.142 183 G CA 0.418 45.536 45.100 0.030 0.000 0.759 183 G HN 0.885 nan 8.290 nan 0.000 0.550 184 G N -0.506 108.295 108.800 0.002 0.000 2.345 184 G HA2 0.272 4.231 3.960 -0.001 0.000 0.285 184 G HA3 0.272 4.231 3.960 -0.001 0.000 0.285 184 G C -1.551 173.342 174.900 -0.012 0.000 1.297 184 G CA -1.005 44.092 45.100 -0.005 0.000 0.875 184 G HN 0.156 nan 8.290 nan 0.000 0.506 185 I N 1.583 122.150 120.570 -0.006 0.000 2.385 185 I HA 0.557 4.727 4.170 -0.001 0.000 0.294 185 I C 1.052 177.195 176.117 0.043 0.000 0.988 185 I CA -0.618 60.683 61.300 0.002 0.000 1.265 185 I CB 1.646 39.640 38.000 -0.010 0.000 1.388 185 I HN 0.797 nan 8.210 nan 0.000 0.480 186 A N 5.170 128.032 122.820 0.070 0.000 2.313 186 A HA 0.246 4.566 4.320 -0.001 0.000 0.261 186 A C 0.159 177.842 177.584 0.166 0.000 1.090 186 A CA -0.579 51.544 52.037 0.143 0.000 0.807 186 A CB 0.127 19.229 19.000 0.169 0.000 1.055 186 A HN 0.837 nan 8.150 nan 0.000 0.492 187 E N 0.883 121.249 120.200 0.275 0.000 2.966 187 E HA 0.050 4.400 4.350 -0.001 0.000 0.254 187 E C -0.582 176.126 176.600 0.179 0.000 0.923 187 E CA 0.361 56.931 56.400 0.282 0.000 0.960 187 E CB -0.305 29.690 29.700 0.490 0.000 0.901 187 E HN 0.406 nan 8.360 nan 0.000 0.525 193 G N 0.870 109.707 108.800 0.061 0.000 2.432 193 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.219 193 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.219 193 G C 1.262 176.212 174.900 0.084 0.000 1.135 193 G CA 1.365 46.502 45.100 0.062 0.000 0.767 193 G HN 0.097 nan 8.290 nan 0.000 0.550 194 V N 0.824 120.823 119.914 0.141 0.000 2.302 194 V HA -0.017 4.103 4.120 -0.001 0.000 0.243 194 V C 2.717 178.902 176.094 0.152 0.000 1.036 194 V CA 1.175 63.574 62.300 0.165 0.000 1.020 194 V CB -0.332 31.678 31.823 0.311 0.000 0.657 194 V HN 0.342 nan 8.190 nan 0.000 0.453 195 I N -0.021 120.656 120.570 0.179 0.000 2.286 195 I HA -0.169 4.000 4.170 -0.001 0.000 0.248 195 I C 2.192 178.353 176.117 0.073 0.000 1.115 195 I CA 1.296 62.673 61.300 0.127 0.000 1.392 195 I CB -0.190 37.861 38.000 0.085 0.000 1.065 195 I HN 0.318 nan 8.210 nan 0.000 0.418 196 E N 0.644 120.880 120.200 0.060 0.000 2.479 196 E HA -0.010 4.340 4.350 -0.001 0.000 0.193 196 E C 0.312 176.934 176.600 0.038 0.000 1.049 196 E CA -0.118 56.307 56.400 0.041 0.000 0.870 196 E CB 0.127 29.847 29.700 0.034 0.000 0.944 196 E HN 0.160 nan 8.360 nan 0.000 0.492 197 R N 2.011 122.537 120.500 0.044 0.000 3.336 197 R HA -0.133 4.207 4.340 -0.001 0.000 0.260 197 R C -1.229 175.089 176.300 0.029 0.000 1.032 197 R CA 0.286 56.407 56.100 0.035 0.000 0.693 197 R CB -1.965 28.351 30.300 0.026 0.000 1.134 197 R HN -0.004 nan 8.270 nan 0.000 0.433 198 D N 0.070 120.490 120.400 0.033 0.000 2.443 198 D HA 0.044 4.683 4.640 -0.001 0.000 0.239 198 D C -1.065 175.249 176.300 0.023 0.000 1.136 198 D CA -1.455 52.562 54.000 0.028 0.000 0.879 198 D CB 0.755 41.574 40.800 0.030 0.000 1.195 198 D HN 0.097 nan 8.370 nan 0.000 0.443 199 P HA -0.119 nan 4.420 nan 0.000 0.215 199 P C 0.679 177.988 177.300 0.015 0.000 1.153 199 P CA 1.004 64.112 63.100 0.015 0.000 0.853 199 P CB 0.306 32.014 31.700 0.013 0.000 0.788 203 G N 1.734 110.535 108.800 0.002 0.000 2.448 203 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.219 203 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.219 203 G C 1.134 176.029 174.900 -0.009 0.000 1.127 203 G CA 0.954 46.052 45.100 -0.003 0.000 0.766 203 G HN 0.492 nan 8.290 nan 0.000 0.552 204 I N 0.003 120.570 120.570 -0.005 0.000 2.333 204 I HA -0.091 4.079 4.170 -0.001 0.000 0.246 204 I C 2.732 178.836 176.117 -0.022 0.000 1.106 204 I CA 0.278 61.572 61.300 -0.010 0.000 1.411 204 I CB -0.057 37.946 38.000 0.005 0.000 1.082 204 I HN 0.015 nan 8.210 nan 0.000 0.420 205 V N 0.503 120.402 119.914 -0.026 0.000 2.255 205 V HA -0.297 3.822 4.120 -0.001 0.000 0.247 205 V C 2.516 178.587 176.094 -0.038 0.000 1.051 205 V CA 1.670 63.944 62.300 -0.044 0.000 1.018 205 V CB -0.714 31.076 31.823 -0.055 0.000 0.641 205 V HN 0.444 nan 8.190 nan 0.000 0.445 206 Q N -0.132 119.651 119.800 -0.028 0.000 2.112 206 Q HA -0.223 4.117 4.340 -0.001 0.000 0.206 206 Q C 2.434 178.419 176.000 -0.025 0.000 0.987 206 Q CA 2.091 57.880 55.803 -0.024 0.000 0.858 206 Q CB -0.816 27.912 28.738 -0.016 0.000 0.905 206 Q HN 0.672 nan 8.270 nan 0.000 0.420 207 A N 0.759 123.563 122.820 -0.027 0.000 1.908 207 A HA -0.104 4.216 4.320 -0.001 0.000 0.218 207 A C 2.380 179.943 177.584 -0.034 0.000 1.181 207 A CA 1.877 53.896 52.037 -0.031 0.000 0.627 207 A CB -1.084 17.893 19.000 -0.038 0.000 0.818 207 A HN 0.465 nan 8.150 nan 0.000 0.445 208 G N -0.306 108.472 108.800 -0.037 0.000 2.418 208 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.217 208 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.217 208 G C 1.558 176.438 174.900 -0.033 0.000 1.158 208 G CA 1.026 46.103 45.100 -0.038 0.000 0.771 208 G HN 0.436 nan 8.290 nan 0.000 0.545 209 L N 0.600 121.803 121.223 -0.034 0.000 2.056 209 L HA 0.013 4.352 4.340 -0.001 0.000 0.207 209 L C 3.389 180.246 176.870 -0.022 0.000 1.078 209 L CA 0.950 55.772 54.840 -0.029 0.000 0.749 209 L CB -0.393 41.648 42.059 -0.031 0.000 0.901 209 L HN 0.288 nan 8.230 nan 0.000 0.433 210 A N 0.070 122.877 122.820 -0.021 0.000 1.972 210 A HA -0.122 4.198 4.320 -0.001 0.000 0.219 210 A C 2.408 179.984 177.584 -0.014 0.000 1.169 210 A CA 1.638 53.666 52.037 -0.016 0.000 0.635 210 A CB -0.587 18.404 19.000 -0.015 0.000 0.810 210 A HN 0.396 nan 8.150 nan 0.000 0.446 211 A N -0.978 121.832 122.820 -0.017 0.000 2.167 211 A HA 0.187 4.507 4.320 -0.001 0.000 0.214 211 A C 0.704 178.283 177.584 -0.009 0.000 1.151 211 A CA 0.891 52.921 52.037 -0.013 0.000 0.735 211 A CB -0.478 18.511 19.000 -0.019 0.000 0.802 211 A HN 0.618 nan 8.150 nan 0.000 0.467 212 E N -0.808 119.384 120.200 -0.012 0.000 2.389 212 E HA -0.211 4.139 4.350 -0.001 0.000 0.243 212 E C -0.390 176.206 176.600 -0.007 0.000 1.154 212 E CA 0.932 57.326 56.400 -0.010 0.000 0.723 212 E CB -1.647 28.049 29.700 -0.006 0.000 1.261 212 E HN 0.737 nan 8.360 nan 0.000 0.390 213 K N -0.067 120.327 120.400 -0.011 0.000 2.316 213 K HA 0.579 4.899 4.320 -0.001 0.000 0.234 213 K C 0.423 177.016 176.600 -0.011 0.000 1.054 213 K CA -1.079 55.204 56.287 -0.006 0.000 0.879 213 K CB 1.159 33.656 32.500 -0.005 0.000 1.252 213 K HN -0.040 nan 8.250 nan 0.000 0.471 214 L N 1.213 122.433 121.223 -0.004 0.000 2.483 214 L HA 0.094 4.434 4.340 -0.001 0.000 0.276 214 L C -0.278 176.582 176.870 -0.015 0.000 1.213 214 L CA -0.251 54.585 54.840 -0.006 0.000 0.843 214 L CB 0.148 42.212 42.059 0.009 0.000 1.107 214 L HN 0.208 nan 8.230 nan 0.000 0.487 215 V N 2.046 121.942 119.914 -0.030 0.000 2.380 215 V HA 0.211 4.331 4.120 -0.001 0.000 0.286 215 V C -0.216 175.848 176.094 -0.051 0.000 1.015 215 V CA -0.522 61.749 62.300 -0.048 0.000 0.834 215 V CB 1.402 33.174 31.823 -0.084 0.000 1.009 215 V HN 0.848 nan 8.190 nan 0.000 0.428 216 C N 3.954 123.251 119.300 -0.006 0.000 2.365 216 C HA 0.859 5.319 4.460 -0.001 0.000 0.351 216 C C 1.097 176.108 174.990 0.036 0.000 1.240 216 C CA -0.426 58.611 59.018 0.030 0.000 2.062 216 C CB 0.673 28.476 27.740 0.105 0.000 2.387 216 C HN 0.994 nan 8.230 nan 0.000 0.537 217 G N 0.099 108.920 108.800 0.035 0.000 2.489 217 G HA2 0.596 4.556 3.960 -0.001 0.000 0.327 217 G HA3 0.596 4.556 3.960 -0.001 0.000 0.327 217 G C -1.580 173.400 174.900 0.134 0.000 1.189 217 G CA -0.251 44.922 45.100 0.123 0.000 0.962 217 G HN 0.892 nan 8.290 nan 0.000 0.486 218 H N -0.730 118.429 119.070 0.148 0.000 2.800 218 H HA 0.590 5.145 4.556 -0.001 0.000 0.322 218 H C 0.049 175.351 175.328 -0.042 0.000 0.979 218 H CA -0.368 55.636 56.048 -0.072 0.000 1.277 218 H CB 1.467 31.253 29.762 0.040 0.000 1.484 218 H HN 0.539 nan 8.280 nan 0.000 0.512 219 A N 5.784 128.413 122.820 -0.318 0.000 2.793 219 A HA 0.187 4.507 4.320 -0.001 0.000 0.301 219 A C 0.540 177.928 177.584 -0.327 0.000 1.172 219 A CA -0.628 51.232 52.037 -0.295 0.000 0.973 219 A CB -0.232 18.708 19.000 -0.100 0.000 1.164 219 A HN 0.727 nan 8.150 nan 0.000 0.542 220 R N 0.431 120.669 120.500 -0.437 0.000 2.458 220 R HA 0.309 4.649 4.340 -0.001 0.000 0.303 220 R C 1.239 177.461 176.300 -0.130 0.000 1.013 220 R CA 1.427 57.361 56.100 -0.276 0.000 1.026 220 R CB -0.039 30.103 30.300 -0.264 0.000 0.948 220 R HN 1.014 nan 8.270 nan 0.000 0.417 221 G N 3.769 112.521 108.800 -0.081 0.000 2.184 221 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.264 221 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.264 221 G C 0.197 175.056 174.900 -0.069 0.000 0.975 221 G CA 0.238 45.313 45.100 -0.043 0.000 0.642 221 G HN 0.533 nan 8.290 nan 0.000 0.536 222 L N 0.236 121.389 121.223 -0.117 0.000 2.410 222 L HA 0.504 4.843 4.340 -0.001 0.000 0.273 222 L C 0.706 177.535 176.870 -0.068 0.000 1.152 222 L CA 0.324 55.093 54.840 -0.118 0.000 0.855 222 L CB 0.821 42.762 42.059 -0.198 0.000 1.129 222 L HN 0.096 nan 8.230 nan 0.000 0.463 223 K N 2.532 122.903 120.400 -0.048 0.000 2.477 223 K HA 0.414 4.733 4.320 -0.001 0.000 0.255 223 K C -0.149 176.441 176.600 -0.016 0.000 0.952 223 K CA -0.766 55.505 56.287 -0.027 0.000 0.826 223 K CB 2.262 34.748 32.500 -0.023 0.000 1.331 223 K HN 0.681 nan 8.250 nan 0.000 0.437 224 N N 0.302 118.998 118.700 -0.007 0.000 1.414 224 N HA -0.430 4.310 4.740 -0.001 0.000 0.142 224 N C 1.165 176.678 175.510 0.006 0.000 0.587 224 N CA 1.850 54.899 53.050 -0.001 0.000 1.068 224 N CB -1.050 37.436 38.487 -0.002 0.000 1.317 224 N HN 0.642 nan 8.380 nan 0.000 0.463 225 A N 0.108 122.931 122.820 0.005 0.000 1.902 225 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 225 A C 1.689 179.284 177.584 0.018 0.000 1.181 225 A CA 2.365 54.408 52.037 0.011 0.000 0.623 225 A CB -0.615 18.390 19.000 0.008 0.000 0.818 225 A HN 0.580 nan 8.150 nan 0.000 0.443 226 D N -0.593 119.811 120.400 0.006 0.000 2.117 226 D HA -0.117 4.523 4.640 -0.001 0.000 0.197 226 D C 1.849 178.166 176.300 0.027 0.000 0.987 226 D CA 1.224 55.224 54.000 0.001 0.000 0.829 226 D CB -0.320 40.455 40.800 -0.041 0.000 0.961 226 D HN 0.337 nan 8.370 nan 0.000 0.460 227 L N 1.160 122.395 121.223 0.021 0.000 2.027 227 L HA -0.105 4.234 4.340 -0.001 0.000 0.206 227 L C 1.567 178.498 176.870 0.101 0.000 1.074 227 L CA 1.685 56.565 54.840 0.066 0.000 0.745 227 L CB -0.814 41.263 42.059 0.030 0.000 0.898 227 L HN -0.055 nan 8.230 nan 0.000 0.433 228 N N -0.357 118.378 118.700 0.058 0.000 2.060 228 N HA -0.252 4.488 4.740 -0.001 0.000 0.195 228 N C 1.819 177.371 175.510 0.069 0.000 1.028 228 N CA 1.746 54.826 53.050 0.051 0.000 0.861 228 N CB -0.369 38.136 38.487 0.030 0.000 1.029 228 N HN 0.541 nan 8.380 nan 0.000 0.428 229 A N 0.302 123.171 122.820 0.081 0.000 1.930 229 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 229 A C 0.960 178.639 177.584 0.158 0.000 1.175 229 A CA 0.566 52.658 52.037 0.093 0.000 0.627 229 A CB -0.595 18.451 19.000 0.077 0.000 0.815 229 A HN 0.255 nan 8.150 nan 0.000 0.443 233 A N -0.322 122.477 122.820 -0.035 0.000 2.066 233 A HA 0.419 4.739 4.320 -0.001 0.000 0.218 233 A C 2.051 179.582 177.584 -0.089 0.000 1.157 233 A CA 1.885 53.889 52.037 -0.055 0.000 0.670 233 A CB -0.559 18.401 19.000 -0.066 0.000 0.804 233 A HN 2.337 nan 8.150 nan 0.000 0.453 234 G N -2.509 106.222 108.800 -0.114 0.000 2.183 234 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.168 234 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.168 234 G C 0.017 174.812 174.900 -0.175 0.000 1.008 234 G CA -0.095 44.934 45.100 -0.117 0.000 0.677 234 G HN 0.673 nan 8.290 nan 0.000 0.498 235 V N 2.062 121.799 119.914 -0.294 0.000 2.530 235 V HA 0.546 4.666 4.120 -0.001 0.000 0.282 235 V C 1.341 177.307 176.094 -0.214 0.000 1.048 235 V CA 1.015 63.087 62.300 -0.379 0.000 0.997 235 V CB 1.509 32.787 31.823 -0.909 0.000 0.987 235 V HN 0.907 nan 8.190 nan 0.000 0.477 236 S N 1.218 116.835 115.700 -0.137 0.000 2.733 236 S HA 0.271 4.741 4.470 -0.001 0.000 0.247 236 S C 0.349 174.920 174.600 -0.049 0.000 1.043 236 S CA 0.204 58.358 58.200 -0.076 0.000 1.066 236 S CB 0.383 63.547 63.200 -0.059 0.000 1.045 236 S HN 0.915 nan 8.310 nan 0.000 0.586 237 S N 0.295 115.968 115.700 -0.046 0.000 2.651 237 S HA 0.798 5.267 4.470 -0.001 0.000 0.279 237 S C -1.931 172.645 174.600 -0.040 0.000 1.148 237 S CA -0.472 57.709 58.200 -0.031 0.000 0.837 237 S CB 2.167 65.360 63.200 -0.010 0.000 1.138 237 S HN 0.175 nan 8.310 nan 0.000 0.478 238 D N -1.245 119.107 120.400 -0.081 0.000 2.803 238 D HA 0.350 4.990 4.640 -0.001 0.000 0.218 238 D C -0.130 176.032 176.300 -0.231 0.000 1.245 238 D CA -0.552 53.328 54.000 -0.200 0.000 0.821 238 D CB 1.152 41.854 40.800 -0.163 0.000 1.626 238 D HN 0.764 nan 8.370 nan 0.000 0.487 239 H N 1.002 119.971 119.070 -0.167 0.000 2.986 239 H HA 0.287 4.842 4.556 -0.001 0.000 0.267 239 H C -0.486 174.776 175.328 -0.111 0.000 1.072 239 H CA -0.205 55.748 56.048 -0.159 0.000 1.202 239 H CB 0.654 30.286 29.762 -0.217 0.000 1.535 239 H HN 0.212 nan 8.280 nan 0.000 0.522 240 E N 2.283 122.238 120.200 -0.408 0.000 2.261 240 E HA 0.223 4.573 4.350 -0.001 0.000 0.308 240 E C -0.343 176.190 176.600 -0.111 0.000 1.400 240 E CA -0.128 56.136 56.400 -0.226 0.000 1.542 240 E CB 0.304 29.713 29.700 -0.486 0.000 1.369 240 E HN 0.466 nan 8.360 nan 0.000 0.493 241 L N 1.521 122.736 121.223 -0.013 0.000 2.281 241 L HA 0.118 4.457 4.340 -0.001 0.000 0.285 241 L C 1.551 178.525 176.870 0.174 0.000 1.074 241 L CA -0.395 54.463 54.840 0.029 0.000 0.817 241 L CB 1.188 43.186 42.059 -0.102 0.000 1.168 241 L HN 0.115 nan 8.230 nan 0.000 0.434 242 V N -0.371 119.610 119.914 0.112 0.000 3.590 242 V HA 0.245 4.365 4.120 -0.001 0.000 0.265 242 V C 0.631 176.768 176.094 0.071 0.000 1.239 242 V CA 0.628 62.978 62.300 0.082 0.000 1.117 242 V CB 0.104 31.961 31.823 0.056 0.000 0.818 242 V HN 0.800 nan 8.190 nan 0.000 0.451 243 S N -2.073 113.716 115.700 0.149 0.000 2.627 243 S HA 0.585 5.055 4.470 -0.001 0.000 0.268 243 S C 0.741 175.466 174.600 0.209 0.000 1.130 243 S CA 0.033 58.289 58.200 0.092 0.000 0.819 243 S CB 0.733 63.957 63.200 0.039 0.000 1.100 243 S HN 0.689 nan 8.310 nan 0.000 0.465 244 G N 0.614 109.488 108.800 0.123 0.000 2.422 244 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.218 244 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.218 244 G C 0.819 175.781 174.900 0.104 0.000 1.146 244 G CA 1.261 46.461 45.100 0.166 0.000 0.769 244 G HN 0.806 nan 8.290 nan 0.000 0.547 245 E N 0.600 120.837 120.200 0.062 0.000 2.077 245 E HA -0.045 4.305 4.350 -0.001 0.000 0.193 245 E C 2.035 178.653 176.600 0.030 0.000 0.989 245 E CA 1.099 57.520 56.400 0.036 0.000 0.800 245 E CB -0.262 29.451 29.700 0.022 0.000 0.746 245 E HN 0.371 nan 8.360 nan 0.000 0.452 246 D N -0.051 120.374 120.400 0.042 0.000 2.104 246 D HA -0.121 4.519 4.640 -0.001 0.000 0.194 246 D C 0.818 177.115 176.300 -0.006 0.000 0.994 246 D CA 0.408 54.420 54.000 0.020 0.000 0.830 246 D CB -0.092 40.728 40.800 0.034 0.000 0.959 246 D HN 0.034 nan 8.370 nan 0.000 0.452 250 K N 0.577 120.954 120.400 -0.038 0.000 2.155 250 K HA 0.172 4.491 4.320 -0.001 0.000 0.203 250 K C 1.686 178.256 176.600 -0.050 0.000 1.052 250 K CA 1.326 57.586 56.287 -0.046 0.000 0.948 250 K CB -0.209 32.250 32.500 -0.068 0.000 0.728 250 K HN 0.515 nan 8.250 nan 0.000 0.448 251 L N 0.520 121.708 121.223 -0.058 0.000 2.005 251 L HA -0.186 4.154 4.340 -0.001 0.000 0.207 251 L C 2.383 179.231 176.870 -0.036 0.000 1.072 251 L CA 1.390 56.194 54.840 -0.059 0.000 0.744 251 L CB -0.326 41.689 42.059 -0.073 0.000 0.895 251 L HN 0.112 nan 8.230 nan 0.000 0.433 252 R N -0.042 120.442 120.500 -0.026 0.000 2.117 252 R HA -0.180 4.160 4.340 -0.001 0.000 0.243 252 R C 2.211 178.504 176.300 -0.011 0.000 1.143 252 R CA 1.389 57.481 56.100 -0.013 0.000 0.968 252 R CB -0.569 29.728 30.300 -0.006 0.000 0.863 252 R HN 0.373 nan 8.270 nan 0.000 0.444 253 A N -0.023 122.789 122.820 -0.013 0.000 2.168 253 A HA 0.133 4.453 4.320 -0.001 0.000 0.215 253 A C 1.540 179.118 177.584 -0.009 0.000 1.152 253 A CA 1.003 53.036 52.037 -0.007 0.000 0.716 253 A CB -0.210 18.789 19.000 -0.001 0.000 0.794 253 A HN 0.493 nan 8.150 nan 0.000 0.465 254 G N -1.669 107.120 108.800 -0.018 0.000 2.131 254 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.223 254 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.223 254 G C 0.012 174.897 174.900 -0.025 0.000 0.990 254 G CA 0.131 45.219 45.100 -0.020 0.000 0.671 254 G HN 0.408 nan 8.290 nan 0.000 0.521 255 L N 1.258 122.464 121.223 -0.029 0.000 2.417 255 L HA 0.406 4.746 4.340 -0.001 0.000 0.268 255 L C 1.182 178.025 176.870 -0.045 0.000 1.158 255 L CA -0.391 54.428 54.840 -0.034 0.000 0.819 255 L CB 0.818 42.857 42.059 -0.035 0.000 1.112 255 L HN 0.115 nan 8.230 nan 0.000 0.458 256 T N 3.943 118.472 114.554 -0.041 0.000 2.853 256 T HA 0.197 4.547 4.350 -0.001 0.000 0.298 256 T C 0.192 174.860 174.700 -0.054 0.000 0.978 256 T CA -0.162 61.912 62.100 -0.043 0.000 1.152 256 T CB 0.021 68.872 68.868 -0.028 0.000 0.914 256 T HN 0.148 nan 8.240 nan 0.000 0.539 257 I N 3.838 124.365 120.570 -0.072 0.000 2.331 257 I HA 0.243 4.413 4.170 -0.001 0.000 0.292 257 I C 0.597 176.671 176.117 -0.072 0.000 0.998 257 I CA -0.561 60.681 61.300 -0.096 0.000 1.267 257 I CB 1.082 38.997 38.000 -0.140 0.000 1.386 257 I HN 0.685 nan 8.210 nan 0.000 0.476 258 E N 5.799 125.968 120.200 -0.052 0.000 2.070 258 E HA 0.271 4.620 4.350 -0.001 0.000 0.261 258 E C -0.732 175.855 176.600 -0.021 0.000 0.926 258 E CA -0.690 55.709 56.400 -0.003 0.000 0.760 258 E CB 1.410 31.147 29.700 0.061 0.000 1.133 258 E HN 0.274 nan 8.360 nan 0.000 0.420 259 L N 4.606 125.794 121.223 -0.059 0.000 2.295 259 L HA 0.184 4.524 4.340 -0.001 0.000 0.288 259 L C 0.123 176.995 176.870 0.003 0.000 1.079 259 L CA -0.020 54.756 54.840 -0.107 0.000 0.830 259 L CB -0.001 41.969 42.059 -0.149 0.000 1.200 259 L HN 0.407 nan 8.230 nan 0.000 0.438 260 R N 2.755 123.291 120.500 0.060 0.000 2.500 260 R HA 0.635 4.975 4.340 -0.001 0.000 0.277 260 R C 0.499 176.879 176.300 0.134 0.000 1.026 260 R CA -0.232 55.923 56.100 0.093 0.000 1.058 260 R CB 0.829 31.185 30.300 0.094 0.000 1.078 260 R HN 0.639 nan 8.270 nan 0.000 0.509 261 G N 0.037 108.887 108.800 0.083 0.000 3.088 261 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.217 261 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.217 261 G C 0.979 175.912 174.900 0.054 0.000 1.159 261 G CA 0.115 45.269 45.100 0.090 0.000 0.760 261 G HN 0.725 nan 8.290 nan 0.000 0.550 262 S N -0.369 115.328 115.700 -0.005 0.000 2.522 262 S HA 0.036 4.506 4.470 -0.001 0.000 0.227 262 S C 0.659 175.148 174.600 -0.186 0.000 0.986 262 S CA 0.119 58.246 58.200 -0.121 0.000 0.929 262 S CB -0.133 62.936 63.200 -0.218 0.000 0.769 262 S HN 0.291 nan 8.310 nan 0.000 0.529 263 H N 1.554 120.667 119.070 0.070 0.000 2.632 263 H HA 0.355 4.911 4.556 -0.001 0.000 0.258 263 H C 0.138 175.464 175.328 -0.003 0.000 1.278 263 H CA -0.436 55.652 56.048 0.067 0.000 1.352 263 H CB 0.881 30.655 29.762 0.021 0.000 1.418 263 H HN 0.397 nan 8.280 nan 0.000 0.513 264 D N 1.125 121.641 120.400 0.193 0.000 2.123 264 D HA -0.201 4.438 4.640 -0.001 0.000 0.196 264 D C 2.213 178.527 176.300 0.025 0.000 0.992 264 D CA 1.262 55.350 54.000 0.145 0.000 0.833 264 D CB 0.262 41.183 40.800 0.202 0.000 0.954 264 D HN 0.690 nan 8.370 nan 0.000 0.455 265 H N 0.310 119.365 119.070 -0.027 0.000 2.489 265 H HA -0.098 4.458 4.556 -0.001 0.000 0.295 265 H C 1.900 177.057 175.328 -0.286 0.000 1.082 265 H CA 0.805 56.772 56.048 -0.135 0.000 1.295 265 H CB -0.661 29.050 29.762 -0.086 0.000 1.380 265 H HN 0.311 nan 8.280 nan 0.000 0.548 266 L N 0.517 121.229 121.223 -0.852 0.000 2.492 266 L HA 0.020 4.359 4.340 -0.001 0.000 0.223 266 L C 2.636 178.855 176.870 -1.084 0.000 1.132 266 L CA 0.005 54.263 54.840 -0.969 0.000 0.850 266 L CB -0.139 41.314 42.059 -1.011 0.000 0.966 266 L HN 0.160 nan 8.230 nan 0.000 0.454 267 L N 0.439 121.244 121.223 -0.697 0.000 2.083 267 L HA -0.128 4.211 4.340 -0.001 0.000 0.209 267 L C -0.158 176.412 176.870 -0.500 0.000 1.083 267 L CA 1.272 55.839 54.840 -0.455 0.000 0.752 267 L CB -1.804 40.200 42.059 -0.092 0.000 0.899 267 L HN 0.262 nan 8.230 nan 0.000 0.433 268 P HA -0.154 nan 4.420 nan 0.000 0.218 268 P C 1.132 178.275 177.300 -0.262 0.000 1.149 268 P CA 1.301 64.111 63.100 -0.483 0.000 0.817 268 P CB 0.023 31.419 31.700 -0.506 0.000 0.785 269 E N -1.231 118.764 120.200 -0.341 0.000 2.107 269 E HA -0.101 4.248 4.350 -0.001 0.000 0.191 269 E C 1.793 178.371 176.600 -0.036 0.000 0.982 269 E CA 0.803 57.083 56.400 -0.200 0.000 0.809 269 E CB -0.527 29.021 29.700 -0.252 0.000 0.756 269 E HN 0.187 nan 8.360 nan 0.000 0.459 270 F N 0.977 120.882 119.950 -0.076 0.000 2.102 270 F HA -0.159 4.367 4.527 -0.001 0.000 0.298 270 F C 2.385 178.184 175.800 -0.002 0.000 1.105 270 F CA 0.471 58.449 58.000 -0.037 0.000 1.239 270 F CB -1.178 37.803 39.000 -0.032 0.000 0.991 270 F HN -0.147 nan 8.300 nan 0.000 0.474 271 V N 0.292 120.308 119.914 0.170 0.000 2.295 271 V HA -0.298 3.822 4.120 -0.001 0.000 0.246 271 V C 2.670 178.828 176.094 0.107 0.000 1.049 271 V CA 1.839 64.222 62.300 0.138 0.000 1.024 271 V CB -1.530 30.358 31.823 0.109 0.000 0.648 271 V HN 0.350 nan 8.190 nan 0.000 0.447 272 A N -0.065 122.791 122.820 0.059 0.000 1.933 272 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 272 A C 2.429 180.057 177.584 0.073 0.000 1.175 272 A CA 2.105 54.172 52.037 0.050 0.000 0.628 272 A CB -0.776 18.233 19.000 0.015 0.000 0.814 272 A HN 0.577 nan 8.150 nan 0.000 0.444 273 A N -0.129 122.743 122.820 0.087 0.000 1.877 273 A HA -0.060 4.260 4.320 -0.001 0.000 0.216 273 A C 2.180 179.819 177.584 0.090 0.000 1.186 273 A CA 1.577 53.665 52.037 0.085 0.000 0.620 273 A CB -0.641 18.418 19.000 0.098 0.000 0.822 273 A HN 0.478 nan 8.150 nan 0.000 0.443 274 L N -0.354 120.941 121.223 0.120 0.000 2.056 274 L HA -0.183 4.156 4.340 -0.001 0.000 0.207 274 L C 2.223 179.253 176.870 0.267 0.000 1.078 274 L CA 1.208 56.134 54.840 0.144 0.000 0.749 274 L CB -0.742 41.428 42.059 0.185 0.000 0.901 274 L HN 0.324 nan 8.230 nan 0.000 0.433 275 N N -0.415 118.438 118.700 0.254 0.000 2.205 275 N HA -0.149 4.590 4.740 -0.001 0.000 0.186 275 N C 1.777 177.384 175.510 0.162 0.000 1.015 275 N CA 1.718 54.892 53.050 0.207 0.000 0.862 275 N CB -0.510 38.024 38.487 0.079 0.000 0.986 275 N HN 0.310 nan 8.380 nan 0.000 0.429 276 T N 0.778 115.406 114.554 0.123 0.000 2.995 276 T HA -0.014 4.336 4.350 -0.001 0.000 0.269 276 T C 1.825 176.591 174.700 0.111 0.000 1.091 276 T CA 0.272 62.429 62.100 0.095 0.000 1.128 276 T CB -0.004 68.904 68.868 0.067 0.000 0.891 276 T HN 0.048 nan 8.240 nan 0.000 0.492 277 L N 0.440 121.740 121.223 0.127 0.000 2.162 277 L HA 0.347 4.686 4.340 -0.001 0.000 0.205 277 L C 1.937 178.943 176.870 0.227 0.000 1.086 277 L CA 1.614 56.532 54.840 0.130 0.000 0.778 277 L CB -0.580 41.495 42.059 0.028 0.000 0.928 277 L HN 0.447 nan 8.230 nan 0.000 0.446 278 G N -1.304 107.672 108.800 0.293 0.000 2.157 278 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.239 278 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.239 278 G C 0.261 175.457 174.900 0.494 0.000 0.982 278 G CA 0.278 45.608 45.100 0.384 0.000 0.650 278 G HN 0.799 nan 8.290 nan 0.000 0.527 279 H N -2.152 116.964 119.070 0.078 0.000 3.064 279 H HA 0.574 5.130 4.556 -0.001 0.000 0.352 279 H C -1.586 173.259 175.328 -0.805 0.000 1.260 279 H CA -1.056 54.800 56.048 -0.320 0.000 1.160 279 H CB 1.127 30.805 29.762 -0.140 0.000 1.879 279 H HN 0.573 nan 8.280 nan 0.000 0.544 280 L N 3.650 124.074 121.223 -1.333 0.000 2.260 280 L HA 0.418 4.757 4.340 -0.001 0.000 0.289 280 L C -2.508 173.975 176.870 -0.645 0.000 1.057 280 L CA -1.317 52.856 54.840 -1.111 0.000 0.811 280 L CB 0.637 42.014 42.059 -1.137 0.000 1.184 280 L HN 0.432 nan 8.230 nan 0.000 0.429 281 P HA 0.050 nan 4.420 nan 0.000 0.268 281 P C -0.325 176.859 177.300 -0.193 0.000 1.205 281 P CA -0.152 62.755 63.100 -0.321 0.000 0.771 281 P CB 0.479 32.019 31.700 -0.267 0.000 0.858 282 Q N 1.001 120.738 119.800 -0.104 0.000 2.515 282 Q HA -0.072 4.268 4.340 -0.001 0.000 0.212 282 Q C 0.572 176.531 176.000 -0.069 0.000 0.970 282 Q CA 1.223 56.978 55.803 -0.079 0.000 0.941 282 Q CB -0.668 28.045 28.738 -0.042 0.000 0.998 282 Q HN 0.457 nan 8.270 nan 0.000 0.518 283 T N -2.518 111.989 114.554 -0.078 0.000 3.144 283 T HA 0.266 4.616 4.350 -0.001 0.000 0.249 283 T C 0.385 175.038 174.700 -0.078 0.000 1.089 283 T CA -0.382 61.678 62.100 -0.066 0.000 0.989 283 T CB 0.259 69.090 68.868 -0.062 0.000 0.992 283 T HN 0.049 nan 8.240 nan 0.000 0.540 284 V N 3.390 123.245 119.914 -0.098 0.000 2.383 284 V HA 0.554 4.673 4.120 -0.001 0.000 0.275 284 V C 0.688 176.741 176.094 -0.069 0.000 1.036 284 V CA -0.552 61.688 62.300 -0.100 0.000 0.889 284 V CB 0.841 32.587 31.823 -0.128 0.000 0.985 284 V HN 0.701 nan 8.190 nan 0.000 0.459 285 T N 3.679 118.202 114.554 -0.052 0.000 2.883 285 T HA 0.827 5.177 4.350 -0.001 0.000 0.284 285 T C -0.706 173.981 174.700 -0.022 0.000 1.041 285 T CA -0.863 61.222 62.100 -0.026 0.000 1.007 285 T CB 1.708 70.571 68.868 -0.009 0.000 1.220 285 T HN 0.295 nan 8.240 nan 0.000 0.552 286 L N 0.500 121.721 121.223 -0.004 0.000 2.354 286 L HA 0.822 5.162 4.340 -0.001 0.000 0.264 286 L C -0.215 176.665 176.870 0.017 0.000 1.008 286 L CA -1.096 53.745 54.840 0.001 0.000 0.819 286 L CB 2.164 44.220 42.059 -0.004 0.000 1.339 286 L HN 1.198 nan 8.230 nan 0.000 0.420 287 C N -1.541 117.775 119.300 0.026 0.000 3.288 287 C HA 0.565 5.025 4.460 -0.001 0.000 0.318 287 C C 1.187 176.189 174.990 0.019 0.000 1.356 287 C CA 0.042 59.079 59.018 0.032 0.000 1.359 287 C CB 1.397 29.184 27.740 0.080 0.000 1.688 287 C HN 0.965 nan 8.230 nan 0.000 0.467 288 T N -2.382 112.167 114.554 -0.008 0.000 3.051 288 T HA 0.140 4.489 4.350 -0.001 0.000 0.255 288 T C 0.814 175.487 174.700 -0.044 0.000 1.085 288 T CA 1.525 63.613 62.100 -0.019 0.000 1.109 288 T CB -0.347 68.515 68.868 -0.011 0.000 0.921 288 T HN 1.190 nan 8.240 nan 0.000 0.488 289 D N 2.698 123.061 120.400 -0.061 0.000 4.334 289 D HA -0.197 4.442 4.640 -0.001 0.000 0.183 289 D C -0.710 175.548 176.300 -0.070 0.000 0.667 289 D CA 2.440 56.402 54.000 -0.064 0.000 1.106 289 D CB -1.305 39.506 40.800 0.019 0.000 0.544 289 D HN 0.684 nan 8.370 nan 0.000 0.458 290 D N 0.584 120.934 120.400 -0.083 0.000 2.462 290 D HA 0.465 5.104 4.640 -0.001 0.000 0.245 290 D C -0.479 175.650 176.300 -0.286 0.000 1.122 290 D CA -0.580 53.325 54.000 -0.159 0.000 0.864 290 D CB 1.184 41.862 40.800 -0.202 0.000 1.098 290 D HN 0.176 nan 8.370 nan 0.000 0.541 291 V N 2.823 122.609 119.914 -0.214 0.000 2.370 291 V HA 0.282 4.402 4.120 -0.001 0.000 0.283 291 V C 0.066 176.061 176.094 -0.164 0.000 1.023 291 V CA -0.817 61.375 62.300 -0.181 0.000 0.857 291 V CB 0.534 32.338 31.823 -0.032 0.000 0.985 291 V HN 0.338 nan 8.190 nan 0.000 0.443 292 F N 7.366 127.234 119.950 -0.136 0.000 2.539 292 F HA 0.232 4.759 4.527 -0.001 0.000 0.340 292 F C -0.693 175.001 175.800 -0.176 0.000 1.185 292 F CA -1.668 56.174 58.000 -0.264 0.000 1.333 292 F CB 0.167 39.003 39.000 -0.273 0.000 1.152 292 F HN 0.346 nan 8.300 nan 0.000 0.602 293 P HA -0.148 nan 4.420 nan 0.000 0.217 293 P C 0.937 178.283 177.300 0.076 0.000 1.151 293 P CA 1.612 64.720 63.100 0.014 0.000 0.828 293 P CB -0.053 31.632 31.700 -0.026 0.000 0.788 294 D N 0.333 120.822 120.400 0.148 0.000 2.117 294 D HA -0.187 4.453 4.640 -0.001 0.000 0.198 294 D C 1.348 177.730 176.300 0.137 0.000 0.982 294 D CA 1.174 55.275 54.000 0.168 0.000 0.828 294 D CB -1.170 39.777 40.800 0.245 0.000 0.967 294 D HN 0.080 nan 8.370 nan 0.000 0.464 295 D N 0.301 120.802 120.400 0.168 0.000 2.144 295 D HA -0.100 4.540 4.640 -0.001 0.000 0.199 295 D C 2.238 178.577 176.300 0.064 0.000 0.984 295 D CA 0.358 54.430 54.000 0.121 0.000 0.834 295 D CB -0.269 40.617 40.800 0.142 0.000 0.955 295 D HN 0.189 nan 8.370 nan 0.000 0.465 296 L N 0.715 121.968 121.223 0.051 0.000 2.017 296 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 296 L C 2.138 178.997 176.870 -0.018 0.000 1.073 296 L CA 1.258 56.097 54.840 -0.001 0.000 0.745 296 L CB -0.608 41.440 42.059 -0.018 0.000 0.894 296 L HN -0.003 nan 8.230 nan 0.000 0.432 297 L N -0.940 120.287 121.223 0.006 0.000 2.027 297 L HA -0.175 4.165 4.340 -0.001 0.000 0.206 297 L C 2.384 179.260 176.870 0.009 0.000 1.074 297 L CA 1.779 56.620 54.840 0.002 0.000 0.745 297 L CB -0.807 41.266 42.059 0.023 0.000 0.898 297 L HN 0.336 nan 8.230 nan 0.000 0.433 298 Q N -0.562 119.254 119.800 0.027 0.000 2.123 298 Q HA 0.089 4.428 4.340 -0.001 0.000 0.196 298 Q C 2.016 178.029 176.000 0.023 0.000 0.958 298 Q CA 1.473 57.293 55.803 0.029 0.000 0.841 298 Q CB -0.546 28.219 28.738 0.045 0.000 0.915 298 Q HN 0.622 nan 8.270 nan 0.000 0.455 299 G N -0.633 108.182 108.800 0.025 0.000 2.599 299 G HA2 0.404 4.363 3.960 -0.001 0.000 0.210 299 G HA3 0.404 4.363 3.960 -0.001 0.000 0.210 299 G C 0.468 175.370 174.900 0.003 0.000 1.177 299 G CA 0.647 45.757 45.100 0.017 0.000 0.835 299 G HN 0.607 nan 8.290 nan 0.000 0.575 300 G N -1.849 106.947 108.800 -0.007 0.000 2.315 300 G HA2 0.485 4.445 3.960 -0.001 0.000 0.296 300 G HA3 0.485 4.445 3.960 -0.001 0.000 0.296 300 G C 0.257 175.136 174.900 -0.036 0.000 1.289 300 G CA -0.057 45.025 45.100 -0.029 0.000 0.996 300 G HN 1.017 nan 8.290 nan 0.000 0.487 301 G N -1.387 107.384 108.800 -0.049 0.000 3.227 301 G HA2 0.569 4.528 3.960 -0.001 0.000 0.171 301 G HA3 0.569 4.528 3.960 -0.001 0.000 0.171 301 G C 1.402 176.300 174.900 -0.002 0.000 1.463 301 G CA 0.536 45.624 45.100 -0.020 0.000 1.016 301 G HN 1.319 nan 8.290 nan 0.000 0.594 302 L N 1.324 122.556 121.223 0.014 0.000 2.079 302 L HA -0.077 4.263 4.340 -0.001 0.000 0.210 302 L C 2.719 179.569 176.870 -0.034 0.000 1.081 302 L CA 2.623 57.464 54.840 0.002 0.000 0.752 302 L CB -0.578 41.493 42.059 0.019 0.000 0.896 302 L HN 0.659 nan 8.230 nan 0.000 0.433 303 D N -1.477 118.910 120.400 -0.022 0.000 2.158 303 D HA -0.307 4.333 4.640 -0.001 0.000 0.197 303 D C 1.495 177.715 176.300 -0.134 0.000 0.995 303 D CA 1.647 55.610 54.000 -0.062 0.000 0.846 303 D CB -0.499 40.327 40.800 0.042 0.000 0.941 303 D HN 0.420 nan 8.370 nan 0.000 0.456 304 D N -0.322 120.036 120.400 -0.070 0.000 2.347 304 D HA -0.036 4.604 4.640 -0.001 0.000 0.215 304 D C 2.014 178.277 176.300 -0.062 0.000 0.976 304 D CA 0.116 54.080 54.000 -0.060 0.000 0.884 304 D CB 0.366 41.154 40.800 -0.020 0.000 0.915 304 D HN 0.097 nan 8.370 nan 0.000 0.526 305 V N -0.647 119.227 119.914 -0.066 0.000 2.446 305 V HA -0.118 4.001 4.120 -0.001 0.000 0.244 305 V C 2.489 178.526 176.094 -0.096 0.000 1.039 305 V CA 0.699 62.976 62.300 -0.037 0.000 1.045 305 V CB -0.117 31.699 31.823 -0.011 0.000 0.681 305 V HN 0.075 nan 8.190 nan 0.000 0.459 306 V N 0.477 120.262 119.914 -0.216 0.000 2.255 306 V HA -0.307 3.813 4.120 -0.001 0.000 0.247 306 V C 2.606 178.429 176.094 -0.452 0.000 1.051 306 V CA 2.667 64.718 62.300 -0.415 0.000 1.018 306 V CB -0.754 30.640 31.823 -0.715 0.000 0.641 306 V HN 0.516 nan 8.190 nan 0.000 0.445 307 R N -0.137 120.114 120.500 -0.415 0.000 2.073 307 R HA -0.190 4.150 4.340 -0.001 0.000 0.234 307 R C 2.511 178.765 176.300 -0.077 0.000 1.134 307 R CA 1.860 57.861 56.100 -0.164 0.000 0.952 307 R CB -0.184 30.084 30.300 -0.052 0.000 0.850 307 R HN 0.410 nan 8.270 nan 0.000 0.433 308 R N 0.204 120.663 120.500 -0.069 0.000 2.075 308 R HA -0.043 4.297 4.340 -0.001 0.000 0.232 308 R C 2.416 178.743 176.300 0.046 0.000 1.126 308 R CA 1.360 57.432 56.100 -0.046 0.000 0.963 308 R CB -0.369 29.945 30.300 0.023 0.000 0.858 308 R HN 0.228 nan 8.270 nan 0.000 0.435 309 L N 0.018 121.296 121.223 0.091 0.000 1.990 309 L HA -0.264 4.076 4.340 -0.001 0.000 0.213 309 L C 2.290 179.223 176.870 0.105 0.000 1.072 309 L CA 1.389 56.315 54.840 0.144 0.000 0.755 309 L CB -0.568 41.544 42.059 0.088 0.000 0.889 309 L HN 0.074 nan 8.230 nan 0.000 0.432 310 V N -0.455 119.481 119.914 0.037 0.000 2.295 310 V HA -0.298 3.822 4.120 -0.001 0.000 0.246 310 V C 2.601 178.700 176.094 0.010 0.000 1.049 310 V CA 1.928 64.258 62.300 0.050 0.000 1.024 310 V CB -0.713 31.198 31.823 0.147 0.000 0.648 310 V HN 0.453 nan 8.190 nan 0.000 0.447 311 R N -0.901 119.566 120.500 -0.055 0.000 2.139 311 R HA -0.217 4.123 4.340 -0.001 0.000 0.243 311 R C 1.892 178.079 176.300 -0.188 0.000 1.145 311 R CA 1.962 57.957 56.100 -0.174 0.000 0.976 311 R CB -0.197 29.916 30.300 -0.312 0.000 0.866 311 R HN 0.558 nan 8.270 nan 0.000 0.449 312 Y N -1.218 119.084 120.300 0.003 0.000 2.468 312 Y HA 0.279 4.829 4.550 -0.001 0.000 0.268 312 Y C 1.242 177.138 175.900 -0.006 0.000 1.177 312 Y CA 0.452 58.551 58.100 -0.002 0.000 1.265 312 Y CB 1.166 39.626 38.460 -0.000 0.000 1.103 312 Y HN 0.353 nan 8.280 nan 0.000 0.522 313 G N 0.013 108.880 108.800 0.112 0.000 2.143 313 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.175 313 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.175 313 G C -0.478 174.427 174.900 0.008 0.000 1.004 313 G CA -0.411 44.716 45.100 0.045 0.000 0.671 313 G HN 0.144 nan 8.290 nan 0.000 0.512 314 L N 1.584 122.829 121.223 0.037 0.000 2.305 314 L HA 0.605 4.944 4.340 -0.001 0.000 0.281 314 L C 0.869 177.695 176.870 -0.075 0.000 1.085 314 L CA -0.593 54.250 54.840 0.004 0.000 0.813 314 L CB 0.533 42.657 42.059 0.109 0.000 1.157 314 L HN 0.179 nan 8.230 nan 0.000 0.436 315 K N 7.048 127.290 120.400 -0.262 0.000 2.511 315 K HA 0.003 4.323 4.320 -0.001 0.000 0.280 315 K C -1.573 174.985 176.600 -0.070 0.000 1.008 315 K CA -0.686 55.433 56.287 -0.279 0.000 1.050 315 K CB 0.097 32.211 32.500 -0.642 0.000 0.889 315 K HN 0.499 nan 8.250 nan 0.000 0.484 316 P HA -0.190 nan 4.420 nan 0.000 0.219 316 P C 0.277 177.662 177.300 0.140 0.000 1.146 316 P CA 1.431 64.603 63.100 0.121 0.000 0.808 316 P CB 0.316 32.062 31.700 0.077 0.000 0.779 317 E N -0.875 119.393 120.200 0.114 0.000 2.072 317 E HA -0.156 4.194 4.350 -0.001 0.000 0.191 317 E C 1.914 178.723 176.600 0.348 0.000 0.985 317 E CA 1.218 57.740 56.400 0.203 0.000 0.801 317 E CB -0.798 29.020 29.700 0.196 0.000 0.750 317 E HN 0.288 nan 8.360 nan 0.000 0.452 318 W N 0.905 122.225 121.300 0.033 0.000 2.379 318 W HA 0.069 4.729 4.660 -0.001 0.000 0.307 318 W C 2.516 179.037 176.519 0.004 0.000 1.200 318 W CA 0.811 58.167 57.345 0.019 0.000 1.297 318 W CB -1.259 28.209 29.460 0.014 0.000 1.140 318 W HN 0.110 nan 8.180 nan 0.000 0.507 319 A N 0.270 123.238 122.820 0.247 0.000 1.892 319 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 319 A C 2.153 179.761 177.584 0.041 0.000 1.188 319 A CA 2.078 54.167 52.037 0.087 0.000 0.631 319 A CB -1.116 17.873 19.000 -0.018 0.000 0.822 319 A HN 0.266 nan 8.150 nan 0.000 0.447 320 L N -1.425 119.844 121.223 0.078 0.000 2.056 320 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 320 L C 2.824 179.748 176.870 0.090 0.000 1.078 320 L CA 1.695 56.587 54.840 0.088 0.000 0.749 320 L CB -0.514 41.645 42.059 0.167 0.000 0.901 320 L HN 0.470 nan 8.230 nan 0.000 0.433 321 R N 0.471 121.032 120.500 0.102 0.000 2.091 321 R HA -0.195 4.145 4.340 -0.001 0.000 0.238 321 R C 2.308 178.626 176.300 0.029 0.000 1.136 321 R CA 1.499 57.638 56.100 0.065 0.000 0.959 321 R CB -0.228 30.104 30.300 0.053 0.000 0.856 321 R HN 0.347 nan 8.270 nan 0.000 0.437 322 A N 0.529 123.363 122.820 0.023 0.000 1.933 322 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 322 A C 2.177 179.764 177.584 0.006 0.000 1.175 322 A CA 1.667 53.703 52.037 -0.002 0.000 0.628 322 A CB -0.545 18.453 19.000 -0.003 0.000 0.814 322 A HN 0.518 nan 8.150 nan 0.000 0.444 323 A N -1.281 121.549 122.820 0.017 0.000 2.238 323 A HA 0.295 4.615 4.320 -0.001 0.000 0.208 323 A C 1.765 179.371 177.584 0.036 0.000 1.177 323 A CA 1.792 53.839 52.037 0.018 0.000 0.804 323 A CB -0.474 18.528 19.000 0.003 0.000 0.823 323 A HN 0.693 nan 8.150 nan 0.000 0.482 324 T N -4.160 110.418 114.554 0.040 0.000 3.212 324 T HA 0.151 4.500 4.350 -0.001 0.000 0.157 324 T C 1.455 176.174 174.700 0.032 0.000 0.908 324 T CA 0.482 62.610 62.100 0.046 0.000 0.954 324 T CB -0.816 68.092 68.868 0.067 0.000 1.709 324 T HN 0.106 nan 8.240 nan 0.000 0.335 325 L N 2.813 124.055 121.223 0.032 0.000 2.013 325 L HA 0.023 4.363 4.340 -0.001 0.000 0.212 325 L C 1.998 178.874 176.870 0.010 0.000 1.073 325 L CA 2.123 56.976 54.840 0.021 0.000 0.753 325 L CB -1.443 40.629 42.059 0.022 0.000 0.890 325 L HN 0.354 nan 8.230 nan 0.000 0.432 326 N N 0.015 118.716 118.700 0.002 0.000 2.188 326 N HA -0.092 4.648 4.740 -0.001 0.000 0.184 326 N C 1.818 177.325 175.510 -0.004 0.000 1.018 326 N CA 1.499 54.543 53.050 -0.011 0.000 0.858 326 N CB -0.530 37.939 38.487 -0.030 0.000 0.989 326 N HN 0.531 nan 8.380 nan 0.000 0.426 327 A N 0.837 123.660 122.820 0.005 0.000 1.898 327 A HA 0.109 4.428 4.320 -0.001 0.000 0.216 327 A C 2.333 179.926 177.584 0.015 0.000 1.181 327 A CA 1.716 53.760 52.037 0.012 0.000 0.620 327 A CB -0.814 18.197 19.000 0.018 0.000 0.819 327 A HN 0.292 nan 8.150 nan 0.000 0.442 328 A N -1.107 121.723 122.820 0.017 0.000 1.902 328 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 328 A C 2.130 179.722 177.584 0.013 0.000 1.181 328 A CA 1.680 53.727 52.037 0.017 0.000 0.623 328 A CB -0.482 18.529 19.000 0.019 0.000 0.818 328 A HN 0.472 nan 8.150 nan 0.000 0.443 329 Q N -0.582 119.223 119.800 0.008 0.000 2.061 329 Q HA -0.218 4.122 4.340 -0.001 0.000 0.204 329 Q C 2.234 178.235 176.000 0.003 0.000 0.984 329 Q CA 1.992 57.797 55.803 0.004 0.000 0.846 329 Q CB -0.474 28.263 28.738 -0.001 0.000 0.902 329 Q HN 0.661 nan 8.270 nan 0.000 0.421 330 R N 0.857 121.359 120.500 0.003 0.000 2.105 330 R HA -0.076 4.263 4.340 -0.001 0.000 0.239 330 R C 1.934 178.240 176.300 0.009 0.000 1.135 330 R CA 1.232 57.334 56.100 0.003 0.000 0.967 330 R CB -0.516 29.787 30.300 0.004 0.000 0.861 330 R HN 0.268 nan 8.270 nan 0.000 0.442 331 L N -0.624 120.607 121.223 0.014 0.000 2.591 331 L HA 0.284 4.624 4.340 -0.001 0.000 0.228 331 L C 1.050 177.930 176.870 0.016 0.000 1.133 331 L CA 0.398 55.249 54.840 0.019 0.000 0.880 331 L CB -0.055 42.019 42.059 0.025 0.000 1.033 331 L HN 0.560 nan 8.230 nan 0.000 0.450 332 G N 0.933 109.741 108.800 0.012 0.000 2.198 332 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.260 332 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.260 332 G C 0.158 175.066 174.900 0.013 0.000 1.025 332 G CA -0.149 44.958 45.100 0.011 0.000 0.769 332 G HN 0.239 nan 8.290 nan 0.000 0.507 333 R N 0.688 121.197 120.500 0.015 0.000 2.332 333 R HA 0.396 4.736 4.340 -0.001 0.000 0.306 333 R C 1.273 177.582 176.300 0.016 0.000 1.117 333 R CA 0.290 56.400 56.100 0.017 0.000 1.108 333 R CB 0.890 31.202 30.300 0.020 0.000 1.126 333 R HN 0.531 nan 8.270 nan 0.000 0.548 334 S N -0.042 115.667 115.700 0.014 0.000 2.650 334 S HA -0.069 4.400 4.470 -0.001 0.000 0.219 334 S C 0.865 175.474 174.600 0.015 0.000 0.960 334 S CA 0.202 58.410 58.200 0.014 0.000 0.925 334 S CB 0.020 63.228 63.200 0.012 0.000 0.775 334 S HN 0.475 nan 8.310 nan 0.000 0.525 335 D N 1.051 121.461 120.400 0.016 0.000 2.348 335 D HA 0.100 4.739 4.640 -0.001 0.000 0.211 335 D C 0.698 177.008 176.300 0.016 0.000 0.998 335 D CA 0.022 54.031 54.000 0.016 0.000 0.873 335 D CB -0.047 40.762 40.800 0.016 0.000 0.925 335 D HN 0.424 nan 8.370 nan 0.000 0.524 336 L N -1.185 120.049 121.223 0.018 0.000 2.304 336 L HA 0.524 4.864 4.340 -0.001 0.000 0.268 336 L C 1.492 178.375 176.870 0.021 0.000 1.010 336 L CA -0.519 54.333 54.840 0.020 0.000 0.813 336 L CB 1.636 43.708 42.059 0.022 0.000 1.315 336 L HN 0.129 nan 8.230 nan 0.000 0.445 337 G N 0.911 109.726 108.800 0.025 0.000 2.168 337 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.263 337 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.263 337 G C -0.710 174.210 174.900 0.033 0.000 0.977 337 G CA 0.582 45.700 45.100 0.030 0.000 0.659 337 G HN 0.425 nan 8.290 nan 0.000 0.533 338 L N 0.224 121.463 121.223 0.027 0.000 2.526 338 L HA 0.642 4.982 4.340 -0.001 0.000 0.263 338 L C -0.722 176.159 176.870 0.018 0.000 0.943 338 L CA -1.203 53.653 54.840 0.027 0.000 0.859 338 L CB 1.381 43.455 42.059 0.024 0.000 1.313 338 L HN 0.005 nan 8.230 nan 0.000 0.406 339 I N 4.850 125.430 120.570 0.017 0.000 2.278 339 I HA 0.633 4.803 4.170 -0.001 0.000 0.296 339 I C 0.293 176.407 176.117 -0.004 0.000 1.121 339 I CA -0.014 61.285 61.300 -0.002 0.000 1.267 339 I CB -0.190 37.806 38.000 -0.007 0.000 1.447 339 I HN 0.759 nan 8.210 nan 0.000 0.509 340 A N 5.002 127.820 122.820 -0.003 0.000 2.574 340 A HA 0.817 5.137 4.320 -0.001 0.000 0.297 340 A C -0.295 177.292 177.584 0.005 0.000 1.062 340 A CA -0.674 51.364 52.037 0.002 0.000 0.686 340 A CB 1.385 20.392 19.000 0.012 0.000 1.285 340 A HN 0.667 nan 8.150 nan 0.000 0.403 341 A N 0.143 122.971 122.820 0.014 0.000 2.511 341 A HA 0.523 4.843 4.320 -0.001 0.000 0.242 341 A C 1.531 179.132 177.584 0.028 0.000 1.069 341 A CA 1.117 53.171 52.037 0.028 0.000 0.763 341 A CB -0.483 18.545 19.000 0.047 0.000 1.001 341 A HN 2.848 nan 8.150 nan 0.000 0.498 342 G N 1.914 110.733 108.800 0.031 0.000 2.232 342 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.226 342 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.226 342 G C 0.477 175.390 174.900 0.022 0.000 0.996 342 G CA 0.272 45.388 45.100 0.028 0.000 0.626 342 G HN 0.859 nan 8.290 nan 0.000 0.509 343 R N 0.180 120.691 120.500 0.018 0.000 2.607 343 R HA 0.577 4.916 4.340 -0.001 0.000 0.261 343 R C 0.583 176.890 176.300 0.012 0.000 1.051 343 R CA -0.845 55.264 56.100 0.015 0.000 1.110 343 R CB 0.925 31.232 30.300 0.012 0.000 1.158 343 R HN 0.257 nan 8.270 nan 0.000 0.543 344 R N 0.398 120.905 120.500 0.012 0.000 2.543 344 R HA 0.112 4.452 4.340 -0.001 0.000 0.277 344 R C -0.407 175.895 176.300 0.003 0.000 1.074 344 R CA 0.107 56.212 56.100 0.010 0.000 1.076 344 R CB 0.724 31.031 30.300 0.011 0.000 0.993 344 R HN 0.724 nan 8.270 nan 0.000 0.459 345 A N 4.767 127.586 122.820 -0.001 0.000 3.091 345 A HA 0.119 4.438 4.320 -0.001 0.000 0.264 345 A C -1.007 176.569 177.584 -0.013 0.000 1.673 345 A CA -0.398 51.631 52.037 -0.013 0.000 1.362 345 A CB -0.238 18.750 19.000 -0.019 0.000 1.137 345 A HN 0.669 nan 8.150 nan 0.000 0.617 346 D N 1.274 121.670 120.400 -0.008 0.000 2.347 346 D HA 0.563 5.203 4.640 -0.001 0.000 0.235 346 D C -0.209 176.081 176.300 -0.018 0.000 1.149 346 D CA 0.606 54.601 54.000 -0.008 0.000 0.850 346 D CB 0.767 41.569 40.800 0.004 0.000 1.061 346 D HN 0.422 nan 8.370 nan 0.000 0.487 347 I N 1.323 121.871 120.570 -0.036 0.000 2.752 347 I HA 0.324 4.494 4.170 -0.001 0.000 0.295 347 I C -0.984 175.072 176.117 -0.103 0.000 1.219 347 I CA -1.176 60.089 61.300 -0.058 0.000 1.030 347 I CB 2.649 40.614 38.000 -0.059 0.000 1.259 347 I HN -0.015 nan 8.210 nan 0.000 0.423 348 V N 6.589 126.393 119.914 -0.183 0.000 2.656 348 V HA 0.561 4.681 4.120 -0.001 0.000 0.307 348 V C -0.996 174.856 176.094 -0.403 0.000 1.051 348 V CA -0.425 61.665 62.300 -0.350 0.000 0.893 348 V CB 2.377 33.863 31.823 -0.562 0.000 0.999 348 V HN 0.422 nan 8.190 nan 0.000 0.426 349 V N 7.544 127.293 119.914 -0.275 0.000 2.350 349 V HA 0.484 4.604 4.120 -0.001 0.000 0.276 349 V C -0.561 175.449 176.094 -0.139 0.000 1.028 349 V CA -0.305 61.919 62.300 -0.128 0.000 0.860 349 V CB 1.020 32.885 31.823 0.068 0.000 0.990 349 V HN 0.696 nan 8.190 nan 0.000 0.453 350 F N 3.005 123.035 119.950 0.134 0.000 2.420 350 F HA 0.460 4.987 4.527 -0.001 0.000 0.342 350 F C 1.525 177.388 175.800 0.104 0.000 1.113 350 F CA -0.825 57.239 58.000 0.106 0.000 1.059 350 F CB 1.342 40.403 39.000 0.101 0.000 1.128 350 F HN 0.473 nan 8.300 nan 0.000 0.475 351 E N 1.328 121.674 120.200 0.243 0.000 2.070 351 E HA -0.181 4.169 4.350 -0.001 0.000 0.197 351 E C 0.121 176.835 176.600 0.191 0.000 1.004 351 E CA 1.754 58.244 56.400 0.150 0.000 0.805 351 E CB -0.266 29.478 29.700 0.072 0.000 0.744 351 E HN 0.812 nan 8.360 nan 0.000 0.451 352 D N -2.858 117.573 120.400 0.052 0.000 2.692 352 D HA 0.164 4.804 4.640 -0.001 0.000 0.303 352 D C -0.216 175.696 176.300 -0.646 0.000 1.278 352 D CA -0.659 53.261 54.000 -0.134 0.000 0.852 352 D CB 0.197 40.927 40.800 -0.117 0.000 1.375 352 D HN -0.100 nan 8.370 nan 0.000 0.453 353 L N 0.127 120.804 121.223 -0.909 0.000 2.848 353 L HA 0.400 4.740 4.340 -0.001 0.000 0.240 353 L C 0.692 176.912 176.870 -1.084 0.000 1.232 353 L CA 0.093 54.152 54.840 -1.302 0.000 1.031 353 L CB -0.622 40.903 42.059 -0.890 0.000 1.338 353 L HN 0.393 nan 8.230 nan 0.000 0.509 354 N N -0.333 117.894 118.700 -0.788 0.000 2.594 354 N HA 0.042 4.782 4.740 -0.001 0.000 0.237 354 N C 1.836 177.223 175.510 -0.205 0.000 1.057 354 N CA 0.778 53.611 53.050 -0.361 0.000 0.883 354 N CB 0.301 38.664 38.487 -0.206 0.000 1.538 354 N HN 0.089 nan 8.380 nan 0.000 0.451 355 G N -0.783 107.872 108.800 -0.241 0.000 2.494 355 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.216 355 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.216 355 G C -0.122 174.787 174.900 0.015 0.000 1.140 355 G CA 0.006 45.061 45.100 -0.074 0.000 0.801 355 G HN 0.342 nan 8.290 nan 0.000 0.536 356 F N 0.899 120.722 119.950 -0.211 0.000 3.079 356 F HA -0.188 4.339 4.527 -0.001 0.000 0.274 356 F C 1.292 177.115 175.800 0.039 0.000 0.940 356 F CA 0.509 58.275 58.000 -0.390 0.000 0.932 356 F CB -2.065 36.494 39.000 -0.735 0.000 0.891 356 F HN 0.177 nan 8.300 nan 0.000 0.722 357 S N 0.961 116.777 115.700 0.193 0.000 2.488 357 S HA 0.669 5.139 4.470 -0.001 0.000 0.278 357 S C 0.358 175.135 174.600 0.295 0.000 1.259 357 S CA -0.130 58.191 58.200 0.202 0.000 1.061 357 S CB 0.771 64.024 63.200 0.088 0.000 0.910 357 S HN 0.631 nan 8.310 nan 0.000 0.491 358 A N 5.508 128.476 122.820 0.246 0.000 2.310 358 A HA 0.356 4.675 4.320 -0.001 0.000 0.300 358 A C 1.219 178.795 177.584 -0.013 0.000 1.269 358 A CA -0.604 51.507 52.037 0.124 0.000 0.909 358 A CB 0.135 19.176 19.000 0.069 0.000 1.144 358 A HN 1.058 nan 8.150 nan 0.000 0.540 359 R N 1.532 121.988 120.500 -0.073 0.000 2.093 359 R HA 0.001 4.341 4.340 -0.001 0.000 0.224 359 R C -0.299 175.710 176.300 -0.485 0.000 1.101 359 R CA 1.067 57.009 56.100 -0.264 0.000 0.979 359 R CB 0.045 30.194 30.300 -0.251 0.000 0.877 359 R HN 0.853 nan 8.270 nan 0.000 0.441 360 H N -1.244 117.793 119.070 -0.055 0.000 2.996 360 H HA 0.370 4.926 4.556 -0.001 0.000 0.368 360 H C -1.479 173.789 175.328 -0.099 0.000 1.185 360 H CA -0.705 55.305 56.048 -0.064 0.000 1.160 360 H CB 2.349 32.075 29.762 -0.061 0.000 1.820 360 H HN -0.141 nan 8.280 nan 0.000 0.547 361 V N 3.607 123.554 119.914 0.056 0.000 2.668 361 V HA 0.255 4.375 4.120 -0.001 0.000 0.304 361 V C -0.797 175.296 176.094 -0.000 0.000 1.071 361 V CA -0.635 61.658 62.300 -0.012 0.000 0.894 361 V CB 2.161 33.968 31.823 -0.026 0.000 1.008 361 V HN 0.361 nan 8.190 nan 0.000 0.425 362 L N 3.779 124.989 121.223 -0.020 0.000 2.334 362 L HA 0.924 5.264 4.340 -0.001 0.000 0.276 362 L C 0.245 177.106 176.870 -0.015 0.000 1.014 362 L CA -0.274 54.556 54.840 -0.018 0.000 0.815 362 L CB 1.971 44.011 42.059 -0.030 0.000 1.268 362 L HN 0.805 nan 8.230 nan 0.000 0.428 363 A N 1.250 124.066 122.820 -0.007 0.000 2.330 363 A HA 0.626 4.946 4.320 -0.001 0.000 0.313 363 A C 0.325 177.909 177.584 -0.000 0.000 1.124 363 A CA -0.429 51.606 52.037 -0.002 0.000 0.774 363 A CB 0.796 19.797 19.000 0.002 0.000 1.198 363 A HN 0.748 nan 8.150 nan 0.000 0.465 364 S N 1.252 116.953 115.700 0.002 0.000 3.491 364 S HA -0.138 4.331 4.470 -0.001 0.000 0.371 364 S C 1.412 176.014 174.600 0.003 0.000 0.980 364 S CA 1.870 60.073 58.200 0.004 0.000 1.204 364 S CB -1.544 61.660 63.200 0.007 0.000 0.915 364 S HN 2.772 nan 8.310 nan 0.000 0.482 365 G N -0.061 108.737 108.800 -0.003 0.000 2.176 365 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.253 365 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.253 365 G C -0.095 174.802 174.900 -0.005 0.000 0.979 365 G CA 0.497 45.595 45.100 -0.004 0.000 0.641 365 G HN 0.830 nan 8.290 nan 0.000 0.530 366 R N 0.496 120.994 120.500 -0.004 0.000 2.445 366 R HA 0.693 5.033 4.340 -0.001 0.000 0.308 366 R C 0.431 176.729 176.300 -0.004 0.000 0.961 366 R CA -0.040 56.058 56.100 -0.002 0.000 0.862 366 R CB 1.042 31.343 30.300 0.002 0.000 1.144 366 R HN 0.569 nan 8.270 nan 0.000 0.447 367 A N 3.782 126.601 122.820 -0.003 0.000 2.444 367 A HA 0.210 4.530 4.320 -0.001 0.000 0.273 367 A C 0.938 178.531 177.584 0.015 0.000 1.136 367 A CA -0.355 51.686 52.037 0.007 0.000 0.799 367 A CB 0.269 19.276 19.000 0.011 0.000 1.081 367 A HN 0.729 nan 8.150 nan 0.000 0.509 368 V N -0.307 119.616 119.914 0.015 0.000 3.570 368 V HA 0.629 4.749 4.120 -0.001 0.000 0.257 368 V C 0.705 176.806 176.094 0.012 0.000 1.272 368 V CA 0.748 63.055 62.300 0.011 0.000 1.079 368 V CB -0.883 30.943 31.823 0.005 0.000 0.829 368 V HN 1.330 nan 8.190 nan 0.000 0.454 369 A N 0.230 123.061 122.820 0.019 0.000 2.498 369 A HA 0.851 5.170 4.320 -0.001 0.000 0.298 369 A C -0.943 176.656 177.584 0.026 0.000 1.075 369 A CA -0.478 51.567 52.037 0.012 0.000 0.714 369 A CB 2.091 21.090 19.000 -0.003 0.000 1.299 369 A HN 0.445 nan 8.150 nan 0.000 0.407 370 E N 0.297 120.497 120.200 0.000 0.000 2.290 370 E HA 0.484 4.833 4.350 -0.001 0.000 0.274 370 E C 0.445 176.999 176.600 -0.076 0.000 0.889 370 E CA -0.094 56.277 56.400 -0.049 0.000 0.760 370 E CB 1.459 31.163 29.700 0.005 0.000 1.206 370 E HN 2.139 nan 8.360 nan 0.000 0.419 371 G N 2.629 111.352 108.800 -0.127 0.000 2.233 371 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.270 371 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.270 371 G C 0.906 175.782 174.900 -0.040 0.000 1.011 371 G CA 0.728 45.778 45.100 -0.084 0.000 0.762 371 G HN 1.669 nan 8.290 nan 0.000 0.511 372 G N -2.138 106.643 108.800 -0.031 0.000 2.175 372 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.244 372 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.244 372 G C 0.528 175.420 174.900 -0.015 0.000 0.982 372 G CA 1.003 46.095 45.100 -0.014 0.000 0.641 372 G HN 0.995 nan 8.290 nan 0.000 0.527 376 V N -4.400 115.518 119.914 0.007 0.000 3.074 376 V HA 0.667 4.787 4.120 -0.001 0.000 0.314 376 V C -0.690 175.407 176.094 0.005 0.000 1.117 376 V CA -0.825 61.479 62.300 0.006 0.000 1.014 376 V CB 2.393 34.219 31.823 0.005 0.000 1.057 376 V HN -0.077 nan 8.190 nan 0.000 0.438 377 D N 1.471 121.874 120.400 0.005 0.000 2.345 377 D HA 0.479 5.119 4.640 -0.001 0.000 0.247 377 D C -0.421 175.882 176.300 0.005 0.000 1.108 377 D CA 0.364 54.367 54.000 0.005 0.000 0.894 377 D CB 1.843 42.646 40.800 0.005 0.000 1.203 377 D HN 0.555 nan 8.370 nan 0.000 0.430 378 I N 3.507 124.081 120.570 0.006 0.000 2.330 378 I HA 0.172 4.342 4.170 -0.001 0.000 0.289 378 I C -2.047 174.074 176.117 0.008 0.000 1.001 378 I CA -1.881 59.423 61.300 0.007 0.000 1.193 378 I CB 1.423 39.429 38.000 0.009 0.000 1.345 378 I HN -0.007 nan 8.210 nan 0.000 0.461 379 P HA 0.083 nan 4.420 nan 0.000 0.267 379 P C -0.070 177.232 177.300 0.002 0.000 1.205 379 P CA -0.127 62.972 63.100 -0.002 0.000 0.765 379 P CB 0.394 32.086 31.700 -0.014 0.000 0.828 380 T N -0.039 114.524 114.554 0.015 0.000 2.862 380 T HA 0.482 4.831 4.350 -0.001 0.000 0.276 380 T C -0.303 174.411 174.700 0.022 0.000 0.974 380 T CA -0.692 61.429 62.100 0.036 0.000 0.966 380 T CB 1.036 69.940 68.868 0.061 0.000 1.072 380 T HN 0.524 nan 8.240 nan 0.000 0.538 381 C N 1.781 121.119 119.300 0.062 0.000 2.535 381 C HA 0.525 4.985 4.460 -0.001 0.000 0.319 381 C C -0.365 174.760 174.990 0.225 0.000 1.171 381 C CA -0.754 58.287 59.018 0.038 0.000 1.394 381 C CB 0.571 28.185 27.740 -0.210 0.000 1.990 381 C HN 1.064 nan 8.230 nan 0.000 0.466 382 D N 2.861 123.375 120.400 0.190 0.000 2.487 382 D HA 0.075 4.715 4.640 -0.001 0.000 0.243 382 D C 1.301 177.813 176.300 0.354 0.000 1.154 382 D CA 0.814 54.939 54.000 0.207 0.000 0.876 382 D CB 1.153 42.029 40.800 0.127 0.000 1.161 382 D HN 0.784 nan 8.370 nan 0.000 0.478 383 T N -0.542 114.114 114.554 0.171 0.000 3.054 383 T HA 0.033 4.382 4.350 -0.001 0.000 0.255 383 T C 1.687 176.295 174.700 -0.153 0.000 1.035 383 T CA 0.100 62.182 62.100 -0.029 0.000 0.941 383 T CB -0.106 68.741 68.868 -0.034 0.000 1.026 383 T HN 0.295 nan 8.240 nan 0.000 0.533 384 T N 3.284 117.809 114.554 -0.049 0.000 2.649 384 T HA -0.177 4.173 4.350 -0.001 0.000 0.268 384 T C 2.060 176.689 174.700 -0.119 0.000 1.036 384 T CA 2.174 64.239 62.100 -0.057 0.000 1.157 384 T CB -0.757 68.105 68.868 -0.011 0.000 0.861 384 T HN 0.546 nan 8.240 nan 0.000 0.445 385 V N 0.340 120.153 119.914 -0.169 0.000 3.026 385 V HA 0.004 4.123 4.120 -0.001 0.000 0.265 385 V C 2.070 177.927 176.094 -0.394 0.000 1.121 385 V CA 1.284 63.443 62.300 -0.234 0.000 1.142 385 V CB -1.221 30.451 31.823 -0.251 0.000 0.730 385 V HN 0.458 nan 8.190 nan 0.000 0.503 386 L N -1.074 119.874 121.223 -0.458 0.000 2.509 386 L HA 0.206 4.546 4.340 -0.001 0.000 0.222 386 L C 1.256 178.073 176.870 -0.088 0.000 1.123 386 L CA 0.508 55.116 54.840 -0.387 0.000 0.856 386 L CB -0.266 41.478 42.059 -0.525 0.000 0.985 386 L HN 0.227 nan 8.230 nan 0.000 0.456 387 K N 0.212 120.560 120.400 -0.086 0.000 2.098 387 K HA 0.446 4.765 4.320 -0.001 0.000 0.257 387 K C 0.815 177.420 176.600 0.009 0.000 0.999 387 K CA 0.235 56.507 56.287 -0.025 0.000 0.924 387 K CB 1.007 33.488 32.500 -0.031 0.000 1.028 387 K HN 0.060 nan 8.250 nan 0.000 0.466 388 G N 1.198 110.007 108.800 0.015 0.000 2.225 388 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.264 388 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.264 388 G C 0.046 174.967 174.900 0.036 0.000 1.060 388 G CA 0.542 45.653 45.100 0.020 0.000 0.833 388 G HN 0.621 nan 8.290 nan 0.000 0.498 392 L N -2.305 118.896 121.223 -0.036 0.000 2.582 392 L HA 0.820 5.159 4.340 -0.001 0.000 0.257 392 L C -2.883 173.970 176.870 -0.028 0.000 0.974 392 L CA -1.864 52.956 54.840 -0.033 0.000 0.851 392 L CB 1.339 43.363 42.059 -0.057 0.000 1.424 392 L HN -0.098 nan 8.230 nan 0.000 0.412 393 P HA 0.441 nan 4.420 nan 0.000 0.278 393 P C -0.539 176.746 177.300 -0.024 0.000 1.258 393 P CA -0.631 62.457 63.100 -0.019 0.000 0.811 393 P CB 0.812 32.503 31.700 -0.016 0.000 1.063 394 L N 1.080 122.296 121.223 -0.013 0.000 2.499 394 L HA 0.053 4.393 4.340 -0.001 0.000 0.281 394 L C 1.338 178.203 176.870 -0.008 0.000 1.234 394 L CA -0.120 54.718 54.840 -0.004 0.000 0.839 394 L CB -0.058 42.005 42.059 0.006 0.000 1.104 394 L HN 0.344 nan 8.230 nan 0.000 0.500 398 N N 0.954 119.592 118.700 -0.104 0.000 2.381 398 N HA -0.098 4.642 4.740 -0.001 0.000 0.182 398 N C 0.708 176.059 175.510 -0.264 0.000 1.025 398 N CA 0.926 53.797 53.050 -0.298 0.000 0.888 398 N CB -0.050 38.281 38.487 -0.260 0.000 0.965 398 N HN 0.429 nan 8.380 nan 0.000 0.438 399 D N 0.506 120.753 120.400 -0.254 0.000 2.190 399 D HA -0.144 4.495 4.640 -0.001 0.000 0.200 399 D C 0.927 176.870 176.300 -0.595 0.000 0.992 399 D CA 1.088 54.819 54.000 -0.448 0.000 0.854 399 D CB -0.122 40.296 40.800 -0.638 0.000 0.936 399 D HN 0.334 nan 8.370 nan 0.000 0.462 400 F N 0.083 119.934 119.950 -0.164 0.000 2.797 400 F HA 0.200 4.727 4.527 -0.001 0.000 0.302 400 F C 1.008 176.695 175.800 -0.189 0.000 1.130 400 F CA 0.114 58.007 58.000 -0.179 0.000 1.387 400 F CB 0.041 38.938 39.000 -0.170 0.000 1.107 400 F HN -0.217 nan 8.300 nan 0.000 0.577 401 L N -0.135 121.009 121.223 -0.132 0.000 2.334 401 L HA 0.524 4.864 4.340 -0.001 0.000 0.273 401 L C -0.547 176.341 176.870 0.030 0.000 1.013 401 L CA -1.163 53.605 54.840 -0.119 0.000 0.816 401 L CB 2.168 43.981 42.059 -0.409 0.000 1.278 401 L HN -0.415 nan 8.230 nan 0.000 0.431 402 V N 2.520 122.559 119.914 0.208 0.000 2.364 402 V HA 0.240 4.359 4.120 -0.001 0.000 0.272 402 V C 0.357 176.681 176.094 0.383 0.000 1.036 402 V CA -1.002 61.460 62.300 0.271 0.000 0.880 402 V CB 0.870 32.868 31.823 0.292 0.000 0.991 402 V HN 0.553 nan 8.190 nan 0.000 0.460 403 K N 2.712 123.328 120.400 0.361 0.000 2.448 403 K HA 0.346 4.666 4.320 -0.001 0.000 0.278 403 K C 0.089 176.729 176.600 0.066 0.000 1.009 403 K CA 0.373 56.751 56.287 0.152 0.000 0.995 403 K CB 1.070 33.604 32.500 0.057 0.000 0.917 403 K HN 0.746 nan 8.250 nan 0.000 0.481 404 S N 1.228 116.924 115.700 -0.007 0.000 2.547 404 S HA 0.174 4.644 4.470 -0.001 0.000 0.270 404 S C 0.140 174.713 174.600 -0.045 0.000 1.150 404 S CA -0.603 57.593 58.200 -0.007 0.000 0.850 404 S CB 1.332 64.542 63.200 0.018 0.000 1.118 404 S HN 0.467 nan 8.310 nan 0.000 0.461 405 Q N 1.617 121.395 119.800 -0.036 0.000 1.937 405 Q HA 0.191 4.531 4.340 -0.001 0.000 0.198 405 Q C 1.671 177.649 176.000 -0.037 0.000 0.977 405 Q CA 1.795 57.572 55.803 -0.043 0.000 0.836 405 Q CB -1.297 27.421 28.738 -0.034 0.000 0.899 405 Q HN 0.868 nan 8.270 nan 0.000 0.437 406 G N -0.247 108.538 108.800 -0.025 0.000 2.199 406 G HA2 0.120 4.079 3.960 -0.001 0.000 0.364 406 G HA3 0.120 4.079 3.960 -0.001 0.000 0.364 406 G C 0.583 175.472 174.900 -0.017 0.000 1.465 406 G CA 1.193 46.281 45.100 -0.020 0.000 1.049 406 G HN 0.483 nan 8.290 nan 0.000 0.522 407 A N -2.624 120.188 122.820 -0.013 0.000 2.530 407 A HA 0.492 4.811 4.320 -0.001 0.000 0.214 407 A C 0.673 178.253 177.584 -0.007 0.000 1.352 407 A CA 0.242 52.274 52.037 -0.008 0.000 1.035 407 A CB 0.685 19.681 19.000 -0.007 0.000 1.296 407 A HN 0.337 nan 8.150 nan 0.000 0.563 408 K N 0.545 120.938 120.400 -0.011 0.000 2.513 408 K HA 0.546 4.866 4.320 -0.001 0.000 0.251 408 K C -1.431 175.157 176.600 -0.021 0.000 0.939 408 K CA -0.382 55.896 56.287 -0.016 0.000 0.793 408 K CB 2.853 35.345 32.500 -0.013 0.000 1.241 408 K HN 0.291 nan 8.250 nan 0.000 0.431 409 V N -0.238 119.658 119.914 -0.031 0.000 2.914 409 V HA 0.614 4.733 4.120 -0.001 0.000 0.314 409 V C -0.498 175.570 176.094 -0.044 0.000 1.084 409 V CA -1.253 61.026 62.300 -0.035 0.000 0.963 409 V CB 1.861 33.662 31.823 -0.038 0.000 1.025 409 V HN 0.672 nan 8.190 nan 0.000 0.432 410 R N 2.023 122.503 120.500 -0.033 0.000 2.298 410 R HA 0.592 4.932 4.340 -0.001 0.000 0.310 410 R C -1.283 174.995 176.300 -0.037 0.000 1.068 410 R CA -0.534 55.547 56.100 -0.031 0.000 0.957 410 R CB 1.135 31.425 30.300 -0.017 0.000 1.003 410 R HN 0.578 nan 8.270 nan 0.000 0.454 411 L N 2.693 123.884 121.223 -0.053 0.000 2.333 411 L HA 0.428 4.767 4.340 -0.001 0.000 0.280 411 L C -0.284 176.597 176.870 0.018 0.000 1.004 411 L CA -0.376 54.424 54.840 -0.066 0.000 0.820 411 L CB 1.656 43.584 42.059 -0.219 0.000 1.247 411 L HN 0.728 nan 8.230 nan 0.000 0.416 412 A N 2.622 125.497 122.820 0.092 0.000 2.388 412 A HA 0.639 4.959 4.320 -0.001 0.000 0.257 412 A C 0.158 177.864 177.584 0.204 0.000 1.095 412 A CA 0.146 52.302 52.037 0.197 0.000 0.791 412 A CB 0.012 19.198 19.000 0.311 0.000 1.029 412 A HN 0.767 nan 8.150 nan 0.000 0.489 413 T N -0.714 113.963 114.554 0.205 0.000 2.916 413 T HA 0.682 5.032 4.350 -0.001 0.000 0.292 413 T C -0.512 174.233 174.700 0.076 0.000 1.055 413 T CA -0.531 61.663 62.100 0.158 0.000 1.009 413 T CB 0.964 69.915 68.868 0.138 0.000 1.118 413 T HN 0.390 nan 8.240 nan 0.000 0.497 414 I N 2.201 122.775 120.570 0.007 0.000 2.306 414 I HA 0.308 4.478 4.170 -0.001 0.000 0.288 414 I C -0.056 176.076 176.117 0.025 0.000 1.036 414 I CA -0.538 60.698 61.300 -0.106 0.000 1.221 414 I CB 0.884 38.779 38.000 -0.174 0.000 1.385 414 I HN 0.642 nan 8.210 nan 0.000 0.472 415 D N 7.756 128.170 120.400 0.024 0.000 2.232 415 D HA 0.403 5.043 4.640 -0.001 0.000 0.242 415 D C -0.378 176.015 176.300 0.155 0.000 1.093 415 D CA -0.178 53.892 54.000 0.117 0.000 0.845 415 D CB 1.020 41.876 40.800 0.093 0.000 1.124 415 D HN 0.448 nan 8.370 nan 0.000 0.467 416 R N 1.460 122.102 120.500 0.236 0.000 1.002 416 R HA -0.078 4.261 4.340 -0.001 0.000 0.430 416 R C -2.636 173.785 176.300 0.202 0.000 1.355 416 R CA -0.477 55.733 56.100 0.183 0.000 1.047 416 R CB -0.901 29.480 30.300 0.134 0.000 3.187 416 R HN 0.364 nan 8.270 nan 0.000 0.514 417 P HA 0.016 nan 4.420 nan 0.000 0.276 417 P C 0.173 177.397 177.300 -0.126 0.000 1.230 417 P CA 0.046 62.974 63.100 -0.286 0.000 0.776 417 P CB 1.432 32.486 31.700 -1.077 0.000 0.888 418 R N 1.515 122.016 120.500 0.001 0.000 1.373 418 R HA -0.237 4.102 4.340 -0.001 0.000 0.053 418 R C -0.750 175.370 176.300 -0.300 0.000 0.951 418 R CA 1.527 57.510 56.100 -0.195 0.000 1.972 418 R CB -2.379 27.661 30.300 -0.434 0.000 0.285 418 R HN 0.315 nan 8.270 nan 0.000 0.723 419 F N 3.111 122.983 119.950 -0.130 0.000 2.359 419 F HA 0.445 4.971 4.527 -0.001 0.000 0.355 419 F C 0.098 175.867 175.800 -0.051 0.000 1.132 419 F CA 0.032 57.968 58.000 -0.107 0.000 1.246 419 F CB 1.421 40.306 39.000 -0.192 0.000 1.569 419 F HN 0.091 nan 8.300 nan 0.000 0.561 420 T N 3.250 117.872 114.554 0.114 0.000 2.897 420 T HA 0.446 4.796 4.350 -0.001 0.000 0.294 420 T C -0.237 174.423 174.700 -0.066 0.000 1.004 420 T CA -0.355 61.732 62.100 -0.023 0.000 1.106 420 T CB 0.694 69.422 68.868 -0.234 0.000 0.949 420 T HN 0.630 nan 8.240 nan 0.000 0.520 421 Q N 1.900 121.650 119.800 -0.082 0.000 2.462 421 Q HA 0.358 4.697 4.340 -0.001 0.000 0.285 421 Q C -1.547 174.403 176.000 -0.083 0.000 1.035 421 Q CA -1.149 54.616 55.803 -0.063 0.000 0.799 421 Q CB 1.082 29.851 28.738 0.052 0.000 1.452 421 Q HN 0.581 nan 8.270 nan 0.000 0.404 422 W N 0.817 122.130 121.300 0.022 0.000 2.210 422 W HA 0.520 5.180 4.660 -0.001 0.000 0.330 422 W C 0.742 177.281 176.519 0.034 0.000 1.334 422 W CA 0.901 58.260 57.345 0.023 0.000 1.227 422 W CB 1.054 30.524 29.460 0.016 0.000 1.178 422 W HN 0.825 nan 8.180 nan 0.000 0.560 423 G N 1.239 110.210 108.800 0.285 0.000 3.015 423 G HA2 0.677 4.637 3.960 -0.001 0.000 0.281 423 G HA3 0.677 4.637 3.960 -0.001 0.000 0.281 423 G C -1.794 173.215 174.900 0.182 0.000 1.386 423 G CA -0.709 44.504 45.100 0.187 0.000 0.959 423 G HN 0.394 nan 8.290 nan 0.000 0.522 424 E N -1.560 118.710 120.200 0.118 0.000 2.363 424 E HA 0.565 4.914 4.350 -0.001 0.000 0.281 424 E C -1.527 175.103 176.600 0.051 0.000 0.953 424 E CA -0.557 55.892 56.400 0.082 0.000 0.778 424 E CB 2.556 32.294 29.700 0.063 0.000 1.220 424 E HN 0.586 nan 8.360 nan 0.000 0.431 425 T N 1.434 116.000 114.554 0.020 0.000 2.711 425 T HA 0.358 4.708 4.350 -0.001 0.000 0.302 425 T C -1.658 173.022 174.700 -0.034 0.000 1.373 425 T CA -0.531 61.569 62.100 -0.001 0.000 1.000 425 T CB 1.571 70.440 68.868 0.002 0.000 1.483 425 T HN 0.452 nan 8.240 nan 0.000 0.499 426 E N -0.036 120.142 120.200 -0.037 0.000 2.244 426 E HA 0.730 5.080 4.350 -0.001 0.000 0.266 426 E C -1.169 175.390 176.600 -0.068 0.000 0.914 426 E CA -1.124 55.249 56.400 -0.046 0.000 0.794 426 E CB 2.094 31.779 29.700 -0.023 0.000 1.210 426 E HN 0.765 nan 8.360 nan 0.000 0.414 427 A N 2.319 125.093 122.820 -0.076 0.000 2.566 427 A HA 0.407 4.726 4.320 -0.001 0.000 0.297 427 A C -1.445 176.109 177.584 -0.049 0.000 1.059 427 A CA -0.924 51.063 52.037 -0.083 0.000 0.691 427 A CB 1.288 20.185 19.000 -0.172 0.000 1.282 427 A HN 0.521 nan 8.150 nan 0.000 0.401 428 D N 0.346 120.731 120.400 -0.025 0.000 2.354 428 D HA 0.509 5.149 4.640 -0.001 0.000 0.247 428 D C -0.302 176.002 176.300 0.006 0.000 1.138 428 D CA 0.057 54.054 54.000 -0.006 0.000 0.958 428 D CB 1.634 42.437 40.800 0.006 0.000 1.144 428 D HN 0.230 nan 8.370 nan 0.000 0.458 429 V N 1.102 121.024 119.914 0.014 0.000 2.540 429 V HA 0.392 4.511 4.120 -0.001 0.000 0.302 429 V C -0.007 176.107 176.094 0.033 0.000 1.035 429 V CA -0.738 61.580 62.300 0.029 0.000 0.873 429 V CB 1.968 33.797 31.823 0.011 0.000 0.992 429 V HN 0.340 nan 8.190 nan 0.000 0.428 430 K N 2.665 123.102 120.400 0.062 0.000 2.482 430 K HA 0.407 4.727 4.320 -0.001 0.000 0.251 430 K C -0.954 175.693 176.600 0.079 0.000 0.936 430 K CA -0.450 55.873 56.287 0.060 0.000 0.791 430 K CB 1.503 34.045 32.500 0.069 0.000 1.213 430 K HN 0.747 nan 8.250 nan 0.000 0.428 431 D N 2.473 122.890 120.400 0.028 0.000 2.981 431 D HA -0.158 4.482 4.640 -0.001 0.000 0.223 431 D C 0.566 176.781 176.300 -0.143 0.000 1.151 431 D CA 1.766 55.772 54.000 0.011 0.000 0.827 431 D CB -1.191 39.676 40.800 0.112 0.000 1.101 431 D HN 1.079 nan 8.370 nan 0.000 0.426 432 G N -1.339 107.340 108.800 -0.202 0.000 2.159 432 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.256 432 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.256 432 G C 0.053 174.618 174.900 -0.559 0.000 0.977 432 G CA 0.403 45.259 45.100 -0.406 0.000 0.652 432 G HN 0.389 nan 8.290 nan 0.000 0.531 433 F N -0.748 119.217 119.950 0.025 0.000 2.565 433 F HA 0.654 5.181 4.527 -0.001 0.000 0.313 433 F C 0.479 176.305 175.800 0.042 0.000 1.091 433 F CA -0.947 57.076 58.000 0.039 0.000 0.915 433 F CB 1.883 40.910 39.000 0.046 0.000 1.208 433 F HN 0.258 nan 8.300 nan 0.000 0.453 434 V N 3.586 123.668 119.914 0.280 0.000 2.715 434 V HA 0.493 4.612 4.120 -0.001 0.000 0.299 434 V C -0.772 175.419 176.094 0.161 0.000 1.054 434 V CA -0.292 62.104 62.300 0.160 0.000 1.077 434 V CB 1.218 33.087 31.823 0.075 0.000 0.972 434 V HN 0.503 nan 8.190 nan 0.000 0.484 435 V N 8.789 128.757 119.914 0.089 0.000 2.348 435 V HA 0.348 4.467 4.120 -0.001 0.000 0.270 435 V C -2.007 174.132 176.094 0.075 0.000 1.037 435 V CA -1.651 60.701 62.300 0.086 0.000 0.872 435 V CB 1.059 32.917 31.823 0.059 0.000 1.002 435 V HN 0.925 nan 8.190 nan 0.000 0.464 436 P HA 0.077 nan 4.420 nan 0.000 0.253 436 P C -2.199 175.163 177.300 0.103 0.000 1.170 436 P CA -0.445 62.771 63.100 0.193 0.000 0.806 436 P CB -0.359 31.448 31.700 0.178 0.000 0.775 437 P HA 0.203 nan 4.420 nan 0.000 0.276 437 P C -0.059 177.279 177.300 0.064 0.000 1.261 437 P CA -0.374 62.742 63.100 0.027 0.000 0.800 437 P CB 1.083 32.764 31.700 -0.032 0.000 1.066 438 E N -0.556 119.676 120.200 0.052 0.000 2.392 438 E HA 0.292 4.642 4.350 -0.001 0.000 0.264 438 E C 1.144 177.792 176.600 0.080 0.000 1.024 438 E CA 0.689 57.127 56.400 0.064 0.000 0.903 438 E CB -0.299 29.430 29.700 0.049 0.000 0.963 438 E HN 0.785 nan 8.360 nan 0.000 0.432 439 G N 1.757 110.617 108.800 0.099 0.000 2.212 439 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.266 439 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.266 439 G C 0.285 175.278 174.900 0.156 0.000 0.978 439 G CA 0.159 45.333 45.100 0.123 0.000 0.632 439 G HN 0.778 nan 8.290 nan 0.000 0.537 440 A N 0.288 123.200 122.820 0.153 0.000 2.301 440 A HA 0.798 5.117 4.320 -0.001 0.000 0.298 440 A C 0.538 178.213 177.584 0.150 0.000 1.185 440 A CA 0.942 53.090 52.037 0.185 0.000 0.830 440 A CB 0.862 20.017 19.000 0.258 0.000 1.112 440 A HN 0.607 nan 8.150 nan 0.000 0.508 444 S N 6.086 121.561 115.700 -0.375 0.000 2.502 444 S HA 0.792 5.261 4.470 -0.001 0.000 0.304 444 S C -0.921 173.561 174.600 -0.196 0.000 1.097 444 S CA -0.648 57.430 58.200 -0.203 0.000 1.045 444 S CB 2.137 65.361 63.200 0.040 0.000 1.019 444 S HN 0.400 nan 8.310 nan 0.000 0.481 445 V N 2.810 122.617 119.914 -0.178 0.000 2.540 445 V HA 0.632 4.752 4.120 -0.001 0.000 0.302 445 V C -0.401 175.625 176.094 -0.114 0.000 1.035 445 V CA -0.570 61.643 62.300 -0.145 0.000 0.873 445 V CB 2.037 33.781 31.823 -0.131 0.000 0.992 445 V HN 0.933 nan 8.190 nan 0.000 0.428 446 T N 3.374 117.866 114.554 -0.103 0.000 2.840 446 T HA 0.320 4.670 4.350 -0.001 0.000 0.287 446 T C -0.366 174.291 174.700 -0.072 0.000 0.991 446 T CA -0.360 61.686 62.100 -0.089 0.000 0.964 446 T CB 0.631 69.424 68.868 -0.125 0.000 0.954 446 T HN 0.742 nan 8.240 nan 0.000 0.438 447 H N 3.703 122.724 119.070 -0.081 0.000 3.187 447 H HA 0.005 4.560 4.556 -0.001 0.000 0.286 447 H C 0.946 176.208 175.328 -0.109 0.000 0.944 447 H CA 0.573 56.583 56.048 -0.064 0.000 1.429 447 H CB 0.522 30.272 29.762 -0.019 0.000 1.483 447 H HN 0.612 nan 8.280 nan 0.000 0.555 448 R N 3.668 123.756 120.500 -0.686 0.000 2.508 448 R HA 0.116 4.455 4.340 -0.001 0.000 0.300 448 R C 0.183 176.130 176.300 -0.588 0.000 0.970 448 R CA 0.007 55.793 56.100 -0.523 0.000 1.102 448 R CB -0.109 29.916 30.300 -0.458 0.000 1.246 448 R HN 0.528 nan 8.270 nan 0.000 0.539 449 H N 0.502 119.254 119.070 -0.529 0.000 2.586 449 H HA 0.340 4.896 4.556 -0.001 0.000 0.273 449 H C 0.702 176.065 175.328 0.059 0.000 0.997 449 H CA 0.572 56.500 56.048 -0.200 0.000 1.177 449 H CB 0.601 30.251 29.762 -0.188 0.000 1.471 449 H HN 0.467 nan 8.280 nan 0.000 0.538 453 E N 1.369 121.526 120.200 -0.072 0.000 2.415 453 E HA 0.345 4.695 4.350 -0.001 0.000 0.263 453 E C -1.934 174.675 176.600 0.015 0.000 0.995 453 E CA -1.253 55.137 56.400 -0.017 0.000 0.915 453 E CB 0.510 30.194 29.700 -0.027 0.000 0.951 453 E HN 0.305 nan 8.360 nan 0.000 0.449 454 P HA 0.059 nan 4.420 nan 0.000 0.225 454 P C -0.936 176.345 177.300 -0.032 0.000 1.768 454 P CA -0.191 62.920 63.100 0.019 0.000 0.943 454 P CB -0.166 31.535 31.700 0.001 0.000 1.936 455 T N 0.721 115.256 114.554 -0.031 0.000 2.743 455 T HA 0.213 4.562 4.350 -0.001 0.000 0.293 455 T C 0.483 175.127 174.700 -0.093 0.000 0.945 455 T CA 0.043 62.106 62.100 -0.061 0.000 1.030 455 T CB 0.317 69.160 68.868 -0.041 0.000 0.912 455 T HN 0.076 nan 8.240 nan 0.000 0.483 456 T N 5.877 120.335 114.554 -0.160 0.000 2.799 456 T HA 0.151 4.501 4.350 -0.001 0.000 0.296 456 T C 0.344 174.942 174.700 -0.170 0.000 0.947 456 T CA -0.320 61.646 62.100 -0.223 0.000 1.141 456 T CB 0.197 68.808 68.868 -0.429 0.000 0.891 456 T HN 0.234 nan 8.240 nan 0.000 0.533 457 K N 3.535 123.852 120.400 -0.138 0.000 2.265 457 K HA 0.419 4.738 4.320 -0.001 0.000 0.267 457 K C -0.204 176.314 176.600 -0.136 0.000 0.994 457 K CA -0.484 55.741 56.287 -0.103 0.000 0.860 457 K CB 1.819 34.280 32.500 -0.065 0.000 1.099 457 K HN 0.469 nan 8.250 nan 0.000 0.448 458 T N 1.003 115.477 114.554 -0.133 0.000 2.829 458 T HA 0.628 4.978 4.350 -0.001 0.000 0.280 458 T C 0.055 174.612 174.700 -0.239 0.000 0.999 458 T CA -0.636 61.333 62.100 -0.218 0.000 0.983 458 T CB 1.809 70.537 68.868 -0.232 0.000 0.968 458 T HN 0.703 nan 8.240 nan 0.000 0.446 459 G N 0.927 109.504 108.800 -0.372 0.000 2.818 459 G HA2 0.743 4.702 3.960 -0.001 0.000 0.286 459 G HA3 0.743 4.702 3.960 -0.001 0.000 0.286 459 G C -1.749 172.812 174.900 -0.564 0.000 1.364 459 G CA -0.728 44.206 45.100 -0.278 0.000 0.938 459 G HN 0.569 nan 8.290 nan 0.000 0.490 460 F N 0.396 120.295 119.950 -0.085 0.000 2.500 460 F HA 0.445 4.972 4.527 -0.001 0.000 0.349 460 F C 0.212 175.961 175.800 -0.085 0.000 1.127 460 F CA -0.535 57.419 58.000 -0.076 0.000 0.998 460 F CB 1.769 40.756 39.000 -0.021 0.000 1.237 460 F HN 0.030 nan 8.300 nan 0.000 0.439 461 L N 2.623 123.811 121.223 -0.057 0.000 2.375 461 L HA 0.583 4.922 4.340 -0.001 0.000 0.271 461 L C 0.325 177.261 176.870 0.110 0.000 1.107 461 L CA -0.150 54.637 54.840 -0.089 0.000 0.806 461 L CB 1.403 43.148 42.059 -0.522 0.000 1.146 461 L HN 0.505 nan 8.230 nan 0.000 0.447 462 T N 0.571 115.271 114.554 0.244 0.000 2.876 462 T HA 0.546 4.895 4.350 -0.001 0.000 0.289 462 T C 0.399 175.345 174.700 0.410 0.000 1.014 462 T CA 0.211 62.480 62.100 0.282 0.000 0.986 462 T CB 1.651 70.636 68.868 0.194 0.000 1.021 462 T HN 0.928 nan 8.240 nan 0.000 0.458 463 G N 1.667 110.668 108.800 0.334 0.000 2.149 463 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.235 463 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.235 463 G C 0.104 175.180 174.900 0.293 0.000 1.018 463 G CA -0.054 45.206 45.100 0.267 0.000 0.728 463 G HN 0.727 nan 8.290 nan 0.000 0.508 464 W N 0.790 122.214 121.300 0.206 0.000 2.771 464 W HA 0.526 5.186 4.660 -0.001 0.000 0.412 464 W C 1.377 178.109 176.519 0.355 0.000 0.965 464 W CA 0.413 57.943 57.345 0.309 0.000 2.045 464 W CB 0.269 29.928 29.460 0.331 0.000 1.176 464 W HN 1.166 nan 8.180 nan 0.000 0.634 465 G N 1.647 110.663 108.800 0.359 0.000 2.752 465 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.234 465 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.234 465 G C -0.361 174.714 174.900 0.293 0.000 1.367 465 G CA -0.707 44.522 45.100 0.215 0.000 0.879 465 G HN 0.211 nan 8.290 nan 0.000 0.563 466 R N -0.660 119.923 120.500 0.139 0.000 2.246 466 R HA 0.444 4.783 4.340 -0.001 0.000 0.332 466 R C -0.952 175.415 176.300 0.111 0.000 0.974 466 R CA -0.721 55.475 56.100 0.161 0.000 0.837 466 R CB 0.413 30.753 30.300 0.065 0.000 1.145 466 R HN 0.440 nan 8.270 nan 0.000 0.467 467 W N 3.799 125.090 121.300 -0.014 0.000 2.332 467 W HA 0.203 4.862 4.660 -0.001 0.000 0.306 467 W C 0.359 176.852 176.519 -0.043 0.000 1.149 467 W CA -0.567 56.753 57.345 -0.042 0.000 1.271 467 W CB 0.854 30.317 29.460 0.004 0.000 1.243 467 W HN 0.482 nan 8.180 nan 0.000 0.459 468 N N 3.036 121.763 118.700 0.044 0.000 3.229 468 N HA 0.464 5.204 4.740 -0.001 0.000 0.275 468 N C 0.184 175.721 175.510 0.045 0.000 1.225 468 N CA 0.801 53.868 53.050 0.029 0.000 1.119 468 N CB -0.169 38.294 38.487 -0.039 0.000 1.392 468 N HN 0.610 nan 8.380 nan 0.000 0.520 469 G N 0.287 109.158 108.800 0.118 0.000 2.265 469 G HA2 0.441 4.401 3.960 -0.001 0.000 0.246 469 G HA3 0.441 4.401 3.960 -0.001 0.000 0.246 469 G C -1.672 173.385 174.900 0.261 0.000 1.299 469 G CA -0.309 44.866 45.100 0.126 0.000 1.117 469 G HN 0.787 nan 8.290 nan 0.000 0.485 470 A N -1.327 121.664 122.820 0.285 0.000 2.604 470 A HA 0.848 5.168 4.320 -0.001 0.000 0.295 470 A C -1.768 176.099 177.584 0.471 0.000 1.067 470 A CA -0.099 52.123 52.037 0.308 0.000 0.683 470 A CB 1.756 20.771 19.000 0.025 0.000 1.281 470 A HN 2.175 nan 8.150 nan 0.000 0.407 471 F N 1.326 121.495 119.950 0.365 0.000 2.539 471 F HA 0.734 5.260 4.527 -0.001 0.000 0.318 471 F C -0.007 175.970 175.800 0.296 0.000 1.135 471 F CA -0.382 57.841 58.000 0.371 0.000 0.915 471 F CB 1.762 41.103 39.000 0.567 0.000 1.176 471 F HN 0.934 nan 8.300 nan 0.000 0.440 472 A N 3.917 126.508 122.820 -0.382 0.000 2.330 472 A HA 0.747 5.067 4.320 -0.001 0.000 0.327 472 A C -0.712 176.491 177.584 -0.636 0.000 1.155 472 A CA -0.481 51.337 52.037 -0.365 0.000 0.803 472 A CB 1.351 20.242 19.000 -0.181 0.000 1.208 472 A HN 0.780 nan 8.150 nan 0.000 0.477 473 T N -0.174 114.202 114.554 -0.296 0.000 2.956 473 T HA 0.453 4.803 4.350 -0.001 0.000 0.312 473 T C 0.344 175.058 174.700 0.023 0.000 1.151 473 T CA 0.462 62.502 62.100 -0.100 0.000 1.024 473 T CB 1.760 70.733 68.868 0.175 0.000 1.140 473 T HN 0.796 nan 8.240 nan 0.000 0.473 474 T N 2.795 117.372 114.554 0.038 0.000 3.069 474 T HA 0.307 4.656 4.350 -0.001 0.000 0.252 474 T C 0.162 174.896 174.700 0.057 0.000 1.053 474 T CA 0.132 62.242 62.100 0.018 0.000 0.964 474 T CB -0.045 68.801 68.868 -0.036 0.000 1.005 474 T HN 0.414 nan 8.240 nan 0.000 0.532 475 V N 2.270 122.257 119.914 0.121 0.000 2.385 475 V HA 0.597 4.717 4.120 -0.001 0.000 0.269 475 V C 0.111 176.420 176.094 0.358 0.000 1.043 475 V CA -0.357 62.028 62.300 0.142 0.000 0.906 475 V CB 0.928 32.766 31.823 0.025 0.000 0.995 475 V HN 0.306 nan 8.190 nan 0.000 0.467 476 S N 4.194 120.124 115.700 0.383 0.000 2.417 476 S HA 0.269 4.738 4.470 -0.001 0.000 0.189 476 S C -0.392 174.118 174.600 -0.151 0.000 1.005 476 S CA -0.661 57.651 58.200 0.187 0.000 1.116 476 S CB -0.128 63.156 63.200 0.141 0.000 1.343 476 S HN 0.845 nan 8.310 nan 0.000 0.406 477 H N 2.434 121.490 119.070 -0.024 0.000 3.094 477 H HA 0.039 4.594 4.556 -0.001 0.000 0.320 477 H C 0.015 175.194 175.328 -0.250 0.000 1.000 477 H CA 0.619 56.521 56.048 -0.242 0.000 1.413 477 H CB 0.678 30.423 29.762 -0.027 0.000 1.405 477 H HN 0.554 nan 8.280 nan 0.000 0.586 478 D N 1.356 121.620 120.400 -0.228 0.000 2.431 478 D HA 0.048 4.688 4.640 -0.001 0.000 0.213 478 D C 1.269 177.272 176.300 -0.496 0.000 1.130 478 D CA 0.213 53.980 54.000 -0.388 0.000 0.834 478 D CB 0.501 41.219 40.800 -0.137 0.000 0.985 478 D HN 0.344 nan 8.370 nan 0.000 0.504 479 S N -0.433 115.045 115.700 -0.370 0.000 2.470 479 S HA -0.045 4.424 4.470 -0.001 0.000 0.222 479 S C 0.277 174.876 174.600 -0.002 0.000 1.024 479 S CA 0.021 58.130 58.200 -0.151 0.000 0.931 479 S CB 0.080 63.252 63.200 -0.048 0.000 0.791 479 S HN 0.293 nan 8.310 nan 0.000 0.513 480 H N 0.996 120.079 119.070 0.022 0.000 2.820 480 H HA -0.122 4.434 4.556 -0.001 0.000 0.295 480 H C -0.065 175.269 175.328 0.011 0.000 1.187 480 H CA 0.634 56.688 56.048 0.010 0.000 1.144 480 H CB -2.407 27.350 29.762 -0.009 0.000 1.354 480 H HN 0.462 nan 8.280 nan 0.000 0.395 481 N N -0.075 118.653 118.700 0.046 0.000 2.381 481 N HA 0.244 4.984 4.740 -0.001 0.000 0.254 481 N C 0.463 175.911 175.510 -0.103 0.000 1.264 481 N CA -0.736 52.247 53.050 -0.112 0.000 0.942 481 N CB 0.670 39.108 38.487 -0.082 0.000 1.190 481 N HN 0.113 nan 8.380 nan 0.000 0.495 482 L N 0.979 122.111 121.223 -0.151 0.000 2.500 482 L HA 0.179 4.519 4.340 -0.001 0.000 0.272 482 L C -0.722 176.094 176.870 -0.090 0.000 1.149 482 L CA 0.800 55.577 54.840 -0.104 0.000 0.897 482 L CB -0.303 41.692 42.059 -0.106 0.000 1.178 482 L HN 0.435 nan 8.230 nan 0.000 0.473 483 T N 5.164 119.670 114.554 -0.081 0.000 2.809 483 T HA 0.632 4.981 4.350 -0.001 0.000 0.284 483 T C -0.761 173.823 174.700 -0.193 0.000 0.992 483 T CA -0.435 61.571 62.100 -0.156 0.000 0.957 483 T CB 1.306 70.108 68.868 -0.111 0.000 0.942 483 T HN 0.348 nan 8.240 nan 0.000 0.439 484 V N 4.051 123.792 119.914 -0.288 0.000 2.588 484 V HA 0.603 4.722 4.120 -0.001 0.000 0.304 484 V C -0.974 174.836 176.094 -0.474 0.000 1.042 484 V CA -1.039 61.121 62.300 -0.234 0.000 0.877 484 V CB 1.479 33.230 31.823 -0.121 0.000 0.996 484 V HN 0.813 nan 8.190 nan 0.000 0.425 485 F N 2.117 121.918 119.950 -0.247 0.000 2.443 485 F HA 0.890 5.417 4.527 -0.001 0.000 0.335 485 F C 0.800 176.256 175.800 -0.573 0.000 1.104 485 F CA -0.302 57.365 58.000 -0.555 0.000 1.013 485 F CB 2.258 40.758 39.000 -0.834 0.000 1.136 485 F HN 0.703 nan 8.300 nan 0.000 0.470 486 G N 0.363 108.896 108.800 -0.445 0.000 2.623 486 G HA2 0.440 4.400 3.960 -0.001 0.000 0.290 486 G HA3 0.440 4.400 3.960 -0.001 0.000 0.290 486 G C 0.025 174.835 174.900 -0.149 0.000 1.437 486 G CA -0.273 44.685 45.100 -0.238 0.000 0.798 486 G HN 0.815 nan 8.290 nan 0.000 0.488 487 G N -0.508 108.319 108.800 0.045 0.000 2.796 487 G HA2 0.335 4.295 3.960 -0.001 0.000 0.210 487 G HA3 0.335 4.295 3.960 -0.001 0.000 0.210 487 G C 0.432 175.350 174.900 0.031 0.000 1.146 487 G CA 0.619 45.771 45.100 0.087 0.000 0.779 487 G HN 1.052 nan 8.290 nan 0.000 0.535 488 N N -1.588 117.101 118.700 -0.018 0.000 2.504 488 N HA 0.328 5.067 4.740 -0.001 0.000 0.268 488 N C 0.719 176.168 175.510 -0.102 0.000 1.184 488 N CA -0.032 52.999 53.050 -0.032 0.000 0.875 488 N CB 1.299 39.781 38.487 -0.009 0.000 1.630 488 N HN -0.108 nan 8.380 nan 0.000 0.486 489 A N 1.466 124.233 122.820 -0.088 0.000 1.933 489 A HA 0.035 4.355 4.320 -0.001 0.000 0.218 489 A C 1.966 179.451 177.584 -0.165 0.000 1.175 489 A CA 2.259 54.223 52.037 -0.122 0.000 0.628 489 A CB -1.272 17.719 19.000 -0.014 0.000 0.814 489 A HN 0.850 nan 8.150 nan 0.000 0.444 490 G N -0.280 108.465 108.800 -0.091 0.000 2.440 490 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.218 490 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.218 490 G C 0.576 175.413 174.900 -0.104 0.000 1.154 490 G CA 0.972 46.030 45.100 -0.070 0.000 0.767 490 G HN 0.461 nan 8.290 nan 0.000 0.552 494 L N 0.715 121.900 121.223 -0.063 0.000 1.990 494 L HA -0.178 4.162 4.340 -0.001 0.000 0.213 494 L C 3.012 179.864 176.870 -0.030 0.000 1.072 494 L CA 1.932 56.754 54.840 -0.031 0.000 0.755 494 L CB -0.639 41.404 42.059 -0.026 0.000 0.889 494 L HN 0.535 nan 8.230 nan 0.000 0.432 495 A N -0.105 122.680 122.820 -0.058 0.000 1.898 495 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 495 A C 2.557 180.116 177.584 -0.043 0.000 1.181 495 A CA 1.701 53.714 52.037 -0.041 0.000 0.620 495 A CB -0.787 18.190 19.000 -0.039 0.000 0.819 495 A HN 0.405 nan 8.150 nan 0.000 0.442 496 A N 0.462 123.258 122.820 -0.040 0.000 1.883 496 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 496 A C 1.898 179.495 177.584 0.022 0.000 1.186 496 A CA 1.965 54.016 52.037 0.024 0.000 0.624 496 A CB -0.671 18.447 19.000 0.196 0.000 0.822 496 A HN 0.544 nan 8.150 nan 0.000 0.444 497 N N 0.241 118.959 118.700 0.030 0.000 2.270 497 N HA -0.021 4.719 4.740 -0.001 0.000 0.181 497 N C 1.789 177.304 175.510 0.009 0.000 1.016 497 N CA 1.335 54.399 53.050 0.022 0.000 0.870 497 N CB -0.569 37.936 38.487 0.029 0.000 0.979 497 N HN 0.482 nan 8.380 nan 0.000 0.431 498 A N 0.759 123.582 122.820 0.005 0.000 1.902 498 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 498 A C 2.381 179.967 177.584 0.003 0.000 1.181 498 A CA 1.918 53.959 52.037 0.006 0.000 0.623 498 A CB -0.746 18.259 19.000 0.008 0.000 0.818 498 A HN 0.215 nan 8.150 nan 0.000 0.443 499 V N -2.117 117.793 119.914 -0.007 0.000 2.649 499 V HA -0.071 4.048 4.120 -0.001 0.000 0.248 499 V C 2.148 178.232 176.094 -0.016 0.000 1.054 499 V CA 1.444 63.737 62.300 -0.013 0.000 1.073 499 V CB -0.793 31.011 31.823 -0.031 0.000 0.699 499 V HN 0.456 nan 8.190 nan 0.000 0.463 500 I N 2.195 122.755 120.570 -0.016 0.000 2.163 500 I HA -0.141 4.029 4.170 -0.001 0.000 0.243 500 I C 2.799 178.909 176.117 -0.012 0.000 1.085 500 I CA 2.069 63.356 61.300 -0.020 0.000 1.347 500 I CB -1.091 36.898 38.000 -0.018 0.000 1.044 500 I HN 0.458 nan 8.210 nan 0.000 0.408 501 G N 0.243 109.041 108.800 -0.004 0.000 2.443 501 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.219 501 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.219 501 G C 1.575 176.477 174.900 0.003 0.000 1.131 501 G CA 1.239 46.340 45.100 0.001 0.000 0.775 501 G HN 0.484 nan 8.290 nan 0.000 0.547 502 T N -2.098 112.459 114.554 0.005 0.000 3.148 502 T HA 0.363 4.712 4.350 -0.001 0.000 0.253 502 T C 1.776 176.479 174.700 0.005 0.000 1.134 502 T CA 0.840 62.945 62.100 0.009 0.000 1.051 502 T CB 0.012 68.890 68.868 0.016 0.000 0.959 502 T HN 1.254 nan 8.240 nan 0.000 0.525 503 G N 0.378 109.177 108.800 -0.002 0.000 2.160 503 G HA2 0.294 4.254 3.960 -0.001 0.000 0.244 503 G HA3 0.294 4.254 3.960 -0.001 0.000 0.244 503 G C 0.537 175.432 174.900 -0.010 0.000 1.022 503 G CA -0.200 44.896 45.100 -0.006 0.000 0.741 503 G HN 1.863 nan 8.290 nan 0.000 0.508 504 G N -2.527 106.265 108.800 -0.014 0.000 2.465 504 G HA2 0.646 4.606 3.960 -0.001 0.000 0.681 504 G HA3 0.646 4.606 3.960 -0.001 0.000 0.681 504 G C 0.629 175.528 174.900 -0.002 0.000 1.340 504 G CA 0.986 46.074 45.100 -0.020 0.000 0.884 504 G HN 2.598 nan 8.290 nan 0.000 0.650 508 V N 0.853 120.894 119.914 0.212 0.000 2.459 508 V HA 0.831 4.951 4.120 -0.001 0.000 0.295 508 V C 0.513 176.683 176.094 0.125 0.000 1.029 508 V CA 0.198 62.650 62.300 0.252 0.000 0.874 508 V CB 1.391 33.346 31.823 0.220 0.000 0.985 508 V HN 1.826 nan 8.190 nan 0.000 0.438 509 A N 3.275 126.162 122.820 0.112 0.000 2.413 509 A HA 0.947 5.267 4.320 -0.001 0.000 0.307 509 A C -0.498 177.116 177.584 0.050 0.000 1.087 509 A CA -0.636 51.433 52.037 0.053 0.000 0.750 509 A CB 2.178 21.189 19.000 0.019 0.000 1.296 509 A HN 0.827 nan 8.150 nan 0.000 0.423 510 S N 0.229 115.941 115.700 0.020 0.000 2.592 510 S HA 0.470 4.939 4.470 -0.001 0.000 0.275 510 S C -0.850 173.748 174.600 -0.003 0.000 1.169 510 S CA -0.142 58.062 58.200 0.008 0.000 0.958 510 S CB 0.462 63.654 63.200 -0.013 0.000 1.095 510 S HN 0.932 nan 8.310 nan 0.000 0.471 511 E N 2.500 122.698 120.200 -0.003 0.000 2.320 511 E HA -0.214 4.135 4.350 -0.001 0.000 0.234 511 E C 0.773 177.370 176.600 -0.006 0.000 1.183 511 E CA 0.861 57.258 56.400 -0.006 0.000 0.713 511 E CB -1.701 27.992 29.700 -0.011 0.000 1.226 511 E HN 1.578 nan 8.360 nan 0.000 0.382 512 G N -0.071 108.725 108.800 -0.006 0.000 2.148 512 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.254 512 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.254 512 G C 0.023 174.921 174.900 -0.004 0.000 0.981 512 G CA 0.902 45.998 45.100 -0.007 0.000 0.670 512 G HN 0.304 nan 8.290 nan 0.000 0.528 513 K N -0.367 120.032 120.400 -0.003 0.000 2.422 513 K HA 0.622 4.942 4.320 -0.001 0.000 0.251 513 K C -0.094 176.509 176.600 0.005 0.000 0.933 513 K CA -1.077 55.211 56.287 0.000 0.000 0.798 513 K CB 3.037 35.536 32.500 -0.001 0.000 1.238 513 K HN 0.014 nan 8.250 nan 0.000 0.428 514 V N 2.591 122.510 119.914 0.009 0.000 2.479 514 V HA -0.019 4.100 4.120 -0.001 0.000 0.281 514 V C 1.289 177.395 176.094 0.019 0.000 1.031 514 V CA 0.446 62.757 62.300 0.018 0.000 1.038 514 V CB 0.616 32.450 31.823 0.018 0.000 0.981 514 V HN 1.074 nan 8.190 nan 0.000 0.478 515 T N 1.064 115.633 114.554 0.025 0.000 3.001 515 T HA 0.587 4.937 4.350 -0.001 0.000 0.251 515 T C 0.354 175.067 174.700 0.022 0.000 1.040 515 T CA 0.446 62.555 62.100 0.015 0.000 0.985 515 T CB 0.474 69.343 68.868 0.001 0.000 1.011 515 T HN 1.087 nan 8.240 nan 0.000 0.509 516 A N 0.812 123.660 122.820 0.045 0.000 2.565 516 A HA 0.672 4.992 4.320 -0.001 0.000 0.298 516 A C -1.555 176.081 177.584 0.086 0.000 1.062 516 A CA -0.933 51.139 52.037 0.058 0.000 0.723 516 A CB 0.868 19.901 19.000 0.055 0.000 1.282 516 A HN 0.398 nan 8.150 nan 0.000 0.400 517 I N 2.424 123.042 120.570 0.081 0.000 2.533 517 I HA 0.444 4.613 4.170 -0.001 0.000 0.290 517 I C -1.201 174.979 176.117 0.106 0.000 1.056 517 I CA -0.863 60.490 61.300 0.088 0.000 1.057 517 I CB 2.069 40.104 38.000 0.058 0.000 1.240 517 I HN 0.529 nan 8.210 nan 0.000 0.423 518 L N 9.200 130.505 121.223 0.137 0.000 2.324 518 L HA 0.634 4.974 4.340 -0.001 0.000 0.274 518 L C -2.608 174.326 176.870 0.108 0.000 1.012 518 L CA -2.269 52.660 54.840 0.147 0.000 0.859 518 L CB 0.663 42.864 42.059 0.237 0.000 1.224 518 L HN 0.216 nan 8.230 nan 0.000 0.429 519 P HA 0.262 nan 4.420 nan 0.000 0.271 519 P C -0.786 176.543 177.300 0.049 0.000 1.220 519 P CA 0.221 63.353 63.100 0.053 0.000 0.768 519 P CB 0.540 32.266 31.700 0.043 0.000 0.848 520 L N 6.029 127.273 121.223 0.034 0.000 2.637 520 L HA 0.281 4.621 4.340 -0.001 0.000 0.241 520 L C -1.773 175.106 176.870 0.015 0.000 1.398 520 L CA -1.465 53.388 54.840 0.023 0.000 0.895 520 L CB 1.628 43.692 42.059 0.009 0.000 1.183 520 L HN 0.221 nan 8.230 nan 0.000 0.497 521 P HA -0.082 nan 4.420 nan 0.000 0.226 521 P C 0.238 177.545 177.300 0.011 0.000 1.153 521 P CA 0.951 64.058 63.100 0.013 0.000 0.777 521 P CB 0.172 31.880 31.700 0.013 0.000 0.794 522 L N -0.492 120.741 121.223 0.017 0.000 2.295 522 L HA 0.207 4.547 4.340 -0.001 0.000 0.288 522 L C 0.671 177.595 176.870 0.089 0.000 1.079 522 L CA -0.281 54.570 54.840 0.018 0.000 0.830 522 L CB -0.192 41.862 42.059 -0.008 0.000 1.200 522 L HN -0.070 nan 8.230 nan 0.000 0.438 523 S N 1.718 117.493 115.700 0.125 0.000 3.011 523 S HA -0.262 4.208 4.470 -0.001 0.000 0.278 523 S C 1.346 175.953 174.600 0.011 0.000 1.300 523 S CA 1.089 59.379 58.200 0.149 0.000 1.248 523 S CB -1.509 61.875 63.200 0.307 0.000 1.517 523 S HN 1.335 nan 8.310 nan 0.000 0.685 524 G N -0.051 108.747 108.800 -0.003 0.000 2.153 524 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.252 524 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.252 524 G C 0.395 175.241 174.900 -0.090 0.000 0.994 524 G CA 0.711 45.786 45.100 -0.042 0.000 0.698 524 G HN 0.701 nan 8.290 nan 0.000 0.521 525 L N -1.349 119.813 121.223 -0.101 0.000 2.624 525 L HA 0.465 4.804 4.340 -0.001 0.000 0.222 525 L C 1.236 178.028 176.870 -0.130 0.000 1.046 525 L CA 0.816 55.533 54.840 -0.205 0.000 0.872 525 L CB 0.463 42.314 42.059 -0.346 0.000 1.190 525 L HN 0.473 nan 8.230 nan 0.000 0.487 526 V N -4.161 115.732 119.914 -0.036 0.000 3.167 526 V HA 0.763 4.882 4.120 -0.001 0.000 0.310 526 V C -0.777 175.338 176.094 0.035 0.000 1.207 526 V CA -0.643 61.659 62.300 0.002 0.000 1.059 526 V CB 1.953 33.810 31.823 0.056 0.000 1.079 526 V HN 0.011 nan 8.190 nan 0.000 0.446 527 S N -0.547 115.180 115.700 0.046 0.000 2.599 527 S HA 0.554 5.024 4.470 -0.001 0.000 0.294 527 S C -0.142 174.497 174.600 0.066 0.000 1.094 527 S CA -0.131 58.099 58.200 0.050 0.000 0.931 527 S CB 1.951 65.179 63.200 0.047 0.000 1.093 527 S HN 0.970 nan 8.310 nan 0.000 0.488 528 D N 1.599 122.035 120.400 0.061 0.000 2.349 528 D HA 0.387 5.026 4.640 -0.001 0.000 0.214 528 D C 0.705 177.041 176.300 0.059 0.000 1.063 528 D CA 0.127 54.169 54.000 0.070 0.000 0.847 528 D CB 0.283 41.120 40.800 0.062 0.000 0.933 528 D HN 0.700 nan 8.370 nan 0.000 0.513 529 A N 1.112 123.963 122.820 0.052 0.000 2.366 529 A HA 0.464 4.783 4.320 -0.001 0.000 0.249 529 A C -2.141 175.471 177.584 0.046 0.000 1.084 529 A CA -0.909 51.156 52.037 0.047 0.000 0.794 529 A CB -0.104 18.923 19.000 0.045 0.000 1.034 529 A HN 0.052 nan 8.150 nan 0.000 0.491 530 P HA 0.074 nan 4.420 nan 0.000 0.270 530 P C 0.970 178.291 177.300 0.035 0.000 1.223 530 P CA -0.512 62.609 63.100 0.035 0.000 0.785 530 P CB 0.409 32.126 31.700 0.028 0.000 0.923 531 L N 2.020 123.259 121.223 0.027 0.000 2.043 531 L HA -0.237 4.103 4.340 -0.001 0.000 0.212 531 L C 1.922 178.811 176.870 0.032 0.000 1.075 531 L CA 2.144 56.999 54.840 0.024 0.000 0.752 531 L CB -1.304 40.757 42.059 0.003 0.000 0.891 531 L HN 0.282 nan 8.230 nan 0.000 0.432 532 E N -0.322 119.895 120.200 0.028 0.000 2.085 532 E HA -0.259 4.091 4.350 -0.001 0.000 0.194 532 E C 2.173 178.799 176.600 0.043 0.000 0.994 532 E CA 1.552 57.972 56.400 0.032 0.000 0.801 532 E CB -0.243 29.472 29.700 0.025 0.000 0.743 532 E HN 0.683 nan 8.360 nan 0.000 0.453 533 E N 0.175 120.400 120.200 0.043 0.000 2.152 533 E HA -0.123 4.227 4.350 -0.001 0.000 0.192 533 E C 1.795 178.435 176.600 0.067 0.000 0.983 533 E CA 0.921 57.351 56.400 0.050 0.000 0.818 533 E CB 0.239 29.965 29.700 0.044 0.000 0.758 533 E HN 0.114 nan 8.360 nan 0.000 0.467 534 V N 1.291 121.246 119.914 0.067 0.000 2.379 534 V HA -0.178 3.942 4.120 -0.001 0.000 0.245 534 V C 2.504 178.670 176.094 0.119 0.000 1.044 534 V CA 1.506 63.856 62.300 0.083 0.000 1.036 534 V CB -0.683 31.175 31.823 0.058 0.000 0.664 534 V HN 0.392 nan 8.190 nan 0.000 0.453 535 A N 0.492 123.373 122.820 0.102 0.000 1.865 535 A HA -0.305 4.014 4.320 -0.001 0.000 0.217 535 A C 2.410 180.088 177.584 0.157 0.000 1.191 535 A CA 2.436 54.552 52.037 0.132 0.000 0.623 535 A CB -0.622 18.432 19.000 0.090 0.000 0.826 535 A HN 0.481 nan 8.150 nan 0.000 0.444 536 R N -0.569 119.994 120.500 0.106 0.000 2.081 536 R HA -0.083 4.257 4.340 -0.001 0.000 0.235 536 R C 2.328 178.682 176.300 0.089 0.000 1.131 536 R CA 1.489 57.638 56.100 0.082 0.000 0.960 536 R CB -0.449 29.885 30.300 0.056 0.000 0.856 536 R HN 0.448 nan 8.270 nan 0.000 0.436 537 A N 0.304 123.189 122.820 0.108 0.000 1.908 537 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 537 A C 1.986 179.667 177.584 0.161 0.000 1.181 537 A CA 1.355 53.463 52.037 0.118 0.000 0.627 537 A CB -0.793 18.282 19.000 0.125 0.000 0.818 537 A HN 0.511 nan 8.150 nan 0.000 0.445 538 F N 1.103 121.083 119.950 0.050 0.000 2.102 538 F HA -0.135 4.391 4.527 -0.000 0.000 0.298 538 F C 2.272 178.100 175.800 0.047 0.000 1.105 538 F CA 2.010 60.042 58.000 0.052 0.000 1.239 538 F CB -0.393 38.608 39.000 0.001 0.000 0.991 538 F HN 0.404 nan 8.300 nan 0.000 0.474 539 E N -0.269 119.930 120.200 -0.000 0.000 2.085 539 E HA -0.249 4.101 4.350 -0.001 0.000 0.194 539 E C 1.764 178.286 176.600 -0.129 0.000 0.994 539 E CA 1.535 57.882 56.400 -0.088 0.000 0.801 539 E CB -0.372 29.329 29.700 0.002 0.000 0.743 539 E HN 0.439 nan 8.360 nan 0.000 0.453 540 D N 0.799 121.160 120.400 -0.065 0.000 2.144 540 D HA -0.118 4.522 4.640 -0.001 0.000 0.200 540 D C 1.996 178.239 176.300 -0.096 0.000 0.978 540 D CA 0.496 54.460 54.000 -0.060 0.000 0.833 540 D CB -0.269 40.525 40.800 -0.011 0.000 0.961 540 D HN 0.057 nan 8.370 nan 0.000 0.470 541 L N 0.804 121.971 121.223 -0.093 0.000 2.083 541 L HA -0.121 4.219 4.340 -0.001 0.000 0.209 541 L C 2.294 178.977 176.870 -0.311 0.000 1.083 541 L CA 1.536 56.328 54.840 -0.080 0.000 0.752 541 L CB -0.145 41.960 42.059 0.077 0.000 0.899 541 L HN -0.131 nan 8.230 nan 0.000 0.433 542 R N -0.369 119.836 120.500 -0.491 0.000 2.066 542 R HA -0.232 4.108 4.340 -0.001 0.000 0.232 542 R C 2.293 178.348 176.300 -0.408 0.000 1.131 542 R CA 1.792 57.492 56.100 -0.667 0.000 0.955 542 R CB -0.365 29.610 30.300 -0.541 0.000 0.851 542 R HN 0.596 nan 8.270 nan 0.000 0.432 543 E N -0.046 120.001 120.200 -0.254 0.000 2.048 543 E HA -0.269 4.081 4.350 -0.001 0.000 0.202 543 E C 1.737 178.226 176.600 -0.184 0.000 1.021 543 E CA 1.910 58.206 56.400 -0.174 0.000 0.825 543 E CB -0.217 29.411 29.700 -0.119 0.000 0.756 543 E HN 0.480 nan 8.360 nan 0.000 0.454 544 A N 0.516 123.233 122.820 -0.170 0.000 1.930 544 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 544 A C 2.422 179.893 177.584 -0.190 0.000 1.175 544 A CA 1.350 53.306 52.037 -0.135 0.000 0.627 544 A CB -0.708 18.253 19.000 -0.065 0.000 0.815 544 A HN 0.312 nan 8.150 nan 0.000 0.443 545 V N 0.129 119.872 119.914 -0.285 0.000 2.626 545 V HA -0.092 4.028 4.120 -0.001 0.000 0.252 545 V C 2.354 178.185 176.094 -0.438 0.000 1.067 545 V CA 2.054 64.141 62.300 -0.355 0.000 1.081 545 V CB -0.719 30.762 31.823 -0.569 0.000 0.686 545 V HN 0.560 nan 8.190 nan 0.000 0.468 546 G N -0.774 107.817 108.800 -0.349 0.000 2.471 546 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.219 546 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.219 546 G C 1.564 176.229 174.900 -0.391 0.000 1.125 546 G CA 0.668 45.553 45.100 -0.358 0.000 0.775 546 G HN 0.529 nan 8.290 nan 0.000 0.548 547 K N -0.367 119.849 120.400 -0.307 0.000 2.365 547 K HA 0.198 4.518 4.320 -0.001 0.000 0.197 547 K C 2.204 178.628 176.600 -0.293 0.000 1.042 547 K CA -0.008 56.128 56.287 -0.252 0.000 0.987 547 K CB 0.399 32.799 32.500 -0.166 0.000 0.779 547 K HN 0.199 nan 8.250 nan 0.000 0.484 548 V N 0.112 119.794 119.914 -0.386 0.000 2.535 548 V HA 0.015 4.135 4.120 -0.001 0.000 0.246 548 V C 0.635 176.368 176.094 -0.601 0.000 1.045 548 V CA 0.662 62.728 62.300 -0.390 0.000 1.058 548 V CB 0.827 32.458 31.823 -0.320 0.000 0.689 548 V HN 0.052 nan 8.190 nan 0.000 0.461 549 V N -0.508 118.856 119.914 -0.917 0.000 3.012 549 V HA 0.466 4.586 4.120 -0.001 0.000 0.307 549 V C -1.208 174.251 176.094 -1.058 0.000 1.166 549 V CA -0.787 60.855 62.300 -1.095 0.000 0.974 549 V CB 2.356 33.055 31.823 -1.873 0.000 1.040 549 V HN 0.422 nan 8.190 nan 0.000 0.428 550 E N 4.631 124.402 120.200 -0.715 0.000 2.152 550 E HA 0.296 4.645 4.350 -0.001 0.000 0.285 550 E C -1.021 175.294 176.600 -0.474 0.000 1.043 550 E CA -0.449 55.631 56.400 -0.533 0.000 0.839 550 E CB 0.620 30.154 29.700 -0.278 0.000 1.069 550 E HN 0.617 nan 8.360 nan 0.000 0.399 551 W N 3.023 124.216 121.300 -0.178 0.000 2.137 551 W HA 0.121 4.781 4.660 -0.001 0.000 0.344 551 W C 0.310 176.764 176.519 -0.107 0.000 1.286 551 W CA -0.432 56.828 57.345 -0.141 0.000 1.240 551 W CB 0.545 29.928 29.460 -0.129 0.000 1.141 551 W HN 0.372 nan 8.180 nan 0.000 0.579 552 Q N 2.851 122.754 119.800 0.171 0.000 2.932 552 Q HA 0.231 4.571 4.340 -0.001 0.000 0.248 552 Q C -2.339 173.673 176.000 0.020 0.000 0.982 552 Q CA -2.070 53.767 55.803 0.057 0.000 0.730 552 Q CB 1.098 29.852 28.738 0.026 0.000 1.249 552 Q HN -0.011 nan 8.270 nan 0.000 0.476 553 P HA -0.035 nan 4.420 nan 0.000 0.267 553 P C -2.222 174.980 177.300 -0.163 0.000 1.201 553 P CA -0.427 62.624 63.100 -0.082 0.000 0.775 553 P CB 0.048 31.700 31.700 -0.080 0.000 0.854 554 P HA 0.279 nan 4.420 nan 0.000 0.321 554 P C -0.218 176.972 177.300 -0.183 0.000 1.304 554 P CA -0.183 62.737 63.100 -0.301 0.000 0.759 554 P CB 0.307 31.717 31.700 -0.483 0.000 1.385 555 Y N -3.830 116.406 120.300 -0.106 0.000 2.734 555 Y HA -0.244 4.306 4.550 -0.001 0.000 0.481 555 Y C 0.762 176.527 175.900 -0.226 0.000 1.145 555 Y CA 0.450 58.465 58.100 -0.140 0.000 2.851 555 Y CB -2.492 35.917 38.460 -0.084 0.000 1.011 555 Y HN 0.218 nan 8.280 nan 0.000 0.572 556 L N 2.436 123.644 121.223 -0.024 0.000 2.399 556 L HA 0.580 4.920 4.340 -0.001 0.000 0.257 556 L C 0.084 176.988 176.870 0.057 0.000 1.236 556 L CA -0.559 54.233 54.840 -0.079 0.000 1.144 556 L CB -0.156 41.894 42.059 -0.014 0.000 1.379 556 L HN 0.213 nan 8.230 nan 0.000 0.414 557 V N 0.028 119.828 119.914 -0.191 0.000 3.141 557 V HA 0.494 4.613 4.120 -0.001 0.000 0.312 557 V C 0.955 176.390 176.094 -1.099 0.000 1.157 557 V CA -0.775 61.170 62.300 -0.591 0.000 1.041 557 V CB 1.174 32.799 31.823 -0.330 0.000 1.071 557 V HN 0.314 nan 8.190 nan 0.000 0.441 558 F N 1.208 120.070 119.950 -1.812 0.000 2.095 558 F HA -0.014 4.512 4.527 -0.001 0.000 0.298 558 F C 2.318 177.783 175.800 -0.558 0.000 1.104 558 F CA 2.386 59.551 58.000 -1.392 0.000 1.232 558 F CB -0.370 38.069 39.000 -0.934 0.000 0.987 558 F HN 0.752 nan 8.300 nan 0.000 0.475 559 K N -0.011 120.239 120.400 -0.250 0.000 2.218 559 K HA -0.177 4.143 4.320 -0.001 0.000 0.205 559 K C 2.099 178.728 176.600 0.047 0.000 1.046 559 K CA 0.997 57.347 56.287 0.105 0.000 0.933 559 K CB -0.389 32.252 32.500 0.235 0.000 0.728 559 K HN 0.344 nan 8.250 nan 0.000 0.454 560 A N 0.322 123.082 122.820 -0.099 0.000 2.067 560 A HA -0.148 4.172 4.320 -0.001 0.000 0.219 560 A C 2.149 179.803 177.584 0.116 0.000 1.158 560 A CA 1.203 53.250 52.037 0.017 0.000 0.661 560 A CB -0.665 18.250 19.000 -0.141 0.000 0.801 560 A HN 0.474 nan 8.150 nan 0.000 0.452 561 C N -1.519 117.637 119.300 -0.240 0.000 2.430 561 C HA -0.027 4.433 4.460 -0.001 0.000 0.288 561 C C 1.636 176.512 174.990 -0.190 0.000 1.448 561 C CA 0.533 59.268 59.018 -0.472 0.000 1.784 561 C CB -1.867 25.400 27.740 -0.789 0.000 1.776 561 C HN 0.642 nan 8.230 nan 0.000 0.547 562 F N -0.390 119.746 119.950 0.310 0.000 2.704 562 F HA 0.283 4.810 4.527 -0.001 0.000 0.304 562 F C 2.047 178.062 175.800 0.357 0.000 1.094 562 F CA 0.508 58.723 58.000 0.359 0.000 1.275 562 F CB -0.470 38.746 39.000 0.360 0.000 1.073 562 F HN 0.150 nan 8.300 nan 0.000 0.586 563 G N -0.609 108.429 108.800 0.397 0.000 3.453 563 G HA2 0.346 4.305 3.960 -0.001 0.000 0.263 563 G HA3 0.346 4.305 3.960 -0.001 0.000 0.263 563 G C 1.425 176.460 174.900 0.223 0.000 1.060 563 G CA 0.533 45.795 45.100 0.269 0.000 0.793 563 G HN 0.250 nan 8.290 nan 0.000 0.532 564 A N 0.570 123.585 122.820 0.325 0.000 2.169 564 A HA 0.176 4.496 4.320 -0.001 0.000 0.212 564 A C 2.226 179.924 177.584 0.190 0.000 1.153 564 A CA 1.853 54.090 52.037 0.334 0.000 0.756 564 A CB -0.218 19.035 19.000 0.422 0.000 0.813 564 A HN 0.418 nan 8.150 nan 0.000 0.471 565 T N -3.351 111.251 114.554 0.081 0.000 3.085 565 T HA 0.306 4.655 4.350 -0.001 0.000 0.264 565 T C 0.279 174.929 174.700 -0.083 0.000 1.019 565 T CA -0.312 61.792 62.100 0.007 0.000 0.910 565 T CB -0.283 68.574 68.868 -0.019 0.000 1.059 565 T HN 0.080 nan 8.240 nan 0.000 0.542 566 L N 2.781 123.894 121.223 -0.183 0.000 2.505 566 L HA 0.615 4.954 4.340 -0.001 0.000 0.279 566 L C 1.481 178.148 176.870 -0.338 0.000 1.211 566 L CA -0.536 54.169 54.840 -0.226 0.000 1.059 566 L CB -0.777 41.175 42.059 -0.178 0.000 1.340 566 L HN 0.313 nan 8.230 nan 0.000 0.447 567 A N 3.318 126.032 122.820 -0.176 0.000 2.015 567 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 567 A C 2.178 179.728 177.584 -0.056 0.000 1.163 567 A CA 1.386 53.373 52.037 -0.084 0.000 0.646 567 A CB -1.058 17.933 19.000 -0.015 0.000 0.806 567 A HN 0.962 nan 8.150 nan 0.000 0.448 568 C N -0.643 118.601 119.300 -0.093 0.000 2.437 568 C HA 0.042 4.501 4.460 -0.001 0.000 0.283 568 C C 0.798 175.764 174.990 -0.039 0.000 1.424 568 C CA -0.955 58.025 59.018 -0.063 0.000 1.782 568 C CB -1.791 25.890 27.740 -0.099 0.000 1.833 568 C HN 0.431 nan 8.230 nan 0.000 0.532 569 N N 1.378 120.028 118.700 -0.083 0.000 2.508 569 N HA 0.306 5.045 4.740 -0.001 0.000 0.264 569 N C -0.306 175.305 175.510 0.168 0.000 1.216 569 N CA -0.278 52.776 53.050 0.007 0.000 0.943 569 N CB 0.564 39.007 38.487 -0.073 0.000 1.113 569 N HN 0.525 nan 8.380 nan 0.000 0.447 570 I N 0.791 121.459 120.570 0.164 0.000 2.815 570 I HA 0.098 4.268 4.170 -0.001 0.000 0.291 570 I C 1.067 177.287 176.117 0.172 0.000 1.209 570 I CA 1.095 62.489 61.300 0.158 0.000 1.431 570 I CB -0.228 37.850 38.000 0.129 0.000 1.351 570 I HN 0.771 nan 8.210 nan 0.000 0.585 571 G N 6.521 115.368 108.800 0.078 0.000 2.710 571 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.668 571 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.668 571 G C -3.005 171.694 174.900 -0.334 0.000 1.320 571 G CA -0.642 44.400 45.100 -0.098 0.000 0.860 571 G HN 0.590 nan 8.290 nan 0.000 0.538 572 P HA 0.368 nan 4.420 nan 0.000 0.278 572 P C -0.819 175.941 177.300 -0.899 0.000 1.238 572 P CA 0.096 62.678 63.100 -0.864 0.000 0.794 572 P CB 0.765 31.491 31.700 -1.624 0.000 0.955 573 H N 0.413 119.360 119.070 -0.205 0.000 2.771 573 H HA 0.238 4.793 4.556 -0.001 0.000 0.361 573 H C -0.263 174.995 175.328 -0.116 0.000 1.108 573 H CA -0.605 55.366 56.048 -0.129 0.000 1.201 573 H CB 1.951 31.676 29.762 -0.061 0.000 1.681 573 H HN 0.369 nan 8.280 nan 0.000 0.534 574 Q N 2.078 121.856 119.800 -0.036 0.000 2.313 574 Q HA 0.223 4.563 4.340 -0.001 0.000 0.266 574 Q C -0.133 175.846 176.000 -0.035 0.000 0.989 574 Q CA 0.097 55.862 55.803 -0.064 0.000 0.890 574 Q CB 0.592 29.241 28.738 -0.148 0.000 1.200 574 Q HN 0.845 nan 8.270 nan 0.000 0.396 575 T N 0.072 114.612 114.554 -0.024 0.000 2.773 575 T HA 0.501 4.851 4.350 -0.001 0.000 0.278 575 T C -0.340 174.348 174.700 -0.021 0.000 1.011 575 T CA -0.728 61.363 62.100 -0.014 0.000 1.014 575 T CB 0.780 69.654 68.868 0.011 0.000 1.293 575 T HN 0.645 nan 8.240 nan 0.000 0.554 579 I N 1.974 122.593 120.570 0.083 0.000 2.352 579 I HA 0.523 4.693 4.170 -0.001 0.000 0.290 579 I C 0.736 176.940 176.117 0.145 0.000 1.036 579 I CA -0.369 60.980 61.300 0.081 0.000 1.336 579 I CB 1.331 39.407 38.000 0.127 0.000 1.407 579 I HN 0.603 nan 8.210 nan 0.000 0.497 580 A N 5.416 128.290 122.820 0.090 0.000 2.312 580 A HA 0.502 4.822 4.320 -0.001 0.000 0.326 580 A C -0.692 176.988 177.584 0.160 0.000 1.172 580 A CA -0.446 51.667 52.037 0.127 0.000 0.821 580 A CB 0.902 19.957 19.000 0.093 0.000 1.166 580 A HN 0.687 nan 8.150 nan 0.000 0.493 581 D N 2.538 123.065 120.400 0.212 0.000 2.473 581 D HA 0.180 4.819 4.640 -0.001 0.000 0.253 581 D C 0.493 176.889 176.300 0.159 0.000 1.233 581 D CA -0.319 53.824 54.000 0.238 0.000 0.908 581 D CB 1.850 42.884 40.800 0.390 0.000 1.170 581 D HN 0.171 nan 8.370 nan 0.000 0.558 582 V N 4.534 124.528 119.914 0.132 0.000 2.759 582 V HA -0.166 3.954 4.120 -0.001 0.000 0.256 582 V C 1.896 178.040 176.094 0.084 0.000 1.080 582 V CA 1.222 63.578 62.300 0.093 0.000 1.101 582 V CB -0.183 31.686 31.823 0.076 0.000 0.698 582 V HN 0.498 nan 8.190 nan 0.000 0.477 583 L N 0.529 121.813 121.223 0.102 0.000 2.217 583 L HA -0.028 4.312 4.340 -0.001 0.000 0.211 583 L C 2.520 179.431 176.870 0.068 0.000 1.107 583 L CA 2.478 57.367 54.840 0.083 0.000 0.783 583 L CB -0.737 41.379 42.059 0.095 0.000 0.919 583 L HN 0.672 nan 8.230 nan 0.000 0.442 584 T N -6.244 108.357 114.554 0.079 0.000 2.978 584 T HA 0.347 4.697 4.350 -0.001 0.000 0.248 584 T C 1.506 176.236 174.700 0.050 0.000 1.018 584 T CA 0.460 62.593 62.100 0.055 0.000 1.026 584 T CB 0.452 69.349 68.868 0.048 0.000 1.032 584 T HN 0.262 nan 8.240 nan 0.000 0.485 585 G N 1.447 110.284 108.800 0.063 0.000 2.159 585 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.256 585 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.256 585 G C -0.032 174.900 174.900 0.053 0.000 0.977 585 G CA 0.242 45.373 45.100 0.052 0.000 0.652 585 G HN 0.842 nan 8.290 nan 0.000 0.531 586 K N 0.828 121.269 120.400 0.068 0.000 2.258 586 K HA 0.654 4.974 4.320 -0.001 0.000 0.284 586 K C 0.497 177.157 176.600 0.099 0.000 1.051 586 K CA -0.390 55.936 56.287 0.066 0.000 0.923 586 K CB 1.175 33.704 32.500 0.049 0.000 1.046 586 K HN 0.129 nan 8.250 nan 0.000 0.474 590 S N 0.973 116.712 115.700 0.065 0.000 2.542 590 S HA 0.446 4.915 4.470 -0.001 0.000 0.293 590 S C -2.283 172.381 174.600 0.107 0.000 1.089 590 S CA -1.345 56.902 58.200 0.077 0.000 0.961 590 S CB 1.618 64.855 63.200 0.061 0.000 1.062 590 S HN -0.053 nan 8.310 nan 0.000 0.483 591 P HA 0.115 nan 4.420 nan 0.000 0.255 591 P C 0.389 177.756 177.300 0.112 0.000 1.248 591 P CA 0.113 63.316 63.100 0.173 0.000 0.807 591 P CB -0.149 31.717 31.700 0.276 0.000 1.150 592 V N 0.833 120.795 119.914 0.079 0.000 2.415 592 V HA 0.093 4.213 4.120 -0.001 0.000 0.267 592 V C 1.409 177.517 176.094 0.024 0.000 1.042 592 V CA -0.077 62.244 62.300 0.035 0.000 1.000 592 V CB -0.487 31.349 31.823 0.022 0.000 1.015 592 V HN -0.108 nan 8.190 nan 0.000 0.478 593 I N 4.496 125.074 120.570 0.013 0.000 2.133 593 I HA 0.045 4.215 4.170 -0.001 0.000 0.238 593 I C 1.073 177.185 176.117 -0.009 0.000 1.074 593 I CA 1.334 62.633 61.300 -0.002 0.000 1.342 593 I CB -0.063 37.933 38.000 -0.006 0.000 1.053 593 I HN 0.923 nan 8.210 nan 0.000 0.404 594 E N -0.325 119.868 120.200 -0.011 0.000 2.390 594 E HA 0.645 4.995 4.350 -0.001 0.000 0.277 594 E C -0.703 175.890 176.600 -0.013 0.000 0.939 594 E CA -0.762 55.630 56.400 -0.013 0.000 0.769 594 E CB 2.552 32.243 29.700 -0.015 0.000 1.251 594 E HN -0.137 nan 8.360 nan 0.000 0.450 595 V N 0.000 119.907 119.914 -0.012 0.000 2.409 595 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 595 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 595 V CB 0.000 31.814 31.823 -0.014 0.000 1.184 595 V HN 0.000 nan 8.190 nan 0.000 0.556