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 1p5d_1_X DATA FIRST_RESID 9 DATA SEQUENCE LPASIFRAYD IRGVVGDTLT AETAYWIGRA IGSESLARGE PCVAVGRDGR DATA SEQUENCE LSGPELVKQL IQGLVDCGCQ VSDVGMVPTP VLYYAANVLE GKSGVMLTGX DATA SEQUENCE HNPPDYNGFK IVVAGETLAN EQIQALRERI EKNDLASGVG SVEQVDILPR DATA SEQUENCE YFKQIRDDIA MAKPMKVVVD CGNGVAGVIA PQLIEALGCS VIPLYCEVDG DATA SEQUENCE NFPNHHPDPG KPENLKDLIA KVKAENADLG LAFDGDGDRV GVVTNTGTII DATA SEQUENCE YPDRLLMLFA KDVVSRNPGA DIIFDVKCTR RLIALISGYG GRPVMWKTGH DATA SEQUENCE SLIKKKMKET GALLAGEMSG HVFFKERWFG FDDGIYSAAR LLEILSQDQR DATA SEQUENCE DSEHVFSAFP SDISTPEINI TVTEDSKFAI IEALQRDAQW GEGNITTLDG DATA SEQUENCE VRVDYPKGWG LVRASNTTPV LVLRFEADTE EELERIKTVF RNQLKAVDSS DATA SEQUENCE LPVPF 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 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.960 176.870 0.151 0.000 1.165 9 L CA 0.000 54.921 54.840 0.136 0.000 0.813 9 L CB 0.000 42.210 42.059 0.252 0.000 0.961 10 P HA 0.189 nan 4.420 nan 0.000 0.271 10 P C 0.377 177.825 177.300 0.246 0.000 1.216 10 P CA -0.286 62.901 63.100 0.145 0.000 0.771 10 P CB 1.446 33.207 31.700 0.102 0.000 0.864 11 A N 3.026 125.956 122.820 0.183 0.000 2.015 11 A HA -0.137 4.182 4.320 -0.001 0.000 0.219 11 A C 2.126 179.875 177.584 0.274 0.000 1.163 11 A CA 1.635 53.806 52.037 0.224 0.000 0.646 11 A CB -1.147 17.909 19.000 0.093 0.000 0.806 11 A HN 0.653 nan 8.150 nan 0.000 0.448 12 S N 0.666 116.470 115.700 0.173 0.000 2.447 12 S HA -0.129 4.340 4.470 -0.001 0.000 0.233 12 S C 1.740 176.403 174.600 0.106 0.000 1.006 12 S CA 1.099 59.374 58.200 0.125 0.000 0.957 12 S CB -0.914 62.333 63.200 0.079 0.000 0.773 12 S HN 0.862 nan 8.310 nan 0.000 0.507 13 I N -2.825 117.793 120.570 0.080 0.000 2.928 13 I HA 0.304 4.473 4.170 -0.001 0.000 0.266 13 I C -0.304 175.708 176.117 -0.176 0.000 1.234 13 I CA 0.057 61.311 61.300 -0.076 0.000 1.483 13 I CB -0.427 37.464 38.000 -0.181 0.000 1.097 13 I HN 0.015 nan 8.210 nan 0.000 0.455 14 F N 3.602 123.588 119.950 0.061 0.000 2.405 14 F HA 0.479 5.005 4.527 -0.001 0.000 0.358 14 F C 0.873 176.700 175.800 0.045 0.000 1.151 14 F CA -0.321 57.711 58.000 0.053 0.000 1.161 14 F CB 0.254 39.274 39.000 0.032 0.000 1.245 14 F HN -0.073 nan 8.300 nan 0.000 0.545 15 R N 0.997 121.582 120.500 0.142 0.000 2.944 15 R HA 0.674 5.013 4.340 -0.001 0.000 0.233 15 R C 1.143 177.463 176.300 0.033 0.000 1.346 15 R CA -0.460 55.682 56.100 0.069 0.000 1.082 15 R CB 0.817 31.129 30.300 0.020 0.000 1.434 15 R HN 0.569 nan 8.270 nan 0.000 0.510 16 A N 0.249 123.009 122.820 -0.100 0.000 1.902 16 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 16 A C 1.306 178.907 177.584 0.029 0.000 1.181 16 A CA 1.584 53.553 52.037 -0.114 0.000 0.623 16 A CB -0.374 18.456 19.000 -0.282 0.000 0.818 16 A HN 0.631 nan 8.150 nan 0.000 0.443 17 Y N -0.239 120.112 120.300 0.084 0.000 2.524 17 Y HA 0.267 4.816 4.550 -0.001 0.000 0.270 17 Y C 0.480 176.434 175.900 0.089 0.000 1.094 17 Y CA -0.537 57.580 58.100 0.028 0.000 1.276 17 Y CB -0.000 38.494 38.460 0.057 0.000 1.130 17 Y HN 0.595 nan 8.280 nan 0.000 0.536 18 D N -1.435 119.132 120.400 0.278 0.000 2.851 18 D HA 0.288 4.928 4.640 -0.001 0.000 0.339 18 D C -1.206 175.197 176.300 0.172 0.000 1.347 18 D CA -0.636 53.523 54.000 0.265 0.000 0.888 18 D CB 0.661 41.673 40.800 0.353 0.000 1.431 18 D HN -0.100 nan 8.370 nan 0.000 0.509 19 I N -0.258 120.410 120.570 0.163 0.000 2.377 19 I HA 0.521 4.690 4.170 -0.001 0.000 0.293 19 I C -0.202 175.981 176.117 0.110 0.000 0.987 19 I CA -0.724 60.608 61.300 0.055 0.000 1.185 19 I CB 1.214 39.203 38.000 -0.019 0.000 1.341 19 I HN 0.149 nan 8.210 nan 0.000 0.455 20 R N 4.356 124.881 120.500 0.042 0.000 2.564 20 R HA 0.741 5.080 4.340 -0.001 0.000 0.284 20 R C -0.567 175.746 176.300 0.021 0.000 1.031 20 R CA -0.787 55.349 56.100 0.061 0.000 0.904 20 R CB 2.406 32.765 30.300 0.098 0.000 1.199 20 R HN 0.830 nan 8.270 nan 0.000 0.443 21 G N 0.712 109.511 108.800 -0.003 0.000 2.749 21 G HA2 0.531 4.490 3.960 -0.001 0.000 0.300 21 G HA3 0.531 4.490 3.960 -0.001 0.000 0.300 21 G C -1.564 173.209 174.900 -0.212 0.000 1.352 21 G CA -0.474 44.580 45.100 -0.077 0.000 0.789 21 G HN 0.231 nan 8.290 nan 0.000 0.509 22 V N 0.696 120.438 119.914 -0.286 0.000 2.384 22 V HA 0.419 4.538 4.120 -0.001 0.000 0.287 22 V C 0.262 176.247 176.094 -0.182 0.000 1.020 22 V CA -0.698 61.359 62.300 -0.405 0.000 0.850 22 V CB 1.305 32.816 31.823 -0.519 0.000 0.987 22 V HN 0.558 nan 8.190 nan 0.000 0.436 23 V N 4.877 124.716 119.914 -0.125 0.000 2.585 23 V HA 0.471 4.591 4.120 -0.001 0.000 0.296 23 V C 1.478 177.546 176.094 -0.043 0.000 1.035 23 V CA 1.485 63.753 62.300 -0.054 0.000 1.084 23 V CB 0.282 32.087 31.823 -0.030 0.000 0.953 23 V HN 1.280 nan 8.190 nan 0.000 0.483 24 G N 3.460 112.248 108.800 -0.020 0.000 2.241 24 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.244 24 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.244 24 G C 0.471 175.362 174.900 -0.015 0.000 0.998 24 G CA 0.611 45.704 45.100 -0.012 0.000 0.621 24 G HN 0.746 nan 8.290 nan 0.000 0.519 25 D N -0.277 120.104 120.400 -0.033 0.000 2.949 25 D HA 0.144 4.783 4.640 -0.001 0.000 0.247 25 D C 2.515 178.804 176.300 -0.017 0.000 1.552 25 D CA 2.309 56.291 54.000 -0.031 0.000 1.231 25 D CB -0.504 40.259 40.800 -0.061 0.000 0.990 25 D HN 0.422 nan 8.370 nan 0.000 0.270 26 T N -1.049 113.485 114.554 -0.035 0.000 3.107 26 T HA 0.253 4.602 4.350 -0.001 0.000 0.249 26 T C 0.382 175.088 174.700 0.011 0.000 1.096 26 T CA -0.250 61.845 62.100 -0.008 0.000 1.012 26 T CB 0.283 69.139 68.868 -0.020 0.000 0.977 26 T HN 0.073 nan 8.240 nan 0.000 0.527 27 L N 2.783 124.009 121.223 0.006 0.000 2.404 27 L HA 0.645 4.984 4.340 -0.001 0.000 0.272 27 L C -0.328 176.574 176.870 0.053 0.000 0.980 27 L CA -0.324 54.543 54.840 0.045 0.000 0.836 27 L CB 1.757 43.836 42.059 0.034 0.000 1.238 27 L HN 0.374 nan 8.230 nan 0.000 0.408 28 T N 1.105 115.712 114.554 0.088 0.000 2.927 28 T HA 0.742 5.091 4.350 -0.001 0.000 0.286 28 T C 1.119 175.886 174.700 0.113 0.000 1.040 28 T CA -0.157 61.993 62.100 0.083 0.000 1.010 28 T CB 1.414 70.332 68.868 0.083 0.000 1.177 28 T HN 0.621 nan 8.240 nan 0.000 0.546 29 A N 0.116 122.990 122.820 0.090 0.000 1.917 29 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 29 A C 2.212 179.873 177.584 0.129 0.000 1.182 29 A CA 2.267 54.361 52.037 0.095 0.000 0.633 29 A CB -1.284 17.750 19.000 0.057 0.000 0.819 29 A HN 1.039 nan 8.150 nan 0.000 0.448 30 E N -1.023 119.260 120.200 0.139 0.000 2.106 30 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 30 E C 1.925 178.725 176.600 0.334 0.000 0.984 30 E CA 1.587 58.109 56.400 0.203 0.000 0.806 30 E CB -0.214 29.622 29.700 0.226 0.000 0.750 30 E HN 0.513 nan 8.360 nan 0.000 0.458 31 T N 0.342 115.066 114.554 0.283 0.000 2.788 31 T HA -0.107 4.243 4.350 -0.001 0.000 0.268 31 T C 1.792 176.624 174.700 0.221 0.000 1.044 31 T CA 1.179 63.451 62.100 0.287 0.000 1.139 31 T CB -0.295 68.696 68.868 0.204 0.000 0.867 31 T HN 0.367 nan 8.240 nan 0.000 0.454 32 A N 0.494 123.448 122.820 0.223 0.000 1.902 32 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 32 A C 2.046 179.678 177.584 0.080 0.000 1.181 32 A CA 1.675 53.852 52.037 0.233 0.000 0.623 32 A CB -1.024 18.180 19.000 0.340 0.000 0.818 32 A HN 0.625 nan 8.150 nan 0.000 0.443 33 Y N -1.019 119.255 120.300 -0.044 0.000 2.097 33 Y HA -0.276 4.274 4.550 -0.001 0.000 0.282 33 Y C 2.128 177.862 175.900 -0.277 0.000 1.152 33 Y CA 2.096 60.060 58.100 -0.228 0.000 1.136 33 Y CB -0.572 37.643 38.460 -0.409 0.000 0.975 33 Y HN 0.440 nan 8.280 nan 0.000 0.498 34 W N 0.158 121.473 121.300 0.026 0.000 2.402 34 W HA -0.110 4.549 4.660 -0.001 0.000 0.286 34 W C 2.298 178.735 176.519 -0.136 0.000 1.221 34 W CA 1.033 58.343 57.345 -0.059 0.000 1.257 34 W CB -0.303 29.213 29.460 0.094 0.000 1.120 34 W HN 0.062 nan 8.180 nan 0.000 0.551 35 I N 0.139 120.721 120.570 0.020 0.000 2.226 35 I HA -0.204 3.966 4.170 -0.001 0.000 0.245 35 I C 2.727 178.715 176.117 -0.216 0.000 1.100 35 I CA 1.563 62.768 61.300 -0.159 0.000 1.374 35 I CB -1.125 36.547 38.000 -0.546 0.000 1.057 35 I HN 0.071 nan 8.210 nan 0.000 0.413 36 G N 0.505 109.151 108.800 -0.257 0.000 2.440 36 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.218 36 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.218 36 G C 1.741 176.496 174.900 -0.243 0.000 1.154 36 G CA 0.809 45.769 45.100 -0.234 0.000 0.767 36 G HN 0.194 nan 8.290 nan 0.000 0.552 37 R N 0.776 121.068 120.500 -0.345 0.000 2.096 37 R HA 0.101 4.440 4.340 -0.001 0.000 0.235 37 R C 2.822 179.085 176.300 -0.062 0.000 1.127 37 R CA 1.649 57.609 56.100 -0.234 0.000 0.968 37 R CB -0.605 29.545 30.300 -0.250 0.000 0.861 37 R HN 0.289 nan 8.270 nan 0.000 0.440 38 A N 0.069 122.877 122.820 -0.019 0.000 1.898 38 A HA -0.067 4.252 4.320 -0.001 0.000 0.216 38 A C 2.191 179.767 177.584 -0.013 0.000 1.181 38 A CA 1.400 53.442 52.037 0.008 0.000 0.620 38 A CB -0.487 18.533 19.000 0.033 0.000 0.819 38 A HN 0.319 nan 8.150 nan 0.000 0.442 39 I N -0.224 120.324 120.570 -0.036 0.000 2.252 39 I HA -0.180 3.989 4.170 -0.001 0.000 0.245 39 I C 2.676 178.779 176.117 -0.023 0.000 1.102 39 I CA 1.101 62.387 61.300 -0.024 0.000 1.385 39 I CB -0.557 37.425 38.000 -0.030 0.000 1.064 39 I HN 0.390 nan 8.210 nan 0.000 0.414 40 G N -0.064 108.711 108.800 -0.043 0.000 2.422 40 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.218 40 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.218 40 G C 1.761 176.648 174.900 -0.023 0.000 1.146 40 G CA 0.946 46.024 45.100 -0.038 0.000 0.769 40 G HN 0.359 nan 8.290 nan 0.000 0.547 41 S N 0.411 116.100 115.700 -0.018 0.000 2.368 41 S HA -0.069 4.400 4.470 -0.001 0.000 0.224 41 S C 2.170 176.768 174.600 -0.004 0.000 1.029 41 S CA 1.459 59.655 58.200 -0.006 0.000 0.988 41 S CB -0.141 63.061 63.200 0.004 0.000 0.838 41 S HN 0.478 nan 8.310 nan 0.000 0.462 42 E N 1.660 121.857 120.200 -0.004 0.000 2.072 42 E HA -0.061 4.288 4.350 -0.001 0.000 0.191 42 E C 2.143 178.742 176.600 -0.001 0.000 0.985 42 E CA 1.260 57.660 56.400 -0.001 0.000 0.801 42 E CB -0.551 29.152 29.700 0.004 0.000 0.750 42 E HN 0.295 nan 8.360 nan 0.000 0.452 43 S N -0.712 114.987 115.700 -0.003 0.000 2.368 43 S HA -0.083 4.386 4.470 -0.001 0.000 0.225 43 S C 1.886 176.483 174.600 -0.005 0.000 1.030 43 S CA 1.191 59.389 58.200 -0.003 0.000 0.999 43 S CB -0.324 62.873 63.200 -0.005 0.000 0.844 43 S HN 0.354 nan 8.310 nan 0.000 0.459 44 L N 0.976 122.196 121.223 -0.006 0.000 2.083 44 L HA -0.063 4.277 4.340 -0.001 0.000 0.209 44 L C 2.803 179.670 176.870 -0.004 0.000 1.083 44 L CA 1.160 55.996 54.840 -0.006 0.000 0.752 44 L CB -0.570 41.485 42.059 -0.006 0.000 0.899 44 L HN 0.391 nan 8.230 nan 0.000 0.433 45 A N -0.118 122.700 122.820 -0.004 0.000 2.067 45 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 45 A C 2.157 179.738 177.584 -0.004 0.000 1.158 45 A CA 1.100 53.135 52.037 -0.003 0.000 0.661 45 A CB -0.334 18.664 19.000 -0.003 0.000 0.801 45 A HN 0.364 nan 8.150 nan 0.000 0.452 46 R N -1.303 119.195 120.500 -0.004 0.000 2.388 46 R HA 0.244 4.584 4.340 -0.001 0.000 0.247 46 R C 0.998 177.295 176.300 -0.005 0.000 0.931 46 R CA 0.460 56.557 56.100 -0.004 0.000 1.082 46 R CB 0.018 30.316 30.300 -0.003 0.000 1.135 46 R HN 0.617 nan 8.270 nan 0.000 0.525 47 G N 1.961 110.758 108.800 -0.005 0.000 2.136 47 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.242 47 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.242 47 G C -0.248 174.648 174.900 -0.007 0.000 0.989 47 G CA 0.229 45.326 45.100 -0.006 0.000 0.682 47 G HN 0.332 nan 8.290 nan 0.000 0.522 48 E N 0.477 120.673 120.200 -0.007 0.000 2.255 48 E HA 0.543 4.892 4.350 -0.001 0.000 0.245 48 E C -1.069 175.526 176.600 -0.009 0.000 0.909 48 E CA -2.240 54.154 56.400 -0.009 0.000 0.747 48 E CB 1.498 31.192 29.700 -0.009 0.000 1.215 48 E HN 0.126 nan 8.360 nan 0.000 0.424 49 P HA 0.054 nan 4.420 nan 0.000 0.236 49 P C -0.189 177.103 177.300 -0.013 0.000 1.177 49 P CA -0.028 63.065 63.100 -0.011 0.000 0.773 49 P CB 0.284 31.979 31.700 -0.010 0.000 0.878 50 C N 1.192 120.483 119.300 -0.014 0.000 2.273 50 C HA 0.527 4.986 4.460 -0.001 0.000 0.328 50 C C 0.229 175.209 174.990 -0.017 0.000 1.275 50 C CA -0.396 58.612 59.018 -0.017 0.000 1.704 50 C CB 0.658 28.386 27.740 -0.020 0.000 2.326 50 C HN 0.001 nan 8.230 nan 0.000 0.517 51 V N 3.415 123.319 119.914 -0.016 0.000 2.577 51 V HA 0.696 4.816 4.120 -0.001 0.000 0.303 51 V C 0.283 176.369 176.094 -0.014 0.000 1.042 51 V CA -0.413 61.880 62.300 -0.012 0.000 0.872 51 V CB 1.531 33.349 31.823 -0.008 0.000 0.998 51 V HN 1.009 nan 8.190 nan 0.000 0.423 52 A N 4.284 127.094 122.820 -0.016 0.000 2.316 52 A HA 0.851 5.170 4.320 -0.001 0.000 0.284 52 A C -0.536 177.043 177.584 -0.009 0.000 1.115 52 A CA -0.417 51.607 52.037 -0.021 0.000 0.812 52 A CB 1.104 20.081 19.000 -0.039 0.000 1.064 52 A HN 0.812 nan 8.150 nan 0.000 0.489 53 V N 1.470 121.376 119.914 -0.013 0.000 2.577 53 V HA 0.715 4.835 4.120 -0.001 0.000 0.303 53 V C 0.540 176.619 176.094 -0.025 0.000 1.042 53 V CA 0.074 62.372 62.300 -0.004 0.000 0.872 53 V CB 1.778 33.606 31.823 0.009 0.000 0.998 53 V HN 1.301 nan 8.190 nan 0.000 0.423 54 G N 3.810 112.587 108.800 -0.038 0.000 2.569 54 G HA2 0.878 4.837 3.960 -0.001 0.000 0.300 54 G HA3 0.878 4.837 3.960 -0.001 0.000 0.300 54 G C -1.097 173.762 174.900 -0.068 0.000 1.269 54 G CA -0.935 44.126 45.100 -0.065 0.000 0.959 54 G HN 0.858 nan 8.290 nan 0.000 0.478 55 R N -0.399 120.055 120.500 -0.076 0.000 2.774 55 R HA 0.621 4.960 4.340 -0.001 0.000 0.272 55 R C -1.044 175.209 176.300 -0.079 0.000 1.000 55 R CA -0.833 55.219 56.100 -0.080 0.000 0.906 55 R CB 1.717 31.977 30.300 -0.067 0.000 1.227 55 R HN 0.553 nan 8.270 nan 0.000 0.468 56 D N 0.762 121.120 120.400 -0.071 0.000 2.453 56 D HA 0.164 4.803 4.640 -0.001 0.000 0.282 56 D C 0.696 176.977 176.300 -0.033 0.000 1.222 56 D CA -0.383 53.590 54.000 -0.045 0.000 1.079 56 D CB 0.014 40.802 40.800 -0.020 0.000 1.128 56 D HN 0.686 nan 8.370 nan 0.000 0.568 57 G N -1.168 107.628 108.800 -0.008 0.000 3.518 57 G HA2 0.125 4.085 3.960 -0.001 0.000 0.273 57 G HA3 0.125 4.085 3.960 -0.001 0.000 0.273 57 G C 0.300 175.153 174.900 -0.077 0.000 1.199 57 G CA -0.477 44.602 45.100 -0.036 0.000 0.899 57 G HN 0.184 nan 8.290 nan 0.000 0.533 58 R N -0.488 119.983 120.500 -0.047 0.000 2.560 58 R HA 0.367 4.706 4.340 -0.001 0.000 0.270 58 R C 1.289 177.540 176.300 -0.081 0.000 1.074 58 R CA -0.631 55.429 56.100 -0.066 0.000 1.140 58 R CB 1.049 31.355 30.300 0.010 0.000 1.073 58 R HN 0.085 nan 8.270 nan 0.000 0.527 59 L N 0.683 121.851 121.223 -0.091 0.000 2.079 59 L HA -0.207 4.132 4.340 -0.001 0.000 0.210 59 L C 2.054 178.896 176.870 -0.048 0.000 1.081 59 L CA 1.644 56.440 54.840 -0.074 0.000 0.752 59 L CB -0.391 41.626 42.059 -0.069 0.000 0.896 59 L HN 0.729 nan 8.230 nan 0.000 0.433 60 S N -0.788 114.889 115.700 -0.037 0.000 2.593 60 S HA 0.048 4.518 4.470 -0.001 0.000 0.217 60 S C 1.937 176.514 174.600 -0.038 0.000 0.966 60 S CA 0.238 58.420 58.200 -0.030 0.000 0.914 60 S CB -0.153 63.032 63.200 -0.025 0.000 0.776 60 S HN 0.392 nan 8.310 nan 0.000 0.523 61 G N 3.349 112.121 108.800 -0.047 0.000 2.545 61 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.217 61 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.217 61 G C -0.675 174.202 174.900 -0.038 0.000 1.218 61 G CA 1.068 46.136 45.100 -0.052 0.000 0.787 61 G HN 0.510 nan 8.290 nan 0.000 0.571 62 P HA -0.075 nan 4.420 nan 0.000 0.215 62 P C 1.689 178.982 177.300 -0.011 0.000 1.157 62 P CA 1.511 64.598 63.100 -0.021 0.000 0.874 62 P CB -0.006 31.680 31.700 -0.023 0.000 0.790 63 E N -0.470 119.725 120.200 -0.009 0.000 2.047 63 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 63 E C 1.939 178.549 176.600 0.017 0.000 0.987 63 E CA 1.005 57.406 56.400 0.002 0.000 0.799 63 E CB -0.439 29.262 29.700 0.002 0.000 0.752 63 E HN 0.157 nan 8.360 nan 0.000 0.449 64 L N 0.178 121.409 121.223 0.014 0.000 2.109 64 L HA -0.095 4.244 4.340 -0.001 0.000 0.207 64 L C 2.582 179.486 176.870 0.057 0.000 1.086 64 L CA 0.295 55.161 54.840 0.043 0.000 0.760 64 L CB -0.231 41.835 42.059 0.011 0.000 0.910 64 L HN 0.103 nan 8.230 nan 0.000 0.437 65 V N 0.829 120.754 119.914 0.019 0.000 2.515 65 V HA -0.309 3.811 4.120 -0.001 0.000 0.250 65 V C 3.004 179.121 176.094 0.038 0.000 1.058 65 V CA 2.375 64.691 62.300 0.027 0.000 1.064 65 V CB -0.296 31.524 31.823 -0.005 0.000 0.675 65 V HN 0.521 nan 8.190 nan 0.000 0.461 66 K N -1.323 119.094 120.400 0.029 0.000 2.097 66 K HA -0.218 4.101 4.320 -0.001 0.000 0.206 66 K C 1.897 178.527 176.600 0.050 0.000 1.049 66 K CA 1.727 58.031 56.287 0.028 0.000 0.933 66 K CB -0.638 31.872 32.500 0.017 0.000 0.717 66 K HN 0.607 nan 8.250 nan 0.000 0.442 67 Q N -0.372 119.471 119.800 0.072 0.000 2.083 67 Q HA -0.032 4.307 4.340 -0.001 0.000 0.198 67 Q C 2.260 178.318 176.000 0.096 0.000 0.969 67 Q CA 1.307 57.180 55.803 0.116 0.000 0.838 67 Q CB -0.537 28.278 28.738 0.128 0.000 0.900 67 Q HN 0.497 nan 8.270 nan 0.000 0.436 68 L N 0.829 122.110 121.223 0.097 0.000 2.012 68 L HA -0.158 4.182 4.340 -0.001 0.000 0.210 68 L C 2.115 178.988 176.870 0.004 0.000 1.073 68 L CA 1.594 56.479 54.840 0.074 0.000 0.748 68 L CB -0.687 41.492 42.059 0.200 0.000 0.891 68 L HN 0.124 nan 8.230 nan 0.000 0.431 69 I N -0.855 119.730 120.570 0.024 0.000 2.226 69 I HA -0.309 3.860 4.170 -0.001 0.000 0.245 69 I C 2.561 178.671 176.117 -0.011 0.000 1.100 69 I CA 1.479 62.781 61.300 0.003 0.000 1.374 69 I CB -0.305 37.701 38.000 0.011 0.000 1.057 69 I HN 0.407 nan 8.210 nan 0.000 0.413 70 Q N 1.110 120.923 119.800 0.022 0.000 2.124 70 Q HA -0.128 4.212 4.340 -0.001 0.000 0.202 70 Q C 2.108 178.093 176.000 -0.024 0.000 0.977 70 Q CA 1.977 57.815 55.803 0.058 0.000 0.850 70 Q CB -0.577 28.252 28.738 0.152 0.000 0.901 70 Q HN 0.490 nan 8.270 nan 0.000 0.429 71 G N 0.162 108.805 108.800 -0.261 0.000 2.418 71 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 71 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 71 G C 1.305 176.002 174.900 -0.339 0.000 1.158 71 G CA 0.925 45.596 45.100 -0.716 0.000 0.771 71 G HN 0.377 nan 8.290 nan 0.000 0.545 72 L N 0.135 121.247 121.223 -0.185 0.000 2.017 72 L HA -0.074 4.266 4.340 -0.001 0.000 0.208 72 L C 2.998 179.825 176.870 -0.072 0.000 1.073 72 L CA 0.470 55.247 54.840 -0.105 0.000 0.745 72 L CB -0.562 41.461 42.059 -0.060 0.000 0.894 72 L HN 0.074 nan 8.230 nan 0.000 0.432 73 V N -0.271 119.611 119.914 -0.053 0.000 2.392 73 V HA -0.301 3.818 4.120 -0.001 0.000 0.249 73 V C 1.809 177.891 176.094 -0.020 0.000 1.059 73 V CA 1.866 64.151 62.300 -0.025 0.000 1.051 73 V CB -0.525 31.293 31.823 -0.008 0.000 0.658 73 V HN 0.432 nan 8.190 nan 0.000 0.455 74 D N -1.169 119.214 120.400 -0.028 0.000 2.371 74 D HA -0.072 4.568 4.640 -0.001 0.000 0.221 74 D C 1.822 178.112 176.300 -0.016 0.000 0.986 74 D CA 0.755 54.753 54.000 -0.004 0.000 0.899 74 D CB -0.223 40.602 40.800 0.042 0.000 0.902 74 D HN 0.471 nan 8.370 nan 0.000 0.530 75 C N -0.838 118.439 119.300 -0.039 0.000 2.563 75 C HA 0.341 4.800 4.460 -0.001 0.000 0.268 75 C C 1.898 176.881 174.990 -0.011 0.000 1.365 75 C CA 0.516 59.520 59.018 -0.023 0.000 1.754 75 C CB -0.537 27.182 27.740 -0.036 0.000 1.932 75 C HN 0.528 nan 8.230 nan 0.000 0.536 76 G N -0.712 108.081 108.800 -0.011 0.000 2.144 76 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.218 76 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.218 76 G C 0.032 174.925 174.900 -0.011 0.000 0.988 76 G CA -0.019 45.077 45.100 -0.007 0.000 0.659 76 G HN 0.477 nan 8.290 nan 0.000 0.522 77 C N 0.958 120.247 119.300 -0.017 0.000 2.605 77 C HA 0.538 4.998 4.460 -0.001 0.000 0.404 77 C C 0.921 175.902 174.990 -0.015 0.000 1.284 77 C CA -0.160 58.848 59.018 -0.017 0.000 2.199 77 C CB 0.833 28.560 27.740 -0.023 0.000 2.647 77 C HN 0.579 nan 8.230 nan 0.000 0.604 78 Q N 1.424 121.216 119.800 -0.013 0.000 2.421 78 Q HA 0.412 4.751 4.340 -0.001 0.000 0.242 78 Q C -0.701 175.290 176.000 -0.014 0.000 1.024 78 Q CA -0.171 55.624 55.803 -0.012 0.000 0.891 78 Q CB 0.861 29.592 28.738 -0.012 0.000 1.222 78 Q HN 0.565 nan 8.270 nan 0.000 0.483 79 V N 2.036 121.942 119.914 -0.013 0.000 2.509 79 V HA 0.203 4.322 4.120 -0.001 0.000 0.284 79 V C 0.126 176.212 176.094 -0.013 0.000 1.047 79 V CA -0.376 61.916 62.300 -0.013 0.000 0.952 79 V CB 1.752 33.568 31.823 -0.011 0.000 0.988 79 V HN 0.651 nan 8.190 nan 0.000 0.469 80 S N 2.991 118.682 115.700 -0.016 0.000 2.461 80 S HA 0.215 4.685 4.470 -0.001 0.000 0.322 80 S C -0.370 174.220 174.600 -0.017 0.000 1.063 80 S CA -0.478 57.712 58.200 -0.017 0.000 1.120 80 S CB 0.452 63.638 63.200 -0.023 0.000 0.968 80 S HN 0.848 nan 8.310 nan 0.000 0.467 81 D N 2.990 123.382 120.400 -0.014 0.000 2.365 81 D HA 0.131 4.771 4.640 -0.001 0.000 0.237 81 D C 1.009 177.298 176.300 -0.018 0.000 1.190 81 D CA -0.589 53.402 54.000 -0.015 0.000 0.867 81 D CB 0.829 41.622 40.800 -0.011 0.000 1.050 81 D HN 0.325 nan 8.370 nan 0.000 0.491 82 V N 2.123 122.022 119.914 -0.024 0.000 3.633 82 V HA 0.444 4.563 4.120 -0.001 0.000 0.283 82 V C 1.274 177.348 176.094 -0.033 0.000 1.305 82 V CA 0.528 62.812 62.300 -0.027 0.000 1.153 82 V CB -0.822 30.980 31.823 -0.034 0.000 0.950 82 V HN 0.703 nan 8.190 nan 0.000 0.432 83 G N 1.062 109.842 108.800 -0.032 0.000 2.528 83 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.262 83 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.262 83 G C -0.105 174.767 174.900 -0.046 0.000 1.200 83 G CA 0.353 45.432 45.100 -0.034 0.000 0.951 83 G HN 0.798 nan 8.290 nan 0.000 0.566 84 M N 1.363 120.935 119.600 -0.046 0.000 2.077 84 M HA 0.553 5.032 4.480 -0.001 0.000 0.348 84 M C 0.204 176.464 176.300 -0.067 0.000 1.252 84 M CA -0.508 54.760 55.300 -0.054 0.000 1.096 84 M CB 0.360 32.934 32.600 -0.045 0.000 1.568 84 M HN 1.436 nan 8.290 nan 0.000 0.456 85 V N 3.138 122.998 119.914 -0.090 0.000 3.147 85 V HA 0.768 4.888 4.120 -0.001 0.000 0.306 85 V C -3.002 173.002 176.094 -0.149 0.000 1.209 85 V CA -2.229 59.996 62.300 -0.125 0.000 1.023 85 V CB 1.488 33.221 31.823 -0.151 0.000 1.059 85 V HN 0.630 nan 8.190 nan 0.000 0.435 86 P HA 0.227 nan 4.420 nan 0.000 0.269 86 P C 1.030 178.173 177.300 -0.263 0.000 1.209 86 P CA 0.387 63.372 63.100 -0.192 0.000 0.776 86 P CB 0.503 32.081 31.700 -0.203 0.000 0.876 87 T N 4.047 118.440 114.554 -0.269 0.000 2.620 87 T HA -0.141 4.208 4.350 -0.001 0.000 0.267 87 T C -0.748 173.536 174.700 -0.693 0.000 1.044 87 T CA 2.429 64.248 62.100 -0.469 0.000 1.161 87 T CB -1.799 66.837 68.868 -0.388 0.000 0.862 87 T HN 0.588 nan 8.240 nan 0.000 0.438 88 P HA 0.023 nan 4.420 nan 0.000 0.220 88 P C 1.536 178.646 177.300 -0.317 0.000 1.148 88 P CA 0.730 63.698 63.100 -0.220 0.000 0.803 88 P CB -0.240 31.646 31.700 0.310 0.000 0.782 89 V N 0.894 120.559 119.914 -0.415 0.000 2.453 89 V HA -0.162 3.958 4.120 -0.001 0.000 0.247 89 V C 2.645 178.589 176.094 -0.250 0.000 1.048 89 V CA 1.142 63.166 62.300 -0.460 0.000 1.049 89 V CB -1.159 30.305 31.823 -0.599 0.000 0.672 89 V HN 0.083 nan 8.190 nan 0.000 0.457 90 L N -0.386 120.650 121.223 -0.312 0.000 2.046 90 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 90 L C 2.610 179.359 176.870 -0.201 0.000 1.077 90 L CA 2.427 57.125 54.840 -0.236 0.000 0.747 90 L CB -0.940 40.967 42.059 -0.254 0.000 0.896 90 L HN 0.322 nan 8.230 nan 0.000 0.432 91 Y N -0.746 119.298 120.300 -0.427 0.000 2.207 91 Y HA -0.296 4.254 4.550 -0.001 0.000 0.287 91 Y C 2.672 178.137 175.900 -0.726 0.000 1.156 91 Y CA 1.225 58.916 58.100 -0.682 0.000 1.182 91 Y CB -1.597 36.130 38.460 -1.223 0.000 0.979 91 Y HN 0.282 nan 8.280 nan 0.000 0.521 92 Y N 0.496 120.421 120.300 -0.625 0.000 2.128 92 Y HA -0.226 4.324 4.550 -0.001 0.000 0.284 92 Y C 2.504 178.222 175.900 -0.304 0.000 1.154 92 Y CA 1.521 59.399 58.100 -0.371 0.000 1.149 92 Y CB -0.720 37.722 38.460 -0.030 0.000 0.976 92 Y HN 0.032 nan 8.280 nan 0.000 0.505 93 A N 0.615 123.325 122.820 -0.184 0.000 1.908 93 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 93 A C 2.304 179.752 177.584 -0.228 0.000 1.181 93 A CA 2.010 53.922 52.037 -0.207 0.000 0.627 93 A CB -1.531 17.417 19.000 -0.086 0.000 0.818 93 A HN 0.636 nan 8.150 nan 0.000 0.445 94 A N -0.995 121.717 122.820 -0.180 0.000 2.239 94 A HA -0.004 4.316 4.320 -0.001 0.000 0.209 94 A C 1.678 179.165 177.584 -0.161 0.000 1.171 94 A CA 1.011 52.970 52.037 -0.129 0.000 0.768 94 A CB -0.409 18.555 19.000 -0.060 0.000 0.790 94 A HN 0.603 nan 8.150 nan 0.000 0.478 95 N N -0.732 117.793 118.700 -0.290 0.000 2.348 95 N HA 0.004 4.744 4.740 -0.001 0.000 0.183 95 N C 1.419 176.724 175.510 -0.342 0.000 1.094 95 N CA 1.431 54.296 53.050 -0.309 0.000 0.885 95 N CB 0.881 39.075 38.487 -0.488 0.000 1.065 95 N HN 0.491 nan 8.380 nan 0.000 0.472 96 V N -1.944 117.691 119.914 -0.465 0.000 3.570 96 V HA 0.347 4.466 4.120 -0.001 0.000 0.257 96 V C 1.082 177.047 176.094 -0.215 0.000 1.272 96 V CA -0.023 62.053 62.300 -0.375 0.000 1.079 96 V CB 0.010 31.471 31.823 -0.603 0.000 0.829 96 V HN -0.112 nan 8.190 nan 0.000 0.454 97 L N 0.312 121.419 121.223 -0.194 0.000 2.505 97 L HA 0.543 4.882 4.340 -0.001 0.000 0.226 97 L C 2.543 179.366 176.870 -0.079 0.000 1.211 97 L CA 0.587 55.361 54.840 -0.110 0.000 0.828 97 L CB -0.035 41.968 42.059 -0.093 0.000 1.331 97 L HN 0.319 nan 8.230 nan 0.000 0.513 98 E N 0.693 120.862 120.200 -0.053 0.000 2.058 98 E HA -0.051 4.298 4.350 -0.001 0.000 0.194 98 E C 1.011 177.588 176.600 -0.038 0.000 0.997 98 E CA 1.217 57.595 56.400 -0.038 0.000 0.801 98 E CB -0.956 28.728 29.700 -0.027 0.000 0.746 98 E HN 0.807 nan 8.360 nan 0.000 0.450 99 G N -0.737 108.038 108.800 -0.041 0.000 2.448 99 G HA2 0.437 4.396 3.960 -0.001 0.000 0.285 99 G HA3 0.437 4.396 3.960 -0.001 0.000 0.285 99 G C 0.323 175.197 174.900 -0.043 0.000 1.176 99 G CA -0.281 44.798 45.100 -0.035 0.000 0.852 99 G HN 0.101 nan 8.290 nan 0.000 0.530 100 K N 0.563 120.945 120.400 -0.031 0.000 2.397 100 K HA 0.212 4.531 4.320 -0.001 0.000 0.202 100 K C 0.444 177.032 176.600 -0.020 0.000 1.022 100 K CA -0.043 56.226 56.287 -0.030 0.000 1.141 100 K CB 0.737 33.225 32.500 -0.021 0.000 0.857 100 K HN 0.276 nan 8.250 nan 0.000 0.514 101 S N 0.066 115.756 115.700 -0.016 0.000 2.593 101 S HA 0.772 5.241 4.470 -0.001 0.000 0.297 101 S C 0.089 174.691 174.600 0.003 0.000 1.112 101 S CA -0.683 57.516 58.200 -0.002 0.000 1.043 101 S CB 2.096 65.296 63.200 0.000 0.000 1.054 101 S HN 0.368 nan 8.310 nan 0.000 0.516 102 G N 0.318 109.134 108.800 0.028 0.000 2.732 102 G HA2 0.568 4.527 3.960 -0.001 0.000 0.296 102 G HA3 0.568 4.527 3.960 -0.001 0.000 0.296 102 G C -1.932 173.016 174.900 0.080 0.000 1.448 102 G CA -0.457 44.667 45.100 0.040 0.000 0.911 102 G HN 0.633 nan 8.290 nan 0.000 0.528 103 V N 1.508 121.467 119.914 0.075 0.000 2.531 103 V HA 0.643 4.763 4.120 -0.001 0.000 0.301 103 V C -0.364 175.779 176.094 0.081 0.000 1.034 103 V CA -0.707 61.664 62.300 0.119 0.000 0.865 103 V CB 1.691 33.601 31.823 0.144 0.000 0.995 103 V HN 0.854 nan 8.190 nan 0.000 0.424 104 M N 5.659 125.306 119.600 0.078 0.000 2.149 104 M HA 0.582 5.061 4.480 -0.001 0.000 0.342 104 M C -1.120 175.160 176.300 -0.034 0.000 1.068 104 M CA -0.623 54.666 55.300 -0.019 0.000 0.991 104 M CB 1.236 33.772 32.600 -0.106 0.000 1.596 104 M HN 0.615 nan 8.290 nan 0.000 0.439 105 L N 5.627 126.788 121.223 -0.104 0.000 2.312 105 L HA 0.633 4.972 4.340 -0.001 0.000 0.287 105 L C -0.711 176.036 176.870 -0.205 0.000 1.091 105 L CA 0.719 55.402 54.840 -0.261 0.000 0.846 105 L CB 0.332 42.249 42.059 -0.238 0.000 1.219 105 L HN 0.861 nan 8.230 nan 0.000 0.439 106 T N 2.748 117.179 114.554 -0.204 0.000 2.932 106 T HA 0.744 5.094 4.350 -0.001 0.000 0.318 106 T C -0.185 174.463 174.700 -0.086 0.000 1.265 106 T CA -0.046 61.987 62.100 -0.112 0.000 1.036 106 T CB 1.080 69.903 68.868 -0.076 0.000 1.209 106 T HN 0.711 nan 8.240 nan 0.000 0.484 110 N N 3.121 121.524 118.700 -0.494 0.000 2.399 110 N HA 0.223 4.962 4.740 -0.001 0.000 0.250 110 N C -2.483 172.811 175.510 -0.359 0.000 1.272 110 N CA -0.924 51.806 53.050 -0.534 0.000 0.928 110 N CB 0.595 38.649 38.487 -0.721 0.000 1.158 110 N HN 0.096 nan 8.380 nan 0.000 0.463 111 P HA -0.005 nan 4.420 nan 0.000 0.270 111 P C -1.907 175.525 177.300 0.220 0.000 1.227 111 P CA -0.735 62.332 63.100 -0.056 0.000 0.788 111 P CB 0.049 31.729 31.700 -0.033 0.000 0.926 112 P HA -0.199 nan 4.420 nan 0.000 0.217 112 P C 0.653 178.090 177.300 0.228 0.000 1.151 112 P CA 1.637 64.923 63.100 0.309 0.000 0.849 112 P CB -0.079 31.723 31.700 0.168 0.000 0.787 113 D N -3.043 117.508 120.400 0.252 0.000 2.349 113 D HA -0.013 4.627 4.640 -0.001 0.000 0.224 113 D C 0.220 176.585 176.300 0.109 0.000 1.029 113 D CA 0.392 54.475 54.000 0.139 0.000 0.879 113 D CB -0.325 40.516 40.800 0.069 0.000 0.906 113 D HN 0.194 nan 8.370 nan 0.000 0.528 114 Y N 0.763 121.076 120.300 0.022 0.000 2.309 114 Y HA 0.320 4.869 4.550 -0.001 0.000 0.327 114 Y C 1.117 177.002 175.900 -0.025 0.000 1.172 114 Y CA -0.142 57.955 58.100 -0.005 0.000 1.280 114 Y CB 0.679 39.127 38.460 -0.020 0.000 1.234 114 Y HN -0.232 nan 8.280 nan 0.000 0.512 115 N N -0.530 118.203 118.700 0.054 0.000 3.243 115 N HA 0.729 5.468 4.740 -0.001 0.000 0.280 115 N C -0.747 174.701 175.510 -0.105 0.000 1.545 115 N CA 0.075 53.096 53.050 -0.048 0.000 0.854 115 N CB 2.195 40.613 38.487 -0.115 0.000 1.612 115 N HN 0.809 nan 8.380 nan 0.000 0.577 116 G N -0.714 107.910 108.800 -0.293 0.000 2.321 116 G HA2 0.468 4.427 3.960 -0.001 0.000 0.296 116 G HA3 0.468 4.427 3.960 -0.001 0.000 0.296 116 G C -2.247 172.311 174.900 -0.570 0.000 1.287 116 G CA -0.625 44.315 45.100 -0.266 0.000 0.846 116 G HN 0.246 nan 8.290 nan 0.000 0.508 117 F N 0.456 120.418 119.950 0.021 0.000 2.557 117 F HA 0.616 5.143 4.527 -0.001 0.000 0.316 117 F C 0.181 176.038 175.800 0.095 0.000 1.141 117 F CA -0.758 57.267 58.000 0.040 0.000 0.922 117 F CB 2.752 41.765 39.000 0.021 0.000 1.194 117 F HN 0.152 nan 8.300 nan 0.000 0.443 118 K N 4.419 124.978 120.400 0.265 0.000 2.274 118 K HA 0.776 5.095 4.320 -0.001 0.000 0.262 118 K C -1.139 175.635 176.600 0.291 0.000 0.961 118 K CA -0.524 55.948 56.287 0.309 0.000 0.833 118 K CB 2.213 34.915 32.500 0.336 0.000 1.102 118 K HN 0.542 nan 8.250 nan 0.000 0.436 119 I N 2.658 123.381 120.570 0.256 0.000 2.499 119 I HA 0.292 4.461 4.170 -0.001 0.000 0.288 119 I C -0.900 175.296 176.117 0.133 0.000 1.048 119 I CA -1.157 60.252 61.300 0.182 0.000 1.062 119 I CB 2.056 40.144 38.000 0.146 0.000 1.238 119 I HN 0.180 nan 8.210 nan 0.000 0.426 120 V N 6.877 126.854 119.914 0.105 0.000 2.448 120 V HA 0.507 4.626 4.120 -0.001 0.000 0.295 120 V C -0.337 175.778 176.094 0.036 0.000 1.025 120 V CA -0.674 61.656 62.300 0.051 0.000 0.859 120 V CB 2.224 34.063 31.823 0.026 0.000 0.988 120 V HN 0.416 nan 8.190 nan 0.000 0.431 121 V N 3.559 123.486 119.914 0.023 0.000 2.483 121 V HA 0.679 4.798 4.120 -0.001 0.000 0.297 121 V C 0.605 176.701 176.094 0.005 0.000 1.027 121 V CA -0.221 62.088 62.300 0.014 0.000 0.855 121 V CB 1.305 33.138 31.823 0.016 0.000 0.995 121 V HN 1.315 nan 8.190 nan 0.000 0.424 122 A N 3.944 126.764 122.820 -0.000 0.000 2.640 122 A HA 0.034 4.354 4.320 -0.001 0.000 0.300 122 A C 1.822 179.403 177.584 -0.004 0.000 1.499 122 A CA 1.543 53.578 52.037 -0.004 0.000 0.759 122 A CB -1.468 17.530 19.000 -0.004 0.000 1.048 122 A HN 2.690 nan 8.150 nan 0.000 0.450 123 G N -1.818 106.979 108.800 -0.005 0.000 2.268 123 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.240 123 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.240 123 G C 0.010 174.908 174.900 -0.004 0.000 1.010 123 G CA 1.049 46.147 45.100 -0.003 0.000 0.618 123 G HN 1.685 nan 8.290 nan 0.000 0.516 124 E N 1.341 121.539 120.200 -0.004 0.000 2.197 124 E HA 0.542 4.892 4.350 -0.001 0.000 0.281 124 E C -0.286 176.314 176.600 -0.001 0.000 0.995 124 E CA -0.298 56.099 56.400 -0.005 0.000 0.808 124 E CB 0.658 30.356 29.700 -0.003 0.000 1.093 124 E HN 0.093 nan 8.360 nan 0.000 0.394 125 T N 5.092 119.640 114.554 -0.010 0.000 2.779 125 T HA 0.185 4.534 4.350 -0.001 0.000 0.296 125 T C 0.328 175.036 174.700 0.015 0.000 0.938 125 T CA -0.274 61.824 62.100 -0.004 0.000 1.119 125 T CB 0.109 68.957 68.868 -0.034 0.000 0.891 125 T HN 0.371 nan 8.240 nan 0.000 0.526 126 L N 2.826 124.074 121.223 0.043 0.000 2.417 126 L HA 0.622 4.961 4.340 -0.001 0.000 0.268 126 L C 0.549 177.457 176.870 0.063 0.000 1.158 126 L CA -0.454 54.417 54.840 0.053 0.000 0.819 126 L CB 0.532 42.633 42.059 0.071 0.000 1.112 126 L HN 0.731 nan 8.230 nan 0.000 0.458 127 A N 2.062 124.919 122.820 0.063 0.000 2.609 127 A HA 0.600 4.919 4.320 -0.001 0.000 0.291 127 A C -0.223 177.402 177.584 0.067 0.000 1.096 127 A CA -0.595 51.492 52.037 0.083 0.000 0.684 127 A CB 1.461 20.515 19.000 0.089 0.000 1.282 127 A HN 0.768 nan 8.150 nan 0.000 0.412 128 N N 0.440 119.179 118.700 0.065 0.000 1.293 128 N HA -0.251 4.489 4.740 -0.001 0.000 0.140 128 N C 1.291 176.815 175.510 0.022 0.000 0.753 128 N CA 1.799 54.865 53.050 0.027 0.000 0.979 128 N CB -0.752 37.742 38.487 0.011 0.000 1.228 128 N HN 1.035 nan 8.380 nan 0.000 0.509 129 E N 2.181 122.383 120.200 0.004 0.000 2.265 129 E HA -0.177 4.172 4.350 -0.001 0.000 0.196 129 E C 1.391 177.995 176.600 0.005 0.000 0.996 129 E CA 1.772 58.170 56.400 -0.004 0.000 0.832 129 E CB -0.461 29.230 29.700 -0.014 0.000 0.756 129 E HN 0.722 nan 8.360 nan 0.000 0.491 130 Q N 0.020 119.833 119.800 0.022 0.000 2.172 130 Q HA 0.007 4.346 4.340 -0.001 0.000 0.200 130 Q C 2.317 178.347 176.000 0.050 0.000 0.964 130 Q CA 0.984 56.803 55.803 0.028 0.000 0.855 130 Q CB 0.047 28.804 28.738 0.032 0.000 0.918 130 Q HN 0.280 nan 8.270 nan 0.000 0.444 131 I N 0.896 121.515 120.570 0.082 0.000 2.252 131 I HA -0.209 3.961 4.170 -0.001 0.000 0.245 131 I C 2.165 178.359 176.117 0.128 0.000 1.102 131 I CA 1.175 62.566 61.300 0.152 0.000 1.385 131 I CB -0.910 37.204 38.000 0.190 0.000 1.064 131 I HN 0.286 nan 8.210 nan 0.000 0.414 132 Q N 0.774 120.601 119.800 0.043 0.000 2.181 132 Q HA -0.117 4.223 4.340 -0.001 0.000 0.205 132 Q C 2.383 178.307 176.000 -0.127 0.000 0.980 132 Q CA 1.698 57.458 55.803 -0.072 0.000 0.862 132 Q CB -0.557 28.151 28.738 -0.050 0.000 0.905 132 Q HN 0.533 nan 8.270 nan 0.000 0.429 133 A N 0.674 123.458 122.820 -0.060 0.000 1.972 133 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 133 A C 2.237 179.776 177.584 -0.074 0.000 1.169 133 A CA 0.911 52.912 52.037 -0.061 0.000 0.635 133 A CB -0.593 18.391 19.000 -0.028 0.000 0.810 133 A HN 0.317 nan 8.150 nan 0.000 0.446 134 L N -1.206 119.987 121.223 -0.049 0.000 2.017 134 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 134 L C 2.782 179.565 176.870 -0.146 0.000 1.073 134 L CA 1.763 56.587 54.840 -0.026 0.000 0.745 134 L CB -0.555 41.566 42.059 0.104 0.000 0.894 134 L HN 0.428 nan 8.230 nan 0.000 0.432 135 R N 0.616 120.842 120.500 -0.456 0.000 2.091 135 R HA -0.214 4.126 4.340 -0.001 0.000 0.238 135 R C 2.137 178.214 176.300 -0.371 0.000 1.136 135 R CA 1.925 57.552 56.100 -0.789 0.000 0.959 135 R CB -0.087 29.377 30.300 -1.394 0.000 0.856 135 R HN 0.418 nan 8.270 nan 0.000 0.437 136 E N -0.443 119.597 120.200 -0.266 0.000 2.106 136 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 136 E C 2.198 178.727 176.600 -0.119 0.000 0.984 136 E CA 0.963 57.263 56.400 -0.166 0.000 0.806 136 E CB 0.004 29.629 29.700 -0.125 0.000 0.750 136 E HN 0.283 nan 8.360 nan 0.000 0.458 137 R N 0.340 120.782 120.500 -0.096 0.000 2.091 137 R HA -0.133 4.206 4.340 -0.001 0.000 0.238 137 R C 2.316 178.582 176.300 -0.055 0.000 1.136 137 R CA 1.247 57.314 56.100 -0.055 0.000 0.959 137 R CB -0.309 29.975 30.300 -0.026 0.000 0.856 137 R HN 0.216 nan 8.270 nan 0.000 0.437 138 I N 0.644 121.171 120.570 -0.070 0.000 2.202 138 I HA -0.237 3.932 4.170 -0.001 0.000 0.242 138 I C 2.301 178.323 176.117 -0.158 0.000 1.091 138 I CA 1.133 62.379 61.300 -0.089 0.000 1.368 138 I CB -0.251 37.713 38.000 -0.061 0.000 1.058 138 I HN 0.089 nan 8.210 nan 0.000 0.410 139 E N 1.209 121.320 120.200 -0.149 0.000 2.110 139 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 139 E C 2.042 178.572 176.600 -0.116 0.000 0.988 139 E CA 1.318 57.633 56.400 -0.141 0.000 0.804 139 E CB -0.151 29.472 29.700 -0.129 0.000 0.745 139 E HN 0.489 nan 8.360 nan 0.000 0.458 140 K N 0.301 120.644 120.400 -0.094 0.000 2.459 140 K HA 0.042 4.362 4.320 -0.001 0.000 0.193 140 K C 0.537 177.102 176.600 -0.059 0.000 1.030 140 K CA 0.124 56.370 56.287 -0.069 0.000 1.026 140 K CB -0.023 32.445 32.500 -0.055 0.000 0.809 140 K HN 0.146 nan 8.250 nan 0.000 0.504 141 N N 1.769 120.427 118.700 -0.070 0.000 2.725 141 N HA -0.191 4.548 4.740 -0.001 0.000 0.249 141 N C -0.958 174.550 175.510 -0.004 0.000 1.103 141 N CA 0.213 53.239 53.050 -0.040 0.000 0.707 141 N CB -0.608 37.855 38.487 -0.041 0.000 1.043 141 N HN 0.149 nan 8.380 nan 0.000 0.553 142 D N 1.372 121.766 120.400 -0.010 0.000 2.619 142 D HA 0.305 4.944 4.640 -0.001 0.000 0.224 142 D C -0.598 175.712 176.300 0.016 0.000 1.133 142 D CA 0.179 54.178 54.000 -0.001 0.000 1.017 142 D CB -0.120 40.672 40.800 -0.014 0.000 1.077 142 D HN 0.315 nan 8.370 nan 0.000 0.503 143 L N 1.378 122.624 121.223 0.038 0.000 2.408 143 L HA 0.649 4.988 4.340 -0.001 0.000 0.268 143 L C 0.251 177.152 176.870 0.052 0.000 0.986 143 L CA -1.372 53.504 54.840 0.060 0.000 0.820 143 L CB 1.977 44.112 42.059 0.126 0.000 1.303 143 L HN 0.119 nan 8.230 nan 0.000 0.411 144 A N 1.749 124.590 122.820 0.035 0.000 2.386 144 A HA 0.567 4.886 4.320 -0.001 0.000 0.248 144 A C 0.008 177.613 177.584 0.034 0.000 1.082 144 A CA -0.037 52.015 52.037 0.025 0.000 0.789 144 A CB 0.917 19.922 19.000 0.010 0.000 1.025 144 A HN 0.562 nan 8.150 nan 0.000 0.490 145 S N -0.073 115.645 115.700 0.031 0.000 2.594 145 S HA 0.746 5.215 4.470 -0.001 0.000 0.296 145 S C -0.164 174.449 174.600 0.022 0.000 1.124 145 S CA 0.233 58.454 58.200 0.035 0.000 1.011 145 S CB 1.012 64.240 63.200 0.048 0.000 1.016 145 S HN 1.912 nan 8.310 nan 0.000 0.485 146 G N 1.505 110.315 108.800 0.017 0.000 2.548 146 G HA2 0.514 4.473 3.960 -0.001 0.000 0.301 146 G HA3 0.514 4.473 3.960 -0.001 0.000 0.301 146 G C -1.897 173.008 174.900 0.009 0.000 1.349 146 G CA -0.426 44.680 45.100 0.010 0.000 0.792 146 G HN 0.763 nan 8.290 nan 0.000 0.481 147 V N 1.632 121.549 119.914 0.005 0.000 2.266 147 V HA 0.632 4.751 4.120 -0.001 0.000 0.271 147 V C 1.039 177.133 176.094 0.000 0.000 1.032 147 V CA 0.276 62.579 62.300 0.004 0.000 0.806 147 V CB 0.347 32.173 31.823 0.005 0.000 1.052 147 V HN 1.095 nan 8.190 nan 0.000 0.449 148 G N 3.271 112.070 108.800 -0.002 0.000 2.531 148 G HA2 0.728 4.688 3.960 -0.001 0.000 0.253 148 G HA3 0.728 4.688 3.960 -0.001 0.000 0.253 148 G C -0.083 174.814 174.900 -0.005 0.000 1.439 148 G CA 0.214 45.311 45.100 -0.006 0.000 1.056 148 G HN 0.898 nan 8.290 nan 0.000 0.555 149 S N -2.771 112.925 115.700 -0.007 0.000 2.565 149 S HA 0.619 5.089 4.470 -0.001 0.000 0.269 149 S C -1.518 173.078 174.600 -0.007 0.000 1.153 149 S CA -0.711 57.486 58.200 -0.006 0.000 0.835 149 S CB 1.862 65.059 63.200 -0.006 0.000 1.122 149 S HN 0.854 nan 8.310 nan 0.000 0.462 150 V N 0.658 120.568 119.914 -0.006 0.000 2.588 150 V HA 0.910 5.029 4.120 -0.001 0.000 0.304 150 V C 0.046 176.136 176.094 -0.007 0.000 1.042 150 V CA -0.083 62.213 62.300 -0.007 0.000 0.877 150 V CB 1.063 32.883 31.823 -0.005 0.000 0.996 150 V HN 1.277 nan 8.190 nan 0.000 0.425 151 E N 3.013 123.208 120.200 -0.008 0.000 2.222 151 E HA 0.677 5.026 4.350 -0.001 0.000 0.267 151 E C -0.745 175.851 176.600 -0.008 0.000 0.884 151 E CA -0.978 55.418 56.400 -0.007 0.000 0.764 151 E CB 1.646 31.342 29.700 -0.008 0.000 1.169 151 E HN 0.614 nan 8.360 nan 0.000 0.413 152 Q N 0.384 120.180 119.800 -0.007 0.000 2.288 152 Q HA 0.525 4.864 4.340 -0.001 0.000 0.254 152 Q C -0.485 175.512 176.000 -0.005 0.000 0.932 152 Q CA -0.490 55.309 55.803 -0.007 0.000 0.902 152 Q CB 1.634 30.369 28.738 -0.006 0.000 1.203 152 Q HN 0.419 nan 8.270 nan 0.000 0.415 153 V N 2.109 122.020 119.914 -0.005 0.000 2.577 153 V HA 0.124 4.243 4.120 -0.001 0.000 0.303 153 V C -0.732 175.365 176.094 0.005 0.000 1.042 153 V CA -0.902 61.398 62.300 0.000 0.000 0.872 153 V CB 2.114 33.935 31.823 -0.003 0.000 0.998 153 V HN 0.637 nan 8.190 nan 0.000 0.423 154 D N 3.520 123.928 120.400 0.013 0.000 2.479 154 D HA 0.307 4.947 4.640 -0.001 0.000 0.218 154 D C 0.396 176.722 176.300 0.042 0.000 1.131 154 D CA -0.135 53.876 54.000 0.017 0.000 0.916 154 D CB 1.168 41.975 40.800 0.011 0.000 1.022 154 D HN 0.426 nan 8.370 nan 0.000 0.515 155 I N 3.718 124.320 120.570 0.053 0.000 3.645 155 I HA 0.101 4.270 4.170 -0.001 0.000 0.300 155 I C 1.557 177.764 176.117 0.151 0.000 1.260 155 I CA 0.141 61.510 61.300 0.114 0.000 1.365 155 I CB 0.097 38.165 38.000 0.113 0.000 1.077 155 I HN 0.394 nan 8.210 nan 0.000 0.439 156 L N 1.950 123.226 121.223 0.087 0.000 2.042 156 L HA -0.077 4.262 4.340 -0.001 0.000 0.210 156 L C -0.600 176.384 176.870 0.190 0.000 1.076 156 L CA 2.348 57.255 54.840 0.110 0.000 0.749 156 L CB -1.619 40.471 42.059 0.051 0.000 0.893 156 L HN 0.149 nan 8.230 nan 0.000 0.432 157 P HA -0.174 nan 4.420 nan 0.000 0.218 157 P C 1.635 179.049 177.300 0.190 0.000 1.148 157 P CA 2.324 65.482 63.100 0.096 0.000 0.822 157 P CB -0.194 31.520 31.700 0.023 0.000 0.784 158 R N -0.760 119.868 120.500 0.214 0.000 2.075 158 R HA -0.184 4.155 4.340 -0.001 0.000 0.232 158 R C 2.282 178.742 176.300 0.268 0.000 1.126 158 R CA 1.919 58.176 56.100 0.263 0.000 0.963 158 R CB -2.460 28.028 30.300 0.313 0.000 0.858 158 R HN 0.284 nan 8.270 nan 0.000 0.435 159 Y N -0.190 120.125 120.300 0.025 0.000 2.145 159 Y HA -0.146 4.403 4.550 -0.001 0.000 0.286 159 Y C 2.123 178.026 175.900 0.005 0.000 1.145 159 Y CA 2.005 59.919 58.100 -0.310 0.000 1.148 159 Y CB -0.499 37.752 38.460 -0.348 0.000 0.981 159 Y HN 0.281 nan 8.280 nan 0.000 0.507 160 F N 1.302 121.303 119.950 0.085 0.000 2.091 160 F HA -0.240 4.286 4.527 -0.001 0.000 0.299 160 F C 2.534 178.320 175.800 -0.022 0.000 1.103 160 F CA 2.488 60.502 58.000 0.023 0.000 1.228 160 F CB -0.529 38.519 39.000 0.080 0.000 0.984 160 F HN 0.019 nan 8.300 nan 0.000 0.477 161 K N -0.224 120.383 120.400 0.345 0.000 2.097 161 K HA -0.245 4.075 4.320 -0.001 0.000 0.205 161 K C 2.226 178.898 176.600 0.120 0.000 1.050 161 K CA 1.403 57.831 56.287 0.236 0.000 0.938 161 K CB -0.250 32.372 32.500 0.204 0.000 0.718 161 K HN 0.358 nan 8.250 nan 0.000 0.442 162 Q N 1.023 120.892 119.800 0.115 0.000 2.061 162 Q HA -0.155 4.184 4.340 -0.001 0.000 0.204 162 Q C 1.801 177.853 176.000 0.086 0.000 0.984 162 Q CA 2.025 57.915 55.803 0.145 0.000 0.846 162 Q CB -0.088 28.788 28.738 0.230 0.000 0.902 162 Q HN 0.403 nan 8.270 nan 0.000 0.421 163 I N -0.327 120.208 120.570 -0.059 0.000 2.233 163 I HA -0.217 3.952 4.170 -0.001 0.000 0.243 163 I C 2.692 178.724 176.117 -0.141 0.000 1.093 163 I CA 1.181 62.399 61.300 -0.137 0.000 1.380 163 I CB -0.427 37.368 38.000 -0.341 0.000 1.067 163 I HN 0.246 nan 8.210 nan 0.000 0.413 164 R N 1.091 121.490 120.500 -0.168 0.000 2.091 164 R HA -0.211 4.128 4.340 -0.001 0.000 0.238 164 R C 1.407 177.675 176.300 -0.054 0.000 1.136 164 R CA 2.016 58.033 56.100 -0.139 0.000 0.959 164 R CB -0.146 30.097 30.300 -0.094 0.000 0.856 164 R HN 0.301 nan 8.270 nan 0.000 0.437 165 D N -0.467 119.930 120.400 -0.005 0.000 2.355 165 D HA -0.069 4.571 4.640 -0.001 0.000 0.218 165 D C 0.590 176.894 176.300 0.006 0.000 1.004 165 D CA 0.871 54.880 54.000 0.015 0.000 0.880 165 D CB 0.096 40.923 40.800 0.045 0.000 0.911 165 D HN 0.294 nan 8.370 nan 0.000 0.528 166 D N -0.757 119.641 120.400 -0.004 0.000 2.398 166 D HA 0.058 4.698 4.640 -0.001 0.000 0.210 166 D C -0.098 176.168 176.300 -0.058 0.000 1.094 166 D CA -0.038 53.956 54.000 -0.009 0.000 0.839 166 D CB 0.640 41.458 40.800 0.031 0.000 0.963 166 D HN -0.085 nan 8.370 nan 0.000 0.506 167 I N 1.614 122.129 120.570 -0.091 0.000 2.359 167 I HA 0.500 4.669 4.170 -0.001 0.000 0.294 167 I C -0.220 175.841 176.117 -0.094 0.000 0.987 167 I CA -0.774 60.446 61.300 -0.133 0.000 1.225 167 I CB 1.284 39.166 38.000 -0.196 0.000 1.366 167 I HN -0.088 nan 8.210 nan 0.000 0.466 168 A N 7.980 130.749 122.820 -0.085 0.000 2.763 168 A HA 0.571 4.890 4.320 -0.001 0.000 0.325 168 A C -0.123 177.427 177.584 -0.057 0.000 1.209 168 A CA -0.602 51.400 52.037 -0.059 0.000 0.764 168 A CB 0.445 19.418 19.000 -0.044 0.000 1.120 168 A HN 0.719 nan 8.150 nan 0.000 0.463 169 M N 1.488 121.054 119.600 -0.057 0.000 2.238 169 M HA 0.236 4.715 4.480 -0.001 0.000 0.347 169 M C 1.316 177.596 176.300 -0.035 0.000 1.173 169 M CA 0.210 55.481 55.300 -0.047 0.000 1.147 169 M CB 1.342 33.914 32.600 -0.046 0.000 1.547 169 M HN 0.712 nan 8.290 nan 0.000 0.455 170 A N 3.551 126.352 122.820 -0.031 0.000 2.220 170 A HA 0.116 4.435 4.320 -0.001 0.000 0.211 170 A C 0.431 178.002 177.584 -0.021 0.000 1.176 170 A CA 0.610 52.632 52.037 -0.025 0.000 0.834 170 A CB 0.191 19.175 19.000 -0.026 0.000 0.868 170 A HN 0.830 nan 8.150 nan 0.000 0.488 171 K N -0.912 119.475 120.400 -0.021 0.000 2.579 171 K HA 0.518 4.837 4.320 -0.001 0.000 0.284 171 K C -3.555 173.036 176.600 -0.016 0.000 0.990 171 K CA -1.702 54.574 56.287 -0.017 0.000 0.880 171 K CB 1.405 33.895 32.500 -0.017 0.000 1.488 171 K HN -0.147 nan 8.250 nan 0.000 0.425 172 P HA 0.233 nan 4.420 nan 0.000 0.275 172 P C -1.025 176.270 177.300 -0.008 0.000 1.228 172 P CA -0.235 62.859 63.100 -0.010 0.000 0.786 172 P CB 0.660 32.356 31.700 -0.006 0.000 0.927 173 M N 1.271 120.866 119.600 -0.007 0.000 2.572 173 M HA 0.409 4.889 4.480 -0.001 0.000 0.299 173 M C -0.051 176.249 176.300 -0.001 0.000 1.205 173 M CA -0.818 54.479 55.300 -0.004 0.000 0.876 173 M CB 3.150 35.747 32.600 -0.004 0.000 1.728 173 M HN 0.171 nan 8.290 nan 0.000 0.458 174 K N 1.835 122.235 120.400 0.000 0.000 2.265 174 K HA 0.690 5.009 4.320 -0.001 0.000 0.267 174 K C -1.843 174.757 176.600 0.000 0.000 0.994 174 K CA -0.479 55.809 56.287 0.001 0.000 0.860 174 K CB 1.209 33.709 32.500 -0.001 0.000 1.099 174 K HN 0.537 nan 8.250 nan 0.000 0.448 175 V N 4.557 124.472 119.914 0.002 0.000 2.577 175 V HA 0.301 4.420 4.120 -0.001 0.000 0.303 175 V C -0.557 175.537 176.094 -0.001 0.000 1.042 175 V CA -1.101 61.200 62.300 0.001 0.000 0.872 175 V CB 1.789 33.618 31.823 0.010 0.000 0.998 175 V HN 0.519 nan 8.190 nan 0.000 0.423 176 V N 5.134 125.040 119.914 -0.013 0.000 2.498 176 V HA 0.412 4.531 4.120 -0.001 0.000 0.279 176 V C -0.037 176.050 176.094 -0.012 0.000 1.048 176 V CA -0.338 61.951 62.300 -0.018 0.000 0.967 176 V CB 1.581 33.384 31.823 -0.033 0.000 0.988 176 V HN 0.614 nan 8.190 nan 0.000 0.473 177 V N 4.060 123.983 119.914 0.014 0.000 2.407 177 V HA 0.378 4.497 4.120 -0.001 0.000 0.291 177 V C -0.458 175.681 176.094 0.074 0.000 1.018 177 V CA -0.527 61.810 62.300 0.062 0.000 0.842 177 V CB 1.783 33.694 31.823 0.146 0.000 0.996 177 V HN 0.904 nan 8.190 nan 0.000 0.426 178 D N 3.577 124.021 120.400 0.073 0.000 2.427 178 D HA 0.254 4.894 4.640 -0.001 0.000 0.226 178 D C 0.489 176.939 176.300 0.249 0.000 1.076 178 D CA -0.255 53.834 54.000 0.148 0.000 0.849 178 D CB 1.709 42.609 40.800 0.167 0.000 1.052 178 D HN 0.546 nan 8.370 nan 0.000 0.515 179 C N 2.286 121.754 119.300 0.280 0.000 2.696 179 C HA 0.312 4.772 4.460 -0.001 0.000 0.264 179 C C 1.732 176.872 174.990 0.249 0.000 1.288 179 C CA 0.226 59.426 59.018 0.304 0.000 1.717 179 C CB -0.956 26.922 27.740 0.229 0.000 1.893 179 C HN 0.900 nan 8.230 nan 0.000 0.577 180 G N 2.090 111.033 108.800 0.238 0.000 2.225 180 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.267 180 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.267 180 G C 0.251 175.210 174.900 0.098 0.000 1.024 180 G CA 0.767 45.889 45.100 0.036 0.000 0.784 180 G HN 0.728 nan 8.290 nan 0.000 0.507 181 N N -2.226 116.580 118.700 0.177 0.000 2.753 181 N HA -0.193 4.546 4.740 -0.001 0.000 0.251 181 N C 1.301 176.978 175.510 0.279 0.000 1.097 181 N CA 1.296 54.462 53.050 0.193 0.000 0.786 181 N CB -0.956 37.615 38.487 0.140 0.000 1.137 181 N HN 1.328 nan 8.380 nan 0.000 0.566 182 G N -0.617 108.367 108.800 0.307 0.000 2.525 182 G HA2 0.385 4.345 3.960 -0.001 0.000 0.287 182 G HA3 0.385 4.345 3.960 -0.001 0.000 0.287 182 G C 0.894 175.880 174.900 0.145 0.000 1.350 182 G CA -0.079 45.205 45.100 0.307 0.000 1.039 182 G HN 0.119 nan 8.290 nan 0.000 0.513 183 V N 0.403 120.374 119.914 0.095 0.000 3.141 183 V HA 0.076 4.195 4.120 -0.001 0.000 0.265 183 V C 2.760 178.847 176.094 -0.013 0.000 1.126 183 V CA 1.932 64.246 62.300 0.023 0.000 1.141 183 V CB -0.589 31.230 31.823 -0.006 0.000 0.743 183 V HN 0.790 nan 8.190 nan 0.000 0.492 184 A N 0.080 122.891 122.820 -0.015 0.000 2.125 184 A HA -0.013 4.307 4.320 -0.001 0.000 0.219 184 A C 2.211 179.755 177.584 -0.066 0.000 1.156 184 A CA 1.379 53.346 52.037 -0.117 0.000 0.671 184 A CB -0.888 17.967 19.000 -0.241 0.000 0.794 184 A HN 0.639 nan 8.150 nan 0.000 0.459 185 G N -0.217 108.592 108.800 0.014 0.000 2.625 185 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.214 185 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.214 185 G C 1.344 176.258 174.900 0.022 0.000 1.132 185 G CA 1.151 46.272 45.100 0.035 0.000 0.782 185 G HN 0.983 nan 8.290 nan 0.000 0.538 186 V N -2.372 117.545 119.914 0.004 0.000 3.217 186 V HA 0.339 4.459 4.120 -0.001 0.000 0.264 186 V C 1.780 177.899 176.094 0.042 0.000 1.135 186 V CA 1.589 63.895 62.300 0.010 0.000 1.142 186 V CB -0.008 31.808 31.823 -0.011 0.000 0.754 186 V HN 0.341 nan 8.190 nan 0.000 0.484 187 I N -1.800 118.796 120.570 0.044 0.000 5.007 187 I HA 0.412 4.581 4.170 -0.001 0.000 0.323 187 I C 2.218 178.381 176.117 0.077 0.000 1.195 187 I CA 0.873 62.245 61.300 0.121 0.000 1.407 187 I CB 0.026 38.119 38.000 0.155 0.000 1.544 187 I HN 0.070 nan 8.210 nan 0.000 0.505 188 A N 2.447 125.243 122.820 -0.041 0.000 1.865 188 A HA -0.066 4.254 4.320 -0.001 0.000 0.217 188 A C -0.414 177.192 177.584 0.038 0.000 1.191 188 A CA 2.325 54.311 52.037 -0.085 0.000 0.623 188 A CB -2.116 16.689 19.000 -0.325 0.000 0.826 188 A HN 0.381 nan 8.150 nan 0.000 0.444 189 P HA -0.143 nan 4.420 nan 0.000 0.216 189 P C 1.249 178.604 177.300 0.092 0.000 1.153 189 P CA 1.538 64.689 63.100 0.086 0.000 0.848 189 P CB -0.116 31.631 31.700 0.078 0.000 0.787 190 Q N -0.891 118.988 119.800 0.133 0.000 2.046 190 Q HA -0.117 4.223 4.340 -0.001 0.000 0.200 190 Q C 2.111 178.270 176.000 0.265 0.000 0.975 190 Q CA 1.091 57.027 55.803 0.221 0.000 0.836 190 Q CB -1.273 27.636 28.738 0.285 0.000 0.896 190 Q HN 0.157 nan 8.270 nan 0.000 0.428 191 L N 0.133 121.428 121.223 0.120 0.000 2.027 191 L HA -0.058 4.281 4.340 -0.001 0.000 0.206 191 L C 1.855 178.614 176.870 -0.185 0.000 1.074 191 L CA 1.541 56.183 54.840 -0.330 0.000 0.745 191 L CB -0.366 41.415 42.059 -0.464 0.000 0.898 191 L HN 0.236 nan 8.230 nan 0.000 0.433 192 I N -0.308 120.223 120.570 -0.066 0.000 2.226 192 I HA -0.298 3.871 4.170 -0.001 0.000 0.245 192 I C 2.547 178.655 176.117 -0.014 0.000 1.100 192 I CA 1.668 62.946 61.300 -0.036 0.000 1.374 192 I CB -0.417 37.598 38.000 0.024 0.000 1.057 192 I HN 0.459 nan 8.210 nan 0.000 0.413 193 E N 1.408 121.622 120.200 0.023 0.000 2.085 193 E HA -0.268 4.081 4.350 -0.001 0.000 0.194 193 E C 2.249 178.870 176.600 0.036 0.000 0.994 193 E CA 1.442 57.864 56.400 0.036 0.000 0.801 193 E CB -0.063 29.674 29.700 0.060 0.000 0.743 193 E HN 0.495 nan 8.360 nan 0.000 0.453 194 A N 0.892 123.746 122.820 0.056 0.000 2.070 194 A HA -0.098 4.221 4.320 -0.001 0.000 0.220 194 A C 2.129 179.709 177.584 -0.007 0.000 1.159 194 A CA 0.781 52.860 52.037 0.070 0.000 0.656 194 A CB -0.493 18.620 19.000 0.189 0.000 0.800 194 A HN 0.320 nan 8.150 nan 0.000 0.453 195 L N -1.578 119.609 121.223 -0.060 0.000 2.275 195 L HA 0.051 4.390 4.340 -0.001 0.000 0.215 195 L C 1.569 178.416 176.870 -0.038 0.000 1.119 195 L CA 0.851 55.648 54.840 -0.072 0.000 0.790 195 L CB -0.381 41.618 42.059 -0.100 0.000 0.919 195 L HN 0.605 nan 8.230 nan 0.000 0.443 196 G N -1.092 107.697 108.800 -0.018 0.000 2.247 196 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.111 196 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.111 196 G C -0.272 174.624 174.900 -0.007 0.000 1.045 196 G CA -0.514 44.580 45.100 -0.009 0.000 0.715 196 G HN 0.200 nan 8.290 nan 0.000 0.485 197 C N 0.284 119.583 119.300 -0.003 0.000 2.470 197 C HA 0.857 5.316 4.460 -0.001 0.000 0.341 197 C C 0.932 175.927 174.990 0.008 0.000 1.190 197 C CA -0.452 58.566 59.018 0.001 0.000 1.904 197 C CB 1.714 29.454 27.740 0.001 0.000 2.354 197 C HN 0.565 nan 8.230 nan 0.000 0.509 198 S N 0.852 116.556 115.700 0.007 0.000 2.499 198 S HA 0.559 5.028 4.470 -0.001 0.000 0.279 198 S C -0.496 174.111 174.600 0.012 0.000 1.219 198 S CA -0.409 57.797 58.200 0.010 0.000 1.062 198 S CB 0.887 64.090 63.200 0.006 0.000 0.978 198 S HN 0.494 nan 8.310 nan 0.000 0.489 199 V N 4.612 124.536 119.914 0.017 0.000 2.448 199 V HA 0.431 4.551 4.120 -0.001 0.000 0.295 199 V C -0.430 175.671 176.094 0.012 0.000 1.025 199 V CA -0.611 61.700 62.300 0.020 0.000 0.859 199 V CB 1.474 33.318 31.823 0.035 0.000 0.988 199 V HN 0.770 nan 8.190 nan 0.000 0.431 200 I N 8.081 128.653 120.570 0.003 0.000 2.291 200 I HA 0.336 4.506 4.170 -0.001 0.000 0.290 200 I C -2.146 173.960 176.117 -0.017 0.000 1.050 200 I CA -1.682 59.612 61.300 -0.011 0.000 1.245 200 I CB 1.689 39.676 38.000 -0.021 0.000 1.405 200 I HN 0.432 nan 8.210 nan 0.000 0.478 201 P HA 0.287 nan 4.420 nan 0.000 0.284 201 P C -0.968 176.275 177.300 -0.096 0.000 1.253 201 P CA -0.313 62.773 63.100 -0.022 0.000 0.800 201 P CB 1.655 33.354 31.700 -0.002 0.000 0.961 202 L N 4.812 125.957 121.223 -0.130 0.000 2.372 202 L HA 0.298 4.638 4.340 -0.001 0.000 0.274 202 L C -0.385 176.322 176.870 -0.271 0.000 0.988 202 L CA -0.895 53.713 54.840 -0.386 0.000 0.833 202 L CB 0.875 42.699 42.059 -0.392 0.000 1.236 202 L HN 0.367 nan 8.230 nan 0.000 0.410 203 Y N 1.338 121.661 120.300 0.038 0.000 3.389 203 Y HA -0.269 4.281 4.550 -0.001 0.000 0.213 203 Y C 1.188 177.112 175.900 0.040 0.000 1.272 203 Y CA 0.046 58.157 58.100 0.018 0.000 1.444 203 Y CB -2.695 35.744 38.460 -0.036 0.000 1.445 203 Y HN 0.552 nan 8.280 nan 0.000 0.583 204 C N -0.397 118.977 119.300 0.124 0.000 2.791 204 C HA 0.106 4.565 4.460 -0.001 0.000 0.270 204 C C 1.142 176.181 174.990 0.080 0.000 1.257 204 C CA -0.335 58.745 59.018 0.103 0.000 1.699 204 C CB -0.417 27.368 27.740 0.075 0.000 1.904 204 C HN 0.341 nan 8.230 nan 0.000 0.603 205 E N 1.606 121.853 120.200 0.079 0.000 2.290 205 E HA 0.155 4.504 4.350 -0.001 0.000 0.277 205 E C -0.305 176.320 176.600 0.042 0.000 1.035 205 E CA 0.174 56.604 56.400 0.049 0.000 0.873 205 E CB 1.303 31.027 29.700 0.040 0.000 1.029 205 E HN 0.122 nan 8.360 nan 0.000 0.419 206 V N 4.053 123.978 119.914 0.018 0.000 2.446 206 V HA -0.013 4.106 4.120 -0.001 0.000 0.276 206 V C 0.310 176.371 176.094 -0.056 0.000 1.030 206 V CA 0.416 62.714 62.300 -0.004 0.000 1.033 206 V CB 0.414 32.229 31.823 -0.013 0.000 0.993 206 V HN 0.523 nan 8.190 nan 0.000 0.477 207 D N 3.861 124.192 120.400 -0.115 0.000 2.478 207 D HA 0.306 4.945 4.640 -0.001 0.000 0.240 207 D C 0.953 176.965 176.300 -0.480 0.000 1.364 207 D CA -0.078 53.801 54.000 -0.201 0.000 0.987 207 D CB 1.731 42.456 40.800 -0.125 0.000 1.328 207 D HN 0.480 nan 8.370 nan 0.000 0.584 208 G N 2.789 111.295 108.800 -0.490 0.000 2.535 208 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.218 208 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.218 208 G C 1.143 175.578 174.900 -0.775 0.000 1.122 208 G CA 0.133 44.781 45.100 -0.753 0.000 0.769 208 G HN 0.480 nan 8.290 nan 0.000 0.549 209 N N 0.529 118.949 118.700 -0.467 0.000 2.494 209 N HA -0.041 4.699 4.740 -0.001 0.000 0.182 209 N C -0.015 175.409 175.510 -0.142 0.000 1.076 209 N CA 0.163 53.067 53.050 -0.243 0.000 0.908 209 N CB -0.098 38.314 38.487 -0.126 0.000 0.967 209 N HN 0.230 nan 8.380 nan 0.000 0.449 210 F N 0.084 120.004 119.950 -0.050 0.000 2.738 210 F HA -0.151 4.375 4.527 -0.001 0.000 0.232 210 F C -1.356 174.380 175.800 -0.108 0.000 1.025 210 F CA -0.338 57.611 58.000 -0.086 0.000 0.895 210 F CB -1.570 37.390 39.000 -0.067 0.000 0.839 210 F HN 0.195 nan 8.300 nan 0.000 0.850 211 P HA -0.069 nan 4.420 nan 0.000 0.231 211 P C 0.651 177.896 177.300 -0.092 0.000 1.168 211 P CA 1.055 64.135 63.100 -0.034 0.000 0.779 211 P CB 0.495 32.170 31.700 -0.042 0.000 0.844 212 N N 0.018 118.593 118.700 -0.208 0.000 2.718 212 N HA 0.087 4.826 4.740 -0.001 0.000 0.298 212 N C 0.383 175.717 175.510 -0.293 0.000 1.369 212 N CA -0.301 52.518 53.050 -0.384 0.000 0.839 212 N CB -0.658 37.255 38.487 -0.957 0.000 1.108 212 N HN 0.208 nan 8.380 nan 0.000 0.489 213 H N -1.957 116.939 119.070 -0.289 0.000 2.607 213 H HA 0.359 4.914 4.556 -0.001 0.000 0.367 213 H C 0.617 175.871 175.328 -0.122 0.000 1.181 213 H CA -0.332 55.625 56.048 -0.151 0.000 1.402 213 H CB -0.734 28.957 29.762 -0.118 0.000 1.474 213 H HN 0.561 nan 8.280 nan 0.000 0.596 214 H N 1.020 120.117 119.070 0.046 0.000 2.790 214 H HA 0.214 4.769 4.556 -0.001 0.000 0.358 214 H C -2.231 173.098 175.328 0.002 0.000 1.103 214 H CA -1.934 54.058 56.048 -0.092 0.000 1.426 214 H CB -0.329 29.372 29.762 -0.102 0.000 1.424 214 H HN 0.848 nan 8.280 nan 0.000 0.599 215 P HA 0.193 nan 4.420 nan 0.000 0.231 215 P C -1.132 176.147 177.300 -0.036 0.000 1.811 215 P CA 0.127 63.192 63.100 -0.058 0.000 1.051 215 P CB -0.140 31.463 31.700 -0.162 0.000 1.951 216 D N 3.460 123.847 120.400 -0.022 0.000 2.363 216 D HA 0.171 4.810 4.640 -0.001 0.000 0.258 216 D C -1.747 174.479 176.300 -0.123 0.000 1.259 216 D CA -2.227 51.700 54.000 -0.122 0.000 0.921 216 D CB 1.286 41.975 40.800 -0.184 0.000 1.201 216 D HN 0.068 nan 8.370 nan 0.000 0.524 217 P HA 0.075 nan 4.420 nan 0.000 0.242 217 P C 1.255 178.476 177.300 -0.132 0.000 1.197 217 P CA 0.229 63.250 63.100 -0.132 0.000 0.765 217 P CB 0.285 31.904 31.700 -0.134 0.000 0.936 218 G N -0.337 108.391 108.800 -0.121 0.000 2.650 218 G HA2 0.015 3.974 3.960 -0.001 0.000 0.214 218 G HA3 0.015 3.974 3.960 -0.001 0.000 0.214 218 G C 0.796 175.688 174.900 -0.013 0.000 1.136 218 G CA 0.186 45.253 45.100 -0.056 0.000 0.789 218 G HN 0.503 nan 8.290 nan 0.000 0.536 219 K N 0.990 121.352 120.400 -0.064 0.000 2.213 219 K HA 0.616 4.935 4.320 -0.001 0.000 0.270 219 K C -1.542 175.024 176.600 -0.057 0.000 1.002 219 K CA -1.757 54.504 56.287 -0.043 0.000 0.868 219 K CB 1.166 33.627 32.500 -0.064 0.000 1.093 219 K HN -0.072 nan 8.250 nan 0.000 0.454 220 P HA -0.287 nan 4.420 nan 0.000 0.217 220 P C 1.132 178.385 177.300 -0.079 0.000 1.148 220 P CA 1.522 64.595 63.100 -0.044 0.000 0.828 220 P CB 0.391 32.096 31.700 0.009 0.000 0.783 221 E N -0.617 119.542 120.200 -0.068 0.000 2.204 221 E HA -0.171 4.178 4.350 -0.001 0.000 0.195 221 E C 0.979 177.496 176.600 -0.138 0.000 0.990 221 E CA 1.104 57.460 56.400 -0.074 0.000 0.821 221 E CB -1.101 28.573 29.700 -0.045 0.000 0.750 221 E HN 0.268 nan 8.360 nan 0.000 0.477 222 N N 0.514 119.094 118.700 -0.200 0.000 2.461 222 N HA 0.094 4.833 4.740 -0.001 0.000 0.188 222 N C 1.298 176.491 175.510 -0.527 0.000 1.134 222 N CA 0.359 53.151 53.050 -0.430 0.000 0.878 222 N CB 0.323 38.622 38.487 -0.313 0.000 0.972 222 N HN 0.298 nan 8.380 nan 0.000 0.456 223 L N -0.228 120.824 121.223 -0.284 0.000 2.693 223 L HA 0.175 4.514 4.340 -0.001 0.000 0.235 223 L C 2.320 179.107 176.870 -0.140 0.000 1.127 223 L CA 0.029 54.741 54.840 -0.214 0.000 0.914 223 L CB -0.119 41.827 42.059 -0.189 0.000 1.193 223 L HN 0.003 nan 8.230 nan 0.000 0.502 224 K N 0.381 120.709 120.400 -0.119 0.000 2.032 224 K HA -0.224 4.096 4.320 -0.001 0.000 0.209 224 K C 1.580 178.169 176.600 -0.019 0.000 1.048 224 K CA 2.237 58.490 56.287 -0.056 0.000 0.927 224 K CB -0.737 31.742 32.500 -0.035 0.000 0.712 224 K HN 0.220 nan 8.250 nan 0.000 0.441 225 D N 0.040 120.453 120.400 0.022 0.000 2.144 225 D HA -0.085 4.554 4.640 -0.001 0.000 0.200 225 D C 1.926 178.245 176.300 0.032 0.000 0.978 225 D CA 1.247 55.298 54.000 0.085 0.000 0.833 225 D CB -0.256 40.705 40.800 0.268 0.000 0.961 225 D HN 0.286 nan 8.370 nan 0.000 0.470 226 L N 0.773 122.001 121.223 0.008 0.000 2.017 226 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 226 L C 2.116 178.959 176.870 -0.044 0.000 1.073 226 L CA 1.390 56.214 54.840 -0.027 0.000 0.745 226 L CB -0.488 41.540 42.059 -0.052 0.000 0.894 226 L HN -0.030 nan 8.230 nan 0.000 0.432 227 I N -0.308 120.230 120.570 -0.053 0.000 2.226 227 I HA -0.309 3.861 4.170 -0.001 0.000 0.245 227 I C 2.598 178.695 176.117 -0.033 0.000 1.100 227 I CA 1.254 62.522 61.300 -0.052 0.000 1.374 227 I CB -0.643 37.321 38.000 -0.060 0.000 1.057 227 I HN 0.388 nan 8.210 nan 0.000 0.413 228 A N 0.513 123.320 122.820 -0.022 0.000 1.902 228 A HA -0.266 4.053 4.320 -0.001 0.000 0.217 228 A C 2.271 179.847 177.584 -0.014 0.000 1.181 228 A CA 2.040 54.070 52.037 -0.012 0.000 0.623 228 A CB -0.425 18.575 19.000 0.000 0.000 0.818 228 A HN 0.263 nan 8.150 nan 0.000 0.443 229 K N -0.330 120.059 120.400 -0.020 0.000 2.103 229 K HA 0.013 4.333 4.320 -0.001 0.000 0.204 229 K C 1.678 178.263 176.600 -0.025 0.000 1.052 229 K CA 1.444 57.715 56.287 -0.026 0.000 0.945 229 K CB -0.563 31.912 32.500 -0.041 0.000 0.722 229 K HN 0.156 nan 8.250 nan 0.000 0.443 230 V N 1.422 121.319 119.914 -0.028 0.000 2.287 230 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 230 V C 2.119 178.203 176.094 -0.018 0.000 1.053 230 V CA 2.049 64.334 62.300 -0.025 0.000 1.027 230 V CB -0.368 31.435 31.823 -0.033 0.000 0.646 230 V HN 0.356 nan 8.190 nan 0.000 0.447 231 K N 0.007 120.397 120.400 -0.017 0.000 2.025 231 K HA -0.105 4.214 4.320 -0.001 0.000 0.207 231 K C 2.310 178.904 176.600 -0.009 0.000 1.049 231 K CA 1.452 57.732 56.287 -0.011 0.000 0.933 231 K CB -0.440 32.053 32.500 -0.012 0.000 0.714 231 K HN 0.466 nan 8.250 nan 0.000 0.438 232 A N 1.597 124.411 122.820 -0.010 0.000 1.933 232 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 232 A C 1.608 179.187 177.584 -0.008 0.000 1.175 232 A CA 1.461 53.494 52.037 -0.008 0.000 0.628 232 A CB -0.115 18.880 19.000 -0.008 0.000 0.814 232 A HN 0.170 nan 8.150 nan 0.000 0.444 233 E N -0.546 119.647 120.200 -0.010 0.000 2.463 233 E HA 0.009 4.358 4.350 -0.001 0.000 0.193 233 E C -0.046 176.550 176.600 -0.007 0.000 1.041 233 E CA -0.091 56.303 56.400 -0.009 0.000 0.879 233 E CB -0.523 29.169 29.700 -0.013 0.000 0.997 233 E HN 0.694 nan 8.360 nan 0.000 0.478 234 N N 0.871 119.567 118.700 -0.005 0.000 2.727 234 N HA -0.215 4.524 4.740 -0.001 0.000 0.249 234 N C -0.352 175.157 175.510 -0.002 0.000 1.048 234 N CA 0.195 53.243 53.050 -0.003 0.000 0.714 234 N CB -0.465 38.021 38.487 -0.001 0.000 0.959 234 N HN 0.161 nan 8.380 nan 0.000 0.544 235 A N 0.166 122.983 122.820 -0.005 0.000 2.332 235 A HA 0.204 4.523 4.320 -0.001 0.000 0.258 235 A C 0.985 178.569 177.584 0.000 0.000 1.087 235 A CA -0.099 51.935 52.037 -0.005 0.000 0.802 235 A CB 0.361 19.355 19.000 -0.011 0.000 1.042 235 A HN 0.431 nan 8.150 nan 0.000 0.489 236 D N -0.869 119.533 120.400 0.003 0.000 2.277 236 D HA 0.172 4.811 4.640 -0.001 0.000 0.208 236 D C -0.173 176.136 176.300 0.015 0.000 0.962 236 D CA 1.153 55.159 54.000 0.011 0.000 0.865 236 D CB 0.108 40.914 40.800 0.009 0.000 0.939 236 D HN 0.269 nan 8.370 nan 0.000 0.510 237 L N -1.007 120.217 121.223 0.003 0.000 2.672 237 L HA 0.495 4.834 4.340 -0.001 0.000 0.256 237 L C -1.255 175.598 176.870 -0.028 0.000 0.946 237 L CA -0.567 54.271 54.840 -0.004 0.000 0.889 237 L CB 2.048 44.112 42.059 0.009 0.000 1.441 237 L HN -0.103 nan 8.230 nan 0.000 0.418 238 G N 2.993 111.760 108.800 -0.056 0.000 2.452 238 G HA2 0.716 4.675 3.960 -0.001 0.000 0.324 238 G HA3 0.716 4.675 3.960 -0.001 0.000 0.324 238 G C -1.825 173.000 174.900 -0.126 0.000 1.214 238 G CA -0.532 44.521 45.100 -0.080 0.000 0.947 238 G HN 0.576 nan 8.290 nan 0.000 0.478 239 L N 0.918 122.049 121.223 -0.153 0.000 2.381 239 L HA 0.797 5.137 4.340 -0.001 0.000 0.268 239 L C 0.087 176.730 176.870 -0.377 0.000 0.997 239 L CA -0.987 53.676 54.840 -0.295 0.000 0.818 239 L CB 2.412 44.293 42.059 -0.296 0.000 1.310 239 L HN 0.670 nan 8.230 nan 0.000 0.416 240 A N 2.356 124.869 122.820 -0.512 0.000 2.414 240 A HA 0.884 5.203 4.320 -0.001 0.000 0.306 240 A C -1.447 175.779 177.584 -0.598 0.000 1.054 240 A CA -0.330 51.474 52.037 -0.388 0.000 0.724 240 A CB 1.065 19.951 19.000 -0.191 0.000 1.267 240 A HN 0.445 nan 8.150 nan 0.000 0.418 241 F N 1.357 121.330 119.950 0.039 0.000 2.507 241 F HA 0.438 4.965 4.527 -0.001 0.000 0.327 241 F C 0.708 176.520 175.800 0.020 0.000 1.068 241 F CA -0.681 57.334 58.000 0.026 0.000 0.965 241 F CB 1.557 40.581 39.000 0.040 0.000 1.192 241 F HN 0.733 nan 8.300 nan 0.000 0.476 242 D N 0.495 121.005 120.400 0.183 0.000 2.414 242 D HA 0.144 4.784 4.640 -0.001 0.000 0.251 242 D C 1.373 177.733 176.300 0.099 0.000 1.252 242 D CA -0.207 53.848 54.000 0.092 0.000 0.999 242 D CB 0.499 41.322 40.800 0.039 0.000 1.093 242 D HN 0.612 nan 8.370 nan 0.000 0.515 243 G N -0.430 108.391 108.800 0.034 0.000 2.450 243 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.220 243 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.220 243 G C 0.893 175.837 174.900 0.072 0.000 1.130 243 G CA 1.262 46.381 45.100 0.032 0.000 0.760 243 G HN 0.740 nan 8.290 nan 0.000 0.557 244 D N -1.416 119.009 120.400 0.042 0.000 2.433 244 D HA 0.203 4.842 4.640 -0.001 0.000 0.211 244 D C 1.581 177.869 176.300 -0.020 0.000 1.114 244 D CA 0.617 54.617 54.000 0.001 0.000 0.837 244 D CB -0.333 40.451 40.800 -0.026 0.000 0.984 244 D HN 0.494 nan 8.370 nan 0.000 0.505 245 G N 2.304 111.120 108.800 0.026 0.000 2.159 245 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.256 245 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.256 245 G C 0.478 175.422 174.900 0.073 0.000 0.977 245 G CA 0.548 45.657 45.100 0.015 0.000 0.652 245 G HN 0.519 nan 8.290 nan 0.000 0.531 246 D N -0.594 119.851 120.400 0.075 0.000 2.349 246 D HA 0.180 4.819 4.640 -0.001 0.000 0.214 246 D C 1.034 177.355 176.300 0.035 0.000 1.063 246 D CA 0.127 54.202 54.000 0.125 0.000 0.847 246 D CB 0.206 41.123 40.800 0.195 0.000 0.933 246 D HN 0.556 nan 8.370 nan 0.000 0.513 247 R N -0.333 120.160 120.500 -0.012 0.000 2.750 247 R HA 0.691 5.030 4.340 -0.001 0.000 0.281 247 R C -1.530 174.813 176.300 0.071 0.000 0.972 247 R CA -1.004 55.036 56.100 -0.099 0.000 0.912 247 R CB 3.196 33.333 30.300 -0.271 0.000 1.187 247 R HN -0.028 nan 8.270 nan 0.000 0.464 248 V N 0.935 120.864 119.914 0.025 0.000 2.876 248 V HA 0.865 4.985 4.120 -0.001 0.000 0.312 248 V C -0.697 175.317 176.094 -0.133 0.000 1.085 248 V CA -0.408 61.858 62.300 -0.057 0.000 0.945 248 V CB 2.151 33.989 31.823 0.024 0.000 1.017 248 V HN 0.884 nan 8.190 nan 0.000 0.428 249 G N 3.521 112.177 108.800 -0.240 0.000 2.481 249 G HA2 0.688 4.647 3.960 -0.001 0.000 0.315 249 G HA3 0.688 4.647 3.960 -0.001 0.000 0.315 249 G C -1.735 172.998 174.900 -0.279 0.000 1.231 249 G CA -0.597 44.357 45.100 -0.243 0.000 0.968 249 G HN 0.884 nan 8.290 nan 0.000 0.482 250 V N 0.598 120.338 119.914 -0.290 0.000 2.709 250 V HA 0.635 4.754 4.120 -0.001 0.000 0.308 250 V C -0.588 175.328 176.094 -0.296 0.000 1.062 250 V CA -0.692 61.442 62.300 -0.277 0.000 0.901 250 V CB 1.878 33.525 31.823 -0.294 0.000 1.003 250 V HN 0.604 nan 8.190 nan 0.000 0.425 251 V N 2.939 122.721 119.914 -0.219 0.000 2.656 251 V HA 0.580 4.699 4.120 -0.001 0.000 0.307 251 V C 0.418 176.442 176.094 -0.117 0.000 1.051 251 V CA -0.399 61.790 62.300 -0.184 0.000 0.893 251 V CB 2.562 34.293 31.823 -0.152 0.000 0.999 251 V HN 1.071 nan 8.190 nan 0.000 0.426 252 T N 0.593 115.092 114.554 -0.092 0.000 2.788 252 T HA 0.120 4.469 4.350 -0.001 0.000 0.280 252 T C 1.342 176.036 174.700 -0.011 0.000 0.984 252 T CA 0.055 62.147 62.100 -0.014 0.000 0.972 252 T CB 0.402 69.283 68.868 0.022 0.000 1.039 252 T HN 0.766 nan 8.240 nan 0.000 0.530 253 N N 0.301 119.012 118.700 0.018 0.000 2.348 253 N HA -0.154 4.586 4.740 -0.001 0.000 0.185 253 N C 1.419 176.932 175.510 0.005 0.000 1.019 253 N CA 1.728 54.786 53.050 0.013 0.000 0.880 253 N CB -0.958 37.547 38.487 0.030 0.000 0.965 253 N HN 0.842 nan 8.380 nan 0.000 0.437 254 T N -5.250 109.305 114.554 0.002 0.000 3.086 254 T HA 0.455 4.805 4.350 -0.001 0.000 0.250 254 T C 1.275 175.961 174.700 -0.023 0.000 1.074 254 T CA 0.298 62.394 62.100 -0.007 0.000 0.988 254 T CB 0.059 68.923 68.868 -0.006 0.000 0.988 254 T HN 0.391 nan 8.240 nan 0.000 0.530 255 G N 1.004 109.782 108.800 -0.036 0.000 2.175 255 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.244 255 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.244 255 G C 0.127 174.983 174.900 -0.074 0.000 0.982 255 G CA -0.065 45.002 45.100 -0.053 0.000 0.641 255 G HN 0.670 nan 8.290 nan 0.000 0.527 256 T N 1.632 116.141 114.554 -0.075 0.000 2.870 256 T HA 0.469 4.818 4.350 -0.001 0.000 0.300 256 T C 1.034 175.635 174.700 -0.165 0.000 0.989 256 T CA 0.101 62.145 62.100 -0.093 0.000 1.139 256 T CB 1.035 69.861 68.868 -0.070 0.000 0.920 256 T HN 0.323 nan 8.240 nan 0.000 0.537 257 I N 4.299 124.746 120.570 -0.206 0.000 2.452 257 I HA 0.121 4.290 4.170 -0.001 0.000 0.287 257 I C 0.175 176.035 176.117 -0.428 0.000 1.079 257 I CA -0.316 60.757 61.300 -0.378 0.000 1.387 257 I CB 0.403 38.094 38.000 -0.514 0.000 1.404 257 I HN 0.362 nan 8.210 nan 0.000 0.522 258 I N 8.012 128.284 120.570 -0.498 0.000 2.307 258 I HA 0.190 4.360 4.170 -0.001 0.000 0.287 258 I C 0.035 175.873 176.117 -0.466 0.000 1.054 258 I CA -0.567 60.421 61.300 -0.520 0.000 1.218 258 I CB -0.380 37.097 38.000 -0.872 0.000 1.398 258 I HN 0.373 nan 8.210 nan 0.000 0.475 259 Y N 7.948 128.126 120.300 -0.203 0.000 2.457 259 Y HA 0.088 4.638 4.550 -0.001 0.000 0.341 259 Y C -1.015 174.802 175.900 -0.138 0.000 1.240 259 Y CA -0.923 57.093 58.100 -0.139 0.000 1.437 259 Y CB 0.001 38.410 38.460 -0.084 0.000 1.328 259 Y HN 0.430 nan 8.280 nan 0.000 0.588 260 P HA -0.173 nan 4.420 nan 0.000 0.219 260 P C 0.786 178.109 177.300 0.038 0.000 1.146 260 P CA 1.809 64.928 63.100 0.032 0.000 0.808 260 P CB 0.158 31.906 31.700 0.081 0.000 0.779 261 D N -0.508 119.925 120.400 0.055 0.000 2.178 261 D HA -0.162 4.477 4.640 -0.001 0.000 0.202 261 D C 1.767 178.035 176.300 -0.053 0.000 0.974 261 D CA 1.204 55.210 54.000 0.009 0.000 0.841 261 D CB -0.846 39.959 40.800 0.009 0.000 0.953 261 D HN 0.173 nan 8.370 nan 0.000 0.478 262 R N -0.472 119.998 120.500 -0.051 0.000 2.075 262 R HA 0.057 4.396 4.340 -0.001 0.000 0.226 262 R C 2.352 178.574 176.300 -0.131 0.000 1.114 262 R CA 0.455 56.498 56.100 -0.094 0.000 0.972 262 R CB -0.494 29.774 30.300 -0.053 0.000 0.869 262 R HN 0.157 nan 8.270 nan 0.000 0.437 263 L N 1.328 122.447 121.223 -0.174 0.000 2.043 263 L HA -0.179 4.161 4.340 -0.001 0.000 0.212 263 L C 2.024 178.721 176.870 -0.287 0.000 1.075 263 L CA 1.571 56.272 54.840 -0.232 0.000 0.752 263 L CB -0.550 41.353 42.059 -0.261 0.000 0.891 263 L HN 0.106 nan 8.230 nan 0.000 0.432 264 L N -1.139 120.019 121.223 -0.107 0.000 2.191 264 L HA -0.187 4.152 4.340 -0.001 0.000 0.212 264 L C 2.339 179.163 176.870 -0.076 0.000 1.103 264 L CA 1.642 56.486 54.840 0.007 0.000 0.769 264 L CB -0.355 41.740 42.059 0.060 0.000 0.908 264 L HN 0.336 nan 8.230 nan 0.000 0.438 265 M N -1.919 117.549 119.600 -0.220 0.000 2.086 265 M HA -0.241 4.238 4.480 -0.001 0.000 0.261 265 M C 2.138 178.210 176.300 -0.380 0.000 1.067 265 M CA 1.709 56.791 55.300 -0.364 0.000 1.116 265 M CB -0.532 31.642 32.600 -0.709 0.000 1.348 265 M HN 0.307 nan 8.290 nan 0.000 0.407 266 L N -0.206 120.776 121.223 -0.403 0.000 2.046 266 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 266 L C 2.047 178.917 176.870 0.001 0.000 1.077 266 L CA 1.861 56.579 54.840 -0.203 0.000 0.747 266 L CB -0.553 41.373 42.059 -0.222 0.000 0.896 266 L HN 0.089 nan 8.230 nan 0.000 0.432 267 F N -0.148 119.807 119.950 0.009 0.000 2.186 267 F HA -0.082 4.444 4.527 -0.001 0.000 0.299 267 F C 2.536 178.335 175.800 -0.001 0.000 1.090 267 F CA 0.758 58.791 58.000 0.056 0.000 1.307 267 F CB -1.604 37.428 39.000 0.055 0.000 1.019 267 F HN 0.192 nan 8.300 nan 0.000 0.489 268 A N -0.083 122.821 122.820 0.139 0.000 1.898 268 A HA -0.221 4.099 4.320 -0.001 0.000 0.216 268 A C 2.334 179.910 177.584 -0.013 0.000 1.181 268 A CA 1.767 53.842 52.037 0.063 0.000 0.620 268 A CB -0.774 18.258 19.000 0.053 0.000 0.819 268 A HN 0.331 nan 8.150 nan 0.000 0.442 269 K N -0.188 120.144 120.400 -0.114 0.000 2.044 269 K HA -0.282 4.037 4.320 -0.001 0.000 0.210 269 K C 1.793 178.254 176.600 -0.232 0.000 1.049 269 K CA 2.170 58.206 56.287 -0.419 0.000 0.927 269 K CB -0.322 31.918 32.500 -0.434 0.000 0.713 269 K HN 0.468 nan 8.250 nan 0.000 0.443 270 D N -0.284 120.086 120.400 -0.050 0.000 2.084 270 D HA -0.148 4.491 4.640 -0.001 0.000 0.194 270 D C 1.834 178.152 176.300 0.029 0.000 0.990 270 D CA 1.590 55.600 54.000 0.016 0.000 0.826 270 D CB 0.067 40.942 40.800 0.126 0.000 0.971 270 D HN 0.082 nan 8.370 nan 0.000 0.453 271 V N -0.093 119.864 119.914 0.072 0.000 2.307 271 V HA -0.180 3.939 4.120 -0.001 0.000 0.245 271 V C 2.589 178.704 176.094 0.034 0.000 1.045 271 V CA 1.331 63.675 62.300 0.074 0.000 1.024 271 V CB -0.329 31.552 31.823 0.097 0.000 0.651 271 V HN 0.185 nan 8.190 nan 0.000 0.449 272 V N 1.049 120.971 119.914 0.013 0.000 2.515 272 V HA -0.203 3.917 4.120 -0.001 0.000 0.250 272 V C 2.712 178.809 176.094 0.005 0.000 1.058 272 V CA 1.947 64.259 62.300 0.019 0.000 1.064 272 V CB -0.776 31.075 31.823 0.047 0.000 0.675 272 V HN 0.777 nan 8.190 nan 0.000 0.461 273 S N 0.794 116.473 115.700 -0.036 0.000 2.419 273 S HA -0.236 4.234 4.470 -0.001 0.000 0.235 273 S C 1.938 176.538 174.600 -0.000 0.000 1.019 273 S CA 1.489 59.673 58.200 -0.027 0.000 0.982 273 S CB -0.383 62.784 63.200 -0.056 0.000 0.789 273 S HN 0.657 nan 8.310 nan 0.000 0.490 274 R N 0.897 121.401 120.500 0.006 0.000 2.334 274 R HA 0.315 4.654 4.340 -0.001 0.000 0.212 274 R C -0.289 176.021 176.300 0.016 0.000 0.897 274 R CA 0.077 56.183 56.100 0.011 0.000 1.056 274 R CB 0.217 30.524 30.300 0.012 0.000 1.046 274 R HN 0.404 nan 8.270 nan 0.000 0.513 275 N N 1.281 119.993 118.700 0.021 0.000 2.725 275 N HA 0.200 4.939 4.740 -0.001 0.000 0.248 275 N C -2.899 172.627 175.510 0.027 0.000 1.402 275 N CA -1.206 51.857 53.050 0.022 0.000 0.766 275 N CB 1.932 40.434 38.487 0.025 0.000 1.223 275 N HN -0.124 nan 8.380 nan 0.000 0.515 276 P HA 0.065 nan 4.420 nan 0.000 0.265 276 P C 1.094 178.411 177.300 0.029 0.000 1.193 276 P CA 0.924 64.044 63.100 0.033 0.000 0.765 276 P CB 0.512 32.230 31.700 0.029 0.000 0.823 277 G N 1.639 110.460 108.800 0.036 0.000 2.179 277 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.260 277 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.260 277 G C 0.460 175.373 174.900 0.022 0.000 0.977 277 G CA 0.017 45.133 45.100 0.027 0.000 0.641 277 G HN 0.867 nan 8.290 nan 0.000 0.533 278 A N 0.065 122.900 122.820 0.026 0.000 2.498 278 A HA 0.490 4.809 4.320 -0.001 0.000 0.239 278 A C 0.322 177.917 177.584 0.018 0.000 1.068 278 A CA 0.439 52.487 52.037 0.018 0.000 0.766 278 A CB 0.262 19.277 19.000 0.024 0.000 1.003 278 A HN 0.287 nan 8.150 nan 0.000 0.497 279 D N 0.873 121.272 120.400 -0.001 0.000 2.389 279 D HA 0.426 5.065 4.640 -0.001 0.000 0.247 279 D C -0.166 176.134 176.300 -0.000 0.000 1.128 279 D CA 0.588 54.582 54.000 -0.011 0.000 0.884 279 D CB 0.602 41.372 40.800 -0.050 0.000 1.194 279 D HN 0.239 nan 8.370 nan 0.000 0.441 280 I N 3.488 124.075 120.570 0.027 0.000 2.468 280 I HA 0.325 4.494 4.170 -0.001 0.000 0.285 280 I C 0.051 176.215 176.117 0.079 0.000 1.039 280 I CA -0.500 60.835 61.300 0.058 0.000 1.074 280 I CB 1.172 39.234 38.000 0.104 0.000 1.228 280 I HN 0.214 nan 8.210 nan 0.000 0.436 281 I N 6.946 127.522 120.570 0.010 0.000 2.428 281 I HA 0.461 4.631 4.170 -0.001 0.000 0.296 281 I C -0.550 175.601 176.117 0.057 0.000 0.985 281 I CA -0.543 60.705 61.300 -0.087 0.000 1.260 281 I CB 1.228 39.128 38.000 -0.168 0.000 1.389 281 I HN 0.436 nan 8.210 nan 0.000 0.484 282 F N 2.597 122.541 119.950 -0.010 0.000 2.631 282 F HA 0.532 5.058 4.527 -0.001 0.000 0.308 282 F C -0.741 175.061 175.800 0.003 0.000 1.097 282 F CA -1.353 56.645 58.000 -0.003 0.000 0.952 282 F CB 0.684 39.667 39.000 -0.027 0.000 1.307 282 F HN 0.432 nan 8.300 nan 0.000 0.450 283 D N 1.002 121.475 120.400 0.123 0.000 2.383 283 D HA 0.148 4.788 4.640 -0.001 0.000 0.248 283 D C 1.274 177.599 176.300 0.041 0.000 1.170 283 D CA -0.188 53.826 54.000 0.023 0.000 0.977 283 D CB 1.744 42.568 40.800 0.040 0.000 1.120 283 D HN 0.727 nan 8.370 nan 0.000 0.481 284 V N -1.637 118.246 119.914 -0.050 0.000 3.026 284 V HA -0.148 3.972 4.120 -0.001 0.000 0.265 284 V C 1.647 177.706 176.094 -0.059 0.000 1.121 284 V CA 1.094 63.346 62.300 -0.080 0.000 1.142 284 V CB -1.119 30.645 31.823 -0.098 0.000 0.730 284 V HN 0.456 nan 8.190 nan 0.000 0.503 285 K N -0.452 119.966 120.400 0.030 0.000 2.487 285 K HA 0.218 4.538 4.320 -0.001 0.000 0.192 285 K C 0.551 177.235 176.600 0.140 0.000 1.027 285 K CA 0.078 56.441 56.287 0.126 0.000 1.054 285 K CB -0.034 32.529 32.500 0.105 0.000 0.824 285 K HN 0.529 nan 8.250 nan 0.000 0.510 286 C N 0.970 120.266 119.300 -0.007 0.000 2.405 286 C HA 0.156 4.616 4.460 -0.001 0.000 0.365 286 C C 1.047 175.879 174.990 -0.263 0.000 1.233 286 C CA -0.958 58.038 59.018 -0.037 0.000 2.230 286 C CB 0.984 28.729 27.740 0.008 0.000 2.443 286 C HN 0.336 nan 8.230 nan 0.000 0.556 287 T N 1.790 116.302 114.554 -0.071 0.000 2.933 287 T HA -0.007 4.342 4.350 -0.001 0.000 0.306 287 T C 1.578 176.062 174.700 -0.360 0.000 1.045 287 T CA 0.164 62.246 62.100 -0.030 0.000 1.143 287 T CB 0.267 69.185 68.868 0.084 0.000 1.003 287 T HN 0.847 nan 8.240 nan 0.000 0.540 288 R N 4.346 124.572 120.500 -0.457 0.000 2.200 288 R HA -0.095 4.245 4.340 -0.001 0.000 0.234 288 R C 1.849 178.024 176.300 -0.207 0.000 1.127 288 R CA 0.913 56.784 56.100 -0.380 0.000 0.989 288 R CB -0.141 30.026 30.300 -0.223 0.000 0.869 288 R HN 0.473 nan 8.270 nan 0.000 0.459 289 R N 1.105 121.537 120.500 -0.114 0.000 2.152 289 R HA -0.016 4.323 4.340 -0.001 0.000 0.232 289 R C 2.201 178.410 176.300 -0.152 0.000 1.117 289 R CA 0.842 56.897 56.100 -0.076 0.000 0.981 289 R CB -0.608 29.688 30.300 -0.007 0.000 0.870 289 R HN 0.379 nan 8.270 nan 0.000 0.451 290 L N 0.229 121.278 121.223 -0.290 0.000 2.083 290 L HA -0.165 4.174 4.340 -0.001 0.000 0.209 290 L C 2.285 178.935 176.870 -0.367 0.000 1.083 290 L CA 1.102 55.704 54.840 -0.398 0.000 0.752 290 L CB -0.333 41.275 42.059 -0.751 0.000 0.899 290 L HN 0.090 nan 8.230 nan 0.000 0.433 291 I N -0.373 119.973 120.570 -0.375 0.000 2.127 291 I HA -0.337 3.832 4.170 -0.001 0.000 0.241 291 I C 2.764 178.837 176.117 -0.073 0.000 1.075 291 I CA 1.472 62.676 61.300 -0.160 0.000 1.334 291 I CB -0.513 37.442 38.000 -0.075 0.000 1.040 291 I HN 0.211 nan 8.210 nan 0.000 0.405 292 A N 0.503 123.277 122.820 -0.076 0.000 1.877 292 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 292 A C 2.347 179.899 177.584 -0.054 0.000 1.186 292 A CA 1.606 53.614 52.037 -0.048 0.000 0.620 292 A CB -0.925 18.052 19.000 -0.038 0.000 0.822 292 A HN 0.443 nan 8.150 nan 0.000 0.443 293 L N -0.322 120.869 121.223 -0.054 0.000 2.017 293 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 293 L C 2.349 179.248 176.870 0.048 0.000 1.073 293 L CA 1.775 56.600 54.840 -0.025 0.000 0.745 293 L CB -0.266 41.808 42.059 0.025 0.000 0.894 293 L HN 0.442 nan 8.230 nan 0.000 0.432 294 I N -0.929 119.671 120.570 0.050 0.000 2.179 294 I HA -0.308 3.861 4.170 -0.001 0.000 0.242 294 I C 2.487 178.662 176.117 0.096 0.000 1.088 294 I CA 1.455 62.822 61.300 0.111 0.000 1.357 294 I CB -0.402 37.647 38.000 0.083 0.000 1.051 294 I HN 0.209 nan 8.210 nan 0.000 0.409 295 S N 0.684 116.408 115.700 0.041 0.000 2.382 295 S HA -0.132 4.337 4.470 -0.001 0.000 0.228 295 S C 2.139 176.739 174.600 0.000 0.000 1.027 295 S CA 1.364 59.579 58.200 0.026 0.000 0.991 295 S CB -0.743 62.464 63.200 0.010 0.000 0.823 295 S HN 0.658 nan 8.310 nan 0.000 0.469 296 G N -0.202 108.561 108.800 -0.063 0.000 2.422 296 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.218 296 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.218 296 G C 0.859 175.659 174.900 -0.166 0.000 1.146 296 G CA 0.534 45.539 45.100 -0.158 0.000 0.769 296 G HN 0.526 nan 8.290 nan 0.000 0.547 297 Y N 0.434 120.753 120.300 0.031 0.000 2.490 297 Y HA 0.331 4.880 4.550 -0.001 0.000 0.281 297 Y C 2.085 178.002 175.900 0.029 0.000 1.174 297 Y CA -0.276 57.845 58.100 0.035 0.000 1.295 297 Y CB 0.109 38.596 38.460 0.044 0.000 1.062 297 Y HN 0.299 nan 8.280 nan 0.000 0.522 298 G N -0.432 108.448 108.800 0.133 0.000 2.132 298 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.234 298 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.234 298 G C 0.679 175.628 174.900 0.082 0.000 0.989 298 G CA -0.070 45.083 45.100 0.088 0.000 0.676 298 G HN 0.730 nan 8.290 nan 0.000 0.522 299 G N -0.906 107.954 108.800 0.101 0.000 2.528 299 G HA2 0.582 4.541 3.960 -0.001 0.000 0.289 299 G HA3 0.582 4.541 3.960 -0.001 0.000 0.289 299 G C -0.019 174.920 174.900 0.064 0.000 1.192 299 G CA -0.357 44.792 45.100 0.081 0.000 0.921 299 G HN 0.562 nan 8.290 nan 0.000 0.512 300 R N 1.254 121.785 120.500 0.052 0.000 2.275 300 R HA 0.362 4.702 4.340 -0.001 0.000 0.326 300 R C -2.427 173.911 176.300 0.063 0.000 0.973 300 R CA -1.734 54.391 56.100 0.041 0.000 0.854 300 R CB 1.585 31.892 30.300 0.013 0.000 1.156 300 R HN 0.291 nan 8.270 nan 0.000 0.487 301 P HA 0.067 nan 4.420 nan 0.000 0.281 301 P C -0.904 176.454 177.300 0.097 0.000 1.252 301 P CA -0.186 63.047 63.100 0.222 0.000 0.778 301 P CB 1.550 33.430 31.700 0.300 0.000 0.895 302 V N 5.446 125.329 119.914 -0.051 0.000 2.349 302 V HA 0.301 4.420 4.120 -0.001 0.000 0.284 302 V C 0.488 176.202 176.094 -0.633 0.000 1.014 302 V CA -0.628 61.528 62.300 -0.240 0.000 0.826 302 V CB 1.387 33.088 31.823 -0.203 0.000 1.009 302 V HN 0.615 nan 8.190 nan 0.000 0.431 303 M N 5.690 124.914 119.600 -0.626 0.000 2.211 303 M HA 0.422 4.902 4.480 -0.001 0.000 0.356 303 M C -0.975 175.221 176.300 -0.173 0.000 1.216 303 M CA 0.204 55.030 55.300 -0.790 0.000 1.134 303 M CB 1.090 33.442 32.600 -0.414 0.000 1.564 303 M HN 0.814 nan 8.290 nan 0.000 0.463 304 W N 3.976 125.008 121.300 -0.447 0.000 3.003 304 W HA 0.376 5.035 4.660 -0.002 0.000 0.362 304 W C -1.025 175.386 176.519 -0.179 0.000 1.213 304 W CA -0.924 56.261 57.345 -0.267 0.000 1.157 304 W CB 1.583 30.889 29.460 -0.256 0.000 1.493 304 W HN 0.500 nan 8.180 nan 0.000 0.589 305 K N 1.692 121.463 120.400 -1.048 0.000 2.436 305 K HA 0.129 4.448 4.320 -0.001 0.000 0.275 305 K C 0.195 176.623 176.600 -0.287 0.000 0.999 305 K CA 0.444 56.310 56.287 -0.702 0.000 0.980 305 K CB 0.608 32.583 32.500 -0.874 0.000 0.919 305 K HN 0.154 nan 8.250 nan 0.000 0.484 306 T N 1.548 116.017 114.554 -0.141 0.000 2.932 306 T HA 0.336 4.685 4.350 -0.001 0.000 0.312 306 T C 0.319 174.967 174.700 -0.087 0.000 1.071 306 T CA 0.438 62.517 62.100 -0.035 0.000 1.128 306 T CB 0.707 69.605 68.868 0.050 0.000 0.984 306 T HN 0.799 nan 8.240 nan 0.000 0.549 307 G N 1.744 110.406 108.800 -0.230 0.000 3.239 307 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.666 307 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.666 307 G C 0.084 174.661 174.900 -0.538 0.000 1.313 307 G CA 0.001 44.578 45.100 -0.872 0.000 1.001 307 G HN 1.051 nan 8.290 nan 0.000 0.573 308 H N 0.699 119.458 119.070 -0.519 0.000 2.352 308 H HA -0.037 4.519 4.556 -0.001 0.000 0.299 308 H C 2.511 177.824 175.328 -0.024 0.000 1.097 308 H CA 2.395 58.356 56.048 -0.145 0.000 1.311 308 H CB -0.034 29.511 29.762 -0.362 0.000 1.377 308 H HN 0.396 nan 8.280 nan 0.000 0.504 309 S N 0.867 116.070 115.700 -0.829 0.000 2.382 309 S HA -0.061 4.408 4.470 -0.001 0.000 0.228 309 S C 2.144 176.651 174.600 -0.154 0.000 1.027 309 S CA 1.313 59.257 58.200 -0.426 0.000 0.991 309 S CB -0.245 62.740 63.200 -0.359 0.000 0.823 309 S HN 0.352 nan 8.310 nan 0.000 0.469 310 L N 1.006 122.151 121.223 -0.131 0.000 2.056 310 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 310 L C 2.224 179.147 176.870 0.087 0.000 1.078 310 L CA 0.785 55.652 54.840 0.046 0.000 0.749 310 L CB -0.647 41.450 42.059 0.062 0.000 0.901 310 L HN 0.277 nan 8.230 nan 0.000 0.433 311 I N 0.429 120.965 120.570 -0.056 0.000 2.226 311 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 311 I C 2.478 178.392 176.117 -0.339 0.000 1.100 311 I CA 1.598 62.761 61.300 -0.228 0.000 1.374 311 I CB -0.800 36.870 38.000 -0.550 0.000 1.057 311 I HN 0.297 nan 8.210 nan 0.000 0.413 312 K N 0.939 121.202 120.400 -0.229 0.000 2.057 312 K HA -0.182 4.138 4.320 -0.001 0.000 0.207 312 K C 2.114 178.661 176.600 -0.089 0.000 1.049 312 K CA 1.362 57.593 56.287 -0.094 0.000 0.931 312 K CB -0.062 32.480 32.500 0.071 0.000 0.714 312 K HN 0.282 nan 8.250 nan 0.000 0.440 313 K N 0.657 121.012 120.400 -0.074 0.000 2.057 313 K HA -0.178 4.141 4.320 -0.001 0.000 0.207 313 K C 2.083 178.591 176.600 -0.154 0.000 1.049 313 K CA 1.241 57.484 56.287 -0.074 0.000 0.931 313 K CB -0.034 32.453 32.500 -0.022 0.000 0.714 313 K HN -0.104 nan 8.250 nan 0.000 0.440 314 K N 0.747 121.008 120.400 -0.231 0.000 2.097 314 K HA -0.023 4.296 4.320 -0.001 0.000 0.205 314 K C 1.979 178.383 176.600 -0.326 0.000 1.050 314 K CA 1.101 57.125 56.287 -0.439 0.000 0.938 314 K CB -0.001 32.048 32.500 -0.752 0.000 0.718 314 K HN -0.022 nan 8.250 nan 0.000 0.442 315 M N 0.813 120.267 119.600 -0.244 0.000 2.088 315 M HA -0.231 4.248 4.480 -0.001 0.000 0.256 315 M C 2.416 178.638 176.300 -0.130 0.000 1.071 315 M CA 2.597 57.795 55.300 -0.170 0.000 1.097 315 M CB -1.241 31.290 32.600 -0.115 0.000 1.315 315 M HN 0.283 nan 8.290 nan 0.000 0.406 316 K N 0.285 120.618 120.400 -0.112 0.000 2.057 316 K HA -0.182 4.137 4.320 -0.001 0.000 0.207 316 K C 1.775 178.310 176.600 -0.108 0.000 1.049 316 K CA 1.963 58.199 56.287 -0.085 0.000 0.931 316 K CB -1.240 31.221 32.500 -0.065 0.000 0.714 316 K HN 0.657 nan 8.250 nan 0.000 0.440 317 E N 0.392 120.500 120.200 -0.154 0.000 2.150 317 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 317 E C 2.010 178.511 176.600 -0.166 0.000 0.985 317 E CA 1.865 58.164 56.400 -0.168 0.000 0.814 317 E CB -0.003 29.556 29.700 -0.235 0.000 0.752 317 E HN 0.717 nan 8.360 nan 0.000 0.466 318 T N -3.912 110.531 114.554 -0.184 0.000 3.037 318 T HA 0.259 4.608 4.350 -0.001 0.000 0.251 318 T C 1.467 176.101 174.700 -0.110 0.000 1.079 318 T CA 0.511 62.514 62.100 -0.163 0.000 1.067 318 T CB 0.518 69.266 68.868 -0.200 0.000 0.948 318 T HN 0.287 nan 8.240 nan 0.000 0.496 319 G N 1.879 110.622 108.800 -0.095 0.000 2.160 319 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.251 319 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.251 319 G C 0.316 175.183 174.900 -0.055 0.000 1.008 319 G CA 0.004 45.065 45.100 -0.064 0.000 0.724 319 G HN 1.200 nan 8.290 nan 0.000 0.514 320 A N -0.663 122.112 122.820 -0.074 0.000 2.531 320 A HA 0.579 4.898 4.320 -0.001 0.000 0.236 320 A C 1.464 179.031 177.584 -0.027 0.000 1.062 320 A CA 0.689 52.691 52.037 -0.059 0.000 0.760 320 A CB 0.250 19.196 19.000 -0.089 0.000 0.995 320 A HN 0.831 nan 8.150 nan 0.000 0.501 321 L N 0.800 122.019 121.223 -0.007 0.000 2.529 321 L HA 0.248 4.587 4.340 -0.001 0.000 0.223 321 L C -0.069 176.813 176.870 0.021 0.000 1.113 321 L CA 0.357 55.209 54.840 0.021 0.000 0.861 321 L CB -0.121 41.958 42.059 0.033 0.000 1.012 321 L HN 0.640 nan 8.230 nan 0.000 0.461 322 L N -0.418 120.793 121.223 -0.021 0.000 2.545 322 L HA 0.758 5.097 4.340 -0.001 0.000 0.258 322 L C -1.519 175.323 176.870 -0.047 0.000 0.942 322 L CA -0.280 54.506 54.840 -0.090 0.000 0.855 322 L CB 1.837 43.806 42.059 -0.149 0.000 1.374 322 L HN -0.134 nan 8.230 nan 0.000 0.411 323 A N 2.216 125.028 122.820 -0.013 0.000 2.498 323 A HA 1.026 5.345 4.320 -0.001 0.000 0.298 323 A C -0.688 177.025 177.584 0.214 0.000 1.075 323 A CA -0.051 51.996 52.037 0.017 0.000 0.714 323 A CB 1.874 20.737 19.000 -0.228 0.000 1.299 323 A HN 1.303 nan 8.150 nan 0.000 0.407 324 G N 0.064 109.002 108.800 0.230 0.000 2.733 324 G HA2 0.598 4.558 3.960 -0.001 0.000 0.297 324 G HA3 0.598 4.558 3.960 -0.001 0.000 0.297 324 G C -1.402 173.683 174.900 0.309 0.000 1.422 324 G CA -0.511 44.794 45.100 0.340 0.000 0.942 324 G HN 0.682 nan 8.290 nan 0.000 0.510 325 E N 1.074 121.493 120.200 0.364 0.000 2.221 325 E HA 0.279 4.628 4.350 -0.001 0.000 0.268 325 E C 0.829 177.562 176.600 0.222 0.000 0.933 325 E CA -1.165 55.406 56.400 0.286 0.000 0.809 325 E CB 2.371 32.282 29.700 0.352 0.000 1.190 325 E HN 0.414 nan 8.360 nan 0.000 0.406 326 M N 1.783 121.487 119.600 0.173 0.000 2.279 326 M HA -0.148 4.331 4.480 -0.001 0.000 0.264 326 M C 1.734 178.113 176.300 0.131 0.000 1.062 326 M CA 1.740 57.122 55.300 0.137 0.000 1.099 326 M CB -0.256 32.410 32.600 0.110 0.000 1.394 326 M HN 0.482 nan 8.290 nan 0.000 0.426 327 S N -1.295 114.493 115.700 0.147 0.000 2.481 327 S HA 0.273 4.742 4.470 -0.001 0.000 0.231 327 S C 1.657 176.275 174.600 0.029 0.000 0.996 327 S CA 0.507 58.767 58.200 0.100 0.000 0.942 327 S CB -0.637 62.659 63.200 0.160 0.000 0.768 327 S HN 0.880 nan 8.310 nan 0.000 0.520 328 G N 0.625 109.470 108.800 0.075 0.000 2.168 328 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.197 328 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.197 328 G C -0.180 174.726 174.900 0.011 0.000 0.997 328 G CA -0.219 44.900 45.100 0.031 0.000 0.658 328 G HN 0.635 nan 8.290 nan 0.000 0.513 329 H N 0.267 119.417 119.070 0.134 0.000 2.899 329 H HA 0.433 4.988 4.556 -0.001 0.000 0.303 329 H C -0.173 175.218 175.328 0.106 0.000 1.042 329 H CA 0.529 56.610 56.048 0.055 0.000 1.479 329 H CB 1.393 31.216 29.762 0.101 0.000 1.493 329 H HN 0.120 nan 8.280 nan 0.000 0.534 330 V N 5.742 125.709 119.914 0.088 0.000 2.588 330 V HA 0.225 4.344 4.120 -0.001 0.000 0.304 330 V C -0.659 175.494 176.094 0.099 0.000 1.042 330 V CA -0.742 61.680 62.300 0.204 0.000 0.877 330 V CB 1.494 33.469 31.823 0.253 0.000 0.996 330 V HN 0.469 nan 8.190 nan 0.000 0.425 331 F N 4.264 124.261 119.950 0.078 0.000 2.434 331 F HA 0.585 5.111 4.527 -0.001 0.000 0.367 331 F C -0.394 175.401 175.800 -0.008 0.000 1.093 331 F CA -0.929 57.154 58.000 0.137 0.000 1.085 331 F CB 0.850 39.927 39.000 0.129 0.000 1.322 331 F HN 0.261 nan 8.300 nan 0.000 0.452 332 F N 2.695 122.811 119.950 0.277 0.000 2.420 332 F HA 0.350 4.877 4.527 -0.001 0.000 0.352 332 F C 1.408 177.336 175.800 0.215 0.000 1.108 332 F CA -0.359 57.761 58.000 0.200 0.000 1.162 332 F CB 1.514 40.633 39.000 0.198 0.000 1.118 332 F HN 0.345 nan 8.300 nan 0.000 0.510 333 K N 1.771 122.328 120.400 0.261 0.000 2.214 333 K HA 0.009 4.328 4.320 -0.001 0.000 0.201 333 K C 0.507 177.190 176.600 0.139 0.000 1.049 333 K CA 0.477 56.854 56.287 0.150 0.000 0.978 333 K CB 0.038 32.580 32.500 0.071 0.000 0.842 333 K HN 0.542 nan 8.250 nan 0.000 0.474 334 E N 1.717 122.025 120.200 0.180 0.000 2.417 334 E HA -0.063 4.287 4.350 -0.001 0.000 0.261 334 E C -0.604 176.091 176.600 0.159 0.000 1.000 334 E CA 0.326 56.810 56.400 0.140 0.000 0.919 334 E CB 0.171 29.962 29.700 0.152 0.000 0.955 334 E HN 0.262 nan 8.360 nan 0.000 0.455 335 R N 1.555 122.094 120.500 0.065 0.000 3.953 335 R HA -0.216 4.123 4.340 -0.001 0.000 0.340 335 R C -0.128 176.219 176.300 0.079 0.000 1.195 335 R CA 1.634 57.765 56.100 0.051 0.000 0.929 335 R CB -1.530 28.812 30.300 0.070 0.000 1.402 335 R HN 0.751 nan 8.270 nan 0.000 0.540 336 W N -2.004 119.084 121.300 -0.353 0.000 3.440 336 W HA 0.343 5.003 4.660 -0.001 0.000 0.407 336 W C -0.647 175.444 176.519 -0.713 0.000 1.078 336 W CA -0.549 56.426 57.345 -0.616 0.000 1.240 336 W CB 0.387 29.520 29.460 -0.544 0.000 1.485 336 W HN -0.185 nan 8.180 nan 0.000 0.633 337 F N 0.508 120.050 119.950 -0.680 0.000 2.784 337 F HA 0.306 4.833 4.527 -0.001 0.000 0.323 337 F C 1.477 177.096 175.800 -0.302 0.000 1.085 337 F CA 0.917 58.577 58.000 -0.567 0.000 1.196 337 F CB 0.807 39.349 39.000 -0.763 0.000 1.053 337 F HN 0.596 nan 8.300 nan 0.000 0.578 338 G N 0.772 109.531 108.800 -0.067 0.000 2.176 338 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.232 338 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.232 338 G C 0.208 175.279 174.900 0.284 0.000 0.986 338 G CA 0.012 45.188 45.100 0.127 0.000 0.643 338 G HN 0.261 nan 8.290 nan 0.000 0.522 339 F N 1.851 122.017 119.950 0.361 0.000 2.408 339 F HA 0.693 5.219 4.527 -0.001 0.000 0.325 339 F C 0.316 176.321 175.800 0.342 0.000 1.082 339 F CA -2.168 56.037 58.000 0.342 0.000 1.032 339 F CB 0.448 39.551 39.000 0.172 0.000 1.259 339 F HN 0.115 nan 8.300 nan 0.000 0.503 340 D N 0.630 121.191 120.400 0.268 0.000 2.390 340 D HA 0.217 4.856 4.640 -0.001 0.000 0.249 340 D C -1.019 175.541 176.300 0.434 0.000 1.144 340 D CA 0.018 53.909 54.000 -0.182 0.000 0.880 340 D CB 1.295 41.627 40.800 -0.779 0.000 1.182 340 D HN 0.662 nan 8.370 nan 0.000 0.451 341 D N 0.868 121.491 120.400 0.372 0.000 2.333 341 D HA 0.214 4.854 4.640 -0.001 0.000 0.225 341 D C 1.010 177.517 176.300 0.345 0.000 1.345 341 D CA -0.644 53.648 54.000 0.485 0.000 0.971 341 D CB 1.117 42.378 40.800 0.769 0.000 1.451 341 D HN 0.406 nan 8.370 nan 0.000 0.561 342 G N 2.500 111.473 108.800 0.289 0.000 2.422 342 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.218 342 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.218 342 G C 1.594 176.741 174.900 0.413 0.000 1.140 342 G CA 0.569 45.880 45.100 0.352 0.000 0.775 342 G HN 0.563 nan 8.290 nan 0.000 0.545 343 I N -1.001 119.699 120.570 0.216 0.000 2.233 343 I HA -0.084 4.086 4.170 -0.001 0.000 0.243 343 I C 2.404 178.562 176.117 0.069 0.000 1.093 343 I CA 0.889 62.231 61.300 0.069 0.000 1.380 343 I CB -0.279 37.706 38.000 -0.024 0.000 1.067 343 I HN 0.173 nan 8.210 nan 0.000 0.413 344 Y N 1.560 121.814 120.300 -0.077 0.000 2.181 344 Y HA -0.258 4.291 4.550 -0.001 0.000 0.288 344 Y C 2.731 178.404 175.900 -0.378 0.000 1.146 344 Y CA 1.658 59.505 58.100 -0.422 0.000 1.164 344 Y CB -0.283 37.692 38.460 -0.809 0.000 0.982 344 Y HN 0.045 nan 8.280 nan 0.000 0.515 345 S N 0.221 115.845 115.700 -0.126 0.000 2.382 345 S HA -0.181 4.289 4.470 -0.001 0.000 0.228 345 S C 2.289 176.905 174.600 0.026 0.000 1.027 345 S CA 0.959 59.126 58.200 -0.055 0.000 0.991 345 S CB -0.782 62.598 63.200 0.300 0.000 0.823 345 S HN 0.633 nan 8.310 nan 0.000 0.469 346 A N 1.732 124.614 122.820 0.102 0.000 1.908 346 A HA 0.033 4.352 4.320 -0.001 0.000 0.218 346 A C 2.370 179.935 177.584 -0.031 0.000 1.181 346 A CA 1.797 53.904 52.037 0.116 0.000 0.627 346 A CB -1.143 18.018 19.000 0.268 0.000 0.818 346 A HN 0.521 nan 8.150 nan 0.000 0.445 347 A N -0.536 122.164 122.820 -0.200 0.000 1.902 347 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 347 A C 2.214 179.571 177.584 -0.380 0.000 1.181 347 A CA 1.537 53.386 52.037 -0.313 0.000 0.623 347 A CB -0.451 18.283 19.000 -0.444 0.000 0.818 347 A HN 0.403 nan 8.150 nan 0.000 0.443 348 R N -0.960 119.178 120.500 -0.604 0.000 2.096 348 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 348 R C 2.051 178.325 176.300 -0.044 0.000 1.127 348 R CA 1.332 57.093 56.100 -0.566 0.000 0.968 348 R CB -1.221 28.361 30.300 -1.196 0.000 0.861 348 R HN 0.551 nan 8.270 nan 0.000 0.440 349 L N 1.011 122.353 121.223 0.197 0.000 2.027 349 L HA -0.077 4.262 4.340 -0.001 0.000 0.206 349 L C 2.142 179.066 176.870 0.090 0.000 1.074 349 L CA 1.510 56.526 54.840 0.293 0.000 0.745 349 L CB -0.597 41.629 42.059 0.278 0.000 0.898 349 L HN 0.053 nan 8.230 nan 0.000 0.433 350 L N -0.419 120.816 121.223 0.021 0.000 2.042 350 L HA -0.240 4.100 4.340 -0.001 0.000 0.210 350 L C 2.610 179.458 176.870 -0.036 0.000 1.076 350 L CA 1.762 56.594 54.840 -0.013 0.000 0.749 350 L CB -0.661 41.377 42.059 -0.036 0.000 0.893 350 L HN 0.464 nan 8.230 nan 0.000 0.432 351 E N 0.835 120.993 120.200 -0.070 0.000 2.038 351 E HA -0.254 4.096 4.350 -0.001 0.000 0.195 351 E C 2.282 178.857 176.600 -0.042 0.000 1.000 351 E CA 1.579 57.932 56.400 -0.077 0.000 0.803 351 E CB -0.078 29.545 29.700 -0.129 0.000 0.750 351 E HN 0.463 nan 8.360 nan 0.000 0.448 352 I N 0.828 121.390 120.570 -0.013 0.000 2.179 352 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 352 I C 2.442 178.542 176.117 -0.029 0.000 1.088 352 I CA 0.888 62.185 61.300 -0.005 0.000 1.357 352 I CB -0.193 37.832 38.000 0.042 0.000 1.051 352 I HN 0.201 nan 8.210 nan 0.000 0.409 353 L N 0.364 121.572 121.223 -0.025 0.000 2.141 353 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 353 L C 2.693 179.545 176.870 -0.031 0.000 1.094 353 L CA 1.510 56.328 54.840 -0.037 0.000 0.763 353 L CB -0.634 41.419 42.059 -0.011 0.000 0.908 353 L HN 0.380 nan 8.230 nan 0.000 0.437 354 S N -1.107 114.577 115.700 -0.027 0.000 2.481 354 S HA -0.156 4.313 4.470 -0.001 0.000 0.231 354 S C 1.641 176.223 174.600 -0.030 0.000 0.996 354 S CA 0.508 58.692 58.200 -0.027 0.000 0.942 354 S CB -0.135 63.048 63.200 -0.029 0.000 0.768 354 S HN 0.517 nan 8.310 nan 0.000 0.520 355 Q N 0.573 120.353 119.800 -0.033 0.000 2.319 355 Q HA 0.271 4.610 4.340 -0.001 0.000 0.202 355 Q C -0.427 175.552 176.000 -0.036 0.000 0.896 355 Q CA 0.003 55.787 55.803 -0.032 0.000 0.942 355 Q CB 0.302 29.021 28.738 -0.032 0.000 1.083 355 Q HN 0.506 nan 8.270 nan 0.000 0.510 356 D N -0.367 120.008 120.400 -0.041 0.000 2.217 356 D HA 0.142 4.781 4.640 -0.001 0.000 0.243 356 D C 0.652 176.927 176.300 -0.041 0.000 1.054 356 D CA 0.108 54.080 54.000 -0.047 0.000 0.838 356 D CB 1.595 42.358 40.800 -0.063 0.000 1.162 356 D HN 0.137 nan 8.370 nan 0.000 0.472 357 Q N 3.683 123.457 119.800 -0.043 0.000 2.230 357 Q HA -0.062 4.277 4.340 -0.001 0.000 0.202 357 Q C 1.108 177.080 176.000 -0.048 0.000 0.963 357 Q CA 0.922 56.699 55.803 -0.042 0.000 0.866 357 Q CB -0.296 28.415 28.738 -0.044 0.000 0.931 357 Q HN 0.489 nan 8.270 nan 0.000 0.452 358 R N 1.967 122.436 120.500 -0.052 0.000 2.615 358 R HA 0.357 4.696 4.340 -0.001 0.000 0.270 358 R C -0.358 175.934 176.300 -0.014 0.000 1.081 358 R CA -0.207 55.862 56.100 -0.051 0.000 1.154 358 R CB 0.399 30.676 30.300 -0.040 0.000 1.063 358 R HN 0.684 nan 8.270 nan 0.000 0.519 359 D N -0.275 120.137 120.400 0.020 0.000 2.371 359 D HA -0.055 4.584 4.640 -0.001 0.000 0.242 359 D C 0.752 177.103 176.300 0.087 0.000 1.218 359 D CA -0.380 53.657 54.000 0.062 0.000 0.945 359 D CB 0.656 41.510 40.800 0.090 0.000 1.137 359 D HN 0.445 nan 8.370 nan 0.000 0.464 360 S N -0.479 115.272 115.700 0.086 0.000 2.402 360 S HA -0.257 4.212 4.470 -0.001 0.000 0.229 360 S C 1.625 176.340 174.600 0.193 0.000 1.021 360 S CA 1.150 59.424 58.200 0.124 0.000 0.974 360 S CB -0.497 62.800 63.200 0.163 0.000 0.800 360 S HN 0.597 nan 8.310 nan 0.000 0.484 361 E N 1.711 121.995 120.200 0.140 0.000 2.051 361 E HA -0.199 4.150 4.350 -0.001 0.000 0.192 361 E C 1.715 178.310 176.600 -0.008 0.000 0.991 361 E CA 1.789 58.230 56.400 0.068 0.000 0.799 361 E CB -0.642 29.053 29.700 -0.009 0.000 0.748 361 E HN 0.790 nan 8.360 nan 0.000 0.449 362 H N -1.096 117.991 119.070 0.029 0.000 2.428 362 H HA 0.043 4.599 4.556 -0.001 0.000 0.296 362 H C 2.005 177.297 175.328 -0.060 0.000 1.062 362 H CA 1.208 57.249 56.048 -0.012 0.000 1.350 362 H CB 0.065 29.809 29.762 -0.030 0.000 1.403 362 H HN 0.020 nan 8.280 nan 0.000 0.533 363 V N 0.058 119.975 119.914 0.004 0.000 2.295 363 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 363 V C 1.722 177.690 176.094 -0.211 0.000 1.049 363 V CA 1.779 63.971 62.300 -0.180 0.000 1.024 363 V CB -0.496 31.145 31.823 -0.303 0.000 0.648 363 V HN 0.327 nan 8.190 nan 0.000 0.447 364 F N 0.878 120.869 119.950 0.069 0.000 2.293 364 F HA -0.065 4.461 4.527 -0.001 0.000 0.297 364 F C 2.672 178.544 175.800 0.121 0.000 1.089 364 F CA 1.217 59.321 58.000 0.173 0.000 1.377 364 F CB -0.677 38.377 39.000 0.091 0.000 1.051 364 F HN 0.242 nan 8.300 nan 0.000 0.511 365 S N -0.072 115.716 115.700 0.147 0.000 2.515 365 S HA -0.014 4.456 4.470 -0.001 0.000 0.231 365 S C 2.117 176.721 174.600 0.007 0.000 0.987 365 S CA 0.568 58.802 58.200 0.058 0.000 0.936 365 S CB -0.649 62.516 63.200 -0.059 0.000 0.766 365 S HN 0.208 nan 8.310 nan 0.000 0.528 366 A N 0.870 123.631 122.820 -0.097 0.000 2.015 366 A HA 0.254 4.573 4.320 -0.001 0.000 0.219 366 A C 0.546 177.999 177.584 -0.219 0.000 1.163 366 A CA 0.378 52.284 52.037 -0.217 0.000 0.646 366 A CB -0.692 18.078 19.000 -0.382 0.000 0.806 366 A HN 0.508 nan 8.150 nan 0.000 0.448 367 F N 0.340 120.319 119.950 0.048 0.000 2.418 367 F HA 0.393 4.919 4.527 -0.001 0.000 0.341 367 F C -1.863 173.965 175.800 0.046 0.000 1.120 367 F CA -2.531 55.502 58.000 0.055 0.000 1.232 367 F CB -0.062 38.988 39.000 0.084 0.000 1.175 367 F HN -0.044 nan 8.300 nan 0.000 0.569 368 P HA 0.078 nan 4.420 nan 0.000 0.266 368 P C -0.909 176.470 177.300 0.131 0.000 1.193 368 P CA 0.133 63.314 63.100 0.135 0.000 0.770 368 P CB 0.597 32.361 31.700 0.105 0.000 0.836 369 S N 1.140 116.897 115.700 0.095 0.000 2.548 369 S HA 0.508 4.977 4.470 -0.001 0.000 0.286 369 S C -0.865 173.774 174.600 0.066 0.000 1.098 369 S CA -0.565 57.685 58.200 0.082 0.000 0.930 369 S CB 1.335 64.579 63.200 0.073 0.000 1.070 369 S HN 0.342 nan 8.310 nan 0.000 0.480 370 D N 0.875 121.314 120.400 0.065 0.000 2.414 370 D HA 0.496 5.136 4.640 -0.001 0.000 0.241 370 D C -0.307 176.008 176.300 0.024 0.000 1.008 370 D CA -0.557 53.474 54.000 0.052 0.000 1.001 370 D CB 1.052 41.899 40.800 0.078 0.000 1.277 370 D HN 0.348 nan 8.370 nan 0.000 0.538 371 I N 0.871 121.444 120.570 0.004 0.000 2.471 371 I HA 0.153 4.322 4.170 -0.001 0.000 0.286 371 I C 0.602 176.686 176.117 -0.054 0.000 1.079 371 I CA 0.291 61.579 61.300 -0.021 0.000 1.398 371 I CB 0.782 38.767 38.000 -0.025 0.000 1.403 371 I HN -0.007 nan 8.210 nan 0.000 0.530 372 S N 4.311 119.968 115.700 -0.071 0.000 2.536 372 S HA 0.587 5.056 4.470 -0.001 0.000 0.298 372 S C -0.128 174.394 174.600 -0.129 0.000 1.083 372 S CA -0.699 57.426 58.200 -0.125 0.000 0.995 372 S CB 1.424 64.545 63.200 -0.131 0.000 1.058 372 S HN 0.706 nan 8.310 nan 0.000 0.488 373 T N 2.196 116.660 114.554 -0.150 0.000 2.882 373 T HA 0.583 4.932 4.350 -0.001 0.000 0.287 373 T C -2.560 172.046 174.700 -0.157 0.000 1.014 373 T CA -1.379 60.653 62.100 -0.112 0.000 1.049 373 T CB 0.351 69.187 68.868 -0.054 0.000 1.001 373 T HN 0.515 nan 8.240 nan 0.000 0.525 374 P HA 0.168 nan 4.420 nan 0.000 0.272 374 P C -0.054 177.170 177.300 -0.126 0.000 1.230 374 P CA -0.450 62.570 63.100 -0.132 0.000 0.788 374 P CB 0.315 31.974 31.700 -0.068 0.000 0.949 375 E N 1.009 121.133 120.200 -0.127 0.000 2.502 375 E HA 0.026 4.375 4.350 -0.001 0.000 0.261 375 E C -0.593 175.962 176.600 -0.075 0.000 0.974 375 E CA 0.089 56.423 56.400 -0.110 0.000 0.936 375 E CB -0.016 29.640 29.700 -0.073 0.000 0.926 375 E HN 0.281 nan 8.360 nan 0.000 0.459 376 I N 4.336 124.851 120.570 -0.092 0.000 2.412 376 I HA 0.275 4.445 4.170 -0.001 0.000 0.296 376 I C -0.004 176.103 176.117 -0.017 0.000 0.987 376 I CA -0.495 60.786 61.300 -0.033 0.000 1.180 376 I CB 1.647 39.621 38.000 -0.042 0.000 1.340 376 I HN 0.510 nan 8.210 nan 0.000 0.455 377 N N 6.479 125.197 118.700 0.029 0.000 2.258 377 N HA 0.626 5.365 4.740 -0.001 0.000 0.299 377 N C -1.310 174.241 175.510 0.068 0.000 1.047 377 N CA -0.659 52.412 53.050 0.036 0.000 0.814 377 N CB 2.500 41.005 38.487 0.030 0.000 1.413 377 N HN 0.359 nan 8.380 nan 0.000 0.478 378 I N 1.667 122.280 120.570 0.072 0.000 2.410 378 I HA 0.187 4.357 4.170 -0.001 0.000 0.286 378 I C -0.145 176.003 176.117 0.053 0.000 1.009 378 I CA -0.513 60.837 61.300 0.084 0.000 1.111 378 I CB 1.905 39.979 38.000 0.124 0.000 1.262 378 I HN 0.328 nan 8.210 nan 0.000 0.443 379 T N 6.219 120.799 114.554 0.044 0.000 2.814 379 T HA 0.336 4.685 4.350 -0.001 0.000 0.297 379 T C 0.628 175.342 174.700 0.023 0.000 0.956 379 T CA -0.380 61.736 62.100 0.028 0.000 1.123 379 T CB 1.037 69.921 68.868 0.027 0.000 0.902 379 T HN 0.481 nan 8.240 nan 0.000 0.528 380 V N 1.254 121.172 119.914 0.007 0.000 6.652 380 V HA 0.842 4.961 4.120 -0.001 0.000 0.274 380 V C 0.361 176.449 176.094 -0.010 0.000 1.662 380 V CA -0.531 61.770 62.300 0.001 0.000 0.592 380 V CB 0.844 32.664 31.823 -0.006 0.000 1.533 380 V HN 0.838 nan 8.190 nan 0.000 0.374 381 T N -4.375 110.164 114.554 -0.025 0.000 2.916 381 T HA 0.719 5.068 4.350 -0.001 0.000 0.292 381 T C 0.750 175.413 174.700 -0.062 0.000 1.055 381 T CA 0.312 62.396 62.100 -0.026 0.000 1.009 381 T CB 1.568 70.431 68.868 -0.008 0.000 1.118 381 T HN 1.232 nan 8.240 nan 0.000 0.497 382 E N 0.578 120.749 120.200 -0.048 0.000 2.153 382 E HA -0.122 4.227 4.350 -0.001 0.000 0.194 382 E C 1.340 177.901 176.600 -0.064 0.000 0.988 382 E CA 1.616 57.973 56.400 -0.072 0.000 0.811 382 E CB -0.868 28.825 29.700 -0.013 0.000 0.746 382 E HN 0.804 nan 8.360 nan 0.000 0.466 383 D N -0.883 119.510 120.400 -0.012 0.000 2.339 383 D HA 0.021 4.660 4.640 -0.001 0.000 0.217 383 D C 1.774 178.090 176.300 0.027 0.000 1.050 383 D CA 1.181 55.200 54.000 0.032 0.000 0.856 383 D CB 0.709 41.532 40.800 0.039 0.000 0.922 383 D HN 0.513 nan 8.370 nan 0.000 0.518 384 S N -0.366 115.324 115.700 -0.016 0.000 2.549 384 S HA -0.008 4.462 4.470 -0.001 0.000 0.225 384 S C 1.701 176.276 174.600 -0.043 0.000 1.039 384 S CA -0.330 57.866 58.200 -0.005 0.000 0.942 384 S CB 0.213 63.414 63.200 0.002 0.000 0.881 384 S HN 0.171 nan 8.310 nan 0.000 0.503 385 K N 0.753 121.054 120.400 -0.165 0.000 2.063 385 K HA -0.074 4.245 4.320 -0.001 0.000 0.208 385 K C 1.295 177.785 176.600 -0.184 0.000 1.048 385 K CA 1.483 57.626 56.287 -0.240 0.000 0.928 385 K CB -0.777 31.475 32.500 -0.414 0.000 0.713 385 K HN 0.346 nan 8.250 nan 0.000 0.442 386 F N 1.885 121.851 119.950 0.027 0.000 2.234 386 F HA 0.071 4.598 4.527 -0.000 0.000 0.299 386 F C 2.747 178.563 175.800 0.028 0.000 1.087 386 F CA 0.732 58.746 58.000 0.023 0.000 1.340 386 F CB -0.708 38.299 39.000 0.013 0.000 1.031 386 F HN 0.153 nan 8.300 nan 0.000 0.500 387 A N 0.225 123.151 122.820 0.176 0.000 1.968 387 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 387 A C 2.252 179.891 177.584 0.092 0.000 1.169 387 A CA 1.154 53.261 52.037 0.117 0.000 0.638 387 A CB -0.991 18.060 19.000 0.086 0.000 0.812 387 A HN 0.358 nan 8.150 nan 0.000 0.446 388 I N -0.018 120.598 120.570 0.077 0.000 2.179 388 I HA -0.233 3.936 4.170 -0.001 0.000 0.242 388 I C 2.117 178.295 176.117 0.102 0.000 1.088 388 I CA 0.887 62.233 61.300 0.077 0.000 1.357 388 I CB -0.267 37.772 38.000 0.064 0.000 1.051 388 I HN 0.226 nan 8.210 nan 0.000 0.409 389 I N 0.799 121.438 120.570 0.116 0.000 2.226 389 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 389 I C 2.456 178.647 176.117 0.123 0.000 1.100 389 I CA 1.661 63.040 61.300 0.132 0.000 1.374 389 I CB -1.236 36.854 38.000 0.150 0.000 1.057 389 I HN 0.318 nan 8.210 nan 0.000 0.413 390 E N 0.871 121.140 120.200 0.116 0.000 2.077 390 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 390 E C 2.340 178.990 176.600 0.082 0.000 0.989 390 E CA 1.460 57.914 56.400 0.091 0.000 0.800 390 E CB -0.141 29.608 29.700 0.082 0.000 0.746 390 E HN 0.492 nan 8.360 nan 0.000 0.452 391 A N 0.908 123.776 122.820 0.080 0.000 1.902 391 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 391 A C 2.165 179.795 177.584 0.077 0.000 1.181 391 A CA 1.052 53.128 52.037 0.066 0.000 0.623 391 A CB -0.587 18.446 19.000 0.055 0.000 0.818 391 A HN 0.137 nan 8.150 nan 0.000 0.443 392 L N -0.929 120.362 121.223 0.114 0.000 2.046 392 L HA -0.253 4.086 4.340 -0.001 0.000 0.208 392 L C 2.874 179.867 176.870 0.205 0.000 1.077 392 L CA 1.614 56.555 54.840 0.169 0.000 0.747 392 L CB -0.557 41.659 42.059 0.262 0.000 0.896 392 L HN 0.471 nan 8.230 nan 0.000 0.432 393 Q N -0.609 119.290 119.800 0.165 0.000 2.170 393 Q HA -0.177 4.162 4.340 -0.001 0.000 0.203 393 Q C 2.350 178.419 176.000 0.114 0.000 0.976 393 Q CA 1.228 57.118 55.803 0.144 0.000 0.858 393 Q CB -0.020 28.774 28.738 0.094 0.000 0.907 393 Q HN 0.426 nan 8.270 nan 0.000 0.433 394 R N -0.016 120.535 120.500 0.085 0.000 2.075 394 R HA -0.062 4.277 4.340 -0.001 0.000 0.226 394 R C 0.938 177.265 176.300 0.045 0.000 1.114 394 R CA 1.234 57.368 56.100 0.057 0.000 0.972 394 R CB 0.284 30.610 30.300 0.043 0.000 0.869 394 R HN 0.244 nan 8.270 nan 0.000 0.437 395 D N -0.541 119.880 120.400 0.034 0.000 2.455 395 D HA 0.132 4.772 4.640 -0.001 0.000 0.228 395 D C 0.121 176.380 176.300 -0.068 0.000 1.070 395 D CA 0.125 54.119 54.000 -0.011 0.000 0.881 395 D CB 0.340 41.128 40.800 -0.019 0.000 1.087 395 D HN 0.081 nan 8.370 nan 0.000 0.498 396 A N 0.783 123.554 122.820 -0.082 0.000 2.386 396 A HA 0.363 4.682 4.320 -0.001 0.000 0.248 396 A C 0.078 177.380 177.584 -0.471 0.000 1.082 396 A CA -0.029 51.791 52.037 -0.360 0.000 0.789 396 A CB 0.494 19.201 19.000 -0.488 0.000 1.025 396 A HN -0.033 nan 8.150 nan 0.000 0.490 397 Q N 0.175 119.564 119.800 -0.685 0.000 2.331 397 Q HA 0.365 4.705 4.340 -0.001 0.000 0.267 397 Q C -1.074 174.527 176.000 -0.666 0.000 1.006 397 Q CA -0.080 55.443 55.803 -0.467 0.000 0.818 397 Q CB 1.599 30.196 28.738 -0.235 0.000 1.276 397 Q HN 0.885 nan 8.270 nan 0.000 0.450 398 W N 1.547 122.861 121.300 0.024 0.000 2.870 398 W HA 0.348 5.007 4.660 -0.002 0.000 0.358 398 W C 0.961 177.594 176.519 0.189 0.000 1.043 398 W CA 0.176 57.566 57.345 0.074 0.000 1.692 398 W CB 0.946 30.435 29.460 0.047 0.000 1.100 398 W HN 0.997 nan 8.180 nan 0.000 0.557 399 G N 1.751 110.708 108.800 0.263 0.000 2.697 399 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.240 399 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.240 399 G C -0.450 174.628 174.900 0.296 0.000 1.346 399 G CA -0.309 44.937 45.100 0.242 0.000 0.887 399 G HN 0.157 nan 8.290 nan 0.000 0.569 400 E N 0.461 120.818 120.200 0.262 0.000 2.324 400 E HA 0.557 4.906 4.350 -0.001 0.000 0.271 400 E C 0.663 177.441 176.600 0.297 0.000 1.028 400 E CA 1.179 57.714 56.400 0.226 0.000 0.890 400 E CB 0.344 30.145 29.700 0.169 0.000 1.004 400 E HN 1.960 nan 8.360 nan 0.000 0.431 401 G N 3.276 112.164 108.800 0.147 0.000 2.338 401 G HA2 0.142 4.101 3.960 -0.001 0.000 0.295 401 G HA3 0.142 4.101 3.960 -0.001 0.000 0.295 401 G C -1.488 173.380 174.900 -0.055 0.000 1.461 401 G CA -1.095 43.996 45.100 -0.016 0.000 0.817 401 G HN 0.465 nan 8.290 nan 0.000 0.556 402 N N 0.578 119.212 118.700 -0.109 0.000 2.437 402 N HA 0.377 5.116 4.740 -0.001 0.000 0.243 402 N C -0.226 175.209 175.510 -0.126 0.000 1.041 402 N CA -0.079 52.925 53.050 -0.077 0.000 0.940 402 N CB 1.332 39.787 38.487 -0.053 0.000 1.133 402 N HN 0.406 nan 8.380 nan 0.000 0.506 403 I N 1.449 121.960 120.570 -0.099 0.000 2.331 403 I HA 0.183 4.352 4.170 -0.001 0.000 0.292 403 I C 0.282 176.334 176.117 -0.108 0.000 0.998 403 I CA -0.136 61.077 61.300 -0.144 0.000 1.267 403 I CB 1.038 38.976 38.000 -0.103 0.000 1.386 403 I HN 0.153 nan 8.210 nan 0.000 0.476 404 T N 3.117 117.590 114.554 -0.135 0.000 2.812 404 T HA 0.295 4.644 4.350 -0.001 0.000 0.282 404 T C 0.584 175.218 174.700 -0.110 0.000 0.990 404 T CA -0.567 61.473 62.100 -0.100 0.000 0.960 404 T CB 1.279 70.089 68.868 -0.097 0.000 0.948 404 T HN 0.744 nan 8.240 nan 0.000 0.438 405 T N 0.048 114.555 114.554 -0.079 0.000 3.228 405 T HA 0.137 4.486 4.350 -0.001 0.000 0.278 405 T C 1.700 176.348 174.700 -0.087 0.000 1.014 405 T CA -0.425 61.633 62.100 -0.070 0.000 0.904 405 T CB -0.560 68.291 68.868 -0.028 0.000 1.110 405 T HN 0.411 nan 8.240 nan 0.000 0.541 406 L N -1.325 119.822 121.223 -0.126 0.000 2.201 406 L HA 0.409 4.748 4.340 -0.001 0.000 0.212 406 L C 0.218 176.911 176.870 -0.296 0.000 1.105 406 L CA 1.201 55.910 54.840 -0.218 0.000 0.775 406 L CB -0.457 41.439 42.059 -0.271 0.000 0.913 406 L HN 0.134 nan 8.230 nan 0.000 0.440 407 D N -0.251 120.018 120.400 -0.219 0.000 2.323 407 D HA 0.463 5.103 4.640 -0.001 0.000 0.242 407 D C 0.474 176.728 176.300 -0.076 0.000 1.347 407 D CA 0.644 54.544 54.000 -0.166 0.000 0.988 407 D CB 0.813 41.483 40.800 -0.218 0.000 1.314 407 D HN 0.450 nan 8.370 nan 0.000 0.564 408 G N 1.532 110.317 108.800 -0.025 0.000 2.527 408 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.268 408 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.268 408 G C -0.863 174.026 174.900 -0.018 0.000 1.175 408 G CA 0.107 45.216 45.100 0.015 0.000 0.962 408 G HN 0.957 nan 8.290 nan 0.000 0.560 409 V N 1.028 120.922 119.914 -0.033 0.000 2.525 409 V HA 0.696 4.816 4.120 -0.001 0.000 0.299 409 V C 0.271 176.274 176.094 -0.152 0.000 1.034 409 V CA -0.189 62.014 62.300 -0.163 0.000 0.863 409 V CB 1.570 33.203 31.823 -0.317 0.000 0.999 409 V HN 0.948 nan 8.190 nan 0.000 0.423 410 R N 3.538 123.943 120.500 -0.158 0.000 2.514 410 R HA 0.854 5.194 4.340 -0.001 0.000 0.301 410 R C -1.791 174.414 176.300 -0.157 0.000 0.962 410 R CA -0.418 55.643 56.100 -0.065 0.000 0.882 410 R CB 2.084 32.358 30.300 -0.042 0.000 1.143 410 R HN 0.514 nan 8.270 nan 0.000 0.452 411 V N 3.340 123.214 119.914 -0.065 0.000 2.531 411 V HA 0.289 4.408 4.120 -0.001 0.000 0.301 411 V C -1.062 174.892 176.094 -0.232 0.000 1.034 411 V CA -0.860 61.281 62.300 -0.264 0.000 0.865 411 V CB 1.886 33.466 31.823 -0.404 0.000 0.995 411 V HN 0.833 nan 8.190 nan 0.000 0.424 412 D N 3.492 123.739 120.400 -0.255 0.000 2.329 412 D HA 0.575 5.215 4.640 -0.001 0.000 0.232 412 D C -0.937 175.255 176.300 -0.180 0.000 1.088 412 D CA -0.068 53.876 54.000 -0.094 0.000 0.835 412 D CB 1.100 41.874 40.800 -0.043 0.000 1.078 412 D HN 0.431 nan 8.370 nan 0.000 0.495 413 Y N 1.874 122.287 120.300 0.188 0.000 2.519 413 Y HA 0.306 4.855 4.550 -0.001 0.000 0.324 413 Y C -1.194 174.780 175.900 0.124 0.000 1.214 413 Y CA -2.234 55.957 58.100 0.151 0.000 1.260 413 Y CB 0.255 38.814 38.460 0.165 0.000 1.311 413 Y HN 0.332 nan 8.280 nan 0.000 0.505 414 P HA -0.138 nan 4.420 nan 0.000 0.218 414 P C 0.828 178.222 177.300 0.157 0.000 1.148 414 P CA 2.464 65.666 63.100 0.169 0.000 0.822 414 P CB 0.194 31.976 31.700 0.136 0.000 0.784 415 K N -0.871 119.636 120.400 0.178 0.000 2.438 415 K HA 0.578 4.897 4.320 -0.001 0.000 0.205 415 K C 0.693 177.388 176.600 0.159 0.000 1.033 415 K CA 0.540 56.907 56.287 0.134 0.000 1.089 415 K CB 0.404 32.955 32.500 0.085 0.000 0.857 415 K HN 0.372 nan 8.250 nan 0.000 0.522 416 G N -0.362 108.590 108.800 0.253 0.000 2.321 416 G HA2 0.506 4.466 3.960 -0.001 0.000 0.296 416 G HA3 0.506 4.466 3.960 -0.001 0.000 0.296 416 G C -1.804 173.374 174.900 0.464 0.000 1.287 416 G CA -0.051 45.213 45.100 0.273 0.000 0.846 416 G HN 0.715 nan 8.290 nan 0.000 0.508 417 W N -0.641 120.775 121.300 0.192 0.000 3.074 417 W HA 0.783 5.443 4.660 -0.001 0.000 0.332 417 W C -0.522 176.060 176.519 0.104 0.000 1.253 417 W CA -1.078 56.364 57.345 0.162 0.000 1.180 417 W CB 1.246 30.718 29.460 0.021 0.000 1.445 417 W HN 1.531 nan 8.180 nan 0.000 0.573 418 G N 1.001 109.909 108.800 0.180 0.000 2.660 418 G HA2 0.706 4.665 3.960 -0.001 0.000 0.294 418 G HA3 0.706 4.665 3.960 -0.001 0.000 0.294 418 G C -2.631 172.080 174.900 -0.314 0.000 1.369 418 G CA -0.971 43.837 45.100 -0.486 0.000 0.912 418 G HN 0.765 nan 8.290 nan 0.000 0.479 419 L N 0.917 121.727 121.223 -0.688 0.000 2.455 419 L HA 0.854 5.194 4.340 -0.001 0.000 0.264 419 L C -1.424 175.296 176.870 -0.249 0.000 0.968 419 L CA -0.945 53.778 54.840 -0.196 0.000 0.827 419 L CB 2.253 44.325 42.059 0.021 0.000 1.317 419 L HN 0.675 nan 8.230 nan 0.000 0.407 420 V N 5.820 125.784 119.914 0.083 0.000 2.638 420 V HA 0.886 5.006 4.120 -0.001 0.000 0.306 420 V C -0.998 175.137 176.094 0.068 0.000 1.052 420 V CA -0.203 62.151 62.300 0.090 0.000 0.885 420 V CB 1.787 33.785 31.823 0.291 0.000 0.999 420 V HN 1.062 nan 8.190 nan 0.000 0.424 421 R N 5.132 125.657 120.500 0.040 0.000 2.764 421 R HA 0.900 5.239 4.340 -0.001 0.000 0.270 421 R C -1.074 175.255 176.300 0.048 0.000 1.014 421 R CA -0.548 55.581 56.100 0.049 0.000 0.904 421 R CB 1.858 32.176 30.300 0.030 0.000 1.236 421 R HN 0.878 nan 8.270 nan 0.000 0.466 422 A N 1.257 124.116 122.820 0.064 0.000 2.328 422 A HA 0.390 4.709 4.320 -0.001 0.000 0.284 422 A C 0.122 177.733 177.584 0.044 0.000 1.160 422 A CA -0.376 51.665 52.037 0.007 0.000 0.818 422 A CB 1.005 19.967 19.000 -0.063 0.000 1.087 422 A HN 0.684 nan 8.150 nan 0.000 0.504 423 S N 1.500 117.207 115.700 0.012 0.000 2.568 423 S HA 0.046 4.515 4.470 -0.001 0.000 0.282 423 S C 0.672 175.289 174.600 0.029 0.000 1.338 423 S CA -0.035 58.197 58.200 0.054 0.000 1.045 423 S CB -0.136 63.091 63.200 0.045 0.000 0.873 423 S HN 0.689 nan 8.310 nan 0.000 0.516 424 N N 1.158 119.883 118.700 0.042 0.000 2.214 424 N HA 0.129 4.868 4.740 -0.001 0.000 0.214 424 N C 0.782 176.211 175.510 -0.135 0.000 1.132 424 N CA 0.338 53.328 53.050 -0.099 0.000 0.856 424 N CB 0.708 38.936 38.487 -0.431 0.000 1.020 424 N HN 0.759 nan 8.380 nan 0.000 0.509 425 T N -4.063 110.497 114.554 0.009 0.000 2.958 425 T HA 0.119 4.469 4.350 -0.001 0.000 0.256 425 T C 0.612 175.352 174.700 0.066 0.000 0.983 425 T CA 0.065 62.202 62.100 0.062 0.000 0.924 425 T CB 0.238 69.201 68.868 0.158 0.000 1.136 425 T HN 0.066 nan 8.240 nan 0.000 0.506 426 T N -0.307 114.274 114.554 0.046 0.000 2.868 426 T HA 0.589 4.938 4.350 -0.001 0.000 0.306 426 T C -3.302 171.395 174.700 -0.006 0.000 1.224 426 T CA -1.656 60.467 62.100 0.038 0.000 1.012 426 T CB 1.980 70.880 68.868 0.054 0.000 1.221 426 T HN -0.173 nan 8.240 nan 0.000 0.499 427 P HA 0.344 nan 4.420 nan 0.000 0.220 427 P C -0.237 177.039 177.300 -0.041 0.000 1.806 427 P CA -0.239 62.834 63.100 -0.046 0.000 0.976 427 P CB -0.430 31.257 31.700 -0.023 0.000 1.952 428 V N -0.885 119.003 119.914 -0.044 0.000 3.007 428 V HA 0.538 4.658 4.120 -0.001 0.000 0.311 428 V C -0.868 175.212 176.094 -0.023 0.000 1.120 428 V CA -1.388 60.902 62.300 -0.016 0.000 0.980 428 V CB 2.405 34.236 31.823 0.013 0.000 1.033 428 V HN -0.074 nan 8.190 nan 0.000 0.429 429 L N 3.018 124.244 121.223 0.005 0.000 2.312 429 L HA 0.676 5.016 4.340 -0.001 0.000 0.281 429 L C -0.443 176.439 176.870 0.020 0.000 1.070 429 L CA -0.747 54.105 54.840 0.021 0.000 0.805 429 L CB 1.647 43.742 42.059 0.059 0.000 1.174 429 L HN 0.547 nan 8.230 nan 0.000 0.434 430 V N 4.596 124.512 119.914 0.003 0.000 2.417 430 V HA 0.489 4.608 4.120 -0.001 0.000 0.291 430 V C -0.150 175.885 176.094 -0.099 0.000 1.024 430 V CA -0.438 61.845 62.300 -0.029 0.000 0.861 430 V CB 1.881 33.701 31.823 -0.005 0.000 0.985 430 V HN 0.452 nan 8.190 nan 0.000 0.436 431 L N 5.734 126.838 121.223 -0.198 0.000 2.370 431 L HA 0.766 5.106 4.340 -0.001 0.000 0.266 431 L C -0.108 176.413 176.870 -0.582 0.000 1.002 431 L CA -0.469 54.100 54.840 -0.451 0.000 0.818 431 L CB 2.123 43.833 42.059 -0.582 0.000 1.325 431 L HN 0.456 nan 8.230 nan 0.000 0.418 432 R N 1.566 121.528 120.500 -0.896 0.000 2.725 432 R HA 0.710 5.049 4.340 -0.001 0.000 0.277 432 R C -1.814 173.560 176.300 -1.542 0.000 0.987 432 R CA -0.729 54.837 56.100 -0.890 0.000 0.901 432 R CB 2.442 32.451 30.300 -0.485 0.000 1.207 432 R HN 0.370 nan 8.270 nan 0.000 0.463 433 F N 0.253 119.741 119.950 -0.769 0.000 2.578 433 F HA 0.456 4.982 4.527 -0.001 0.000 0.311 433 F C 0.168 175.483 175.800 -0.808 0.000 1.094 433 F CA -0.668 56.816 58.000 -0.860 0.000 0.923 433 F CB 2.374 41.036 39.000 -0.563 0.000 1.230 433 F HN 0.204 nan 8.300 nan 0.000 0.450 434 E N 1.296 121.038 120.200 -0.763 0.000 2.356 434 E HA 0.868 5.218 4.350 -0.001 0.000 0.275 434 E C -1.389 175.072 176.600 -0.231 0.000 0.904 434 E CA -1.177 54.952 56.400 -0.452 0.000 0.757 434 E CB 3.077 32.518 29.700 -0.431 0.000 1.232 434 E HN 0.735 nan 8.360 nan 0.000 0.442 435 A N 1.471 124.244 122.820 -0.077 0.000 2.586 435 A HA 0.358 4.677 4.320 -0.001 0.000 0.290 435 A C -0.459 177.137 177.584 0.021 0.000 1.086 435 A CA -0.568 51.470 52.037 0.000 0.000 0.665 435 A CB 1.119 20.109 19.000 -0.016 0.000 1.279 435 A HN 0.551 nan 8.150 nan 0.000 0.423 436 D N 0.491 120.915 120.400 0.041 0.000 2.144 436 D HA 0.031 4.670 4.640 -0.001 0.000 0.199 436 D C 1.088 177.398 176.300 0.017 0.000 0.984 436 D CA 2.547 56.568 54.000 0.036 0.000 0.834 436 D CB 0.027 40.853 40.800 0.042 0.000 0.955 436 D HN 0.841 nan 8.370 nan 0.000 0.465 437 T N -3.146 111.412 114.554 0.006 0.000 2.896 437 T HA 0.306 4.655 4.350 -0.001 0.000 0.297 437 T C 0.810 175.498 174.700 -0.019 0.000 1.108 437 T CA -0.842 61.255 62.100 -0.004 0.000 1.004 437 T CB 2.425 71.292 68.868 -0.003 0.000 1.159 437 T HN -0.309 nan 8.240 nan 0.000 0.499 438 E N 0.795 120.982 120.200 -0.022 0.000 2.118 438 E HA -0.134 4.215 4.350 -0.001 0.000 0.195 438 E C 2.501 179.078 176.600 -0.039 0.000 0.992 438 E CA 1.954 58.334 56.400 -0.032 0.000 0.804 438 E CB -0.668 29.016 29.700 -0.027 0.000 0.741 438 E HN 0.948 nan 8.360 nan 0.000 0.458 439 E N 1.489 121.671 120.200 -0.030 0.000 2.051 439 E HA -0.236 4.113 4.350 -0.001 0.000 0.192 439 E C 1.856 178.431 176.600 -0.043 0.000 0.991 439 E CA 1.696 58.076 56.400 -0.033 0.000 0.799 439 E CB -0.602 29.084 29.700 -0.023 0.000 0.748 439 E HN 0.261 nan 8.360 nan 0.000 0.449 440 E N -0.311 119.868 120.200 -0.037 0.000 2.106 440 E HA -0.051 4.298 4.350 -0.001 0.000 0.192 440 E C 1.959 178.519 176.600 -0.065 0.000 0.984 440 E CA 0.947 57.321 56.400 -0.044 0.000 0.806 440 E CB -0.347 29.343 29.700 -0.016 0.000 0.750 440 E HN 0.411 nan 8.360 nan 0.000 0.458 441 L N 0.965 122.147 121.223 -0.069 0.000 2.013 441 L HA -0.184 4.156 4.340 -0.001 0.000 0.212 441 L C 2.257 179.036 176.870 -0.152 0.000 1.073 441 L CA 2.255 57.031 54.840 -0.108 0.000 0.753 441 L CB -0.601 41.400 42.059 -0.098 0.000 0.890 441 L HN 0.185 nan 8.230 nan 0.000 0.432 442 E N -0.489 119.643 120.200 -0.112 0.000 2.106 442 E HA -0.231 4.118 4.350 -0.001 0.000 0.192 442 E C 2.403 178.943 176.600 -0.099 0.000 0.984 442 E CA 1.215 57.550 56.400 -0.109 0.000 0.806 442 E CB -0.225 29.430 29.700 -0.074 0.000 0.750 442 E HN 0.403 nan 8.360 nan 0.000 0.458 443 R N 0.024 120.472 120.500 -0.086 0.000 2.073 443 R HA -0.087 4.252 4.340 -0.001 0.000 0.234 443 R C 2.328 178.586 176.300 -0.070 0.000 1.134 443 R CA 1.685 57.738 56.100 -0.077 0.000 0.952 443 R CB -0.351 29.895 30.300 -0.091 0.000 0.850 443 R HN 0.275 nan 8.270 nan 0.000 0.433 444 I N 0.872 121.387 120.570 -0.092 0.000 2.252 444 I HA -0.265 3.904 4.170 -0.001 0.000 0.245 444 I C 2.310 178.442 176.117 0.025 0.000 1.102 444 I CA 1.409 62.716 61.300 0.012 0.000 1.385 444 I CB -0.225 37.806 38.000 0.052 0.000 1.064 444 I HN 0.161 nan 8.210 nan 0.000 0.414 445 K N 0.282 120.490 120.400 -0.320 0.000 2.063 445 K HA -0.169 4.150 4.320 -0.001 0.000 0.208 445 K C 2.107 178.747 176.600 0.066 0.000 1.048 445 K CA 2.006 58.036 56.287 -0.428 0.000 0.928 445 K CB -0.341 31.910 32.500 -0.415 0.000 0.713 445 K HN 0.317 nan 8.250 nan 0.000 0.442 446 T N 0.928 115.498 114.554 0.027 0.000 2.746 446 T HA -0.108 4.242 4.350 -0.001 0.000 0.267 446 T C 1.988 176.763 174.700 0.126 0.000 1.039 446 T CA 1.139 63.270 62.100 0.051 0.000 1.142 446 T CB -0.185 68.681 68.868 -0.004 0.000 0.866 446 T HN -0.048 nan 8.240 nan 0.000 0.444 447 V N 0.743 120.770 119.914 0.188 0.000 2.287 447 V HA -0.160 3.959 4.120 -0.001 0.000 0.248 447 V C 2.119 178.393 176.094 0.300 0.000 1.053 447 V CA 1.732 64.166 62.300 0.223 0.000 1.027 447 V CB -0.708 31.315 31.823 0.333 0.000 0.646 447 V HN 0.386 nan 8.190 nan 0.000 0.447 448 F N 0.060 120.235 119.950 0.376 0.000 2.163 448 F HA -0.049 4.477 4.527 -0.001 0.000 0.297 448 F C 2.570 178.629 175.800 0.431 0.000 1.094 448 F CA 1.769 60.097 58.000 0.546 0.000 1.290 448 F CB -0.507 38.916 39.000 0.705 0.000 1.017 448 F HN -0.038 nan 8.300 nan 0.000 0.483 449 R N 0.502 121.316 120.500 0.524 0.000 2.083 449 R HA -0.190 4.150 4.340 -0.001 0.000 0.237 449 R C 1.934 178.294 176.300 0.099 0.000 1.137 449 R CA 1.968 58.188 56.100 0.199 0.000 0.951 449 R CB -0.278 29.987 30.300 -0.059 0.000 0.851 449 R HN 0.159 nan 8.270 nan 0.000 0.434 450 N N -0.001 118.738 118.700 0.065 0.000 2.270 450 N HA -0.112 4.627 4.740 -0.001 0.000 0.181 450 N C 1.550 177.024 175.510 -0.060 0.000 1.016 450 N CA 0.855 53.898 53.050 -0.013 0.000 0.870 450 N CB -0.055 38.411 38.487 -0.034 0.000 0.979 450 N HN 0.285 nan 8.380 nan 0.000 0.431 451 Q N 0.517 120.257 119.800 -0.100 0.000 2.187 451 Q HA 0.114 4.453 4.340 -0.001 0.000 0.199 451 Q C 2.294 178.257 176.000 -0.061 0.000 0.957 451 Q CA 0.367 56.033 55.803 -0.229 0.000 0.857 451 Q CB -0.253 28.099 28.738 -0.644 0.000 0.929 451 Q HN 0.403 nan 8.270 nan 0.000 0.453 452 L N 0.610 121.879 121.223 0.077 0.000 2.017 452 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 452 L C 2.262 179.167 176.870 0.057 0.000 1.073 452 L CA 1.107 56.021 54.840 0.123 0.000 0.745 452 L CB -0.319 41.875 42.059 0.225 0.000 0.894 452 L HN 0.100 nan 8.230 nan 0.000 0.432 453 K N -0.009 120.409 120.400 0.030 0.000 2.211 453 K HA -0.064 4.255 4.320 -0.001 0.000 0.203 453 K C 2.069 178.661 176.600 -0.013 0.000 1.050 453 K CA 1.228 57.517 56.287 0.003 0.000 0.945 453 K CB -0.258 32.233 32.500 -0.014 0.000 0.732 453 K HN 0.276 nan 8.250 nan 0.000 0.451 454 A N 0.862 123.664 122.820 -0.031 0.000 1.969 454 A HA -0.080 4.240 4.320 -0.001 0.000 0.218 454 A C 2.439 180.006 177.584 -0.028 0.000 1.169 454 A CA 1.138 53.148 52.037 -0.045 0.000 0.635 454 A CB -0.386 18.564 19.000 -0.084 0.000 0.810 454 A HN 0.045 nan 8.150 nan 0.000 0.445 455 V N -0.065 119.841 119.914 -0.013 0.000 2.323 455 V HA -0.050 4.070 4.120 -0.001 0.000 0.244 455 V C 0.587 176.689 176.094 0.013 0.000 1.041 455 V CA 1.978 64.282 62.300 0.007 0.000 1.025 455 V CB -0.346 31.495 31.823 0.031 0.000 0.656 455 V HN 0.674 nan 8.190 nan 0.000 0.451 456 D N -1.682 118.728 120.400 0.018 0.000 2.365 456 D HA 0.148 4.788 4.640 -0.001 0.000 0.235 456 D C 0.896 177.204 176.300 0.014 0.000 1.368 456 D CA 0.464 54.475 54.000 0.017 0.000 1.001 456 D CB 1.453 42.270 40.800 0.027 0.000 1.364 456 D HN 0.137 nan 8.370 nan 0.000 0.577 457 S N 1.456 117.158 115.700 0.003 0.000 2.500 457 S HA -0.166 4.303 4.470 -0.001 0.000 0.239 457 S C 1.616 176.215 174.600 -0.001 0.000 0.989 457 S CA 1.209 59.407 58.200 -0.003 0.000 0.951 457 S CB -0.276 62.919 63.200 -0.009 0.000 0.759 457 S HN 0.373 nan 8.310 nan 0.000 0.523 458 S N 0.570 116.273 115.700 0.005 0.000 2.558 458 S HA 0.293 4.762 4.470 -0.001 0.000 0.217 458 S C 0.547 175.155 174.600 0.013 0.000 0.975 458 S CA -0.558 57.646 58.200 0.006 0.000 0.912 458 S CB -0.697 62.507 63.200 0.008 0.000 0.776 458 S HN 0.495 nan 8.310 nan 0.000 0.526 459 L N 2.742 123.979 121.223 0.023 0.000 2.490 459 L HA 0.255 4.595 4.340 -0.001 0.000 0.274 459 L C -2.250 174.638 176.870 0.030 0.000 1.201 459 L CA -1.802 53.061 54.840 0.038 0.000 0.869 459 L CB 0.073 42.170 42.059 0.063 0.000 1.123 459 L HN 0.090 nan 8.230 nan 0.000 0.484 460 P HA 0.015 nan 4.420 nan 0.000 0.268 460 P C -0.833 176.487 177.300 0.034 0.000 1.205 460 P CA -0.078 63.038 63.100 0.027 0.000 0.771 460 P CB 0.633 32.361 31.700 0.046 0.000 0.858 461 V N 0.994 120.875 119.914 -0.056 0.000 2.315 461 V HA 0.405 4.524 4.120 -0.001 0.000 0.265 461 V C -2.290 173.630 176.094 -0.290 0.000 1.019 461 V CA -1.793 60.372 62.300 -0.225 0.000 0.824 461 V CB 1.209 32.798 31.823 -0.389 0.000 1.072 461 V HN 0.410 nan 8.190 nan 0.000 0.448 462 P HA 0.418 nan 4.420 nan 0.000 0.211 462 P C -0.663 176.742 177.300 0.176 0.000 1.833 462 P CA 0.079 63.208 63.100 0.047 0.000 0.938 462 P CB -0.652 31.116 31.700 0.113 0.000 1.808 463 F N 0.000 119.962 119.950 0.020 0.000 2.286 463 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 463 F CA 0.000 57.997 58.000 -0.006 0.000 1.383 463 F CB 0.000 39.026 39.000 0.043 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574