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 1k35_1_A DATA FIRST_RESID 9 DATA SEQUENCE LPASIFRAYD IRGVVGDTLT AETAYWIGRA IGSESLARGE PCVAVGRDGR DATA SEQUENCE LSGPELVKQL IQGLVDCGCQ VSDVGXVPTP VLYYAANVLE GKSGVXLTGX DATA SEQUENCE HNPPDYNGFK IVVAGETLAN EQIQALRERI EKNDLASGVG SVEQVDILPR DATA SEQUENCE YFKQIRDDIA XAKPXKVVVD CGNGVAGVIA PQLIEALGCS VIPLYCEVDG DATA SEQUENCE NFPNHHPDPG KPENLKDLIA KVKAENADLG LAFDGDGDRV GVVTNTGTII DATA SEQUENCE YPDRLLXLFA KDVVSRNPGA DIIFDVKCTR RLIALISGYG GRPVXWKTGH DATA SEQUENCE SLIKKKXKET GALLAGEXSG 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 0.000 176.872 176.870 0.004 0.000 1.165 9 L CA 0.000 54.788 54.840 -0.087 0.000 0.813 9 L CB 0.000 42.018 42.059 -0.068 0.000 0.961 10 P HA 0.516 nan 4.420 nan 0.000 0.267 10 P C 1.376 178.765 177.300 0.148 0.000 1.158 10 P CA 1.544 64.679 63.100 0.058 0.000 0.756 10 P CB -0.144 31.570 31.700 0.024 0.000 0.766 11 A N 1.768 124.677 122.820 0.148 0.000 2.171 11 A HA -0.145 4.174 4.320 -0.001 0.000 0.223 11 A C 2.235 179.955 177.584 0.226 0.000 1.166 11 A CA 2.675 54.828 52.037 0.193 0.000 0.668 11 A CB -1.104 17.913 19.000 0.028 0.000 0.807 11 A HN 1.312 nan 8.150 nan 0.000 0.475 12 S N -0.459 115.338 115.700 0.161 0.000 2.650 12 S HA 0.145 4.615 4.470 -0.001 0.000 0.219 12 S C 1.225 175.922 174.600 0.162 0.000 0.960 12 S CA 0.559 58.843 58.200 0.140 0.000 0.925 12 S CB -0.823 62.436 63.200 0.098 0.000 0.775 12 S HN 0.898 nan 8.310 nan 0.000 0.525 13 I N -3.926 116.771 120.570 0.211 0.000 3.883 13 I HA 0.465 4.634 4.170 -0.001 0.000 0.326 13 I C -0.486 175.655 176.117 0.040 0.000 1.283 13 I CA -0.391 60.980 61.300 0.118 0.000 1.161 13 I CB -0.155 37.884 38.000 0.066 0.000 1.012 13 I HN -0.005 nan 8.210 nan 0.000 0.421 14 F N 3.673 123.656 119.950 0.054 0.000 2.425 14 F HA 0.478 5.005 4.527 -0.000 0.000 0.354 14 F C 1.017 176.835 175.800 0.029 0.000 1.162 14 F CA -0.600 57.425 58.000 0.043 0.000 1.250 14 F CB 0.041 39.054 39.000 0.021 0.000 1.579 14 F HN -0.058 nan 8.300 nan 0.000 0.589 15 R N 0.598 121.172 120.500 0.122 0.000 2.611 15 R HA 0.553 4.893 4.340 -0.001 0.000 0.243 15 R C 1.402 177.695 176.300 -0.012 0.000 1.260 15 R CA 0.027 56.156 56.100 0.047 0.000 1.095 15 R CB 0.130 30.445 30.300 0.025 0.000 1.259 15 R HN 0.501 nan 8.270 nan 0.000 0.575 16 A N 0.155 122.862 122.820 -0.188 0.000 1.930 16 A HA -0.070 4.250 4.320 -0.001 0.000 0.215 16 A C 0.998 178.475 177.584 -0.178 0.000 1.176 16 A CA 1.131 52.980 52.037 -0.314 0.000 0.632 16 A CB -0.147 18.449 19.000 -0.673 0.000 0.819 16 A HN 0.651 nan 8.150 nan 0.000 0.445 17 Y N 0.049 120.388 120.300 0.064 0.000 2.500 17 Y HA 0.332 4.881 4.550 -0.001 0.000 0.246 17 Y C -0.092 175.894 175.900 0.143 0.000 1.146 17 Y CA -1.021 57.107 58.100 0.046 0.000 1.230 17 Y CB 0.093 38.521 38.460 -0.054 0.000 1.214 17 Y HN 0.553 nan 8.280 nan 0.000 0.526 18 D N -1.296 119.235 120.400 0.220 0.000 3.010 18 D HA 0.289 4.929 4.640 -0.001 0.000 0.353 18 D C -1.235 175.133 176.300 0.114 0.000 1.415 18 D CA -0.590 53.533 54.000 0.205 0.000 0.864 18 D CB 0.696 41.650 40.800 0.256 0.000 1.445 18 D HN -0.093 nan 8.370 nan 0.000 0.516 19 I N -0.466 120.173 120.570 0.115 0.000 2.466 19 I HA 0.769 4.939 4.170 -0.001 0.000 0.289 19 I C 0.007 176.201 176.117 0.128 0.000 1.026 19 I CA -0.589 60.724 61.300 0.020 0.000 1.078 19 I CB 1.464 39.380 38.000 -0.140 0.000 1.249 19 I HN 0.753 nan 8.210 nan 0.000 0.429 20 R N 3.731 124.287 120.500 0.093 0.000 2.774 20 R HA 0.983 5.322 4.340 -0.001 0.000 0.272 20 R C -0.553 175.820 176.300 0.122 0.000 1.000 20 R CA -0.211 55.964 56.100 0.126 0.000 0.906 20 R CB 1.765 32.156 30.300 0.151 0.000 1.227 20 R HN 1.032 nan 8.270 nan 0.000 0.468 21 G N -0.726 108.147 108.800 0.122 0.000 2.321 21 G HA2 0.484 4.444 3.960 -0.001 0.000 0.296 21 G HA3 0.484 4.444 3.960 -0.001 0.000 0.296 21 G C -1.608 173.197 174.900 -0.159 0.000 1.287 21 G CA 0.122 45.240 45.100 0.030 0.000 0.846 21 G HN 1.119 nan 8.290 nan 0.000 0.508 22 V N 1.383 121.122 119.914 -0.293 0.000 2.432 22 V HA 0.469 4.589 4.120 -0.001 0.000 0.271 22 V C 2.155 178.146 176.094 -0.171 0.000 1.046 22 V CA 0.615 62.678 62.300 -0.396 0.000 0.945 22 V CB 0.599 32.185 31.823 -0.395 0.000 0.992 22 V HN 1.435 nan 8.190 nan 0.000 0.471 23 V N 4.282 124.113 119.914 -0.138 0.000 2.453 23 V HA -0.048 4.072 4.120 -0.001 0.000 0.252 23 V C 1.488 177.559 176.094 -0.039 0.000 1.068 23 V CA 2.462 64.724 62.300 -0.065 0.000 1.070 23 V CB -0.483 31.305 31.823 -0.058 0.000 0.664 23 V HN 0.934 nan 8.190 nan 0.000 0.461 24 G N -0.827 107.941 108.800 -0.053 0.000 4.487 24 G HA2 0.527 4.486 3.960 -0.001 0.000 0.339 24 G HA3 0.527 4.486 3.960 -0.001 0.000 0.339 24 G C -0.420 174.459 174.900 -0.034 0.000 1.482 24 G CA 0.743 45.825 45.100 -0.029 0.000 1.069 24 G HN 0.483 nan 8.290 nan 0.000 0.515 25 D N -0.208 120.175 120.400 -0.028 0.000 5.361 25 D HA -0.114 4.526 4.640 -0.001 0.000 0.348 25 D C 2.276 178.572 176.300 -0.006 0.000 1.896 25 D CA 0.871 54.856 54.000 -0.025 0.000 1.013 25 D CB -0.438 40.329 40.800 -0.054 0.000 1.661 25 D HN 0.133 nan 8.370 nan 0.000 0.702 26 T N -0.073 114.474 114.554 -0.013 0.000 2.802 26 T HA -0.088 4.261 4.350 -0.001 0.000 0.269 26 T C 1.115 175.842 174.700 0.045 0.000 1.062 26 T CA 1.165 63.276 62.100 0.020 0.000 1.133 26 T CB -0.048 68.830 68.868 0.017 0.000 0.852 26 T HN 0.215 nan 8.240 nan 0.000 0.485 27 L N 2.360 123.601 121.223 0.030 0.000 2.342 27 L HA 0.589 4.929 4.340 -0.001 0.000 0.276 27 L C -0.301 176.608 176.870 0.065 0.000 0.997 27 L CA -0.453 54.430 54.840 0.071 0.000 0.838 27 L CB 1.578 43.682 42.059 0.075 0.000 1.224 27 L HN 0.379 nan 8.230 nan 0.000 0.416 28 T N 1.221 115.834 114.554 0.097 0.000 2.926 28 T HA 0.725 5.075 4.350 -0.001 0.000 0.289 28 T C 1.197 175.978 174.700 0.134 0.000 1.054 28 T CA -0.246 61.908 62.100 0.090 0.000 1.015 28 T CB 1.461 70.376 68.868 0.077 0.000 1.167 28 T HN 0.616 nan 8.240 nan 0.000 0.526 29 A N 0.464 123.352 122.820 0.112 0.000 1.896 29 A HA -0.223 4.096 4.320 -0.001 0.000 0.220 29 A C 2.173 179.873 177.584 0.193 0.000 1.206 29 A CA 2.428 54.544 52.037 0.130 0.000 0.647 29 A CB -1.386 17.664 19.000 0.084 0.000 0.828 29 A HN 1.020 nan 8.150 nan 0.000 0.455 30 E N -1.492 118.828 120.200 0.201 0.000 2.065 30 E HA -0.280 4.069 4.350 -0.001 0.000 0.201 30 E C 2.354 179.249 176.600 0.492 0.000 1.016 30 E CA 2.197 58.792 56.400 0.325 0.000 0.818 30 E CB -0.445 29.427 29.700 0.287 0.000 0.749 30 E HN 0.709 nan 8.360 nan 0.000 0.453 31 T N 0.162 114.923 114.554 0.346 0.000 2.759 31 T HA -0.085 4.265 4.350 -0.001 0.000 0.269 31 T C 1.900 176.775 174.700 0.293 0.000 1.042 31 T CA 2.287 64.584 62.100 0.328 0.000 1.140 31 T CB -0.453 68.541 68.868 0.210 0.000 0.864 31 T HN 0.239 nan 8.240 nan 0.000 0.455 32 A N -0.215 122.770 122.820 0.275 0.000 1.933 32 A HA 0.070 4.389 4.320 -0.001 0.000 0.218 32 A C 2.259 179.920 177.584 0.128 0.000 1.175 32 A CA 1.890 54.085 52.037 0.264 0.000 0.628 32 A CB -0.847 18.373 19.000 0.368 0.000 0.814 32 A HN 0.747 nan 8.150 nan 0.000 0.444 33 Y N -0.805 119.517 120.300 0.037 0.000 2.163 33 Y HA -0.209 4.341 4.550 -0.001 0.000 0.288 33 Y C 1.778 177.544 175.900 -0.223 0.000 1.136 33 Y CA 1.825 59.828 58.100 -0.162 0.000 1.147 33 Y CB -0.485 37.761 38.460 -0.357 0.000 0.987 33 Y HN 0.425 nan 8.280 nan 0.000 0.509 34 W N -0.094 121.172 121.300 -0.057 0.000 2.937 34 W HA 0.086 4.746 4.660 -0.001 0.000 0.245 34 W C 1.810 178.237 176.519 -0.153 0.000 1.306 34 W CA 0.393 57.658 57.345 -0.132 0.000 1.470 34 W CB -0.308 29.191 29.460 0.066 0.000 1.132 34 W HN 0.067 nan 8.180 nan 0.000 0.675 35 I N -0.459 120.086 120.570 -0.042 0.000 2.731 35 I HA 0.045 4.215 4.170 -0.001 0.000 0.260 35 I C 2.627 178.586 176.117 -0.264 0.000 1.138 35 I CA 1.127 62.309 61.300 -0.196 0.000 1.461 35 I CB -0.697 36.978 38.000 -0.542 0.000 1.128 35 I HN 0.019 nan 8.210 nan 0.000 0.438 36 G N 0.438 109.068 108.800 -0.284 0.000 2.443 36 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.219 36 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.219 36 G C 1.706 176.463 174.900 -0.240 0.000 1.131 36 G CA 0.456 45.421 45.100 -0.225 0.000 0.775 36 G HN 0.144 nan 8.290 nan 0.000 0.547 37 R N 0.782 121.082 120.500 -0.333 0.000 2.062 37 R HA 0.220 4.560 4.340 -0.001 0.000 0.229 37 R C 2.850 179.075 176.300 -0.125 0.000 1.128 37 R CA 1.530 57.457 56.100 -0.289 0.000 0.960 37 R CB -0.736 29.328 30.300 -0.393 0.000 0.855 37 R HN 0.208 nan 8.270 nan 0.000 0.432 38 A N 0.689 123.463 122.820 -0.076 0.000 1.865 38 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 38 A C 2.243 179.808 177.584 -0.031 0.000 1.191 38 A CA 1.788 53.815 52.037 -0.018 0.000 0.623 38 A CB -0.779 18.243 19.000 0.036 0.000 0.826 38 A HN 0.338 nan 8.150 nan 0.000 0.444 39 I N -0.250 120.286 120.570 -0.057 0.000 2.248 39 I HA -0.257 3.913 4.170 -0.001 0.000 0.248 39 I C 2.623 178.718 176.117 -0.037 0.000 1.107 39 I CA 1.253 62.528 61.300 -0.041 0.000 1.373 39 I CB -0.659 37.308 38.000 -0.054 0.000 1.055 39 I HN 0.432 nan 8.210 nan 0.000 0.418 40 G N -0.065 108.701 108.800 -0.057 0.000 2.408 40 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.217 40 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.217 40 G C 1.739 176.618 174.900 -0.034 0.000 1.150 40 G CA 0.808 45.879 45.100 -0.049 0.000 0.776 40 G HN 0.386 nan 8.290 nan 0.000 0.542 41 S N 0.799 116.479 115.700 -0.033 0.000 2.345 41 S HA -0.100 4.370 4.470 -0.001 0.000 0.220 41 S C 2.137 176.731 174.600 -0.011 0.000 1.031 41 S CA 1.499 59.687 58.200 -0.019 0.000 0.996 41 S CB -0.256 62.936 63.200 -0.012 0.000 0.882 41 S HN 0.469 nan 8.310 nan 0.000 0.445 42 E N 1.859 122.055 120.200 -0.008 0.000 2.110 42 E HA -0.109 4.241 4.350 -0.001 0.000 0.193 42 E C 2.119 178.717 176.600 -0.004 0.000 0.988 42 E CA 1.441 57.840 56.400 -0.002 0.000 0.804 42 E CB -0.575 29.128 29.700 0.006 0.000 0.745 42 E HN 0.344 nan 8.360 nan 0.000 0.458 43 S N -0.908 114.787 115.700 -0.008 0.000 2.382 43 S HA -0.070 4.400 4.470 -0.001 0.000 0.228 43 S C 1.894 176.488 174.600 -0.010 0.000 1.027 43 S CA 1.083 59.278 58.200 -0.009 0.000 0.991 43 S CB -0.283 62.910 63.200 -0.012 0.000 0.823 43 S HN 0.363 nan 8.310 nan 0.000 0.469 44 L N 1.075 122.291 121.223 -0.012 0.000 2.056 44 L HA -0.012 4.327 4.340 -0.001 0.000 0.207 44 L C 2.952 179.817 176.870 -0.008 0.000 1.078 44 L CA 1.173 56.006 54.840 -0.011 0.000 0.749 44 L CB -0.690 41.362 42.059 -0.012 0.000 0.901 44 L HN 0.404 nan 8.230 nan 0.000 0.433 45 A N 0.010 122.826 122.820 -0.007 0.000 2.032 45 A HA -0.189 4.131 4.320 -0.001 0.000 0.221 45 A C 2.125 179.706 177.584 -0.005 0.000 1.165 45 A CA 1.428 53.463 52.037 -0.005 0.000 0.645 45 A CB -0.445 18.553 19.000 -0.003 0.000 0.807 45 A HN 0.400 nan 8.150 nan 0.000 0.453 46 R N -1.436 119.061 120.500 -0.006 0.000 2.388 46 R HA 0.255 4.595 4.340 -0.001 0.000 0.247 46 R C 0.982 177.278 176.300 -0.008 0.000 0.931 46 R CA 0.476 56.573 56.100 -0.006 0.000 1.082 46 R CB -0.038 30.259 30.300 -0.006 0.000 1.135 46 R HN 0.665 nan 8.270 nan 0.000 0.525 47 G N 2.143 110.938 108.800 -0.008 0.000 2.160 47 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.244 47 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.244 47 G C -0.297 174.596 174.900 -0.011 0.000 1.022 47 G CA 0.232 45.326 45.100 -0.009 0.000 0.741 47 G HN 0.333 nan 8.290 nan 0.000 0.508 48 E N 0.039 120.232 120.200 -0.012 0.000 2.267 48 E HA 0.609 4.959 4.350 -0.001 0.000 0.248 48 E C -1.409 175.182 176.600 -0.015 0.000 0.899 48 E CA -2.299 54.092 56.400 -0.015 0.000 0.764 48 E CB 1.576 31.267 29.700 -0.016 0.000 1.227 48 E HN 0.124 nan 8.360 nan 0.000 0.421 49 P HA 0.024 nan 4.420 nan 0.000 0.219 49 P C -0.158 177.132 177.300 -0.018 0.000 1.154 49 P CA 0.187 63.278 63.100 -0.016 0.000 0.826 49 P CB 0.279 31.971 31.700 -0.014 0.000 0.795 50 C N 1.379 120.667 119.300 -0.020 0.000 2.540 50 C HA 0.316 4.775 4.460 -0.001 0.000 0.377 50 C C 0.528 175.503 174.990 -0.025 0.000 1.274 50 C CA -0.237 58.767 59.018 -0.023 0.000 1.718 50 C CB -1.316 26.408 27.740 -0.026 0.000 2.391 50 C HN 0.004 nan 8.230 nan 0.000 0.565 51 V N 3.647 123.547 119.914 -0.023 0.000 2.555 51 V HA 0.765 4.884 4.120 -0.001 0.000 0.302 51 V C 0.459 176.539 176.094 -0.022 0.000 1.038 51 V CA -0.379 61.908 62.300 -0.021 0.000 0.887 51 V CB 1.662 33.476 31.823 -0.014 0.000 0.991 51 V HN 0.987 nan 8.190 nan 0.000 0.434 52 A N 3.951 126.755 122.820 -0.027 0.000 2.282 52 A HA 0.922 5.241 4.320 -0.001 0.000 0.319 52 A C -0.733 176.840 177.584 -0.018 0.000 1.121 52 A CA -0.542 51.477 52.037 -0.031 0.000 0.836 52 A CB 1.410 20.379 19.000 -0.050 0.000 1.146 52 A HN 0.788 nan 8.150 nan 0.000 0.494 53 V N 0.205 120.106 119.914 -0.022 0.000 2.733 53 V HA 0.745 4.865 4.120 -0.001 0.000 0.306 53 V C 0.325 176.397 176.094 -0.036 0.000 1.084 53 V CA 0.080 62.371 62.300 -0.014 0.000 0.905 53 V CB 1.853 33.677 31.823 0.001 0.000 1.010 53 V HN 1.426 nan 8.190 nan 0.000 0.424 54 G N 2.476 111.245 108.800 -0.051 0.000 2.660 54 G HA2 0.933 4.893 3.960 -0.001 0.000 0.294 54 G HA3 0.933 4.893 3.960 -0.001 0.000 0.294 54 G C -0.938 173.914 174.900 -0.081 0.000 1.369 54 G CA -0.144 44.911 45.100 -0.075 0.000 0.912 54 G HN 1.039 nan 8.290 nan 0.000 0.479 55 R N -0.073 120.377 120.500 -0.082 0.000 2.855 55 R HA 0.852 5.192 4.340 -0.001 0.000 0.266 55 R C -0.160 176.090 176.300 -0.083 0.000 1.034 55 R CA -0.030 56.018 56.100 -0.087 0.000 0.944 55 R CB 0.754 31.009 30.300 -0.076 0.000 1.219 55 R HN 0.978 nan 8.270 nan 0.000 0.474 56 D N -1.031 119.323 120.400 -0.077 0.000 2.539 56 D HA 0.434 5.073 4.640 -0.001 0.000 0.280 56 D C 0.963 177.238 176.300 -0.043 0.000 1.208 56 D CA 0.189 54.158 54.000 -0.052 0.000 1.088 56 D CB 0.630 41.413 40.800 -0.030 0.000 1.149 56 D HN 0.690 nan 8.370 nan 0.000 0.596 57 G N -0.839 107.948 108.800 -0.021 0.000 3.591 57 G HA2 0.142 4.102 3.960 -0.001 0.000 0.282 57 G HA3 0.142 4.102 3.960 -0.001 0.000 0.282 57 G C 0.289 175.138 174.900 -0.085 0.000 1.238 57 G CA -0.486 44.590 45.100 -0.040 0.000 0.993 57 G HN 0.184 nan 8.290 nan 0.000 0.542 58 R N -0.559 119.893 120.500 -0.080 0.000 2.615 58 R HA 0.359 4.698 4.340 -0.001 0.000 0.270 58 R C 1.376 177.601 176.300 -0.126 0.000 1.081 58 R CA -0.509 55.517 56.100 -0.123 0.000 1.154 58 R CB 0.881 31.137 30.300 -0.073 0.000 1.063 58 R HN 0.126 nan 8.270 nan 0.000 0.519 59 L N 0.434 121.569 121.223 -0.147 0.000 2.072 59 L HA -0.139 4.201 4.340 -0.001 0.000 0.205 59 L C 1.838 178.659 176.870 -0.081 0.000 1.079 59 L CA 1.281 56.051 54.840 -0.116 0.000 0.752 59 L CB -0.271 41.714 42.059 -0.123 0.000 0.906 59 L HN 0.678 nan 8.230 nan 0.000 0.436 60 S N 0.083 115.737 115.700 -0.077 0.000 2.515 60 S HA -0.031 4.439 4.470 -0.001 0.000 0.231 60 S C 1.952 176.517 174.600 -0.059 0.000 0.987 60 S CA 0.719 58.883 58.200 -0.060 0.000 0.936 60 S CB -0.335 62.831 63.200 -0.058 0.000 0.766 60 S HN 0.546 nan 8.310 nan 0.000 0.528 61 G N 3.190 111.948 108.800 -0.069 0.000 2.394 61 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.214 61 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.214 61 G C -0.365 174.505 174.900 -0.051 0.000 1.176 61 G CA 0.473 45.531 45.100 -0.071 0.000 0.786 61 G HN 0.481 nan 8.290 nan 0.000 0.533 62 P HA -0.159 nan 4.420 nan 0.000 0.217 62 P C 1.324 178.609 177.300 -0.024 0.000 1.151 62 P CA 1.763 64.842 63.100 -0.035 0.000 0.849 62 P CB 0.174 31.853 31.700 -0.035 0.000 0.787 63 E N -0.534 119.654 120.200 -0.021 0.000 2.014 63 E HA -0.088 4.262 4.350 -0.001 0.000 0.190 63 E C 2.301 178.902 176.600 0.003 0.000 0.980 63 E CA 0.465 56.860 56.400 -0.008 0.000 0.807 63 E CB -0.799 28.897 29.700 -0.007 0.000 0.770 63 E HN -0.144 nan 8.360 nan 0.000 0.451 64 L N 1.057 122.280 121.223 0.000 0.000 1.987 64 L HA -0.310 4.030 4.340 -0.001 0.000 0.230 64 L C 2.643 179.532 176.870 0.031 0.000 1.089 64 L CA 2.348 57.200 54.840 0.019 0.000 0.802 64 L CB -1.864 40.179 42.059 -0.027 0.000 0.905 64 L HN 0.325 nan 8.230 nan 0.000 0.441 65 V N -1.037 118.876 119.914 -0.001 0.000 2.265 65 V HA -0.425 3.695 4.120 -0.001 0.000 0.260 65 V C 2.964 179.084 176.094 0.043 0.000 1.084 65 V CA 3.832 66.141 62.300 0.015 0.000 1.086 65 V CB -2.163 29.656 31.823 -0.006 0.000 0.704 65 V HN 0.572 nan 8.190 nan 0.000 0.457 66 K N -0.496 119.922 120.400 0.030 0.000 2.015 66 K HA -0.355 3.965 4.320 -0.001 0.000 0.220 66 K C 2.054 178.693 176.600 0.065 0.000 1.055 66 K CA 2.511 58.819 56.287 0.035 0.000 0.951 66 K CB -1.350 31.163 32.500 0.021 0.000 0.725 66 K HN 0.625 nan 8.250 nan 0.000 0.449 67 Q N -0.295 119.557 119.800 0.087 0.000 2.226 67 Q HA -0.054 4.286 4.340 -0.001 0.000 0.204 67 Q C 2.173 178.265 176.000 0.154 0.000 0.975 67 Q CA 1.504 57.391 55.803 0.140 0.000 0.866 67 Q CB -0.510 28.320 28.738 0.155 0.000 0.915 67 Q HN 0.626 nan 8.270 nan 0.000 0.440 68 L N -0.356 120.950 121.223 0.138 0.000 2.023 68 L HA -0.053 4.287 4.340 -0.001 0.000 0.205 68 L C 1.906 178.805 176.870 0.048 0.000 1.073 68 L CA 1.484 56.400 54.840 0.126 0.000 0.745 68 L CB -0.587 41.615 42.059 0.239 0.000 0.900 68 L HN 0.100 nan 8.230 nan 0.000 0.435 69 I N -0.316 120.285 120.570 0.052 0.000 2.315 69 I HA -0.237 3.933 4.170 -0.001 0.000 0.248 69 I C 2.539 178.669 176.117 0.021 0.000 1.117 69 I CA 1.201 62.516 61.300 0.024 0.000 1.404 69 I CB -0.502 37.511 38.000 0.022 0.000 1.071 69 I HN 0.391 nan 8.210 nan 0.000 0.419 70 Q N 1.273 121.111 119.800 0.063 0.000 2.170 70 Q HA -0.124 4.216 4.340 -0.001 0.000 0.203 70 Q C 2.212 178.270 176.000 0.098 0.000 0.976 70 Q CA 1.977 57.844 55.803 0.108 0.000 0.858 70 Q CB -0.766 28.063 28.738 0.152 0.000 0.907 70 Q HN 0.483 nan 8.270 nan 0.000 0.433 71 G N -0.080 108.678 108.800 -0.070 0.000 2.432 71 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.219 71 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.219 71 G C 1.308 176.055 174.900 -0.255 0.000 1.135 71 G CA 0.762 45.576 45.100 -0.477 0.000 0.767 71 G HN 0.381 nan 8.290 nan 0.000 0.550 72 L N 0.624 121.775 121.223 -0.121 0.000 2.095 72 L HA -0.029 4.311 4.340 -0.001 0.000 0.204 72 L C 3.107 179.944 176.870 -0.054 0.000 1.080 72 L CA 0.919 55.712 54.840 -0.079 0.000 0.759 72 L CB -0.455 41.579 42.059 -0.042 0.000 0.914 72 L HN 0.238 nan 8.230 nan 0.000 0.439 73 V N -3.375 116.520 119.914 -0.032 0.000 2.427 73 V HA -0.191 3.929 4.120 -0.001 0.000 0.248 73 V C 1.276 177.363 176.094 -0.013 0.000 1.051 73 V CA 1.563 63.854 62.300 -0.015 0.000 1.048 73 V CB -0.764 31.059 31.823 -0.001 0.000 0.666 73 V HN 0.296 nan 8.190 nan 0.000 0.456 74 D N -0.847 119.548 120.400 -0.008 0.000 2.355 74 D HA 0.095 4.735 4.640 -0.001 0.000 0.253 74 D C 1.226 177.508 176.300 -0.030 0.000 1.187 74 D CA 0.698 54.700 54.000 0.003 0.000 0.900 74 D CB -0.136 40.705 40.800 0.067 0.000 0.915 74 D HN 0.596 nan 8.370 nan 0.000 0.516 75 C N -1.754 117.522 119.300 -0.040 0.000 3.294 75 C HA 0.417 4.877 4.460 -0.001 0.000 0.441 75 C C 1.803 176.780 174.990 -0.023 0.000 1.364 75 C CA 0.328 59.323 59.018 -0.039 0.000 2.059 75 C CB 0.372 28.079 27.740 -0.056 0.000 2.925 75 C HN 0.485 nan 8.230 nan 0.000 0.633 76 G N -0.170 108.618 108.800 -0.020 0.000 2.192 76 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.193 76 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.193 76 G C 0.040 174.931 174.900 -0.016 0.000 0.999 76 G CA 0.066 45.157 45.100 -0.014 0.000 0.659 76 G HN 0.446 nan 8.290 nan 0.000 0.503 77 C N 1.546 120.833 119.300 -0.020 0.000 2.689 77 C HA 0.471 4.931 4.460 -0.001 0.000 0.409 77 C C 1.010 175.990 174.990 -0.017 0.000 1.293 77 C CA -0.052 58.954 59.018 -0.020 0.000 2.136 77 C CB 0.649 28.374 27.740 -0.024 0.000 2.719 77 C HN 0.554 nan 8.230 nan 0.000 0.644 78 Q N 1.504 121.294 119.800 -0.016 0.000 2.441 78 Q HA 0.309 4.649 4.340 -0.001 0.000 0.234 78 Q C -0.676 175.315 176.000 -0.016 0.000 1.078 78 Q CA -0.218 55.576 55.803 -0.015 0.000 0.907 78 Q CB 0.601 29.330 28.738 -0.015 0.000 1.269 78 Q HN 0.578 nan 8.270 nan 0.000 0.502 79 V N 2.074 121.979 119.914 -0.014 0.000 2.508 79 V HA 0.043 4.163 4.120 -0.001 0.000 0.281 79 V C 0.441 176.526 176.094 -0.014 0.000 1.041 79 V CA -0.003 62.289 62.300 -0.014 0.000 1.016 79 V CB 1.292 33.109 31.823 -0.010 0.000 0.984 79 V HN 0.608 nan 8.190 nan 0.000 0.478 80 S N 3.796 119.485 115.700 -0.018 0.000 2.434 80 S HA 0.188 4.657 4.470 -0.001 0.000 0.318 80 S C -0.207 174.381 174.600 -0.019 0.000 1.062 80 S CA -0.616 57.573 58.200 -0.020 0.000 1.116 80 S CB 0.070 63.254 63.200 -0.027 0.000 0.977 80 S HN 0.927 nan 8.310 nan 0.000 0.480 81 D N 2.761 123.152 120.400 -0.015 0.000 2.264 81 D HA 0.130 4.769 4.640 -0.001 0.000 0.250 81 D C 0.903 177.192 176.300 -0.018 0.000 1.113 81 D CA -0.687 53.304 54.000 -0.016 0.000 0.871 81 D CB 1.417 42.210 40.800 -0.012 0.000 1.167 81 D HN 0.325 nan 8.370 nan 0.000 0.447 82 V N 0.818 120.717 119.914 -0.025 0.000 3.427 82 V HA 0.484 4.604 4.120 -0.001 0.000 0.305 82 V C 1.065 177.141 176.094 -0.029 0.000 1.412 82 V CA 0.451 62.736 62.300 -0.025 0.000 1.086 82 V CB -0.666 31.138 31.823 -0.031 0.000 0.964 82 V HN 0.908 nan 8.190 nan 0.000 0.439 86 P HA 0.276 nan 4.420 nan 0.000 0.268 86 P C 1.083 178.212 177.300 -0.284 0.000 1.204 86 P CA 0.613 63.589 63.100 -0.207 0.000 0.768 86 P CB 0.732 32.296 31.700 -0.226 0.000 0.842 87 T N 5.091 119.472 114.554 -0.287 0.000 2.594 87 T HA -0.163 4.186 4.350 -0.001 0.000 0.266 87 T C -0.770 173.503 174.700 -0.712 0.000 1.070 87 T CA 2.499 64.310 62.100 -0.481 0.000 1.166 87 T CB -1.788 66.830 68.868 -0.417 0.000 0.862 87 T HN 0.564 nan 8.240 nan 0.000 0.436 88 P HA 0.027 nan 4.420 nan 0.000 0.222 88 P C 1.553 178.635 177.300 -0.364 0.000 1.147 88 P CA 0.632 63.578 63.100 -0.256 0.000 0.790 88 P CB -0.251 31.618 31.700 0.281 0.000 0.780 89 V N 0.892 120.513 119.914 -0.489 0.000 2.323 89 V HA -0.171 3.949 4.120 -0.001 0.000 0.244 89 V C 2.601 178.505 176.094 -0.315 0.000 1.041 89 V CA 1.265 63.212 62.300 -0.589 0.000 1.025 89 V CB -1.227 30.189 31.823 -0.679 0.000 0.656 89 V HN 0.075 nan 8.190 nan 0.000 0.451 90 L N 0.088 121.110 121.223 -0.335 0.000 1.990 90 L HA -0.234 4.105 4.340 -0.001 0.000 0.213 90 L C 2.447 179.180 176.870 -0.227 0.000 1.072 90 L CA 2.412 57.101 54.840 -0.252 0.000 0.755 90 L CB -1.239 40.670 42.059 -0.250 0.000 0.889 90 L HN 0.425 nan 8.230 nan 0.000 0.432 91 Y N -1.543 118.511 120.300 -0.411 0.000 2.256 91 Y HA -0.360 4.189 4.550 -0.001 0.000 0.288 91 Y C 2.654 178.095 175.900 -0.765 0.000 1.155 91 Y CA 1.263 58.974 58.100 -0.649 0.000 1.203 91 Y CB -0.540 37.265 38.460 -1.090 0.000 0.980 91 Y HN 0.298 nan 8.280 nan 0.000 0.530 92 Y N 0.646 120.561 120.300 -0.642 0.000 2.200 92 Y HA -0.252 4.298 4.550 -0.000 0.000 0.290 92 Y C 2.402 178.069 175.900 -0.389 0.000 1.137 92 Y CA 0.900 58.690 58.100 -0.515 0.000 1.163 92 Y CB -0.657 37.692 38.460 -0.184 0.000 0.988 92 Y HN 0.045 nan 8.280 nan 0.000 0.518 93 A N 0.995 123.659 122.820 -0.261 0.000 1.865 93 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 93 A C 2.401 179.818 177.584 -0.278 0.000 1.191 93 A CA 2.260 54.146 52.037 -0.252 0.000 0.623 93 A CB -1.683 17.245 19.000 -0.121 0.000 0.826 93 A HN 0.656 nan 8.150 nan 0.000 0.444 94 A N -0.659 122.029 122.820 -0.221 0.000 2.186 94 A HA -0.156 4.164 4.320 -0.001 0.000 0.219 94 A C 1.827 179.277 177.584 -0.224 0.000 1.159 94 A CA 1.543 53.474 52.037 -0.177 0.000 0.680 94 A CB -0.557 18.376 19.000 -0.112 0.000 0.787 94 A HN 0.641 nan 8.150 nan 0.000 0.467 95 N N -0.744 117.732 118.700 -0.374 0.000 2.415 95 N HA -0.015 4.724 4.740 -0.001 0.000 0.174 95 N C 1.576 176.850 175.510 -0.393 0.000 1.048 95 N CA 1.526 54.339 53.050 -0.396 0.000 0.895 95 N CB 0.564 38.660 38.487 -0.652 0.000 1.036 95 N HN 0.514 nan 8.380 nan 0.000 0.449 96 V N -1.754 117.852 119.914 -0.514 0.000 3.212 96 V HA 0.276 4.396 4.120 -0.001 0.000 0.244 96 V C 1.444 177.404 176.094 -0.222 0.000 1.151 96 V CA 0.048 62.116 62.300 -0.387 0.000 1.119 96 V CB -0.157 31.309 31.823 -0.595 0.000 0.838 96 V HN -0.095 nan 8.190 nan 0.000 0.470 97 L N 0.594 121.690 121.223 -0.212 0.000 2.348 97 L HA 0.355 4.694 4.340 -0.001 0.000 0.200 97 L C 2.591 179.406 176.870 -0.091 0.000 1.154 97 L CA 1.025 55.792 54.840 -0.122 0.000 0.856 97 L CB -0.272 41.724 42.059 -0.105 0.000 1.297 97 L HN 0.392 nan 8.230 nan 0.000 0.550 98 E N 0.188 120.350 120.200 -0.063 0.000 2.060 98 E HA 0.100 4.450 4.350 -0.001 0.000 0.189 98 E C 1.026 177.598 176.600 -0.048 0.000 0.974 98 E CA 0.617 56.989 56.400 -0.047 0.000 0.808 98 E CB -0.775 28.905 29.700 -0.033 0.000 0.768 98 E HN 0.778 nan 8.360 nan 0.000 0.453 99 G N 0.361 109.131 108.800 -0.049 0.000 2.432 99 G HA2 0.376 4.335 3.960 -0.001 0.000 0.257 99 G HA3 0.376 4.335 3.960 -0.001 0.000 0.257 99 G C 0.353 175.218 174.900 -0.060 0.000 1.238 99 G CA -0.376 44.697 45.100 -0.046 0.000 0.838 99 G HN 0.089 nan 8.290 nan 0.000 0.547 100 K N 1.033 121.403 120.400 -0.050 0.000 2.410 100 K HA 0.184 4.503 4.320 -0.001 0.000 0.200 100 K C 0.608 177.181 176.600 -0.046 0.000 1.023 100 K CA -0.008 56.245 56.287 -0.055 0.000 1.149 100 K CB 0.516 32.991 32.500 -0.042 0.000 0.859 100 K HN 0.308 nan 8.250 nan 0.000 0.514 101 S N -0.184 115.493 115.700 -0.039 0.000 2.638 101 S HA 0.792 5.262 4.470 -0.001 0.000 0.298 101 S C 0.119 174.705 174.600 -0.024 0.000 1.111 101 S CA -0.686 57.499 58.200 -0.024 0.000 1.027 101 S CB 2.103 65.293 63.200 -0.016 0.000 1.064 101 S HN 0.357 nan 8.310 nan 0.000 0.525 102 G N 0.247 109.046 108.800 -0.001 0.000 2.702 102 G HA2 0.573 4.533 3.960 -0.001 0.000 0.296 102 G HA3 0.573 4.533 3.960 -0.001 0.000 0.296 102 G C -1.599 173.331 174.900 0.050 0.000 1.463 102 G CA -0.428 44.678 45.100 0.011 0.000 0.890 102 G HN 0.638 nan 8.290 nan 0.000 0.534 106 T N 2.427 116.848 114.554 -0.221 0.000 2.893 106 T HA 0.782 5.132 4.350 -0.001 0.000 0.337 106 T C -0.653 174.007 174.700 -0.067 0.000 1.587 106 T CA 0.138 62.171 62.100 -0.112 0.000 1.066 106 T CB 1.148 69.978 68.868 -0.064 0.000 1.414 106 T HN 1.055 nan 8.240 nan 0.000 0.488 110 N N 3.409 121.733 118.700 -0.627 0.000 2.297 110 N HA 0.146 4.886 4.740 -0.001 0.000 0.232 110 N C -2.174 173.177 175.510 -0.265 0.000 1.311 110 N CA -0.818 51.880 53.050 -0.587 0.000 0.897 110 N CB 0.317 38.434 38.487 -0.617 0.000 1.137 110 N HN 0.211 nan 8.380 nan 0.000 0.449 111 P HA 0.109 nan 4.420 nan 0.000 0.271 111 P C -1.661 175.756 177.300 0.195 0.000 1.244 111 P CA -0.731 62.386 63.100 0.028 0.000 0.793 111 P CB -0.122 31.711 31.700 0.223 0.000 0.984 112 P HA -0.162 nan 4.420 nan 0.000 0.218 112 P C 0.430 177.760 177.300 0.051 0.000 1.146 112 P CA 1.630 64.753 63.100 0.039 0.000 0.813 112 P CB -0.083 31.568 31.700 -0.081 0.000 0.778 113 D N -2.895 117.576 120.400 0.119 0.000 2.328 113 D HA 0.045 4.684 4.640 -0.001 0.000 0.221 113 D C 0.132 176.415 176.300 -0.028 0.000 1.072 113 D CA 0.253 54.265 54.000 0.020 0.000 0.850 113 D CB -0.118 40.665 40.800 -0.029 0.000 0.922 113 D HN 0.213 nan 8.370 nan 0.000 0.516 114 Y N 0.636 120.929 120.300 -0.013 0.000 2.376 114 Y HA 0.390 4.940 4.550 -0.001 0.000 0.325 114 Y C 0.944 176.822 175.900 -0.037 0.000 1.199 114 Y CA -0.360 57.730 58.100 -0.017 0.000 1.206 114 Y CB 1.105 39.552 38.460 -0.020 0.000 1.229 114 Y HN -0.240 nan 8.280 nan 0.000 0.480 115 N N -0.781 117.969 118.700 0.083 0.000 3.116 115 N HA 0.656 5.396 4.740 -0.001 0.000 0.244 115 N C -0.945 174.521 175.510 -0.074 0.000 1.485 115 N CA 0.118 53.151 53.050 -0.029 0.000 0.884 115 N CB 2.065 40.492 38.487 -0.101 0.000 1.415 115 N HN 0.856 nan 8.380 nan 0.000 0.524 116 G N -0.585 108.065 108.800 -0.249 0.000 2.341 116 G HA2 0.517 4.477 3.960 -0.001 0.000 0.299 116 G HA3 0.517 4.477 3.960 -0.001 0.000 0.299 116 G C -2.223 172.320 174.900 -0.595 0.000 1.274 116 G CA -0.581 44.364 45.100 -0.259 0.000 0.853 116 G HN 0.237 nan 8.290 nan 0.000 0.493 117 F N 0.546 120.498 119.950 0.004 0.000 2.557 117 F HA 0.591 5.118 4.527 -0.000 0.000 0.316 117 F C 0.150 175.984 175.800 0.056 0.000 1.141 117 F CA -0.856 57.151 58.000 0.012 0.000 0.922 117 F CB 2.598 41.587 39.000 -0.020 0.000 1.194 117 F HN 0.101 nan 8.300 nan 0.000 0.443 118 K N 4.045 124.579 120.400 0.222 0.000 2.240 118 K HA 0.698 5.018 4.320 -0.001 0.000 0.271 118 K C -1.174 175.572 176.600 0.244 0.000 1.018 118 K CA -0.603 55.835 56.287 0.250 0.000 0.874 118 K CB 1.718 34.366 32.500 0.247 0.000 1.098 118 K HN 0.443 nan 8.250 nan 0.000 0.458 119 I N 2.697 123.399 120.570 0.220 0.000 2.406 119 I HA 0.234 4.404 4.170 -0.001 0.000 0.290 119 I C -0.618 175.574 176.117 0.124 0.000 0.999 119 I CA -0.824 60.571 61.300 0.158 0.000 1.124 119 I CB 1.907 39.975 38.000 0.112 0.000 1.289 119 I HN 0.179 nan 8.210 nan 0.000 0.441 120 V N 6.871 126.841 119.914 0.092 0.000 2.448 120 V HA 0.564 4.683 4.120 -0.001 0.000 0.295 120 V C -0.438 175.669 176.094 0.021 0.000 1.025 120 V CA -0.672 61.651 62.300 0.039 0.000 0.859 120 V CB 1.971 33.797 31.823 0.006 0.000 0.988 120 V HN 0.426 nan 8.190 nan 0.000 0.431 121 V N 3.669 123.590 119.914 0.012 0.000 2.483 121 V HA 0.673 4.793 4.120 -0.001 0.000 0.297 121 V C 0.611 176.702 176.094 -0.005 0.000 1.027 121 V CA -0.222 62.081 62.300 0.005 0.000 0.855 121 V CB 1.345 33.174 31.823 0.011 0.000 0.995 121 V HN 1.279 nan 8.190 nan 0.000 0.424 122 A N 3.870 126.684 122.820 -0.011 0.000 2.704 122 A HA 0.020 4.340 4.320 -0.001 0.000 0.299 122 A C 1.833 179.406 177.584 -0.017 0.000 1.507 122 A CA 1.608 53.636 52.037 -0.015 0.000 0.776 122 A CB -1.470 17.523 19.000 -0.011 0.000 1.027 122 A HN 2.702 nan 8.150 nan 0.000 0.475 123 G N -1.856 106.930 108.800 -0.023 0.000 2.258 123 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.233 123 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.233 123 G C 0.000 174.886 174.900 -0.024 0.000 1.006 123 G CA 1.073 46.158 45.100 -0.025 0.000 0.620 123 G HN 1.743 nan 8.290 nan 0.000 0.511 124 E N 1.369 121.559 120.200 -0.017 0.000 2.197 124 E HA 0.549 4.899 4.350 -0.001 0.000 0.281 124 E C -0.293 176.304 176.600 -0.006 0.000 0.995 124 E CA -0.288 56.104 56.400 -0.013 0.000 0.808 124 E CB 0.642 30.338 29.700 -0.006 0.000 1.093 124 E HN 0.080 nan 8.360 nan 0.000 0.394 125 T N 5.713 120.261 114.554 -0.010 0.000 2.775 125 T HA 0.150 4.500 4.350 -0.001 0.000 0.287 125 T C 0.506 175.234 174.700 0.046 0.000 0.909 125 T CA -0.288 61.824 62.100 0.018 0.000 1.081 125 T CB -0.246 68.629 68.868 0.012 0.000 0.891 125 T HN 0.387 nan 8.240 nan 0.000 0.544 126 L N 2.705 123.967 121.223 0.066 0.000 2.543 126 L HA 0.367 4.706 4.340 -0.001 0.000 0.285 126 L C 0.706 177.639 176.870 0.105 0.000 1.236 126 L CA -0.090 54.795 54.840 0.076 0.000 0.871 126 L CB -0.122 41.985 42.059 0.080 0.000 1.121 126 L HN 0.697 nan 8.230 nan 0.000 0.501 127 A N 2.436 125.318 122.820 0.102 0.000 2.587 127 A HA 0.574 4.894 4.320 -0.001 0.000 0.293 127 A C 0.009 177.659 177.584 0.111 0.000 1.087 127 A CA -0.640 51.484 52.037 0.145 0.000 0.692 127 A CB 1.419 20.527 19.000 0.180 0.000 1.291 127 A HN 0.829 nan 8.150 nan 0.000 0.407 128 N N -0.600 118.161 118.700 0.102 0.000 1.276 128 N HA -0.387 4.353 4.740 -0.001 0.000 0.137 128 N C 1.401 176.941 175.510 0.051 0.000 0.642 128 N CA 2.862 55.945 53.050 0.055 0.000 0.986 128 N CB -1.164 37.352 38.487 0.050 0.000 1.277 128 N HN 1.430 nan 8.380 nan 0.000 0.495 129 E N 1.292 121.513 120.200 0.035 0.000 2.333 129 E HA -0.159 4.191 4.350 -0.001 0.000 0.198 129 E C 2.010 178.631 176.600 0.035 0.000 1.007 129 E CA 2.059 58.474 56.400 0.024 0.000 0.845 129 E CB -0.661 29.046 29.700 0.012 0.000 0.766 129 E HN 0.657 nan 8.360 nan 0.000 0.507 130 Q N -1.016 118.814 119.800 0.050 0.000 2.187 130 Q HA 0.154 4.494 4.340 -0.001 0.000 0.199 130 Q C 2.327 178.373 176.000 0.077 0.000 0.957 130 Q CA 1.008 56.843 55.803 0.053 0.000 0.857 130 Q CB 0.067 28.837 28.738 0.054 0.000 0.929 130 Q HN 0.626 nan 8.270 nan 0.000 0.453 131 I N 0.027 120.661 120.570 0.107 0.000 2.277 131 I HA -0.232 3.937 4.170 -0.001 0.000 0.243 131 I C 2.187 178.430 176.117 0.209 0.000 1.094 131 I CA 0.848 62.253 61.300 0.175 0.000 1.393 131 I CB -0.032 38.080 38.000 0.187 0.000 1.078 131 I HN 0.190 nan 8.210 nan 0.000 0.417 132 Q N 0.988 120.854 119.800 0.110 0.000 2.084 132 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 132 Q C 2.270 178.244 176.000 -0.044 0.000 0.978 132 Q CA 2.139 57.941 55.803 -0.002 0.000 0.844 132 Q CB -0.436 28.291 28.738 -0.018 0.000 0.898 132 Q HN 0.510 nan 8.270 nan 0.000 0.426 133 A N 0.336 123.156 122.820 -0.000 0.000 1.896 133 A HA -0.272 4.048 4.320 -0.001 0.000 0.220 133 A C 2.052 179.631 177.584 -0.008 0.000 1.206 133 A CA 1.890 53.922 52.037 -0.007 0.000 0.647 133 A CB -1.095 17.912 19.000 0.012 0.000 0.828 133 A HN 0.439 nan 8.150 nan 0.000 0.455 134 L N -1.311 119.940 121.223 0.047 0.000 1.990 134 L HA -0.268 4.072 4.340 -0.001 0.000 0.213 134 L C 2.855 179.745 176.870 0.033 0.000 1.072 134 L CA 2.168 57.062 54.840 0.089 0.000 0.755 134 L CB -0.597 41.587 42.059 0.210 0.000 0.889 134 L HN 0.548 nan 8.230 nan 0.000 0.432 135 R N 0.718 121.119 120.500 -0.166 0.000 2.080 135 R HA -0.210 4.130 4.340 -0.001 0.000 0.236 135 R C 2.150 178.264 176.300 -0.310 0.000 1.137 135 R CA 2.054 57.770 56.100 -0.641 0.000 0.943 135 R CB -0.387 28.988 30.300 -1.541 0.000 0.846 135 R HN 0.393 nan 8.270 nan 0.000 0.431 136 E N 1.047 121.106 120.200 -0.234 0.000 2.533 136 E HA -0.147 4.202 4.350 -0.001 0.000 0.203 136 E C 1.721 178.272 176.600 -0.081 0.000 1.101 136 E CA 1.038 57.352 56.400 -0.143 0.000 0.894 136 E CB -0.532 29.102 29.700 -0.110 0.000 0.843 136 E HN 0.506 nan 8.360 nan 0.000 0.552 137 R N -1.566 118.899 120.500 -0.059 0.000 2.237 137 R HA 0.226 4.566 4.340 -0.001 0.000 0.195 137 R C 2.643 178.944 176.300 0.001 0.000 0.956 137 R CA 0.968 57.059 56.100 -0.015 0.000 1.029 137 R CB -0.001 30.303 30.300 0.008 0.000 0.972 137 R HN 0.528 nan 8.270 nan 0.000 0.493 138 I N 0.182 120.742 120.570 -0.017 0.000 2.339 138 I HA 0.001 4.171 4.170 -0.001 0.000 0.245 138 I C 1.733 177.805 176.117 -0.075 0.000 1.096 138 I CA 1.314 62.608 61.300 -0.010 0.000 1.408 138 I CB -0.624 37.376 38.000 -0.000 0.000 1.092 138 I HN 0.127 nan 8.210 nan 0.000 0.423 139 E N 0.958 121.096 120.200 -0.103 0.000 2.396 139 E HA -0.124 4.226 4.350 -0.001 0.000 0.200 139 E C 2.007 178.563 176.600 -0.074 0.000 1.023 139 E CA 1.511 57.848 56.400 -0.104 0.000 0.857 139 E CB -0.172 29.459 29.700 -0.116 0.000 0.775 139 E HN 0.803 nan 8.360 nan 0.000 0.525 140 K N -0.675 119.694 120.400 -0.052 0.000 2.477 140 K HA 0.205 4.525 4.320 -0.001 0.000 0.208 140 K C 0.428 177.023 176.600 -0.009 0.000 1.117 140 K CA 0.617 56.885 56.287 -0.032 0.000 1.039 140 K CB -0.906 31.578 32.500 -0.027 0.000 0.937 140 K HN 0.285 nan 8.250 nan 0.000 0.570 141 N N 1.549 120.252 118.700 0.004 0.000 2.714 141 N HA -0.195 4.545 4.740 -0.001 0.000 0.253 141 N C 0.103 175.642 175.510 0.049 0.000 1.024 141 N CA 1.008 54.089 53.050 0.052 0.000 0.726 141 N CB -2.303 36.217 38.487 0.055 0.000 0.908 141 N HN 0.624 nan 8.380 nan 0.000 0.542 142 D N -0.037 120.384 120.400 0.035 0.000 3.058 142 D HA 0.410 5.050 4.640 -0.001 0.000 0.272 142 D C 0.359 176.677 176.300 0.029 0.000 1.350 142 D CA -0.125 53.890 54.000 0.025 0.000 0.863 142 D CB -0.439 40.366 40.800 0.008 0.000 1.064 142 D HN 0.798 nan 8.370 nan 0.000 0.488 143 L N -0.417 120.834 121.223 0.047 0.000 2.376 143 L HA 0.839 5.179 4.340 -0.001 0.000 0.267 143 L C 0.797 177.681 176.870 0.025 0.000 1.035 143 L CA -1.473 53.388 54.840 0.035 0.000 0.800 143 L CB 1.058 43.148 42.059 0.052 0.000 1.290 143 L HN -0.088 nan 8.230 nan 0.000 0.462 144 A N -0.116 122.707 122.820 0.006 0.000 2.248 144 A HA 0.887 5.207 4.320 -0.001 0.000 0.316 144 A C -0.167 177.419 177.584 0.002 0.000 1.101 144 A CA 0.191 52.230 52.037 0.004 0.000 0.875 144 A CB 0.945 19.942 19.000 -0.005 0.000 1.207 144 A HN 0.879 nan 8.150 nan 0.000 0.504 145 S N -1.433 114.270 115.700 0.004 0.000 2.548 145 S HA 0.783 5.252 4.470 -0.001 0.000 0.276 145 S C -0.203 174.398 174.600 0.002 0.000 1.129 145 S CA -0.087 58.117 58.200 0.006 0.000 0.931 145 S CB 1.455 64.666 63.200 0.019 0.000 1.068 145 S HN 2.240 nan 8.310 nan 0.000 0.480 146 G N -1.066 107.733 108.800 -0.000 0.000 2.495 146 G HA2 0.754 4.714 3.960 -0.001 0.000 0.294 146 G HA3 0.754 4.714 3.960 -0.001 0.000 0.294 146 G C -1.220 173.679 174.900 -0.002 0.000 1.397 146 G CA 0.320 45.419 45.100 -0.002 0.000 0.790 146 G HN 1.846 nan 8.290 nan 0.000 0.486 147 V N 0.903 120.815 119.914 -0.003 0.000 2.218 147 V HA 0.722 4.841 4.120 -0.001 0.000 0.261 147 V C 1.099 177.190 176.094 -0.005 0.000 1.142 147 V CA 0.334 62.632 62.300 -0.003 0.000 0.965 147 V CB 0.336 32.157 31.823 -0.003 0.000 1.190 147 V HN 1.266 nan 8.190 nan 0.000 0.478 148 G N 2.146 110.942 108.800 -0.006 0.000 2.583 148 G HA2 0.468 4.427 3.960 -0.001 0.000 0.275 148 G HA3 0.468 4.427 3.960 -0.001 0.000 0.275 148 G C 0.206 175.102 174.900 -0.007 0.000 1.342 148 G CA 0.557 45.652 45.100 -0.008 0.000 1.030 148 G HN 1.308 nan 8.290 nan 0.000 0.520 149 S N -2.580 113.116 115.700 -0.008 0.000 2.556 149 S HA 0.575 5.045 4.470 -0.001 0.000 0.271 149 S C -1.396 173.200 174.600 -0.008 0.000 1.135 149 S CA -0.603 57.593 58.200 -0.007 0.000 0.858 149 S CB 1.890 65.085 63.200 -0.008 0.000 1.114 149 S HN 0.767 nan 8.310 nan 0.000 0.468 150 V N 3.376 123.286 119.914 -0.007 0.000 2.569 150 V HA 0.590 4.710 4.120 -0.001 0.000 0.301 150 V C -0.509 175.581 176.094 -0.007 0.000 1.044 150 V CA -0.592 61.704 62.300 -0.006 0.000 0.874 150 V CB 1.525 33.346 31.823 -0.004 0.000 1.002 150 V HN 0.902 nan 8.190 nan 0.000 0.424 151 E N 3.230 123.425 120.200 -0.008 0.000 2.266 151 E HA 0.621 4.971 4.350 -0.001 0.000 0.268 151 E C -1.190 175.406 176.600 -0.008 0.000 0.879 151 E CA -0.892 55.503 56.400 -0.008 0.000 0.762 151 E CB 2.167 31.862 29.700 -0.008 0.000 1.199 151 E HN 0.598 nan 8.360 nan 0.000 0.422 152 Q N 1.543 121.339 119.800 -0.006 0.000 2.279 152 Q HA 0.392 4.731 4.340 -0.001 0.000 0.256 152 Q C -1.070 174.928 176.000 -0.004 0.000 0.937 152 Q CA -0.271 55.528 55.803 -0.006 0.000 0.933 152 Q CB 1.846 30.581 28.738 -0.005 0.000 1.189 152 Q HN 0.336 nan 8.270 nan 0.000 0.417 153 V N 1.706 121.617 119.914 -0.005 0.000 2.823 153 V HA 0.434 4.553 4.120 -0.001 0.000 0.312 153 V C -1.019 175.079 176.094 0.006 0.000 1.072 153 V CA -0.926 61.374 62.300 0.001 0.000 0.937 153 V CB 2.354 34.176 31.823 -0.002 0.000 1.013 153 V HN 0.720 nan 8.190 nan 0.000 0.430 154 D N 1.508 121.918 120.400 0.017 0.000 2.446 154 D HA 0.468 5.108 4.640 -0.001 0.000 0.251 154 D C 0.187 176.518 176.300 0.051 0.000 1.137 154 D CA -0.278 53.737 54.000 0.025 0.000 0.890 154 D CB 1.433 42.245 40.800 0.019 0.000 1.071 154 D HN 0.456 nan 8.370 nan 0.000 0.528 155 I N 3.787 124.397 120.570 0.068 0.000 3.526 155 I HA 0.133 4.303 4.170 -0.001 0.000 0.294 155 I C 1.448 177.672 176.117 0.178 0.000 1.229 155 I CA 0.123 61.503 61.300 0.134 0.000 1.408 155 I CB 0.160 38.246 38.000 0.143 0.000 1.127 155 I HN 0.429 nan 8.210 nan 0.000 0.439 156 L N 2.189 123.486 121.223 0.123 0.000 2.010 156 L HA -0.188 4.151 4.340 -0.001 0.000 0.219 156 L C -0.620 176.391 176.870 0.235 0.000 1.077 156 L CA 2.709 57.650 54.840 0.167 0.000 0.773 156 L CB -1.866 40.257 42.059 0.106 0.000 0.892 156 L HN 0.164 nan 8.230 nan 0.000 0.436 157 P HA -0.215 nan 4.420 nan 0.000 0.216 157 P C 1.594 179.006 177.300 0.186 0.000 1.153 157 P CA 1.674 64.842 63.100 0.114 0.000 0.858 157 P CB -0.194 31.527 31.700 0.036 0.000 0.789 158 R N -1.453 119.168 120.500 0.203 0.000 2.115 158 R HA -0.170 4.170 4.340 -0.001 0.000 0.230 158 R C 2.359 178.808 176.300 0.249 0.000 1.111 158 R CA 1.159 57.405 56.100 0.243 0.000 0.976 158 R CB -0.887 29.578 30.300 0.276 0.000 0.870 158 R HN 0.180 nan 8.270 nan 0.000 0.445 159 Y N 0.290 120.613 120.300 0.038 0.000 2.114 159 Y HA -0.295 4.255 4.550 -0.001 0.000 0.284 159 Y C 1.985 177.881 175.900 -0.005 0.000 1.143 159 Y CA 2.146 60.063 58.100 -0.306 0.000 1.135 159 Y CB -0.604 37.673 38.460 -0.306 0.000 0.980 159 Y HN 0.100 nan 8.280 nan 0.000 0.499 160 F N 1.348 121.291 119.950 -0.012 0.000 2.065 160 F HA -0.329 4.197 4.527 -0.001 0.000 0.298 160 F C 2.596 178.344 175.800 -0.086 0.000 1.112 160 F CA 2.470 60.430 58.000 -0.067 0.000 1.212 160 F CB -0.387 38.631 39.000 0.031 0.000 0.975 160 F HN 0.044 nan 8.300 nan 0.000 0.476 161 K N 0.083 120.692 120.400 0.348 0.000 2.057 161 K HA -0.292 4.028 4.320 -0.001 0.000 0.207 161 K C 2.215 178.883 176.600 0.114 0.000 1.049 161 K CA 1.767 58.199 56.287 0.242 0.000 0.931 161 K CB -0.353 32.264 32.500 0.194 0.000 0.714 161 K HN 0.387 nan 8.250 nan 0.000 0.440 162 Q N 0.789 120.646 119.800 0.094 0.000 2.096 162 Q HA -0.152 4.188 4.340 -0.001 0.000 0.204 162 Q C 1.902 177.955 176.000 0.088 0.000 0.982 162 Q CA 2.107 57.994 55.803 0.139 0.000 0.850 162 Q CB -0.072 28.814 28.738 0.247 0.000 0.901 162 Q HN 0.431 nan 8.270 nan 0.000 0.422 163 I N -0.466 120.069 120.570 -0.059 0.000 2.163 163 I HA -0.273 3.896 4.170 -0.001 0.000 0.240 163 I C 2.861 178.898 176.117 -0.134 0.000 1.081 163 I CA 1.285 62.504 61.300 -0.135 0.000 1.353 163 I CB -0.561 37.241 38.000 -0.331 0.000 1.054 163 I HN 0.248 nan 8.210 nan 0.000 0.407 164 R N 0.562 120.965 120.500 -0.160 0.000 2.117 164 R HA -0.237 4.103 4.340 -0.001 0.000 0.243 164 R C 1.715 177.993 176.300 -0.037 0.000 1.143 164 R CA 2.302 58.336 56.100 -0.110 0.000 0.968 164 R CB -1.696 28.578 30.300 -0.043 0.000 0.863 164 R HN 0.384 nan 8.270 nan 0.000 0.444 165 D N -0.180 120.222 120.400 0.004 0.000 2.269 165 D HA -0.074 4.566 4.640 -0.001 0.000 0.208 165 D C 1.291 177.594 176.300 0.006 0.000 0.963 165 D CA 1.443 55.456 54.000 0.022 0.000 0.864 165 D CB -0.214 40.618 40.800 0.053 0.000 0.936 165 D HN 0.602 nan 8.370 nan 0.000 0.505 166 D N -0.721 119.676 120.400 -0.005 0.000 2.240 166 D HA -0.025 4.615 4.640 -0.001 0.000 0.206 166 D C 0.446 176.707 176.300 -0.065 0.000 0.963 166 D CA 0.199 54.193 54.000 -0.010 0.000 0.863 166 D CB 0.460 41.282 40.800 0.037 0.000 0.973 166 D HN -0.065 nan 8.370 nan 0.000 0.501 167 I N 1.222 121.729 120.570 -0.106 0.000 2.532 167 I HA 0.491 4.660 4.170 -0.001 0.000 0.292 167 I C 0.657 176.715 176.117 -0.099 0.000 1.014 167 I CA -0.628 60.586 61.300 -0.145 0.000 1.340 167 I CB 0.870 38.750 38.000 -0.200 0.000 1.422 167 I HN -0.028 nan 8.210 nan 0.000 0.528 171 K N 1.090 121.473 120.400 -0.028 0.000 2.258 171 K HA 0.742 5.061 4.320 -0.001 0.000 0.236 171 K C -2.911 173.675 176.600 -0.023 0.000 1.008 171 K CA -1.377 54.896 56.287 -0.024 0.000 0.869 171 K CB 1.477 33.963 32.500 -0.024 0.000 1.171 171 K HN 0.149 nan 8.250 nan 0.000 0.447 175 V N 3.252 123.161 119.914 -0.009 0.000 2.709 175 V HA 0.468 4.588 4.120 -0.001 0.000 0.308 175 V C -0.519 175.566 176.094 -0.016 0.000 1.062 175 V CA -1.019 61.273 62.300 -0.013 0.000 0.901 175 V CB 1.928 33.745 31.823 -0.009 0.000 1.003 175 V HN 0.489 nan 8.190 nan 0.000 0.425 176 V N 4.715 124.612 119.914 -0.028 0.000 2.364 176 V HA 0.374 4.494 4.120 -0.001 0.000 0.272 176 V C -0.118 175.953 176.094 -0.039 0.000 1.036 176 V CA -0.366 61.913 62.300 -0.036 0.000 0.880 176 V CB 1.548 33.342 31.823 -0.048 0.000 0.991 176 V HN 0.629 nan 8.190 nan 0.000 0.460 177 V N 4.505 124.411 119.914 -0.015 0.000 2.334 177 V HA 0.386 4.506 4.120 -0.001 0.000 0.281 177 V C -0.331 175.783 176.094 0.033 0.000 1.016 177 V CA -0.510 61.802 62.300 0.020 0.000 0.832 177 V CB 1.698 33.577 31.823 0.095 0.000 0.999 177 V HN 0.885 nan 8.190 nan 0.000 0.439 178 D N 3.599 124.016 120.400 0.028 0.000 2.349 178 D HA 0.276 4.916 4.640 -0.001 0.000 0.232 178 D C 0.462 176.888 176.300 0.210 0.000 1.071 178 D CA -0.297 53.760 54.000 0.094 0.000 0.832 178 D CB 1.814 42.676 40.800 0.103 0.000 1.086 178 D HN 0.485 nan 8.370 nan 0.000 0.504 179 C N 2.300 121.753 119.300 0.255 0.000 2.780 179 C HA 0.372 4.831 4.460 -0.001 0.000 0.267 179 C C 1.753 176.891 174.990 0.247 0.000 1.266 179 C CA 0.265 59.458 59.018 0.291 0.000 1.709 179 C CB -0.872 27.004 27.740 0.227 0.000 1.975 179 C HN 0.912 nan 8.230 nan 0.000 0.582 180 G N 2.359 111.309 108.800 0.249 0.000 2.179 180 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.257 180 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.257 180 G C 0.249 175.195 174.900 0.076 0.000 1.010 180 G CA 0.579 45.726 45.100 0.078 0.000 0.736 180 G HN 0.544 nan 8.290 nan 0.000 0.513 181 N N -2.024 116.786 118.700 0.182 0.000 2.800 181 N HA -0.172 4.568 4.740 -0.001 0.000 0.250 181 N C 1.107 176.819 175.510 0.336 0.000 1.078 181 N CA 1.889 55.080 53.050 0.235 0.000 0.804 181 N CB -1.332 37.313 38.487 0.264 0.000 1.135 181 N HN 1.636 nan 8.380 nan 0.000 0.565 182 G N -0.528 108.443 108.800 0.285 0.000 2.557 182 G HA2 0.445 4.405 3.960 -0.001 0.000 0.302 182 G HA3 0.445 4.405 3.960 -0.001 0.000 0.302 182 G C 0.944 175.928 174.900 0.139 0.000 1.311 182 G CA 0.041 45.304 45.100 0.271 0.000 1.030 182 G HN 0.081 nan 8.290 nan 0.000 0.509 183 V N 0.586 120.551 119.914 0.085 0.000 3.444 183 V HA 0.031 4.151 4.120 -0.001 0.000 0.271 183 V C 2.700 178.784 176.094 -0.016 0.000 1.188 183 V CA 1.940 64.253 62.300 0.022 0.000 1.168 183 V CB -0.618 31.199 31.823 -0.011 0.000 0.810 183 V HN 0.801 nan 8.190 nan 0.000 0.500 184 A N 0.094 122.898 122.820 -0.026 0.000 2.015 184 A HA -0.019 4.300 4.320 -0.001 0.000 0.219 184 A C 2.261 179.806 177.584 -0.066 0.000 1.163 184 A CA 1.397 53.354 52.037 -0.134 0.000 0.646 184 A CB -0.919 17.924 19.000 -0.262 0.000 0.806 184 A HN 0.620 nan 8.150 nan 0.000 0.448 185 G N -0.139 108.674 108.800 0.022 0.000 2.615 185 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.213 185 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.213 185 G C 1.306 176.230 174.900 0.041 0.000 1.135 185 G CA 1.218 46.348 45.100 0.051 0.000 0.772 185 G HN 1.041 nan 8.290 nan 0.000 0.542 186 V N -2.332 117.595 119.914 0.023 0.000 3.306 186 V HA 0.403 4.522 4.120 -0.001 0.000 0.264 186 V C 1.631 177.769 176.094 0.073 0.000 1.149 186 V CA 1.432 63.754 62.300 0.036 0.000 1.143 186 V CB 0.019 31.852 31.823 0.017 0.000 0.767 186 V HN 0.356 nan 8.190 nan 0.000 0.476 187 I N -2.094 118.520 120.570 0.074 0.000 5.001 187 I HA 0.459 4.628 4.170 -0.001 0.000 0.386 187 I C 1.886 178.050 176.117 0.079 0.000 1.130 187 I CA 0.784 62.173 61.300 0.150 0.000 1.476 187 I CB 0.207 38.331 38.000 0.206 0.000 2.107 187 I HN 0.092 nan 8.210 nan 0.000 0.683 188 A N 2.223 125.044 122.820 0.001 0.000 1.843 188 A HA 0.183 4.503 4.320 -0.001 0.000 0.213 188 A C -0.429 177.195 177.584 0.068 0.000 1.202 188 A CA 1.413 53.434 52.037 -0.027 0.000 0.607 188 A CB -1.810 17.088 19.000 -0.171 0.000 0.847 188 A HN 0.333 nan 8.150 nan 0.000 0.445 189 P HA -0.179 nan 4.420 nan 0.000 0.216 189 P C 1.254 178.607 177.300 0.087 0.000 1.153 189 P CA 1.653 64.807 63.100 0.091 0.000 0.858 189 P CB -0.116 31.634 31.700 0.083 0.000 0.789 190 Q N -1.033 118.839 119.800 0.120 0.000 2.050 190 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 190 Q C 2.125 178.252 176.000 0.211 0.000 0.980 190 Q CA 1.231 57.153 55.803 0.198 0.000 0.840 190 Q CB -1.192 27.723 28.738 0.295 0.000 0.898 190 Q HN 0.163 nan 8.270 nan 0.000 0.424 191 L N -0.046 121.207 121.223 0.050 0.000 2.072 191 L HA -0.038 4.302 4.340 -0.001 0.000 0.205 191 L C 1.857 178.611 176.870 -0.192 0.000 1.079 191 L CA 1.455 56.078 54.840 -0.360 0.000 0.752 191 L CB -0.259 41.447 42.059 -0.587 0.000 0.906 191 L HN 0.240 nan 8.230 nan 0.000 0.436 192 I N -0.448 120.074 120.570 -0.079 0.000 2.226 192 I HA -0.286 3.883 4.170 -0.001 0.000 0.245 192 I C 2.527 178.636 176.117 -0.014 0.000 1.100 192 I CA 1.514 62.790 61.300 -0.040 0.000 1.374 192 I CB -0.306 37.704 38.000 0.018 0.000 1.057 192 I HN 0.435 nan 8.210 nan 0.000 0.413 193 E N 1.131 121.345 120.200 0.023 0.000 2.023 193 E HA -0.288 4.061 4.350 -0.001 0.000 0.196 193 E C 2.289 178.915 176.600 0.044 0.000 1.003 193 E CA 1.587 58.011 56.400 0.040 0.000 0.809 193 E CB -0.096 29.644 29.700 0.067 0.000 0.755 193 E HN 0.486 nan 8.360 nan 0.000 0.449 194 A N 1.054 123.922 122.820 0.081 0.000 1.978 194 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 194 A C 2.207 179.805 177.584 0.023 0.000 1.170 194 A CA 1.064 53.168 52.037 0.111 0.000 0.636 194 A CB -0.669 18.506 19.000 0.293 0.000 0.810 194 A HN 0.338 nan 8.150 nan 0.000 0.448 195 L N -1.703 119.493 121.223 -0.045 0.000 2.191 195 L HA -0.052 4.288 4.340 -0.001 0.000 0.212 195 L C 1.562 178.408 176.870 -0.039 0.000 1.103 195 L CA 1.039 55.837 54.840 -0.071 0.000 0.769 195 L CB -0.297 41.699 42.059 -0.106 0.000 0.908 195 L HN 0.668 nan 8.230 nan 0.000 0.438 196 G N -1.482 107.308 108.800 -0.018 0.000 2.245 196 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.116 196 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.116 196 G C -0.398 174.495 174.900 -0.012 0.000 1.054 196 G CA -0.430 44.663 45.100 -0.012 0.000 0.728 196 G HN 0.205 nan 8.290 nan 0.000 0.483 197 C N -0.568 118.729 119.300 -0.006 0.000 3.108 197 C HA 0.914 5.373 4.460 -0.001 0.000 0.321 197 C C 0.591 175.584 174.990 0.004 0.000 1.357 197 C CA -0.440 58.575 59.018 -0.004 0.000 1.562 197 C CB 1.891 29.627 27.740 -0.007 0.000 2.003 197 C HN 0.654 nan 8.230 nan 0.000 0.460 198 S N 0.384 116.086 115.700 0.003 0.000 2.454 198 S HA 0.735 5.205 4.470 -0.001 0.000 0.306 198 S C -1.093 173.510 174.600 0.006 0.000 1.100 198 S CA -0.296 57.907 58.200 0.006 0.000 1.087 198 S CB 0.671 63.872 63.200 0.002 0.000 1.019 198 S HN 0.492 nan 8.310 nan 0.000 0.480 199 V N 6.410 126.331 119.914 0.011 0.000 2.409 199 V HA 0.472 4.591 4.120 -0.001 0.000 0.291 199 V C -0.572 175.525 176.094 0.005 0.000 1.020 199 V CA -0.829 61.479 62.300 0.012 0.000 0.848 199 V CB 1.537 33.377 31.823 0.028 0.000 0.990 199 V HN 0.746 nan 8.190 nan 0.000 0.430 200 I N 7.729 128.295 120.570 -0.006 0.000 2.291 200 I HA 0.355 4.525 4.170 -0.001 0.000 0.290 200 I C -2.223 173.877 176.117 -0.028 0.000 1.050 200 I CA -2.949 58.339 61.300 -0.020 0.000 1.245 200 I CB 1.005 38.987 38.000 -0.030 0.000 1.405 200 I HN 0.375 nan 8.210 nan 0.000 0.478 201 P HA 0.348 nan 4.420 nan 0.000 0.285 201 P C -0.746 176.494 177.300 -0.100 0.000 1.259 201 P CA -0.470 62.614 63.100 -0.028 0.000 0.794 201 P CB 1.978 33.680 31.700 0.002 0.000 0.940 202 L N 5.428 126.569 121.223 -0.137 0.000 2.406 202 L HA 0.325 4.664 4.340 -0.001 0.000 0.270 202 L C -0.291 176.410 176.870 -0.282 0.000 0.982 202 L CA -0.811 53.788 54.840 -0.402 0.000 0.843 202 L CB 0.571 42.363 42.059 -0.445 0.000 1.225 202 L HN 0.494 nan 8.230 nan 0.000 0.412 203 Y N 1.775 122.096 120.300 0.035 0.000 3.234 203 Y HA -0.279 4.270 4.550 -0.001 0.000 0.207 203 Y C 0.791 176.720 175.900 0.047 0.000 1.316 203 Y CA -0.387 57.725 58.100 0.020 0.000 1.309 203 Y CB -2.040 36.396 38.460 -0.040 0.000 1.408 203 Y HN 0.562 nan 8.280 nan 0.000 0.544 204 C N 0.846 120.237 119.300 0.152 0.000 2.336 204 C HA 0.495 4.954 4.460 -0.001 0.000 0.332 204 C C 1.105 176.154 174.990 0.098 0.000 1.375 204 C CA 0.611 59.703 59.018 0.123 0.000 1.785 204 C CB -1.125 26.672 27.740 0.095 0.000 2.407 204 C HN 0.540 nan 8.230 nan 0.000 0.562 205 E N 0.223 120.486 120.200 0.106 0.000 2.155 205 E HA 0.541 4.891 4.350 -0.001 0.000 0.264 205 E C -0.436 176.205 176.600 0.069 0.000 0.886 205 E CA -0.345 56.099 56.400 0.074 0.000 0.752 205 E CB 1.043 30.783 29.700 0.067 0.000 1.133 205 E HN 0.281 nan 8.360 nan 0.000 0.414 206 V N 3.003 122.945 119.914 0.047 0.000 2.509 206 V HA 0.276 4.396 4.120 -0.001 0.000 0.297 206 V C -0.092 175.998 176.094 -0.007 0.000 1.014 206 V CA 0.490 62.809 62.300 0.032 0.000 1.127 206 V CB 0.679 32.509 31.823 0.012 0.000 0.925 206 V HN 0.871 nan 8.190 nan 0.000 0.480 207 D N 3.924 124.302 120.400 -0.037 0.000 2.318 207 D HA 0.244 4.884 4.640 -0.001 0.000 0.233 207 D C 0.935 177.024 176.300 -0.352 0.000 1.348 207 D CA 0.018 53.945 54.000 -0.122 0.000 0.983 207 D CB 1.242 42.007 40.800 -0.059 0.000 1.416 207 D HN 0.495 nan 8.370 nan 0.000 0.558 208 G N 2.600 111.145 108.800 -0.424 0.000 2.653 208 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.212 208 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.212 208 G C 1.150 175.535 174.900 -0.858 0.000 1.138 208 G CA 0.133 44.792 45.100 -0.735 0.000 0.782 208 G HN 0.459 nan 8.290 nan 0.000 0.535 209 N N 0.371 118.747 118.700 -0.540 0.000 2.376 209 N HA -0.019 4.720 4.740 -0.001 0.000 0.177 209 N C -0.090 175.289 175.510 -0.219 0.000 1.024 209 N CA 0.152 53.009 53.050 -0.322 0.000 0.893 209 N CB 0.045 38.444 38.487 -0.147 0.000 0.980 209 N HN 0.185 nan 8.380 nan 0.000 0.439 210 F N -0.535 119.371 119.950 -0.073 0.000 2.572 210 F HA -0.112 4.414 4.527 -0.001 0.000 0.282 210 F C -1.719 174.052 175.800 -0.048 0.000 1.047 210 F CA -0.551 57.402 58.000 -0.079 0.000 1.022 210 F CB -1.732 37.193 39.000 -0.125 0.000 1.226 210 F HN 0.105 nan 8.300 nan 0.000 0.827 211 P HA -0.070 nan 4.420 nan 0.000 0.223 211 P C 0.312 177.571 177.300 -0.068 0.000 1.151 211 P CA 1.661 64.757 63.100 -0.006 0.000 0.787 211 P CB 0.381 32.060 31.700 -0.035 0.000 0.788 212 N N -1.875 116.715 118.700 -0.185 0.000 2.948 212 N HA 0.227 4.967 4.740 -0.001 0.000 0.323 212 N C -0.079 175.301 175.510 -0.217 0.000 1.374 212 N CA -0.752 52.072 53.050 -0.377 0.000 0.765 212 N CB -0.286 37.576 38.487 -1.041 0.000 1.152 212 N HN 0.073 nan 8.380 nan 0.000 0.528 213 H N -0.507 118.458 119.070 -0.174 0.000 2.771 213 H HA 0.237 4.792 4.556 -0.001 0.000 0.364 213 H C -0.483 174.854 175.328 0.016 0.000 1.133 213 H CA -0.192 55.817 56.048 -0.064 0.000 1.423 213 H CB 0.122 29.855 29.762 -0.049 0.000 1.425 213 H HN 0.349 nan 8.280 nan 0.000 0.606 214 H N 1.583 120.661 119.070 0.014 0.000 2.757 214 H HA 0.106 4.662 4.556 -0.001 0.000 0.370 214 H C -1.895 173.397 175.328 -0.059 0.000 1.172 214 H CA -2.186 53.727 56.048 -0.225 0.000 1.426 214 H CB 0.252 29.906 29.762 -0.180 0.000 1.438 214 H HN 0.673 nan 8.280 nan 0.000 0.612 215 P HA 0.076 nan 4.420 nan 0.000 0.231 215 P C -0.681 176.644 177.300 0.042 0.000 1.811 215 P CA -0.009 63.074 63.100 -0.030 0.000 1.051 215 P CB -0.179 31.421 31.700 -0.167 0.000 1.951 216 D N 2.956 123.394 120.400 0.064 0.000 2.346 216 D HA 0.242 4.882 4.640 -0.001 0.000 0.255 216 D C -2.066 174.184 176.300 -0.083 0.000 1.276 216 D CA -2.251 51.745 54.000 -0.008 0.000 0.941 216 D CB 1.211 42.054 40.800 0.072 0.000 1.199 216 D HN 0.008 nan 8.370 nan 0.000 0.537 217 P HA 0.165 nan 4.420 nan 0.000 0.249 217 P C 1.259 178.462 177.300 -0.162 0.000 1.241 217 P CA 0.171 63.181 63.100 -0.151 0.000 0.781 217 P CB 0.469 32.078 31.700 -0.152 0.000 1.088 218 G N -0.430 108.284 108.800 -0.144 0.000 2.464 218 G HA2 0.030 3.989 3.960 -0.001 0.000 0.217 218 G HA3 0.030 3.989 3.960 -0.001 0.000 0.217 218 G C 0.729 175.585 174.900 -0.073 0.000 1.138 218 G CA 0.193 45.225 45.100 -0.114 0.000 0.793 218 G HN 0.454 nan 8.290 nan 0.000 0.539 219 K N 1.011 121.363 120.400 -0.079 0.000 2.213 219 K HA 0.618 4.938 4.320 -0.001 0.000 0.270 219 K C -1.608 174.943 176.600 -0.082 0.000 1.002 219 K CA -1.662 54.593 56.287 -0.054 0.000 0.868 219 K CB 1.152 33.629 32.500 -0.039 0.000 1.093 219 K HN -0.048 nan 8.250 nan 0.000 0.454 220 P HA -0.169 nan 4.420 nan 0.000 0.216 220 P C 1.681 178.932 177.300 -0.081 0.000 1.150 220 P CA 1.852 64.913 63.100 -0.066 0.000 0.837 220 P CB 0.256 31.949 31.700 -0.011 0.000 0.786 221 E N 0.164 120.324 120.200 -0.067 0.000 2.219 221 E HA -0.245 4.105 4.350 -0.001 0.000 0.198 221 E C 1.585 178.115 176.600 -0.116 0.000 0.998 221 E CA 1.492 57.851 56.400 -0.067 0.000 0.818 221 E CB -1.639 28.032 29.700 -0.049 0.000 0.741 221 E HN 0.339 nan 8.360 nan 0.000 0.477 222 N N -0.636 117.947 118.700 -0.195 0.000 2.370 222 N HA 0.169 4.908 4.740 -0.001 0.000 0.198 222 N C 0.814 176.047 175.510 -0.460 0.000 1.156 222 N CA 0.290 53.081 53.050 -0.433 0.000 0.839 222 N CB 0.665 38.873 38.487 -0.465 0.000 0.989 222 N HN 0.459 nan 8.380 nan 0.000 0.468 223 L N -0.670 120.413 121.223 -0.232 0.000 2.906 223 L HA 0.210 4.549 4.340 -0.001 0.000 0.255 223 L C 2.174 178.991 176.870 -0.089 0.000 1.166 223 L CA -0.003 54.738 54.840 -0.164 0.000 0.977 223 L CB 0.023 41.988 42.059 -0.158 0.000 1.313 223 L HN -0.036 nan 8.230 nan 0.000 0.549 224 K N 0.481 120.842 120.400 -0.065 0.000 1.985 224 K HA -0.183 4.137 4.320 -0.001 0.000 0.210 224 K C 1.546 178.154 176.600 0.013 0.000 1.047 224 K CA 2.198 58.474 56.287 -0.020 0.000 0.932 224 K CB -0.807 31.690 32.500 -0.005 0.000 0.716 224 K HN 0.188 nan 8.250 nan 0.000 0.439 225 D N 0.269 120.710 120.400 0.069 0.000 2.149 225 D HA -0.116 4.524 4.640 -0.001 0.000 0.198 225 D C 1.849 178.172 176.300 0.039 0.000 0.990 225 D CA 1.246 55.306 54.000 0.101 0.000 0.839 225 D CB -0.295 40.658 40.800 0.254 0.000 0.948 225 D HN 0.275 nan 8.370 nan 0.000 0.460 226 L N 0.590 121.829 121.223 0.027 0.000 1.989 226 L HA -0.105 4.235 4.340 -0.001 0.000 0.211 226 L C 2.007 178.854 176.870 -0.038 0.000 1.071 226 L CA 1.494 56.321 54.840 -0.023 0.000 0.749 226 L CB -0.646 41.387 42.059 -0.043 0.000 0.890 226 L HN 0.024 nan 8.230 nan 0.000 0.431 227 I N -0.359 120.187 120.570 -0.040 0.000 2.264 227 I HA -0.304 3.866 4.170 -0.001 0.000 0.248 227 I C 2.514 178.614 176.117 -0.028 0.000 1.111 227 I CA 1.245 62.520 61.300 -0.042 0.000 1.382 227 I CB -0.457 37.516 38.000 -0.045 0.000 1.060 227 I HN 0.416 nan 8.210 nan 0.000 0.418 228 A N 0.750 123.560 122.820 -0.016 0.000 1.897 228 A HA -0.198 4.122 4.320 -0.001 0.000 0.215 228 A C 2.600 180.175 177.584 -0.015 0.000 1.181 228 A CA 2.086 54.117 52.037 -0.010 0.000 0.620 228 A CB -0.824 18.178 19.000 0.002 0.000 0.821 228 A HN 0.345 nan 8.150 nan 0.000 0.443 229 K N -0.497 119.889 120.400 -0.023 0.000 2.097 229 K HA 0.033 4.352 4.320 -0.001 0.000 0.206 229 K C 2.032 178.615 176.600 -0.030 0.000 1.049 229 K CA 1.622 57.890 56.287 -0.032 0.000 0.933 229 K CB -1.503 30.965 32.500 -0.054 0.000 0.717 229 K HN 0.280 nan 8.250 nan 0.000 0.442 230 V N 1.530 121.424 119.914 -0.032 0.000 2.287 230 V HA -0.320 3.800 4.120 -0.001 0.000 0.248 230 V C 2.524 178.605 176.094 -0.022 0.000 1.053 230 V CA 2.450 64.732 62.300 -0.030 0.000 1.027 230 V CB -0.369 31.434 31.823 -0.035 0.000 0.646 230 V HN 0.609 nan 8.190 nan 0.000 0.447 231 K N 0.107 120.495 120.400 -0.020 0.000 2.025 231 K HA -0.101 4.218 4.320 -0.001 0.000 0.207 231 K C 2.318 178.911 176.600 -0.011 0.000 1.049 231 K CA 1.451 57.729 56.287 -0.015 0.000 0.933 231 K CB -0.490 32.002 32.500 -0.014 0.000 0.714 231 K HN 0.452 nan 8.250 nan 0.000 0.438 232 A N 1.655 124.468 122.820 -0.012 0.000 1.978 232 A HA -0.176 4.143 4.320 -0.001 0.000 0.220 232 A C 1.598 179.177 177.584 -0.009 0.000 1.170 232 A CA 1.571 53.603 52.037 -0.009 0.000 0.636 232 A CB -0.162 18.833 19.000 -0.008 0.000 0.810 232 A HN 0.201 nan 8.150 nan 0.000 0.448 233 E N -0.258 119.935 120.200 -0.013 0.000 2.481 233 E HA 0.041 4.390 4.350 -0.001 0.000 0.198 233 E C -0.417 176.178 176.600 -0.010 0.000 1.027 233 E CA -0.215 56.178 56.400 -0.011 0.000 0.900 233 E CB -0.234 29.457 29.700 -0.015 0.000 0.993 233 E HN 0.581 nan 8.360 nan 0.000 0.482 234 N N 1.336 120.031 118.700 -0.009 0.000 2.688 234 N HA -0.184 4.556 4.740 -0.001 0.000 0.258 234 N C -0.315 175.191 175.510 -0.008 0.000 1.016 234 N CA 0.760 53.806 53.050 -0.007 0.000 0.747 234 N CB -0.788 37.697 38.487 -0.004 0.000 0.895 234 N HN 0.171 nan 8.380 nan 0.000 0.543 235 A N 0.050 122.864 122.820 -0.011 0.000 2.304 235 A HA 0.328 4.648 4.320 -0.001 0.000 0.271 235 A C 1.002 178.581 177.584 -0.010 0.000 1.091 235 A CA -0.305 51.724 52.037 -0.012 0.000 0.812 235 A CB 0.542 19.531 19.000 -0.018 0.000 1.056 235 A HN 0.202 nan 8.150 nan 0.000 0.489 236 D N -0.875 119.521 120.400 -0.008 0.000 2.323 236 D HA 0.261 4.901 4.640 -0.001 0.000 0.209 236 D C -0.186 176.114 176.300 0.000 0.000 0.973 236 D CA 1.002 55.001 54.000 -0.003 0.000 0.874 236 D CB 0.088 40.886 40.800 -0.003 0.000 0.930 236 D HN 0.254 nan 8.370 nan 0.000 0.521 237 L N -1.105 120.113 121.223 -0.008 0.000 2.653 237 L HA 0.586 4.926 4.340 -0.001 0.000 0.257 237 L C -1.200 175.650 176.870 -0.033 0.000 0.969 237 L CA -0.621 54.213 54.840 -0.011 0.000 0.869 237 L CB 2.052 44.111 42.059 -0.000 0.000 1.439 237 L HN -0.092 nan 8.230 nan 0.000 0.414 238 G N 2.723 111.490 108.800 -0.054 0.000 2.542 238 G HA2 0.712 4.671 3.960 -0.001 0.000 0.311 238 G HA3 0.712 4.671 3.960 -0.001 0.000 0.311 238 G C -1.934 172.892 174.900 -0.124 0.000 1.298 238 G CA -0.501 44.551 45.100 -0.080 0.000 0.973 238 G HN 0.587 nan 8.290 nan 0.000 0.487 239 L N 0.799 121.927 121.223 -0.159 0.000 2.370 239 L HA 0.827 5.167 4.340 -0.001 0.000 0.266 239 L C -0.049 176.618 176.870 -0.338 0.000 1.002 239 L CA -1.076 53.593 54.840 -0.285 0.000 0.818 239 L CB 2.543 44.408 42.059 -0.322 0.000 1.325 239 L HN 0.681 nan 8.230 nan 0.000 0.418 240 A N 2.365 124.911 122.820 -0.458 0.000 2.375 240 A HA 0.805 5.125 4.320 -0.001 0.000 0.295 240 A C -1.417 175.907 177.584 -0.433 0.000 1.066 240 A CA -0.317 51.525 52.037 -0.324 0.000 0.722 240 A CB 0.784 19.672 19.000 -0.187 0.000 1.206 240 A HN 0.432 nan 8.150 nan 0.000 0.435 241 F N 1.886 121.849 119.950 0.022 0.000 2.432 241 F HA 0.424 4.950 4.527 -0.001 0.000 0.329 241 F C 0.961 176.765 175.800 0.006 0.000 1.076 241 F CA -0.522 57.481 58.000 0.006 0.000 1.018 241 F CB 1.306 40.320 39.000 0.023 0.000 1.201 241 F HN 0.735 nan 8.300 nan 0.000 0.489 242 D N 0.792 121.297 120.400 0.174 0.000 2.393 242 D HA 0.093 4.733 4.640 -0.001 0.000 0.246 242 D C 1.425 177.790 176.300 0.108 0.000 1.275 242 D CA -0.048 54.007 54.000 0.091 0.000 0.979 242 D CB 0.335 41.147 40.800 0.021 0.000 1.101 242 D HN 0.613 nan 8.370 nan 0.000 0.505 243 G N -0.100 108.742 108.800 0.070 0.000 2.469 243 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.219 243 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.219 243 G C 0.938 175.881 174.900 0.073 0.000 1.150 243 G CA 1.458 46.598 45.100 0.068 0.000 0.763 243 G HN 0.772 nan 8.290 nan 0.000 0.561 244 D N -1.257 119.171 120.400 0.045 0.000 2.433 244 D HA 0.213 4.852 4.640 -0.001 0.000 0.211 244 D C 1.562 177.837 176.300 -0.042 0.000 1.114 244 D CA 0.687 54.683 54.000 -0.006 0.000 0.837 244 D CB -0.283 40.507 40.800 -0.017 0.000 0.984 244 D HN 0.594 nan 8.370 nan 0.000 0.505 245 G N 2.468 111.266 108.800 -0.003 0.000 2.136 245 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.242 245 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.242 245 G C 0.379 175.291 174.900 0.020 0.000 0.989 245 G CA 0.503 45.588 45.100 -0.024 0.000 0.682 245 G HN 0.508 nan 8.290 nan 0.000 0.522 246 D N -0.908 119.503 120.400 0.018 0.000 2.349 246 D HA 0.262 4.901 4.640 -0.001 0.000 0.214 246 D C 0.931 177.181 176.300 -0.083 0.000 1.063 246 D CA -0.034 53.998 54.000 0.052 0.000 0.847 246 D CB 0.367 41.241 40.800 0.124 0.000 0.933 246 D HN 0.508 nan 8.370 nan 0.000 0.513 247 R N -0.272 120.168 120.500 -0.101 0.000 2.686 247 R HA 0.650 4.989 4.340 -0.001 0.000 0.286 247 R C -1.988 174.331 176.300 0.032 0.000 0.969 247 R CA -0.898 55.086 56.100 -0.193 0.000 0.898 247 R CB 2.541 32.656 30.300 -0.309 0.000 1.183 247 R HN -0.022 nan 8.270 nan 0.000 0.456 248 V N 2.861 122.767 119.914 -0.013 0.000 2.709 248 V HA 0.802 4.922 4.120 -0.001 0.000 0.308 248 V C -0.581 175.412 176.094 -0.167 0.000 1.062 248 V CA -0.359 61.888 62.300 -0.088 0.000 0.901 248 V CB 1.989 33.784 31.823 -0.047 0.000 1.003 248 V HN 0.876 nan 8.190 nan 0.000 0.425 249 G N 4.238 112.886 108.800 -0.254 0.000 2.389 249 G HA2 0.645 4.604 3.960 -0.001 0.000 0.328 249 G HA3 0.645 4.604 3.960 -0.001 0.000 0.328 249 G C -1.380 173.358 174.900 -0.270 0.000 1.133 249 G CA -0.512 44.433 45.100 -0.257 0.000 0.891 249 G HN 0.854 nan 8.290 nan 0.000 0.485 250 V N 1.226 120.977 119.914 -0.270 0.000 2.638 250 V HA 0.666 4.785 4.120 -0.001 0.000 0.306 250 V C -0.127 175.820 176.094 -0.246 0.000 1.052 250 V CA -0.747 61.410 62.300 -0.239 0.000 0.885 250 V CB 1.588 33.270 31.823 -0.234 0.000 0.999 250 V HN 0.982 nan 8.190 nan 0.000 0.424 251 V N 1.431 121.240 119.914 -0.175 0.000 2.789 251 V HA 0.864 4.984 4.120 -0.001 0.000 0.311 251 V C 0.144 176.192 176.094 -0.076 0.000 1.073 251 V CA -0.198 62.017 62.300 -0.142 0.000 0.921 251 V CB 1.921 33.671 31.823 -0.121 0.000 1.009 251 V HN 0.985 nan 8.190 nan 0.000 0.426 252 T N 1.138 115.662 114.554 -0.049 0.000 2.754 252 T HA 0.188 4.538 4.350 -0.001 0.000 0.286 252 T C 1.285 175.978 174.700 -0.011 0.000 0.997 252 T CA 0.262 62.367 62.100 0.009 0.000 0.982 252 T CB 0.344 69.232 68.868 0.032 0.000 1.027 252 T HN 1.052 nan 8.240 nan 0.000 0.529 253 N N 0.147 118.846 118.700 -0.000 0.000 2.443 253 N HA -0.134 4.606 4.740 -0.001 0.000 0.184 253 N C 1.316 176.815 175.510 -0.018 0.000 1.037 253 N CA 1.517 54.562 53.050 -0.009 0.000 0.896 253 N CB -0.814 37.672 38.487 -0.000 0.000 0.959 253 N HN 0.843 nan 8.380 nan 0.000 0.442 254 T N -5.349 109.189 114.554 -0.027 0.000 3.054 254 T HA 0.452 4.802 4.350 -0.001 0.000 0.255 254 T C 1.206 175.887 174.700 -0.031 0.000 1.035 254 T CA 0.216 62.297 62.100 -0.031 0.000 0.941 254 T CB 0.084 68.924 68.868 -0.047 0.000 1.026 254 T HN 0.336 nan 8.240 nan 0.000 0.533 255 G N 1.332 110.111 108.800 -0.035 0.000 2.132 255 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.234 255 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.234 255 G C 0.044 174.915 174.900 -0.048 0.000 0.989 255 G CA -0.045 45.030 45.100 -0.042 0.000 0.676 255 G HN 0.690 nan 8.290 nan 0.000 0.522 256 T N 1.177 115.702 114.554 -0.047 0.000 2.851 256 T HA 0.519 4.868 4.350 -0.001 0.000 0.298 256 T C 0.950 175.595 174.700 -0.091 0.000 0.977 256 T CA -0.012 62.060 62.100 -0.047 0.000 1.126 256 T CB 1.410 70.259 68.868 -0.032 0.000 0.916 256 T HN 0.319 nan 8.240 nan 0.000 0.529 257 I N 4.249 124.763 120.570 -0.094 0.000 2.379 257 I HA 0.147 4.316 4.170 -0.001 0.000 0.290 257 I C 0.195 176.161 176.117 -0.251 0.000 1.063 257 I CA -0.525 60.650 61.300 -0.209 0.000 1.351 257 I CB 0.362 38.219 38.000 -0.239 0.000 1.410 257 I HN 0.358 nan 8.210 nan 0.000 0.505 258 I N 7.533 127.875 120.570 -0.380 0.000 2.352 258 I HA 0.138 4.307 4.170 -0.001 0.000 0.290 258 I C 0.085 175.947 176.117 -0.426 0.000 1.036 258 I CA -0.346 60.690 61.300 -0.440 0.000 1.336 258 I CB -0.264 37.226 38.000 -0.851 0.000 1.407 258 I HN 0.361 nan 8.210 nan 0.000 0.497 259 Y N 7.962 128.132 120.300 -0.217 0.000 2.301 259 Y HA 0.185 4.735 4.550 -0.001 0.000 0.328 259 Y C -1.133 174.687 175.900 -0.135 0.000 1.242 259 Y CA -1.467 56.549 58.100 -0.140 0.000 1.323 259 Y CB -0.022 38.385 38.460 -0.088 0.000 1.266 259 Y HN 0.436 nan 8.280 nan 0.000 0.527 260 P HA -0.196 nan 4.420 nan 0.000 0.216 260 P C 0.799 178.125 177.300 0.043 0.000 1.150 260 P CA 2.040 65.160 63.100 0.032 0.000 0.843 260 P CB 0.188 31.936 31.700 0.081 0.000 0.787 261 D N -0.574 119.861 120.400 0.060 0.000 2.117 261 D HA -0.199 4.441 4.640 -0.001 0.000 0.197 261 D C 1.977 178.240 176.300 -0.062 0.000 0.987 261 D CA 1.344 55.351 54.000 0.012 0.000 0.829 261 D CB -1.047 39.764 40.800 0.018 0.000 0.961 261 D HN 0.126 nan 8.370 nan 0.000 0.460 262 R N -0.210 120.253 120.500 -0.063 0.000 2.090 262 R HA 0.102 4.442 4.340 -0.001 0.000 0.228 262 R C 2.522 178.748 176.300 -0.124 0.000 1.110 262 R CA 0.361 56.389 56.100 -0.120 0.000 0.973 262 R CB -0.352 29.900 30.300 -0.080 0.000 0.869 262 R HN 0.201 nan 8.270 nan 0.000 0.440 263 L N 0.755 121.894 121.223 -0.140 0.000 2.042 263 L HA -0.121 4.219 4.340 -0.001 0.000 0.210 263 L C 1.078 177.857 176.870 -0.152 0.000 1.076 263 L CA 0.935 55.687 54.840 -0.147 0.000 0.749 263 L CB -0.116 41.858 42.059 -0.141 0.000 0.893 263 L HN 0.237 nan 8.230 nan 0.000 0.432 267 F N 0.532 120.539 119.950 0.096 0.000 2.186 267 F HA -0.073 4.453 4.527 -0.001 0.000 0.299 267 F C 2.398 178.238 175.800 0.067 0.000 1.090 267 F CA 1.059 59.127 58.000 0.114 0.000 1.307 267 F CB -0.161 38.894 39.000 0.092 0.000 1.019 267 F HN 0.280 nan 8.300 nan 0.000 0.489 268 A N 0.215 123.165 122.820 0.216 0.000 1.930 268 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 268 A C 2.139 179.778 177.584 0.092 0.000 1.175 268 A CA 1.663 53.786 52.037 0.143 0.000 0.627 268 A CB -0.669 18.407 19.000 0.127 0.000 0.815 268 A HN 0.326 nan 8.150 nan 0.000 0.443 269 K N -0.240 120.183 120.400 0.038 0.000 2.063 269 K HA -0.261 4.058 4.320 -0.001 0.000 0.208 269 K C 1.749 178.242 176.600 -0.179 0.000 1.048 269 K CA 2.041 58.169 56.287 -0.265 0.000 0.928 269 K CB -0.267 32.071 32.500 -0.269 0.000 0.713 269 K HN 0.451 nan 8.250 nan 0.000 0.442 270 D N -0.172 120.226 120.400 -0.004 0.000 2.077 270 D HA -0.140 4.499 4.640 -0.001 0.000 0.196 270 D C 1.888 178.219 176.300 0.051 0.000 0.986 270 D CA 1.592 55.615 54.000 0.037 0.000 0.829 270 D CB -0.032 40.856 40.800 0.146 0.000 0.983 270 D HN 0.043 nan 8.370 nan 0.000 0.453 271 V N 0.101 120.083 119.914 0.113 0.000 2.282 271 V HA -0.232 3.887 4.120 -0.001 0.000 0.249 271 V C 2.611 178.742 176.094 0.062 0.000 1.057 271 V CA 1.537 63.900 62.300 0.104 0.000 1.032 271 V CB -0.481 31.422 31.823 0.132 0.000 0.645 271 V HN 0.188 nan 8.190 nan 0.000 0.447 272 V N 1.008 120.953 119.914 0.051 0.000 2.626 272 V HA -0.189 3.931 4.120 -0.001 0.000 0.252 272 V C 2.611 178.722 176.094 0.028 0.000 1.067 272 V CA 1.863 64.195 62.300 0.053 0.000 1.081 272 V CB -0.716 31.163 31.823 0.093 0.000 0.686 272 V HN 0.790 nan 8.190 nan 0.000 0.468 273 S N 0.678 116.369 115.700 -0.015 0.000 2.442 273 S HA -0.181 4.288 4.470 -0.001 0.000 0.236 273 S C 1.846 176.448 174.600 0.004 0.000 1.007 273 S CA 1.178 59.366 58.200 -0.020 0.000 0.965 273 S CB -0.333 62.833 63.200 -0.056 0.000 0.773 273 S HN 0.661 nan 8.310 nan 0.000 0.504 274 R N 0.942 121.450 120.500 0.013 0.000 2.397 274 R HA 0.331 4.671 4.340 -0.001 0.000 0.241 274 R C -0.448 175.866 176.300 0.023 0.000 0.914 274 R CA -0.036 56.074 56.100 0.016 0.000 1.071 274 R CB 0.283 30.593 30.300 0.016 0.000 1.116 274 R HN 0.349 nan 8.270 nan 0.000 0.524 275 N N 1.276 119.994 118.700 0.030 0.000 2.722 275 N HA 0.176 4.915 4.740 -0.001 0.000 0.242 275 N C -2.934 172.598 175.510 0.036 0.000 1.398 275 N CA -1.130 51.939 53.050 0.031 0.000 0.755 275 N CB 2.020 40.528 38.487 0.036 0.000 1.268 275 N HN -0.116 nan 8.380 nan 0.000 0.522 276 P HA 0.074 nan 4.420 nan 0.000 0.265 276 P C 1.074 178.395 177.300 0.035 0.000 1.193 276 P CA 0.859 63.983 63.100 0.039 0.000 0.765 276 P CB 0.510 32.229 31.700 0.033 0.000 0.823 277 G N 1.471 110.296 108.800 0.042 0.000 2.155 277 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.257 277 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.257 277 G C 0.461 175.379 174.900 0.030 0.000 0.983 277 G CA 0.046 45.166 45.100 0.034 0.000 0.676 277 G HN 0.877 nan 8.290 nan 0.000 0.528 278 A N -0.164 122.679 122.820 0.038 0.000 2.511 278 A HA 0.486 4.806 4.320 -0.001 0.000 0.242 278 A C 0.315 177.918 177.584 0.031 0.000 1.069 278 A CA 0.571 52.627 52.037 0.032 0.000 0.763 278 A CB 0.253 19.278 19.000 0.042 0.000 1.001 278 A HN 0.363 nan 8.150 nan 0.000 0.498 279 D N 1.039 121.445 120.400 0.010 0.000 2.308 279 D HA 0.456 5.096 4.640 -0.001 0.000 0.251 279 D C -0.153 176.156 176.300 0.014 0.000 1.127 279 D CA 0.457 54.457 54.000 -0.001 0.000 0.876 279 D CB 0.678 41.452 40.800 -0.043 0.000 1.176 279 D HN 0.275 nan 8.370 nan 0.000 0.446 280 I N 3.342 123.940 120.570 0.047 0.000 2.436 280 I HA 0.363 4.532 4.170 -0.001 0.000 0.289 280 I C -0.149 176.025 176.117 0.096 0.000 1.010 280 I CA -0.530 60.822 61.300 0.088 0.000 1.098 280 I CB 1.227 39.314 38.000 0.145 0.000 1.266 280 I HN 0.259 nan 8.210 nan 0.000 0.434 281 I N 6.950 127.538 120.570 0.031 0.000 2.412 281 I HA 0.492 4.662 4.170 -0.001 0.000 0.296 281 I C -0.504 175.640 176.117 0.046 0.000 0.987 281 I CA -0.583 60.657 61.300 -0.100 0.000 1.180 281 I CB 1.451 39.352 38.000 -0.164 0.000 1.340 281 I HN 0.450 nan 8.210 nan 0.000 0.455 282 F N 2.425 122.388 119.950 0.021 0.000 2.664 282 F HA 0.703 5.230 4.527 -0.000 0.000 0.317 282 F C -0.827 174.990 175.800 0.029 0.000 1.108 282 F CA -1.248 56.769 58.000 0.029 0.000 0.957 282 F CB 0.579 39.580 39.000 0.001 0.000 1.365 282 F HN 0.426 nan 8.300 nan 0.000 0.475 283 D N -0.315 120.178 120.400 0.154 0.000 2.549 283 D HA 0.352 4.992 4.640 -0.001 0.000 0.270 283 D C 0.835 177.156 176.300 0.035 0.000 1.181 283 D CA -0.324 53.694 54.000 0.030 0.000 1.070 283 D CB 0.857 41.683 40.800 0.044 0.000 1.154 283 D HN 0.619 nan 8.370 nan 0.000 0.602 284 V N -3.141 116.741 119.914 -0.053 0.000 3.573 284 V HA 0.125 4.245 4.120 -0.001 0.000 0.270 284 V C 1.191 177.222 176.094 -0.104 0.000 1.221 284 V CA 0.637 62.868 62.300 -0.115 0.000 1.163 284 V CB -1.081 30.663 31.823 -0.131 0.000 0.847 284 V HN 0.443 nan 8.190 nan 0.000 0.468 285 K N -0.290 120.115 120.400 0.008 0.000 2.374 285 K HA 0.295 4.615 4.320 -0.001 0.000 0.196 285 K C 0.097 176.784 176.600 0.144 0.000 1.023 285 K CA -0.092 56.260 56.287 0.109 0.000 1.103 285 K CB 0.331 32.896 32.500 0.107 0.000 0.848 285 K HN 0.509 nan 8.250 nan 0.000 0.528 286 C N 1.218 120.551 119.300 0.054 0.000 2.365 286 C HA 0.178 4.637 4.460 -0.001 0.000 0.351 286 C C 1.024 175.971 174.990 -0.071 0.000 1.240 286 C CA -0.951 58.097 59.018 0.051 0.000 2.062 286 C CB 0.941 28.735 27.740 0.090 0.000 2.387 286 C HN 0.336 nan 8.230 nan 0.000 0.537 287 T N 1.743 116.335 114.554 0.063 0.000 2.903 287 T HA -0.045 4.304 4.350 -0.001 0.000 0.299 287 T C 1.394 176.009 174.700 -0.141 0.000 1.041 287 T CA 0.268 62.446 62.100 0.130 0.000 1.138 287 T CB 0.303 69.228 68.868 0.095 0.000 1.040 287 T HN 0.837 nan 8.240 nan 0.000 0.524 288 R N 3.841 124.284 120.500 -0.094 0.000 2.237 288 R HA 0.070 4.410 4.340 -0.001 0.000 0.219 288 R C 2.104 178.324 176.300 -0.134 0.000 1.080 288 R CA 0.614 56.590 56.100 -0.206 0.000 0.995 288 R CB -0.153 30.073 30.300 -0.123 0.000 0.875 288 R HN 0.367 nan 8.270 nan 0.000 0.462 289 R N 0.748 121.210 120.500 -0.063 0.000 2.127 289 R HA -0.054 4.286 4.340 -0.001 0.000 0.238 289 R C 1.833 178.041 176.300 -0.153 0.000 1.134 289 R CA 0.827 56.888 56.100 -0.065 0.000 0.975 289 R CB -0.799 29.488 30.300 -0.022 0.000 0.865 289 R HN 0.272 nan 8.270 nan 0.000 0.447 290 L N 0.852 121.909 121.223 -0.277 0.000 2.046 290 L HA -0.093 4.247 4.340 -0.001 0.000 0.208 290 L C 2.114 178.747 176.870 -0.396 0.000 1.077 290 L CA 1.430 56.024 54.840 -0.410 0.000 0.747 290 L CB -0.574 41.066 42.059 -0.698 0.000 0.896 290 L HN 0.075 nan 8.230 nan 0.000 0.432 291 I N -0.859 119.474 120.570 -0.394 0.000 2.127 291 I HA -0.328 3.841 4.170 -0.001 0.000 0.241 291 I C 2.505 178.571 176.117 -0.084 0.000 1.075 291 I CA 1.409 62.602 61.300 -0.178 0.000 1.334 291 I CB -0.622 37.329 38.000 -0.082 0.000 1.040 291 I HN 0.283 nan 8.210 nan 0.000 0.405 292 A N 0.580 123.348 122.820 -0.087 0.000 1.969 292 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 292 A C 2.281 179.809 177.584 -0.094 0.000 1.169 292 A CA 1.045 53.043 52.037 -0.066 0.000 0.635 292 A CB -0.593 18.377 19.000 -0.051 0.000 0.810 292 A HN 0.430 nan 8.150 nan 0.000 0.445 293 L N -0.025 121.138 121.223 -0.100 0.000 2.072 293 L HA -0.053 4.287 4.340 -0.001 0.000 0.205 293 L C 2.128 178.964 176.870 -0.058 0.000 1.079 293 L CA 1.845 56.615 54.840 -0.116 0.000 0.752 293 L CB -1.060 40.977 42.059 -0.037 0.000 0.906 293 L HN 0.424 nan 8.230 nan 0.000 0.436 294 I N -0.208 120.368 120.570 0.011 0.000 2.202 294 I HA -0.274 3.895 4.170 -0.001 0.000 0.242 294 I C 2.556 178.717 176.117 0.074 0.000 1.091 294 I CA 1.294 62.652 61.300 0.097 0.000 1.368 294 I CB -0.325 37.727 38.000 0.087 0.000 1.058 294 I HN 0.196 nan 8.210 nan 0.000 0.410 295 S N 0.720 116.433 115.700 0.020 0.000 2.353 295 S HA -0.181 4.289 4.470 -0.001 0.000 0.222 295 S C 2.163 176.753 174.600 -0.017 0.000 1.035 295 S CA 1.539 59.746 58.200 0.012 0.000 1.025 295 S CB -0.960 62.238 63.200 -0.004 0.000 0.902 295 S HN 0.656 nan 8.310 nan 0.000 0.440 296 G N -0.171 108.569 108.800 -0.101 0.000 2.475 296 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.220 296 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.220 296 G C 0.891 175.694 174.900 -0.161 0.000 1.125 296 G CA 0.795 45.785 45.100 -0.185 0.000 0.755 296 G HN 0.533 nan 8.290 nan 0.000 0.565 297 Y N 0.138 120.461 120.300 0.038 0.000 2.490 297 Y HA 0.351 4.901 4.550 -0.001 0.000 0.281 297 Y C 2.092 178.014 175.900 0.036 0.000 1.174 297 Y CA -0.306 57.819 58.100 0.041 0.000 1.295 297 Y CB 0.241 38.733 38.460 0.053 0.000 1.062 297 Y HN 0.311 nan 8.280 nan 0.000 0.522 298 G N -0.876 108.015 108.800 0.151 0.000 2.148 298 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.203 298 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.203 298 G C 0.576 175.530 174.900 0.089 0.000 0.993 298 G CA -0.206 44.956 45.100 0.102 0.000 0.661 298 G HN 0.707 nan 8.290 nan 0.000 0.518 299 G N -0.862 108.000 108.800 0.103 0.000 2.521 299 G HA2 0.627 4.586 3.960 -0.001 0.000 0.323 299 G HA3 0.627 4.586 3.960 -0.001 0.000 0.323 299 G C -0.236 174.705 174.900 0.069 0.000 1.211 299 G CA -0.681 44.471 45.100 0.087 0.000 0.979 299 G HN 0.435 nan 8.290 nan 0.000 0.490 300 R N 1.241 121.776 120.500 0.059 0.000 2.239 300 R HA 0.339 4.679 4.340 -0.001 0.000 0.332 300 R C -2.364 173.979 176.300 0.073 0.000 0.988 300 R CA -1.709 54.420 56.100 0.048 0.000 0.859 300 R CB 1.413 31.725 30.300 0.019 0.000 1.148 300 R HN 0.294 nan 8.270 nan 0.000 0.482 301 P HA 0.076 nan 4.420 nan 0.000 0.276 301 P C -0.751 176.608 177.300 0.100 0.000 1.235 301 P CA -0.084 63.154 63.100 0.230 0.000 0.772 301 P CB 1.627 33.495 31.700 0.280 0.000 0.871 305 K N 1.347 121.179 120.400 -0.946 0.000 2.276 305 K HA 0.268 4.588 4.320 -0.001 0.000 0.259 305 K C 0.145 176.586 176.600 -0.265 0.000 1.001 305 K CA 0.167 56.073 56.287 -0.635 0.000 0.927 305 K CB 0.763 32.784 32.500 -0.800 0.000 0.969 305 K HN 0.111 nan 8.250 nan 0.000 0.490 306 T N 0.462 114.922 114.554 -0.157 0.000 2.910 306 T HA 0.449 4.799 4.350 -0.001 0.000 0.293 306 T C -0.034 174.612 174.700 -0.091 0.000 1.015 306 T CA 0.452 62.523 62.100 -0.050 0.000 1.094 306 T CB 0.555 69.430 68.868 0.011 0.000 0.968 306 T HN 0.743 nan 8.240 nan 0.000 0.521 307 G N 3.186 111.907 108.800 -0.132 0.000 2.594 307 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.422 307 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.422 307 G C 0.180 174.754 174.900 -0.544 0.000 1.190 307 G CA 0.343 45.146 45.100 -0.495 0.000 1.234 307 G HN 1.134 nan 8.290 nan 0.000 0.584 308 H N 0.427 119.335 119.070 -0.271 0.000 2.346 308 H HA -0.255 4.300 4.556 -0.000 0.000 0.285 308 H C 2.472 177.754 175.328 -0.076 0.000 1.123 308 H CA 3.210 59.223 56.048 -0.057 0.000 1.182 308 H CB -0.252 29.313 29.762 -0.328 0.000 1.351 308 H HN 0.732 nan 8.280 nan 0.000 0.475 309 S N -0.600 114.456 115.700 -1.072 0.000 2.406 309 S HA 0.023 4.492 4.470 -0.001 0.000 0.228 309 S C 2.089 176.497 174.600 -0.321 0.000 1.020 309 S CA 0.894 58.742 58.200 -0.588 0.000 0.965 309 S CB -0.288 62.558 63.200 -0.591 0.000 0.798 309 S HN 0.473 nan 8.310 nan 0.000 0.488 310 L N 0.883 121.879 121.223 -0.378 0.000 2.095 310 L HA 0.004 4.343 4.340 -0.001 0.000 0.204 310 L C 2.327 179.176 176.870 -0.035 0.000 1.080 310 L CA 0.631 55.401 54.840 -0.117 0.000 0.759 310 L CB -0.503 41.498 42.059 -0.097 0.000 0.914 310 L HN 0.314 nan 8.230 nan 0.000 0.439 311 I N 0.628 121.112 120.570 -0.144 0.000 2.264 311 I HA -0.312 3.857 4.170 -0.001 0.000 0.248 311 I C 2.532 178.379 176.117 -0.451 0.000 1.111 311 I CA 1.601 62.744 61.300 -0.262 0.000 1.382 311 I CB -0.777 36.948 38.000 -0.459 0.000 1.060 311 I HN 0.273 nan 8.210 nan 0.000 0.418 312 K N 0.973 121.112 120.400 -0.434 0.000 2.057 312 K HA -0.146 4.174 4.320 -0.001 0.000 0.206 312 K C 2.127 178.613 176.600 -0.190 0.000 1.050 312 K CA 1.189 57.290 56.287 -0.310 0.000 0.935 312 K CB 0.085 32.536 32.500 -0.082 0.000 0.715 312 K HN 0.152 nan 8.250 nan 0.000 0.439 313 K N 0.595 120.903 120.400 -0.153 0.000 2.025 313 K HA -0.119 4.201 4.320 -0.001 0.000 0.207 313 K C 0.999 177.475 176.600 -0.206 0.000 1.049 313 K CA 0.791 57.002 56.287 -0.126 0.000 0.933 313 K CB -0.100 32.359 32.500 -0.068 0.000 0.714 313 K HN -0.090 nan 8.250 nan 0.000 0.438 317 E N 1.145 121.249 120.200 -0.161 0.000 2.208 317 E HA -0.069 4.281 4.350 -0.001 0.000 0.193 317 E C 1.670 178.166 176.600 -0.172 0.000 0.988 317 E CA 1.815 58.112 56.400 -0.171 0.000 0.828 317 E CB 0.309 29.872 29.700 -0.230 0.000 0.763 317 E HN 0.742 nan 8.360 nan 0.000 0.478 318 T N -4.216 110.226 114.554 -0.187 0.000 3.010 318 T HA 0.303 4.652 4.350 -0.001 0.000 0.257 318 T C 1.490 176.124 174.700 -0.110 0.000 1.020 318 T CA 0.293 62.296 62.100 -0.162 0.000 0.938 318 T CB 0.930 69.675 68.868 -0.204 0.000 1.049 318 T HN 0.200 nan 8.240 nan 0.000 0.522 319 G N 1.796 110.539 108.800 -0.095 0.000 2.148 319 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.254 319 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.254 319 G C 0.408 175.277 174.900 -0.051 0.000 0.981 319 G CA -0.008 45.055 45.100 -0.061 0.000 0.670 319 G HN 1.270 nan 8.290 nan 0.000 0.528 320 A N -0.494 122.282 122.820 -0.073 0.000 2.561 320 A HA 0.528 4.848 4.320 -0.001 0.000 0.234 320 A C 1.462 179.035 177.584 -0.018 0.000 1.055 320 A CA 0.868 52.872 52.037 -0.054 0.000 0.756 320 A CB 0.203 19.151 19.000 -0.087 0.000 0.986 320 A HN 0.860 nan 8.150 nan 0.000 0.505 321 L N 0.871 122.098 121.223 0.007 0.000 2.529 321 L HA 0.252 4.592 4.340 -0.001 0.000 0.223 321 L C -0.038 176.858 176.870 0.044 0.000 1.113 321 L CA 0.333 55.197 54.840 0.039 0.000 0.861 321 L CB -0.037 42.053 42.059 0.052 0.000 1.012 321 L HN 0.665 nan 8.230 nan 0.000 0.461 322 L N -0.575 120.649 121.223 0.003 0.000 2.545 322 L HA 0.762 5.102 4.340 -0.001 0.000 0.258 322 L C -1.558 175.299 176.870 -0.021 0.000 0.942 322 L CA -0.268 54.533 54.840 -0.065 0.000 0.855 322 L CB 1.850 43.840 42.059 -0.114 0.000 1.374 322 L HN -0.147 nan 8.230 nan 0.000 0.411 323 A N 2.073 124.906 122.820 0.022 0.000 2.556 323 A HA 1.029 5.348 4.320 -0.001 0.000 0.294 323 A C -0.721 177.032 177.584 0.282 0.000 1.091 323 A CA -0.031 52.068 52.037 0.102 0.000 0.704 323 A CB 1.810 20.768 19.000 -0.069 0.000 1.300 323 A HN 1.350 nan 8.150 nan 0.000 0.406 324 G N -0.374 108.598 108.800 0.286 0.000 2.692 324 G HA2 0.667 4.627 3.960 -0.001 0.000 0.291 324 G HA3 0.667 4.627 3.960 -0.001 0.000 0.291 324 G C -1.134 173.961 174.900 0.325 0.000 1.423 324 G CA -0.055 45.255 45.100 0.351 0.000 0.843 324 G HN 1.128 nan 8.290 nan 0.000 0.486 328 G N 0.840 109.704 108.800 0.105 0.000 2.179 328 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.220 328 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.220 328 G C -0.253 174.631 174.900 -0.027 0.000 0.990 328 G CA 0.031 45.132 45.100 0.002 0.000 0.646 328 G HN 0.792 nan 8.290 nan 0.000 0.517 329 H N 0.088 119.196 119.070 0.063 0.000 2.767 329 H HA 0.514 5.070 4.556 -0.000 0.000 0.316 329 H C 0.163 175.455 175.328 -0.060 0.000 1.059 329 H CA 0.282 56.295 56.048 -0.058 0.000 1.461 329 H CB 1.438 31.154 29.762 -0.077 0.000 1.475 329 H HN 0.173 nan 8.280 nan 0.000 0.531 330 V N 5.338 125.235 119.914 -0.029 0.000 2.495 330 V HA 0.272 4.391 4.120 -0.001 0.000 0.298 330 V C -0.710 175.344 176.094 -0.067 0.000 1.031 330 V CA -0.729 61.595 62.300 0.039 0.000 0.871 330 V CB 0.817 32.717 31.823 0.128 0.000 0.988 330 V HN 0.551 nan 8.190 nan 0.000 0.432 331 F N 4.459 124.430 119.950 0.035 0.000 2.403 331 F HA 0.609 5.136 4.527 -0.000 0.000 0.355 331 F C -0.347 175.424 175.800 -0.049 0.000 1.119 331 F CA -0.696 57.363 58.000 0.099 0.000 1.007 331 F CB 1.151 40.215 39.000 0.106 0.000 1.194 331 F HN 0.268 nan 8.300 nan 0.000 0.443 332 F N 2.855 122.956 119.950 0.252 0.000 2.420 332 F HA 0.414 4.941 4.527 -0.001 0.000 0.342 332 F C 1.108 177.017 175.800 0.182 0.000 1.113 332 F CA -0.399 57.706 58.000 0.175 0.000 1.059 332 F CB 1.872 40.977 39.000 0.175 0.000 1.128 332 F HN 0.396 nan 8.300 nan 0.000 0.475 333 K N 1.478 122.043 120.400 0.274 0.000 2.344 333 K HA 0.072 4.392 4.320 -0.001 0.000 0.200 333 K C 0.324 177.011 176.600 0.145 0.000 1.132 333 K CA 0.277 56.662 56.287 0.163 0.000 0.935 333 K CB -0.021 32.532 32.500 0.088 0.000 1.089 333 K HN 0.519 nan 8.250 nan 0.000 0.496 334 E N 2.025 122.325 120.200 0.167 0.000 2.652 334 E HA -0.111 4.239 4.350 -0.001 0.000 0.255 334 E C -0.584 176.103 176.600 0.144 0.000 0.952 334 E CA 0.529 57.010 56.400 0.134 0.000 0.947 334 E CB 0.123 29.910 29.700 0.146 0.000 0.912 334 E HN 0.296 nan 8.360 nan 0.000 0.489 335 R N 1.305 121.843 120.500 0.062 0.000 4.000 335 R HA -0.223 4.117 4.340 -0.001 0.000 0.362 335 R C -0.113 176.214 176.300 0.045 0.000 1.183 335 R CA 1.701 57.826 56.100 0.041 0.000 1.011 335 R CB -1.445 28.893 30.300 0.063 0.000 1.501 335 R HN 0.740 nan 8.270 nan 0.000 0.553 336 W N -1.820 119.272 121.300 -0.347 0.000 3.689 336 W HA 0.344 5.004 4.660 -0.000 0.000 0.381 336 W C -0.496 175.649 176.519 -0.623 0.000 1.098 336 W CA -0.649 56.324 57.345 -0.620 0.000 1.068 336 W CB 0.454 29.529 29.460 -0.641 0.000 1.581 336 W HN -0.175 nan 8.180 nan 0.000 0.618 337 F N 0.677 120.240 119.950 -0.646 0.000 2.704 337 F HA 0.295 4.821 4.527 -0.001 0.000 0.304 337 F C 1.484 177.151 175.800 -0.222 0.000 1.094 337 F CA 0.882 58.622 58.000 -0.433 0.000 1.275 337 F CB 0.595 39.349 39.000 -0.411 0.000 1.073 337 F HN 0.573 nan 8.300 nan 0.000 0.586 338 G N 0.909 109.674 108.800 -0.059 0.000 2.134 338 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.209 338 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.209 338 G C -0.040 175.036 174.900 0.294 0.000 0.993 338 G CA -0.034 45.148 45.100 0.136 0.000 0.669 338 G HN 0.296 nan 8.290 nan 0.000 0.519 339 F N 0.475 120.662 119.950 0.394 0.000 2.594 339 F HA 0.776 5.303 4.527 -0.001 0.000 0.335 339 F C 0.151 176.213 175.800 0.437 0.000 1.058 339 F CA -2.031 56.214 58.000 0.407 0.000 0.981 339 F CB 0.647 39.771 39.000 0.208 0.000 1.289 339 F HN 0.066 nan 8.300 nan 0.000 0.490 340 D N 0.274 120.957 120.400 0.472 0.000 2.345 340 D HA 0.328 4.967 4.640 -0.001 0.000 0.247 340 D C -1.135 175.459 176.300 0.490 0.000 1.108 340 D CA 0.020 54.012 54.000 -0.013 0.000 0.894 340 D CB 1.606 42.058 40.800 -0.579 0.000 1.203 340 D HN 0.665 nan 8.370 nan 0.000 0.430 341 D N 0.272 120.889 120.400 0.363 0.000 2.484 341 D HA 0.198 4.837 4.640 -0.001 0.000 0.206 341 D C 0.810 177.300 176.300 0.316 0.000 1.322 341 D CA -0.604 53.664 54.000 0.447 0.000 0.913 341 D CB 1.201 42.441 40.800 0.733 0.000 1.559 341 D HN 0.413 nan 8.370 nan 0.000 0.565 342 G N 2.583 111.536 108.800 0.255 0.000 2.448 342 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.218 342 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.218 342 G C 1.636 176.785 174.900 0.415 0.000 1.135 342 G CA 0.488 45.781 45.100 0.321 0.000 0.784 342 G HN 0.566 nan 8.290 nan 0.000 0.543 343 I N -0.819 119.897 120.570 0.242 0.000 2.163 343 I HA -0.125 4.045 4.170 -0.001 0.000 0.240 343 I C 2.410 178.588 176.117 0.102 0.000 1.081 343 I CA 1.076 62.452 61.300 0.127 0.000 1.353 343 I CB -0.305 37.719 38.000 0.039 0.000 1.054 343 I HN 0.182 nan 8.210 nan 0.000 0.407 344 Y N 1.609 121.875 120.300 -0.058 0.000 2.181 344 Y HA -0.254 4.295 4.550 -0.000 0.000 0.288 344 Y C 2.771 178.467 175.900 -0.340 0.000 1.146 344 Y CA 1.648 59.514 58.100 -0.390 0.000 1.164 344 Y CB -0.353 37.632 38.460 -0.790 0.000 0.982 344 Y HN 0.045 nan 8.280 nan 0.000 0.515 345 S N 0.392 116.043 115.700 -0.081 0.000 2.370 345 S HA -0.249 4.221 4.470 -0.001 0.000 0.226 345 S C 2.294 176.923 174.600 0.048 0.000 1.033 345 S CA 1.102 59.299 58.200 -0.006 0.000 1.011 345 S CB -0.878 62.497 63.200 0.292 0.000 0.852 345 S HN 0.652 nan 8.310 nan 0.000 0.457 346 A N 1.723 124.596 122.820 0.088 0.000 1.883 346 A HA -0.009 4.310 4.320 -0.001 0.000 0.217 346 A C 2.382 179.939 177.584 -0.046 0.000 1.186 346 A CA 1.911 53.997 52.037 0.082 0.000 0.624 346 A CB -1.220 17.891 19.000 0.186 0.000 0.822 346 A HN 0.536 nan 8.150 nan 0.000 0.444 347 A N -0.538 122.164 122.820 -0.198 0.000 1.865 347 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 347 A C 2.219 179.578 177.584 -0.376 0.000 1.191 347 A CA 1.612 53.460 52.037 -0.315 0.000 0.623 347 A CB -0.509 18.207 19.000 -0.473 0.000 0.826 347 A HN 0.404 nan 8.150 nan 0.000 0.444 348 R N -0.911 119.216 120.500 -0.623 0.000 2.105 348 R HA -0.133 4.206 4.340 -0.001 0.000 0.239 348 R C 2.057 178.334 176.300 -0.038 0.000 1.135 348 R CA 1.471 57.220 56.100 -0.584 0.000 0.967 348 R CB -1.263 28.291 30.300 -1.244 0.000 0.861 348 R HN 0.557 nan 8.270 nan 0.000 0.442 349 L N 0.964 122.300 121.223 0.188 0.000 2.027 349 L HA -0.072 4.268 4.340 -0.001 0.000 0.206 349 L C 2.151 179.056 176.870 0.057 0.000 1.074 349 L CA 1.493 56.484 54.840 0.253 0.000 0.745 349 L CB -0.632 41.570 42.059 0.238 0.000 0.898 349 L HN 0.059 nan 8.230 nan 0.000 0.433 350 L N -0.329 120.894 121.223 -0.001 0.000 2.079 350 L HA -0.243 4.096 4.340 -0.001 0.000 0.210 350 L C 2.584 179.422 176.870 -0.054 0.000 1.081 350 L CA 1.737 56.556 54.840 -0.034 0.000 0.752 350 L CB -0.646 41.383 42.059 -0.051 0.000 0.896 350 L HN 0.471 nan 8.230 nan 0.000 0.433 351 E N 0.893 121.044 120.200 -0.082 0.000 2.038 351 E HA -0.252 4.097 4.350 -0.001 0.000 0.195 351 E C 2.251 178.818 176.600 -0.056 0.000 1.000 351 E CA 1.622 57.968 56.400 -0.090 0.000 0.803 351 E CB -0.093 29.521 29.700 -0.143 0.000 0.750 351 E HN 0.445 nan 8.360 nan 0.000 0.448 352 I N 0.662 121.217 120.570 -0.026 0.000 2.202 352 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 352 I C 2.394 178.476 176.117 -0.060 0.000 1.091 352 I CA 0.878 62.163 61.300 -0.026 0.000 1.368 352 I CB -0.187 37.822 38.000 0.014 0.000 1.058 352 I HN 0.206 nan 8.210 nan 0.000 0.410 353 L N 0.382 121.565 121.223 -0.067 0.000 2.131 353 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 353 L C 2.726 179.560 176.870 -0.061 0.000 1.092 353 L CA 1.496 56.286 54.840 -0.083 0.000 0.759 353 L CB -0.770 41.247 42.059 -0.070 0.000 0.903 353 L HN 0.372 nan 8.230 nan 0.000 0.435 354 S N -0.681 114.988 115.700 -0.050 0.000 2.447 354 S HA -0.203 4.267 4.470 -0.001 0.000 0.233 354 S C 1.703 176.276 174.600 -0.045 0.000 1.006 354 S CA 0.796 58.970 58.200 -0.044 0.000 0.957 354 S CB -0.219 62.955 63.200 -0.044 0.000 0.773 354 S HN 0.542 nan 8.310 nan 0.000 0.507 355 Q N 0.596 120.366 119.800 -0.050 0.000 2.280 355 Q HA 0.269 4.609 4.340 -0.001 0.000 0.201 355 Q C -0.476 175.493 176.000 -0.053 0.000 0.890 355 Q CA -0.000 55.774 55.803 -0.048 0.000 0.947 355 Q CB 0.299 29.009 28.738 -0.047 0.000 1.081 355 Q HN 0.518 nan 8.270 nan 0.000 0.502 356 D N -0.348 120.016 120.400 -0.060 0.000 2.308 356 D HA 0.133 4.773 4.640 -0.001 0.000 0.242 356 D C 0.621 176.888 176.300 -0.055 0.000 1.059 356 D CA 0.061 54.021 54.000 -0.066 0.000 0.830 356 D CB 1.532 42.277 40.800 -0.091 0.000 1.161 356 D HN 0.131 nan 8.370 nan 0.000 0.494 357 Q N 3.677 123.446 119.800 -0.051 0.000 2.364 357 Q HA -0.081 4.259 4.340 -0.001 0.000 0.207 357 Q C 1.098 177.073 176.000 -0.041 0.000 0.970 357 Q CA 0.915 56.692 55.803 -0.043 0.000 0.888 357 Q CB -0.342 28.370 28.738 -0.043 0.000 0.951 357 Q HN 0.494 nan 8.270 nan 0.000 0.469 358 R N 1.790 122.261 120.500 -0.048 0.000 2.637 358 R HA 0.348 4.688 4.340 -0.001 0.000 0.269 358 R C -0.359 175.945 176.300 0.007 0.000 1.089 358 R CA -0.159 55.924 56.100 -0.028 0.000 1.177 358 R CB 0.396 30.676 30.300 -0.033 0.000 1.091 358 R HN 0.677 nan 8.270 nan 0.000 0.540 359 D N -0.556 119.890 120.400 0.078 0.000 2.383 359 D HA -0.024 4.615 4.640 -0.001 0.000 0.248 359 D C 0.788 177.113 176.300 0.043 0.000 1.170 359 D CA -0.505 53.534 54.000 0.065 0.000 0.977 359 D CB 0.835 41.691 40.800 0.094 0.000 1.120 359 D HN 0.435 nan 8.370 nan 0.000 0.481 360 S N -0.149 115.565 115.700 0.023 0.000 2.382 360 S HA -0.303 4.166 4.470 -0.001 0.000 0.228 360 S C 1.643 176.299 174.600 0.093 0.000 1.027 360 S CA 1.413 59.635 58.200 0.036 0.000 0.991 360 S CB -0.556 62.698 63.200 0.089 0.000 0.823 360 S HN 0.600 nan 8.310 nan 0.000 0.469 361 E N 1.778 121.996 120.200 0.031 0.000 2.049 361 E HA -0.243 4.107 4.350 -0.001 0.000 0.198 361 E C 1.996 178.541 176.600 -0.092 0.000 1.007 361 E CA 2.071 58.444 56.400 -0.045 0.000 0.809 361 E CB -0.649 28.937 29.700 -0.190 0.000 0.749 361 E HN 0.762 nan 8.360 nan 0.000 0.450 362 H N -0.615 118.465 119.070 0.016 0.000 2.395 362 H HA -0.012 4.543 4.556 -0.001 0.000 0.299 362 H C 2.292 177.577 175.328 -0.072 0.000 1.070 362 H CA 1.399 57.434 56.048 -0.022 0.000 1.356 362 H CB -0.240 29.497 29.762 -0.043 0.000 1.401 362 H HN 0.111 nan 8.280 nan 0.000 0.524 363 V N 0.820 120.724 119.914 -0.017 0.000 2.287 363 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 363 V C 2.238 178.189 176.094 -0.238 0.000 1.053 363 V CA 1.879 64.049 62.300 -0.216 0.000 1.027 363 V CB -0.781 30.827 31.823 -0.360 0.000 0.646 363 V HN 0.231 nan 8.190 nan 0.000 0.447 364 F N 0.676 120.648 119.950 0.036 0.000 2.293 364 F HA -0.099 4.428 4.527 -0.001 0.000 0.297 364 F C 2.692 178.571 175.800 0.131 0.000 1.089 364 F CA 1.045 59.137 58.000 0.153 0.000 1.377 364 F CB -0.376 38.684 39.000 0.100 0.000 1.051 364 F HN 0.246 nan 8.300 nan 0.000 0.511 365 S N 0.390 116.209 115.700 0.198 0.000 2.423 365 S HA -0.142 4.328 4.470 -0.001 0.000 0.231 365 S C 2.131 176.783 174.600 0.086 0.000 1.014 365 S CA 0.724 58.997 58.200 0.122 0.000 0.965 365 S CB -0.725 62.501 63.200 0.043 0.000 0.785 365 S HN 0.241 nan 8.310 nan 0.000 0.495 366 A N 0.801 123.618 122.820 -0.005 0.000 2.070 366 A HA 0.239 4.559 4.320 -0.001 0.000 0.220 366 A C 0.600 178.129 177.584 -0.092 0.000 1.159 366 A CA 0.370 52.349 52.037 -0.097 0.000 0.656 366 A CB -0.783 18.078 19.000 -0.232 0.000 0.800 366 A HN 0.481 nan 8.150 nan 0.000 0.453 367 F N 0.558 120.551 119.950 0.072 0.000 2.450 367 F HA 0.340 4.867 4.527 -0.000 0.000 0.339 367 F C -1.756 174.076 175.800 0.053 0.000 1.146 367 F CA -2.379 55.663 58.000 0.070 0.000 1.267 367 F CB 0.031 39.089 39.000 0.098 0.000 1.178 367 F HN -0.003 nan 8.300 nan 0.000 0.585 368 P HA 0.118 nan 4.420 nan 0.000 0.268 368 P C -1.208 176.163 177.300 0.118 0.000 1.205 368 P CA -0.129 63.056 63.100 0.141 0.000 0.771 368 P CB 0.632 32.397 31.700 0.109 0.000 0.858 369 S N 1.709 117.457 115.700 0.080 0.000 2.532 369 S HA 0.472 4.942 4.470 -0.001 0.000 0.299 369 S C -0.589 174.031 174.600 0.033 0.000 1.105 369 S CA -0.653 57.580 58.200 0.055 0.000 1.018 369 S CB 1.515 64.745 63.200 0.049 0.000 1.021 369 S HN 0.346 nan 8.310 nan 0.000 0.483 370 D N 0.981 121.393 120.400 0.020 0.000 2.569 370 D HA 0.519 5.159 4.640 -0.001 0.000 0.266 370 D C -0.155 176.130 176.300 -0.025 0.000 1.164 370 D CA -0.693 53.311 54.000 0.007 0.000 1.071 370 D CB 0.755 41.568 40.800 0.021 0.000 1.183 370 D HN 0.368 nan 8.370 nan 0.000 0.613 371 I N 0.827 121.372 120.570 -0.042 0.000 2.312 371 I HA 0.193 4.362 4.170 -0.001 0.000 0.291 371 I C 0.464 176.516 176.117 -0.109 0.000 1.031 371 I CA -0.162 61.098 61.300 -0.066 0.000 1.293 371 I CB 0.753 38.717 38.000 -0.060 0.000 1.403 371 I HN 0.138 nan 8.210 nan 0.000 0.484 372 S N 3.689 119.316 115.700 -0.121 0.000 2.568 372 S HA 0.741 5.211 4.470 -0.001 0.000 0.302 372 S C -0.143 174.366 174.600 -0.152 0.000 1.082 372 S CA -0.649 57.450 58.200 -0.169 0.000 1.009 372 S CB 1.926 65.020 63.200 -0.176 0.000 1.069 372 S HN 0.650 nan 8.310 nan 0.000 0.500 373 T N -0.071 114.386 114.554 -0.161 0.000 2.927 373 T HA 0.762 5.112 4.350 -0.001 0.000 0.281 373 T C -2.738 171.880 174.700 -0.137 0.000 0.998 373 T CA -1.650 60.375 62.100 -0.125 0.000 1.019 373 T CB 0.388 69.201 68.868 -0.092 0.000 1.061 373 T HN 0.525 nan 8.240 nan 0.000 0.518 374 P HA 0.332 nan 4.420 nan 0.000 0.279 374 P C -0.537 176.704 177.300 -0.098 0.000 1.282 374 P CA -0.750 62.282 63.100 -0.112 0.000 0.788 374 P CB 0.257 31.913 31.700 -0.074 0.000 1.139 375 E N 0.122 120.273 120.200 -0.081 0.000 2.376 375 E HA 0.202 4.551 4.350 -0.001 0.000 0.266 375 E C -0.736 175.844 176.600 -0.033 0.000 1.009 375 E CA -0.078 56.284 56.400 -0.063 0.000 0.902 375 E CB -0.107 29.574 29.700 -0.032 0.000 0.972 375 E HN 0.224 nan 8.360 nan 0.000 0.439 376 I N 4.344 124.895 120.570 -0.032 0.000 2.412 376 I HA 0.289 4.459 4.170 -0.001 0.000 0.296 376 I C -0.324 175.819 176.117 0.044 0.000 0.987 376 I CA -0.880 60.432 61.300 0.020 0.000 1.180 376 I CB 1.664 39.684 38.000 0.033 0.000 1.340 376 I HN 0.470 nan 8.210 nan 0.000 0.455 377 N N 6.156 124.894 118.700 0.063 0.000 2.314 377 N HA 0.633 5.373 4.740 -0.001 0.000 0.304 377 N C -1.090 174.472 175.510 0.086 0.000 1.073 377 N CA -0.402 52.686 53.050 0.063 0.000 0.822 377 N CB 2.205 40.719 38.487 0.046 0.000 1.280 377 N HN 0.402 nan 8.380 nan 0.000 0.489 378 I N 1.389 122.010 120.570 0.084 0.000 2.476 378 I HA 0.181 4.350 4.170 -0.001 0.000 0.281 378 I C -0.310 175.838 176.117 0.052 0.000 1.040 378 I CA -0.582 60.769 61.300 0.085 0.000 1.094 378 I CB 1.536 39.607 38.000 0.118 0.000 1.219 378 I HN 0.259 nan 8.210 nan 0.000 0.450 379 T N 6.071 120.648 114.554 0.039 0.000 2.784 379 T HA 0.236 4.586 4.350 -0.001 0.000 0.291 379 T C 0.790 175.500 174.700 0.017 0.000 0.942 379 T CA -0.246 61.867 62.100 0.022 0.000 1.161 379 T CB 0.768 69.648 68.868 0.020 0.000 0.885 379 T HN 0.495 nan 8.240 nan 0.000 0.534 380 V N 1.422 121.338 119.914 0.004 0.000 6.976 380 V HA 0.867 4.987 4.120 -0.001 0.000 0.265 380 V C 0.428 176.514 176.094 -0.013 0.000 1.690 380 V CA -0.279 62.020 62.300 -0.001 0.000 0.585 380 V CB 0.820 32.642 31.823 -0.002 0.000 1.621 380 V HN 0.826 nan 8.190 nan 0.000 0.353 381 T N -3.766 110.772 114.554 -0.026 0.000 2.883 381 T HA 0.499 4.849 4.350 -0.001 0.000 0.301 381 T C 0.441 175.106 174.700 -0.057 0.000 1.158 381 T CA 0.229 62.312 62.100 -0.028 0.000 1.007 381 T CB 2.164 71.024 68.868 -0.013 0.000 1.186 381 T HN 0.659 nan 8.240 nan 0.000 0.499 382 E N 0.946 121.115 120.200 -0.052 0.000 2.070 382 E HA -0.164 4.185 4.350 -0.001 0.000 0.197 382 E C 1.320 177.882 176.600 -0.064 0.000 1.004 382 E CA 2.020 58.376 56.400 -0.072 0.000 0.805 382 E CB -0.506 29.177 29.700 -0.027 0.000 0.744 382 E HN 0.761 nan 8.360 nan 0.000 0.451 383 D N -1.200 119.188 120.400 -0.021 0.000 2.178 383 D HA -0.099 4.541 4.640 -0.001 0.000 0.201 383 D C 1.846 178.149 176.300 0.005 0.000 0.980 383 D CA 1.585 55.589 54.000 0.006 0.000 0.842 383 D CB -0.236 40.573 40.800 0.014 0.000 0.948 383 D HN 0.293 nan 8.370 nan 0.000 0.472 384 S N -0.909 114.780 115.700 -0.018 0.000 2.517 384 S HA 0.055 4.525 4.470 -0.001 0.000 0.214 384 S C 1.657 176.237 174.600 -0.033 0.000 0.991 384 S CA -0.056 58.140 58.200 -0.006 0.000 0.906 384 S CB 0.308 63.507 63.200 -0.002 0.000 0.789 384 S HN 0.068 nan 8.310 nan 0.000 0.513 385 K N 1.145 121.468 120.400 -0.129 0.000 1.987 385 K HA -0.131 4.189 4.320 -0.001 0.000 0.216 385 K C 1.547 178.042 176.600 -0.176 0.000 1.051 385 K CA 2.136 58.277 56.287 -0.243 0.000 0.942 385 K CB -0.462 31.729 32.500 -0.514 0.000 0.722 385 K HN 0.479 nan 8.250 nan 0.000 0.444 386 F N 0.428 120.398 119.950 0.034 0.000 2.186 386 F HA -0.094 4.433 4.527 -0.000 0.000 0.299 386 F C 2.479 178.299 175.800 0.033 0.000 1.090 386 F CA 0.520 58.538 58.000 0.031 0.000 1.307 386 F CB -0.251 38.762 39.000 0.022 0.000 1.019 386 F HN 0.210 nan 8.300 nan 0.000 0.489 387 A N 0.486 123.426 122.820 0.201 0.000 2.019 387 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 387 A C 2.119 179.763 177.584 0.100 0.000 1.164 387 A CA 1.365 53.479 52.037 0.129 0.000 0.644 387 A CB -1.003 18.052 19.000 0.092 0.000 0.805 387 A HN 0.444 nan 8.150 nan 0.000 0.449 388 I N -0.183 120.442 120.570 0.091 0.000 2.252 388 I HA -0.198 3.972 4.170 -0.001 0.000 0.245 388 I C 2.058 178.242 176.117 0.111 0.000 1.102 388 I CA 0.732 62.083 61.300 0.086 0.000 1.385 388 I CB -0.256 37.788 38.000 0.074 0.000 1.064 388 I HN 0.218 nan 8.210 nan 0.000 0.414 389 I N 0.945 121.595 120.570 0.133 0.000 2.226 389 I HA -0.251 3.919 4.170 -0.001 0.000 0.245 389 I C 2.406 178.598 176.117 0.125 0.000 1.100 389 I CA 1.697 63.084 61.300 0.145 0.000 1.374 389 I CB -1.300 36.800 38.000 0.167 0.000 1.057 389 I HN 0.323 nan 8.210 nan 0.000 0.413 390 E N 1.010 121.280 120.200 0.117 0.000 2.077 390 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 390 E C 2.362 179.008 176.600 0.076 0.000 0.989 390 E CA 1.423 57.875 56.400 0.087 0.000 0.800 390 E CB -0.171 29.575 29.700 0.077 0.000 0.746 390 E HN 0.498 nan 8.360 nan 0.000 0.452 391 A N 0.991 123.856 122.820 0.075 0.000 1.902 391 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 391 A C 2.167 179.788 177.584 0.063 0.000 1.181 391 A CA 0.989 53.060 52.037 0.056 0.000 0.623 391 A CB -0.572 18.456 19.000 0.048 0.000 0.818 391 A HN 0.126 nan 8.150 nan 0.000 0.443 392 L N -0.895 120.385 121.223 0.096 0.000 1.994 392 L HA -0.270 4.070 4.340 -0.001 0.000 0.208 392 L C 2.914 179.882 176.870 0.162 0.000 1.071 392 L CA 1.785 56.706 54.840 0.135 0.000 0.745 392 L CB -0.729 41.463 42.059 0.222 0.000 0.892 392 L HN 0.476 nan 8.230 nan 0.000 0.431 393 Q N -0.513 119.374 119.800 0.145 0.000 2.197 393 Q HA -0.224 4.115 4.340 -0.001 0.000 0.207 393 Q C 2.340 178.399 176.000 0.097 0.000 0.984 393 Q CA 1.436 57.315 55.803 0.126 0.000 0.869 393 Q CB -0.086 28.700 28.738 0.080 0.000 0.906 393 Q HN 0.447 nan 8.270 nan 0.000 0.426 394 R N -0.077 120.465 120.500 0.071 0.000 2.066 394 R HA -0.049 4.291 4.340 -0.001 0.000 0.224 394 R C 0.788 177.109 176.300 0.035 0.000 1.122 394 R CA 1.205 57.333 56.100 0.047 0.000 0.974 394 R CB 0.311 30.631 30.300 0.033 0.000 0.871 394 R HN 0.245 nan 8.270 nan 0.000 0.435 395 D N -0.779 119.634 120.400 0.022 0.000 2.500 395 D HA 0.151 4.791 4.640 -0.001 0.000 0.218 395 D C -0.132 176.119 176.300 -0.081 0.000 1.140 395 D CA -0.023 53.965 54.000 -0.019 0.000 0.830 395 D CB 0.669 41.454 40.800 -0.025 0.000 1.055 395 D HN 0.078 nan 8.370 nan 0.000 0.512 396 A N 0.689 123.452 122.820 -0.095 0.000 2.445 396 A HA 0.497 4.817 4.320 -0.001 0.000 0.242 396 A C 0.501 177.809 177.584 -0.460 0.000 1.075 396 A CA 0.174 51.989 52.037 -0.370 0.000 0.777 396 A CB 0.060 18.798 19.000 -0.437 0.000 1.013 396 A HN 0.153 nan 8.150 nan 0.000 0.493 397 Q N 0.303 119.707 119.800 -0.660 0.000 2.331 397 Q HA 0.528 4.868 4.340 -0.001 0.000 0.267 397 Q C -0.675 175.019 176.000 -0.510 0.000 1.006 397 Q CA -0.444 55.120 55.803 -0.399 0.000 0.818 397 Q CB 0.706 29.322 28.738 -0.204 0.000 1.276 397 Q HN 0.944 nan 8.270 nan 0.000 0.450 398 W N 1.778 123.101 121.300 0.039 0.000 2.599 398 W HA 0.486 5.146 4.660 -0.001 0.000 0.396 398 W C 1.269 177.916 176.519 0.213 0.000 0.944 398 W CA 0.203 57.614 57.345 0.110 0.000 2.042 398 W CB 0.794 30.278 29.460 0.041 0.000 1.184 398 W HN 1.469 nan 8.180 nan 0.000 0.604 399 G N 1.868 110.841 108.800 0.288 0.000 2.559 399 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.282 399 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.282 399 G C 0.640 175.681 174.900 0.236 0.000 1.177 399 G CA 1.364 46.614 45.100 0.250 0.000 0.960 399 G HN 0.370 nan 8.290 nan 0.000 0.540 400 E N 0.844 121.215 120.200 0.286 0.000 2.603 400 E HA 0.595 4.945 4.350 -0.001 0.000 0.211 400 E C 1.405 178.114 176.600 0.182 0.000 0.995 400 E CA 1.115 57.636 56.400 0.200 0.000 0.990 400 E CB 0.215 30.016 29.700 0.168 0.000 1.036 400 E HN 2.063 nan 8.360 nan 0.000 0.475 401 G N -0.040 108.881 108.800 0.201 0.000 2.474 401 G HA2 0.347 4.306 3.960 -0.001 0.000 0.233 401 G HA3 0.347 4.306 3.960 -0.001 0.000 0.233 401 G C 0.359 175.173 174.900 -0.144 0.000 1.278 401 G CA 0.368 45.314 45.100 -0.257 0.000 0.861 401 G HN 0.824 nan 8.290 nan 0.000 0.567 402 N N 1.038 119.622 118.700 -0.193 0.000 2.422 402 N HA 0.502 5.242 4.740 -0.001 0.000 0.264 402 N C 0.027 175.427 175.510 -0.182 0.000 1.063 402 N CA -0.448 52.528 53.050 -0.123 0.000 0.959 402 N CB 0.616 39.050 38.487 -0.088 0.000 1.087 402 N HN 0.570 nan 8.380 nan 0.000 0.483 403 I N 1.658 122.143 120.570 -0.142 0.000 2.315 403 I HA 0.241 4.411 4.170 -0.001 0.000 0.291 403 I C 0.145 176.181 176.117 -0.135 0.000 1.006 403 I CA -0.480 60.708 61.300 -0.187 0.000 1.265 403 I CB 1.631 39.555 38.000 -0.126 0.000 1.387 403 I HN 0.406 nan 8.210 nan 0.000 0.475 404 T N 3.660 118.120 114.554 -0.156 0.000 2.756 404 T HA 0.253 4.603 4.350 -0.001 0.000 0.290 404 T C 0.723 175.351 174.700 -0.121 0.000 0.985 404 T CA -0.491 61.534 62.100 -0.124 0.000 0.955 404 T CB 0.820 69.608 68.868 -0.132 0.000 0.930 404 T HN 0.740 nan 8.240 nan 0.000 0.451 405 T N 1.634 116.130 114.554 -0.096 0.000 3.248 405 T HA 0.288 4.638 4.350 -0.001 0.000 0.271 405 T C 1.731 176.365 174.700 -0.110 0.000 1.005 405 T CA -0.352 61.698 62.100 -0.083 0.000 0.902 405 T CB -0.379 68.462 68.868 -0.045 0.000 1.102 405 T HN 0.408 nan 8.240 nan 0.000 0.548 406 L N 0.550 121.677 121.223 -0.160 0.000 2.079 406 L HA 0.062 4.402 4.340 -0.001 0.000 0.210 406 L C 0.848 177.559 176.870 -0.264 0.000 1.081 406 L CA 1.289 55.972 54.840 -0.261 0.000 0.752 406 L CB -0.032 41.803 42.059 -0.374 0.000 0.896 406 L HN 0.388 nan 8.230 nan 0.000 0.433 407 D N -0.872 119.415 120.400 -0.189 0.000 2.337 407 D HA 0.376 5.016 4.640 -0.001 0.000 0.238 407 D C 0.150 176.414 176.300 -0.061 0.000 1.331 407 D CA 0.812 54.731 54.000 -0.135 0.000 0.967 407 D CB 0.531 41.230 40.800 -0.168 0.000 1.382 407 D HN 0.242 nan 8.370 nan 0.000 0.549 408 G N 1.263 110.053 108.800 -0.018 0.000 2.525 408 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.248 408 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.248 408 G C -0.873 174.030 174.900 0.006 0.000 1.238 408 G CA -0.020 45.097 45.100 0.028 0.000 0.926 408 G HN 0.821 nan 8.290 nan 0.000 0.574 409 V N 1.325 121.255 119.914 0.026 0.000 2.376 409 V HA 0.671 4.790 4.120 -0.001 0.000 0.287 409 V C 0.424 176.490 176.094 -0.047 0.000 1.015 409 V CA -0.105 62.174 62.300 -0.036 0.000 0.834 409 V CB 1.355 33.169 31.823 -0.015 0.000 1.001 409 V HN 0.910 nan 8.190 nan 0.000 0.428 410 R N 3.910 124.345 120.500 -0.107 0.000 2.514 410 R HA 0.828 5.167 4.340 -0.001 0.000 0.301 410 R C -1.827 174.369 176.300 -0.173 0.000 0.962 410 R CA -0.419 55.640 56.100 -0.069 0.000 0.882 410 R CB 2.053 32.299 30.300 -0.091 0.000 1.143 410 R HN 0.480 nan 8.270 nan 0.000 0.452 411 V N 4.141 123.995 119.914 -0.101 0.000 2.443 411 V HA 0.266 4.385 4.120 -0.001 0.000 0.293 411 V C -0.829 175.167 176.094 -0.164 0.000 1.021 411 V CA -0.841 61.291 62.300 -0.281 0.000 0.848 411 V CB 1.796 33.297 31.823 -0.536 0.000 0.998 411 V HN 0.821 nan 8.190 nan 0.000 0.424 412 D N 3.989 124.253 120.400 -0.228 0.000 2.329 412 D HA 0.407 5.047 4.640 -0.001 0.000 0.232 412 D C -0.865 175.319 176.300 -0.194 0.000 1.088 412 D CA 0.070 54.011 54.000 -0.097 0.000 0.835 412 D CB 1.681 42.424 40.800 -0.094 0.000 1.078 412 D HN 0.432 nan 8.370 nan 0.000 0.495 413 Y N 1.800 122.208 120.300 0.180 0.000 2.519 413 Y HA 0.207 4.757 4.550 -0.000 0.000 0.324 413 Y C -0.894 175.081 175.900 0.125 0.000 1.214 413 Y CA -1.727 56.462 58.100 0.148 0.000 1.260 413 Y CB 0.726 39.285 38.460 0.165 0.000 1.311 413 Y HN 0.262 nan 8.280 nan 0.000 0.505 414 P HA -0.143 nan 4.420 nan 0.000 0.218 414 P C 0.699 178.093 177.300 0.158 0.000 1.149 414 P CA 1.938 65.139 63.100 0.168 0.000 0.817 414 P CB 0.126 31.906 31.700 0.134 0.000 0.785 415 K N -0.340 120.166 120.400 0.176 0.000 2.374 415 K HA 0.528 4.847 4.320 -0.001 0.000 0.202 415 K C 0.909 177.601 176.600 0.152 0.000 1.040 415 K CA 0.587 56.953 56.287 0.132 0.000 1.085 415 K CB 0.546 33.096 32.500 0.085 0.000 0.873 415 K HN 0.438 nan 8.250 nan 0.000 0.539 416 G N -0.518 108.428 108.800 0.242 0.000 2.430 416 G HA2 0.571 4.531 3.960 -0.001 0.000 0.300 416 G HA3 0.571 4.531 3.960 -0.001 0.000 0.300 416 G C -1.683 173.473 174.900 0.426 0.000 1.330 416 G CA -0.066 45.178 45.100 0.241 0.000 0.813 416 G HN 0.664 nan 8.290 nan 0.000 0.487 417 W N -1.099 120.282 121.300 0.135 0.000 2.959 417 W HA 0.782 5.442 4.660 -0.001 0.000 0.358 417 W C -0.576 175.936 176.519 -0.011 0.000 1.228 417 W CA -1.009 56.392 57.345 0.094 0.000 1.183 417 W CB 1.198 30.650 29.460 -0.013 0.000 1.467 417 W HN 1.561 nan 8.180 nan 0.000 0.578 418 G N 0.796 109.634 108.800 0.064 0.000 2.696 418 G HA2 0.642 4.601 3.960 -0.001 0.000 0.295 418 G HA3 0.642 4.601 3.960 -0.001 0.000 0.295 418 G C -2.759 171.903 174.900 -0.396 0.000 1.398 418 G CA -0.917 43.758 45.100 -0.710 0.000 0.920 418 G HN 0.690 nan 8.290 nan 0.000 0.492 419 L N 1.141 121.986 121.223 -0.631 0.000 2.408 419 L HA 0.877 5.216 4.340 -0.001 0.000 0.268 419 L C -1.232 175.517 176.870 -0.201 0.000 0.986 419 L CA -1.052 53.681 54.840 -0.179 0.000 0.820 419 L CB 2.141 44.213 42.059 0.022 0.000 1.303 419 L HN 0.702 nan 8.230 nan 0.000 0.411 420 V N 6.156 126.119 119.914 0.081 0.000 2.686 420 V HA 0.890 5.009 4.120 -0.001 0.000 0.306 420 V C -1.047 175.112 176.094 0.108 0.000 1.065 420 V CA -0.219 62.154 62.300 0.123 0.000 0.894 420 V CB 1.811 33.824 31.823 0.316 0.000 1.004 420 V HN 1.077 nan 8.190 nan 0.000 0.424 421 R N 5.131 125.681 120.500 0.083 0.000 2.752 421 R HA 0.909 5.249 4.340 -0.001 0.000 0.271 421 R C -1.235 175.117 176.300 0.087 0.000 1.026 421 R CA -0.478 55.674 56.100 0.088 0.000 0.901 421 R CB 1.806 32.144 30.300 0.063 0.000 1.243 421 R HN 0.967 nan 8.270 nan 0.000 0.463 422 A N 1.059 123.946 122.820 0.112 0.000 2.301 422 A HA 0.452 4.772 4.320 -0.001 0.000 0.312 422 A C -0.030 177.600 177.584 0.077 0.000 1.182 422 A CA -0.417 51.654 52.037 0.056 0.000 0.826 422 A CB 1.235 20.235 19.000 0.000 0.000 1.134 422 A HN 0.709 nan 8.150 nan 0.000 0.501 423 S N 1.665 117.377 115.700 0.020 0.000 2.564 423 S HA 0.062 4.531 4.470 -0.001 0.000 0.278 423 S C 0.621 175.256 174.600 0.058 0.000 1.333 423 S CA -0.494 57.734 58.200 0.047 0.000 1.048 423 S CB 0.096 63.312 63.200 0.027 0.000 0.900 423 S HN 0.646 nan 8.310 nan 0.000 0.505 424 N N 2.298 121.065 118.700 0.113 0.000 2.398 424 N HA 0.023 4.763 4.740 -0.001 0.000 0.188 424 N C 0.766 176.331 175.510 0.092 0.000 1.122 424 N CA 0.862 54.000 53.050 0.146 0.000 0.866 424 N CB 0.383 38.939 38.487 0.114 0.000 0.970 424 N HN 0.846 nan 8.380 nan 0.000 0.462 425 T N -3.389 111.203 114.554 0.064 0.000 3.262 425 T HA 0.140 4.490 4.350 -0.001 0.000 0.300 425 T C 0.249 174.975 174.700 0.043 0.000 0.959 425 T CA -0.350 61.786 62.100 0.060 0.000 0.936 425 T CB 0.070 68.983 68.868 0.075 0.000 1.169 425 T HN 0.078 nan 8.240 nan 0.000 0.532 426 T N -0.570 113.995 114.554 0.019 0.000 2.889 426 T HA 0.567 4.917 4.350 -0.001 0.000 0.315 426 T C -3.449 171.229 174.700 -0.037 0.000 1.291 426 T CA -1.592 60.511 62.100 0.005 0.000 1.028 426 T CB 2.129 71.009 68.868 0.020 0.000 1.235 426 T HN -0.189 nan 8.240 nan 0.000 0.491 427 P HA 0.430 nan 4.420 nan 0.000 0.225 427 P C -0.841 176.429 177.300 -0.050 0.000 1.813 427 P CA -0.274 62.784 63.100 -0.071 0.000 1.013 427 P CB -0.146 31.528 31.700 -0.044 0.000 1.961 428 V N 2.871 122.755 119.914 -0.051 0.000 2.888 428 V HA 0.335 4.455 4.120 -0.001 0.000 0.309 428 V C 0.108 176.196 176.094 -0.009 0.000 1.114 428 V CA -0.884 61.407 62.300 -0.014 0.000 0.940 428 V CB 2.955 34.784 31.823 0.009 0.000 1.021 428 V HN 0.170 nan 8.190 nan 0.000 0.426 429 L N 3.844 125.082 121.223 0.024 0.000 2.289 429 L HA 0.645 4.985 4.340 -0.001 0.000 0.285 429 L C -0.671 176.237 176.870 0.062 0.000 1.049 429 L CA -0.715 54.155 54.840 0.051 0.000 0.804 429 L CB 1.735 43.846 42.059 0.087 0.000 1.195 429 L HN 0.334 nan 8.230 nan 0.000 0.428 430 V N 4.821 124.766 119.914 0.051 0.000 2.459 430 V HA 0.498 4.618 4.120 -0.001 0.000 0.295 430 V C 0.064 176.153 176.094 -0.009 0.000 1.029 430 V CA -0.523 61.794 62.300 0.028 0.000 0.874 430 V CB 2.030 33.869 31.823 0.026 0.000 0.985 430 V HN 0.462 nan 8.190 nan 0.000 0.438 431 L N 4.662 125.846 121.223 -0.064 0.000 2.333 431 L HA 0.755 5.094 4.340 -0.001 0.000 0.263 431 L C -0.380 176.268 176.870 -0.370 0.000 1.014 431 L CA -0.859 53.837 54.840 -0.240 0.000 0.820 431 L CB 2.475 44.383 42.059 -0.252 0.000 1.352 431 L HN 0.605 nan 8.230 nan 0.000 0.421 432 R N 0.500 120.578 120.500 -0.705 0.000 2.643 432 R HA 0.734 5.074 4.340 -0.001 0.000 0.269 432 R C -1.898 173.623 176.300 -1.298 0.000 1.037 432 R CA -0.484 55.207 56.100 -0.681 0.000 0.894 432 R CB 2.687 32.776 30.300 -0.352 0.000 1.238 432 R HN 0.374 nan 8.270 nan 0.000 0.459 433 F N 0.299 119.834 119.950 -0.692 0.000 2.601 433 F HA 0.506 5.032 4.527 -0.001 0.000 0.309 433 F C -0.322 174.968 175.800 -0.850 0.000 1.089 433 F CA -0.642 56.863 58.000 -0.825 0.000 0.940 433 F CB 2.500 41.142 39.000 -0.598 0.000 1.273 433 F HN 0.346 nan 8.300 nan 0.000 0.450 434 E N 1.413 121.136 120.200 -0.795 0.000 2.375 434 E HA 0.811 5.161 4.350 -0.001 0.000 0.280 434 E C -1.986 174.395 176.600 -0.365 0.000 0.972 434 E CA -0.778 55.272 56.400 -0.585 0.000 0.782 434 E CB 2.524 31.806 29.700 -0.697 0.000 1.229 434 E HN 0.899 nan 8.360 nan 0.000 0.439 435 A N 2.638 125.365 122.820 -0.156 0.000 2.586 435 A HA 0.400 4.720 4.320 -0.001 0.000 0.291 435 A C -0.559 177.015 177.584 -0.017 0.000 1.062 435 A CA -0.134 51.877 52.037 -0.042 0.000 0.666 435 A CB 1.050 20.032 19.000 -0.030 0.000 1.281 435 A HN 0.736 nan 8.150 nan 0.000 0.421 436 D N 0.297 120.706 120.400 0.016 0.000 2.084 436 D HA 0.053 4.692 4.640 -0.001 0.000 0.199 436 D C 1.200 177.499 176.300 -0.001 0.000 0.981 436 D CA 2.068 56.076 54.000 0.014 0.000 0.841 436 D CB -0.766 40.051 40.800 0.028 0.000 0.997 436 D HN 0.798 nan 8.370 nan 0.000 0.454 437 T N -2.496 112.057 114.554 -0.002 0.000 2.918 437 T HA 0.267 4.617 4.350 -0.001 0.000 0.283 437 T C 0.847 175.533 174.700 -0.023 0.000 1.001 437 T CA -0.752 61.343 62.100 -0.010 0.000 1.041 437 T CB 1.919 70.784 68.868 -0.005 0.000 1.028 437 T HN 0.044 nan 8.240 nan 0.000 0.511 438 E N 0.895 121.079 120.200 -0.027 0.000 2.107 438 E HA -0.082 4.267 4.350 -0.001 0.000 0.191 438 E C 2.618 179.195 176.600 -0.038 0.000 0.982 438 E CA 1.227 57.604 56.400 -0.038 0.000 0.809 438 E CB -0.305 29.373 29.700 -0.036 0.000 0.756 438 E HN 0.953 nan 8.360 nan 0.000 0.459 439 E N 1.428 121.611 120.200 -0.028 0.000 2.209 439 E HA -0.265 4.085 4.350 -0.001 0.000 0.196 439 E C 1.675 178.256 176.600 -0.031 0.000 0.993 439 E CA 1.719 58.102 56.400 -0.027 0.000 0.819 439 E CB -0.576 29.113 29.700 -0.019 0.000 0.745 439 E HN 0.243 nan 8.360 nan 0.000 0.477 440 E N -1.034 119.149 120.200 -0.028 0.000 2.250 440 E HA 0.087 4.436 4.350 -0.001 0.000 0.192 440 E C 1.867 178.444 176.600 -0.039 0.000 0.986 440 E CA 0.461 56.844 56.400 -0.029 0.000 0.849 440 E CB -0.137 29.558 29.700 -0.007 0.000 0.797 440 E HN 0.403 nan 8.360 nan 0.000 0.482 441 L N 1.061 122.251 121.223 -0.055 0.000 1.955 441 L HA -0.151 4.189 4.340 -0.001 0.000 0.213 441 L C 2.137 178.939 176.870 -0.114 0.000 1.072 441 L CA 2.110 56.895 54.840 -0.091 0.000 0.755 441 L CB -0.603 41.390 42.059 -0.109 0.000 0.888 441 L HN 0.104 nan 8.230 nan 0.000 0.432 442 E N -0.664 119.479 120.200 -0.095 0.000 2.118 442 E HA -0.237 4.113 4.350 -0.001 0.000 0.195 442 E C 2.291 178.858 176.600 -0.055 0.000 0.992 442 E CA 0.899 57.246 56.400 -0.087 0.000 0.804 442 E CB -0.295 29.370 29.700 -0.059 0.000 0.741 442 E HN 0.257 nan 8.360 nan 0.000 0.458 443 R N 0.700 121.174 120.500 -0.044 0.000 2.148 443 R HA -0.092 4.248 4.340 -0.001 0.000 0.227 443 R C 1.913 178.214 176.300 0.001 0.000 1.103 443 R CA 1.173 57.255 56.100 -0.030 0.000 0.983 443 R CB -0.410 29.860 30.300 -0.051 0.000 0.874 443 R HN 0.321 nan 8.270 nan 0.000 0.451 444 I N 1.410 121.985 120.570 0.009 0.000 2.480 444 I HA -0.113 4.056 4.170 -0.001 0.000 0.251 444 I C 2.806 179.024 176.117 0.167 0.000 1.124 444 I CA 1.341 62.736 61.300 0.157 0.000 1.444 444 I CB -0.382 37.737 38.000 0.198 0.000 1.098 444 I HN 0.189 nan 8.210 nan 0.000 0.428 445 K N 0.362 120.652 120.400 -0.184 0.000 2.360 445 K HA -0.120 4.200 4.320 -0.001 0.000 0.201 445 K C 1.924 178.607 176.600 0.139 0.000 1.046 445 K CA 1.907 57.956 56.287 -0.398 0.000 0.945 445 K CB -1.412 30.747 32.500 -0.567 0.000 0.750 445 K HN 0.278 nan 8.250 nan 0.000 0.464 446 T N 0.001 114.629 114.554 0.124 0.000 2.937 446 T HA -0.012 4.338 4.350 -0.001 0.000 0.260 446 T C 2.040 176.859 174.700 0.198 0.000 1.051 446 T CA 1.122 63.300 62.100 0.129 0.000 1.141 446 T CB -0.007 68.891 68.868 0.050 0.000 0.879 446 T HN 0.201 nan 8.240 nan 0.000 0.459 447 V N 0.882 120.966 119.914 0.283 0.000 2.427 447 V HA -0.082 4.037 4.120 -0.001 0.000 0.248 447 V C 2.016 178.322 176.094 0.353 0.000 1.051 447 V CA 1.514 63.988 62.300 0.289 0.000 1.048 447 V CB -0.669 31.394 31.823 0.401 0.000 0.666 447 V HN 0.396 nan 8.190 nan 0.000 0.456 448 F N 0.140 120.384 119.950 0.491 0.000 2.128 448 F HA -0.046 4.481 4.527 -0.000 0.000 0.295 448 F C 2.597 178.636 175.800 0.398 0.000 1.100 448 F CA 1.670 60.042 58.000 0.621 0.000 1.260 448 F CB -0.520 38.968 39.000 0.813 0.000 1.009 448 F HN -0.069 nan 8.300 nan 0.000 0.476 449 R N 0.515 121.316 120.500 0.502 0.000 2.096 449 R HA -0.222 4.118 4.340 -0.001 0.000 0.240 449 R C 1.914 178.254 176.300 0.066 0.000 1.139 449 R CA 2.045 58.235 56.100 0.151 0.000 0.952 449 R CB -0.452 29.842 30.300 -0.010 0.000 0.854 449 R HN 0.230 nan 8.270 nan 0.000 0.436 450 N N 0.261 118.994 118.700 0.055 0.000 2.142 450 N HA -0.133 4.607 4.740 -0.001 0.000 0.186 450 N C 1.724 177.188 175.510 -0.077 0.000 1.023 450 N CA 1.050 54.087 53.050 -0.023 0.000 0.852 450 N CB -0.243 38.222 38.487 -0.036 0.000 0.998 450 N HN 0.223 nan 8.380 nan 0.000 0.424 451 Q N 0.323 120.040 119.800 -0.138 0.000 2.167 451 Q HA 0.065 4.405 4.340 -0.001 0.000 0.202 451 Q C 2.204 178.153 176.000 -0.084 0.000 0.970 451 Q CA 0.551 56.198 55.803 -0.260 0.000 0.855 451 Q CB -0.328 28.009 28.738 -0.667 0.000 0.911 451 Q HN 0.426 nan 8.270 nan 0.000 0.438 452 L N 0.273 121.516 121.223 0.033 0.000 2.072 452 L HA -0.135 4.205 4.340 -0.001 0.000 0.205 452 L C 2.213 179.097 176.870 0.022 0.000 1.079 452 L CA 0.937 55.824 54.840 0.078 0.000 0.752 452 L CB -0.182 41.969 42.059 0.153 0.000 0.906 452 L HN 0.057 nan 8.230 nan 0.000 0.436 453 K N 0.008 120.405 120.400 -0.006 0.000 2.155 453 K HA -0.011 4.309 4.320 -0.001 0.000 0.203 453 K C 2.059 178.642 176.600 -0.029 0.000 1.052 453 K CA 1.202 57.476 56.287 -0.022 0.000 0.948 453 K CB -0.259 32.219 32.500 -0.036 0.000 0.728 453 K HN 0.238 nan 8.250 nan 0.000 0.448 454 A N 0.829 123.622 122.820 -0.046 0.000 2.067 454 A HA -0.068 4.252 4.320 -0.001 0.000 0.219 454 A C 2.373 179.934 177.584 -0.037 0.000 1.158 454 A CA 1.042 53.046 52.037 -0.055 0.000 0.661 454 A CB -0.293 18.650 19.000 -0.094 0.000 0.801 454 A HN 0.042 nan 8.150 nan 0.000 0.452 455 V N -0.102 119.799 119.914 -0.022 0.000 2.346 455 V HA -0.015 4.105 4.120 -0.001 0.000 0.244 455 V C 0.545 176.640 176.094 0.002 0.000 1.037 455 V CA 1.840 64.139 62.300 -0.002 0.000 1.029 455 V CB -0.227 31.610 31.823 0.023 0.000 0.663 455 V HN 0.672 nan 8.190 nan 0.000 0.454 456 D N -1.517 118.885 120.400 0.004 0.000 2.470 456 D HA 0.144 4.784 4.640 -0.001 0.000 0.233 456 D C 0.926 177.223 176.300 -0.005 0.000 1.372 456 D CA 0.452 54.454 54.000 0.002 0.000 0.994 456 D CB 1.606 42.413 40.800 0.011 0.000 1.377 456 D HN 0.142 nan 8.370 nan 0.000 0.586 457 S N 1.584 117.278 115.700 -0.011 0.000 2.465 457 S HA -0.135 4.335 4.470 -0.001 0.000 0.241 457 S C 1.328 175.918 174.600 -0.016 0.000 1.000 457 S CA 0.944 59.134 58.200 -0.017 0.000 0.964 457 S CB -0.070 63.119 63.200 -0.018 0.000 0.763 457 S HN 0.252 nan 8.310 nan 0.000 0.512 458 S N 0.790 116.484 115.700 -0.010 0.000 2.556 458 S HA 0.362 4.832 4.470 -0.001 0.000 0.216 458 S C 0.203 174.798 174.600 -0.008 0.000 0.970 458 S CA -0.491 57.703 58.200 -0.010 0.000 0.912 458 S CB -0.254 62.943 63.200 -0.006 0.000 0.790 458 S HN 0.336 nan 8.310 nan 0.000 0.504 459 L N 4.522 125.742 121.223 -0.005 0.000 2.499 459 L HA 0.225 4.564 4.340 -0.001 0.000 0.273 459 L C -2.184 174.679 176.870 -0.013 0.000 1.195 459 L CA -1.761 53.080 54.840 0.002 0.000 0.882 459 L CB -0.091 41.978 42.059 0.016 0.000 1.133 459 L HN -0.009 nan 8.230 nan 0.000 0.483 460 P HA 0.048 nan 4.420 nan 0.000 0.280 460 P C -0.845 176.432 177.300 -0.037 0.000 1.300 460 P CA -0.109 62.978 63.100 -0.022 0.000 0.785 460 P CB 1.115 32.814 31.700 -0.002 0.000 0.874 461 V N 6.817 126.661 119.914 -0.117 0.000 2.293 461 V HA 0.292 4.411 4.120 -0.001 0.000 0.275 461 V C -1.977 173.918 176.094 -0.333 0.000 1.021 461 V CA -2.480 59.659 62.300 -0.269 0.000 0.815 461 V CB 1.269 32.823 31.823 -0.449 0.000 1.025 461 V HN 0.381 nan 8.190 nan 0.000 0.448 462 P HA 0.276 nan 4.420 nan 0.000 0.225 462 P C -0.815 176.564 177.300 0.131 0.000 1.768 462 P CA 0.192 63.294 63.100 0.003 0.000 0.943 462 P CB -0.850 30.911 31.700 0.102 0.000 1.936 463 F N 0.000 119.945 119.950 -0.009 0.000 2.286 463 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 463 F CA 0.000 57.967 58.000 -0.055 0.000 1.383 463 F CB 0.000 38.947 39.000 -0.088 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574