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 1ju2_1_A DATA FIRST_RESID 1 DATA SEQUENCE LATTSDHDFS YLSFAYDATD LELEGSYDYV IVGGGTSGCP LAATLSEKYK DATA SEQUENCE VLVLERGSLP TAYPNVLTAD GFVYNLQQED DGKTPVERFV SEDGIDNVRG DATA SEQUENCE RVLGGTSIIN AGVYARANTS IYSASGVDWD MDLVNQTYEW VEDTIVYKPN DATA SEQUENCE SQSWQSVTKT AFLEAGVHPN HGFSLDHEEG TRITGSTFDN KGTRHAADEL DATA SEQUENCE LNKGNSNNLR VGVHASVEKI IFSNAPGLTA TGVIYRDSNG TPHQAFVRSK DATA SEQUENCE GEVIVSAGTI GTPQLLLLSG VGPESYLSSL NIPVVLSHPY VGQFLHDNPR DATA SEQUENCE NFINILPPNP IEPTIVTVLG ISNDFYQCSF SSLPFTTPPF GFFPSSSYPL DATA SEQUENCE PNSTFAHFAS KVAGPLSYGS LTLKSSSNVR VSPNVKFNYY SNLTDLSHcV DATA SEQUENCE SGMKKIGELL STDALKPYKV EDLPGVEGFN ILGIPLPKDQ TDDAAFETFc DATA SEQUENCE RESVASYWHY HGGCLVGKVL DGDFRVTGIN ALRVVDGSTF PYTPASHPQG DATA SEQUENCE FYLMLGRYVG IKILQERSAS D 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.706 176.870 -0.273 0.000 1.165 1 L CA 0.000 54.713 54.840 -0.211 0.000 0.813 1 L CB 0.000 41.990 42.059 -0.114 0.000 0.961 2 A N 0.551 123.077 122.820 -0.489 0.000 2.252 2 A HA 0.905 5.225 4.320 0.000 0.000 0.305 2 A C -0.312 177.138 177.584 -0.223 0.000 1.097 2 A CA -0.335 51.424 52.037 -0.464 0.000 0.849 2 A CB 1.156 19.694 19.000 -0.770 0.000 1.142 2 A HN 0.581 nan 8.150 nan 0.000 0.499 3 T N 1.303 115.840 114.554 -0.029 0.000 2.797 3 T HA 0.436 4.786 4.350 0.000 0.000 0.279 3 T C 0.062 174.881 174.700 0.199 0.000 0.991 3 T CA -0.082 62.075 62.100 0.095 0.000 0.979 3 T CB 0.945 69.823 68.868 0.017 0.000 0.943 3 T HN 0.662 nan 8.240 nan 0.000 0.444 4 T N 4.015 118.660 114.554 0.152 0.000 2.867 4 T HA 0.262 4.613 4.350 0.000 0.000 0.290 4 T C 0.466 175.181 174.700 0.026 0.000 1.025 4 T CA 0.318 62.413 62.100 -0.009 0.000 1.146 4 T CB -0.233 68.608 68.868 -0.044 0.000 1.024 4 T HN 0.859 nan 8.240 nan 0.000 0.519 5 S N 2.039 117.771 115.700 0.053 0.000 2.636 5 S HA 0.425 4.895 4.470 0.000 0.000 0.268 5 S C -1.675 173.029 174.600 0.172 0.000 1.159 5 S CA -1.290 56.964 58.200 0.090 0.000 0.815 5 S CB 1.281 64.522 63.200 0.067 0.000 1.130 5 S HN 0.477 nan 8.310 nan 0.000 0.471 6 D N 0.973 121.439 120.400 0.111 0.000 2.357 6 D HA 0.206 4.846 4.640 0.000 0.000 0.242 6 D C 0.073 176.432 176.300 0.098 0.000 1.153 6 D CA 0.335 54.388 54.000 0.089 0.000 0.918 6 D CB 0.066 40.907 40.800 0.070 0.000 1.181 6 D HN 0.725 nan 8.370 nan 0.000 0.435 7 H N 0.693 119.680 119.070 -0.137 0.000 3.004 7 H HA -0.037 4.519 4.556 0.000 0.000 0.316 7 H C -0.302 174.827 175.328 -0.332 0.000 1.014 7 H CA 0.211 56.061 56.048 -0.330 0.000 1.454 7 H CB 0.428 29.895 29.762 -0.492 0.000 1.472 7 H HN 0.050 nan 8.280 nan 0.000 0.571 8 D N 4.891 125.028 120.400 -0.438 0.000 2.352 8 D HA -0.015 4.625 4.640 0.000 0.000 0.245 8 D C -0.471 175.631 176.300 -0.330 0.000 1.224 8 D CA 0.020 53.865 54.000 -0.259 0.000 0.879 8 D CB -0.239 40.472 40.800 -0.148 0.000 1.057 8 D HN 0.542 nan 8.370 nan 0.000 0.491 9 F N 1.801 121.689 119.950 -0.104 0.000 2.750 9 F HA 0.100 4.627 4.527 0.000 0.000 0.297 9 F C 2.139 177.631 175.800 -0.512 0.000 1.138 9 F CA -0.404 57.347 58.000 -0.415 0.000 1.346 9 F CB 0.435 39.242 39.000 -0.321 0.000 0.965 9 F HN 0.245 nan 8.300 nan 0.000 0.514 10 S N -0.278 115.332 115.700 -0.150 0.000 2.399 10 S HA -0.254 4.216 4.470 0.000 0.000 0.231 10 S C 1.857 176.316 174.600 -0.235 0.000 1.022 10 S CA 1.377 59.505 58.200 -0.121 0.000 0.983 10 S CB -0.499 62.692 63.200 -0.014 0.000 0.803 10 S HN 0.720 nan 8.310 nan 0.000 0.480 11 Y N 1.117 121.272 120.300 -0.242 0.000 2.569 11 Y HA 0.126 4.676 4.550 0.000 0.000 0.293 11 Y C 1.477 176.835 175.900 -0.903 0.000 1.144 11 Y CA 0.186 57.812 58.100 -0.792 0.000 1.321 11 Y CB -1.011 37.155 38.460 -0.489 0.000 0.982 11 Y HN 0.116 nan 8.280 nan 0.000 0.558 12 L N 0.859 121.644 121.223 -0.729 0.000 2.261 12 L HA -0.214 4.126 4.340 0.000 0.000 0.216 12 L C 2.645 179.276 176.870 -0.399 0.000 1.114 12 L CA 1.515 56.061 54.840 -0.490 0.000 0.777 12 L CB -0.748 41.057 42.059 -0.423 0.000 0.910 12 L HN 0.560 nan 8.230 nan 0.000 0.440 13 S N 0.696 116.171 115.700 -0.376 0.000 2.419 13 S HA -0.179 4.292 4.470 0.000 0.000 0.233 13 S C 1.225 175.751 174.600 -0.124 0.000 1.016 13 S CA 0.875 58.958 58.200 -0.195 0.000 0.974 13 S CB -0.495 62.678 63.200 -0.045 0.000 0.786 13 S HN 0.560 nan 8.310 nan 0.000 0.492 14 F N 0.351 120.284 119.950 -0.028 0.000 2.805 14 F HA 0.841 5.369 4.527 0.000 0.000 0.317 14 F C 0.098 175.903 175.800 0.009 0.000 1.146 14 F CA -1.661 56.367 58.000 0.046 0.000 1.265 14 F CB -0.271 38.854 39.000 0.207 0.000 0.992 14 F HN 0.252 nan 8.300 nan 0.000 0.511 15 A N 0.811 123.488 122.820 -0.237 0.000 2.288 15 A HA 0.752 5.072 4.320 0.000 0.000 0.320 15 A C -1.590 175.786 177.584 -0.346 0.000 1.217 15 A CA -0.394 51.595 52.037 -0.079 0.000 0.840 15 A CB 0.442 19.429 19.000 -0.021 0.000 1.179 15 A HN 0.385 nan 8.150 nan 0.000 0.504 16 Y N 0.346 120.692 120.300 0.077 0.000 2.545 16 Y HA 0.390 4.941 4.550 0.000 0.000 0.348 16 Y C 0.135 176.054 175.900 0.032 0.000 1.002 16 Y CA -1.089 57.048 58.100 0.062 0.000 1.039 16 Y CB 1.476 39.993 38.460 0.095 0.000 1.271 16 Y HN 0.701 nan 8.280 nan 0.000 0.467 17 D N 0.889 121.408 120.400 0.198 0.000 2.302 17 D HA 0.229 4.869 4.640 0.000 0.000 0.248 17 D C 0.900 177.304 176.300 0.173 0.000 1.094 17 D CA 0.366 54.453 54.000 0.146 0.000 0.897 17 D CB 2.015 42.917 40.800 0.169 0.000 1.200 17 D HN 0.802 nan 8.370 nan 0.000 0.429 18 A N 3.025 125.924 122.820 0.132 0.000 1.997 18 A HA -0.247 4.074 4.320 0.000 0.000 0.221 18 A C 2.067 179.721 177.584 0.116 0.000 1.172 18 A CA 2.629 54.721 52.037 0.091 0.000 0.645 18 A CB -1.040 17.997 19.000 0.062 0.000 0.813 18 A HN 0.784 nan 8.150 nan 0.000 0.454 19 T N -2.643 112.012 114.554 0.169 0.000 2.881 19 T HA -0.129 4.221 4.350 0.000 0.000 0.270 19 T C 1.044 175.889 174.700 0.241 0.000 1.068 19 T CA 1.531 63.763 62.100 0.221 0.000 1.131 19 T CB -0.322 68.646 68.868 0.166 0.000 0.871 19 T HN 0.454 nan 8.240 nan 0.000 0.479 20 D N 0.593 121.125 120.400 0.219 0.000 2.350 20 D HA 0.277 4.917 4.640 0.000 0.000 0.213 20 D C 0.591 177.001 176.300 0.183 0.000 1.031 20 D CA -0.001 54.120 54.000 0.203 0.000 0.861 20 D CB 0.178 41.116 40.800 0.231 0.000 0.926 20 D HN 0.430 nan 8.370 nan 0.000 0.520 21 L N 2.175 123.535 121.223 0.228 0.000 2.418 21 L HA 0.086 4.427 4.340 0.000 0.000 0.265 21 L C 1.097 178.142 176.870 0.292 0.000 1.143 21 L CA -0.821 54.147 54.840 0.213 0.000 0.809 21 L CB 0.714 42.932 42.059 0.265 0.000 1.124 21 L HN -0.026 nan 8.230 nan 0.000 0.456 22 E N 2.888 123.215 120.200 0.211 0.000 2.415 22 E HA -0.041 4.309 4.350 0.000 0.000 0.262 22 E C 0.623 177.330 176.600 0.178 0.000 1.038 22 E CA -0.045 56.447 56.400 0.153 0.000 0.921 22 E CB 0.764 30.528 29.700 0.108 0.000 0.950 22 E HN 0.556 nan 8.360 nan 0.000 0.438 23 L N 0.246 121.458 121.223 -0.018 0.000 2.141 23 L HA -0.060 4.280 4.340 0.000 0.000 0.209 23 L C 1.365 178.228 176.870 -0.013 0.000 1.094 23 L CA 1.315 56.037 54.840 -0.196 0.000 0.763 23 L CB -0.229 41.696 42.059 -0.224 0.000 0.908 23 L HN 0.675 nan 8.230 nan 0.000 0.437 24 E N -0.046 120.203 120.200 0.082 0.000 2.283 24 E HA 0.438 4.788 4.350 0.000 0.000 0.258 24 E C -0.728 175.992 176.600 0.199 0.000 0.893 24 E CA -0.377 56.132 56.400 0.181 0.000 0.798 24 E CB 1.461 31.253 29.700 0.154 0.000 1.242 24 E HN 0.063 nan 8.360 nan 0.000 0.414 25 G N 1.437 110.415 108.800 0.297 0.000 2.473 25 G HA2 0.505 4.465 3.960 0.000 0.000 0.321 25 G HA3 0.505 4.465 3.960 0.000 0.000 0.321 25 G C -1.210 173.819 174.900 0.214 0.000 1.200 25 G CA -0.626 44.607 45.100 0.221 0.000 0.963 25 G HN 0.324 nan 8.290 nan 0.000 0.483 26 S N -0.345 115.264 115.700 -0.151 0.000 2.561 26 S HA 0.802 5.272 4.470 0.000 0.000 0.303 26 S C -1.465 172.878 174.600 -0.430 0.000 1.110 26 S CA -0.603 57.542 58.200 -0.092 0.000 1.034 26 S CB 0.515 63.666 63.200 -0.082 0.000 1.010 26 S HN 0.440 nan 8.310 nan 0.000 0.482 27 Y N 1.280 121.614 120.300 0.055 0.000 2.677 27 Y HA 0.433 4.983 4.550 0.000 0.000 0.334 27 Y C 0.940 176.820 175.900 -0.033 0.000 1.154 27 Y CA -1.000 57.118 58.100 0.030 0.000 1.070 27 Y CB 0.886 39.371 38.460 0.042 0.000 1.294 27 Y HN 0.490 nan 8.280 nan 0.000 0.475 28 D N -0.311 120.169 120.400 0.132 0.000 2.162 28 D HA -0.023 4.617 4.640 0.000 0.000 0.205 28 D C -0.692 175.301 176.300 -0.512 0.000 0.964 28 D CA 1.730 55.625 54.000 -0.175 0.000 0.847 28 D CB 0.283 41.060 40.800 -0.038 0.000 0.988 28 D HN 0.345 nan 8.370 nan 0.000 0.480 29 Y N -0.512 119.827 120.300 0.066 0.000 2.492 29 Y HA 0.416 4.966 4.550 0.000 0.000 0.346 29 Y C -0.409 175.473 175.900 -0.031 0.000 0.997 29 Y CA -0.942 57.159 58.100 0.001 0.000 1.025 29 Y CB 2.375 40.819 38.460 -0.026 0.000 1.263 29 Y HN -0.416 nan 8.280 nan 0.000 0.454 30 V N 5.067 125.024 119.914 0.071 0.000 2.444 30 V HA 0.454 4.575 4.120 0.000 0.000 0.294 30 V C -0.441 175.634 176.094 -0.032 0.000 1.022 30 V CA -0.756 61.514 62.300 -0.050 0.000 0.850 30 V CB 1.488 33.265 31.823 -0.077 0.000 0.992 30 V HN 0.597 nan 8.190 nan 0.000 0.426 31 I N 5.067 125.598 120.570 -0.066 0.000 2.362 31 I HA 0.400 4.570 4.170 0.000 0.000 0.289 31 I C -0.363 175.707 176.117 -0.078 0.000 0.994 31 I CA -0.808 60.460 61.300 -0.054 0.000 1.158 31 I CB 2.008 39.979 38.000 -0.048 0.000 1.315 31 I HN 0.267 nan 8.210 nan 0.000 0.451 32 V N 5.740 125.618 119.914 -0.060 0.000 2.368 32 V HA 0.640 4.760 4.120 0.000 0.000 0.266 32 V C 0.551 176.620 176.094 -0.042 0.000 1.045 32 V CA -0.266 61.998 62.300 -0.061 0.000 0.899 32 V CB 0.532 32.329 31.823 -0.045 0.000 1.006 32 V HN 1.068 nan 8.190 nan 0.000 0.470 33 G N 3.669 112.443 108.800 -0.044 0.000 3.380 33 G HA2 0.065 4.025 3.960 0.000 0.000 0.685 33 G HA3 0.065 4.025 3.960 0.000 0.000 0.685 33 G C 0.102 174.989 174.900 -0.020 0.000 1.136 33 G CA -0.549 44.538 45.100 -0.021 0.000 1.011 33 G HN 1.283 nan 8.290 nan 0.000 0.471 34 G N 1.088 109.878 108.800 -0.016 0.000 3.636 34 G HA2 0.673 4.633 3.960 0.000 0.000 0.260 34 G HA3 0.673 4.633 3.960 0.000 0.000 0.260 34 G C 0.851 175.754 174.900 0.006 0.000 1.014 34 G CA 0.822 45.914 45.100 -0.014 0.000 1.797 34 G HN 1.216 nan 8.290 nan 0.000 0.637 35 G N 0.150 108.959 108.800 0.016 0.000 2.782 35 G HA2 0.379 4.339 3.960 0.000 0.000 0.201 35 G HA3 0.379 4.339 3.960 0.000 0.000 0.201 35 G C 1.190 176.119 174.900 0.049 0.000 1.374 35 G CA 0.390 45.513 45.100 0.039 0.000 1.039 35 G HN 0.148 nan 8.290 nan 0.000 0.576 36 T N 0.610 115.208 114.554 0.073 0.000 2.652 36 T HA -0.132 4.218 4.350 0.000 0.000 0.267 36 T C 2.679 177.434 174.700 0.091 0.000 1.039 36 T CA 2.131 64.293 62.100 0.103 0.000 1.153 36 T CB -0.327 68.633 68.868 0.154 0.000 0.863 36 T HN 0.261 nan 8.240 nan 0.000 0.428 37 S N 0.448 116.182 115.700 0.056 0.000 2.421 37 S HA 0.141 4.611 4.470 0.000 0.000 0.224 37 S C 2.462 177.059 174.600 -0.005 0.000 1.035 37 S CA 0.656 58.868 58.200 0.020 0.000 0.953 37 S CB -0.603 62.581 63.200 -0.027 0.000 0.810 37 S HN 0.607 nan 8.310 nan 0.000 0.497 38 G N 0.863 109.660 108.800 -0.006 0.000 2.440 38 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 38 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 38 G C 1.575 176.470 174.900 -0.008 0.000 1.154 38 G CA 1.260 46.349 45.100 -0.018 0.000 0.767 38 G HN 0.544 nan 8.290 nan 0.000 0.552 39 C N 1.386 120.692 119.300 0.011 0.000 2.436 39 C HA 0.002 4.462 4.460 0.000 0.000 0.277 39 C C 0.844 175.872 174.990 0.063 0.000 1.241 39 C CA 1.495 60.524 59.018 0.019 0.000 1.721 39 C CB -0.830 26.913 27.740 0.005 0.000 2.043 39 C HN 0.410 nan 8.230 nan 0.000 0.472 40 P HA -0.092 nan 4.420 nan 0.000 0.218 40 P C 1.623 178.935 177.300 0.020 0.000 1.149 40 P CA 1.242 64.448 63.100 0.177 0.000 0.817 40 P CB -0.232 31.602 31.700 0.222 0.000 0.785 41 L N 0.455 121.656 121.223 -0.035 0.000 2.027 41 L HA -0.040 4.301 4.340 0.000 0.000 0.206 41 L C 2.513 179.326 176.870 -0.094 0.000 1.074 41 L CA 2.178 56.957 54.840 -0.103 0.000 0.745 41 L CB -1.621 40.374 42.059 -0.107 0.000 0.898 41 L HN -0.092 nan 8.230 nan 0.000 0.433 42 A N -0.251 122.540 122.820 -0.049 0.000 1.877 42 A HA -0.113 4.208 4.320 0.000 0.000 0.216 42 A C 2.473 180.046 177.584 -0.018 0.000 1.186 42 A CA 2.040 54.053 52.037 -0.039 0.000 0.620 42 A CB -1.316 17.672 19.000 -0.019 0.000 0.822 42 A HN 0.619 nan 8.150 nan 0.000 0.443 43 A N -1.043 121.799 122.820 0.037 0.000 1.908 43 A HA -0.109 4.211 4.320 0.000 0.000 0.218 43 A C 2.324 179.942 177.584 0.057 0.000 1.181 43 A CA 2.403 54.495 52.037 0.091 0.000 0.627 43 A CB -1.338 17.801 19.000 0.231 0.000 0.818 43 A HN 0.442 nan 8.150 nan 0.000 0.445 44 T N 0.502 115.048 114.554 -0.014 0.000 2.708 44 T HA -0.093 4.258 4.350 0.000 0.000 0.266 44 T C 1.808 176.445 174.700 -0.105 0.000 1.037 44 T CA 1.532 63.563 62.100 -0.115 0.000 1.146 44 T CB -0.403 68.306 68.868 -0.264 0.000 0.865 44 T HN 0.367 nan 8.240 nan 0.000 0.435 45 L N 1.652 122.796 121.223 -0.131 0.000 2.131 45 L HA -0.083 4.257 4.340 0.000 0.000 0.210 45 L C 2.797 179.666 176.870 -0.001 0.000 1.092 45 L CA 1.307 56.065 54.840 -0.137 0.000 0.759 45 L CB -0.719 41.147 42.059 -0.322 0.000 0.903 45 L HN 0.376 nan 8.230 nan 0.000 0.435 46 S N -0.887 114.809 115.700 -0.006 0.000 2.507 46 S HA -0.165 4.305 4.470 0.000 0.000 0.235 46 S C 1.543 176.136 174.600 -0.012 0.000 0.988 46 S CA 0.787 58.992 58.200 0.007 0.000 0.944 46 S CB -0.323 62.850 63.200 -0.044 0.000 0.762 46 S HN 0.476 nan 8.310 nan 0.000 0.526 47 E N 1.089 121.278 120.200 -0.018 0.000 2.204 47 E HA -0.067 4.283 4.350 0.000 0.000 0.195 47 E C 1.727 178.277 176.600 -0.083 0.000 0.990 47 E CA 1.036 57.417 56.400 -0.032 0.000 0.821 47 E CB 0.031 29.715 29.700 -0.028 0.000 0.750 47 E HN 0.655 nan 8.360 nan 0.000 0.477 48 K N -1.769 118.553 120.400 -0.131 0.000 2.538 48 K HA 0.155 4.476 4.320 0.000 0.000 0.215 48 K C -0.333 175.938 176.600 -0.548 0.000 1.345 48 K CA -0.020 56.053 56.287 -0.356 0.000 0.985 48 K CB 1.004 33.208 32.500 -0.492 0.000 1.116 48 K HN -0.047 nan 8.250 nan 0.000 0.582 49 Y N 0.965 121.305 120.300 0.066 0.000 2.633 49 Y HA 0.342 4.892 4.550 0.000 0.000 0.339 49 Y C -0.132 175.843 175.900 0.126 0.000 1.045 49 Y CA -1.400 56.777 58.100 0.128 0.000 1.098 49 Y CB 0.977 39.604 38.460 0.279 0.000 1.296 49 Y HN -0.420 nan 8.280 nan 0.000 0.494 50 K N 1.937 122.543 120.400 0.343 0.000 2.316 50 K HA 0.420 4.740 4.320 0.000 0.000 0.289 50 K C -1.080 175.724 176.600 0.339 0.000 1.070 50 K CA -0.188 56.263 56.287 0.273 0.000 0.928 50 K CB 0.840 33.474 32.500 0.224 0.000 1.039 50 K HN 0.377 nan 8.250 nan 0.000 0.480 51 V N 4.060 124.118 119.914 0.240 0.000 2.680 51 V HA 0.430 4.550 4.120 0.000 0.000 0.309 51 V C -0.716 175.348 176.094 -0.051 0.000 1.052 51 V CA -1.155 61.226 62.300 0.135 0.000 0.908 51 V CB 1.980 33.850 31.823 0.078 0.000 1.001 51 V HN 0.541 nan 8.190 nan 0.000 0.431 52 L N 5.257 126.315 121.223 -0.274 0.000 2.381 52 L HA 0.764 5.105 4.340 0.000 0.000 0.274 52 L C -0.789 175.915 176.870 -0.278 0.000 0.988 52 L CA -0.093 54.453 54.840 -0.490 0.000 0.824 52 L CB 1.913 43.246 42.059 -1.210 0.000 1.263 52 L HN 0.442 nan 8.230 nan 0.000 0.410 53 V N 6.337 126.144 119.914 -0.180 0.000 2.435 53 V HA 0.496 4.616 4.120 0.000 0.000 0.290 53 V C -0.218 175.775 176.094 -0.169 0.000 1.030 53 V CA -0.493 61.730 62.300 -0.129 0.000 0.881 53 V CB 1.651 33.443 31.823 -0.053 0.000 0.983 53 V HN 0.609 nan 8.190 nan 0.000 0.445 54 L N 4.257 125.366 121.223 -0.191 0.000 2.316 54 L HA 0.617 4.957 4.340 0.000 0.000 0.280 54 L C -0.478 176.311 176.870 -0.135 0.000 1.006 54 L CA -0.395 54.300 54.840 -0.242 0.000 0.836 54 L CB 1.755 43.589 42.059 -0.375 0.000 1.221 54 L HN 0.629 nan 8.230 nan 0.000 0.418 55 E N 2.683 122.826 120.200 -0.095 0.000 2.187 55 E HA 0.300 4.650 4.350 0.000 0.000 0.268 55 E C 0.728 177.324 176.600 -0.006 0.000 0.896 55 E CA -0.721 55.657 56.400 -0.037 0.000 0.766 55 E CB 1.297 30.986 29.700 -0.019 0.000 1.142 55 E HN 0.513 nan 8.360 nan 0.000 0.408 56 R N 2.709 123.223 120.500 0.023 0.000 2.148 56 R HA 0.150 4.491 4.340 0.000 0.000 0.223 56 R C 0.953 177.328 176.300 0.125 0.000 1.088 56 R CA 0.859 56.999 56.100 0.065 0.000 0.985 56 R CB -0.224 30.107 30.300 0.053 0.000 0.880 56 R HN 0.343 nan 8.270 nan 0.000 0.451 57 G N 0.485 109.348 108.800 0.104 0.000 2.563 57 G HA2 0.333 4.294 3.960 0.000 0.000 0.283 57 G HA3 0.333 4.294 3.960 0.000 0.000 0.283 57 G C -0.784 174.205 174.900 0.149 0.000 1.309 57 G CA -0.716 44.474 45.100 0.150 0.000 1.022 57 G HN 0.211 nan 8.290 nan 0.000 0.501 58 S N -1.483 114.339 115.700 0.204 0.000 2.686 58 S HA 0.434 4.904 4.470 0.000 0.000 0.270 58 S C 0.364 174.997 174.600 0.056 0.000 1.194 58 S CA -0.547 57.707 58.200 0.091 0.000 0.990 58 S CB 0.818 64.273 63.200 0.425 0.000 1.029 58 S HN 0.385 nan 8.310 nan 0.000 0.560 59 L N 1.743 122.968 121.223 0.003 0.000 2.436 59 L HA 0.209 4.550 4.340 0.000 0.000 0.265 59 L C -1.588 175.358 176.870 0.126 0.000 1.168 59 L CA -1.607 53.272 54.840 0.064 0.000 0.815 59 L CB 0.165 42.212 42.059 -0.021 0.000 1.109 59 L HN 0.441 nan 8.230 nan 0.000 0.462 60 P HA -0.143 nan 4.420 nan 0.000 0.219 60 P C 1.430 178.778 177.300 0.079 0.000 1.146 60 P CA 1.169 64.391 63.100 0.204 0.000 0.808 60 P CB 0.004 31.892 31.700 0.313 0.000 0.779 61 T N -3.013 111.462 114.554 -0.130 0.000 2.929 61 T HA -0.094 4.256 4.350 0.000 0.000 0.271 61 T C 1.816 176.409 174.700 -0.179 0.000 1.085 61 T CA 1.134 63.065 62.100 -0.281 0.000 1.125 61 T CB -1.035 67.526 68.868 -0.511 0.000 0.874 61 T HN 0.019 nan 8.240 nan 0.000 0.494 62 A N 0.175 122.917 122.820 -0.130 0.000 2.119 62 A HA 0.224 4.544 4.320 0.000 0.000 0.217 62 A C 0.441 177.678 177.584 -0.577 0.000 1.153 62 A CA 0.292 52.152 52.037 -0.296 0.000 0.692 62 A CB -0.466 18.399 19.000 -0.226 0.000 0.799 62 A HN 0.683 nan 8.150 nan 0.000 0.458 63 Y N -1.632 118.672 120.300 0.006 0.000 2.592 63 Y HA 0.318 4.869 4.550 0.000 0.000 0.354 63 Y C -2.062 173.846 175.900 0.014 0.000 1.063 63 Y CA -2.039 56.079 58.100 0.031 0.000 1.205 63 Y CB 0.939 39.436 38.460 0.062 0.000 1.106 63 Y HN 0.112 nan 8.280 nan 0.000 0.649 64 P HA -0.238 nan 4.420 nan 0.000 0.218 64 P C 1.008 178.319 177.300 0.018 0.000 1.150 64 P CA 1.624 64.727 63.100 0.006 0.000 0.841 64 P CB 0.355 32.026 31.700 -0.049 0.000 0.784 65 N N -0.837 117.876 118.700 0.022 0.000 2.571 65 N HA -0.059 4.682 4.740 0.000 0.000 0.189 65 N C 1.284 176.856 175.510 0.104 0.000 1.154 65 N CA 0.781 53.828 53.050 -0.004 0.000 0.907 65 N CB -0.268 38.125 38.487 -0.156 0.000 0.977 65 N HN 0.207 nan 8.380 nan 0.000 0.449 66 V N -2.283 117.711 119.914 0.133 0.000 3.623 66 V HA 0.158 4.278 4.120 0.000 0.000 0.271 66 V C 1.394 177.564 176.094 0.126 0.000 1.248 66 V CA 0.606 62.996 62.300 0.150 0.000 1.156 66 V CB -0.593 31.314 31.823 0.140 0.000 0.870 66 V HN 0.078 nan 8.190 nan 0.000 0.453 67 L N 1.736 123.007 121.223 0.079 0.000 2.628 67 L HA 0.336 4.677 4.340 0.000 0.000 0.229 67 L C 0.869 177.786 176.870 0.078 0.000 1.137 67 L CA 0.669 55.528 54.840 0.031 0.000 0.909 67 L CB -0.081 41.969 42.059 -0.016 0.000 1.137 67 L HN 0.639 nan 8.230 nan 0.000 0.470 68 T N -5.641 108.982 114.554 0.115 0.000 2.896 68 T HA 0.592 4.943 4.350 0.000 0.000 0.297 68 T C 0.718 175.432 174.700 0.022 0.000 1.108 68 T CA -0.138 62.002 62.100 0.066 0.000 1.004 68 T CB 2.435 71.298 68.868 -0.007 0.000 1.159 68 T HN -0.097 nan 8.240 nan 0.000 0.499 69 A N 1.248 123.899 122.820 -0.283 0.000 1.969 69 A HA -0.005 4.315 4.320 0.000 0.000 0.218 69 A C 1.825 179.272 177.584 -0.230 0.000 1.169 69 A CA 1.848 53.440 52.037 -0.742 0.000 0.635 69 A CB -1.109 17.273 19.000 -1.030 0.000 0.810 69 A HN 0.998 nan 8.150 nan 0.000 0.445 70 D N -0.631 119.698 120.400 -0.120 0.000 2.350 70 D HA 0.032 4.672 4.640 0.000 0.000 0.216 70 D C 1.370 177.690 176.300 0.032 0.000 0.968 70 D CA 1.167 55.148 54.000 -0.032 0.000 0.894 70 D CB -0.710 40.064 40.800 -0.044 0.000 0.909 70 D HN 0.294 nan 8.370 nan 0.000 0.520 71 G N -1.250 107.583 108.800 0.056 0.000 3.088 71 G HA2 -0.013 3.947 3.960 0.000 0.000 0.217 71 G HA3 -0.013 3.947 3.960 0.000 0.000 0.217 71 G C 0.881 175.903 174.900 0.202 0.000 1.159 71 G CA -0.182 44.982 45.100 0.105 0.000 0.760 71 G HN 0.207 nan 8.290 nan 0.000 0.550 72 F N 1.810 121.801 119.950 0.069 0.000 2.043 72 F HA -0.200 4.327 4.527 0.000 0.000 0.297 72 F C 2.463 178.269 175.800 0.009 0.000 1.121 72 F CA 1.879 59.922 58.000 0.071 0.000 1.199 72 F CB -0.496 38.551 39.000 0.077 0.000 0.968 72 F HN 0.008 nan 8.300 nan 0.000 0.478 73 V N -0.350 119.435 119.914 -0.214 0.000 2.407 73 V HA -0.310 3.810 4.120 0.000 0.000 0.248 73 V C 2.132 178.049 176.094 -0.293 0.000 1.055 73 V CA 2.043 64.094 62.300 -0.415 0.000 1.049 73 V CB -1.240 30.469 31.823 -0.191 0.000 0.662 73 V HN 0.591 nan 8.190 nan 0.000 0.455 74 Y N 2.222 122.404 120.300 -0.197 0.000 2.114 74 Y HA -0.310 4.240 4.550 0.000 0.000 0.282 74 Y C 2.550 178.355 175.900 -0.158 0.000 1.165 74 Y CA 2.283 60.298 58.100 -0.142 0.000 1.148 74 Y CB -0.347 38.077 38.460 -0.059 0.000 0.972 74 Y HN 0.336 nan 8.280 nan 0.000 0.504 75 N N 0.416 119.100 118.700 -0.028 0.000 2.166 75 N HA -0.182 4.558 4.740 0.000 0.000 0.186 75 N C 1.850 177.200 175.510 -0.267 0.000 1.019 75 N CA 1.782 54.764 53.050 -0.112 0.000 0.856 75 N CB -0.539 37.933 38.487 -0.026 0.000 0.993 75 N HN 0.446 nan 8.380 nan 0.000 0.426 76 L N 0.890 121.898 121.223 -0.358 0.000 2.217 76 L HA -0.071 4.269 4.340 0.000 0.000 0.211 76 L C 2.119 178.815 176.870 -0.290 0.000 1.107 76 L CA 0.781 55.410 54.840 -0.352 0.000 0.783 76 L CB -0.261 41.495 42.059 -0.504 0.000 0.919 76 L HN 0.131 nan 8.230 nan 0.000 0.442 77 Q N -0.417 119.163 119.800 -0.366 0.000 2.269 77 Q HA -0.082 4.258 4.340 0.000 0.000 0.201 77 Q C 0.949 176.761 176.000 -0.313 0.000 0.946 77 Q CA 0.170 55.771 55.803 -0.337 0.000 0.877 77 Q CB 0.189 28.691 28.738 -0.392 0.000 0.963 77 Q HN 0.430 nan 8.270 nan 0.000 0.472 78 Q N 1.659 121.224 119.800 -0.391 0.000 2.330 78 Q HA -0.053 4.287 4.340 0.000 0.000 0.279 78 Q C -0.585 175.288 176.000 -0.211 0.000 1.024 78 Q CA -0.117 55.491 55.803 -0.326 0.000 0.900 78 Q CB 0.663 29.198 28.738 -0.339 0.000 1.221 78 Q HN 0.013 nan 8.270 nan 0.000 0.396 79 E N 2.753 122.858 120.200 -0.159 0.000 2.414 79 E HA -0.065 4.285 4.350 0.000 0.000 0.263 79 E C -0.798 175.723 176.600 -0.132 0.000 1.000 79 E CA 0.207 56.526 56.400 -0.134 0.000 0.914 79 E CB 0.563 30.209 29.700 -0.089 0.000 0.948 79 E HN 0.545 nan 8.360 nan 0.000 0.444 80 D N 2.468 122.774 120.400 -0.158 0.000 2.374 80 D HA -0.014 4.626 4.640 0.000 0.000 0.240 80 D C 0.086 176.332 176.300 -0.090 0.000 1.229 80 D CA -0.293 53.623 54.000 -0.140 0.000 0.895 80 D CB 0.297 40.987 40.800 -0.183 0.000 1.046 80 D HN 0.257 nan 8.370 nan 0.000 0.498 81 D N 2.264 122.629 120.400 -0.059 0.000 2.368 81 D HA 0.164 4.805 4.640 0.000 0.000 0.218 81 D C 1.423 177.711 176.300 -0.020 0.000 1.112 81 D CA 0.154 54.137 54.000 -0.029 0.000 0.834 81 D CB 0.003 40.801 40.800 -0.003 0.000 0.953 81 D HN 0.526 nan 8.370 nan 0.000 0.505 82 G N 0.629 109.410 108.800 -0.031 0.000 2.199 82 G HA2 -0.308 3.652 3.960 0.000 0.000 0.254 82 G HA3 -0.308 3.652 3.960 0.000 0.000 0.254 82 G C 1.156 176.053 174.900 -0.004 0.000 0.982 82 G CA 0.412 45.501 45.100 -0.017 0.000 0.632 82 G HN 0.349 nan 8.290 nan 0.000 0.529 83 K N 0.452 120.855 120.400 0.005 0.000 2.474 83 K HA 0.170 4.490 4.320 0.000 0.000 0.204 83 K C 1.409 178.007 176.600 -0.003 0.000 1.220 83 K CA 1.018 57.334 56.287 0.047 0.000 0.966 83 K CB 0.094 32.653 32.500 0.098 0.000 1.049 83 K HN 0.683 nan 8.250 nan 0.000 0.554 84 T N 1.306 115.787 114.554 -0.122 0.000 2.855 84 T HA 0.058 4.408 4.350 0.000 0.000 0.314 84 T C -1.515 172.926 174.700 -0.432 0.000 1.077 84 T CA -0.945 60.881 62.100 -0.457 0.000 1.095 84 T CB 0.748 69.442 68.868 -0.290 0.000 0.987 84 T HN -0.091 nan 8.240 nan 0.000 0.546 85 P HA 0.029 nan 4.420 nan 0.000 0.226 85 P C 0.056 177.270 177.300 -0.144 0.000 1.153 85 P CA 0.354 63.279 63.100 -0.291 0.000 0.777 85 P CB 0.084 31.622 31.700 -0.271 0.000 0.794 86 V N 1.562 121.378 119.914 -0.163 0.000 2.311 86 V HA 0.226 4.346 4.120 0.000 0.000 0.275 86 V C 0.316 176.368 176.094 -0.071 0.000 1.022 86 V CA -0.793 61.450 62.300 -0.095 0.000 0.830 86 V CB 1.163 32.907 31.823 -0.131 0.000 1.012 86 V HN 0.012 nan 8.190 nan 0.000 0.452 87 E N 5.785 125.990 120.200 0.008 0.000 2.167 87 E HA 0.393 4.743 4.350 0.000 0.000 0.284 87 E C -0.209 176.452 176.600 0.102 0.000 1.016 87 E CA -0.693 55.728 56.400 0.035 0.000 0.817 87 E CB 0.809 30.556 29.700 0.077 0.000 1.080 87 E HN 0.567 nan 8.360 nan 0.000 0.397 88 R N 3.593 124.081 120.500 -0.020 0.000 2.459 88 R HA 0.433 4.774 4.340 0.000 0.000 0.281 88 R C -0.530 175.871 176.300 0.168 0.000 1.050 88 R CA -0.331 55.724 56.100 -0.077 0.000 1.055 88 R CB 0.658 30.538 30.300 -0.700 0.000 1.045 88 R HN 0.465 nan 8.270 nan 0.000 0.495 89 F N -1.933 118.117 119.950 0.166 0.000 2.693 89 F HA 0.607 5.135 4.527 0.000 0.000 0.309 89 F C -1.682 174.283 175.800 0.276 0.000 1.129 89 F CA -1.259 56.833 58.000 0.154 0.000 0.948 89 F CB 1.135 40.185 39.000 0.084 0.000 1.315 89 F HN 0.102 nan 8.300 nan 0.000 0.447 90 V N 2.275 122.416 119.914 0.379 0.000 2.531 90 V HA 0.560 4.681 4.120 0.000 0.000 0.301 90 V C -0.046 176.230 176.094 0.302 0.000 1.034 90 V CA -0.468 61.985 62.300 0.254 0.000 0.865 90 V CB 1.357 33.313 31.823 0.222 0.000 0.995 90 V HN 1.120 nan 8.190 nan 0.000 0.424 91 S N 2.471 118.346 115.700 0.291 0.000 2.589 91 S HA 0.144 4.615 4.470 0.000 0.000 0.265 91 S C 0.960 175.639 174.600 0.131 0.000 1.342 91 S CA 0.164 58.500 58.200 0.226 0.000 1.005 91 S CB 0.869 64.260 63.200 0.319 0.000 0.909 91 S HN 0.865 nan 8.310 nan 0.000 0.555 92 E N 0.193 120.415 120.200 0.036 0.000 2.409 92 E HA -0.149 4.201 4.350 0.000 0.000 0.198 92 E C 0.473 177.113 176.600 0.067 0.000 1.024 92 E CA 1.172 57.590 56.400 0.030 0.000 0.861 92 E CB -0.325 29.358 29.700 -0.029 0.000 0.788 92 E HN 0.824 nan 8.360 nan 0.000 0.521 93 D N -1.047 119.428 120.400 0.125 0.000 2.317 93 D HA 0.043 4.683 4.640 0.000 0.000 0.211 93 D C 1.120 177.515 176.300 0.158 0.000 0.966 93 D CA 0.903 55.013 54.000 0.184 0.000 0.876 93 D CB 0.341 41.370 40.800 0.381 0.000 0.927 93 D HN 0.300 nan 8.370 nan 0.000 0.519 94 G N 0.062 108.950 108.800 0.146 0.000 2.144 94 G HA2 -0.198 3.763 3.960 0.000 0.000 0.218 94 G HA3 -0.198 3.763 3.960 0.000 0.000 0.218 94 G C -0.088 174.868 174.900 0.093 0.000 0.988 94 G CA -0.546 44.619 45.100 0.108 0.000 0.659 94 G HN 0.184 nan 8.290 nan 0.000 0.522 95 I N 1.853 122.503 120.570 0.132 0.000 2.321 95 I HA 0.324 4.494 4.170 0.000 0.000 0.291 95 I C -0.036 176.102 176.117 0.035 0.000 0.998 95 I CA -1.233 60.104 61.300 0.062 0.000 1.227 95 I CB 0.956 38.987 38.000 0.051 0.000 1.368 95 I HN -0.039 nan 8.210 nan 0.000 0.466 96 D N 5.639 125.984 120.400 -0.092 0.000 2.423 96 D HA 0.201 4.841 4.640 0.000 0.000 0.238 96 D C 0.199 176.371 176.300 -0.214 0.000 1.142 96 D CA 0.596 54.449 54.000 -0.245 0.000 0.884 96 D CB 0.978 41.323 40.800 -0.759 0.000 1.199 96 D HN 0.429 nan 8.370 nan 0.000 0.438 97 N N -0.475 118.070 118.700 -0.259 0.000 3.020 97 N HA 0.544 5.284 4.740 0.000 0.000 0.248 97 N C -1.711 173.598 175.510 -0.334 0.000 1.480 97 N CA -0.528 52.316 53.050 -0.344 0.000 0.874 97 N CB 1.871 39.861 38.487 -0.828 0.000 1.433 97 N HN 0.151 nan 8.380 nan 0.000 0.530 98 V N -1.519 118.334 119.914 -0.103 0.000 3.147 98 V HA 0.866 4.986 4.120 0.000 0.000 0.306 98 V C -1.188 175.187 176.094 0.467 0.000 1.209 98 V CA -0.930 61.461 62.300 0.151 0.000 1.023 98 V CB 2.214 34.056 31.823 0.030 0.000 1.059 98 V HN 0.924 nan 8.190 nan 0.000 0.435 99 R N 1.237 122.007 120.500 0.449 0.000 2.740 99 R HA 0.833 5.173 4.340 0.000 0.000 0.273 99 R C 0.003 176.438 176.300 0.225 0.000 0.998 99 R CA -0.308 56.056 56.100 0.440 0.000 0.900 99 R CB 1.747 32.337 30.300 0.482 0.000 1.223 99 R HN 1.398 nan 8.270 nan 0.000 0.466 100 G N 0.807 109.717 108.800 0.184 0.000 2.527 100 G HA2 0.312 4.272 3.960 0.000 0.000 0.248 100 G HA3 0.312 4.272 3.960 0.000 0.000 0.248 100 G C -0.614 174.336 174.900 0.084 0.000 1.231 100 G CA -0.735 44.430 45.100 0.107 0.000 0.838 100 G HN 0.599 nan 8.290 nan 0.000 0.570 101 R N 0.538 121.065 120.500 0.044 0.000 2.754 101 R HA 0.463 4.803 4.340 0.000 0.000 0.255 101 R C -1.523 174.796 176.300 0.032 0.000 1.723 101 R CA -0.295 55.827 56.100 0.037 0.000 1.596 101 R CB 1.017 31.328 30.300 0.018 0.000 1.424 101 R HN 0.586 nan 8.270 nan 0.000 0.662 102 V N 2.455 122.401 119.914 0.054 0.000 3.234 102 V HA 0.312 4.432 4.120 0.000 0.000 0.280 102 V C -1.703 174.436 176.094 0.075 0.000 1.580 102 V CA -1.056 61.288 62.300 0.073 0.000 1.032 102 V CB 1.994 33.860 31.823 0.071 0.000 1.203 102 V HN 0.456 nan 8.190 nan 0.000 0.459 103 L N 5.328 126.601 121.223 0.083 0.000 2.462 103 L HA 0.664 5.005 4.340 0.000 0.000 0.272 103 L C 1.191 178.111 176.870 0.085 0.000 1.166 103 L CA 2.277 57.158 54.840 0.067 0.000 0.880 103 L CB 0.640 42.747 42.059 0.079 0.000 1.142 103 L HN 1.537 nan 8.230 nan 0.000 0.473 104 G N 2.074 110.906 108.800 0.053 0.000 2.238 104 G HA2 0.034 3.995 3.960 0.000 0.000 0.217 104 G HA3 0.034 3.995 3.960 0.000 0.000 0.217 104 G C 1.043 175.989 174.900 0.077 0.000 0.996 104 G CA 0.156 45.297 45.100 0.068 0.000 0.632 104 G HN 1.829 nan 8.290 nan 0.000 0.503 105 G N -0.717 108.126 108.800 0.073 0.000 2.552 105 G HA2 -0.095 3.865 3.960 0.000 0.000 0.265 105 G HA3 -0.095 3.865 3.960 0.000 0.000 0.265 105 G C 0.947 175.904 174.900 0.095 0.000 1.234 105 G CA 1.202 46.350 45.100 0.080 0.000 0.944 105 G HN 1.329 nan 8.290 nan 0.000 0.568 106 T N 1.163 115.784 114.554 0.112 0.000 3.007 106 T HA 0.056 4.407 4.350 0.000 0.000 0.270 106 T C 2.685 177.456 174.700 0.119 0.000 1.107 106 T CA 2.225 64.399 62.100 0.124 0.000 1.118 106 T CB -0.390 68.570 68.868 0.153 0.000 0.889 106 T HN 1.466 nan 8.240 nan 0.000 0.506 107 S N 1.101 116.868 115.700 0.112 0.000 2.507 107 S HA 0.029 4.499 4.470 0.000 0.000 0.235 107 S C 1.805 176.454 174.600 0.082 0.000 0.988 107 S CA 0.262 58.520 58.200 0.098 0.000 0.944 107 S CB -0.430 62.832 63.200 0.103 0.000 0.762 107 S HN 0.340 nan 8.310 nan 0.000 0.526 108 I N 1.775 122.403 120.570 0.098 0.000 3.226 108 I HA 0.203 4.373 4.170 0.000 0.000 0.277 108 I C 1.745 177.934 176.117 0.121 0.000 1.243 108 I CA 0.684 62.047 61.300 0.105 0.000 1.459 108 I CB -0.407 37.659 38.000 0.110 0.000 1.093 108 I HN 0.576 nan 8.210 nan 0.000 0.453 109 I N -1.707 118.939 120.570 0.125 0.000 4.240 109 I HA 0.209 4.379 4.170 0.000 0.000 0.331 109 I C 0.512 176.781 176.117 0.253 0.000 1.381 109 I CA -0.525 60.870 61.300 0.158 0.000 1.136 109 I CB -0.118 37.923 38.000 0.068 0.000 1.137 109 I HN 0.009 nan 8.210 nan 0.000 0.411 110 N N 2.478 121.299 118.700 0.201 0.000 2.366 110 N HA 0.271 5.012 4.740 0.000 0.000 0.277 110 N C 0.953 176.518 175.510 0.092 0.000 1.275 110 N CA 0.134 53.314 53.050 0.215 0.000 0.964 110 N CB 0.519 39.100 38.487 0.157 0.000 1.167 110 N HN 0.075 nan 8.380 nan 0.000 0.568 111 A N -2.108 120.673 122.820 -0.065 0.000 2.259 111 A HA 0.370 4.691 4.320 0.000 0.000 0.208 111 A C 1.524 179.090 177.584 -0.030 0.000 1.201 111 A CA 0.476 52.288 52.037 -0.375 0.000 0.824 111 A CB -1.558 17.260 19.000 -0.303 0.000 0.838 111 A HN 1.384 nan 8.150 nan 0.000 0.485 112 G N -1.309 107.406 108.800 -0.142 0.000 2.189 112 G HA2 -0.269 3.691 3.960 0.000 0.000 0.267 112 G HA3 -0.269 3.691 3.960 0.000 0.000 0.267 112 G C 0.364 175.241 174.900 -0.037 0.000 0.975 112 G CA 0.371 45.292 45.100 -0.298 0.000 0.644 112 G HN 0.857 nan 8.290 nan 0.000 0.537 113 V N 0.547 120.463 119.914 0.004 0.000 2.529 113 V HA 0.390 4.510 4.120 0.000 0.000 0.292 113 V C 0.187 176.284 176.094 0.005 0.000 1.028 113 V CA 0.146 62.403 62.300 -0.071 0.000 1.074 113 V CB 0.850 32.387 31.823 -0.477 0.000 0.958 113 V HN 0.354 nan 8.190 nan 0.000 0.481 114 Y N 4.114 124.367 120.300 -0.078 0.000 2.341 114 Y HA 0.716 5.266 4.550 0.000 0.000 0.338 114 Y C -0.053 175.792 175.900 -0.092 0.000 0.965 114 Y CA -0.393 57.673 58.100 -0.057 0.000 1.108 114 Y CB 1.463 39.905 38.460 -0.030 0.000 1.180 114 Y HN 0.784 nan 8.280 nan 0.000 0.458 115 A N 6.404 128.814 122.820 -0.682 0.000 2.549 115 A HA 0.708 5.028 4.320 0.000 0.000 0.297 115 A C -1.294 175.851 177.584 -0.732 0.000 1.061 115 A CA -1.089 50.639 52.037 -0.516 0.000 0.690 115 A CB 1.534 20.373 19.000 -0.269 0.000 1.287 115 A HN 0.845 nan 8.150 nan 0.000 0.402 116 R N 0.597 120.751 120.500 -0.576 0.000 2.500 116 R HA 0.585 4.925 4.340 0.000 0.000 0.275 116 R C 0.513 176.574 176.300 -0.400 0.000 1.051 116 R CA 0.009 55.702 56.100 -0.678 0.000 1.088 116 R CB 1.353 31.175 30.300 -0.796 0.000 1.063 116 R HN 0.912 nan 8.270 nan 0.000 0.511 117 A N 2.103 124.781 122.820 -0.236 0.000 2.425 117 A HA -0.023 4.297 4.320 0.000 0.000 0.242 117 A C 0.263 177.671 177.584 -0.292 0.000 1.077 117 A CA -0.372 51.464 52.037 -0.335 0.000 0.781 117 A CB 0.129 18.879 19.000 -0.418 0.000 1.020 117 A HN 0.746 nan 8.150 nan 0.000 0.494 118 N N 0.881 119.331 118.700 -0.417 0.000 2.365 118 N HA -0.064 4.676 4.740 0.000 0.000 0.265 118 N C 1.467 176.868 175.510 -0.182 0.000 1.288 118 N CA 0.976 53.879 53.050 -0.244 0.000 0.869 118 N CB 0.589 38.895 38.487 -0.302 0.000 1.071 118 N HN 0.712 nan 8.380 nan 0.000 0.480 119 T N 0.117 114.649 114.554 -0.037 0.000 3.025 119 T HA -0.061 4.290 4.350 0.000 0.000 0.270 119 T C 1.339 176.093 174.700 0.090 0.000 1.126 119 T CA 0.964 63.127 62.100 0.105 0.000 1.105 119 T CB -0.076 68.809 68.868 0.029 0.000 0.884 119 T HN 0.349 nan 8.240 nan 0.000 0.522 120 S N 1.156 116.834 115.700 -0.036 0.000 2.548 120 S HA 0.299 4.769 4.470 0.000 0.000 0.215 120 S C 1.714 176.251 174.600 -0.105 0.000 0.976 120 S CA 0.092 58.265 58.200 -0.044 0.000 0.908 120 S CB -0.385 62.780 63.200 -0.058 0.000 0.781 120 S HN 0.823 nan 8.310 nan 0.000 0.519 121 I N -2.516 117.896 120.570 -0.263 0.000 3.578 121 I HA 0.106 4.276 4.170 0.000 0.000 0.295 121 I C 1.408 177.269 176.117 -0.427 0.000 1.280 121 I CA 0.597 61.661 61.300 -0.393 0.000 1.347 121 I CB -0.482 37.157 38.000 -0.602 0.000 1.051 121 I HN 0.070 nan 8.210 nan 0.000 0.460 122 Y N 1.673 121.804 120.300 -0.281 0.000 2.314 122 Y HA -0.067 4.484 4.550 0.000 0.000 0.293 122 Y C 2.899 178.837 175.900 0.063 0.000 1.129 122 Y CA 1.404 59.342 58.100 -0.269 0.000 1.201 122 Y CB -0.459 37.730 38.460 -0.453 0.000 0.999 122 Y HN 0.149 nan 8.280 nan 0.000 0.541 123 S N -0.289 115.513 115.700 0.170 0.000 2.399 123 S HA -0.119 4.351 4.470 0.000 0.000 0.231 123 S C 1.909 176.578 174.600 0.114 0.000 1.022 123 S CA 1.087 59.376 58.200 0.148 0.000 0.983 123 S CB -0.372 62.880 63.200 0.088 0.000 0.803 123 S HN 0.458 nan 8.310 nan 0.000 0.480 124 A N 1.023 123.882 122.820 0.065 0.000 2.460 124 A HA 0.306 4.626 4.320 0.000 0.000 0.258 124 A C 1.841 179.467 177.584 0.071 0.000 1.300 124 A CA 0.439 52.509 52.037 0.055 0.000 0.913 124 A CB -0.297 18.720 19.000 0.027 0.000 1.031 124 A HN 0.461 nan 8.150 nan 0.000 0.512 125 S N -1.546 114.222 115.700 0.115 0.000 2.436 125 S HA 0.306 4.776 4.470 0.000 0.000 0.228 125 S C 1.559 176.320 174.600 0.269 0.000 1.014 125 S CA 1.207 59.505 58.200 0.164 0.000 0.950 125 S CB -0.236 63.093 63.200 0.215 0.000 0.784 125 S HN 1.776 nan 8.310 nan 0.000 0.504 126 G N -0.184 108.720 108.800 0.174 0.000 2.176 126 G HA2 -0.172 3.788 3.960 0.000 0.000 0.232 126 G HA3 -0.172 3.788 3.960 0.000 0.000 0.232 126 G C -0.084 174.825 174.900 0.016 0.000 0.986 126 G CA -0.064 45.085 45.100 0.081 0.000 0.643 126 G HN 0.750 nan 8.290 nan 0.000 0.522 127 V N 0.921 120.862 119.914 0.044 0.000 2.604 127 V HA 0.547 4.667 4.120 0.000 0.000 0.305 127 V C -0.948 175.029 176.094 -0.195 0.000 1.043 127 V CA -1.001 61.166 62.300 -0.221 0.000 0.888 127 V CB 2.009 33.493 31.823 -0.565 0.000 0.995 127 V HN 0.169 nan 8.190 nan 0.000 0.429 128 D N 3.701 123.996 120.400 -0.176 0.000 2.441 128 D HA 0.249 4.889 4.640 0.000 0.000 0.221 128 D C -0.596 175.695 176.300 -0.014 0.000 1.156 128 D CA -0.039 53.953 54.000 -0.014 0.000 0.896 128 D CB 0.622 41.426 40.800 0.007 0.000 1.028 128 D HN 0.401 nan 8.370 nan 0.000 0.509 129 W N 1.108 122.481 121.300 0.122 0.000 2.261 129 W HA 0.138 4.798 4.660 0.000 0.000 0.323 129 W C 1.022 177.598 176.519 0.094 0.000 1.243 129 W CA -0.701 56.710 57.345 0.110 0.000 1.210 129 W CB 0.618 30.067 29.460 -0.019 0.000 1.149 129 W HN 0.175 nan 8.180 nan 0.000 0.562 130 D N 3.852 124.519 120.400 0.444 0.000 2.441 130 D HA 0.048 4.688 4.640 0.000 0.000 0.221 130 D C 1.001 177.437 176.300 0.228 0.000 1.156 130 D CA -0.082 54.079 54.000 0.268 0.000 0.896 130 D CB 0.712 41.644 40.800 0.220 0.000 1.028 130 D HN 0.189 nan 8.370 nan 0.000 0.509 131 M N 1.920 121.573 119.600 0.087 0.000 2.279 131 M HA -0.112 4.368 4.480 0.000 0.000 0.264 131 M C 1.034 177.330 176.300 -0.008 0.000 1.062 131 M CA 0.928 56.202 55.300 -0.043 0.000 1.099 131 M CB -0.466 32.068 32.600 -0.110 0.000 1.394 131 M HN 0.339 nan 8.290 nan 0.000 0.426 132 D N 0.227 120.644 120.400 0.028 0.000 2.117 132 D HA -0.111 4.529 4.640 0.000 0.000 0.198 132 D C 2.069 178.393 176.300 0.039 0.000 0.982 132 D CA 0.866 54.881 54.000 0.025 0.000 0.828 132 D CB -0.236 40.576 40.800 0.021 0.000 0.967 132 D HN 0.238 nan 8.370 nan 0.000 0.464 133 L N 0.722 121.988 121.223 0.071 0.000 2.056 133 L HA -0.109 4.232 4.340 0.000 0.000 0.207 133 L C 2.222 179.162 176.870 0.116 0.000 1.078 133 L CA 1.211 56.097 54.840 0.077 0.000 0.749 133 L CB -0.522 41.580 42.059 0.072 0.000 0.901 133 L HN -0.155 nan 8.230 nan 0.000 0.433 134 V N 0.488 120.486 119.914 0.139 0.000 2.255 134 V HA -0.333 3.788 4.120 0.000 0.000 0.247 134 V C 2.400 178.433 176.094 -0.101 0.000 1.051 134 V CA 2.126 64.391 62.300 -0.058 0.000 1.018 134 V CB -0.905 30.761 31.823 -0.262 0.000 0.641 134 V HN 0.520 nan 8.190 nan 0.000 0.445 135 N N -0.240 118.478 118.700 0.029 0.000 2.188 135 N HA -0.153 4.588 4.740 0.000 0.000 0.184 135 N C 1.913 177.502 175.510 0.132 0.000 1.018 135 N CA 1.160 54.300 53.050 0.151 0.000 0.858 135 N CB -0.338 38.209 38.487 0.100 0.000 0.989 135 N HN 0.586 nan 8.380 nan 0.000 0.426 136 Q N -0.385 119.458 119.800 0.072 0.000 2.124 136 Q HA -0.041 4.299 4.340 0.000 0.000 0.202 136 Q C 1.621 177.676 176.000 0.091 0.000 0.977 136 Q CA 1.508 57.353 55.803 0.071 0.000 0.850 136 Q CB -0.089 28.666 28.738 0.027 0.000 0.901 136 Q HN 0.356 nan 8.270 nan 0.000 0.429 137 T N -0.196 114.373 114.554 0.025 0.000 2.812 137 T HA -0.129 4.221 4.350 0.000 0.000 0.264 137 T C 1.382 176.169 174.700 0.144 0.000 1.042 137 T CA 0.996 63.092 62.100 -0.008 0.000 1.140 137 T CB -0.373 68.423 68.868 -0.120 0.000 0.870 137 T HN 0.349 nan 8.240 nan 0.000 0.445 138 Y N 1.607 121.983 120.300 0.127 0.000 2.165 138 Y HA -0.167 4.384 4.550 0.000 0.000 0.286 138 Y C 2.666 178.652 175.900 0.144 0.000 1.155 138 Y CA 1.003 59.194 58.100 0.153 0.000 1.164 138 Y CB -0.133 38.396 38.460 0.115 0.000 0.978 138 Y HN 0.320 nan 8.280 nan 0.000 0.513 139 E N -1.059 119.311 120.200 0.285 0.000 2.077 139 E HA -0.276 4.075 4.350 0.000 0.000 0.193 139 E C 1.757 178.466 176.600 0.181 0.000 0.989 139 E CA 1.298 57.802 56.400 0.173 0.000 0.800 139 E CB -0.421 29.359 29.700 0.134 0.000 0.746 139 E HN 0.578 nan 8.360 nan 0.000 0.452 140 W N 0.927 122.238 121.300 0.019 0.000 2.338 140 W HA -0.231 4.429 4.660 0.000 0.000 0.304 140 W C 1.960 178.464 176.519 -0.024 0.000 1.212 140 W CA 1.362 58.702 57.345 -0.008 0.000 1.264 140 W CB -0.148 29.309 29.460 -0.005 0.000 1.142 140 W HN -0.172 nan 8.180 nan 0.000 0.512 141 V N 0.677 120.802 119.914 0.352 0.000 2.323 141 V HA -0.270 3.850 4.120 0.000 0.000 0.244 141 V C 2.026 178.061 176.094 -0.098 0.000 1.041 141 V CA 2.368 64.758 62.300 0.149 0.000 1.025 141 V CB -0.977 31.028 31.823 0.303 0.000 0.656 141 V HN 0.147 nan 8.190 nan 0.000 0.451 142 E N 0.135 120.279 120.200 -0.094 0.000 2.077 142 E HA -0.237 4.114 4.350 0.000 0.000 0.193 142 E C 1.820 178.231 176.600 -0.315 0.000 0.989 142 E CA 1.452 57.679 56.400 -0.288 0.000 0.800 142 E CB -0.202 29.375 29.700 -0.204 0.000 0.746 142 E HN 0.549 nan 8.360 nan 0.000 0.452 143 D N -0.512 119.757 120.400 -0.220 0.000 2.350 143 D HA -0.067 4.573 4.640 0.000 0.000 0.216 143 D C 1.338 177.449 176.300 -0.315 0.000 0.968 143 D CA 0.964 54.821 54.000 -0.238 0.000 0.894 143 D CB 0.059 40.761 40.800 -0.162 0.000 0.909 143 D HN 0.156 nan 8.370 nan 0.000 0.520 144 T N -0.290 114.047 114.554 -0.362 0.000 3.056 144 T HA 0.150 4.500 4.350 0.000 0.000 0.241 144 T C 1.727 176.197 174.700 -0.383 0.000 1.006 144 T CA 0.051 61.930 62.100 -0.368 0.000 1.115 144 T CB 0.629 69.249 68.868 -0.414 0.000 0.939 144 T HN 0.274 nan 8.240 nan 0.000 0.462 145 I N -1.239 119.090 120.570 -0.400 0.000 4.160 145 I HA 0.514 4.684 4.170 0.000 0.000 0.325 145 I C -0.872 174.976 176.117 -0.448 0.000 1.455 145 I CA -0.510 60.597 61.300 -0.322 0.000 1.142 145 I CB 0.785 38.739 38.000 -0.076 0.000 1.262 145 I HN -0.179 nan 8.210 nan 0.000 0.483 146 V N 1.642 121.083 119.914 -0.789 0.000 2.555 146 V HA 0.529 4.649 4.120 0.000 0.000 0.302 146 V C -0.983 174.575 176.094 -0.893 0.000 1.038 146 V CA -0.369 61.514 62.300 -0.696 0.000 0.887 146 V CB 1.489 32.824 31.823 -0.813 0.000 0.991 146 V HN 0.171 nan 8.190 nan 0.000 0.434 147 Y N 1.596 121.835 120.300 -0.102 0.000 2.536 147 Y HA 0.509 5.059 4.550 0.000 0.000 0.347 147 Y C 0.107 176.004 175.900 -0.004 0.000 1.000 147 Y CA -1.247 56.819 58.100 -0.057 0.000 1.051 147 Y CB 1.657 40.091 38.460 -0.044 0.000 1.259 147 Y HN 0.494 nan 8.280 nan 0.000 0.468 148 K N 5.197 125.612 120.400 0.026 0.000 2.316 148 K HA 0.291 4.611 4.320 0.000 0.000 0.289 148 K C -2.588 173.945 176.600 -0.110 0.000 1.070 148 K CA -1.706 54.416 56.287 -0.275 0.000 0.928 148 K CB 0.449 32.556 32.500 -0.656 0.000 1.039 148 K HN 0.379 nan 8.250 nan 0.000 0.480 149 P HA 0.007 nan 4.420 nan 0.000 0.272 149 P C -1.198 176.090 177.300 -0.019 0.000 1.223 149 P CA -0.414 62.707 63.100 0.034 0.000 0.784 149 P CB 0.506 32.272 31.700 0.110 0.000 0.923 150 N N -0.172 118.531 118.700 0.005 0.000 2.424 150 N HA 0.172 4.912 4.740 0.000 0.000 0.257 150 N C -0.055 175.462 175.510 0.013 0.000 1.250 150 N CA -0.620 52.427 53.050 -0.006 0.000 0.946 150 N CB -0.360 38.127 38.487 0.001 0.000 1.175 150 N HN 0.392 nan 8.380 nan 0.000 0.477 151 S N -0.819 114.887 115.700 0.010 0.000 2.576 151 S HA 0.212 4.682 4.470 0.000 0.000 0.276 151 S C -0.424 174.198 174.600 0.036 0.000 1.339 151 S CA -0.698 57.518 58.200 0.026 0.000 1.039 151 S CB 0.243 63.456 63.200 0.021 0.000 0.902 151 S HN 0.645 nan 8.310 nan 0.000 0.516 152 Q N 1.049 120.879 119.800 0.049 0.000 2.305 152 Q HA 0.368 4.709 4.340 0.000 0.000 0.271 152 Q C 0.554 176.597 176.000 0.071 0.000 1.046 152 Q CA -0.629 55.211 55.803 0.062 0.000 0.798 152 Q CB 1.955 30.738 28.738 0.076 0.000 1.286 152 Q HN 0.763 nan 8.270 nan 0.000 0.435 153 S N 2.673 118.425 115.700 0.086 0.000 2.368 153 S HA -0.188 4.282 4.470 0.000 0.000 0.226 153 S C 1.142 175.810 174.600 0.113 0.000 1.044 153 S CA 1.618 59.880 58.200 0.104 0.000 1.062 153 S CB -0.058 63.222 63.200 0.133 0.000 0.931 153 S HN 0.852 nan 8.310 nan 0.000 0.440 154 W N 1.331 122.616 121.300 -0.026 0.000 2.363 154 W HA -0.101 4.560 4.660 0.000 0.000 0.296 154 W C 2.059 178.551 176.519 -0.044 0.000 1.212 154 W CA 1.224 58.526 57.345 -0.073 0.000 1.260 154 W CB -0.301 29.077 29.460 -0.136 0.000 1.131 154 W HN 0.426 nan 8.180 nan 0.000 0.530 155 Q N 0.079 119.850 119.800 -0.049 0.000 2.119 155 Q HA -0.121 4.219 4.340 0.000 0.000 0.201 155 Q C 2.234 178.169 176.000 -0.109 0.000 0.972 155 Q CA 1.664 57.421 55.803 -0.077 0.000 0.847 155 Q CB -0.813 27.961 28.738 0.061 0.000 0.903 155 Q HN 0.195 nan 8.270 nan 0.000 0.433 156 S N 0.312 115.969 115.700 -0.072 0.000 2.383 156 S HA -0.070 4.401 4.470 0.000 0.000 0.227 156 S C 2.166 176.698 174.600 -0.113 0.000 1.026 156 S CA 0.826 58.999 58.200 -0.045 0.000 0.981 156 S CB -0.089 63.111 63.200 -0.001 0.000 0.818 156 S HN 0.127 nan 8.310 nan 0.000 0.472 157 V N 1.790 121.558 119.914 -0.243 0.000 2.343 157 V HA -0.173 3.947 4.120 0.000 0.000 0.247 157 V C 2.497 178.348 176.094 -0.404 0.000 1.051 157 V CA 2.033 64.137 62.300 -0.328 0.000 1.036 157 V CB -1.270 30.213 31.823 -0.566 0.000 0.654 157 V HN 0.498 nan 8.190 nan 0.000 0.451 158 T N -0.422 113.790 114.554 -0.571 0.000 2.746 158 T HA -0.253 4.098 4.350 0.000 0.000 0.267 158 T C 1.945 176.565 174.700 -0.133 0.000 1.039 158 T CA 1.871 63.720 62.100 -0.419 0.000 1.142 158 T CB -0.208 68.430 68.868 -0.382 0.000 0.866 158 T HN 0.481 nan 8.240 nan 0.000 0.444 159 K N 0.822 121.226 120.400 0.006 0.000 2.063 159 K HA -0.165 4.155 4.320 0.000 0.000 0.208 159 K C 2.499 179.173 176.600 0.123 0.000 1.048 159 K CA 1.844 58.227 56.287 0.160 0.000 0.928 159 K CB -0.329 32.236 32.500 0.110 0.000 0.713 159 K HN 0.513 nan 8.250 nan 0.000 0.442 160 T N -1.607 112.967 114.554 0.032 0.000 2.788 160 T HA -0.038 4.312 4.350 0.000 0.000 0.268 160 T C 2.001 176.729 174.700 0.047 0.000 1.044 160 T CA 1.012 63.137 62.100 0.043 0.000 1.139 160 T CB -0.372 68.509 68.868 0.021 0.000 0.867 160 T HN 0.265 nan 8.240 nan 0.000 0.454 161 A N 0.773 123.581 122.820 -0.021 0.000 1.873 161 A HA 0.179 4.499 4.320 0.000 0.000 0.215 161 A C 2.112 179.703 177.584 0.012 0.000 1.186 161 A CA 1.026 53.032 52.037 -0.052 0.000 0.616 161 A CB -1.170 17.730 19.000 -0.167 0.000 0.823 161 A HN 0.539 nan 8.150 nan 0.000 0.442 162 F N 0.046 120.035 119.950 0.065 0.000 2.095 162 F HA -0.181 4.347 4.527 0.000 0.000 0.298 162 F C 2.175 178.023 175.800 0.079 0.000 1.104 162 F CA 1.160 59.206 58.000 0.076 0.000 1.232 162 F CB -0.199 38.855 39.000 0.091 0.000 0.987 162 F HN 0.121 nan 8.300 nan 0.000 0.475 163 L N -0.427 120.981 121.223 0.307 0.000 2.093 163 L HA -0.197 4.144 4.340 0.000 0.000 0.208 163 L C 2.328 179.371 176.870 0.288 0.000 1.085 163 L CA 1.274 56.296 54.840 0.304 0.000 0.755 163 L CB -0.575 41.604 42.059 0.200 0.000 0.904 163 L HN 0.176 nan 8.230 nan 0.000 0.435 164 E N 0.400 120.701 120.200 0.169 0.000 2.152 164 E HA -0.150 4.200 4.350 0.000 0.000 0.192 164 E C 1.872 178.521 176.600 0.083 0.000 0.983 164 E CA 0.843 57.315 56.400 0.119 0.000 0.818 164 E CB 0.102 29.848 29.700 0.076 0.000 0.758 164 E HN 0.445 nan 8.360 nan 0.000 0.467 165 A N -0.151 122.714 122.820 0.074 0.000 2.302 165 A HA 0.265 4.585 4.320 0.000 0.000 0.219 165 A C 1.417 178.974 177.584 -0.044 0.000 1.243 165 A CA 0.774 52.832 52.037 0.035 0.000 0.856 165 A CB -0.331 18.709 19.000 0.068 0.000 0.893 165 A HN 0.369 nan 8.150 nan 0.000 0.491 166 G N -1.530 107.151 108.800 -0.198 0.000 2.136 166 G HA2 -0.209 3.751 3.960 0.000 0.000 0.242 166 G HA3 -0.209 3.751 3.960 0.000 0.000 0.242 166 G C 0.171 174.682 174.900 -0.647 0.000 0.989 166 G CA 0.148 44.861 45.100 -0.645 0.000 0.682 166 G HN 0.811 nan 8.290 nan 0.000 0.522 167 V N 2.206 121.961 119.914 -0.266 0.000 2.276 167 V HA 0.336 4.457 4.120 0.000 0.000 0.249 167 V C 0.710 176.822 176.094 0.030 0.000 1.160 167 V CA -0.096 62.152 62.300 -0.087 0.000 1.042 167 V CB -0.590 31.247 31.823 0.023 0.000 1.224 167 V HN 0.498 nan 8.190 nan 0.000 0.496 168 H N 4.834 123.884 119.070 -0.033 0.000 2.616 168 H HA 0.539 5.095 4.556 0.000 0.000 0.353 168 H C -2.134 173.137 175.328 -0.096 0.000 1.170 168 H CA -2.184 53.823 56.048 -0.067 0.000 1.212 168 H CB 2.378 32.109 29.762 -0.052 0.000 1.653 168 H HN 0.368 nan 8.280 nan 0.000 0.537 169 P HA 0.031 nan 4.420 nan 0.000 0.306 169 P C -0.752 176.379 177.300 -0.282 0.000 1.309 169 P CA -0.570 62.426 63.100 -0.174 0.000 0.759 169 P CB 0.936 32.466 31.700 -0.283 0.000 1.314 170 N N -0.575 117.951 118.700 -0.290 0.000 2.426 170 N HA 0.079 4.819 4.740 0.000 0.000 0.275 170 N C 0.485 175.812 175.510 -0.306 0.000 1.019 170 N CA -0.087 52.841 53.050 -0.203 0.000 0.941 170 N CB 0.007 38.432 38.487 -0.103 0.000 1.123 170 N HN 0.268 nan 8.380 nan 0.000 0.486 171 H N 2.691 121.736 119.070 -0.041 0.000 2.586 171 H HA 0.220 4.776 4.556 0.000 0.000 0.273 171 H C 1.320 176.630 175.328 -0.030 0.000 0.997 171 H CA 0.485 56.500 56.048 -0.054 0.000 1.177 171 H CB 0.213 29.918 29.762 -0.095 0.000 1.471 171 H HN 0.796 nan 8.280 nan 0.000 0.538 172 G N 1.830 110.679 108.800 0.082 0.000 2.574 172 G HA2 -0.336 3.624 3.960 0.000 0.000 0.286 172 G HA3 -0.336 3.624 3.960 0.000 0.000 0.286 172 G C -0.271 174.720 174.900 0.151 0.000 1.212 172 G CA 0.250 45.413 45.100 0.104 0.000 0.979 172 G HN 0.357 nan 8.290 nan 0.000 0.557 173 F N 2.308 122.277 119.950 0.032 0.000 2.405 173 F HA 0.700 5.228 4.527 0.000 0.000 0.355 173 F C 0.336 176.145 175.800 0.014 0.000 1.121 173 F CA 0.012 58.027 58.000 0.024 0.000 1.112 173 F CB 1.660 40.672 39.000 0.019 0.000 1.126 173 F HN 0.899 nan 8.300 nan 0.000 0.481 174 S N 5.864 121.089 115.700 -0.791 0.000 2.535 174 S HA 0.420 4.890 4.470 0.000 0.000 0.272 174 S C 0.003 174.223 174.600 -0.633 0.000 1.149 174 S CA -0.786 57.020 58.200 -0.657 0.000 0.888 174 S CB 0.971 63.979 63.200 -0.319 0.000 1.110 174 S HN 0.756 nan 8.310 nan 0.000 0.463 175 L N 1.753 122.675 121.223 -0.501 0.000 2.446 175 L HA 0.255 4.596 4.340 0.000 0.000 0.219 175 L C 0.248 176.947 176.870 -0.285 0.000 1.116 175 L CA 0.312 54.967 54.840 -0.309 0.000 0.844 175 L CB -0.122 41.839 42.059 -0.163 0.000 0.970 175 L HN 0.579 nan 8.230 nan 0.000 0.457 176 D N -0.005 120.212 120.400 -0.305 0.000 2.350 176 D HA 0.018 4.659 4.640 0.000 0.000 0.249 176 D C -0.195 175.925 176.300 -0.300 0.000 1.119 176 D CA 0.035 53.861 54.000 -0.289 0.000 0.886 176 D CB 0.990 41.629 40.800 -0.268 0.000 1.195 176 D HN 0.050 nan 8.370 nan 0.000 0.437 177 H N 2.179 121.042 119.070 -0.345 0.000 3.089 177 H HA 0.147 4.703 4.556 0.000 0.000 0.262 177 H C -0.586 174.543 175.328 -0.331 0.000 1.160 177 H CA 0.378 56.214 56.048 -0.354 0.000 1.482 177 H CB 0.153 29.681 29.762 -0.390 0.000 1.511 177 H HN 0.241 nan 8.280 nan 0.000 0.483 178 E N 3.261 123.086 120.200 -0.625 0.000 2.367 178 E HA 0.107 4.457 4.350 0.000 0.000 0.273 178 E C -0.845 175.497 176.600 -0.429 0.000 0.903 178 E CA -1.148 54.953 56.400 -0.498 0.000 0.764 178 E CB 1.992 31.348 29.700 -0.574 0.000 1.252 178 E HN 0.674 nan 8.360 nan 0.000 0.446 179 E N 1.076 121.131 120.200 -0.242 0.000 2.452 179 E HA 0.276 4.627 4.350 0.000 0.000 0.261 179 E C 0.096 176.707 176.600 0.018 0.000 0.987 179 E CA 0.712 57.022 56.400 -0.150 0.000 0.926 179 E CB 0.325 29.961 29.700 -0.107 0.000 0.934 179 E HN 0.704 nan 8.360 nan 0.000 0.452 180 G N 2.544 111.320 108.800 -0.040 0.000 2.343 180 G HA2 -0.099 3.861 3.960 0.000 0.000 0.562 180 G HA3 -0.099 3.861 3.960 0.000 0.000 0.562 180 G C -0.839 174.047 174.900 -0.023 0.000 1.269 180 G CA -0.392 44.722 45.100 0.024 0.000 1.011 180 G HN 0.581 nan 8.290 nan 0.000 0.498 181 T N 0.806 115.368 114.554 0.013 0.000 2.859 181 T HA 0.805 5.155 4.350 0.000 0.000 0.281 181 T C 0.318 175.054 174.700 0.059 0.000 1.005 181 T CA 0.042 62.122 62.100 -0.034 0.000 1.025 181 T CB 1.502 70.383 68.868 0.022 0.000 0.977 181 T HN 1.052 nan 8.240 nan 0.000 0.458 182 R N 1.211 121.727 120.500 0.026 0.000 2.728 182 R HA 0.603 4.943 4.340 0.000 0.000 0.274 182 R C -1.947 174.387 176.300 0.057 0.000 1.030 182 R CA -0.972 55.160 56.100 0.053 0.000 0.876 182 R CB 0.855 31.161 30.300 0.010 0.000 1.259 182 R HN 0.493 nan 8.270 nan 0.000 0.468 183 I N 1.436 122.065 120.570 0.099 0.000 2.354 183 I HA 0.299 4.469 4.170 0.000 0.000 0.292 183 I C 0.146 176.345 176.117 0.136 0.000 0.989 183 I CA -0.628 60.776 61.300 0.174 0.000 1.188 183 I CB 2.006 40.175 38.000 0.282 0.000 1.342 183 I HN 0.694 nan 8.210 nan 0.000 0.457 184 T N 3.802 118.418 114.554 0.103 0.000 2.889 184 T HA 0.611 4.961 4.350 0.000 0.000 0.278 184 T C 0.313 175.164 174.700 0.251 0.000 0.995 184 T CA -0.377 61.725 62.100 0.003 0.000 0.966 184 T CB 1.502 70.338 68.868 -0.054 0.000 1.237 184 T HN 0.698 nan 8.240 nan 0.000 0.591 185 G N 0.429 109.363 108.800 0.222 0.000 2.580 185 G HA2 0.504 4.464 3.960 0.000 0.000 0.278 185 G HA3 0.504 4.464 3.960 0.000 0.000 0.278 185 G C -0.755 174.299 174.900 0.256 0.000 1.212 185 G CA -0.286 45.013 45.100 0.332 0.000 0.939 185 G HN 0.707 nan 8.290 nan 0.000 0.513 186 S N -2.304 113.535 115.700 0.231 0.000 2.564 186 S HA 0.508 4.978 4.470 0.000 0.000 0.274 186 S C 0.858 175.580 174.600 0.203 0.000 1.124 186 S CA 0.101 58.428 58.200 0.213 0.000 0.869 186 S CB 1.515 64.871 63.200 0.261 0.000 1.105 186 S HN 0.952 nan 8.310 nan 0.000 0.472 187 T N 0.719 115.316 114.554 0.072 0.000 3.129 187 T HA 0.350 4.700 4.350 0.000 0.000 0.251 187 T C 0.101 174.840 174.700 0.064 0.000 1.117 187 T CA 0.095 62.238 62.100 0.073 0.000 1.034 187 T CB -0.704 68.138 68.868 -0.042 0.000 0.968 187 T HN 0.408 nan 8.240 nan 0.000 0.526 188 F N 3.307 123.373 119.950 0.193 0.000 2.408 188 F HA 0.441 4.968 4.527 0.000 0.000 0.344 188 F C 0.694 176.459 175.800 -0.059 0.000 1.112 188 F CA -1.526 56.518 58.000 0.075 0.000 1.096 188 F CB 0.980 40.006 39.000 0.044 0.000 1.129 188 F HN 0.138 nan 8.300 nan 0.000 0.486 189 D N 1.080 121.411 120.400 -0.114 0.000 2.478 189 D HA 0.038 4.678 4.640 0.000 0.000 0.269 189 D C 0.545 176.750 176.300 -0.157 0.000 1.232 189 D CA -0.547 53.120 54.000 -0.555 0.000 1.059 189 D CB 0.380 40.588 40.800 -0.987 0.000 1.104 189 D HN 0.357 nan 8.370 nan 0.000 0.566 190 N N -0.561 118.054 118.700 -0.142 0.000 2.585 190 N HA -0.105 4.635 4.740 0.000 0.000 0.188 190 N C 0.632 176.117 175.510 -0.042 0.000 1.102 190 N CA 0.656 53.675 53.050 -0.052 0.000 0.920 190 N CB 0.142 38.609 38.487 -0.034 0.000 0.963 190 N HN 0.466 nan 8.380 nan 0.000 0.447 191 K N -0.434 119.934 120.400 -0.052 0.000 2.358 191 K HA 0.164 4.484 4.320 0.000 0.000 0.200 191 K C 0.826 177.404 176.600 -0.036 0.000 1.030 191 K CA 0.187 56.453 56.287 -0.035 0.000 1.097 191 K CB 0.960 33.444 32.500 -0.027 0.000 0.862 191 K HN 0.108 nan 8.250 nan 0.000 0.534 192 G N 1.622 110.400 108.800 -0.036 0.000 2.157 192 G HA2 -0.231 3.729 3.960 0.000 0.000 0.248 192 G HA3 -0.231 3.729 3.960 0.000 0.000 0.248 192 G C 0.181 175.084 174.900 0.006 0.000 0.979 192 G CA 0.119 45.185 45.100 -0.057 0.000 0.650 192 G HN 0.255 nan 8.290 nan 0.000 0.529 193 T N 1.346 115.914 114.554 0.024 0.000 2.851 193 T HA 0.427 4.777 4.350 0.000 0.000 0.298 193 T C 0.659 175.409 174.700 0.083 0.000 0.977 193 T CA -0.094 62.011 62.100 0.010 0.000 1.126 193 T CB 1.303 70.129 68.868 -0.070 0.000 0.916 193 T HN 0.482 nan 8.240 nan 0.000 0.529 194 R N 2.797 123.383 120.500 0.143 0.000 2.390 194 R HA 0.187 4.527 4.340 0.000 0.000 0.291 194 R C -0.565 175.698 176.300 -0.061 0.000 1.070 194 R CA -0.415 55.794 56.100 0.181 0.000 1.014 194 R CB 0.391 30.848 30.300 0.263 0.000 1.007 194 R HN 0.696 nan 8.270 nan 0.000 0.466 195 H N 1.335 120.483 119.070 0.130 0.000 2.569 195 H HA 0.666 5.223 4.556 0.000 0.000 0.357 195 H C -0.665 174.707 175.328 0.073 0.000 1.153 195 H CA -0.427 55.686 56.048 0.108 0.000 1.193 195 H CB 2.178 32.017 29.762 0.128 0.000 1.602 195 H HN 0.788 nan 8.280 nan 0.000 0.523 196 A N 0.667 123.591 122.820 0.173 0.000 2.533 196 A HA 0.602 4.922 4.320 0.000 0.000 0.293 196 A C 0.728 178.361 177.584 0.082 0.000 1.228 196 A CA 0.049 52.163 52.037 0.128 0.000 0.689 196 A CB 0.214 19.309 19.000 0.160 0.000 1.303 196 A HN 0.649 nan 8.150 nan 0.000 0.444 197 A N 0.087 122.957 122.820 0.083 0.000 1.978 197 A HA -0.135 4.185 4.320 0.000 0.000 0.220 197 A C 1.533 179.124 177.584 0.012 0.000 1.170 197 A CA 2.344 54.418 52.037 0.061 0.000 0.636 197 A CB -0.905 18.142 19.000 0.077 0.000 0.810 197 A HN 0.941 nan 8.150 nan 0.000 0.448 198 D N 0.121 120.530 120.400 0.014 0.000 2.182 198 D HA -0.222 4.418 4.640 0.000 0.000 0.201 198 D C 1.391 177.586 176.300 -0.175 0.000 0.986 198 D CA 1.542 55.474 54.000 -0.114 0.000 0.847 198 D CB -0.696 40.123 40.800 0.032 0.000 0.942 198 D HN 0.646 nan 8.370 nan 0.000 0.467 199 E N 0.063 120.225 120.200 -0.062 0.000 2.268 199 E HA 0.001 4.351 4.350 0.000 0.000 0.195 199 E C 2.226 178.777 176.600 -0.082 0.000 0.995 199 E CA 0.110 56.459 56.400 -0.084 0.000 0.836 199 E CB -0.046 29.524 29.700 -0.216 0.000 0.763 199 E HN 0.375 nan 8.360 nan 0.000 0.491 200 L N 0.540 121.716 121.223 -0.079 0.000 2.465 200 L HA -0.111 4.230 4.340 0.000 0.000 0.224 200 L C 2.026 178.908 176.870 0.021 0.000 1.145 200 L CA 0.379 55.171 54.840 -0.081 0.000 0.834 200 L CB -0.211 41.871 42.059 0.038 0.000 0.944 200 L HN 0.201 nan 8.230 nan 0.000 0.451 201 L N -0.290 120.934 121.223 0.002 0.000 2.201 201 L HA -0.158 4.182 4.340 0.000 0.000 0.212 201 L C 2.028 179.051 176.870 0.255 0.000 1.105 201 L CA 0.670 55.568 54.840 0.097 0.000 0.775 201 L CB -0.523 41.490 42.059 -0.076 0.000 0.913 201 L HN 0.383 nan 8.230 nan 0.000 0.440 202 N N 0.090 118.901 118.700 0.186 0.000 2.453 202 N HA -0.112 4.628 4.740 0.000 0.000 0.183 202 N C 1.405 176.987 175.510 0.120 0.000 1.041 202 N CA 0.796 53.966 53.050 0.200 0.000 0.900 202 N CB 0.017 38.568 38.487 0.106 0.000 0.961 202 N HN 0.314 nan 8.380 nan 0.000 0.443 203 K N 0.571 121.009 120.400 0.063 0.000 2.459 203 K HA 0.111 4.431 4.320 0.000 0.000 0.193 203 K C 1.210 177.915 176.600 0.175 0.000 1.030 203 K CA -0.059 56.266 56.287 0.063 0.000 1.026 203 K CB 0.009 32.478 32.500 -0.051 0.000 0.809 203 K HN 0.090 nan 8.250 nan 0.000 0.504 204 G N 1.218 110.116 108.800 0.164 0.000 2.543 204 G HA2 0.023 3.983 3.960 0.000 0.000 0.290 204 G HA3 0.023 3.983 3.960 0.000 0.000 0.290 204 G C -0.417 174.510 174.900 0.044 0.000 1.310 204 G CA -0.474 44.683 45.100 0.095 0.000 1.025 204 G HN 0.089 nan 8.290 nan 0.000 0.502 205 N N -0.352 118.329 118.700 -0.032 0.000 2.414 205 N HA 0.098 4.838 4.740 0.000 0.000 0.256 205 N C 1.183 176.610 175.510 -0.138 0.000 1.029 205 N CA -0.272 52.754 53.050 -0.039 0.000 0.948 205 N CB 1.411 39.878 38.487 -0.033 0.000 1.102 205 N HN 0.174 nan 8.380 nan 0.000 0.496 206 S N 2.971 118.647 115.700 -0.040 0.000 2.493 206 S HA -0.130 4.340 4.470 0.000 0.000 0.243 206 S C 1.331 175.917 174.600 -0.022 0.000 0.991 206 S CA 0.827 59.017 58.200 -0.016 0.000 0.957 206 S CB -0.068 63.292 63.200 0.267 0.000 0.756 206 S HN 0.683 nan 8.310 nan 0.000 0.521 207 N N 0.991 119.681 118.700 -0.017 0.000 2.325 207 N HA 0.115 4.855 4.740 0.000 0.000 0.182 207 N C 0.851 176.359 175.510 -0.004 0.000 1.088 207 N CA 0.307 53.367 53.050 0.016 0.000 0.879 207 N CB 0.181 38.685 38.487 0.028 0.000 0.983 207 N HN 0.153 nan 8.380 nan 0.000 0.471 208 N N -0.518 118.150 118.700 -0.053 0.000 2.227 208 N HA 0.114 4.854 4.740 0.000 0.000 0.196 208 N C -0.866 174.619 175.510 -0.042 0.000 1.142 208 N CA -0.101 52.940 53.050 -0.016 0.000 0.887 208 N CB 0.988 39.474 38.487 -0.003 0.000 1.022 208 N HN 0.145 nan 8.380 nan 0.000 0.500 209 L N 1.488 122.577 121.223 -0.224 0.000 2.307 209 L HA 0.448 4.788 4.340 0.000 0.000 0.284 209 L C -0.603 176.097 176.870 -0.284 0.000 1.023 209 L CA -0.365 54.286 54.840 -0.315 0.000 0.810 209 L CB 0.922 42.654 42.059 -0.546 0.000 1.231 209 L HN -0.118 nan 8.230 nan 0.000 0.423 210 R N 3.777 124.274 120.500 -0.005 0.000 2.575 210 R HA 0.741 5.081 4.340 0.000 0.000 0.293 210 R C -1.576 174.845 176.300 0.202 0.000 0.983 210 R CA -0.862 55.372 56.100 0.224 0.000 0.887 210 R CB 2.356 32.779 30.300 0.206 0.000 1.184 210 R HN 0.435 nan 8.270 nan 0.000 0.445 211 V N 1.629 121.770 119.914 0.379 0.000 2.448 211 V HA 0.602 4.722 4.120 0.000 0.000 0.295 211 V C 0.235 176.441 176.094 0.188 0.000 1.025 211 V CA -0.770 61.666 62.300 0.225 0.000 0.859 211 V CB 1.927 33.905 31.823 0.257 0.000 0.988 211 V HN 0.939 nan 8.190 nan 0.000 0.431 212 G N 3.433 112.252 108.800 0.032 0.000 2.422 212 G HA2 0.646 4.606 3.960 0.000 0.000 0.317 212 G HA3 0.646 4.606 3.960 0.000 0.000 0.317 212 G C -0.594 174.277 174.900 -0.047 0.000 1.210 212 G CA -0.461 44.636 45.100 -0.006 0.000 0.930 212 G HN 0.855 nan 8.290 nan 0.000 0.468 213 V N -0.010 119.881 119.914 -0.039 0.000 2.975 213 V HA 0.630 4.750 4.120 0.000 0.000 0.318 213 V C 0.652 176.712 176.094 -0.057 0.000 1.077 213 V CA -0.913 61.318 62.300 -0.116 0.000 1.000 213 V CB 0.842 32.513 31.823 -0.253 0.000 1.066 213 V HN 1.030 nan 8.190 nan 0.000 0.452 214 H N -0.353 118.739 119.070 0.035 0.000 2.791 214 H HA -0.111 4.446 4.556 0.000 0.000 0.302 214 H C 0.358 175.702 175.328 0.027 0.000 1.198 214 H CA 0.373 56.445 56.048 0.039 0.000 1.145 214 H CB -1.047 28.746 29.762 0.051 0.000 1.385 214 H HN 1.241 nan 8.280 nan 0.000 0.409 215 A N 1.417 124.291 122.820 0.090 0.000 2.293 215 A HA 0.493 4.814 4.320 0.000 0.000 0.312 215 A C 0.216 177.827 177.584 0.046 0.000 1.309 215 A CA -0.078 51.980 52.037 0.036 0.000 0.839 215 A CB 1.196 20.080 19.000 -0.193 0.000 1.155 215 A HN 0.265 nan 8.150 nan 0.000 0.501 216 S N 2.851 118.612 115.700 0.102 0.000 2.409 216 S HA 0.380 4.851 4.470 0.000 0.000 0.308 216 S C -0.085 174.575 174.600 0.102 0.000 1.080 216 S CA -0.356 57.892 58.200 0.080 0.000 1.081 216 S CB -0.277 62.965 63.200 0.070 0.000 1.009 216 S HN 0.590 nan 8.310 nan 0.000 0.502 217 V N 6.603 126.557 119.914 0.066 0.000 2.439 217 V HA 0.164 4.284 4.120 0.000 0.000 0.271 217 V C 0.987 177.109 176.094 0.047 0.000 1.040 217 V CA 0.274 62.617 62.300 0.071 0.000 1.002 217 V CB 0.737 32.570 31.823 0.016 0.000 1.000 217 V HN 0.935 nan 8.190 nan 0.000 0.477 218 E N 3.476 123.705 120.200 0.048 0.000 2.389 218 E HA 0.202 4.553 4.350 0.000 0.000 0.199 218 E C 0.501 177.114 176.600 0.021 0.000 0.978 218 E CA 0.090 56.508 56.400 0.030 0.000 0.912 218 E CB 0.872 30.589 29.700 0.028 0.000 0.907 218 E HN 0.604 nan 8.360 nan 0.000 0.494 219 K N 0.827 121.231 120.400 0.007 0.000 2.578 219 K HA 0.344 4.664 4.320 0.000 0.000 0.269 219 K C -1.760 174.803 176.600 -0.062 0.000 0.941 219 K CA -0.488 55.797 56.287 -0.003 0.000 0.847 219 K CB 1.641 34.146 32.500 0.009 0.000 1.397 219 K HN -0.121 nan 8.250 nan 0.000 0.422 220 I N 4.653 125.168 120.570 -0.092 0.000 2.353 220 I HA 0.324 4.494 4.170 0.000 0.000 0.293 220 I C -0.015 175.827 176.117 -0.458 0.000 0.992 220 I CA -0.834 60.283 61.300 -0.305 0.000 1.268 220 I CB 1.165 38.945 38.000 -0.366 0.000 1.387 220 I HN 0.415 nan 8.210 nan 0.000 0.478 221 I N 5.842 126.117 120.570 -0.492 0.000 2.385 221 I HA 0.379 4.549 4.170 0.000 0.000 0.294 221 I C -0.636 175.177 176.117 -0.508 0.000 0.988 221 I CA -0.226 60.878 61.300 -0.326 0.000 1.265 221 I CB 0.774 38.679 38.000 -0.158 0.000 1.388 221 I HN 0.328 nan 8.210 nan 0.000 0.480 222 F N 2.296 122.271 119.950 0.043 0.000 2.611 222 F HA 0.466 4.993 4.527 0.000 0.000 0.324 222 F C 0.626 176.456 175.800 0.050 0.000 1.061 222 F CA -0.730 57.297 58.000 0.044 0.000 0.954 222 F CB 1.811 40.831 39.000 0.034 0.000 1.301 222 F HN 0.458 nan 8.300 nan 0.000 0.482 223 S N -0.077 115.779 115.700 0.261 0.000 2.655 223 S HA 0.389 4.859 4.470 0.000 0.000 0.265 223 S C -0.385 174.292 174.600 0.129 0.000 1.240 223 S CA -0.956 57.336 58.200 0.152 0.000 0.986 223 S CB 0.384 63.652 63.200 0.113 0.000 0.985 223 S HN 0.671 nan 8.310 nan 0.000 0.562 224 N N 0.275 119.023 118.700 0.081 0.000 2.482 224 N HA 0.440 5.180 4.740 0.000 0.000 0.260 224 N C -0.073 175.460 175.510 0.038 0.000 1.236 224 N CA -0.254 52.828 53.050 0.054 0.000 0.938 224 N CB 0.409 38.918 38.487 0.037 0.000 1.128 224 N HN 0.855 nan 8.380 nan 0.000 0.448 225 A N 1.710 124.542 122.820 0.019 0.000 2.322 225 A HA 0.407 4.727 4.320 0.000 0.000 0.269 225 A C -1.576 176.011 177.584 0.006 0.000 1.094 225 A CA -0.934 51.106 52.037 0.005 0.000 0.807 225 A CB -0.122 18.871 19.000 -0.012 0.000 1.047 225 A HN 0.584 nan 8.150 nan 0.000 0.487 226 P HA 0.477 nan 4.420 nan 0.000 0.302 226 P C 0.462 177.767 177.300 0.009 0.000 1.307 226 P CA 0.602 63.702 63.100 -0.000 0.000 0.754 226 P CB 0.194 31.892 31.700 -0.003 0.000 1.298 227 G N -0.461 108.344 108.800 0.008 0.000 2.333 227 G HA2 -0.205 3.755 3.960 0.000 0.000 0.296 227 G HA3 -0.205 3.755 3.960 0.000 0.000 0.296 227 G C 0.008 174.929 174.900 0.035 0.000 1.059 227 G CA -0.083 45.028 45.100 0.019 0.000 1.050 227 G HN 0.458 nan 8.290 nan 0.000 0.508 228 L N 0.221 121.462 121.223 0.031 0.000 2.525 228 L HA 0.372 4.712 4.340 0.000 0.000 0.278 228 L C 0.790 177.729 176.870 0.115 0.000 1.218 228 L CA 0.616 55.490 54.840 0.057 0.000 0.878 228 L CB 0.499 42.549 42.059 -0.016 0.000 1.127 228 L HN 0.280 nan 8.230 nan 0.000 0.492 229 T N 1.794 116.462 114.554 0.190 0.000 2.952 229 T HA 0.522 4.872 4.350 0.000 0.000 0.305 229 T C -0.325 174.538 174.700 0.271 0.000 1.064 229 T CA -0.628 61.588 62.100 0.194 0.000 1.008 229 T CB 1.824 70.755 68.868 0.107 0.000 1.078 229 T HN 0.663 nan 8.240 nan 0.000 0.459 230 A N 1.771 124.717 122.820 0.210 0.000 2.409 230 A HA 0.530 4.850 4.320 0.000 0.000 0.262 230 A C 1.351 178.906 177.584 -0.047 0.000 1.113 230 A CA 0.004 52.011 52.037 -0.051 0.000 0.790 230 A CB 0.001 18.937 19.000 -0.107 0.000 1.046 230 A HN 0.994 nan 8.150 nan 0.000 0.496 231 T N -0.368 114.136 114.554 -0.083 0.000 2.985 231 T HA 0.541 4.891 4.350 0.000 0.000 0.254 231 T C 0.801 175.529 174.700 0.046 0.000 1.021 231 T CA 0.747 62.876 62.100 0.048 0.000 0.957 231 T CB 0.089 69.050 68.868 0.155 0.000 1.047 231 T HN 2.021 nan 8.240 nan 0.000 0.511 232 G N 0.762 109.470 108.800 -0.152 0.000 2.336 232 G HA2 0.448 4.408 3.960 0.000 0.000 0.286 232 G HA3 0.448 4.408 3.960 0.000 0.000 0.286 232 G C -1.625 173.085 174.900 -0.317 0.000 1.269 232 G CA -0.147 44.791 45.100 -0.270 0.000 0.873 232 G HN 1.103 nan 8.290 nan 0.000 0.494 233 V N -2.367 117.359 119.914 -0.314 0.000 3.159 233 V HA 0.883 5.004 4.120 0.000 0.000 0.308 233 V C -0.718 175.284 176.094 -0.153 0.000 1.190 233 V CA -1.240 60.943 62.300 -0.196 0.000 1.037 233 V CB 1.863 33.629 31.823 -0.094 0.000 1.060 233 V HN 0.919 nan 8.190 nan 0.000 0.437 234 I N 3.280 123.804 120.570 -0.076 0.000 2.378 234 I HA 0.648 4.818 4.170 0.000 0.000 0.291 234 I C -0.872 175.277 176.117 0.053 0.000 0.992 234 I CA -0.624 60.640 61.300 -0.061 0.000 1.154 234 I CB 1.659 39.619 38.000 -0.065 0.000 1.315 234 I HN 0.926 nan 8.210 nan 0.000 0.448 235 Y N 4.220 124.501 120.300 -0.032 0.000 2.576 235 Y HA 0.779 5.329 4.550 0.000 0.000 0.346 235 Y C -0.859 175.036 175.900 -0.007 0.000 1.018 235 Y CA -1.321 56.758 58.100 -0.035 0.000 1.050 235 Y CB 1.239 39.657 38.460 -0.070 0.000 1.280 235 Y HN 0.435 nan 8.280 nan 0.000 0.474 236 R N 1.857 122.425 120.500 0.115 0.000 2.670 236 R HA 0.352 4.692 4.340 0.000 0.000 0.289 236 R C -1.331 175.019 176.300 0.084 0.000 0.965 236 R CA -0.697 55.436 56.100 0.056 0.000 0.899 236 R CB 1.288 31.620 30.300 0.052 0.000 1.173 236 R HN 1.007 nan 8.270 nan 0.000 0.456 237 D N 0.975 121.407 120.400 0.054 0.000 2.466 237 D HA 0.050 4.690 4.640 0.000 0.000 0.262 237 D C 0.799 177.145 176.300 0.076 0.000 1.177 237 D CA -0.463 53.578 54.000 0.069 0.000 1.035 237 D CB 0.797 41.639 40.800 0.070 0.000 1.105 237 D HN 0.418 nan 8.370 nan 0.000 0.551 238 S N -0.784 114.957 115.700 0.069 0.000 2.469 238 S HA -0.176 4.295 4.470 0.000 0.000 0.238 238 S C 1.005 175.624 174.600 0.032 0.000 0.998 238 S CA 0.477 58.691 58.200 0.024 0.000 0.957 238 S CB -0.585 62.602 63.200 -0.021 0.000 0.764 238 S HN 0.476 nan 8.310 nan 0.000 0.514 239 N N 1.307 120.042 118.700 0.060 0.000 2.398 239 N HA 0.182 4.922 4.740 0.000 0.000 0.188 239 N C 1.293 176.832 175.510 0.049 0.000 1.122 239 N CA 0.758 53.840 53.050 0.053 0.000 0.866 239 N CB 0.284 38.811 38.487 0.067 0.000 0.970 239 N HN 0.684 nan 8.380 nan 0.000 0.462 240 G N 0.308 109.139 108.800 0.053 0.000 2.159 240 G HA2 -0.266 3.695 3.960 0.000 0.000 0.256 240 G HA3 -0.266 3.695 3.960 0.000 0.000 0.256 240 G C 0.124 175.056 174.900 0.053 0.000 0.977 240 G CA 0.487 45.613 45.100 0.044 0.000 0.652 240 G HN 0.316 nan 8.290 nan 0.000 0.531 241 T N 3.823 118.428 114.554 0.085 0.000 2.794 241 T HA 0.517 4.867 4.350 0.000 0.000 0.296 241 T C -1.992 172.799 174.700 0.151 0.000 0.949 241 T CA -0.466 61.686 62.100 0.087 0.000 1.101 241 T CB 2.214 71.137 68.868 0.092 0.000 0.905 241 T HN 0.259 nan 8.240 nan 0.000 0.516 242 P HA 0.315 nan 4.420 nan 0.000 0.290 242 P C -0.844 176.437 177.300 -0.032 0.000 1.276 242 P CA -0.503 62.612 63.100 0.025 0.000 0.808 242 P CB 1.032 32.716 31.700 -0.027 0.000 0.966 243 H N 0.868 119.627 119.070 -0.518 0.000 2.834 243 H HA 0.431 4.987 4.556 0.000 0.000 0.369 243 H C -0.226 174.740 175.328 -0.603 0.000 1.174 243 H CA -0.836 54.834 56.048 -0.630 0.000 1.165 243 H CB 2.350 31.476 29.762 -1.059 0.000 1.820 243 H HN 0.421 nan 8.280 nan 0.000 0.558 244 Q N 0.557 120.257 119.800 -0.166 0.000 2.375 244 Q HA 0.643 4.983 4.340 0.000 0.000 0.271 244 Q C -1.413 174.580 176.000 -0.011 0.000 1.074 244 Q CA -1.063 54.642 55.803 -0.164 0.000 0.808 244 Q CB 3.222 31.869 28.738 -0.152 0.000 1.327 244 Q HN 0.658 nan 8.270 nan 0.000 0.441 245 A N 2.557 125.307 122.820 -0.117 0.000 2.335 245 A HA 0.763 5.083 4.320 0.000 0.000 0.304 245 A C -1.437 176.036 177.584 -0.184 0.000 1.118 245 A CA -0.418 51.674 52.037 0.093 0.000 0.757 245 A CB 0.479 19.594 19.000 0.192 0.000 1.188 245 A HN 0.576 nan 8.150 nan 0.000 0.460 246 F N 1.281 121.325 119.950 0.157 0.000 2.483 246 F HA 0.617 5.144 4.527 0.000 0.000 0.329 246 F C 0.547 176.391 175.800 0.073 0.000 1.064 246 F CA -0.745 57.298 58.000 0.072 0.000 0.986 246 F CB 2.144 41.161 39.000 0.030 0.000 1.218 246 F HN 0.480 nan 8.300 nan 0.000 0.484 247 V N -0.071 119.959 119.914 0.193 0.000 2.483 247 V HA 0.679 4.799 4.120 0.000 0.000 0.295 247 V C -0.140 175.965 176.094 0.019 0.000 1.035 247 V CA -1.183 61.151 62.300 0.057 0.000 0.896 247 V CB 1.347 33.141 31.823 -0.049 0.000 0.986 247 V HN 0.759 nan 8.190 nan 0.000 0.447 248 R N 1.944 122.419 120.500 -0.042 0.000 2.574 248 R HA 0.468 4.808 4.340 0.000 0.000 0.266 248 R C 0.656 176.899 176.300 -0.095 0.000 1.157 248 R CA -0.240 55.826 56.100 -0.056 0.000 1.187 248 R CB 0.453 30.721 30.300 -0.054 0.000 1.179 248 R HN 0.894 nan 8.270 nan 0.000 0.600 249 S N 0.616 116.273 115.700 -0.072 0.000 2.593 249 S HA -0.073 4.397 4.470 0.000 0.000 0.300 249 S C 0.070 174.601 174.600 -0.115 0.000 1.267 249 S CA 0.724 58.882 58.200 -0.071 0.000 1.065 249 S CB -0.056 63.118 63.200 -0.044 0.000 0.807 249 S HN 0.645 nan 8.310 nan 0.000 0.499 250 K N 0.862 121.197 120.400 -0.109 0.000 3.547 250 K HA -0.169 4.152 4.320 0.000 0.000 0.309 250 K C 0.700 177.151 176.600 -0.249 0.000 1.324 250 K CA 1.023 57.231 56.287 -0.132 0.000 0.988 250 K CB -2.188 30.246 32.500 -0.111 0.000 1.261 250 K HN 0.755 nan 8.250 nan 0.000 0.444 251 G N 0.904 109.498 108.800 -0.344 0.000 2.580 251 G HA2 0.464 4.424 3.960 0.000 0.000 0.278 251 G HA3 0.464 4.424 3.960 0.000 0.000 0.278 251 G C -0.492 174.163 174.900 -0.408 0.000 1.212 251 G CA -0.338 44.366 45.100 -0.660 0.000 0.939 251 G HN 0.197 nan 8.290 nan 0.000 0.513 252 E N -1.613 118.324 120.200 -0.438 0.000 2.413 252 E HA 0.410 4.760 4.350 0.000 0.000 0.277 252 E C -1.440 175.179 176.600 0.032 0.000 0.958 252 E CA -0.827 55.541 56.400 -0.053 0.000 0.779 252 E CB 2.727 32.503 29.700 0.126 0.000 1.278 252 E HN 0.227 nan 8.360 nan 0.000 0.456 253 V N 2.622 122.548 119.914 0.021 0.000 2.394 253 V HA 0.415 4.535 4.120 0.000 0.000 0.282 253 V C -0.341 175.773 176.094 0.033 0.000 1.031 253 V CA -0.345 61.958 62.300 0.005 0.000 0.881 253 V CB 0.799 32.588 31.823 -0.057 0.000 0.982 253 V HN 0.470 nan 8.190 nan 0.000 0.451 254 I N 5.181 125.770 120.570 0.031 0.000 2.436 254 I HA 0.435 4.605 4.170 0.000 0.000 0.289 254 I C -0.551 175.563 176.117 -0.005 0.000 1.010 254 I CA -0.850 60.462 61.300 0.020 0.000 1.098 254 I CB 2.158 40.164 38.000 0.011 0.000 1.266 254 I HN 0.245 nan 8.210 nan 0.000 0.434 255 V N 4.879 124.793 119.914 -0.001 0.000 2.383 255 V HA 0.279 4.400 4.120 0.000 0.000 0.275 255 V C 0.429 176.516 176.094 -0.013 0.000 1.036 255 V CA -0.092 62.204 62.300 -0.007 0.000 0.889 255 V CB 1.218 33.043 31.823 0.004 0.000 0.985 255 V HN 0.843 nan 8.190 nan 0.000 0.459 256 S N 2.943 118.631 115.700 -0.020 0.000 2.740 256 S HA 0.303 4.773 4.470 0.000 0.000 0.244 256 S C 1.153 175.747 174.600 -0.011 0.000 1.101 256 S CA 0.287 58.473 58.200 -0.024 0.000 1.123 256 S CB 1.047 64.227 63.200 -0.033 0.000 1.012 256 S HN 0.897 nan 8.310 nan 0.000 0.491 257 A N 1.347 124.165 122.820 -0.003 0.000 2.259 257 A HA 0.617 4.937 4.320 0.000 0.000 0.208 257 A C 1.262 178.863 177.584 0.027 0.000 1.201 257 A CA 0.408 52.450 52.037 0.010 0.000 0.824 257 A CB -0.708 18.296 19.000 0.007 0.000 0.838 257 A HN 1.083 nan 8.150 nan 0.000 0.485 258 G N -2.086 106.728 108.800 0.024 0.000 2.756 258 G HA2 -0.151 3.810 3.960 0.000 0.000 0.678 258 G HA3 -0.151 3.810 3.960 0.000 0.000 0.678 258 G C 0.525 175.471 174.900 0.077 0.000 1.349 258 G CA -0.172 44.960 45.100 0.053 0.000 0.847 258 G HN 0.423 nan 8.290 nan 0.000 0.548 259 T N 0.349 114.992 114.554 0.149 0.000 2.737 259 T HA -0.141 4.209 4.350 0.000 0.000 0.269 259 T C 2.409 177.183 174.700 0.122 0.000 1.040 259 T CA 1.915 64.132 62.100 0.195 0.000 1.142 259 T CB -0.150 68.963 68.868 0.409 0.000 0.861 259 T HN 0.442 nan 8.240 nan 0.000 0.456 260 I N 0.724 121.345 120.570 0.085 0.000 2.429 260 I HA 0.134 4.305 4.170 0.000 0.000 0.247 260 I C 2.904 178.999 176.117 -0.037 0.000 1.099 260 I CA 1.055 62.325 61.300 -0.051 0.000 1.422 260 I CB -1.789 36.096 38.000 -0.191 0.000 1.112 260 I HN 0.280 nan 8.210 nan 0.000 0.430 261 G N 0.508 109.307 108.800 -0.002 0.000 2.408 261 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 261 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 261 G C 1.675 176.578 174.900 0.005 0.000 1.150 261 G CA 1.230 46.329 45.100 -0.001 0.000 0.776 261 G HN 0.294 nan 8.290 nan 0.000 0.542 262 T N 1.930 116.492 114.554 0.013 0.000 2.701 262 T HA -0.052 4.298 4.350 0.000 0.000 0.263 262 T C 0.204 174.910 174.700 0.010 0.000 1.040 262 T CA 1.536 63.643 62.100 0.012 0.000 1.147 262 T CB -0.828 68.048 68.868 0.013 0.000 0.865 262 T HN 0.230 nan 8.240 nan 0.000 0.426 263 P HA -0.089 nan 4.420 nan 0.000 0.217 263 P C 1.620 178.922 177.300 0.004 0.000 1.150 263 P CA 1.041 64.141 63.100 0.000 0.000 0.832 263 P CB -0.079 31.615 31.700 -0.009 0.000 0.787 264 Q N -0.431 119.367 119.800 -0.003 0.000 2.061 264 Q HA -0.206 4.134 4.340 0.000 0.000 0.204 264 Q C 1.998 178.012 176.000 0.024 0.000 0.984 264 Q CA 1.451 57.257 55.803 0.005 0.000 0.846 264 Q CB -0.755 27.974 28.738 -0.014 0.000 0.902 264 Q HN 0.094 nan 8.270 nan 0.000 0.421 265 L N 0.629 121.865 121.223 0.022 0.000 2.046 265 L HA -0.138 4.203 4.340 0.000 0.000 0.208 265 L C 2.113 179.016 176.870 0.056 0.000 1.077 265 L CA 1.492 56.352 54.840 0.033 0.000 0.747 265 L CB -0.457 41.616 42.059 0.023 0.000 0.896 265 L HN 0.319 nan 8.230 nan 0.000 0.432 266 L N -1.385 119.869 121.223 0.052 0.000 2.017 266 L HA -0.251 4.089 4.340 0.000 0.000 0.208 266 L C 2.510 179.427 176.870 0.078 0.000 1.073 266 L CA 1.390 56.273 54.840 0.071 0.000 0.745 266 L CB -0.565 41.511 42.059 0.027 0.000 0.894 266 L HN 0.298 nan 8.230 nan 0.000 0.432 267 L N -0.601 120.663 121.223 0.069 0.000 2.017 267 L HA -0.249 4.091 4.340 0.000 0.000 0.208 267 L C 2.489 179.413 176.870 0.090 0.000 1.073 267 L CA 1.244 56.143 54.840 0.099 0.000 0.745 267 L CB -0.495 41.645 42.059 0.135 0.000 0.894 267 L HN 0.260 nan 8.230 nan 0.000 0.432 268 L N -0.893 120.375 121.223 0.074 0.000 2.265 268 L HA -0.161 4.179 4.340 0.000 0.000 0.215 268 L C 2.163 179.078 176.870 0.075 0.000 1.117 268 L CA 0.781 55.657 54.840 0.060 0.000 0.782 268 L CB -0.307 41.779 42.059 0.046 0.000 0.914 268 L HN 0.188 nan 8.230 nan 0.000 0.441 269 S N -0.646 115.120 115.700 0.110 0.000 2.575 269 S HA 0.204 4.674 4.470 0.000 0.000 0.215 269 S C 1.363 176.075 174.600 0.187 0.000 0.966 269 S CA 0.607 58.918 58.200 0.185 0.000 0.911 269 S CB 0.572 63.938 63.200 0.276 0.000 0.780 269 S HN 0.624 nan 8.310 nan 0.000 0.514 270 G N 0.945 109.803 108.800 0.096 0.000 2.132 270 G HA2 -0.222 3.738 3.960 0.000 0.000 0.234 270 G HA3 -0.222 3.738 3.960 0.000 0.000 0.234 270 G C -0.046 174.850 174.900 -0.006 0.000 0.989 270 G CA -0.086 45.037 45.100 0.037 0.000 0.676 270 G HN 0.419 nan 8.290 nan 0.000 0.522 271 V N 0.755 120.682 119.914 0.021 0.000 2.293 271 V HA 0.828 4.948 4.120 0.000 0.000 0.275 271 V C 0.785 176.910 176.094 0.051 0.000 1.021 271 V CA 0.535 62.839 62.300 0.005 0.000 0.815 271 V CB 0.631 32.440 31.823 -0.022 0.000 1.025 271 V HN 1.447 nan 8.190 nan 0.000 0.448 272 G N 5.793 114.643 108.800 0.083 0.000 2.325 272 G HA2 0.413 4.373 3.960 0.000 0.000 0.295 272 G HA3 0.413 4.373 3.960 0.000 0.000 0.295 272 G C -3.508 171.437 174.900 0.076 0.000 1.274 272 G CA -0.899 44.256 45.100 0.092 0.000 0.857 272 G HN 0.352 nan 8.290 nan 0.000 0.499 273 P HA 0.125 nan 4.420 nan 0.000 0.263 273 P C 0.741 178.079 177.300 0.063 0.000 1.195 273 P CA 0.065 63.181 63.100 0.026 0.000 0.762 273 P CB 1.097 32.803 31.700 0.011 0.000 0.799 274 E N 3.336 123.543 120.200 0.011 0.000 2.049 274 E HA -0.226 4.124 4.350 0.000 0.000 0.198 274 E C 1.622 178.230 176.600 0.013 0.000 1.007 274 E CA 2.600 59.002 56.400 0.002 0.000 0.809 274 E CB -0.433 29.254 29.700 -0.022 0.000 0.749 274 E HN 0.486 nan 8.360 nan 0.000 0.450 275 S N -0.461 115.251 115.700 0.020 0.000 2.402 275 S HA -0.184 4.286 4.470 0.000 0.000 0.229 275 S C 2.171 176.797 174.600 0.044 0.000 1.021 275 S CA 1.167 59.380 58.200 0.021 0.000 0.974 275 S CB -0.828 62.383 63.200 0.019 0.000 0.800 275 S HN 0.429 nan 8.310 nan 0.000 0.484 276 Y N 2.532 122.810 120.300 -0.037 0.000 2.133 276 Y HA 0.064 4.614 4.550 0.000 0.000 0.287 276 Y C 2.018 177.902 175.900 -0.026 0.000 1.134 276 Y CA 1.298 59.379 58.100 -0.033 0.000 1.133 276 Y CB -0.548 37.889 38.460 -0.038 0.000 0.987 276 Y HN 0.198 nan 8.280 nan 0.000 0.502 277 L N -0.854 120.320 121.223 -0.081 0.000 2.046 277 L HA -0.242 4.098 4.340 0.000 0.000 0.208 277 L C 2.494 179.269 176.870 -0.159 0.000 1.077 277 L CA 1.643 56.388 54.840 -0.159 0.000 0.747 277 L CB -0.796 41.253 42.059 -0.017 0.000 0.896 277 L HN 0.143 nan 8.230 nan 0.000 0.432 278 S N -0.256 115.386 115.700 -0.096 0.000 2.399 278 S HA -0.161 4.310 4.470 0.000 0.000 0.231 278 S C 2.172 176.711 174.600 -0.101 0.000 1.022 278 S CA 1.422 59.575 58.200 -0.078 0.000 0.983 278 S CB -0.247 62.924 63.200 -0.047 0.000 0.803 278 S HN 0.629 nan 8.310 nan 0.000 0.480 279 S N 1.511 117.132 115.700 -0.132 0.000 2.442 279 S HA 0.055 4.525 4.470 0.000 0.000 0.236 279 S C 1.387 175.891 174.600 -0.159 0.000 1.007 279 S CA 0.756 58.879 58.200 -0.128 0.000 0.965 279 S CB -0.440 62.686 63.200 -0.122 0.000 0.773 279 S HN 0.487 nan 8.310 nan 0.000 0.504 280 L N 0.805 121.893 121.223 -0.226 0.000 2.640 280 L HA 0.373 4.713 4.340 0.000 0.000 0.230 280 L C 0.168 176.962 176.870 -0.127 0.000 1.123 280 L CA -0.117 54.604 54.840 -0.199 0.000 0.900 280 L CB -0.811 41.068 42.059 -0.300 0.000 1.146 280 L HN 0.327 nan 8.230 nan 0.000 0.484 281 N N 0.342 118.979 118.700 -0.105 0.000 2.776 281 N HA -0.177 4.563 4.740 0.000 0.000 0.250 281 N C -0.158 175.318 175.510 -0.057 0.000 1.112 281 N CA 0.072 53.081 53.050 -0.067 0.000 0.733 281 N CB -0.991 37.465 38.487 -0.051 0.000 1.097 281 N HN 0.276 nan 8.380 nan 0.000 0.558 282 I N 1.196 121.722 120.570 -0.072 0.000 2.325 282 I HA 0.256 4.427 4.170 0.000 0.000 0.291 282 I C -1.982 174.117 176.117 -0.029 0.000 1.019 282 I CA -1.822 59.451 61.300 -0.045 0.000 1.302 282 I CB 0.895 38.864 38.000 -0.051 0.000 1.401 282 I HN -0.229 nan 8.210 nan 0.000 0.485 283 P HA -0.012 nan 4.420 nan 0.000 0.264 283 P C -0.617 176.677 177.300 -0.009 0.000 1.183 283 P CA -0.066 63.030 63.100 -0.007 0.000 0.763 283 P CB 0.418 32.123 31.700 0.009 0.000 0.807 284 V N 5.150 125.052 119.914 -0.020 0.000 2.408 284 V HA -0.002 4.118 4.120 0.000 0.000 0.267 284 V C 1.495 177.557 176.094 -0.053 0.000 1.047 284 V CA 0.142 62.424 62.300 -0.030 0.000 0.937 284 V CB 1.141 32.947 31.823 -0.030 0.000 0.999 284 V HN 0.401 nan 8.190 nan 0.000 0.472 285 V N 5.424 125.282 119.914 -0.093 0.000 2.379 285 V HA 0.161 4.281 4.120 0.000 0.000 0.243 285 V C 0.302 176.294 176.094 -0.171 0.000 1.035 285 V CA 1.084 63.277 62.300 -0.178 0.000 1.035 285 V CB 0.160 31.736 31.823 -0.411 0.000 0.673 285 V HN 0.626 nan 8.190 nan 0.000 0.457 286 L N -0.863 120.278 121.223 -0.138 0.000 2.588 286 L HA 0.471 4.811 4.340 0.000 0.000 0.263 286 L C -0.402 176.444 176.870 -0.039 0.000 0.935 286 L CA -0.100 54.686 54.840 -0.090 0.000 0.891 286 L CB 1.885 43.895 42.059 -0.082 0.000 1.318 286 L HN -0.042 nan 8.230 nan 0.000 0.409 287 S N 3.950 119.610 115.700 -0.067 0.000 2.481 287 S HA 0.271 4.741 4.470 0.000 0.000 0.282 287 S C -0.567 173.970 174.600 -0.105 0.000 1.243 287 S CA 0.114 58.277 58.200 -0.061 0.000 1.078 287 S CB -0.268 62.885 63.200 -0.079 0.000 0.916 287 S HN 0.625 nan 8.310 nan 0.000 0.495 288 H N 6.917 125.943 119.070 -0.072 0.000 2.854 288 H HA 0.274 4.830 4.556 0.000 0.000 0.275 288 H C -1.871 173.384 175.328 -0.122 0.000 1.198 288 H CA -1.658 54.347 56.048 -0.072 0.000 1.489 288 H CB 1.818 31.560 29.762 -0.034 0.000 1.519 288 H HN 0.521 nan 8.280 nan 0.000 0.503 289 P HA -0.186 nan 4.420 nan 0.000 0.217 289 P C 0.600 177.656 177.300 -0.406 0.000 1.148 289 P CA 1.409 64.280 63.100 -0.381 0.000 0.828 289 P CB 0.101 31.405 31.700 -0.661 0.000 0.783 290 Y N -1.095 119.262 120.300 0.096 0.000 2.485 290 Y HA 0.167 4.717 4.550 0.000 0.000 0.260 290 Y C 1.133 177.051 175.900 0.031 0.000 1.173 290 Y CA -0.804 57.338 58.100 0.071 0.000 1.252 290 Y CB 0.187 38.769 38.460 0.204 0.000 1.123 290 Y HN -0.327 nan 8.280 nan 0.000 0.524 291 V N 1.231 121.209 119.914 0.106 0.000 2.485 291 V HA 0.198 4.318 4.120 0.000 0.000 0.287 291 V C 1.165 177.249 176.094 -0.017 0.000 1.022 291 V CA 1.195 63.515 62.300 0.034 0.000 1.067 291 V CB 0.260 32.084 31.823 0.001 0.000 0.967 291 V HN 0.729 nan 8.190 nan 0.000 0.479 292 G N 3.708 112.499 108.800 -0.014 0.000 2.176 292 G HA2 -0.177 3.783 3.960 0.000 0.000 0.253 292 G HA3 -0.177 3.783 3.960 0.000 0.000 0.253 292 G C 0.154 174.997 174.900 -0.094 0.000 0.979 292 G CA -0.144 44.916 45.100 -0.065 0.000 0.641 292 G HN 0.575 nan 8.290 nan 0.000 0.530 293 Q N -1.089 118.664 119.800 -0.077 0.000 2.205 293 Q HA 0.675 5.015 4.340 0.000 0.000 0.249 293 Q C 0.793 176.686 176.000 -0.179 0.000 0.948 293 Q CA -0.826 54.818 55.803 -0.264 0.000 0.895 293 Q CB 0.371 28.856 28.738 -0.422 0.000 1.249 293 Q HN 0.715 nan 8.270 nan 0.000 0.458 294 F N -0.487 119.430 119.950 -0.054 0.000 2.985 294 F HA -0.252 4.275 4.527 0.000 0.000 0.303 294 F C -0.408 175.424 175.800 0.053 0.000 0.976 294 F CA -0.354 57.534 58.000 -0.187 0.000 1.013 294 F CB -1.524 37.325 39.000 -0.253 0.000 1.060 294 F HN 0.292 nan 8.300 nan 0.000 0.780 295 L N 2.055 123.375 121.223 0.162 0.000 2.265 295 L HA 0.419 4.759 4.340 0.000 0.000 0.288 295 L C 0.468 177.494 176.870 0.260 0.000 1.058 295 L CA 0.074 55.059 54.840 0.243 0.000 0.809 295 L CB 0.541 42.693 42.059 0.155 0.000 1.179 295 L HN 0.156 nan 8.230 nan 0.000 0.429 296 H N 2.055 121.180 119.070 0.091 0.000 2.524 296 H HA 0.391 4.947 4.556 0.000 0.000 0.353 296 H C -1.214 173.944 175.328 -0.283 0.000 1.136 296 H CA -0.809 55.198 56.048 -0.068 0.000 1.193 296 H CB 2.468 32.073 29.762 -0.262 0.000 1.558 296 H HN 0.402 nan 8.280 nan 0.000 0.515 297 D N 2.054 122.321 120.400 -0.221 0.000 2.575 297 D HA 0.122 4.762 4.640 0.000 0.000 0.250 297 D C -0.995 175.287 176.300 -0.030 0.000 1.279 297 D CA -0.643 53.139 54.000 -0.364 0.000 0.925 297 D CB 0.707 40.733 40.800 -1.291 0.000 1.261 297 D HN 0.416 nan 8.370 nan 0.000 0.567 298 N N 4.543 123.327 118.700 0.140 0.000 2.447 298 N HA 0.187 4.927 4.740 0.000 0.000 0.263 298 N C -2.239 173.348 175.510 0.128 0.000 1.226 298 N CA -0.493 52.644 53.050 0.144 0.000 0.906 298 N CB 0.558 39.122 38.487 0.127 0.000 1.060 298 N HN 0.304 nan 8.380 nan 0.000 0.468 299 P HA 0.105 nan 4.420 nan 0.000 0.275 299 P C -0.836 176.518 177.300 0.090 0.000 1.228 299 P CA -0.273 62.853 63.100 0.043 0.000 0.786 299 P CB 0.949 32.566 31.700 -0.138 0.000 0.927 300 R N 2.434 122.973 120.500 0.064 0.000 2.437 300 R HA 0.435 4.776 4.340 0.000 0.000 0.310 300 R C -0.950 175.458 176.300 0.180 0.000 0.955 300 R CA -0.518 55.694 56.100 0.186 0.000 0.851 300 R CB 0.633 30.928 30.300 -0.009 0.000 1.161 300 R HN 0.417 nan 8.270 nan 0.000 0.446 301 N N 3.125 121.959 118.700 0.223 0.000 2.292 301 N HA 0.576 5.316 4.740 0.000 0.000 0.303 301 N C -1.494 174.151 175.510 0.225 0.000 1.140 301 N CA -0.366 52.749 53.050 0.109 0.000 0.788 301 N CB 1.517 40.072 38.487 0.114 0.000 1.361 301 N HN 0.452 nan 8.380 nan 0.000 0.489 302 F N -1.151 118.886 119.950 0.144 0.000 2.831 302 F HA 0.699 5.227 4.527 0.000 0.000 0.318 302 F C -1.914 174.016 175.800 0.217 0.000 1.174 302 F CA -1.083 56.967 58.000 0.083 0.000 0.918 302 F CB 1.190 40.074 39.000 -0.193 0.000 1.364 302 F HN 0.082 nan 8.300 nan 0.000 0.475 303 I N 2.454 123.276 120.570 0.420 0.000 2.571 303 I HA 0.297 4.467 4.170 0.000 0.000 0.289 303 I C -1.554 174.865 176.117 0.502 0.000 1.115 303 I CA -0.758 60.759 61.300 0.363 0.000 1.045 303 I CB 1.858 39.932 38.000 0.124 0.000 1.238 303 I HN 0.619 nan 8.210 nan 0.000 0.424 304 N N 7.198 126.223 118.700 0.542 0.000 2.425 304 N HA 0.550 5.290 4.740 0.000 0.000 0.268 304 N C -0.435 175.309 175.510 0.390 0.000 0.991 304 N CA -0.337 53.062 53.050 0.581 0.000 0.931 304 N CB 2.519 41.379 38.487 0.621 0.000 1.130 304 N HN 0.569 nan 8.380 nan 0.000 0.493 305 I N -1.205 119.598 120.570 0.388 0.000 2.493 305 I HA 0.535 4.706 4.170 0.000 0.000 0.298 305 I C -0.788 175.501 176.117 0.287 0.000 0.998 305 I CA -0.956 60.516 61.300 0.287 0.000 1.137 305 I CB 1.447 39.587 38.000 0.234 0.000 1.310 305 I HN 0.175 nan 8.210 nan 0.000 0.445 306 L N 6.170 127.542 121.223 0.248 0.000 2.335 306 L HA 0.502 4.842 4.340 0.000 0.000 0.268 306 L C -2.349 174.639 176.870 0.198 0.000 1.037 306 L CA -1.650 53.306 54.840 0.193 0.000 0.895 306 L CB 0.896 43.034 42.059 0.131 0.000 1.266 306 L HN 0.399 nan 8.230 nan 0.000 0.439 307 P HA 0.039 nan 4.420 nan 0.000 0.265 307 P C -1.735 175.660 177.300 0.158 0.000 1.193 307 P CA -0.892 62.358 63.100 0.249 0.000 0.765 307 P CB 0.288 32.166 31.700 0.296 0.000 0.823 308 P HA -0.126 nan 4.420 nan 0.000 0.219 308 P C -0.194 177.143 177.300 0.063 0.000 1.150 308 P CA 1.492 64.635 63.100 0.073 0.000 0.814 308 P CB 0.349 32.075 31.700 0.043 0.000 0.787 309 N N 0.850 119.599 118.700 0.081 0.000 2.424 309 N HA 0.295 5.035 4.740 0.000 0.000 0.271 309 N C -2.558 173.016 175.510 0.107 0.000 0.985 309 N CA -1.723 51.371 53.050 0.073 0.000 0.921 309 N CB 0.711 39.228 38.487 0.050 0.000 1.149 309 N HN -0.014 nan 8.380 nan 0.000 0.492 310 P HA -0.024 nan 4.420 nan 0.000 0.263 310 P C -0.190 177.138 177.300 0.047 0.000 1.168 310 P CA 0.410 63.533 63.100 0.039 0.000 0.759 310 P CB 0.437 32.150 31.700 0.022 0.000 0.782 311 I N -0.909 119.638 120.570 -0.038 0.000 2.797 311 I HA 0.613 4.783 4.170 0.000 0.000 0.307 311 I C 0.128 176.167 176.117 -0.130 0.000 1.033 311 I CA -1.348 59.905 61.300 -0.079 0.000 1.071 311 I CB 2.149 39.952 38.000 -0.329 0.000 1.255 311 I HN 0.183 nan 8.210 nan 0.000 0.445 312 E N 4.448 124.600 120.200 -0.080 0.000 2.283 312 E HA 0.477 4.827 4.350 0.000 0.000 0.271 312 E C -2.810 173.690 176.600 -0.166 0.000 1.031 312 E CA -2.378 53.969 56.400 -0.089 0.000 0.868 312 E CB 0.861 30.550 29.700 -0.019 0.000 1.094 312 E HN 0.426 nan 8.360 nan 0.000 0.401 313 P HA 0.072 nan 4.420 nan 0.000 0.271 313 P C -0.428 176.776 177.300 -0.160 0.000 1.216 313 P CA 0.075 63.023 63.100 -0.253 0.000 0.776 313 P CB 0.628 32.211 31.700 -0.196 0.000 0.881 314 T N -0.242 114.202 114.554 -0.183 0.000 2.864 314 T HA 0.696 5.047 4.350 0.000 0.000 0.299 314 T C 0.186 174.931 174.700 0.076 0.000 1.166 314 T CA -0.992 61.096 62.100 -0.021 0.000 1.007 314 T CB 1.053 69.971 68.868 0.083 0.000 1.219 314 T HN 0.415 nan 8.240 nan 0.000 0.506 315 I N -0.344 120.293 120.570 0.113 0.000 2.428 315 I HA 0.739 4.910 4.170 0.000 0.000 0.296 315 I C -0.225 176.031 176.117 0.231 0.000 0.985 315 I CA -1.465 59.942 61.300 0.178 0.000 1.260 315 I CB 1.311 39.363 38.000 0.086 0.000 1.389 315 I HN 0.395 nan 8.210 nan 0.000 0.484 316 V N 4.949 125.023 119.914 0.267 0.000 2.529 316 V HA 0.089 4.209 4.120 0.000 0.000 0.292 316 V C 1.271 177.466 176.094 0.168 0.000 1.028 316 V CA 1.056 63.498 62.300 0.236 0.000 1.074 316 V CB 0.495 32.452 31.823 0.223 0.000 0.958 316 V HN 1.099 nan 8.190 nan 0.000 0.481 317 T N 1.031 115.683 114.554 0.163 0.000 3.051 317 T HA 0.163 4.514 4.350 0.000 0.000 0.254 317 T C 0.136 174.918 174.700 0.137 0.000 0.916 317 T CA -0.052 62.135 62.100 0.145 0.000 0.894 317 T CB 0.267 69.230 68.868 0.158 0.000 1.251 317 T HN 0.231 nan 8.240 nan 0.000 0.517 318 V N 3.455 123.466 119.914 0.161 0.000 2.406 318 V HA 0.537 4.657 4.120 0.000 0.000 0.272 318 V C -0.413 175.801 176.094 0.200 0.000 1.043 318 V CA -0.651 61.756 62.300 0.177 0.000 0.915 318 V CB 1.020 32.970 31.823 0.212 0.000 0.988 318 V HN 0.415 nan 8.190 nan 0.000 0.466 319 L N 4.439 125.705 121.223 0.072 0.000 2.346 319 L HA 0.752 5.092 4.340 0.000 0.000 0.276 319 L C 0.554 177.208 176.870 -0.360 0.000 1.006 319 L CA -0.544 54.281 54.840 -0.025 0.000 0.817 319 L CB 1.965 44.019 42.059 -0.010 0.000 1.272 319 L HN 0.701 nan 8.230 nan 0.000 0.421 320 G N 4.279 112.624 108.800 -0.758 0.000 2.603 320 G HA2 0.547 4.508 3.960 0.000 0.000 0.324 320 G HA3 0.547 4.508 3.960 0.000 0.000 0.324 320 G C -0.480 174.167 174.900 -0.422 0.000 1.178 320 G CA -0.276 44.108 45.100 -1.192 0.000 1.023 320 G HN 0.259 nan 8.290 nan 0.000 0.482 321 I N 1.930 122.330 120.570 -0.284 0.000 2.315 321 I HA 0.385 4.556 4.170 0.000 0.000 0.291 321 I C 0.325 176.316 176.117 -0.211 0.000 1.006 321 I CA -0.353 60.842 61.300 -0.176 0.000 1.265 321 I CB 1.011 38.808 38.000 -0.338 0.000 1.387 321 I HN 0.189 nan 8.210 nan 0.000 0.475 322 S N 5.022 120.554 115.700 -0.280 0.000 2.689 322 S HA 0.412 4.883 4.470 0.000 0.000 0.306 322 S C 1.138 175.486 174.600 -0.420 0.000 1.104 322 S CA -0.701 57.188 58.200 -0.519 0.000 0.973 322 S CB 1.744 64.214 63.200 -1.217 0.000 1.121 322 S HN 0.524 nan 8.310 nan 0.000 0.523 323 N N 1.468 119.930 118.700 -0.396 0.000 2.244 323 N HA -0.084 4.656 4.740 0.000 0.000 0.183 323 N C 0.241 175.530 175.510 -0.368 0.000 1.016 323 N CA 1.229 54.120 53.050 -0.266 0.000 0.866 323 N CB -0.072 38.283 38.487 -0.221 0.000 0.980 323 N HN 0.548 nan 8.380 nan 0.000 0.430 324 D N -0.626 119.402 120.400 -0.621 0.000 2.379 324 D HA 0.095 4.735 4.640 0.000 0.000 0.208 324 D C -0.024 175.956 176.300 -0.534 0.000 1.065 324 D CA 0.153 53.730 54.000 -0.705 0.000 0.848 324 D CB 0.475 40.703 40.800 -0.953 0.000 0.949 324 D HN 0.234 nan 8.370 nan 0.000 0.509 325 F N -0.848 118.789 119.950 -0.521 0.000 2.678 325 F HA 0.517 5.044 4.527 0.000 0.000 0.308 325 F C -1.710 173.812 175.800 -0.462 0.000 1.118 325 F CA -1.753 55.904 58.000 -0.571 0.000 0.959 325 F CB 0.492 39.358 39.000 -0.223 0.000 1.305 325 F HN -0.309 nan 8.300 nan 0.000 0.443 326 Y N 0.934 121.328 120.300 0.156 0.000 2.409 326 Y HA 0.693 5.243 4.550 0.000 0.000 0.343 326 Y C -0.387 175.619 175.900 0.178 0.000 0.973 326 Y CA -1.018 57.126 58.100 0.073 0.000 1.064 326 Y CB 2.140 40.588 38.460 -0.020 0.000 1.207 326 Y HN 0.599 nan 8.280 nan 0.000 0.452 327 Q N 2.626 122.644 119.800 0.364 0.000 2.451 327 Q HA 0.819 5.159 4.340 0.000 0.000 0.281 327 Q C -1.090 175.238 176.000 0.546 0.000 1.099 327 Q CA -1.005 55.084 55.803 0.476 0.000 0.806 327 Q CB 3.055 32.166 28.738 0.622 0.000 1.419 327 Q HN 0.920 nan 8.270 nan 0.000 0.427 328 C N -1.877 117.808 119.300 0.642 0.000 3.259 328 C HA 0.866 5.327 4.460 0.000 0.000 0.344 328 C C -1.085 174.157 174.990 0.420 0.000 1.401 328 C CA -0.804 58.566 59.018 0.586 0.000 1.219 328 C CB 1.454 29.483 27.740 0.482 0.000 1.521 328 C HN 0.795 nan 8.230 nan 0.000 0.455 329 S N 0.040 115.911 115.700 0.285 0.000 2.547 329 S HA 0.805 5.276 4.470 0.000 0.000 0.281 329 S C -1.634 173.150 174.600 0.306 0.000 1.118 329 S CA -0.216 58.035 58.200 0.086 0.000 0.947 329 S CB 1.286 64.288 63.200 -0.330 0.000 1.053 329 S HN 1.362 nan 8.310 nan 0.000 0.482 330 F N 4.274 124.304 119.950 0.132 0.000 2.493 330 F HA 0.690 5.218 4.527 0.000 0.000 0.329 330 F C -0.245 175.501 175.800 -0.091 0.000 1.126 330 F CA -0.620 57.454 58.000 0.123 0.000 0.937 330 F CB 1.829 40.972 39.000 0.239 0.000 1.146 330 F HN 0.543 nan 8.300 nan 0.000 0.442 331 S N 3.954 119.201 115.700 -0.755 0.000 2.472 331 S HA 0.822 5.292 4.470 0.000 0.000 0.303 331 S C -0.595 173.257 174.600 -1.247 0.000 1.099 331 S CA -0.550 57.035 58.200 -1.025 0.000 1.077 331 S CB 1.663 64.297 63.200 -0.944 0.000 1.031 331 S HN 0.817 nan 8.310 nan 0.000 0.487 332 S N 2.053 117.031 115.700 -1.203 0.000 2.638 332 S HA 0.647 5.117 4.470 0.000 0.000 0.274 332 S C -0.841 173.501 174.600 -0.431 0.000 1.157 332 S CA -0.963 56.735 58.200 -0.835 0.000 0.826 332 S CB 0.735 63.455 63.200 -0.799 0.000 1.139 332 S HN 0.766 nan 8.310 nan 0.000 0.474 333 L N 3.010 124.150 121.223 -0.139 0.000 2.456 333 L HA 0.479 4.819 4.340 0.000 0.000 0.257 333 L C -1.747 175.200 176.870 0.130 0.000 1.162 333 L CA -1.943 52.896 54.840 -0.002 0.000 0.808 333 L CB 0.498 42.575 42.059 0.031 0.000 1.136 333 L HN 0.567 nan 8.230 nan 0.000 0.466 334 P HA 0.275 nan 4.420 nan 0.000 0.274 334 P C -1.278 176.035 177.300 0.022 0.000 1.256 334 P CA -0.012 63.050 63.100 -0.064 0.000 0.795 334 P CB 0.925 32.598 31.700 -0.046 0.000 1.038 335 F N -3.578 116.416 119.950 0.073 0.000 2.719 335 F HA 0.464 4.991 4.527 0.000 0.000 0.309 335 F C 0.414 176.240 175.800 0.044 0.000 1.138 335 F CA -0.764 57.267 58.000 0.051 0.000 0.943 335 F CB 0.109 39.135 39.000 0.042 0.000 1.304 335 F HN 0.289 nan 8.300 nan 0.000 0.445 336 T N -3.237 111.520 114.554 0.340 0.000 2.990 336 T HA 0.221 4.571 4.350 0.000 0.000 0.250 336 T C 0.422 175.266 174.700 0.241 0.000 1.041 336 T CA 0.464 62.703 62.100 0.232 0.000 1.010 336 T CB -0.104 68.839 68.868 0.126 0.000 1.003 336 T HN 0.624 nan 8.240 nan 0.000 0.499 337 T N 5.404 120.083 114.554 0.208 0.000 2.749 337 T HA 0.452 4.802 4.350 0.000 0.000 0.287 337 T C -2.744 171.917 174.700 -0.065 0.000 0.970 337 T CA -1.355 60.782 62.100 0.061 0.000 0.980 337 T CB 1.614 70.464 68.868 -0.029 0.000 0.924 337 T HN 0.176 nan 8.240 nan 0.000 0.456 338 P HA 0.258 nan 4.420 nan 0.000 0.276 338 P C -2.833 174.305 177.300 -0.270 0.000 1.230 338 P CA -1.909 61.136 63.100 -0.092 0.000 0.776 338 P CB 0.276 32.088 31.700 0.186 0.000 0.888 339 P HA 0.162 nan 4.420 nan 0.000 0.280 339 P C -0.288 176.897 177.300 -0.191 0.000 1.300 339 P CA -0.394 62.452 63.100 -0.423 0.000 0.785 339 P CB 0.099 31.409 31.700 -0.650 0.000 0.874 340 F N 3.765 123.581 119.950 -0.223 0.000 2.608 340 F HA 0.249 4.777 4.527 0.000 0.000 0.380 340 F C 1.638 177.372 175.800 -0.110 0.000 1.083 340 F CA 2.338 60.260 58.000 -0.130 0.000 1.266 340 F CB 0.039 38.963 39.000 -0.126 0.000 1.076 340 F HN 0.741 nan 8.300 nan 0.000 0.574 341 G N 4.706 113.183 108.800 -0.538 0.000 2.241 341 G HA2 -0.397 3.564 3.960 0.000 0.000 0.244 341 G HA3 -0.397 3.564 3.960 0.000 0.000 0.244 341 G C 0.876 175.865 174.900 0.148 0.000 0.998 341 G CA 0.346 45.349 45.100 -0.161 0.000 0.621 341 G HN 0.679 nan 8.290 nan 0.000 0.519 342 F N 1.006 120.857 119.950 -0.165 0.000 2.113 342 F HA 0.419 4.947 4.527 0.001 0.000 0.297 342 F C 1.156 176.600 175.800 -0.594 0.000 1.103 342 F CA 1.107 58.925 58.000 -0.303 0.000 1.248 342 F CB -0.048 38.542 39.000 -0.684 0.000 0.999 342 F HN 0.144 nan 8.300 nan 0.000 0.475 343 F N 0.716 120.544 119.950 -0.204 0.000 2.458 343 F HA 0.296 4.823 4.527 0.000 0.000 0.330 343 F C -1.068 174.556 175.800 -0.294 0.000 1.082 343 F CA -2.286 55.451 58.000 -0.438 0.000 0.995 343 F CB 0.783 39.405 39.000 -0.630 0.000 1.170 343 F HN -0.257 nan 8.300 nan 0.000 0.478 344 P HA -0.110 nan 4.420 nan 0.000 0.221 344 P C -0.091 177.170 177.300 -0.066 0.000 1.145 344 P CA 1.088 64.151 63.100 -0.061 0.000 0.795 344 P CB 0.237 31.922 31.700 -0.025 0.000 0.775 345 S N -2.159 113.540 115.700 -0.001 0.000 2.638 345 S HA 0.367 4.837 4.470 0.000 0.000 0.274 345 S C 0.877 175.527 174.600 0.083 0.000 1.157 345 S CA -0.030 58.183 58.200 0.023 0.000 0.826 345 S CB 1.214 64.456 63.200 0.070 0.000 1.139 345 S HN 0.012 nan 8.310 nan 0.000 0.474 346 S N 0.377 116.136 115.700 0.098 0.000 2.515 346 S HA 0.011 4.481 4.470 0.000 0.000 0.231 346 S C 0.998 175.694 174.600 0.160 0.000 0.987 346 S CA 0.507 58.795 58.200 0.146 0.000 0.936 346 S CB -0.862 62.433 63.200 0.158 0.000 0.766 346 S HN 1.340 nan 8.310 nan 0.000 0.528 347 S N 0.587 116.374 115.700 0.145 0.000 3.700 347 S HA 0.476 4.946 4.470 0.000 0.000 0.192 347 S C -0.820 173.872 174.600 0.153 0.000 1.430 347 S CA -0.792 57.480 58.200 0.119 0.000 0.999 347 S CB -0.796 62.450 63.200 0.077 0.000 1.411 347 S HN 0.467 nan 8.310 nan 0.000 0.491 348 Y N 2.322 122.630 120.300 0.013 0.000 2.477 348 Y HA 0.547 5.097 4.550 0.000 0.000 0.347 348 Y C -2.471 173.378 175.900 -0.086 0.000 0.981 348 Y CA -1.980 56.075 58.100 -0.074 0.000 1.033 348 Y CB 1.723 40.108 38.460 -0.124 0.000 1.245 348 Y HN 0.334 nan 8.280 nan 0.000 0.455 349 P HA 0.178 nan 4.420 nan 0.000 0.268 349 P C -1.153 176.091 177.300 -0.094 0.000 1.205 349 P CA 0.113 63.066 63.100 -0.245 0.000 0.771 349 P CB 1.187 32.666 31.700 -0.369 0.000 0.858 350 L N 4.534 125.737 121.223 -0.034 0.000 2.325 350 L HA 0.441 4.781 4.340 0.000 0.000 0.279 350 L C -1.836 174.915 176.870 -0.199 0.000 1.054 350 L CA -2.095 52.728 54.840 -0.027 0.000 0.804 350 L CB 1.321 43.416 42.059 0.061 0.000 1.200 350 L HN 0.299 nan 8.230 nan 0.000 0.436 351 P HA 0.193 nan 4.420 nan 0.000 0.293 351 P C -0.982 176.145 177.300 -0.290 0.000 1.300 351 P CA -0.577 62.273 63.100 -0.417 0.000 0.792 351 P CB 0.950 32.212 31.700 -0.731 0.000 0.925 352 N N 0.674 119.287 118.700 -0.145 0.000 2.230 352 N HA 0.069 4.809 4.740 0.000 0.000 0.202 352 N C 0.011 175.496 175.510 -0.042 0.000 1.119 352 N CA -0.390 52.613 53.050 -0.079 0.000 0.851 352 N CB 0.204 38.663 38.487 -0.046 0.000 0.990 352 N HN 0.327 nan 8.380 nan 0.000 0.497 353 S N -1.614 114.065 115.700 -0.034 0.000 2.685 353 S HA 0.531 5.001 4.470 0.000 0.000 0.282 353 S C -0.279 174.353 174.600 0.054 0.000 1.159 353 S CA -0.768 57.437 58.200 0.008 0.000 0.833 353 S CB 0.614 63.825 63.200 0.018 0.000 1.151 353 S HN 0.238 nan 8.310 nan 0.000 0.485 354 T N 0.057 114.633 114.554 0.036 0.000 2.903 354 T HA 0.527 4.877 4.350 0.000 0.000 0.314 354 T C -0.205 174.548 174.700 0.088 0.000 1.078 354 T CA -0.309 61.797 62.100 0.010 0.000 1.114 354 T CB -0.575 68.234 68.868 -0.098 0.000 0.987 354 T HN 1.249 nan 8.240 nan 0.000 0.548 355 F N -1.224 118.611 119.950 -0.192 0.000 2.662 355 F HA 0.816 5.343 4.527 0.000 0.000 0.312 355 F C -1.040 174.599 175.800 -0.267 0.000 1.113 355 F CA -1.754 56.154 58.000 -0.153 0.000 0.951 355 F CB 1.051 40.041 39.000 -0.017 0.000 1.344 355 F HN 0.835 nan 8.300 nan 0.000 0.462 356 A N 1.058 123.766 122.820 -0.187 0.000 2.343 356 A HA 0.604 4.924 4.320 0.000 0.000 0.316 356 A C -2.036 175.650 177.584 0.170 0.000 1.104 356 A CA -0.644 51.177 52.037 -0.360 0.000 0.768 356 A CB 0.553 19.243 19.000 -0.516 0.000 1.213 356 A HN 1.000 nan 8.150 nan 0.000 0.456 357 H N 1.701 120.806 119.070 0.058 0.000 2.623 357 H HA 0.579 5.135 4.556 0.000 0.000 0.299 357 H C -1.698 173.743 175.328 0.188 0.000 1.052 357 H CA -0.604 55.660 56.048 0.360 0.000 1.231 357 H CB 0.126 30.245 29.762 0.595 0.000 1.389 357 H HN 0.438 nan 8.280 nan 0.000 0.469 358 F N 4.184 124.194 119.950 0.101 0.000 2.390 358 F HA 0.498 5.025 4.527 0.000 0.000 0.361 358 F C 0.485 176.288 175.800 0.005 0.000 1.124 358 F CA -0.296 57.763 58.000 0.097 0.000 1.149 358 F CB 0.845 39.889 39.000 0.074 0.000 1.160 358 F HN 0.617 nan 8.300 nan 0.000 0.501 359 A N 2.521 125.471 122.820 0.216 0.000 2.340 359 A HA 0.753 5.073 4.320 0.000 0.000 0.331 359 A C -0.509 177.307 177.584 0.386 0.000 1.140 359 A CA -0.613 51.571 52.037 0.244 0.000 0.801 359 A CB 1.504 20.636 19.000 0.220 0.000 1.234 359 A HN 0.525 nan 8.150 nan 0.000 0.469 360 S N 0.644 116.559 115.700 0.358 0.000 2.647 360 S HA 0.483 4.954 4.470 0.000 0.000 0.300 360 S C -0.841 173.892 174.600 0.223 0.000 1.129 360 S CA -0.632 57.735 58.200 0.279 0.000 1.029 360 S CB 0.660 63.950 63.200 0.150 0.000 1.007 360 S HN 0.730 nan 8.310 nan 0.000 0.484 361 K N 4.556 124.984 120.400 0.047 0.000 2.235 361 K HA 0.553 4.873 4.320 0.000 0.000 0.266 361 K C -0.865 175.642 176.600 -0.156 0.000 0.980 361 K CA -0.612 55.555 56.287 -0.200 0.000 0.849 361 K CB 1.137 33.150 32.500 -0.811 0.000 1.098 361 K HN 0.478 nan 8.250 nan 0.000 0.445 362 V N 3.726 123.612 119.914 -0.047 0.000 2.614 362 V HA 0.178 4.299 4.120 0.000 0.000 0.291 362 V C 0.588 176.599 176.094 -0.139 0.000 1.049 362 V CA -0.382 61.909 62.300 -0.015 0.000 1.038 362 V CB 0.966 32.886 31.823 0.161 0.000 0.980 362 V HN 0.986 nan 8.190 nan 0.000 0.481 363 A N 4.051 126.698 122.820 -0.288 0.000 2.406 363 A HA 0.646 4.966 4.320 0.000 0.000 0.243 363 A C 1.250 178.839 177.584 0.008 0.000 1.082 363 A CA 0.696 52.588 52.037 -0.241 0.000 0.786 363 A CB -0.179 18.631 19.000 -0.316 0.000 1.029 363 A HN 1.999 nan 8.150 nan 0.000 0.495 364 G N 0.740 109.575 108.800 0.059 0.000 3.138 364 G HA2 -0.145 3.815 3.960 0.000 0.000 0.247 364 G HA3 -0.145 3.815 3.960 0.000 0.000 0.247 364 G C -2.658 172.494 174.900 0.421 0.000 1.642 364 G CA 0.039 45.225 45.100 0.143 0.000 1.087 364 G HN 1.024 nan 8.290 nan 0.000 0.558 365 P HA 0.554 nan 4.420 nan 0.000 0.283 365 P C 0.935 178.554 177.300 0.531 0.000 1.278 365 P CA -0.607 62.710 63.100 0.362 0.000 0.834 365 P CB 1.387 33.248 31.700 0.267 0.000 1.150 366 L N -0.456 120.985 121.223 0.362 0.000 2.179 366 L HA 0.005 4.345 4.340 0.000 0.000 0.208 366 L C 1.333 178.454 176.870 0.420 0.000 1.096 366 L CA 0.981 56.072 54.840 0.419 0.000 0.779 366 L CB -0.544 41.648 42.059 0.222 0.000 0.922 366 L HN 0.343 nan 8.230 nan 0.000 0.443 367 S N -0.426 115.419 115.700 0.242 0.000 2.576 367 S HA 0.314 4.784 4.470 0.000 0.000 0.276 367 S C -0.666 173.933 174.600 -0.001 0.000 1.339 367 S CA -0.260 57.973 58.200 0.055 0.000 1.039 367 S CB 0.506 63.698 63.200 -0.014 0.000 0.902 367 S HN 0.247 nan 8.310 nan 0.000 0.516 368 Y N -1.391 118.799 120.300 -0.182 0.000 2.638 368 Y HA 0.832 5.383 4.550 0.000 0.000 0.335 368 Y C -0.067 175.717 175.900 -0.192 0.000 1.155 368 Y CA -1.074 56.813 58.100 -0.355 0.000 1.046 368 Y CB 0.698 38.729 38.460 -0.716 0.000 1.303 368 Y HN 0.726 nan 8.280 nan 0.000 0.460 369 G N 0.333 109.148 108.800 0.025 0.000 3.183 369 G HA2 0.690 4.650 3.960 0.000 0.000 0.247 369 G HA3 0.690 4.650 3.960 0.000 0.000 0.247 369 G C -1.286 173.586 174.900 -0.046 0.000 1.211 369 G CA -0.581 44.474 45.100 -0.076 0.000 0.835 369 G HN 1.351 nan 8.290 nan 0.000 0.604 370 S N -1.755 113.853 115.700 -0.153 0.000 2.651 370 S HA 0.748 5.219 4.470 0.000 0.000 0.279 370 S C -1.360 173.113 174.600 -0.213 0.000 1.148 370 S CA -0.691 57.409 58.200 -0.167 0.000 0.837 370 S CB 1.733 64.824 63.200 -0.182 0.000 1.138 370 S HN 1.086 nan 8.310 nan 0.000 0.478 371 L N 1.812 122.920 121.223 -0.192 0.000 2.341 371 L HA 0.835 5.175 4.340 0.000 0.000 0.278 371 L C -0.700 176.050 176.870 -0.199 0.000 1.005 371 L CA -0.083 54.642 54.840 -0.191 0.000 0.818 371 L CB 1.949 43.919 42.059 -0.148 0.000 1.259 371 L HN 1.148 nan 8.230 nan 0.000 0.418 372 T N 1.897 116.353 114.554 -0.163 0.000 2.906 372 T HA 0.529 4.880 4.350 0.000 0.000 0.295 372 T C -0.347 174.352 174.700 -0.002 0.000 1.075 372 T CA -0.908 61.116 62.100 -0.126 0.000 1.005 372 T CB 1.364 70.165 68.868 -0.112 0.000 1.136 372 T HN 0.483 nan 8.240 nan 0.000 0.498 373 L N 1.945 123.249 121.223 0.136 0.000 2.397 373 L HA 0.422 4.763 4.340 0.000 0.000 0.271 373 L C 1.511 178.421 176.870 0.066 0.000 1.148 373 L CA -0.674 54.225 54.840 0.099 0.000 0.825 373 L CB 0.734 42.873 42.059 0.134 0.000 1.117 373 L HN 0.768 nan 8.230 nan 0.000 0.456 374 K N 0.934 121.349 120.400 0.025 0.000 2.276 374 K HA 0.071 4.391 4.320 0.000 0.000 0.198 374 K C 0.468 177.076 176.600 0.014 0.000 1.052 374 K CA 0.335 56.632 56.287 0.016 0.000 0.984 374 K CB 0.465 32.968 32.500 0.004 0.000 0.836 374 K HN 0.482 nan 8.250 nan 0.000 0.490 375 S N -0.433 115.274 115.700 0.011 0.000 2.502 375 S HA 0.284 4.754 4.470 0.000 0.000 0.304 375 S C 0.384 174.987 174.600 0.004 0.000 1.097 375 S CA -0.393 57.810 58.200 0.004 0.000 1.045 375 S CB 1.393 64.594 63.200 0.003 0.000 1.019 375 S HN 0.275 nan 8.310 nan 0.000 0.481 376 S N 2.848 118.542 115.700 -0.010 0.000 2.607 376 S HA 0.033 4.503 4.470 0.000 0.000 0.224 376 S C 1.166 175.760 174.600 -0.011 0.000 0.969 376 S CA 0.751 58.937 58.200 -0.022 0.000 0.927 376 S CB -0.256 62.913 63.200 -0.052 0.000 0.772 376 S HN 0.950 nan 8.310 nan 0.000 0.533 377 S N -0.371 115.327 115.700 -0.003 0.000 2.648 377 S HA 0.289 4.759 4.470 0.000 0.000 0.270 377 S C -0.002 174.603 174.600 0.007 0.000 1.080 377 S CA -0.477 57.724 58.200 0.002 0.000 1.159 377 S CB -0.386 62.813 63.200 -0.001 0.000 1.091 377 S HN 0.316 nan 8.310 nan 0.000 0.605 378 N N 2.004 120.707 118.700 0.006 0.000 2.485 378 N HA 0.318 5.058 4.740 0.000 0.000 0.243 378 N C 0.576 176.092 175.510 0.009 0.000 0.987 378 N CA -0.181 52.874 53.050 0.008 0.000 0.940 378 N CB 1.617 40.108 38.487 0.006 0.000 1.122 378 N HN 0.082 nan 8.380 nan 0.000 0.509 379 V N 5.034 124.955 119.914 0.013 0.000 2.913 379 V HA -0.047 4.073 4.120 0.000 0.000 0.260 379 V C 1.798 177.897 176.094 0.008 0.000 1.098 379 V CA 1.537 63.844 62.300 0.012 0.000 1.121 379 V CB -0.287 31.547 31.823 0.018 0.000 0.714 379 V HN 0.589 nan 8.190 nan 0.000 0.487 380 R N -0.732 119.774 120.500 0.010 0.000 2.299 380 R HA 0.113 4.454 4.340 0.000 0.000 0.197 380 R C 0.372 176.673 176.300 0.002 0.000 0.971 380 R CA 0.112 56.216 56.100 0.008 0.000 1.030 380 R CB 0.145 30.452 30.300 0.011 0.000 0.932 380 R HN 0.373 nan 8.270 nan 0.000 0.477 381 V N 1.927 121.841 119.914 -0.001 0.000 2.406 381 V HA 0.077 4.197 4.120 0.000 0.000 0.272 381 V C 0.316 176.401 176.094 -0.015 0.000 1.043 381 V CA -0.299 61.998 62.300 -0.004 0.000 0.915 381 V CB 1.558 33.381 31.823 -0.000 0.000 0.988 381 V HN 0.145 nan 8.190 nan 0.000 0.466 382 S N 7.657 123.345 115.700 -0.020 0.000 2.552 382 S HA 0.157 4.627 4.470 0.000 0.000 0.289 382 S C -2.083 172.479 174.600 -0.064 0.000 1.304 382 S CA -0.373 57.795 58.200 -0.054 0.000 1.063 382 S CB 0.390 63.564 63.200 -0.043 0.000 0.848 382 S HN 0.613 nan 8.310 nan 0.000 0.499 383 P HA 0.185 nan 4.420 nan 0.000 0.276 383 P C -0.317 176.914 177.300 -0.115 0.000 1.252 383 P CA -0.732 62.311 63.100 -0.095 0.000 0.802 383 P CB 0.494 32.125 31.700 -0.115 0.000 1.035 384 N N 0.636 119.282 118.700 -0.089 0.000 2.499 384 N HA 0.265 5.005 4.740 0.000 0.000 0.281 384 N C -1.477 173.933 175.510 -0.167 0.000 1.098 384 N CA 0.044 53.039 53.050 -0.091 0.000 0.979 384 N CB 0.453 38.906 38.487 -0.057 0.000 1.121 384 N HN 0.010 nan 8.380 nan 0.000 0.466 385 V N 2.675 122.463 119.914 -0.211 0.000 2.841 385 V HA 0.427 4.548 4.120 0.000 0.000 0.310 385 V C -0.406 175.412 176.094 -0.459 0.000 1.090 385 V CA -0.890 61.178 62.300 -0.386 0.000 0.930 385 V CB 2.133 33.637 31.823 -0.532 0.000 1.014 385 V HN 0.634 nan 8.190 nan 0.000 0.425 386 K N 2.220 122.293 120.400 -0.545 0.000 2.443 386 K HA 0.592 4.912 4.320 0.000 0.000 0.252 386 K C -0.688 175.572 176.600 -0.566 0.000 0.933 386 K CA -0.533 55.490 56.287 -0.441 0.000 0.792 386 K CB 1.660 34.028 32.500 -0.219 0.000 1.185 386 K HN 0.519 nan 8.250 nan 0.000 0.425 387 F N 1.206 121.018 119.950 -0.229 0.000 2.717 387 F HA 0.167 4.694 4.527 0.000 0.000 0.297 387 F C 0.336 175.859 175.800 -0.461 0.000 1.113 387 F CA -0.659 57.093 58.000 -0.412 0.000 1.319 387 F CB 0.494 39.061 39.000 -0.722 0.000 1.097 387 F HN 0.583 nan 8.300 nan 0.000 0.595 388 N N 0.767 119.348 118.700 -0.197 0.000 2.727 388 N HA -0.250 4.490 4.740 0.000 0.000 0.251 388 N C -1.002 174.439 175.510 -0.115 0.000 1.040 388 N CA 0.452 53.427 53.050 -0.126 0.000 0.712 388 N CB -1.969 36.422 38.487 -0.161 0.000 0.912 388 N HN 0.334 nan 8.380 nan 0.000 0.545 389 Y N -0.200 120.096 120.300 -0.006 0.000 2.810 389 Y HA -0.113 4.437 4.550 0.000 0.000 0.332 389 Y C 1.415 177.254 175.900 -0.103 0.000 1.243 389 Y CA 0.717 58.713 58.100 -0.174 0.000 1.537 389 Y CB -0.050 38.272 38.460 -0.229 0.000 1.265 389 Y HN 0.274 nan 8.280 nan 0.000 0.572 390 Y N -0.454 119.954 120.300 0.179 0.000 4.604 390 Y HA -0.395 4.155 4.550 0.000 0.000 0.230 390 Y C 1.871 177.801 175.900 0.049 0.000 1.066 390 Y CA 0.351 58.511 58.100 0.100 0.000 1.990 390 Y CB -1.750 36.766 38.460 0.094 0.000 1.619 390 Y HN 0.727 nan 8.280 nan 0.000 0.649 391 S N -0.690 115.079 115.700 0.115 0.000 2.423 391 S HA -0.113 4.358 4.470 0.000 0.000 0.231 391 S C 0.686 175.311 174.600 0.042 0.000 1.014 391 S CA 0.856 59.081 58.200 0.043 0.000 0.965 391 S CB 0.031 63.200 63.200 -0.052 0.000 0.785 391 S HN 0.524 nan 8.310 nan 0.000 0.495 392 N N 1.297 120.035 118.700 0.063 0.000 2.426 392 N HA 0.259 4.999 4.740 0.000 0.000 0.257 392 N C 0.626 176.186 175.510 0.085 0.000 1.002 392 N CA -0.221 52.868 53.050 0.064 0.000 0.942 392 N CB 1.033 39.567 38.487 0.079 0.000 1.112 392 N HN 0.265 nan 8.380 nan 0.000 0.499 393 L N 2.374 123.625 121.223 0.048 0.000 2.265 393 L HA -0.136 4.204 4.340 0.000 0.000 0.215 393 L C 1.916 178.771 176.870 -0.024 0.000 1.117 393 L CA 0.955 55.810 54.840 0.025 0.000 0.782 393 L CB -0.344 41.718 42.059 0.005 0.000 0.914 393 L HN 0.525 nan 8.230 nan 0.000 0.441 394 T N -1.173 113.347 114.554 -0.057 0.000 2.867 394 T HA -0.142 4.208 4.350 0.000 0.000 0.268 394 T C 1.403 175.914 174.700 -0.315 0.000 1.057 394 T CA 1.135 63.108 62.100 -0.212 0.000 1.136 394 T CB -0.149 68.608 68.868 -0.185 0.000 0.874 394 T HN 0.310 nan 8.240 nan 0.000 0.466 395 D N 1.002 121.379 120.400 -0.038 0.000 2.117 395 D HA -0.037 4.604 4.640 0.000 0.000 0.197 395 D C 1.997 178.448 176.300 0.253 0.000 0.987 395 D CA 0.564 54.651 54.000 0.146 0.000 0.829 395 D CB -0.381 40.580 40.800 0.267 0.000 0.961 395 D HN 0.198 nan 8.370 nan 0.000 0.460 396 L N 1.097 122.426 121.223 0.177 0.000 2.046 396 L HA -0.163 4.177 4.340 0.000 0.000 0.208 396 L C 2.318 179.142 176.870 -0.076 0.000 1.077 396 L CA 1.816 56.596 54.840 -0.101 0.000 0.747 396 L CB -0.861 41.098 42.059 -0.168 0.000 0.896 396 L HN 0.039 nan 8.230 nan 0.000 0.432 397 S N -1.914 113.742 115.700 -0.073 0.000 2.383 397 S HA -0.273 4.197 4.470 0.000 0.000 0.229 397 S C 1.955 176.595 174.600 0.067 0.000 1.030 397 S CA 1.542 59.713 58.200 -0.048 0.000 1.002 397 S CB -1.170 61.974 63.200 -0.093 0.000 0.829 397 S HN 0.712 nan 8.310 nan 0.000 0.467 398 H N -0.480 118.633 119.070 0.072 0.000 2.428 398 H HA 0.015 4.571 4.556 0.000 0.000 0.296 398 H C 2.676 178.048 175.328 0.073 0.000 1.062 398 H CA 0.913 57.033 56.048 0.120 0.000 1.350 398 H CB -0.247 29.596 29.762 0.135 0.000 1.403 398 H HN 0.588 nan 8.280 nan 0.000 0.533 399 c N 0.513 119.223 118.600 0.183 0.000 2.432 399 c HA -0.115 4.455 4.570 0.000 0.000 0.277 399 c C 2.735 176.826 174.090 0.001 0.000 1.249 399 c CA 0.711 57.100 56.329 0.100 0.000 1.725 399 c CB -1.060 41.497 42.510 0.078 0.000 2.028 399 c HN 0.333 nan 8.230 nan 0.000 0.477 400 V N 2.212 122.121 119.914 -0.008 0.000 2.287 400 V HA -0.209 3.912 4.120 0.000 0.000 0.248 400 V C 2.867 178.848 176.094 -0.189 0.000 1.053 400 V CA 2.678 64.953 62.300 -0.041 0.000 1.027 400 V CB -1.106 30.683 31.823 -0.057 0.000 0.646 400 V HN 0.829 nan 8.190 nan 0.000 0.447 401 S N 0.867 116.485 115.700 -0.138 0.000 2.368 401 S HA -0.129 4.341 4.470 0.000 0.000 0.225 401 S C 2.108 176.381 174.600 -0.546 0.000 1.030 401 S CA 1.503 59.601 58.200 -0.170 0.000 0.999 401 S CB -1.095 62.182 63.200 0.129 0.000 0.844 401 S HN 0.565 nan 8.310 nan 0.000 0.459 402 G N 1.739 109.996 108.800 -0.905 0.000 2.418 402 G HA2 -0.094 3.866 3.960 0.000 0.000 0.217 402 G HA3 -0.094 3.866 3.960 0.000 0.000 0.217 402 G C 1.449 175.993 174.900 -0.592 0.000 1.158 402 G CA 1.128 45.328 45.100 -1.500 0.000 0.771 402 G HN 0.397 nan 8.290 nan 0.000 0.545 403 M N 0.415 119.864 119.600 -0.252 0.000 2.319 403 M HA 0.130 4.610 4.480 0.000 0.000 0.265 403 M C 2.244 178.522 176.300 -0.037 0.000 1.068 403 M CA 0.732 56.007 55.300 -0.043 0.000 1.118 403 M CB -0.673 32.020 32.600 0.155 0.000 1.395 403 M HN 0.208 nan 8.290 nan 0.000 0.435 404 K N -0.044 120.211 120.400 -0.241 0.000 2.097 404 K HA -0.161 4.159 4.320 0.000 0.000 0.205 404 K C 2.047 178.548 176.600 -0.165 0.000 1.050 404 K CA 0.945 57.043 56.287 -0.315 0.000 0.938 404 K CB -0.024 32.187 32.500 -0.481 0.000 0.718 404 K HN -0.006 nan 8.250 nan 0.000 0.442 405 K N 1.436 121.730 120.400 -0.177 0.000 2.097 405 K HA -0.069 4.251 4.320 0.000 0.000 0.205 405 K C 1.753 178.333 176.600 -0.034 0.000 1.050 405 K CA 1.046 57.302 56.287 -0.052 0.000 0.938 405 K CB -0.123 32.400 32.500 0.037 0.000 0.718 405 K HN -0.031 nan 8.250 nan 0.000 0.442 406 I N 0.635 121.163 120.570 -0.070 0.000 2.286 406 I HA -0.125 4.045 4.170 0.000 0.000 0.248 406 I C 2.212 178.238 176.117 -0.152 0.000 1.115 406 I CA 1.654 62.897 61.300 -0.094 0.000 1.392 406 I CB -1.653 36.306 38.000 -0.067 0.000 1.065 406 I HN 0.367 nan 8.210 nan 0.000 0.418 407 G N 0.407 109.152 108.800 -0.091 0.000 2.442 407 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 407 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 407 G C 1.596 176.460 174.900 -0.059 0.000 1.141 407 G CA 0.447 45.510 45.100 -0.062 0.000 0.763 407 G HN 0.427 nan 8.290 nan 0.000 0.554 408 E N -0.340 119.828 120.200 -0.054 0.000 2.077 408 E HA -0.079 4.272 4.350 0.000 0.000 0.193 408 E C 2.533 179.104 176.600 -0.049 0.000 0.989 408 E CA 0.556 56.937 56.400 -0.033 0.000 0.800 408 E CB -0.149 29.542 29.700 -0.015 0.000 0.746 408 E HN 0.284 nan 8.360 nan 0.000 0.452 409 L N 0.639 121.799 121.223 -0.104 0.000 2.042 409 L HA -0.204 4.137 4.340 0.000 0.000 0.210 409 L C 2.238 178.995 176.870 -0.190 0.000 1.076 409 L CA 1.404 56.136 54.840 -0.179 0.000 0.749 409 L CB -0.378 41.480 42.059 -0.336 0.000 0.893 409 L HN 0.156 nan 8.230 nan 0.000 0.432 410 L N -1.614 119.469 121.223 -0.233 0.000 2.362 410 L HA -0.131 4.210 4.340 0.000 0.000 0.219 410 L C 1.835 178.810 176.870 0.174 0.000 1.134 410 L CA 0.671 55.432 54.840 -0.132 0.000 0.807 410 L CB -0.395 41.509 42.059 -0.258 0.000 0.927 410 L HN 0.198 nan 8.230 nan 0.000 0.447 411 S N -1.484 114.260 115.700 0.073 0.000 2.556 411 S HA 0.021 4.491 4.470 0.000 0.000 0.216 411 S C 0.943 175.581 174.600 0.064 0.000 0.970 411 S CA 0.006 58.255 58.200 0.083 0.000 0.912 411 S CB -0.099 63.127 63.200 0.044 0.000 0.790 411 S HN 0.538 nan 8.310 nan 0.000 0.504 412 T N 0.517 115.106 114.554 0.059 0.000 2.860 412 T HA 0.196 4.547 4.350 0.000 0.000 0.299 412 T C 0.496 175.240 174.700 0.073 0.000 1.045 412 T CA -0.467 61.665 62.100 0.053 0.000 1.071 412 T CB 0.551 69.441 68.868 0.037 0.000 0.985 412 T HN -0.136 nan 8.240 nan 0.000 0.537 413 D N 1.089 121.523 120.400 0.057 0.000 2.178 413 D HA -0.031 4.610 4.640 0.000 0.000 0.201 413 D C 2.354 178.704 176.300 0.083 0.000 0.980 413 D CA 1.489 55.522 54.000 0.055 0.000 0.842 413 D CB -0.781 40.043 40.800 0.041 0.000 0.948 413 D HN 0.758 nan 8.370 nan 0.000 0.472 414 A N 0.583 123.457 122.820 0.090 0.000 1.948 414 A HA -0.137 4.183 4.320 0.000 0.000 0.220 414 A C 2.153 179.879 177.584 0.236 0.000 1.177 414 A CA 1.049 53.158 52.037 0.119 0.000 0.636 414 A CB -0.571 18.467 19.000 0.062 0.000 0.815 414 A HN 0.270 nan 8.150 nan 0.000 0.449 415 L N -1.543 119.834 121.223 0.257 0.000 2.607 415 L HA 0.092 4.432 4.340 0.000 0.000 0.228 415 L C 2.117 179.265 176.870 0.463 0.000 1.123 415 L CA 0.380 55.511 54.840 0.485 0.000 0.890 415 L CB -0.207 42.084 42.059 0.386 0.000 1.103 415 L HN 0.425 nan 8.230 nan 0.000 0.468 416 K N 1.611 122.136 120.400 0.209 0.000 2.063 416 K HA -0.158 4.162 4.320 0.000 0.000 0.208 416 K C -0.638 175.934 176.600 -0.046 0.000 1.048 416 K CA 1.459 57.771 56.287 0.042 0.000 0.928 416 K CB -0.483 32.019 32.500 0.004 0.000 0.713 416 K HN 0.165 nan 8.250 nan 0.000 0.442 417 P HA -0.110 nan 4.420 nan 0.000 0.228 417 P C -0.165 176.832 177.300 -0.506 0.000 1.151 417 P CA 1.031 63.912 63.100 -0.364 0.000 0.770 417 P CB 0.071 31.462 31.700 -0.516 0.000 0.786 418 Y N -1.219 119.200 120.300 0.198 0.000 2.485 418 Y HA 0.209 4.759 4.550 0.000 0.000 0.260 418 Y C 1.003 177.034 175.900 0.218 0.000 1.173 418 Y CA -0.267 58.002 58.100 0.281 0.000 1.252 418 Y CB -0.124 38.627 38.460 0.485 0.000 1.123 418 Y HN -0.193 nan 8.280 nan 0.000 0.524 419 K N 0.309 120.685 120.400 -0.040 0.000 2.098 419 K HA 0.259 4.579 4.320 0.000 0.000 0.257 419 K C 1.082 177.608 176.600 -0.124 0.000 0.999 419 K CA 0.002 56.080 56.287 -0.349 0.000 0.924 419 K CB 1.920 34.032 32.500 -0.647 0.000 1.028 419 K HN 0.021 nan 8.250 nan 0.000 0.466 420 V N -1.861 117.997 119.914 -0.093 0.000 3.307 420 V HA 0.123 4.244 4.120 0.000 0.000 0.253 420 V C 0.178 176.233 176.094 -0.066 0.000 1.149 420 V CA 0.569 62.846 62.300 -0.038 0.000 1.112 420 V CB -0.258 31.569 31.823 0.007 0.000 0.777 420 V HN 0.652 nan 8.190 nan 0.000 0.464 421 E N 0.151 120.287 120.200 -0.106 0.000 2.317 421 E HA 0.293 4.644 4.350 0.000 0.000 0.270 421 E C -0.553 175.971 176.600 -0.127 0.000 0.885 421 E CA -0.523 55.822 56.400 -0.093 0.000 0.760 421 E CB 1.988 31.648 29.700 -0.066 0.000 1.227 421 E HN -0.053 nan 8.360 nan 0.000 0.434 422 D N 1.197 121.541 120.400 -0.094 0.000 2.384 422 D HA -0.025 4.616 4.640 0.000 0.000 0.222 422 D C 0.340 176.587 176.300 -0.088 0.000 0.976 422 D CA 0.382 54.327 54.000 -0.092 0.000 0.915 422 D CB 0.091 40.854 40.800 -0.062 0.000 0.896 422 D HN 0.382 nan 8.370 nan 0.000 0.523 423 L N 2.027 123.199 121.223 -0.085 0.000 2.685 423 L HA -0.093 4.247 4.340 0.000 0.000 0.305 423 L C -1.595 175.238 176.870 -0.062 0.000 1.258 423 L CA -0.466 54.335 54.840 -0.064 0.000 0.876 423 L CB -0.436 41.588 42.059 -0.057 0.000 1.124 423 L HN 0.033 nan 8.230 nan 0.000 0.507 424 P HA 0.164 nan 4.420 nan 0.000 0.275 424 P C 0.520 177.819 177.300 -0.002 0.000 1.266 424 P CA 0.532 63.620 63.100 -0.020 0.000 0.793 424 P CB 0.902 32.594 31.700 -0.013 0.000 1.074 425 G N 0.127 108.934 108.800 0.011 0.000 2.611 425 G HA2 -0.305 3.656 3.960 0.000 0.000 0.301 425 G HA3 -0.305 3.656 3.960 0.000 0.000 0.301 425 G C 0.846 175.787 174.900 0.068 0.000 1.233 425 G CA 0.956 46.075 45.100 0.031 0.000 0.993 425 G HN 0.667 nan 8.290 nan 0.000 0.553 426 V N -1.011 118.953 119.914 0.084 0.000 3.649 426 V HA 0.423 4.543 4.120 0.000 0.000 0.275 426 V C 0.845 177.071 176.094 0.220 0.000 1.281 426 V CA 1.475 63.871 62.300 0.161 0.000 1.143 426 V CB -0.469 31.395 31.823 0.069 0.000 0.892 426 V HN 0.591 nan 8.190 nan 0.000 0.441 427 E N 0.854 121.116 120.200 0.102 0.000 2.349 427 E HA 0.572 4.923 4.350 0.000 0.000 0.262 427 E C 1.079 177.661 176.600 -0.030 0.000 1.088 427 E CA 0.080 56.518 56.400 0.064 0.000 0.899 427 E CB 1.171 30.880 29.700 0.016 0.000 1.044 427 E HN 0.389 nan 8.360 nan 0.000 0.420 428 G N 1.136 109.913 108.800 -0.040 0.000 2.231 428 G HA2 -0.226 3.734 3.960 0.000 0.000 0.206 428 G HA3 -0.226 3.734 3.960 0.000 0.000 0.206 428 G C -0.169 174.616 174.900 -0.192 0.000 0.996 428 G CA -0.614 44.390 45.100 -0.161 0.000 0.645 428 G HN 0.375 nan 8.290 nan 0.000 0.498 429 F N 1.119 121.092 119.950 0.038 0.000 2.371 429 F HA 0.598 5.125 4.527 0.000 0.000 0.329 429 F C 0.675 176.509 175.800 0.057 0.000 1.107 429 F CA -0.884 57.156 58.000 0.066 0.000 1.137 429 F CB 0.981 40.031 39.000 0.083 0.000 1.214 429 F HN 0.015 nan 8.300 nan 0.000 0.536 430 N N 2.989 121.857 118.700 0.280 0.000 2.415 430 N HA 0.196 4.936 4.740 0.000 0.000 0.246 430 N C -1.160 174.460 175.510 0.184 0.000 1.078 430 N CA -0.183 52.969 53.050 0.169 0.000 0.942 430 N CB 0.075 38.639 38.487 0.128 0.000 1.140 430 N HN 0.303 nan 8.380 nan 0.000 0.501 431 I N 3.182 123.835 120.570 0.139 0.000 2.385 431 I HA 0.261 4.431 4.170 0.000 0.000 0.294 431 I C 0.014 176.172 176.117 0.069 0.000 0.988 431 I CA -0.977 60.398 61.300 0.124 0.000 1.265 431 I CB 1.089 39.150 38.000 0.102 0.000 1.388 431 I HN 0.409 nan 8.210 nan 0.000 0.480 432 L N 6.480 127.757 121.223 0.090 0.000 2.264 432 L HA 0.719 5.059 4.340 0.000 0.000 0.287 432 L C 0.259 177.131 176.870 0.004 0.000 1.039 432 L CA 0.698 55.538 54.840 -0.001 0.000 0.829 432 L CB 0.329 42.382 42.059 -0.010 0.000 1.211 432 L HN 0.912 nan 8.230 nan 0.000 0.427 433 G N 4.123 112.817 108.800 -0.177 0.000 2.472 433 G HA2 -0.149 3.811 3.960 0.000 0.000 0.205 433 G HA3 -0.149 3.811 3.960 0.000 0.000 0.205 433 G C -0.443 174.425 174.900 -0.052 0.000 1.270 433 G CA -0.472 44.484 45.100 -0.240 0.000 0.974 433 G HN 0.625 nan 8.290 nan 0.000 0.542 434 I N 3.672 124.253 120.570 0.019 0.000 2.517 434 I HA 0.252 4.422 4.170 0.000 0.000 0.285 434 I C -1.192 175.031 176.117 0.176 0.000 1.106 434 I CA -1.141 60.193 61.300 0.057 0.000 1.402 434 I CB 0.804 38.801 38.000 -0.005 0.000 1.399 434 I HN 0.362 nan 8.210 nan 0.000 0.535 435 P HA 0.258 nan 4.420 nan 0.000 0.278 435 P C -0.472 176.757 177.300 -0.119 0.000 1.258 435 P CA -0.550 62.563 63.100 0.022 0.000 0.811 435 P CB 1.239 32.936 31.700 -0.005 0.000 1.063 436 L N 1.652 122.670 121.223 -0.342 0.000 2.464 436 L HA 0.249 4.589 4.340 0.000 0.000 0.264 436 L C -1.808 174.754 176.870 -0.514 0.000 1.199 436 L CA -1.733 52.676 54.840 -0.718 0.000 0.818 436 L CB -0.403 41.301 42.059 -0.590 0.000 1.102 436 L HN 0.264 nan 8.230 nan 0.000 0.473 437 P HA 0.100 nan 4.420 nan 0.000 0.271 437 P C -0.215 176.936 177.300 -0.248 0.000 1.216 437 P CA -0.215 62.616 63.100 -0.447 0.000 0.776 437 P CB 0.648 31.982 31.700 -0.609 0.000 0.881 438 K N 0.662 120.992 120.400 -0.116 0.000 2.057 438 K HA -0.104 4.216 4.320 0.000 0.000 0.206 438 K C 0.726 177.331 176.600 0.010 0.000 1.050 438 K CA 1.035 57.296 56.287 -0.043 0.000 0.935 438 K CB -0.210 32.274 32.500 -0.026 0.000 0.715 438 K HN 0.514 nan 8.250 nan 0.000 0.439 439 D N 1.487 121.903 120.400 0.027 0.000 2.344 439 D HA -0.029 4.612 4.640 0.000 0.000 0.253 439 D C 0.561 176.972 176.300 0.184 0.000 1.255 439 D CA 0.154 54.197 54.000 0.072 0.000 0.894 439 D CB 0.871 41.704 40.800 0.054 0.000 1.067 439 D HN -0.007 nan 8.370 nan 0.000 0.492 440 Q N 1.945 121.834 119.800 0.148 0.000 2.541 440 Q HA -0.050 4.290 4.340 0.000 0.000 0.215 440 Q C 1.403 177.388 176.000 -0.025 0.000 0.977 440 Q CA 0.710 56.596 55.803 0.138 0.000 0.934 440 Q CB -0.104 28.655 28.738 0.035 0.000 0.988 440 Q HN 0.624 nan 8.270 nan 0.000 0.521 441 T N -3.909 110.658 114.554 0.023 0.000 3.054 441 T HA 0.060 4.411 4.350 0.000 0.000 0.255 441 T C 0.370 175.078 174.700 0.014 0.000 1.035 441 T CA -0.387 61.697 62.100 -0.027 0.000 0.941 441 T CB 0.267 69.126 68.868 -0.016 0.000 1.026 441 T HN -0.155 nan 8.240 nan 0.000 0.533 442 D N 2.164 122.631 120.400 0.110 0.000 2.517 442 D HA 0.177 4.818 4.640 0.000 0.000 0.220 442 D C 0.192 176.616 176.300 0.208 0.000 1.158 442 D CA -0.284 53.796 54.000 0.133 0.000 0.992 442 D CB 0.486 41.362 40.800 0.128 0.000 1.058 442 D HN 0.083 nan 8.370 nan 0.000 0.516 443 D N 2.169 122.621 120.400 0.087 0.000 2.116 443 D HA -0.191 4.449 4.640 0.000 0.000 0.193 443 D C 1.920 178.290 176.300 0.117 0.000 0.998 443 D CA 1.473 55.516 54.000 0.072 0.000 0.836 443 D CB -0.076 40.723 40.800 -0.001 0.000 0.951 443 D HN 0.508 nan 8.370 nan 0.000 0.449 444 A N 0.841 123.707 122.820 0.076 0.000 1.908 444 A HA -0.098 4.222 4.320 0.000 0.000 0.218 444 A C 2.301 179.923 177.584 0.063 0.000 1.181 444 A CA 2.425 54.494 52.037 0.053 0.000 0.627 444 A CB -0.812 18.206 19.000 0.030 0.000 0.818 444 A HN 0.254 nan 8.150 nan 0.000 0.445 445 A N -1.533 121.335 122.820 0.080 0.000 1.930 445 A HA 0.042 4.362 4.320 0.000 0.000 0.217 445 A C 1.930 179.513 177.584 -0.002 0.000 1.175 445 A CA 1.400 53.448 52.037 0.019 0.000 0.627 445 A CB -0.664 18.322 19.000 -0.022 0.000 0.815 445 A HN 0.459 nan 8.150 nan 0.000 0.443 446 F N 0.186 120.126 119.950 -0.018 0.000 2.259 446 F HA -0.061 4.466 4.527 0.000 0.000 0.298 446 F C 2.410 178.222 175.800 0.021 0.000 1.088 446 F CA 1.607 59.604 58.000 -0.006 0.000 1.358 446 F CB -0.202 38.760 39.000 -0.064 0.000 1.040 446 F HN 0.303 nan 8.300 nan 0.000 0.505 447 E N -0.590 119.692 120.200 0.136 0.000 2.077 447 E HA -0.170 4.180 4.350 0.000 0.000 0.193 447 E C 2.130 178.714 176.600 -0.026 0.000 0.989 447 E CA 1.766 58.170 56.400 0.007 0.000 0.800 447 E CB -0.284 29.407 29.700 -0.015 0.000 0.746 447 E HN 0.281 nan 8.360 nan 0.000 0.452 448 T N 0.902 115.458 114.554 0.004 0.000 2.746 448 T HA -0.169 4.181 4.350 0.000 0.000 0.267 448 T C 1.473 176.154 174.700 -0.031 0.000 1.039 448 T CA 1.088 63.178 62.100 -0.018 0.000 1.142 448 T CB -0.361 68.501 68.868 -0.009 0.000 0.866 448 T HN 0.187 nan 8.240 nan 0.000 0.444 449 F N 1.345 121.207 119.950 -0.147 0.000 2.102 449 F HA -0.177 4.350 4.527 0.000 0.000 0.298 449 F C 2.494 178.202 175.800 -0.152 0.000 1.105 449 F CA 0.853 58.744 58.000 -0.182 0.000 1.239 449 F CB -0.815 38.014 39.000 -0.284 0.000 0.991 449 F HN 0.151 nan 8.300 nan 0.000 0.474 450 c N 1.121 119.686 118.600 -0.058 0.000 2.413 450 c HA -0.185 4.385 4.570 0.000 0.000 0.276 450 c C 2.855 176.816 174.090 -0.216 0.000 1.236 450 c CA 1.477 57.699 56.329 -0.178 0.000 1.735 450 c CB -1.317 41.048 42.510 -0.242 0.000 2.031 450 c HN 0.474 nan 8.230 nan 0.000 0.474 451 R N 0.840 121.225 120.500 -0.192 0.000 2.075 451 R HA -0.123 4.217 4.340 0.000 0.000 0.232 451 R C 2.190 178.448 176.300 -0.070 0.000 1.126 451 R CA 1.717 57.784 56.100 -0.055 0.000 0.963 451 R CB -0.429 29.847 30.300 -0.040 0.000 0.858 451 R HN 0.777 nan 8.270 nan 0.000 0.435 452 E N 0.359 120.467 120.200 -0.154 0.000 2.371 452 E HA -0.061 4.289 4.350 0.000 0.000 0.194 452 E C 1.066 177.528 176.600 -0.228 0.000 1.012 452 E CA 1.200 57.508 56.400 -0.154 0.000 0.860 452 E CB 0.239 29.860 29.700 -0.132 0.000 0.811 452 E HN 0.213 nan 8.360 nan 0.000 0.502 453 S N 0.216 115.670 115.700 -0.410 0.000 2.559 453 S HA 0.171 4.641 4.470 0.000 0.000 0.226 453 S C 0.571 174.937 174.600 -0.390 0.000 1.000 453 S CA -0.435 57.468 58.200 -0.494 0.000 0.948 453 S CB 0.462 63.067 63.200 -0.991 0.000 0.870 453 S HN 0.139 nan 8.310 nan 0.000 0.497 454 V N 2.309 122.072 119.914 -0.252 0.000 2.901 454 V HA 0.571 4.692 4.120 0.000 0.000 0.307 454 V C 0.324 176.308 176.094 -0.183 0.000 1.084 454 V CA 0.781 62.976 62.300 -0.174 0.000 1.184 454 V CB 0.554 32.304 31.823 -0.120 0.000 0.941 454 V HN 0.759 nan 8.190 nan 0.000 0.493 455 A N 4.660 127.387 122.820 -0.154 0.000 2.524 455 A HA 0.793 5.113 4.320 0.000 0.000 0.286 455 A C -0.426 176.984 177.584 -0.290 0.000 1.203 455 A CA -0.123 51.809 52.037 -0.175 0.000 0.736 455 A CB 1.737 20.725 19.000 -0.020 0.000 1.322 455 A HN 1.053 nan 8.150 nan 0.000 0.424 456 S N -1.502 114.019 115.700 -0.298 0.000 2.585 456 S HA 0.446 4.917 4.470 0.000 0.000 0.277 456 S C -0.086 174.129 174.600 -0.640 0.000 1.241 456 S CA -0.182 57.870 58.200 -0.247 0.000 1.041 456 S CB 0.484 63.683 63.200 -0.002 0.000 0.987 456 S HN 0.661 nan 8.310 nan 0.000 0.512 457 Y N 3.213 123.192 120.300 -0.534 0.000 2.466 457 Y HA 0.168 4.718 4.550 0.000 0.000 0.272 457 Y C 0.213 175.730 175.900 -0.638 0.000 1.169 457 Y CA 0.448 58.072 58.100 -0.794 0.000 1.285 457 Y CB 0.180 38.295 38.460 -0.575 0.000 1.078 457 Y HN 0.846 nan 8.280 nan 0.000 0.523 458 W N -1.082 120.272 121.300 0.091 0.000 2.560 458 W HA -0.293 4.368 4.660 0.001 0.000 0.279 458 W C -0.079 176.510 176.519 0.118 0.000 1.090 458 W CA 1.061 58.517 57.345 0.185 0.000 0.535 458 W CB -2.693 26.869 29.460 0.171 0.000 2.121 458 W HN 0.436 nan 8.180 nan 0.000 1.314 459 H N -0.009 119.168 119.070 0.179 0.000 2.550 459 H HA 0.147 4.703 4.556 0.000 0.000 0.304 459 H C 1.036 176.462 175.328 0.163 0.000 1.086 459 H CA -0.229 55.882 56.048 0.105 0.000 1.089 459 H CB -0.302 29.557 29.762 0.161 0.000 1.528 459 H HN 0.046 nan 8.280 nan 0.000 0.539 460 Y N 1.199 121.739 120.300 0.401 0.000 2.652 460 Y HA 0.111 4.661 4.550 0.000 0.000 0.344 460 Y C 0.705 176.836 175.900 0.386 0.000 1.254 460 Y CA -0.613 57.619 58.100 0.219 0.000 1.480 460 Y CB 0.276 38.785 38.460 0.081 0.000 1.345 460 Y HN 0.235 nan 8.280 nan 0.000 0.617 461 H N -0.655 118.668 119.070 0.421 0.000 2.918 461 H HA 0.654 5.210 4.556 0.000 0.000 0.303 461 H C 0.123 175.646 175.328 0.326 0.000 1.380 461 H CA -1.126 55.118 56.048 0.326 0.000 1.134 461 H CB 1.165 31.102 29.762 0.293 0.000 1.842 461 H HN 1.419 nan 8.280 nan 0.000 0.533 462 G N -1.449 107.537 108.800 0.309 0.000 2.660 462 G HA2 0.302 4.262 3.960 0.000 0.000 0.247 462 G HA3 0.302 4.262 3.960 0.000 0.000 0.247 462 G C 0.634 175.646 174.900 0.188 0.000 1.328 462 G CA 1.558 46.798 45.100 0.234 0.000 0.884 462 G HN 2.002 nan 8.290 nan 0.000 0.531 463 G N -2.840 106.064 108.800 0.174 0.000 2.238 463 G HA2 0.068 4.028 3.960 0.000 0.000 0.217 463 G HA3 0.068 4.028 3.960 0.000 0.000 0.217 463 G C 1.117 176.068 174.900 0.086 0.000 0.996 463 G CA 1.617 46.786 45.100 0.114 0.000 0.632 463 G HN 2.459 nan 8.290 nan 0.000 0.503 464 C N 2.432 121.774 119.300 0.071 0.000 3.235 464 C HA 0.568 5.028 4.460 0.000 0.000 0.198 464 C C 0.719 175.699 174.990 -0.018 0.000 1.527 464 C CA -0.997 58.039 59.018 0.030 0.000 1.167 464 C CB -1.556 26.188 27.740 0.006 0.000 1.938 464 C HN 0.445 nan 8.230 nan 0.000 0.593 465 L N 2.074 123.291 121.223 -0.010 0.000 2.485 465 L HA 0.234 4.574 4.340 0.000 0.000 0.275 465 L C 0.602 177.361 176.870 -0.185 0.000 1.207 465 L CA 0.119 54.884 54.840 -0.125 0.000 0.855 465 L CB 0.503 42.472 42.059 -0.149 0.000 1.114 465 L HN 0.097 nan 8.230 nan 0.000 0.485 466 V N 2.867 122.587 119.914 -0.324 0.000 2.585 466 V HA 0.212 4.332 4.120 0.000 0.000 0.296 466 V C 1.147 177.120 176.094 -0.201 0.000 1.035 466 V CA 1.472 63.574 62.300 -0.329 0.000 1.084 466 V CB 0.578 32.116 31.823 -0.474 0.000 0.953 466 V HN 1.142 nan 8.190 nan 0.000 0.483 467 G N 4.405 113.117 108.800 -0.147 0.000 2.213 467 G HA2 -0.206 3.754 3.960 0.000 0.000 0.236 467 G HA3 -0.206 3.754 3.960 0.000 0.000 0.236 467 G C 0.889 175.732 174.900 -0.095 0.000 0.991 467 G CA 0.364 45.397 45.100 -0.113 0.000 0.629 467 G HN 0.576 nan 8.290 nan 0.000 0.517 468 K N -0.813 119.543 120.400 -0.074 0.000 2.380 468 K HA 0.498 4.818 4.320 0.000 0.000 0.200 468 K C 2.059 178.811 176.600 0.253 0.000 1.201 468 K CA 1.263 57.560 56.287 0.016 0.000 0.916 468 K CB 0.302 32.728 32.500 -0.122 0.000 1.187 468 K HN 0.411 nan 8.250 nan 0.000 0.498 469 V N 0.925 120.926 119.914 0.145 0.000 3.371 469 V HA 0.240 4.360 4.120 0.000 0.000 0.246 469 V C 0.806 176.940 176.094 0.067 0.000 1.303 469 V CA 0.173 62.562 62.300 0.149 0.000 1.156 469 V CB 0.663 32.490 31.823 0.007 0.000 0.929 469 V HN -0.018 nan 8.190 nan 0.000 0.459 470 L N 1.061 122.273 121.223 -0.019 0.000 2.313 470 L HA 0.597 4.938 4.340 0.000 0.000 0.268 470 L C -0.394 176.414 176.870 -0.104 0.000 1.010 470 L CA -0.838 53.962 54.840 -0.067 0.000 0.814 470 L CB 1.292 43.270 42.059 -0.135 0.000 1.304 470 L HN 0.258 nan 8.230 nan 0.000 0.441 471 D N -0.205 120.126 120.400 -0.115 0.000 2.529 471 D HA 0.172 4.812 4.640 0.000 0.000 0.273 471 D C 1.084 177.229 176.300 -0.259 0.000 1.197 471 D CA -0.423 53.498 54.000 -0.131 0.000 1.070 471 D CB 0.792 41.552 40.800 -0.067 0.000 1.134 471 D HN 0.552 nan 8.370 nan 0.000 0.590 472 G N -1.316 107.353 108.800 -0.218 0.000 2.586 472 G HA2 -0.140 3.820 3.960 0.000 0.000 0.215 472 G HA3 -0.140 3.820 3.960 0.000 0.000 0.215 472 G C 0.464 175.172 174.900 -0.319 0.000 1.128 472 G CA 0.347 45.272 45.100 -0.292 0.000 0.774 472 G HN 0.511 nan 8.290 nan 0.000 0.543 473 D N -0.392 119.894 120.400 -0.189 0.000 2.402 473 D HA 0.174 4.814 4.640 0.000 0.000 0.216 473 D C 0.360 176.768 176.300 0.180 0.000 1.128 473 D CA -0.524 53.483 54.000 0.010 0.000 0.833 473 D CB 0.193 41.007 40.800 0.024 0.000 0.971 473 D HN 0.259 nan 8.370 nan 0.000 0.503 474 F N 0.250 120.167 119.950 -0.055 0.000 2.884 474 F HA -0.274 4.253 4.527 0.001 0.000 0.294 474 F C 0.614 176.393 175.800 -0.036 0.000 0.723 474 F CA 0.342 58.308 58.000 -0.057 0.000 1.294 474 F CB -1.769 37.202 39.000 -0.049 0.000 1.551 474 F HN -0.087 nan 8.300 nan 0.000 0.363 475 R N 0.446 120.987 120.500 0.068 0.000 2.441 475 R HA 0.516 4.856 4.340 0.000 0.000 0.284 475 R C -0.024 176.300 176.300 0.039 0.000 1.070 475 R CA -0.710 55.427 56.100 0.062 0.000 1.047 475 R CB 1.181 31.510 30.300 0.048 0.000 1.016 475 R HN -0.041 nan 8.270 nan 0.000 0.477 476 V N 3.329 123.272 119.914 0.049 0.000 2.470 476 V HA -0.012 4.109 4.120 0.000 0.000 0.276 476 V C 0.935 177.088 176.094 0.100 0.000 1.040 476 V CA -0.180 62.136 62.300 0.027 0.000 1.008 476 V CB 0.840 32.662 31.823 -0.002 0.000 0.990 476 V HN 0.904 nan 8.190 nan 0.000 0.477 477 T N 2.217 116.870 114.554 0.165 0.000 2.940 477 T HA 0.412 4.762 4.350 0.000 0.000 0.309 477 T C 1.325 176.145 174.700 0.200 0.000 1.056 477 T CA 0.302 62.502 62.100 0.168 0.000 1.137 477 T CB 1.052 70.008 68.868 0.146 0.000 0.976 477 T HN 1.745 nan 8.240 nan 0.000 0.547 478 G N 2.255 111.105 108.800 0.084 0.000 2.205 478 G HA2 -0.206 3.754 3.960 0.000 0.000 0.261 478 G HA3 -0.206 3.754 3.960 0.000 0.000 0.261 478 G C 0.061 174.990 174.900 0.049 0.000 0.980 478 G CA 0.228 45.353 45.100 0.042 0.000 0.632 478 G HN 0.944 nan 8.290 nan 0.000 0.533 479 I N 0.904 121.524 120.570 0.082 0.000 2.533 479 I HA 0.351 4.521 4.170 0.000 0.000 0.290 479 I C -0.672 175.507 176.117 0.103 0.000 1.056 479 I CA -1.159 60.196 61.300 0.091 0.000 1.057 479 I CB 1.857 39.927 38.000 0.116 0.000 1.240 479 I HN -0.067 nan 8.210 nan 0.000 0.423 480 N N 3.772 122.534 118.700 0.102 0.000 2.493 480 N HA 0.438 5.178 4.740 0.000 0.000 0.275 480 N C 0.581 176.148 175.510 0.093 0.000 1.186 480 N CA 0.085 53.184 53.050 0.082 0.000 0.978 480 N CB 1.504 40.027 38.487 0.060 0.000 1.184 480 N HN 0.866 nan 8.380 nan 0.000 0.487 481 A N -0.410 122.448 122.820 0.063 0.000 2.832 481 A HA -0.205 4.115 4.320 0.000 0.000 0.280 481 A C -0.394 177.227 177.584 0.062 0.000 1.464 481 A CA 0.726 52.790 52.037 0.045 0.000 0.804 481 A CB -2.000 17.011 19.000 0.017 0.000 1.020 481 A HN 0.477 nan 8.150 nan 0.000 0.563 482 L N -0.772 120.503 121.223 0.087 0.000 2.476 482 L HA 0.802 5.142 4.340 0.000 0.000 0.269 482 L C -0.220 176.701 176.870 0.085 0.000 0.965 482 L CA -0.295 54.601 54.840 0.093 0.000 0.845 482 L CB 1.472 43.625 42.059 0.156 0.000 1.259 482 L HN 0.369 nan 8.230 nan 0.000 0.403 483 R N 3.238 123.783 120.500 0.074 0.000 2.888 483 R HA 0.879 5.219 4.340 0.000 0.000 0.264 483 R C -1.643 174.695 176.300 0.062 0.000 1.045 483 R CA -1.128 55.020 56.100 0.081 0.000 0.962 483 R CB 2.515 32.869 30.300 0.090 0.000 1.210 483 R HN 0.353 nan 8.270 nan 0.000 0.479 484 V N 1.543 121.508 119.914 0.084 0.000 2.577 484 V HA 0.419 4.539 4.120 0.000 0.000 0.303 484 V C -0.938 175.192 176.094 0.060 0.000 1.042 484 V CA -0.690 61.644 62.300 0.056 0.000 0.872 484 V CB 2.114 33.965 31.823 0.048 0.000 0.998 484 V HN 0.461 nan 8.190 nan 0.000 0.423 485 V N 5.062 124.961 119.914 -0.026 0.000 2.498 485 V HA 0.698 4.818 4.120 0.000 0.000 0.283 485 V C -0.825 175.213 176.094 -0.094 0.000 1.015 485 V CA -0.382 61.845 62.300 -0.122 0.000 0.867 485 V CB 1.321 33.017 31.823 -0.211 0.000 1.025 485 V HN 1.144 nan 8.190 nan 0.000 0.441 486 D N 2.968 123.318 120.400 -0.083 0.000 3.250 486 D HA 0.193 4.833 4.640 0.000 0.000 0.360 486 D C 1.083 177.234 176.300 -0.248 0.000 1.486 486 D CA 0.119 54.035 54.000 -0.139 0.000 0.835 486 D CB 0.622 41.365 40.800 -0.095 0.000 1.444 486 D HN 0.347 nan 8.370 nan 0.000 0.513 487 G N -0.916 107.589 108.800 -0.492 0.000 2.708 487 G HA2 -0.004 3.956 3.960 0.000 0.000 0.210 487 G HA3 -0.004 3.956 3.960 0.000 0.000 0.210 487 G C 1.050 175.908 174.900 -0.070 0.000 1.141 487 G CA 1.093 45.795 45.100 -0.662 0.000 0.788 487 G HN 0.679 nan 8.290 nan 0.000 0.531 488 S N 0.102 115.798 115.700 -0.008 0.000 2.562 488 S HA -0.069 4.402 4.470 0.000 0.000 0.221 488 S C 2.143 176.769 174.600 0.043 0.000 0.975 488 S CA 1.302 59.544 58.200 0.070 0.000 0.918 488 S CB -0.309 62.921 63.200 0.050 0.000 0.772 488 S HN 0.371 nan 8.310 nan 0.000 0.531 489 T N -1.624 112.926 114.554 -0.007 0.000 3.067 489 T HA 0.328 4.678 4.350 0.000 0.000 0.261 489 T C 0.090 174.470 174.700 -0.532 0.000 1.110 489 T CA -0.159 61.797 62.100 -0.241 0.000 1.113 489 T CB -0.541 68.172 68.868 -0.259 0.000 0.917 489 T HN 0.348 nan 8.240 nan 0.000 0.499 490 F N 1.111 121.161 119.950 0.165 0.000 2.588 490 F HA 0.479 5.006 4.527 0.000 0.000 0.314 490 F C -1.813 173.974 175.800 -0.022 0.000 1.069 490 F CA -2.607 55.423 58.000 0.050 0.000 0.931 490 F CB 2.182 41.228 39.000 0.077 0.000 1.260 490 F HN -0.308 nan 8.300 nan 0.000 0.465 491 P HA -0.066 nan 4.420 nan 0.000 0.224 491 P C -0.528 176.333 177.300 -0.731 0.000 1.157 491 P CA 1.335 64.016 63.100 -0.698 0.000 0.799 491 P CB 0.446 31.516 31.700 -1.051 0.000 0.809 492 Y N -1.413 118.848 120.300 -0.064 0.000 2.509 492 Y HA 0.388 4.938 4.550 0.000 0.000 0.341 492 Y C 1.104 176.764 175.900 -0.399 0.000 1.038 492 Y CA -1.290 56.746 58.100 -0.107 0.000 1.089 492 Y CB 1.356 39.741 38.460 -0.125 0.000 1.241 492 Y HN -0.364 nan 8.280 nan 0.000 0.468 493 T N 4.250 118.631 114.554 -0.288 0.000 2.901 493 T HA 0.070 4.420 4.350 0.000 0.000 0.301 493 T C -1.246 173.164 174.700 -0.484 0.000 1.012 493 T CA -1.452 60.358 62.100 -0.483 0.000 1.135 493 T CB 0.552 69.275 68.868 -0.243 0.000 0.936 493 T HN 0.523 nan 8.240 nan 0.000 0.539 494 P HA 0.209 nan 4.420 nan 0.000 0.225 494 P C 0.009 176.802 177.300 -0.845 0.000 1.156 494 P CA 0.373 62.940 63.100 -0.889 0.000 0.787 494 P CB 0.297 31.218 31.700 -1.297 0.000 0.802 495 A N -0.609 121.724 122.820 -0.812 0.000 2.467 495 A HA 0.433 4.753 4.320 0.000 0.000 0.301 495 A C 1.141 178.208 177.584 -0.862 0.000 1.126 495 A CA 0.339 51.717 52.037 -1.098 0.000 0.632 495 A CB -0.127 18.436 19.000 -0.729 0.000 1.331 495 A HN -0.075 nan 8.150 nan 0.000 0.482 496 S N -0.564 114.668 115.700 -0.780 0.000 2.399 496 S HA -0.038 4.433 4.470 0.000 0.000 0.231 496 S C 0.464 174.790 174.600 -0.456 0.000 1.022 496 S CA 1.976 59.848 58.200 -0.547 0.000 0.983 496 S CB -0.511 62.597 63.200 -0.153 0.000 0.803 496 S HN 0.753 nan 8.310 nan 0.000 0.480 497 H N 0.902 119.841 119.070 -0.217 0.000 2.924 497 H HA 0.395 4.951 4.556 0.000 0.000 0.333 497 H C -2.183 172.894 175.328 -0.419 0.000 0.979 497 H CA -1.501 54.407 56.048 -0.234 0.000 1.326 497 H CB 1.936 31.652 29.762 -0.077 0.000 1.600 497 H HN 0.048 nan 8.280 nan 0.000 0.520 498 P HA -0.130 nan 4.420 nan 0.000 0.236 498 P C 1.062 178.012 177.300 -0.584 0.000 1.177 498 P CA 0.602 63.322 63.100 -0.633 0.000 0.773 498 P CB 0.618 31.886 31.700 -0.721 0.000 0.878 499 Q N 0.399 120.039 119.800 -0.268 0.000 2.135 499 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 499 Q C 2.210 178.176 176.000 -0.057 0.000 0.981 499 Q CA 2.165 57.934 55.803 -0.057 0.000 0.856 499 Q CB -1.679 27.091 28.738 0.052 0.000 0.902 499 Q HN 0.124 nan 8.270 nan 0.000 0.425 500 G N 0.525 109.179 108.800 -0.243 0.000 2.446 500 G HA2 -0.308 3.653 3.960 0.000 0.000 0.217 500 G HA3 -0.308 3.653 3.960 0.000 0.000 0.217 500 G C 1.143 176.083 174.900 0.067 0.000 1.168 500 G CA 0.800 45.726 45.100 -0.289 0.000 0.771 500 G HN 0.471 nan 8.290 nan 0.000 0.551 501 F N 0.533 120.359 119.950 -0.206 0.000 2.146 501 F HA 0.026 4.554 4.527 0.000 0.000 0.298 501 F C 2.507 178.293 175.800 -0.022 0.000 1.096 501 F CA 1.144 59.057 58.000 -0.145 0.000 1.275 501 F CB -0.234 38.529 39.000 -0.395 0.000 1.008 501 F HN 0.278 nan 8.300 nan 0.000 0.480 502 Y N -0.344 119.967 120.300 0.018 0.000 2.293 502 Y HA -0.183 4.367 4.550 0.000 0.000 0.291 502 Y C 2.325 178.188 175.900 -0.063 0.000 1.137 502 Y CA 0.576 58.646 58.100 -0.050 0.000 1.202 502 Y CB -0.337 38.163 38.460 0.066 0.000 0.990 502 Y HN 0.070 nan 8.280 nan 0.000 0.537 503 L N -0.646 120.669 121.223 0.153 0.000 2.027 503 L HA -0.252 4.088 4.340 0.000 0.000 0.206 503 L C 2.666 179.582 176.870 0.077 0.000 1.074 503 L CA 0.919 55.849 54.840 0.150 0.000 0.745 503 L CB -0.443 41.754 42.059 0.229 0.000 0.898 503 L HN 0.335 nan 8.230 nan 0.000 0.433 504 M N -0.076 119.525 119.600 0.001 0.000 2.086 504 M HA -0.219 4.261 4.480 0.000 0.000 0.261 504 M C 2.347 178.526 176.300 -0.201 0.000 1.067 504 M CA 1.979 57.180 55.300 -0.165 0.000 1.116 504 M CB -0.561 31.734 32.600 -0.509 0.000 1.348 504 M HN 0.252 nan 8.290 nan 0.000 0.407 505 L N 0.888 121.934 121.223 -0.295 0.000 2.043 505 L HA -0.090 4.250 4.340 0.000 0.000 0.212 505 L C 2.331 179.111 176.870 -0.151 0.000 1.075 505 L CA 2.399 57.090 54.840 -0.249 0.000 0.752 505 L CB -1.402 40.468 42.059 -0.315 0.000 0.891 505 L HN 0.407 nan 8.230 nan 0.000 0.432 506 G N -0.907 107.824 108.800 -0.115 0.000 2.459 506 G HA2 -0.365 3.595 3.960 0.000 0.000 0.217 506 G HA3 -0.365 3.595 3.960 0.000 0.000 0.217 506 G C 1.805 176.616 174.900 -0.148 0.000 1.183 506 G CA 0.916 45.950 45.100 -0.111 0.000 0.776 506 G HN 0.458 nan 8.290 nan 0.000 0.552 507 R N -1.086 119.312 120.500 -0.171 0.000 2.090 507 R HA -0.055 4.286 4.340 0.000 0.000 0.228 507 R C 2.257 178.400 176.300 -0.262 0.000 1.110 507 R CA 1.113 57.021 56.100 -0.320 0.000 0.973 507 R CB -0.513 29.424 30.300 -0.606 0.000 0.869 507 R HN 0.437 nan 8.270 nan 0.000 0.440 508 Y N 0.735 120.873 120.300 -0.270 0.000 2.097 508 Y HA -0.259 4.291 4.550 0.000 0.000 0.282 508 Y C 1.965 177.750 175.900 -0.192 0.000 1.152 508 Y CA 2.077 60.060 58.100 -0.195 0.000 1.136 508 Y CB -0.297 38.110 38.460 -0.088 0.000 0.975 508 Y HN -0.131 nan 8.280 nan 0.000 0.498 509 V N 0.123 119.977 119.914 -0.100 0.000 2.515 509 V HA -0.239 3.881 4.120 0.000 0.000 0.250 509 V C 2.590 178.538 176.094 -0.244 0.000 1.058 509 V CA 1.722 63.901 62.300 -0.202 0.000 1.064 509 V CB -1.550 30.093 31.823 -0.299 0.000 0.675 509 V HN 0.657 nan 8.190 nan 0.000 0.461 510 G N 0.350 108.998 108.800 -0.253 0.000 2.440 510 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 510 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 510 G C 1.468 176.207 174.900 -0.269 0.000 1.154 510 G CA 0.891 45.831 45.100 -0.267 0.000 0.767 510 G HN 0.388 nan 8.290 nan 0.000 0.552 511 I N 0.790 121.175 120.570 -0.309 0.000 2.315 511 I HA -0.052 4.118 4.170 0.000 0.000 0.248 511 I C 2.522 178.476 176.117 -0.271 0.000 1.117 511 I CA 0.993 62.118 61.300 -0.293 0.000 1.404 511 I CB -0.661 37.133 38.000 -0.343 0.000 1.071 511 I HN 0.096 nan 8.210 nan 0.000 0.419 512 K N 0.776 120.973 120.400 -0.339 0.000 2.097 512 K HA -0.064 4.257 4.320 0.000 0.000 0.206 512 K C 2.107 178.617 176.600 -0.150 0.000 1.049 512 K CA 1.152 57.283 56.287 -0.260 0.000 0.933 512 K CB -0.376 31.963 32.500 -0.269 0.000 0.717 512 K HN 0.359 nan 8.250 nan 0.000 0.442 513 I N 0.868 121.347 120.570 -0.152 0.000 2.252 513 I HA -0.230 3.940 4.170 0.000 0.000 0.245 513 I C 2.218 178.294 176.117 -0.069 0.000 1.102 513 I CA 0.849 62.084 61.300 -0.107 0.000 1.385 513 I CB -0.208 37.685 38.000 -0.178 0.000 1.064 513 I HN 0.022 nan 8.210 nan 0.000 0.414 514 L N 0.005 121.178 121.223 -0.084 0.000 2.093 514 L HA -0.206 4.134 4.340 0.000 0.000 0.208 514 L C 2.564 179.435 176.870 0.002 0.000 1.085 514 L CA 1.293 56.134 54.840 0.002 0.000 0.755 514 L CB -0.561 41.481 42.059 -0.029 0.000 0.904 514 L HN 0.328 nan 8.230 nan 0.000 0.435 515 Q N -0.313 119.456 119.800 -0.051 0.000 2.167 515 Q HA -0.237 4.103 4.340 0.000 0.000 0.202 515 Q C 2.013 178.002 176.000 -0.018 0.000 0.970 515 Q CA 1.305 57.082 55.803 -0.043 0.000 0.855 515 Q CB -0.027 28.665 28.738 -0.077 0.000 0.911 515 Q HN 0.509 nan 8.270 nan 0.000 0.438 516 E N 0.576 120.765 120.200 -0.019 0.000 2.107 516 E HA -0.153 4.197 4.350 0.000 0.000 0.191 516 E C 1.996 178.609 176.600 0.021 0.000 0.982 516 E CA 0.479 56.877 56.400 -0.003 0.000 0.809 516 E CB 0.295 29.992 29.700 -0.006 0.000 0.756 516 E HN 0.101 nan 8.360 nan 0.000 0.459 517 R N 0.259 120.786 120.500 0.044 0.000 2.092 517 R HA -0.004 4.336 4.340 0.000 0.000 0.231 517 R C 2.453 178.809 176.300 0.093 0.000 1.119 517 R CA 1.059 57.209 56.100 0.083 0.000 0.970 517 R CB -0.734 29.662 30.300 0.160 0.000 0.864 517 R HN 0.119 nan 8.270 nan 0.000 0.440 518 S N 1.053 116.798 115.700 0.076 0.000 2.368 518 S HA -0.108 4.362 4.470 0.000 0.000 0.225 518 S C 1.981 176.601 174.600 0.033 0.000 1.030 518 S CA 1.300 59.531 58.200 0.052 0.000 0.999 518 S CB -0.135 63.081 63.200 0.026 0.000 0.844 518 S HN 0.471 nan 8.310 nan 0.000 0.459 519 A N 1.395 124.228 122.820 0.022 0.000 2.066 519 A HA -0.003 4.318 4.320 0.000 0.000 0.218 519 A C 2.194 179.789 177.584 0.018 0.000 1.157 519 A CA 1.472 53.517 52.037 0.014 0.000 0.670 519 A CB -0.509 18.494 19.000 0.006 0.000 0.804 519 A HN 0.581 nan 8.150 nan 0.000 0.453 520 S N -0.448 115.267 115.700 0.025 0.000 2.558 520 S HA 0.041 4.511 4.470 0.000 0.000 0.217 520 S C 0.333 174.951 174.600 0.030 0.000 0.975 520 S CA -0.154 58.060 58.200 0.023 0.000 0.912 520 S CB -0.188 63.025 63.200 0.021 0.000 0.776 520 S HN 0.432 nan 8.310 nan 0.000 0.526 521 D N 0.000 120.424 120.400 0.040 0.000 6.856 521 D HA 0.000 4.640 4.640 0.000 0.000 0.175 521 D CA 0.000 54.025 54.000 0.042 0.000 0.868 521 D CB 0.000 40.831 40.800 0.052 0.000 0.688 521 D HN 0.000 nan 8.370 nan 0.000 0.683