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_B 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 0.000 176.711 176.870 -0.265 0.000 1.165 1 L CA 0.000 54.717 54.840 -0.205 0.000 0.813 1 L CB 0.000 41.989 42.059 -0.117 0.000 0.961 2 A N 0.254 122.789 122.820 -0.475 0.000 2.242 2 A HA 0.885 5.205 4.320 -0.000 0.000 0.304 2 A C -0.310 177.152 177.584 -0.204 0.000 1.100 2 A CA -0.278 51.488 52.037 -0.452 0.000 0.860 2 A CB 1.007 19.546 19.000 -0.768 0.000 1.168 2 A HN 0.589 nan 8.150 nan 0.000 0.503 3 T N 1.218 115.759 114.554 -0.021 0.000 2.823 3 T HA 0.445 4.795 4.350 -0.000 0.000 0.279 3 T C 0.029 174.849 174.700 0.201 0.000 0.998 3 T CA -0.130 62.030 62.100 0.099 0.000 0.994 3 T CB 1.012 69.891 68.868 0.018 0.000 0.960 3 T HN 0.654 nan 8.240 nan 0.000 0.448 4 T N 3.948 118.590 114.554 0.146 0.000 2.867 4 T HA 0.298 4.648 4.350 -0.000 0.000 0.290 4 T C 0.466 175.179 174.700 0.021 0.000 1.025 4 T CA 0.248 62.338 62.100 -0.017 0.000 1.146 4 T CB -0.188 68.649 68.868 -0.051 0.000 1.024 4 T HN 0.872 nan 8.240 nan 0.000 0.519 5 S N 1.816 117.543 115.700 0.045 0.000 2.636 5 S HA 0.412 4.882 4.470 -0.000 0.000 0.266 5 S C -1.733 172.972 174.600 0.175 0.000 1.147 5 S CA -1.292 56.959 58.200 0.084 0.000 0.815 5 S CB 1.097 64.332 63.200 0.059 0.000 1.119 5 S HN 0.450 nan 8.310 nan 0.000 0.470 6 D N 1.100 121.572 120.400 0.119 0.000 2.368 6 D HA 0.240 4.880 4.640 -0.000 0.000 0.240 6 D C 0.092 176.472 176.300 0.134 0.000 1.169 6 D CA 0.451 54.516 54.000 0.108 0.000 0.906 6 D CB -0.016 40.834 40.800 0.082 0.000 1.187 6 D HN 0.709 nan 8.370 nan 0.000 0.435 7 H N 0.749 119.764 119.070 -0.092 0.000 3.004 7 H HA -0.014 4.542 4.556 -0.000 0.000 0.316 7 H C -0.331 174.822 175.328 -0.291 0.000 1.014 7 H CA 0.116 55.998 56.048 -0.277 0.000 1.454 7 H CB 0.444 29.931 29.762 -0.459 0.000 1.472 7 H HN 0.053 nan 8.280 nan 0.000 0.571 8 D N 4.940 125.113 120.400 -0.379 0.000 2.352 8 D HA -0.022 4.618 4.640 -0.000 0.000 0.245 8 D C -0.456 175.676 176.300 -0.279 0.000 1.224 8 D CA 0.029 53.899 54.000 -0.217 0.000 0.879 8 D CB -0.228 40.496 40.800 -0.127 0.000 1.057 8 D HN 0.549 nan 8.370 nan 0.000 0.491 9 F N 1.798 121.703 119.950 -0.076 0.000 2.730 9 F HA 0.093 4.620 4.527 -0.000 0.000 0.295 9 F C 2.150 177.657 175.800 -0.488 0.000 1.143 9 F CA -0.403 57.368 58.000 -0.381 0.000 1.367 9 F CB 0.426 39.243 39.000 -0.304 0.000 0.970 9 F HN 0.247 nan 8.300 nan 0.000 0.514 10 S N -0.287 115.340 115.700 -0.123 0.000 2.419 10 S HA -0.259 4.211 4.470 -0.000 0.000 0.235 10 S C 1.837 176.310 174.600 -0.211 0.000 1.019 10 S CA 1.387 59.528 58.200 -0.099 0.000 0.982 10 S CB -0.519 62.685 63.200 0.006 0.000 0.789 10 S HN 0.722 nan 8.310 nan 0.000 0.490 11 Y N 1.076 121.240 120.300 -0.225 0.000 2.574 11 Y HA 0.150 4.699 4.550 -0.000 0.000 0.294 11 Y C 1.446 176.800 175.900 -0.911 0.000 1.142 11 Y CA 0.162 57.795 58.100 -0.777 0.000 1.314 11 Y CB -0.998 37.163 38.460 -0.500 0.000 0.991 11 Y HN 0.120 nan 8.280 nan 0.000 0.555 12 L N 0.828 121.613 121.223 -0.731 0.000 2.353 12 L HA -0.192 4.148 4.340 -0.000 0.000 0.220 12 L C 2.624 179.255 176.870 -0.398 0.000 1.133 12 L CA 1.425 55.969 54.840 -0.494 0.000 0.798 12 L CB -0.757 41.048 42.059 -0.423 0.000 0.922 12 L HN 0.540 nan 8.230 nan 0.000 0.445 13 S N 0.765 116.248 115.700 -0.362 0.000 2.442 13 S HA -0.178 4.292 4.470 -0.000 0.000 0.236 13 S C 1.230 175.770 174.600 -0.101 0.000 1.007 13 S CA 0.883 58.979 58.200 -0.173 0.000 0.965 13 S CB -0.504 62.685 63.200 -0.018 0.000 0.773 13 S HN 0.573 nan 8.310 nan 0.000 0.504 14 F N 0.203 120.128 119.950 -0.041 0.000 2.805 14 F HA 0.842 5.369 4.527 -0.000 0.000 0.317 14 F C 0.112 175.895 175.800 -0.028 0.000 1.146 14 F CA -1.580 56.430 58.000 0.017 0.000 1.265 14 F CB -0.248 38.866 39.000 0.190 0.000 0.992 14 F HN 0.253 nan 8.300 nan 0.000 0.511 15 A N 0.748 123.402 122.820 -0.277 0.000 2.304 15 A HA 0.768 5.088 4.320 -0.000 0.000 0.323 15 A C -1.595 175.767 177.584 -0.370 0.000 1.195 15 A CA -0.400 51.573 52.037 -0.107 0.000 0.826 15 A CB 0.530 19.508 19.000 -0.037 0.000 1.184 15 A HN 0.387 nan 8.150 nan 0.000 0.496 16 Y N 0.222 120.572 120.300 0.083 0.000 2.553 16 Y HA 0.372 4.922 4.550 -0.000 0.000 0.347 16 Y C 0.062 175.996 175.900 0.057 0.000 1.019 16 Y CA -1.074 57.071 58.100 0.075 0.000 1.032 16 Y CB 1.513 40.034 38.460 0.101 0.000 1.284 16 Y HN 0.715 nan 8.280 nan 0.000 0.466 17 D N 0.930 121.469 120.400 0.231 0.000 2.345 17 D HA 0.226 4.866 4.640 -0.000 0.000 0.247 17 D C 0.890 177.304 176.300 0.190 0.000 1.108 17 D CA 0.369 54.487 54.000 0.196 0.000 0.894 17 D CB 2.006 42.936 40.800 0.215 0.000 1.203 17 D HN 0.813 nan 8.370 nan 0.000 0.430 18 A N 2.887 125.792 122.820 0.143 0.000 2.032 18 A HA -0.218 4.102 4.320 -0.000 0.000 0.221 18 A C 2.026 179.658 177.584 0.080 0.000 1.165 18 A CA 2.391 54.476 52.037 0.080 0.000 0.645 18 A CB -0.886 18.148 19.000 0.057 0.000 0.807 18 A HN 0.769 nan 8.150 nan 0.000 0.453 19 T N -3.044 111.599 114.554 0.149 0.000 2.962 19 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 19 T C 0.963 175.798 174.700 0.225 0.000 1.088 19 T CA 1.409 63.628 62.100 0.198 0.000 1.127 19 T CB -0.216 68.741 68.868 0.148 0.000 0.883 19 T HN 0.439 nan 8.240 nan 0.000 0.493 20 D N 0.513 121.040 120.400 0.212 0.000 2.360 20 D HA 0.288 4.928 4.640 -0.000 0.000 0.210 20 D C 0.547 176.950 176.300 0.172 0.000 1.047 20 D CA -0.044 54.076 54.000 0.199 0.000 0.854 20 D CB 0.310 41.249 40.800 0.232 0.000 0.936 20 D HN 0.423 nan 8.370 nan 0.000 0.514 21 L N 2.274 123.623 121.223 0.211 0.000 2.418 21 L HA 0.084 4.424 4.340 -0.000 0.000 0.265 21 L C 1.141 178.186 176.870 0.292 0.000 1.143 21 L CA -0.782 54.173 54.840 0.192 0.000 0.809 21 L CB 0.684 42.886 42.059 0.239 0.000 1.124 21 L HN -0.023 nan 8.230 nan 0.000 0.456 22 E N 2.852 123.178 120.200 0.209 0.000 2.418 22 E HA -0.045 4.305 4.350 -0.000 0.000 0.261 22 E C 0.590 177.299 176.600 0.181 0.000 1.070 22 E CA -0.024 56.468 56.400 0.154 0.000 0.931 22 E CB 0.737 30.501 29.700 0.106 0.000 0.954 22 E HN 0.557 nan 8.360 nan 0.000 0.439 23 L N -0.031 121.177 121.223 -0.025 0.000 2.156 23 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 23 L C 1.320 178.171 176.870 -0.031 0.000 1.095 23 L CA 1.141 55.851 54.840 -0.216 0.000 0.770 23 L CB -0.176 41.743 42.059 -0.234 0.000 0.914 23 L HN 0.643 nan 8.230 nan 0.000 0.439 24 E N -0.146 120.094 120.200 0.067 0.000 2.283 24 E HA 0.435 4.785 4.350 -0.000 0.000 0.258 24 E C -0.751 175.955 176.600 0.177 0.000 0.893 24 E CA -0.349 56.146 56.400 0.157 0.000 0.798 24 E CB 1.523 31.303 29.700 0.133 0.000 1.242 24 E HN 0.077 nan 8.360 nan 0.000 0.414 25 G N 1.359 110.319 108.800 0.268 0.000 2.473 25 G HA2 0.500 4.460 3.960 -0.000 0.000 0.321 25 G HA3 0.500 4.460 3.960 -0.000 0.000 0.321 25 G C -1.200 173.808 174.900 0.179 0.000 1.200 25 G CA -0.572 44.644 45.100 0.194 0.000 0.963 25 G HN 0.310 nan 8.290 nan 0.000 0.483 26 S N -0.218 115.379 115.700 -0.171 0.000 2.561 26 S HA 0.794 5.264 4.470 -0.000 0.000 0.303 26 S C -1.415 172.912 174.600 -0.454 0.000 1.110 26 S CA -0.608 57.525 58.200 -0.111 0.000 1.034 26 S CB 0.487 63.638 63.200 -0.083 0.000 1.010 26 S HN 0.443 nan 8.310 nan 0.000 0.482 27 Y N 1.327 121.663 120.300 0.061 0.000 2.705 27 Y HA 0.458 5.007 4.550 -0.000 0.000 0.332 27 Y C 0.975 176.863 175.900 -0.020 0.000 1.157 27 Y CA -0.973 57.150 58.100 0.039 0.000 1.091 27 Y CB 0.867 39.358 38.460 0.050 0.000 1.301 27 Y HN 0.492 nan 8.280 nan 0.000 0.488 28 D N -0.542 119.950 120.400 0.154 0.000 2.216 28 D HA 0.007 4.647 4.640 -0.000 0.000 0.208 28 D C -0.755 175.251 176.300 -0.491 0.000 0.960 28 D CA 1.576 55.488 54.000 -0.147 0.000 0.861 28 D CB 0.366 41.169 40.800 0.005 0.000 0.985 28 D HN 0.329 nan 8.370 nan 0.000 0.493 29 Y N -0.367 119.982 120.300 0.080 0.000 2.457 29 Y HA 0.409 4.959 4.550 -0.000 0.000 0.343 29 Y C -0.423 175.461 175.900 -0.027 0.000 0.994 29 Y CA -0.932 57.174 58.100 0.009 0.000 1.031 29 Y CB 2.364 40.812 38.460 -0.020 0.000 1.246 29 Y HN -0.416 nan 8.280 nan 0.000 0.449 30 V N 5.136 125.092 119.914 0.069 0.000 2.444 30 V HA 0.457 4.577 4.120 -0.000 0.000 0.294 30 V C -0.415 175.658 176.094 -0.033 0.000 1.022 30 V CA -0.751 61.519 62.300 -0.051 0.000 0.850 30 V CB 1.482 33.260 31.823 -0.075 0.000 0.992 30 V HN 0.596 nan 8.190 nan 0.000 0.426 31 I N 5.097 125.626 120.570 -0.068 0.000 2.339 31 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 31 I C -0.378 175.690 176.117 -0.082 0.000 0.994 31 I CA -0.822 60.444 61.300 -0.057 0.000 1.191 31 I CB 2.017 39.986 38.000 -0.052 0.000 1.343 31 I HN 0.262 nan 8.210 nan 0.000 0.458 32 V N 5.661 125.536 119.914 -0.064 0.000 2.368 32 V HA 0.637 4.757 4.120 -0.000 0.000 0.266 32 V C 0.550 176.616 176.094 -0.048 0.000 1.045 32 V CA -0.281 61.980 62.300 -0.065 0.000 0.899 32 V CB 0.487 32.281 31.823 -0.049 0.000 1.006 32 V HN 1.073 nan 8.190 nan 0.000 0.470 33 G N 3.617 112.386 108.800 -0.051 0.000 3.238 33 G HA2 0.063 4.023 3.960 -0.000 0.000 0.684 33 G HA3 0.063 4.023 3.960 -0.000 0.000 0.684 33 G C 0.109 174.991 174.900 -0.030 0.000 1.156 33 G CA -0.563 44.518 45.100 -0.031 0.000 1.048 33 G HN 1.261 nan 8.290 nan 0.000 0.462 34 G N 1.017 109.800 108.800 -0.028 0.000 3.636 34 G HA2 0.659 4.619 3.960 -0.000 0.000 0.260 34 G HA3 0.659 4.619 3.960 -0.000 0.000 0.260 34 G C 0.859 175.756 174.900 -0.006 0.000 1.014 34 G CA 0.846 45.931 45.100 -0.025 0.000 1.797 34 G HN 1.217 nan 8.290 nan 0.000 0.637 35 G N 0.102 108.904 108.800 0.004 0.000 2.890 35 G HA2 0.384 4.344 3.960 -0.000 0.000 0.189 35 G HA3 0.384 4.344 3.960 -0.000 0.000 0.189 35 G C 1.178 176.101 174.900 0.038 0.000 1.342 35 G CA 0.376 45.492 45.100 0.027 0.000 1.026 35 G HN 0.143 nan 8.290 nan 0.000 0.579 36 T N 0.613 115.204 114.554 0.062 0.000 2.652 36 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 36 T C 2.660 177.409 174.700 0.082 0.000 1.039 36 T CA 2.144 64.300 62.100 0.093 0.000 1.153 36 T CB -0.311 68.643 68.868 0.142 0.000 0.863 36 T HN 0.260 nan 8.240 nan 0.000 0.428 37 S N 0.382 116.110 115.700 0.047 0.000 2.421 37 S HA 0.152 4.622 4.470 -0.000 0.000 0.224 37 S C 2.449 177.041 174.600 -0.014 0.000 1.035 37 S CA 0.625 58.833 58.200 0.012 0.000 0.953 37 S CB -0.544 62.636 63.200 -0.033 0.000 0.810 37 S HN 0.604 nan 8.310 nan 0.000 0.497 38 G N 0.838 109.629 108.800 -0.015 0.000 2.440 38 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 38 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 38 G C 1.571 176.460 174.900 -0.018 0.000 1.154 38 G CA 1.240 46.324 45.100 -0.026 0.000 0.767 38 G HN 0.544 nan 8.290 nan 0.000 0.552 39 C N 1.387 120.688 119.300 0.002 0.000 2.436 39 C HA 0.002 4.462 4.460 -0.000 0.000 0.277 39 C C 0.861 175.882 174.990 0.051 0.000 1.241 39 C CA 1.487 60.511 59.018 0.009 0.000 1.721 39 C CB -0.802 26.935 27.740 -0.005 0.000 2.043 39 C HN 0.415 nan 8.230 nan 0.000 0.472 40 P HA -0.087 nan 4.420 nan 0.000 0.219 40 P C 1.634 178.932 177.300 -0.004 0.000 1.150 40 P CA 1.229 64.419 63.100 0.150 0.000 0.814 40 P CB -0.223 31.597 31.700 0.200 0.000 0.787 41 L N 0.474 121.666 121.223 -0.051 0.000 2.017 41 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 41 L C 2.518 179.323 176.870 -0.109 0.000 1.073 41 L CA 2.194 56.965 54.840 -0.116 0.000 0.745 41 L CB -1.599 40.391 42.059 -0.116 0.000 0.894 41 L HN -0.092 nan 8.230 nan 0.000 0.432 42 A N -0.283 122.500 122.820 -0.061 0.000 1.902 42 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 42 A C 2.466 180.033 177.584 -0.030 0.000 1.181 42 A CA 1.939 53.947 52.037 -0.049 0.000 0.623 42 A CB -1.279 17.707 19.000 -0.024 0.000 0.818 42 A HN 0.615 nan 8.150 nan 0.000 0.443 43 A N -1.040 121.793 122.820 0.023 0.000 1.902 43 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 43 A C 2.316 179.919 177.584 0.031 0.000 1.181 43 A CA 2.345 54.426 52.037 0.074 0.000 0.623 43 A CB -1.285 17.843 19.000 0.214 0.000 0.818 43 A HN 0.436 nan 8.150 nan 0.000 0.443 44 T N 0.507 115.032 114.554 -0.049 0.000 2.708 44 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 44 T C 1.806 176.429 174.700 -0.127 0.000 1.037 44 T CA 1.530 63.541 62.100 -0.148 0.000 1.146 44 T CB -0.397 68.298 68.868 -0.288 0.000 0.865 44 T HN 0.366 nan 8.240 nan 0.000 0.435 45 L N 1.656 122.787 121.223 -0.152 0.000 2.131 45 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 45 L C 2.791 179.647 176.870 -0.023 0.000 1.092 45 L CA 1.288 56.031 54.840 -0.162 0.000 0.759 45 L CB -0.701 41.141 42.059 -0.362 0.000 0.903 45 L HN 0.371 nan 8.230 nan 0.000 0.435 46 S N -0.880 114.806 115.700 -0.023 0.000 2.507 46 S HA -0.155 4.315 4.470 -0.000 0.000 0.235 46 S C 1.535 176.120 174.600 -0.025 0.000 0.988 46 S CA 0.730 58.928 58.200 -0.004 0.000 0.944 46 S CB -0.331 62.839 63.200 -0.051 0.000 0.762 46 S HN 0.481 nan 8.310 nan 0.000 0.526 47 E N 1.134 121.315 120.200 -0.032 0.000 2.204 47 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 47 E C 1.728 178.273 176.600 -0.092 0.000 0.990 47 E CA 1.053 57.426 56.400 -0.044 0.000 0.821 47 E CB 0.005 29.681 29.700 -0.040 0.000 0.750 47 E HN 0.658 nan 8.360 nan 0.000 0.477 48 K N -1.684 118.632 120.400 -0.140 0.000 2.544 48 K HA 0.155 4.475 4.320 -0.000 0.000 0.213 48 K C -0.279 175.984 176.600 -0.562 0.000 1.392 48 K CA -0.014 56.055 56.287 -0.363 0.000 0.980 48 K CB 0.955 33.162 32.500 -0.488 0.000 1.177 48 K HN -0.051 nan 8.250 nan 0.000 0.570 49 Y N 1.057 121.391 120.300 0.057 0.000 2.630 49 Y HA 0.340 4.889 4.550 -0.000 0.000 0.337 49 Y C -0.103 175.873 175.900 0.128 0.000 1.051 49 Y CA -1.382 56.793 58.100 0.126 0.000 1.121 49 Y CB 0.960 39.588 38.460 0.280 0.000 1.299 49 Y HN -0.418 nan 8.280 nan 0.000 0.498 50 K N 1.955 122.561 120.400 0.344 0.000 2.316 50 K HA 0.412 4.732 4.320 -0.000 0.000 0.289 50 K C -1.062 175.751 176.600 0.355 0.000 1.070 50 K CA -0.168 56.288 56.287 0.282 0.000 0.928 50 K CB 0.806 33.447 32.500 0.234 0.000 1.039 50 K HN 0.378 nan 8.250 nan 0.000 0.480 51 V N 4.005 124.068 119.914 0.247 0.000 2.680 51 V HA 0.428 4.548 4.120 -0.000 0.000 0.309 51 V C -0.729 175.324 176.094 -0.068 0.000 1.052 51 V CA -1.159 61.221 62.300 0.133 0.000 0.908 51 V CB 2.009 33.875 31.823 0.072 0.000 1.001 51 V HN 0.546 nan 8.190 nan 0.000 0.431 52 L N 5.057 126.092 121.223 -0.313 0.000 2.381 52 L HA 0.762 5.102 4.340 -0.000 0.000 0.274 52 L C -0.785 175.915 176.870 -0.283 0.000 0.988 52 L CA -0.089 54.442 54.840 -0.515 0.000 0.824 52 L CB 1.899 43.231 42.059 -1.212 0.000 1.263 52 L HN 0.445 nan 8.230 nan 0.000 0.410 53 V N 6.330 126.138 119.914 -0.177 0.000 2.435 53 V HA 0.493 4.613 4.120 -0.000 0.000 0.290 53 V C -0.201 175.792 176.094 -0.169 0.000 1.030 53 V CA -0.496 61.727 62.300 -0.129 0.000 0.881 53 V CB 1.646 33.436 31.823 -0.054 0.000 0.983 53 V HN 0.607 nan 8.190 nan 0.000 0.445 54 L N 4.278 125.385 121.223 -0.193 0.000 2.319 54 L HA 0.641 4.981 4.340 -0.000 0.000 0.281 54 L C -0.492 176.292 176.870 -0.143 0.000 1.005 54 L CA -0.414 54.279 54.840 -0.245 0.000 0.828 54 L CB 1.790 43.624 42.059 -0.375 0.000 1.227 54 L HN 0.624 nan 8.230 nan 0.000 0.415 55 E N 2.616 122.750 120.200 -0.110 0.000 2.210 55 E HA 0.306 4.656 4.350 -0.000 0.000 0.266 55 E C 0.657 177.235 176.600 -0.036 0.000 0.883 55 E CA -0.737 55.627 56.400 -0.059 0.000 0.761 55 E CB 1.350 31.023 29.700 -0.044 0.000 1.156 55 E HN 0.516 nan 8.360 nan 0.000 0.412 56 R N 2.681 123.180 120.500 -0.002 0.000 2.115 56 R HA 0.152 4.492 4.340 -0.000 0.000 0.230 56 R C 0.960 177.307 176.300 0.078 0.000 1.111 56 R CA 0.877 57.002 56.100 0.041 0.000 0.976 56 R CB -0.233 30.093 30.300 0.042 0.000 0.870 56 R HN 0.342 nan 8.270 nan 0.000 0.445 57 G N 0.490 109.317 108.800 0.045 0.000 2.535 57 G HA2 0.336 4.296 3.960 -0.000 0.000 0.282 57 G HA3 0.336 4.296 3.960 -0.000 0.000 0.282 57 G C -0.777 174.102 174.900 -0.036 0.000 1.350 57 G CA -0.705 44.435 45.100 0.067 0.000 1.039 57 G HN 0.222 nan 8.290 nan 0.000 0.509 58 S N -1.508 114.213 115.700 0.035 0.000 2.713 58 S HA 0.461 4.931 4.470 -0.000 0.000 0.277 58 S C 0.273 174.865 174.600 -0.013 0.000 1.168 58 S CA -0.555 57.588 58.200 -0.095 0.000 0.994 58 S CB 0.867 64.252 63.200 0.309 0.000 1.054 58 S HN 0.391 nan 8.310 nan 0.000 0.555 59 L N 1.743 122.952 121.223 -0.023 0.000 2.436 59 L HA 0.225 4.565 4.340 -0.000 0.000 0.265 59 L C -1.619 175.321 176.870 0.115 0.000 1.168 59 L CA -1.634 53.239 54.840 0.056 0.000 0.815 59 L CB 0.174 42.224 42.059 -0.015 0.000 1.109 59 L HN 0.436 nan 8.230 nan 0.000 0.462 60 P HA -0.152 nan 4.420 nan 0.000 0.219 60 P C 1.439 178.786 177.300 0.080 0.000 1.146 60 P CA 1.200 64.418 63.100 0.196 0.000 0.808 60 P CB -0.006 31.868 31.700 0.290 0.000 0.779 61 T N -3.120 111.364 114.554 -0.116 0.000 2.929 61 T HA -0.086 4.264 4.350 -0.000 0.000 0.271 61 T C 1.804 176.397 174.700 -0.178 0.000 1.085 61 T CA 1.122 63.062 62.100 -0.267 0.000 1.125 61 T CB -1.009 67.562 68.868 -0.496 0.000 0.874 61 T HN 0.022 nan 8.240 nan 0.000 0.494 62 A N 0.156 122.894 122.820 -0.136 0.000 2.119 62 A HA 0.240 4.560 4.320 -0.000 0.000 0.217 62 A C 0.382 177.610 177.584 -0.595 0.000 1.153 62 A CA 0.249 52.096 52.037 -0.316 0.000 0.692 62 A CB -0.439 18.399 19.000 -0.270 0.000 0.799 62 A HN 0.679 nan 8.150 nan 0.000 0.458 63 Y N -1.512 118.790 120.300 0.003 0.000 2.705 63 Y HA 0.329 4.879 4.550 -0.000 0.000 0.355 63 Y C -2.044 173.859 175.900 0.005 0.000 1.039 63 Y CA -2.125 55.990 58.100 0.026 0.000 1.233 63 Y CB 1.017 39.513 38.460 0.060 0.000 1.103 63 Y HN 0.103 nan 8.280 nan 0.000 0.624 64 P HA -0.249 nan 4.420 nan 0.000 0.218 64 P C 1.053 178.354 177.300 0.002 0.000 1.152 64 P CA 1.640 64.736 63.100 -0.007 0.000 0.857 64 P CB 0.365 32.028 31.700 -0.062 0.000 0.787 65 N N -0.775 117.923 118.700 -0.004 0.000 2.550 65 N HA -0.063 4.677 4.740 -0.000 0.000 0.186 65 N C 1.337 176.905 175.510 0.097 0.000 1.110 65 N CA 0.944 53.980 53.050 -0.022 0.000 0.912 65 N CB -0.197 38.189 38.487 -0.168 0.000 0.968 65 N HN 0.201 nan 8.380 nan 0.000 0.448 66 V N -2.107 117.884 119.914 0.129 0.000 3.623 66 V HA 0.136 4.256 4.120 -0.000 0.000 0.271 66 V C 1.492 177.661 176.094 0.126 0.000 1.248 66 V CA 0.651 63.038 62.300 0.147 0.000 1.156 66 V CB -0.565 31.340 31.823 0.136 0.000 0.870 66 V HN 0.087 nan 8.190 nan 0.000 0.453 67 L N 1.747 123.018 121.223 0.080 0.000 2.607 67 L HA 0.321 4.661 4.340 -0.000 0.000 0.228 67 L C 0.919 177.837 176.870 0.081 0.000 1.123 67 L CA 0.715 55.575 54.840 0.034 0.000 0.890 67 L CB -0.150 41.903 42.059 -0.010 0.000 1.103 67 L HN 0.656 nan 8.230 nan 0.000 0.468 68 T N -5.737 108.890 114.554 0.123 0.000 2.896 68 T HA 0.589 4.939 4.350 -0.000 0.000 0.297 68 T C 0.722 175.457 174.700 0.058 0.000 1.108 68 T CA -0.129 62.022 62.100 0.085 0.000 1.004 68 T CB 2.423 71.294 68.868 0.005 0.000 1.159 68 T HN -0.098 nan 8.240 nan 0.000 0.499 69 A N 0.813 123.486 122.820 -0.245 0.000 1.969 69 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 69 A C 1.788 179.238 177.584 -0.223 0.000 1.169 69 A CA 1.475 53.065 52.037 -0.744 0.000 0.635 69 A CB -0.923 17.448 19.000 -1.049 0.000 0.810 69 A HN 0.877 nan 8.150 nan 0.000 0.445 70 D N -0.213 120.123 120.400 -0.106 0.000 2.263 70 D HA -0.063 4.576 4.640 -0.000 0.000 0.208 70 D C 1.764 178.098 176.300 0.056 0.000 0.971 70 D CA 1.303 55.295 54.000 -0.014 0.000 0.867 70 D CB -0.373 40.410 40.800 -0.028 0.000 0.929 70 D HN 0.474 nan 8.370 nan 0.000 0.492 71 G N -0.463 108.379 108.800 0.071 0.000 3.042 71 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.212 71 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.212 71 G C 1.142 176.164 174.900 0.202 0.000 1.166 71 G CA -0.371 44.795 45.100 0.111 0.000 0.767 71 G HN 0.129 nan 8.290 nan 0.000 0.546 72 F N 1.657 121.657 119.950 0.084 0.000 2.063 72 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 72 F C 2.448 178.261 175.800 0.023 0.000 1.109 72 F CA 1.833 59.885 58.000 0.086 0.000 1.212 72 F CB -0.414 38.647 39.000 0.101 0.000 0.973 72 F HN 0.019 nan 8.300 nan 0.000 0.480 73 V N -0.432 119.387 119.914 -0.158 0.000 2.427 73 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 73 V C 2.114 178.040 176.094 -0.280 0.000 1.051 73 V CA 2.006 64.075 62.300 -0.385 0.000 1.048 73 V CB -1.209 30.506 31.823 -0.180 0.000 0.666 73 V HN 0.580 nan 8.190 nan 0.000 0.456 74 Y N 2.216 122.406 120.300 -0.184 0.000 2.114 74 Y HA -0.310 4.240 4.550 -0.000 0.000 0.282 74 Y C 2.557 178.365 175.900 -0.153 0.000 1.165 74 Y CA 2.277 60.298 58.100 -0.131 0.000 1.148 74 Y CB -0.325 38.105 38.460 -0.050 0.000 0.972 74 Y HN 0.338 nan 8.280 nan 0.000 0.504 75 N N 0.455 119.161 118.700 0.010 0.000 2.149 75 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 75 N C 1.873 177.231 175.510 -0.252 0.000 1.019 75 N CA 1.832 54.829 53.050 -0.088 0.000 0.857 75 N CB -0.575 37.893 38.487 -0.031 0.000 0.997 75 N HN 0.445 nan 8.380 nan 0.000 0.426 76 L N 0.948 121.960 121.223 -0.353 0.000 2.217 76 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 76 L C 2.156 178.861 176.870 -0.275 0.000 1.107 76 L CA 0.884 55.517 54.840 -0.345 0.000 0.783 76 L CB -0.311 41.447 42.059 -0.501 0.000 0.919 76 L HN 0.137 nan 8.230 nan 0.000 0.442 77 Q N -0.707 118.886 119.800 -0.345 0.000 2.311 77 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 77 Q C 0.279 176.099 176.000 -0.301 0.000 0.954 77 Q CA 0.223 55.842 55.803 -0.306 0.000 0.885 77 Q CB 0.178 28.711 28.738 -0.342 0.000 0.963 77 Q HN 0.365 nan 8.270 nan 0.000 0.471 78 Q N 1.848 121.418 119.800 -0.384 0.000 2.300 78 Q HA 0.002 4.342 4.340 -0.000 0.000 0.280 78 Q C -0.180 175.694 176.000 -0.210 0.000 1.033 78 Q CA 0.534 56.138 55.803 -0.332 0.000 0.903 78 Q CB 0.284 28.819 28.738 -0.338 0.000 1.195 78 Q HN 0.126 nan 8.270 nan 0.000 0.386 79 E N 1.555 121.659 120.200 -0.160 0.000 2.414 79 E HA -0.070 4.280 4.350 -0.000 0.000 0.263 79 E C -0.398 176.125 176.600 -0.127 0.000 1.000 79 E CA 0.087 56.408 56.400 -0.130 0.000 0.914 79 E CB 0.496 30.144 29.700 -0.087 0.000 0.948 79 E HN 0.339 nan 8.360 nan 0.000 0.444 80 D N 2.375 122.685 120.400 -0.151 0.000 2.393 80 D HA 0.001 4.641 4.640 -0.000 0.000 0.232 80 D C 0.037 176.286 176.300 -0.084 0.000 1.192 80 D CA -0.335 53.585 54.000 -0.133 0.000 0.882 80 D CB 0.286 40.979 40.800 -0.178 0.000 1.038 80 D HN 0.258 nan 8.370 nan 0.000 0.499 81 D N 2.148 122.518 120.400 -0.051 0.000 2.342 81 D HA 0.177 4.817 4.640 -0.000 0.000 0.221 81 D C 1.441 177.735 176.300 -0.010 0.000 1.101 81 D CA 0.139 54.126 54.000 -0.022 0.000 0.837 81 D CB 0.036 40.839 40.800 0.005 0.000 0.938 81 D HN 0.506 nan 8.370 nan 0.000 0.508 82 G N 0.534 109.322 108.800 -0.021 0.000 2.199 82 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.254 82 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.254 82 G C 1.044 175.953 174.900 0.015 0.000 0.982 82 G CA 0.478 45.575 45.100 -0.005 0.000 0.632 82 G HN 0.464 nan 8.290 nan 0.000 0.529 83 K N 0.164 120.579 120.400 0.025 0.000 2.464 83 K HA 0.163 4.483 4.320 -0.000 0.000 0.206 83 K C 1.253 177.866 176.600 0.021 0.000 1.186 83 K CA 0.629 56.962 56.287 0.076 0.000 0.990 83 K CB 0.718 33.296 32.500 0.130 0.000 1.003 83 K HN 0.513 nan 8.250 nan 0.000 0.562 84 T N 0.950 115.441 114.554 -0.106 0.000 2.855 84 T HA 0.039 4.389 4.350 -0.000 0.000 0.314 84 T C -1.606 172.842 174.700 -0.421 0.000 1.077 84 T CA -1.146 60.693 62.100 -0.435 0.000 1.095 84 T CB 0.529 69.229 68.868 -0.280 0.000 0.987 84 T HN -0.097 nan 8.240 nan 0.000 0.546 85 P HA 0.036 nan 4.420 nan 0.000 0.226 85 P C 0.043 177.256 177.300 -0.145 0.000 1.153 85 P CA 0.344 63.269 63.100 -0.292 0.000 0.777 85 P CB 0.096 31.631 31.700 -0.275 0.000 0.794 86 V N 1.526 121.343 119.914 -0.162 0.000 2.313 86 V HA 0.228 4.348 4.120 -0.000 0.000 0.278 86 V C 0.283 176.337 176.094 -0.067 0.000 1.017 86 V CA -0.783 61.461 62.300 -0.094 0.000 0.823 86 V CB 1.212 32.958 31.823 -0.128 0.000 1.010 86 V HN 0.012 nan 8.190 nan 0.000 0.443 87 E N 5.856 126.062 120.200 0.011 0.000 2.174 87 E HA 0.423 4.773 4.350 -0.000 0.000 0.282 87 E C -0.226 176.441 176.600 0.112 0.000 0.992 87 E CA -0.708 55.716 56.400 0.040 0.000 0.803 87 E CB 0.863 30.610 29.700 0.079 0.000 1.090 87 E HN 0.573 nan 8.360 nan 0.000 0.396 88 R N 3.575 124.072 120.500 -0.005 0.000 2.459 88 R HA 0.449 4.788 4.340 -0.000 0.000 0.281 88 R C -0.544 175.872 176.300 0.193 0.000 1.050 88 R CA -0.368 55.703 56.100 -0.048 0.000 1.055 88 R CB 0.674 30.559 30.300 -0.691 0.000 1.045 88 R HN 0.486 nan 8.270 nan 0.000 0.495 89 F N -1.991 118.071 119.950 0.186 0.000 2.713 89 F HA 0.617 5.144 4.527 -0.000 0.000 0.311 89 F C -1.660 174.312 175.800 0.287 0.000 1.141 89 F CA -1.270 56.829 58.000 0.165 0.000 0.939 89 F CB 1.149 40.203 39.000 0.091 0.000 1.325 89 F HN 0.102 nan 8.300 nan 0.000 0.453 90 V N 2.232 122.373 119.914 0.377 0.000 2.531 90 V HA 0.555 4.675 4.120 -0.000 0.000 0.301 90 V C -0.068 176.206 176.094 0.300 0.000 1.034 90 V CA -0.496 61.955 62.300 0.252 0.000 0.865 90 V CB 1.376 33.334 31.823 0.224 0.000 0.995 90 V HN 1.114 nan 8.190 nan 0.000 0.424 91 S N 2.696 118.570 115.700 0.291 0.000 2.589 91 S HA 0.198 4.668 4.470 -0.000 0.000 0.265 91 S C 0.811 175.491 174.600 0.134 0.000 1.342 91 S CA -0.199 58.138 58.200 0.229 0.000 1.005 91 S CB 0.714 64.109 63.200 0.326 0.000 0.909 91 S HN 0.756 nan 8.310 nan 0.000 0.555 92 E N 0.536 120.758 120.200 0.037 0.000 2.333 92 E HA -0.140 4.210 4.350 -0.000 0.000 0.198 92 E C 0.753 177.395 176.600 0.069 0.000 1.007 92 E CA 1.306 57.725 56.400 0.031 0.000 0.845 92 E CB -0.299 29.384 29.700 -0.027 0.000 0.766 92 E HN 0.764 nan 8.360 nan 0.000 0.507 93 D N -0.663 119.812 120.400 0.124 0.000 2.317 93 D HA 0.009 4.649 4.640 -0.000 0.000 0.211 93 D C 1.129 177.528 176.300 0.165 0.000 0.966 93 D CA 0.866 54.977 54.000 0.184 0.000 0.876 93 D CB 0.285 41.309 40.800 0.373 0.000 0.927 93 D HN 0.264 nan 8.370 nan 0.000 0.519 94 G N 0.061 108.952 108.800 0.151 0.000 2.131 94 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.223 94 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.223 94 G C -0.114 174.848 174.900 0.104 0.000 0.990 94 G CA -0.550 44.620 45.100 0.115 0.000 0.671 94 G HN 0.187 nan 8.290 nan 0.000 0.521 95 I N 1.785 122.442 120.570 0.145 0.000 2.321 95 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 95 I C -0.043 176.098 176.117 0.041 0.000 0.998 95 I CA -1.290 60.056 61.300 0.077 0.000 1.227 95 I CB 0.993 39.040 38.000 0.078 0.000 1.368 95 I HN -0.042 nan 8.210 nan 0.000 0.466 96 D N 5.593 125.941 120.400 -0.087 0.000 2.443 96 D HA 0.189 4.829 4.640 -0.000 0.000 0.239 96 D C 0.199 176.361 176.300 -0.230 0.000 1.136 96 D CA 0.648 54.494 54.000 -0.256 0.000 0.879 96 D CB 0.932 41.281 40.800 -0.752 0.000 1.195 96 D HN 0.421 nan 8.370 nan 0.000 0.443 97 N N -0.397 118.131 118.700 -0.288 0.000 2.934 97 N HA 0.552 5.292 4.740 -0.000 0.000 0.253 97 N C -1.702 173.597 175.510 -0.352 0.000 1.466 97 N CA -0.542 52.285 53.050 -0.371 0.000 0.858 97 N CB 1.863 39.842 38.487 -0.846 0.000 1.459 97 N HN 0.144 nan 8.380 nan 0.000 0.532 98 V N -1.503 118.349 119.914 -0.103 0.000 3.147 98 V HA 0.871 4.991 4.120 -0.000 0.000 0.306 98 V C -1.172 175.205 176.094 0.473 0.000 1.209 98 V CA -0.928 61.469 62.300 0.161 0.000 1.023 98 V CB 2.222 34.069 31.823 0.039 0.000 1.059 98 V HN 0.919 nan 8.190 nan 0.000 0.435 99 R N 1.261 122.029 120.500 0.447 0.000 2.740 99 R HA 0.829 5.169 4.340 -0.000 0.000 0.273 99 R C -0.023 176.407 176.300 0.216 0.000 0.998 99 R CA -0.298 56.058 56.100 0.427 0.000 0.900 99 R CB 1.782 32.358 30.300 0.461 0.000 1.223 99 R HN 1.390 nan 8.270 nan 0.000 0.466 100 G N 0.904 109.809 108.800 0.174 0.000 2.527 100 G HA2 0.321 4.281 3.960 -0.000 0.000 0.248 100 G HA3 0.321 4.281 3.960 -0.000 0.000 0.248 100 G C -0.636 174.309 174.900 0.075 0.000 1.231 100 G CA -0.756 44.403 45.100 0.098 0.000 0.838 100 G HN 0.603 nan 8.290 nan 0.000 0.570 101 R N 0.628 121.150 120.500 0.035 0.000 2.754 101 R HA 0.468 4.808 4.340 -0.000 0.000 0.255 101 R C -1.536 174.773 176.300 0.016 0.000 1.723 101 R CA -0.306 55.809 56.100 0.026 0.000 1.596 101 R CB 1.038 31.346 30.300 0.013 0.000 1.424 101 R HN 0.589 nan 8.270 nan 0.000 0.662 102 V N 2.574 122.508 119.914 0.034 0.000 3.234 102 V HA 0.310 4.430 4.120 -0.000 0.000 0.280 102 V C -1.722 174.403 176.094 0.051 0.000 1.580 102 V CA -1.057 61.272 62.300 0.048 0.000 1.032 102 V CB 1.988 33.843 31.823 0.055 0.000 1.203 102 V HN 0.468 nan 8.190 nan 0.000 0.459 103 L N 5.261 126.518 121.223 0.057 0.000 2.462 103 L HA 0.668 5.008 4.340 -0.000 0.000 0.272 103 L C 1.188 178.100 176.870 0.070 0.000 1.166 103 L CA 2.273 57.142 54.840 0.048 0.000 0.880 103 L CB 0.635 42.731 42.059 0.062 0.000 1.142 103 L HN 1.543 nan 8.230 nan 0.000 0.473 104 G N 2.077 110.901 108.800 0.040 0.000 2.218 104 G HA2 0.035 3.995 3.960 -0.000 0.000 0.216 104 G HA3 0.035 3.995 3.960 -0.000 0.000 0.216 104 G C 1.034 175.973 174.900 0.065 0.000 0.994 104 G CA 0.159 45.294 45.100 0.057 0.000 0.637 104 G HN 1.812 nan 8.290 nan 0.000 0.505 105 G N -0.673 108.163 108.800 0.060 0.000 2.564 105 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.273 105 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.273 105 G C 0.952 175.902 174.900 0.084 0.000 1.242 105 G CA 1.215 46.356 45.100 0.068 0.000 0.951 105 G HN 1.329 nan 8.290 nan 0.000 0.564 106 T N 1.172 115.786 114.554 0.100 0.000 3.072 106 T HA 0.073 4.423 4.350 -0.000 0.000 0.266 106 T C 2.658 177.424 174.700 0.110 0.000 1.127 106 T CA 2.152 64.320 62.100 0.114 0.000 1.107 106 T CB -0.380 68.572 68.868 0.141 0.000 0.910 106 T HN 1.430 nan 8.240 nan 0.000 0.513 107 S N 1.063 116.825 115.700 0.103 0.000 2.515 107 S HA 0.044 4.514 4.470 -0.000 0.000 0.231 107 S C 1.798 176.443 174.600 0.075 0.000 0.987 107 S CA 0.225 58.479 58.200 0.091 0.000 0.936 107 S CB -0.419 62.839 63.200 0.096 0.000 0.766 107 S HN 0.352 nan 8.310 nan 0.000 0.528 108 I N 1.744 122.369 120.570 0.091 0.000 3.226 108 I HA 0.198 4.368 4.170 -0.000 0.000 0.277 108 I C 1.763 177.950 176.117 0.116 0.000 1.243 108 I CA 0.728 62.088 61.300 0.099 0.000 1.459 108 I CB -0.437 37.625 38.000 0.103 0.000 1.093 108 I HN 0.558 nan 8.210 nan 0.000 0.453 109 I N -1.630 119.011 120.570 0.119 0.000 4.240 109 I HA 0.211 4.381 4.170 -0.000 0.000 0.331 109 I C 0.543 176.807 176.117 0.245 0.000 1.381 109 I CA -0.532 60.858 61.300 0.151 0.000 1.136 109 I CB -0.137 37.898 38.000 0.059 0.000 1.137 109 I HN 0.011 nan 8.210 nan 0.000 0.411 110 N N 2.522 121.341 118.700 0.199 0.000 2.366 110 N HA 0.266 5.006 4.740 -0.000 0.000 0.277 110 N C 0.930 176.517 175.510 0.129 0.000 1.275 110 N CA 0.141 53.321 53.050 0.216 0.000 0.964 110 N CB 0.492 39.070 38.487 0.153 0.000 1.167 110 N HN 0.079 nan 8.380 nan 0.000 0.568 111 A N -2.187 120.621 122.820 -0.019 0.000 2.259 111 A HA 0.392 4.712 4.320 -0.000 0.000 0.208 111 A C 1.501 179.101 177.584 0.027 0.000 1.201 111 A CA 0.408 52.271 52.037 -0.289 0.000 0.824 111 A CB -1.535 17.313 19.000 -0.252 0.000 0.838 111 A HN 1.370 nan 8.150 nan 0.000 0.485 112 G N -1.224 107.505 108.800 -0.117 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 0.363 175.254 174.900 -0.015 0.000 0.975 112 G CA 0.392 45.323 45.100 -0.281 0.000 0.644 112 G HN 0.854 nan 8.290 nan 0.000 0.537 113 V N 0.546 120.477 119.914 0.028 0.000 2.529 113 V HA 0.391 4.511 4.120 -0.000 0.000 0.292 113 V C 0.186 176.290 176.094 0.017 0.000 1.028 113 V CA 0.083 62.353 62.300 -0.050 0.000 1.074 113 V CB 0.846 32.402 31.823 -0.444 0.000 0.958 113 V HN 0.346 nan 8.190 nan 0.000 0.481 114 Y N 4.203 124.463 120.300 -0.067 0.000 2.341 114 Y HA 0.714 5.264 4.550 -0.000 0.000 0.338 114 Y C -0.034 175.814 175.900 -0.087 0.000 0.965 114 Y CA -0.386 57.684 58.100 -0.050 0.000 1.108 114 Y CB 1.425 39.871 38.460 -0.024 0.000 1.180 114 Y HN 0.780 nan 8.280 nan 0.000 0.458 115 A N 6.433 128.848 122.820 -0.676 0.000 2.572 115 A HA 0.717 5.036 4.320 -0.000 0.000 0.295 115 A C -1.271 175.885 177.584 -0.714 0.000 1.072 115 A CA -1.095 50.637 52.037 -0.508 0.000 0.691 115 A CB 1.537 20.380 19.000 -0.263 0.000 1.291 115 A HN 0.848 nan 8.150 nan 0.000 0.404 116 R N 0.538 120.703 120.500 -0.558 0.000 2.528 116 R HA 0.599 4.939 4.340 -0.000 0.000 0.271 116 R C 0.495 176.561 176.300 -0.390 0.000 1.056 116 R CA -0.018 55.690 56.100 -0.654 0.000 1.117 116 R CB 1.338 31.162 30.300 -0.793 0.000 1.085 116 R HN 0.910 nan 8.270 nan 0.000 0.530 117 A N 1.979 124.665 122.820 -0.224 0.000 2.425 117 A HA -0.017 4.303 4.320 -0.000 0.000 0.242 117 A C 0.238 177.645 177.584 -0.296 0.000 1.077 117 A CA -0.376 51.467 52.037 -0.323 0.000 0.781 117 A CB 0.128 18.899 19.000 -0.382 0.000 1.020 117 A HN 0.743 nan 8.150 nan 0.000 0.494 118 N N 0.912 119.357 118.700 -0.425 0.000 2.365 118 N HA -0.064 4.676 4.740 -0.000 0.000 0.265 118 N C 1.463 176.851 175.510 -0.202 0.000 1.288 118 N CA 0.976 53.873 53.050 -0.255 0.000 0.869 118 N CB 0.600 38.899 38.487 -0.313 0.000 1.071 118 N HN 0.712 nan 8.380 nan 0.000 0.480 119 T N 0.124 114.649 114.554 -0.047 0.000 3.025 119 T HA -0.060 4.290 4.350 -0.000 0.000 0.270 119 T C 1.298 176.051 174.700 0.089 0.000 1.126 119 T CA 0.972 63.134 62.100 0.104 0.000 1.105 119 T CB -0.075 68.810 68.868 0.030 0.000 0.884 119 T HN 0.353 nan 8.240 nan 0.000 0.522 120 S N 1.126 116.799 115.700 -0.045 0.000 2.575 120 S HA 0.309 4.779 4.470 -0.000 0.000 0.215 120 S C 1.708 176.238 174.600 -0.117 0.000 0.966 120 S CA 0.021 58.191 58.200 -0.051 0.000 0.911 120 S CB -0.363 62.800 63.200 -0.061 0.000 0.780 120 S HN 0.816 nan 8.310 nan 0.000 0.514 121 I N -2.480 117.918 120.570 -0.286 0.000 3.419 121 I HA 0.102 4.272 4.170 -0.000 0.000 0.286 121 I C 1.468 177.327 176.117 -0.429 0.000 1.268 121 I CA 0.598 61.657 61.300 -0.402 0.000 1.414 121 I CB -0.502 37.138 38.000 -0.600 0.000 1.074 121 I HN 0.073 nan 8.210 nan 0.000 0.457 122 Y N 2.455 122.583 120.300 -0.286 0.000 2.220 122 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 122 Y C 3.187 179.117 175.900 0.050 0.000 1.129 122 Y CA 1.692 59.622 58.100 -0.283 0.000 1.161 122 Y CB -0.574 37.612 38.460 -0.458 0.000 0.997 122 Y HN 0.344 nan 8.280 nan 0.000 0.522 123 S N 0.217 116.021 115.700 0.173 0.000 2.383 123 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 123 S C 1.779 176.452 174.600 0.120 0.000 1.030 123 S CA 0.996 59.286 58.200 0.150 0.000 1.002 123 S CB -0.605 62.647 63.200 0.086 0.000 0.829 123 S HN 0.313 nan 8.310 nan 0.000 0.467 124 A N 1.172 124.035 122.820 0.073 0.000 2.545 124 A HA 0.541 4.861 4.320 -0.000 0.000 0.277 124 A C 1.786 179.413 177.584 0.071 0.000 1.301 124 A CA 0.293 52.366 52.037 0.059 0.000 0.935 124 A CB -0.360 18.658 19.000 0.031 0.000 1.093 124 A HN 0.634 nan 8.150 nan 0.000 0.519 125 S N -1.771 114.001 115.700 0.121 0.000 2.496 125 S HA 0.336 4.806 4.470 -0.000 0.000 0.224 125 S C 1.505 176.249 174.600 0.241 0.000 0.996 125 S CA 1.024 59.318 58.200 0.156 0.000 0.927 125 S CB -0.150 63.156 63.200 0.177 0.000 0.774 125 S HN 1.790 nan 8.310 nan 0.000 0.524 126 G N -0.099 108.791 108.800 0.150 0.000 2.175 126 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 126 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 126 G C -0.076 174.822 174.900 -0.003 0.000 0.982 126 G CA -0.022 45.116 45.100 0.063 0.000 0.641 126 G HN 0.724 nan 8.290 nan 0.000 0.527 127 V N 0.792 120.715 119.914 0.016 0.000 2.604 127 V HA 0.564 4.684 4.120 -0.000 0.000 0.305 127 V C -0.613 175.348 176.094 -0.222 0.000 1.043 127 V CA -0.666 61.485 62.300 -0.248 0.000 0.888 127 V CB 1.974 33.443 31.823 -0.590 0.000 0.995 127 V HN 0.262 nan 8.190 nan 0.000 0.429 128 D N 4.101 124.393 120.400 -0.180 0.000 2.453 128 D HA 0.193 4.833 4.640 -0.000 0.000 0.223 128 D C -0.567 175.729 176.300 -0.007 0.000 1.183 128 D CA -0.240 53.746 54.000 -0.023 0.000 0.933 128 D CB 0.219 41.019 40.800 -0.000 0.000 1.038 128 D HN 0.359 nan 8.370 nan 0.000 0.513 129 W N 2.191 123.564 121.300 0.120 0.000 2.218 129 W HA 0.186 4.846 4.660 -0.000 0.000 0.326 129 W C 0.871 177.449 176.519 0.097 0.000 1.276 129 W CA -0.726 56.685 57.345 0.110 0.000 1.210 129 W CB 0.595 30.047 29.460 -0.014 0.000 1.143 129 W HN 0.256 nan 8.180 nan 0.000 0.563 130 D N 3.984 124.654 120.400 0.451 0.000 2.456 130 D HA 0.054 4.694 4.640 -0.000 0.000 0.219 130 D C 0.997 177.435 176.300 0.229 0.000 1.126 130 D CA -0.103 54.060 54.000 0.271 0.000 0.890 130 D CB 0.746 41.679 40.800 0.222 0.000 1.025 130 D HN 0.201 nan 8.370 nan 0.000 0.511 131 M N 1.856 121.508 119.600 0.087 0.000 2.279 131 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 131 M C 1.059 177.356 176.300 -0.005 0.000 1.062 131 M CA 0.942 56.216 55.300 -0.043 0.000 1.099 131 M CB -0.444 32.092 32.600 -0.106 0.000 1.394 131 M HN 0.359 nan 8.290 nan 0.000 0.426 132 D N 0.199 120.617 120.400 0.031 0.000 2.117 132 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 132 D C 2.075 178.401 176.300 0.043 0.000 0.982 132 D CA 0.917 54.934 54.000 0.028 0.000 0.828 132 D CB -0.206 40.608 40.800 0.023 0.000 0.967 132 D HN 0.251 nan 8.370 nan 0.000 0.464 133 L N 0.836 122.103 121.223 0.074 0.000 2.093 133 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 133 L C 2.228 179.172 176.870 0.124 0.000 1.085 133 L CA 1.153 56.039 54.840 0.076 0.000 0.755 133 L CB -0.473 41.617 42.059 0.052 0.000 0.904 133 L HN -0.172 nan 8.230 nan 0.000 0.435 134 V N 0.504 120.510 119.914 0.153 0.000 2.255 134 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 134 V C 2.397 178.450 176.094 -0.069 0.000 1.051 134 V CA 2.138 64.417 62.300 -0.035 0.000 1.018 134 V CB -0.885 30.789 31.823 -0.249 0.000 0.641 134 V HN 0.523 nan 8.190 nan 0.000 0.445 135 N N -0.232 118.499 118.700 0.052 0.000 2.188 135 N HA -0.151 4.589 4.740 -0.000 0.000 0.184 135 N C 1.906 177.502 175.510 0.143 0.000 1.018 135 N CA 1.166 54.317 53.050 0.167 0.000 0.858 135 N CB -0.339 38.210 38.487 0.104 0.000 0.989 135 N HN 0.595 nan 8.380 nan 0.000 0.426 136 Q N -0.340 119.508 119.800 0.080 0.000 2.124 136 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 136 Q C 1.585 177.645 176.000 0.100 0.000 0.977 136 Q CA 1.484 57.333 55.803 0.077 0.000 0.850 136 Q CB -0.135 28.622 28.738 0.032 0.000 0.901 136 Q HN 0.365 nan 8.270 nan 0.000 0.429 137 T N -0.055 114.522 114.554 0.038 0.000 2.857 137 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 137 T C 1.420 176.211 174.700 0.151 0.000 1.048 137 T CA 0.975 63.081 62.100 0.009 0.000 1.139 137 T CB -0.360 68.444 68.868 -0.105 0.000 0.874 137 T HN 0.341 nan 8.240 nan 0.000 0.455 138 Y N 1.660 122.039 120.300 0.132 0.000 2.128 138 Y HA -0.164 4.386 4.550 -0.000 0.000 0.284 138 Y C 2.674 178.659 175.900 0.141 0.000 1.154 138 Y CA 1.052 59.243 58.100 0.152 0.000 1.149 138 Y CB -0.138 38.390 38.460 0.113 0.000 0.976 138 Y HN 0.311 nan 8.280 nan 0.000 0.505 139 E N -1.034 119.337 120.200 0.284 0.000 2.077 139 E HA -0.289 4.061 4.350 -0.000 0.000 0.193 139 E C 1.771 178.474 176.600 0.171 0.000 0.989 139 E CA 1.383 57.883 56.400 0.168 0.000 0.800 139 E CB -0.459 29.319 29.700 0.130 0.000 0.746 139 E HN 0.580 nan 8.360 nan 0.000 0.452 140 W N 1.035 122.344 121.300 0.016 0.000 2.335 140 W HA -0.243 4.417 4.660 -0.000 0.000 0.311 140 W C 2.024 178.526 176.519 -0.029 0.000 1.213 140 W CA 1.441 58.779 57.345 -0.012 0.000 1.274 140 W CB -0.225 29.229 29.460 -0.010 0.000 1.148 140 W HN -0.174 nan 8.180 nan 0.000 0.498 141 V N 0.656 120.768 119.914 0.329 0.000 2.307 141 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 141 V C 2.056 178.080 176.094 -0.116 0.000 1.045 141 V CA 2.401 64.778 62.300 0.127 0.000 1.024 141 V CB -1.000 30.997 31.823 0.290 0.000 0.651 141 V HN 0.150 nan 8.190 nan 0.000 0.449 142 E N 0.060 120.197 120.200 -0.105 0.000 2.085 142 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 142 E C 1.830 178.236 176.600 -0.323 0.000 0.994 142 E CA 1.506 57.729 56.400 -0.295 0.000 0.801 142 E CB -0.187 29.393 29.700 -0.201 0.000 0.743 142 E HN 0.557 nan 8.360 nan 0.000 0.453 143 D N -0.645 119.615 120.400 -0.234 0.000 2.350 143 D HA -0.059 4.580 4.640 -0.000 0.000 0.216 143 D C 1.328 177.429 176.300 -0.330 0.000 0.968 143 D CA 0.908 54.756 54.000 -0.253 0.000 0.894 143 D CB 0.103 40.797 40.800 -0.177 0.000 0.909 143 D HN 0.152 nan 8.370 nan 0.000 0.520 144 T N -0.138 114.188 114.554 -0.381 0.000 3.056 144 T HA 0.142 4.492 4.350 -0.000 0.000 0.241 144 T C 1.734 176.195 174.700 -0.397 0.000 1.006 144 T CA 0.074 61.942 62.100 -0.387 0.000 1.115 144 T CB 0.639 69.240 68.868 -0.445 0.000 0.939 144 T HN 0.269 nan 8.240 nan 0.000 0.462 145 I N -1.236 119.087 120.570 -0.413 0.000 3.994 145 I HA 0.513 4.683 4.170 -0.000 0.000 0.323 145 I C -0.851 174.987 176.117 -0.464 0.000 1.501 145 I CA -0.509 60.586 61.300 -0.341 0.000 1.112 145 I CB 0.766 38.709 38.000 -0.096 0.000 1.254 145 I HN -0.178 nan 8.210 nan 0.000 0.495 146 V N 1.578 121.020 119.914 -0.787 0.000 2.555 146 V HA 0.536 4.656 4.120 -0.000 0.000 0.302 146 V C -0.968 174.595 176.094 -0.885 0.000 1.038 146 V CA -0.372 61.512 62.300 -0.693 0.000 0.887 146 V CB 1.540 32.877 31.823 -0.810 0.000 0.991 146 V HN 0.174 nan 8.190 nan 0.000 0.434 147 Y N 1.476 121.721 120.300 -0.092 0.000 2.545 147 Y HA 0.511 5.061 4.550 -0.000 0.000 0.348 147 Y C 0.089 175.997 175.900 0.013 0.000 1.002 147 Y CA -1.240 56.833 58.100 -0.046 0.000 1.039 147 Y CB 1.668 40.109 38.460 -0.032 0.000 1.271 147 Y HN 0.479 nan 8.280 nan 0.000 0.467 148 K N 5.092 125.528 120.400 0.060 0.000 2.316 148 K HA 0.289 4.609 4.320 -0.000 0.000 0.289 148 K C -2.558 173.995 176.600 -0.078 0.000 1.070 148 K CA -1.745 54.413 56.287 -0.215 0.000 0.928 148 K CB 0.430 32.602 32.500 -0.548 0.000 1.039 148 K HN 0.379 nan 8.250 nan 0.000 0.480 149 P HA 0.006 nan 4.420 nan 0.000 0.272 149 P C -0.860 176.434 177.300 -0.010 0.000 1.230 149 P CA -0.320 62.808 63.100 0.046 0.000 0.788 149 P CB 0.594 32.364 31.700 0.117 0.000 0.949 150 N N -0.040 118.668 118.700 0.013 0.000 2.399 150 N HA 0.074 4.814 4.740 -0.000 0.000 0.250 150 N C 0.354 175.872 175.510 0.013 0.000 1.272 150 N CA -0.014 53.036 53.050 -0.000 0.000 0.928 150 N CB 0.164 38.655 38.487 0.006 0.000 1.158 150 N HN 0.453 nan 8.380 nan 0.000 0.463 151 S N 0.133 115.839 115.700 0.009 0.000 2.565 151 S HA 0.252 4.722 4.470 -0.000 0.000 0.276 151 S C -0.289 174.332 174.600 0.035 0.000 1.326 151 S CA -0.594 57.619 58.200 0.023 0.000 1.045 151 S CB 0.774 63.984 63.200 0.017 0.000 0.918 151 S HN 0.445 nan 8.310 nan 0.000 0.505 152 Q N 1.516 121.345 119.800 0.048 0.000 2.304 152 Q HA 0.377 4.717 4.340 -0.000 0.000 0.270 152 Q C 0.587 176.629 176.000 0.070 0.000 1.035 152 Q CA -0.663 55.177 55.803 0.061 0.000 0.781 152 Q CB 1.930 30.713 28.738 0.075 0.000 1.261 152 Q HN 0.757 nan 8.270 nan 0.000 0.444 153 S N 2.718 118.469 115.700 0.085 0.000 2.368 153 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 153 S C 1.130 175.796 174.600 0.110 0.000 1.044 153 S CA 1.630 59.891 58.200 0.102 0.000 1.062 153 S CB -0.055 63.224 63.200 0.132 0.000 0.931 153 S HN 0.856 nan 8.310 nan 0.000 0.440 154 W N 1.327 122.608 121.300 -0.032 0.000 2.363 154 W HA -0.099 4.561 4.660 -0.000 0.000 0.296 154 W C 2.090 178.578 176.519 -0.052 0.000 1.212 154 W CA 1.230 58.526 57.345 -0.083 0.000 1.260 154 W CB -0.323 29.048 29.460 -0.149 0.000 1.131 154 W HN 0.423 nan 8.180 nan 0.000 0.530 155 Q N 0.108 119.887 119.800 -0.034 0.000 2.119 155 Q HA -0.126 4.214 4.340 -0.000 0.000 0.201 155 Q C 2.230 178.167 176.000 -0.104 0.000 0.972 155 Q CA 1.658 57.422 55.803 -0.066 0.000 0.847 155 Q CB -0.822 27.955 28.738 0.065 0.000 0.903 155 Q HN 0.196 nan 8.270 nan 0.000 0.433 156 S N 0.309 115.967 115.700 -0.070 0.000 2.383 156 S HA -0.078 4.392 4.470 -0.000 0.000 0.227 156 S C 2.172 176.702 174.600 -0.116 0.000 1.026 156 S CA 0.895 59.068 58.200 -0.046 0.000 0.981 156 S CB -0.118 63.081 63.200 -0.003 0.000 0.818 156 S HN 0.131 nan 8.310 nan 0.000 0.472 157 V N 1.752 121.519 119.914 -0.246 0.000 2.295 157 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 157 V C 2.513 178.366 176.094 -0.402 0.000 1.049 157 V CA 2.084 64.184 62.300 -0.333 0.000 1.024 157 V CB -1.294 30.182 31.823 -0.577 0.000 0.648 157 V HN 0.502 nan 8.190 nan 0.000 0.447 158 T N -0.415 113.792 114.554 -0.578 0.000 2.720 158 T HA -0.273 4.077 4.350 -0.000 0.000 0.268 158 T C 1.942 176.557 174.700 -0.141 0.000 1.037 158 T CA 1.952 63.798 62.100 -0.424 0.000 1.144 158 T CB -0.230 68.406 68.868 -0.385 0.000 0.864 158 T HN 0.484 nan 8.240 nan 0.000 0.444 159 K N 0.758 121.162 120.400 0.005 0.000 2.063 159 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 159 K C 2.516 179.187 176.600 0.118 0.000 1.048 159 K CA 1.849 58.232 56.287 0.159 0.000 0.928 159 K CB -0.335 32.230 32.500 0.108 0.000 0.713 159 K HN 0.520 nan 8.250 nan 0.000 0.442 160 T N -1.624 112.945 114.554 0.026 0.000 2.788 160 T HA -0.032 4.318 4.350 -0.000 0.000 0.268 160 T C 2.000 176.721 174.700 0.036 0.000 1.044 160 T CA 1.006 63.127 62.100 0.036 0.000 1.139 160 T CB -0.369 68.507 68.868 0.014 0.000 0.867 160 T HN 0.264 nan 8.240 nan 0.000 0.454 161 A N 0.823 123.621 122.820 -0.036 0.000 1.873 161 A HA 0.162 4.482 4.320 -0.000 0.000 0.215 161 A C 2.111 179.688 177.584 -0.013 0.000 1.186 161 A CA 1.112 53.106 52.037 -0.072 0.000 0.616 161 A CB -1.184 17.701 19.000 -0.191 0.000 0.823 161 A HN 0.546 nan 8.150 nan 0.000 0.442 162 F N 0.029 120.015 119.950 0.060 0.000 2.095 162 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 162 F C 2.187 178.030 175.800 0.072 0.000 1.104 162 F CA 1.152 59.194 58.000 0.070 0.000 1.232 162 F CB -0.217 38.833 39.000 0.084 0.000 0.987 162 F HN 0.118 nan 8.300 nan 0.000 0.475 163 L N -0.371 121.031 121.223 0.299 0.000 2.093 163 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 163 L C 2.351 179.392 176.870 0.285 0.000 1.085 163 L CA 1.329 56.351 54.840 0.303 0.000 0.755 163 L CB -0.601 41.577 42.059 0.197 0.000 0.904 163 L HN 0.182 nan 8.230 nan 0.000 0.435 164 E N 0.409 120.707 120.200 0.162 0.000 2.150 164 E HA -0.165 4.184 4.350 -0.000 0.000 0.193 164 E C 1.882 178.528 176.600 0.077 0.000 0.985 164 E CA 0.893 57.360 56.400 0.113 0.000 0.814 164 E CB 0.083 29.824 29.700 0.068 0.000 0.752 164 E HN 0.449 nan 8.360 nan 0.000 0.466 165 A N -0.161 122.699 122.820 0.066 0.000 2.276 165 A HA 0.261 4.581 4.320 -0.000 0.000 0.212 165 A C 1.425 178.977 177.584 -0.053 0.000 1.230 165 A CA 0.781 52.834 52.037 0.028 0.000 0.844 165 A CB -0.358 18.679 19.000 0.062 0.000 0.860 165 A HN 0.380 nan 8.150 nan 0.000 0.486 166 G N -1.521 107.151 108.800 -0.212 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 0.168 174.667 174.900 -0.667 0.000 0.989 166 G CA 0.151 44.847 45.100 -0.673 0.000 0.682 166 G HN 0.806 nan 8.290 nan 0.000 0.522 167 V N 2.172 121.917 119.914 -0.282 0.000 2.276 167 V HA 0.341 4.461 4.120 -0.000 0.000 0.249 167 V C 0.710 176.810 176.094 0.010 0.000 1.160 167 V CA -0.064 62.176 62.300 -0.100 0.000 1.042 167 V CB -0.595 31.235 31.823 0.012 0.000 1.224 167 V HN 0.503 nan 8.190 nan 0.000 0.496 168 H N 4.820 123.864 119.070 -0.043 0.000 2.710 168 H HA 0.549 5.105 4.556 -0.000 0.000 0.361 168 H C -2.159 173.101 175.328 -0.112 0.000 1.175 168 H CA -2.195 53.805 56.048 -0.080 0.000 1.206 168 H CB 2.370 32.096 29.762 -0.060 0.000 1.750 168 H HN 0.365 nan 8.280 nan 0.000 0.553 169 P HA 0.034 nan 4.420 nan 0.000 0.306 169 P C -0.766 176.345 177.300 -0.316 0.000 1.309 169 P CA -0.566 62.424 63.100 -0.183 0.000 0.759 169 P CB 0.956 32.493 31.700 -0.271 0.000 1.314 170 N N -0.581 117.934 118.700 -0.308 0.000 2.426 170 N HA 0.078 4.818 4.740 -0.000 0.000 0.275 170 N C 0.460 175.778 175.510 -0.320 0.000 1.019 170 N CA -0.081 52.834 53.050 -0.225 0.000 0.941 170 N CB 0.036 38.456 38.487 -0.112 0.000 1.123 170 N HN 0.270 nan 8.380 nan 0.000 0.486 171 H N 2.651 121.697 119.070 -0.039 0.000 2.586 171 H HA 0.230 4.786 4.556 -0.000 0.000 0.273 171 H C 1.327 176.639 175.328 -0.026 0.000 0.997 171 H CA 0.445 56.462 56.048 -0.052 0.000 1.177 171 H CB 0.206 29.912 29.762 -0.092 0.000 1.471 171 H HN 0.794 nan 8.280 nan 0.000 0.538 172 G N 1.870 110.722 108.800 0.086 0.000 2.583 172 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.292 172 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.292 172 G C -0.268 174.728 174.900 0.159 0.000 1.203 172 G CA 0.281 45.446 45.100 0.109 0.000 0.987 172 G HN 0.358 nan 8.290 nan 0.000 0.554 173 F N 2.336 122.305 119.950 0.032 0.000 2.405 173 F HA 0.703 5.230 4.527 -0.000 0.000 0.355 173 F C 0.320 176.126 175.800 0.012 0.000 1.121 173 F CA 0.005 58.018 58.000 0.023 0.000 1.112 173 F CB 1.698 40.709 39.000 0.018 0.000 1.126 173 F HN 0.877 nan 8.300 nan 0.000 0.481 174 S N 5.867 121.119 115.700 -0.746 0.000 2.535 174 S HA 0.421 4.891 4.470 -0.000 0.000 0.272 174 S C 0.013 174.240 174.600 -0.622 0.000 1.149 174 S CA -0.777 57.048 58.200 -0.626 0.000 0.888 174 S CB 0.978 63.989 63.200 -0.314 0.000 1.110 174 S HN 0.753 nan 8.310 nan 0.000 0.463 175 L N 1.794 122.718 121.223 -0.499 0.000 2.446 175 L HA 0.256 4.596 4.340 -0.000 0.000 0.219 175 L C 0.265 176.963 176.870 -0.286 0.000 1.116 175 L CA 0.305 54.958 54.840 -0.312 0.000 0.844 175 L CB -0.124 41.835 42.059 -0.165 0.000 0.970 175 L HN 0.576 nan 8.230 nan 0.000 0.457 176 D N 0.040 120.255 120.400 -0.308 0.000 2.350 176 D HA 0.013 4.653 4.640 -0.000 0.000 0.249 176 D C -0.180 175.939 176.300 -0.301 0.000 1.119 176 D CA 0.038 53.862 54.000 -0.293 0.000 0.886 176 D CB 0.974 41.608 40.800 -0.277 0.000 1.195 176 D HN 0.058 nan 8.370 nan 0.000 0.437 177 H N 2.226 121.088 119.070 -0.347 0.000 3.089 177 H HA 0.143 4.699 4.556 -0.000 0.000 0.262 177 H C -0.582 174.546 175.328 -0.333 0.000 1.160 177 H CA 0.379 56.214 56.048 -0.355 0.000 1.482 177 H CB 0.153 29.680 29.762 -0.392 0.000 1.511 177 H HN 0.243 nan 8.280 nan 0.000 0.483 178 E N 3.277 123.108 120.200 -0.614 0.000 2.367 178 E HA 0.105 4.455 4.350 -0.000 0.000 0.273 178 E C -0.838 175.517 176.600 -0.408 0.000 0.903 178 E CA -1.152 54.954 56.400 -0.489 0.000 0.764 178 E CB 1.973 31.330 29.700 -0.573 0.000 1.252 178 E HN 0.673 nan 8.360 nan 0.000 0.446 179 E N 1.104 121.165 120.200 -0.232 0.000 2.465 179 E HA 0.272 4.622 4.350 -0.000 0.000 0.260 179 E C 0.076 176.689 176.600 0.021 0.000 0.980 179 E CA 0.687 56.999 56.400 -0.146 0.000 0.927 179 E CB 0.304 29.940 29.700 -0.108 0.000 0.934 179 E HN 0.704 nan 8.360 nan 0.000 0.459 180 G N 2.629 111.401 108.800 -0.047 0.000 2.343 180 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.562 180 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.562 180 G C -0.833 174.044 174.900 -0.037 0.000 1.269 180 G CA -0.402 44.698 45.100 -0.000 0.000 1.011 180 G HN 0.571 nan 8.290 nan 0.000 0.498 181 T N 0.837 115.385 114.554 -0.009 0.000 2.859 181 T HA 0.800 5.150 4.350 -0.000 0.000 0.281 181 T C 0.335 175.067 174.700 0.053 0.000 1.005 181 T CA 0.051 62.129 62.100 -0.038 0.000 1.025 181 T CB 1.468 70.351 68.868 0.025 0.000 0.977 181 T HN 1.044 nan 8.240 nan 0.000 0.458 182 R N 1.206 121.723 120.500 0.029 0.000 2.728 182 R HA 0.604 4.944 4.340 -0.000 0.000 0.274 182 R C -1.951 174.384 176.300 0.059 0.000 1.030 182 R CA -0.980 55.154 56.100 0.057 0.000 0.876 182 R CB 0.868 31.181 30.300 0.022 0.000 1.259 182 R HN 0.491 nan 8.270 nan 0.000 0.468 183 I N 1.440 122.071 120.570 0.102 0.000 2.339 183 I HA 0.298 4.468 4.170 -0.000 0.000 0.290 183 I C 0.100 176.302 176.117 0.141 0.000 0.994 183 I CA -0.638 60.768 61.300 0.178 0.000 1.191 183 I CB 2.002 40.172 38.000 0.284 0.000 1.343 183 I HN 0.686 nan 8.210 nan 0.000 0.458 184 T N 3.838 118.452 114.554 0.099 0.000 2.889 184 T HA 0.611 4.961 4.350 -0.000 0.000 0.278 184 T C 0.349 175.194 174.700 0.243 0.000 0.995 184 T CA -0.365 61.732 62.100 -0.005 0.000 0.966 184 T CB 1.505 70.337 68.868 -0.060 0.000 1.237 184 T HN 0.698 nan 8.240 nan 0.000 0.591 185 G N 0.453 109.381 108.800 0.213 0.000 2.580 185 G HA2 0.499 4.458 3.960 -0.000 0.000 0.278 185 G HA3 0.499 4.458 3.960 -0.000 0.000 0.278 185 G C -0.732 174.324 174.900 0.259 0.000 1.212 185 G CA -0.283 45.014 45.100 0.328 0.000 0.939 185 G HN 0.713 nan 8.290 nan 0.000 0.513 186 S N -2.359 113.485 115.700 0.240 0.000 2.564 186 S HA 0.500 4.970 4.470 -0.000 0.000 0.274 186 S C 0.844 175.575 174.600 0.219 0.000 1.124 186 S CA 0.109 58.445 58.200 0.227 0.000 0.869 186 S CB 1.505 64.871 63.200 0.277 0.000 1.105 186 S HN 0.965 nan 8.310 nan 0.000 0.472 187 T N 0.756 115.366 114.554 0.094 0.000 3.129 187 T HA 0.348 4.698 4.350 -0.000 0.000 0.251 187 T C 0.099 174.857 174.700 0.096 0.000 1.117 187 T CA 0.103 62.258 62.100 0.091 0.000 1.034 187 T CB -0.711 68.141 68.868 -0.027 0.000 0.968 187 T HN 0.407 nan 8.240 nan 0.000 0.526 188 F N 3.273 123.350 119.950 0.212 0.000 2.408 188 F HA 0.442 4.969 4.527 -0.000 0.000 0.344 188 F C 0.682 176.466 175.800 -0.027 0.000 1.112 188 F CA -1.528 56.529 58.000 0.095 0.000 1.096 188 F CB 1.001 40.037 39.000 0.059 0.000 1.129 188 F HN 0.138 nan 8.300 nan 0.000 0.486 189 D N 0.806 121.157 120.400 -0.082 0.000 2.478 189 D HA 0.086 4.726 4.640 -0.000 0.000 0.269 189 D C 0.299 176.508 176.300 -0.151 0.000 1.232 189 D CA -0.551 53.129 54.000 -0.534 0.000 1.059 189 D CB 0.328 40.538 40.800 -0.984 0.000 1.104 189 D HN 0.385 nan 8.370 nan 0.000 0.566 190 N N -1.177 117.438 118.700 -0.140 0.000 2.585 190 N HA -0.061 4.679 4.740 -0.000 0.000 0.188 190 N C 0.659 176.145 175.510 -0.040 0.000 1.102 190 N CA 0.708 53.729 53.050 -0.049 0.000 0.920 190 N CB -0.043 38.425 38.487 -0.032 0.000 0.963 190 N HN 0.379 nan 8.380 nan 0.000 0.447 191 K N -0.969 119.401 120.400 -0.050 0.000 2.358 191 K HA 0.235 4.555 4.320 -0.000 0.000 0.200 191 K C 0.742 177.323 176.600 -0.032 0.000 1.030 191 K CA 0.292 56.560 56.287 -0.032 0.000 1.097 191 K CB 0.743 33.228 32.500 -0.024 0.000 0.862 191 K HN 0.175 nan 8.250 nan 0.000 0.534 192 G N 1.334 110.116 108.800 -0.030 0.000 2.175 192 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 192 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 192 G C 0.191 175.100 174.900 0.015 0.000 0.982 192 G CA 0.097 45.169 45.100 -0.047 0.000 0.641 192 G HN 0.256 nan 8.290 nan 0.000 0.527 193 T N 1.450 116.019 114.554 0.025 0.000 2.870 193 T HA 0.419 4.769 4.350 -0.000 0.000 0.300 193 T C 0.657 175.396 174.700 0.064 0.000 0.989 193 T CA -0.035 62.067 62.100 0.003 0.000 1.139 193 T CB 1.307 70.125 68.868 -0.083 0.000 0.920 193 T HN 0.494 nan 8.240 nan 0.000 0.537 194 R N 2.806 123.382 120.500 0.127 0.000 2.390 194 R HA 0.179 4.519 4.340 -0.000 0.000 0.291 194 R C -0.569 175.686 176.300 -0.076 0.000 1.070 194 R CA -0.412 55.787 56.100 0.165 0.000 1.014 194 R CB 0.377 30.825 30.300 0.247 0.000 1.007 194 R HN 0.694 nan 8.270 nan 0.000 0.466 195 H N 1.415 120.566 119.070 0.134 0.000 2.569 195 H HA 0.675 5.231 4.556 -0.000 0.000 0.357 195 H C -0.661 174.708 175.328 0.067 0.000 1.153 195 H CA -0.406 55.705 56.048 0.105 0.000 1.193 195 H CB 2.173 32.015 29.762 0.134 0.000 1.602 195 H HN 0.794 nan 8.280 nan 0.000 0.523 196 A N 0.659 123.574 122.820 0.159 0.000 2.529 196 A HA 0.598 4.918 4.320 -0.000 0.000 0.296 196 A C 0.726 178.351 177.584 0.069 0.000 1.205 196 A CA 0.045 52.153 52.037 0.117 0.000 0.671 196 A CB 0.189 19.279 19.000 0.149 0.000 1.301 196 A HN 0.645 nan 8.150 nan 0.000 0.450 197 A N 0.111 122.974 122.820 0.072 0.000 1.978 197 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 197 A C 1.537 179.120 177.584 -0.002 0.000 1.170 197 A CA 2.374 54.441 52.037 0.050 0.000 0.636 197 A CB -0.919 18.121 19.000 0.067 0.000 0.810 197 A HN 0.946 nan 8.150 nan 0.000 0.448 198 D N 0.072 120.470 120.400 -0.005 0.000 2.182 198 D HA -0.223 4.417 4.640 -0.000 0.000 0.201 198 D C 1.413 177.583 176.300 -0.218 0.000 0.986 198 D CA 1.535 55.447 54.000 -0.147 0.000 0.847 198 D CB -0.709 40.083 40.800 -0.012 0.000 0.942 198 D HN 0.647 nan 8.370 nan 0.000 0.467 199 E N 0.099 120.247 120.200 -0.087 0.000 2.268 199 E HA -0.016 4.334 4.350 -0.000 0.000 0.195 199 E C 2.244 178.792 176.600 -0.086 0.000 0.995 199 E CA 0.157 56.497 56.400 -0.100 0.000 0.836 199 E CB -0.056 29.506 29.700 -0.229 0.000 0.763 199 E HN 0.381 nan 8.360 nan 0.000 0.491 200 L N 0.546 121.721 121.223 -0.081 0.000 2.465 200 L HA -0.112 4.228 4.340 -0.000 0.000 0.224 200 L C 2.043 178.938 176.870 0.041 0.000 1.145 200 L CA 0.368 55.170 54.840 -0.063 0.000 0.834 200 L CB -0.223 41.869 42.059 0.054 0.000 0.944 200 L HN 0.201 nan 8.230 nan 0.000 0.451 201 L N -0.301 120.926 121.223 0.006 0.000 2.201 201 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 201 L C 2.045 179.073 176.870 0.263 0.000 1.105 201 L CA 0.687 55.588 54.840 0.101 0.000 0.775 201 L CB -0.538 41.480 42.059 -0.070 0.000 0.913 201 L HN 0.384 nan 8.230 nan 0.000 0.440 202 N N 0.407 119.225 118.700 0.196 0.000 2.453 202 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 202 N C 1.348 176.941 175.510 0.138 0.000 1.041 202 N CA 0.897 54.076 53.050 0.216 0.000 0.900 202 N CB -0.001 38.557 38.487 0.118 0.000 0.961 202 N HN 0.435 nan 8.380 nan 0.000 0.443 203 K N 0.452 120.906 120.400 0.091 0.000 2.444 203 K HA 0.099 4.419 4.320 -0.000 0.000 0.193 203 K C 1.218 177.930 176.600 0.187 0.000 1.024 203 K CA -0.078 56.269 56.287 0.100 0.000 1.077 203 K CB 0.375 32.895 32.500 0.035 0.000 0.833 203 K HN 0.052 nan 8.250 nan 0.000 0.517 204 G N 1.397 110.296 108.800 0.164 0.000 2.588 204 G HA2 0.001 3.961 3.960 -0.000 0.000 0.281 204 G HA3 0.001 3.961 3.960 -0.000 0.000 0.281 204 G C -0.496 174.419 174.900 0.026 0.000 1.236 204 G CA -0.499 44.651 45.100 0.083 0.000 0.969 204 G HN 0.070 nan 8.290 nan 0.000 0.504 205 N N -0.292 118.379 118.700 -0.047 0.000 2.414 205 N HA 0.081 4.821 4.740 -0.000 0.000 0.256 205 N C 1.176 176.589 175.510 -0.162 0.000 1.029 205 N CA -0.257 52.759 53.050 -0.055 0.000 0.948 205 N CB 1.324 39.784 38.487 -0.045 0.000 1.102 205 N HN 0.171 nan 8.380 nan 0.000 0.496 206 S N 2.984 118.634 115.700 -0.084 0.000 2.500 206 S HA -0.121 4.349 4.470 -0.000 0.000 0.239 206 S C 1.304 175.867 174.600 -0.061 0.000 0.989 206 S CA 0.715 58.857 58.200 -0.096 0.000 0.951 206 S CB -0.084 63.244 63.200 0.214 0.000 0.759 206 S HN 0.684 nan 8.310 nan 0.000 0.523 207 N N 0.988 119.664 118.700 -0.040 0.000 2.282 207 N HA 0.119 4.859 4.740 -0.000 0.000 0.185 207 N C 0.853 176.357 175.510 -0.010 0.000 1.099 207 N CA 0.292 53.345 53.050 0.004 0.000 0.878 207 N CB 0.195 38.693 38.487 0.018 0.000 0.993 207 N HN 0.139 nan 8.380 nan 0.000 0.481 208 N N -0.567 118.097 118.700 -0.059 0.000 2.257 208 N HA 0.123 4.863 4.740 -0.000 0.000 0.200 208 N C -0.834 174.653 175.510 -0.037 0.000 1.163 208 N CA -0.114 52.925 53.050 -0.017 0.000 0.891 208 N CB 0.924 39.406 38.487 -0.009 0.000 1.067 208 N HN 0.144 nan 8.380 nan 0.000 0.497 209 L N 1.585 122.678 121.223 -0.216 0.000 2.295 209 L HA 0.450 4.790 4.340 -0.000 0.000 0.285 209 L C -0.560 176.171 176.870 -0.231 0.000 1.035 209 L CA -0.346 54.323 54.840 -0.284 0.000 0.806 209 L CB 0.885 42.641 42.059 -0.504 0.000 1.214 209 L HN -0.094 nan 8.230 nan 0.000 0.426 210 R N 3.871 124.389 120.500 0.031 0.000 2.628 210 R HA 0.746 5.086 4.340 -0.000 0.000 0.288 210 R C -1.614 174.824 176.300 0.229 0.000 0.980 210 R CA -0.928 55.327 56.100 0.258 0.000 0.891 210 R CB 2.355 32.786 30.300 0.218 0.000 1.188 210 R HN 0.431 nan 8.270 nan 0.000 0.450 211 V N 1.372 121.521 119.914 0.391 0.000 2.540 211 V HA 0.603 4.723 4.120 -0.000 0.000 0.302 211 V C 0.174 176.384 176.094 0.193 0.000 1.035 211 V CA -0.771 61.664 62.300 0.225 0.000 0.873 211 V CB 1.993 33.960 31.823 0.241 0.000 0.992 211 V HN 0.950 nan 8.190 nan 0.000 0.428 212 G N 3.265 112.087 108.800 0.036 0.000 2.417 212 G HA2 0.657 4.617 3.960 -0.000 0.000 0.320 212 G HA3 0.657 4.617 3.960 -0.000 0.000 0.320 212 G C -0.626 174.246 174.900 -0.047 0.000 1.204 212 G CA -0.473 44.628 45.100 0.002 0.000 0.923 212 G HN 0.869 nan 8.290 nan 0.000 0.466 213 V N -0.029 119.866 119.914 -0.031 0.000 2.975 213 V HA 0.648 4.768 4.120 -0.000 0.000 0.318 213 V C 0.617 176.668 176.094 -0.072 0.000 1.077 213 V CA -0.937 61.286 62.300 -0.129 0.000 1.000 213 V CB 0.888 32.554 31.823 -0.262 0.000 1.066 213 V HN 1.027 nan 8.190 nan 0.000 0.452 214 H N -0.378 118.712 119.070 0.034 0.000 2.791 214 H HA -0.089 4.466 4.556 -0.000 0.000 0.302 214 H C 0.333 175.677 175.328 0.027 0.000 1.198 214 H CA 0.498 56.569 56.048 0.039 0.000 1.145 214 H CB -1.129 28.662 29.762 0.049 0.000 1.385 214 H HN 1.266 nan 8.280 nan 0.000 0.409 215 A N 1.289 124.154 122.820 0.075 0.000 2.328 215 A HA 0.510 4.830 4.320 -0.000 0.000 0.318 215 A C 0.218 177.827 177.584 0.042 0.000 1.347 215 A CA -0.054 52.003 52.037 0.032 0.000 0.842 215 A CB 1.131 20.015 19.000 -0.193 0.000 1.148 215 A HN 0.272 nan 8.150 nan 0.000 0.499 216 S N 2.745 118.507 115.700 0.103 0.000 2.400 216 S HA 0.373 4.843 4.470 -0.000 0.000 0.295 216 S C -0.056 174.605 174.600 0.103 0.000 1.113 216 S CA -0.344 57.905 58.200 0.081 0.000 1.064 216 S CB -0.275 62.970 63.200 0.075 0.000 0.990 216 S HN 0.588 nan 8.310 nan 0.000 0.502 217 V N 6.784 126.738 119.914 0.066 0.000 2.439 217 V HA 0.159 4.279 4.120 -0.000 0.000 0.271 217 V C 1.063 177.186 176.094 0.048 0.000 1.040 217 V CA 0.194 62.537 62.300 0.071 0.000 1.002 217 V CB 0.697 32.531 31.823 0.018 0.000 1.000 217 V HN 0.929 nan 8.190 nan 0.000 0.477 218 E N 3.931 124.161 120.200 0.050 0.000 2.307 218 E HA 0.114 4.464 4.350 -0.000 0.000 0.195 218 E C 0.446 177.061 176.600 0.025 0.000 0.975 218 E CA 0.245 56.665 56.400 0.033 0.000 0.878 218 E CB 0.520 30.238 29.700 0.031 0.000 0.845 218 E HN 0.789 nan 8.360 nan 0.000 0.488 219 K N 0.093 120.501 120.400 0.012 0.000 2.660 219 K HA 0.317 4.637 4.320 -0.000 0.000 0.285 219 K C -1.631 174.940 176.600 -0.050 0.000 0.997 219 K CA -0.637 55.653 56.287 0.006 0.000 0.861 219 K CB 0.813 33.330 32.500 0.028 0.000 1.469 219 K HN -0.151 nan 8.250 nan 0.000 0.395 220 I N 2.896 123.420 120.570 -0.077 0.000 2.396 220 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 220 I C -0.017 175.851 176.117 -0.416 0.000 0.999 220 I CA -0.968 60.162 61.300 -0.282 0.000 1.310 220 I CB 1.003 38.785 38.000 -0.364 0.000 1.404 220 I HN 0.430 nan 8.210 nan 0.000 0.496 221 I N 5.688 125.981 120.570 -0.463 0.000 2.385 221 I HA 0.372 4.542 4.170 -0.000 0.000 0.294 221 I C -0.586 175.235 176.117 -0.493 0.000 0.988 221 I CA -0.211 60.909 61.300 -0.300 0.000 1.265 221 I CB 0.831 38.749 38.000 -0.136 0.000 1.388 221 I HN 0.341 nan 8.210 nan 0.000 0.480 222 F N 2.860 122.843 119.950 0.056 0.000 2.631 222 F HA 0.701 5.228 4.527 -0.000 0.000 0.328 222 F C 0.304 176.140 175.800 0.060 0.000 1.067 222 F CA -0.440 57.592 58.000 0.054 0.000 0.969 222 F CB 2.119 41.143 39.000 0.040 0.000 1.332 222 F HN 0.507 nan 8.300 nan 0.000 0.490 223 S N -0.011 115.852 115.700 0.272 0.000 2.643 223 S HA 0.572 5.042 4.470 -0.000 0.000 0.270 223 S C -1.945 172.730 174.600 0.124 0.000 1.166 223 S CA -1.094 57.200 58.200 0.157 0.000 0.815 223 S CB 1.751 65.018 63.200 0.111 0.000 1.139 223 S HN 0.495 nan 8.310 nan 0.000 0.472 224 N N 0.596 119.342 118.700 0.077 0.000 2.696 224 N HA 0.679 5.419 4.740 -0.000 0.000 0.246 224 N C -0.977 174.556 175.510 0.039 0.000 1.057 224 N CA -0.233 52.850 53.050 0.054 0.000 0.867 224 N CB 1.662 40.171 38.487 0.037 0.000 1.141 224 N HN 0.902 nan 8.380 nan 0.000 0.517 225 A N 2.046 124.889 122.820 0.038 0.000 3.204 225 A HA 0.372 4.692 4.320 -0.000 0.000 0.327 225 A C -1.318 176.277 177.584 0.018 0.000 0.998 225 A CA -0.695 51.356 52.037 0.023 0.000 0.891 225 A CB 0.172 19.184 19.000 0.020 0.000 1.061 225 A HN 0.462 nan 8.150 nan 0.000 0.478 226 P HA 0.167 nan 4.420 nan 0.000 0.238 226 P C 0.823 178.135 177.300 0.021 0.000 1.183 226 P CA 0.584 63.694 63.100 0.016 0.000 0.813 226 P CB 0.467 32.172 31.700 0.010 0.000 0.944 227 G N 1.271 110.085 108.800 0.024 0.000 2.528 227 G HA2 0.394 4.354 3.960 -0.000 0.000 0.289 227 G HA3 0.394 4.354 3.960 -0.000 0.000 0.289 227 G C -0.713 174.214 174.900 0.045 0.000 1.192 227 G CA -0.555 44.562 45.100 0.027 0.000 0.921 227 G HN 0.174 nan 8.290 nan 0.000 0.512 228 L N 0.677 121.925 121.223 0.042 0.000 2.584 228 L HA 0.442 4.782 4.340 -0.000 0.000 0.272 228 L C 0.571 177.511 176.870 0.117 0.000 1.195 228 L CA 0.790 55.668 54.840 0.064 0.000 0.920 228 L CB 0.401 42.465 42.059 0.009 0.000 1.173 228 L HN 0.556 nan 8.230 nan 0.000 0.489 229 T N 4.229 118.900 114.554 0.194 0.000 2.932 229 T HA 0.746 5.096 4.350 -0.000 0.000 0.318 229 T C -0.880 173.989 174.700 0.281 0.000 1.265 229 T CA -0.186 62.036 62.100 0.204 0.000 1.036 229 T CB 1.028 69.960 68.868 0.108 0.000 1.209 229 T HN 0.956 nan 8.240 nan 0.000 0.484 230 A N 2.265 125.197 122.820 0.187 0.000 2.409 230 A HA 0.545 4.865 4.320 -0.000 0.000 0.262 230 A C 1.384 178.931 177.584 -0.061 0.000 1.113 230 A CA 0.321 52.300 52.037 -0.097 0.000 0.790 230 A CB 0.110 19.018 19.000 -0.153 0.000 1.046 230 A HN 1.102 nan 8.150 nan 0.000 0.496 231 T N -0.494 114.010 114.554 -0.084 0.000 2.985 231 T HA 0.545 4.894 4.350 -0.000 0.000 0.254 231 T C 0.788 175.533 174.700 0.076 0.000 1.021 231 T CA 0.728 62.866 62.100 0.064 0.000 0.957 231 T CB 0.075 69.054 68.868 0.185 0.000 1.047 231 T HN 2.028 nan 8.240 nan 0.000 0.511 232 G N 0.797 109.515 108.800 -0.137 0.000 2.344 232 G HA2 0.447 4.407 3.960 -0.000 0.000 0.282 232 G HA3 0.447 4.407 3.960 -0.000 0.000 0.282 232 G C -1.629 173.082 174.900 -0.316 0.000 1.281 232 G CA -0.111 44.831 45.100 -0.264 0.000 0.877 232 G HN 1.136 nan 8.290 nan 0.000 0.494 233 V N -2.390 117.332 119.914 -0.321 0.000 3.188 233 V HA 0.874 4.994 4.120 -0.000 0.000 0.305 233 V C -0.787 175.216 176.094 -0.151 0.000 1.232 233 V CA -1.226 60.957 62.300 -0.196 0.000 1.043 233 V CB 1.824 33.592 31.823 -0.091 0.000 1.068 233 V HN 0.942 nan 8.190 nan 0.000 0.439 234 I N 3.241 123.766 120.570 -0.076 0.000 2.404 234 I HA 0.658 4.828 4.170 -0.000 0.000 0.293 234 I C -0.864 175.287 176.117 0.056 0.000 0.992 234 I CA -0.642 60.622 61.300 -0.061 0.000 1.149 234 I CB 1.674 39.637 38.000 -0.062 0.000 1.315 234 I HN 0.926 nan 8.210 nan 0.000 0.446 235 Y N 4.162 124.445 120.300 -0.027 0.000 2.545 235 Y HA 0.767 5.317 4.550 -0.000 0.000 0.348 235 Y C -0.856 175.045 175.900 0.003 0.000 1.002 235 Y CA -1.316 56.767 58.100 -0.028 0.000 1.039 235 Y CB 1.198 39.620 38.460 -0.063 0.000 1.271 235 Y HN 0.434 nan 8.280 nan 0.000 0.467 236 R N 1.841 122.420 120.500 0.131 0.000 2.637 236 R HA 0.365 4.705 4.340 -0.000 0.000 0.291 236 R C -1.318 175.043 176.300 0.102 0.000 0.963 236 R CA -0.691 55.452 56.100 0.072 0.000 0.901 236 R CB 1.280 31.616 30.300 0.060 0.000 1.160 236 R HN 1.009 nan 8.270 nan 0.000 0.457 237 D N 0.832 121.276 120.400 0.073 0.000 2.478 237 D HA 0.052 4.692 4.640 -0.000 0.000 0.263 237 D C 0.789 177.135 176.300 0.075 0.000 1.153 237 D CA -0.495 53.552 54.000 0.077 0.000 1.038 237 D CB 0.908 41.749 40.800 0.069 0.000 1.120 237 D HN 0.416 nan 8.370 nan 0.000 0.564 238 S N -0.695 115.042 115.700 0.061 0.000 2.469 238 S HA -0.173 4.297 4.470 -0.000 0.000 0.238 238 S C 0.979 175.593 174.600 0.023 0.000 0.998 238 S CA 0.474 58.684 58.200 0.016 0.000 0.957 238 S CB -0.587 62.584 63.200 -0.049 0.000 0.764 238 S HN 0.477 nan 8.310 nan 0.000 0.514 239 N N 1.252 119.981 118.700 0.048 0.000 2.336 239 N HA 0.181 4.921 4.740 -0.000 0.000 0.189 239 N C 1.304 176.840 175.510 0.043 0.000 1.113 239 N CA 0.790 53.866 53.050 0.044 0.000 0.858 239 N CB 0.340 38.862 38.487 0.057 0.000 0.970 239 N HN 0.686 nan 8.380 nan 0.000 0.471 240 G N 0.294 109.124 108.800 0.050 0.000 2.157 240 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.248 240 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.248 240 G C 0.089 175.019 174.900 0.051 0.000 0.979 240 G CA 0.355 45.481 45.100 0.043 0.000 0.650 240 G HN 0.304 nan 8.290 nan 0.000 0.529 241 T N 3.878 118.480 114.554 0.080 0.000 2.794 241 T HA 0.522 4.872 4.350 -0.000 0.000 0.296 241 T C -2.020 172.762 174.700 0.136 0.000 0.949 241 T CA -0.472 61.676 62.100 0.080 0.000 1.101 241 T CB 2.210 71.128 68.868 0.084 0.000 0.905 241 T HN 0.255 nan 8.240 nan 0.000 0.516 242 P HA 0.319 nan 4.420 nan 0.000 0.288 242 P C -0.810 176.456 177.300 -0.056 0.000 1.267 242 P CA -0.502 62.605 63.100 0.012 0.000 0.815 242 P CB 1.063 32.744 31.700 -0.031 0.000 0.989 243 H N 0.872 119.638 119.070 -0.507 0.000 2.771 243 H HA 0.437 4.993 4.556 -0.000 0.000 0.367 243 H C -0.224 174.740 175.328 -0.606 0.000 1.172 243 H CA -0.805 54.867 56.048 -0.627 0.000 1.186 243 H CB 2.336 31.450 29.762 -1.080 0.000 1.790 243 H HN 0.424 nan 8.280 nan 0.000 0.556 244 Q N 0.486 120.174 119.800 -0.187 0.000 2.347 244 Q HA 0.618 4.958 4.340 -0.000 0.000 0.271 244 Q C -1.460 174.529 176.000 -0.018 0.000 1.064 244 Q CA -1.005 54.694 55.803 -0.174 0.000 0.800 244 Q CB 3.182 31.838 28.738 -0.136 0.000 1.304 244 Q HN 0.664 nan 8.270 nan 0.000 0.438 245 A N 2.730 125.487 122.820 -0.105 0.000 2.332 245 A HA 0.758 5.078 4.320 -0.000 0.000 0.300 245 A C -1.431 176.049 177.584 -0.172 0.000 1.153 245 A CA -0.393 51.703 52.037 0.098 0.000 0.764 245 A CB 0.430 19.551 19.000 0.201 0.000 1.174 245 A HN 0.587 nan 8.150 nan 0.000 0.467 246 F N 1.306 121.353 119.950 0.162 0.000 2.483 246 F HA 0.624 5.151 4.527 -0.000 0.000 0.329 246 F C 0.564 176.413 175.800 0.081 0.000 1.064 246 F CA -0.686 57.359 58.000 0.076 0.000 0.986 246 F CB 2.171 41.190 39.000 0.031 0.000 1.218 246 F HN 0.491 nan 8.300 nan 0.000 0.484 247 V N -0.187 119.850 119.914 0.206 0.000 2.630 247 V HA 0.673 4.793 4.120 -0.000 0.000 0.305 247 V C -0.168 175.941 176.094 0.024 0.000 1.046 247 V CA -1.173 61.167 62.300 0.066 0.000 0.934 247 V CB 1.488 33.281 31.823 -0.052 0.000 1.003 247 V HN 0.754 nan 8.190 nan 0.000 0.451 248 R N 1.539 122.016 120.500 -0.038 0.000 2.531 248 R HA 0.483 4.823 4.340 -0.000 0.000 0.260 248 R C 0.552 176.797 176.300 -0.091 0.000 1.144 248 R CA -0.388 55.681 56.100 -0.051 0.000 1.171 248 R CB 0.764 31.037 30.300 -0.045 0.000 1.199 248 R HN 0.885 nan 8.270 nan 0.000 0.594 249 S N 0.543 116.201 115.700 -0.069 0.000 2.593 249 S HA -0.083 4.387 4.470 -0.000 0.000 0.300 249 S C 0.173 174.705 174.600 -0.113 0.000 1.267 249 S CA 0.794 58.952 58.200 -0.070 0.000 1.065 249 S CB -0.011 63.163 63.200 -0.044 0.000 0.807 249 S HN 0.652 nan 8.310 nan 0.000 0.499 250 K N 0.753 121.087 120.400 -0.111 0.000 3.584 250 K HA -0.167 4.153 4.320 -0.000 0.000 0.300 250 K C 0.720 177.166 176.600 -0.256 0.000 1.285 250 K CA 1.050 57.254 56.287 -0.137 0.000 1.008 250 K CB -2.223 30.206 32.500 -0.118 0.000 1.271 250 K HN 0.754 nan 8.250 nan 0.000 0.447 251 G N 0.921 109.512 108.800 -0.348 0.000 2.580 251 G HA2 0.472 4.432 3.960 -0.000 0.000 0.278 251 G HA3 0.472 4.432 3.960 -0.000 0.000 0.278 251 G C -0.507 174.135 174.900 -0.429 0.000 1.212 251 G CA -0.316 44.385 45.100 -0.665 0.000 0.939 251 G HN 0.201 nan 8.290 nan 0.000 0.513 252 E N -1.746 118.167 120.200 -0.478 0.000 2.412 252 E HA 0.388 4.737 4.350 -0.000 0.000 0.279 252 E C -1.477 175.126 176.600 0.003 0.000 0.984 252 E CA -0.819 55.525 56.400 -0.093 0.000 0.788 252 E CB 2.646 32.397 29.700 0.085 0.000 1.277 252 E HN 0.235 nan 8.360 nan 0.000 0.455 253 V N 2.604 122.521 119.914 0.004 0.000 2.407 253 V HA 0.412 4.532 4.120 -0.000 0.000 0.278 253 V C -0.324 175.785 176.094 0.024 0.000 1.037 253 V CA -0.328 61.969 62.300 -0.005 0.000 0.900 253 V CB 0.754 32.538 31.823 -0.065 0.000 0.983 253 V HN 0.467 nan 8.190 nan 0.000 0.459 254 I N 5.186 125.771 120.570 0.026 0.000 2.418 254 I HA 0.418 4.588 4.170 -0.000 0.000 0.287 254 I C -0.519 175.592 176.117 -0.010 0.000 1.008 254 I CA -0.800 60.510 61.300 0.016 0.000 1.104 254 I CB 2.104 40.111 38.000 0.012 0.000 1.264 254 I HN 0.246 nan 8.210 nan 0.000 0.438 255 V N 4.979 124.888 119.914 -0.008 0.000 2.383 255 V HA 0.268 4.388 4.120 -0.000 0.000 0.275 255 V C 0.455 176.537 176.094 -0.020 0.000 1.036 255 V CA -0.059 62.233 62.300 -0.014 0.000 0.889 255 V CB 1.221 33.041 31.823 -0.004 0.000 0.985 255 V HN 0.841 nan 8.190 nan 0.000 0.459 256 S N 3.042 118.726 115.700 -0.027 0.000 2.740 256 S HA 0.300 4.770 4.470 -0.000 0.000 0.244 256 S C 1.158 175.746 174.600 -0.020 0.000 1.101 256 S CA 0.278 58.459 58.200 -0.032 0.000 1.123 256 S CB 1.036 64.212 63.200 -0.041 0.000 1.012 256 S HN 0.893 nan 8.310 nan 0.000 0.491 257 A N 1.351 124.165 122.820 -0.010 0.000 2.259 257 A HA 0.616 4.936 4.320 -0.000 0.000 0.208 257 A C 1.258 178.854 177.584 0.019 0.000 1.201 257 A CA 0.390 52.428 52.037 0.002 0.000 0.824 257 A CB -0.733 18.267 19.000 0.001 0.000 0.838 257 A HN 1.067 nan 8.150 nan 0.000 0.485 258 G N -2.046 106.762 108.800 0.014 0.000 2.756 258 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.678 258 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.678 258 G C 0.537 175.478 174.900 0.068 0.000 1.349 258 G CA -0.174 44.951 45.100 0.041 0.000 0.847 258 G HN 0.427 nan 8.290 nan 0.000 0.548 259 T N 0.340 114.975 114.554 0.136 0.000 2.737 259 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 259 T C 2.407 177.179 174.700 0.121 0.000 1.040 259 T CA 1.907 64.119 62.100 0.186 0.000 1.142 259 T CB -0.149 68.955 68.868 0.393 0.000 0.861 259 T HN 0.441 nan 8.240 nan 0.000 0.456 260 I N 0.692 121.311 120.570 0.082 0.000 2.429 260 I HA 0.125 4.295 4.170 -0.000 0.000 0.247 260 I C 2.906 179.000 176.117 -0.039 0.000 1.099 260 I CA 1.071 62.340 61.300 -0.052 0.000 1.422 260 I CB -1.763 36.119 38.000 -0.197 0.000 1.112 260 I HN 0.284 nan 8.210 nan 0.000 0.430 261 G N 0.516 109.313 108.800 -0.006 0.000 2.408 261 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 261 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 261 G C 1.679 176.579 174.900 0.001 0.000 1.150 261 G CA 1.222 46.319 45.100 -0.005 0.000 0.776 261 G HN 0.288 nan 8.290 nan 0.000 0.542 262 T N 1.919 116.479 114.554 0.009 0.000 2.701 262 T HA -0.052 4.298 4.350 -0.000 0.000 0.263 262 T C 0.187 174.892 174.700 0.008 0.000 1.040 262 T CA 1.530 63.635 62.100 0.008 0.000 1.147 262 T CB -0.809 68.065 68.868 0.010 0.000 0.865 262 T HN 0.236 nan 8.240 nan 0.000 0.426 263 P HA -0.076 nan 4.420 nan 0.000 0.217 263 P C 1.597 178.898 177.300 0.001 0.000 1.150 263 P CA 0.999 64.098 63.100 -0.001 0.000 0.832 263 P CB -0.072 31.623 31.700 -0.010 0.000 0.787 264 Q N -0.441 119.355 119.800 -0.005 0.000 2.050 264 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 264 Q C 1.974 177.988 176.000 0.023 0.000 0.980 264 Q CA 1.358 57.163 55.803 0.003 0.000 0.840 264 Q CB -0.703 28.026 28.738 -0.015 0.000 0.898 264 Q HN 0.098 nan 8.270 nan 0.000 0.424 265 L N 0.608 121.843 121.223 0.020 0.000 2.093 265 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 265 L C 2.069 178.970 176.870 0.052 0.000 1.085 265 L CA 1.453 56.311 54.840 0.031 0.000 0.755 265 L CB -0.431 41.640 42.059 0.020 0.000 0.904 265 L HN 0.307 nan 8.230 nan 0.000 0.435 266 L N -1.411 119.841 121.223 0.048 0.000 2.017 266 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 266 L C 2.506 179.422 176.870 0.076 0.000 1.073 266 L CA 1.332 56.211 54.840 0.065 0.000 0.745 266 L CB -0.557 41.517 42.059 0.025 0.000 0.894 266 L HN 0.295 nan 8.230 nan 0.000 0.432 267 L N -0.556 120.708 121.223 0.068 0.000 2.017 267 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 267 L C 2.494 179.420 176.870 0.093 0.000 1.073 267 L CA 1.251 56.150 54.840 0.099 0.000 0.745 267 L CB -0.491 41.645 42.059 0.129 0.000 0.894 267 L HN 0.264 nan 8.230 nan 0.000 0.432 268 L N -0.897 120.371 121.223 0.076 0.000 2.265 268 L HA -0.160 4.180 4.340 -0.000 0.000 0.215 268 L C 2.142 179.058 176.870 0.078 0.000 1.117 268 L CA 0.778 55.655 54.840 0.063 0.000 0.782 268 L CB -0.294 41.794 42.059 0.048 0.000 0.914 268 L HN 0.189 nan 8.230 nan 0.000 0.441 269 S N -0.692 115.074 115.700 0.110 0.000 2.575 269 S HA 0.213 4.683 4.470 -0.000 0.000 0.215 269 S C 1.346 176.052 174.600 0.177 0.000 0.966 269 S CA 0.596 58.906 58.200 0.182 0.000 0.911 269 S CB 0.626 63.985 63.200 0.265 0.000 0.780 269 S HN 0.619 nan 8.310 nan 0.000 0.514 270 G N 0.963 109.818 108.800 0.092 0.000 2.132 270 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.234 270 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.234 270 G C -0.053 174.844 174.900 -0.004 0.000 0.989 270 G CA -0.088 45.031 45.100 0.032 0.000 0.676 270 G HN 0.418 nan 8.290 nan 0.000 0.522 271 V N 0.731 120.663 119.914 0.030 0.000 2.293 271 V HA 0.833 4.953 4.120 -0.000 0.000 0.275 271 V C 0.783 176.913 176.094 0.060 0.000 1.021 271 V CA 0.540 62.854 62.300 0.023 0.000 0.815 271 V CB 0.639 32.467 31.823 0.008 0.000 1.025 271 V HN 1.448 nan 8.190 nan 0.000 0.448 272 G N 5.846 114.700 108.800 0.090 0.000 2.325 272 G HA2 0.403 4.363 3.960 -0.000 0.000 0.295 272 G HA3 0.403 4.363 3.960 -0.000 0.000 0.295 272 G C -3.504 171.438 174.900 0.071 0.000 1.274 272 G CA -0.869 44.286 45.100 0.090 0.000 0.857 272 G HN 0.351 nan 8.290 nan 0.000 0.499 273 P HA 0.206 nan 4.420 nan 0.000 0.262 273 P C 0.583 177.921 177.300 0.064 0.000 1.199 273 P CA 0.284 63.396 63.100 0.020 0.000 0.763 273 P CB 1.390 33.088 31.700 -0.003 0.000 0.790 274 E N 4.203 124.410 120.200 0.011 0.000 2.048 274 E HA -0.287 4.063 4.350 -0.000 0.000 0.202 274 E C 1.701 178.310 176.600 0.014 0.000 1.021 274 E CA 2.742 59.144 56.400 0.003 0.000 0.825 274 E CB -0.602 29.084 29.700 -0.023 0.000 0.756 274 E HN 0.422 nan 8.360 nan 0.000 0.454 275 S N -1.002 114.710 115.700 0.021 0.000 2.382 275 S HA -0.229 4.241 4.470 -0.000 0.000 0.228 275 S C 2.158 176.784 174.600 0.043 0.000 1.027 275 S CA 1.117 59.329 58.200 0.021 0.000 0.991 275 S CB -0.872 62.340 63.200 0.020 0.000 0.823 275 S HN 0.537 nan 8.310 nan 0.000 0.469 276 Y N 2.506 122.784 120.300 -0.038 0.000 2.133 276 Y HA 0.052 4.602 4.550 -0.000 0.000 0.287 276 Y C 2.071 177.954 175.900 -0.027 0.000 1.134 276 Y CA 1.368 59.448 58.100 -0.034 0.000 1.133 276 Y CB -0.546 37.890 38.460 -0.039 0.000 0.987 276 Y HN 0.196 nan 8.280 nan 0.000 0.502 277 L N -0.823 120.373 121.223 -0.045 0.000 2.042 277 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 277 L C 2.527 179.309 176.870 -0.146 0.000 1.076 277 L CA 1.654 56.419 54.840 -0.124 0.000 0.749 277 L CB -0.844 41.216 42.059 0.002 0.000 0.893 277 L HN 0.164 nan 8.230 nan 0.000 0.432 278 S N -0.124 115.523 115.700 -0.088 0.000 2.370 278 S HA -0.194 4.276 4.470 -0.000 0.000 0.226 278 S C 2.174 176.714 174.600 -0.100 0.000 1.033 278 S CA 1.604 59.759 58.200 -0.075 0.000 1.011 278 S CB -0.328 62.845 63.200 -0.045 0.000 0.852 278 S HN 0.644 nan 8.310 nan 0.000 0.457 279 S N 1.506 117.128 115.700 -0.131 0.000 2.419 279 S HA 0.030 4.500 4.470 -0.000 0.000 0.233 279 S C 1.408 175.910 174.600 -0.163 0.000 1.016 279 S CA 0.822 58.943 58.200 -0.132 0.000 0.974 279 S CB -0.482 62.639 63.200 -0.132 0.000 0.786 279 S HN 0.488 nan 8.310 nan 0.000 0.492 280 L N 0.841 121.927 121.223 -0.228 0.000 2.667 280 L HA 0.367 4.707 4.340 -0.000 0.000 0.232 280 L C 0.210 177.005 176.870 -0.125 0.000 1.138 280 L CA -0.089 54.632 54.840 -0.200 0.000 0.921 280 L CB -0.849 41.032 42.059 -0.297 0.000 1.180 280 L HN 0.338 nan 8.230 nan 0.000 0.487 281 N N 0.210 118.848 118.700 -0.102 0.000 2.776 281 N HA -0.179 4.561 4.740 -0.000 0.000 0.250 281 N C -0.101 175.377 175.510 -0.055 0.000 1.112 281 N CA 0.071 53.082 53.050 -0.065 0.000 0.733 281 N CB -1.012 37.444 38.487 -0.050 0.000 1.097 281 N HN 0.277 nan 8.380 nan 0.000 0.558 282 I N 1.388 121.917 120.570 -0.068 0.000 2.312 282 I HA 0.232 4.402 4.170 -0.000 0.000 0.291 282 I C -1.981 174.120 176.117 -0.027 0.000 1.031 282 I CA -1.758 59.517 61.300 -0.040 0.000 1.293 282 I CB 0.772 38.746 38.000 -0.044 0.000 1.403 282 I HN -0.231 nan 8.210 nan 0.000 0.484 283 P HA -0.021 nan 4.420 nan 0.000 0.262 283 P C -0.557 176.735 177.300 -0.015 0.000 1.182 283 P CA -0.058 63.036 63.100 -0.010 0.000 0.761 283 P CB 0.359 32.061 31.700 0.004 0.000 0.795 284 V N 5.307 125.206 119.914 -0.026 0.000 2.427 284 V HA -0.016 4.104 4.120 -0.000 0.000 0.268 284 V C 1.539 177.593 176.094 -0.067 0.000 1.046 284 V CA 0.216 62.494 62.300 -0.037 0.000 0.970 284 V CB 1.031 32.834 31.823 -0.033 0.000 1.001 284 V HN 0.405 nan 8.190 nan 0.000 0.476 285 V N 5.418 125.263 119.914 -0.114 0.000 2.426 285 V HA 0.176 4.296 4.120 -0.000 0.000 0.242 285 V C 0.302 176.276 176.094 -0.200 0.000 1.036 285 V CA 1.027 63.193 62.300 -0.224 0.000 1.044 285 V CB 0.202 31.726 31.823 -0.498 0.000 0.688 285 V HN 0.626 nan 8.190 nan 0.000 0.462 286 L N -0.784 120.353 121.223 -0.144 0.000 2.588 286 L HA 0.466 4.806 4.340 -0.000 0.000 0.263 286 L C -0.370 176.488 176.870 -0.020 0.000 0.935 286 L CA -0.072 54.722 54.840 -0.077 0.000 0.891 286 L CB 1.906 43.938 42.059 -0.044 0.000 1.318 286 L HN -0.036 nan 8.230 nan 0.000 0.409 287 S N 4.056 119.722 115.700 -0.057 0.000 2.481 287 S HA 0.275 4.745 4.470 -0.000 0.000 0.282 287 S C -0.552 173.984 174.600 -0.106 0.000 1.243 287 S CA 0.146 58.310 58.200 -0.059 0.000 1.078 287 S CB -0.244 62.907 63.200 -0.083 0.000 0.916 287 S HN 0.628 nan 8.310 nan 0.000 0.495 288 H N 5.792 124.821 119.070 -0.068 0.000 2.761 288 H HA 0.272 4.828 4.556 -0.000 0.000 0.263 288 H C -2.190 173.063 175.328 -0.124 0.000 1.292 288 H CA -1.553 54.455 56.048 -0.067 0.000 1.540 288 H CB 1.685 31.434 29.762 -0.022 0.000 1.569 288 H HN 0.451 nan 8.280 nan 0.000 0.510 289 P HA -0.173 nan 4.420 nan 0.000 0.217 289 P C 0.581 177.629 177.300 -0.420 0.000 1.148 289 P CA 1.536 64.395 63.100 -0.401 0.000 0.834 289 P CB -0.010 31.270 31.700 -0.700 0.000 0.783 290 Y N -2.461 117.893 120.300 0.090 0.000 2.457 290 Y HA 0.133 4.682 4.550 -0.000 0.000 0.263 290 Y C 0.845 176.763 175.900 0.031 0.000 1.164 290 Y CA -0.733 57.408 58.100 0.069 0.000 1.274 290 Y CB -0.041 38.549 38.460 0.217 0.000 1.097 290 Y HN -0.327 nan 8.280 nan 0.000 0.523 291 V N 1.238 121.218 119.914 0.110 0.000 2.485 291 V HA 0.178 4.298 4.120 -0.000 0.000 0.287 291 V C 1.185 177.265 176.094 -0.024 0.000 1.022 291 V CA 1.237 63.561 62.300 0.039 0.000 1.067 291 V CB 0.230 32.058 31.823 0.009 0.000 0.967 291 V HN 0.722 nan 8.190 nan 0.000 0.479 292 G N 3.665 112.453 108.800 -0.019 0.000 2.176 292 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.253 292 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.253 292 G C 0.147 174.985 174.900 -0.104 0.000 0.979 292 G CA -0.131 44.926 45.100 -0.073 0.000 0.641 292 G HN 0.580 nan 8.290 nan 0.000 0.530 293 Q N -1.070 118.672 119.800 -0.096 0.000 2.215 293 Q HA 0.674 5.014 4.340 -0.000 0.000 0.256 293 Q C 0.785 176.662 176.000 -0.204 0.000 0.972 293 Q CA -0.802 54.821 55.803 -0.299 0.000 0.889 293 Q CB 0.398 28.823 28.738 -0.523 0.000 1.281 293 Q HN 0.731 nan 8.270 nan 0.000 0.456 294 F N -0.415 119.509 119.950 -0.043 0.000 2.985 294 F HA -0.211 4.316 4.527 -0.000 0.000 0.303 294 F C -0.375 175.460 175.800 0.058 0.000 0.976 294 F CA -0.332 57.561 58.000 -0.179 0.000 1.013 294 F CB -1.030 37.835 39.000 -0.225 0.000 1.060 294 F HN 0.262 nan 8.300 nan 0.000 0.780 295 L N 2.320 123.643 121.223 0.167 0.000 2.265 295 L HA 0.358 4.698 4.340 -0.000 0.000 0.288 295 L C 0.613 177.641 176.870 0.263 0.000 1.058 295 L CA 0.317 55.302 54.840 0.242 0.000 0.809 295 L CB 0.532 42.676 42.059 0.142 0.000 1.179 295 L HN 0.281 nan 8.230 nan 0.000 0.429 296 H N 2.338 121.466 119.070 0.096 0.000 2.524 296 H HA 0.338 4.894 4.556 -0.000 0.000 0.353 296 H C -1.067 174.102 175.328 -0.266 0.000 1.136 296 H CA -0.713 55.299 56.048 -0.061 0.000 1.193 296 H CB 2.961 32.562 29.762 -0.268 0.000 1.558 296 H HN 0.408 nan 8.280 nan 0.000 0.515 297 D N 2.045 122.324 120.400 -0.201 0.000 2.575 297 D HA 0.121 4.761 4.640 -0.000 0.000 0.250 297 D C -0.993 175.301 176.300 -0.010 0.000 1.279 297 D CA -0.650 53.145 54.000 -0.341 0.000 0.925 297 D CB 0.707 40.744 40.800 -1.272 0.000 1.261 297 D HN 0.419 nan 8.370 nan 0.000 0.567 298 N N 4.612 123.404 118.700 0.154 0.000 2.447 298 N HA 0.187 4.927 4.740 -0.000 0.000 0.263 298 N C -2.235 173.356 175.510 0.135 0.000 1.226 298 N CA -0.504 52.638 53.050 0.153 0.000 0.906 298 N CB 0.577 39.142 38.487 0.130 0.000 1.060 298 N HN 0.302 nan 8.380 nan 0.000 0.468 299 P HA 0.098 nan 4.420 nan 0.000 0.274 299 P C -0.817 176.537 177.300 0.091 0.000 1.231 299 P CA -0.257 62.871 63.100 0.048 0.000 0.790 299 P CB 0.945 32.572 31.700 -0.120 0.000 0.951 300 R N 2.247 122.786 120.500 0.065 0.000 2.437 300 R HA 0.453 4.793 4.340 -0.000 0.000 0.310 300 R C -0.996 175.408 176.300 0.174 0.000 0.955 300 R CA -0.537 55.675 56.100 0.187 0.000 0.851 300 R CB 0.756 31.056 30.300 0.000 0.000 1.161 300 R HN 0.416 nan 8.270 nan 0.000 0.446 301 N N 2.985 121.814 118.700 0.215 0.000 2.292 301 N HA 0.584 5.324 4.740 -0.000 0.000 0.303 301 N C -1.540 174.096 175.510 0.209 0.000 1.140 301 N CA -0.380 52.724 53.050 0.090 0.000 0.788 301 N CB 1.568 40.120 38.487 0.107 0.000 1.361 301 N HN 0.455 nan 8.380 nan 0.000 0.489 302 F N -1.142 118.897 119.950 0.149 0.000 2.779 302 F HA 0.696 5.223 4.527 -0.000 0.000 0.316 302 F C -1.949 173.984 175.800 0.222 0.000 1.164 302 F CA -1.080 56.972 58.000 0.088 0.000 0.924 302 F CB 1.144 40.026 39.000 -0.198 0.000 1.348 302 F HN 0.085 nan 8.300 nan 0.000 0.467 303 I N 2.516 123.350 120.570 0.440 0.000 2.534 303 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 303 I C -1.513 174.915 176.117 0.517 0.000 1.077 303 I CA -0.818 60.711 61.300 0.381 0.000 1.051 303 I CB 1.844 39.923 38.000 0.132 0.000 1.234 303 I HN 0.616 nan 8.210 nan 0.000 0.425 304 N N 7.254 126.287 118.700 0.555 0.000 2.419 304 N HA 0.565 5.305 4.740 -0.000 0.000 0.277 304 N C -0.436 175.311 175.510 0.395 0.000 1.006 304 N CA -0.339 53.066 53.050 0.592 0.000 0.923 304 N CB 2.546 41.409 38.487 0.626 0.000 1.140 304 N HN 0.568 nan 8.380 nan 0.000 0.488 305 I N -1.328 119.474 120.570 0.388 0.000 2.530 305 I HA 0.549 4.719 4.170 -0.000 0.000 0.297 305 I C -0.920 175.367 176.117 0.283 0.000 1.011 305 I CA -1.016 60.459 61.300 0.291 0.000 1.107 305 I CB 1.542 39.690 38.000 0.246 0.000 1.285 305 I HN 0.165 nan 8.210 nan 0.000 0.436 306 L N 6.130 127.502 121.223 0.248 0.000 2.313 306 L HA 0.520 4.860 4.340 -0.000 0.000 0.273 306 L C -2.354 174.634 176.870 0.196 0.000 1.028 306 L CA -1.625 53.327 54.840 0.186 0.000 0.871 306 L CB 1.029 43.164 42.059 0.127 0.000 1.242 306 L HN 0.403 nan 8.230 nan 0.000 0.434 307 P HA 0.068 nan 4.420 nan 0.000 0.269 307 P C -1.776 175.618 177.300 0.156 0.000 1.209 307 P CA -0.977 62.271 63.100 0.247 0.000 0.776 307 P CB 0.254 32.130 31.700 0.293 0.000 0.876 308 P HA -0.107 nan 4.420 nan 0.000 0.221 308 P C -0.239 177.098 177.300 0.062 0.000 1.150 308 P CA 1.505 64.648 63.100 0.071 0.000 0.800 308 P CB 0.380 32.103 31.700 0.038 0.000 0.787 309 N N 0.279 119.030 118.700 0.084 0.000 2.314 309 N HA 0.343 5.083 4.740 -0.000 0.000 0.304 309 N C -2.709 172.855 175.510 0.090 0.000 1.073 309 N CA -1.895 51.199 53.050 0.073 0.000 0.822 309 N CB 0.899 39.425 38.487 0.065 0.000 1.280 309 N HN -0.073 nan 8.380 nan 0.000 0.489 310 P HA 0.144 nan 4.420 nan 0.000 0.265 310 P C -0.350 176.971 177.300 0.035 0.000 1.193 310 P CA 0.073 63.190 63.100 0.030 0.000 0.765 310 P CB 0.454 32.165 31.700 0.017 0.000 0.823 311 I N -0.808 119.736 120.570 -0.043 0.000 2.693 311 I HA 0.594 4.764 4.170 -0.000 0.000 0.303 311 I C 0.188 176.230 176.117 -0.124 0.000 1.025 311 I CA -1.338 59.914 61.300 -0.081 0.000 1.086 311 I CB 2.003 39.810 38.000 -0.322 0.000 1.268 311 I HN 0.185 nan 8.210 nan 0.000 0.440 312 E N 4.061 124.218 120.200 -0.071 0.000 2.313 312 E HA 0.488 4.838 4.350 -0.000 0.000 0.272 312 E C -2.825 173.685 176.600 -0.150 0.000 1.038 312 E CA -2.347 54.006 56.400 -0.078 0.000 0.863 312 E CB 0.643 30.335 29.700 -0.013 0.000 1.060 312 E HN 0.372 nan 8.360 nan 0.000 0.402 313 P HA 0.127 nan 4.420 nan 0.000 0.268 313 P C -0.662 176.553 177.300 -0.142 0.000 1.205 313 P CA 0.220 63.186 63.100 -0.224 0.000 0.771 313 P CB 0.685 32.291 31.700 -0.156 0.000 0.858 314 T N -0.551 113.907 114.554 -0.160 0.000 2.864 314 T HA 0.735 5.085 4.350 -0.000 0.000 0.299 314 T C -0.133 174.606 174.700 0.066 0.000 1.166 314 T CA -1.003 61.086 62.100 -0.018 0.000 1.007 314 T CB 0.833 69.745 68.868 0.072 0.000 1.219 314 T HN 0.331 nan 8.240 nan 0.000 0.506 315 I N -0.341 120.289 120.570 0.099 0.000 2.428 315 I HA 0.738 4.908 4.170 -0.000 0.000 0.296 315 I C -0.245 176.002 176.117 0.218 0.000 0.985 315 I CA -1.476 59.920 61.300 0.160 0.000 1.260 315 I CB 1.346 39.403 38.000 0.095 0.000 1.389 315 I HN 0.393 nan 8.210 nan 0.000 0.484 316 V N 4.986 125.055 119.914 0.259 0.000 2.529 316 V HA 0.091 4.211 4.120 -0.000 0.000 0.292 316 V C 1.272 177.466 176.094 0.166 0.000 1.028 316 V CA 1.024 63.464 62.300 0.232 0.000 1.074 316 V CB 0.452 32.414 31.823 0.230 0.000 0.958 316 V HN 1.095 nan 8.190 nan 0.000 0.481 317 T N 1.068 115.718 114.554 0.160 0.000 3.051 317 T HA 0.165 4.515 4.350 -0.000 0.000 0.254 317 T C 0.146 174.926 174.700 0.134 0.000 0.916 317 T CA -0.051 62.135 62.100 0.143 0.000 0.894 317 T CB 0.286 69.250 68.868 0.160 0.000 1.251 317 T HN 0.230 nan 8.240 nan 0.000 0.517 318 V N 3.433 123.440 119.914 0.156 0.000 2.406 318 V HA 0.530 4.650 4.120 -0.000 0.000 0.272 318 V C -0.414 175.792 176.094 0.187 0.000 1.043 318 V CA -0.651 61.752 62.300 0.171 0.000 0.915 318 V CB 1.019 32.966 31.823 0.207 0.000 0.988 318 V HN 0.419 nan 8.190 nan 0.000 0.466 319 L N 4.484 125.744 121.223 0.060 0.000 2.346 319 L HA 0.728 5.067 4.340 -0.000 0.000 0.276 319 L C 0.583 177.237 176.870 -0.360 0.000 1.006 319 L CA -0.526 54.290 54.840 -0.041 0.000 0.817 319 L CB 1.946 43.993 42.059 -0.021 0.000 1.272 319 L HN 0.704 nan 8.230 nan 0.000 0.421 320 G N 4.477 112.815 108.800 -0.769 0.000 2.603 320 G HA2 0.533 4.493 3.960 -0.000 0.000 0.324 320 G HA3 0.533 4.493 3.960 -0.000 0.000 0.324 320 G C -0.433 174.205 174.900 -0.437 0.000 1.178 320 G CA -0.286 44.107 45.100 -1.179 0.000 1.023 320 G HN 0.265 nan 8.290 nan 0.000 0.482 321 I N 1.984 122.377 120.570 -0.296 0.000 2.315 321 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 321 I C 0.357 176.339 176.117 -0.224 0.000 1.006 321 I CA -0.316 60.867 61.300 -0.195 0.000 1.265 321 I CB 0.981 38.766 38.000 -0.357 0.000 1.387 321 I HN 0.190 nan 8.210 nan 0.000 0.475 322 S N 4.545 120.071 115.700 -0.290 0.000 2.689 322 S HA 0.399 4.869 4.470 -0.000 0.000 0.306 322 S C 1.110 175.469 174.600 -0.402 0.000 1.104 322 S CA -0.680 57.206 58.200 -0.524 0.000 0.973 322 S CB 1.699 64.153 63.200 -1.243 0.000 1.121 322 S HN 0.573 nan 8.310 nan 0.000 0.523 323 N N 0.716 119.185 118.700 -0.385 0.000 2.188 323 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 323 N C 0.258 175.565 175.510 -0.338 0.000 1.018 323 N CA 0.950 53.849 53.050 -0.251 0.000 0.858 323 N CB 0.078 38.437 38.487 -0.214 0.000 0.989 323 N HN 0.487 nan 8.380 nan 0.000 0.426 324 D N -0.673 119.379 120.400 -0.580 0.000 2.379 324 D HA 0.089 4.729 4.640 -0.000 0.000 0.208 324 D C -0.377 175.630 176.300 -0.488 0.000 1.065 324 D CA 0.328 53.935 54.000 -0.656 0.000 0.848 324 D CB 0.486 40.733 40.800 -0.922 0.000 0.949 324 D HN 0.240 nan 8.370 nan 0.000 0.509 325 F N -0.875 118.775 119.950 -0.500 0.000 2.678 325 F HA 0.522 5.049 4.527 -0.000 0.000 0.308 325 F C -1.725 173.812 175.800 -0.439 0.000 1.118 325 F CA -1.738 55.920 58.000 -0.570 0.000 0.959 325 F CB 0.535 39.399 39.000 -0.226 0.000 1.305 325 F HN -0.307 nan 8.300 nan 0.000 0.443 326 Y N 0.895 121.277 120.300 0.137 0.000 2.409 326 Y HA 0.687 5.236 4.550 -0.000 0.000 0.343 326 Y C -0.450 175.541 175.900 0.152 0.000 0.973 326 Y CA -1.038 57.092 58.100 0.049 0.000 1.064 326 Y CB 2.164 40.601 38.460 -0.038 0.000 1.207 326 Y HN 0.598 nan 8.280 nan 0.000 0.452 327 Q N 2.688 122.689 119.800 0.335 0.000 2.451 327 Q HA 0.815 5.155 4.340 -0.000 0.000 0.281 327 Q C -1.056 175.253 176.000 0.514 0.000 1.099 327 Q CA -0.999 55.073 55.803 0.448 0.000 0.806 327 Q CB 3.048 32.145 28.738 0.598 0.000 1.419 327 Q HN 0.919 nan 8.270 nan 0.000 0.427 328 C N -1.846 117.826 119.300 0.621 0.000 3.284 328 C HA 0.874 5.334 4.460 -0.000 0.000 0.348 328 C C -1.087 174.146 174.990 0.405 0.000 1.448 328 C CA -0.822 58.540 59.018 0.572 0.000 1.223 328 C CB 1.498 29.519 27.740 0.468 0.000 1.588 328 C HN 0.783 nan 8.230 nan 0.000 0.451 329 S N 0.113 115.970 115.700 0.262 0.000 2.614 329 S HA 0.732 5.202 4.470 -0.000 0.000 0.288 329 S C -1.541 173.211 174.600 0.254 0.000 1.137 329 S CA -0.193 58.030 58.200 0.039 0.000 0.992 329 S CB 1.022 63.982 63.200 -0.399 0.000 1.026 329 S HN 1.282 nan 8.310 nan 0.000 0.486 330 F N 5.053 125.052 119.950 0.081 0.000 2.444 330 F HA 0.692 5.219 4.527 -0.000 0.000 0.342 330 F C -0.049 175.647 175.800 -0.173 0.000 1.121 330 F CA -0.640 57.401 58.000 0.068 0.000 0.997 330 F CB 1.585 40.699 39.000 0.190 0.000 1.130 330 F HN 0.527 nan 8.300 nan 0.000 0.454 331 S N 4.125 119.348 115.700 -0.795 0.000 2.509 331 S HA 0.815 5.285 4.470 -0.000 0.000 0.297 331 S C -0.531 173.304 174.600 -1.274 0.000 1.118 331 S CA -0.523 57.033 58.200 -1.073 0.000 1.074 331 S CB 1.638 64.270 63.200 -0.947 0.000 1.038 331 S HN 0.862 nan 8.310 nan 0.000 0.498 332 S N 2.056 117.055 115.700 -1.169 0.000 2.625 332 S HA 0.593 5.062 4.470 -0.000 0.000 0.271 332 S C -0.881 173.501 174.600 -0.363 0.000 1.161 332 S CA -0.966 56.771 58.200 -0.772 0.000 0.820 332 S CB 0.669 63.419 63.200 -0.750 0.000 1.137 332 S HN 0.776 nan 8.310 nan 0.000 0.470 333 L N 3.069 124.223 121.223 -0.114 0.000 2.466 333 L HA 0.428 4.768 4.340 -0.000 0.000 0.257 333 L C -1.723 175.205 176.870 0.097 0.000 1.189 333 L CA -1.930 52.911 54.840 0.001 0.000 0.813 333 L CB 0.320 42.404 42.059 0.042 0.000 1.118 333 L HN 0.574 nan 8.230 nan 0.000 0.471 334 P HA -0.043 nan 4.420 nan 0.000 0.270 334 P C -1.061 176.357 177.300 0.197 0.000 1.223 334 P CA 0.271 63.391 63.100 0.034 0.000 0.785 334 P CB 0.294 32.009 31.700 0.025 0.000 0.923 335 F N 0.504 120.470 119.950 0.027 0.000 2.391 335 F HA 0.093 4.619 4.527 -0.000 0.000 0.359 335 F C 2.134 177.942 175.800 0.013 0.000 1.122 335 F CA -0.584 57.420 58.000 0.007 0.000 1.120 335 F CB 1.169 40.161 39.000 -0.013 0.000 1.142 335 F HN 0.331 nan 8.300 nan 0.000 0.483 336 T N -1.539 113.131 114.554 0.194 0.000 2.812 336 T HA -0.050 4.300 4.350 -0.000 0.000 0.264 336 T C 0.819 175.572 174.700 0.088 0.000 1.042 336 T CA 1.150 63.316 62.100 0.111 0.000 1.140 336 T CB -0.202 68.713 68.868 0.077 0.000 0.870 336 T HN 0.589 nan 8.240 nan 0.000 0.445 337 T N -0.950 113.638 114.554 0.057 0.000 2.901 337 T HA 0.638 4.988 4.350 -0.000 0.000 0.293 337 T C -3.429 171.269 174.700 -0.003 0.000 1.084 337 T CA -2.377 59.739 62.100 0.027 0.000 1.008 337 T CB 1.854 70.710 68.868 -0.020 0.000 1.170 337 T HN -0.133 nan 8.240 nan 0.000 0.509 338 P HA 0.351 nan 4.420 nan 0.000 0.271 338 P C -2.639 174.580 177.300 -0.136 0.000 1.226 338 P CA -1.214 61.893 63.100 0.013 0.000 0.765 338 P CB -0.295 31.479 31.700 0.123 0.000 0.835 339 P HA 0.189 nan 4.420 nan 0.000 0.286 339 P C -0.495 176.694 177.300 -0.185 0.000 1.321 339 P CA -0.371 62.474 63.100 -0.424 0.000 0.790 339 P CB 0.003 31.197 31.700 -0.844 0.000 0.897 340 F N 3.418 123.241 119.950 -0.213 0.000 2.608 340 F HA 0.245 4.772 4.527 -0.000 0.000 0.380 340 F C 1.684 177.421 175.800 -0.104 0.000 1.083 340 F CA 2.242 60.169 58.000 -0.122 0.000 1.266 340 F CB -0.006 38.924 39.000 -0.118 0.000 1.076 340 F HN 0.692 nan 8.300 nan 0.000 0.574 341 G N 4.682 113.170 108.800 -0.521 0.000 2.241 341 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.244 341 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.244 341 G C 0.912 175.887 174.900 0.124 0.000 0.998 341 G CA 0.388 45.390 45.100 -0.164 0.000 0.621 341 G HN 0.681 nan 8.290 nan 0.000 0.519 342 F N 0.899 120.752 119.950 -0.162 0.000 2.084 342 F HA 0.416 4.943 4.527 -0.000 0.000 0.296 342 F C 1.206 176.685 175.800 -0.536 0.000 1.111 342 F CA 1.283 59.122 58.000 -0.269 0.000 1.224 342 F CB -0.040 38.589 39.000 -0.618 0.000 0.991 342 F HN 0.142 nan 8.300 nan 0.000 0.471 343 F N 0.698 120.582 119.950 -0.109 0.000 2.425 343 F HA 0.291 4.818 4.527 -0.000 0.000 0.331 343 F C -1.091 174.575 175.800 -0.224 0.000 1.085 343 F CA -2.261 55.529 58.000 -0.351 0.000 1.028 343 F CB 0.759 39.411 39.000 -0.579 0.000 1.177 343 F HN -0.233 nan 8.300 nan 0.000 0.487 344 P HA -0.080 nan 4.420 nan 0.000 0.222 344 P C -0.296 176.992 177.300 -0.020 0.000 1.147 344 P CA 1.016 64.109 63.100 -0.011 0.000 0.790 344 P CB 0.393 32.107 31.700 0.023 0.000 0.780 345 S N -1.139 114.598 115.700 0.061 0.000 2.627 345 S HA 0.292 4.762 4.470 -0.000 0.000 0.283 345 S C 0.860 175.527 174.600 0.112 0.000 1.127 345 S CA -0.310 57.932 58.200 0.070 0.000 0.863 345 S CB 1.726 64.994 63.200 0.114 0.000 1.121 345 S HN 0.056 nan 8.310 nan 0.000 0.479 346 S N -0.036 115.730 115.700 0.110 0.000 2.562 346 S HA -0.006 4.464 4.470 -0.000 0.000 0.221 346 S C 1.438 176.133 174.600 0.159 0.000 0.975 346 S CA 0.771 59.061 58.200 0.149 0.000 0.918 346 S CB -0.114 63.188 63.200 0.170 0.000 0.772 346 S HN 0.566 nan 8.310 nan 0.000 0.531 347 S N 0.039 115.825 115.700 0.145 0.000 2.593 347 S HA 0.197 4.667 4.470 -0.000 0.000 0.217 347 S C 0.133 174.797 174.600 0.106 0.000 0.966 347 S CA -0.720 57.544 58.200 0.106 0.000 0.914 347 S CB -0.558 62.684 63.200 0.069 0.000 0.776 347 S HN 0.613 nan 8.310 nan 0.000 0.523 348 Y N 4.138 124.457 120.300 0.032 0.000 2.511 348 Y HA 0.281 4.831 4.550 -0.000 0.000 0.332 348 Y C -1.879 173.984 175.900 -0.062 0.000 1.177 348 Y CA -1.902 56.172 58.100 -0.042 0.000 1.422 348 Y CB 0.508 38.934 38.460 -0.056 0.000 1.271 348 Y HN 0.241 nan 8.280 nan 0.000 0.550 349 P HA 0.099 nan 4.420 nan 0.000 0.271 349 P C -1.095 176.190 177.300 -0.025 0.000 1.220 349 P CA 0.148 63.147 63.100 -0.169 0.000 0.768 349 P CB 0.827 32.352 31.700 -0.291 0.000 0.848 350 L N 5.749 127.011 121.223 0.065 0.000 2.350 350 L HA 0.370 4.710 4.340 -0.000 0.000 0.275 350 L C -1.664 175.181 176.870 -0.043 0.000 1.099 350 L CA -2.196 52.721 54.840 0.128 0.000 0.808 350 L CB 0.754 42.933 42.059 0.200 0.000 1.149 350 L HN 0.264 nan 8.230 nan 0.000 0.442 351 P HA 0.096 nan 4.420 nan 0.000 0.276 351 P C -0.843 176.353 177.300 -0.174 0.000 1.243 351 P CA -0.388 62.503 63.100 -0.348 0.000 0.768 351 P CB 0.683 31.815 31.700 -0.946 0.000 0.856 352 N N 0.591 119.239 118.700 -0.086 0.000 2.235 352 N HA 0.053 4.793 4.740 -0.000 0.000 0.209 352 N C -0.084 175.420 175.510 -0.010 0.000 1.122 352 N CA -0.397 52.638 53.050 -0.027 0.000 0.845 352 N CB 0.127 38.609 38.487 -0.008 0.000 1.004 352 N HN 0.337 nan 8.380 nan 0.000 0.499 353 S N -1.778 113.912 115.700 -0.015 0.000 2.671 353 S HA 0.542 5.012 4.470 -0.000 0.000 0.277 353 S C -0.348 174.276 174.600 0.041 0.000 1.165 353 S CA -0.712 57.496 58.200 0.014 0.000 0.822 353 S CB 0.516 63.728 63.200 0.020 0.000 1.150 353 S HN 0.258 nan 8.310 nan 0.000 0.479 354 T N 0.113 114.682 114.554 0.026 0.000 2.940 354 T HA 0.494 4.844 4.350 -0.000 0.000 0.309 354 T C -0.212 174.521 174.700 0.055 0.000 1.056 354 T CA -0.285 61.813 62.100 -0.003 0.000 1.137 354 T CB -0.716 68.094 68.868 -0.097 0.000 0.976 354 T HN 1.240 nan 8.240 nan 0.000 0.547 355 F N -0.612 119.171 119.950 -0.278 0.000 2.685 355 F HA 0.822 5.349 4.527 -0.000 0.000 0.315 355 F C -1.037 174.543 175.800 -0.368 0.000 1.126 355 F CA -1.725 56.127 58.000 -0.246 0.000 0.950 355 F CB 1.060 39.977 39.000 -0.138 0.000 1.360 355 F HN 0.828 nan 8.300 nan 0.000 0.469 356 A N 1.127 123.738 122.820 -0.348 0.000 2.343 356 A HA 0.593 4.913 4.320 -0.000 0.000 0.316 356 A C -2.047 175.548 177.584 0.019 0.000 1.104 356 A CA -0.637 51.099 52.037 -0.502 0.000 0.768 356 A CB 0.561 19.232 19.000 -0.549 0.000 1.213 356 A HN 0.996 nan 8.150 nan 0.000 0.456 357 H N 1.831 120.835 119.070 -0.109 0.000 2.673 357 H HA 0.579 5.135 4.556 -0.000 0.000 0.293 357 H C -1.682 173.741 175.328 0.158 0.000 1.065 357 H CA -0.632 55.574 56.048 0.263 0.000 1.236 357 H CB 0.018 30.057 29.762 0.462 0.000 1.389 357 H HN 0.437 nan 8.280 nan 0.000 0.481 358 F N 3.945 123.960 119.950 0.108 0.000 2.421 358 F HA 0.496 5.023 4.527 -0.000 0.000 0.358 358 F C 0.551 176.360 175.800 0.015 0.000 1.115 358 F CA -0.214 57.848 58.000 0.103 0.000 1.160 358 F CB 0.866 39.912 39.000 0.077 0.000 1.123 358 F HN 0.608 nan 8.300 nan 0.000 0.508 359 A N 2.518 125.472 122.820 0.223 0.000 2.355 359 A HA 0.745 5.065 4.320 -0.000 0.000 0.324 359 A C -0.582 177.232 177.584 0.383 0.000 1.117 359 A CA -0.635 51.546 52.037 0.240 0.000 0.785 359 A CB 1.565 20.679 19.000 0.190 0.000 1.254 359 A HN 0.534 nan 8.150 nan 0.000 0.453 360 S N 0.637 116.548 115.700 0.351 0.000 2.594 360 S HA 0.511 4.981 4.470 -0.000 0.000 0.296 360 S C -0.808 173.919 174.600 0.211 0.000 1.124 360 S CA -0.619 57.742 58.200 0.270 0.000 1.011 360 S CB 0.677 63.966 63.200 0.148 0.000 1.016 360 S HN 0.710 nan 8.310 nan 0.000 0.485 361 K N 4.632 125.045 120.400 0.022 0.000 2.265 361 K HA 0.537 4.857 4.320 -0.000 0.000 0.267 361 K C -0.915 175.574 176.600 -0.184 0.000 0.994 361 K CA -0.622 55.532 56.287 -0.222 0.000 0.860 361 K CB 1.157 33.154 32.500 -0.838 0.000 1.099 361 K HN 0.479 nan 8.250 nan 0.000 0.448 362 V N 3.698 123.575 119.914 -0.060 0.000 2.637 362 V HA 0.155 4.275 4.120 -0.000 0.000 0.296 362 V C 0.638 176.639 176.094 -0.155 0.000 1.046 362 V CA -0.325 61.959 62.300 -0.028 0.000 1.066 362 V CB 0.944 32.859 31.823 0.153 0.000 0.968 362 V HN 0.978 nan 8.190 nan 0.000 0.483 363 A N 4.080 126.722 122.820 -0.296 0.000 2.406 363 A HA 0.638 4.958 4.320 -0.000 0.000 0.243 363 A C 1.262 178.851 177.584 0.008 0.000 1.082 363 A CA 0.686 52.577 52.037 -0.243 0.000 0.786 363 A CB -0.196 18.629 19.000 -0.293 0.000 1.029 363 A HN 2.009 nan 8.150 nan 0.000 0.495 364 G N 0.739 109.573 108.800 0.057 0.000 3.076 364 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.256 364 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.256 364 G C -2.647 172.508 174.900 0.424 0.000 1.589 364 G CA 0.045 45.227 45.100 0.137 0.000 1.044 364 G HN 1.027 nan 8.290 nan 0.000 0.563 365 P HA 0.555 nan 4.420 nan 0.000 0.283 365 P C 0.923 178.538 177.300 0.526 0.000 1.271 365 P CA -0.617 62.697 63.100 0.357 0.000 0.841 365 P CB 1.421 33.281 31.700 0.266 0.000 1.122 366 L N -0.454 120.982 121.223 0.356 0.000 2.240 366 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 366 L C 1.326 178.450 176.870 0.424 0.000 1.106 366 L CA 0.971 56.062 54.840 0.418 0.000 0.793 366 L CB -0.500 41.691 42.059 0.220 0.000 0.927 366 L HN 0.346 nan 8.230 nan 0.000 0.446 367 S N -0.484 115.364 115.700 0.247 0.000 2.576 367 S HA 0.337 4.807 4.470 -0.000 0.000 0.276 367 S C -0.679 173.928 174.600 0.011 0.000 1.339 367 S CA -0.273 57.964 58.200 0.060 0.000 1.039 367 S CB 0.586 63.779 63.200 -0.011 0.000 0.902 367 S HN 0.248 nan 8.310 nan 0.000 0.516 368 Y N -1.534 118.657 120.300 -0.182 0.000 2.656 368 Y HA 0.816 5.366 4.550 -0.000 0.000 0.334 368 Y C -0.088 175.697 175.900 -0.193 0.000 1.179 368 Y CA -1.064 56.821 58.100 -0.358 0.000 1.050 368 Y CB 0.659 38.667 38.460 -0.754 0.000 1.308 368 Y HN 0.729 nan 8.280 nan 0.000 0.456 369 G N 0.362 109.179 108.800 0.029 0.000 3.195 369 G HA2 0.700 4.660 3.960 -0.000 0.000 0.217 369 G HA3 0.700 4.660 3.960 -0.000 0.000 0.217 369 G C -1.235 173.641 174.900 -0.039 0.000 1.166 369 G CA -0.559 44.497 45.100 -0.073 0.000 0.812 369 G HN 1.382 nan 8.290 nan 0.000 0.617 370 S N -1.777 113.832 115.700 -0.152 0.000 2.638 370 S HA 0.747 5.217 4.470 -0.000 0.000 0.274 370 S C -1.393 173.080 174.600 -0.212 0.000 1.157 370 S CA -0.683 57.418 58.200 -0.165 0.000 0.826 370 S CB 1.695 64.788 63.200 -0.179 0.000 1.139 370 S HN 1.124 nan 8.310 nan 0.000 0.474 371 L N 1.671 122.779 121.223 -0.191 0.000 2.346 371 L HA 0.860 5.200 4.340 -0.000 0.000 0.276 371 L C -0.705 176.044 176.870 -0.201 0.000 1.006 371 L CA -0.074 54.652 54.840 -0.190 0.000 0.817 371 L CB 2.017 43.988 42.059 -0.147 0.000 1.272 371 L HN 1.169 nan 8.230 nan 0.000 0.421 372 T N 1.677 116.133 114.554 -0.162 0.000 2.896 372 T HA 0.533 4.883 4.350 -0.000 0.000 0.297 372 T C -0.420 174.280 174.700 0.000 0.000 1.108 372 T CA -0.920 61.103 62.100 -0.128 0.000 1.004 372 T CB 1.298 70.103 68.868 -0.105 0.000 1.159 372 T HN 0.494 nan 8.240 nan 0.000 0.499 373 L N 1.756 123.064 121.223 0.141 0.000 2.417 373 L HA 0.477 4.816 4.340 -0.000 0.000 0.268 373 L C 1.441 178.353 176.870 0.070 0.000 1.158 373 L CA -0.736 54.165 54.840 0.101 0.000 0.819 373 L CB 0.812 42.952 42.059 0.134 0.000 1.112 373 L HN 0.756 nan 8.230 nan 0.000 0.458 374 K N 0.758 121.175 120.400 0.029 0.000 2.308 374 K HA 0.092 4.412 4.320 -0.000 0.000 0.197 374 K C 0.388 176.997 176.600 0.015 0.000 1.049 374 K CA 0.304 56.603 56.287 0.019 0.000 0.991 374 K CB 0.498 33.003 32.500 0.008 0.000 0.836 374 K HN 0.471 nan 8.250 nan 0.000 0.500 375 S N -0.368 115.341 115.700 0.014 0.000 2.532 375 S HA 0.295 4.765 4.470 -0.000 0.000 0.299 375 S C 0.287 174.891 174.600 0.006 0.000 1.105 375 S CA -0.411 57.793 58.200 0.007 0.000 1.018 375 S CB 1.358 64.561 63.200 0.006 0.000 1.021 375 S HN 0.258 nan 8.310 nan 0.000 0.483 376 S N 2.801 118.496 115.700 -0.008 0.000 2.603 376 S HA 0.065 4.535 4.470 -0.000 0.000 0.220 376 S C 1.113 175.709 174.600 -0.007 0.000 0.967 376 S CA 0.647 58.835 58.200 -0.019 0.000 0.920 376 S CB -0.252 62.918 63.200 -0.050 0.000 0.773 376 S HN 0.935 nan 8.310 nan 0.000 0.529 377 S N -0.357 115.343 115.700 0.000 0.000 2.612 377 S HA 0.276 4.746 4.470 -0.000 0.000 0.278 377 S C 0.002 174.608 174.600 0.010 0.000 1.082 377 S CA -0.453 57.750 58.200 0.005 0.000 1.185 377 S CB -0.426 62.775 63.200 0.001 0.000 1.077 377 S HN 0.313 nan 8.310 nan 0.000 0.585 378 N N 2.131 120.837 118.700 0.009 0.000 2.485 378 N HA 0.312 5.052 4.740 -0.000 0.000 0.243 378 N C 0.603 176.121 175.510 0.012 0.000 0.987 378 N CA -0.108 52.949 53.050 0.012 0.000 0.940 378 N CB 1.598 40.090 38.487 0.009 0.000 1.122 378 N HN 0.110 nan 8.380 nan 0.000 0.509 379 V N 5.028 124.951 119.914 0.016 0.000 2.913 379 V HA -0.046 4.073 4.120 -0.000 0.000 0.260 379 V C 1.823 177.923 176.094 0.011 0.000 1.098 379 V CA 1.534 63.842 62.300 0.015 0.000 1.121 379 V CB -0.285 31.550 31.823 0.020 0.000 0.714 379 V HN 0.587 nan 8.190 nan 0.000 0.487 380 R N -0.780 119.729 120.500 0.014 0.000 2.299 380 R HA 0.115 4.455 4.340 -0.000 0.000 0.197 380 R C 0.426 176.730 176.300 0.006 0.000 0.971 380 R CA 0.104 56.212 56.100 0.013 0.000 1.030 380 R CB 0.173 30.484 30.300 0.018 0.000 0.932 380 R HN 0.373 nan 8.270 nan 0.000 0.477 381 V N 1.920 121.836 119.914 0.003 0.000 2.406 381 V HA 0.065 4.185 4.120 -0.000 0.000 0.272 381 V C 0.313 176.400 176.094 -0.011 0.000 1.043 381 V CA -0.238 62.062 62.300 0.000 0.000 0.915 381 V CB 1.540 33.365 31.823 0.003 0.000 0.988 381 V HN 0.143 nan 8.190 nan 0.000 0.466 382 S N 7.690 123.380 115.700 -0.015 0.000 2.552 382 S HA 0.158 4.628 4.470 -0.000 0.000 0.289 382 S C -2.059 172.506 174.600 -0.058 0.000 1.304 382 S CA -0.401 57.771 58.200 -0.047 0.000 1.063 382 S CB 0.426 63.607 63.200 -0.031 0.000 0.848 382 S HN 0.605 nan 8.310 nan 0.000 0.499 383 P HA 0.135 nan 4.420 nan 0.000 0.274 383 P C -0.293 176.943 177.300 -0.107 0.000 1.246 383 P CA -0.667 62.380 63.100 -0.089 0.000 0.795 383 P CB 0.468 32.101 31.700 -0.112 0.000 1.006 384 N N 0.852 119.502 118.700 -0.083 0.000 2.472 384 N HA 0.232 4.972 4.740 -0.000 0.000 0.277 384 N C -1.544 173.871 175.510 -0.159 0.000 1.081 384 N CA -0.018 52.982 53.050 -0.084 0.000 0.973 384 N CB 0.487 38.945 38.487 -0.049 0.000 1.105 384 N HN 0.009 nan 8.380 nan 0.000 0.470 385 V N 2.688 122.482 119.914 -0.201 0.000 2.841 385 V HA 0.446 4.566 4.120 -0.000 0.000 0.310 385 V C -0.405 175.412 176.094 -0.462 0.000 1.090 385 V CA -0.906 61.170 62.300 -0.374 0.000 0.930 385 V CB 2.061 33.578 31.823 -0.511 0.000 1.014 385 V HN 0.675 nan 8.190 nan 0.000 0.425 386 K N 2.099 122.165 120.400 -0.556 0.000 2.427 386 K HA 0.599 4.919 4.320 -0.000 0.000 0.252 386 K C -0.726 175.511 176.600 -0.604 0.000 0.931 386 K CA -0.542 55.466 56.287 -0.466 0.000 0.793 386 K CB 1.711 34.073 32.500 -0.229 0.000 1.211 386 K HN 0.528 nan 8.250 nan 0.000 0.426 387 F N 1.146 120.956 119.950 -0.233 0.000 2.720 387 F HA 0.171 4.698 4.527 -0.000 0.000 0.301 387 F C 0.339 175.866 175.800 -0.455 0.000 1.103 387 F CA -0.666 57.089 58.000 -0.409 0.000 1.291 387 F CB 0.504 39.074 39.000 -0.716 0.000 1.086 387 F HN 0.578 nan 8.300 nan 0.000 0.592 388 N N 0.834 119.416 118.700 -0.196 0.000 2.714 388 N HA -0.253 4.487 4.740 -0.000 0.000 0.253 388 N C -0.966 174.478 175.510 -0.111 0.000 1.024 388 N CA 0.481 53.456 53.050 -0.125 0.000 0.726 388 N CB -1.955 36.437 38.487 -0.158 0.000 0.908 388 N HN 0.340 nan 8.380 nan 0.000 0.542 389 Y N -0.255 120.042 120.300 -0.006 0.000 2.810 389 Y HA -0.123 4.427 4.550 -0.000 0.000 0.332 389 Y C 1.447 177.276 175.900 -0.118 0.000 1.243 389 Y CA 0.732 58.722 58.100 -0.183 0.000 1.537 389 Y CB -0.042 38.272 38.460 -0.243 0.000 1.265 389 Y HN 0.272 nan 8.280 nan 0.000 0.572 390 Y N -0.569 119.842 120.300 0.185 0.000 4.604 390 Y HA -0.398 4.152 4.550 -0.000 0.000 0.230 390 Y C 1.905 177.836 175.900 0.051 0.000 1.066 390 Y CA 0.376 58.538 58.100 0.102 0.000 1.990 390 Y CB -1.753 36.764 38.460 0.095 0.000 1.619 390 Y HN 0.725 nan 8.280 nan 0.000 0.649 391 S N -0.605 115.163 115.700 0.114 0.000 2.402 391 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 391 S C 0.699 175.324 174.600 0.042 0.000 1.021 391 S CA 0.911 59.137 58.200 0.044 0.000 0.974 391 S CB 0.018 63.188 63.200 -0.050 0.000 0.800 391 S HN 0.512 nan 8.310 nan 0.000 0.484 392 N N 1.268 120.005 118.700 0.061 0.000 2.426 392 N HA 0.266 5.006 4.740 -0.000 0.000 0.257 392 N C 0.610 176.169 175.510 0.082 0.000 1.002 392 N CA -0.221 52.866 53.050 0.061 0.000 0.942 392 N CB 1.040 39.573 38.487 0.077 0.000 1.112 392 N HN 0.274 nan 8.380 nan 0.000 0.499 393 L N 2.345 123.597 121.223 0.048 0.000 2.265 393 L HA -0.137 4.203 4.340 -0.000 0.000 0.215 393 L C 1.912 178.767 176.870 -0.024 0.000 1.117 393 L CA 0.933 55.790 54.840 0.027 0.000 0.782 393 L CB -0.320 41.743 42.059 0.008 0.000 0.914 393 L HN 0.523 nan 8.230 nan 0.000 0.441 394 T N -1.132 113.386 114.554 -0.060 0.000 2.867 394 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 394 T C 1.401 175.895 174.700 -0.344 0.000 1.057 394 T CA 1.198 63.165 62.100 -0.221 0.000 1.136 394 T CB -0.153 68.602 68.868 -0.188 0.000 0.874 394 T HN 0.316 nan 8.240 nan 0.000 0.466 395 D N 0.964 121.329 120.400 -0.059 0.000 2.117 395 D HA -0.034 4.606 4.640 -0.000 0.000 0.197 395 D C 1.993 178.435 176.300 0.237 0.000 0.987 395 D CA 0.561 54.634 54.000 0.123 0.000 0.829 395 D CB -0.394 40.556 40.800 0.249 0.000 0.961 395 D HN 0.194 nan 8.370 nan 0.000 0.460 396 L N 1.067 122.398 121.223 0.180 0.000 2.046 396 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 396 L C 2.314 179.150 176.870 -0.057 0.000 1.077 396 L CA 1.741 56.542 54.840 -0.066 0.000 0.747 396 L CB -0.805 41.169 42.059 -0.140 0.000 0.896 396 L HN 0.037 nan 8.230 nan 0.000 0.432 397 S N -1.940 113.725 115.700 -0.060 0.000 2.382 397 S HA -0.267 4.203 4.470 -0.000 0.000 0.228 397 S C 1.960 176.612 174.600 0.086 0.000 1.027 397 S CA 1.500 59.681 58.200 -0.031 0.000 0.991 397 S CB -1.173 61.984 63.200 -0.071 0.000 0.823 397 S HN 0.699 nan 8.310 nan 0.000 0.469 398 H N -0.378 118.736 119.070 0.072 0.000 2.423 398 H HA -0.009 4.547 4.556 -0.000 0.000 0.297 398 H C 2.687 178.053 175.328 0.063 0.000 1.075 398 H CA 0.966 57.083 56.048 0.116 0.000 1.342 398 H CB -0.267 29.575 29.762 0.133 0.000 1.395 398 H HN 0.590 nan 8.280 nan 0.000 0.530 399 c N 0.536 119.245 118.600 0.182 0.000 2.446 399 c HA -0.106 4.464 4.570 -0.000 0.000 0.277 399 c C 2.740 176.830 174.090 0.001 0.000 1.275 399 c CA 0.660 57.049 56.329 0.099 0.000 1.727 399 c CB -1.064 41.505 42.510 0.098 0.000 2.010 399 c HN 0.329 nan 8.230 nan 0.000 0.486 400 V N 1.099 121.011 119.914 -0.003 0.000 2.295 400 V HA -0.182 3.937 4.120 -0.000 0.000 0.246 400 V C 2.748 178.738 176.094 -0.174 0.000 1.049 400 V CA 2.606 64.890 62.300 -0.026 0.000 1.024 400 V CB -0.950 30.849 31.823 -0.040 0.000 0.648 400 V HN 0.641 nan 8.190 nan 0.000 0.447 401 S N 0.484 116.099 115.700 -0.142 0.000 2.368 401 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 401 S C 2.062 176.321 174.600 -0.569 0.000 1.030 401 S CA 1.399 59.489 58.200 -0.185 0.000 0.999 401 S CB -0.740 62.522 63.200 0.103 0.000 0.844 401 S HN 0.706 nan 8.310 nan 0.000 0.459 402 G N 1.655 109.886 108.800 -0.949 0.000 2.418 402 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 402 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 402 G C 1.289 175.831 174.900 -0.596 0.000 1.158 402 G CA 0.853 45.024 45.100 -1.548 0.000 0.771 402 G HN 0.318 nan 8.290 nan 0.000 0.545 403 M N 0.425 119.875 119.600 -0.250 0.000 2.319 403 M HA 0.120 4.600 4.480 -0.000 0.000 0.265 403 M C 2.244 178.531 176.300 -0.023 0.000 1.068 403 M CA 0.744 56.019 55.300 -0.041 0.000 1.118 403 M CB -0.695 31.986 32.600 0.135 0.000 1.395 403 M HN 0.207 nan 8.290 nan 0.000 0.435 404 K N -0.076 120.195 120.400 -0.215 0.000 2.148 404 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 404 K C 2.042 178.549 176.600 -0.156 0.000 1.050 404 K CA 0.934 57.043 56.287 -0.296 0.000 0.942 404 K CB -0.011 32.208 32.500 -0.467 0.000 0.724 404 K HN -0.005 nan 8.250 nan 0.000 0.446 405 K N 1.398 121.700 120.400 -0.163 0.000 2.097 405 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 405 K C 1.741 178.329 176.600 -0.021 0.000 1.050 405 K CA 1.022 57.286 56.287 -0.038 0.000 0.938 405 K CB -0.101 32.438 32.500 0.066 0.000 0.718 405 K HN -0.033 nan 8.250 nan 0.000 0.442 406 I N 0.632 121.169 120.570 -0.056 0.000 2.286 406 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 406 I C 2.223 178.251 176.117 -0.148 0.000 1.115 406 I CA 1.674 62.924 61.300 -0.084 0.000 1.392 406 I CB -1.668 36.297 38.000 -0.058 0.000 1.065 406 I HN 0.362 nan 8.210 nan 0.000 0.418 407 G N 0.464 109.210 108.800 -0.090 0.000 2.442 407 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 407 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 407 G C 1.581 176.442 174.900 -0.064 0.000 1.141 407 G CA 0.437 45.497 45.100 -0.066 0.000 0.763 407 G HN 0.441 nan 8.290 nan 0.000 0.554 408 E N 0.030 120.196 120.200 -0.057 0.000 2.072 408 E HA -0.042 4.307 4.350 -0.000 0.000 0.191 408 E C 2.614 179.181 176.600 -0.055 0.000 0.985 408 E CA 0.515 56.893 56.400 -0.037 0.000 0.801 408 E CB -0.200 29.490 29.700 -0.017 0.000 0.750 408 E HN 0.400 nan 8.360 nan 0.000 0.452 409 L N 0.741 121.899 121.223 -0.109 0.000 2.042 409 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 409 L C 2.473 179.223 176.870 -0.200 0.000 1.076 409 L CA 1.015 55.742 54.840 -0.189 0.000 0.749 409 L CB -0.463 41.391 42.059 -0.342 0.000 0.893 409 L HN 0.181 nan 8.230 nan 0.000 0.432 410 L N -0.953 120.121 121.223 -0.249 0.000 2.362 410 L HA -0.125 4.215 4.340 -0.000 0.000 0.219 410 L C 2.010 178.971 176.870 0.151 0.000 1.134 410 L CA 0.624 55.371 54.840 -0.155 0.000 0.807 410 L CB -0.314 41.574 42.059 -0.284 0.000 0.927 410 L HN 0.189 nan 8.230 nan 0.000 0.447 411 S N -1.538 114.199 115.700 0.060 0.000 2.556 411 S HA 0.028 4.498 4.470 -0.000 0.000 0.216 411 S C 0.921 175.557 174.600 0.059 0.000 0.970 411 S CA -0.025 58.221 58.200 0.077 0.000 0.912 411 S CB -0.093 63.130 63.200 0.039 0.000 0.790 411 S HN 0.531 nan 8.310 nan 0.000 0.504 412 T N 0.456 115.042 114.554 0.054 0.000 2.868 412 T HA 0.216 4.566 4.350 -0.000 0.000 0.292 412 T C 0.484 175.224 174.700 0.067 0.000 1.028 412 T CA -0.491 61.637 62.100 0.047 0.000 1.059 412 T CB 0.580 69.465 68.868 0.029 0.000 0.991 412 T HN -0.145 nan 8.240 nan 0.000 0.531 413 D N 1.107 121.538 120.400 0.051 0.000 2.144 413 D HA -0.033 4.607 4.640 -0.000 0.000 0.199 413 D C 2.356 178.700 176.300 0.073 0.000 0.984 413 D CA 1.524 55.553 54.000 0.048 0.000 0.834 413 D CB -0.797 40.023 40.800 0.035 0.000 0.955 413 D HN 0.756 nan 8.370 nan 0.000 0.465 414 A N 0.574 123.442 122.820 0.080 0.000 1.948 414 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 414 A C 2.165 179.881 177.584 0.220 0.000 1.177 414 A CA 1.063 53.164 52.037 0.107 0.000 0.636 414 A CB -0.584 18.447 19.000 0.052 0.000 0.815 414 A HN 0.271 nan 8.150 nan 0.000 0.449 415 L N -1.459 119.910 121.223 0.243 0.000 2.607 415 L HA 0.072 4.412 4.340 -0.000 0.000 0.228 415 L C 2.174 179.303 176.870 0.430 0.000 1.123 415 L CA 0.379 55.500 54.840 0.469 0.000 0.890 415 L CB -0.268 42.026 42.059 0.392 0.000 1.103 415 L HN 0.433 nan 8.230 nan 0.000 0.468 416 K N 1.630 122.142 120.400 0.187 0.000 2.074 416 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 416 K C -0.592 175.969 176.600 -0.065 0.000 1.048 416 K CA 1.577 57.878 56.287 0.023 0.000 0.926 416 K CB -0.598 31.899 32.500 -0.006 0.000 0.713 416 K HN 0.180 nan 8.250 nan 0.000 0.444 417 P HA -0.125 nan 4.420 nan 0.000 0.225 417 P C -0.017 176.992 177.300 -0.485 0.000 1.148 417 P CA 1.117 64.002 63.100 -0.357 0.000 0.779 417 P CB 0.013 31.408 31.700 -0.509 0.000 0.780 418 Y N -1.187 119.212 120.300 0.166 0.000 2.468 418 Y HA 0.177 4.727 4.550 -0.000 0.000 0.268 418 Y C 1.035 177.024 175.900 0.149 0.000 1.177 418 Y CA -0.206 58.046 58.100 0.252 0.000 1.265 418 Y CB -0.185 38.567 38.460 0.487 0.000 1.103 418 Y HN -0.183 nan 8.280 nan 0.000 0.522 419 K N 0.395 120.718 120.400 -0.129 0.000 2.126 419 K HA 0.213 4.533 4.320 -0.000 0.000 0.257 419 K C 1.109 177.614 176.600 -0.159 0.000 1.007 419 K CA 0.050 56.065 56.287 -0.453 0.000 0.928 419 K CB 1.822 33.902 32.500 -0.700 0.000 1.013 419 K HN 0.012 nan 8.250 nan 0.000 0.473 420 V N -1.949 117.899 119.914 -0.109 0.000 3.354 420 V HA 0.119 4.239 4.120 -0.000 0.000 0.258 420 V C 0.405 176.459 176.094 -0.067 0.000 1.159 420 V CA 0.562 62.837 62.300 -0.043 0.000 1.125 420 V CB -0.376 31.451 31.823 0.007 0.000 0.774 420 V HN 0.830 nan 8.190 nan 0.000 0.464 421 E N 0.345 120.479 120.200 -0.110 0.000 2.321 421 E HA 0.193 4.543 4.350 -0.000 0.000 0.278 421 E C -1.475 175.049 176.600 -0.127 0.000 0.902 421 E CA -0.629 55.716 56.400 -0.093 0.000 0.758 421 E CB 1.833 31.496 29.700 -0.062 0.000 1.213 421 E HN 0.206 nan 8.360 nan 0.000 0.426 422 D N 5.579 125.919 120.400 -0.099 0.000 2.498 422 D HA 0.148 4.788 4.640 -0.000 0.000 0.229 422 D C -0.652 175.602 176.300 -0.077 0.000 1.188 422 D CA 0.233 54.174 54.000 -0.098 0.000 1.028 422 D CB -0.201 40.556 40.800 -0.071 0.000 1.087 422 D HN 0.368 nan 8.370 nan 0.000 0.510 423 L N 3.564 124.733 121.223 -0.090 0.000 2.322 423 L HA 0.504 4.844 4.340 -0.000 0.000 0.269 423 L C -1.848 174.996 176.870 -0.043 0.000 1.012 423 L CA -1.968 52.839 54.840 -0.056 0.000 0.815 423 L CB 1.949 43.980 42.059 -0.047 0.000 1.295 423 L HN 0.157 nan 8.230 nan 0.000 0.438 424 P HA 0.135 nan 4.420 nan 0.000 0.272 424 P C 0.349 177.653 177.300 0.007 0.000 1.230 424 P CA 0.437 63.532 63.100 -0.008 0.000 0.788 424 P CB 0.929 32.625 31.700 -0.006 0.000 0.949 425 G N 1.134 109.944 108.800 0.017 0.000 2.611 425 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.301 425 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.301 425 G C 0.851 175.793 174.900 0.071 0.000 1.233 425 G CA 0.917 46.038 45.100 0.034 0.000 0.993 425 G HN 0.687 nan 8.290 nan 0.000 0.553 426 V N -1.041 118.923 119.914 0.083 0.000 3.649 426 V HA 0.444 4.563 4.120 -0.000 0.000 0.275 426 V C 0.869 177.094 176.094 0.219 0.000 1.281 426 V CA 1.565 63.956 62.300 0.153 0.000 1.143 426 V CB -0.397 31.462 31.823 0.060 0.000 0.892 426 V HN 0.581 nan 8.190 nan 0.000 0.441 427 E N 0.714 120.983 120.200 0.115 0.000 2.349 427 E HA 0.560 4.910 4.350 -0.000 0.000 0.262 427 E C 1.105 177.712 176.600 0.011 0.000 1.088 427 E CA 0.286 56.736 56.400 0.084 0.000 0.899 427 E CB 1.147 30.865 29.700 0.029 0.000 1.044 427 E HN 0.423 nan 8.360 nan 0.000 0.420 428 G N 1.309 110.104 108.800 -0.008 0.000 2.231 428 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.206 428 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.206 428 G C -0.204 174.585 174.900 -0.185 0.000 0.996 428 G CA -0.643 44.374 45.100 -0.137 0.000 0.645 428 G HN 0.371 nan 8.290 nan 0.000 0.498 429 F N 1.203 121.177 119.950 0.041 0.000 2.377 429 F HA 0.467 4.994 4.527 -0.000 0.000 0.328 429 F C 0.874 176.711 175.800 0.060 0.000 1.094 429 F CA -0.571 57.470 58.000 0.068 0.000 1.093 429 F CB 1.030 40.081 39.000 0.085 0.000 1.214 429 F HN 0.060 nan 8.300 nan 0.000 0.518 430 N N 2.867 121.736 118.700 0.281 0.000 2.521 430 N HA 0.210 4.950 4.740 -0.000 0.000 0.236 430 N C -1.145 174.480 175.510 0.192 0.000 1.067 430 N CA -0.414 52.740 53.050 0.174 0.000 0.939 430 N CB 0.225 38.792 38.487 0.132 0.000 1.201 430 N HN 0.297 nan 8.380 nan 0.000 0.511 431 I N 3.604 124.268 120.570 0.157 0.000 2.365 431 I HA 0.185 4.355 4.170 -0.000 0.000 0.291 431 I C 0.087 176.259 176.117 0.092 0.000 1.004 431 I CA -0.711 60.673 61.300 0.140 0.000 1.311 431 I CB 1.064 39.134 38.000 0.115 0.000 1.401 431 I HN 0.503 nan 8.210 nan 0.000 0.491 432 L N 6.661 127.952 121.223 0.113 0.000 2.265 432 L HA 0.745 5.085 4.340 -0.000 0.000 0.289 432 L C 0.307 177.216 176.870 0.066 0.000 1.033 432 L CA 0.697 55.562 54.840 0.041 0.000 0.814 432 L CB 0.698 42.768 42.059 0.019 0.000 1.203 432 L HN 0.904 nan 8.230 nan 0.000 0.423 433 G N 4.229 112.967 108.800 -0.102 0.000 2.548 433 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.208 433 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.208 433 G C -0.396 174.486 174.900 -0.031 0.000 1.308 433 G CA -0.413 44.590 45.100 -0.161 0.000 0.924 433 G HN 0.737 nan 8.290 nan 0.000 0.540 434 I N 3.626 124.204 120.570 0.013 0.000 2.517 434 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 434 I C -1.133 175.087 176.117 0.172 0.000 1.106 434 I CA -1.179 60.147 61.300 0.044 0.000 1.402 434 I CB 0.853 38.831 38.000 -0.035 0.000 1.399 434 I HN 0.390 nan 8.210 nan 0.000 0.535 435 P HA 0.272 nan 4.420 nan 0.000 0.278 435 P C -0.508 176.734 177.300 -0.097 0.000 1.258 435 P CA -0.566 62.556 63.100 0.037 0.000 0.811 435 P CB 1.204 32.906 31.700 0.003 0.000 1.063 436 L N 1.451 122.478 121.223 -0.327 0.000 2.464 436 L HA 0.253 4.593 4.340 -0.000 0.000 0.264 436 L C -1.819 174.747 176.870 -0.506 0.000 1.199 436 L CA -1.761 52.646 54.840 -0.722 0.000 0.818 436 L CB -0.471 41.227 42.059 -0.602 0.000 1.102 436 L HN 0.261 nan 8.230 nan 0.000 0.473 437 P HA 0.087 nan 4.420 nan 0.000 0.271 437 P C -0.236 176.933 177.300 -0.219 0.000 1.216 437 P CA -0.176 62.678 63.100 -0.410 0.000 0.776 437 P CB 0.620 32.002 31.700 -0.531 0.000 0.881 438 K N 0.687 121.027 120.400 -0.100 0.000 2.026 438 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 438 K C 0.771 177.380 176.600 0.015 0.000 1.048 438 K CA 1.048 57.315 56.287 -0.034 0.000 0.929 438 K CB -0.245 32.244 32.500 -0.019 0.000 0.713 438 K HN 0.501 nan 8.250 nan 0.000 0.439 439 D N 1.477 121.897 120.400 0.033 0.000 2.344 439 D HA -0.029 4.611 4.640 -0.000 0.000 0.253 439 D C 0.510 176.919 176.300 0.181 0.000 1.255 439 D CA 0.144 54.188 54.000 0.073 0.000 0.894 439 D CB 0.854 41.687 40.800 0.056 0.000 1.067 439 D HN 0.005 nan 8.370 nan 0.000 0.492 440 Q N 1.950 121.832 119.800 0.137 0.000 2.515 440 Q HA -0.041 4.299 4.340 -0.000 0.000 0.212 440 Q C 1.387 177.353 176.000 -0.056 0.000 0.970 440 Q CA 0.659 56.532 55.803 0.117 0.000 0.941 440 Q CB -0.048 28.703 28.738 0.021 0.000 0.998 440 Q HN 0.620 nan 8.270 nan 0.000 0.518 441 T N -3.927 110.628 114.554 0.003 0.000 3.044 441 T HA 0.065 4.415 4.350 -0.000 0.000 0.260 441 T C 0.324 175.023 174.700 -0.001 0.000 1.019 441 T CA -0.409 61.664 62.100 -0.045 0.000 0.921 441 T CB 0.268 69.120 68.868 -0.027 0.000 1.053 441 T HN -0.158 nan 8.240 nan 0.000 0.533 442 D N 2.070 122.527 120.400 0.095 0.000 2.517 442 D HA 0.188 4.828 4.640 -0.000 0.000 0.220 442 D C 0.163 176.581 176.300 0.196 0.000 1.158 442 D CA -0.270 53.805 54.000 0.124 0.000 0.992 442 D CB 0.544 41.420 40.800 0.127 0.000 1.058 442 D HN 0.086 nan 8.370 nan 0.000 0.516 443 D N 2.094 122.539 120.400 0.075 0.000 2.123 443 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 443 D C 1.920 178.286 176.300 0.110 0.000 0.992 443 D CA 1.456 55.492 54.000 0.060 0.000 0.833 443 D CB -0.002 40.793 40.800 -0.009 0.000 0.954 443 D HN 0.505 nan 8.370 nan 0.000 0.455 444 A N 0.686 123.549 122.820 0.073 0.000 1.933 444 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 444 A C 2.270 179.893 177.584 0.064 0.000 1.175 444 A CA 2.180 54.248 52.037 0.052 0.000 0.628 444 A CB -0.745 18.273 19.000 0.030 0.000 0.814 444 A HN 0.245 nan 8.150 nan 0.000 0.444 445 A N -1.489 121.381 122.820 0.084 0.000 1.930 445 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 445 A C 1.907 179.497 177.584 0.010 0.000 1.175 445 A CA 1.315 53.369 52.037 0.028 0.000 0.627 445 A CB -0.647 18.348 19.000 -0.009 0.000 0.815 445 A HN 0.449 nan 8.150 nan 0.000 0.443 446 F N 0.286 120.222 119.950 -0.023 0.000 2.259 446 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 446 F C 2.416 178.226 175.800 0.017 0.000 1.088 446 F CA 1.589 59.580 58.000 -0.016 0.000 1.358 446 F CB -0.184 38.770 39.000 -0.076 0.000 1.040 446 F HN 0.305 nan 8.300 nan 0.000 0.505 447 E N -0.603 119.678 120.200 0.135 0.000 2.077 447 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 447 E C 2.126 178.709 176.600 -0.028 0.000 0.989 447 E CA 1.761 58.166 56.400 0.008 0.000 0.800 447 E CB -0.298 29.394 29.700 -0.013 0.000 0.746 447 E HN 0.292 nan 8.360 nan 0.000 0.452 448 T N 0.964 115.520 114.554 0.004 0.000 2.746 448 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 448 T C 1.477 176.158 174.700 -0.033 0.000 1.039 448 T CA 1.029 63.118 62.100 -0.019 0.000 1.142 448 T CB -0.360 68.502 68.868 -0.009 0.000 0.866 448 T HN 0.189 nan 8.240 nan 0.000 0.444 449 F N 1.374 121.232 119.950 -0.152 0.000 2.095 449 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 449 F C 2.484 178.187 175.800 -0.162 0.000 1.104 449 F CA 0.901 58.787 58.000 -0.189 0.000 1.232 449 F CB -0.798 38.023 39.000 -0.298 0.000 0.987 449 F HN 0.148 nan 8.300 nan 0.000 0.475 450 c N 1.127 119.700 118.600 -0.045 0.000 2.413 450 c HA -0.181 4.389 4.570 -0.000 0.000 0.276 450 c C 2.854 176.808 174.090 -0.227 0.000 1.236 450 c CA 1.464 57.688 56.329 -0.176 0.000 1.735 450 c CB -1.313 41.050 42.510 -0.245 0.000 2.031 450 c HN 0.476 nan 8.230 nan 0.000 0.474 451 R N 0.919 121.296 120.500 -0.206 0.000 2.075 451 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 451 R C 2.101 178.361 176.300 -0.067 0.000 1.126 451 R CA 1.743 57.805 56.100 -0.062 0.000 0.963 451 R CB -0.405 29.868 30.300 -0.045 0.000 0.858 451 R HN 0.774 nan 8.270 nan 0.000 0.435 452 E N 0.225 120.335 120.200 -0.151 0.000 2.435 452 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 452 E C 1.065 177.530 176.600 -0.226 0.000 1.029 452 E CA 1.043 57.353 56.400 -0.150 0.000 0.865 452 E CB 0.309 29.932 29.700 -0.128 0.000 0.833 452 E HN 0.193 nan 8.360 nan 0.000 0.510 453 S N 0.079 115.540 115.700 -0.400 0.000 2.559 453 S HA 0.160 4.630 4.470 -0.000 0.000 0.226 453 S C 0.601 174.977 174.600 -0.374 0.000 1.000 453 S CA -0.479 57.428 58.200 -0.489 0.000 0.948 453 S CB 0.427 63.013 63.200 -1.023 0.000 0.870 453 S HN 0.137 nan 8.310 nan 0.000 0.497 454 V N 2.341 122.112 119.914 -0.237 0.000 2.901 454 V HA 0.564 4.684 4.120 -0.000 0.000 0.307 454 V C 0.333 176.326 176.094 -0.168 0.000 1.084 454 V CA 0.817 63.019 62.300 -0.164 0.000 1.184 454 V CB 0.559 32.316 31.823 -0.110 0.000 0.941 454 V HN 0.767 nan 8.190 nan 0.000 0.493 455 A N 4.650 127.379 122.820 -0.151 0.000 2.552 455 A HA 0.793 5.113 4.320 -0.000 0.000 0.288 455 A C -0.449 176.965 177.584 -0.283 0.000 1.193 455 A CA -0.109 51.831 52.037 -0.162 0.000 0.713 455 A CB 1.715 20.721 19.000 0.009 0.000 1.305 455 A HN 1.042 nan 8.150 nan 0.000 0.424 456 S N -1.537 113.992 115.700 -0.284 0.000 2.585 456 S HA 0.459 4.929 4.470 -0.000 0.000 0.277 456 S C -0.126 174.097 174.600 -0.629 0.000 1.241 456 S CA -0.186 57.872 58.200 -0.235 0.000 1.041 456 S CB 0.505 63.709 63.200 0.008 0.000 0.987 456 S HN 0.659 nan 8.310 nan 0.000 0.512 457 Y N 3.205 123.188 120.300 -0.529 0.000 2.466 457 Y HA 0.170 4.720 4.550 -0.000 0.000 0.272 457 Y C 0.217 175.734 175.900 -0.639 0.000 1.169 457 Y CA 0.425 58.044 58.100 -0.802 0.000 1.285 457 Y CB 0.175 38.276 38.460 -0.598 0.000 1.078 457 Y HN 0.845 nan 8.280 nan 0.000 0.523 458 W N -1.086 120.266 121.300 0.086 0.000 2.869 458 W HA -0.294 4.366 4.660 -0.000 0.000 0.285 458 W C -0.068 176.527 176.519 0.127 0.000 1.098 458 W CA 1.067 58.527 57.345 0.191 0.000 0.571 458 W CB -2.690 26.875 29.460 0.174 0.000 2.131 458 W HN 0.440 nan 8.180 nan 0.000 1.367 459 H N -0.030 119.143 119.070 0.171 0.000 2.550 459 H HA 0.144 4.700 4.556 -0.000 0.000 0.304 459 H C 1.055 176.476 175.328 0.155 0.000 1.086 459 H CA -0.221 55.885 56.048 0.096 0.000 1.089 459 H CB -0.299 29.558 29.762 0.158 0.000 1.528 459 H HN 0.051 nan 8.280 nan 0.000 0.539 460 Y N 1.222 121.764 120.300 0.402 0.000 2.652 460 Y HA 0.102 4.652 4.550 -0.000 0.000 0.344 460 Y C 0.722 176.859 175.900 0.397 0.000 1.254 460 Y CA -0.599 57.637 58.100 0.226 0.000 1.480 460 Y CB 0.279 38.780 38.460 0.067 0.000 1.345 460 Y HN 0.235 nan 8.280 nan 0.000 0.617 461 H N -0.774 118.549 119.070 0.421 0.000 2.902 461 H HA 0.646 5.202 4.556 -0.000 0.000 0.297 461 H C 0.114 175.639 175.328 0.328 0.000 1.406 461 H CA -1.132 55.111 56.048 0.325 0.000 1.134 461 H CB 1.146 31.081 29.762 0.288 0.000 1.833 461 H HN 1.431 nan 8.280 nan 0.000 0.527 462 G N -1.432 107.555 108.800 0.311 0.000 2.660 462 G HA2 0.306 4.265 3.960 -0.000 0.000 0.247 462 G HA3 0.306 4.265 3.960 -0.000 0.000 0.247 462 G C 0.629 175.644 174.900 0.190 0.000 1.328 462 G CA 1.568 46.809 45.100 0.234 0.000 0.884 462 G HN 2.007 nan 8.290 nan 0.000 0.531 463 G N -2.821 106.087 108.800 0.180 0.000 2.238 463 G HA2 0.076 4.036 3.960 -0.000 0.000 0.217 463 G HA3 0.076 4.036 3.960 -0.000 0.000 0.217 463 G C 1.123 176.080 174.900 0.094 0.000 0.996 463 G CA 1.620 46.791 45.100 0.120 0.000 0.632 463 G HN 2.478 nan 8.290 nan 0.000 0.503 464 C N 2.453 121.802 119.300 0.082 0.000 3.319 464 C HA 0.577 5.037 4.460 -0.000 0.000 0.200 464 C C 0.669 175.655 174.990 -0.006 0.000 1.332 464 C CA -1.004 58.039 59.018 0.042 0.000 1.170 464 C CB -1.543 26.205 27.740 0.014 0.000 1.855 464 C HN 0.441 nan 8.230 nan 0.000 0.593 465 L N 2.114 123.338 121.223 0.003 0.000 2.456 465 L HA 0.275 4.615 4.340 -0.000 0.000 0.272 465 L C 0.594 177.357 176.870 -0.178 0.000 1.189 465 L CA 0.021 54.789 54.840 -0.119 0.000 0.846 465 L CB 0.564 42.531 42.059 -0.154 0.000 1.111 465 L HN 0.099 nan 8.230 nan 0.000 0.475 466 V N 2.732 122.460 119.914 -0.311 0.000 2.585 466 V HA 0.222 4.342 4.120 -0.000 0.000 0.296 466 V C 1.128 177.103 176.094 -0.199 0.000 1.035 466 V CA 1.479 63.589 62.300 -0.317 0.000 1.084 466 V CB 0.584 32.136 31.823 -0.452 0.000 0.953 466 V HN 1.139 nan 8.190 nan 0.000 0.483 467 G N 4.395 113.105 108.800 -0.150 0.000 2.213 467 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.236 467 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.236 467 G C 0.878 175.708 174.900 -0.118 0.000 0.991 467 G CA 0.366 45.393 45.100 -0.122 0.000 0.629 467 G HN 0.574 nan 8.290 nan 0.000 0.517 468 K N -0.801 119.542 120.400 -0.096 0.000 2.410 468 K HA 0.475 4.795 4.320 -0.000 0.000 0.204 468 K C 2.167 178.914 176.600 0.246 0.000 1.268 468 K CA 1.243 57.513 56.287 -0.028 0.000 0.896 468 K CB -0.050 32.351 32.500 -0.166 0.000 1.401 468 K HN 0.365 nan 8.250 nan 0.000 0.479 469 V N 1.329 121.340 119.914 0.162 0.000 3.151 469 V HA 0.223 4.343 4.120 -0.000 0.000 0.241 469 V C 1.012 177.157 176.094 0.086 0.000 1.173 469 V CA 0.294 62.702 62.300 0.180 0.000 1.154 469 V CB 0.422 32.269 31.823 0.040 0.000 0.898 469 V HN 0.002 nan 8.190 nan 0.000 0.473 470 L N 1.078 122.295 121.223 -0.009 0.000 2.332 470 L HA 0.572 4.912 4.340 -0.000 0.000 0.269 470 L C -0.357 176.454 176.870 -0.099 0.000 1.016 470 L CA -0.848 53.956 54.840 -0.059 0.000 0.809 470 L CB 1.219 43.203 42.059 -0.124 0.000 1.280 470 L HN 0.268 nan 8.230 nan 0.000 0.447 471 D N -0.132 120.203 120.400 -0.108 0.000 2.529 471 D HA 0.177 4.817 4.640 -0.000 0.000 0.273 471 D C 1.116 177.262 176.300 -0.256 0.000 1.197 471 D CA -0.437 53.487 54.000 -0.128 0.000 1.070 471 D CB 0.731 41.493 40.800 -0.064 0.000 1.134 471 D HN 0.553 nan 8.370 nan 0.000 0.590 472 G N -1.348 107.321 108.800 -0.219 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 0.437 175.147 174.900 -0.316 0.000 1.128 472 G CA 0.351 45.275 45.100 -0.295 0.000 0.774 472 G HN 0.501 nan 8.290 nan 0.000 0.543 473 D N -0.412 119.875 120.400 -0.188 0.000 2.440 473 D HA 0.174 4.814 4.640 -0.000 0.000 0.216 473 D C 0.373 176.776 176.300 0.172 0.000 1.150 473 D CA -0.555 53.449 54.000 0.007 0.000 0.832 473 D CB 0.167 40.980 40.800 0.021 0.000 0.992 473 D HN 0.253 nan 8.370 nan 0.000 0.502 474 F N 0.222 120.138 119.950 -0.057 0.000 2.953 474 F HA -0.278 4.249 4.527 -0.000 0.000 0.292 474 F C 0.652 176.430 175.800 -0.037 0.000 0.747 474 F CA 0.377 58.342 58.000 -0.059 0.000 1.222 474 F CB -1.763 37.205 39.000 -0.052 0.000 1.457 474 F HN -0.094 nan 8.300 nan 0.000 0.383 475 R N 0.341 120.882 120.500 0.069 0.000 2.441 475 R HA 0.518 4.858 4.340 -0.000 0.000 0.284 475 R C -0.052 176.272 176.300 0.039 0.000 1.070 475 R CA -0.715 55.422 56.100 0.061 0.000 1.047 475 R CB 1.191 31.520 30.300 0.048 0.000 1.016 475 R HN -0.046 nan 8.270 nan 0.000 0.477 476 V N 3.460 123.402 119.914 0.046 0.000 2.470 476 V HA -0.015 4.105 4.120 -0.000 0.000 0.276 476 V C 0.838 176.992 176.094 0.099 0.000 1.040 476 V CA -0.158 62.156 62.300 0.023 0.000 1.008 476 V CB 0.777 32.594 31.823 -0.010 0.000 0.990 476 V HN 0.901 nan 8.190 nan 0.000 0.477 477 T N 2.283 116.937 114.554 0.166 0.000 2.940 477 T HA 0.401 4.750 4.350 -0.000 0.000 0.309 477 T C 1.322 176.151 174.700 0.214 0.000 1.056 477 T CA 0.300 62.506 62.100 0.175 0.000 1.137 477 T CB 1.000 69.960 68.868 0.154 0.000 0.976 477 T HN 1.726 nan 8.240 nan 0.000 0.547 478 G N 2.467 111.328 108.800 0.102 0.000 2.205 478 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.261 478 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.261 478 G C 0.066 175.008 174.900 0.071 0.000 0.980 478 G CA 0.183 45.322 45.100 0.065 0.000 0.632 478 G HN 0.936 nan 8.290 nan 0.000 0.533 479 I N 1.089 121.719 120.570 0.101 0.000 2.466 479 I HA 0.329 4.499 4.170 -0.000 0.000 0.289 479 I C -0.630 175.553 176.117 0.110 0.000 1.026 479 I CA -1.117 60.249 61.300 0.111 0.000 1.078 479 I CB 1.731 39.823 38.000 0.154 0.000 1.249 479 I HN -0.068 nan 8.210 nan 0.000 0.429 480 N N 4.076 122.838 118.700 0.105 0.000 2.493 480 N HA 0.395 5.135 4.740 -0.000 0.000 0.275 480 N C 0.645 176.206 175.510 0.085 0.000 1.186 480 N CA 0.132 53.229 53.050 0.080 0.000 0.978 480 N CB 1.458 39.981 38.487 0.059 0.000 1.184 480 N HN 0.862 nan 8.380 nan 0.000 0.487 481 A N -0.295 122.557 122.820 0.054 0.000 2.822 481 A HA -0.205 4.115 4.320 -0.000 0.000 0.287 481 A C -0.403 177.208 177.584 0.045 0.000 1.479 481 A CA 0.693 52.749 52.037 0.033 0.000 0.779 481 A CB -1.990 17.013 19.000 0.005 0.000 1.022 481 A HN 0.480 nan 8.150 nan 0.000 0.532 482 L N -0.809 120.457 121.223 0.070 0.000 2.476 482 L HA 0.794 5.134 4.340 -0.000 0.000 0.269 482 L C -0.224 176.689 176.870 0.072 0.000 0.965 482 L CA -0.269 54.615 54.840 0.073 0.000 0.845 482 L CB 1.481 43.612 42.059 0.121 0.000 1.259 482 L HN 0.378 nan 8.230 nan 0.000 0.403 483 R N 3.223 123.761 120.500 0.063 0.000 2.888 483 R HA 0.880 5.220 4.340 -0.000 0.000 0.264 483 R C -1.637 174.696 176.300 0.055 0.000 1.045 483 R CA -1.134 55.011 56.100 0.074 0.000 0.962 483 R CB 2.518 32.869 30.300 0.085 0.000 1.210 483 R HN 0.348 nan 8.270 nan 0.000 0.479 484 V N 1.599 121.560 119.914 0.079 0.000 2.577 484 V HA 0.406 4.526 4.120 -0.000 0.000 0.303 484 V C -0.939 175.184 176.094 0.049 0.000 1.042 484 V CA -0.682 61.648 62.300 0.050 0.000 0.872 484 V CB 2.089 33.938 31.823 0.044 0.000 0.998 484 V HN 0.462 nan 8.190 nan 0.000 0.423 485 V N 5.105 124.994 119.914 -0.040 0.000 2.498 485 V HA 0.695 4.815 4.120 -0.000 0.000 0.283 485 V C -0.798 175.232 176.094 -0.107 0.000 1.015 485 V CA -0.391 61.822 62.300 -0.145 0.000 0.867 485 V CB 1.283 32.966 31.823 -0.234 0.000 1.025 485 V HN 1.134 nan 8.190 nan 0.000 0.441 486 D N 2.973 123.318 120.400 -0.092 0.000 3.235 486 D HA 0.204 4.844 4.640 -0.000 0.000 0.360 486 D C 1.060 177.218 176.300 -0.236 0.000 1.465 486 D CA 0.131 54.046 54.000 -0.142 0.000 0.874 486 D CB 0.641 41.379 40.800 -0.103 0.000 1.465 486 D HN 0.336 nan 8.370 nan 0.000 0.533 487 G N -0.962 107.545 108.800 -0.487 0.000 2.776 487 G HA2 0.042 4.002 3.960 -0.000 0.000 0.209 487 G HA3 0.042 4.002 3.960 -0.000 0.000 0.209 487 G C 0.997 175.864 174.900 -0.056 0.000 1.145 487 G CA 0.978 45.696 45.100 -0.636 0.000 0.791 487 G HN 0.637 nan 8.290 nan 0.000 0.530 488 S N -0.018 115.680 115.700 -0.004 0.000 2.562 488 S HA -0.067 4.403 4.470 -0.000 0.000 0.221 488 S C 2.131 176.757 174.600 0.043 0.000 0.975 488 S CA 1.237 59.480 58.200 0.071 0.000 0.918 488 S CB -0.262 62.968 63.200 0.049 0.000 0.772 488 S HN 0.352 nan 8.310 nan 0.000 0.531 489 T N -1.604 112.944 114.554 -0.011 0.000 3.088 489 T HA 0.335 4.685 4.350 -0.000 0.000 0.259 489 T C 0.078 174.456 174.700 -0.537 0.000 1.122 489 T CA -0.178 61.773 62.100 -0.248 0.000 1.095 489 T CB -0.542 68.164 68.868 -0.270 0.000 0.930 489 T HN 0.348 nan 8.240 nan 0.000 0.508 490 F N 1.201 121.253 119.950 0.169 0.000 2.576 490 F HA 0.471 4.998 4.527 -0.000 0.000 0.313 490 F C -1.800 173.985 175.800 -0.024 0.000 1.078 490 F CA -2.635 55.394 58.000 0.048 0.000 0.921 490 F CB 2.224 41.269 39.000 0.075 0.000 1.232 490 F HN -0.299 nan 8.300 nan 0.000 0.459 491 P HA -0.077 nan 4.420 nan 0.000 0.222 491 P C -0.534 176.324 177.300 -0.737 0.000 1.153 491 P CA 1.358 64.038 63.100 -0.701 0.000 0.798 491 P CB 0.403 31.468 31.700 -1.058 0.000 0.796 492 Y N -1.472 118.797 120.300 -0.051 0.000 2.509 492 Y HA 0.384 4.934 4.550 -0.000 0.000 0.341 492 Y C 1.104 176.773 175.900 -0.386 0.000 1.038 492 Y CA -1.297 56.750 58.100 -0.088 0.000 1.089 492 Y CB 1.373 39.763 38.460 -0.117 0.000 1.241 492 Y HN -0.367 nan 8.280 nan 0.000 0.468 493 T N 4.255 118.640 114.554 -0.281 0.000 2.901 493 T HA 0.064 4.414 4.350 -0.000 0.000 0.301 493 T C -1.250 173.167 174.700 -0.471 0.000 1.012 493 T CA -1.425 60.390 62.100 -0.476 0.000 1.135 493 T CB 0.545 69.274 68.868 -0.232 0.000 0.936 493 T HN 0.521 nan 8.240 nan 0.000 0.539 494 P HA 0.207 nan 4.420 nan 0.000 0.229 494 P C 0.010 176.808 177.300 -0.836 0.000 1.160 494 P CA 0.397 62.967 63.100 -0.883 0.000 0.777 494 P CB 0.273 31.200 31.700 -1.287 0.000 0.814 495 A N -0.658 121.681 122.820 -0.801 0.000 2.483 495 A HA 0.419 4.739 4.320 -0.000 0.000 0.306 495 A C 1.148 178.230 177.584 -0.837 0.000 1.137 495 A CA 0.347 51.717 52.037 -1.110 0.000 0.626 495 A CB -0.263 18.289 19.000 -0.746 0.000 1.352 495 A HN -0.076 nan 8.150 nan 0.000 0.508 496 S N -0.542 114.713 115.700 -0.742 0.000 2.399 496 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 496 S C 0.497 174.864 174.600 -0.389 0.000 1.022 496 S CA 1.999 59.906 58.200 -0.487 0.000 0.983 496 S CB -0.506 62.619 63.200 -0.125 0.000 0.803 496 S HN 0.767 nan 8.310 nan 0.000 0.480 497 H N 1.015 119.973 119.070 -0.186 0.000 2.823 497 H HA 0.406 4.962 4.556 -0.000 0.000 0.332 497 H C -2.184 172.911 175.328 -0.389 0.000 0.980 497 H CA -1.519 54.413 56.048 -0.193 0.000 1.286 497 H CB 1.965 31.696 29.762 -0.052 0.000 1.541 497 H HN 0.066 nan 8.280 nan 0.000 0.521 498 P HA -0.116 nan 4.420 nan 0.000 0.240 498 P C 1.010 177.980 177.300 -0.550 0.000 1.190 498 P CA 0.519 63.264 63.100 -0.592 0.000 0.781 498 P CB 0.610 31.905 31.700 -0.674 0.000 0.931 499 Q N 0.357 120.007 119.800 -0.249 0.000 2.135 499 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 499 Q C 2.183 178.151 176.000 -0.054 0.000 0.981 499 Q CA 2.102 57.875 55.803 -0.050 0.000 0.856 499 Q CB -1.620 27.151 28.738 0.056 0.000 0.902 499 Q HN 0.115 nan 8.270 nan 0.000 0.425 500 G N 0.616 109.272 108.800 -0.239 0.000 2.446 500 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 500 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 500 G C 1.138 176.080 174.900 0.069 0.000 1.168 500 G CA 0.817 45.750 45.100 -0.278 0.000 0.771 500 G HN 0.466 nan 8.290 nan 0.000 0.551 501 F N 0.587 120.416 119.950 -0.202 0.000 2.134 501 F HA -0.002 4.525 4.527 -0.000 0.000 0.299 501 F C 2.534 178.309 175.800 -0.041 0.000 1.097 501 F CA 1.239 59.144 58.000 -0.157 0.000 1.264 501 F CB -0.274 38.483 39.000 -0.405 0.000 1.001 501 F HN 0.281 nan 8.300 nan 0.000 0.479 502 Y N -0.358 119.955 120.300 0.021 0.000 2.293 502 Y HA -0.191 4.359 4.550 -0.000 0.000 0.291 502 Y C 2.339 178.198 175.900 -0.068 0.000 1.137 502 Y CA 0.615 58.686 58.100 -0.049 0.000 1.202 502 Y CB -0.362 38.137 38.460 0.064 0.000 0.990 502 Y HN 0.069 nan 8.280 nan 0.000 0.537 503 L N -0.655 120.654 121.223 0.143 0.000 2.056 503 L HA -0.251 4.088 4.340 -0.000 0.000 0.207 503 L C 2.662 179.571 176.870 0.064 0.000 1.078 503 L CA 0.924 55.847 54.840 0.139 0.000 0.749 503 L CB -0.440 41.750 42.059 0.218 0.000 0.901 503 L HN 0.338 nan 8.230 nan 0.000 0.433 504 M N -0.068 119.520 119.600 -0.020 0.000 2.117 504 M HA -0.213 4.267 4.480 -0.000 0.000 0.262 504 M C 2.341 178.516 176.300 -0.208 0.000 1.065 504 M CA 1.959 57.148 55.300 -0.185 0.000 1.114 504 M CB -0.569 31.698 32.600 -0.556 0.000 1.361 504 M HN 0.253 nan 8.290 nan 0.000 0.408 505 L N 0.911 121.953 121.223 -0.302 0.000 2.043 505 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 505 L C 2.313 179.092 176.870 -0.151 0.000 1.075 505 L CA 2.403 57.093 54.840 -0.250 0.000 0.752 505 L CB -1.392 40.481 42.059 -0.310 0.000 0.891 505 L HN 0.404 nan 8.230 nan 0.000 0.432 506 G N -0.926 107.804 108.800 -0.118 0.000 2.459 506 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.217 506 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.217 506 G C 1.799 176.609 174.900 -0.150 0.000 1.183 506 G CA 0.890 45.921 45.100 -0.115 0.000 0.776 506 G HN 0.457 nan 8.290 nan 0.000 0.552 507 R N -1.086 119.312 120.500 -0.171 0.000 2.092 507 R HA -0.061 4.279 4.340 -0.000 0.000 0.231 507 R C 2.258 178.402 176.300 -0.261 0.000 1.119 507 R CA 1.149 57.059 56.100 -0.318 0.000 0.970 507 R CB -0.540 29.414 30.300 -0.577 0.000 0.864 507 R HN 0.430 nan 8.270 nan 0.000 0.440 508 Y N 0.707 120.848 120.300 -0.265 0.000 2.081 508 Y HA -0.270 4.280 4.550 -0.000 0.000 0.280 508 Y C 1.966 177.755 175.900 -0.186 0.000 1.163 508 Y CA 2.119 60.106 58.100 -0.189 0.000 1.135 508 Y CB -0.317 38.093 38.460 -0.084 0.000 0.970 508 Y HN -0.123 nan 8.280 nan 0.000 0.498 509 V N 0.099 119.960 119.914 -0.089 0.000 2.515 509 V HA -0.242 3.877 4.120 -0.000 0.000 0.250 509 V C 2.588 178.541 176.094 -0.235 0.000 1.058 509 V CA 1.743 63.931 62.300 -0.186 0.000 1.064 509 V CB -1.548 30.109 31.823 -0.277 0.000 0.675 509 V HN 0.658 nan 8.190 nan 0.000 0.461 510 G N 0.318 108.968 108.800 -0.250 0.000 2.440 510 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 510 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 510 G C 1.471 176.210 174.900 -0.269 0.000 1.154 510 G CA 0.867 45.806 45.100 -0.268 0.000 0.767 510 G HN 0.384 nan 8.290 nan 0.000 0.552 511 I N 0.812 121.197 120.570 -0.308 0.000 2.252 511 I HA -0.060 4.110 4.170 -0.000 0.000 0.245 511 I C 2.535 178.489 176.117 -0.271 0.000 1.102 511 I CA 1.020 62.143 61.300 -0.294 0.000 1.385 511 I CB -0.661 37.132 38.000 -0.345 0.000 1.064 511 I HN 0.096 nan 8.210 nan 0.000 0.414 512 K N 0.762 120.962 120.400 -0.335 0.000 2.097 512 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 512 K C 2.115 178.627 176.600 -0.148 0.000 1.049 512 K CA 1.160 57.294 56.287 -0.255 0.000 0.933 512 K CB -0.398 31.947 32.500 -0.258 0.000 0.717 512 K HN 0.357 nan 8.250 nan 0.000 0.442 513 I N 0.904 121.385 120.570 -0.148 0.000 2.252 513 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 513 I C 2.256 178.331 176.117 -0.070 0.000 1.102 513 I CA 0.853 62.091 61.300 -0.103 0.000 1.385 513 I CB -0.226 37.676 38.000 -0.163 0.000 1.064 513 I HN 0.025 nan 8.210 nan 0.000 0.414 514 L N 0.037 121.209 121.223 -0.086 0.000 2.083 514 L HA -0.228 4.111 4.340 -0.000 0.000 0.209 514 L C 2.619 179.490 176.870 0.001 0.000 1.083 514 L CA 1.419 56.258 54.840 -0.001 0.000 0.752 514 L CB -0.611 41.428 42.059 -0.033 0.000 0.899 514 L HN 0.334 nan 8.230 nan 0.000 0.433 515 Q N -0.309 119.460 119.800 -0.051 0.000 2.119 515 Q HA -0.259 4.081 4.340 -0.000 0.000 0.201 515 Q C 2.063 178.052 176.000 -0.018 0.000 0.972 515 Q CA 1.544 57.321 55.803 -0.043 0.000 0.847 515 Q CB -0.079 28.613 28.738 -0.076 0.000 0.903 515 Q HN 0.511 nan 8.270 nan 0.000 0.433 516 E N 0.592 120.780 120.200 -0.020 0.000 2.072 516 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 516 E C 2.007 178.618 176.600 0.017 0.000 0.985 516 E CA 0.563 56.960 56.400 -0.005 0.000 0.801 516 E CB 0.256 29.951 29.700 -0.008 0.000 0.750 516 E HN 0.103 nan 8.360 nan 0.000 0.452 517 R N 0.294 120.817 120.500 0.038 0.000 2.120 517 R HA -0.021 4.319 4.340 -0.000 0.000 0.234 517 R C 2.438 178.794 176.300 0.094 0.000 1.123 517 R CA 1.067 57.212 56.100 0.075 0.000 0.975 517 R CB -0.680 29.703 30.300 0.138 0.000 0.866 517 R HN 0.138 nan 8.270 nan 0.000 0.446 518 S N 0.920 116.666 115.700 0.075 0.000 2.383 518 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 518 S C 1.976 176.596 174.600 0.033 0.000 1.026 518 S CA 1.147 59.379 58.200 0.054 0.000 0.981 518 S CB -0.090 63.127 63.200 0.027 0.000 0.818 518 S HN 0.460 nan 8.310 nan 0.000 0.472 519 A N 1.375 124.208 122.820 0.022 0.000 2.066 519 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 519 A C 2.041 179.635 177.584 0.017 0.000 1.157 519 A CA 1.473 53.518 52.037 0.013 0.000 0.670 519 A CB -0.396 18.607 19.000 0.005 0.000 0.804 519 A HN 0.557 nan 8.150 nan 0.000 0.453 520 S N -0.623 115.091 115.700 0.024 0.000 2.572 520 S HA 0.150 4.619 4.470 -0.000 0.000 0.228 520 S C -0.040 174.577 174.600 0.030 0.000 0.963 520 S CA -0.541 57.672 58.200 0.021 0.000 0.939 520 S CB -0.088 63.121 63.200 0.016 0.000 0.804 520 S HN 0.376 nan 8.310 nan 0.000 0.480 521 D N 0.000 120.424 120.400 0.039 0.000 6.856 521 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 521 D CA 0.000 54.027 54.000 0.045 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