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 3gdn_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 0.000 176.705 176.870 -0.274 0.000 1.165 1 L CA 0.000 54.712 54.840 -0.214 0.000 0.813 1 L CB 0.000 41.978 42.059 -0.135 0.000 0.961 2 A N 0.108 122.635 122.820 -0.487 0.000 2.242 2 A HA 0.875 5.195 4.320 0.000 0.000 0.304 2 A C -0.336 177.115 177.584 -0.221 0.000 1.100 2 A CA -0.264 51.493 52.037 -0.467 0.000 0.860 2 A CB 1.012 19.537 19.000 -0.791 0.000 1.168 2 A HN 0.586 nan 8.150 nan 0.000 0.503 3 T N 1.212 115.750 114.554 -0.026 0.000 2.823 3 T HA 0.445 4.795 4.350 0.000 0.000 0.279 3 T C 0.013 174.835 174.700 0.204 0.000 0.998 3 T CA -0.126 62.033 62.100 0.098 0.000 0.994 3 T CB 1.008 69.886 68.868 0.018 0.000 0.960 3 T HN 0.659 nan 8.240 nan 0.000 0.448 4 T N 3.962 118.609 114.554 0.155 0.000 2.867 4 T HA 0.279 4.630 4.350 0.000 0.000 0.290 4 T C 0.482 175.200 174.700 0.030 0.000 1.025 4 T CA 0.287 62.385 62.100 -0.002 0.000 1.146 4 T CB -0.213 68.636 68.868 -0.032 0.000 1.024 4 T HN 0.870 nan 8.240 nan 0.000 0.519 5 S N 1.855 117.589 115.700 0.056 0.000 2.636 5 S HA 0.434 4.904 4.470 0.000 0.000 0.266 5 S C -1.749 172.964 174.600 0.187 0.000 1.147 5 S CA -1.285 56.972 58.200 0.096 0.000 0.815 5 S CB 1.183 64.425 63.200 0.070 0.000 1.119 5 S HN 0.454 nan 8.310 nan 0.000 0.470 6 D N 1.014 121.492 120.400 0.130 0.000 2.357 6 D HA 0.249 4.890 4.640 0.000 0.000 0.242 6 D C 0.030 176.418 176.300 0.148 0.000 1.153 6 D CA 0.329 54.400 54.000 0.119 0.000 0.918 6 D CB 0.022 40.879 40.800 0.095 0.000 1.181 6 D HN 0.714 nan 8.370 nan 0.000 0.435 7 H N 0.780 119.811 119.070 -0.066 0.000 3.046 7 H HA -0.031 4.525 4.556 0.000 0.000 0.303 7 H C -0.292 174.896 175.328 -0.234 0.000 1.002 7 H CA 0.167 56.076 56.048 -0.231 0.000 1.460 7 H CB 0.383 29.928 29.762 -0.361 0.000 1.493 7 H HN 0.043 nan 8.280 nan 0.000 0.559 8 D N 4.993 125.173 120.400 -0.367 0.000 2.359 8 D HA -0.038 4.603 4.640 0.000 0.000 0.250 8 D C -0.416 175.690 176.300 -0.324 0.000 1.264 8 D CA 0.096 53.962 54.000 -0.224 0.000 0.911 8 D CB -0.260 40.457 40.800 -0.139 0.000 1.056 8 D HN 0.545 nan 8.370 nan 0.000 0.499 9 F N 1.750 121.628 119.950 -0.120 0.000 2.730 9 F HA 0.091 4.618 4.527 0.000 0.000 0.295 9 F C 2.152 177.637 175.800 -0.525 0.000 1.143 9 F CA -0.383 57.353 58.000 -0.439 0.000 1.367 9 F CB 0.393 39.194 39.000 -0.333 0.000 0.970 9 F HN 0.239 nan 8.300 nan 0.000 0.514 10 S N -0.309 115.291 115.700 -0.166 0.000 2.399 10 S HA -0.261 4.209 4.470 0.000 0.000 0.231 10 S C 1.865 176.319 174.600 -0.244 0.000 1.022 10 S CA 1.423 59.547 58.200 -0.126 0.000 0.983 10 S CB -0.531 62.660 63.200 -0.014 0.000 0.803 10 S HN 0.721 nan 8.310 nan 0.000 0.480 11 Y N 1.257 121.407 120.300 -0.250 0.000 2.569 11 Y HA 0.103 4.654 4.550 0.000 0.000 0.293 11 Y C 1.459 176.780 175.900 -0.965 0.000 1.144 11 Y CA 0.201 57.814 58.100 -0.812 0.000 1.321 11 Y CB -1.061 37.119 38.460 -0.466 0.000 0.982 11 Y HN 0.125 nan 8.280 nan 0.000 0.558 12 L N 0.842 121.640 121.223 -0.709 0.000 2.353 12 L HA -0.192 4.148 4.340 0.000 0.000 0.220 12 L C 2.620 179.248 176.870 -0.403 0.000 1.133 12 L CA 1.404 55.959 54.840 -0.474 0.000 0.798 12 L CB -0.739 41.084 42.059 -0.394 0.000 0.922 12 L HN 0.547 nan 8.230 nan 0.000 0.445 13 S N 0.701 116.168 115.700 -0.387 0.000 2.442 13 S HA -0.173 4.297 4.470 0.000 0.000 0.236 13 S C 1.213 175.736 174.600 -0.128 0.000 1.007 13 S CA 0.832 58.918 58.200 -0.190 0.000 0.965 13 S CB -0.472 62.708 63.200 -0.034 0.000 0.773 13 S HN 0.566 nan 8.310 nan 0.000 0.504 14 F N 0.205 120.109 119.950 -0.077 0.000 2.805 14 F HA 0.833 5.360 4.527 0.000 0.000 0.317 14 F C 0.110 175.797 175.800 -0.187 0.000 1.146 14 F CA -1.629 56.320 58.000 -0.085 0.000 1.265 14 F CB -0.258 38.814 39.000 0.119 0.000 0.992 14 F HN 0.244 nan 8.300 nan 0.000 0.511 15 A N 0.800 123.408 122.820 -0.354 0.000 2.276 15 A HA 0.732 5.052 4.320 0.000 0.000 0.316 15 A C -1.554 175.774 177.584 -0.427 0.000 1.229 15 A CA -0.338 51.587 52.037 -0.188 0.000 0.851 15 A CB 0.348 19.305 19.000 -0.071 0.000 1.165 15 A HN 0.415 nan 8.150 nan 0.000 0.513 16 Y N 0.352 120.702 120.300 0.083 0.000 2.545 16 Y HA 0.379 4.930 4.550 0.000 0.000 0.348 16 Y C 0.142 176.068 175.900 0.043 0.000 1.002 16 Y CA -0.863 57.279 58.100 0.070 0.000 1.039 16 Y CB 1.639 40.158 38.460 0.097 0.000 1.271 16 Y HN 0.714 nan 8.280 nan 0.000 0.467 17 D N 0.839 121.379 120.400 0.234 0.000 2.255 17 D HA 0.255 4.895 4.640 0.000 0.000 0.249 17 D C 0.837 177.241 176.300 0.175 0.000 1.078 17 D CA 0.316 54.424 54.000 0.179 0.000 0.896 17 D CB 2.096 43.019 40.800 0.205 0.000 1.194 17 D HN 0.792 nan 8.370 nan 0.000 0.429 18 A N 2.916 125.814 122.820 0.130 0.000 1.958 18 A HA -0.245 4.076 4.320 0.000 0.000 0.221 18 A C 2.075 179.694 177.584 0.058 0.000 1.178 18 A CA 2.699 54.775 52.037 0.065 0.000 0.642 18 A CB -1.049 17.985 19.000 0.055 0.000 0.816 18 A HN 0.781 nan 8.150 nan 0.000 0.453 19 T N -2.734 111.902 114.554 0.137 0.000 2.915 19 T HA -0.115 4.235 4.350 0.000 0.000 0.269 19 T C 1.074 175.903 174.700 0.214 0.000 1.071 19 T CA 1.493 63.709 62.100 0.194 0.000 1.132 19 T CB -0.327 68.631 68.868 0.150 0.000 0.878 19 T HN 0.439 nan 8.240 nan 0.000 0.479 20 D N 0.649 121.164 120.400 0.190 0.000 2.339 20 D HA 0.278 4.918 4.640 0.000 0.000 0.217 20 D C 0.590 176.968 176.300 0.130 0.000 1.050 20 D CA 0.005 54.107 54.000 0.170 0.000 0.856 20 D CB 0.172 41.097 40.800 0.207 0.000 0.922 20 D HN 0.425 nan 8.370 nan 0.000 0.518 21 L N 1.971 123.301 121.223 0.177 0.000 2.439 21 L HA 0.078 4.418 4.340 0.000 0.000 0.261 21 L C 1.113 178.141 176.870 0.263 0.000 1.153 21 L CA -0.805 54.136 54.840 0.168 0.000 0.808 21 L CB 0.784 42.980 42.059 0.229 0.000 1.126 21 L HN -0.025 nan 8.230 nan 0.000 0.460 22 E N 2.492 122.818 120.200 0.209 0.000 2.418 22 E HA -0.041 4.309 4.350 0.000 0.000 0.261 22 E C 0.584 177.316 176.600 0.220 0.000 1.070 22 E CA -0.065 56.437 56.400 0.169 0.000 0.931 22 E CB 0.775 30.549 29.700 0.123 0.000 0.954 22 E HN 0.566 nan 8.360 nan 0.000 0.439 23 L N -0.107 121.127 121.223 0.018 0.000 2.156 23 L HA -0.010 4.330 4.340 0.000 0.000 0.208 23 L C 1.227 178.081 176.870 -0.027 0.000 1.095 23 L CA 1.125 55.849 54.840 -0.192 0.000 0.770 23 L CB -0.089 41.846 42.059 -0.207 0.000 0.914 23 L HN 0.666 nan 8.230 nan 0.000 0.439 24 E N -0.619 119.633 120.200 0.086 0.000 2.265 24 E HA 0.472 4.822 4.350 0.000 0.000 0.262 24 E C -0.893 175.837 176.600 0.217 0.000 0.889 24 E CA -0.351 56.164 56.400 0.191 0.000 0.789 24 E CB 1.836 31.646 29.700 0.183 0.000 1.221 24 E HN 0.064 nan 8.360 nan 0.000 0.414 25 G N 1.333 110.321 108.800 0.313 0.000 2.574 25 G HA2 0.503 4.463 3.960 0.000 0.000 0.299 25 G HA3 0.503 4.463 3.960 0.000 0.000 0.299 25 G C -1.366 173.694 174.900 0.268 0.000 1.298 25 G CA -0.560 44.687 45.100 0.245 0.000 0.952 25 G HN 0.310 nan 8.290 nan 0.000 0.477 26 S N -0.275 115.378 115.700 -0.079 0.000 2.502 26 S HA 0.828 5.298 4.470 0.000 0.000 0.304 26 S C -1.424 172.953 174.600 -0.373 0.000 1.097 26 S CA -0.588 57.595 58.200 -0.029 0.000 1.045 26 S CB 0.610 63.785 63.200 -0.041 0.000 1.019 26 S HN 0.438 nan 8.310 nan 0.000 0.481 27 Y N 1.255 121.594 120.300 0.066 0.000 2.677 27 Y HA 0.438 4.988 4.550 0.000 0.000 0.334 27 Y C 0.999 176.881 175.900 -0.030 0.000 1.154 27 Y CA -1.006 57.117 58.100 0.037 0.000 1.070 27 Y CB 0.904 39.394 38.460 0.049 0.000 1.294 27 Y HN 0.509 nan 8.280 nan 0.000 0.475 28 D N -0.320 120.158 120.400 0.130 0.000 2.162 28 D HA -0.027 4.613 4.640 0.000 0.000 0.205 28 D C -0.715 175.273 176.300 -0.521 0.000 0.964 28 D CA 1.732 55.624 54.000 -0.181 0.000 0.847 28 D CB 0.289 41.070 40.800 -0.033 0.000 0.988 28 D HN 0.352 nan 8.370 nan 0.000 0.480 29 Y N -0.545 119.796 120.300 0.069 0.000 2.457 29 Y HA 0.401 4.951 4.550 0.000 0.000 0.343 29 Y C -0.445 175.443 175.900 -0.021 0.000 0.994 29 Y CA -0.924 57.179 58.100 0.005 0.000 1.031 29 Y CB 2.365 40.811 38.460 -0.024 0.000 1.246 29 Y HN -0.418 nan 8.280 nan 0.000 0.449 30 V N 5.270 125.232 119.914 0.080 0.000 2.407 30 V HA 0.409 4.529 4.120 0.000 0.000 0.291 30 V C -0.675 175.402 176.094 -0.028 0.000 1.018 30 V CA -0.711 61.563 62.300 -0.043 0.000 0.842 30 V CB 1.307 33.087 31.823 -0.073 0.000 0.996 30 V HN 0.491 nan 8.190 nan 0.000 0.426 31 I N 5.703 126.236 120.570 -0.062 0.000 2.321 31 I HA 0.367 4.537 4.170 0.000 0.000 0.291 31 I C 0.070 176.142 176.117 -0.075 0.000 0.998 31 I CA -0.682 60.586 61.300 -0.053 0.000 1.227 31 I CB 1.570 39.539 38.000 -0.052 0.000 1.368 31 I HN 0.213 nan 8.210 nan 0.000 0.466 32 V N 5.346 125.226 119.914 -0.056 0.000 2.348 32 V HA 0.716 4.837 4.120 0.000 0.000 0.270 32 V C 0.592 176.663 176.094 -0.038 0.000 1.037 32 V CA -0.283 61.984 62.300 -0.055 0.000 0.872 32 V CB 0.556 32.357 31.823 -0.037 0.000 1.002 32 V HN 1.077 nan 8.190 nan 0.000 0.464 33 G N 3.587 112.362 108.800 -0.043 0.000 3.380 33 G HA2 0.070 4.030 3.960 0.000 0.000 0.685 33 G HA3 0.070 4.030 3.960 0.000 0.000 0.685 33 G C 0.117 175.002 174.900 -0.025 0.000 1.136 33 G CA -0.554 44.533 45.100 -0.023 0.000 1.011 33 G HN 1.246 nan 8.290 nan 0.000 0.471 34 G N 1.029 109.815 108.800 -0.023 0.000 3.717 34 G HA2 0.654 4.614 3.960 0.000 0.000 0.258 34 G HA3 0.654 4.614 3.960 0.000 0.000 0.258 34 G C 0.884 175.781 174.900 -0.005 0.000 1.088 34 G CA 0.865 45.950 45.100 -0.025 0.000 1.737 34 G HN 1.205 nan 8.290 nan 0.000 0.648 35 G N 0.061 108.865 108.800 0.006 0.000 2.782 35 G HA2 0.372 4.332 3.960 0.000 0.000 0.201 35 G HA3 0.372 4.332 3.960 0.000 0.000 0.201 35 G C 1.193 176.117 174.900 0.039 0.000 1.374 35 G CA 0.383 45.500 45.100 0.029 0.000 1.039 35 G HN 0.142 nan 8.290 nan 0.000 0.576 36 T N 0.537 115.130 114.554 0.064 0.000 2.652 36 T HA -0.136 4.214 4.350 0.000 0.000 0.267 36 T C 2.669 177.415 174.700 0.078 0.000 1.039 36 T CA 2.125 64.280 62.100 0.091 0.000 1.153 36 T CB -0.311 68.643 68.868 0.143 0.000 0.863 36 T HN 0.266 nan 8.240 nan 0.000 0.428 37 S N 0.418 116.145 115.700 0.046 0.000 2.421 37 S HA 0.151 4.621 4.470 0.000 0.000 0.224 37 S C 2.454 177.046 174.600 -0.015 0.000 1.035 37 S CA 0.618 58.823 58.200 0.009 0.000 0.953 37 S CB -0.564 62.618 63.200 -0.030 0.000 0.810 37 S HN 0.606 nan 8.310 nan 0.000 0.497 38 G N 0.926 109.719 108.800 -0.013 0.000 2.446 38 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 38 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 38 G C 1.572 176.461 174.900 -0.018 0.000 1.168 38 G CA 1.279 46.365 45.100 -0.024 0.000 0.771 38 G HN 0.548 nan 8.290 nan 0.000 0.551 39 C N 1.418 120.718 119.300 -0.001 0.000 2.436 39 C HA 0.003 4.463 4.460 0.000 0.000 0.277 39 C C 0.851 175.870 174.990 0.049 0.000 1.241 39 C CA 1.478 60.500 59.018 0.006 0.000 1.721 39 C CB -0.849 26.885 27.740 -0.010 0.000 2.043 39 C HN 0.415 nan 8.230 nan 0.000 0.472 40 P HA -0.092 nan 4.420 nan 0.000 0.218 40 P C 1.622 178.919 177.300 -0.005 0.000 1.149 40 P CA 1.249 64.444 63.100 0.157 0.000 0.817 40 P CB -0.217 31.608 31.700 0.208 0.000 0.785 41 L N 0.512 121.703 121.223 -0.052 0.000 2.005 41 L HA -0.032 4.308 4.340 0.000 0.000 0.207 41 L C 2.542 179.348 176.870 -0.108 0.000 1.072 41 L CA 2.198 56.968 54.840 -0.117 0.000 0.744 41 L CB -1.641 40.348 42.059 -0.115 0.000 0.895 41 L HN -0.089 nan 8.230 nan 0.000 0.433 42 A N -0.252 122.531 122.820 -0.061 0.000 1.883 42 A HA -0.128 4.192 4.320 0.000 0.000 0.217 42 A C 2.471 180.037 177.584 -0.030 0.000 1.186 42 A CA 2.097 54.105 52.037 -0.048 0.000 0.624 42 A CB -1.330 17.653 19.000 -0.027 0.000 0.822 42 A HN 0.624 nan 8.150 nan 0.000 0.444 43 A N -1.054 121.778 122.820 0.019 0.000 1.883 43 A HA -0.116 4.204 4.320 0.000 0.000 0.217 43 A C 2.327 179.929 177.584 0.030 0.000 1.186 43 A CA 2.423 54.502 52.037 0.070 0.000 0.624 43 A CB -1.359 17.768 19.000 0.211 0.000 0.822 43 A HN 0.444 nan 8.150 nan 0.000 0.444 44 T N 0.514 115.038 114.554 -0.049 0.000 2.708 44 T HA -0.102 4.248 4.350 0.000 0.000 0.266 44 T C 1.813 176.439 174.700 -0.123 0.000 1.037 44 T CA 1.549 63.560 62.100 -0.148 0.000 1.146 44 T CB -0.420 68.273 68.868 -0.292 0.000 0.865 44 T HN 0.368 nan 8.240 nan 0.000 0.435 45 L N 1.653 122.791 121.223 -0.143 0.000 2.131 45 L HA -0.098 4.243 4.340 0.000 0.000 0.210 45 L C 2.801 179.671 176.870 0.000 0.000 1.092 45 L CA 1.358 56.114 54.840 -0.140 0.000 0.759 45 L CB -0.734 41.138 42.059 -0.311 0.000 0.903 45 L HN 0.379 nan 8.230 nan 0.000 0.435 46 S N -0.951 114.744 115.700 -0.008 0.000 2.507 46 S HA -0.164 4.306 4.470 0.000 0.000 0.235 46 S C 1.543 176.132 174.600 -0.017 0.000 0.988 46 S CA 0.757 58.961 58.200 0.007 0.000 0.944 46 S CB -0.347 62.827 63.200 -0.044 0.000 0.762 46 S HN 0.477 nan 8.310 nan 0.000 0.526 47 E N 1.019 121.203 120.200 -0.028 0.000 2.265 47 E HA -0.060 4.290 4.350 0.000 0.000 0.196 47 E C 1.742 178.287 176.600 -0.093 0.000 0.996 47 E CA 0.938 57.312 56.400 -0.043 0.000 0.832 47 E CB 0.047 29.722 29.700 -0.042 0.000 0.756 47 E HN 0.637 nan 8.360 nan 0.000 0.491 48 K N -1.595 118.721 120.400 -0.140 0.000 2.585 48 K HA 0.137 4.458 4.320 0.000 0.000 0.210 48 K C -0.197 176.089 176.600 -0.523 0.000 1.504 48 K CA 0.069 56.136 56.287 -0.367 0.000 1.029 48 K CB 0.949 33.124 32.500 -0.541 0.000 1.332 48 K HN -0.045 nan 8.250 nan 0.000 0.569 49 Y N 1.269 121.610 120.300 0.069 0.000 2.621 49 Y HA 0.327 4.877 4.550 0.000 0.000 0.334 49 Y C 0.056 176.033 175.900 0.128 0.000 1.074 49 Y CA -1.315 56.864 58.100 0.131 0.000 1.149 49 Y CB 0.876 39.507 38.460 0.286 0.000 1.302 49 Y HN -0.417 nan 8.280 nan 0.000 0.501 50 K N 1.901 122.502 120.400 0.336 0.000 2.349 50 K HA 0.386 4.706 4.320 0.000 0.000 0.289 50 K C -1.051 175.758 176.600 0.348 0.000 1.064 50 K CA -0.141 56.308 56.287 0.271 0.000 0.947 50 K CB 0.731 33.359 32.500 0.212 0.000 1.007 50 K HN 0.384 nan 8.250 nan 0.000 0.478 51 V N 4.114 124.184 119.914 0.259 0.000 2.680 51 V HA 0.418 4.538 4.120 0.000 0.000 0.309 51 V C -0.710 175.379 176.094 -0.009 0.000 1.052 51 V CA -1.158 61.239 62.300 0.161 0.000 0.908 51 V CB 1.974 33.851 31.823 0.091 0.000 1.001 51 V HN 0.537 nan 8.190 nan 0.000 0.431 52 L N 5.363 126.441 121.223 -0.241 0.000 2.356 52 L HA 0.760 5.100 4.340 0.000 0.000 0.277 52 L C -0.760 175.948 176.870 -0.270 0.000 0.996 52 L CA -0.106 54.451 54.840 -0.473 0.000 0.822 52 L CB 1.910 43.238 42.059 -1.218 0.000 1.256 52 L HN 0.447 nan 8.230 nan 0.000 0.413 53 V N 6.378 126.187 119.914 -0.175 0.000 2.398 53 V HA 0.476 4.596 4.120 0.000 0.000 0.286 53 V C -0.154 175.839 176.094 -0.168 0.000 1.026 53 V CA -0.506 61.717 62.300 -0.128 0.000 0.868 53 V CB 1.502 33.291 31.823 -0.057 0.000 0.982 53 V HN 0.600 nan 8.190 nan 0.000 0.443 54 L N 4.310 125.419 121.223 -0.191 0.000 2.294 54 L HA 0.638 4.978 4.340 0.000 0.000 0.283 54 L C -0.379 176.410 176.870 -0.134 0.000 1.015 54 L CA -0.372 54.325 54.840 -0.238 0.000 0.831 54 L CB 1.676 43.522 42.059 -0.356 0.000 1.217 54 L HN 0.631 nan 8.230 nan 0.000 0.420 55 E N 2.621 122.761 120.200 -0.100 0.000 2.187 55 E HA 0.309 4.659 4.350 0.000 0.000 0.268 55 E C 0.684 177.273 176.600 -0.017 0.000 0.896 55 E CA -0.730 55.643 56.400 -0.046 0.000 0.766 55 E CB 1.342 31.022 29.700 -0.033 0.000 1.142 55 E HN 0.515 nan 8.360 nan 0.000 0.408 56 R N 2.678 123.189 120.500 0.017 0.000 2.115 56 R HA 0.179 4.520 4.340 0.000 0.000 0.226 56 R C 0.997 177.363 176.300 0.111 0.000 1.100 56 R CA 0.800 56.937 56.100 0.061 0.000 0.980 56 R CB -0.256 30.078 30.300 0.055 0.000 0.875 56 R HN 0.343 nan 8.270 nan 0.000 0.445 57 G N 0.531 109.380 108.800 0.082 0.000 2.563 57 G HA2 0.322 4.282 3.960 0.000 0.000 0.283 57 G HA3 0.322 4.282 3.960 0.000 0.000 0.283 57 G C -0.747 174.195 174.900 0.069 0.000 1.309 57 G CA -0.693 44.477 45.100 0.116 0.000 1.022 57 G HN 0.222 nan 8.290 nan 0.000 0.501 58 S N -1.521 114.256 115.700 0.128 0.000 2.713 58 S HA 0.448 4.918 4.470 0.000 0.000 0.277 58 S C 0.278 174.895 174.600 0.028 0.000 1.168 58 S CA -0.550 57.655 58.200 0.009 0.000 0.994 58 S CB 0.856 64.291 63.200 0.391 0.000 1.054 58 S HN 0.387 nan 8.310 nan 0.000 0.555 59 L N 1.807 123.033 121.223 0.004 0.000 2.417 59 L HA 0.222 4.562 4.340 0.000 0.000 0.268 59 L C -1.606 175.354 176.870 0.150 0.000 1.158 59 L CA -1.667 53.223 54.840 0.083 0.000 0.819 59 L CB 0.251 42.319 42.059 0.015 0.000 1.112 59 L HN 0.437 nan 8.230 nan 0.000 0.458 60 P HA -0.171 nan 4.420 nan 0.000 0.217 60 P C 1.446 178.815 177.300 0.115 0.000 1.148 60 P CA 1.332 64.571 63.100 0.232 0.000 0.828 60 P CB -0.003 31.901 31.700 0.339 0.000 0.783 61 T N -3.166 111.343 114.554 -0.075 0.000 2.929 61 T HA -0.087 4.263 4.350 0.000 0.000 0.271 61 T C 1.819 176.426 174.700 -0.155 0.000 1.085 61 T CA 1.112 63.067 62.100 -0.242 0.000 1.125 61 T CB -1.038 67.550 68.868 -0.466 0.000 0.874 61 T HN 0.025 nan 8.240 nan 0.000 0.494 62 A N 0.244 123.004 122.820 -0.101 0.000 2.119 62 A HA 0.213 4.533 4.320 0.000 0.000 0.217 62 A C 0.374 177.613 177.584 -0.574 0.000 1.153 62 A CA 0.323 52.193 52.037 -0.278 0.000 0.692 62 A CB -0.478 18.408 19.000 -0.191 0.000 0.799 62 A HN 0.687 nan 8.150 nan 0.000 0.458 63 Y N -1.723 118.586 120.300 0.015 0.000 2.628 63 Y HA 0.329 4.879 4.550 0.000 0.000 0.354 63 Y C -2.106 173.806 175.900 0.019 0.000 1.061 63 Y CA -2.141 55.981 58.100 0.038 0.000 1.251 63 Y CB 0.983 39.486 38.460 0.072 0.000 1.098 63 Y HN 0.089 nan 8.280 nan 0.000 0.626 64 P HA -0.235 nan 4.420 nan 0.000 0.218 64 P C 1.084 178.396 177.300 0.021 0.000 1.152 64 P CA 1.623 64.727 63.100 0.007 0.000 0.857 64 P CB 0.377 32.046 31.700 -0.051 0.000 0.787 65 N N -0.681 118.033 118.700 0.023 0.000 2.573 65 N HA -0.070 4.670 4.740 0.000 0.000 0.187 65 N C 1.321 176.902 175.510 0.118 0.000 1.107 65 N CA 0.978 54.033 53.050 0.009 0.000 0.918 65 N CB -0.237 38.189 38.487 -0.102 0.000 0.966 65 N HN 0.202 nan 8.380 nan 0.000 0.448 66 V N -2.291 117.707 119.914 0.140 0.000 3.623 66 V HA 0.142 4.262 4.120 0.000 0.000 0.271 66 V C 1.511 177.679 176.094 0.122 0.000 1.248 66 V CA 0.615 63.006 62.300 0.152 0.000 1.156 66 V CB -0.520 31.386 31.823 0.139 0.000 0.870 66 V HN 0.086 nan 8.190 nan 0.000 0.453 67 L N 1.717 122.987 121.223 0.077 0.000 2.607 67 L HA 0.315 4.655 4.340 0.000 0.000 0.228 67 L C 0.905 177.821 176.870 0.077 0.000 1.123 67 L CA 0.725 55.580 54.840 0.026 0.000 0.890 67 L CB -0.105 41.948 42.059 -0.011 0.000 1.103 67 L HN 0.650 nan 8.230 nan 0.000 0.468 68 T N -5.644 108.983 114.554 0.121 0.000 2.903 68 T HA 0.582 4.932 4.350 0.000 0.000 0.299 68 T C 0.741 175.489 174.700 0.081 0.000 1.093 68 T CA -0.144 62.011 62.100 0.092 0.000 1.002 68 T CB 2.449 71.325 68.868 0.013 0.000 1.127 68 T HN -0.089 nan 8.240 nan 0.000 0.488 69 A N 0.876 123.585 122.820 -0.186 0.000 1.969 69 A HA -0.002 4.318 4.320 0.000 0.000 0.218 69 A C 1.785 179.257 177.584 -0.186 0.000 1.169 69 A CA 1.535 53.185 52.037 -0.645 0.000 0.635 69 A CB -0.976 17.433 19.000 -0.985 0.000 0.810 69 A HN 0.871 nan 8.150 nan 0.000 0.445 70 D N -0.229 120.118 120.400 -0.088 0.000 2.263 70 D HA -0.070 4.570 4.640 0.000 0.000 0.208 70 D C 1.774 178.108 176.300 0.057 0.000 0.971 70 D CA 1.359 55.352 54.000 -0.011 0.000 0.867 70 D CB -0.382 40.401 40.800 -0.028 0.000 0.929 70 D HN 0.469 nan 8.370 nan 0.000 0.492 71 G N -0.750 108.100 108.800 0.083 0.000 3.042 71 G HA2 -0.101 3.860 3.960 0.000 0.000 0.212 71 G HA3 -0.101 3.860 3.960 0.000 0.000 0.212 71 G C 1.116 176.150 174.900 0.222 0.000 1.166 71 G CA -0.370 44.808 45.100 0.129 0.000 0.767 71 G HN 0.122 nan 8.290 nan 0.000 0.546 72 F N 1.762 121.769 119.950 0.096 0.000 2.043 72 F HA -0.204 4.323 4.527 0.000 0.000 0.297 72 F C 2.478 178.302 175.800 0.040 0.000 1.118 72 F CA 1.851 59.913 58.000 0.102 0.000 1.202 72 F CB -0.506 38.570 39.000 0.127 0.000 0.965 72 F HN 0.015 nan 8.300 nan 0.000 0.482 73 V N -0.366 119.449 119.914 -0.165 0.000 2.407 73 V HA -0.313 3.807 4.120 0.000 0.000 0.248 73 V C 2.130 178.063 176.094 -0.268 0.000 1.055 73 V CA 2.052 64.124 62.300 -0.381 0.000 1.049 73 V CB -1.252 30.461 31.823 -0.183 0.000 0.662 73 V HN 0.585 nan 8.190 nan 0.000 0.455 74 Y N 1.991 122.188 120.300 -0.172 0.000 2.114 74 Y HA -0.342 4.208 4.550 0.000 0.000 0.282 74 Y C 2.337 178.156 175.900 -0.137 0.000 1.165 74 Y CA 2.416 60.445 58.100 -0.119 0.000 1.148 74 Y CB -0.591 37.844 38.460 -0.041 0.000 0.972 74 Y HN 0.398 nan 8.280 nan 0.000 0.504 75 N N 0.000 118.700 118.700 -0.000 0.000 2.104 75 N HA -0.222 4.518 4.740 0.000 0.000 0.190 75 N C 1.727 177.089 175.510 -0.246 0.000 1.024 75 N CA 1.603 54.598 53.050 -0.092 0.000 0.853 75 N CB -0.340 38.134 38.487 -0.021 0.000 1.008 75 N HN 0.353 nan 8.380 nan 0.000 0.424 76 L N 0.673 121.696 121.223 -0.334 0.000 2.217 76 L HA -0.128 4.213 4.340 0.000 0.000 0.211 76 L C 2.026 178.739 176.870 -0.261 0.000 1.107 76 L CA 1.015 55.661 54.840 -0.323 0.000 0.783 76 L CB -0.292 41.485 42.059 -0.471 0.000 0.919 76 L HN 0.256 nan 8.230 nan 0.000 0.442 77 Q N -0.439 119.160 119.800 -0.334 0.000 2.311 77 Q HA -0.090 4.250 4.340 0.000 0.000 0.203 77 Q C 0.896 176.723 176.000 -0.289 0.000 0.954 77 Q CA 0.158 55.784 55.803 -0.295 0.000 0.885 77 Q CB 0.165 28.707 28.738 -0.325 0.000 0.963 77 Q HN 0.431 nan 8.270 nan 0.000 0.471 78 Q N 1.704 121.282 119.800 -0.370 0.000 2.311 78 Q HA -0.050 4.291 4.340 0.000 0.000 0.272 78 Q C -0.606 175.274 176.000 -0.200 0.000 1.012 78 Q CA -0.179 55.432 55.803 -0.319 0.000 0.891 78 Q CB 0.655 29.195 28.738 -0.329 0.000 1.201 78 Q HN 0.018 nan 8.270 nan 0.000 0.391 79 E N 2.755 122.864 120.200 -0.152 0.000 2.413 79 E HA -0.071 4.279 4.350 0.000 0.000 0.263 79 E C -0.751 175.775 176.600 -0.123 0.000 1.015 79 E CA 0.242 56.566 56.400 -0.126 0.000 0.916 79 E CB 0.500 30.150 29.700 -0.084 0.000 0.947 79 E HN 0.543 nan 8.360 nan 0.000 0.440 80 D N 2.405 122.716 120.400 -0.148 0.000 2.374 80 D HA -0.006 4.634 4.640 0.000 0.000 0.240 80 D C 0.038 176.290 176.300 -0.081 0.000 1.229 80 D CA -0.327 53.596 54.000 -0.129 0.000 0.895 80 D CB 0.320 41.017 40.800 -0.172 0.000 1.046 80 D HN 0.263 nan 8.370 nan 0.000 0.498 81 D N 2.249 122.620 120.400 -0.049 0.000 2.368 81 D HA 0.167 4.807 4.640 0.000 0.000 0.218 81 D C 1.415 177.709 176.300 -0.010 0.000 1.112 81 D CA 0.144 54.132 54.000 -0.021 0.000 0.834 81 D CB 0.026 40.829 40.800 0.005 0.000 0.953 81 D HN 0.533 nan 8.370 nan 0.000 0.505 82 G N 0.665 109.453 108.800 -0.020 0.000 2.199 82 G HA2 -0.318 3.643 3.960 0.000 0.000 0.254 82 G HA3 -0.318 3.643 3.960 0.000 0.000 0.254 82 G C 1.176 176.082 174.900 0.011 0.000 0.982 82 G CA 0.450 45.547 45.100 -0.006 0.000 0.632 82 G HN 0.357 nan 8.290 nan 0.000 0.529 83 K N 0.515 120.928 120.400 0.021 0.000 2.435 83 K HA 0.167 4.487 4.320 0.000 0.000 0.199 83 K C 1.418 178.023 176.600 0.008 0.000 1.153 83 K CA 1.022 57.349 56.287 0.067 0.000 0.974 83 K CB -0.105 32.467 32.500 0.120 0.000 0.997 83 K HN 0.693 nan 8.250 nan 0.000 0.547 84 T N 1.631 116.122 114.554 -0.105 0.000 2.906 84 T HA 0.031 4.381 4.350 0.000 0.000 0.320 84 T C -1.516 172.940 174.700 -0.407 0.000 1.088 84 T CA -0.878 60.969 62.100 -0.422 0.000 1.120 84 T CB 0.630 69.341 68.868 -0.261 0.000 1.000 84 T HN -0.070 nan 8.240 nan 0.000 0.550 85 P HA 0.032 nan 4.420 nan 0.000 0.226 85 P C 0.041 177.260 177.300 -0.135 0.000 1.153 85 P CA 0.334 63.265 63.100 -0.281 0.000 0.777 85 P CB 0.108 31.647 31.700 -0.268 0.000 0.794 86 V N 1.532 121.356 119.914 -0.151 0.000 2.313 86 V HA 0.223 4.343 4.120 0.000 0.000 0.278 86 V C 0.312 176.373 176.094 -0.054 0.000 1.017 86 V CA -0.800 61.452 62.300 -0.080 0.000 0.823 86 V CB 1.108 32.864 31.823 -0.112 0.000 1.010 86 V HN 0.013 nan 8.190 nan 0.000 0.443 87 E N 5.753 125.967 120.200 0.023 0.000 2.200 87 E HA 0.405 4.755 4.350 0.000 0.000 0.283 87 E C -0.201 176.470 176.600 0.118 0.000 1.015 87 E CA -0.679 55.751 56.400 0.050 0.000 0.819 87 E CB 0.835 30.589 29.700 0.090 0.000 1.081 87 E HN 0.567 nan 8.360 nan 0.000 0.397 88 R N 3.573 124.074 120.500 0.001 0.000 2.457 88 R HA 0.462 4.802 4.340 0.000 0.000 0.284 88 R C -0.579 175.831 176.300 0.184 0.000 1.024 88 R CA -0.422 55.647 56.100 -0.052 0.000 1.025 88 R CB 0.729 30.611 30.300 -0.697 0.000 1.063 88 R HN 0.482 nan 8.270 nan 0.000 0.493 89 F N -1.979 118.086 119.950 0.192 0.000 2.713 89 F HA 0.610 5.137 4.527 0.000 0.000 0.311 89 F C -1.706 174.269 175.800 0.292 0.000 1.141 89 F CA -1.247 56.853 58.000 0.168 0.000 0.939 89 F CB 1.137 40.191 39.000 0.091 0.000 1.325 89 F HN 0.107 nan 8.300 nan 0.000 0.453 90 V N 2.301 122.450 119.914 0.392 0.000 2.531 90 V HA 0.555 4.675 4.120 0.000 0.000 0.301 90 V C -0.102 176.177 176.094 0.308 0.000 1.034 90 V CA -0.475 61.983 62.300 0.263 0.000 0.865 90 V CB 1.395 33.355 31.823 0.228 0.000 0.995 90 V HN 1.114 nan 8.190 nan 0.000 0.424 91 S N 2.434 118.314 115.700 0.300 0.000 2.600 91 S HA 0.153 4.623 4.470 0.000 0.000 0.265 91 S C 1.002 175.679 174.600 0.128 0.000 1.325 91 S CA 0.158 58.489 58.200 0.219 0.000 1.002 91 S CB 0.924 64.301 63.200 0.295 0.000 0.921 91 S HN 0.875 nan 8.310 nan 0.000 0.554 92 E N 0.399 120.617 120.200 0.030 0.000 2.333 92 E HA -0.181 4.169 4.350 0.000 0.000 0.198 92 E C 0.508 177.148 176.600 0.066 0.000 1.007 92 E CA 1.365 57.781 56.400 0.027 0.000 0.845 92 E CB -0.368 29.315 29.700 -0.029 0.000 0.766 92 E HN 0.837 nan 8.360 nan 0.000 0.507 93 D N -0.998 119.474 120.400 0.121 0.000 2.312 93 D HA 0.036 4.676 4.640 0.000 0.000 0.211 93 D C 1.125 177.525 176.300 0.167 0.000 0.964 93 D CA 0.931 55.041 54.000 0.184 0.000 0.877 93 D CB 0.274 41.301 40.800 0.378 0.000 0.924 93 D HN 0.318 nan 8.370 nan 0.000 0.515 94 G N 0.072 108.963 108.800 0.153 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 -0.097 174.866 174.900 0.106 0.000 0.990 94 G CA -0.553 44.617 45.100 0.117 0.000 0.671 94 G HN 0.185 nan 8.290 nan 0.000 0.521 95 I N 1.804 122.462 120.570 0.147 0.000 2.321 95 I HA 0.327 4.497 4.170 0.000 0.000 0.291 95 I C -0.026 176.113 176.117 0.036 0.000 0.998 95 I CA -1.284 60.062 61.300 0.076 0.000 1.227 95 I CB 0.992 39.039 38.000 0.079 0.000 1.368 95 I HN -0.034 nan 8.210 nan 0.000 0.466 96 D N 5.601 125.943 120.400 -0.096 0.000 2.423 96 D HA 0.193 4.833 4.640 0.000 0.000 0.238 96 D C 0.196 176.336 176.300 -0.266 0.000 1.142 96 D CA 0.598 54.435 54.000 -0.273 0.000 0.884 96 D CB 1.005 41.336 40.800 -0.782 0.000 1.199 96 D HN 0.426 nan 8.370 nan 0.000 0.438 97 N N -0.472 118.030 118.700 -0.330 0.000 3.020 97 N HA 0.539 5.279 4.740 0.000 0.000 0.248 97 N C -1.707 173.566 175.510 -0.394 0.000 1.480 97 N CA -0.537 52.262 53.050 -0.418 0.000 0.874 97 N CB 1.856 39.806 38.487 -0.893 0.000 1.433 97 N HN 0.153 nan 8.380 nan 0.000 0.530 98 V N -1.503 118.342 119.914 -0.115 0.000 3.147 98 V HA 0.877 4.997 4.120 0.000 0.000 0.306 98 V C -1.244 175.148 176.094 0.495 0.000 1.209 98 V CA -0.921 61.485 62.300 0.176 0.000 1.023 98 V CB 2.224 34.097 31.823 0.084 0.000 1.059 98 V HN 0.927 nan 8.190 nan 0.000 0.435 99 R N 1.248 122.026 120.500 0.464 0.000 2.740 99 R HA 0.829 5.169 4.340 0.000 0.000 0.273 99 R C -0.013 176.426 176.300 0.231 0.000 0.998 99 R CA -0.296 56.070 56.100 0.443 0.000 0.900 99 R CB 1.729 32.307 30.300 0.463 0.000 1.223 99 R HN 1.401 nan 8.270 nan 0.000 0.466 100 G N 0.873 109.785 108.800 0.185 0.000 2.527 100 G HA2 0.317 4.277 3.960 0.000 0.000 0.248 100 G HA3 0.317 4.277 3.960 0.000 0.000 0.248 100 G C -0.629 174.321 174.900 0.084 0.000 1.231 100 G CA -0.753 44.411 45.100 0.107 0.000 0.838 100 G HN 0.601 nan 8.290 nan 0.000 0.570 101 R N 0.515 121.041 120.500 0.043 0.000 2.754 101 R HA 0.464 4.805 4.340 0.000 0.000 0.255 101 R C -1.513 174.802 176.300 0.025 0.000 1.723 101 R CA -0.299 55.822 56.100 0.035 0.000 1.596 101 R CB 1.012 31.325 30.300 0.021 0.000 1.424 101 R HN 0.589 nan 8.270 nan 0.000 0.662 102 V N 2.432 122.372 119.914 0.044 0.000 3.234 102 V HA 0.315 4.435 4.120 0.000 0.000 0.280 102 V C -1.707 174.423 176.094 0.060 0.000 1.580 102 V CA -1.059 61.277 62.300 0.059 0.000 1.032 102 V CB 1.982 33.841 31.823 0.060 0.000 1.203 102 V HN 0.458 nan 8.190 nan 0.000 0.459 103 L N 5.175 126.438 121.223 0.066 0.000 2.513 103 L HA 0.658 4.999 4.340 0.000 0.000 0.272 103 L C 1.191 178.101 176.870 0.066 0.000 1.187 103 L CA 2.287 57.157 54.840 0.049 0.000 0.895 103 L CB 0.637 42.732 42.059 0.060 0.000 1.147 103 L HN 1.550 nan 8.230 nan 0.000 0.483 104 G N 2.064 110.886 108.800 0.035 0.000 2.218 104 G HA2 0.040 4.000 3.960 0.000 0.000 0.216 104 G HA3 0.040 4.000 3.960 0.000 0.000 0.216 104 G C 1.013 175.951 174.900 0.063 0.000 0.994 104 G CA 0.135 45.266 45.100 0.051 0.000 0.637 104 G HN 1.805 nan 8.290 nan 0.000 0.505 105 G N -0.687 108.150 108.800 0.061 0.000 2.564 105 G HA2 -0.096 3.864 3.960 0.000 0.000 0.273 105 G HA3 -0.096 3.864 3.960 0.000 0.000 0.273 105 G C 0.956 175.909 174.900 0.088 0.000 1.242 105 G CA 1.179 46.323 45.100 0.072 0.000 0.951 105 G HN 1.330 nan 8.290 nan 0.000 0.564 106 T N 1.136 115.754 114.554 0.106 0.000 3.051 106 T HA 0.060 4.410 4.350 0.000 0.000 0.269 106 T C 2.671 177.438 174.700 0.111 0.000 1.127 106 T CA 2.179 64.350 62.100 0.119 0.000 1.107 106 T CB -0.386 68.572 68.868 0.150 0.000 0.898 106 T HN 1.446 nan 8.240 nan 0.000 0.517 107 S N 1.082 116.844 115.700 0.103 0.000 2.507 107 S HA 0.045 4.516 4.470 0.000 0.000 0.235 107 S C 1.791 176.433 174.600 0.069 0.000 0.988 107 S CA 0.228 58.481 58.200 0.087 0.000 0.944 107 S CB -0.414 62.841 63.200 0.092 0.000 0.762 107 S HN 0.346 nan 8.310 nan 0.000 0.526 108 I N 1.752 122.374 120.570 0.086 0.000 3.419 108 I HA 0.212 4.382 4.170 0.000 0.000 0.286 108 I C 1.680 177.864 176.117 0.112 0.000 1.268 108 I CA 0.698 62.054 61.300 0.093 0.000 1.414 108 I CB -0.368 37.691 38.000 0.098 0.000 1.074 108 I HN 0.564 nan 8.210 nan 0.000 0.457 109 I N -1.755 118.885 120.570 0.118 0.000 4.225 109 I HA 0.216 4.386 4.170 0.000 0.000 0.327 109 I C 0.472 176.733 176.117 0.240 0.000 1.422 109 I CA -0.547 60.846 61.300 0.154 0.000 1.150 109 I CB -0.122 37.919 38.000 0.069 0.000 1.192 109 I HN -0.001 nan 8.210 nan 0.000 0.440 110 N N 2.411 121.223 118.700 0.187 0.000 2.374 110 N HA 0.308 5.049 4.740 0.000 0.000 0.284 110 N C 0.897 176.457 175.510 0.084 0.000 1.280 110 N CA 0.073 53.237 53.050 0.190 0.000 0.963 110 N CB 0.486 39.055 38.487 0.137 0.000 1.141 110 N HN 0.068 nan 8.380 nan 0.000 0.565 111 A N -2.199 120.584 122.820 -0.061 0.000 2.302 111 A HA 0.406 4.726 4.320 0.000 0.000 0.219 111 A C 1.496 179.116 177.584 0.059 0.000 1.243 111 A CA 0.367 52.230 52.037 -0.291 0.000 0.856 111 A CB -1.560 17.298 19.000 -0.237 0.000 0.893 111 A HN 1.336 nan 8.150 nan 0.000 0.491 112 G N -1.130 107.607 108.800 -0.104 0.000 2.228 112 G HA2 -0.280 3.680 3.960 0.000 0.000 0.270 112 G HA3 -0.280 3.680 3.960 0.000 0.000 0.270 112 G C 0.397 175.299 174.900 0.004 0.000 0.976 112 G CA 0.434 45.381 45.100 -0.255 0.000 0.636 112 G HN 0.880 nan 8.290 nan 0.000 0.542 113 V N 0.562 120.502 119.914 0.043 0.000 2.540 113 V HA 0.362 4.482 4.120 0.000 0.000 0.297 113 V C 0.213 176.315 176.094 0.012 0.000 1.024 113 V CA 0.167 62.439 62.300 -0.047 0.000 1.105 113 V CB 0.721 32.277 31.823 -0.446 0.000 0.938 113 V HN 0.351 nan 8.190 nan 0.000 0.482 114 Y N 4.259 124.514 120.300 -0.074 0.000 2.341 114 Y HA 0.709 5.259 4.550 0.000 0.000 0.338 114 Y C -0.021 175.819 175.900 -0.099 0.000 0.965 114 Y CA -0.390 57.675 58.100 -0.059 0.000 1.108 114 Y CB 1.404 39.845 38.460 -0.032 0.000 1.180 114 Y HN 0.784 nan 8.280 nan 0.000 0.458 115 A N 6.501 128.904 122.820 -0.696 0.000 2.515 115 A HA 0.704 5.025 4.320 0.000 0.000 0.298 115 A C -1.255 175.894 177.584 -0.726 0.000 1.059 115 A CA -1.090 50.630 52.037 -0.529 0.000 0.698 115 A CB 1.504 20.342 19.000 -0.270 0.000 1.289 115 A HN 0.850 nan 8.150 nan 0.000 0.404 116 R N 0.612 120.767 120.500 -0.575 0.000 2.500 116 R HA 0.583 4.923 4.340 0.000 0.000 0.275 116 R C 0.500 176.558 176.300 -0.404 0.000 1.051 116 R CA -0.000 55.699 56.100 -0.669 0.000 1.088 116 R CB 1.315 31.139 30.300 -0.793 0.000 1.063 116 R HN 0.905 nan 8.270 nan 0.000 0.511 117 A N 2.095 124.767 122.820 -0.246 0.000 2.425 117 A HA -0.023 4.297 4.320 0.000 0.000 0.242 117 A C 0.256 177.648 177.584 -0.319 0.000 1.077 117 A CA -0.371 51.463 52.037 -0.337 0.000 0.781 117 A CB 0.129 18.891 19.000 -0.396 0.000 1.020 117 A HN 0.742 nan 8.150 nan 0.000 0.494 118 N N 1.163 119.591 118.700 -0.454 0.000 2.414 118 N HA -0.063 4.677 4.740 0.000 0.000 0.268 118 N C 1.469 176.833 175.510 -0.242 0.000 1.286 118 N CA 0.954 53.827 53.050 -0.295 0.000 0.896 118 N CB 0.552 38.815 38.487 -0.373 0.000 1.093 118 N HN 0.715 nan 8.380 nan 0.000 0.480 119 T N 0.199 114.710 114.554 -0.071 0.000 3.025 119 T HA -0.078 4.272 4.350 0.000 0.000 0.270 119 T C 1.325 176.060 174.700 0.058 0.000 1.126 119 T CA 1.040 63.190 62.100 0.083 0.000 1.105 119 T CB -0.092 68.795 68.868 0.032 0.000 0.884 119 T HN 0.350 nan 8.240 nan 0.000 0.522 120 S N 1.040 116.698 115.700 -0.069 0.000 2.548 120 S HA 0.299 4.769 4.470 0.000 0.000 0.215 120 S C 1.774 176.294 174.600 -0.134 0.000 0.976 120 S CA 0.179 58.338 58.200 -0.069 0.000 0.908 120 S CB -0.375 62.782 63.200 -0.073 0.000 0.781 120 S HN 0.826 nan 8.310 nan 0.000 0.519 121 I N -2.315 118.072 120.570 -0.304 0.000 3.030 121 I HA 0.040 4.210 4.170 0.000 0.000 0.270 121 I C 1.605 177.469 176.117 -0.422 0.000 1.211 121 I CA 0.784 61.835 61.300 -0.415 0.000 1.479 121 I CB -0.490 37.128 38.000 -0.637 0.000 1.105 121 I HN 0.075 nan 8.210 nan 0.000 0.447 122 Y N 1.491 121.595 120.300 -0.327 0.000 2.224 122 Y HA -0.209 4.341 4.550 0.000 0.000 0.289 122 Y C 3.206 179.131 175.900 0.041 0.000 1.146 122 Y CA 1.762 59.671 58.100 -0.318 0.000 1.182 122 Y CB -0.790 37.382 38.460 -0.480 0.000 0.983 122 Y HN 0.259 nan 8.280 nan 0.000 0.524 123 S N 0.289 116.087 115.700 0.164 0.000 2.369 123 S HA -0.236 4.235 4.470 0.000 0.000 0.225 123 S C 1.740 176.413 174.600 0.121 0.000 1.043 123 S CA 1.398 59.683 58.200 0.142 0.000 1.074 123 S CB -0.569 62.676 63.200 0.075 0.000 0.962 123 S HN 0.385 nan 8.310 nan 0.000 0.433 124 A N 0.515 123.377 122.820 0.071 0.000 3.003 124 A HA 0.505 4.825 4.320 0.000 0.000 0.301 124 A C 1.368 178.996 177.584 0.073 0.000 1.280 124 A CA 0.427 52.501 52.037 0.062 0.000 0.973 124 A CB -0.206 18.814 19.000 0.034 0.000 1.110 124 A HN 0.581 nan 8.150 nan 0.000 0.590 125 S N -1.859 113.920 115.700 0.130 0.000 2.524 125 S HA 0.387 4.857 4.470 0.000 0.000 0.216 125 S C 1.428 176.172 174.600 0.239 0.000 0.987 125 S CA 0.912 59.219 58.200 0.179 0.000 0.909 125 S CB 0.021 63.349 63.200 0.213 0.000 0.781 125 S HN 1.817 nan 8.310 nan 0.000 0.521 126 G N 0.045 108.930 108.800 0.142 0.000 2.176 126 G HA2 -0.182 3.778 3.960 0.000 0.000 0.232 126 G HA3 -0.182 3.778 3.960 0.000 0.000 0.232 126 G C -0.101 174.792 174.900 -0.013 0.000 0.986 126 G CA -0.059 45.072 45.100 0.052 0.000 0.643 126 G HN 0.780 nan 8.290 nan 0.000 0.522 127 V N 1.233 121.153 119.914 0.011 0.000 2.638 127 V HA 0.474 4.594 4.120 0.000 0.000 0.306 127 V C -1.006 174.946 176.094 -0.235 0.000 1.052 127 V CA -1.149 61.007 62.300 -0.240 0.000 0.885 127 V CB 1.995 33.489 31.823 -0.548 0.000 0.999 127 V HN 0.204 nan 8.190 nan 0.000 0.424 128 D N 3.990 124.281 120.400 -0.182 0.000 2.393 128 D HA 0.194 4.835 4.640 0.000 0.000 0.232 128 D C -0.597 175.676 176.300 -0.045 0.000 1.192 128 D CA -0.013 53.968 54.000 -0.033 0.000 0.882 128 D CB 0.826 41.627 40.800 0.002 0.000 1.038 128 D HN 0.431 nan 8.370 nan 0.000 0.499 129 W N 1.249 122.617 121.300 0.114 0.000 2.238 129 W HA 0.094 4.754 4.660 0.000 0.000 0.321 129 W C 1.068 177.637 176.519 0.084 0.000 1.293 129 W CA -0.655 56.747 57.345 0.096 0.000 1.204 129 W CB 0.643 30.082 29.460 -0.035 0.000 1.167 129 W HN 0.185 nan 8.180 nan 0.000 0.553 130 D N 4.185 124.841 120.400 0.427 0.000 2.468 130 D HA 0.034 4.674 4.640 0.000 0.000 0.218 130 D C 1.047 177.485 176.300 0.231 0.000 1.155 130 D CA -0.038 54.121 54.000 0.265 0.000 0.924 130 D CB 0.707 41.641 40.800 0.223 0.000 1.029 130 D HN 0.207 nan 8.370 nan 0.000 0.515 131 M N 1.884 121.541 119.600 0.095 0.000 2.279 131 M HA -0.119 4.361 4.480 0.000 0.000 0.264 131 M C 1.070 177.373 176.300 0.005 0.000 1.062 131 M CA 0.948 56.230 55.300 -0.030 0.000 1.099 131 M CB -0.456 32.091 32.600 -0.088 0.000 1.394 131 M HN 0.336 nan 8.290 nan 0.000 0.426 132 D N 0.183 120.605 120.400 0.037 0.000 2.117 132 D HA -0.110 4.530 4.640 0.000 0.000 0.198 132 D C 2.073 178.401 176.300 0.047 0.000 0.982 132 D CA 0.880 54.899 54.000 0.033 0.000 0.828 132 D CB -0.241 40.575 40.800 0.026 0.000 0.967 132 D HN 0.241 nan 8.370 nan 0.000 0.464 133 L N 0.773 122.043 121.223 0.078 0.000 2.056 133 L HA -0.111 4.229 4.340 0.000 0.000 0.207 133 L C 2.243 179.189 176.870 0.127 0.000 1.078 133 L CA 1.202 56.090 54.840 0.080 0.000 0.749 133 L CB -0.527 41.571 42.059 0.064 0.000 0.901 133 L HN -0.159 nan 8.230 nan 0.000 0.433 134 V N 0.501 120.513 119.914 0.164 0.000 2.252 134 V HA -0.350 3.770 4.120 0.000 0.000 0.249 134 V C 2.413 178.472 176.094 -0.060 0.000 1.056 134 V CA 2.182 64.471 62.300 -0.020 0.000 1.022 134 V CB -0.894 30.799 31.823 -0.217 0.000 0.641 134 V HN 0.525 nan 8.190 nan 0.000 0.445 135 N N -0.239 118.500 118.700 0.064 0.000 2.188 135 N HA -0.156 4.585 4.740 0.000 0.000 0.184 135 N C 1.906 177.505 175.510 0.148 0.000 1.018 135 N CA 1.218 54.374 53.050 0.177 0.000 0.858 135 N CB -0.352 38.202 38.487 0.112 0.000 0.989 135 N HN 0.595 nan 8.380 nan 0.000 0.426 136 Q N -0.433 119.418 119.800 0.084 0.000 2.124 136 Q HA -0.049 4.291 4.340 0.000 0.000 0.202 136 Q C 1.614 177.675 176.000 0.102 0.000 0.977 136 Q CA 1.517 57.368 55.803 0.080 0.000 0.850 136 Q CB -0.145 28.614 28.738 0.034 0.000 0.901 136 Q HN 0.361 nan 8.270 nan 0.000 0.429 137 T N -0.082 114.496 114.554 0.041 0.000 2.812 137 T HA -0.127 4.223 4.350 0.000 0.000 0.264 137 T C 1.410 176.202 174.700 0.152 0.000 1.042 137 T CA 0.986 63.091 62.100 0.009 0.000 1.140 137 T CB -0.372 68.431 68.868 -0.109 0.000 0.870 137 T HN 0.340 nan 8.240 nan 0.000 0.445 138 Y N 1.642 122.021 120.300 0.132 0.000 2.128 138 Y HA -0.169 4.381 4.550 0.000 0.000 0.284 138 Y C 2.668 178.652 175.900 0.141 0.000 1.154 138 Y CA 1.069 59.260 58.100 0.152 0.000 1.149 138 Y CB -0.139 38.389 38.460 0.115 0.000 0.976 138 Y HN 0.314 nan 8.280 nan 0.000 0.505 139 E N -1.072 119.297 120.200 0.283 0.000 2.110 139 E HA -0.282 4.068 4.350 0.000 0.000 0.193 139 E C 1.761 178.461 176.600 0.167 0.000 0.988 139 E CA 1.326 57.826 56.400 0.167 0.000 0.804 139 E CB -0.434 29.344 29.700 0.129 0.000 0.745 139 E HN 0.584 nan 8.360 nan 0.000 0.458 140 W N 0.967 122.274 121.300 0.012 0.000 2.335 140 W HA -0.235 4.425 4.660 0.000 0.000 0.311 140 W C 1.982 178.480 176.519 -0.034 0.000 1.213 140 W CA 1.399 58.734 57.345 -0.016 0.000 1.274 140 W CB -0.196 29.256 29.460 -0.014 0.000 1.148 140 W HN -0.175 nan 8.180 nan 0.000 0.498 141 V N 0.753 120.856 119.914 0.316 0.000 2.323 141 V HA -0.278 3.842 4.120 0.000 0.000 0.244 141 V C 2.033 178.046 176.094 -0.134 0.000 1.041 141 V CA 2.388 64.752 62.300 0.107 0.000 1.025 141 V CB -0.992 30.998 31.823 0.279 0.000 0.656 141 V HN 0.160 nan 8.190 nan 0.000 0.451 142 E N 0.074 120.201 120.200 -0.121 0.000 2.110 142 E HA -0.229 4.121 4.350 0.000 0.000 0.193 142 E C 1.773 178.175 176.600 -0.330 0.000 0.988 142 E CA 1.386 57.599 56.400 -0.311 0.000 0.804 142 E CB -0.181 29.386 29.700 -0.221 0.000 0.745 142 E HN 0.563 nan 8.360 nan 0.000 0.458 143 D N -0.461 119.794 120.400 -0.241 0.000 2.348 143 D HA -0.049 4.592 4.640 0.000 0.000 0.216 143 D C 1.332 177.431 176.300 -0.336 0.000 0.970 143 D CA 0.898 54.743 54.000 -0.257 0.000 0.889 143 D CB 0.153 40.846 40.800 -0.180 0.000 0.912 143 D HN 0.145 nan 8.370 nan 0.000 0.524 144 T N -0.065 114.256 114.554 -0.388 0.000 3.046 144 T HA 0.140 4.490 4.350 0.000 0.000 0.242 144 T C 1.750 176.211 174.700 -0.398 0.000 1.018 144 T CA 0.083 61.947 62.100 -0.393 0.000 1.131 144 T CB 0.634 69.227 68.868 -0.458 0.000 0.904 144 T HN 0.264 nan 8.240 nan 0.000 0.459 145 I N -1.276 119.044 120.570 -0.415 0.000 3.994 145 I HA 0.509 4.679 4.170 0.000 0.000 0.323 145 I C -0.851 174.993 176.117 -0.455 0.000 1.501 145 I CA -0.516 60.586 61.300 -0.331 0.000 1.112 145 I CB 0.769 38.717 38.000 -0.086 0.000 1.254 145 I HN -0.179 nan 8.210 nan 0.000 0.495 146 V N 1.672 121.112 119.914 -0.789 0.000 2.513 146 V HA 0.521 4.641 4.120 0.000 0.000 0.299 146 V C -0.986 174.583 176.094 -0.875 0.000 1.035 146 V CA -0.359 61.528 62.300 -0.689 0.000 0.889 146 V CB 1.454 32.786 31.823 -0.819 0.000 0.988 146 V HN 0.167 nan 8.190 nan 0.000 0.440 147 Y N 1.688 121.935 120.300 -0.088 0.000 2.499 147 Y HA 0.500 5.050 4.550 0.000 0.000 0.347 147 Y C 0.126 176.047 175.900 0.034 0.000 0.987 147 Y CA -1.214 56.864 58.100 -0.036 0.000 1.044 147 Y CB 1.652 40.099 38.460 -0.022 0.000 1.245 147 Y HN 0.488 nan 8.280 nan 0.000 0.461 148 K N 5.380 125.833 120.400 0.089 0.000 2.349 148 K HA 0.267 4.587 4.320 0.000 0.000 0.288 148 K C -2.523 174.059 176.600 -0.029 0.000 1.058 148 K CA -1.660 54.547 56.287 -0.134 0.000 0.953 148 K CB 0.429 32.623 32.500 -0.510 0.000 0.997 148 K HN 0.388 nan 8.250 nan 0.000 0.477 149 P HA 0.007 nan 4.420 nan 0.000 0.272 149 P C -0.943 176.362 177.300 0.009 0.000 1.240 149 P CA -0.130 63.013 63.100 0.072 0.000 0.791 149 P CB 0.651 32.433 31.700 0.136 0.000 0.978 150 N N -0.659 118.056 118.700 0.025 0.000 2.467 150 N HA 0.163 4.904 4.740 0.000 0.000 0.262 150 N C 0.298 175.820 175.510 0.020 0.000 1.234 150 N CA -0.439 52.615 53.050 0.008 0.000 0.952 150 N CB 0.326 38.819 38.487 0.011 0.000 1.158 150 N HN 0.444 nan 8.380 nan 0.000 0.463 151 S N 0.470 116.178 115.700 0.013 0.000 2.565 151 S HA 0.166 4.636 4.470 0.000 0.000 0.276 151 S C -0.587 174.034 174.600 0.036 0.000 1.326 151 S CA -0.573 57.643 58.200 0.026 0.000 1.045 151 S CB 0.787 63.998 63.200 0.019 0.000 0.918 151 S HN 0.467 nan 8.310 nan 0.000 0.505 152 Q N 1.673 121.502 119.800 0.048 0.000 2.323 152 Q HA 0.382 4.722 4.340 0.000 0.000 0.271 152 Q C 0.606 176.647 176.000 0.069 0.000 1.048 152 Q CA -0.693 55.146 55.803 0.059 0.000 0.792 152 Q CB 1.923 30.703 28.738 0.070 0.000 1.280 152 Q HN 0.761 nan 8.270 nan 0.000 0.441 153 S N 2.660 118.412 115.700 0.085 0.000 2.368 153 S HA -0.193 4.277 4.470 0.000 0.000 0.226 153 S C 1.132 175.800 174.600 0.113 0.000 1.044 153 S CA 1.607 59.870 58.200 0.104 0.000 1.062 153 S CB -0.065 63.217 63.200 0.136 0.000 0.931 153 S HN 0.856 nan 8.310 nan 0.000 0.440 154 W N 1.360 122.640 121.300 -0.033 0.000 2.363 154 W HA -0.110 4.550 4.660 0.000 0.000 0.296 154 W C 2.117 178.602 176.519 -0.057 0.000 1.212 154 W CA 1.264 58.558 57.345 -0.086 0.000 1.260 154 W CB -0.310 29.058 29.460 -0.153 0.000 1.131 154 W HN 0.428 nan 8.180 nan 0.000 0.530 155 Q N 0.084 119.858 119.800 -0.043 0.000 2.119 155 Q HA -0.129 4.211 4.340 0.000 0.000 0.201 155 Q C 2.228 178.164 176.000 -0.108 0.000 0.972 155 Q CA 1.703 57.462 55.803 -0.074 0.000 0.847 155 Q CB -0.885 27.887 28.738 0.057 0.000 0.903 155 Q HN 0.192 nan 8.270 nan 0.000 0.433 156 S N 0.378 116.037 115.700 -0.069 0.000 2.383 156 S HA -0.080 4.390 4.470 0.000 0.000 0.227 156 S C 2.178 176.711 174.600 -0.112 0.000 1.026 156 S CA 0.932 59.105 58.200 -0.044 0.000 0.981 156 S CB -0.119 63.080 63.200 -0.001 0.000 0.818 156 S HN 0.136 nan 8.310 nan 0.000 0.472 157 V N 1.704 121.472 119.914 -0.242 0.000 2.343 157 V HA -0.175 3.945 4.120 0.000 0.000 0.247 157 V C 2.500 178.354 176.094 -0.401 0.000 1.051 157 V CA 2.062 64.163 62.300 -0.331 0.000 1.036 157 V CB -1.319 30.149 31.823 -0.593 0.000 0.654 157 V HN 0.496 nan 8.190 nan 0.000 0.451 158 T N -0.327 113.888 114.554 -0.565 0.000 2.746 158 T HA -0.255 4.095 4.350 0.000 0.000 0.267 158 T C 1.941 176.562 174.700 -0.133 0.000 1.039 158 T CA 1.898 63.746 62.100 -0.419 0.000 1.142 158 T CB -0.221 68.414 68.868 -0.389 0.000 0.866 158 T HN 0.500 nan 8.240 nan 0.000 0.444 159 K N 0.858 121.264 120.400 0.011 0.000 2.057 159 K HA -0.165 4.155 4.320 0.000 0.000 0.207 159 K C 2.497 179.170 176.600 0.123 0.000 1.049 159 K CA 1.849 58.234 56.287 0.163 0.000 0.931 159 K CB -0.337 32.230 32.500 0.110 0.000 0.714 159 K HN 0.510 nan 8.250 nan 0.000 0.440 160 T N -1.652 112.920 114.554 0.030 0.000 2.821 160 T HA -0.020 4.330 4.350 0.000 0.000 0.267 160 T C 2.017 176.741 174.700 0.040 0.000 1.046 160 T CA 0.983 63.106 62.100 0.039 0.000 1.139 160 T CB -0.382 68.495 68.868 0.016 0.000 0.871 160 T HN 0.266 nan 8.240 nan 0.000 0.454 161 A N 0.864 123.664 122.820 -0.034 0.000 1.877 161 A HA 0.143 4.463 4.320 0.000 0.000 0.216 161 A C 2.120 179.699 177.584 -0.008 0.000 1.186 161 A CA 1.190 53.186 52.037 -0.069 0.000 0.620 161 A CB -1.221 17.666 19.000 -0.188 0.000 0.822 161 A HN 0.550 nan 8.150 nan 0.000 0.443 162 F N 0.026 120.015 119.950 0.065 0.000 2.095 162 F HA -0.182 4.345 4.527 0.000 0.000 0.298 162 F C 2.186 178.033 175.800 0.078 0.000 1.104 162 F CA 1.196 59.241 58.000 0.075 0.000 1.232 162 F CB -0.228 38.825 39.000 0.088 0.000 0.987 162 F HN 0.120 nan 8.300 nan 0.000 0.475 163 L N -0.395 121.011 121.223 0.306 0.000 2.093 163 L HA -0.200 4.140 4.340 0.000 0.000 0.208 163 L C 2.322 179.370 176.870 0.297 0.000 1.085 163 L CA 1.305 56.331 54.840 0.309 0.000 0.755 163 L CB -0.600 41.578 42.059 0.199 0.000 0.904 163 L HN 0.184 nan 8.230 nan 0.000 0.435 164 E N 0.453 120.756 120.200 0.170 0.000 2.208 164 E HA -0.146 4.204 4.350 0.000 0.000 0.193 164 E C 1.798 178.450 176.600 0.088 0.000 0.988 164 E CA 0.828 57.300 56.400 0.121 0.000 0.828 164 E CB 0.110 29.854 29.700 0.073 0.000 0.763 164 E HN 0.443 nan 8.360 nan 0.000 0.478 165 A N -0.165 122.701 122.820 0.077 0.000 2.327 165 A HA 0.308 4.629 4.320 0.000 0.000 0.228 165 A C 1.366 178.921 177.584 -0.048 0.000 1.275 165 A CA 0.683 52.741 52.037 0.035 0.000 0.875 165 A CB -0.328 18.711 19.000 0.065 0.000 0.925 165 A HN 0.360 nan 8.150 nan 0.000 0.493 166 G N -1.446 107.226 108.800 -0.213 0.000 2.143 166 G HA2 -0.216 3.744 3.960 0.000 0.000 0.248 166 G HA3 -0.216 3.744 3.960 0.000 0.000 0.248 166 G C 0.197 174.681 174.900 -0.693 0.000 0.991 166 G CA 0.193 44.883 45.100 -0.683 0.000 0.689 166 G HN 0.820 nan 8.290 nan 0.000 0.522 167 V N 2.174 121.908 119.914 -0.301 0.000 2.223 167 V HA 0.338 4.458 4.120 0.000 0.000 0.249 167 V C 0.708 176.805 176.094 0.005 0.000 1.233 167 V CA -0.087 62.150 62.300 -0.104 0.000 1.131 167 V CB -0.626 31.210 31.823 0.022 0.000 1.298 167 V HN 0.506 nan 8.190 nan 0.000 0.498 168 H N 4.735 123.787 119.070 -0.031 0.000 2.651 168 H HA 0.548 5.104 4.556 0.000 0.000 0.353 168 H C -2.160 173.110 175.328 -0.096 0.000 1.178 168 H CA -2.210 53.798 56.048 -0.067 0.000 1.224 168 H CB 2.327 32.058 29.762 -0.052 0.000 1.702 168 H HN 0.359 nan 8.280 nan 0.000 0.550 169 P HA 0.035 nan 4.420 nan 0.000 0.306 169 P C -0.738 176.391 177.300 -0.284 0.000 1.309 169 P CA -0.559 62.445 63.100 -0.161 0.000 0.759 169 P CB 0.956 32.498 31.700 -0.263 0.000 1.314 170 N N -0.636 117.891 118.700 -0.288 0.000 2.438 170 N HA 0.083 4.823 4.740 0.000 0.000 0.282 170 N C 0.430 175.743 175.510 -0.327 0.000 1.037 170 N CA -0.069 52.857 53.050 -0.208 0.000 0.942 170 N CB 0.057 38.481 38.487 -0.103 0.000 1.136 170 N HN 0.282 nan 8.380 nan 0.000 0.481 171 H N 2.469 121.518 119.070 -0.035 0.000 2.652 171 H HA 0.232 4.789 4.556 0.000 0.000 0.274 171 H C 1.285 176.599 175.328 -0.022 0.000 1.021 171 H CA 0.410 56.430 56.048 -0.048 0.000 1.187 171 H CB 0.301 30.010 29.762 -0.089 0.000 1.505 171 H HN 0.790 nan 8.280 nan 0.000 0.530 172 G N 1.926 110.778 108.800 0.088 0.000 2.583 172 G HA2 -0.340 3.621 3.960 0.000 0.000 0.292 172 G HA3 -0.340 3.621 3.960 0.000 0.000 0.292 172 G C -0.253 174.742 174.900 0.159 0.000 1.203 172 G CA 0.300 45.467 45.100 0.110 0.000 0.987 172 G HN 0.353 nan 8.290 nan 0.000 0.554 173 F N 2.367 122.337 119.950 0.033 0.000 2.405 173 F HA 0.698 5.225 4.527 0.001 0.000 0.355 173 F C 0.328 176.137 175.800 0.014 0.000 1.121 173 F CA 0.075 58.089 58.000 0.024 0.000 1.112 173 F CB 1.657 40.668 39.000 0.018 0.000 1.126 173 F HN 0.848 nan 8.300 nan 0.000 0.481 174 S N 5.821 121.093 115.700 -0.714 0.000 2.535 174 S HA 0.436 4.907 4.470 0.000 0.000 0.272 174 S C -0.006 174.231 174.600 -0.604 0.000 1.149 174 S CA -0.784 57.061 58.200 -0.592 0.000 0.888 174 S CB 1.036 64.060 63.200 -0.293 0.000 1.110 174 S HN 0.746 nan 8.310 nan 0.000 0.463 175 L N 1.679 122.617 121.223 -0.476 0.000 2.509 175 L HA 0.276 4.616 4.340 0.000 0.000 0.222 175 L C 0.182 176.877 176.870 -0.291 0.000 1.123 175 L CA 0.231 54.883 54.840 -0.313 0.000 0.856 175 L CB -0.121 41.837 42.059 -0.168 0.000 0.985 175 L HN 0.565 nan 8.230 nan 0.000 0.456 176 D N 0.051 120.266 120.400 -0.307 0.000 2.350 176 D HA 0.020 4.660 4.640 0.000 0.000 0.249 176 D C -0.175 175.940 176.300 -0.308 0.000 1.119 176 D CA 0.050 53.873 54.000 -0.294 0.000 0.886 176 D CB 0.979 41.616 40.800 -0.271 0.000 1.195 176 D HN 0.050 nan 8.370 nan 0.000 0.437 177 H N 2.138 120.997 119.070 -0.351 0.000 3.157 177 H HA 0.154 4.710 4.556 0.000 0.000 0.260 177 H C -0.598 174.529 175.328 -0.334 0.000 1.232 177 H CA 0.336 56.170 56.048 -0.357 0.000 1.488 177 H CB 0.130 29.657 29.762 -0.392 0.000 1.548 177 H HN 0.234 nan 8.280 nan 0.000 0.487 178 E N 3.291 123.125 120.200 -0.610 0.000 2.340 178 E HA 0.107 4.457 4.350 0.000 0.000 0.273 178 E C -0.834 175.525 176.600 -0.402 0.000 0.891 178 E CA -1.134 54.977 56.400 -0.482 0.000 0.757 178 E CB 1.997 31.357 29.700 -0.567 0.000 1.231 178 E HN 0.657 nan 8.360 nan 0.000 0.439 179 E N 1.071 121.139 120.200 -0.220 0.000 2.452 179 E HA 0.252 4.603 4.350 0.000 0.000 0.261 179 E C 0.114 176.734 176.600 0.034 0.000 0.987 179 E CA 0.834 57.154 56.400 -0.133 0.000 0.926 179 E CB 0.312 29.954 29.700 -0.096 0.000 0.934 179 E HN 0.709 nan 8.360 nan 0.000 0.452 180 G N 2.550 111.330 108.800 -0.033 0.000 2.331 180 G HA2 -0.112 3.848 3.960 0.000 0.000 0.479 180 G HA3 -0.112 3.848 3.960 0.000 0.000 0.479 180 G C -0.819 174.068 174.900 -0.021 0.000 1.262 180 G CA -0.402 44.710 45.100 0.020 0.000 1.029 180 G HN 0.572 nan 8.290 nan 0.000 0.487 181 T N 0.871 115.433 114.554 0.014 0.000 2.859 181 T HA 0.788 5.138 4.350 0.000 0.000 0.281 181 T C 0.357 175.095 174.700 0.064 0.000 1.005 181 T CA 0.081 62.166 62.100 -0.025 0.000 1.025 181 T CB 1.447 70.339 68.868 0.040 0.000 0.977 181 T HN 1.028 nan 8.240 nan 0.000 0.458 182 R N 1.314 121.831 120.500 0.028 0.000 2.728 182 R HA 0.616 4.957 4.340 0.000 0.000 0.274 182 R C -1.960 174.369 176.300 0.048 0.000 1.030 182 R CA -0.975 55.156 56.100 0.052 0.000 0.876 182 R CB 0.924 31.230 30.300 0.010 0.000 1.259 182 R HN 0.497 nan 8.270 nan 0.000 0.468 183 I N 1.519 122.139 120.570 0.083 0.000 2.362 183 I HA 0.285 4.456 4.170 0.000 0.000 0.289 183 I C 0.051 176.223 176.117 0.091 0.000 0.994 183 I CA -0.645 60.746 61.300 0.153 0.000 1.158 183 I CB 2.030 40.188 38.000 0.264 0.000 1.315 183 I HN 0.702 nan 8.210 nan 0.000 0.451 184 T N 3.899 118.485 114.554 0.053 0.000 2.889 184 T HA 0.610 4.961 4.350 0.000 0.000 0.278 184 T C 0.352 175.158 174.700 0.177 0.000 0.995 184 T CA -0.348 61.716 62.100 -0.061 0.000 0.966 184 T CB 1.495 70.309 68.868 -0.090 0.000 1.237 184 T HN 0.686 nan 8.240 nan 0.000 0.591 185 G N 0.397 109.291 108.800 0.157 0.000 2.580 185 G HA2 0.507 4.468 3.960 0.000 0.000 0.278 185 G HA3 0.507 4.468 3.960 0.000 0.000 0.278 185 G C -0.773 174.276 174.900 0.247 0.000 1.212 185 G CA -0.298 44.978 45.100 0.294 0.000 0.939 185 G HN 0.704 nan 8.290 nan 0.000 0.513 186 S N -2.361 113.483 115.700 0.240 0.000 2.564 186 S HA 0.513 4.984 4.470 0.000 0.000 0.274 186 S C 0.877 175.614 174.600 0.229 0.000 1.124 186 S CA 0.098 58.437 58.200 0.232 0.000 0.869 186 S CB 1.512 64.883 63.200 0.285 0.000 1.105 186 S HN 0.928 nan 8.310 nan 0.000 0.472 187 T N 0.660 115.276 114.554 0.103 0.000 3.129 187 T HA 0.348 4.698 4.350 0.000 0.000 0.251 187 T C 0.124 174.883 174.700 0.097 0.000 1.117 187 T CA 0.121 62.281 62.100 0.101 0.000 1.034 187 T CB -0.660 68.191 68.868 -0.028 0.000 0.968 187 T HN 0.408 nan 8.240 nan 0.000 0.526 188 F N 3.400 123.471 119.950 0.202 0.000 2.408 188 F HA 0.434 4.962 4.527 0.000 0.000 0.344 188 F C 0.724 176.502 175.800 -0.038 0.000 1.112 188 F CA -1.521 56.528 58.000 0.083 0.000 1.096 188 F CB 0.932 39.964 39.000 0.053 0.000 1.129 188 F HN 0.137 nan 8.300 nan 0.000 0.486 189 D N 1.109 121.455 120.400 -0.091 0.000 2.478 189 D HA 0.032 4.672 4.640 0.000 0.000 0.269 189 D C 0.533 176.754 176.300 -0.133 0.000 1.232 189 D CA -0.533 53.163 54.000 -0.506 0.000 1.059 189 D CB 0.358 40.573 40.800 -0.974 0.000 1.104 189 D HN 0.385 nan 8.370 nan 0.000 0.566 190 N N -0.661 117.968 118.700 -0.119 0.000 2.585 190 N HA -0.098 4.642 4.740 0.000 0.000 0.188 190 N C 0.682 176.174 175.510 -0.032 0.000 1.102 190 N CA 0.577 53.605 53.050 -0.037 0.000 0.920 190 N CB 0.198 38.673 38.487 -0.020 0.000 0.963 190 N HN 0.426 nan 8.380 nan 0.000 0.447 191 K N -0.317 120.059 120.400 -0.041 0.000 2.358 191 K HA 0.132 4.453 4.320 0.000 0.000 0.200 191 K C 0.766 177.350 176.600 -0.026 0.000 1.030 191 K CA 0.095 56.366 56.287 -0.026 0.000 1.097 191 K CB 0.945 33.434 32.500 -0.018 0.000 0.862 191 K HN 0.137 nan 8.250 nan 0.000 0.534 192 G N 1.569 110.354 108.800 -0.025 0.000 2.176 192 G HA2 -0.227 3.733 3.960 0.000 0.000 0.253 192 G HA3 -0.227 3.733 3.960 0.000 0.000 0.253 192 G C 0.208 175.121 174.900 0.022 0.000 0.979 192 G CA 0.171 45.248 45.100 -0.038 0.000 0.641 192 G HN 0.255 nan 8.290 nan 0.000 0.530 193 T N 1.350 115.920 114.554 0.027 0.000 2.851 193 T HA 0.420 4.770 4.350 0.000 0.000 0.298 193 T C 0.665 175.393 174.700 0.047 0.000 0.977 193 T CA -0.071 62.028 62.100 -0.001 0.000 1.126 193 T CB 1.234 70.052 68.868 -0.083 0.000 0.916 193 T HN 0.490 nan 8.240 nan 0.000 0.529 194 R N 2.944 123.509 120.500 0.109 0.000 2.308 194 R HA 0.186 4.526 4.340 0.000 0.000 0.305 194 R C -0.565 175.684 176.300 -0.085 0.000 1.053 194 R CA -0.415 55.770 56.100 0.141 0.000 0.957 194 R CB 0.381 30.817 30.300 0.227 0.000 1.022 194 R HN 0.695 nan 8.270 nan 0.000 0.461 195 H N 1.397 120.543 119.070 0.126 0.000 2.569 195 H HA 0.692 5.248 4.556 0.000 0.000 0.357 195 H C -0.633 174.736 175.328 0.069 0.000 1.153 195 H CA -0.403 55.710 56.048 0.109 0.000 1.193 195 H CB 2.179 32.020 29.762 0.131 0.000 1.602 195 H HN 0.795 nan 8.280 nan 0.000 0.523 196 A N 0.558 123.475 122.820 0.162 0.000 2.534 196 A HA 0.591 4.912 4.320 0.000 0.000 0.300 196 A C 0.737 178.358 177.584 0.063 0.000 1.223 196 A CA 0.051 52.156 52.037 0.114 0.000 0.666 196 A CB 0.125 19.210 19.000 0.143 0.000 1.316 196 A HN 0.642 nan 8.150 nan 0.000 0.468 197 A N 0.145 123.004 122.820 0.065 0.000 1.978 197 A HA -0.155 4.165 4.320 0.000 0.000 0.220 197 A C 1.541 179.119 177.584 -0.009 0.000 1.170 197 A CA 2.430 54.493 52.037 0.044 0.000 0.636 197 A CB -0.944 18.092 19.000 0.060 0.000 0.810 197 A HN 0.966 nan 8.150 nan 0.000 0.448 198 D N 0.034 120.424 120.400 -0.017 0.000 2.182 198 D HA -0.220 4.420 4.640 0.000 0.000 0.201 198 D C 1.415 177.584 176.300 -0.217 0.000 0.986 198 D CA 1.545 55.448 54.000 -0.162 0.000 0.847 198 D CB -0.690 40.084 40.800 -0.044 0.000 0.942 198 D HN 0.654 nan 8.370 nan 0.000 0.467 199 E N 0.066 120.209 120.200 -0.094 0.000 2.268 199 E HA 0.006 4.357 4.350 0.000 0.000 0.195 199 E C 2.245 178.791 176.600 -0.089 0.000 0.995 199 E CA 0.110 56.449 56.400 -0.101 0.000 0.836 199 E CB -0.036 29.528 29.700 -0.227 0.000 0.763 199 E HN 0.368 nan 8.360 nan 0.000 0.491 200 L N 0.599 121.770 121.223 -0.087 0.000 2.456 200 L HA -0.122 4.218 4.340 0.000 0.000 0.224 200 L C 2.047 178.939 176.870 0.037 0.000 1.148 200 L CA 0.410 55.205 54.840 -0.075 0.000 0.825 200 L CB -0.257 41.831 42.059 0.048 0.000 0.937 200 L HN 0.208 nan 8.230 nan 0.000 0.450 201 L N -0.282 120.948 121.223 0.011 0.000 2.201 201 L HA -0.168 4.172 4.340 0.000 0.000 0.212 201 L C 2.085 179.106 176.870 0.251 0.000 1.105 201 L CA 0.728 55.629 54.840 0.102 0.000 0.775 201 L CB -0.543 41.486 42.059 -0.051 0.000 0.913 201 L HN 0.389 nan 8.230 nan 0.000 0.440 202 N N 0.089 118.903 118.700 0.189 0.000 2.453 202 N HA -0.118 4.623 4.740 0.000 0.000 0.183 202 N C 1.476 177.059 175.510 0.120 0.000 1.041 202 N CA 0.815 53.984 53.050 0.198 0.000 0.900 202 N CB -0.010 38.538 38.487 0.102 0.000 0.961 202 N HN 0.326 nan 8.380 nan 0.000 0.443 203 K N 0.638 121.081 120.400 0.073 0.000 2.418 203 K HA 0.089 4.409 4.320 0.000 0.000 0.195 203 K C 1.280 177.994 176.600 0.191 0.000 1.035 203 K CA -0.019 56.322 56.287 0.090 0.000 1.003 203 K CB -0.142 32.380 32.500 0.035 0.000 0.793 203 K HN 0.099 nan 8.250 nan 0.000 0.494 204 G N 1.337 110.236 108.800 0.166 0.000 2.563 204 G HA2 0.001 3.961 3.960 0.000 0.000 0.283 204 G HA3 0.001 3.961 3.960 0.000 0.000 0.283 204 G C -0.370 174.552 174.900 0.038 0.000 1.309 204 G CA -0.478 44.678 45.100 0.092 0.000 1.022 204 G HN 0.101 nan 8.290 nan 0.000 0.501 205 N N -0.338 118.343 118.700 -0.032 0.000 2.420 205 N HA 0.052 4.792 4.740 0.000 0.000 0.249 205 N C 1.636 177.060 175.510 -0.143 0.000 1.033 205 N CA 0.188 53.212 53.050 -0.043 0.000 0.944 205 N CB 1.385 39.849 38.487 -0.038 0.000 1.113 205 N HN 0.350 nan 8.380 nan 0.000 0.502 206 S N 2.413 118.075 115.700 -0.064 0.000 2.493 206 S HA -0.127 4.343 4.470 0.000 0.000 0.243 206 S C 1.236 175.795 174.600 -0.067 0.000 0.991 206 S CA 0.736 58.887 58.200 -0.082 0.000 0.957 206 S CB -0.151 63.208 63.200 0.266 0.000 0.756 206 S HN 0.737 nan 8.310 nan 0.000 0.521 207 N N 0.831 119.510 118.700 -0.034 0.000 2.373 207 N HA 0.083 4.823 4.740 0.000 0.000 0.181 207 N C 0.464 175.969 175.510 -0.009 0.000 1.082 207 N CA 0.339 53.394 53.050 0.008 0.000 0.885 207 N CB 0.062 38.563 38.487 0.023 0.000 0.977 207 N HN 0.373 nan 8.380 nan 0.000 0.462 208 N N 0.249 118.913 118.700 -0.061 0.000 2.273 208 N HA 0.069 4.809 4.740 0.000 0.000 0.192 208 N C -0.479 175.005 175.510 -0.043 0.000 1.132 208 N CA -0.114 52.925 53.050 -0.019 0.000 0.887 208 N CB 0.955 39.439 38.487 -0.005 0.000 1.048 208 N HN 0.128 nan 8.380 nan 0.000 0.490 209 L N 1.812 122.893 121.223 -0.236 0.000 2.295 209 L HA 0.420 4.761 4.340 0.000 0.000 0.285 209 L C -0.510 176.181 176.870 -0.298 0.000 1.035 209 L CA -0.327 54.319 54.840 -0.324 0.000 0.806 209 L CB 0.815 42.542 42.059 -0.553 0.000 1.214 209 L HN -0.104 nan 8.230 nan 0.000 0.426 210 R N 4.065 124.573 120.500 0.014 0.000 2.621 210 R HA 0.739 5.079 4.340 0.000 0.000 0.292 210 R C -1.580 174.853 176.300 0.223 0.000 0.969 210 R CA -0.947 55.308 56.100 0.258 0.000 0.887 210 R CB 2.314 32.790 30.300 0.293 0.000 1.180 210 R HN 0.421 nan 8.270 nan 0.000 0.450 211 V N 1.356 121.484 119.914 0.357 0.000 2.487 211 V HA 0.577 4.697 4.120 0.000 0.000 0.298 211 V C 0.199 176.386 176.094 0.156 0.000 1.028 211 V CA -0.790 61.627 62.300 0.195 0.000 0.860 211 V CB 1.977 33.925 31.823 0.209 0.000 0.991 211 V HN 0.955 nan 8.190 nan 0.000 0.427 212 G N 3.403 112.216 108.800 0.022 0.000 2.422 212 G HA2 0.642 4.602 3.960 0.000 0.000 0.317 212 G HA3 0.642 4.602 3.960 0.000 0.000 0.317 212 G C -0.557 174.309 174.900 -0.057 0.000 1.210 212 G CA -0.461 44.633 45.100 -0.011 0.000 0.930 212 G HN 0.853 nan 8.290 nan 0.000 0.468 213 V N 0.099 119.985 119.914 -0.047 0.000 3.096 213 V HA 0.620 4.740 4.120 0.000 0.000 0.319 213 V C 0.720 176.775 176.094 -0.066 0.000 1.082 213 V CA -0.854 61.366 62.300 -0.132 0.000 1.022 213 V CB 0.778 32.432 31.823 -0.281 0.000 1.103 213 V HN 1.022 nan 8.190 nan 0.000 0.455 214 H N -0.510 118.583 119.070 0.038 0.000 2.820 214 H HA -0.110 4.446 4.556 0.000 0.000 0.295 214 H C 0.376 175.723 175.328 0.032 0.000 1.187 214 H CA 0.408 56.482 56.048 0.043 0.000 1.144 214 H CB -1.123 28.671 29.762 0.053 0.000 1.354 214 H HN 1.234 nan 8.280 nan 0.000 0.395 215 A N 1.355 124.230 122.820 0.091 0.000 2.277 215 A HA 0.498 4.818 4.320 0.000 0.000 0.318 215 A C 0.246 177.866 177.584 0.061 0.000 1.339 215 A CA -0.053 52.013 52.037 0.048 0.000 0.875 215 A CB 1.133 20.029 19.000 -0.173 0.000 1.158 215 A HN 0.270 nan 8.150 nan 0.000 0.514 216 S N 2.922 118.691 115.700 0.114 0.000 2.409 216 S HA 0.367 4.838 4.470 0.000 0.000 0.308 216 S C -0.077 174.590 174.600 0.113 0.000 1.080 216 S CA -0.375 57.879 58.200 0.091 0.000 1.081 216 S CB -0.340 62.907 63.200 0.079 0.000 1.009 216 S HN 0.590 nan 8.310 nan 0.000 0.502 217 V N 6.698 126.660 119.914 0.081 0.000 2.439 217 V HA 0.142 4.262 4.120 0.000 0.000 0.271 217 V C 1.039 177.169 176.094 0.059 0.000 1.040 217 V CA 0.310 62.662 62.300 0.086 0.000 1.002 217 V CB 0.563 32.406 31.823 0.033 0.000 1.000 217 V HN 0.921 nan 8.190 nan 0.000 0.477 218 E N 3.498 123.734 120.200 0.059 0.000 2.364 218 E HA 0.176 4.526 4.350 0.000 0.000 0.196 218 E C 0.565 177.186 176.600 0.036 0.000 0.990 218 E CA 0.132 56.557 56.400 0.042 0.000 0.886 218 E CB 0.809 30.531 29.700 0.036 0.000 0.866 218 E HN 0.615 nan 8.360 nan 0.000 0.493 219 K N 0.849 121.265 120.400 0.028 0.000 2.578 219 K HA 0.332 4.652 4.320 0.000 0.000 0.269 219 K C -1.748 174.841 176.600 -0.019 0.000 0.941 219 K CA -0.479 55.825 56.287 0.027 0.000 0.847 219 K CB 1.601 34.123 32.500 0.037 0.000 1.397 219 K HN -0.122 nan 8.250 nan 0.000 0.422 220 I N 4.761 125.314 120.570 -0.028 0.000 2.353 220 I HA 0.315 4.485 4.170 0.000 0.000 0.293 220 I C 0.030 175.934 176.117 -0.356 0.000 0.992 220 I CA -0.828 60.338 61.300 -0.223 0.000 1.268 220 I CB 1.146 38.980 38.000 -0.276 0.000 1.387 220 I HN 0.424 nan 8.210 nan 0.000 0.478 221 I N 5.853 126.169 120.570 -0.424 0.000 2.385 221 I HA 0.369 4.539 4.170 0.000 0.000 0.294 221 I C -0.625 175.193 176.117 -0.498 0.000 0.988 221 I CA -0.222 60.912 61.300 -0.276 0.000 1.265 221 I CB 0.777 38.709 38.000 -0.112 0.000 1.388 221 I HN 0.327 nan 8.210 nan 0.000 0.480 222 F N 2.255 122.234 119.950 0.048 0.000 2.611 222 F HA 0.468 4.995 4.527 0.000 0.000 0.324 222 F C 0.628 176.458 175.800 0.050 0.000 1.061 222 F CA -0.729 57.300 58.000 0.047 0.000 0.954 222 F CB 1.686 40.709 39.000 0.038 0.000 1.301 222 F HN 0.449 nan 8.300 nan 0.000 0.482 223 S N 0.494 116.344 115.700 0.250 0.000 2.655 223 S HA 0.407 4.877 4.470 0.000 0.000 0.265 223 S C -0.282 174.397 174.600 0.131 0.000 1.240 223 S CA -1.036 57.252 58.200 0.147 0.000 0.986 223 S CB 0.474 63.739 63.200 0.108 0.000 0.985 223 S HN 0.519 nan 8.310 nan 0.000 0.562 224 N N 0.806 119.555 118.700 0.082 0.000 2.444 224 N HA 0.437 5.177 4.740 0.000 0.000 0.255 224 N C -0.002 175.533 175.510 0.043 0.000 1.255 224 N CA 0.006 53.090 53.050 0.056 0.000 0.933 224 N CB 0.283 38.793 38.487 0.038 0.000 1.143 224 N HN 0.914 nan 8.380 nan 0.000 0.453 225 A N 1.349 124.183 122.820 0.024 0.000 2.322 225 A HA 0.471 4.791 4.320 0.000 0.000 0.269 225 A C -1.519 176.072 177.584 0.011 0.000 1.094 225 A CA -0.761 51.282 52.037 0.011 0.000 0.807 225 A CB -0.399 18.598 19.000 -0.005 0.000 1.047 225 A HN 0.601 nan 8.150 nan 0.000 0.487 226 P HA 0.515 nan 4.420 nan 0.000 0.297 226 P C 0.376 177.686 177.300 0.016 0.000 1.307 226 P CA 0.525 63.629 63.100 0.006 0.000 0.773 226 P CB 0.326 32.027 31.700 0.002 0.000 1.265 227 G N -0.226 108.584 108.800 0.016 0.000 2.351 227 G HA2 -0.196 3.764 3.960 0.000 0.000 0.297 227 G HA3 -0.196 3.764 3.960 0.000 0.000 0.297 227 G C -0.042 174.885 174.900 0.046 0.000 1.054 227 G CA -0.142 44.974 45.100 0.027 0.000 1.123 227 G HN 0.452 nan 8.290 nan 0.000 0.512 228 L N 0.333 121.586 121.223 0.049 0.000 2.490 228 L HA 0.408 4.748 4.340 0.000 0.000 0.274 228 L C 0.773 177.727 176.870 0.141 0.000 1.201 228 L CA 0.493 55.385 54.840 0.087 0.000 0.869 228 L CB 0.572 42.651 42.059 0.034 0.000 1.123 228 L HN 0.304 nan 8.230 nan 0.000 0.484 229 T N 1.742 116.418 114.554 0.203 0.000 2.971 229 T HA 0.500 4.850 4.350 0.000 0.000 0.304 229 T C -0.291 174.534 174.700 0.207 0.000 1.038 229 T CA -0.623 61.586 62.100 0.181 0.000 1.007 229 T CB 1.808 70.734 68.868 0.096 0.000 1.055 229 T HN 0.670 nan 8.240 nan 0.000 0.451 230 A N 1.885 124.780 122.820 0.125 0.000 2.450 230 A HA 0.517 4.837 4.320 0.000 0.000 0.255 230 A C 1.349 178.879 177.584 -0.090 0.000 1.096 230 A CA 0.053 51.997 52.037 -0.155 0.000 0.778 230 A CB -0.033 18.854 19.000 -0.188 0.000 1.031 230 A HN 0.996 nan 8.150 nan 0.000 0.494 231 T N -0.394 114.093 114.554 -0.110 0.000 3.010 231 T HA 0.544 4.894 4.350 0.000 0.000 0.257 231 T C 0.773 175.505 174.700 0.054 0.000 1.020 231 T CA 0.723 62.838 62.100 0.026 0.000 0.938 231 T CB 0.044 68.981 68.868 0.115 0.000 1.049 231 T HN 2.064 nan 8.240 nan 0.000 0.522 232 G N 0.772 109.507 108.800 -0.109 0.000 2.344 232 G HA2 0.442 4.402 3.960 0.000 0.000 0.282 232 G HA3 0.442 4.402 3.960 0.000 0.000 0.282 232 G C -1.606 173.149 174.900 -0.242 0.000 1.281 232 G CA -0.119 44.872 45.100 -0.182 0.000 0.877 232 G HN 1.147 nan 8.290 nan 0.000 0.494 233 V N -2.423 117.345 119.914 -0.244 0.000 3.159 233 V HA 0.877 4.997 4.120 0.000 0.000 0.308 233 V C -0.787 175.238 176.094 -0.115 0.000 1.190 233 V CA -1.239 60.972 62.300 -0.149 0.000 1.037 233 V CB 1.856 33.639 31.823 -0.066 0.000 1.060 233 V HN 0.958 nan 8.190 nan 0.000 0.437 234 I N 3.382 123.920 120.570 -0.052 0.000 2.378 234 I HA 0.635 4.805 4.170 0.000 0.000 0.291 234 I C -0.892 175.259 176.117 0.056 0.000 0.992 234 I CA -0.629 60.639 61.300 -0.053 0.000 1.154 234 I CB 1.615 39.580 38.000 -0.058 0.000 1.315 234 I HN 0.922 nan 8.210 nan 0.000 0.448 235 Y N 4.214 124.502 120.300 -0.020 0.000 2.536 235 Y HA 0.775 5.325 4.550 0.000 0.000 0.347 235 Y C -0.805 175.104 175.900 0.015 0.000 1.000 235 Y CA -1.302 56.786 58.100 -0.020 0.000 1.051 235 Y CB 1.216 39.642 38.460 -0.057 0.000 1.259 235 Y HN 0.440 nan 8.280 nan 0.000 0.468 236 R N 1.943 122.519 120.500 0.126 0.000 2.637 236 R HA 0.344 4.684 4.340 0.000 0.000 0.291 236 R C -1.266 175.094 176.300 0.101 0.000 0.963 236 R CA -0.701 55.444 56.100 0.075 0.000 0.901 236 R CB 1.265 31.602 30.300 0.062 0.000 1.160 236 R HN 1.014 nan 8.270 nan 0.000 0.457 237 D N 0.903 121.349 120.400 0.077 0.000 2.466 237 D HA 0.039 4.679 4.640 0.000 0.000 0.262 237 D C 0.814 177.159 176.300 0.076 0.000 1.177 237 D CA -0.457 53.591 54.000 0.079 0.000 1.035 237 D CB 0.769 41.616 40.800 0.078 0.000 1.105 237 D HN 0.414 nan 8.370 nan 0.000 0.551 238 S N -0.885 114.851 115.700 0.060 0.000 2.469 238 S HA -0.159 4.311 4.470 0.000 0.000 0.238 238 S C 0.907 175.522 174.600 0.025 0.000 0.998 238 S CA 0.387 58.596 58.200 0.015 0.000 0.957 238 S CB -0.580 62.593 63.200 -0.044 0.000 0.764 238 S HN 0.471 nan 8.310 nan 0.000 0.514 239 N N 1.302 120.032 118.700 0.051 0.000 2.322 239 N HA 0.204 4.944 4.740 0.000 0.000 0.194 239 N C 1.233 176.771 175.510 0.046 0.000 1.126 239 N CA 0.692 53.770 53.050 0.046 0.000 0.845 239 N CB 0.315 38.837 38.487 0.059 0.000 0.976 239 N HN 0.665 nan 8.380 nan 0.000 0.475 240 G N 0.457 109.287 108.800 0.050 0.000 2.168 240 G HA2 -0.276 3.684 3.960 0.000 0.000 0.263 240 G HA3 -0.276 3.684 3.960 0.000 0.000 0.263 240 G C 0.139 175.069 174.900 0.051 0.000 0.977 240 G CA 0.604 45.730 45.100 0.044 0.000 0.659 240 G HN 0.321 nan 8.290 nan 0.000 0.533 241 T N 3.705 118.308 114.554 0.082 0.000 2.780 241 T HA 0.520 4.870 4.350 0.000 0.000 0.294 241 T C -1.935 172.845 174.700 0.133 0.000 0.949 241 T CA -0.538 61.610 62.100 0.079 0.000 1.074 241 T CB 2.260 71.178 68.868 0.084 0.000 0.910 241 T HN 0.249 nan 8.240 nan 0.000 0.501 242 P HA 0.408 nan 4.420 nan 0.000 0.284 242 P C -1.017 176.239 177.300 -0.074 0.000 1.253 242 P CA -0.517 62.587 63.100 0.007 0.000 0.800 242 P CB 0.921 32.597 31.700 -0.039 0.000 0.961 243 H N -0.197 118.560 119.070 -0.522 0.000 2.834 243 H HA 0.521 5.078 4.556 0.000 0.000 0.369 243 H C -0.136 174.823 175.328 -0.615 0.000 1.174 243 H CA -0.469 55.184 56.048 -0.658 0.000 1.165 243 H CB 1.588 30.619 29.762 -1.218 0.000 1.820 243 H HN 0.323 nan 8.280 nan 0.000 0.558 244 Q N 0.370 120.034 119.800 -0.226 0.000 2.323 244 Q HA 0.756 5.096 4.340 0.000 0.000 0.271 244 Q C -1.351 174.549 176.000 -0.167 0.000 1.048 244 Q CA -1.165 54.475 55.803 -0.272 0.000 0.792 244 Q CB 3.095 31.668 28.738 -0.275 0.000 1.280 244 Q HN 0.712 nan 8.270 nan 0.000 0.441 245 A N 2.987 125.662 122.820 -0.241 0.000 2.332 245 A HA 0.764 5.085 4.320 0.000 0.000 0.300 245 A C -1.356 176.069 177.584 -0.265 0.000 1.153 245 A CA -0.413 51.625 52.037 0.002 0.000 0.764 245 A CB 0.409 19.509 19.000 0.168 0.000 1.174 245 A HN 0.584 nan 8.150 nan 0.000 0.467 246 F N 1.423 121.470 119.950 0.162 0.000 2.483 246 F HA 0.619 5.146 4.527 0.000 0.000 0.329 246 F C 0.618 176.464 175.800 0.076 0.000 1.064 246 F CA -0.788 57.257 58.000 0.075 0.000 0.986 246 F CB 1.943 40.963 39.000 0.033 0.000 1.218 246 F HN 0.489 nan 8.300 nan 0.000 0.484 247 V N -0.341 119.688 119.914 0.191 0.000 2.713 247 V HA 0.694 4.814 4.120 0.000 0.000 0.307 247 V C -0.157 175.948 176.094 0.018 0.000 1.052 247 V CA -1.218 61.116 62.300 0.057 0.000 0.967 247 V CB 1.485 33.280 31.823 -0.047 0.000 1.019 247 V HN 0.776 nan 8.190 nan 0.000 0.459 248 R N 1.313 121.779 120.500 -0.057 0.000 2.541 248 R HA 0.521 4.861 4.340 0.000 0.000 0.254 248 R C 0.472 176.710 176.300 -0.104 0.000 1.130 248 R CA -0.388 55.672 56.100 -0.068 0.000 1.152 248 R CB 0.681 30.941 30.300 -0.066 0.000 1.222 248 R HN 0.870 nan 8.270 nan 0.000 0.579 249 S N 0.633 116.286 115.700 -0.078 0.000 2.563 249 S HA -0.059 4.411 4.470 0.000 0.000 0.294 249 S C 0.171 174.701 174.600 -0.118 0.000 1.279 249 S CA 0.687 58.843 58.200 -0.074 0.000 1.069 249 S CB -0.036 63.136 63.200 -0.047 0.000 0.828 249 S HN 0.653 nan 8.310 nan 0.000 0.497 250 K N 0.925 121.258 120.400 -0.112 0.000 3.584 250 K HA -0.166 4.154 4.320 0.000 0.000 0.300 250 K C 0.713 177.157 176.600 -0.261 0.000 1.285 250 K CA 1.052 57.255 56.287 -0.139 0.000 1.008 250 K CB -2.092 30.336 32.500 -0.120 0.000 1.271 250 K HN 0.785 nan 8.250 nan 0.000 0.447 251 G N 1.019 109.609 108.800 -0.350 0.000 2.599 251 G HA2 0.435 4.395 3.960 0.000 0.000 0.264 251 G HA3 0.435 4.395 3.960 0.000 0.000 0.264 251 G C -0.394 174.272 174.900 -0.391 0.000 1.200 251 G CA -0.302 44.411 45.100 -0.645 0.000 0.896 251 G HN 0.227 nan 8.290 nan 0.000 0.536 252 E N -1.482 118.479 120.200 -0.399 0.000 2.413 252 E HA 0.418 4.768 4.350 0.000 0.000 0.277 252 E C -1.550 175.068 176.600 0.032 0.000 0.958 252 E CA -0.887 55.482 56.400 -0.052 0.000 0.779 252 E CB 2.481 32.246 29.700 0.108 0.000 1.278 252 E HN 0.231 nan 8.360 nan 0.000 0.456 253 V N 2.335 122.259 119.914 0.018 0.000 2.394 253 V HA 0.408 4.528 4.120 0.000 0.000 0.282 253 V C -0.324 175.789 176.094 0.032 0.000 1.031 253 V CA -0.390 61.913 62.300 0.005 0.000 0.881 253 V CB 0.814 32.602 31.823 -0.059 0.000 0.982 253 V HN 0.480 nan 8.190 nan 0.000 0.451 254 I N 5.147 125.735 120.570 0.032 0.000 2.436 254 I HA 0.420 4.591 4.170 0.000 0.000 0.289 254 I C -0.543 175.572 176.117 -0.002 0.000 1.010 254 I CA -0.834 60.478 61.300 0.021 0.000 1.098 254 I CB 2.129 40.134 38.000 0.010 0.000 1.266 254 I HN 0.249 nan 8.210 nan 0.000 0.434 255 V N 5.011 124.926 119.914 0.003 0.000 2.383 255 V HA 0.254 4.374 4.120 0.000 0.000 0.275 255 V C 0.469 176.558 176.094 -0.008 0.000 1.036 255 V CA -0.066 62.233 62.300 -0.002 0.000 0.889 255 V CB 1.175 33.004 31.823 0.010 0.000 0.985 255 V HN 0.837 nan 8.190 nan 0.000 0.459 256 S N 3.030 118.721 115.700 -0.016 0.000 2.740 256 S HA 0.299 4.769 4.470 0.000 0.000 0.244 256 S C 1.217 175.812 174.600 -0.009 0.000 1.101 256 S CA 0.279 58.467 58.200 -0.021 0.000 1.123 256 S CB 1.031 64.212 63.200 -0.032 0.000 1.012 256 S HN 0.894 nan 8.310 nan 0.000 0.491 257 A N 1.360 124.180 122.820 0.000 0.000 2.259 257 A HA 0.603 4.923 4.320 0.000 0.000 0.208 257 A C 1.272 178.873 177.584 0.028 0.000 1.201 257 A CA 0.436 52.480 52.037 0.012 0.000 0.824 257 A CB -0.726 18.280 19.000 0.011 0.000 0.838 257 A HN 1.067 nan 8.150 nan 0.000 0.485 258 G N -2.172 106.642 108.800 0.024 0.000 2.746 258 G HA2 -0.145 3.815 3.960 0.000 0.000 0.685 258 G HA3 -0.145 3.815 3.960 0.000 0.000 0.685 258 G C 0.522 175.465 174.900 0.073 0.000 1.350 258 G CA -0.173 44.958 45.100 0.050 0.000 0.837 258 G HN 0.425 nan 8.290 nan 0.000 0.564 259 T N 0.341 114.978 114.554 0.138 0.000 2.737 259 T HA -0.157 4.194 4.350 0.000 0.000 0.269 259 T C 2.410 177.180 174.700 0.117 0.000 1.040 259 T CA 1.949 64.159 62.100 0.183 0.000 1.142 259 T CB -0.157 68.944 68.868 0.389 0.000 0.861 259 T HN 0.444 nan 8.240 nan 0.000 0.456 260 I N 0.690 121.309 120.570 0.080 0.000 2.429 260 I HA 0.130 4.300 4.170 0.000 0.000 0.247 260 I C 2.917 179.014 176.117 -0.034 0.000 1.099 260 I CA 1.081 62.353 61.300 -0.046 0.000 1.422 260 I CB -1.806 36.086 38.000 -0.180 0.000 1.112 260 I HN 0.285 nan 8.210 nan 0.000 0.430 261 G N 0.527 109.326 108.800 -0.000 0.000 2.408 261 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 261 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 261 G C 1.683 176.588 174.900 0.008 0.000 1.150 261 G CA 1.262 46.363 45.100 0.002 0.000 0.776 261 G HN 0.292 nan 8.290 nan 0.000 0.542 262 T N 1.899 116.461 114.554 0.015 0.000 2.701 262 T HA -0.052 4.298 4.350 0.000 0.000 0.263 262 T C 0.217 174.924 174.700 0.012 0.000 1.040 262 T CA 1.540 63.648 62.100 0.015 0.000 1.147 262 T CB -0.805 68.072 68.868 0.016 0.000 0.865 262 T HN 0.230 nan 8.240 nan 0.000 0.426 263 P HA -0.089 nan 4.420 nan 0.000 0.217 263 P C 1.629 178.930 177.300 0.002 0.000 1.150 263 P CA 1.043 64.141 63.100 -0.003 0.000 0.832 263 P CB -0.074 31.618 31.700 -0.014 0.000 0.787 264 Q N -0.436 119.362 119.800 -0.003 0.000 2.061 264 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 264 Q C 1.996 178.013 176.000 0.028 0.000 0.984 264 Q CA 1.488 57.295 55.803 0.007 0.000 0.846 264 Q CB -0.764 27.969 28.738 -0.009 0.000 0.902 264 Q HN 0.092 nan 8.270 nan 0.000 0.421 265 L N 0.620 121.860 121.223 0.028 0.000 2.046 265 L HA -0.135 4.205 4.340 0.000 0.000 0.208 265 L C 2.110 179.019 176.870 0.065 0.000 1.077 265 L CA 1.498 56.363 54.840 0.042 0.000 0.747 265 L CB -0.479 41.600 42.059 0.033 0.000 0.896 265 L HN 0.323 nan 8.230 nan 0.000 0.432 266 L N -1.342 119.916 121.223 0.058 0.000 2.017 266 L HA -0.255 4.086 4.340 0.000 0.000 0.208 266 L C 2.522 179.438 176.870 0.077 0.000 1.073 266 L CA 1.421 56.305 54.840 0.074 0.000 0.745 266 L CB -0.579 41.498 42.059 0.029 0.000 0.894 266 L HN 0.299 nan 8.230 nan 0.000 0.432 267 L N -0.600 120.663 121.223 0.067 0.000 2.017 267 L HA -0.250 4.090 4.340 0.000 0.000 0.208 267 L C 2.476 179.401 176.870 0.092 0.000 1.073 267 L CA 1.252 56.150 54.840 0.097 0.000 0.745 267 L CB -0.490 41.647 42.059 0.130 0.000 0.894 267 L HN 0.265 nan 8.230 nan 0.000 0.432 268 L N -0.962 120.309 121.223 0.079 0.000 2.265 268 L HA -0.149 4.191 4.340 0.000 0.000 0.215 268 L C 2.087 179.006 176.870 0.082 0.000 1.117 268 L CA 0.713 55.593 54.840 0.066 0.000 0.782 268 L CB -0.295 41.797 42.059 0.054 0.000 0.914 268 L HN 0.180 nan 8.230 nan 0.000 0.441 269 S N -0.614 115.155 115.700 0.116 0.000 2.605 269 S HA 0.216 4.686 4.470 0.000 0.000 0.217 269 S C 1.358 176.049 174.600 0.151 0.000 0.958 269 S CA 0.588 58.904 58.200 0.193 0.000 0.919 269 S CB 0.598 63.986 63.200 0.313 0.000 0.780 269 S HN 0.618 nan 8.310 nan 0.000 0.507 270 G N 0.979 109.819 108.800 0.067 0.000 2.141 270 G HA2 -0.226 3.734 3.960 0.000 0.000 0.242 270 G HA3 -0.226 3.734 3.960 0.000 0.000 0.242 270 G C -0.022 174.851 174.900 -0.044 0.000 0.982 270 G CA -0.047 45.054 45.100 0.001 0.000 0.662 270 G HN 0.426 nan 8.290 nan 0.000 0.527 271 V N 0.797 120.706 119.914 -0.008 0.000 2.275 271 V HA 0.813 4.934 4.120 0.000 0.000 0.272 271 V C 0.792 176.913 176.094 0.045 0.000 1.028 271 V CA 0.526 62.821 62.300 -0.008 0.000 0.810 271 V CB 0.597 32.405 31.823 -0.025 0.000 1.043 271 V HN 1.418 nan 8.190 nan 0.000 0.453 272 G N 5.702 114.548 108.800 0.077 0.000 2.340 272 G HA2 0.424 4.384 3.960 0.000 0.000 0.299 272 G HA3 0.424 4.384 3.960 0.000 0.000 0.299 272 G C -3.506 171.434 174.900 0.066 0.000 1.291 272 G CA -0.924 44.225 45.100 0.082 0.000 0.841 272 G HN 0.337 nan 8.290 nan 0.000 0.500 273 P HA 0.117 nan 4.420 nan 0.000 0.262 273 P C 0.756 178.091 177.300 0.058 0.000 1.199 273 P CA 0.084 63.193 63.100 0.015 0.000 0.763 273 P CB 1.079 32.775 31.700 -0.007 0.000 0.790 274 E N 3.366 123.570 120.200 0.007 0.000 2.049 274 E HA -0.229 4.121 4.350 0.000 0.000 0.198 274 E C 1.662 178.268 176.600 0.010 0.000 1.007 274 E CA 2.588 58.988 56.400 -0.000 0.000 0.809 274 E CB -0.437 29.248 29.700 -0.024 0.000 0.749 274 E HN 0.489 nan 8.360 nan 0.000 0.450 275 S N -0.365 115.344 115.700 0.015 0.000 2.382 275 S HA -0.207 4.263 4.470 0.000 0.000 0.228 275 S C 2.186 176.807 174.600 0.036 0.000 1.027 275 S CA 1.305 59.514 58.200 0.015 0.000 0.991 275 S CB -0.916 62.292 63.200 0.014 0.000 0.823 275 S HN 0.439 nan 8.310 nan 0.000 0.469 276 Y N 2.555 122.829 120.300 -0.043 0.000 2.114 276 Y HA 0.023 4.574 4.550 0.000 0.000 0.284 276 Y C 2.060 177.941 175.900 -0.032 0.000 1.143 276 Y CA 1.368 59.445 58.100 -0.039 0.000 1.135 276 Y CB -0.563 37.869 38.460 -0.045 0.000 0.980 276 Y HN 0.201 nan 8.280 nan 0.000 0.499 277 L N -0.162 121.031 121.223 -0.050 0.000 2.012 277 L HA -0.254 4.086 4.340 0.000 0.000 0.210 277 L C 2.708 179.485 176.870 -0.154 0.000 1.073 277 L CA 1.890 56.651 54.840 -0.131 0.000 0.748 277 L CB -1.003 41.053 42.059 -0.004 0.000 0.891 277 L HN 0.383 nan 8.230 nan 0.000 0.431 278 S N -0.853 114.791 115.700 -0.095 0.000 2.423 278 S HA -0.160 4.310 4.470 0.000 0.000 0.231 278 S C 2.115 176.652 174.600 -0.106 0.000 1.014 278 S CA 0.981 59.132 58.200 -0.082 0.000 0.965 278 S CB -0.577 62.592 63.200 -0.051 0.000 0.785 278 S HN 0.544 nan 8.310 nan 0.000 0.495 279 S N 1.969 117.585 115.700 -0.139 0.000 2.419 279 S HA 0.085 4.555 4.470 0.000 0.000 0.233 279 S C 1.532 176.033 174.600 -0.165 0.000 1.016 279 S CA 0.827 58.945 58.200 -0.137 0.000 0.974 279 S CB -0.713 62.402 63.200 -0.142 0.000 0.786 279 S HN 0.594 nan 8.310 nan 0.000 0.492 280 L N 0.806 121.891 121.223 -0.230 0.000 2.667 280 L HA 0.376 4.716 4.340 0.000 0.000 0.232 280 L C 0.120 176.913 176.870 -0.127 0.000 1.138 280 L CA -0.103 54.617 54.840 -0.201 0.000 0.921 280 L CB -0.801 41.080 42.059 -0.297 0.000 1.180 280 L HN 0.331 nan 8.230 nan 0.000 0.487 281 N N 0.245 118.882 118.700 -0.105 0.000 2.776 281 N HA -0.177 4.563 4.740 0.000 0.000 0.250 281 N C -0.174 175.301 175.510 -0.058 0.000 1.112 281 N CA 0.088 53.098 53.050 -0.068 0.000 0.733 281 N CB -1.078 37.377 38.487 -0.052 0.000 1.097 281 N HN 0.274 nan 8.380 nan 0.000 0.558 282 I N 1.171 121.699 120.570 -0.071 0.000 2.325 282 I HA 0.250 4.420 4.170 0.000 0.000 0.291 282 I C -1.966 174.132 176.117 -0.031 0.000 1.019 282 I CA -1.817 59.456 61.300 -0.044 0.000 1.302 282 I CB 0.820 38.792 38.000 -0.048 0.000 1.401 282 I HN -0.233 nan 8.210 nan 0.000 0.485 283 P HA -0.018 nan 4.420 nan 0.000 0.262 283 P C -0.594 176.694 177.300 -0.020 0.000 1.182 283 P CA -0.020 63.072 63.100 -0.013 0.000 0.761 283 P CB 0.389 32.090 31.700 0.002 0.000 0.795 284 V N 5.170 125.066 119.914 -0.031 0.000 2.432 284 V HA 0.005 4.125 4.120 0.000 0.000 0.271 284 V C 1.461 177.512 176.094 -0.072 0.000 1.046 284 V CA 0.135 62.409 62.300 -0.043 0.000 0.945 284 V CB 1.280 33.081 31.823 -0.038 0.000 0.992 284 V HN 0.393 nan 8.190 nan 0.000 0.471 285 V N 5.294 125.134 119.914 -0.125 0.000 2.500 285 V HA 0.215 4.335 4.120 0.000 0.000 0.243 285 V C 0.225 176.210 176.094 -0.182 0.000 1.039 285 V CA 0.881 63.052 62.300 -0.215 0.000 1.053 285 V CB 0.306 31.827 31.823 -0.503 0.000 0.695 285 V HN 0.619 nan 8.190 nan 0.000 0.463 286 L N -0.709 120.428 121.223 -0.143 0.000 2.614 286 L HA 0.467 4.807 4.340 0.000 0.000 0.264 286 L C -0.396 176.448 176.870 -0.044 0.000 0.940 286 L CA -0.100 54.688 54.840 -0.088 0.000 0.903 286 L CB 1.822 43.841 42.059 -0.067 0.000 1.306 286 L HN -0.043 nan 8.230 nan 0.000 0.410 287 S N 4.031 119.689 115.700 -0.071 0.000 2.481 287 S HA 0.237 4.707 4.470 0.000 0.000 0.282 287 S C -0.519 174.015 174.600 -0.110 0.000 1.243 287 S CA 0.151 58.312 58.200 -0.065 0.000 1.078 287 S CB -0.327 62.825 63.200 -0.079 0.000 0.916 287 S HN 0.611 nan 8.310 nan 0.000 0.495 288 H N 6.067 125.096 119.070 -0.068 0.000 2.854 288 H HA 0.281 4.837 4.556 0.000 0.000 0.275 288 H C -2.108 173.149 175.328 -0.119 0.000 1.198 288 H CA -1.738 54.271 56.048 -0.065 0.000 1.489 288 H CB 1.679 31.424 29.762 -0.028 0.000 1.519 288 H HN 0.443 nan 8.280 nan 0.000 0.503 289 P HA -0.180 nan 4.420 nan 0.000 0.217 289 P C 0.507 177.529 177.300 -0.464 0.000 1.151 289 P CA 1.570 64.425 63.100 -0.408 0.000 0.849 289 P CB 0.015 31.288 31.700 -0.712 0.000 0.787 290 Y N -2.410 117.936 120.300 0.077 0.000 2.468 290 Y HA 0.154 4.705 4.550 0.000 0.000 0.268 290 Y C 0.733 176.635 175.900 0.004 0.000 1.177 290 Y CA -0.705 57.419 58.100 0.040 0.000 1.265 290 Y CB -0.089 38.475 38.460 0.173 0.000 1.103 290 Y HN -0.326 nan 8.280 nan 0.000 0.522 291 V N 1.333 121.295 119.914 0.080 0.000 2.450 291 V HA 0.202 4.322 4.120 0.000 0.000 0.281 291 V C 1.161 177.231 176.094 -0.041 0.000 1.019 291 V CA 1.224 63.532 62.300 0.013 0.000 1.062 291 V CB 0.158 31.972 31.823 -0.014 0.000 0.979 291 V HN 0.736 nan 8.190 nan 0.000 0.477 292 G N 3.712 112.493 108.800 -0.031 0.000 2.175 292 G HA2 -0.171 3.789 3.960 0.000 0.000 0.244 292 G HA3 -0.171 3.789 3.960 0.000 0.000 0.244 292 G C 0.159 174.996 174.900 -0.104 0.000 0.982 292 G CA -0.199 44.853 45.100 -0.080 0.000 0.641 292 G HN 0.567 nan 8.290 nan 0.000 0.527 293 Q N -1.052 118.692 119.800 -0.092 0.000 2.193 293 Q HA 0.672 5.012 4.340 0.000 0.000 0.246 293 Q C 0.813 176.711 176.000 -0.170 0.000 0.959 293 Q CA -0.799 54.849 55.803 -0.259 0.000 0.904 293 Q CB 0.290 28.770 28.738 -0.429 0.000 1.238 293 Q HN 0.713 nan 8.270 nan 0.000 0.469 294 F N -0.375 119.526 119.950 -0.081 0.000 2.905 294 F HA -0.255 4.272 4.527 0.000 0.000 0.291 294 F C -0.189 175.623 175.800 0.020 0.000 1.002 294 F CA -0.369 57.486 58.000 -0.242 0.000 0.978 294 F CB -1.279 37.553 39.000 -0.281 0.000 1.036 294 F HN 0.284 nan 8.300 nan 0.000 0.820 295 L N 2.782 124.094 121.223 0.147 0.000 2.264 295 L HA 0.473 4.813 4.340 0.000 0.000 0.289 295 L C 0.227 177.246 176.870 0.249 0.000 1.044 295 L CA -0.204 54.771 54.840 0.225 0.000 0.807 295 L CB 0.426 42.560 42.059 0.125 0.000 1.192 295 L HN 0.157 nan 8.230 nan 0.000 0.425 296 H N 2.864 121.986 119.070 0.087 0.000 2.524 296 H HA 0.414 4.970 4.556 0.000 0.000 0.353 296 H C -1.248 173.919 175.328 -0.268 0.000 1.136 296 H CA -0.853 55.161 56.048 -0.057 0.000 1.193 296 H CB 2.385 31.993 29.762 -0.257 0.000 1.558 296 H HN 0.445 nan 8.280 nan 0.000 0.515 297 D N 1.820 122.096 120.400 -0.208 0.000 2.602 297 D HA 0.123 4.763 4.640 0.000 0.000 0.245 297 D C -1.045 175.252 176.300 -0.006 0.000 1.325 297 D CA -0.637 53.150 54.000 -0.356 0.000 0.952 297 D CB 0.705 40.714 40.800 -1.318 0.000 1.317 297 D HN 0.414 nan 8.370 nan 0.000 0.577 298 N N 4.539 123.336 118.700 0.163 0.000 2.447 298 N HA 0.192 4.932 4.740 0.000 0.000 0.263 298 N C -2.245 173.354 175.510 0.149 0.000 1.226 298 N CA -0.521 52.632 53.050 0.170 0.000 0.906 298 N CB 0.584 39.168 38.487 0.161 0.000 1.060 298 N HN 0.300 nan 8.380 nan 0.000 0.468 299 P HA 0.098 nan 4.420 nan 0.000 0.275 299 P C -0.831 176.529 177.300 0.099 0.000 1.228 299 P CA -0.251 62.876 63.100 0.044 0.000 0.786 299 P CB 0.938 32.554 31.700 -0.140 0.000 0.927 300 R N 2.502 123.031 120.500 0.049 0.000 2.393 300 R HA 0.434 4.775 4.340 0.000 0.000 0.315 300 R C -0.940 175.448 176.300 0.147 0.000 0.952 300 R CA -0.518 55.675 56.100 0.154 0.000 0.842 300 R CB 0.645 30.875 30.300 -0.116 0.000 1.163 300 R HN 0.419 nan 8.270 nan 0.000 0.450 301 N N 3.069 121.887 118.700 0.196 0.000 2.292 301 N HA 0.588 5.328 4.740 0.000 0.000 0.303 301 N C -1.498 174.118 175.510 0.177 0.000 1.140 301 N CA -0.366 52.723 53.050 0.064 0.000 0.788 301 N CB 1.507 40.049 38.487 0.092 0.000 1.361 301 N HN 0.448 nan 8.380 nan 0.000 0.489 302 F N -1.258 118.775 119.950 0.138 0.000 2.779 302 F HA 0.688 5.216 4.527 0.001 0.000 0.316 302 F C -1.960 173.967 175.800 0.211 0.000 1.164 302 F CA -1.095 56.948 58.000 0.071 0.000 0.924 302 F CB 1.127 39.983 39.000 -0.240 0.000 1.348 302 F HN 0.082 nan 8.300 nan 0.000 0.467 303 I N 2.483 123.310 120.570 0.428 0.000 2.534 303 I HA 0.311 4.481 4.170 0.000 0.000 0.288 303 I C -1.526 174.895 176.117 0.507 0.000 1.077 303 I CA -0.814 60.710 61.300 0.373 0.000 1.051 303 I CB 1.847 39.918 38.000 0.118 0.000 1.234 303 I HN 0.613 nan 8.210 nan 0.000 0.425 304 N N 7.207 126.235 118.700 0.547 0.000 2.419 304 N HA 0.579 5.319 4.740 0.000 0.000 0.277 304 N C -0.468 175.271 175.510 0.382 0.000 1.006 304 N CA -0.343 53.058 53.050 0.585 0.000 0.923 304 N CB 2.604 41.471 38.487 0.634 0.000 1.140 304 N HN 0.571 nan 8.380 nan 0.000 0.488 305 I N -1.375 119.416 120.570 0.369 0.000 2.530 305 I HA 0.541 4.711 4.170 0.000 0.000 0.297 305 I C -0.913 175.368 176.117 0.273 0.000 1.011 305 I CA -1.002 60.455 61.300 0.261 0.000 1.107 305 I CB 1.604 39.703 38.000 0.166 0.000 1.285 305 I HN 0.171 nan 8.210 nan 0.000 0.436 306 L N 6.194 127.563 121.223 0.243 0.000 2.313 306 L HA 0.517 4.858 4.340 0.000 0.000 0.273 306 L C -2.338 174.652 176.870 0.200 0.000 1.028 306 L CA -1.650 53.303 54.840 0.188 0.000 0.871 306 L CB 0.959 43.095 42.059 0.128 0.000 1.242 306 L HN 0.392 nan 8.230 nan 0.000 0.434 307 P HA 0.042 nan 4.420 nan 0.000 0.267 307 P C -1.777 175.618 177.300 0.159 0.000 1.200 307 P CA -0.898 62.354 63.100 0.253 0.000 0.772 307 P CB 0.236 32.115 31.700 0.298 0.000 0.855 308 P HA -0.086 nan 4.420 nan 0.000 0.223 308 P C -0.299 177.038 177.300 0.062 0.000 1.151 308 P CA 1.414 64.559 63.100 0.074 0.000 0.787 308 P CB 0.434 32.160 31.700 0.045 0.000 0.788 309 N N 0.919 119.668 118.700 0.081 0.000 2.321 309 N HA 0.268 5.008 4.740 0.000 0.000 0.299 309 N C -2.614 172.949 175.510 0.088 0.000 1.048 309 N CA -1.751 51.340 53.050 0.069 0.000 0.836 309 N CB 1.618 40.139 38.487 0.057 0.000 1.269 309 N HN 0.061 nan 8.380 nan 0.000 0.486 310 P HA 0.107 nan 4.420 nan 0.000 0.265 310 P C -0.283 177.036 177.300 0.032 0.000 1.193 310 P CA 0.053 63.170 63.100 0.029 0.000 0.765 310 P CB 0.691 32.401 31.700 0.016 0.000 0.823 311 I N -0.451 120.094 120.570 -0.041 0.000 2.863 311 I HA 0.553 4.723 4.170 0.000 0.000 0.311 311 I C 0.270 176.314 176.117 -0.121 0.000 1.026 311 I CA -1.354 59.902 61.300 -0.074 0.000 1.077 311 I CB 1.999 39.822 38.000 -0.296 0.000 1.262 311 I HN 0.193 nan 8.210 nan 0.000 0.461 312 E N 3.024 123.176 120.200 -0.080 0.000 2.283 312 E HA 0.530 4.880 4.350 0.000 0.000 0.271 312 E C -2.871 173.629 176.600 -0.167 0.000 1.031 312 E CA -2.464 53.883 56.400 -0.088 0.000 0.868 312 E CB 0.661 30.348 29.700 -0.022 0.000 1.094 312 E HN 0.366 nan 8.360 nan 0.000 0.401 313 P HA 0.169 nan 4.420 nan 0.000 0.271 313 P C -0.647 176.550 177.300 -0.173 0.000 1.218 313 P CA 0.112 63.061 63.100 -0.251 0.000 0.780 313 P CB 0.751 32.343 31.700 -0.181 0.000 0.901 314 T N -0.910 113.522 114.554 -0.204 0.000 2.864 314 T HA 0.727 5.077 4.350 0.000 0.000 0.299 314 T C -0.141 174.555 174.700 -0.007 0.000 1.166 314 T CA -0.997 61.066 62.100 -0.062 0.000 1.007 314 T CB 0.754 69.646 68.868 0.040 0.000 1.219 314 T HN 0.343 nan 8.240 nan 0.000 0.506 315 I N -0.326 120.274 120.570 0.050 0.000 2.428 315 I HA 0.735 4.905 4.170 0.000 0.000 0.296 315 I C -0.235 175.999 176.117 0.196 0.000 0.985 315 I CA -1.457 59.916 61.300 0.121 0.000 1.260 315 I CB 1.295 39.343 38.000 0.080 0.000 1.389 315 I HN 0.391 nan 8.210 nan 0.000 0.484 316 V N 4.997 125.066 119.914 0.258 0.000 2.485 316 V HA 0.098 4.218 4.120 0.000 0.000 0.287 316 V C 1.256 177.450 176.094 0.167 0.000 1.022 316 V CA 0.984 63.427 62.300 0.238 0.000 1.067 316 V CB 0.436 32.416 31.823 0.261 0.000 0.967 316 V HN 1.096 nan 8.190 nan 0.000 0.479 317 T N 1.116 115.764 114.554 0.157 0.000 3.051 317 T HA 0.164 4.514 4.350 0.000 0.000 0.254 317 T C 0.186 174.962 174.700 0.127 0.000 0.916 317 T CA -0.051 62.132 62.100 0.138 0.000 0.894 317 T CB 0.280 69.243 68.868 0.159 0.000 1.251 317 T HN 0.227 nan 8.240 nan 0.000 0.517 318 V N 3.449 123.454 119.914 0.152 0.000 2.406 318 V HA 0.518 4.638 4.120 0.000 0.000 0.272 318 V C -0.398 175.807 176.094 0.185 0.000 1.043 318 V CA -0.601 61.800 62.300 0.167 0.000 0.915 318 V CB 0.934 32.880 31.823 0.206 0.000 0.988 318 V HN 0.419 nan 8.190 nan 0.000 0.466 319 L N 4.509 125.767 121.223 0.058 0.000 2.346 319 L HA 0.724 5.064 4.340 0.000 0.000 0.276 319 L C 0.579 177.230 176.870 -0.366 0.000 1.006 319 L CA -0.528 54.288 54.840 -0.040 0.000 0.817 319 L CB 1.957 44.003 42.059 -0.021 0.000 1.272 319 L HN 0.700 nan 8.230 nan 0.000 0.421 320 G N 4.492 112.834 108.800 -0.763 0.000 2.603 320 G HA2 0.528 4.488 3.960 0.000 0.000 0.324 320 G HA3 0.528 4.488 3.960 0.000 0.000 0.324 320 G C -0.414 174.234 174.900 -0.421 0.000 1.178 320 G CA -0.286 44.107 45.100 -1.179 0.000 1.023 320 G HN 0.267 nan 8.290 nan 0.000 0.482 321 I N 1.923 122.322 120.570 -0.286 0.000 2.315 321 I HA 0.370 4.540 4.170 0.000 0.000 0.291 321 I C 0.327 176.318 176.117 -0.209 0.000 1.006 321 I CA -0.304 60.887 61.300 -0.182 0.000 1.265 321 I CB 0.998 38.789 38.000 -0.348 0.000 1.387 321 I HN 0.182 nan 8.210 nan 0.000 0.475 322 S N 4.497 120.033 115.700 -0.273 0.000 2.648 322 S HA 0.373 4.843 4.470 0.000 0.000 0.305 322 S C 1.035 175.385 174.600 -0.416 0.000 1.094 322 S CA -0.643 57.248 58.200 -0.515 0.000 0.983 322 S CB 1.725 64.195 63.200 -1.217 0.000 1.101 322 S HN 0.569 nan 8.310 nan 0.000 0.514 323 N N 1.072 119.536 118.700 -0.392 0.000 2.223 323 N HA -0.085 4.655 4.740 0.000 0.000 0.185 323 N C 0.434 175.725 175.510 -0.364 0.000 1.016 323 N CA 1.122 54.014 53.050 -0.262 0.000 0.863 323 N CB 0.094 38.449 38.487 -0.220 0.000 0.983 323 N HN 0.479 nan 8.380 nan 0.000 0.429 324 D N -1.006 119.015 120.400 -0.632 0.000 2.379 324 D HA 0.101 4.741 4.640 0.000 0.000 0.208 324 D C -0.416 175.559 176.300 -0.543 0.000 1.065 324 D CA 0.286 53.861 54.000 -0.709 0.000 0.848 324 D CB 0.471 40.698 40.800 -0.955 0.000 0.949 324 D HN 0.256 nan 8.370 nan 0.000 0.509 325 F N -0.813 118.822 119.950 -0.525 0.000 2.665 325 F HA 0.506 5.033 4.527 -0.000 0.000 0.308 325 F C -1.710 173.804 175.800 -0.478 0.000 1.112 325 F CA -1.782 55.864 58.000 -0.590 0.000 0.972 325 F CB 0.421 39.285 39.000 -0.227 0.000 1.295 325 F HN -0.308 nan 8.300 nan 0.000 0.440 326 Y N 1.070 121.454 120.300 0.141 0.000 2.393 326 Y HA 0.700 5.251 4.550 0.000 0.000 0.341 326 Y C -0.305 175.690 175.900 0.159 0.000 0.988 326 Y CA -1.001 57.131 58.100 0.054 0.000 1.078 326 Y CB 2.059 40.494 38.460 -0.043 0.000 1.203 326 Y HN 0.605 nan 8.280 nan 0.000 0.453 327 Q N 2.577 122.581 119.800 0.340 0.000 2.484 327 Q HA 0.820 5.160 4.340 0.000 0.000 0.285 327 Q C -1.044 175.268 176.000 0.521 0.000 1.097 327 Q CA -1.008 55.068 55.803 0.457 0.000 0.802 327 Q CB 3.030 32.129 28.738 0.601 0.000 1.444 327 Q HN 0.926 nan 8.270 nan 0.000 0.429 328 C N -1.930 117.753 119.300 0.639 0.000 3.249 328 C HA 0.853 5.313 4.460 0.000 0.000 0.350 328 C C -1.183 174.051 174.990 0.407 0.000 1.431 328 C CA -0.803 58.565 59.018 0.583 0.000 1.209 328 C CB 1.452 29.479 27.740 0.478 0.000 1.546 328 C HN 0.773 nan 8.230 nan 0.000 0.450 329 S N 0.181 116.034 115.700 0.256 0.000 2.672 329 S HA 0.697 5.167 4.470 0.000 0.000 0.291 329 S C -1.495 173.250 174.600 0.242 0.000 1.145 329 S CA -0.187 58.024 58.200 0.018 0.000 1.013 329 S CB 0.847 63.796 63.200 -0.418 0.000 1.017 329 S HN 1.222 nan 8.310 nan 0.000 0.487 330 F N 5.442 125.441 119.950 0.082 0.000 2.404 330 F HA 0.654 5.181 4.527 0.000 0.000 0.354 330 F C 0.104 175.813 175.800 -0.152 0.000 1.122 330 F CA -0.568 57.481 58.000 0.082 0.000 1.080 330 F CB 1.317 40.443 39.000 0.210 0.000 1.131 330 F HN 0.517 nan 8.300 nan 0.000 0.471 331 S N 4.179 119.437 115.700 -0.736 0.000 2.509 331 S HA 0.809 5.279 4.470 0.000 0.000 0.297 331 S C -0.454 173.421 174.600 -1.208 0.000 1.118 331 S CA -0.531 57.057 58.200 -1.019 0.000 1.074 331 S CB 1.671 64.296 63.200 -0.958 0.000 1.038 331 S HN 0.833 nan 8.310 nan 0.000 0.498 332 S N 1.816 116.854 115.700 -1.103 0.000 2.625 332 S HA 0.588 5.058 4.470 0.000 0.000 0.271 332 S C -0.976 173.404 174.600 -0.368 0.000 1.161 332 S CA -0.965 56.784 58.200 -0.751 0.000 0.820 332 S CB 0.616 63.386 63.200 -0.717 0.000 1.137 332 S HN 0.770 nan 8.310 nan 0.000 0.470 333 L N 3.032 124.184 121.223 -0.118 0.000 2.466 333 L HA 0.459 4.799 4.340 0.000 0.000 0.257 333 L C -1.742 175.184 176.870 0.093 0.000 1.189 333 L CA -2.026 52.813 54.840 -0.001 0.000 0.813 333 L CB 0.419 42.501 42.059 0.038 0.000 1.118 333 L HN 0.571 nan 8.230 nan 0.000 0.471 334 P HA -0.039 nan 4.420 nan 0.000 0.270 334 P C -1.105 176.307 177.300 0.188 0.000 1.223 334 P CA 0.272 63.384 63.100 0.020 0.000 0.785 334 P CB 0.306 32.015 31.700 0.016 0.000 0.923 335 F N 0.307 120.272 119.950 0.025 0.000 2.385 335 F HA 0.115 4.642 4.527 0.000 0.000 0.360 335 F C 2.074 177.881 175.800 0.010 0.000 1.122 335 F CA -0.606 57.397 58.000 0.005 0.000 1.090 335 F CB 1.274 40.265 39.000 -0.016 0.000 1.150 335 F HN 0.315 nan 8.300 nan 0.000 0.472 336 T N -1.716 112.955 114.554 0.195 0.000 2.812 336 T HA -0.042 4.308 4.350 0.000 0.000 0.264 336 T C 0.811 175.566 174.700 0.091 0.000 1.042 336 T CA 1.053 63.220 62.100 0.112 0.000 1.140 336 T CB -0.198 68.718 68.868 0.080 0.000 0.870 336 T HN 0.575 nan 8.240 nan 0.000 0.445 337 T N -0.210 114.382 114.554 0.065 0.000 2.916 337 T HA 0.620 4.970 4.350 0.000 0.000 0.292 337 T C -3.349 171.353 174.700 0.004 0.000 1.055 337 T CA -2.337 59.782 62.100 0.032 0.000 1.009 337 T CB 2.265 71.124 68.868 -0.014 0.000 1.118 337 T HN -0.036 nan 8.240 nan 0.000 0.497 338 P HA 0.336 nan 4.420 nan 0.000 0.276 338 P C -2.860 174.362 177.300 -0.131 0.000 1.235 338 P CA -1.525 61.585 63.100 0.016 0.000 0.772 338 P CB -0.207 31.573 31.700 0.134 0.000 0.871 339 P HA 0.239 nan 4.420 nan 0.000 0.284 339 P C -0.244 176.951 177.300 -0.175 0.000 1.343 339 P CA -0.397 62.457 63.100 -0.409 0.000 0.826 339 P CB -0.103 31.103 31.700 -0.823 0.000 0.956 340 F N 3.416 123.249 119.950 -0.194 0.000 2.623 340 F HA 0.220 4.748 4.527 0.000 0.000 0.383 340 F C 1.686 177.433 175.800 -0.088 0.000 1.077 340 F CA 2.293 60.229 58.000 -0.107 0.000 1.268 340 F CB 0.003 38.940 39.000 -0.105 0.000 1.053 340 F HN 0.693 nan 8.300 nan 0.000 0.571 341 G N 4.716 113.180 108.800 -0.560 0.000 2.241 341 G HA2 -0.407 3.553 3.960 0.000 0.000 0.244 341 G HA3 -0.407 3.553 3.960 0.000 0.000 0.244 341 G C 0.896 175.845 174.900 0.081 0.000 0.998 341 G CA 0.412 45.393 45.100 -0.198 0.000 0.621 341 G HN 0.698 nan 8.290 nan 0.000 0.519 342 F N 0.879 120.714 119.950 -0.193 0.000 2.084 342 F HA 0.430 4.957 4.527 0.001 0.000 0.296 342 F C 1.217 176.667 175.800 -0.583 0.000 1.111 342 F CA 1.285 59.099 58.000 -0.309 0.000 1.224 342 F CB -0.036 38.579 39.000 -0.642 0.000 0.991 342 F HN 0.136 nan 8.300 nan 0.000 0.471 343 F N 0.688 120.576 119.950 -0.103 0.000 2.432 343 F HA 0.293 4.820 4.527 0.000 0.000 0.329 343 F C -1.084 174.575 175.800 -0.235 0.000 1.076 343 F CA -2.236 55.555 58.000 -0.349 0.000 1.018 343 F CB 0.692 39.364 39.000 -0.546 0.000 1.201 343 F HN -0.227 nan 8.300 nan 0.000 0.489 344 P HA -0.082 nan 4.420 nan 0.000 0.221 344 P C -0.316 176.973 177.300 -0.019 0.000 1.145 344 P CA 1.040 64.131 63.100 -0.016 0.000 0.795 344 P CB 0.388 32.104 31.700 0.027 0.000 0.775 345 S N -1.196 114.546 115.700 0.070 0.000 2.627 345 S HA 0.285 4.756 4.470 0.000 0.000 0.283 345 S C 0.887 175.558 174.600 0.119 0.000 1.127 345 S CA -0.290 57.955 58.200 0.075 0.000 0.863 345 S CB 1.718 64.988 63.200 0.117 0.000 1.121 345 S HN 0.059 nan 8.310 nan 0.000 0.479 346 S N 0.338 116.107 115.700 0.115 0.000 2.522 346 S HA -0.062 4.408 4.470 0.000 0.000 0.227 346 S C 1.428 176.121 174.600 0.154 0.000 0.986 346 S CA 0.793 59.084 58.200 0.153 0.000 0.929 346 S CB -0.457 62.848 63.200 0.175 0.000 0.769 346 S HN 0.744 nan 8.310 nan 0.000 0.529 347 S N -0.571 115.211 115.700 0.136 0.000 2.593 347 S HA 0.205 4.675 4.470 0.000 0.000 0.217 347 S C 0.178 174.830 174.600 0.087 0.000 0.966 347 S CA -0.746 57.510 58.200 0.094 0.000 0.914 347 S CB -0.840 62.394 63.200 0.057 0.000 0.776 347 S HN 0.525 nan 8.310 nan 0.000 0.523 348 Y N 4.816 125.129 120.300 0.022 0.000 2.610 348 Y HA 0.265 4.815 4.550 0.000 0.000 0.332 348 Y C -1.986 173.863 175.900 -0.085 0.000 1.201 348 Y CA -1.861 56.204 58.100 -0.058 0.000 1.465 348 Y CB 0.428 38.843 38.460 -0.075 0.000 1.283 348 Y HN 0.179 nan 8.280 nan 0.000 0.563 349 P HA 0.089 nan 4.420 nan 0.000 0.271 349 P C -1.072 176.197 177.300 -0.053 0.000 1.220 349 P CA 0.175 63.160 63.100 -0.192 0.000 0.768 349 P CB 0.864 32.382 31.700 -0.304 0.000 0.848 350 L N 5.467 126.710 121.223 0.034 0.000 2.357 350 L HA 0.400 4.740 4.340 0.000 0.000 0.273 350 L C -1.704 175.123 176.870 -0.071 0.000 1.080 350 L CA -2.207 52.687 54.840 0.090 0.000 0.803 350 L CB 0.925 43.088 42.059 0.174 0.000 1.174 350 L HN 0.260 nan 8.230 nan 0.000 0.443 351 P HA 0.122 nan 4.420 nan 0.000 0.282 351 P C -0.840 176.350 177.300 -0.184 0.000 1.262 351 P CA -0.451 62.433 63.100 -0.360 0.000 0.773 351 P CB 0.764 31.899 31.700 -0.940 0.000 0.879 352 N N 0.662 119.306 118.700 -0.093 0.000 2.280 352 N HA 0.023 4.763 4.740 0.000 0.000 0.192 352 N C 0.116 175.618 175.510 -0.014 0.000 1.109 352 N CA -0.309 52.722 53.050 -0.032 0.000 0.855 352 N CB 0.093 38.572 38.487 -0.014 0.000 0.974 352 N HN 0.345 nan 8.380 nan 0.000 0.482 353 S N -1.635 114.053 115.700 -0.020 0.000 2.720 353 S HA 0.541 5.011 4.470 0.000 0.000 0.287 353 S C -0.271 174.355 174.600 0.044 0.000 1.168 353 S CA -0.713 57.495 58.200 0.012 0.000 0.832 353 S CB 0.541 63.753 63.200 0.020 0.000 1.166 353 S HN 0.252 nan 8.310 nan 0.000 0.493 354 T N 0.022 114.595 114.554 0.033 0.000 2.932 354 T HA 0.503 4.853 4.350 0.000 0.000 0.312 354 T C -0.225 174.521 174.700 0.076 0.000 1.071 354 T CA -0.316 61.790 62.100 0.010 0.000 1.128 354 T CB -0.686 68.129 68.868 -0.088 0.000 0.984 354 T HN 1.220 nan 8.240 nan 0.000 0.549 355 F N -0.879 118.912 119.950 -0.265 0.000 2.685 355 F HA 0.809 5.337 4.527 0.000 0.000 0.315 355 F C -1.084 174.512 175.800 -0.341 0.000 1.126 355 F CA -1.730 56.132 58.000 -0.231 0.000 0.950 355 F CB 1.029 39.956 39.000 -0.122 0.000 1.360 355 F HN 0.827 nan 8.300 nan 0.000 0.469 356 A N 1.085 123.704 122.820 -0.335 0.000 2.331 356 A HA 0.593 4.914 4.320 0.000 0.000 0.320 356 A C -2.036 175.568 177.584 0.033 0.000 1.138 356 A CA -0.637 51.111 52.037 -0.480 0.000 0.790 356 A CB 0.538 19.210 19.000 -0.546 0.000 1.206 356 A HN 0.996 nan 8.150 nan 0.000 0.470 357 H N 1.873 120.896 119.070 -0.079 0.000 2.673 357 H HA 0.570 5.126 4.556 0.001 0.000 0.293 357 H C -1.655 173.775 175.328 0.170 0.000 1.065 357 H CA -0.616 55.598 56.048 0.275 0.000 1.236 357 H CB 0.007 30.049 29.762 0.466 0.000 1.389 357 H HN 0.441 nan 8.280 nan 0.000 0.481 358 F N 4.016 124.029 119.950 0.104 0.000 2.413 358 F HA 0.455 4.982 4.527 0.000 0.000 0.359 358 F C 0.598 176.409 175.800 0.018 0.000 1.122 358 F CA -0.219 57.842 58.000 0.102 0.000 1.160 358 F CB 0.732 39.776 39.000 0.073 0.000 1.146 358 F HN 0.607 nan 8.300 nan 0.000 0.514 359 A N 2.631 125.581 122.820 0.217 0.000 2.325 359 A HA 0.720 5.040 4.320 0.000 0.000 0.333 359 A C -0.432 177.387 177.584 0.392 0.000 1.155 359 A CA -0.587 51.588 52.037 0.231 0.000 0.814 359 A CB 1.401 20.502 19.000 0.169 0.000 1.206 359 A HN 0.535 nan 8.150 nan 0.000 0.482 360 S N 0.854 116.776 115.700 0.370 0.000 2.647 360 S HA 0.485 4.956 4.470 0.000 0.000 0.300 360 S C -0.790 173.969 174.600 0.264 0.000 1.129 360 S CA -0.628 57.750 58.200 0.298 0.000 1.029 360 S CB 0.617 63.913 63.200 0.160 0.000 1.007 360 S HN 0.712 nan 8.310 nan 0.000 0.484 361 K N 4.579 125.028 120.400 0.082 0.000 2.265 361 K HA 0.544 4.864 4.320 0.000 0.000 0.267 361 K C -0.895 175.622 176.600 -0.138 0.000 0.994 361 K CA -0.620 55.573 56.287 -0.158 0.000 0.860 361 K CB 1.121 33.152 32.500 -0.782 0.000 1.099 361 K HN 0.477 nan 8.250 nan 0.000 0.448 362 V N 3.795 123.697 119.914 -0.019 0.000 2.614 362 V HA 0.174 4.295 4.120 0.000 0.000 0.291 362 V C 0.614 176.643 176.094 -0.110 0.000 1.049 362 V CA -0.409 61.897 62.300 0.009 0.000 1.038 362 V CB 0.938 32.875 31.823 0.191 0.000 0.980 362 V HN 0.983 nan 8.190 nan 0.000 0.481 363 A N 4.121 126.785 122.820 -0.261 0.000 2.448 363 A HA 0.625 4.946 4.320 0.000 0.000 0.239 363 A C 1.281 178.885 177.584 0.033 0.000 1.080 363 A CA 0.715 52.635 52.037 -0.195 0.000 0.779 363 A CB -0.253 18.589 19.000 -0.263 0.000 1.026 363 A HN 2.018 nan 8.150 nan 0.000 0.499 364 G N 0.703 109.545 108.800 0.071 0.000 3.076 364 G HA2 -0.151 3.809 3.960 0.000 0.000 0.256 364 G HA3 -0.151 3.809 3.960 0.000 0.000 0.256 364 G C -2.645 172.516 174.900 0.434 0.000 1.589 364 G CA 0.048 45.232 45.100 0.141 0.000 1.044 364 G HN 1.039 nan 8.290 nan 0.000 0.563 365 P HA 0.555 nan 4.420 nan 0.000 0.283 365 P C 0.950 178.581 177.300 0.553 0.000 1.271 365 P CA -0.612 62.713 63.100 0.376 0.000 0.841 365 P CB 1.374 33.242 31.700 0.281 0.000 1.122 366 L N -0.391 121.057 121.223 0.376 0.000 2.179 366 L HA -0.000 4.340 4.340 0.000 0.000 0.208 366 L C 1.328 178.455 176.870 0.429 0.000 1.096 366 L CA 0.992 56.097 54.840 0.440 0.000 0.779 366 L CB -0.558 41.638 42.059 0.229 0.000 0.922 366 L HN 0.344 nan 8.230 nan 0.000 0.443 367 S N -0.426 115.422 115.700 0.246 0.000 2.576 367 S HA 0.312 4.782 4.470 0.000 0.000 0.276 367 S C -0.656 173.946 174.600 0.003 0.000 1.339 367 S CA -0.254 57.976 58.200 0.050 0.000 1.039 367 S CB 0.491 63.684 63.200 -0.012 0.000 0.902 367 S HN 0.250 nan 8.310 nan 0.000 0.516 368 Y N -1.344 118.849 120.300 -0.179 0.000 2.656 368 Y HA 0.831 5.381 4.550 0.000 0.000 0.334 368 Y C -0.063 175.722 175.900 -0.191 0.000 1.179 368 Y CA -1.052 56.831 58.100 -0.361 0.000 1.050 368 Y CB 0.677 38.672 38.460 -0.775 0.000 1.308 368 Y HN 0.724 nan 8.280 nan 0.000 0.456 369 G N 0.320 109.148 108.800 0.046 0.000 3.195 369 G HA2 0.692 4.652 3.960 0.000 0.000 0.217 369 G HA3 0.692 4.652 3.960 0.000 0.000 0.217 369 G C -1.271 173.612 174.900 -0.030 0.000 1.166 369 G CA -0.560 44.506 45.100 -0.057 0.000 0.812 369 G HN 1.373 nan 8.290 nan 0.000 0.617 370 S N -1.741 113.874 115.700 -0.142 0.000 2.651 370 S HA 0.744 5.214 4.470 0.000 0.000 0.279 370 S C -1.374 173.101 174.600 -0.208 0.000 1.148 370 S CA -0.687 57.417 58.200 -0.160 0.000 0.837 370 S CB 1.712 64.807 63.200 -0.175 0.000 1.138 370 S HN 1.124 nan 8.310 nan 0.000 0.478 371 L N 1.809 122.918 121.223 -0.191 0.000 2.341 371 L HA 0.837 5.177 4.340 0.000 0.000 0.278 371 L C -0.730 176.021 176.870 -0.199 0.000 1.005 371 L CA -0.101 54.625 54.840 -0.190 0.000 0.818 371 L CB 1.934 43.903 42.059 -0.150 0.000 1.259 371 L HN 1.141 nan 8.230 nan 0.000 0.418 372 T N 1.977 116.437 114.554 -0.158 0.000 2.906 372 T HA 0.532 4.882 4.350 0.000 0.000 0.295 372 T C -0.290 174.413 174.700 0.005 0.000 1.061 372 T CA -0.904 61.128 62.100 -0.113 0.000 1.000 372 T CB 1.392 70.210 68.868 -0.083 0.000 1.103 372 T HN 0.492 nan 8.240 nan 0.000 0.486 373 L N 1.819 123.127 121.223 0.141 0.000 2.439 373 L HA 0.391 4.731 4.340 0.000 0.000 0.269 373 L C 1.501 178.411 176.870 0.066 0.000 1.179 373 L CA -0.505 54.396 54.840 0.101 0.000 0.828 373 L CB 0.584 42.725 42.059 0.136 0.000 1.106 373 L HN 0.799 nan 8.230 nan 0.000 0.467 374 K N 0.239 120.655 120.400 0.028 0.000 2.360 374 K HA 0.126 4.447 4.320 0.000 0.000 0.196 374 K C 0.132 176.739 176.600 0.012 0.000 1.049 374 K CA 0.128 56.425 56.287 0.017 0.000 1.049 374 K CB 0.866 33.369 32.500 0.006 0.000 0.881 374 K HN 0.528 nan 8.250 nan 0.000 0.542 375 S N 0.062 115.770 115.700 0.013 0.000 2.575 375 S HA 0.128 4.598 4.470 0.000 0.000 0.278 375 S C 0.412 175.014 174.600 0.004 0.000 1.139 375 S CA -0.717 57.486 58.200 0.005 0.000 0.954 375 S CB 1.587 64.790 63.200 0.005 0.000 1.054 375 S HN 0.175 nan 8.310 nan 0.000 0.483 376 S N 2.636 118.330 115.700 -0.011 0.000 2.603 376 S HA 0.071 4.542 4.470 0.000 0.000 0.220 376 S C 1.158 175.753 174.600 -0.008 0.000 0.967 376 S CA 0.763 58.950 58.200 -0.022 0.000 0.920 376 S CB -0.215 62.954 63.200 -0.052 0.000 0.773 376 S HN 0.955 nan 8.310 nan 0.000 0.529 377 S N -0.178 115.522 115.700 0.000 0.000 2.692 377 S HA 0.278 4.748 4.470 0.000 0.000 0.269 377 S C 0.108 174.715 174.600 0.012 0.000 1.080 377 S CA -0.430 57.773 58.200 0.006 0.000 1.058 377 S CB -0.479 62.723 63.200 0.002 0.000 0.982 377 S HN 0.316 nan 8.310 nan 0.000 0.534 378 N N 2.239 120.945 118.700 0.010 0.000 2.462 378 N HA 0.284 5.024 4.740 0.000 0.000 0.242 378 N C 0.572 176.091 175.510 0.014 0.000 1.010 378 N CA -0.046 53.012 53.050 0.013 0.000 0.939 378 N CB 1.562 40.055 38.487 0.010 0.000 1.127 378 N HN 0.136 nan 8.380 nan 0.000 0.509 379 V N 5.013 124.939 119.914 0.019 0.000 3.141 379 V HA -0.026 4.095 4.120 0.000 0.000 0.265 379 V C 1.768 177.871 176.094 0.015 0.000 1.126 379 V CA 1.458 63.769 62.300 0.019 0.000 1.141 379 V CB -0.308 31.530 31.823 0.026 0.000 0.743 379 V HN 0.578 nan 8.190 nan 0.000 0.492 380 R N -0.819 119.691 120.500 0.016 0.000 2.299 380 R HA 0.146 4.486 4.340 0.000 0.000 0.197 380 R C 0.385 176.690 176.300 0.008 0.000 0.971 380 R CA 0.060 56.169 56.100 0.015 0.000 1.030 380 R CB 0.289 30.600 30.300 0.018 0.000 0.932 380 R HN 0.367 nan 8.270 nan 0.000 0.477 381 V N 2.048 121.965 119.914 0.005 0.000 2.385 381 V HA 0.070 4.191 4.120 0.000 0.000 0.269 381 V C 0.273 176.362 176.094 -0.009 0.000 1.043 381 V CA -0.247 62.054 62.300 0.002 0.000 0.906 381 V CB 1.461 33.286 31.823 0.004 0.000 0.995 381 V HN 0.158 nan 8.190 nan 0.000 0.467 382 S N 7.961 123.653 115.700 -0.013 0.000 2.552 382 S HA 0.139 4.609 4.470 0.000 0.000 0.289 382 S C -2.090 172.477 174.600 -0.056 0.000 1.304 382 S CA -0.383 57.791 58.200 -0.043 0.000 1.063 382 S CB 0.391 63.574 63.200 -0.027 0.000 0.848 382 S HN 0.599 nan 8.310 nan 0.000 0.499 383 P HA 0.197 nan 4.420 nan 0.000 0.274 383 P C -0.399 176.835 177.300 -0.111 0.000 1.246 383 P CA -0.628 62.419 63.100 -0.089 0.000 0.795 383 P CB 0.500 32.134 31.700 -0.111 0.000 1.006 384 N N 0.190 118.837 118.700 -0.088 0.000 2.499 384 N HA 0.363 5.103 4.740 0.000 0.000 0.281 384 N C -0.890 174.519 175.510 -0.168 0.000 1.098 384 N CA -0.127 52.869 53.050 -0.090 0.000 0.979 384 N CB 0.956 39.410 38.487 -0.054 0.000 1.121 384 N HN 0.158 nan 8.380 nan 0.000 0.466 385 V N -0.822 118.963 119.914 -0.214 0.000 2.760 385 V HA 0.604 4.725 4.120 0.000 0.000 0.309 385 V C -0.550 175.258 176.094 -0.476 0.000 1.077 385 V CA -0.949 61.115 62.300 -0.393 0.000 0.910 385 V CB 2.110 33.613 31.823 -0.534 0.000 1.008 385 V HN 0.547 nan 8.190 nan 0.000 0.424 386 K N 2.786 122.856 120.400 -0.550 0.000 2.427 386 K HA 0.658 4.978 4.320 0.000 0.000 0.252 386 K C -0.930 175.324 176.600 -0.576 0.000 0.931 386 K CA -0.738 55.276 56.287 -0.453 0.000 0.793 386 K CB 2.146 34.512 32.500 -0.223 0.000 1.211 386 K HN 0.684 nan 8.250 nan 0.000 0.426 387 F N 1.178 120.984 119.950 -0.241 0.000 2.717 387 F HA 0.169 4.696 4.527 0.000 0.000 0.297 387 F C 0.346 175.872 175.800 -0.457 0.000 1.113 387 F CA -0.671 57.081 58.000 -0.414 0.000 1.319 387 F CB 0.510 39.076 39.000 -0.724 0.000 1.097 387 F HN 0.587 nan 8.300 nan 0.000 0.595 388 N N 0.767 119.346 118.700 -0.202 0.000 2.727 388 N HA -0.251 4.490 4.740 0.000 0.000 0.251 388 N C -0.968 174.476 175.510 -0.111 0.000 1.040 388 N CA 0.464 53.438 53.050 -0.127 0.000 0.712 388 N CB -1.980 36.414 38.487 -0.154 0.000 0.912 388 N HN 0.340 nan 8.380 nan 0.000 0.545 389 Y N -0.224 120.074 120.300 -0.003 0.000 2.895 389 Y HA -0.137 4.413 4.550 0.000 0.000 0.334 389 Y C 1.422 177.257 175.900 -0.109 0.000 1.261 389 Y CA 0.747 58.742 58.100 -0.175 0.000 1.560 389 Y CB -0.086 38.241 38.460 -0.222 0.000 1.253 389 Y HN 0.263 nan 8.280 nan 0.000 0.582 390 Y N -0.456 119.956 120.300 0.187 0.000 4.409 390 Y HA -0.396 4.155 4.550 0.000 0.000 0.228 390 Y C 1.881 177.812 175.900 0.053 0.000 1.108 390 Y CA 0.359 58.521 58.100 0.105 0.000 1.955 390 Y CB -1.754 36.764 38.460 0.097 0.000 1.615 390 Y HN 0.731 nan 8.280 nan 0.000 0.665 391 S N -0.695 115.075 115.700 0.116 0.000 2.402 391 S HA -0.115 4.355 4.470 0.000 0.000 0.229 391 S C 0.712 175.338 174.600 0.044 0.000 1.021 391 S CA 0.861 59.089 58.200 0.046 0.000 0.974 391 S CB 0.018 63.190 63.200 -0.046 0.000 0.800 391 S HN 0.521 nan 8.310 nan 0.000 0.484 392 N N 1.339 120.076 118.700 0.062 0.000 2.414 392 N HA 0.249 4.989 4.740 0.000 0.000 0.256 392 N C 0.639 176.200 175.510 0.085 0.000 1.029 392 N CA -0.204 52.883 53.050 0.062 0.000 0.948 392 N CB 1.007 39.539 38.487 0.074 0.000 1.102 392 N HN 0.281 nan 8.380 nan 0.000 0.496 393 L N 2.404 123.656 121.223 0.049 0.000 2.265 393 L HA -0.133 4.207 4.340 0.000 0.000 0.215 393 L C 1.927 178.783 176.870 -0.023 0.000 1.117 393 L CA 0.924 55.781 54.840 0.028 0.000 0.782 393 L CB -0.335 41.730 42.059 0.009 0.000 0.914 393 L HN 0.525 nan 8.230 nan 0.000 0.441 394 T N -1.138 113.380 114.554 -0.060 0.000 2.867 394 T HA -0.139 4.211 4.350 0.000 0.000 0.268 394 T C 1.403 175.897 174.700 -0.344 0.000 1.057 394 T CA 1.131 63.096 62.100 -0.225 0.000 1.136 394 T CB -0.137 68.611 68.868 -0.201 0.000 0.874 394 T HN 0.311 nan 8.240 nan 0.000 0.466 395 D N 0.983 121.353 120.400 -0.051 0.000 2.144 395 D HA -0.031 4.610 4.640 0.000 0.000 0.199 395 D C 1.994 178.457 176.300 0.270 0.000 0.984 395 D CA 0.529 54.617 54.000 0.147 0.000 0.834 395 D CB -0.367 40.598 40.800 0.275 0.000 0.955 395 D HN 0.193 nan 8.370 nan 0.000 0.465 396 L N 0.605 121.938 121.223 0.184 0.000 2.017 396 L HA -0.119 4.221 4.340 0.000 0.000 0.208 396 L C 2.299 179.126 176.870 -0.072 0.000 1.073 396 L CA 1.565 56.343 54.840 -0.104 0.000 0.745 396 L CB -0.959 41.016 42.059 -0.140 0.000 0.894 396 L HN -0.089 nan 8.230 nan 0.000 0.432 397 S N -1.387 114.279 115.700 -0.057 0.000 2.370 397 S HA -0.273 4.198 4.470 0.000 0.000 0.226 397 S C 2.010 176.672 174.600 0.103 0.000 1.033 397 S CA 1.696 59.883 58.200 -0.021 0.000 1.011 397 S CB -0.541 62.623 63.200 -0.059 0.000 0.852 397 S HN 0.748 nan 8.310 nan 0.000 0.457 398 H N -0.928 118.191 119.070 0.081 0.000 2.389 398 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 398 H C 2.684 178.067 175.328 0.092 0.000 1.081 398 H CA 1.090 57.219 56.048 0.135 0.000 1.345 398 H CB -0.263 29.588 29.762 0.148 0.000 1.393 398 H HN 0.562 nan 8.280 nan 0.000 0.520 399 c N 0.537 119.255 118.600 0.195 0.000 2.446 399 c HA -0.100 4.470 4.570 0.000 0.000 0.277 399 c C 2.742 176.839 174.090 0.012 0.000 1.275 399 c CA 0.625 57.017 56.329 0.104 0.000 1.727 399 c CB -1.072 41.473 42.510 0.057 0.000 2.010 399 c HN 0.326 nan 8.230 nan 0.000 0.486 400 V N 1.075 120.994 119.914 0.008 0.000 2.295 400 V HA -0.180 3.940 4.120 0.000 0.000 0.246 400 V C 2.755 178.767 176.094 -0.137 0.000 1.049 400 V CA 2.611 64.911 62.300 -0.000 0.000 1.024 400 V CB -0.950 30.857 31.823 -0.027 0.000 0.648 400 V HN 0.637 nan 8.190 nan 0.000 0.447 401 S N 0.452 116.086 115.700 -0.110 0.000 2.368 401 S HA -0.132 4.339 4.470 0.000 0.000 0.225 401 S C 2.062 176.344 174.600 -0.530 0.000 1.030 401 S CA 1.363 59.475 58.200 -0.147 0.000 0.999 401 S CB -0.716 62.573 63.200 0.147 0.000 0.844 401 S HN 0.705 nan 8.310 nan 0.000 0.459 402 G N 1.705 109.957 108.800 -0.913 0.000 2.421 402 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 402 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 402 G C 1.293 175.828 174.900 -0.608 0.000 1.171 402 G CA 0.874 45.034 45.100 -1.566 0.000 0.775 402 G HN 0.320 nan 8.290 nan 0.000 0.543 403 M N 0.465 119.921 119.600 -0.240 0.000 2.319 403 M HA 0.117 4.598 4.480 0.000 0.000 0.265 403 M C 2.260 178.570 176.300 0.017 0.000 1.068 403 M CA 0.757 56.036 55.300 -0.034 0.000 1.118 403 M CB -0.718 31.949 32.600 0.111 0.000 1.395 403 M HN 0.214 nan 8.290 nan 0.000 0.435 404 K N -0.034 120.283 120.400 -0.138 0.000 2.097 404 K HA -0.167 4.153 4.320 0.000 0.000 0.205 404 K C 2.054 178.577 176.600 -0.129 0.000 1.050 404 K CA 0.984 57.135 56.287 -0.227 0.000 0.938 404 K CB -0.050 32.196 32.500 -0.424 0.000 0.718 404 K HN 0.006 nan 8.250 nan 0.000 0.442 405 K N 1.433 121.743 120.400 -0.150 0.000 2.097 405 K HA -0.068 4.252 4.320 0.000 0.000 0.205 405 K C 1.761 178.347 176.600 -0.024 0.000 1.050 405 K CA 1.031 57.294 56.287 -0.039 0.000 0.938 405 K CB -0.115 32.414 32.500 0.048 0.000 0.718 405 K HN -0.033 nan 8.250 nan 0.000 0.442 406 I N 0.668 121.203 120.570 -0.059 0.000 2.286 406 I HA -0.127 4.043 4.170 0.000 0.000 0.248 406 I C 2.211 178.239 176.117 -0.148 0.000 1.115 406 I CA 1.663 62.912 61.300 -0.085 0.000 1.392 406 I CB -1.651 36.312 38.000 -0.062 0.000 1.065 406 I HN 0.370 nan 8.210 nan 0.000 0.418 407 G N 0.408 109.156 108.800 -0.087 0.000 2.422 407 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 407 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 407 G C 1.589 176.454 174.900 -0.058 0.000 1.146 407 G CA 0.416 45.479 45.100 -0.062 0.000 0.769 407 G HN 0.429 nan 8.290 nan 0.000 0.547 408 E N -0.282 119.888 120.200 -0.051 0.000 2.051 408 E HA -0.081 4.270 4.350 0.000 0.000 0.192 408 E C 2.541 179.111 176.600 -0.051 0.000 0.991 408 E CA 0.588 56.969 56.400 -0.032 0.000 0.799 408 E CB -0.160 29.533 29.700 -0.013 0.000 0.748 408 E HN 0.284 nan 8.360 nan 0.000 0.449 409 L N 0.702 121.863 121.223 -0.105 0.000 2.042 409 L HA -0.216 4.124 4.340 0.000 0.000 0.210 409 L C 2.296 179.051 176.870 -0.191 0.000 1.076 409 L CA 1.433 56.164 54.840 -0.182 0.000 0.749 409 L CB -0.450 41.410 42.059 -0.332 0.000 0.893 409 L HN 0.152 nan 8.230 nan 0.000 0.432 410 L N -1.567 119.513 121.223 -0.239 0.000 2.265 410 L HA -0.160 4.180 4.340 0.000 0.000 0.215 410 L C 1.899 178.872 176.870 0.171 0.000 1.117 410 L CA 0.795 55.562 54.840 -0.123 0.000 0.782 410 L CB -0.425 41.502 42.059 -0.220 0.000 0.914 410 L HN 0.196 nan 8.230 nan 0.000 0.441 411 S N -1.442 114.299 115.700 0.068 0.000 2.556 411 S HA 0.020 4.490 4.470 0.000 0.000 0.216 411 S C 0.919 175.553 174.600 0.057 0.000 0.970 411 S CA 0.043 58.288 58.200 0.075 0.000 0.912 411 S CB -0.168 63.055 63.200 0.038 0.000 0.790 411 S HN 0.544 nan 8.310 nan 0.000 0.504 412 T N 0.385 114.972 114.554 0.054 0.000 2.868 412 T HA 0.203 4.553 4.350 0.000 0.000 0.292 412 T C 0.500 175.239 174.700 0.065 0.000 1.028 412 T CA -0.497 61.631 62.100 0.047 0.000 1.059 412 T CB 0.584 69.471 68.868 0.031 0.000 0.991 412 T HN -0.142 nan 8.240 nan 0.000 0.531 413 D N 1.220 121.650 120.400 0.051 0.000 2.178 413 D HA -0.041 4.599 4.640 0.000 0.000 0.201 413 D C 2.342 178.686 176.300 0.074 0.000 0.980 413 D CA 1.548 55.577 54.000 0.048 0.000 0.842 413 D CB -0.783 40.038 40.800 0.035 0.000 0.948 413 D HN 0.764 nan 8.370 nan 0.000 0.472 414 A N 0.508 123.377 122.820 0.081 0.000 1.940 414 A HA -0.137 4.183 4.320 0.000 0.000 0.219 414 A C 2.174 179.889 177.584 0.218 0.000 1.176 414 A CA 1.049 53.150 52.037 0.107 0.000 0.631 414 A CB -0.575 18.456 19.000 0.053 0.000 0.814 414 A HN 0.272 nan 8.150 nan 0.000 0.446 415 L N -1.522 119.847 121.223 0.244 0.000 2.585 415 L HA 0.035 4.375 4.340 0.000 0.000 0.226 415 L C 1.992 179.124 176.870 0.437 0.000 1.113 415 L CA 0.189 55.312 54.840 0.473 0.000 0.876 415 L CB -0.257 42.054 42.059 0.420 0.000 1.072 415 L HN 0.344 nan 8.230 nan 0.000 0.468 416 K N 0.966 121.478 120.400 0.187 0.000 2.074 416 K HA -0.186 4.134 4.320 0.000 0.000 0.209 416 K C -0.546 176.025 176.600 -0.048 0.000 1.048 416 K CA 1.490 57.790 56.287 0.022 0.000 0.926 416 K CB -1.096 31.399 32.500 -0.009 0.000 0.713 416 K HN 0.266 nan 8.250 nan 0.000 0.444 417 P HA -0.138 nan 4.420 nan 0.000 0.228 417 P C 0.152 177.160 177.300 -0.486 0.000 1.151 417 P CA 1.140 64.036 63.100 -0.341 0.000 0.770 417 P CB 0.021 31.428 31.700 -0.489 0.000 0.786 418 Y N -1.276 119.136 120.300 0.186 0.000 2.524 418 Y HA 0.218 4.768 4.550 0.000 0.000 0.266 418 Y C 0.931 176.953 175.900 0.204 0.000 1.180 418 Y CA -0.318 57.949 58.100 0.278 0.000 1.244 418 Y CB -0.093 38.669 38.460 0.503 0.000 1.125 418 Y HN -0.197 nan 8.280 nan 0.000 0.524 419 K N 0.338 120.704 120.400 -0.057 0.000 2.098 419 K HA 0.265 4.585 4.320 0.000 0.000 0.261 419 K C 1.068 177.601 176.600 -0.111 0.000 0.987 419 K CA -0.090 55.993 56.287 -0.341 0.000 0.916 419 K CB 2.028 34.151 32.500 -0.630 0.000 1.039 419 K HN 0.019 nan 8.250 nan 0.000 0.455 420 V N -1.872 118.001 119.914 -0.068 0.000 3.174 420 V HA 0.113 4.233 4.120 0.000 0.000 0.254 420 V C 0.468 176.532 176.094 -0.049 0.000 1.120 420 V CA 0.644 62.932 62.300 -0.021 0.000 1.114 420 V CB -0.271 31.567 31.823 0.024 0.000 0.756 420 V HN 0.779 nan 8.190 nan 0.000 0.467 421 E N 0.484 120.631 120.200 -0.087 0.000 2.292 421 E HA 0.217 4.567 4.350 0.000 0.000 0.272 421 E C -1.390 175.144 176.600 -0.110 0.000 0.881 421 E CA -0.679 55.675 56.400 -0.077 0.000 0.754 421 E CB 1.796 31.465 29.700 -0.052 0.000 1.201 421 E HN 0.229 nan 8.360 nan 0.000 0.425 422 D N 5.240 125.588 120.400 -0.086 0.000 2.489 422 D HA 0.154 4.794 4.640 0.000 0.000 0.237 422 D C -0.762 175.492 176.300 -0.076 0.000 1.212 422 D CA 0.374 54.321 54.000 -0.088 0.000 1.058 422 D CB -0.262 40.500 40.800 -0.064 0.000 1.098 422 D HN 0.354 nan 8.370 nan 0.000 0.509 423 L N 3.581 124.747 121.223 -0.096 0.000 2.301 423 L HA 0.538 4.878 4.340 0.000 0.000 0.264 423 L C -2.031 174.801 176.870 -0.063 0.000 1.016 423 L CA -2.014 52.786 54.840 -0.067 0.000 0.821 423 L CB 2.369 44.394 42.059 -0.057 0.000 1.346 423 L HN 0.140 nan 8.230 nan 0.000 0.429 424 P HA 0.136 nan 4.420 nan 0.000 0.274 424 P C 0.383 177.683 177.300 0.000 0.000 1.237 424 P CA 0.410 63.499 63.100 -0.017 0.000 0.793 424 P CB 1.016 32.710 31.700 -0.010 0.000 0.977 425 G N 1.521 110.329 108.800 0.014 0.000 2.684 425 G HA2 -0.363 3.598 3.960 0.000 0.000 0.332 425 G HA3 -0.363 3.598 3.960 0.000 0.000 0.332 425 G C 1.048 175.999 174.900 0.086 0.000 1.306 425 G CA 1.474 46.597 45.100 0.038 0.000 1.002 425 G HN 0.633 nan 8.290 nan 0.000 0.545 426 V N -0.972 118.997 119.914 0.090 0.000 3.510 426 V HA 0.424 4.544 4.120 0.000 0.000 0.270 426 V C 0.909 177.128 176.094 0.207 0.000 1.201 426 V CA 1.974 64.365 62.300 0.151 0.000 1.166 426 V CB -0.449 31.406 31.823 0.054 0.000 0.825 426 V HN 0.560 nan 8.190 nan 0.000 0.484 427 E N 0.213 120.478 120.200 0.108 0.000 2.283 427 E HA 0.615 4.965 4.350 0.000 0.000 0.271 427 E C 1.005 177.595 176.600 -0.017 0.000 1.031 427 E CA 0.303 56.745 56.400 0.072 0.000 0.868 427 E CB 1.315 31.030 29.700 0.024 0.000 1.094 427 E HN 0.367 nan 8.360 nan 0.000 0.401 428 G N 1.369 110.153 108.800 -0.028 0.000 2.211 428 G HA2 -0.220 3.740 3.960 0.000 0.000 0.201 428 G HA3 -0.220 3.740 3.960 0.000 0.000 0.201 428 G C -0.247 174.541 174.900 -0.187 0.000 0.997 428 G CA -0.641 44.370 45.100 -0.149 0.000 0.652 428 G HN 0.370 nan 8.290 nan 0.000 0.500 429 F N 1.088 121.064 119.950 0.043 0.000 2.378 429 F HA 0.472 4.999 4.527 0.000 0.000 0.325 429 F C 0.866 176.704 175.800 0.063 0.000 1.097 429 F CA -0.603 57.440 58.000 0.071 0.000 1.079 429 F CB 1.087 40.139 39.000 0.087 0.000 1.240 429 F HN 0.055 nan 8.300 nan 0.000 0.519 430 N N 2.853 121.732 118.700 0.299 0.000 2.521 430 N HA 0.215 4.956 4.740 0.000 0.000 0.236 430 N C -1.149 174.477 175.510 0.192 0.000 1.067 430 N CA -0.418 52.741 53.050 0.181 0.000 0.939 430 N CB 0.252 38.824 38.487 0.141 0.000 1.201 430 N HN 0.303 nan 8.380 nan 0.000 0.511 431 I N 3.462 124.126 120.570 0.156 0.000 2.396 431 I HA 0.195 4.365 4.170 0.000 0.000 0.292 431 I C 0.071 176.244 176.117 0.094 0.000 0.999 431 I CA -0.722 60.661 61.300 0.138 0.000 1.310 431 I CB 1.110 39.179 38.000 0.115 0.000 1.404 431 I HN 0.506 nan 8.210 nan 0.000 0.496 432 L N 6.472 127.766 121.223 0.118 0.000 2.265 432 L HA 0.750 5.090 4.340 0.000 0.000 0.289 432 L C 0.273 177.196 176.870 0.087 0.000 1.033 432 L CA 0.675 55.545 54.840 0.050 0.000 0.814 432 L CB 0.671 42.742 42.059 0.020 0.000 1.203 432 L HN 0.909 nan 8.230 nan 0.000 0.423 433 G N 4.319 113.076 108.800 -0.071 0.000 2.512 433 G HA2 -0.168 3.792 3.960 0.000 0.000 0.210 433 G HA3 -0.168 3.792 3.960 0.000 0.000 0.210 433 G C -0.390 174.506 174.900 -0.007 0.000 1.295 433 G CA -0.397 44.633 45.100 -0.116 0.000 0.934 433 G HN 0.720 nan 8.290 nan 0.000 0.554 434 I N 3.705 124.300 120.570 0.042 0.000 2.452 434 I HA 0.268 4.439 4.170 0.000 0.000 0.287 434 I C -1.187 175.045 176.117 0.191 0.000 1.079 434 I CA -1.243 60.095 61.300 0.063 0.000 1.387 434 I CB 0.905 38.890 38.000 -0.025 0.000 1.404 434 I HN 0.376 nan 8.210 nan 0.000 0.522 435 P HA 0.269 nan 4.420 nan 0.000 0.278 435 P C -0.509 176.728 177.300 -0.106 0.000 1.258 435 P CA -0.568 62.554 63.100 0.036 0.000 0.811 435 P CB 1.215 32.917 31.700 0.004 0.000 1.063 436 L N 1.373 122.388 121.223 -0.347 0.000 2.464 436 L HA 0.253 4.593 4.340 0.000 0.000 0.264 436 L C -1.818 174.747 176.870 -0.509 0.000 1.199 436 L CA -1.761 52.632 54.840 -0.746 0.000 0.818 436 L CB -0.421 41.262 42.059 -0.626 0.000 1.102 436 L HN 0.260 nan 8.230 nan 0.000 0.473 437 P HA 0.078 nan 4.420 nan 0.000 0.269 437 P C -0.156 177.033 177.300 -0.186 0.000 1.209 437 P CA -0.160 62.717 63.100 -0.372 0.000 0.776 437 P CB 0.626 32.065 31.700 -0.435 0.000 0.876 438 K N 0.609 120.963 120.400 -0.078 0.000 2.057 438 K HA -0.113 4.207 4.320 0.000 0.000 0.207 438 K C 0.726 177.343 176.600 0.030 0.000 1.049 438 K CA 1.087 57.361 56.287 -0.020 0.000 0.931 438 K CB -0.217 32.277 32.500 -0.011 0.000 0.714 438 K HN 0.525 nan 8.250 nan 0.000 0.440 439 D N 1.272 121.703 120.400 0.051 0.000 2.344 439 D HA -0.025 4.616 4.640 0.000 0.000 0.253 439 D C 0.554 176.962 176.300 0.180 0.000 1.255 439 D CA 0.140 54.189 54.000 0.082 0.000 0.894 439 D CB 0.897 41.734 40.800 0.062 0.000 1.067 439 D HN -0.013 nan 8.370 nan 0.000 0.492 440 Q N 1.972 121.847 119.800 0.125 0.000 2.541 440 Q HA -0.050 4.290 4.340 0.000 0.000 0.215 440 Q C 1.424 177.357 176.000 -0.112 0.000 0.977 440 Q CA 0.733 56.583 55.803 0.079 0.000 0.934 440 Q CB -0.126 28.616 28.738 0.006 0.000 0.988 440 Q HN 0.635 nan 8.270 nan 0.000 0.521 441 T N -3.911 110.621 114.554 -0.036 0.000 3.054 441 T HA 0.051 4.401 4.350 0.000 0.000 0.255 441 T C 0.442 175.121 174.700 -0.035 0.000 1.035 441 T CA -0.369 61.685 62.100 -0.078 0.000 0.941 441 T CB 0.245 69.087 68.868 -0.043 0.000 1.026 441 T HN -0.150 nan 8.240 nan 0.000 0.533 442 D N 2.303 122.739 120.400 0.060 0.000 2.508 442 D HA 0.150 4.791 4.640 0.000 0.000 0.224 442 D C 0.197 176.597 176.300 0.167 0.000 1.171 442 D CA -0.216 53.849 54.000 0.108 0.000 1.006 442 D CB 0.384 41.265 40.800 0.135 0.000 1.073 442 D HN 0.117 nan 8.370 nan 0.000 0.513 443 D N 2.135 122.564 120.400 0.050 0.000 2.123 443 D HA -0.175 4.465 4.640 0.000 0.000 0.196 443 D C 1.915 178.276 176.300 0.102 0.000 0.992 443 D CA 1.393 55.419 54.000 0.043 0.000 0.833 443 D CB -0.060 40.729 40.800 -0.019 0.000 0.954 443 D HN 0.504 nan 8.370 nan 0.000 0.455 444 A N 0.805 123.667 122.820 0.070 0.000 1.940 444 A HA -0.073 4.247 4.320 0.000 0.000 0.219 444 A C 2.288 179.914 177.584 0.070 0.000 1.176 444 A CA 2.283 54.352 52.037 0.053 0.000 0.631 444 A CB -0.753 18.266 19.000 0.032 0.000 0.814 444 A HN 0.248 nan 8.150 nan 0.000 0.446 445 A N -1.462 121.416 122.820 0.096 0.000 1.930 445 A HA 0.052 4.372 4.320 0.000 0.000 0.217 445 A C 1.916 179.528 177.584 0.046 0.000 1.175 445 A CA 1.375 53.444 52.037 0.055 0.000 0.627 445 A CB -0.665 18.354 19.000 0.032 0.000 0.815 445 A HN 0.446 nan 8.150 nan 0.000 0.443 446 F N 0.346 120.285 119.950 -0.020 0.000 2.234 446 F HA -0.073 4.455 4.527 0.001 0.000 0.299 446 F C 2.411 178.220 175.800 0.015 0.000 1.087 446 F CA 1.595 59.588 58.000 -0.013 0.000 1.340 446 F CB -0.217 38.739 39.000 -0.074 0.000 1.031 446 F HN 0.319 nan 8.300 nan 0.000 0.500 447 E N -0.657 119.623 120.200 0.134 0.000 2.077 447 E HA -0.168 4.182 4.350 0.000 0.000 0.193 447 E C 2.134 178.719 176.600 -0.026 0.000 0.989 447 E CA 1.763 58.167 56.400 0.007 0.000 0.800 447 E CB -0.311 29.382 29.700 -0.011 0.000 0.746 447 E HN 0.287 nan 8.360 nan 0.000 0.452 448 T N 0.955 115.513 114.554 0.007 0.000 2.746 448 T HA -0.160 4.190 4.350 0.000 0.000 0.267 448 T C 1.472 176.152 174.700 -0.033 0.000 1.039 448 T CA 1.012 63.103 62.100 -0.015 0.000 1.142 448 T CB -0.356 68.509 68.868 -0.004 0.000 0.866 448 T HN 0.182 nan 8.240 nan 0.000 0.444 449 F N 1.376 121.234 119.950 -0.153 0.000 2.095 449 F HA -0.188 4.339 4.527 0.000 0.000 0.298 449 F C 2.491 178.190 175.800 -0.169 0.000 1.104 449 F CA 0.882 58.764 58.000 -0.197 0.000 1.232 449 F CB -0.798 38.011 39.000 -0.317 0.000 0.987 449 F HN 0.152 nan 8.300 nan 0.000 0.475 450 c N 1.101 119.670 118.600 -0.051 0.000 2.413 450 c HA -0.194 4.377 4.570 0.000 0.000 0.276 450 c C 2.850 176.819 174.090 -0.203 0.000 1.236 450 c CA 1.528 57.751 56.329 -0.177 0.000 1.735 450 c CB -1.325 41.010 42.510 -0.292 0.000 2.031 450 c HN 0.475 nan 8.230 nan 0.000 0.474 451 R N 0.503 120.897 120.500 -0.176 0.000 2.075 451 R HA -0.090 4.251 4.340 0.000 0.000 0.232 451 R C 2.006 178.271 176.300 -0.059 0.000 1.126 451 R CA 1.246 57.330 56.100 -0.026 0.000 0.963 451 R CB -0.316 29.975 30.300 -0.016 0.000 0.858 451 R HN 0.669 nan 8.270 nan 0.000 0.435 452 E N 0.094 120.206 120.200 -0.147 0.000 2.435 452 E HA -0.048 4.302 4.350 0.000 0.000 0.195 452 E C 1.174 177.634 176.600 -0.233 0.000 1.029 452 E CA 1.046 57.354 56.400 -0.154 0.000 0.865 452 E CB 0.357 29.976 29.700 -0.134 0.000 0.833 452 E HN 0.288 nan 8.360 nan 0.000 0.510 453 S N -0.164 115.287 115.700 -0.415 0.000 2.629 453 S HA 0.123 4.594 4.470 0.000 0.000 0.236 453 S C 0.533 174.899 174.600 -0.391 0.000 1.010 453 S CA -0.529 57.367 58.200 -0.507 0.000 0.981 453 S CB 0.372 62.931 63.200 -1.068 0.000 0.919 453 S HN 0.008 nan 8.310 nan 0.000 0.514 454 V N 2.249 122.014 119.914 -0.248 0.000 2.872 454 V HA 0.609 4.729 4.120 0.000 0.000 0.307 454 V C 0.328 176.315 176.094 -0.179 0.000 1.072 454 V CA 0.773 62.963 62.300 -0.182 0.000 1.148 454 V CB 0.646 32.380 31.823 -0.149 0.000 0.954 454 V HN 0.765 nan 8.190 nan 0.000 0.490 455 A N 4.543 127.261 122.820 -0.171 0.000 2.552 455 A HA 0.788 5.108 4.320 0.000 0.000 0.288 455 A C -0.464 176.931 177.584 -0.316 0.000 1.193 455 A CA -0.127 51.797 52.037 -0.188 0.000 0.713 455 A CB 1.686 20.667 19.000 -0.031 0.000 1.305 455 A HN 1.027 nan 8.150 nan 0.000 0.424 456 S N -1.486 114.022 115.700 -0.320 0.000 2.554 456 S HA 0.447 4.917 4.470 0.000 0.000 0.278 456 S C -0.109 174.101 174.600 -0.650 0.000 1.242 456 S CA -0.196 57.846 58.200 -0.264 0.000 1.051 456 S CB 0.461 63.649 63.200 -0.019 0.000 0.986 456 S HN 0.656 nan 8.310 nan 0.000 0.502 457 Y N 3.515 123.503 120.300 -0.519 0.000 2.490 457 Y HA 0.152 4.703 4.550 0.000 0.000 0.281 457 Y C 0.245 175.762 175.900 -0.639 0.000 1.174 457 Y CA 0.479 58.110 58.100 -0.781 0.000 1.295 457 Y CB 0.148 38.277 38.460 -0.553 0.000 1.062 457 Y HN 0.855 nan 8.280 nan 0.000 0.522 458 W N -1.282 120.062 121.300 0.072 0.000 2.560 458 W HA -0.298 4.362 4.660 0.001 0.000 0.279 458 W C -0.010 176.564 176.519 0.092 0.000 1.090 458 W CA 1.106 58.555 57.345 0.173 0.000 0.535 458 W CB -2.637 26.913 29.460 0.149 0.000 2.121 458 W HN 0.437 nan 8.180 nan 0.000 1.314 459 H N 0.054 119.235 119.070 0.186 0.000 2.550 459 H HA 0.146 4.703 4.556 0.000 0.000 0.304 459 H C 1.039 176.465 175.328 0.164 0.000 1.086 459 H CA -0.215 55.894 56.048 0.102 0.000 1.089 459 H CB -0.349 29.506 29.762 0.155 0.000 1.528 459 H HN 0.047 nan 8.280 nan 0.000 0.539 460 Y N 1.199 121.737 120.300 0.396 0.000 2.683 460 Y HA 0.094 4.644 4.550 0.000 0.000 0.340 460 Y C 0.725 176.850 175.900 0.375 0.000 1.245 460 Y CA -0.584 57.643 58.100 0.211 0.000 1.485 460 Y CB 0.262 38.765 38.460 0.070 0.000 1.328 460 Y HN 0.241 nan 8.280 nan 0.000 0.603 461 H N -0.635 118.680 119.070 0.408 0.000 2.902 461 H HA 0.644 5.200 4.556 0.000 0.000 0.297 461 H C 0.123 175.637 175.328 0.312 0.000 1.406 461 H CA -1.113 55.121 56.048 0.310 0.000 1.134 461 H CB 1.142 31.068 29.762 0.273 0.000 1.833 461 H HN 1.431 nan 8.280 nan 0.000 0.527 462 G N -1.418 107.556 108.800 0.291 0.000 2.660 462 G HA2 0.301 4.261 3.960 0.000 0.000 0.247 462 G HA3 0.301 4.261 3.960 0.000 0.000 0.247 462 G C 0.640 175.645 174.900 0.175 0.000 1.328 462 G CA 1.602 46.832 45.100 0.217 0.000 0.884 462 G HN 2.014 nan 8.290 nan 0.000 0.531 463 G N -2.827 106.070 108.800 0.161 0.000 2.238 463 G HA2 0.084 4.045 3.960 0.000 0.000 0.217 463 G HA3 0.084 4.045 3.960 0.000 0.000 0.217 463 G C 1.115 176.061 174.900 0.075 0.000 0.996 463 G CA 1.627 46.789 45.100 0.103 0.000 0.632 463 G HN 2.496 nan 8.290 nan 0.000 0.503 464 C N 2.358 121.696 119.300 0.064 0.000 3.173 464 C HA 0.564 5.024 4.460 0.000 0.000 0.209 464 C C 0.615 175.590 174.990 -0.024 0.000 1.229 464 C CA -1.007 58.026 59.018 0.024 0.000 1.109 464 C CB -1.520 26.223 27.740 0.004 0.000 1.833 464 C HN 0.447 nan 8.230 nan 0.000 0.626 465 L N 2.115 123.325 121.223 -0.021 0.000 2.461 465 L HA 0.318 4.658 4.340 0.000 0.000 0.272 465 L C 0.596 177.343 176.870 -0.205 0.000 1.197 465 L CA -0.073 54.681 54.840 -0.143 0.000 0.836 465 L CB 0.581 42.544 42.059 -0.160 0.000 1.105 465 L HN 0.098 nan 8.230 nan 0.000 0.477 466 V N 2.455 122.156 119.914 -0.355 0.000 2.585 466 V HA 0.224 4.344 4.120 0.000 0.000 0.296 466 V C 1.133 177.095 176.094 -0.221 0.000 1.035 466 V CA 1.443 63.531 62.300 -0.353 0.000 1.084 466 V CB 0.592 32.111 31.823 -0.508 0.000 0.953 466 V HN 1.135 nan 8.190 nan 0.000 0.483 467 G N 4.353 113.057 108.800 -0.160 0.000 2.217 467 G HA2 -0.207 3.753 3.960 0.000 0.000 0.246 467 G HA3 -0.207 3.753 3.960 0.000 0.000 0.246 467 G C 0.869 175.701 174.900 -0.114 0.000 0.990 467 G CA 0.375 45.400 45.100 -0.124 0.000 0.627 467 G HN 0.581 nan 8.290 nan 0.000 0.522 468 K N -0.896 119.449 120.400 -0.092 0.000 2.424 468 K HA 0.499 4.819 4.320 0.000 0.000 0.200 468 K C 2.018 178.752 176.600 0.223 0.000 1.279 468 K CA 1.269 57.545 56.287 -0.019 0.000 0.918 468 K CB 0.318 32.745 32.500 -0.122 0.000 1.287 468 K HN 0.428 nan 8.250 nan 0.000 0.502 469 V N 0.868 120.856 119.914 0.123 0.000 3.371 469 V HA 0.245 4.365 4.120 0.000 0.000 0.246 469 V C 0.752 176.870 176.094 0.040 0.000 1.303 469 V CA 0.129 62.499 62.300 0.118 0.000 1.156 469 V CB 0.729 32.538 31.823 -0.022 0.000 0.929 469 V HN -0.023 nan 8.190 nan 0.000 0.459 470 L N 1.226 122.429 121.223 -0.034 0.000 2.332 470 L HA 0.591 4.932 4.340 0.000 0.000 0.269 470 L C -0.340 176.464 176.870 -0.109 0.000 1.016 470 L CA -0.812 53.984 54.840 -0.074 0.000 0.809 470 L CB 1.305 43.282 42.059 -0.137 0.000 1.280 470 L HN 0.272 nan 8.230 nan 0.000 0.447 471 D N -0.082 120.251 120.400 -0.112 0.000 2.539 471 D HA 0.164 4.804 4.640 0.000 0.000 0.276 471 D C 1.106 177.259 176.300 -0.246 0.000 1.206 471 D CA -0.413 53.511 54.000 -0.125 0.000 1.081 471 D CB 0.700 41.464 40.800 -0.059 0.000 1.142 471 D HN 0.550 nan 8.370 nan 0.000 0.595 472 G N -1.363 107.316 108.800 -0.203 0.000 2.586 472 G HA2 -0.132 3.829 3.960 0.000 0.000 0.215 472 G HA3 -0.132 3.829 3.960 0.000 0.000 0.215 472 G C 0.396 175.127 174.900 -0.281 0.000 1.128 472 G CA 0.357 45.296 45.100 -0.267 0.000 0.774 472 G HN 0.501 nan 8.290 nan 0.000 0.543 473 D N -0.382 119.922 120.400 -0.159 0.000 2.462 473 D HA 0.182 4.823 4.640 0.000 0.000 0.221 473 D C 0.341 176.768 176.300 0.212 0.000 1.173 473 D CA -0.602 53.422 54.000 0.040 0.000 0.831 473 D CB 0.139 40.963 40.800 0.039 0.000 1.001 473 D HN 0.244 nan 8.370 nan 0.000 0.499 474 F N 0.239 120.163 119.950 -0.044 0.000 2.953 474 F HA -0.279 4.249 4.527 0.000 0.000 0.292 474 F C 0.636 176.419 175.800 -0.028 0.000 0.747 474 F CA 0.356 58.329 58.000 -0.045 0.000 1.222 474 F CB -1.843 37.138 39.000 -0.031 0.000 1.457 474 F HN -0.080 nan 8.300 nan 0.000 0.383 475 R N 0.302 120.847 120.500 0.075 0.000 2.441 475 R HA 0.517 4.858 4.340 0.000 0.000 0.284 475 R C -0.062 176.264 176.300 0.044 0.000 1.070 475 R CA -0.710 55.431 56.100 0.067 0.000 1.047 475 R CB 1.179 31.511 30.300 0.054 0.000 1.016 475 R HN -0.038 nan 8.270 nan 0.000 0.477 476 V N 3.679 123.625 119.914 0.054 0.000 2.439 476 V HA -0.016 4.104 4.120 0.000 0.000 0.271 476 V C 0.840 177.000 176.094 0.110 0.000 1.040 476 V CA -0.158 62.161 62.300 0.031 0.000 1.002 476 V CB 0.707 32.535 31.823 0.008 0.000 1.000 476 V HN 0.911 nan 8.190 nan 0.000 0.477 477 T N 2.321 116.977 114.554 0.170 0.000 2.946 477 T HA 0.379 4.729 4.350 0.000 0.000 0.311 477 T C 1.353 176.180 174.700 0.213 0.000 1.063 477 T CA 0.294 62.501 62.100 0.179 0.000 1.139 477 T CB 0.977 69.941 68.868 0.161 0.000 0.994 477 T HN 1.738 nan 8.240 nan 0.000 0.547 478 G N 2.200 111.058 108.800 0.098 0.000 2.184 478 G HA2 -0.208 3.752 3.960 0.000 0.000 0.264 478 G HA3 -0.208 3.752 3.960 0.000 0.000 0.264 478 G C 0.070 175.013 174.900 0.072 0.000 0.975 478 G CA 0.265 45.400 45.100 0.058 0.000 0.642 478 G HN 0.962 nan 8.290 nan 0.000 0.536 479 I N 0.749 121.383 120.570 0.106 0.000 2.582 479 I HA 0.351 4.522 4.170 0.000 0.000 0.292 479 I C -0.708 175.480 176.117 0.119 0.000 1.066 479 I CA -1.162 60.212 61.300 0.123 0.000 1.053 479 I CB 1.885 39.989 38.000 0.173 0.000 1.241 479 I HN -0.073 nan 8.210 nan 0.000 0.421 480 N N 3.741 122.509 118.700 0.113 0.000 2.495 480 N HA 0.460 5.200 4.740 0.000 0.000 0.280 480 N C 0.586 176.148 175.510 0.087 0.000 1.168 480 N CA 0.049 53.150 53.050 0.084 0.000 0.978 480 N CB 1.608 40.132 38.487 0.061 0.000 1.191 480 N HN 0.874 nan 8.380 nan 0.000 0.497 481 A N -0.400 122.454 122.820 0.057 0.000 2.832 481 A HA -0.209 4.112 4.320 0.000 0.000 0.280 481 A C -0.375 177.239 177.584 0.050 0.000 1.464 481 A CA 0.745 52.804 52.037 0.037 0.000 0.804 481 A CB -2.011 16.992 19.000 0.006 0.000 1.020 481 A HN 0.479 nan 8.150 nan 0.000 0.563 482 L N -0.770 120.499 121.223 0.078 0.000 2.476 482 L HA 0.801 5.141 4.340 0.000 0.000 0.269 482 L C -0.183 176.737 176.870 0.083 0.000 0.965 482 L CA -0.279 54.611 54.840 0.083 0.000 0.845 482 L CB 1.444 43.586 42.059 0.139 0.000 1.259 482 L HN 0.369 nan 8.230 nan 0.000 0.403 483 R N 3.138 123.682 120.500 0.073 0.000 2.888 483 R HA 0.888 5.228 4.340 0.000 0.000 0.264 483 R C -1.627 174.713 176.300 0.066 0.000 1.045 483 R CA -1.151 54.999 56.100 0.083 0.000 0.962 483 R CB 2.503 32.859 30.300 0.093 0.000 1.210 483 R HN 0.342 nan 8.270 nan 0.000 0.479 484 V N 1.532 121.501 119.914 0.091 0.000 2.577 484 V HA 0.408 4.528 4.120 0.000 0.000 0.303 484 V C -1.000 175.140 176.094 0.076 0.000 1.042 484 V CA -0.688 61.652 62.300 0.066 0.000 0.872 484 V CB 2.090 33.947 31.823 0.057 0.000 0.998 484 V HN 0.451 nan 8.190 nan 0.000 0.423 485 V N 5.098 125.005 119.914 -0.012 0.000 2.498 485 V HA 0.715 4.836 4.120 0.000 0.000 0.283 485 V C -0.792 175.256 176.094 -0.077 0.000 1.015 485 V CA -0.373 61.866 62.300 -0.102 0.000 0.867 485 V CB 1.346 33.046 31.823 -0.204 0.000 1.025 485 V HN 1.139 nan 8.190 nan 0.000 0.441 486 D N 3.057 123.422 120.400 -0.058 0.000 3.235 486 D HA 0.194 4.834 4.640 0.000 0.000 0.360 486 D C 1.049 177.215 176.300 -0.223 0.000 1.465 486 D CA 0.128 54.057 54.000 -0.118 0.000 0.874 486 D CB 0.639 41.388 40.800 -0.085 0.000 1.465 486 D HN 0.356 nan 8.370 nan 0.000 0.533 487 G N -0.952 107.556 108.800 -0.488 0.000 2.776 487 G HA2 0.040 4.000 3.960 0.000 0.000 0.209 487 G HA3 0.040 4.000 3.960 0.000 0.000 0.209 487 G C 1.002 175.850 174.900 -0.086 0.000 1.145 487 G CA 0.999 45.675 45.100 -0.707 0.000 0.791 487 G HN 0.645 nan 8.290 nan 0.000 0.530 488 S N -0.077 115.618 115.700 -0.009 0.000 2.562 488 S HA -0.066 4.404 4.470 0.000 0.000 0.221 488 S C 2.109 176.736 174.600 0.045 0.000 0.975 488 S CA 1.236 59.477 58.200 0.068 0.000 0.918 488 S CB -0.246 62.983 63.200 0.049 0.000 0.772 488 S HN 0.349 nan 8.310 nan 0.000 0.531 489 T N -1.567 112.991 114.554 0.006 0.000 3.081 489 T HA 0.348 4.698 4.350 0.000 0.000 0.255 489 T C 0.028 174.392 174.700 -0.561 0.000 1.113 489 T CA -0.255 61.704 62.100 -0.234 0.000 1.082 489 T CB -0.551 68.176 68.868 -0.235 0.000 0.939 489 T HN 0.330 nan 8.240 nan 0.000 0.506 490 F N 1.147 121.183 119.950 0.143 0.000 2.576 490 F HA 0.472 4.999 4.527 0.000 0.000 0.313 490 F C -1.778 173.994 175.800 -0.046 0.000 1.078 490 F CA -2.583 55.429 58.000 0.019 0.000 0.921 490 F CB 2.202 41.213 39.000 0.018 0.000 1.232 490 F HN -0.305 nan 8.300 nan 0.000 0.459 491 P HA -0.098 nan 4.420 nan 0.000 0.220 491 P C -0.468 176.383 177.300 -0.748 0.000 1.152 491 P CA 1.496 64.180 63.100 -0.692 0.000 0.812 491 P CB 0.386 31.455 31.700 -1.052 0.000 0.792 492 Y N -1.544 118.712 120.300 -0.074 0.000 2.549 492 Y HA 0.398 4.949 4.550 0.001 0.000 0.339 492 Y C 1.138 176.773 175.900 -0.441 0.000 1.053 492 Y CA -1.276 56.755 58.100 -0.116 0.000 1.105 492 Y CB 1.127 39.512 38.460 -0.125 0.000 1.258 492 Y HN -0.364 nan 8.280 nan 0.000 0.478 493 T N 4.011 118.371 114.554 -0.325 0.000 2.901 493 T HA 0.074 4.425 4.350 0.000 0.000 0.301 493 T C -1.274 173.145 174.700 -0.469 0.000 1.012 493 T CA -1.461 60.345 62.100 -0.489 0.000 1.135 493 T CB 0.524 69.251 68.868 -0.234 0.000 0.936 493 T HN 0.519 nan 8.240 nan 0.000 0.539 494 P HA 0.212 nan 4.420 nan 0.000 0.229 494 P C 0.015 176.831 177.300 -0.808 0.000 1.160 494 P CA 0.370 62.979 63.100 -0.818 0.000 0.777 494 P CB 0.267 31.298 31.700 -1.115 0.000 0.814 495 A N -0.609 121.741 122.820 -0.784 0.000 2.483 495 A HA 0.423 4.743 4.320 0.000 0.000 0.306 495 A C 1.133 178.224 177.584 -0.822 0.000 1.137 495 A CA 0.344 51.742 52.037 -1.064 0.000 0.626 495 A CB -0.247 18.332 19.000 -0.702 0.000 1.352 495 A HN -0.079 nan 8.150 nan 0.000 0.508 496 S N -0.573 114.707 115.700 -0.701 0.000 2.399 496 S HA -0.015 4.456 4.470 0.000 0.000 0.231 496 S C 0.467 174.791 174.600 -0.461 0.000 1.022 496 S CA 1.955 59.840 58.200 -0.525 0.000 0.983 496 S CB -0.502 62.602 63.200 -0.161 0.000 0.803 496 S HN 0.759 nan 8.310 nan 0.000 0.480 497 H N 0.951 119.893 119.070 -0.213 0.000 2.924 497 H HA 0.399 4.955 4.556 0.000 0.000 0.333 497 H C -2.209 172.861 175.328 -0.429 0.000 0.979 497 H CA -1.504 54.397 56.048 -0.245 0.000 1.326 497 H CB 1.938 31.656 29.762 -0.073 0.000 1.600 497 H HN 0.058 nan 8.280 nan 0.000 0.520 498 P HA -0.122 nan 4.420 nan 0.000 0.236 498 P C 1.056 178.006 177.300 -0.583 0.000 1.177 498 P CA 0.552 63.275 63.100 -0.629 0.000 0.773 498 P CB 0.618 31.891 31.700 -0.711 0.000 0.878 499 Q N 0.415 120.050 119.800 -0.275 0.000 2.135 499 Q HA -0.121 4.219 4.340 0.000 0.000 0.204 499 Q C 2.192 178.148 176.000 -0.075 0.000 0.981 499 Q CA 2.161 57.921 55.803 -0.071 0.000 0.856 499 Q CB -1.650 27.114 28.738 0.043 0.000 0.902 499 Q HN 0.121 nan 8.270 nan 0.000 0.425 500 G N 0.575 109.224 108.800 -0.252 0.000 2.446 500 G HA2 -0.312 3.648 3.960 0.000 0.000 0.217 500 G HA3 -0.312 3.648 3.960 0.000 0.000 0.217 500 G C 1.149 176.071 174.900 0.036 0.000 1.168 500 G CA 0.816 45.737 45.100 -0.300 0.000 0.771 500 G HN 0.482 nan 8.290 nan 0.000 0.551 501 F N 0.522 120.345 119.950 -0.211 0.000 2.146 501 F HA 0.031 4.559 4.527 0.001 0.000 0.298 501 F C 2.508 178.281 175.800 -0.044 0.000 1.096 501 F CA 1.124 59.033 58.000 -0.153 0.000 1.275 501 F CB -0.245 38.520 39.000 -0.391 0.000 1.008 501 F HN 0.275 nan 8.300 nan 0.000 0.480 502 Y N -0.236 120.020 120.300 -0.073 0.000 2.293 502 Y HA -0.193 4.357 4.550 0.000 0.000 0.291 502 Y C 2.346 178.170 175.900 -0.125 0.000 1.137 502 Y CA 0.624 58.652 58.100 -0.121 0.000 1.202 502 Y CB -0.346 38.139 38.460 0.041 0.000 0.990 502 Y HN 0.082 nan 8.280 nan 0.000 0.537 503 L N -0.647 120.635 121.223 0.099 0.000 2.027 503 L HA -0.262 4.078 4.340 0.000 0.000 0.206 503 L C 2.677 179.568 176.870 0.034 0.000 1.074 503 L CA 0.987 55.894 54.840 0.112 0.000 0.745 503 L CB -0.464 41.715 42.059 0.200 0.000 0.898 503 L HN 0.334 nan 8.230 nan 0.000 0.433 504 M N -0.068 119.499 119.600 -0.055 0.000 2.108 504 M HA -0.228 4.252 4.480 0.000 0.000 0.261 504 M C 2.360 178.511 176.300 -0.249 0.000 1.066 504 M CA 1.979 57.151 55.300 -0.213 0.000 1.107 504 M CB -0.584 31.660 32.600 -0.593 0.000 1.356 504 M HN 0.252 nan 8.290 nan 0.000 0.406 505 L N 0.856 121.851 121.223 -0.379 0.000 2.043 505 L HA -0.100 4.241 4.340 0.000 0.000 0.212 505 L C 2.321 179.088 176.870 -0.171 0.000 1.075 505 L CA 2.432 57.088 54.840 -0.307 0.000 0.752 505 L CB -1.396 40.423 42.059 -0.399 0.000 0.891 505 L HN 0.405 nan 8.230 nan 0.000 0.432 506 G N -0.898 107.819 108.800 -0.138 0.000 2.491 506 G HA2 -0.370 3.590 3.960 0.000 0.000 0.218 506 G HA3 -0.370 3.590 3.960 0.000 0.000 0.218 506 G C 1.803 176.605 174.900 -0.162 0.000 1.180 506 G CA 0.947 45.972 45.100 -0.125 0.000 0.774 506 G HN 0.463 nan 8.290 nan 0.000 0.562 507 R N -1.079 119.308 120.500 -0.189 0.000 2.090 507 R HA -0.065 4.276 4.340 0.000 0.000 0.228 507 R C 2.265 178.399 176.300 -0.276 0.000 1.110 507 R CA 1.172 57.068 56.100 -0.339 0.000 0.973 507 R CB -0.550 29.376 30.300 -0.624 0.000 0.869 507 R HN 0.426 nan 8.270 nan 0.000 0.440 508 Y N 0.890 121.023 120.300 -0.279 0.000 2.053 508 Y HA -0.298 4.253 4.550 0.000 0.000 0.277 508 Y C 2.004 177.787 175.900 -0.195 0.000 1.159 508 Y CA 2.225 60.206 58.100 -0.198 0.000 1.125 508 Y CB -0.429 37.978 38.460 -0.088 0.000 0.969 508 Y HN -0.124 nan 8.280 nan 0.000 0.492 509 V N 0.213 120.066 119.914 -0.101 0.000 2.490 509 V HA -0.261 3.859 4.120 0.000 0.000 0.250 509 V C 2.590 178.532 176.094 -0.253 0.000 1.061 509 V CA 1.766 63.943 62.300 -0.205 0.000 1.064 509 V CB -1.592 30.053 31.823 -0.296 0.000 0.670 509 V HN 0.674 nan 8.190 nan 0.000 0.461 510 G N 0.194 108.835 108.800 -0.264 0.000 2.418 510 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 510 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 510 G C 1.472 176.205 174.900 -0.278 0.000 1.158 510 G CA 0.802 45.735 45.100 -0.278 0.000 0.771 510 G HN 0.389 nan 8.290 nan 0.000 0.545 511 I N 0.764 121.142 120.570 -0.320 0.000 2.252 511 I HA -0.049 4.121 4.170 0.000 0.000 0.245 511 I C 2.514 178.466 176.117 -0.276 0.000 1.102 511 I CA 0.996 62.114 61.300 -0.302 0.000 1.385 511 I CB -0.625 37.162 38.000 -0.355 0.000 1.064 511 I HN 0.093 nan 8.210 nan 0.000 0.414 512 K N 0.744 120.938 120.400 -0.343 0.000 2.097 512 K HA -0.071 4.249 4.320 0.000 0.000 0.206 512 K C 2.098 178.608 176.600 -0.150 0.000 1.049 512 K CA 1.167 57.299 56.287 -0.259 0.000 0.933 512 K CB -0.363 31.979 32.500 -0.262 0.000 0.717 512 K HN 0.362 nan 8.250 nan 0.000 0.442 513 I N 0.854 121.332 120.570 -0.153 0.000 2.286 513 I HA -0.236 3.934 4.170 0.000 0.000 0.245 513 I C 2.274 178.351 176.117 -0.066 0.000 1.104 513 I CA 0.858 62.093 61.300 -0.107 0.000 1.397 513 I CB -0.249 37.642 38.000 -0.183 0.000 1.072 513 I HN 0.023 nan 8.210 nan 0.000 0.417 514 L N 0.117 121.291 121.223 -0.082 0.000 2.083 514 L HA -0.236 4.104 4.340 0.000 0.000 0.209 514 L C 2.648 179.521 176.870 0.005 0.000 1.083 514 L CA 1.453 56.297 54.840 0.007 0.000 0.752 514 L CB -0.630 41.411 42.059 -0.031 0.000 0.899 514 L HN 0.339 nan 8.230 nan 0.000 0.433 515 Q N -0.297 119.473 119.800 -0.050 0.000 2.124 515 Q HA -0.261 4.080 4.340 0.000 0.000 0.202 515 Q C 2.079 178.069 176.000 -0.016 0.000 0.977 515 Q CA 1.548 57.325 55.803 -0.042 0.000 0.850 515 Q CB -0.104 28.588 28.738 -0.076 0.000 0.901 515 Q HN 0.505 nan 8.270 nan 0.000 0.429 516 E N 0.545 120.734 120.200 -0.018 0.000 2.077 516 E HA -0.182 4.168 4.350 0.000 0.000 0.193 516 E C 2.052 178.666 176.600 0.023 0.000 0.989 516 E CA 0.660 57.059 56.400 -0.002 0.000 0.800 516 E CB 0.253 29.951 29.700 -0.004 0.000 0.746 516 E HN 0.105 nan 8.360 nan 0.000 0.452 517 R N 0.197 120.726 120.500 0.048 0.000 2.096 517 R HA -0.024 4.316 4.340 0.000 0.000 0.235 517 R C 2.439 178.797 176.300 0.097 0.000 1.127 517 R CA 1.052 57.205 56.100 0.088 0.000 0.968 517 R CB -0.682 29.720 30.300 0.170 0.000 0.861 517 R HN 0.132 nan 8.270 nan 0.000 0.440 518 S N 0.940 116.686 115.700 0.076 0.000 2.368 518 S HA -0.067 4.403 4.470 0.000 0.000 0.224 518 S C 1.961 176.581 174.600 0.033 0.000 1.029 518 S CA 1.176 59.407 58.200 0.052 0.000 0.988 518 S CB -0.107 63.108 63.200 0.026 0.000 0.838 518 S HN 0.458 nan 8.310 nan 0.000 0.462 519 A N 1.412 124.245 122.820 0.022 0.000 2.119 519 A HA 0.009 4.329 4.320 0.000 0.000 0.217 519 A C 2.162 179.756 177.584 0.017 0.000 1.153 519 A CA 1.423 53.468 52.037 0.013 0.000 0.692 519 A CB -0.475 18.528 19.000 0.005 0.000 0.799 519 A HN 0.571 nan 8.150 nan 0.000 0.458 520 S N -0.593 115.122 115.700 0.026 0.000 2.524 520 S HA 0.050 4.521 4.470 0.000 0.000 0.216 520 S C 0.372 174.989 174.600 0.029 0.000 0.987 520 S CA -0.223 57.991 58.200 0.023 0.000 0.909 520 S CB -0.145 63.068 63.200 0.022 0.000 0.781 520 S HN 0.430 nan 8.310 nan 0.000 0.521 521 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 54.024 54.000 0.041 0.000 0.868 521 D CB 0.000 40.829 40.800 0.048 0.000 0.688 521 D HN 0.000 nan 8.370 nan 0.000 0.683