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 1v1s_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLEVVTAGEP LVALVPQEPG HLRGKRLLEV YVGGAEVNVA VALARLGVKV DATA SEQUENCE GFVGRVGEDE LGAMVEERLR AEGVDLTHFR RAPGFTGLYL REYLPLGQGR DATA SEQUENCE VFYYRKGSAG SALAPGAFDP DYLEGVRFLH LSGITPALSP EARAFSLWAM DATA SEQUENCE EEAKRRGVRV SLDVNYRQTL WSPEEARGFL ERALPGVDLL FLSEEEAELL DATA SEQUENCE FGRVEEALRA LSAPEVVLKR GAKGAWAFVD GRRVEGSAFA VEAVDPVGAG DATA SEQUENCE DAFAAGYLAG AVWGLPVEER LRLANLLGAS VAASRGDHEG APYREDLEVL DATA SEQUENCE LK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.044 0.000 1.140 1 M CA 0.000 55.333 55.300 0.055 0.000 0.988 1 M CB 0.000 32.628 32.600 0.047 0.000 1.302 2 L N 3.768 125.008 121.223 0.029 0.000 2.453 2 L HA 0.128 4.467 4.340 -0.001 0.000 0.272 2 L C 0.781 177.645 176.870 -0.011 0.000 1.182 2 L CA 0.354 55.190 54.840 -0.005 0.000 0.858 2 L CB 0.677 42.690 42.059 -0.077 0.000 1.120 2 L HN 0.849 nan 8.230 nan 0.000 0.474 3 E N 1.814 122.015 120.200 0.002 0.000 2.166 3 E HA 0.084 4.433 4.350 -0.001 0.000 0.192 3 E C -0.453 176.166 176.600 0.032 0.000 0.967 3 E CA 0.400 56.814 56.400 0.024 0.000 0.840 3 E CB 0.677 30.390 29.700 0.022 0.000 0.795 3 E HN 0.403 nan 8.360 nan 0.000 0.470 4 V N 1.133 121.041 119.914 -0.011 0.000 2.876 4 V HA 0.403 4.522 4.120 -0.001 0.000 0.312 4 V C -0.625 175.441 176.094 -0.048 0.000 1.085 4 V CA -0.991 61.308 62.300 -0.001 0.000 0.945 4 V CB 2.388 34.190 31.823 -0.036 0.000 1.017 4 V HN -0.185 nan 8.190 nan 0.000 0.428 5 V N 2.057 121.947 119.914 -0.039 0.000 2.686 5 V HA 0.699 4.819 4.120 -0.001 0.000 0.306 5 V C -0.225 175.876 176.094 0.011 0.000 1.065 5 V CA -0.172 62.069 62.300 -0.098 0.000 0.894 5 V CB 2.190 33.837 31.823 -0.295 0.000 1.004 5 V HN 1.010 nan 8.190 nan 0.000 0.424 6 T N 2.971 117.569 114.554 0.073 0.000 2.916 6 T HA 0.909 5.258 4.350 -0.001 0.000 0.292 6 T C -0.972 173.779 174.700 0.085 0.000 1.064 6 T CA 0.080 62.282 62.100 0.169 0.000 1.011 6 T CB 1.821 70.867 68.868 0.296 0.000 1.152 6 T HN 1.198 nan 8.240 nan 0.000 0.510 7 A N 0.917 123.797 122.820 0.100 0.000 2.547 7 A HA 0.933 5.252 4.320 -0.001 0.000 0.297 7 A C -0.111 177.530 177.584 0.095 0.000 1.056 7 A CA 0.003 51.986 52.037 -0.091 0.000 0.688 7 A CB 1.469 20.519 19.000 0.082 0.000 1.282 7 A HN 1.436 nan 8.150 nan 0.000 0.400 8 G N -0.089 108.736 108.800 0.042 0.000 2.341 8 G HA2 0.489 4.448 3.960 -0.001 0.000 0.299 8 G HA3 0.489 4.448 3.960 -0.001 0.000 0.299 8 G C -1.575 173.480 174.900 0.259 0.000 1.274 8 G CA -0.167 45.049 45.100 0.192 0.000 0.853 8 G HN 0.882 nan 8.290 nan 0.000 0.493 9 E N 0.674 120.994 120.200 0.201 0.000 2.156 9 E HA 0.581 4.931 4.350 -0.001 0.000 0.279 9 E C -2.463 174.266 176.600 0.216 0.000 0.965 9 E CA -1.792 54.714 56.400 0.176 0.000 0.789 9 E CB 1.974 31.703 29.700 0.048 0.000 1.098 9 E HN 0.117 nan 8.360 nan 0.000 0.397 10 P HA 0.296 nan 4.420 nan 0.000 0.282 10 P C -0.963 176.434 177.300 0.160 0.000 1.249 10 P CA -0.297 62.903 63.100 0.166 0.000 0.806 10 P CB 0.850 32.665 31.700 0.192 0.000 0.984 11 L N 0.948 122.275 121.223 0.172 0.000 2.393 11 L HA 0.521 4.861 4.340 -0.001 0.000 0.260 11 L C -0.840 176.174 176.870 0.241 0.000 1.002 11 L CA -1.300 53.682 54.840 0.238 0.000 0.818 11 L CB 2.430 44.682 42.059 0.322 0.000 1.369 11 L HN -0.002 nan 8.230 nan 0.000 0.412 12 V N 1.508 121.551 119.914 0.215 0.000 2.370 12 V HA 0.591 4.710 4.120 -0.001 0.000 0.279 12 V C 0.291 176.370 176.094 -0.025 0.000 1.029 12 V CA -0.516 61.851 62.300 0.111 0.000 0.870 12 V CB 1.437 33.302 31.823 0.070 0.000 0.984 12 V HN 0.808 nan 8.190 nan 0.000 0.451 13 A N 6.564 129.311 122.820 -0.121 0.000 2.309 13 A HA 0.835 5.155 4.320 -0.001 0.000 0.298 13 A C -0.633 176.752 177.584 -0.331 0.000 1.165 13 A CA -0.443 51.249 52.037 -0.574 0.000 0.821 13 A CB 0.462 19.277 19.000 -0.307 0.000 1.102 13 A HN 0.806 nan 8.150 nan 0.000 0.500 14 L N 3.104 124.075 121.223 -0.420 0.000 2.349 14 L HA 0.626 4.965 4.340 -0.001 0.000 0.278 14 L C -1.037 175.732 176.870 -0.167 0.000 0.996 14 L CA -0.714 53.993 54.840 -0.221 0.000 0.825 14 L CB 1.687 43.634 42.059 -0.186 0.000 1.243 14 L HN 0.435 nan 8.230 nan 0.000 0.412 15 V N 3.726 123.593 119.914 -0.078 0.000 2.841 15 V HA 0.467 4.587 4.120 -0.001 0.000 0.310 15 V C -2.243 173.809 176.094 -0.070 0.000 1.090 15 V CA -1.534 60.739 62.300 -0.045 0.000 0.930 15 V CB 2.735 34.631 31.823 0.123 0.000 1.014 15 V HN 0.576 nan 8.190 nan 0.000 0.425 16 P HA 0.173 nan 4.420 nan 0.000 0.272 16 P C -0.255 177.005 177.300 -0.067 0.000 1.230 16 P CA -0.120 62.886 63.100 -0.157 0.000 0.788 16 P CB 0.903 32.453 31.700 -0.251 0.000 0.949 17 Q N 0.037 119.840 119.800 0.004 0.000 2.482 17 Q HA -0.011 4.329 4.340 -0.001 0.000 0.209 17 Q C 0.711 176.807 176.000 0.160 0.000 0.961 17 Q CA 0.755 56.613 55.803 0.092 0.000 0.945 17 Q CB 0.103 28.872 28.738 0.051 0.000 1.012 17 Q HN 0.574 nan 8.270 nan 0.000 0.515 18 E N -0.824 119.462 120.200 0.144 0.000 2.401 18 E HA 0.343 4.692 4.350 -0.001 0.000 0.280 18 E C -3.135 173.615 176.600 0.249 0.000 1.039 18 E CA -2.593 53.959 56.400 0.253 0.000 0.814 18 E CB 0.652 30.428 29.700 0.126 0.000 1.275 18 E HN -0.297 nan 8.360 nan 0.000 0.448 19 P HA 0.367 nan 4.420 nan 0.000 0.269 19 P C -0.073 177.280 177.300 0.088 0.000 1.211 19 P CA 1.603 64.899 63.100 0.328 0.000 0.781 19 P CB 0.297 32.151 31.700 0.258 0.000 0.877 20 G N -0.253 108.556 108.800 0.015 0.000 2.340 20 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.527 20 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.527 20 G C -1.657 173.186 174.900 -0.096 0.000 1.381 20 G CA -0.941 44.161 45.100 0.004 0.000 1.001 20 G HN 0.533 nan 8.290 nan 0.000 0.626 21 H N 0.137 119.211 119.070 0.005 0.000 2.803 21 H HA 0.320 4.875 4.556 -0.001 0.000 0.330 21 H C 1.631 176.945 175.328 -0.023 0.000 1.057 21 H CA 0.076 56.128 56.048 0.006 0.000 1.458 21 H CB 1.457 31.230 29.762 0.018 0.000 1.470 21 H HN 0.519 nan 8.280 nan 0.000 0.560 22 L N 4.012 125.255 121.223 0.034 0.000 2.089 22 L HA -0.242 4.097 4.340 -0.001 0.000 0.213 22 L C 2.450 179.309 176.870 -0.019 0.000 1.079 22 L CA 1.797 56.623 54.840 -0.023 0.000 0.758 22 L CB -0.537 41.495 42.059 -0.045 0.000 0.891 22 L HN 0.765 nan 8.230 nan 0.000 0.433 23 R N -1.103 119.407 120.500 0.016 0.000 2.170 23 R HA -0.129 4.211 4.340 -0.001 0.000 0.242 23 R C 1.890 178.186 176.300 -0.007 0.000 1.145 23 R CA 1.586 57.680 56.100 -0.010 0.000 0.984 23 R CB -1.216 29.086 30.300 0.003 0.000 0.869 23 R HN 0.447 nan 8.270 nan 0.000 0.455 24 G N 1.036 109.847 108.800 0.018 0.000 2.744 24 G HA2 0.025 3.985 3.960 -0.001 0.000 0.211 24 G HA3 0.025 3.985 3.960 -0.001 0.000 0.211 24 G C 0.084 174.979 174.900 -0.008 0.000 1.146 24 G CA -0.358 44.747 45.100 0.008 0.000 0.787 24 G HN 0.065 nan 8.290 nan 0.000 0.534 25 K N 0.201 120.588 120.400 -0.021 0.000 2.149 25 K HA 0.377 4.697 4.320 -0.001 0.000 0.245 25 K C 0.526 177.102 176.600 -0.040 0.000 1.024 25 K CA -0.114 56.152 56.287 -0.035 0.000 0.899 25 K CB 0.843 33.309 32.500 -0.057 0.000 1.038 25 K HN 0.073 nan 8.250 nan 0.000 0.496 26 R N -0.025 120.451 120.500 -0.041 0.000 2.496 26 R HA 0.303 4.642 4.340 -0.001 0.000 0.369 26 R C -0.459 175.812 176.300 -0.047 0.000 0.896 26 R CA -0.105 55.969 56.100 -0.043 0.000 1.147 26 R CB 0.640 30.921 30.300 -0.033 0.000 1.697 26 R HN 0.322 nan 8.270 nan 0.000 0.518 27 L N 1.889 123.082 121.223 -0.051 0.000 2.528 27 L HA 0.513 4.852 4.340 -0.001 0.000 0.267 27 L C -1.338 175.492 176.870 -0.066 0.000 0.961 27 L CA -0.570 54.237 54.840 -0.055 0.000 0.866 27 L CB 2.323 44.356 42.059 -0.043 0.000 1.248 27 L HN -0.071 nan 8.230 nan 0.000 0.404 28 L N 3.142 124.315 121.223 -0.083 0.000 2.346 28 L HA 0.506 4.846 4.340 -0.001 0.000 0.276 28 L C -0.208 176.584 176.870 -0.130 0.000 1.006 28 L CA -0.685 54.094 54.840 -0.100 0.000 0.817 28 L CB 2.411 44.404 42.059 -0.110 0.000 1.272 28 L HN 0.548 nan 8.230 nan 0.000 0.421 29 E N 1.467 121.578 120.200 -0.148 0.000 2.313 29 E HA 0.378 4.727 4.350 -0.001 0.000 0.272 29 E C -1.103 175.256 176.600 -0.402 0.000 1.038 29 E CA -0.601 55.625 56.400 -0.290 0.000 0.863 29 E CB 2.254 31.775 29.700 -0.299 0.000 1.060 29 E HN 0.211 nan 8.360 nan 0.000 0.402 30 V N 3.858 123.467 119.914 -0.509 0.000 2.370 30 V HA 0.317 4.437 4.120 -0.001 0.000 0.283 30 V C -0.985 174.778 176.094 -0.552 0.000 1.023 30 V CA -0.595 61.467 62.300 -0.397 0.000 0.857 30 V CB 0.013 31.699 31.823 -0.228 0.000 0.985 30 V HN 0.542 nan 8.190 nan 0.000 0.443 31 Y N 2.276 122.533 120.300 -0.072 0.000 2.576 31 Y HA 0.656 5.205 4.550 -0.001 0.000 0.346 31 Y C -0.053 175.839 175.900 -0.012 0.000 1.018 31 Y CA -1.107 56.958 58.100 -0.058 0.000 1.050 31 Y CB 2.156 40.566 38.460 -0.082 0.000 1.280 31 Y HN 0.336 nan 8.280 nan 0.000 0.474 32 V N 1.969 122.016 119.914 0.221 0.000 2.439 32 V HA 0.848 4.967 4.120 -0.001 0.000 0.282 32 V C 0.256 176.525 176.094 0.292 0.000 1.039 32 V CA -0.057 62.371 62.300 0.213 0.000 0.913 32 V CB 0.907 32.845 31.823 0.192 0.000 0.983 32 V HN 0.955 nan 8.190 nan 0.000 0.460 33 G N 2.111 111.052 108.800 0.236 0.000 2.975 33 G HA2 0.794 4.754 3.960 -0.001 0.000 0.291 33 G HA3 0.794 4.754 3.960 -0.001 0.000 0.291 33 G C -0.253 174.733 174.900 0.145 0.000 1.334 33 G CA -0.506 44.740 45.100 0.243 0.000 0.843 33 G HN 1.499 nan 8.290 nan 0.000 0.548 34 G N -1.710 107.165 108.800 0.125 0.000 3.306 34 G HA2 0.453 4.412 3.960 -0.001 0.000 0.672 34 G HA3 0.453 4.412 3.960 -0.001 0.000 0.672 34 G C 0.759 175.684 174.900 0.042 0.000 1.212 34 G CA 0.674 45.820 45.100 0.078 0.000 1.150 34 G HN 1.953 nan 8.290 nan 0.000 0.509 35 A N 2.279 125.132 122.820 0.055 0.000 1.901 35 A HA -0.240 4.079 4.320 -0.001 0.000 0.227 35 A C 2.208 179.830 177.584 0.064 0.000 1.551 35 A CA 2.913 54.985 52.037 0.058 0.000 0.769 35 A CB -0.833 18.214 19.000 0.078 0.000 0.845 35 A HN 1.258 nan 8.150 nan 0.000 0.481 36 E N -0.776 119.509 120.200 0.142 0.000 2.147 36 E HA -0.144 4.205 4.350 -0.001 0.000 0.199 36 E C 1.904 178.531 176.600 0.045 0.000 1.005 36 E CA 1.444 57.975 56.400 0.220 0.000 0.810 36 E CB -0.517 29.424 29.700 0.402 0.000 0.736 36 E HN 0.438 nan 8.360 nan 0.000 0.460 37 V N 1.588 121.419 119.914 -0.138 0.000 2.270 37 V HA -0.274 3.845 4.120 -0.001 0.000 0.245 37 V C 1.811 177.690 176.094 -0.358 0.000 1.043 37 V CA 1.847 63.875 62.300 -0.452 0.000 1.014 37 V CB -0.627 30.911 31.823 -0.475 0.000 0.645 37 V HN 0.300 nan 8.190 nan 0.000 0.447 38 N N 0.640 119.206 118.700 -0.223 0.000 2.091 38 N HA -0.173 4.566 4.740 -0.001 0.000 0.193 38 N C 1.793 177.174 175.510 -0.215 0.000 1.021 38 N CA 1.795 54.722 53.050 -0.205 0.000 0.862 38 N CB -0.588 37.889 38.487 -0.016 0.000 1.018 38 N HN 0.423 nan 8.380 nan 0.000 0.429 39 V N 1.512 121.328 119.914 -0.164 0.000 2.358 39 V HA -0.138 3.982 4.120 -0.001 0.000 0.246 39 V C 2.548 178.530 176.094 -0.187 0.000 1.047 39 V CA 1.647 63.836 62.300 -0.185 0.000 1.035 39 V CB -1.029 30.676 31.823 -0.197 0.000 0.658 39 V HN 0.289 nan 8.190 nan 0.000 0.452 40 A N 0.324 123.048 122.820 -0.161 0.000 1.908 40 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 40 A C 2.384 179.854 177.584 -0.189 0.000 1.181 40 A CA 2.244 54.199 52.037 -0.137 0.000 0.627 40 A CB -0.729 18.203 19.000 -0.113 0.000 0.818 40 A HN 0.368 nan 8.150 nan 0.000 0.445 41 V N -0.051 119.695 119.914 -0.279 0.000 2.261 41 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 41 V C 3.031 178.997 176.094 -0.213 0.000 1.047 41 V CA 1.967 64.100 62.300 -0.280 0.000 1.015 41 V CB -1.669 29.870 31.823 -0.473 0.000 0.642 41 V HN 0.615 nan 8.190 nan 0.000 0.446 42 A N 0.361 123.053 122.820 -0.214 0.000 1.884 42 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 42 A C 2.266 179.738 177.584 -0.186 0.000 1.197 42 A CA 2.423 54.344 52.037 -0.193 0.000 0.637 42 A CB -0.762 18.131 19.000 -0.178 0.000 0.827 42 A HN 0.510 nan 8.150 nan 0.000 0.450 43 L N -1.029 120.081 121.223 -0.188 0.000 1.989 43 L HA -0.242 4.098 4.340 -0.001 0.000 0.211 43 L C 3.170 179.971 176.870 -0.115 0.000 1.071 43 L CA 1.298 56.029 54.840 -0.181 0.000 0.749 43 L CB -0.881 41.063 42.059 -0.192 0.000 0.890 43 L HN 0.473 nan 8.230 nan 0.000 0.431 44 A N 0.224 122.984 122.820 -0.100 0.000 1.903 44 A HA -0.272 4.048 4.320 -0.001 0.000 0.219 44 A C 2.375 179.947 177.584 -0.021 0.000 1.191 44 A CA 2.007 54.014 52.037 -0.049 0.000 0.638 44 A CB -0.657 18.308 19.000 -0.057 0.000 0.823 44 A HN 0.359 nan 8.150 nan 0.000 0.451 45 R N -0.777 119.673 120.500 -0.083 0.000 2.152 45 R HA 0.006 4.345 4.340 -0.001 0.000 0.232 45 R C 1.462 177.760 176.300 -0.005 0.000 1.117 45 R CA 1.119 57.154 56.100 -0.107 0.000 0.981 45 R CB -0.336 29.682 30.300 -0.470 0.000 0.870 45 R HN 0.520 nan 8.270 nan 0.000 0.451 46 L N -0.728 120.496 121.223 0.001 0.000 2.591 46 L HA 0.160 4.499 4.340 -0.001 0.000 0.228 46 L C 1.109 178.118 176.870 0.232 0.000 1.133 46 L CA 0.525 55.438 54.840 0.121 0.000 0.880 46 L CB 0.263 42.378 42.059 0.093 0.000 1.033 46 L HN 0.483 nan 8.230 nan 0.000 0.450 47 G N -0.065 108.828 108.800 0.154 0.000 2.176 47 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.232 47 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.232 47 G C 0.254 175.253 174.900 0.164 0.000 0.986 47 G CA -0.069 45.135 45.100 0.174 0.000 0.643 47 G HN 0.081 nan 8.290 nan 0.000 0.522 48 V N 1.403 121.373 119.914 0.095 0.000 2.555 48 V HA 0.288 4.408 4.120 -0.001 0.000 0.286 48 V C 0.930 177.033 176.094 0.014 0.000 1.044 48 V CA -0.025 62.288 62.300 0.021 0.000 1.026 48 V CB 1.323 33.065 31.823 -0.135 0.000 0.981 48 V HN 0.307 nan 8.190 nan 0.000 0.480 49 K N 3.823 124.240 120.400 0.029 0.000 2.315 49 K HA 0.442 4.761 4.320 -0.001 0.000 0.291 49 K C -0.577 176.025 176.600 0.002 0.000 1.074 49 K CA 0.062 56.366 56.287 0.028 0.000 0.936 49 K CB 1.135 33.660 32.500 0.042 0.000 1.049 49 K HN 0.482 nan 8.250 nan 0.000 0.471 50 V N 1.823 121.739 119.914 0.002 0.000 2.962 50 V HA 0.798 4.918 4.120 -0.001 0.000 0.313 50 V C -0.649 175.465 176.094 0.033 0.000 1.099 50 V CA -0.486 61.810 62.300 -0.006 0.000 0.971 50 V CB 2.111 33.919 31.823 -0.025 0.000 1.028 50 V HN 0.794 nan 8.190 nan 0.000 0.430 51 G N 3.406 112.225 108.800 0.033 0.000 2.542 51 G HA2 0.668 4.627 3.960 -0.001 0.000 0.311 51 G HA3 0.668 4.627 3.960 -0.001 0.000 0.311 51 G C -1.886 173.127 174.900 0.188 0.000 1.298 51 G CA -0.550 44.631 45.100 0.135 0.000 0.973 51 G HN 0.729 nan 8.290 nan 0.000 0.487 52 F N 2.157 122.157 119.950 0.084 0.000 2.480 52 F HA 0.730 5.256 4.527 -0.001 0.000 0.329 52 F C -0.601 175.325 175.800 0.210 0.000 1.091 52 F CA -0.897 57.149 58.000 0.077 0.000 0.972 52 F CB 2.336 41.309 39.000 -0.045 0.000 1.150 52 F HN 0.347 nan 8.300 nan 0.000 0.467 53 V N 4.435 123.891 119.914 -0.763 0.000 2.588 53 V HA 0.955 5.075 4.120 -0.001 0.000 0.304 53 V C -0.070 175.598 176.094 -0.710 0.000 1.042 53 V CA -0.141 61.922 62.300 -0.395 0.000 0.877 53 V CB 0.947 32.687 31.823 -0.138 0.000 0.996 53 V HN 1.159 nan 8.190 nan 0.000 0.425 54 G N 4.045 112.750 108.800 -0.159 0.000 2.313 54 G HA2 0.557 4.516 3.960 -0.001 0.000 0.296 54 G HA3 0.557 4.516 3.960 -0.001 0.000 0.296 54 G C -2.082 172.742 174.900 -0.126 0.000 1.356 54 G CA -0.893 44.165 45.100 -0.070 0.000 0.833 54 G HN 0.440 nan 8.290 nan 0.000 0.552 55 R N -1.126 119.293 120.500 -0.135 0.000 2.854 55 R HA 0.877 5.216 4.340 -0.001 0.000 0.271 55 R C -0.273 175.936 176.300 -0.151 0.000 0.994 55 R CA -0.646 55.279 56.100 -0.292 0.000 0.945 55 R CB 1.430 31.599 30.300 -0.217 0.000 1.194 55 R HN 1.516 nan 8.270 nan 0.000 0.476 56 V N -2.494 117.303 119.914 -0.194 0.000 3.159 56 V HA 0.853 4.972 4.120 -0.001 0.000 0.308 56 V C 0.279 176.327 176.094 -0.077 0.000 1.190 56 V CA -0.979 61.287 62.300 -0.056 0.000 1.037 56 V CB 1.856 33.731 31.823 0.087 0.000 1.060 56 V HN 0.758 nan 8.190 nan 0.000 0.437 57 G N -0.086 108.690 108.800 -0.039 0.000 2.651 57 G HA2 0.430 4.389 3.960 -0.001 0.000 0.260 57 G HA3 0.430 4.389 3.960 -0.001 0.000 0.260 57 G C -0.033 174.877 174.900 0.016 0.000 1.216 57 G CA -0.418 44.676 45.100 -0.010 0.000 0.913 57 G HN 0.932 nan 8.290 nan 0.000 0.535 58 E N 0.504 120.720 120.200 0.026 0.000 2.354 58 E HA 0.115 4.464 4.350 -0.001 0.000 0.260 58 E C -0.547 176.079 176.600 0.044 0.000 1.405 58 E CA -0.254 56.162 56.400 0.026 0.000 1.728 58 E CB 0.062 29.772 29.700 0.017 0.000 1.471 58 E HN 0.544 nan 8.360 nan 0.000 0.441 59 D N -1.397 119.038 120.400 0.059 0.000 2.467 59 D HA 0.099 4.738 4.640 -0.001 0.000 0.245 59 D C 0.911 177.244 176.300 0.055 0.000 1.038 59 D CA -0.706 53.331 54.000 0.062 0.000 1.038 59 D CB 0.683 41.536 40.800 0.089 0.000 1.278 59 D HN -0.240 nan 8.370 nan 0.000 0.564 60 E N -0.184 120.043 120.200 0.044 0.000 2.160 60 E HA -0.086 4.263 4.350 -0.001 0.000 0.195 60 E C 1.950 178.577 176.600 0.045 0.000 0.991 60 E CA 0.658 57.080 56.400 0.036 0.000 0.810 60 E CB -0.120 29.593 29.700 0.021 0.000 0.742 60 E HN 0.487 nan 8.360 nan 0.000 0.466 61 L N 0.125 121.381 121.223 0.056 0.000 2.109 61 L HA -0.065 4.274 4.340 -0.001 0.000 0.207 61 L C 2.502 179.423 176.870 0.085 0.000 1.086 61 L CA 1.104 55.983 54.840 0.065 0.000 0.760 61 L CB -0.695 41.410 42.059 0.077 0.000 0.910 61 L HN 0.176 nan 8.230 nan 0.000 0.437 62 G N -0.244 108.612 108.800 0.093 0.000 2.433 62 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.216 62 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.216 62 G C 1.793 176.769 174.900 0.127 0.000 1.186 62 G CA 0.809 45.979 45.100 0.116 0.000 0.779 62 G HN 0.446 nan 8.290 nan 0.000 0.543 63 A N 0.609 123.484 122.820 0.093 0.000 1.927 63 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 63 A C 2.370 180.003 177.584 0.082 0.000 1.185 63 A CA 2.287 54.375 52.037 0.086 0.000 0.639 63 A CB -0.477 18.558 19.000 0.058 0.000 0.820 63 A HN 0.453 nan 8.150 nan 0.000 0.451 64 M N -0.204 119.437 119.600 0.068 0.000 2.117 64 M HA -0.146 4.333 4.480 -0.001 0.000 0.262 64 M C 1.951 178.286 176.300 0.059 0.000 1.065 64 M CA 2.203 57.535 55.300 0.053 0.000 1.114 64 M CB -0.308 32.317 32.600 0.041 0.000 1.361 64 M HN 0.250 nan 8.290 nan 0.000 0.408 65 V N 0.752 120.716 119.914 0.084 0.000 2.255 65 V HA -0.320 3.800 4.120 -0.001 0.000 0.247 65 V C 2.244 178.349 176.094 0.018 0.000 1.051 65 V CA 2.515 64.853 62.300 0.064 0.000 1.018 65 V CB -1.266 30.642 31.823 0.141 0.000 0.641 65 V HN 0.627 nan 8.190 nan 0.000 0.445 66 E N 0.309 120.577 120.200 0.113 0.000 2.049 66 E HA -0.291 4.058 4.350 -0.001 0.000 0.198 66 E C 2.201 178.819 176.600 0.030 0.000 1.007 66 E CA 1.991 58.452 56.400 0.102 0.000 0.809 66 E CB -0.198 29.649 29.700 0.244 0.000 0.749 66 E HN 0.715 nan 8.360 nan 0.000 0.450 67 E N -0.135 120.091 120.200 0.045 0.000 2.049 67 E HA -0.282 4.068 4.350 -0.001 0.000 0.198 67 E C 2.260 178.866 176.600 0.010 0.000 1.007 67 E CA 1.379 57.797 56.400 0.029 0.000 0.809 67 E CB -0.202 29.517 29.700 0.033 0.000 0.749 67 E HN 0.079 nan 8.360 nan 0.000 0.450 68 R N 1.492 121.996 120.500 0.007 0.000 2.096 68 R HA -0.153 4.187 4.340 -0.001 0.000 0.240 68 R C 2.158 178.433 176.300 -0.042 0.000 1.139 68 R CA 1.491 57.594 56.100 0.004 0.000 0.952 68 R CB -0.853 29.461 30.300 0.024 0.000 0.854 68 R HN 0.181 nan 8.270 nan 0.000 0.436 69 L N -0.151 121.004 121.223 -0.114 0.000 2.017 69 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 69 L C 2.851 179.663 176.870 -0.096 0.000 1.073 69 L CA 1.935 56.668 54.840 -0.178 0.000 0.745 69 L CB -0.465 41.392 42.059 -0.336 0.000 0.894 69 L HN 0.270 nan 8.230 nan 0.000 0.432 70 R N 0.001 120.467 120.500 -0.057 0.000 2.081 70 R HA -0.174 4.166 4.340 -0.001 0.000 0.235 70 R C 2.331 178.633 176.300 0.002 0.000 1.131 70 R CA 1.509 57.602 56.100 -0.012 0.000 0.960 70 R CB -0.261 30.046 30.300 0.012 0.000 0.856 70 R HN 0.365 nan 8.270 nan 0.000 0.436 71 A N 0.674 123.498 122.820 0.006 0.000 1.933 71 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 71 A C 1.746 179.349 177.584 0.032 0.000 1.175 71 A CA 1.368 53.419 52.037 0.023 0.000 0.628 71 A CB -0.292 18.727 19.000 0.031 0.000 0.814 71 A HN 0.306 nan 8.150 nan 0.000 0.444 72 E N -1.312 118.898 120.200 0.017 0.000 2.347 72 E HA 0.068 4.418 4.350 -0.001 0.000 0.196 72 E C 1.281 177.894 176.600 0.022 0.000 1.008 72 E CA 0.813 57.228 56.400 0.026 0.000 0.852 72 E CB -0.196 29.491 29.700 -0.022 0.000 0.783 72 E HN 0.849 nan 8.360 nan 0.000 0.505 73 G N 0.741 109.548 108.800 0.012 0.000 2.134 73 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.209 73 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.209 73 G C 0.328 175.236 174.900 0.013 0.000 0.993 73 G CA 0.235 45.347 45.100 0.021 0.000 0.669 73 G HN 0.137 nan 8.290 nan 0.000 0.519 74 V N 0.647 120.554 119.914 -0.011 0.000 2.686 74 V HA 0.394 4.514 4.120 -0.001 0.000 0.295 74 V C 0.732 176.850 176.094 0.041 0.000 1.055 74 V CA -0.010 62.289 62.300 -0.002 0.000 1.050 74 V CB 1.599 33.390 31.823 -0.053 0.000 0.984 74 V HN 0.387 nan 8.190 nan 0.000 0.482 75 D N 3.310 123.764 120.400 0.090 0.000 2.339 75 D HA 0.249 4.888 4.640 -0.001 0.000 0.256 75 D C 0.478 176.884 176.300 0.177 0.000 1.214 75 D CA 0.039 54.122 54.000 0.139 0.000 0.877 75 D CB 0.589 41.510 40.800 0.202 0.000 1.111 75 D HN 0.456 nan 8.370 nan 0.000 0.478 76 L N 3.242 124.547 121.223 0.137 0.000 2.872 76 L HA 0.151 4.490 4.340 -0.001 0.000 0.245 76 L C 1.841 178.780 176.870 0.114 0.000 1.211 76 L CA -0.300 54.654 54.840 0.190 0.000 1.013 76 L CB -0.096 42.081 42.059 0.196 0.000 1.326 76 L HN 0.404 nan 8.230 nan 0.000 0.525 77 T N -0.827 113.720 114.554 -0.013 0.000 2.649 77 T HA -0.216 4.134 4.350 -0.001 0.000 0.268 77 T C 1.121 175.514 174.700 -0.511 0.000 1.036 77 T CA 1.606 63.518 62.100 -0.314 0.000 1.157 77 T CB -0.245 68.306 68.868 -0.528 0.000 0.861 77 T HN 0.419 nan 8.240 nan 0.000 0.445 78 H N -1.012 117.981 119.070 -0.128 0.000 2.507 78 H HA 0.374 4.929 4.556 -0.001 0.000 0.281 78 H C -0.955 174.432 175.328 0.098 0.000 1.160 78 H CA -0.465 55.558 56.048 -0.041 0.000 0.981 78 H CB -0.256 29.454 29.762 -0.088 0.000 1.665 78 H HN 0.276 nan 8.280 nan 0.000 0.554 79 F N 2.017 121.997 119.950 0.050 0.000 2.540 79 F HA 0.520 5.047 4.527 -0.001 0.000 0.317 79 F C -0.582 175.252 175.800 0.058 0.000 1.104 79 F CA -0.839 57.211 58.000 0.082 0.000 0.913 79 F CB 1.456 40.558 39.000 0.170 0.000 1.170 79 F HN 0.149 nan 8.300 nan 0.000 0.450 80 R N 3.771 123.794 120.500 -0.796 0.000 2.728 80 R HA 0.523 4.862 4.340 -0.001 0.000 0.274 80 R C -1.928 174.066 176.300 -0.509 0.000 1.032 80 R CA -1.206 54.627 56.100 -0.445 0.000 0.866 80 R CB 1.163 31.352 30.300 -0.185 0.000 1.263 80 R HN 0.717 nan 8.270 nan 0.000 0.475 81 R N 0.607 120.967 120.500 -0.232 0.000 2.357 81 R HA 0.685 5.025 4.340 -0.001 0.000 0.296 81 R C -0.704 175.524 176.300 -0.119 0.000 1.052 81 R CA 0.099 56.110 56.100 -0.148 0.000 0.988 81 R CB 1.783 32.059 30.300 -0.041 0.000 1.025 81 R HN 0.711 nan 8.270 nan 0.000 0.469 82 A N 4.274 127.030 122.820 -0.107 0.000 2.527 82 A HA 0.653 4.973 4.320 -0.001 0.000 0.293 82 A C -2.626 174.930 177.584 -0.048 0.000 1.117 82 A CA -2.073 49.916 52.037 -0.079 0.000 0.723 82 A CB 1.381 20.321 19.000 -0.101 0.000 1.313 82 A HN 0.433 nan 8.150 nan 0.000 0.411 83 P HA 0.398 nan 4.420 nan 0.000 0.266 83 P C 0.630 177.930 177.300 0.000 0.000 1.193 83 P CA 1.959 65.056 63.100 -0.005 0.000 0.770 83 P CB 0.508 32.206 31.700 -0.003 0.000 0.836 84 G N 1.043 109.870 108.800 0.046 0.000 2.362 84 G HA2 0.169 4.129 3.960 -0.001 0.000 0.517 84 G HA3 0.169 4.129 3.960 -0.001 0.000 0.517 84 G C -1.275 173.720 174.900 0.159 0.000 1.256 84 G CA -0.460 44.695 45.100 0.092 0.000 1.027 84 G HN 0.545 nan 8.290 nan 0.000 0.491 85 F N -1.456 118.504 119.950 0.017 0.000 2.639 85 F HA 0.905 5.432 4.527 -0.001 0.000 0.339 85 F C 0.149 175.975 175.800 0.043 0.000 1.071 85 F CA -0.724 57.294 58.000 0.029 0.000 0.994 85 F CB 1.507 40.528 39.000 0.035 0.000 1.341 85 F HN 0.546 nan 8.300 nan 0.000 0.498 86 T N 1.072 115.719 114.554 0.154 0.000 2.795 86 T HA 0.547 4.896 4.350 -0.001 0.000 0.282 86 T C 0.308 175.112 174.700 0.173 0.000 0.980 86 T CA -0.342 61.790 62.100 0.054 0.000 1.012 86 T CB 1.172 70.110 68.868 0.115 0.000 0.936 86 T HN 1.021 nan 8.240 nan 0.000 0.457 87 G N 2.084 110.920 108.800 0.059 0.000 2.491 87 G HA2 0.523 4.482 3.960 -0.001 0.000 0.242 87 G HA3 0.523 4.482 3.960 -0.001 0.000 0.242 87 G C -0.621 174.449 174.900 0.283 0.000 1.266 87 G CA -0.348 44.884 45.100 0.220 0.000 0.844 87 G HN 0.733 nan 8.290 nan 0.000 0.571 88 L N -0.334 121.106 121.223 0.362 0.000 2.491 88 L HA 0.941 5.281 4.340 -0.001 0.000 0.254 88 L C -1.010 176.126 176.870 0.443 0.000 1.048 88 L CA -1.746 53.285 54.840 0.317 0.000 0.855 88 L CB 1.704 43.869 42.059 0.177 0.000 1.466 88 L HN 0.825 nan 8.230 nan 0.000 0.409 89 Y N -0.461 119.940 120.300 0.169 0.000 2.609 89 Y HA 0.853 5.403 4.550 -0.001 0.000 0.336 89 Y C -2.241 173.716 175.900 0.095 0.000 1.129 89 Y CA -1.505 56.677 58.100 0.136 0.000 1.040 89 Y CB 1.219 39.633 38.460 -0.076 0.000 1.310 89 Y HN 0.615 nan 8.280 nan 0.000 0.460 90 L N 3.651 125.001 121.223 0.211 0.000 2.329 90 L HA 0.689 5.029 4.340 -0.001 0.000 0.279 90 L C -0.030 176.987 176.870 0.245 0.000 1.014 90 L CA -0.640 54.260 54.840 0.100 0.000 0.814 90 L CB 1.813 43.972 42.059 0.167 0.000 1.257 90 L HN 0.841 nan 8.230 nan 0.000 0.424 91 R N 1.465 122.022 120.500 0.094 0.000 2.902 91 R HA 0.767 5.106 4.340 -0.001 0.000 0.258 91 R C -1.247 175.068 176.300 0.025 0.000 1.071 91 R CA -0.650 55.530 56.100 0.133 0.000 1.024 91 R CB 1.759 32.159 30.300 0.167 0.000 1.184 91 R HN 0.776 nan 8.270 nan 0.000 0.492 92 E N 1.921 122.111 120.200 -0.016 0.000 2.406 92 E HA 0.108 4.457 4.350 -0.001 0.000 0.297 92 E C -2.012 174.522 176.600 -0.110 0.000 0.917 92 E CA -0.604 55.702 56.400 -0.157 0.000 0.795 92 E CB 0.924 30.617 29.700 -0.010 0.000 1.285 92 E HN 0.571 nan 8.360 nan 0.000 0.400 93 Y N 3.280 123.565 120.300 -0.026 0.000 2.342 93 Y HA 0.503 5.053 4.550 -0.001 0.000 0.338 93 Y C -0.091 175.766 175.900 -0.071 0.000 0.965 93 Y CA -1.251 56.824 58.100 -0.041 0.000 1.159 93 Y CB 0.596 39.043 38.460 -0.021 0.000 1.157 93 Y HN 0.280 nan 8.280 nan 0.000 0.486 94 L N 5.487 126.743 121.223 0.055 0.000 2.452 94 L HA 0.200 4.539 4.340 -0.001 0.000 0.267 94 L C -1.265 175.645 176.870 0.067 0.000 1.188 94 L CA -1.723 53.111 54.840 -0.010 0.000 0.821 94 L CB 0.910 42.935 42.059 -0.056 0.000 1.102 94 L HN 0.394 nan 8.230 nan 0.000 0.470 95 P HA -0.201 nan 4.420 nan 0.000 0.214 95 P C 1.415 178.746 177.300 0.050 0.000 1.169 95 P CA 1.523 64.664 63.100 0.069 0.000 0.908 95 P CB 0.172 31.915 31.700 0.073 0.000 0.791 96 L N -2.896 118.357 121.223 0.050 0.000 2.599 96 L HA 0.193 4.532 4.340 -0.001 0.000 0.230 96 L C 1.620 178.508 176.870 0.030 0.000 1.141 96 L CA 0.720 55.583 54.840 0.038 0.000 0.877 96 L CB -0.827 41.257 42.059 0.042 0.000 1.009 96 L HN 0.224 nan 8.230 nan 0.000 0.447 97 G N -0.687 108.133 108.800 0.034 0.000 2.213 97 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.226 97 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.226 97 G C 0.270 175.188 174.900 0.030 0.000 0.992 97 G CA -0.467 44.649 45.100 0.027 0.000 0.632 97 G HN 0.401 nan 8.290 nan 0.000 0.511 98 Q N 1.627 121.445 119.800 0.031 0.000 2.388 98 Q HA 0.500 4.839 4.340 -0.001 0.000 0.246 98 Q C 1.044 177.054 176.000 0.016 0.000 1.246 98 Q CA 0.657 56.476 55.803 0.027 0.000 0.895 98 Q CB 0.611 29.374 28.738 0.040 0.000 1.510 98 Q HN 0.577 nan 8.270 nan 0.000 0.503 99 G N 2.130 110.941 108.800 0.019 0.000 2.562 99 G HA2 0.535 4.495 3.960 -0.001 0.000 0.275 99 G HA3 0.535 4.495 3.960 -0.001 0.000 0.275 99 G C -0.587 174.298 174.900 -0.025 0.000 1.196 99 G CA -0.508 44.601 45.100 0.015 0.000 0.908 99 G HN 0.498 nan 8.290 nan 0.000 0.524 100 R N -0.912 119.551 120.500 -0.061 0.000 2.643 100 R HA 0.525 4.865 4.340 -0.001 0.000 0.269 100 R C -1.850 174.247 176.300 -0.339 0.000 1.037 100 R CA -0.531 55.458 56.100 -0.186 0.000 0.894 100 R CB 2.461 32.670 30.300 -0.150 0.000 1.238 100 R HN 0.409 nan 8.270 nan 0.000 0.459 101 V N 3.505 123.080 119.914 -0.565 0.000 2.823 101 V HA 0.619 4.739 4.120 -0.001 0.000 0.312 101 V C -1.250 174.280 176.094 -0.940 0.000 1.072 101 V CA -0.649 61.292 62.300 -0.598 0.000 0.937 101 V CB 2.047 33.609 31.823 -0.434 0.000 1.013 101 V HN 0.556 nan 8.190 nan 0.000 0.430 102 F N 2.963 122.836 119.950 -0.127 0.000 2.507 102 F HA 0.651 5.178 4.527 -0.001 0.000 0.328 102 F C -0.470 175.278 175.800 -0.088 0.000 1.136 102 F CA -0.689 57.277 58.000 -0.057 0.000 0.930 102 F CB 1.172 40.216 39.000 0.074 0.000 1.166 102 F HN 0.321 nan 8.300 nan 0.000 0.436 103 Y N 1.451 121.804 120.300 0.088 0.000 2.403 103 Y HA 0.498 5.047 4.550 -0.001 0.000 0.323 103 Y C -0.641 175.184 175.900 -0.126 0.000 1.226 103 Y CA -0.893 57.263 58.100 0.093 0.000 1.235 103 Y CB 1.119 39.586 38.460 0.012 0.000 1.248 103 Y HN 0.476 nan 8.280 nan 0.000 0.489 104 Y N 0.995 121.513 120.300 0.363 0.000 2.640 104 Y HA 0.271 4.821 4.550 -0.001 0.000 0.295 104 Y C 0.376 176.487 175.900 0.353 0.000 1.023 104 Y CA -0.740 57.522 58.100 0.270 0.000 1.163 104 Y CB 0.557 39.133 38.460 0.193 0.000 1.145 104 Y HN 0.598 nan 8.280 nan 0.000 0.609 105 R N -1.027 119.723 120.500 0.417 0.000 2.544 105 R HA 0.246 4.585 4.340 -0.001 0.000 0.303 105 R C 0.156 176.603 176.300 0.245 0.000 0.939 105 R CA -0.558 55.754 56.100 0.352 0.000 1.102 105 R CB 0.447 30.883 30.300 0.228 0.000 1.440 105 R HN 0.044 nan 8.270 nan 0.000 0.532 106 K N 1.781 122.317 120.400 0.227 0.000 2.472 106 K HA 0.082 4.401 4.320 -0.001 0.000 0.280 106 K C 0.352 177.106 176.600 0.256 0.000 1.028 106 K CA 1.524 57.898 56.287 0.145 0.000 1.045 106 K CB 0.271 32.822 32.500 0.085 0.000 0.902 106 K HN 0.467 nan 8.250 nan 0.000 0.478 107 G N 2.566 111.429 108.800 0.105 0.000 2.143 107 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.249 107 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.249 107 G C -0.005 174.842 174.900 -0.089 0.000 0.981 107 G CA 0.381 45.549 45.100 0.112 0.000 0.665 107 G HN 0.844 nan 8.290 nan 0.000 0.528 108 S N -0.301 115.120 115.700 -0.465 0.000 2.585 108 S HA 0.675 5.144 4.470 -0.001 0.000 0.273 108 S C 1.847 176.131 174.600 -0.526 0.000 1.339 108 S CA 0.522 58.058 58.200 -1.107 0.000 1.028 108 S CB 1.725 64.413 63.200 -0.854 0.000 0.906 108 S HN 1.735 nan 8.310 nan 0.000 0.528 109 A N 2.638 125.169 122.820 -0.483 0.000 1.948 109 A HA 0.042 4.361 4.320 -0.001 0.000 0.220 109 A C 2.169 179.630 177.584 -0.204 0.000 1.177 109 A CA 1.831 53.720 52.037 -0.246 0.000 0.636 109 A CB -1.735 17.155 19.000 -0.183 0.000 0.815 109 A HN 1.203 nan 8.150 nan 0.000 0.449 110 G N -0.568 108.110 108.800 -0.203 0.000 2.484 110 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.218 110 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.218 110 G C 1.629 176.449 174.900 -0.133 0.000 1.130 110 G CA 1.336 46.362 45.100 -0.124 0.000 0.784 110 G HN 0.914 nan 8.290 nan 0.000 0.543 111 S N 0.067 115.671 115.700 -0.161 0.000 2.593 111 S HA 0.523 4.992 4.470 -0.001 0.000 0.217 111 S C 2.168 176.682 174.600 -0.143 0.000 0.966 111 S CA 0.821 58.935 58.200 -0.144 0.000 0.914 111 S CB 0.319 63.438 63.200 -0.135 0.000 0.776 111 S HN 0.429 nan 8.310 nan 0.000 0.523 112 A N 2.450 125.180 122.820 -0.150 0.000 1.825 112 A HA 0.294 4.613 4.320 -0.001 0.000 0.214 112 A C 1.083 178.570 177.584 -0.161 0.000 1.206 112 A CA 0.528 52.484 52.037 -0.135 0.000 0.609 112 A CB -1.090 17.833 19.000 -0.128 0.000 0.851 112 A HN 0.637 nan 8.150 nan 0.000 0.445 113 L N -0.979 120.102 121.223 -0.236 0.000 4.266 113 L HA -0.179 4.160 4.340 -0.001 0.000 0.561 113 L C 0.263 176.981 176.870 -0.253 0.000 0.996 113 L CA 0.151 54.750 54.840 -0.402 0.000 0.786 113 L CB -1.169 40.505 42.059 -0.643 0.000 0.591 113 L HN 0.631 nan 8.230 nan 0.000 0.996 114 A N 5.429 128.176 122.820 -0.121 0.000 2.423 114 A HA 0.896 5.215 4.320 -0.001 0.000 0.304 114 A C -2.500 175.196 177.584 0.187 0.000 1.104 114 A CA -1.742 50.324 52.037 0.048 0.000 0.757 114 A CB 1.409 20.384 19.000 -0.043 0.000 1.313 114 A HN 0.408 nan 8.150 nan 0.000 0.423 115 P HA 0.224 nan 4.420 nan 0.000 0.263 115 P C 0.953 177.656 177.300 -0.995 0.000 1.175 115 P CA 2.442 65.240 63.100 -0.504 0.000 0.761 115 P CB 0.472 31.848 31.700 -0.541 0.000 0.794 116 G N 2.683 110.192 108.800 -2.151 0.000 2.157 116 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.248 116 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.248 116 G C 1.156 175.806 174.900 -0.416 0.000 0.979 116 G CA 0.328 44.641 45.100 -1.312 0.000 0.650 116 G HN 0.680 nan 8.290 nan 0.000 0.529 117 A N -0.776 122.015 122.820 -0.047 0.000 2.148 117 A HA 0.381 4.701 4.320 -0.001 0.000 0.222 117 A C 0.927 178.677 177.584 0.277 0.000 1.161 117 A CA 2.106 54.255 52.037 0.185 0.000 0.662 117 A CB -0.513 18.662 19.000 0.292 0.000 0.799 117 A HN 1.986 nan 8.150 nan 0.000 0.466 118 F N -3.668 116.396 119.950 0.189 0.000 2.745 118 F HA 0.578 5.105 4.527 -0.001 0.000 0.316 118 F C -1.065 174.702 175.800 -0.054 0.000 1.155 118 F CA -1.786 56.160 58.000 -0.089 0.000 0.937 118 F CB 0.598 39.453 39.000 -0.241 0.000 1.361 118 F HN -0.141 nan 8.300 nan 0.000 0.472 119 D N 2.332 122.622 120.400 -0.184 0.000 2.325 119 D HA 0.291 4.931 4.640 -0.001 0.000 0.251 119 D C -1.921 174.465 176.300 0.144 0.000 1.196 119 D CA -1.957 52.031 54.000 -0.020 0.000 0.866 119 D CB 1.723 42.608 40.800 0.142 0.000 1.101 119 D HN 0.252 nan 8.370 nan 0.000 0.476 120 P HA -0.150 nan 4.420 nan 0.000 0.217 120 P C 0.745 178.184 177.300 0.230 0.000 1.148 120 P CA 0.905 64.021 63.100 0.027 0.000 0.834 120 P CB 0.297 31.949 31.700 -0.079 0.000 0.783 121 D N -2.141 118.380 120.400 0.202 0.000 2.309 121 D HA -0.193 4.446 4.640 -0.001 0.000 0.212 121 D C 1.724 178.197 176.300 0.289 0.000 0.968 121 D CA 0.788 54.904 54.000 0.193 0.000 0.882 121 D CB -0.482 40.413 40.800 0.158 0.000 0.918 121 D HN 0.358 nan 8.370 nan 0.000 0.503 122 Y N 1.436 121.879 120.300 0.239 0.000 2.128 122 Y HA -0.232 4.318 4.550 -0.001 0.000 0.284 122 Y C 2.338 178.312 175.900 0.123 0.000 1.154 122 Y CA 0.807 59.035 58.100 0.213 0.000 1.149 122 Y CB -0.104 38.494 38.460 0.230 0.000 0.976 122 Y HN -0.101 nan 8.280 nan 0.000 0.505 123 L N 0.731 122.059 121.223 0.175 0.000 2.261 123 L HA -0.205 4.134 4.340 -0.001 0.000 0.216 123 L C 0.970 177.834 176.870 -0.010 0.000 1.114 123 L CA 0.742 55.575 54.840 -0.012 0.000 0.777 123 L CB -0.667 41.417 42.059 0.041 0.000 0.910 123 L HN 0.269 nan 8.230 nan 0.000 0.440 124 E N 0.093 120.323 120.200 0.051 0.000 2.465 124 E HA 0.074 4.424 4.350 -0.001 0.000 0.260 124 E C 1.167 177.776 176.600 0.015 0.000 0.980 124 E CA 0.669 57.088 56.400 0.031 0.000 0.927 124 E CB 0.358 30.091 29.700 0.056 0.000 0.934 124 E HN 0.316 nan 8.360 nan 0.000 0.459 125 G N 2.616 111.415 108.800 -0.002 0.000 2.205 125 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.261 125 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.261 125 G C 0.299 175.190 174.900 -0.016 0.000 0.980 125 G CA 0.226 45.324 45.100 -0.003 0.000 0.632 125 G HN 0.506 nan 8.290 nan 0.000 0.533 126 V N 2.182 122.075 119.914 -0.036 0.000 2.715 126 V HA 0.303 4.422 4.120 -0.001 0.000 0.299 126 V C 1.919 177.986 176.094 -0.045 0.000 1.054 126 V CA -0.077 62.199 62.300 -0.041 0.000 1.077 126 V CB 1.341 33.113 31.823 -0.085 0.000 0.972 126 V HN 0.312 nan 8.190 nan 0.000 0.484 127 R N 2.390 122.898 120.500 0.013 0.000 2.055 127 R HA 0.094 4.433 4.340 -0.001 0.000 0.228 127 R C -0.129 176.062 176.300 -0.181 0.000 1.143 127 R CA 1.350 57.450 56.100 0.000 0.000 0.945 127 R CB -0.172 30.305 30.300 0.295 0.000 0.841 127 R HN 0.555 nan 8.270 nan 0.000 0.429 128 F N -1.054 118.873 119.950 -0.039 0.000 2.613 128 F HA 0.415 4.941 4.527 -0.000 0.000 0.314 128 F C -0.640 175.150 175.800 -0.017 0.000 1.075 128 F CA -1.367 56.625 58.000 -0.014 0.000 0.945 128 F CB 1.326 40.335 39.000 0.015 0.000 1.310 128 F HN -0.238 nan 8.300 nan 0.000 0.467 129 L N 2.301 123.649 121.223 0.209 0.000 2.343 129 L HA 0.518 4.857 4.340 -0.001 0.000 0.278 129 L C -1.320 175.671 176.870 0.202 0.000 0.996 129 L CA -0.319 54.594 54.840 0.120 0.000 0.831 129 L CB 0.777 42.850 42.059 0.023 0.000 1.232 129 L HN 0.687 nan 8.230 nan 0.000 0.413 130 H N 4.702 123.839 119.070 0.112 0.000 2.463 130 H HA 0.827 5.382 4.556 -0.001 0.000 0.332 130 H C -1.425 173.981 175.328 0.131 0.000 1.127 130 H CA -0.381 55.746 56.048 0.132 0.000 1.238 130 H CB 1.182 31.001 29.762 0.095 0.000 1.478 130 H HN 0.692 nan 8.280 nan 0.000 0.499 131 L N 2.513 123.296 121.223 -0.733 0.000 2.409 131 L HA 0.424 4.763 4.340 -0.001 0.000 0.255 131 L C -0.639 175.956 176.870 -0.459 0.000 1.027 131 L CA -1.041 53.559 54.840 -0.400 0.000 0.834 131 L CB 2.275 44.291 42.059 -0.071 0.000 1.426 131 L HN 0.608 nan 8.230 nan 0.000 0.411 132 S N -0.762 114.861 115.700 -0.129 0.000 2.532 132 S HA 0.518 4.987 4.470 -0.001 0.000 0.301 132 S C 0.786 175.389 174.600 0.004 0.000 1.083 132 S CA -0.000 58.189 58.200 -0.018 0.000 1.025 132 S CB 1.766 64.997 63.200 0.052 0.000 1.056 132 S HN 0.807 nan 8.310 nan 0.000 0.494 133 G N 2.604 111.433 108.800 0.050 0.000 2.708 133 G HA2 0.024 3.983 3.960 -0.001 0.000 0.210 133 G HA3 0.024 3.983 3.960 -0.001 0.000 0.210 133 G C 0.941 175.842 174.900 0.002 0.000 1.141 133 G CA 0.394 45.524 45.100 0.050 0.000 0.788 133 G HN 0.746 nan 8.290 nan 0.000 0.531 134 I N 0.451 120.999 120.570 -0.037 0.000 2.333 134 I HA -0.099 4.071 4.170 -0.001 0.000 0.246 134 I C 2.885 178.872 176.117 -0.216 0.000 1.106 134 I CA 1.058 62.285 61.300 -0.121 0.000 1.411 134 I CB -0.458 37.501 38.000 -0.069 0.000 1.082 134 I HN 0.029 nan 8.210 nan 0.000 0.420 135 T N 2.250 116.723 114.554 -0.135 0.000 2.622 135 T HA -0.102 4.247 4.350 -0.001 0.000 0.266 135 T C -0.434 174.140 174.700 -0.210 0.000 1.047 135 T CA 1.692 63.720 62.100 -0.120 0.000 1.159 135 T CB -1.578 67.291 68.868 0.001 0.000 0.863 135 T HN 0.309 nan 8.240 nan 0.000 0.422 136 P HA 0.048 nan 4.420 nan 0.000 0.225 136 P C 1.014 177.891 177.300 -0.705 0.000 1.148 136 P CA 1.099 63.985 63.100 -0.357 0.000 0.779 136 P CB -0.117 31.205 31.700 -0.631 0.000 0.780 137 A N -0.439 121.768 122.820 -1.022 0.000 2.123 137 A HA 0.048 4.368 4.320 -0.001 0.000 0.214 137 A C 2.317 179.383 177.584 -0.863 0.000 1.152 137 A CA 0.337 51.383 52.037 -1.652 0.000 0.728 137 A CB -1.117 16.717 19.000 -1.942 0.000 0.814 137 A HN 0.099 nan 8.150 nan 0.000 0.464 138 L N -0.050 120.856 121.223 -0.529 0.000 1.976 138 L HA -0.046 4.293 4.340 -0.001 0.000 0.209 138 L C 1.368 178.084 176.870 -0.258 0.000 1.071 138 L CA 1.375 56.011 54.840 -0.339 0.000 0.746 138 L CB -0.683 41.234 42.059 -0.236 0.000 0.890 138 L HN 0.572 nan 8.230 nan 0.000 0.432 139 S N -3.546 112.030 115.700 -0.207 0.000 2.596 139 S HA 0.394 4.864 4.470 -0.001 0.000 0.270 139 S C -2.466 172.091 174.600 -0.071 0.000 1.155 139 S CA -1.155 56.972 58.200 -0.123 0.000 0.827 139 S CB 1.719 64.866 63.200 -0.089 0.000 1.130 139 S HN -0.259 nan 8.310 nan 0.000 0.467 140 P HA -0.015 nan 4.420 nan 0.000 0.220 140 P C 0.839 178.170 177.300 0.052 0.000 1.148 140 P CA 1.194 64.314 63.100 0.033 0.000 0.803 140 P CB 0.080 31.801 31.700 0.035 0.000 0.782 141 E N -0.094 120.120 120.200 0.023 0.000 2.017 141 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 141 E C 2.166 178.825 176.600 0.099 0.000 0.997 141 E CA 1.663 58.085 56.400 0.036 0.000 0.804 141 E CB -1.493 28.199 29.700 -0.012 0.000 0.757 141 E HN 0.070 nan 8.360 nan 0.000 0.448 142 A N 1.159 124.008 122.820 0.048 0.000 1.859 142 A HA -0.332 3.987 4.320 -0.001 0.000 0.217 142 A C 2.219 179.935 177.584 0.219 0.000 1.198 142 A CA 2.546 54.639 52.037 0.094 0.000 0.629 142 A CB -0.800 18.176 19.000 -0.040 0.000 0.830 142 A HN 0.216 nan 8.150 nan 0.000 0.446 143 R N -0.297 120.285 120.500 0.136 0.000 2.133 143 R HA -0.219 4.120 4.340 -0.001 0.000 0.245 143 R C 2.208 178.709 176.300 0.334 0.000 1.137 143 R CA 2.379 58.635 56.100 0.260 0.000 0.947 143 R CB -0.636 29.805 30.300 0.236 0.000 0.865 143 R HN 0.457 nan 8.270 nan 0.000 0.437 144 A N 0.065 123.031 122.820 0.243 0.000 1.877 144 A HA -0.168 4.152 4.320 -0.001 0.000 0.216 144 A C 2.105 179.855 177.584 0.278 0.000 1.186 144 A CA 1.411 53.576 52.037 0.213 0.000 0.620 144 A CB -0.950 18.132 19.000 0.138 0.000 0.822 144 A HN 0.580 nan 8.150 nan 0.000 0.443 145 F N 1.992 122.045 119.950 0.172 0.000 2.063 145 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 145 F C 2.542 178.551 175.800 0.348 0.000 1.109 145 F CA 2.202 60.358 58.000 0.261 0.000 1.212 145 F CB -0.589 38.515 39.000 0.174 0.000 0.973 145 F HN 0.242 nan 8.300 nan 0.000 0.480 146 S N 1.658 117.556 115.700 0.330 0.000 2.369 146 S HA -0.282 4.188 4.470 -0.001 0.000 0.225 146 S C 2.072 176.735 174.600 0.104 0.000 1.043 146 S CA 2.047 60.380 58.200 0.222 0.000 1.074 146 S CB -1.098 62.349 63.200 0.412 0.000 0.962 146 S HN 0.480 nan 8.310 nan 0.000 0.433 147 L N -0.303 121.028 121.223 0.179 0.000 1.990 147 L HA -0.186 4.153 4.340 -0.001 0.000 0.213 147 L C 2.445 179.324 176.870 0.016 0.000 1.072 147 L CA 1.949 56.833 54.840 0.073 0.000 0.755 147 L CB -0.783 41.319 42.059 0.070 0.000 0.889 147 L HN 0.447 nan 8.230 nan 0.000 0.432 148 W N 1.192 122.419 121.300 -0.122 0.000 2.317 148 W HA -0.316 4.343 4.660 -0.001 0.000 0.318 148 W C 2.590 178.969 176.519 -0.234 0.000 1.227 148 W CA 2.138 59.378 57.345 -0.176 0.000 1.269 148 W CB -0.455 28.881 29.460 -0.207 0.000 1.155 148 W HN 0.157 nan 8.180 nan 0.000 0.484 149 A N 1.252 123.725 122.820 -0.578 0.000 1.865 149 A HA -0.270 4.050 4.320 -0.001 0.000 0.217 149 A C 2.176 179.463 177.584 -0.496 0.000 1.191 149 A CA 3.006 54.572 52.037 -0.786 0.000 0.623 149 A CB -1.292 17.337 19.000 -0.618 0.000 0.826 149 A HN 0.605 nan 8.150 nan 0.000 0.444 150 M N -1.798 117.636 119.600 -0.276 0.000 2.319 150 M HA 0.032 4.511 4.480 -0.001 0.000 0.265 150 M C 1.775 177.952 176.300 -0.205 0.000 1.068 150 M CA 2.060 57.254 55.300 -0.177 0.000 1.118 150 M CB -0.564 31.993 32.600 -0.072 0.000 1.395 150 M HN 0.470 nan 8.290 nan 0.000 0.435 151 E N 1.265 121.316 120.200 -0.248 0.000 2.038 151 E HA -0.261 4.089 4.350 -0.001 0.000 0.195 151 E C 1.919 178.360 176.600 -0.264 0.000 1.000 151 E CA 1.916 58.188 56.400 -0.213 0.000 0.803 151 E CB 0.037 29.621 29.700 -0.193 0.000 0.750 151 E HN 0.573 nan 8.360 nan 0.000 0.448 152 E N -0.060 119.867 120.200 -0.454 0.000 2.110 152 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 152 E C 1.626 178.073 176.600 -0.256 0.000 0.988 152 E CA 1.238 57.382 56.400 -0.426 0.000 0.804 152 E CB -0.172 29.066 29.700 -0.771 0.000 0.745 152 E HN 0.348 nan 8.360 nan 0.000 0.458 153 A N 0.447 123.128 122.820 -0.232 0.000 1.898 153 A HA -0.168 4.152 4.320 -0.001 0.000 0.216 153 A C 2.085 179.594 177.584 -0.124 0.000 1.181 153 A CA 1.812 53.762 52.037 -0.144 0.000 0.620 153 A CB -0.469 18.458 19.000 -0.122 0.000 0.819 153 A HN 0.185 nan 8.150 nan 0.000 0.442 154 K N 0.087 120.411 120.400 -0.127 0.000 1.991 154 K HA -0.166 4.153 4.320 -0.001 0.000 0.212 154 K C 2.209 178.754 176.600 -0.092 0.000 1.049 154 K CA 1.827 58.052 56.287 -0.102 0.000 0.932 154 K CB -0.321 32.123 32.500 -0.094 0.000 0.717 154 K HN 0.345 nan 8.250 nan 0.000 0.441 155 R N 0.097 120.537 120.500 -0.100 0.000 2.211 155 R HA -0.114 4.226 4.340 -0.001 0.000 0.240 155 R C 1.409 177.668 176.300 -0.068 0.000 1.144 155 R CA 1.564 57.616 56.100 -0.080 0.000 0.992 155 R CB -0.010 30.235 30.300 -0.090 0.000 0.869 155 R HN 0.130 nan 8.270 nan 0.000 0.462 156 R N -1.258 119.196 120.500 -0.077 0.000 2.468 156 R HA 0.118 4.458 4.340 -0.001 0.000 0.280 156 R C 0.202 176.463 176.300 -0.065 0.000 0.963 156 R CA 0.556 56.620 56.100 -0.059 0.000 1.083 156 R CB 0.896 31.165 30.300 -0.051 0.000 1.200 156 R HN 0.413 nan 8.270 nan 0.000 0.541 157 G N 0.897 109.650 108.800 -0.077 0.000 2.221 157 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.265 157 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.265 157 G C -0.150 174.676 174.900 -0.123 0.000 1.041 157 G CA 0.311 45.358 45.100 -0.089 0.000 0.807 157 G HN 0.152 nan 8.290 nan 0.000 0.502 158 V N 1.340 121.176 119.914 -0.130 0.000 2.427 158 V HA 0.451 4.571 4.120 -0.001 0.000 0.286 158 V C 1.033 177.003 176.094 -0.207 0.000 1.034 158 V CA -1.138 61.063 62.300 -0.166 0.000 0.893 158 V CB 1.496 33.249 31.823 -0.117 0.000 0.982 158 V HN 0.363 nan 8.190 nan 0.000 0.452 159 R N 2.863 123.137 120.500 -0.376 0.000 2.489 159 R HA 0.292 4.632 4.340 -0.001 0.000 0.287 159 R C -0.728 175.504 176.300 -0.113 0.000 1.053 159 R CA -0.222 55.635 56.100 -0.405 0.000 1.036 159 R CB 1.084 30.730 30.300 -1.090 0.000 0.966 159 R HN 0.480 nan 8.270 nan 0.000 0.432 160 V N 2.610 122.523 119.914 -0.000 0.000 2.364 160 V HA 0.104 4.224 4.120 -0.001 0.000 0.272 160 V C 0.434 176.646 176.094 0.198 0.000 1.036 160 V CA -0.183 62.172 62.300 0.091 0.000 0.880 160 V CB 1.442 33.287 31.823 0.037 0.000 0.991 160 V HN 0.729 nan 8.190 nan 0.000 0.460 161 S N 5.856 121.736 115.700 0.300 0.000 2.454 161 S HA 0.802 5.271 4.470 -0.001 0.000 0.306 161 S C -1.078 173.710 174.600 0.314 0.000 1.100 161 S CA -0.576 57.871 58.200 0.412 0.000 1.087 161 S CB 1.233 64.808 63.200 0.624 0.000 1.019 161 S HN 0.633 nan 8.310 nan 0.000 0.480 162 L N 4.219 125.641 121.223 0.332 0.000 2.438 162 L HA 0.659 4.999 4.340 -0.001 0.000 0.270 162 L C -1.450 175.645 176.870 0.375 0.000 0.972 162 L CA -0.309 54.654 54.840 0.205 0.000 0.831 162 L CB 2.079 44.236 42.059 0.164 0.000 1.273 162 L HN 0.652 nan 8.230 nan 0.000 0.405 163 D N 3.994 124.575 120.400 0.302 0.000 2.412 163 D HA 0.238 4.877 4.640 -0.001 0.000 0.224 163 D C 1.133 177.559 176.300 0.210 0.000 1.093 163 D CA -0.251 53.953 54.000 0.340 0.000 0.850 163 D CB 1.546 42.518 40.800 0.287 0.000 1.046 163 D HN 0.431 nan 8.370 nan 0.000 0.507 164 V N 3.989 124.031 119.914 0.214 0.000 2.226 164 V HA -0.346 3.774 4.120 -0.001 0.000 0.254 164 V C 0.955 177.159 176.094 0.183 0.000 1.065 164 V CA 1.677 64.091 62.300 0.189 0.000 1.039 164 V CB -0.904 31.023 31.823 0.172 0.000 0.653 164 V HN 0.800 nan 8.190 nan 0.000 0.450 165 N N -0.189 118.611 118.700 0.166 0.000 2.667 165 N HA -0.242 4.498 4.740 -0.001 0.000 0.263 165 N C -0.535 175.083 175.510 0.180 0.000 1.038 165 N CA 0.700 53.834 53.050 0.141 0.000 0.749 165 N CB -1.061 37.485 38.487 0.098 0.000 0.892 165 N HN 0.741 nan 8.380 nan 0.000 0.546 166 Y N 1.366 121.726 120.300 0.100 0.000 2.496 166 Y HA 0.171 4.721 4.550 -0.001 0.000 0.334 166 Y C 0.396 176.369 175.900 0.123 0.000 1.080 166 Y CA -0.072 58.104 58.100 0.127 0.000 1.355 166 Y CB 0.531 39.022 38.460 0.051 0.000 1.193 166 Y HN 0.031 nan 8.280 nan 0.000 0.523 167 R N 6.574 126.755 120.500 -0.532 0.000 2.246 167 R HA 0.136 4.475 4.340 -0.001 0.000 0.332 167 R C 0.693 176.457 176.300 -0.893 0.000 0.974 167 R CA -0.323 55.460 56.100 -0.529 0.000 0.837 167 R CB 1.290 31.419 30.300 -0.284 0.000 1.145 167 R HN 0.928 nan 8.270 nan 0.000 0.467 168 Q N 0.348 119.677 119.800 -0.786 0.000 2.170 168 Q HA -0.109 4.231 4.340 -0.001 0.000 0.203 168 Q C 0.941 176.857 176.000 -0.139 0.000 0.976 168 Q CA 1.622 57.211 55.803 -0.357 0.000 0.858 168 Q CB 0.066 28.831 28.738 0.044 0.000 0.907 168 Q HN 0.487 nan 8.270 nan 0.000 0.433 169 T N 1.623 116.071 114.554 -0.176 0.000 2.788 169 T HA -0.093 4.256 4.350 -0.001 0.000 0.268 169 T C 1.834 176.432 174.700 -0.170 0.000 1.044 169 T CA 0.947 62.954 62.100 -0.155 0.000 1.139 169 T CB -0.078 68.653 68.868 -0.228 0.000 0.867 169 T HN 0.210 nan 8.240 nan 0.000 0.454 170 L N -1.101 119.992 121.223 -0.216 0.000 2.127 170 L HA 0.173 4.512 4.340 -0.001 0.000 0.203 170 L C 0.890 177.750 176.870 -0.016 0.000 1.080 170 L CA 0.367 55.057 54.840 -0.249 0.000 0.768 170 L CB -0.111 41.649 42.059 -0.498 0.000 0.924 170 L HN 0.464 nan 8.230 nan 0.000 0.444 171 W N -1.608 119.606 121.300 -0.143 0.000 2.895 171 W HA 0.479 5.138 4.660 -0.001 0.000 0.377 171 W C -0.527 176.085 176.519 0.156 0.000 1.191 171 W CA -1.932 55.413 57.345 0.000 0.000 1.179 171 W CB -0.177 29.300 29.460 0.028 0.000 1.469 171 W HN -0.158 nan 8.180 nan 0.000 0.577 172 S N 0.033 115.911 115.700 0.298 0.000 2.632 172 S HA 0.489 4.958 4.470 -0.001 0.000 0.271 172 S C -1.871 172.685 174.600 -0.074 0.000 1.260 172 S CA -0.821 57.461 58.200 0.138 0.000 1.010 172 S CB 2.221 65.454 63.200 0.055 0.000 0.965 172 S HN 0.235 nan 8.310 nan 0.000 0.534 173 P HA -0.048 nan 4.420 nan 0.000 0.219 173 P C 0.772 177.855 177.300 -0.361 0.000 1.146 173 P CA 1.091 63.902 63.100 -0.482 0.000 0.808 173 P CB 0.058 31.496 31.700 -0.437 0.000 0.779 174 E N -0.155 119.902 120.200 -0.238 0.000 2.028 174 E HA -0.155 4.195 4.350 -0.001 0.000 0.190 174 E C 1.941 178.424 176.600 -0.195 0.000 0.984 174 E CA 1.152 57.438 56.400 -0.191 0.000 0.800 174 E CB -0.852 28.782 29.700 -0.111 0.000 0.758 174 E HN 0.350 nan 8.360 nan 0.000 0.448 175 E N 0.687 120.776 120.200 -0.184 0.000 2.058 175 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 175 E C 2.070 178.373 176.600 -0.496 0.000 0.997 175 E CA 1.100 57.397 56.400 -0.170 0.000 0.801 175 E CB -0.241 29.481 29.700 0.036 0.000 0.746 175 E HN 0.275 nan 8.360 nan 0.000 0.450 176 A N 1.441 123.710 122.820 -0.917 0.000 1.865 176 A HA -0.261 4.059 4.320 -0.001 0.000 0.217 176 A C 2.096 179.479 177.584 -0.336 0.000 1.191 176 A CA 1.755 53.194 52.037 -0.997 0.000 0.623 176 A CB -0.558 17.998 19.000 -0.740 0.000 0.826 176 A HN 0.079 nan 8.150 nan 0.000 0.444 177 R N -1.135 119.199 120.500 -0.276 0.000 2.094 177 R HA -0.163 4.176 4.340 -0.001 0.000 0.239 177 R C 2.414 178.681 176.300 -0.056 0.000 1.137 177 R CA 1.534 57.543 56.100 -0.151 0.000 0.943 177 R CB -0.814 29.332 30.300 -0.255 0.000 0.850 177 R HN 0.564 nan 8.270 nan 0.000 0.433 178 G N 0.186 108.944 108.800 -0.070 0.000 2.476 178 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.218 178 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.218 178 G C 1.250 176.174 174.900 0.040 0.000 1.164 178 G CA 0.820 45.914 45.100 -0.009 0.000 0.768 178 G HN 0.332 nan 8.290 nan 0.000 0.560 179 F N 1.316 121.250 119.950 -0.027 0.000 2.046 179 F HA -0.094 4.433 4.527 -0.000 0.000 0.297 179 F C 2.612 178.455 175.800 0.073 0.000 1.123 179 F CA 1.618 59.667 58.000 0.081 0.000 1.199 179 F CB -0.364 38.750 39.000 0.189 0.000 0.972 179 F HN 0.059 nan 8.300 nan 0.000 0.474 180 L N 0.174 121.557 121.223 0.267 0.000 1.997 180 L HA -0.295 4.045 4.340 -0.001 0.000 0.216 180 L C 2.406 179.294 176.870 0.030 0.000 1.074 180 L CA 2.103 57.053 54.840 0.184 0.000 0.763 180 L CB -1.083 41.104 42.059 0.213 0.000 0.890 180 L HN 0.232 nan 8.230 nan 0.000 0.434 181 E N -0.462 119.755 120.200 0.029 0.000 2.171 181 E HA -0.269 4.080 4.350 -0.001 0.000 0.197 181 E C 2.326 178.896 176.600 -0.051 0.000 0.997 181 E CA 1.099 57.503 56.400 0.006 0.000 0.810 181 E CB -0.124 29.584 29.700 0.013 0.000 0.738 181 E HN 0.336 nan 8.360 nan 0.000 0.467 182 R N -0.051 120.378 120.500 -0.118 0.000 2.161 182 R HA 0.030 4.370 4.340 -0.001 0.000 0.213 182 R C 1.954 178.130 176.300 -0.207 0.000 1.055 182 R CA 0.934 56.937 56.100 -0.163 0.000 0.996 182 R CB 0.110 30.284 30.300 -0.210 0.000 0.901 182 R HN 0.119 nan 8.270 nan 0.000 0.456 183 A N 0.935 123.591 122.820 -0.273 0.000 1.956 183 A HA -0.027 4.292 4.320 -0.001 0.000 0.212 183 A C 1.846 179.394 177.584 -0.060 0.000 1.188 183 A CA 0.155 52.067 52.037 -0.210 0.000 0.675 183 A CB -0.387 18.444 19.000 -0.283 0.000 0.845 183 A HN 0.294 nan 8.150 nan 0.000 0.455 184 L N 1.124 122.334 121.223 -0.022 0.000 2.054 184 L HA -0.157 4.182 4.340 -0.001 0.000 0.220 184 L C -0.779 176.086 176.870 -0.009 0.000 1.081 184 L CA 2.818 57.661 54.840 0.004 0.000 0.780 184 L CB -1.937 40.125 42.059 0.006 0.000 0.893 184 L HN 0.150 nan 8.230 nan 0.000 0.438 185 P HA -0.147 nan 4.420 nan 0.000 0.218 185 P C 1.329 178.614 177.300 -0.024 0.000 1.154 185 P CA 2.059 65.144 63.100 -0.025 0.000 0.872 185 P CB -0.409 31.271 31.700 -0.033 0.000 0.790 186 G N -1.708 107.076 108.800 -0.027 0.000 3.141 186 G HA2 0.152 4.111 3.960 -0.001 0.000 0.218 186 G HA3 0.152 4.111 3.960 -0.001 0.000 0.218 186 G C 0.090 174.985 174.900 -0.008 0.000 1.170 186 G CA -0.025 45.059 45.100 -0.027 0.000 0.769 186 G HN 0.149 nan 8.290 nan 0.000 0.546 187 V N 1.038 120.957 119.914 0.009 0.000 2.481 187 V HA 0.279 4.399 4.120 -0.001 0.000 0.286 187 V C 0.158 176.268 176.094 0.026 0.000 1.042 187 V CA -0.473 61.847 62.300 0.034 0.000 0.928 187 V CB 1.756 33.611 31.823 0.054 0.000 0.986 187 V HN 0.120 nan 8.190 nan 0.000 0.462 188 D N 2.458 122.884 120.400 0.043 0.000 2.431 188 D HA 0.202 4.842 4.640 -0.001 0.000 0.227 188 D C -0.035 176.307 176.300 0.069 0.000 1.030 188 D CA 0.355 54.378 54.000 0.040 0.000 0.897 188 D CB 0.559 41.370 40.800 0.019 0.000 1.058 188 D HN 0.303 nan 8.370 nan 0.000 0.500 189 L N 1.160 122.445 121.223 0.102 0.000 2.406 189 L HA 0.496 4.836 4.340 -0.001 0.000 0.272 189 L C -1.849 175.030 176.870 0.014 0.000 0.980 189 L CA -0.998 53.878 54.840 0.061 0.000 0.831 189 L CB 1.775 43.934 42.059 0.166 0.000 1.253 189 L HN -0.175 nan 8.230 nan 0.000 0.406 190 L N 5.118 126.275 121.223 -0.111 0.000 2.362 190 L HA 0.666 5.006 4.340 -0.001 0.000 0.275 190 L C -1.507 175.252 176.870 -0.186 0.000 0.998 190 L CA -0.033 54.775 54.840 -0.053 0.000 0.820 190 L CB 1.578 43.633 42.059 -0.005 0.000 1.270 190 L HN 0.429 nan 8.230 nan 0.000 0.415 191 F N 6.078 126.089 119.950 0.102 0.000 2.436 191 F HA 0.702 5.228 4.527 -0.001 0.000 0.340 191 F C -0.299 175.539 175.800 0.063 0.000 1.113 191 F CA -0.534 57.521 58.000 0.093 0.000 1.022 191 F CB 1.770 40.861 39.000 0.153 0.000 1.128 191 F HN 0.377 nan 8.300 nan 0.000 0.466 192 L N 2.790 124.126 121.223 0.189 0.000 2.466 192 L HA 0.686 5.025 4.340 -0.001 0.000 0.258 192 L C -0.671 176.216 176.870 0.028 0.000 0.973 192 L CA -0.483 54.407 54.840 0.084 0.000 0.826 192 L CB 2.207 44.264 42.059 -0.004 0.000 1.372 192 L HN 0.550 nan 8.230 nan 0.000 0.409 193 S N 1.758 117.464 115.700 0.010 0.000 2.638 193 S HA 0.509 4.979 4.470 -0.001 0.000 0.298 193 S C 0.596 175.164 174.600 -0.053 0.000 1.111 193 S CA -0.326 57.852 58.200 -0.037 0.000 1.027 193 S CB 1.473 64.660 63.200 -0.021 0.000 1.064 193 S HN 0.768 nan 8.310 nan 0.000 0.525 194 E N 1.012 121.161 120.200 -0.085 0.000 2.038 194 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 194 E C 1.659 178.232 176.600 -0.046 0.000 1.000 194 E CA 1.880 58.229 56.400 -0.085 0.000 0.803 194 E CB -0.197 29.435 29.700 -0.114 0.000 0.750 194 E HN 0.808 nan 8.360 nan 0.000 0.448 195 E N 0.978 121.158 120.200 -0.032 0.000 2.070 195 E HA -0.216 4.134 4.350 -0.001 0.000 0.197 195 E C 1.903 178.505 176.600 0.003 0.000 1.004 195 E CA 1.377 57.771 56.400 -0.010 0.000 0.805 195 E CB -0.155 29.548 29.700 0.004 0.000 0.744 195 E HN 0.316 nan 8.360 nan 0.000 0.451 196 E N 0.403 120.614 120.200 0.018 0.000 2.058 196 E HA -0.214 4.136 4.350 -0.001 0.000 0.194 196 E C 2.146 178.765 176.600 0.030 0.000 0.997 196 E CA 1.064 57.483 56.400 0.033 0.000 0.801 196 E CB -0.245 29.497 29.700 0.070 0.000 0.746 196 E HN 0.310 nan 8.360 nan 0.000 0.450 197 A N 1.428 124.259 122.820 0.019 0.000 1.902 197 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 197 A C 2.003 179.642 177.584 0.092 0.000 1.181 197 A CA 1.502 53.562 52.037 0.038 0.000 0.623 197 A CB -0.410 18.557 19.000 -0.055 0.000 0.818 197 A HN 0.166 nan 8.150 nan 0.000 0.443 198 E N -0.619 119.599 120.200 0.029 0.000 2.031 198 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 198 E C 1.917 178.518 176.600 0.001 0.000 0.994 198 E CA 1.035 57.447 56.400 0.019 0.000 0.800 198 E CB -0.231 29.466 29.700 -0.005 0.000 0.752 198 E HN 0.574 nan 8.360 nan 0.000 0.447 199 L N 0.394 121.601 121.223 -0.027 0.000 2.353 199 L HA -0.152 4.188 4.340 -0.001 0.000 0.220 199 L C 1.427 178.197 176.870 -0.166 0.000 1.133 199 L CA 0.691 55.477 54.840 -0.090 0.000 0.798 199 L CB 0.222 42.222 42.059 -0.098 0.000 0.922 199 L HN 0.140 nan 8.230 nan 0.000 0.445 200 L N -2.964 118.201 121.223 -0.097 0.000 2.920 200 L HA 0.156 4.496 4.340 -0.001 0.000 0.257 200 L C 0.093 176.693 176.870 -0.451 0.000 1.150 200 L CA -0.024 54.680 54.840 -0.227 0.000 0.959 200 L CB 0.731 42.711 42.059 -0.132 0.000 1.321 200 L HN -0.026 nan 8.230 nan 0.000 0.555 201 F N -1.242 118.646 119.950 -0.103 0.000 2.901 201 F HA 0.439 4.966 4.527 -0.001 0.000 0.329 201 F C 1.543 177.307 175.800 -0.061 0.000 1.185 201 F CA 0.131 58.086 58.000 -0.076 0.000 1.114 201 F CB 0.713 39.672 39.000 -0.067 0.000 1.199 201 F HN -0.039 nan 8.300 nan 0.000 0.513 202 G N 1.166 109.987 108.800 0.036 0.000 3.548 202 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.224 202 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.224 202 G C 0.684 175.606 174.900 0.037 0.000 1.351 202 G CA 0.272 45.382 45.100 0.016 0.000 0.905 202 G HN 0.318 nan 8.290 nan 0.000 0.561 203 R N -0.632 119.909 120.500 0.068 0.000 2.750 203 R HA 0.538 4.878 4.340 -0.001 0.000 0.281 203 R C 1.342 177.665 176.300 0.038 0.000 0.972 203 R CA -0.293 55.834 56.100 0.044 0.000 0.912 203 R CB 2.070 32.392 30.300 0.037 0.000 1.187 203 R HN 0.131 nan 8.270 nan 0.000 0.464 204 V N 1.435 121.352 119.914 0.005 0.000 2.982 204 V HA -0.198 3.921 4.120 -0.001 0.000 0.265 204 V C 1.448 177.523 176.094 -0.031 0.000 1.122 204 V CA 1.681 63.962 62.300 -0.031 0.000 1.143 204 V CB -0.660 31.136 31.823 -0.046 0.000 0.726 204 V HN 0.749 nan 8.190 nan 0.000 0.507 205 E N 0.216 120.420 120.200 0.007 0.000 2.030 205 E HA -0.135 4.214 4.350 -0.001 0.000 0.189 205 E C 2.274 178.865 176.600 -0.015 0.000 0.974 205 E CA 0.871 57.281 56.400 0.016 0.000 0.807 205 E CB -0.188 29.537 29.700 0.043 0.000 0.771 205 E HN 0.487 nan 8.360 nan 0.000 0.451 206 E N 1.059 121.269 120.200 0.017 0.000 2.058 206 E HA -0.205 4.144 4.350 -0.001 0.000 0.194 206 E C 1.831 178.367 176.600 -0.107 0.000 0.997 206 E CA 1.590 58.011 56.400 0.034 0.000 0.801 206 E CB -0.501 29.288 29.700 0.147 0.000 0.746 206 E HN 0.238 nan 8.360 nan 0.000 0.450 207 A N 0.740 123.413 122.820 -0.244 0.000 1.940 207 A HA -0.243 4.077 4.320 -0.001 0.000 0.221 207 A C 2.440 179.656 177.584 -0.613 0.000 1.190 207 A CA 2.008 53.514 52.037 -0.885 0.000 0.647 207 A CB -1.016 17.640 19.000 -0.574 0.000 0.821 207 A HN 0.382 nan 8.150 nan 0.000 0.457 208 L N -1.613 119.405 121.223 -0.341 0.000 2.083 208 L HA -0.183 4.157 4.340 -0.001 0.000 0.209 208 L C 2.802 179.557 176.870 -0.192 0.000 1.083 208 L CA 1.825 56.498 54.840 -0.278 0.000 0.752 208 L CB -0.479 41.451 42.059 -0.215 0.000 0.899 208 L HN 0.478 nan 8.230 nan 0.000 0.433 209 R N 0.214 120.633 120.500 -0.135 0.000 2.066 209 R HA -0.141 4.198 4.340 -0.001 0.000 0.232 209 R C 2.356 178.609 176.300 -0.078 0.000 1.131 209 R CA 1.393 57.452 56.100 -0.068 0.000 0.955 209 R CB -0.204 30.083 30.300 -0.022 0.000 0.851 209 R HN 0.323 nan 8.270 nan 0.000 0.432 210 A N 1.081 123.827 122.820 -0.124 0.000 1.841 210 A HA -0.010 4.309 4.320 -0.001 0.000 0.214 210 A C 1.293 178.802 177.584 -0.124 0.000 1.195 210 A CA 0.856 52.846 52.037 -0.078 0.000 0.611 210 A CB -0.350 18.650 19.000 0.001 0.000 0.835 210 A HN 0.302 nan 8.150 nan 0.000 0.443 211 L N 2.164 123.227 121.223 -0.267 0.000 2.466 211 L HA 0.173 4.512 4.340 -0.001 0.000 0.248 211 L C 0.011 176.793 176.870 -0.147 0.000 1.240 211 L CA -0.251 54.475 54.840 -0.191 0.000 1.180 211 L CB -0.036 41.869 42.059 -0.258 0.000 1.413 211 L HN 0.363 nan 8.230 nan 0.000 0.406 212 S N 0.244 115.890 115.700 -0.091 0.000 3.363 212 S HA 0.600 5.069 4.470 -0.001 0.000 0.267 212 S C 0.370 174.951 174.600 -0.033 0.000 1.288 212 S CA -0.761 57.403 58.200 -0.061 0.000 0.948 212 S CB 0.877 64.057 63.200 -0.034 0.000 1.397 212 S HN 0.439 nan 8.310 nan 0.000 0.493 213 A N 3.655 126.453 122.820 -0.037 0.000 2.286 213 A HA 0.685 5.004 4.320 -0.001 0.000 0.286 213 A C -1.094 176.493 177.584 0.005 0.000 1.097 213 A CA -1.990 50.039 52.037 -0.014 0.000 0.821 213 A CB -0.122 18.869 19.000 -0.014 0.000 1.076 213 A HN 0.489 nan 8.150 nan 0.000 0.490 214 P HA -0.176 nan 4.420 nan 0.000 0.220 214 P C 0.201 177.529 177.300 0.047 0.000 1.155 214 P CA 1.830 64.946 63.100 0.027 0.000 0.880 214 P CB 0.291 32.004 31.700 0.022 0.000 0.790 215 E N -1.097 119.128 120.200 0.042 0.000 2.278 215 E HA 0.417 4.767 4.350 -0.001 0.000 0.272 215 E C -1.814 174.782 176.600 -0.007 0.000 0.890 215 E CA -0.651 55.782 56.400 0.055 0.000 0.770 215 E CB 1.526 31.275 29.700 0.082 0.000 1.212 215 E HN -0.353 nan 8.360 nan 0.000 0.415 216 V N 4.075 123.993 119.914 0.007 0.000 2.638 216 V HA 0.475 4.595 4.120 -0.001 0.000 0.306 216 V C -0.653 175.399 176.094 -0.071 0.000 1.052 216 V CA -0.856 61.386 62.300 -0.097 0.000 0.885 216 V CB 1.850 33.580 31.823 -0.156 0.000 0.999 216 V HN 0.510 nan 8.190 nan 0.000 0.424 217 V N 5.414 125.213 119.914 -0.192 0.000 2.448 217 V HA 0.517 4.636 4.120 -0.001 0.000 0.295 217 V C -0.592 175.498 176.094 -0.006 0.000 1.025 217 V CA -0.613 61.628 62.300 -0.098 0.000 0.859 217 V CB 1.771 33.406 31.823 -0.313 0.000 0.988 217 V HN 0.677 nan 8.190 nan 0.000 0.431 218 L N 5.942 127.194 121.223 0.048 0.000 2.280 218 L HA 0.541 4.880 4.340 -0.001 0.000 0.287 218 L C 0.062 176.895 176.870 -0.061 0.000 1.023 218 L CA -0.223 54.602 54.840 -0.024 0.000 0.819 218 L CB 1.002 43.011 42.059 -0.083 0.000 1.212 218 L HN 0.565 nan 8.230 nan 0.000 0.420 219 K N 5.587 125.926 120.400 -0.102 0.000 2.322 219 K HA 0.353 4.672 4.320 -0.001 0.000 0.283 219 K C -0.375 176.092 176.600 -0.223 0.000 1.042 219 K CA -0.029 56.115 56.287 -0.239 0.000 0.958 219 K CB 0.631 32.974 32.500 -0.261 0.000 0.984 219 K HN 0.535 nan 8.250 nan 0.000 0.473 220 R N 2.383 122.729 120.500 -0.258 0.000 2.886 220 R HA 0.176 4.515 4.340 -0.001 0.000 0.306 220 R C 0.487 176.672 176.300 -0.192 0.000 1.300 220 R CA -0.275 55.673 56.100 -0.252 0.000 1.441 220 R CB 0.859 30.933 30.300 -0.376 0.000 1.328 220 R HN 0.984 nan 8.270 nan 0.000 0.629 221 G N 1.549 110.252 108.800 -0.162 0.000 2.614 221 G HA2 -0.451 3.508 3.960 -0.001 0.000 0.303 221 G HA3 -0.451 3.508 3.960 -0.001 0.000 0.303 221 G C 0.788 175.628 174.900 -0.099 0.000 1.270 221 G CA 0.281 45.310 45.100 -0.118 0.000 0.988 221 G HN 0.497 nan 8.290 nan 0.000 0.551 222 A N -0.321 122.464 122.820 -0.059 0.000 2.238 222 A HA 0.318 4.637 4.320 -0.001 0.000 0.208 222 A C 1.609 179.171 177.584 -0.036 0.000 1.177 222 A CA 1.586 53.612 52.037 -0.018 0.000 0.804 222 A CB -0.193 18.810 19.000 0.005 0.000 0.823 222 A HN 0.535 nan 8.150 nan 0.000 0.482 223 K N 0.653 121.008 120.400 -0.076 0.000 2.911 223 K HA 0.351 4.671 4.320 -0.001 0.000 0.239 223 K C 1.144 177.688 176.600 -0.095 0.000 1.090 223 K CA 0.243 56.479 56.287 -0.086 0.000 1.225 223 K CB -0.421 32.008 32.500 -0.118 0.000 1.087 223 K HN 0.512 nan 8.250 nan 0.000 0.464 224 G N 1.416 110.179 108.800 -0.062 0.000 2.556 224 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.283 224 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.283 224 G C -0.327 174.533 174.900 -0.067 0.000 1.177 224 G CA -0.338 44.751 45.100 -0.019 0.000 0.978 224 G HN 0.692 nan 8.290 nan 0.000 0.554 225 A N -2.904 119.909 122.820 -0.012 0.000 2.522 225 A HA 0.578 4.898 4.320 -0.001 0.000 0.291 225 A C -1.935 175.790 177.584 0.235 0.000 1.039 225 A CA 0.346 52.356 52.037 -0.045 0.000 0.643 225 A CB 0.417 19.429 19.000 0.020 0.000 1.310 225 A HN 1.730 nan 8.150 nan 0.000 0.436 226 W N -0.113 121.281 121.300 0.157 0.000 2.819 226 W HA 0.742 5.401 4.660 -0.001 0.000 0.337 226 W C 0.102 176.808 176.519 0.312 0.000 1.077 226 W CA -0.849 56.630 57.345 0.223 0.000 1.226 226 W CB 1.963 31.645 29.460 0.371 0.000 1.419 226 W HN 1.296 nan 8.180 nan 0.000 0.502 227 A N 3.121 126.181 122.820 0.400 0.000 2.304 227 A HA 0.857 5.176 4.320 -0.001 0.000 0.323 227 A C -1.604 176.130 177.584 0.251 0.000 1.195 227 A CA -0.526 51.701 52.037 0.317 0.000 0.826 227 A CB 0.372 19.489 19.000 0.196 0.000 1.184 227 A HN 0.457 nan 8.150 nan 0.000 0.496 228 F N 2.866 122.837 119.950 0.036 0.000 2.359 228 F HA 0.484 5.011 4.527 -0.001 0.000 0.369 228 F C -0.218 175.590 175.800 0.013 0.000 1.084 228 F CA -0.601 57.410 58.000 0.018 0.000 1.096 228 F CB 1.793 40.801 39.000 0.014 0.000 1.335 228 F HN 0.387 nan 8.300 nan 0.000 0.457 229 V N -0.716 119.258 119.914 0.099 0.000 2.760 229 V HA 0.451 4.571 4.120 -0.001 0.000 0.309 229 V C -0.927 175.183 176.094 0.028 0.000 1.077 229 V CA -1.509 60.837 62.300 0.077 0.000 0.910 229 V CB 1.707 33.579 31.823 0.083 0.000 1.008 229 V HN 0.601 nan 8.190 nan 0.000 0.424 230 D N 2.636 123.055 120.400 0.031 0.000 2.737 230 D HA -0.124 4.516 4.640 -0.001 0.000 0.238 230 D C 1.415 177.711 176.300 -0.007 0.000 1.157 230 D CA 1.861 55.867 54.000 0.010 0.000 0.694 230 D CB -1.342 39.460 40.800 0.003 0.000 1.021 230 D HN 1.871 nan 8.370 nan 0.000 0.420 231 G N -0.393 108.412 108.800 0.007 0.000 2.243 231 G HA2 -0.435 3.524 3.960 -0.001 0.000 0.276 231 G HA3 -0.435 3.524 3.960 -0.001 0.000 0.276 231 G C 0.557 175.416 174.900 -0.069 0.000 0.997 231 G CA 1.070 46.165 45.100 -0.008 0.000 0.693 231 G HN 0.727 nan 8.290 nan 0.000 0.529 232 R N -0.239 120.205 120.500 -0.094 0.000 2.596 232 R HA 0.671 5.011 4.340 -0.001 0.000 0.267 232 R C 0.065 176.164 176.300 -0.335 0.000 1.026 232 R CA -0.894 55.104 56.100 -0.169 0.000 1.087 232 R CB 0.483 30.717 30.300 -0.110 0.000 1.132 232 R HN 0.218 nan 8.270 nan 0.000 0.531 233 R N 2.235 122.462 120.500 -0.455 0.000 2.639 233 R HA 0.234 4.573 4.340 -0.001 0.000 0.273 233 R C -1.017 174.975 176.300 -0.514 0.000 1.732 233 R CA -0.525 55.108 56.100 -0.779 0.000 1.586 233 R CB 1.524 31.160 30.300 -1.107 0.000 1.263 233 R HN 0.263 nan 8.270 nan 0.000 0.615 234 V N 1.558 121.310 119.914 -0.270 0.000 2.715 234 V HA 0.064 4.184 4.120 -0.001 0.000 0.299 234 V C 0.736 176.804 176.094 -0.043 0.000 1.054 234 V CA 0.028 62.247 62.300 -0.134 0.000 1.077 234 V CB 1.379 33.191 31.823 -0.018 0.000 0.972 234 V HN 0.549 nan 8.190 nan 0.000 0.484 235 E N 2.207 122.405 120.200 -0.004 0.000 2.204 235 E HA 0.586 4.935 4.350 -0.001 0.000 0.276 235 E C 0.074 176.802 176.600 0.213 0.000 0.974 235 E CA -0.448 56.087 56.400 0.226 0.000 0.815 235 E CB 1.623 31.434 29.700 0.185 0.000 1.119 235 E HN 0.824 nan 8.360 nan 0.000 0.393 236 G N 1.345 110.308 108.800 0.272 0.000 2.461 236 G HA2 0.205 4.165 3.960 -0.001 0.000 0.329 236 G HA3 0.205 4.165 3.960 -0.001 0.000 0.329 236 G C -0.588 174.378 174.900 0.111 0.000 1.170 236 G CA -0.623 44.599 45.100 0.203 0.000 0.935 236 G HN 0.447 nan 8.290 nan 0.000 0.492 237 S N -0.339 115.393 115.700 0.054 0.000 2.525 237 S HA 0.440 4.910 4.470 -0.001 0.000 0.285 237 S C 0.813 175.250 174.600 -0.271 0.000 1.283 237 S CA -0.072 58.036 58.200 -0.153 0.000 1.072 237 S CB -0.183 62.858 63.200 -0.265 0.000 0.867 237 S HN 1.059 nan 8.310 nan 0.000 0.492 238 A N 4.764 127.410 122.820 -0.290 0.000 2.351 238 A HA 0.647 4.967 4.320 -0.001 0.000 0.257 238 A C -0.628 176.683 177.584 -0.455 0.000 1.087 238 A CA -0.312 51.592 52.037 -0.222 0.000 0.798 238 A CB 0.094 19.023 19.000 -0.119 0.000 1.033 238 A HN 0.818 nan 8.150 nan 0.000 0.488 239 F N 0.681 120.637 119.950 0.011 0.000 2.477 239 F HA 0.497 5.023 4.527 -0.001 0.000 0.335 239 F C 0.830 176.630 175.800 -0.001 0.000 1.130 239 F CA -0.235 57.772 58.000 0.011 0.000 0.948 239 F CB 2.222 41.233 39.000 0.018 0.000 1.154 239 F HN 0.630 nan 8.300 nan 0.000 0.439 240 A N 3.991 126.934 122.820 0.204 0.000 3.019 240 A HA 0.433 4.753 4.320 -0.001 0.000 0.262 240 A C -0.399 177.253 177.584 0.113 0.000 1.509 240 A CA -0.105 52.001 52.037 0.115 0.000 1.159 240 A CB -0.523 18.519 19.000 0.070 0.000 1.042 240 A HN 0.481 nan 8.150 nan 0.000 0.641 241 V N 0.555 120.541 119.914 0.120 0.000 2.667 241 V HA 0.472 4.592 4.120 -0.001 0.000 0.308 241 V C -0.170 175.937 176.094 0.023 0.000 1.048 241 V CA -0.866 61.468 62.300 0.057 0.000 0.928 241 V CB 1.827 33.664 31.823 0.024 0.000 1.004 241 V HN 0.755 nan 8.190 nan 0.000 0.444 242 E N 5.306 125.506 120.200 -0.001 0.000 2.227 242 E HA 0.683 5.032 4.350 -0.001 0.000 0.282 242 E C -0.165 176.410 176.600 -0.042 0.000 1.015 242 E CA -0.545 55.844 56.400 -0.019 0.000 0.823 242 E CB 1.672 31.359 29.700 -0.021 0.000 1.081 242 E HN 0.912 nan 8.360 nan 0.000 0.396 243 A N 3.392 126.181 122.820 -0.052 0.000 2.477 243 A HA 0.185 4.505 4.320 -0.001 0.000 0.246 243 A C 0.688 178.204 177.584 -0.114 0.000 1.078 243 A CA -0.537 51.454 52.037 -0.077 0.000 0.770 243 A CB 0.803 19.760 19.000 -0.072 0.000 1.011 243 A HN 0.617 nan 8.150 nan 0.000 0.494 244 V N 1.352 121.184 119.914 -0.137 0.000 2.490 244 V HA 0.101 4.221 4.120 -0.001 0.000 0.238 244 V C 0.445 176.368 176.094 -0.284 0.000 1.056 244 V CA 1.847 64.032 62.300 -0.191 0.000 1.075 244 V CB -0.114 31.618 31.823 -0.151 0.000 0.746 244 V HN 0.956 nan 8.190 nan 0.000 0.479 245 D N -0.149 120.125 120.400 -0.211 0.000 2.381 245 D HA 0.229 4.869 4.640 -0.001 0.000 0.245 245 D C -2.227 174.007 176.300 -0.111 0.000 1.297 245 D CA -1.386 52.500 54.000 -0.190 0.000 0.931 245 D CB 1.607 42.302 40.800 -0.176 0.000 1.334 245 D HN 0.134 nan 8.370 nan 0.000 0.535 246 P HA -0.026 nan 4.420 nan 0.000 0.244 246 P C 0.257 177.537 177.300 -0.033 0.000 1.211 246 P CA 0.066 63.131 63.100 -0.057 0.000 0.760 246 P CB 0.134 31.803 31.700 -0.051 0.000 0.961 247 V N 0.179 120.080 119.914 -0.021 0.000 2.248 247 V HA 0.398 4.517 4.120 -0.001 0.000 0.309 247 V C 1.632 177.729 176.094 0.005 0.000 1.722 247 V CA 0.803 63.109 62.300 0.010 0.000 1.693 247 V CB -0.880 30.979 31.823 0.059 0.000 1.470 247 V HN 0.371 nan 8.190 nan 0.000 0.518 248 G N 0.741 109.537 108.800 -0.007 0.000 4.106 248 G HA2 0.041 4.001 3.960 -0.001 0.000 0.220 248 G HA3 0.041 4.001 3.960 -0.001 0.000 0.220 248 G C 0.861 175.755 174.900 -0.009 0.000 0.853 248 G CA 0.354 45.454 45.100 0.000 0.000 0.920 248 G HN 0.607 nan 8.290 nan 0.000 0.715 249 A N 0.850 123.660 122.820 -0.018 0.000 1.930 249 A HA 0.334 4.653 4.320 -0.001 0.000 0.217 249 A C 2.668 180.264 177.584 0.021 0.000 1.175 249 A CA 2.574 54.606 52.037 -0.007 0.000 0.627 249 A CB -0.922 18.062 19.000 -0.025 0.000 0.815 249 A HN 1.298 nan 8.150 nan 0.000 0.443 250 G N 0.233 109.031 108.800 -0.003 0.000 2.469 250 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.219 250 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.219 250 G C 1.110 176.015 174.900 0.008 0.000 1.150 250 G CA 1.367 46.468 45.100 0.002 0.000 0.763 250 G HN 0.517 nan 8.290 nan 0.000 0.561 251 D N 1.054 121.442 120.400 -0.020 0.000 2.103 251 D HA 0.027 4.667 4.640 -0.001 0.000 0.199 251 D C 2.855 179.087 176.300 -0.113 0.000 0.978 251 D CA 1.131 55.084 54.000 -0.079 0.000 0.829 251 D CB -0.761 40.012 40.800 -0.046 0.000 0.981 251 D HN 0.304 nan 8.370 nan 0.000 0.464 252 A N 0.949 123.738 122.820 -0.051 0.000 1.892 252 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 252 A C 2.123 179.678 177.584 -0.049 0.000 1.188 252 A CA 1.339 53.341 52.037 -0.058 0.000 0.631 252 A CB -1.145 17.841 19.000 -0.023 0.000 0.822 252 A HN 0.224 nan 8.150 nan 0.000 0.447 253 F N 0.912 120.783 119.950 -0.131 0.000 2.046 253 F HA -0.143 4.383 4.527 -0.001 0.000 0.297 253 F C 2.607 178.313 175.800 -0.156 0.000 1.123 253 F CA 1.501 59.446 58.000 -0.092 0.000 1.199 253 F CB -0.735 38.227 39.000 -0.063 0.000 0.972 253 F HN 0.269 nan 8.300 nan 0.000 0.474 254 A N 0.560 123.187 122.820 -0.322 0.000 1.873 254 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 254 A C 2.458 179.702 177.584 -0.567 0.000 1.193 254 A CA 2.518 54.014 52.037 -0.902 0.000 0.629 254 A CB -1.748 16.515 19.000 -1.229 0.000 0.826 254 A HN 0.608 nan 8.150 nan 0.000 0.447 255 A N -0.620 121.935 122.820 -0.442 0.000 1.873 255 A HA 0.011 4.330 4.320 -0.001 0.000 0.218 255 A C 2.537 179.930 177.584 -0.317 0.000 1.193 255 A CA 2.388 54.208 52.037 -0.363 0.000 0.629 255 A CB -1.660 17.170 19.000 -0.283 0.000 0.826 255 A HN 0.941 nan 8.150 nan 0.000 0.447 256 G N -1.974 106.663 108.800 -0.273 0.000 2.476 256 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.218 256 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.218 256 G C 1.575 176.335 174.900 -0.234 0.000 1.164 256 G CA 1.421 46.379 45.100 -0.236 0.000 0.768 256 G HN 0.556 nan 8.290 nan 0.000 0.560 257 Y N 0.956 121.026 120.300 -0.383 0.000 2.224 257 Y HA 0.036 4.585 4.550 -0.001 0.000 0.289 257 Y C 2.687 178.454 175.900 -0.222 0.000 1.146 257 Y CA 0.957 58.910 58.100 -0.245 0.000 1.182 257 Y CB -0.123 38.293 38.460 -0.073 0.000 0.983 257 Y HN 0.101 nan 8.280 nan 0.000 0.524 258 L N -1.151 119.947 121.223 -0.208 0.000 2.017 258 L HA -0.246 4.094 4.340 -0.001 0.000 0.208 258 L C 2.720 179.238 176.870 -0.587 0.000 1.073 258 L CA 1.228 55.814 54.840 -0.424 0.000 0.745 258 L CB -1.088 40.720 42.059 -0.419 0.000 0.894 258 L HN 0.278 nan 8.230 nan 0.000 0.432 259 A N 0.441 122.902 122.820 -0.598 0.000 1.892 259 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 259 A C 2.382 179.410 177.584 -0.927 0.000 1.188 259 A CA 1.949 53.416 52.037 -0.950 0.000 0.631 259 A CB -1.357 17.085 19.000 -0.930 0.000 0.822 259 A HN 0.468 nan 8.150 nan 0.000 0.447 260 G N -0.514 107.983 108.800 -0.505 0.000 2.491 260 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.218 260 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.218 260 G C 1.815 176.568 174.900 -0.244 0.000 1.180 260 G CA 1.893 46.846 45.100 -0.245 0.000 0.774 260 G HN 0.907 nan 8.290 nan 0.000 0.562 261 A N -0.014 122.567 122.820 -0.397 0.000 1.883 261 A HA 0.026 4.345 4.320 -0.001 0.000 0.217 261 A C 2.607 180.100 177.584 -0.153 0.000 1.186 261 A CA 2.027 53.903 52.037 -0.269 0.000 0.624 261 A CB -0.775 18.014 19.000 -0.351 0.000 0.822 261 A HN 0.337 nan 8.150 nan 0.000 0.444 262 V N -1.853 117.861 119.914 -0.334 0.000 2.469 262 V HA -0.233 3.886 4.120 -0.001 0.000 0.251 262 V C 1.932 178.008 176.094 -0.030 0.000 1.064 262 V CA 1.393 63.569 62.300 -0.207 0.000 1.066 262 V CB -0.855 30.702 31.823 -0.442 0.000 0.667 262 V HN 0.800 nan 8.190 nan 0.000 0.461 263 W N -0.008 121.259 121.300 -0.054 0.000 3.353 263 W HA 0.464 5.124 4.660 -0.001 0.000 0.304 263 W C 1.618 178.119 176.519 -0.029 0.000 1.273 263 W CA 0.165 57.487 57.345 -0.037 0.000 1.773 263 W CB -1.057 28.372 29.460 -0.051 0.000 1.095 263 W HN 0.428 nan 8.180 nan 0.000 0.676 264 G N 1.839 110.732 108.800 0.156 0.000 2.338 264 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.296 264 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.296 264 G C -0.124 174.818 174.900 0.070 0.000 1.040 264 G CA -0.052 45.103 45.100 0.093 0.000 1.004 264 G HN 0.182 nan 8.290 nan 0.000 0.509 265 L N -0.520 120.733 121.223 0.050 0.000 2.360 265 L HA 0.476 4.816 4.340 -0.001 0.000 0.271 265 L C -1.820 175.046 176.870 -0.007 0.000 1.057 265 L CA -2.503 52.357 54.840 0.033 0.000 0.803 265 L CB 1.262 43.354 42.059 0.055 0.000 1.207 265 L HN -0.109 nan 8.230 nan 0.000 0.445 266 P HA -0.014 nan 4.420 nan 0.000 0.265 266 P C 0.998 178.303 177.300 0.008 0.000 1.193 266 P CA -0.173 62.934 63.100 0.011 0.000 0.765 266 P CB 0.753 32.465 31.700 0.020 0.000 0.823 267 V N 2.748 122.678 119.914 0.026 0.000 2.357 267 V HA -0.315 3.805 4.120 -0.001 0.000 0.257 267 V C 1.903 178.073 176.094 0.128 0.000 1.082 267 V CA 2.049 64.398 62.300 0.083 0.000 1.078 267 V CB -1.060 30.838 31.823 0.125 0.000 0.663 267 V HN 0.600 nan 8.190 nan 0.000 0.455 268 E N 0.170 120.423 120.200 0.089 0.000 2.051 268 E HA -0.203 4.147 4.350 -0.001 0.000 0.192 268 E C 2.212 178.875 176.600 0.106 0.000 0.991 268 E CA 1.526 57.986 56.400 0.099 0.000 0.799 268 E CB -0.333 29.405 29.700 0.064 0.000 0.748 268 E HN 0.710 nan 8.360 nan 0.000 0.449 269 E N 0.205 120.446 120.200 0.068 0.000 2.150 269 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 269 E C 2.064 178.693 176.600 0.048 0.000 0.985 269 E CA 0.733 57.171 56.400 0.064 0.000 0.814 269 E CB -0.036 29.693 29.700 0.049 0.000 0.752 269 E HN 0.162 nan 8.360 nan 0.000 0.466 270 R N 0.494 120.978 120.500 -0.026 0.000 2.081 270 R HA -0.122 4.217 4.340 -0.001 0.000 0.235 270 R C 2.416 178.809 176.300 0.155 0.000 1.131 270 R CA 1.028 57.008 56.100 -0.200 0.000 0.960 270 R CB -0.476 29.322 30.300 -0.836 0.000 0.856 270 R HN 0.164 nan 8.270 nan 0.000 0.436 271 L N 0.399 121.847 121.223 0.376 0.000 1.961 271 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 271 L C 2.886 179.923 176.870 0.278 0.000 1.072 271 L CA 1.383 56.459 54.840 0.392 0.000 0.749 271 L CB -0.596 41.672 42.059 0.349 0.000 0.889 271 L HN 0.210 nan 8.230 nan 0.000 0.432 272 R N 0.140 120.779 120.500 0.232 0.000 2.159 272 R HA -0.288 4.051 4.340 -0.001 0.000 0.249 272 R C 2.331 178.750 176.300 0.199 0.000 1.136 272 R CA 2.314 58.548 56.100 0.224 0.000 0.951 272 R CB -0.545 29.852 30.300 0.162 0.000 0.876 272 R HN 0.195 nan 8.270 nan 0.000 0.440 273 L N 0.550 121.849 121.223 0.126 0.000 1.989 273 L HA -0.127 4.213 4.340 -0.001 0.000 0.211 273 L C 2.432 179.314 176.870 0.020 0.000 1.071 273 L CA 2.336 57.216 54.840 0.067 0.000 0.749 273 L CB -1.010 41.064 42.059 0.025 0.000 0.890 273 L HN 0.305 nan 8.230 nan 0.000 0.431 274 A N -0.147 122.644 122.820 -0.049 0.000 1.892 274 A HA -0.312 4.007 4.320 -0.001 0.000 0.218 274 A C 1.998 179.644 177.584 0.104 0.000 1.188 274 A CA 2.396 54.240 52.037 -0.321 0.000 0.631 274 A CB -1.235 17.071 19.000 -1.157 0.000 0.822 274 A HN 0.770 nan 8.150 nan 0.000 0.447 275 N N -0.412 118.526 118.700 0.395 0.000 2.166 275 N HA -0.118 4.622 4.740 -0.001 0.000 0.186 275 N C 1.580 177.160 175.510 0.116 0.000 1.019 275 N CA 1.088 54.420 53.050 0.470 0.000 0.856 275 N CB -0.270 38.608 38.487 0.652 0.000 0.993 275 N HN 0.343 nan 8.380 nan 0.000 0.426 276 L N 1.246 122.508 121.223 0.064 0.000 2.012 276 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 276 L C 2.005 178.834 176.870 -0.068 0.000 1.073 276 L CA 1.410 56.206 54.840 -0.073 0.000 0.748 276 L CB -0.448 41.610 42.059 -0.001 0.000 0.891 276 L HN 0.223 nan 8.230 nan 0.000 0.431 277 L N -1.004 120.209 121.223 -0.017 0.000 1.988 277 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 277 L C 2.600 179.462 176.870 -0.013 0.000 1.071 277 L CA 1.997 56.817 54.840 -0.033 0.000 0.744 277 L CB -2.321 39.707 42.059 -0.053 0.000 0.893 277 L HN 0.418 nan 8.230 nan 0.000 0.433 278 G N -0.233 108.612 108.800 0.076 0.000 2.513 278 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.219 278 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.219 278 G C 1.767 176.655 174.900 -0.019 0.000 1.160 278 G CA 1.450 46.598 45.100 0.079 0.000 0.767 278 G HN 0.508 nan 8.290 nan 0.000 0.571 279 A N 0.434 123.208 122.820 -0.077 0.000 1.865 279 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 279 A C 2.676 180.182 177.584 -0.130 0.000 1.191 279 A CA 2.619 54.557 52.037 -0.164 0.000 0.623 279 A CB -1.084 17.684 19.000 -0.387 0.000 0.826 279 A HN 0.482 nan 8.150 nan 0.000 0.444 280 S N -0.896 114.733 115.700 -0.118 0.000 2.383 280 S HA -0.129 4.341 4.470 -0.001 0.000 0.229 280 S C 1.842 176.393 174.600 -0.081 0.000 1.030 280 S CA 1.699 59.844 58.200 -0.092 0.000 1.002 280 S CB -0.450 62.704 63.200 -0.077 0.000 0.829 280 S HN 0.313 nan 8.310 nan 0.000 0.467 281 V N 1.652 121.521 119.914 -0.075 0.000 2.591 281 V HA 0.027 4.147 4.120 -0.001 0.000 0.249 281 V C 2.727 178.768 176.094 -0.089 0.000 1.053 281 V CA 1.400 63.653 62.300 -0.079 0.000 1.068 281 V CB -1.132 30.655 31.823 -0.060 0.000 0.689 281 V HN 0.571 nan 8.190 nan 0.000 0.462 282 A N 0.216 122.988 122.820 -0.079 0.000 1.969 282 A HA 0.060 4.380 4.320 -0.001 0.000 0.218 282 A C 2.189 179.715 177.584 -0.096 0.000 1.169 282 A CA 1.520 53.507 52.037 -0.083 0.000 0.635 282 A CB -0.465 18.493 19.000 -0.069 0.000 0.810 282 A HN 0.557 nan 8.150 nan 0.000 0.445 283 A N -1.184 121.582 122.820 -0.091 0.000 2.259 283 A HA 0.467 4.787 4.320 -0.001 0.000 0.208 283 A C 0.822 178.353 177.584 -0.089 0.000 1.201 283 A CA 0.552 52.537 52.037 -0.086 0.000 0.824 283 A CB -0.210 18.743 19.000 -0.078 0.000 0.838 283 A HN 0.274 nan 8.150 nan 0.000 0.485 284 S N -0.660 114.977 115.700 -0.105 0.000 2.569 284 S HA 0.486 4.955 4.470 -0.001 0.000 0.280 284 S C -0.309 174.194 174.600 -0.161 0.000 1.111 284 S CA -0.782 57.349 58.200 -0.114 0.000 0.887 284 S CB 1.293 64.431 63.200 -0.103 0.000 1.095 284 S HN 0.497 nan 8.310 nan 0.000 0.476 285 R N 1.073 121.476 120.500 -0.162 0.000 2.543 285 R HA 0.555 4.894 4.340 -0.001 0.000 0.277 285 R C 0.541 176.530 176.300 -0.518 0.000 1.074 285 R CA 0.327 56.295 56.100 -0.220 0.000 1.076 285 R CB 0.479 30.743 30.300 -0.060 0.000 0.993 285 R HN 0.980 nan 8.270 nan 0.000 0.459 286 G N 2.291 110.644 108.800 -0.745 0.000 2.617 286 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.686 286 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.686 286 G C -0.230 174.361 174.900 -0.516 0.000 1.214 286 G CA -0.564 43.819 45.100 -1.195 0.000 0.796 286 G HN 0.560 nan 8.290 nan 0.000 0.654 287 D N -0.098 120.089 120.400 -0.355 0.000 2.092 287 D HA -0.052 4.588 4.640 -0.001 0.000 0.193 287 D C 1.923 178.171 176.300 -0.088 0.000 0.994 287 D CA 2.300 56.242 54.000 -0.098 0.000 0.828 287 D CB -0.009 40.849 40.800 0.098 0.000 0.963 287 D HN 0.744 nan 8.370 nan 0.000 0.450 288 H N -1.836 117.171 119.070 -0.106 0.000 2.916 288 H HA 0.270 4.825 4.556 -0.001 0.000 0.262 288 H C -0.498 174.763 175.328 -0.111 0.000 1.178 288 H CA -0.305 55.680 56.048 -0.104 0.000 1.090 288 H CB 0.049 29.753 29.762 -0.097 0.000 1.657 288 H HN -0.041 nan 8.280 nan 0.000 0.601 289 E N 1.459 121.396 120.200 -0.439 0.000 2.360 289 E HA 0.295 4.645 4.350 -0.001 0.000 0.269 289 E C 0.961 177.467 176.600 -0.157 0.000 1.022 289 E CA 0.836 57.074 56.400 -0.271 0.000 0.887 289 E CB 1.288 30.809 29.700 -0.298 0.000 0.990 289 E HN 0.692 nan 8.360 nan 0.000 0.426 290 G N 1.609 110.360 108.800 -0.081 0.000 2.231 290 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.206 290 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.206 290 G C 0.427 175.284 174.900 -0.071 0.000 0.996 290 G CA -0.140 44.922 45.100 -0.064 0.000 0.645 290 G HN 0.773 nan 8.290 nan 0.000 0.498 291 A N 2.517 125.280 122.820 -0.095 0.000 2.491 291 A HA 0.605 4.924 4.320 -0.001 0.000 0.261 291 A C -0.971 176.460 177.584 -0.256 0.000 1.101 291 A CA -0.163 51.784 52.037 -0.149 0.000 0.772 291 A CB 0.140 19.051 19.000 -0.148 0.000 1.043 291 A HN 0.313 nan 8.150 nan 0.000 0.501 292 P HA 0.253 nan 4.420 nan 0.000 0.274 292 P C -1.103 176.025 177.300 -0.286 0.000 1.246 292 P CA 0.098 63.121 63.100 -0.129 0.000 0.795 292 P CB 0.460 32.145 31.700 -0.026 0.000 1.006 293 Y N -0.689 119.623 120.300 0.020 0.000 2.457 293 Y HA 0.371 4.921 4.550 -0.001 0.000 0.333 293 Y C 2.299 178.223 175.900 0.041 0.000 1.119 293 Y CA -0.602 57.516 58.100 0.029 0.000 1.143 293 Y CB 0.792 39.264 38.460 0.021 0.000 1.230 293 Y HN 0.345 nan 8.280 nan 0.000 0.469 294 R N 1.391 122.007 120.500 0.193 0.000 2.136 294 R HA -0.281 4.058 4.340 -0.001 0.000 0.242 294 R C 1.729 178.086 176.300 0.096 0.000 1.131 294 R CA 2.594 58.779 56.100 0.142 0.000 0.937 294 R CB -0.232 30.146 30.300 0.131 0.000 0.863 294 R HN 1.009 nan 8.270 nan 0.000 0.435 295 E N -0.385 119.872 120.200 0.095 0.000 2.333 295 E HA -0.212 4.138 4.350 -0.001 0.000 0.200 295 E C 0.850 177.482 176.600 0.052 0.000 1.010 295 E CA 1.455 57.886 56.400 0.052 0.000 0.841 295 E CB -0.137 29.585 29.700 0.036 0.000 0.757 295 E HN 0.436 nan 8.360 nan 0.000 0.508 296 D N 1.221 121.673 120.400 0.086 0.000 2.137 296 D HA -0.025 4.615 4.640 -0.001 0.000 0.202 296 D C 2.197 178.526 176.300 0.048 0.000 0.970 296 D CA 0.701 54.745 54.000 0.073 0.000 0.837 296 D CB -0.156 40.708 40.800 0.107 0.000 0.981 296 D HN 0.245 nan 8.370 nan 0.000 0.475 297 L N 1.173 122.427 121.223 0.051 0.000 2.012 297 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 297 L C 2.324 179.201 176.870 0.012 0.000 1.073 297 L CA 1.251 56.113 54.840 0.037 0.000 0.748 297 L CB -0.568 41.518 42.059 0.046 0.000 0.891 297 L HN 0.023 nan 8.230 nan 0.000 0.431 298 E N 0.176 120.377 120.200 0.000 0.000 2.049 298 E HA -0.230 4.120 4.350 -0.001 0.000 0.198 298 E C 2.169 178.766 176.600 -0.006 0.000 1.007 298 E CA 1.930 58.319 56.400 -0.017 0.000 0.809 298 E CB -0.410 29.278 29.700 -0.019 0.000 0.749 298 E HN 0.455 nan 8.360 nan 0.000 0.450 299 V N 0.989 120.906 119.914 0.005 0.000 2.358 299 V HA -0.189 3.930 4.120 -0.001 0.000 0.246 299 V C 2.299 178.399 176.094 0.009 0.000 1.047 299 V CA 1.243 63.547 62.300 0.006 0.000 1.035 299 V CB -0.667 31.162 31.823 0.010 0.000 0.658 299 V HN 0.151 nan 8.190 nan 0.000 0.452 300 L N -0.782 120.450 121.223 0.015 0.000 2.549 300 L HA 0.071 4.411 4.340 -0.001 0.000 0.229 300 L C 1.783 178.663 176.870 0.017 0.000 1.158 300 L CA 1.424 56.276 54.840 0.019 0.000 0.842 300 L CB -0.542 41.532 42.059 0.025 0.000 0.952 300 L HN 0.276 nan 8.230 nan 0.000 0.452 301 L N -0.149 121.079 121.223 0.008 0.000 2.276 301 L HA 0.426 4.765 4.340 -0.001 0.000 0.194 301 L C 1.134 178.004 176.870 -0.000 0.000 1.099 301 L CA 1.624 56.465 54.840 0.002 0.000 0.800 301 L CB -0.386 41.665 42.059 -0.014 0.000 0.994 301 L HN 0.168 nan 8.230 nan 0.000 0.475 302 K N 0.000 120.397 120.400 -0.005 0.000 2.780 302 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 302 K CA 0.000 nan 56.287 nan 0.000 0.838 302 K CB 0.000 nan 32.500 nan 0.000 1.064 302 K HN 0.000 nan 8.250 nan 0.000 0.543