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 1w8y_1_D DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPEG 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 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.453 176.300 0.255 0.000 0.893 1 R CA 0.000 56.183 56.100 0.139 0.000 0.921 1 R CB 0.000 30.348 30.300 0.080 0.000 0.687 2 L N 1.847 123.212 121.223 0.236 0.000 2.012 2 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 2 L C 2.429 179.356 176.870 0.095 0.000 1.073 2 L CA 2.523 57.477 54.840 0.191 0.000 0.748 2 L CB -0.290 41.850 42.059 0.136 0.000 0.891 2 L HN 0.391 nan 8.230 nan 0.000 0.431 3 T N -4.155 110.444 114.554 0.076 0.000 2.821 3 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 3 T C 1.615 176.351 174.700 0.059 0.000 1.046 3 T CA 1.092 63.221 62.100 0.049 0.000 1.139 3 T CB -0.387 68.502 68.868 0.034 0.000 0.871 3 T HN 0.363 nan 8.240 nan 0.000 0.454 4 E N 0.390 120.634 120.200 0.074 0.000 2.265 4 E HA -0.017 4.333 4.350 -0.000 0.000 0.196 4 E C 1.930 178.576 176.600 0.076 0.000 0.996 4 E CA 0.576 57.017 56.400 0.069 0.000 0.832 4 E CB -0.166 29.576 29.700 0.070 0.000 0.756 4 E HN 0.393 nan 8.360 nan 0.000 0.491 5 L N 0.933 122.209 121.223 0.088 0.000 2.131 5 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 5 L C 2.108 179.019 176.870 0.067 0.000 1.087 5 L CA 1.403 56.273 54.840 0.049 0.000 0.767 5 L CB -0.021 42.000 42.059 -0.063 0.000 0.917 5 L HN -0.100 nan 8.230 nan 0.000 0.441 6 R N -0.236 120.327 120.500 0.104 0.000 2.075 6 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 6 R C 2.034 178.438 176.300 0.174 0.000 1.126 6 R CA 1.680 57.899 56.100 0.198 0.000 0.963 6 R CB -0.534 29.803 30.300 0.061 0.000 0.858 6 R HN 0.526 nan 8.270 nan 0.000 0.435 7 E N 0.784 121.039 120.200 0.091 0.000 2.110 7 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 7 E C 1.459 178.096 176.600 0.061 0.000 0.988 7 E CA 1.122 57.562 56.400 0.068 0.000 0.804 7 E CB -0.035 29.692 29.700 0.045 0.000 0.745 7 E HN 0.296 nan 8.360 nan 0.000 0.458 8 D N 0.667 121.096 120.400 0.049 0.000 2.144 8 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 8 D C 1.992 178.288 176.300 -0.007 0.000 0.978 8 D CA 0.785 54.796 54.000 0.018 0.000 0.833 8 D CB -0.067 40.739 40.800 0.011 0.000 0.961 8 D HN 0.189 nan 8.370 nan 0.000 0.470 9 I N 1.013 121.575 120.570 -0.014 0.000 2.286 9 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 9 I C 1.837 177.936 176.117 -0.029 0.000 1.104 9 I CA 0.857 62.081 61.300 -0.126 0.000 1.397 9 I CB -0.158 37.586 38.000 -0.427 0.000 1.072 9 I HN -0.112 nan 8.210 nan 0.000 0.417 10 D N 1.409 121.888 120.400 0.131 0.000 2.123 10 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 10 D C 2.261 178.595 176.300 0.056 0.000 0.992 10 D CA 1.729 55.814 54.000 0.140 0.000 0.833 10 D CB -0.028 40.854 40.800 0.138 0.000 0.954 10 D HN 0.349 nan 8.370 nan 0.000 0.455 11 A N 0.960 123.801 122.820 0.035 0.000 1.902 11 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 11 A C 2.409 179.992 177.584 -0.003 0.000 1.181 11 A CA 0.898 52.944 52.037 0.015 0.000 0.623 11 A CB -0.728 18.278 19.000 0.010 0.000 0.818 11 A HN 0.189 nan 8.150 nan 0.000 0.443 12 I N -0.248 120.309 120.570 -0.022 0.000 2.163 12 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 12 I C 1.788 177.882 176.117 -0.038 0.000 1.085 12 I CA 1.158 62.433 61.300 -0.043 0.000 1.347 12 I CB -0.331 37.622 38.000 -0.078 0.000 1.044 12 I HN 0.240 nan 8.210 nan 0.000 0.408 13 L N 0.646 121.850 121.223 -0.031 0.000 2.675 13 L HA -0.077 4.263 4.340 -0.000 0.000 0.238 13 L C 1.681 178.552 176.870 0.003 0.000 1.155 13 L CA 0.314 55.145 54.840 -0.016 0.000 0.881 13 L CB -0.392 41.671 42.059 0.006 0.000 1.008 13 L HN 0.236 nan 8.230 nan 0.000 0.443 14 E N -0.673 119.527 120.200 0.002 0.000 2.474 14 E HA 0.010 4.360 4.350 -0.000 0.000 0.195 14 E C 0.300 176.900 176.600 -0.000 0.000 1.039 14 E CA 0.013 56.417 56.400 0.006 0.000 0.881 14 E CB 0.073 29.778 29.700 0.009 0.000 0.970 14 E HN 0.332 nan 8.360 nan 0.000 0.486 15 D N 1.584 121.979 120.400 -0.009 0.000 2.533 15 D HA -0.061 4.579 4.640 -0.000 0.000 0.236 15 D C -1.656 174.641 176.300 -0.006 0.000 1.137 15 D CA -1.231 52.762 54.000 -0.012 0.000 0.867 15 D CB 1.441 42.227 40.800 -0.024 0.000 1.170 15 D HN -0.107 nan 8.370 nan 0.000 0.474 16 P HA -0.109 nan 4.420 nan 0.000 0.223 16 P C 0.781 178.085 177.300 0.007 0.000 1.144 16 P CA 0.928 64.031 63.100 0.004 0.000 0.783 16 P CB 0.183 31.884 31.700 0.002 0.000 0.771 17 A N -0.658 122.161 122.820 -0.001 0.000 2.015 17 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 17 A C 1.780 179.373 177.584 0.014 0.000 1.163 17 A CA 1.096 53.133 52.037 -0.001 0.000 0.646 17 A CB -1.287 17.695 19.000 -0.029 0.000 0.806 17 A HN 0.188 nan 8.150 nan 0.000 0.448 18 L N 0.074 121.301 121.223 0.007 0.000 2.653 18 L HA 0.127 4.467 4.340 -0.000 0.000 0.232 18 L C 0.604 177.499 176.870 0.041 0.000 1.169 18 L CA -0.294 54.560 54.840 0.024 0.000 0.951 18 L CB -0.325 41.736 42.059 0.003 0.000 1.181 18 L HN 0.429 nan 8.230 nan 0.000 0.460 19 E N 0.831 121.055 120.200 0.039 0.000 2.415 19 E HA 0.144 4.494 4.350 -0.000 0.000 0.260 19 E C 1.246 177.869 176.600 0.038 0.000 1.016 19 E CA 0.770 57.190 56.400 0.033 0.000 0.924 19 E CB 0.359 30.074 29.700 0.025 0.000 0.961 19 E HN 0.353 nan 8.360 nan 0.000 0.459 20 G N 2.643 111.460 108.800 0.030 0.000 2.155 20 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 20 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 20 G C 0.097 175.017 174.900 0.033 0.000 0.983 20 G CA 0.181 45.297 45.100 0.025 0.000 0.676 20 G HN 0.809 nan 8.290 nan 0.000 0.528 21 A N -0.648 122.203 122.820 0.052 0.000 2.325 21 A HA 0.843 5.163 4.320 -0.000 0.000 0.333 21 A C 0.039 177.657 177.584 0.057 0.000 1.155 21 A CA -0.236 51.846 52.037 0.074 0.000 0.814 21 A CB 1.959 21.043 19.000 0.139 0.000 1.206 21 A HN 1.078 nan 8.150 nan 0.000 0.482 22 V N 1.665 121.613 119.914 0.056 0.000 2.427 22 V HA 0.568 4.688 4.120 -0.000 0.000 0.286 22 V C 0.123 176.248 176.094 0.051 0.000 1.034 22 V CA -0.221 62.106 62.300 0.046 0.000 0.893 22 V CB 1.482 33.327 31.823 0.036 0.000 0.982 22 V HN 0.855 nan 8.190 nan 0.000 0.452 23 S N 2.579 118.307 115.700 0.047 0.000 2.647 23 S HA 0.616 5.086 4.470 -0.000 0.000 0.300 23 S C 0.203 174.835 174.600 0.053 0.000 1.129 23 S CA -0.559 57.668 58.200 0.044 0.000 1.029 23 S CB 1.765 64.982 63.200 0.029 0.000 1.007 23 S HN 1.056 nan 8.310 nan 0.000 0.484 24 G N 1.804 110.635 108.800 0.052 0.000 2.350 24 G HA2 0.535 4.495 3.960 -0.000 0.000 0.306 24 G HA3 0.535 4.495 3.960 -0.000 0.000 0.306 24 G C -0.758 174.185 174.900 0.071 0.000 1.094 24 G CA -0.360 44.778 45.100 0.064 0.000 0.953 24 G HN 0.583 nan 8.290 nan 0.000 0.420 25 V N 3.088 123.064 119.914 0.103 0.000 2.444 25 V HA 0.531 4.651 4.120 -0.000 0.000 0.294 25 V C -0.460 175.743 176.094 0.182 0.000 1.022 25 V CA -0.695 61.666 62.300 0.101 0.000 0.850 25 V CB 1.730 33.566 31.823 0.021 0.000 0.992 25 V HN 0.519 nan 8.190 nan 0.000 0.426 26 V N 5.346 125.353 119.914 0.154 0.000 2.612 26 V HA 0.508 4.628 4.120 -0.000 0.000 0.301 26 V C -0.570 175.626 176.094 0.170 0.000 1.059 26 V CA -0.549 61.852 62.300 0.169 0.000 0.886 26 V CB 2.150 34.043 31.823 0.116 0.000 1.007 26 V HN 0.584 nan 8.190 nan 0.000 0.426 27 V N 5.606 125.627 119.914 0.178 0.000 2.448 27 V HA 0.699 4.819 4.120 -0.000 0.000 0.295 27 V C -0.269 175.897 176.094 0.119 0.000 1.025 27 V CA -0.481 61.913 62.300 0.155 0.000 0.859 27 V CB 1.977 33.852 31.823 0.087 0.000 0.988 27 V HN 0.621 nan 8.190 nan 0.000 0.431 28 V N 2.567 122.556 119.914 0.126 0.000 3.001 28 V HA 0.518 4.638 4.120 -0.000 0.000 0.314 28 V C -0.802 175.364 176.094 0.119 0.000 1.099 28 V CA -0.737 61.626 62.300 0.105 0.000 0.989 28 V CB 2.503 34.384 31.823 0.097 0.000 1.040 28 V HN 0.867 nan 8.190 nan 0.000 0.434 29 D N 1.219 121.681 120.400 0.104 0.000 2.443 29 D HA 0.214 4.853 4.640 -0.000 0.000 0.221 29 D C 1.196 177.556 176.300 0.100 0.000 1.097 29 D CA -0.094 53.974 54.000 0.114 0.000 0.865 29 D CB 1.704 42.569 40.800 0.108 0.000 1.034 29 D HN 0.624 nan 8.370 nan 0.000 0.511 30 T N 2.276 116.900 114.554 0.116 0.000 2.714 30 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 30 T C 1.687 176.420 174.700 0.055 0.000 1.036 30 T CA 1.856 64.011 62.100 0.091 0.000 1.148 30 T CB 0.045 68.968 68.868 0.092 0.000 0.856 30 T HN 0.553 nan 8.240 nan 0.000 0.462 31 A N 1.886 124.740 122.820 0.056 0.000 1.826 31 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 31 A C 2.647 180.252 177.584 0.034 0.000 1.212 31 A CA 2.075 54.135 52.037 0.038 0.000 0.605 31 A CB -1.215 17.809 19.000 0.040 0.000 0.861 31 A HN 0.598 nan 8.150 nan 0.000 0.447 32 T N -3.606 110.973 114.554 0.043 0.000 3.113 32 T HA 0.371 4.721 4.350 -0.000 0.000 0.256 32 T C 1.367 176.089 174.700 0.037 0.000 1.131 32 T CA 1.109 63.231 62.100 0.037 0.000 1.074 32 T CB -0.172 68.720 68.868 0.041 0.000 0.944 32 T HN 1.847 nan 8.240 nan 0.000 0.516 33 G N 1.524 110.352 108.800 0.045 0.000 2.179 33 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.257 33 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.257 33 G C -0.227 174.700 174.900 0.046 0.000 1.010 33 G CA 0.305 45.432 45.100 0.045 0.000 0.736 33 G HN 0.821 nan 8.290 nan 0.000 0.513 34 E N 0.527 120.757 120.200 0.051 0.000 2.229 34 E HA 0.351 4.701 4.350 -0.000 0.000 0.283 34 E C 0.436 177.067 176.600 0.051 0.000 1.030 34 E CA -0.563 55.865 56.400 0.047 0.000 0.836 34 E CB 0.377 30.108 29.700 0.050 0.000 1.068 34 E HN 0.459 nan 8.360 nan 0.000 0.401 35 E N 5.280 125.505 120.200 0.041 0.000 2.299 35 E HA -0.005 4.345 4.350 -0.000 0.000 0.272 35 E C 0.309 176.927 176.600 0.031 0.000 1.043 35 E CA -0.111 56.314 56.400 0.042 0.000 0.895 35 E CB 0.608 30.326 29.700 0.030 0.000 1.011 35 E HN 0.668 nan 8.360 nan 0.000 0.432 36 L N 4.250 125.496 121.223 0.038 0.000 2.388 36 L HA 0.196 4.536 4.340 -0.000 0.000 0.209 36 L C 0.235 177.132 176.870 0.045 0.000 1.061 36 L CA 0.069 54.916 54.840 0.012 0.000 0.834 36 L CB 0.182 42.209 42.059 -0.053 0.000 1.029 36 L HN 0.575 nan 8.230 nan 0.000 0.473 37 Y N -0.417 119.858 120.300 -0.042 0.000 2.534 37 Y HA 0.544 5.094 4.550 -0.000 0.000 0.345 37 Y C -0.874 175.023 175.900 -0.005 0.000 1.031 37 Y CA -1.100 56.981 58.100 -0.032 0.000 1.022 37 Y CB 2.190 40.621 38.460 -0.049 0.000 1.292 37 Y HN -0.217 nan 8.280 nan 0.000 0.459 38 S N 5.120 120.772 115.700 -0.080 0.000 2.550 38 S HA 0.459 4.929 4.470 -0.000 0.000 0.274 38 S C -1.990 172.604 174.600 -0.010 0.000 1.110 38 S CA -0.680 57.554 58.200 0.057 0.000 1.013 38 S CB 0.427 63.628 63.200 0.002 0.000 1.152 38 S HN 0.820 nan 8.310 nan 0.000 0.450 39 R N 3.446 124.040 120.500 0.158 0.000 2.483 39 R HA 0.385 4.725 4.340 -0.000 0.000 0.303 39 R C -0.847 175.513 176.300 0.100 0.000 0.987 39 R CA -0.288 55.883 56.100 0.119 0.000 0.881 39 R CB 0.561 31.001 30.300 0.233 0.000 1.177 39 R HN 0.712 nan 8.270 nan 0.000 0.451 40 D N 3.007 123.442 120.400 0.058 0.000 2.837 40 D HA -0.165 4.475 4.640 -0.000 0.000 0.230 40 D C 0.787 177.119 176.300 0.053 0.000 1.152 40 D CA 1.306 55.335 54.000 0.049 0.000 0.736 40 D CB -0.797 40.033 40.800 0.050 0.000 1.084 40 D HN 0.934 nan 8.370 nan 0.000 0.429 41 G N 0.193 109.027 108.800 0.057 0.000 2.509 41 G HA2 0.024 3.984 3.960 -0.000 0.000 0.218 41 G HA3 0.024 3.984 3.960 -0.000 0.000 0.218 41 G C 1.462 176.390 174.900 0.047 0.000 1.124 41 G CA 0.897 46.033 45.100 0.060 0.000 0.776 41 G HN 0.459 nan 8.290 nan 0.000 0.547 42 G N -0.547 108.275 108.800 0.037 0.000 3.126 42 G HA2 0.275 4.235 3.960 -0.000 0.000 0.224 42 G HA3 0.275 4.235 3.960 -0.000 0.000 0.224 42 G C 0.243 175.158 174.900 0.024 0.000 1.142 42 G CA -0.223 44.894 45.100 0.029 0.000 0.759 42 G HN 0.369 nan 8.290 nan 0.000 0.550 43 E N 1.238 121.454 120.200 0.027 0.000 2.290 43 E HA 0.208 4.558 4.350 -0.000 0.000 0.277 43 E C 0.253 176.864 176.600 0.019 0.000 1.035 43 E CA -0.143 56.270 56.400 0.022 0.000 0.873 43 E CB 0.326 30.042 29.700 0.027 0.000 1.029 43 E HN 0.250 nan 8.360 nan 0.000 0.419 44 Q N 4.006 123.812 119.800 0.010 0.000 2.296 44 Q HA 0.281 4.621 4.340 -0.000 0.000 0.263 44 Q C -0.543 175.459 176.000 0.004 0.000 1.026 44 Q CA 0.099 55.903 55.803 0.002 0.000 0.912 44 Q CB 0.557 29.292 28.738 -0.006 0.000 1.198 44 Q HN 0.477 nan 8.270 nan 0.000 0.407 45 L N 1.959 123.185 121.223 0.006 0.000 2.333 45 L HA 0.487 4.827 4.340 -0.000 0.000 0.263 45 L C -0.312 176.559 176.870 0.000 0.000 1.014 45 L CA -1.182 53.662 54.840 0.008 0.000 0.820 45 L CB 1.476 43.548 42.059 0.021 0.000 1.352 45 L HN 0.386 nan 8.230 nan 0.000 0.421 46 L N 3.234 124.455 121.223 -0.003 0.000 2.499 46 L HA 0.098 4.438 4.340 -0.000 0.000 0.273 46 L C -1.396 175.473 176.870 -0.001 0.000 1.195 46 L CA -0.688 54.145 54.840 -0.012 0.000 0.882 46 L CB 0.525 42.568 42.059 -0.026 0.000 1.133 46 L HN 0.457 nan 8.230 nan 0.000 0.483 47 P HA 0.041 nan 4.420 nan 0.000 0.245 47 P C 0.608 177.915 177.300 0.012 0.000 1.199 47 P CA 0.978 64.093 63.100 0.025 0.000 0.807 47 P CB 0.927 32.662 31.700 0.058 0.000 1.002 48 A N 0.494 123.308 122.820 -0.009 0.000 5.691 48 A HA -0.225 4.095 4.320 -0.000 0.000 0.271 48 A C 1.619 179.199 177.584 -0.007 0.000 2.133 48 A CA 1.169 53.187 52.037 -0.032 0.000 0.713 48 A CB -2.449 16.525 19.000 -0.042 0.000 1.115 48 A HN 0.131 nan 8.150 nan 0.000 0.356 49 S N 0.713 116.401 115.700 -0.021 0.000 2.595 49 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 49 S C 1.346 175.943 174.600 -0.006 0.000 0.974 49 S CA 1.169 59.365 58.200 -0.007 0.000 0.942 49 S CB -0.658 62.524 63.200 -0.030 0.000 0.766 49 S HN 0.616 nan 8.310 nan 0.000 0.536 50 N N 1.363 120.066 118.700 0.005 0.000 2.520 50 N HA 0.028 4.768 4.740 -0.000 0.000 0.185 50 N C 1.377 176.962 175.510 0.125 0.000 1.068 50 N CA 0.342 53.398 53.050 0.012 0.000 0.911 50 N CB -0.264 38.232 38.487 0.015 0.000 0.961 50 N HN 0.319 nan 8.380 nan 0.000 0.446 51 M N 0.748 120.446 119.600 0.163 0.000 2.296 51 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 51 M C 1.295 177.774 176.300 0.298 0.000 1.064 51 M CA 1.469 56.939 55.300 0.285 0.000 1.109 51 M CB 0.015 32.714 32.600 0.165 0.000 1.396 51 M HN -0.092 nan 8.290 nan 0.000 0.430 52 K N -0.163 120.328 120.400 0.151 0.000 2.281 52 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 52 K C 1.824 178.459 176.600 0.058 0.000 1.046 52 K CA 1.255 57.607 56.287 0.109 0.000 0.938 52 K CB -0.479 31.954 32.500 -0.110 0.000 0.737 52 K HN 0.427 nan 8.250 nan 0.000 0.458 53 L N -0.364 120.859 121.223 -0.001 0.000 2.083 53 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 53 L C 2.044 178.949 176.870 0.059 0.000 1.083 53 L CA 1.301 56.115 54.840 -0.043 0.000 0.752 53 L CB -0.348 41.599 42.059 -0.187 0.000 0.899 53 L HN 0.081 nan 8.230 nan 0.000 0.433 54 F N -0.680 119.377 119.950 0.178 0.000 2.234 54 F HA -0.132 4.395 4.527 -0.000 0.000 0.296 54 F C 2.607 178.500 175.800 0.155 0.000 1.089 54 F CA 1.246 59.340 58.000 0.156 0.000 1.343 54 F CB -0.902 38.163 39.000 0.107 0.000 1.040 54 F HN -0.058 nan 8.300 nan 0.000 0.498 55 T N -0.193 114.568 114.554 0.346 0.000 2.777 55 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 55 T C 2.284 177.146 174.700 0.269 0.000 1.040 55 T CA 1.292 63.569 62.100 0.295 0.000 1.141 55 T CB -0.542 68.535 68.868 0.348 0.000 0.868 55 T HN 0.281 nan 8.240 nan 0.000 0.444 56 A N 1.228 124.235 122.820 0.312 0.000 1.929 56 A HA 0.322 4.642 4.320 -0.000 0.000 0.216 56 A C 2.597 180.245 177.584 0.108 0.000 1.176 56 A CA 1.520 53.733 52.037 0.294 0.000 0.628 56 A CB -0.924 18.244 19.000 0.279 0.000 0.816 56 A HN 0.481 nan 8.150 nan 0.000 0.444 57 A N 0.060 122.952 122.820 0.121 0.000 1.873 57 A HA 0.185 4.505 4.320 -0.000 0.000 0.215 57 A C 2.497 179.955 177.584 -0.211 0.000 1.186 57 A CA 1.978 53.869 52.037 -0.244 0.000 0.616 57 A CB -1.018 17.903 19.000 -0.132 0.000 0.823 57 A HN 1.008 nan 8.150 nan 0.000 0.442 58 A N -0.221 122.596 122.820 -0.006 0.000 1.933 58 A HA 0.186 4.506 4.320 -0.000 0.000 0.218 58 A C 2.445 180.010 177.584 -0.033 0.000 1.175 58 A CA 1.965 54.012 52.037 0.017 0.000 0.628 58 A CB -0.894 18.158 19.000 0.086 0.000 0.814 58 A HN 1.050 nan 8.150 nan 0.000 0.444 59 A N -0.555 122.249 122.820 -0.026 0.000 2.015 59 A HA 0.069 4.388 4.320 -0.000 0.000 0.219 59 A C 2.112 179.622 177.584 -0.123 0.000 1.163 59 A CA 1.271 53.288 52.037 -0.034 0.000 0.646 59 A CB -0.441 18.584 19.000 0.042 0.000 0.806 59 A HN 0.468 nan 8.150 nan 0.000 0.448 60 L N -0.905 120.146 121.223 -0.287 0.000 2.131 60 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 60 L C 2.627 179.298 176.870 -0.332 0.000 1.087 60 L CA 0.890 55.424 54.840 -0.510 0.000 0.767 60 L CB -0.372 40.890 42.059 -1.329 0.000 0.917 60 L HN 0.334 nan 8.230 nan 0.000 0.441 61 E N -0.153 119.927 120.200 -0.200 0.000 2.028 61 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 61 E C 2.269 178.890 176.600 0.035 0.000 0.988 61 E CA 1.229 57.668 56.400 0.065 0.000 0.799 61 E CB -0.175 29.589 29.700 0.107 0.000 0.755 61 E HN 0.266 nan 8.360 nan 0.000 0.447 62 V N 1.316 121.222 119.914 -0.014 0.000 2.256 62 V HA -0.177 3.943 4.120 -0.000 0.000 0.240 62 V C 2.368 178.423 176.094 -0.064 0.000 1.036 62 V CA 1.071 63.358 62.300 -0.022 0.000 1.008 62 V CB -0.384 31.423 31.823 -0.027 0.000 0.648 62 V HN 0.167 nan 8.190 nan 0.000 0.453 63 L N 0.046 121.186 121.223 -0.138 0.000 2.109 63 L HA 0.299 4.639 4.340 -0.000 0.000 0.207 63 L C 1.187 178.003 176.870 -0.090 0.000 1.086 63 L CA 1.830 56.488 54.840 -0.303 0.000 0.760 63 L CB -1.944 39.806 42.059 -0.516 0.000 0.910 63 L HN 0.627 nan 8.230 nan 0.000 0.437 64 G N -1.856 106.924 108.800 -0.033 0.000 2.785 64 G HA2 0.002 3.962 3.960 -0.000 0.000 0.686 64 G HA3 0.002 3.962 3.960 -0.000 0.000 0.686 64 G C 0.809 175.745 174.900 0.061 0.000 1.155 64 G CA 0.003 45.130 45.100 0.044 0.000 0.760 64 G HN 0.399 nan 8.290 nan 0.000 0.624 65 A N 0.847 123.716 122.820 0.082 0.000 2.032 65 A HA 0.002 4.322 4.320 -0.000 0.000 0.221 65 A C 1.996 179.633 177.584 0.087 0.000 1.165 65 A CA 2.480 54.577 52.037 0.100 0.000 0.645 65 A CB -0.249 18.849 19.000 0.163 0.000 0.807 65 A HN 1.502 nan 8.150 nan 0.000 0.453 66 D N -1.862 118.581 120.400 0.072 0.000 2.340 66 D HA 0.037 4.677 4.640 -0.000 0.000 0.217 66 D C 0.426 176.712 176.300 -0.023 0.000 1.081 66 D CA -0.375 53.642 54.000 0.028 0.000 0.842 66 D CB -0.929 39.883 40.800 0.020 0.000 0.934 66 D HN 0.558 nan 8.370 nan 0.000 0.511 67 H N 1.083 120.090 119.070 -0.106 0.000 2.815 67 H HA 0.308 4.864 4.556 -0.000 0.000 0.350 67 H C 0.084 175.211 175.328 -0.335 0.000 1.080 67 H CA 0.418 56.330 56.048 -0.226 0.000 1.433 67 H CB 0.723 30.331 29.762 -0.257 0.000 1.432 67 H HN 0.080 nan 8.280 nan 0.000 0.592 68 S N 3.263 118.442 115.700 -0.868 0.000 2.632 68 S HA 0.596 5.066 4.470 -0.000 0.000 0.289 68 S C -1.302 172.793 174.600 -0.841 0.000 1.115 68 S CA -0.984 56.846 58.200 -0.616 0.000 0.889 68 S CB 1.412 64.400 63.200 -0.354 0.000 1.116 68 S HN 0.402 nan 8.310 nan 0.000 0.486 69 F N 0.169 120.008 119.950 -0.186 0.000 2.508 69 F HA 0.752 5.279 4.527 -0.000 0.000 0.325 69 F C 0.888 176.557 175.800 -0.218 0.000 1.090 69 F CA -0.419 57.480 58.000 -0.170 0.000 0.945 69 F CB 2.259 41.195 39.000 -0.105 0.000 1.156 69 F HN 0.977 nan 8.300 nan 0.000 0.463 70 G N 0.511 109.263 108.800 -0.079 0.000 2.432 70 G HA2 0.664 4.624 3.960 -0.000 0.000 0.331 70 G HA3 0.664 4.624 3.960 -0.000 0.000 0.331 70 G C -1.365 173.439 174.900 -0.161 0.000 1.170 70 G CA -0.647 44.364 45.100 -0.148 0.000 0.943 70 G HN 0.528 nan 8.290 nan 0.000 0.483 71 T N 0.896 115.381 114.554 -0.115 0.000 2.912 71 T HA 0.592 4.942 4.350 -0.000 0.000 0.299 71 T C -0.798 173.840 174.700 -0.104 0.000 1.052 71 T CA -0.560 61.467 62.100 -0.121 0.000 0.996 71 T CB 2.283 71.105 68.868 -0.077 0.000 1.070 71 T HN 0.583 nan 8.240 nan 0.000 0.465 72 E N 0.756 120.881 120.200 -0.125 0.000 2.416 72 E HA 0.674 5.024 4.350 -0.000 0.000 0.273 72 E C -1.417 175.132 176.600 -0.085 0.000 0.935 72 E CA -1.076 55.272 56.400 -0.087 0.000 0.784 72 E CB 2.621 32.278 29.700 -0.073 0.000 1.301 72 E HN 0.251 nan 8.360 nan 0.000 0.454 73 V N 1.349 121.250 119.914 -0.021 0.000 2.398 73 V HA 0.593 4.713 4.120 -0.000 0.000 0.282 73 V C -0.594 175.572 176.094 0.120 0.000 1.014 73 V CA -0.469 61.860 62.300 0.047 0.000 0.838 73 V CB 0.923 32.810 31.823 0.107 0.000 1.018 73 V HN 0.746 nan 8.190 nan 0.000 0.432 74 A N 3.770 126.689 122.820 0.164 0.000 2.350 74 A HA 1.078 5.397 4.320 -0.000 0.000 0.318 74 A C -0.185 177.597 177.584 0.330 0.000 1.132 74 A CA -0.108 52.046 52.037 0.196 0.000 0.811 74 A CB 2.037 21.128 19.000 0.151 0.000 1.313 74 A HN 1.398 nan 8.150 nan 0.000 0.454 75 A N -0.572 122.428 122.820 0.300 0.000 2.593 75 A HA 0.660 4.980 4.320 -0.000 0.000 0.290 75 A C 0.503 178.053 177.584 -0.056 0.000 1.126 75 A CA 0.212 52.431 52.037 0.303 0.000 0.695 75 A CB 0.760 19.858 19.000 0.162 0.000 1.290 75 A HN 0.920 nan 8.150 nan 0.000 0.414 76 E N 0.534 120.319 120.200 -0.691 0.000 2.097 76 E HA -0.090 4.260 4.350 -0.000 0.000 0.196 76 E C 0.790 177.104 176.600 -0.477 0.000 1.000 76 E CA 2.461 58.168 56.400 -1.155 0.000 0.804 76 E CB -0.055 28.954 29.700 -1.151 0.000 0.740 76 E HN 1.054 nan 8.360 nan 0.000 0.454 77 S N -2.692 112.850 115.700 -0.263 0.000 2.755 77 S HA 0.730 5.200 4.470 -0.000 0.000 0.286 77 S C -0.337 174.218 174.600 -0.075 0.000 1.207 77 S CA -0.716 57.397 58.200 -0.145 0.000 0.892 77 S CB 0.234 63.344 63.200 -0.150 0.000 1.240 77 S HN 0.299 nan 8.310 nan 0.000 0.525 78 A N 1.059 123.847 122.820 -0.053 0.000 2.409 78 A HA 0.672 4.992 4.320 -0.000 0.000 0.246 78 A C -2.568 175.001 177.584 -0.025 0.000 1.099 78 A CA -0.808 51.212 52.037 -0.028 0.000 0.789 78 A CB -1.423 17.563 19.000 -0.024 0.000 1.053 78 A HN 0.635 nan 8.150 nan 0.000 0.503 79 P HA 0.363 nan 4.420 nan 0.000 0.281 79 P C 0.673 177.966 177.300 -0.012 0.000 1.249 79 P CA 0.151 63.246 63.100 -0.007 0.000 0.810 79 P CB 1.051 32.751 31.700 0.001 0.000 1.008 80 G N 1.605 110.398 108.800 -0.011 0.000 2.711 80 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.186 80 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.186 80 G C 0.924 175.819 174.900 -0.009 0.000 1.635 80 G CA -0.086 45.007 45.100 -0.012 0.000 1.065 80 G HN 0.380 nan 8.290 nan 0.000 0.545 81 R N -0.194 120.301 120.500 -0.008 0.000 2.112 81 R HA 0.053 4.393 4.340 -0.000 0.000 0.216 81 R C 1.504 177.801 176.300 -0.006 0.000 1.080 81 R CA 0.564 56.660 56.100 -0.007 0.000 0.996 81 R CB 0.041 30.337 30.300 -0.007 0.000 0.902 81 R HN 0.386 nan 8.270 nan 0.000 0.449 82 R N 0.111 120.608 120.500 -0.005 0.000 2.767 82 R HA 0.216 4.556 4.340 -0.000 0.000 0.377 82 R C -0.016 176.281 176.300 -0.005 0.000 1.151 82 R CA 0.185 56.282 56.100 -0.005 0.000 1.046 82 R CB 0.055 30.352 30.300 -0.005 0.000 1.404 82 R HN 0.191 nan 8.270 nan 0.000 0.580 83 G N 1.498 110.296 108.800 -0.004 0.000 2.385 83 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.294 83 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.294 83 G C -0.746 174.154 174.900 -0.000 0.000 1.070 83 G CA -0.167 44.931 45.100 -0.003 0.000 1.172 83 G HN 0.393 nan 8.290 nan 0.000 0.516 84 E N -0.467 119.732 120.200 -0.000 0.000 2.151 84 E HA 0.654 5.003 4.350 -0.000 0.000 0.275 84 E C 0.367 176.970 176.600 0.005 0.000 0.936 84 E CA -0.406 55.995 56.400 0.003 0.000 0.777 84 E CB 2.329 32.028 29.700 -0.001 0.000 1.108 84 E HN 1.176 nan 8.360 nan 0.000 0.401 85 V N 0.048 119.973 119.914 0.017 0.000 2.924 85 V HA 0.313 4.433 4.120 -0.000 0.000 0.300 85 V C 0.279 176.405 176.094 0.054 0.000 1.227 85 V CA -1.011 61.305 62.300 0.027 0.000 0.954 85 V CB 2.010 33.857 31.823 0.041 0.000 1.055 85 V HN 0.376 nan 8.190 nan 0.000 0.429 86 Q N 1.154 120.994 119.800 0.066 0.000 1.982 86 Q HA 0.215 4.555 4.340 -0.000 0.000 0.705 86 Q C -0.105 176.001 176.000 0.178 0.000 0.979 86 Q CA 0.666 56.534 55.803 0.108 0.000 0.728 86 Q CB 0.012 28.817 28.738 0.112 0.000 3.346 86 Q HN 0.932 nan 8.270 nan 0.000 0.253 87 D N 1.117 121.685 120.400 0.280 0.000 2.389 87 D HA 0.181 4.821 4.640 -0.000 0.000 0.247 87 D C -0.218 176.365 176.300 0.472 0.000 1.128 87 D CA 0.287 54.520 54.000 0.389 0.000 0.884 87 D CB 0.671 41.775 40.800 0.507 0.000 1.194 87 D HN 0.157 nan 8.370 nan 0.000 0.441 88 L N 2.101 123.552 121.223 0.381 0.000 2.346 88 L HA 0.368 4.708 4.340 -0.000 0.000 0.274 88 L C -1.373 175.733 176.870 0.392 0.000 1.007 88 L CA -0.906 54.178 54.840 0.405 0.000 0.818 88 L CB 1.363 43.587 42.059 0.275 0.000 1.284 88 L HN 0.323 nan 8.230 nan 0.000 0.424 89 Y N 3.685 124.126 120.300 0.235 0.000 2.331 89 Y HA 0.322 4.872 4.550 -0.000 0.000 0.334 89 Y C -0.268 175.671 175.900 0.065 0.000 0.960 89 Y CA -0.757 57.435 58.100 0.154 0.000 1.130 89 Y CB 1.913 40.400 38.460 0.045 0.000 1.164 89 Y HN 0.309 nan 8.280 nan 0.000 0.458 90 L N 5.500 126.792 121.223 0.114 0.000 2.261 90 L HA 0.590 4.930 4.340 -0.000 0.000 0.289 90 L C -1.081 175.757 176.870 -0.053 0.000 1.059 90 L CA -0.429 54.340 54.840 -0.118 0.000 0.816 90 L CB 0.259 42.135 42.059 -0.304 0.000 1.191 90 L HN 0.376 nan 8.230 nan 0.000 0.431 91 V N 5.161 125.032 119.914 -0.071 0.000 2.370 91 V HA 0.761 4.881 4.120 -0.000 0.000 0.283 91 V C 0.664 176.671 176.094 -0.145 0.000 1.023 91 V CA -0.319 61.938 62.300 -0.071 0.000 0.857 91 V CB 1.158 32.944 31.823 -0.062 0.000 0.985 91 V HN 0.903 nan 8.190 nan 0.000 0.443 92 G N 3.745 112.453 108.800 -0.153 0.000 2.461 92 G HA2 0.623 4.583 3.960 -0.000 0.000 0.323 92 G HA3 0.623 4.583 3.960 -0.000 0.000 0.323 92 G C -0.145 174.567 174.900 -0.312 0.000 1.229 92 G CA -0.709 44.267 45.100 -0.208 0.000 0.941 92 G HN 0.625 nan 8.290 nan 0.000 0.477 93 R N 1.500 121.736 120.500 -0.440 0.000 2.776 93 R HA 0.341 4.681 4.340 -0.000 0.000 0.391 93 R C 0.951 176.922 176.300 -0.549 0.000 1.116 93 R CA 0.098 55.691 56.100 -0.845 0.000 1.056 93 R CB 1.054 30.558 30.300 -1.326 0.000 1.369 93 R HN 1.078 nan 8.270 nan 0.000 0.590 94 G N 1.049 109.596 108.800 -0.421 0.000 2.144 94 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 94 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 94 G C -0.297 174.331 174.900 -0.453 0.000 0.988 94 G CA -0.147 44.753 45.100 -0.333 0.000 0.659 94 G HN 0.415 nan 8.290 nan 0.000 0.522 95 D N 1.297 121.512 120.400 -0.308 0.000 2.346 95 D HA 0.353 4.993 4.640 -0.000 0.000 0.260 95 D C -0.434 175.673 176.300 -0.322 0.000 1.252 95 D CA -1.597 52.213 54.000 -0.316 0.000 0.895 95 D CB 1.257 42.000 40.800 -0.095 0.000 1.097 95 D HN 0.216 nan 8.370 nan 0.000 0.489 96 P HA 0.032 nan 4.420 nan 0.000 0.253 96 P C 0.216 177.337 177.300 -0.298 0.000 1.260 96 P CA 0.358 63.239 63.100 -0.365 0.000 0.800 96 P CB 0.108 31.416 31.700 -0.654 0.000 1.162 97 T N -4.148 110.213 114.554 -0.321 0.000 3.337 97 T HA 0.150 4.500 4.350 -0.000 0.000 0.299 97 T C 0.314 174.952 174.700 -0.104 0.000 0.998 97 T CA -0.419 61.436 62.100 -0.408 0.000 0.948 97 T CB -0.395 67.831 68.868 -1.070 0.000 1.170 97 T HN -0.070 nan 8.240 nan 0.000 0.508 98 L N 4.396 125.602 121.223 -0.028 0.000 2.600 98 L HA 0.354 4.694 4.340 -0.000 0.000 0.278 98 L C 0.488 177.388 176.870 0.050 0.000 1.139 98 L CA 0.315 55.161 54.840 0.011 0.000 0.933 98 L CB -0.329 41.717 42.059 -0.023 0.000 1.266 98 L HN 0.614 nan 8.230 nan 0.000 0.471 99 S N 3.770 119.506 115.700 0.060 0.000 2.645 99 S HA 0.440 4.910 4.470 -0.000 0.000 0.266 99 S C 1.268 175.882 174.600 0.024 0.000 1.258 99 S CA -0.155 58.094 58.200 0.081 0.000 0.990 99 S CB 1.579 64.846 63.200 0.111 0.000 0.967 99 S HN 0.688 nan 8.310 nan 0.000 0.556 100 A N 0.770 123.616 122.820 0.043 0.000 1.877 100 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 100 A C 2.057 179.651 177.584 0.017 0.000 1.186 100 A CA 1.537 53.596 52.037 0.038 0.000 0.620 100 A CB -1.237 17.794 19.000 0.052 0.000 0.822 100 A HN 0.955 nan 8.150 nan 0.000 0.443 101 E N -0.194 120.011 120.200 0.007 0.000 2.209 101 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 101 E C 1.168 177.738 176.600 -0.050 0.000 0.993 101 E CA 1.026 57.421 56.400 -0.009 0.000 0.819 101 E CB -0.168 29.531 29.700 -0.003 0.000 0.745 101 E HN 0.531 nan 8.360 nan 0.000 0.477 102 D N 0.446 120.783 120.400 -0.105 0.000 2.178 102 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 102 D C 1.982 178.180 176.300 -0.169 0.000 0.974 102 D CA 0.635 54.468 54.000 -0.278 0.000 0.841 102 D CB 0.056 40.579 40.800 -0.463 0.000 0.953 102 D HN 0.206 nan 8.370 nan 0.000 0.478 103 L N 0.405 121.598 121.223 -0.051 0.000 2.072 103 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 103 L C 2.192 179.155 176.870 0.154 0.000 1.079 103 L CA 1.026 55.911 54.840 0.075 0.000 0.752 103 L CB -0.304 41.838 42.059 0.138 0.000 0.906 103 L HN -0.060 nan 8.230 nan 0.000 0.436 104 D N 0.410 120.852 120.400 0.069 0.000 2.104 104 D HA -0.205 4.435 4.640 -0.000 0.000 0.194 104 D C 2.040 178.366 176.300 0.044 0.000 0.994 104 D CA 1.402 55.429 54.000 0.045 0.000 0.830 104 D CB 0.121 40.929 40.800 0.013 0.000 0.959 104 D HN 0.243 nan 8.370 nan 0.000 0.452 105 A N -0.686 122.145 122.820 0.018 0.000 2.216 105 A HA -0.010 4.310 4.320 -0.000 0.000 0.214 105 A C 2.046 179.659 177.584 0.049 0.000 1.160 105 A CA 0.769 52.816 52.037 0.016 0.000 0.725 105 A CB -0.418 18.572 19.000 -0.017 0.000 0.784 105 A HN 0.342 nan 8.150 nan 0.000 0.472 106 M N -2.022 117.638 119.600 0.100 0.000 2.615 106 M HA 0.127 4.607 4.480 -0.000 0.000 0.262 106 M C 2.321 178.781 176.300 0.267 0.000 1.198 106 M CA 0.864 56.261 55.300 0.161 0.000 1.165 106 M CB 0.096 32.767 32.600 0.118 0.000 1.310 106 M HN 0.399 nan 8.290 nan 0.000 0.494 107 A N 0.541 123.529 122.820 0.281 0.000 2.014 107 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 107 A C 2.239 179.836 177.584 0.022 0.000 1.163 107 A CA 1.645 53.721 52.037 0.064 0.000 0.652 107 A CB -0.565 18.340 19.000 -0.159 0.000 0.808 107 A HN 0.442 nan 8.150 nan 0.000 0.449 108 A N 0.030 122.875 122.820 0.040 0.000 1.873 108 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 108 A C 1.908 179.512 177.584 0.033 0.000 1.186 108 A CA 1.495 53.545 52.037 0.021 0.000 0.616 108 A CB -0.505 18.507 19.000 0.020 0.000 0.823 108 A HN 0.589 nan 8.150 nan 0.000 0.442 109 E N -0.240 119.993 120.200 0.055 0.000 2.085 109 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 109 E C 2.040 178.673 176.600 0.054 0.000 0.994 109 E CA 1.411 57.843 56.400 0.054 0.000 0.801 109 E CB -0.325 29.414 29.700 0.065 0.000 0.743 109 E HN 0.418 nan 8.360 nan 0.000 0.453 110 V N 1.523 121.482 119.914 0.076 0.000 2.237 110 V HA -0.300 3.820 4.120 -0.000 0.000 0.245 110 V C 2.410 178.521 176.094 0.029 0.000 1.046 110 V CA 1.995 64.336 62.300 0.069 0.000 1.007 110 V CB -0.892 30.988 31.823 0.095 0.000 0.638 110 V HN 0.331 nan 8.190 nan 0.000 0.445 111 A N -0.021 122.803 122.820 0.007 0.000 1.986 111 A HA -0.052 4.268 4.320 -0.000 0.000 0.220 111 A C 1.937 179.522 177.584 0.001 0.000 1.171 111 A CA 1.777 53.809 52.037 -0.008 0.000 0.640 111 A CB -0.614 18.372 19.000 -0.023 0.000 0.811 111 A HN 0.703 nan 8.150 nan 0.000 0.451 112 A N 0.007 122.832 122.820 0.009 0.000 2.929 112 A HA 0.476 4.796 4.320 -0.000 0.000 0.279 112 A C 0.818 178.409 177.584 0.013 0.000 1.418 112 A CA 0.610 52.652 52.037 0.009 0.000 1.035 112 A CB -0.824 18.183 19.000 0.011 0.000 1.047 112 A HN 1.098 nan 8.150 nan 0.000 0.609 113 S N -3.133 112.575 115.700 0.013 0.000 2.779 113 S HA 0.469 4.939 4.470 -0.000 0.000 0.235 113 S C 0.884 175.491 174.600 0.011 0.000 0.764 113 S CA 0.574 58.782 58.200 0.014 0.000 1.050 113 S CB -0.574 62.639 63.200 0.022 0.000 1.485 113 S HN 1.989 nan 8.310 nan 0.000 0.485 114 G N 1.425 110.229 108.800 0.006 0.000 3.922 114 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.208 114 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.208 114 G C 0.080 174.982 174.900 0.002 0.000 1.491 114 G CA -0.296 44.806 45.100 0.003 0.000 1.017 114 G HN 1.424 nan 8.290 nan 0.000 0.603 115 V N 2.524 122.443 119.914 0.008 0.000 2.814 115 V HA 0.173 4.293 4.120 -0.000 0.000 0.298 115 V C 1.581 177.672 176.094 -0.005 0.000 1.195 115 V CA 2.428 64.733 62.300 0.007 0.000 1.323 115 V CB 0.860 32.694 31.823 0.018 0.000 0.842 115 V HN 0.886 nan 8.190 nan 0.000 0.494 116 R N 2.544 123.039 120.500 -0.008 0.000 2.551 116 R HA 0.173 4.513 4.340 -0.000 0.000 0.202 116 R C 0.090 176.378 176.300 -0.020 0.000 0.861 116 R CA 0.457 56.547 56.100 -0.016 0.000 1.018 116 R CB 1.080 31.372 30.300 -0.012 0.000 1.435 116 R HN 0.714 nan 8.270 nan 0.000 0.659 117 T N 0.791 115.338 114.554 -0.011 0.000 2.916 117 T HA 0.434 4.784 4.350 -0.000 0.000 0.298 117 T C -1.346 173.355 174.700 0.002 0.000 1.031 117 T CA -0.489 61.605 62.100 -0.010 0.000 0.993 117 T CB 2.580 71.444 68.868 -0.007 0.000 1.045 117 T HN -0.126 nan 8.240 nan 0.000 0.454 118 V N 3.574 123.490 119.914 0.002 0.000 2.284 118 V HA 0.331 4.450 4.120 -0.000 0.000 0.274 118 V C 1.096 177.206 176.094 0.026 0.000 1.023 118 V CA -0.608 61.706 62.300 0.024 0.000 0.808 118 V CB 1.027 32.865 31.823 0.026 0.000 1.035 118 V HN 0.695 nan 8.190 nan 0.000 0.445 119 R N 3.215 123.736 120.500 0.034 0.000 2.193 119 R HA 0.149 4.489 4.340 -0.000 0.000 0.213 119 R C 1.311 177.641 176.300 0.051 0.000 1.055 119 R CA 1.009 57.129 56.100 0.033 0.000 0.995 119 R CB -0.135 30.183 30.300 0.030 0.000 0.893 119 R HN 0.788 nan 8.270 nan 0.000 0.459 120 G N -1.006 107.841 108.800 0.078 0.000 2.509 120 G HA2 0.125 4.085 3.960 -0.000 0.000 0.269 120 G HA3 0.125 4.085 3.960 -0.000 0.000 0.269 120 G C -0.710 174.252 174.900 0.104 0.000 1.416 120 G CA -0.556 44.613 45.100 0.115 0.000 1.052 120 G HN 0.121 nan 8.290 nan 0.000 0.542 121 D N -0.938 119.556 120.400 0.156 0.000 2.332 121 D HA 0.393 5.033 4.640 -0.000 0.000 0.252 121 D C -0.611 175.701 176.300 0.020 0.000 1.050 121 D CA -0.307 53.720 54.000 0.045 0.000 0.970 121 D CB 2.312 43.102 40.800 -0.016 0.000 1.141 121 D HN 0.116 nan 8.370 nan 0.000 0.485 122 L N 1.554 122.673 121.223 -0.173 0.000 2.282 122 L HA 0.333 4.673 4.340 -0.000 0.000 0.288 122 L C -1.615 175.011 176.870 -0.407 0.000 1.033 122 L CA -0.421 54.344 54.840 -0.126 0.000 0.807 122 L CB 0.473 42.504 42.059 -0.047 0.000 1.209 122 L HN 0.202 nan 8.230 nan 0.000 0.423 123 Y N 3.669 123.778 120.300 -0.318 0.000 2.364 123 Y HA 0.715 5.265 4.550 -0.000 0.000 0.340 123 Y C 0.235 176.010 175.900 -0.209 0.000 0.975 123 Y CA -0.732 57.116 58.100 -0.421 0.000 1.089 123 Y CB 2.027 39.839 38.460 -1.080 0.000 1.192 123 Y HN 0.728 nan 8.280 nan 0.000 0.454 124 A N 2.711 125.533 122.820 0.002 0.000 2.253 124 A HA 0.388 4.708 4.320 -0.000 0.000 0.316 124 A C -0.970 176.656 177.584 0.070 0.000 1.327 124 A CA -0.520 51.528 52.037 0.018 0.000 0.917 124 A CB 0.075 19.066 19.000 -0.015 0.000 1.162 124 A HN 0.634 nan 8.150 nan 0.000 0.535 125 D N 2.562 123.014 120.400 0.086 0.000 2.329 125 D HA 0.322 4.962 4.640 -0.000 0.000 0.232 125 D C -0.417 175.904 176.300 0.034 0.000 1.088 125 D CA -0.286 53.773 54.000 0.099 0.000 0.835 125 D CB 1.301 42.190 40.800 0.149 0.000 1.078 125 D HN 0.527 nan 8.370 nan 0.000 0.495 126 D N 0.913 121.338 120.400 0.042 0.000 2.535 126 D HA -0.052 4.588 4.640 -0.000 0.000 0.229 126 D C 1.174 177.516 176.300 0.070 0.000 1.238 126 D CA -0.105 53.908 54.000 0.022 0.000 0.824 126 D CB -0.347 40.465 40.800 0.020 0.000 1.045 126 D HN 0.302 nan 8.370 nan 0.000 0.500 127 T N -3.691 110.917 114.554 0.089 0.000 3.052 127 T HA -0.189 4.160 4.350 -0.000 0.000 0.270 127 T C 1.432 176.224 174.700 0.154 0.000 1.147 127 T CA 0.193 62.353 62.100 0.100 0.000 1.089 127 T CB -0.973 67.939 68.868 0.073 0.000 0.875 127 T HN 0.462 nan 8.240 nan 0.000 0.541 128 W N 0.910 122.165 121.300 -0.075 0.000 2.342 128 W HA 0.038 4.698 4.660 -0.000 0.000 0.297 128 W C -0.541 176.039 176.519 0.101 0.000 1.213 128 W CA 0.249 57.544 57.345 -0.084 0.000 1.251 128 W CB 0.057 29.351 29.460 -0.276 0.000 1.136 128 W HN 0.142 nan 8.180 nan 0.000 0.526 129 F N 1.331 121.275 119.950 -0.009 0.000 2.541 129 F HA 0.193 4.720 4.527 -0.000 0.000 0.331 129 F C 0.619 176.344 175.800 -0.124 0.000 1.057 129 F CA -2.055 55.844 58.000 -0.168 0.000 0.975 129 F CB -0.061 38.854 39.000 -0.141 0.000 1.246 129 F HN -0.209 nan 8.300 nan 0.000 0.484 130 D N -1.184 119.230 120.400 0.022 0.000 2.393 130 D HA 0.156 4.796 4.640 -0.000 0.000 0.246 130 D C 0.607 176.919 176.300 0.020 0.000 1.275 130 D CA -0.211 53.784 54.000 -0.008 0.000 0.979 130 D CB 0.103 40.867 40.800 -0.061 0.000 1.101 130 D HN 0.327 nan 8.370 nan 0.000 0.505 131 S N -2.609 113.106 115.700 0.025 0.000 2.597 131 S HA 0.003 4.473 4.470 -0.000 0.000 0.224 131 S C 0.499 175.131 174.600 0.053 0.000 0.955 131 S CA -0.558 57.671 58.200 0.047 0.000 0.933 131 S CB -0.638 62.594 63.200 0.052 0.000 0.788 131 S HN 0.590 nan 8.310 nan 0.000 0.488 132 E N 1.974 122.198 120.200 0.039 0.000 2.081 132 E HA 0.106 4.456 4.350 -0.000 0.000 0.270 132 E C 0.705 177.399 176.600 0.157 0.000 1.180 132 E CA -0.506 55.957 56.400 0.104 0.000 0.926 132 E CB 0.328 30.117 29.700 0.148 0.000 1.035 132 E HN 0.158 nan 8.360 nan 0.000 0.418 133 R N 3.026 123.626 120.500 0.167 0.000 2.148 133 R HA 0.113 4.453 4.340 -0.000 0.000 0.223 133 R C 0.387 176.872 176.300 0.309 0.000 1.088 133 R CA 0.706 56.932 56.100 0.210 0.000 0.985 133 R CB -0.410 29.993 30.300 0.172 0.000 0.880 133 R HN 0.451 nan 8.270 nan 0.000 0.451 134 L N -0.555 120.787 121.223 0.199 0.000 2.350 134 L HA 0.412 4.752 4.340 -0.000 0.000 0.260 134 L C -0.301 176.171 176.870 -0.665 0.000 1.015 134 L CA -1.146 53.632 54.840 -0.104 0.000 0.821 134 L CB 2.385 44.513 42.059 0.116 0.000 1.370 134 L HN -0.368 nan 8.230 nan 0.000 0.416 135 V N 1.216 120.066 119.914 -1.775 0.000 2.715 135 V HA -0.032 4.088 4.120 -0.000 0.000 0.299 135 V C 0.726 176.333 176.094 -0.812 0.000 1.054 135 V CA 0.057 61.316 62.300 -1.735 0.000 1.077 135 V CB 1.102 31.495 31.823 -2.383 0.000 0.972 135 V HN 1.004 nan 8.190 nan 0.000 0.484 136 D N 3.428 123.537 120.400 -0.485 0.000 2.158 136 D HA -0.237 4.402 4.640 -0.000 0.000 0.197 136 D C 1.086 177.338 176.300 -0.079 0.000 0.995 136 D CA 1.676 55.554 54.000 -0.204 0.000 0.846 136 D CB -0.293 40.424 40.800 -0.137 0.000 0.941 136 D HN 0.772 nan 8.370 nan 0.000 0.456 137 D N -1.875 118.485 120.400 -0.068 0.000 2.342 137 D HA -0.034 4.605 4.640 -0.000 0.000 0.221 137 D C -0.159 176.343 176.300 0.336 0.000 1.101 137 D CA -0.691 53.385 54.000 0.126 0.000 0.837 137 D CB -0.743 40.119 40.800 0.103 0.000 0.938 137 D HN 0.144 nan 8.370 nan 0.000 0.508 138 W N 0.999 122.323 121.300 0.040 0.000 2.170 138 W HA 0.261 4.921 4.660 -0.000 0.000 0.336 138 W C 0.302 176.983 176.519 0.269 0.000 1.283 138 W CA -1.230 56.150 57.345 0.058 0.000 1.224 138 W CB 0.065 29.523 29.460 -0.004 0.000 1.132 138 W HN -0.063 nan 8.180 nan 0.000 0.571 139 W N 4.900 126.306 121.300 0.176 0.000 2.287 139 W HA 0.190 4.850 4.660 -0.000 0.000 0.313 139 W C -0.900 175.686 176.519 0.111 0.000 1.267 139 W CA -2.593 54.813 57.345 0.101 0.000 1.201 139 W CB -0.370 29.118 29.460 0.046 0.000 1.196 139 W HN 0.192 nan 8.180 nan 0.000 0.536 140 P HA -0.178 nan 4.420 nan 0.000 0.222 140 P C 0.626 178.039 177.300 0.188 0.000 1.147 140 P CA 1.598 64.816 63.100 0.197 0.000 0.790 140 P CB 0.488 32.259 31.700 0.119 0.000 0.780 141 E N 0.116 120.443 120.200 0.211 0.000 2.265 141 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 141 E C 1.487 178.252 176.600 0.276 0.000 0.996 141 E CA 0.969 57.495 56.400 0.210 0.000 0.832 141 E CB -0.593 29.228 29.700 0.201 0.000 0.756 141 E HN 0.328 nan 8.360 nan 0.000 0.491 142 D N 0.228 120.793 120.400 0.274 0.000 2.348 142 D HA -0.045 4.595 4.640 -0.000 0.000 0.211 142 D C 1.177 177.642 176.300 0.276 0.000 0.998 142 D CA 0.245 54.416 54.000 0.284 0.000 0.873 142 D CB 0.058 40.932 40.800 0.123 0.000 0.925 142 D HN 0.307 nan 8.370 nan 0.000 0.524 143 E N 0.964 121.278 120.200 0.190 0.000 2.130 143 E HA -0.164 4.185 4.350 -0.000 0.000 0.196 143 E C -0.735 175.863 176.600 -0.004 0.000 0.998 143 E CA 0.960 57.433 56.400 0.121 0.000 0.806 143 E CB -0.685 29.087 29.700 0.121 0.000 0.738 143 E HN 0.359 nan 8.360 nan 0.000 0.459 144 P HA -0.129 nan 4.420 nan 0.000 0.229 144 P C -0.255 176.645 177.300 -0.666 0.000 1.160 144 P CA 1.046 63.850 63.100 -0.494 0.000 0.777 144 P CB -0.023 31.266 31.700 -0.686 0.000 0.814 145 Y N -0.733 119.609 120.300 0.070 0.000 2.334 145 Y HA 0.500 5.050 4.550 -0.000 0.000 0.328 145 Y C 2.050 177.943 175.900 -0.011 0.000 1.130 145 Y CA -0.769 57.366 58.100 0.058 0.000 1.163 145 Y CB 0.157 38.736 38.460 0.198 0.000 1.207 145 Y HN -0.186 nan 8.280 nan 0.000 0.471 146 A N 1.901 124.692 122.820 -0.047 0.000 2.009 146 A HA -0.298 4.022 4.320 -0.000 0.000 0.222 146 A C 1.594 179.089 177.584 -0.148 0.000 1.175 146 A CA 2.023 53.968 52.037 -0.153 0.000 0.651 146 A CB -1.233 17.607 19.000 -0.266 0.000 0.815 146 A HN 0.927 nan 8.150 nan 0.000 0.459 147 Y N -0.438 119.877 120.300 0.026 0.000 2.256 147 Y HA -0.077 4.473 4.550 -0.000 0.000 0.288 147 Y C 2.490 178.317 175.900 -0.122 0.000 1.155 147 Y CA 1.417 59.486 58.100 -0.051 0.000 1.203 147 Y CB -0.304 38.108 38.460 -0.081 0.000 0.980 147 Y HN 0.324 nan 8.280 nan 0.000 0.530 148 S N 0.042 115.784 115.700 0.070 0.000 2.581 148 S HA 0.587 5.057 4.470 -0.000 0.000 0.245 148 S C 0.288 174.963 174.600 0.125 0.000 1.115 148 S CA -0.465 57.716 58.200 -0.030 0.000 1.093 148 S CB -0.981 62.199 63.200 -0.035 0.000 0.853 148 S HN 0.293 nan 8.310 nan 0.000 0.479 149 A N 1.440 124.335 122.820 0.126 0.000 2.520 149 A HA 0.296 4.616 4.320 -0.000 0.000 0.235 149 A C 0.507 178.251 177.584 0.267 0.000 1.065 149 A CA 0.075 52.206 52.037 0.158 0.000 0.764 149 A CB 0.121 19.193 19.000 0.121 0.000 1.002 149 A HN 0.732 nan 8.150 nan 0.000 0.502 150 Q N 0.045 119.988 119.800 0.237 0.000 2.432 150 Q HA 0.211 4.551 4.340 -0.000 0.000 0.264 150 Q C -0.444 175.714 176.000 0.265 0.000 1.035 150 Q CA 0.013 55.978 55.803 0.270 0.000 0.908 150 Q CB 0.497 29.353 28.738 0.196 0.000 1.280 150 Q HN 0.552 nan 8.270 nan 0.000 0.455 151 I N 1.205 121.941 120.570 0.277 0.000 2.359 151 I HA 0.317 4.487 4.170 -0.000 0.000 0.294 151 I C 0.049 176.261 176.117 0.159 0.000 0.987 151 I CA 0.109 61.536 61.300 0.212 0.000 1.225 151 I CB 1.127 39.215 38.000 0.146 0.000 1.366 151 I HN 0.492 nan 8.210 nan 0.000 0.466 152 S N 3.506 119.323 115.700 0.195 0.000 2.550 152 S HA 0.664 5.134 4.470 -0.000 0.000 0.270 152 S C 0.534 175.237 174.600 0.171 0.000 1.145 152 S CA 0.043 58.356 58.200 0.189 0.000 0.852 152 S CB 1.820 65.084 63.200 0.106 0.000 1.119 152 S HN 0.683 nan 8.310 nan 0.000 0.465 153 A N 2.621 125.435 122.820 -0.010 0.000 2.066 153 A HA 0.281 4.601 4.320 -0.000 0.000 0.218 153 A C 0.757 178.187 177.584 -0.257 0.000 1.157 153 A CA 0.668 52.402 52.037 -0.505 0.000 0.670 153 A CB -0.243 18.390 19.000 -0.612 0.000 0.804 153 A HN 0.733 nan 8.150 nan 0.000 0.453 154 L N 0.702 121.856 121.223 -0.115 0.000 2.353 154 L HA 0.453 4.793 4.340 -0.000 0.000 0.270 154 L C -0.903 175.940 176.870 -0.045 0.000 1.003 154 L CA 0.043 54.826 54.840 -0.095 0.000 0.862 154 L CB 1.271 43.279 42.059 -0.085 0.000 1.221 154 L HN 0.193 nan 8.230 nan 0.000 0.430 155 T N 2.932 117.465 114.554 -0.035 0.000 2.903 155 T HA 0.561 4.911 4.350 -0.000 0.000 0.299 155 T C -1.099 173.607 174.700 0.010 0.000 1.093 155 T CA -0.296 61.808 62.100 0.006 0.000 1.002 155 T CB 1.991 70.889 68.868 0.050 0.000 1.127 155 T HN 0.164 nan 8.240 nan 0.000 0.488 156 V N 3.605 123.537 119.914 0.031 0.000 2.370 156 V HA 0.720 4.840 4.120 -0.000 0.000 0.279 156 V C 0.692 176.853 176.094 0.112 0.000 1.029 156 V CA -0.782 61.550 62.300 0.054 0.000 0.870 156 V CB 0.832 32.680 31.823 0.041 0.000 0.984 156 V HN 1.097 nan 8.190 nan 0.000 0.451 157 A N 3.795 126.711 122.820 0.160 0.000 2.327 157 A HA 0.618 4.938 4.320 -0.000 0.000 0.283 157 A C -0.447 177.284 177.584 0.246 0.000 1.127 157 A CA -0.239 51.952 52.037 0.256 0.000 0.810 157 A CB 0.210 19.450 19.000 0.400 0.000 1.066 157 A HN 1.030 nan 8.150 nan 0.000 0.492 158 H N 0.732 119.869 119.070 0.110 0.000 2.472 158 H HA 0.561 5.117 4.556 -0.000 0.000 0.338 158 H C 0.687 175.980 175.328 -0.059 0.000 1.133 158 H CA 0.806 56.870 56.048 0.027 0.000 1.216 158 H CB 1.139 30.902 29.762 0.001 0.000 1.497 158 H HN 1.597 nan 8.280 nan 0.000 0.500 159 G N 3.171 111.372 108.800 -0.998 0.000 2.749 159 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.242 159 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.242 159 G C 0.795 175.322 174.900 -0.623 0.000 1.364 159 G CA 0.335 44.962 45.100 -0.790 0.000 0.888 159 G HN 0.932 nan 8.290 nan 0.000 0.566 160 E N -0.410 119.489 120.200 -0.501 0.000 2.482 160 E HA 0.031 4.380 4.350 -0.000 0.000 0.196 160 E C 2.030 178.294 176.600 -0.561 0.000 1.047 160 E CA 0.890 56.959 56.400 -0.551 0.000 0.869 160 E CB 0.051 29.625 29.700 -0.210 0.000 0.836 160 E HN 0.564 nan 8.360 nan 0.000 0.520 161 R N -0.161 120.079 120.500 -0.434 0.000 2.334 161 R HA 0.160 4.500 4.340 -0.000 0.000 0.216 161 R C -0.379 175.919 176.300 -0.003 0.000 0.905 161 R CA -0.006 55.960 56.100 -0.223 0.000 1.064 161 R CB -0.111 29.914 30.300 -0.459 0.000 1.046 161 R HN 0.095 nan 8.270 nan 0.000 0.508 162 F N 1.502 121.519 119.950 0.112 0.000 3.039 162 F HA -0.226 4.301 4.527 -0.000 0.000 0.287 162 F C -0.664 175.227 175.800 0.151 0.000 0.956 162 F CA 0.168 58.267 58.000 0.165 0.000 0.971 162 F CB -1.692 37.483 39.000 0.292 0.000 0.943 162 F HN 0.067 nan 8.300 nan 0.000 0.766 163 D N 1.464 121.965 120.400 0.169 0.000 2.382 163 D HA 0.156 4.796 4.640 -0.000 0.000 0.259 163 D C 0.943 177.341 176.300 0.163 0.000 1.224 163 D CA 0.611 54.676 54.000 0.108 0.000 0.894 163 D CB 1.032 41.860 40.800 0.047 0.000 1.127 163 D HN 0.357 nan 8.370 nan 0.000 0.487 164 T N -1.515 113.134 114.554 0.158 0.000 2.899 164 T HA 0.468 4.818 4.350 -0.000 0.000 0.284 164 T C 1.240 176.007 174.700 0.110 0.000 1.004 164 T CA -0.152 62.042 62.100 0.157 0.000 1.043 164 T CB 1.619 70.595 68.868 0.180 0.000 1.013 164 T HN 0.533 nan 8.240 nan 0.000 0.518 165 G N 0.273 109.132 108.800 0.099 0.000 2.203 165 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.263 165 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.263 165 G C 0.147 175.083 174.900 0.059 0.000 1.012 165 G CA 0.553 45.703 45.100 0.083 0.000 0.749 165 G HN 1.876 nan 8.290 nan 0.000 0.512 166 V N -4.420 115.517 119.914 0.039 0.000 3.155 166 V HA 1.003 5.123 4.120 -0.000 0.000 0.313 166 V C -0.084 175.992 176.094 -0.031 0.000 1.162 166 V CA -0.092 62.204 62.300 -0.007 0.000 1.048 166 V CB 2.106 33.901 31.823 -0.046 0.000 1.092 166 V HN 0.839 nan 8.190 nan 0.000 0.447 167 T N 0.406 114.916 114.554 -0.074 0.000 2.909 167 T HA 0.417 4.767 4.350 -0.000 0.000 0.299 167 T C -1.094 173.503 174.700 -0.171 0.000 1.073 167 T CA -0.344 61.701 62.100 -0.093 0.000 0.999 167 T CB 1.652 70.505 68.868 -0.026 0.000 1.098 167 T HN 1.121 nan 8.240 nan 0.000 0.477 168 E N 3.526 123.586 120.200 -0.233 0.000 2.089 168 E HA 0.477 4.827 4.350 -0.000 0.000 0.284 168 E C -0.903 175.633 176.600 -0.106 0.000 1.023 168 E CA -0.570 55.691 56.400 -0.232 0.000 0.819 168 E CB 0.617 30.130 29.700 -0.312 0.000 1.076 168 E HN 0.377 nan 8.360 nan 0.000 0.396 169 V N 4.598 124.463 119.914 -0.080 0.000 2.407 169 V HA 0.231 4.351 4.120 -0.000 0.000 0.278 169 V C 0.087 176.163 176.094 -0.031 0.000 1.037 169 V CA -0.439 61.834 62.300 -0.045 0.000 0.900 169 V CB 1.126 32.925 31.823 -0.039 0.000 0.983 169 V HN 0.732 nan 8.190 nan 0.000 0.459 170 S N 4.334 120.023 115.700 -0.019 0.000 2.503 170 S HA 0.806 5.276 4.470 -0.000 0.000 0.301 170 S C -0.958 173.639 174.600 -0.005 0.000 1.087 170 S CA -0.745 57.449 58.200 -0.010 0.000 1.042 170 S CB 1.978 65.175 63.200 -0.005 0.000 1.043 170 S HN 0.361 nan 8.310 nan 0.000 0.489 171 V N 2.934 122.846 119.914 -0.002 0.000 2.376 171 V HA 0.449 4.569 4.120 -0.000 0.000 0.287 171 V C -0.314 175.781 176.094 0.002 0.000 1.015 171 V CA -0.463 61.837 62.300 0.000 0.000 0.834 171 V CB 1.455 33.279 31.823 0.002 0.000 1.001 171 V HN 1.059 nan 8.190 nan 0.000 0.428 172 T N 7.996 122.550 114.554 0.002 0.000 2.749 172 T HA 0.413 4.763 4.350 -0.000 0.000 0.287 172 T C -2.433 172.268 174.700 0.002 0.000 0.970 172 T CA -1.133 60.969 62.100 0.002 0.000 0.980 172 T CB 1.676 70.546 68.868 0.003 0.000 0.924 172 T HN 0.472 nan 8.240 nan 0.000 0.456 173 P HA 0.395 nan 4.420 nan 0.000 0.274 173 P C -0.360 176.942 177.300 0.002 0.000 1.231 173 P CA -0.339 62.763 63.100 0.003 0.000 0.790 173 P CB 1.063 32.765 31.700 0.003 0.000 0.951 174 A N 2.669 125.490 122.820 0.002 0.000 3.774 174 A HA 0.745 5.065 4.320 -0.000 0.000 0.171 174 A C 0.299 177.884 177.584 0.002 0.000 1.655 174 A CA 0.044 52.082 52.037 0.002 0.000 1.543 174 A CB -0.525 18.476 19.000 0.001 0.000 1.659 174 A HN 0.622 nan 8.150 nan 0.000 0.636 175 A N -0.640 122.181 122.820 0.001 0.000 2.294 175 A HA 0.559 4.878 4.320 -0.000 0.000 0.330 175 A C 0.011 177.596 177.584 0.001 0.000 1.133 175 A CA -0.316 51.722 52.037 0.001 0.000 0.836 175 A CB 0.178 19.178 19.000 0.001 0.000 1.190 175 A HN 0.712 nan 8.150 nan 0.000 0.492 176 E N 0.109 120.310 120.200 0.002 0.000 2.729 176 E HA 0.241 4.591 4.350 -0.000 0.000 0.246 176 E C 1.165 177.766 176.600 0.001 0.000 0.984 176 E CA 1.278 57.679 56.400 0.002 0.000 0.951 176 E CB -0.271 29.430 29.700 0.001 0.000 0.914 176 E HN 1.529 nan 8.360 nan 0.000 0.509 177 G N 3.767 112.567 108.800 0.001 0.000 2.232 177 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.226 177 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.226 177 G C -0.131 174.769 174.900 0.001 0.000 0.996 177 G CA 0.195 45.296 45.100 0.001 0.000 0.626 177 G HN 0.595 nan 8.290 nan 0.000 0.509 178 E N 2.359 122.559 120.200 0.001 0.000 2.248 178 E HA 0.497 4.847 4.350 -0.000 0.000 0.272 178 E C -2.252 174.348 176.600 0.001 0.000 1.008 178 E CA -1.979 54.421 56.400 0.001 0.000 0.856 178 E CB 1.723 31.424 29.700 0.001 0.000 1.120 178 E HN 0.232 nan 8.360 nan 0.000 0.397 179 P HA -0.035 nan 4.420 nan 0.000 0.270 179 P C -1.015 176.285 177.300 0.000 0.000 1.227 179 P CA -0.056 63.044 63.100 0.000 0.000 0.788 179 P CB 0.577 32.277 31.700 -0.001 0.000 0.926 180 A N 0.788 123.609 122.820 0.000 0.000 2.295 180 A HA 0.360 4.679 4.320 -0.000 0.000 0.318 180 A C -0.215 177.369 177.584 -0.000 0.000 1.134 180 A CA -0.396 51.641 52.037 0.001 0.000 0.827 180 A CB 0.022 19.023 19.000 0.001 0.000 1.136 180 A HN 0.544 nan 8.150 nan 0.000 0.493 181 D N 0.747 121.148 120.400 0.000 0.000 2.249 181 D HA 0.444 5.084 4.640 -0.000 0.000 0.246 181 D C -0.893 175.406 176.300 -0.001 0.000 1.114 181 D CA 0.132 54.132 54.000 -0.000 0.000 0.854 181 D CB 1.070 41.870 40.800 0.001 0.000 1.132 181 D HN 0.165 nan 8.370 nan 0.000 0.461 182 V N 4.037 123.950 119.914 -0.002 0.000 2.417 182 V HA 0.360 4.480 4.120 -0.000 0.000 0.291 182 V C -0.537 175.555 176.094 -0.004 0.000 1.024 182 V CA -0.771 61.527 62.300 -0.004 0.000 0.861 182 V CB 1.732 33.551 31.823 -0.007 0.000 0.985 182 V HN 0.572 nan 8.190 nan 0.000 0.436 183 D N 3.449 123.847 120.400 -0.003 0.000 2.278 183 D HA 0.486 5.126 4.640 -0.000 0.000 0.245 183 D C 0.365 176.662 176.300 -0.005 0.000 1.052 183 D CA -0.500 53.500 54.000 -0.001 0.000 0.834 183 D CB 2.180 42.982 40.800 0.003 0.000 1.194 183 D HN 0.227 nan 8.370 nan 0.000 0.481 184 L N 1.820 123.041 121.223 -0.003 0.000 2.558 184 L HA 0.300 4.640 4.340 -0.000 0.000 0.225 184 L C 1.444 178.311 176.870 -0.006 0.000 1.128 184 L CA 0.801 55.636 54.840 -0.008 0.000 0.868 184 L CB -0.978 41.076 42.059 -0.008 0.000 1.006 184 L HN 0.773 nan 8.230 nan 0.000 0.454 185 G N -0.456 108.347 108.800 0.005 0.000 2.562 185 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.250 185 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.250 185 G C 1.009 175.930 174.900 0.034 0.000 1.269 185 G CA 0.317 45.424 45.100 0.011 0.000 0.919 185 G HN 0.413 nan 8.290 nan 0.000 0.574 186 A N -0.753 122.092 122.820 0.042 0.000 2.093 186 A HA 0.207 4.527 4.320 -0.000 0.000 0.222 186 A C 2.764 180.398 177.584 0.082 0.000 1.162 186 A CA 3.323 55.404 52.037 0.073 0.000 0.655 186 A CB -0.763 18.278 19.000 0.069 0.000 0.805 186 A HN 2.378 nan 8.150 nan 0.000 0.461 187 A N -0.748 122.104 122.820 0.053 0.000 2.251 187 A HA 0.253 4.573 4.320 -0.000 0.000 0.209 187 A C 0.836 178.426 177.584 0.011 0.000 1.187 187 A CA 0.495 52.571 52.037 0.065 0.000 0.823 187 A CB -0.211 18.835 19.000 0.077 0.000 0.846 187 A HN 0.465 nan 8.150 nan 0.000 0.486 188 E N -0.012 120.201 120.200 0.021 0.000 2.415 188 E HA 0.360 4.710 4.350 -0.000 0.000 0.260 188 E C 1.110 177.703 176.600 -0.012 0.000 1.016 188 E CA 1.105 57.513 56.400 0.013 0.000 0.924 188 E CB -0.234 29.494 29.700 0.045 0.000 0.961 188 E HN 0.729 nan 8.360 nan 0.000 0.459 189 G N 3.291 112.049 108.800 -0.070 0.000 2.176 189 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.232 189 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.232 189 G C 0.229 174.914 174.900 -0.357 0.000 0.986 189 G CA 0.331 45.366 45.100 -0.108 0.000 0.643 189 G HN 0.605 nan 8.290 nan 0.000 0.522 190 Y N 0.042 120.068 120.300 -0.457 0.000 2.820 190 Y HA 0.701 5.251 4.550 -0.000 0.000 0.261 190 Y C 1.339 177.134 175.900 -0.175 0.000 1.123 190 Y CA 1.328 59.208 58.100 -0.367 0.000 1.217 190 Y CB 0.145 38.358 38.460 -0.411 0.000 1.432 190 Y HN 0.723 nan 8.280 nan 0.000 0.461 191 A N 1.505 124.167 122.820 -0.262 0.000 2.295 191 A HA 0.452 4.772 4.320 -0.000 0.000 0.318 191 A C -0.236 177.245 177.584 -0.172 0.000 1.134 191 A CA -0.578 51.295 52.037 -0.274 0.000 0.827 191 A CB 0.463 19.387 19.000 -0.127 0.000 1.136 191 A HN 0.429 nan 8.150 nan 0.000 0.493 192 E N -0.636 119.470 120.200 -0.157 0.000 2.371 192 E HA 0.354 4.704 4.350 -0.000 0.000 0.257 192 E C -1.315 175.241 176.600 -0.074 0.000 1.134 192 E CA -0.330 56.008 56.400 -0.103 0.000 0.919 192 E CB 1.047 30.692 29.700 -0.092 0.000 1.025 192 E HN 0.413 nan 8.360 nan 0.000 0.438 193 L N 2.088 123.279 121.223 -0.054 0.000 2.441 193 L HA 0.298 4.638 4.340 -0.000 0.000 0.270 193 L C -1.472 175.379 176.870 -0.031 0.000 0.973 193 L CA -0.349 54.467 54.840 -0.039 0.000 0.842 193 L CB 1.734 43.774 42.059 -0.031 0.000 1.239 193 L HN 0.310 nan 8.230 nan 0.000 0.406 194 D N 3.051 123.434 120.400 -0.028 0.000 2.460 194 D HA 0.230 4.870 4.640 -0.000 0.000 0.268 194 D C -0.731 175.559 176.300 -0.016 0.000 1.153 194 D CA -0.118 53.870 54.000 -0.021 0.000 0.929 194 D CB 0.355 41.142 40.800 -0.022 0.000 1.015 194 D HN 0.460 nan 8.370 nan 0.000 0.502 195 N N 2.451 121.143 118.700 -0.013 0.000 2.415 195 N HA 0.149 4.889 4.740 -0.000 0.000 0.246 195 N C 0.139 175.645 175.510 -0.006 0.000 1.078 195 N CA -0.225 52.819 53.050 -0.009 0.000 0.942 195 N CB 0.627 39.109 38.487 -0.008 0.000 1.140 195 N HN 0.130 nan 8.380 nan 0.000 0.501 196 R N 1.766 122.264 120.500 -0.004 0.000 2.509 196 R HA 0.424 4.764 4.340 -0.000 0.000 0.300 196 R C -0.236 176.064 176.300 -0.000 0.000 0.985 196 R CA -0.336 55.762 56.100 -0.002 0.000 1.092 196 R CB -0.016 30.283 30.300 -0.002 0.000 1.237 196 R HN 0.544 nan 8.270 nan 0.000 0.546 197 A N 0.510 123.330 122.820 0.000 0.000 2.388 197 A HA 0.499 4.819 4.320 -0.000 0.000 0.257 197 A C 0.286 177.871 177.584 0.002 0.000 1.095 197 A CA -0.383 51.655 52.037 0.002 0.000 0.791 197 A CB 0.407 19.408 19.000 0.003 0.000 1.029 197 A HN 0.106 nan 8.150 nan 0.000 0.489 198 V N -0.149 119.766 119.914 0.002 0.000 3.166 198 V HA 0.850 4.970 4.120 -0.000 0.000 0.317 198 V C 0.005 176.100 176.094 0.003 0.000 1.136 198 V CA -0.585 61.717 62.300 0.002 0.000 1.035 198 V CB 1.569 33.393 31.823 0.002 0.000 1.110 198 V HN 0.760 nan 8.190 nan 0.000 0.450 199 T N 1.844 116.400 114.554 0.002 0.000 2.795 199 T HA 0.717 5.067 4.350 -0.000 0.000 0.282 199 T C 0.281 174.983 174.700 0.002 0.000 0.980 199 T CA 0.364 62.466 62.100 0.002 0.000 1.012 199 T CB 1.054 69.923 68.868 0.002 0.000 0.936 199 T HN 1.294 nan 8.240 nan 0.000 0.457 200 G N 1.051 109.852 108.800 0.003 0.000 2.552 200 G HA2 0.648 4.608 3.960 -0.000 0.000 0.318 200 G HA3 0.648 4.608 3.960 -0.000 0.000 0.318 200 G C -0.190 174.711 174.900 0.002 0.000 1.240 200 G CA -0.929 44.173 45.100 0.003 0.000 1.002 200 G HN 0.967 nan 8.290 nan 0.000 0.493 201 A N -0.479 122.342 122.820 0.002 0.000 2.531 201 A HA 0.524 4.843 4.320 -0.000 0.000 0.236 201 A C 1.119 178.705 177.584 0.002 0.000 1.062 201 A CA 0.479 52.517 52.037 0.002 0.000 0.760 201 A CB -0.317 18.684 19.000 0.002 0.000 0.995 201 A HN 1.989 nan 8.150 nan 0.000 0.501 202 A N 1.603 124.424 122.820 0.002 0.000 2.567 202 A HA 0.463 4.783 4.320 -0.000 0.000 0.240 202 A C 1.704 179.289 177.584 0.002 0.000 1.053 202 A CA 0.909 52.947 52.037 0.002 0.000 0.755 202 A CB -0.832 18.170 19.000 0.002 0.000 0.978 202 A HN 2.793 nan 8.150 nan 0.000 0.507 203 G N 1.693 110.494 108.800 0.002 0.000 2.176 203 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.253 203 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.253 203 G C 0.639 175.541 174.900 0.002 0.000 0.979 203 G CA 0.919 46.020 45.100 0.002 0.000 0.641 203 G HN 2.100 nan 8.290 nan 0.000 0.530 204 S N 0.133 115.835 115.700 0.003 0.000 2.608 204 S HA 0.709 5.179 4.470 -0.000 0.000 0.261 204 S C 0.812 175.414 174.600 0.003 0.000 1.314 204 S CA 0.349 58.551 58.200 0.003 0.000 0.992 204 S CB 1.609 64.811 63.200 0.003 0.000 0.935 204 S HN 1.919 nan 8.310 nan 0.000 0.564 205 A N 1.724 124.546 122.820 0.003 0.000 2.492 205 A HA 0.249 4.569 4.320 -0.000 0.000 0.254 205 A C 0.574 178.160 177.584 0.005 0.000 1.091 205 A CA -0.451 51.588 52.037 0.004 0.000 0.768 205 A CB -0.537 18.465 19.000 0.003 0.000 1.028 205 A HN 0.797 nan 8.150 nan 0.000 0.498 206 N N 2.216 120.919 118.700 0.005 0.000 2.411 206 N HA 0.111 4.851 4.740 -0.000 0.000 0.259 206 N C 0.450 175.965 175.510 0.008 0.000 1.103 206 N CA 0.703 53.757 53.050 0.007 0.000 0.954 206 N CB 0.680 39.172 38.487 0.007 0.000 1.085 206 N HN 0.623 nan 8.380 nan 0.000 0.485 207 T N 1.219 115.778 114.554 0.009 0.000 3.296 207 T HA 0.172 4.521 4.350 -0.000 0.000 0.285 207 T C 0.533 175.241 174.700 0.014 0.000 1.014 207 T CA -0.582 61.524 62.100 0.011 0.000 0.920 207 T CB -0.247 68.627 68.868 0.009 0.000 1.143 207 T HN 0.245 nan 8.240 nan 0.000 0.522 208 L N 2.422 123.654 121.223 0.015 0.000 2.499 208 L HA 0.436 4.776 4.340 -0.000 0.000 0.273 208 L C -0.537 176.350 176.870 0.027 0.000 1.195 208 L CA 0.304 55.155 54.840 0.018 0.000 0.882 208 L CB 0.671 42.739 42.059 0.016 0.000 1.133 208 L HN 0.192 nan 8.230 nan 0.000 0.483 209 V N 7.028 126.960 119.914 0.030 0.000 2.482 209 V HA 0.419 4.539 4.120 -0.000 0.000 0.295 209 V C -0.218 175.900 176.094 0.042 0.000 1.026 209 V CA -0.471 61.855 62.300 0.044 0.000 0.856 209 V CB 1.725 33.574 31.823 0.043 0.000 1.001 209 V HN 0.539 nan 8.190 nan 0.000 0.424 210 I N 4.436 125.040 120.570 0.057 0.000 2.355 210 I HA 0.565 4.735 4.170 -0.000 0.000 0.288 210 I C -0.620 175.515 176.117 0.031 0.000 0.999 210 I CA -0.094 61.226 61.300 0.033 0.000 1.163 210 I CB 1.650 39.666 38.000 0.028 0.000 1.316 210 I HN 0.625 nan 8.210 nan 0.000 0.454 211 D N 5.004 125.399 120.400 -0.008 0.000 2.552 211 D HA 0.452 5.092 4.640 -0.000 0.000 0.239 211 D C -0.876 175.379 176.300 -0.076 0.000 1.139 211 D CA -0.777 53.197 54.000 -0.043 0.000 0.914 211 D CB 2.105 42.914 40.800 0.015 0.000 1.461 211 D HN 0.421 nan 8.370 nan 0.000 0.462 212 R N 2.061 122.496 120.500 -0.108 0.000 2.472 212 R HA 0.458 4.798 4.340 -0.000 0.000 0.294 212 R C -2.609 173.659 176.300 -0.053 0.000 1.243 212 R CA -1.737 54.312 56.100 -0.085 0.000 1.023 212 R CB 1.247 31.484 30.300 -0.106 0.000 1.157 212 R HN 0.242 nan 8.270 nan 0.000 0.530 213 P HA -0.143 nan 4.420 nan 0.000 0.263 213 P C -0.219 177.077 177.300 -0.006 0.000 1.175 213 P CA -0.042 63.052 63.100 -0.011 0.000 0.761 213 P CB 0.455 32.148 31.700 -0.012 0.000 0.794 214 V N 0.860 120.780 119.914 0.010 0.000 2.617 214 V HA 0.339 4.459 4.120 -0.000 0.000 0.304 214 V C 1.406 177.508 176.094 0.015 0.000 1.040 214 V CA 0.317 62.630 62.300 0.021 0.000 1.149 214 V CB -0.636 31.208 31.823 0.036 0.000 0.914 214 V HN 0.991 nan 8.190 nan 0.000 0.487 215 G N 2.284 111.095 108.800 0.018 0.000 2.136 215 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.242 215 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.242 215 G C 0.286 175.185 174.900 -0.002 0.000 0.989 215 G CA 0.723 45.831 45.100 0.013 0.000 0.682 215 G HN 2.227 nan 8.290 nan 0.000 0.522 216 T N -3.156 111.391 114.554 -0.011 0.000 2.883 216 T HA 0.638 4.987 4.350 -0.000 0.000 0.296 216 T C -0.268 174.404 174.700 -0.047 0.000 1.117 216 T CA -0.123 61.958 62.100 -0.031 0.000 1.006 216 T CB 2.106 70.954 68.868 -0.035 0.000 1.191 216 T HN 0.318 nan 8.240 nan 0.000 0.508 217 N N 0.463 119.115 118.700 -0.080 0.000 2.610 217 N HA 0.328 5.068 4.740 -0.000 0.000 0.309 217 N C -1.091 174.343 175.510 -0.127 0.000 1.536 217 N CA -0.308 52.671 53.050 -0.118 0.000 0.954 217 N CB 0.373 38.736 38.487 -0.205 0.000 1.310 217 N HN 0.695 nan 8.380 nan 0.000 0.502 218 T N 1.077 115.579 114.554 -0.086 0.000 2.792 218 T HA 0.391 4.741 4.350 -0.000 0.000 0.280 218 T C -0.081 174.582 174.700 -0.062 0.000 0.990 218 T CA -0.512 61.543 62.100 -0.075 0.000 0.960 218 T CB 1.082 69.915 68.868 -0.059 0.000 0.939 218 T HN 0.009 nan 8.240 nan 0.000 0.439 219 I N 3.401 123.936 120.570 -0.059 0.000 2.281 219 I HA 0.377 4.547 4.170 -0.000 0.000 0.293 219 I C 0.629 176.723 176.117 -0.038 0.000 1.085 219 I CA -0.707 60.563 61.300 -0.050 0.000 1.257 219 I CB -0.004 37.969 38.000 -0.046 0.000 1.430 219 I HN 0.668 nan 8.210 nan 0.000 0.489 220 A N 7.468 130.268 122.820 -0.033 0.000 2.252 220 A HA 0.619 4.939 4.320 -0.000 0.000 0.309 220 A C -0.233 177.344 177.584 -0.011 0.000 1.285 220 A CA -0.413 51.612 52.037 -0.020 0.000 0.900 220 A CB 0.596 19.586 19.000 -0.016 0.000 1.157 220 A HN 0.429 nan 8.150 nan 0.000 0.536 221 V N 3.514 123.423 119.914 -0.008 0.000 2.384 221 V HA 0.678 4.798 4.120 -0.000 0.000 0.287 221 V C 0.506 176.601 176.094 0.003 0.000 1.020 221 V CA 0.055 62.355 62.300 -0.001 0.000 0.850 221 V CB 1.226 33.047 31.823 -0.003 0.000 0.987 221 V HN 1.116 nan 8.190 nan 0.000 0.436 222 T N 0.980 115.539 114.554 0.008 0.000 2.831 222 T HA 0.951 5.301 4.350 -0.000 0.000 0.287 222 T C 0.176 174.882 174.700 0.011 0.000 1.070 222 T CA -0.111 61.994 62.100 0.008 0.000 1.010 222 T CB 1.758 70.632 68.868 0.010 0.000 1.264 222 T HN 1.948 nan 8.240 nan 0.000 0.532 223 G N 0.248 109.053 108.800 0.009 0.000 2.698 223 G HA2 0.220 4.180 3.960 -0.000 0.000 0.225 223 G HA3 0.220 4.180 3.960 -0.000 0.000 0.225 223 G C -0.322 174.583 174.900 0.007 0.000 1.345 223 G CA -0.154 44.952 45.100 0.010 0.000 0.871 223 G HN 1.618 nan 8.290 nan 0.000 0.540 224 S N -1.230 114.474 115.700 0.007 0.000 2.500 224 S HA 0.714 5.184 4.470 -0.000 0.000 0.301 224 S C -0.783 173.820 174.600 0.006 0.000 1.092 224 S CA -0.396 57.808 58.200 0.006 0.000 1.030 224 S CB 1.428 64.631 63.200 0.005 0.000 1.031 224 S HN 1.639 nan 8.310 nan 0.000 0.483 225 L N 5.597 126.823 121.223 0.006 0.000 2.346 225 L HA 0.704 5.044 4.340 -0.000 0.000 0.276 225 L C -2.650 174.223 176.870 0.005 0.000 1.006 225 L CA -1.996 52.847 54.840 0.006 0.000 0.817 225 L CB 1.640 43.703 42.059 0.006 0.000 1.272 225 L HN 0.424 nan 8.230 nan 0.000 0.421 226 P HA 0.132 nan 4.420 nan 0.000 0.267 226 P C -0.037 177.265 177.300 0.003 0.000 1.209 226 P CA 0.078 63.180 63.100 0.004 0.000 0.763 226 P CB 0.956 32.659 31.700 0.004 0.000 0.816 227 A N 4.343 127.165 122.820 0.003 0.000 2.032 227 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 227 A C 1.572 179.158 177.584 0.003 0.000 1.165 227 A CA 2.063 54.102 52.037 0.003 0.000 0.645 227 A CB -0.868 18.133 19.000 0.002 0.000 0.807 227 A HN 0.633 nan 8.150 nan 0.000 0.453 228 D N -0.695 119.707 120.400 0.003 0.000 2.349 228 D HA 0.348 4.988 4.640 -0.000 0.000 0.214 228 D C 0.757 177.059 176.300 0.003 0.000 1.063 228 D CA 0.544 54.546 54.000 0.003 0.000 0.847 228 D CB -0.433 40.368 40.800 0.003 0.000 0.933 228 D HN 0.359 nan 8.370 nan 0.000 0.513 229 A N 0.724 123.546 122.820 0.004 0.000 2.406 229 A HA 0.539 4.859 4.320 -0.000 0.000 0.243 229 A C 0.605 178.191 177.584 0.004 0.000 1.082 229 A CA 0.038 52.077 52.037 0.004 0.000 0.786 229 A CB 0.302 19.305 19.000 0.005 0.000 1.029 229 A HN 0.343 nan 8.150 nan 0.000 0.495 230 A N 1.668 124.491 122.820 0.004 0.000 2.351 230 A HA 0.594 4.914 4.320 -0.000 0.000 0.257 230 A C -2.255 175.331 177.584 0.005 0.000 1.087 230 A CA -1.265 50.775 52.037 0.004 0.000 0.798 230 A CB -0.700 18.303 19.000 0.005 0.000 1.033 230 A HN 0.650 nan 8.150 nan 0.000 0.488 231 P HA 0.213 nan 4.420 nan 0.000 0.266 231 P C -0.734 176.569 177.300 0.004 0.000 1.195 231 P CA 0.049 63.151 63.100 0.004 0.000 0.768 231 P CB 0.535 32.237 31.700 0.004 0.000 0.838 232 V N 3.390 123.306 119.914 0.004 0.000 2.539 232 V HA 0.484 4.604 4.120 -0.000 0.000 0.292 232 V C 0.417 176.511 176.094 0.001 0.000 1.045 232 V CA -0.025 62.278 62.300 0.004 0.000 0.945 232 V CB 1.492 33.320 31.823 0.007 0.000 0.993 232 V HN 0.732 nan 8.190 nan 0.000 0.464 233 T N 1.605 116.158 114.554 -0.001 0.000 2.886 233 T HA 0.891 5.241 4.350 -0.000 0.000 0.292 233 T C -0.663 174.029 174.700 -0.013 0.000 1.012 233 T CA -0.507 61.587 62.100 -0.010 0.000 0.982 233 T CB 1.926 70.789 68.868 -0.008 0.000 1.018 233 T HN 1.154 nan 8.240 nan 0.000 0.451 234 A N 2.793 125.597 122.820 -0.026 0.000 2.572 234 A HA 0.765 5.085 4.320 -0.000 0.000 0.295 234 A C -1.270 176.276 177.584 -0.063 0.000 1.072 234 A CA -1.059 50.964 52.037 -0.023 0.000 0.691 234 A CB 1.360 20.367 19.000 0.013 0.000 1.291 234 A HN 0.912 nan 8.150 nan 0.000 0.404 235 L N 2.241 123.421 121.223 -0.072 0.000 2.264 235 L HA 0.594 4.934 4.340 -0.000 0.000 0.289 235 L C 0.144 176.964 176.870 -0.084 0.000 1.044 235 L CA -0.547 54.223 54.840 -0.118 0.000 0.807 235 L CB 0.887 42.863 42.059 -0.137 0.000 1.192 235 L HN 0.596 nan 8.230 nan 0.000 0.425 236 R N 1.058 121.499 120.500 -0.099 0.000 2.750 236 R HA 0.505 4.844 4.340 -0.000 0.000 0.281 236 R C -0.287 175.961 176.300 -0.088 0.000 0.972 236 R CA -0.684 55.348 56.100 -0.114 0.000 0.912 236 R CB 2.251 32.482 30.300 -0.115 0.000 1.187 236 R HN 0.699 nan 8.270 nan 0.000 0.464 237 T N -1.842 112.657 114.554 -0.091 0.000 2.816 237 T HA 0.544 4.894 4.350 -0.000 0.000 0.282 237 T C 0.665 175.362 174.700 -0.006 0.000 0.993 237 T CA -0.590 61.493 62.100 -0.029 0.000 0.994 237 T CB 0.985 69.849 68.868 -0.007 0.000 1.025 237 T HN 0.397 nan 8.240 nan 0.000 0.529 238 V N -1.907 118.037 119.914 0.050 0.000 3.130 238 V HA 0.689 4.808 4.120 -0.000 0.000 0.310 238 V C -0.943 175.222 176.094 0.118 0.000 1.158 238 V CA -1.317 61.036 62.300 0.089 0.000 1.029 238 V CB 1.703 33.640 31.823 0.190 0.000 1.057 238 V HN 0.984 nan 8.190 nan 0.000 0.436 239 D N 1.334 121.802 120.400 0.114 0.000 2.304 239 D HA 0.352 4.992 4.640 -0.000 0.000 0.250 239 D C -0.222 176.200 176.300 0.203 0.000 1.107 239 D CA 0.623 54.693 54.000 0.117 0.000 0.885 239 D CB 0.512 41.343 40.800 0.052 0.000 1.192 239 D HN 0.812 nan 8.370 nan 0.000 0.436 240 E N 2.302 122.600 120.200 0.164 0.000 2.937 240 E HA -0.143 4.207 4.350 -0.000 0.000 0.152 240 E C -1.992 174.691 176.600 0.137 0.000 1.769 240 E CA 0.050 56.547 56.400 0.160 0.000 0.688 240 E CB -0.685 29.124 29.700 0.181 0.000 1.091 240 E HN 0.492 nan 8.360 nan 0.000 0.362 241 P HA -0.167 nan 4.420 nan 0.000 0.216 241 P C 1.353 178.637 177.300 -0.027 0.000 1.150 241 P CA 2.033 65.155 63.100 0.037 0.000 0.837 241 P CB 0.194 31.933 31.700 0.065 0.000 0.786 242 A N 0.070 122.889 122.820 -0.002 0.000 1.933 242 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 242 A C 2.318 179.860 177.584 -0.070 0.000 1.175 242 A CA 2.110 54.130 52.037 -0.027 0.000 0.628 242 A CB -1.607 17.396 19.000 0.006 0.000 0.814 242 A HN 0.196 nan 8.150 nan 0.000 0.444 243 A N -0.354 122.427 122.820 -0.066 0.000 1.877 243 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 243 A C 2.136 179.444 177.584 -0.460 0.000 1.186 243 A CA 1.786 53.753 52.037 -0.116 0.000 0.620 243 A CB -0.693 18.380 19.000 0.122 0.000 0.822 243 A HN 0.801 nan 8.150 nan 0.000 0.443 244 L N -0.140 120.601 121.223 -0.804 0.000 2.079 244 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 244 L C 2.581 179.263 176.870 -0.313 0.000 1.081 244 L CA 2.236 56.521 54.840 -0.925 0.000 0.752 244 L CB -0.767 40.936 42.059 -0.592 0.000 0.896 244 L HN 0.341 nan 8.230 nan 0.000 0.433 245 A N -0.597 122.113 122.820 -0.184 0.000 1.972 245 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 245 A C 2.317 179.887 177.584 -0.023 0.000 1.169 245 A CA 1.423 53.415 52.037 -0.075 0.000 0.635 245 A CB -1.457 17.499 19.000 -0.073 0.000 0.810 245 A HN 0.541 nan 8.150 nan 0.000 0.446 246 G N -1.406 107.365 108.800 -0.048 0.000 2.403 246 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 246 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 246 G C 1.455 176.388 174.900 0.056 0.000 1.154 246 G CA 1.284 46.398 45.100 0.022 0.000 0.784 246 G HN 0.749 nan 8.290 nan 0.000 0.538 247 H N 0.590 119.602 119.070 -0.096 0.000 2.293 247 H HA 0.089 4.645 4.556 -0.000 0.000 0.300 247 H C 2.522 177.841 175.328 -0.014 0.000 1.082 247 H CA 1.434 57.450 56.048 -0.054 0.000 1.308 247 H CB -0.319 29.391 29.762 -0.088 0.000 1.375 247 H HN 0.221 nan 8.280 nan 0.000 0.495 248 L N -0.842 120.404 121.223 0.039 0.000 2.079 248 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 248 L C 2.189 179.084 176.870 0.042 0.000 1.081 248 L CA 1.234 56.085 54.840 0.019 0.000 0.752 248 L CB -0.489 41.610 42.059 0.067 0.000 0.896 248 L HN 0.306 nan 8.230 nan 0.000 0.433 249 F N 0.736 120.631 119.950 -0.092 0.000 2.234 249 F HA -0.140 4.387 4.527 -0.000 0.000 0.296 249 F C 2.522 178.267 175.800 -0.092 0.000 1.089 249 F CA 1.400 59.355 58.000 -0.076 0.000 1.343 249 F CB -0.200 38.767 39.000 -0.055 0.000 1.040 249 F HN 0.100 nan 8.300 nan 0.000 0.498 250 E N 0.351 120.466 120.200 -0.142 0.000 2.051 250 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 250 E C 1.974 178.410 176.600 -0.273 0.000 0.991 250 E CA 1.749 58.002 56.400 -0.245 0.000 0.799 250 E CB -0.216 29.377 29.700 -0.178 0.000 0.748 250 E HN 0.570 nan 8.360 nan 0.000 0.449 251 E N 0.284 120.321 120.200 -0.271 0.000 2.077 251 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 251 E C 2.079 178.573 176.600 -0.175 0.000 0.989 251 E CA 0.940 57.206 56.400 -0.224 0.000 0.800 251 E CB -0.176 29.383 29.700 -0.234 0.000 0.746 251 E HN 0.358 nan 8.360 nan 0.000 0.452 252 A N 1.350 124.065 122.820 -0.174 0.000 1.883 252 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 252 A C 2.225 179.677 177.584 -0.219 0.000 1.186 252 A CA 1.208 53.156 52.037 -0.149 0.000 0.624 252 A CB -0.729 18.225 19.000 -0.077 0.000 0.822 252 A HN 0.122 nan 8.150 nan 0.000 0.444 253 L N -1.107 119.889 121.223 -0.378 0.000 1.989 253 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 253 L C 2.609 179.358 176.870 -0.201 0.000 1.071 253 L CA 1.809 56.441 54.840 -0.346 0.000 0.749 253 L CB -0.585 41.200 42.059 -0.457 0.000 0.890 253 L HN 0.386 nan 8.230 nan 0.000 0.431 254 E N -0.147 119.943 120.200 -0.184 0.000 2.333 254 E HA -0.173 4.177 4.350 -0.000 0.000 0.200 254 E C 1.804 178.347 176.600 -0.096 0.000 1.010 254 E CA 1.009 57.334 56.400 -0.124 0.000 0.841 254 E CB 0.032 29.662 29.700 -0.118 0.000 0.757 254 E HN 0.250 nan 8.360 nan 0.000 0.508 255 S N -0.568 115.071 115.700 -0.101 0.000 2.540 255 S HA 0.198 4.668 4.470 -0.000 0.000 0.218 255 S C 0.737 175.299 174.600 -0.062 0.000 0.977 255 S CA -0.301 57.857 58.200 -0.070 0.000 0.918 255 S CB 0.230 63.393 63.200 -0.061 0.000 0.806 255 S HN 0.247 nan 8.310 nan 0.000 0.496 256 N N 0.936 119.591 118.700 -0.076 0.000 2.159 256 N HA 0.180 4.920 4.740 -0.000 0.000 0.217 256 N C 0.547 176.024 175.510 -0.054 0.000 1.223 256 N CA 0.478 53.493 53.050 -0.059 0.000 0.896 256 N CB 1.346 39.794 38.487 -0.065 0.000 1.064 256 N HN 0.399 nan 8.380 nan 0.000 0.518 257 G N 0.884 109.647 108.800 -0.061 0.000 2.370 257 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.268 257 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.268 257 G C -0.586 174.281 174.900 -0.055 0.000 1.122 257 G CA -0.157 44.913 45.100 -0.050 0.000 0.963 257 G HN 0.105 nan 8.290 nan 0.000 0.500 258 V N 1.040 120.908 119.914 -0.077 0.000 2.538 258 V HA 0.328 4.448 4.120 -0.000 0.000 0.265 258 V C 0.779 176.821 176.094 -0.087 0.000 0.977 258 V CA -0.254 61.998 62.300 -0.080 0.000 0.852 258 V CB 1.136 32.894 31.823 -0.108 0.000 1.058 258 V HN 0.505 nan 8.190 nan 0.000 0.462 259 T N 3.135 117.653 114.554 -0.060 0.000 2.940 259 T HA 0.310 4.660 4.350 -0.000 0.000 0.309 259 T C 0.109 174.778 174.700 -0.051 0.000 1.056 259 T CA 0.235 62.302 62.100 -0.054 0.000 1.137 259 T CB 1.257 70.104 68.868 -0.035 0.000 0.976 259 T HN 0.320 nan 8.240 nan 0.000 0.547 260 V N 4.779 124.661 119.914 -0.054 0.000 2.407 260 V HA 0.289 4.409 4.120 -0.000 0.000 0.291 260 V C 0.819 176.895 176.094 -0.029 0.000 1.018 260 V CA -0.684 61.589 62.300 -0.045 0.000 0.842 260 V CB 1.641 33.423 31.823 -0.068 0.000 0.996 260 V HN 0.770 nan 8.190 nan 0.000 0.426 261 K N 2.699 123.091 120.400 -0.013 0.000 2.242 261 K HA 0.220 4.540 4.320 -0.000 0.000 0.200 261 K C 1.284 177.883 176.600 -0.003 0.000 1.050 261 K CA 0.734 57.018 56.287 -0.005 0.000 0.981 261 K CB 0.436 32.939 32.500 0.004 0.000 0.795 261 K HN 0.754 nan 8.250 nan 0.000 0.477 262 G N 1.194 109.994 108.800 0.000 0.000 2.468 262 G HA2 0.059 4.019 3.960 -0.000 0.000 0.264 262 G HA3 0.059 4.019 3.960 -0.000 0.000 0.264 262 G C -0.157 174.724 174.900 -0.033 0.000 1.460 262 G CA -0.237 44.860 45.100 -0.004 0.000 1.060 262 G HN 0.026 nan 8.290 nan 0.000 0.543 263 D N -2.012 118.348 120.400 -0.067 0.000 2.621 263 D HA 0.543 5.183 4.640 -0.000 0.000 0.255 263 D C -0.562 175.636 176.300 -0.170 0.000 1.122 263 D CA -0.209 53.738 54.000 -0.088 0.000 1.096 263 D CB 2.006 42.762 40.800 -0.073 0.000 1.282 263 D HN 0.090 nan 8.370 nan 0.000 0.619 264 V N -0.199 119.630 119.914 -0.143 0.000 2.495 264 V HA 0.826 4.946 4.120 -0.000 0.000 0.298 264 V C 0.561 176.539 176.094 -0.194 0.000 1.031 264 V CA -0.401 61.788 62.300 -0.186 0.000 0.871 264 V CB 1.421 33.209 31.823 -0.058 0.000 0.988 264 V HN 0.753 nan 8.190 nan 0.000 0.432 265 G N 3.023 111.630 108.800 -0.322 0.000 2.619 265 G HA2 0.647 4.607 3.960 -0.000 0.000 0.305 265 G HA3 0.647 4.607 3.960 -0.000 0.000 0.305 265 G C -1.782 173.032 174.900 -0.143 0.000 1.330 265 G CA -0.905 44.077 45.100 -0.197 0.000 0.789 265 G HN 0.573 nan 8.290 nan 0.000 0.487 266 L N 0.328 121.556 121.223 0.008 0.000 2.307 266 L HA 0.766 5.106 4.340 -0.000 0.000 0.282 266 L C 0.576 177.587 176.870 0.235 0.000 1.051 266 L CA -0.386 54.512 54.840 0.097 0.000 0.804 266 L CB 1.621 43.730 42.059 0.084 0.000 1.197 266 L HN 0.915 nan 8.230 nan 0.000 0.431 267 G N 1.140 110.105 108.800 0.275 0.000 2.658 267 G HA2 0.490 4.450 3.960 -0.000 0.000 0.301 267 G HA3 0.490 4.450 3.960 -0.000 0.000 0.301 267 G C -0.971 174.072 174.900 0.238 0.000 1.481 267 G CA -0.376 44.872 45.100 0.247 0.000 0.931 267 G HN 0.774 nan 8.290 nan 0.000 0.573 268 G N -0.413 108.470 108.800 0.137 0.000 2.477 268 G HA2 0.598 4.558 3.960 -0.000 0.000 0.304 268 G HA3 0.598 4.558 3.960 -0.000 0.000 0.304 268 G C 0.355 175.190 174.900 -0.109 0.000 1.175 268 G CA -0.499 44.646 45.100 0.074 0.000 0.907 268 G HN 1.173 nan 8.290 nan 0.000 0.509 269 V N 1.968 121.669 119.914 -0.355 0.000 2.752 269 V HA -0.038 4.082 4.120 -0.000 0.000 0.306 269 V C -0.855 174.797 176.094 -0.736 0.000 1.099 269 V CA -0.240 61.541 62.300 -0.865 0.000 1.240 269 V CB 0.996 32.493 31.823 -0.544 0.000 0.887 269 V HN 0.641 nan 8.190 nan 0.000 0.499 270 P HA -0.184 nan 4.420 nan 0.000 0.220 270 P C 1.213 178.273 177.300 -0.401 0.000 1.144 270 P CA 1.762 64.400 63.100 -0.771 0.000 0.800 270 P CB 0.053 31.006 31.700 -1.244 0.000 0.772 271 A N -0.156 122.460 122.820 -0.339 0.000 2.624 271 A HA -0.297 4.023 4.320 -0.000 0.000 0.235 271 A C 1.533 179.107 177.584 -0.018 0.000 0.588 271 A CA 1.799 53.760 52.037 -0.128 0.000 1.172 271 A CB -2.612 16.331 19.000 -0.095 0.000 1.370 271 A HN 0.459 nan 8.150 nan 0.000 0.695 272 D N -1.586 118.823 120.400 0.015 0.000 2.338 272 D HA 0.098 4.738 4.640 -0.000 0.000 0.239 272 D C -0.134 176.348 176.300 0.303 0.000 1.095 272 D CA 0.239 54.316 54.000 0.128 0.000 0.888 272 D CB -0.386 40.488 40.800 0.124 0.000 0.899 272 D HN 0.608 nan 8.370 nan 0.000 0.525 273 W N 1.428 122.686 121.300 -0.070 0.000 2.314 273 W HA 0.385 5.045 4.660 -0.000 0.000 0.310 273 W C 1.215 177.699 176.519 -0.059 0.000 1.075 273 W CA -0.887 56.415 57.345 -0.073 0.000 1.253 273 W CB 1.249 30.640 29.460 -0.116 0.000 1.238 273 W HN -0.051 nan 8.180 nan 0.000 0.440 274 Q N 0.778 120.653 119.800 0.125 0.000 2.442 274 Q HA -0.012 4.328 4.340 -0.000 0.000 0.228 274 Q C 0.058 176.078 176.000 0.033 0.000 0.902 274 Q CA 0.542 56.383 55.803 0.063 0.000 0.933 274 Q CB 0.461 29.219 28.738 0.033 0.000 1.071 274 Q HN 0.258 nan 8.270 nan 0.000 0.562 275 D N 1.619 122.017 120.400 -0.004 0.000 3.038 275 D HA 0.187 4.826 4.640 -0.000 0.000 0.243 275 D C -0.629 175.661 176.300 -0.017 0.000 1.245 275 D CA -0.034 53.951 54.000 -0.026 0.000 0.871 275 D CB -0.122 40.640 40.800 -0.063 0.000 1.089 275 D HN 0.171 nan 8.370 nan 0.000 0.464 276 A N 1.149 123.994 122.820 0.042 0.000 2.558 276 A HA -0.074 4.246 4.320 -0.000 0.000 0.262 276 A C 0.629 178.237 177.584 0.042 0.000 1.049 276 A CA 0.310 52.398 52.037 0.086 0.000 0.804 276 A CB -0.138 18.915 19.000 0.090 0.000 0.957 276 A HN 0.141 nan 8.150 nan 0.000 0.520 277 E N 2.741 122.964 120.200 0.038 0.000 2.014 277 E HA 0.397 4.747 4.350 -0.000 0.000 0.275 277 E C -0.738 175.893 176.600 0.051 0.000 0.997 277 E CA -0.293 56.120 56.400 0.023 0.000 0.804 277 E CB 0.668 30.364 29.700 -0.006 0.000 1.090 277 E HN 0.345 nan 8.360 nan 0.000 0.401 278 V N 7.755 127.690 119.914 0.035 0.000 2.326 278 V HA 0.027 4.147 4.120 -0.000 0.000 0.249 278 V C 1.376 177.492 176.094 0.037 0.000 1.114 278 V CA 0.128 62.449 62.300 0.035 0.000 1.028 278 V CB -0.378 31.451 31.823 0.010 0.000 1.170 278 V HN 0.804 nan 8.190 nan 0.000 0.494 279 L N 3.395 124.654 121.223 0.060 0.000 1.925 279 L HA 0.100 4.440 4.340 -0.000 0.000 0.214 279 L C 1.465 178.370 176.870 0.059 0.000 1.091 279 L CA 1.726 56.604 54.840 0.064 0.000 0.768 279 L CB -0.296 41.819 42.059 0.094 0.000 0.887 279 L HN 0.669 nan 8.230 nan 0.000 0.433 280 A N -0.505 122.362 122.820 0.077 0.000 2.288 280 A HA 0.580 4.900 4.320 -0.000 0.000 0.328 280 A C -1.225 176.381 177.584 0.036 0.000 1.123 280 A CA -0.364 51.714 52.037 0.069 0.000 0.861 280 A CB 0.964 20.032 19.000 0.113 0.000 1.272 280 A HN 0.528 nan 8.150 nan 0.000 0.490 281 D N -1.120 119.301 120.400 0.035 0.000 2.710 281 D HA 0.429 5.069 4.640 -0.000 0.000 0.276 281 D C -1.456 174.892 176.300 0.080 0.000 1.267 281 D CA -0.316 53.695 54.000 0.018 0.000 0.772 281 D CB 0.996 41.787 40.800 -0.015 0.000 1.299 281 D HN 0.639 nan 8.370 nan 0.000 0.421 282 H N -1.192 117.838 119.070 -0.068 0.000 2.974 282 H HA 0.602 5.158 4.556 -0.000 0.000 0.366 282 H C -1.468 173.819 175.328 -0.069 0.000 1.155 282 H CA -0.049 55.964 56.048 -0.057 0.000 1.186 282 H CB 2.249 31.979 29.762 -0.053 0.000 1.799 282 H HN 0.376 nan 8.280 nan 0.000 0.541 283 T N 3.007 117.152 114.554 -0.682 0.000 2.856 283 T HA 0.437 4.787 4.350 -0.000 0.000 0.283 283 T C -0.075 174.219 174.700 -0.676 0.000 1.008 283 T CA -0.514 61.291 62.100 -0.492 0.000 0.997 283 T CB 1.126 69.810 68.868 -0.306 0.000 0.992 283 T HN 0.714 nan 8.240 nan 0.000 0.454 284 S N 1.954 117.461 115.700 -0.322 0.000 2.646 284 S HA 0.813 5.283 4.470 -0.000 0.000 0.273 284 S C 0.450 174.977 174.600 -0.123 0.000 1.168 284 S CA -0.776 57.324 58.200 -0.168 0.000 1.013 284 S CB 0.518 63.720 63.200 0.004 0.000 1.098 284 S HN 0.931 nan 8.310 nan 0.000 0.544 285 A N -0.020 122.768 122.820 -0.054 0.000 2.272 285 A HA 0.479 4.799 4.320 -0.000 0.000 0.275 285 A C 0.202 177.779 177.584 -0.013 0.000 1.096 285 A CA -0.705 51.315 52.037 -0.029 0.000 0.822 285 A CB -0.321 18.683 19.000 0.006 0.000 1.088 285 A HN 0.877 nan 8.150 nan 0.000 0.495 286 E N -0.422 119.772 120.200 -0.010 0.000 2.404 286 E HA 0.053 4.403 4.350 -0.000 0.000 0.261 286 E C 0.786 177.424 176.600 0.064 0.000 1.074 286 E CA -0.394 56.004 56.400 -0.004 0.000 0.917 286 E CB 0.420 30.121 29.700 0.002 0.000 0.965 286 E HN 0.575 nan 8.360 nan 0.000 0.433 287 L N 2.996 124.273 121.223 0.090 0.000 2.197 287 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 287 L C 2.013 178.969 176.870 0.142 0.000 1.095 287 L CA 2.282 57.218 54.840 0.160 0.000 0.764 287 L CB -0.698 41.455 42.059 0.157 0.000 0.897 287 L HN 0.621 nan 8.230 nan 0.000 0.436 288 S N -1.900 113.872 115.700 0.120 0.000 2.423 288 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 288 S C 1.636 176.319 174.600 0.139 0.000 1.014 288 S CA 0.844 59.124 58.200 0.133 0.000 0.965 288 S CB -0.376 62.898 63.200 0.124 0.000 0.785 288 S HN 0.556 nan 8.310 nan 0.000 0.495 289 E N 1.365 121.641 120.200 0.126 0.000 2.166 289 E HA 0.271 4.620 4.350 -0.000 0.000 0.192 289 E C 2.028 178.730 176.600 0.170 0.000 0.967 289 E CA 0.314 56.799 56.400 0.140 0.000 0.840 289 E CB -0.462 29.305 29.700 0.111 0.000 0.795 289 E HN 0.537 nan 8.360 nan 0.000 0.470 290 I N 1.203 121.851 120.570 0.130 0.000 2.361 290 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 290 I C 2.218 178.469 176.117 0.222 0.000 1.133 290 I CA 0.556 61.914 61.300 0.097 0.000 1.413 290 I CB -0.072 37.935 38.000 0.013 0.000 1.073 290 I HN 0.081 nan 8.210 nan 0.000 0.424 291 L N 0.382 121.749 121.223 0.241 0.000 2.261 291 L HA -0.186 4.154 4.340 -0.000 0.000 0.216 291 L C 2.420 179.442 176.870 0.254 0.000 1.114 291 L CA 1.554 56.583 54.840 0.315 0.000 0.777 291 L CB -0.529 41.669 42.059 0.232 0.000 0.910 291 L HN 0.132 nan 8.230 nan 0.000 0.440 292 V N 1.282 121.331 119.914 0.226 0.000 2.239 292 V HA -0.128 3.992 4.120 -0.000 0.000 0.242 292 V C -0.280 175.905 176.094 0.151 0.000 1.038 292 V CA 1.824 64.221 62.300 0.163 0.000 1.002 292 V CB -1.743 30.222 31.823 0.237 0.000 0.641 292 V HN 0.316 nan 8.190 nan 0.000 0.449 293 P HA -0.187 nan 4.420 nan 0.000 0.225 293 P C 1.664 179.244 177.300 0.467 0.000 1.148 293 P CA 1.519 64.878 63.100 0.431 0.000 0.779 293 P CB -0.124 32.027 31.700 0.752 0.000 0.780 294 F N 0.656 120.780 119.950 0.290 0.000 2.053 294 F HA -0.133 4.394 4.527 -0.000 0.000 0.292 294 F C 2.147 177.990 175.800 0.072 0.000 1.125 294 F CA 1.081 59.249 58.000 0.280 0.000 1.193 294 F CB -0.205 38.969 39.000 0.291 0.000 0.996 294 F HN -0.290 nan 8.300 nan 0.000 0.470 295 M N 0.347 119.772 119.600 -0.293 0.000 2.334 295 M HA -0.070 4.410 4.480 -0.000 0.000 0.266 295 M C 1.845 177.915 176.300 -0.384 0.000 1.082 295 M CA 0.979 55.965 55.300 -0.524 0.000 1.141 295 M CB -0.968 31.314 32.600 -0.529 0.000 1.380 295 M HN 0.087 nan 8.290 nan 0.000 0.440 296 K N 0.388 120.537 120.400 -0.419 0.000 2.032 296 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 296 K C 1.572 177.745 176.600 -0.711 0.000 1.048 296 K CA 1.457 57.338 56.287 -0.677 0.000 0.927 296 K CB -0.388 31.456 32.500 -1.094 0.000 0.712 296 K HN 0.310 nan 8.250 nan 0.000 0.441 297 F N 0.309 120.165 119.950 -0.157 0.000 2.695 297 F HA 0.226 4.753 4.527 -0.000 0.000 0.303 297 F C 0.705 176.456 175.800 -0.082 0.000 1.091 297 F CA -0.486 57.438 58.000 -0.127 0.000 1.300 297 F CB -0.052 38.861 39.000 -0.145 0.000 1.071 297 F HN -0.207 nan 8.300 nan 0.000 0.578 298 S N 1.365 117.064 115.700 -0.002 0.000 3.608 298 S HA -0.313 4.157 4.470 -0.000 0.000 0.382 298 S C 0.163 174.826 174.600 0.106 0.000 0.945 298 S CA 0.120 58.311 58.200 -0.015 0.000 1.256 298 S CB -1.897 61.288 63.200 -0.026 0.000 0.913 298 S HN 0.610 nan 8.310 nan 0.000 0.518 299 N N 1.591 120.402 118.700 0.186 0.000 2.416 299 N HA 0.231 4.971 4.740 -0.000 0.000 0.265 299 N C 1.239 176.867 175.510 0.196 0.000 1.195 299 N CA -0.279 52.824 53.050 0.089 0.000 0.943 299 N CB 0.398 38.732 38.487 -0.256 0.000 1.115 299 N HN 0.381 nan 8.380 nan 0.000 0.481 300 N N 2.821 121.602 118.700 0.136 0.000 2.188 300 N HA -0.096 4.643 4.740 -0.000 0.000 0.184 300 N C 1.721 177.364 175.510 0.221 0.000 1.018 300 N CA 1.048 54.209 53.050 0.184 0.000 0.858 300 N CB -0.434 38.106 38.487 0.088 0.000 0.989 300 N HN 0.687 nan 8.380 nan 0.000 0.426 301 G N 1.315 110.208 108.800 0.155 0.000 2.421 301 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 301 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 301 G C 1.240 176.262 174.900 0.202 0.000 1.171 301 G CA 0.898 46.119 45.100 0.203 0.000 0.775 301 G HN 0.335 nan 8.290 nan 0.000 0.543 302 H N 1.186 120.244 119.070 -0.020 0.000 2.319 302 H HA -0.024 4.532 4.556 -0.000 0.000 0.297 302 H C 2.911 178.005 175.328 -0.389 0.000 1.097 302 H CA 1.140 57.008 56.048 -0.300 0.000 1.285 302 H CB -0.986 28.428 29.762 -0.579 0.000 1.368 302 H HN 0.368 nan 8.280 nan 0.000 0.495 303 A N 1.505 124.272 122.820 -0.088 0.000 1.873 303 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 303 A C 2.286 179.967 177.584 0.162 0.000 1.193 303 A CA 2.087 54.197 52.037 0.122 0.000 0.629 303 A CB -0.244 19.020 19.000 0.441 0.000 0.826 303 A HN 0.364 nan 8.150 nan 0.000 0.447 304 E N -0.400 119.952 120.200 0.253 0.000 2.106 304 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 304 E C 2.070 178.647 176.600 -0.039 0.000 0.984 304 E CA 1.152 57.728 56.400 0.294 0.000 0.806 304 E CB -0.507 29.533 29.700 0.566 0.000 0.750 304 E HN 0.746 nan 8.360 nan 0.000 0.458 305 M N 0.210 119.804 119.600 -0.010 0.000 2.229 305 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 305 M C 2.330 178.582 176.300 -0.080 0.000 1.063 305 M CA 1.053 56.337 55.300 -0.027 0.000 1.114 305 M CB -0.244 32.412 32.600 0.092 0.000 1.387 305 M HN 0.049 nan 8.290 nan 0.000 0.420 306 L N -0.759 120.410 121.223 -0.090 0.000 2.027 306 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 306 L C 2.449 179.291 176.870 -0.046 0.000 1.074 306 L CA 0.796 55.610 54.840 -0.044 0.000 0.745 306 L CB -0.698 41.321 42.059 -0.067 0.000 0.898 306 L HN 0.091 nan 8.230 nan 0.000 0.433 307 V N 0.179 120.059 119.914 -0.057 0.000 2.252 307 V HA -0.366 3.754 4.120 -0.000 0.000 0.249 307 V C 2.458 178.407 176.094 -0.241 0.000 1.056 307 V CA 2.023 64.282 62.300 -0.068 0.000 1.022 307 V CB -0.633 31.212 31.823 0.036 0.000 0.641 307 V HN 0.436 nan 8.190 nan 0.000 0.445 308 K N -0.202 119.878 120.400 -0.534 0.000 2.209 308 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 308 K C 2.409 178.708 176.600 -0.501 0.000 1.048 308 K CA 1.532 57.310 56.287 -0.848 0.000 0.940 308 K CB -0.263 31.141 32.500 -1.828 0.000 0.729 308 K HN 0.384 nan 8.250 nan 0.000 0.451 309 S N 1.244 116.855 115.700 -0.147 0.000 2.371 309 S HA -0.023 4.447 4.470 -0.000 0.000 0.224 309 S C 1.895 176.529 174.600 0.057 0.000 1.029 309 S CA 0.781 59.117 58.200 0.225 0.000 0.978 309 S CB -0.095 63.353 63.200 0.413 0.000 0.833 309 S HN 0.210 nan 8.310 nan 0.000 0.466 310 I N 1.346 121.905 120.570 -0.017 0.000 2.361 310 I HA -0.158 4.012 4.170 -0.000 0.000 0.251 310 I C 2.528 178.608 176.117 -0.062 0.000 1.133 310 I CA 1.140 62.421 61.300 -0.033 0.000 1.413 310 I CB -0.652 37.335 38.000 -0.021 0.000 1.073 310 I HN 0.366 nan 8.210 nan 0.000 0.424 311 G N -0.461 108.267 108.800 -0.121 0.000 2.421 311 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 311 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 311 G C 1.611 176.418 174.900 -0.156 0.000 1.143 311 G CA 0.133 45.146 45.100 -0.146 0.000 0.784 311 G HN 0.255 nan 8.290 nan 0.000 0.541 312 Q N -0.081 119.609 119.800 -0.182 0.000 2.123 312 Q HA -0.041 4.298 4.340 -0.000 0.000 0.199 312 Q C 2.402 178.335 176.000 -0.112 0.000 0.966 312 Q CA 1.278 56.928 55.803 -0.254 0.000 0.845 312 Q CB 0.019 28.470 28.738 -0.480 0.000 0.907 312 Q HN 0.554 nan 8.270 nan 0.000 0.439 313 E N -0.017 120.167 120.200 -0.026 0.000 2.107 313 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 313 E C 1.704 178.301 176.600 -0.006 0.000 0.982 313 E CA 1.795 58.204 56.400 0.015 0.000 0.809 313 E CB -0.021 29.686 29.700 0.011 0.000 0.756 313 E HN 0.356 nan 8.360 nan 0.000 0.459 314 T N -3.397 111.142 114.554 -0.026 0.000 3.065 314 T HA 0.407 4.757 4.350 -0.000 0.000 0.252 314 T C 1.181 175.865 174.700 -0.028 0.000 1.099 314 T CA 0.445 62.533 62.100 -0.020 0.000 1.063 314 T CB 0.587 69.445 68.868 -0.017 0.000 0.948 314 T HN 0.136 nan 8.240 nan 0.000 0.506 315 A N -0.114 122.677 122.820 -0.048 0.000 2.733 315 A HA 0.686 5.006 4.320 -0.000 0.000 0.232 315 A C 1.469 179.011 177.584 -0.070 0.000 1.251 315 A CA 0.296 52.302 52.037 -0.051 0.000 1.015 315 A CB -0.309 18.660 19.000 -0.053 0.000 1.291 315 A HN 1.276 nan 8.150 nan 0.000 0.595 316 G N -0.426 108.318 108.800 -0.093 0.000 2.249 316 G HA2 0.196 4.156 3.960 -0.000 0.000 0.273 316 G HA3 0.196 4.156 3.960 -0.000 0.000 0.273 316 G C 0.261 175.058 174.900 -0.172 0.000 1.036 316 G CA 0.522 45.544 45.100 -0.129 0.000 0.824 316 G HN 2.006 nan 8.290 nan 0.000 0.504 317 A N -0.377 122.329 122.820 -0.190 0.000 2.499 317 A HA 0.775 5.095 4.320 -0.000 0.000 0.280 317 A C 0.507 177.942 177.584 -0.249 0.000 1.135 317 A CA 0.445 52.367 52.037 -0.192 0.000 0.744 317 A CB 1.190 20.112 19.000 -0.129 0.000 1.213 317 A HN 1.712 nan 8.150 nan 0.000 0.434 318 G N 2.615 111.235 108.800 -0.299 0.000 3.101 318 G HA2 0.454 4.414 3.960 -0.000 0.000 0.272 318 G HA3 0.454 4.414 3.960 -0.000 0.000 0.272 318 G C 0.311 174.958 174.900 -0.421 0.000 0.801 318 G CA 0.657 45.541 45.100 -0.361 0.000 1.978 318 G HN 1.148 nan 8.290 nan 0.000 0.591 319 T N -3.075 111.247 114.554 -0.386 0.000 2.901 319 T HA 0.360 4.710 4.350 -0.000 0.000 0.293 319 T C 0.604 175.104 174.700 -0.334 0.000 1.084 319 T CA -0.938 60.952 62.100 -0.351 0.000 1.008 319 T CB 1.695 70.465 68.868 -0.163 0.000 1.170 319 T HN 0.197 nan 8.240 nan 0.000 0.509 320 W N 0.881 122.069 121.300 -0.186 0.000 2.379 320 W HA -0.025 4.635 4.660 -0.000 0.000 0.307 320 W C 1.493 177.939 176.519 -0.122 0.000 1.200 320 W CA 1.452 58.699 57.345 -0.163 0.000 1.297 320 W CB -0.655 28.704 29.460 -0.168 0.000 1.140 320 W HN 0.787 nan 8.180 nan 0.000 0.507 321 D N -0.247 120.222 120.400 0.114 0.000 2.117 321 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 321 D C 2.216 178.520 176.300 0.006 0.000 0.987 321 D CA 1.916 55.944 54.000 0.047 0.000 0.829 321 D CB -0.746 40.067 40.800 0.023 0.000 0.961 321 D HN 0.033 nan 8.370 nan 0.000 0.460 322 A N 0.667 123.467 122.820 -0.033 0.000 1.929 322 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 322 A C 2.364 179.915 177.584 -0.055 0.000 1.176 322 A CA 1.818 53.822 52.037 -0.055 0.000 0.628 322 A CB -0.906 18.038 19.000 -0.093 0.000 0.816 322 A HN 0.295 nan 8.150 nan 0.000 0.444 323 G N -0.436 108.319 108.800 -0.076 0.000 2.408 323 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.217 323 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.217 323 G C 1.341 176.248 174.900 0.010 0.000 1.150 323 G CA 1.006 46.067 45.100 -0.065 0.000 0.776 323 G HN 0.324 nan 8.290 nan 0.000 0.542 324 L N 0.593 121.845 121.223 0.048 0.000 2.109 324 L HA 0.064 4.404 4.340 -0.000 0.000 0.207 324 L C 3.081 179.969 176.870 0.030 0.000 1.086 324 L CA 0.734 55.609 54.840 0.058 0.000 0.760 324 L CB -0.793 41.305 42.059 0.064 0.000 0.910 324 L HN 0.098 nan 8.230 nan 0.000 0.437 325 V N -0.345 119.578 119.914 0.015 0.000 2.343 325 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 325 V C 2.567 178.668 176.094 0.012 0.000 1.051 325 V CA 1.765 64.070 62.300 0.008 0.000 1.036 325 V CB -1.284 30.539 31.823 -0.001 0.000 0.654 325 V HN 0.549 nan 8.190 nan 0.000 0.451 326 G N -0.355 108.448 108.800 0.006 0.000 2.440 326 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 326 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 326 G C 1.704 176.621 174.900 0.028 0.000 1.154 326 G CA 1.241 46.346 45.100 0.009 0.000 0.767 326 G HN 0.365 nan 8.290 nan 0.000 0.552 327 V N 0.739 120.678 119.914 0.041 0.000 2.287 327 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 327 V C 2.777 178.917 176.094 0.076 0.000 1.053 327 V CA 2.165 64.507 62.300 0.071 0.000 1.027 327 V CB -0.236 31.644 31.823 0.094 0.000 0.646 327 V HN 0.434 nan 8.190 nan 0.000 0.447 328 E N 0.252 120.484 120.200 0.053 0.000 2.110 328 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 328 E C 2.147 178.777 176.600 0.049 0.000 0.988 328 E CA 1.664 58.091 56.400 0.045 0.000 0.804 328 E CB -0.051 29.660 29.700 0.019 0.000 0.745 328 E HN 0.722 nan 8.360 nan 0.000 0.458 329 E N -0.053 120.171 120.200 0.040 0.000 2.106 329 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 329 E C 2.047 178.678 176.600 0.051 0.000 0.984 329 E CA 0.822 57.245 56.400 0.038 0.000 0.806 329 E CB -0.099 29.617 29.700 0.027 0.000 0.750 329 E HN 0.302 nan 8.360 nan 0.000 0.458 330 A N 1.396 124.251 122.820 0.058 0.000 1.883 330 A HA -0.196 4.123 4.320 -0.000 0.000 0.217 330 A C 2.200 179.839 177.584 0.092 0.000 1.186 330 A CA 1.163 53.242 52.037 0.071 0.000 0.624 330 A CB -0.782 18.259 19.000 0.068 0.000 0.822 330 A HN 0.131 nan 8.150 nan 0.000 0.444 331 L N -0.556 120.733 121.223 0.110 0.000 1.990 331 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 331 L C 2.911 179.842 176.870 0.102 0.000 1.072 331 L CA 1.798 56.719 54.840 0.136 0.000 0.755 331 L CB -0.618 41.551 42.059 0.185 0.000 0.889 331 L HN 0.342 nan 8.230 nan 0.000 0.432 332 S N -0.189 115.558 115.700 0.078 0.000 2.382 332 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 332 S C 1.947 176.577 174.600 0.050 0.000 1.027 332 S CA 1.167 59.401 58.200 0.058 0.000 0.991 332 S CB -0.508 62.717 63.200 0.043 0.000 0.823 332 S HN 0.632 nan 8.310 nan 0.000 0.469 333 G N 0.862 109.693 108.800 0.053 0.000 2.443 333 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.219 333 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.219 333 G C 1.147 176.077 174.900 0.050 0.000 1.131 333 G CA 0.385 45.513 45.100 0.047 0.000 0.775 333 G HN 0.451 nan 8.290 nan 0.000 0.547 334 L N 0.745 122.008 121.223 0.067 0.000 2.599 334 L HA 0.376 4.716 4.340 -0.000 0.000 0.230 334 L C 1.770 178.658 176.870 0.031 0.000 1.141 334 L CA 0.929 55.807 54.840 0.064 0.000 0.877 334 L CB -0.229 41.898 42.059 0.113 0.000 1.009 334 L HN 0.356 nan 8.230 nan 0.000 0.447 335 G N -0.878 107.942 108.800 0.033 0.000 2.136 335 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.242 335 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.242 335 G C 0.046 174.967 174.900 0.035 0.000 0.989 335 G CA 0.167 45.281 45.100 0.023 0.000 0.682 335 G HN 0.220 nan 8.290 nan 0.000 0.522 336 V N 0.605 120.554 119.914 0.058 0.000 2.427 336 V HA 0.502 4.622 4.120 -0.000 0.000 0.286 336 V C 0.244 176.385 176.094 0.079 0.000 1.034 336 V CA -0.534 61.815 62.300 0.081 0.000 0.893 336 V CB 1.848 33.749 31.823 0.130 0.000 0.982 336 V HN 0.357 nan 8.190 nan 0.000 0.452 337 D N 3.068 123.511 120.400 0.071 0.000 2.338 337 D HA 0.116 4.756 4.640 -0.000 0.000 0.255 337 D C 1.123 177.459 176.300 0.061 0.000 1.237 337 D CA 0.046 54.079 54.000 0.055 0.000 0.883 337 D CB 1.239 42.066 40.800 0.044 0.000 1.087 337 D HN 0.726 nan 8.370 nan 0.000 0.485 338 T N 1.197 115.778 114.554 0.045 0.000 3.278 338 T HA 0.371 4.721 4.350 -0.000 0.000 0.251 338 T C 1.485 176.182 174.700 -0.006 0.000 1.039 338 T CA 0.078 62.190 62.100 0.021 0.000 0.935 338 T CB 0.241 69.120 68.868 0.019 0.000 1.034 338 T HN 0.273 nan 8.240 nan 0.000 0.575 339 A N 1.928 124.750 122.820 0.004 0.000 1.845 339 A HA 0.269 4.589 4.320 -0.000 0.000 0.215 339 A C 2.471 180.045 177.584 -0.016 0.000 1.195 339 A CA 1.261 53.296 52.037 -0.003 0.000 0.616 339 A CB -1.408 17.596 19.000 0.006 0.000 0.832 339 A HN 0.642 nan 8.150 nan 0.000 0.443 340 G N -1.093 107.699 108.800 -0.014 0.000 2.882 340 G HA2 0.319 4.279 3.960 -0.000 0.000 0.206 340 G HA3 0.319 4.279 3.960 -0.000 0.000 0.206 340 G C 0.410 175.275 174.900 -0.059 0.000 1.155 340 G CA -0.145 44.940 45.100 -0.024 0.000 0.800 340 G HN 0.363 nan 8.290 nan 0.000 0.524 341 L N 0.627 121.797 121.223 -0.088 0.000 2.325 341 L HA 0.542 4.882 4.340 -0.000 0.000 0.279 341 L C -0.680 176.121 176.870 -0.115 0.000 1.054 341 L CA -0.718 54.028 54.840 -0.158 0.000 0.804 341 L CB 2.293 44.207 42.059 -0.243 0.000 1.200 341 L HN -0.196 nan 8.230 nan 0.000 0.436 342 V N 4.840 124.680 119.914 -0.123 0.000 2.524 342 V HA 0.336 4.456 4.120 -0.000 0.000 0.297 342 V C -0.317 175.719 176.094 -0.096 0.000 1.035 342 V CA -0.414 61.836 62.300 -0.084 0.000 0.867 342 V CB 1.915 33.703 31.823 -0.059 0.000 1.004 342 V HN 0.488 nan 8.190 nan 0.000 0.426 343 L N 4.146 125.321 121.223 -0.079 0.000 2.262 343 L HA 0.514 4.854 4.340 -0.000 0.000 0.288 343 L C 0.805 177.649 176.870 -0.044 0.000 1.035 343 L CA -0.264 54.539 54.840 -0.063 0.000 0.820 343 L CB 1.127 43.161 42.059 -0.042 0.000 1.204 343 L HN 0.597 nan 8.230 nan 0.000 0.424 344 N N 1.343 120.013 118.700 -0.050 0.000 2.294 344 N HA 0.001 4.741 4.740 -0.000 0.000 0.186 344 N C -0.553 174.868 175.510 -0.147 0.000 1.107 344 N CA 0.181 53.179 53.050 -0.087 0.000 0.884 344 N CB 0.646 39.084 38.487 -0.081 0.000 1.030 344 N HN 0.829 nan 8.380 nan 0.000 0.482 345 D N -3.842 116.523 120.400 -0.058 0.000 2.692 345 D HA 0.280 4.920 4.640 -0.000 0.000 0.290 345 D C 0.597 176.980 176.300 0.138 0.000 1.281 345 D CA -0.610 53.371 54.000 -0.032 0.000 0.804 345 D CB 0.362 41.138 40.800 -0.039 0.000 1.331 345 D HN -0.120 nan 8.370 nan 0.000 0.432 346 G N -1.224 107.730 108.800 0.256 0.000 2.744 346 G HA2 0.058 4.018 3.960 -0.000 0.000 0.211 346 G HA3 0.058 4.018 3.960 -0.000 0.000 0.211 346 G C 1.041 176.119 174.900 0.297 0.000 1.146 346 G CA 0.742 46.008 45.100 0.277 0.000 0.787 346 G HN 0.591 nan 8.290 nan 0.000 0.534 347 S N -0.929 114.954 115.700 0.305 0.000 2.486 347 S HA 0.365 4.835 4.470 -0.000 0.000 0.220 347 S C 1.867 176.563 174.600 0.160 0.000 1.011 347 S CA 1.141 59.499 58.200 0.265 0.000 0.921 347 S CB 0.119 63.477 63.200 0.263 0.000 0.785 347 S HN 1.391 nan 8.310 nan 0.000 0.517 348 G N 1.005 109.890 108.800 0.143 0.000 2.159 348 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.227 348 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.227 348 G C 0.564 175.467 174.900 0.005 0.000 0.986 348 G CA 0.309 45.451 45.100 0.070 0.000 0.651 348 G HN 0.453 nan 8.290 nan 0.000 0.523 349 L N 0.936 122.157 121.223 -0.004 0.000 2.027 349 L HA 0.082 4.422 4.340 -0.000 0.000 0.206 349 L C 2.230 179.028 176.870 -0.119 0.000 1.074 349 L CA 1.317 56.034 54.840 -0.206 0.000 0.745 349 L CB -0.615 41.059 42.059 -0.643 0.000 0.898 349 L HN 0.441 nan 8.230 nan 0.000 0.433 350 S N 0.061 115.850 115.700 0.149 0.000 2.558 350 S HA -0.062 4.408 4.470 -0.000 0.000 0.293 350 S C 1.363 175.963 174.600 0.001 0.000 1.292 350 S CA -0.274 58.011 58.200 0.142 0.000 1.063 350 S CB 0.543 63.822 63.200 0.131 0.000 0.831 350 S HN 0.168 nan 8.310 nan 0.000 0.499 351 R N 3.354 123.844 120.500 -0.018 0.000 2.276 351 R HA 0.002 4.341 4.340 -0.000 0.000 0.203 351 R C 1.938 178.236 176.300 -0.004 0.000 1.017 351 R CA 0.857 56.938 56.100 -0.032 0.000 1.010 351 R CB -0.669 29.630 30.300 -0.001 0.000 0.900 351 R HN 0.786 nan 8.270 nan 0.000 0.469 352 G N 0.865 109.668 108.800 0.005 0.000 3.026 352 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.208 352 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.208 352 G C 0.278 175.164 174.900 -0.024 0.000 1.169 352 G CA -0.254 44.840 45.100 -0.008 0.000 0.788 352 G HN 0.145 nan 8.290 nan 0.000 0.533 353 N N 0.211 118.897 118.700 -0.023 0.000 2.508 353 N HA 0.635 5.375 4.740 -0.000 0.000 0.285 353 N C -0.762 174.723 175.510 -0.043 0.000 1.144 353 N CA -0.094 52.934 53.050 -0.036 0.000 0.978 353 N CB 2.031 40.504 38.487 -0.023 0.000 1.180 353 N HN -0.023 nan 8.380 nan 0.000 0.484 354 L N 0.710 121.893 121.223 -0.067 0.000 2.482 354 L HA 0.557 4.897 4.340 -0.000 0.000 0.263 354 L C -0.353 176.455 176.870 -0.103 0.000 0.957 354 L CA -0.847 53.955 54.840 -0.062 0.000 0.836 354 L CB 2.073 44.103 42.059 -0.049 0.000 1.324 354 L HN 0.317 nan 8.230 nan 0.000 0.406 355 V N -0.738 119.135 119.914 -0.069 0.000 3.103 355 V HA 0.948 5.068 4.120 -0.000 0.000 0.311 355 V C -0.691 175.400 176.094 -0.004 0.000 1.322 355 V CA -0.490 61.765 62.300 -0.075 0.000 1.063 355 V CB 2.231 34.038 31.823 -0.027 0.000 1.090 355 V HN 0.815 nan 8.190 nan 0.000 0.462 356 T N -2.817 111.759 114.554 0.037 0.000 2.933 356 T HA 0.756 5.106 4.350 -0.000 0.000 0.305 356 T C 0.776 175.525 174.700 0.082 0.000 1.092 356 T CA 0.082 62.212 62.100 0.050 0.000 1.008 356 T CB 1.537 70.429 68.868 0.041 0.000 1.102 356 T HN 1.950 nan 8.240 nan 0.000 0.469 357 A N 2.009 124.871 122.820 0.070 0.000 1.927 357 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 357 A C 1.970 179.601 177.584 0.078 0.000 1.185 357 A CA 2.182 54.261 52.037 0.070 0.000 0.639 357 A CB -1.046 17.995 19.000 0.068 0.000 0.820 357 A HN 0.931 nan 8.150 nan 0.000 0.451 358 D N -0.730 119.715 120.400 0.075 0.000 2.123 358 D HA -0.112 4.528 4.640 -0.000 0.000 0.196 358 D C 2.049 178.405 176.300 0.094 0.000 0.992 358 D CA 1.967 56.011 54.000 0.074 0.000 0.833 358 D CB -0.561 40.276 40.800 0.061 0.000 0.954 358 D HN 0.460 nan 8.370 nan 0.000 0.455 359 T N 0.653 115.280 114.554 0.121 0.000 2.788 359 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 359 T C 2.275 177.128 174.700 0.256 0.000 1.044 359 T CA 0.663 62.876 62.100 0.188 0.000 1.139 359 T CB -0.257 68.726 68.868 0.191 0.000 0.867 359 T HN -0.026 nan 8.240 nan 0.000 0.454 360 V N 1.288 121.340 119.914 0.228 0.000 2.223 360 V HA -0.160 3.960 4.120 -0.000 0.000 0.244 360 V C 2.696 178.797 176.094 0.011 0.000 1.045 360 V CA 1.425 63.794 62.300 0.117 0.000 1.000 360 V CB -0.909 30.950 31.823 0.060 0.000 0.635 360 V HN 0.288 nan 8.190 nan 0.000 0.445 361 V N 0.818 120.744 119.914 0.019 0.000 2.324 361 V HA -0.330 3.790 4.120 -0.000 0.000 0.250 361 V C 2.442 178.563 176.094 0.044 0.000 1.060 361 V CA 2.435 64.743 62.300 0.015 0.000 1.042 361 V CB -0.790 31.059 31.823 0.044 0.000 0.650 361 V HN 0.697 nan 8.190 nan 0.000 0.450 362 D N 0.034 120.471 120.400 0.062 0.000 2.092 362 D HA -0.186 4.454 4.640 -0.000 0.000 0.193 362 D C 2.057 178.386 176.300 0.048 0.000 0.994 362 D CA 1.799 55.837 54.000 0.064 0.000 0.828 362 D CB -0.262 40.587 40.800 0.083 0.000 0.963 362 D HN 0.308 nan 8.370 nan 0.000 0.450 363 L N 0.728 121.975 121.223 0.040 0.000 1.989 363 L HA -0.135 4.204 4.340 -0.000 0.000 0.211 363 L C 2.477 179.339 176.870 -0.013 0.000 1.071 363 L CA 1.637 56.460 54.840 -0.028 0.000 0.749 363 L CB -1.033 40.898 42.059 -0.213 0.000 0.890 363 L HN 0.170 nan 8.230 nan 0.000 0.431 364 L N -0.350 120.894 121.223 0.035 0.000 2.089 364 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 364 L C 2.515 179.530 176.870 0.242 0.000 1.079 364 L CA 1.481 56.432 54.840 0.185 0.000 0.758 364 L CB -1.489 40.578 42.059 0.013 0.000 0.891 364 L HN 0.554 nan 8.230 nan 0.000 0.433 365 G N -1.280 107.593 108.800 0.120 0.000 2.402 365 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 365 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 365 G C 1.495 176.387 174.900 -0.014 0.000 1.162 365 G CA 0.168 45.313 45.100 0.075 0.000 0.777 365 G HN 0.276 nan 8.290 nan 0.000 0.539 366 Q N 0.444 120.216 119.800 -0.046 0.000 2.230 366 Q HA 0.115 4.455 4.340 -0.000 0.000 0.202 366 Q C 2.803 178.645 176.000 -0.263 0.000 0.963 366 Q CA 1.147 56.880 55.803 -0.116 0.000 0.866 366 Q CB -0.451 28.248 28.738 -0.065 0.000 0.931 366 Q HN 0.470 nan 8.270 nan 0.000 0.452 367 A N 0.558 123.194 122.820 -0.306 0.000 1.929 367 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 367 A C 2.307 179.518 177.584 -0.623 0.000 1.176 367 A CA 1.391 53.042 52.037 -0.643 0.000 0.628 367 A CB -0.847 17.517 19.000 -1.059 0.000 0.816 367 A HN 0.413 nan 8.150 nan 0.000 0.444 368 G N -0.037 108.583 108.800 -0.300 0.000 2.470 368 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.220 368 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.220 368 G C 1.333 176.067 174.900 -0.275 0.000 1.121 368 G CA 1.358 46.307 45.100 -0.250 0.000 0.766 368 G HN 0.881 nan 8.290 nan 0.000 0.553 369 S N -0.647 114.871 115.700 -0.304 0.000 2.552 369 S HA 0.721 5.191 4.470 -0.000 0.000 0.246 369 S C 0.397 174.758 174.600 -0.397 0.000 1.019 369 S CA 0.001 58.037 58.200 -0.274 0.000 1.045 369 S CB 0.659 63.750 63.200 -0.181 0.000 0.784 369 S HN 0.519 nan 8.310 nan 0.000 0.453 370 A N 2.524 124.955 122.820 -0.649 0.000 2.350 370 A HA 0.773 5.093 4.320 -0.000 0.000 0.324 370 A C -1.522 175.574 177.584 -0.813 0.000 1.118 370 A CA -2.107 49.353 52.037 -0.963 0.000 0.783 370 A CB 1.024 18.813 19.000 -2.017 0.000 1.236 370 A HN 0.202 nan 8.150 nan 0.000 0.457 371 P HA -0.161 nan 4.420 nan 0.000 0.219 371 P C 0.741 177.941 177.300 -0.167 0.000 1.144 371 P CA 1.476 64.404 63.100 -0.286 0.000 0.806 371 P CB -0.070 31.543 31.700 -0.145 0.000 0.771 372 W N -1.962 119.333 121.300 -0.009 0.000 3.330 372 W HA 0.614 5.274 4.660 0.000 0.000 0.348 372 W C 1.231 177.788 176.519 0.064 0.000 1.205 372 W CA 0.011 57.378 57.345 0.037 0.000 1.841 372 W CB -1.228 28.267 29.460 0.057 0.000 1.084 372 W HN -0.116 nan 8.180 nan 0.000 0.665 373 A N 1.580 124.378 122.820 -0.038 0.000 2.042 373 A HA -0.298 4.022 4.320 -0.000 0.000 0.222 373 A C 2.088 179.825 177.584 0.254 0.000 1.167 373 A CA 2.204 54.261 52.037 0.034 0.000 0.649 373 A CB -0.445 18.445 19.000 -0.182 0.000 0.809 373 A HN 0.305 nan 8.150 nan 0.000 0.457 374 Q N -0.950 118.972 119.800 0.205 0.000 2.204 374 Q HA -0.036 4.304 4.340 -0.000 0.000 0.198 374 Q C 2.298 178.436 176.000 0.230 0.000 0.946 374 Q CA 1.922 57.834 55.803 0.182 0.000 0.859 374 Q CB -0.406 28.398 28.738 0.109 0.000 0.946 374 Q HN 0.801 nan 8.270 nan 0.000 0.474 375 T N -2.018 112.706 114.554 0.284 0.000 2.857 375 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 375 T C 1.529 176.418 174.700 0.314 0.000 1.048 375 T CA 0.930 63.185 62.100 0.258 0.000 1.139 375 T CB -0.643 68.380 68.868 0.258 0.000 0.874 375 T HN 0.526 nan 8.240 nan 0.000 0.455 376 W N 2.424 123.861 121.300 0.229 0.000 2.355 376 W HA -0.090 4.570 4.660 -0.000 0.000 0.309 376 W C 1.821 178.437 176.519 0.161 0.000 1.206 376 W CA 1.314 58.789 57.345 0.217 0.000 1.284 376 W CB -0.743 28.977 29.460 0.434 0.000 1.145 376 W HN 0.334 nan 8.180 nan 0.000 0.502 377 S N 1.282 117.168 115.700 0.311 0.000 2.402 377 S HA -0.086 4.384 4.470 -0.000 0.000 0.229 377 S C 2.096 176.711 174.600 0.025 0.000 1.021 377 S CA 1.408 59.671 58.200 0.105 0.000 0.974 377 S CB -0.685 62.605 63.200 0.151 0.000 0.800 377 S HN 0.375 nan 8.310 nan 0.000 0.484 378 A N 1.567 124.428 122.820 0.070 0.000 2.121 378 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 378 A C 2.240 179.825 177.584 0.001 0.000 1.154 378 A CA 1.559 53.625 52.037 0.048 0.000 0.679 378 A CB -0.583 18.469 19.000 0.086 0.000 0.795 378 A HN 0.593 nan 8.150 nan 0.000 0.458 379 S N -0.776 114.894 115.700 -0.049 0.000 2.478 379 S HA 0.232 4.702 4.470 -0.000 0.000 0.222 379 S C 0.638 175.106 174.600 -0.219 0.000 1.008 379 S CA -0.272 57.862 58.200 -0.110 0.000 0.928 379 S CB -0.521 62.609 63.200 -0.116 0.000 0.781 379 S HN 0.363 nan 8.310 nan 0.000 0.518 380 L N 2.539 123.612 121.223 -0.250 0.000 2.426 380 L HA 0.379 4.719 4.340 -0.000 0.000 0.271 380 L C -2.470 174.285 176.870 -0.191 0.000 1.169 380 L CA -2.199 52.480 54.840 -0.268 0.000 0.836 380 L CB 0.213 42.115 42.059 -0.262 0.000 1.112 380 L HN 0.034 nan 8.230 nan 0.000 0.465 381 P HA 0.066 nan 4.420 nan 0.000 0.271 381 P C -0.964 176.273 177.300 -0.103 0.000 1.218 381 P CA -0.167 62.828 63.100 -0.177 0.000 0.780 381 P CB 0.835 32.419 31.700 -0.192 0.000 0.901 382 V N 2.422 122.290 119.914 -0.076 0.000 2.384 382 V HA 0.490 4.610 4.120 -0.000 0.000 0.287 382 V C 0.419 176.491 176.094 -0.037 0.000 1.020 382 V CA -1.059 61.217 62.300 -0.039 0.000 0.850 382 V CB 1.027 32.836 31.823 -0.023 0.000 0.987 382 V HN 0.670 nan 8.190 nan 0.000 0.436 383 A N 3.783 126.586 122.820 -0.029 0.000 2.565 383 A HA 0.471 4.791 4.320 -0.000 0.000 0.237 383 A C 1.597 179.166 177.584 -0.025 0.000 1.053 383 A CA 0.830 52.850 52.037 -0.028 0.000 0.755 383 A CB -0.475 18.509 19.000 -0.026 0.000 0.980 383 A HN 2.278 nan 8.150 nan 0.000 0.506 384 G N 1.159 109.948 108.800 -0.019 0.000 2.189 384 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.267 384 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.267 384 G C 0.090 174.988 174.900 -0.003 0.000 0.975 384 G CA 0.503 45.596 45.100 -0.011 0.000 0.644 384 G HN 0.833 nan 8.290 nan 0.000 0.537 385 E N 0.841 121.039 120.200 -0.003 0.000 2.180 385 E HA 0.443 4.793 4.350 -0.000 0.000 0.283 385 E C 1.320 177.933 176.600 0.023 0.000 1.061 385 E CA 0.274 56.680 56.400 0.009 0.000 0.861 385 E CB 1.151 30.855 29.700 0.006 0.000 1.056 385 E HN 0.208 nan 8.360 nan 0.000 0.407 386 S N 2.020 117.739 115.700 0.031 0.000 2.382 386 S HA -0.139 4.331 4.470 -0.000 0.000 0.228 386 S C 0.803 175.445 174.600 0.069 0.000 1.027 386 S CA 0.635 58.861 58.200 0.043 0.000 0.991 386 S CB 0.043 63.265 63.200 0.037 0.000 0.823 386 S HN 0.528 nan 8.310 nan 0.000 0.469 387 D N 1.948 122.395 120.400 0.079 0.000 2.412 387 D HA 0.057 4.697 4.640 -0.000 0.000 0.257 387 D C -1.859 174.538 176.300 0.160 0.000 1.217 387 D CA -1.743 52.332 54.000 0.125 0.000 0.897 387 D CB 1.146 42.019 40.800 0.122 0.000 1.132 387 D HN -0.003 nan 8.370 nan 0.000 0.493 388 P HA -0.146 nan 4.420 nan 0.000 0.216 388 P C 1.055 178.463 177.300 0.180 0.000 1.153 388 P CA 1.012 64.279 63.100 0.279 0.000 0.858 388 P CB -0.019 31.916 31.700 0.392 0.000 0.789 389 F N -1.845 118.214 119.950 0.182 0.000 2.771 389 F HA -0.065 4.461 4.527 -0.000 0.000 0.299 389 F C 1.909 177.677 175.800 -0.053 0.000 1.177 389 F CA 0.760 58.796 58.000 0.060 0.000 1.450 389 F CB -0.437 38.647 39.000 0.140 0.000 1.114 389 F HN -0.200 nan 8.300 nan 0.000 0.587 390 V N -1.914 118.047 119.914 0.079 0.000 2.854 390 V HA 0.163 4.283 4.120 -0.000 0.000 0.236 390 V C 2.390 178.451 176.094 -0.055 0.000 1.157 390 V CA 1.232 63.544 62.300 0.019 0.000 1.187 390 V CB -0.591 31.262 31.823 0.051 0.000 0.949 390 V HN 0.232 nan 8.190 nan 0.000 0.488 391 G N -0.429 108.348 108.800 -0.039 0.000 2.408 391 G HA2 0.312 4.272 3.960 -0.000 0.000 0.215 391 G HA3 0.312 4.272 3.960 -0.000 0.000 0.215 391 G C 1.152 175.976 174.900 -0.127 0.000 1.156 391 G CA 1.126 46.191 45.100 -0.058 0.000 0.793 391 G HN 0.876 nan 8.290 nan 0.000 0.535 392 G N 0.002 108.681 108.800 -0.203 0.000 2.614 392 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.303 392 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.303 392 G C 1.453 176.287 174.900 -0.109 0.000 1.270 392 G CA 2.155 47.043 45.100 -0.353 0.000 0.988 392 G HN 1.271 nan 8.290 nan 0.000 0.551 393 T N -0.635 113.849 114.554 -0.116 0.000 3.077 393 T HA 0.182 4.532 4.350 -0.000 0.000 0.269 393 T C 1.969 176.646 174.700 -0.038 0.000 1.146 393 T CA 1.863 63.941 62.100 -0.036 0.000 1.091 393 T CB -0.112 68.727 68.868 -0.049 0.000 0.892 393 T HN 0.610 nan 8.240 nan 0.000 0.533 394 L N -0.289 120.899 121.223 -0.057 0.000 2.808 394 L HA 0.507 4.847 4.340 -0.000 0.000 0.246 394 L C 2.649 179.504 176.870 -0.025 0.000 1.153 394 L CA 0.101 54.917 54.840 -0.041 0.000 0.956 394 L CB -0.269 41.760 42.059 -0.050 0.000 1.270 394 L HN 0.268 nan 8.230 nan 0.000 0.528 395 A N 0.547 123.359 122.820 -0.013 0.000 1.986 395 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 395 A C 1.628 179.216 177.584 0.007 0.000 1.171 395 A CA 1.629 53.669 52.037 0.005 0.000 0.640 395 A CB -0.271 18.748 19.000 0.033 0.000 0.811 395 A HN 0.454 nan 8.150 nan 0.000 0.451 396 N N -0.383 118.320 118.700 0.004 0.000 2.273 396 N HA 0.146 4.885 4.740 -0.000 0.000 0.231 396 N C -0.445 175.061 175.510 -0.007 0.000 1.134 396 N CA 0.084 53.135 53.050 0.002 0.000 0.856 396 N CB 0.458 38.949 38.487 0.007 0.000 1.068 396 N HN 0.467 nan 8.380 nan 0.000 0.510 397 R N -0.054 120.439 120.500 -0.012 0.000 2.670 397 R HA 0.423 4.763 4.340 -0.000 0.000 0.289 397 R C 0.590 176.878 176.300 -0.021 0.000 0.965 397 R CA -0.566 55.523 56.100 -0.019 0.000 0.899 397 R CB 1.574 31.860 30.300 -0.023 0.000 1.173 397 R HN 0.019 nan 8.270 nan 0.000 0.456 398 M N 0.293 119.879 119.600 -0.024 0.000 2.762 398 M HA -0.278 4.202 4.480 -0.000 0.000 0.190 398 M C -0.434 175.853 176.300 -0.022 0.000 0.586 398 M CA 1.067 56.350 55.300 -0.028 0.000 0.620 398 M CB -1.299 31.279 32.600 -0.037 0.000 2.269 398 M HN 0.535 nan 8.290 nan 0.000 0.563 399 R N 0.895 121.386 120.500 -0.016 0.000 2.522 399 R HA 0.280 4.620 4.340 -0.000 0.000 0.284 399 R C 1.385 177.679 176.300 -0.009 0.000 1.032 399 R CA 1.105 57.199 56.100 -0.010 0.000 1.049 399 R CB 0.304 30.601 30.300 -0.005 0.000 0.956 399 R HN 0.572 nan 8.270 nan 0.000 0.422 400 G N 1.796 110.592 108.800 -0.007 0.000 2.136 400 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.242 400 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.242 400 G C 0.191 175.088 174.900 -0.006 0.000 0.989 400 G CA 0.527 45.624 45.100 -0.004 0.000 0.682 400 G HN 0.739 nan 8.290 nan 0.000 0.522 401 T N -4.058 110.489 114.554 -0.012 0.000 2.910 401 T HA 0.814 5.164 4.350 -0.000 0.000 0.287 401 T C 1.577 176.269 174.700 -0.013 0.000 1.050 401 T CA 0.389 62.481 62.100 -0.012 0.000 1.011 401 T CB 1.630 70.485 68.868 -0.022 0.000 1.195 401 T HN 1.407 nan 8.240 nan 0.000 0.540 402 A N 0.262 123.080 122.820 -0.003 0.000 2.084 402 A HA 0.187 4.507 4.320 -0.000 0.000 0.221 402 A C 2.345 179.892 177.584 -0.063 0.000 1.161 402 A CA 1.860 53.904 52.037 0.013 0.000 0.653 402 A CB -1.396 17.635 19.000 0.052 0.000 0.802 402 A HN 1.292 nan 8.150 nan 0.000 0.457 403 A N -0.744 122.034 122.820 -0.070 0.000 2.178 403 A HA 0.138 4.458 4.320 -0.000 0.000 0.211 403 A C 0.975 178.503 177.584 -0.094 0.000 1.157 403 A CA 0.314 52.289 52.037 -0.102 0.000 0.780 403 A CB -0.248 18.703 19.000 -0.081 0.000 0.828 403 A HN 0.596 nan 8.150 nan 0.000 0.476 404 E N 0.049 120.208 120.200 -0.068 0.000 2.415 404 E HA 0.301 4.651 4.350 -0.000 0.000 0.260 404 E C 1.128 177.693 176.600 -0.058 0.000 1.016 404 E CA 0.546 56.916 56.400 -0.048 0.000 0.924 404 E CB -0.057 29.627 29.700 -0.026 0.000 0.961 404 E HN 0.638 nan 8.360 nan 0.000 0.459 405 G N 2.752 111.525 108.800 -0.045 0.000 2.155 405 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 405 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 405 G C 0.537 175.400 174.900 -0.061 0.000 0.983 405 G CA 0.422 45.501 45.100 -0.036 0.000 0.676 405 G HN 0.457 nan 8.290 nan 0.000 0.528 406 V N -0.735 119.116 119.914 -0.105 0.000 3.001 406 V HA 0.229 4.349 4.120 -0.000 0.000 0.228 406 V C 1.727 177.790 176.094 -0.051 0.000 1.204 406 V CA 0.766 62.974 62.300 -0.153 0.000 1.247 406 V CB 0.112 31.694 31.823 -0.402 0.000 1.093 406 V HN 0.198 nan 8.190 nan 0.000 0.504 407 V N 3.399 123.288 119.914 -0.042 0.000 2.585 407 V HA 0.110 4.230 4.120 -0.000 0.000 0.296 407 V C 0.026 176.153 176.094 0.054 0.000 1.035 407 V CA 0.257 62.584 62.300 0.044 0.000 1.084 407 V CB 0.026 31.867 31.823 0.030 0.000 0.953 407 V HN 0.786 nan 8.190 nan 0.000 0.483 408 E N 4.445 124.705 120.200 0.100 0.000 2.235 408 E HA 0.782 5.132 4.350 -0.000 0.000 0.252 408 E C -0.676 175.917 176.600 -0.012 0.000 0.886 408 E CA -0.695 55.729 56.400 0.041 0.000 0.767 408 E CB 1.957 31.696 29.700 0.065 0.000 1.205 408 E HN 0.681 nan 8.360 nan 0.000 0.421 409 A N 2.709 125.482 122.820 -0.078 0.000 2.566 409 A HA 0.696 5.016 4.320 -0.000 0.000 0.292 409 A C -1.342 176.114 177.584 -0.213 0.000 1.112 409 A CA -1.035 50.891 52.037 -0.186 0.000 0.707 409 A CB 1.927 20.873 19.000 -0.089 0.000 1.302 409 A HN 0.401 nan 8.150 nan 0.000 0.409 410 K N 0.910 121.147 120.400 -0.272 0.000 2.185 410 K HA 0.591 4.910 4.320 -0.000 0.000 0.269 410 K C 0.262 176.756 176.600 -0.177 0.000 0.987 410 K CA 0.204 56.341 56.287 -0.250 0.000 0.865 410 K CB 0.879 33.197 32.500 -0.304 0.000 1.090 410 K HN 0.888 nan 8.250 nan 0.000 0.450 411 T N -0.071 114.399 114.554 -0.141 0.000 2.824 411 T HA 0.800 5.150 4.350 -0.000 0.000 0.277 411 T C 0.236 174.887 174.700 -0.083 0.000 0.975 411 T CA -0.690 61.353 62.100 -0.095 0.000 0.966 411 T CB 1.450 70.273 68.868 -0.076 0.000 1.054 411 T HN 0.582 nan 8.240 nan 0.000 0.533 412 G N 0.196 108.959 108.800 -0.061 0.000 2.596 412 G HA2 0.507 4.467 3.960 -0.000 0.000 0.300 412 G HA3 0.507 4.467 3.960 -0.000 0.000 0.300 412 G C -0.783 174.088 174.900 -0.047 0.000 1.370 412 G CA -0.268 44.801 45.100 -0.052 0.000 1.170 412 G HN 1.082 nan 8.290 nan 0.000 0.594 413 T N 0.264 114.781 114.554 -0.062 0.000 2.916 413 T HA 0.833 5.183 4.350 -0.000 0.000 0.305 413 T C -0.584 174.051 174.700 -0.108 0.000 1.119 413 T CA -0.587 61.475 62.100 -0.064 0.000 1.008 413 T CB 2.091 70.922 68.868 -0.062 0.000 1.129 413 T HN 1.352 nan 8.240 nan 0.000 0.480 414 M N 2.050 121.590 119.600 -0.100 0.000 2.790 414 M HA 0.482 4.962 4.480 -0.000 0.000 0.272 414 M C -0.977 175.241 176.300 -0.136 0.000 1.168 414 M CA -0.636 54.566 55.300 -0.163 0.000 0.829 414 M CB 1.820 34.311 32.600 -0.181 0.000 1.675 414 M HN 0.786 nan 8.290 nan 0.000 0.505 415 S N 1.006 116.597 115.700 -0.182 0.000 2.629 415 S HA 0.340 4.810 4.470 -0.000 0.000 0.302 415 S C 1.087 175.586 174.600 -0.168 0.000 1.244 415 S CA 2.022 60.131 58.200 -0.152 0.000 1.098 415 S CB -0.643 62.466 63.200 -0.152 0.000 0.858 415 S HN 1.553 nan 8.310 nan 0.000 0.502 416 G N 2.891 111.552 108.800 -0.231 0.000 2.166 416 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.260 416 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.260 416 G C -0.005 174.691 174.900 -0.340 0.000 0.986 416 G CA 0.289 45.119 45.100 -0.449 0.000 0.683 416 G HN 1.180 nan 8.290 nan 0.000 0.527 417 V N -0.520 119.362 119.914 -0.054 0.000 2.733 417 V HA 0.835 4.955 4.120 -0.000 0.000 0.306 417 V C -0.162 176.019 176.094 0.145 0.000 1.084 417 V CA -0.088 62.271 62.300 0.097 0.000 0.905 417 V CB 2.071 33.884 31.823 -0.016 0.000 1.010 417 V HN 0.664 nan 8.190 nan 0.000 0.424 418 S N 2.305 118.085 115.700 0.133 0.000 2.536 418 S HA 0.937 5.407 4.470 -0.000 0.000 0.271 418 S C -1.034 173.560 174.600 -0.009 0.000 1.134 418 S CA 0.244 58.453 58.200 0.015 0.000 0.897 418 S CB 1.820 64.968 63.200 -0.087 0.000 1.094 418 S HN 1.593 nan 8.310 nan 0.000 0.473 419 A N 2.596 125.400 122.820 -0.026 0.000 2.566 419 A HA 0.807 5.127 4.320 -0.000 0.000 0.297 419 A C -2.037 175.523 177.584 -0.040 0.000 1.059 419 A CA -0.517 51.505 52.037 -0.026 0.000 0.691 419 A CB 1.590 20.580 19.000 -0.018 0.000 1.282 419 A HN 1.057 nan 8.150 nan 0.000 0.401 420 L N 1.300 122.505 121.223 -0.030 0.000 2.476 420 L HA 0.809 5.149 4.340 -0.000 0.000 0.269 420 L C -0.938 175.864 176.870 -0.113 0.000 0.965 420 L CA 0.343 55.166 54.840 -0.029 0.000 0.845 420 L CB 2.129 44.229 42.059 0.069 0.000 1.259 420 L HN 0.675 nan 8.230 nan 0.000 0.403 421 S N 2.691 118.187 115.700 -0.341 0.000 2.546 421 S HA 0.996 5.466 4.470 -0.000 0.000 0.272 421 S C -0.257 173.806 174.600 -0.894 0.000 1.140 421 S CA -0.087 57.673 58.200 -0.733 0.000 0.920 421 S CB 1.819 64.757 63.200 -0.438 0.000 1.083 421 S HN 1.123 nan 8.310 nan 0.000 0.476 422 G N 1.200 109.132 108.800 -1.446 0.000 2.512 422 G HA2 0.532 4.492 3.960 -0.000 0.000 0.186 422 G HA3 0.532 4.492 3.960 -0.000 0.000 0.186 422 G C -2.428 171.967 174.900 -0.843 0.000 1.189 422 G CA -0.450 44.057 45.100 -0.988 0.000 0.994 422 G HN 0.489 nan 8.290 nan 0.000 0.506 423 Y N -1.158 119.179 120.300 0.063 0.000 2.536 423 Y HA 0.675 5.225 4.550 -0.000 0.000 0.347 423 Y C -0.208 175.851 175.900 0.264 0.000 1.000 423 Y CA -1.040 57.176 58.100 0.193 0.000 1.051 423 Y CB 2.691 41.225 38.460 0.124 0.000 1.259 423 Y HN 0.304 nan 8.280 nan 0.000 0.468 424 V N 4.248 124.404 119.914 0.404 0.000 2.357 424 V HA 0.407 4.527 4.120 -0.000 0.000 0.281 424 V C -2.497 173.730 176.094 0.221 0.000 1.015 424 V CA -1.763 60.684 62.300 0.245 0.000 0.827 424 V CB 1.316 33.238 31.823 0.165 0.000 1.018 424 V HN 0.528 nan 8.190 nan 0.000 0.432 425 P HA 0.735 nan 4.420 nan 0.000 0.282 425 P C -0.130 177.340 177.300 0.282 0.000 1.259 425 P CA -0.145 63.063 63.100 0.180 0.000 0.826 425 P CB 2.632 34.411 31.700 0.132 0.000 1.064 426 G N 0.841 109.772 108.800 0.217 0.000 2.355 426 G HA2 0.273 4.232 3.960 -0.000 0.000 0.296 426 G HA3 0.273 4.232 3.960 -0.000 0.000 0.296 426 G C -2.750 172.158 174.900 0.013 0.000 1.507 426 G CA -0.790 44.416 45.100 0.176 0.000 0.823 426 G HN 0.070 nan 8.290 nan 0.000 0.569 427 P HA -0.085 nan 4.420 nan 0.000 0.218 427 P C 0.902 178.172 177.300 -0.050 0.000 1.146 427 P CA 1.126 64.180 63.100 -0.078 0.000 0.820 427 P CB 0.333 31.955 31.700 -0.129 0.000 0.778 428 E N -0.259 119.912 120.200 -0.049 0.000 2.311 428 E HA 0.307 4.657 4.350 -0.000 0.000 0.198 428 E C 1.113 177.732 176.600 0.032 0.000 1.115 428 E CA 0.177 56.560 56.400 -0.029 0.000 1.140 428 E CB -0.496 29.157 29.700 -0.079 0.000 1.204 428 E HN 0.140 nan 8.360 nan 0.000 0.446 429 G N 2.068 110.892 108.800 0.041 0.000 2.796 429 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.571 429 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.571 429 G C -0.632 174.330 174.900 0.103 0.000 1.370 429 G CA -0.434 44.705 45.100 0.065 0.000 0.856 429 G HN 0.300 nan 8.290 nan 0.000 0.538 430 E N -0.769 119.493 120.200 0.104 0.000 2.191 430 E HA 0.635 4.985 4.350 -0.000 0.000 0.278 430 E C 0.254 176.962 176.600 0.180 0.000 0.972 430 E CA -0.835 55.648 56.400 0.139 0.000 0.804 430 E CB 0.698 30.452 29.700 0.091 0.000 1.110 430 E HN 0.550 nan 8.360 nan 0.000 0.394 431 L N 2.543 123.908 121.223 0.236 0.000 2.334 431 L HA 0.770 5.110 4.340 -0.000 0.000 0.270 431 L C -0.316 176.768 176.870 0.357 0.000 1.018 431 L CA -1.029 53.965 54.840 0.256 0.000 0.811 431 L CB 1.823 44.016 42.059 0.224 0.000 1.271 431 L HN 0.623 nan 8.230 nan 0.000 0.443 432 A N 2.022 125.026 122.820 0.308 0.000 2.365 432 A HA 0.895 5.215 4.320 -0.000 0.000 0.318 432 A C -1.163 176.561 177.584 0.233 0.000 1.091 432 A CA -0.354 51.829 52.037 0.243 0.000 0.763 432 A CB 1.312 20.435 19.000 0.204 0.000 1.248 432 A HN 0.606 nan 8.150 nan 0.000 0.442 433 F N -0.179 119.747 119.950 -0.040 0.000 2.678 433 F HA 0.800 5.327 4.527 -0.000 0.000 0.308 433 F C -0.749 175.012 175.800 -0.066 0.000 1.118 433 F CA -0.634 57.342 58.000 -0.040 0.000 0.959 433 F CB 1.289 40.261 39.000 -0.047 0.000 1.305 433 F HN 0.562 nan 8.300 nan 0.000 0.443 434 S N 2.702 118.386 115.700 -0.027 0.000 2.557 434 S HA 0.827 5.297 4.470 -0.000 0.000 0.291 434 S C -1.433 173.209 174.600 0.070 0.000 1.116 434 S CA -0.539 57.610 58.200 -0.085 0.000 0.992 434 S CB 1.070 64.239 63.200 -0.051 0.000 1.028 434 S HN 0.675 nan 8.310 nan 0.000 0.484 435 I N 4.713 125.317 120.570 0.056 0.000 2.493 435 I HA 0.387 4.557 4.170 -0.000 0.000 0.279 435 I C -1.130 175.001 176.117 0.022 0.000 1.045 435 I CA -0.676 60.661 61.300 0.061 0.000 1.106 435 I CB 1.882 39.934 38.000 0.085 0.000 1.216 435 I HN 0.315 nan 8.210 nan 0.000 0.459 436 V N 5.510 125.439 119.914 0.025 0.000 2.378 436 V HA 0.446 4.566 4.120 -0.000 0.000 0.288 436 V C -0.314 175.797 176.094 0.029 0.000 1.016 436 V CA -0.714 61.600 62.300 0.024 0.000 0.840 436 V CB 1.438 33.281 31.823 0.033 0.000 0.994 436 V HN 0.604 nan 8.190 nan 0.000 0.431 437 N N 4.368 123.086 118.700 0.030 0.000 2.372 437 N HA 0.496 5.236 4.740 -0.000 0.000 0.291 437 N C -0.939 174.662 175.510 0.153 0.000 1.024 437 N CA -0.384 52.700 53.050 0.058 0.000 0.873 437 N CB 2.110 40.574 38.487 -0.039 0.000 1.206 437 N HN 0.698 nan 8.380 nan 0.000 0.486 438 N N -0.283 118.507 118.700 0.149 0.000 2.225 438 N HA 0.441 5.181 4.740 -0.000 0.000 0.298 438 N C 0.390 175.947 175.510 0.078 0.000 1.076 438 N CA -0.469 52.642 53.050 0.102 0.000 0.792 438 N CB 2.450 40.960 38.487 0.039 0.000 1.498 438 N HN 0.668 nan 8.380 nan 0.000 0.474 439 G N 0.720 109.486 108.800 -0.057 0.000 2.232 439 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.226 439 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.226 439 G C 0.045 174.886 174.900 -0.099 0.000 0.996 439 G CA -0.010 45.046 45.100 -0.072 0.000 0.626 439 G HN 0.840 nan 8.290 nan 0.000 0.509 440 H N 1.192 120.256 119.070 -0.011 0.000 2.929 440 H HA 0.488 5.044 4.556 -0.000 0.000 0.358 440 H C 1.402 176.723 175.328 -0.013 0.000 1.111 440 H CA 0.754 56.795 56.048 -0.012 0.000 1.409 440 H CB 0.706 30.459 29.762 -0.016 0.000 1.373 440 H HN 0.503 nan 8.280 nan 0.000 0.610 441 S N 0.804 116.517 115.700 0.020 0.000 2.524 441 S HA 0.239 4.709 4.470 -0.000 0.000 0.215 441 S C 1.112 175.720 174.600 0.012 0.000 0.986 441 S CA -0.128 58.058 58.200 -0.023 0.000 0.911 441 S CB 0.380 63.576 63.200 -0.007 0.000 0.805 441 S HN 0.891 nan 8.310 nan 0.000 0.501 442 G N 2.333 111.182 108.800 0.082 0.000 2.857 442 G HA2 0.637 4.597 3.960 -0.000 0.000 0.217 442 G HA3 0.637 4.597 3.960 -0.000 0.000 0.217 442 G C -2.643 172.331 174.900 0.124 0.000 1.357 442 G CA -1.609 43.535 45.100 0.074 0.000 1.033 442 G HN 0.280 nan 8.290 nan 0.000 0.571 443 P HA 0.352 nan 4.420 nan 0.000 0.274 443 P C -0.166 177.177 177.300 0.071 0.000 1.260 443 P CA -0.038 63.099 63.100 0.061 0.000 0.793 443 P CB 0.497 32.204 31.700 0.012 0.000 1.048 444 A N 2.095 124.928 122.820 0.021 0.000 2.546 444 A HA 0.198 4.518 4.320 -0.000 0.000 0.243 444 A C -1.616 175.866 177.584 -0.170 0.000 1.063 444 A CA -0.883 51.089 52.037 -0.108 0.000 0.757 444 A CB -1.222 17.741 19.000 -0.061 0.000 0.991 444 A HN 0.416 nan 8.150 nan 0.000 0.503 445 P HA 0.091 nan 4.420 nan 0.000 0.241 445 P C 0.650 177.870 177.300 -0.132 0.000 1.760 445 P CA 0.050 63.033 63.100 -0.194 0.000 1.081 445 P CB 0.028 31.584 31.700 -0.240 0.000 1.975 446 L N 1.303 122.469 121.223 -0.095 0.000 2.056 446 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 446 L C 2.580 179.412 176.870 -0.062 0.000 1.078 446 L CA 1.593 56.391 54.840 -0.070 0.000 0.749 446 L CB -1.113 40.914 42.059 -0.053 0.000 0.901 446 L HN 0.160 nan 8.230 nan 0.000 0.433 447 A N 0.179 122.964 122.820 -0.059 0.000 1.883 447 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 447 A C 2.399 179.946 177.584 -0.061 0.000 1.186 447 A CA 1.857 53.862 52.037 -0.052 0.000 0.624 447 A CB -0.909 18.065 19.000 -0.044 0.000 0.822 447 A HN 0.163 nan 8.150 nan 0.000 0.444 448 V N 0.030 119.902 119.914 -0.070 0.000 2.252 448 V HA -0.373 3.746 4.120 -0.000 0.000 0.249 448 V C 2.736 178.780 176.094 -0.084 0.000 1.056 448 V CA 2.503 64.757 62.300 -0.076 0.000 1.022 448 V CB -0.923 30.849 31.823 -0.083 0.000 0.641 448 V HN 0.671 nan 8.190 nan 0.000 0.445 449 Q N -0.618 119.134 119.800 -0.080 0.000 2.020 449 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 449 Q C 2.115 178.068 176.000 -0.079 0.000 0.982 449 Q CA 1.865 57.626 55.803 -0.070 0.000 0.838 449 Q CB -0.343 28.366 28.738 -0.049 0.000 0.899 449 Q HN 0.659 nan 8.270 nan 0.000 0.423 450 D N 0.592 120.951 120.400 -0.068 0.000 2.123 450 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 450 D C 1.801 178.048 176.300 -0.088 0.000 0.992 450 D CA 1.428 55.387 54.000 -0.069 0.000 0.833 450 D CB -0.242 40.526 40.800 -0.053 0.000 0.954 450 D HN 0.277 nan 8.370 nan 0.000 0.455 451 A N 0.866 123.635 122.820 -0.084 0.000 1.933 451 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 451 A C 2.401 179.913 177.584 -0.119 0.000 1.175 451 A CA 0.918 52.904 52.037 -0.086 0.000 0.628 451 A CB -0.660 18.297 19.000 -0.072 0.000 0.814 451 A HN 0.195 nan 8.150 nan 0.000 0.444 452 I N -0.582 119.896 120.570 -0.153 0.000 2.286 452 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 452 I C 2.985 178.929 176.117 -0.288 0.000 1.104 452 I CA 0.855 62.025 61.300 -0.217 0.000 1.397 452 I CB -0.388 37.471 38.000 -0.235 0.000 1.072 452 I HN 0.366 nan 8.210 nan 0.000 0.417 453 A N 0.695 123.341 122.820 -0.291 0.000 1.865 453 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 453 A C 2.440 179.882 177.584 -0.237 0.000 1.191 453 A CA 1.936 53.755 52.037 -0.363 0.000 0.623 453 A CB -1.054 17.815 19.000 -0.217 0.000 0.826 453 A HN 0.221 nan 8.150 nan 0.000 0.444 454 V N 0.112 119.938 119.914 -0.147 0.000 2.255 454 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 454 V C 2.691 178.746 176.094 -0.065 0.000 1.051 454 V CA 2.490 64.737 62.300 -0.089 0.000 1.018 454 V CB -0.842 30.943 31.823 -0.062 0.000 0.641 454 V HN 0.672 nan 8.190 nan 0.000 0.445 455 R N 0.216 120.669 120.500 -0.078 0.000 2.117 455 R HA -0.144 4.196 4.340 -0.000 0.000 0.243 455 R C 1.997 178.292 176.300 -0.009 0.000 1.143 455 R CA 1.772 57.849 56.100 -0.039 0.000 0.968 455 R CB -0.700 29.559 30.300 -0.067 0.000 0.863 455 R HN 0.525 nan 8.270 nan 0.000 0.444 456 L N -0.644 120.526 121.223 -0.089 0.000 2.072 456 L HA -0.018 4.322 4.340 -0.000 0.000 0.205 456 L C 2.506 179.415 176.870 0.064 0.000 1.079 456 L CA 1.189 55.996 54.840 -0.054 0.000 0.752 456 L CB -0.772 41.142 42.059 -0.241 0.000 0.906 456 L HN 0.326 nan 8.230 nan 0.000 0.436 457 A N 0.446 123.270 122.820 0.008 0.000 1.892 457 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 457 A C 2.137 179.829 177.584 0.181 0.000 1.188 457 A CA 2.016 54.097 52.037 0.074 0.000 0.631 457 A CB -0.542 18.441 19.000 -0.028 0.000 0.822 457 A HN 0.504 nan 8.150 nan 0.000 0.447 458 E N -1.913 118.358 120.200 0.117 0.000 2.110 458 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 458 E C 1.875 178.539 176.600 0.107 0.000 0.988 458 E CA 1.414 57.878 56.400 0.106 0.000 0.804 458 E CB -0.332 29.409 29.700 0.069 0.000 0.745 458 E HN 0.797 nan 8.360 nan 0.000 0.458 459 Y N 1.099 121.411 120.300 0.021 0.000 2.333 459 Y HA -0.135 4.415 4.550 -0.000 0.000 0.290 459 Y C 2.115 178.033 175.900 0.030 0.000 1.144 459 Y CA 1.106 59.216 58.100 0.018 0.000 1.228 459 Y CB -0.009 38.457 38.460 0.009 0.000 0.985 459 Y HN -0.013 nan 8.280 nan 0.000 0.542 460 A N -0.801 122.123 122.820 0.173 0.000 2.208 460 A HA 0.325 4.644 4.320 -0.000 0.000 0.209 460 A C 1.836 179.396 177.584 -0.041 0.000 1.161 460 A CA 0.923 53.037 52.037 0.128 0.000 0.782 460 A CB -1.024 18.141 19.000 0.276 0.000 0.816 460 A HN 0.835 nan 8.150 nan 0.000 0.477 461 G N -1.685 107.067 108.800 -0.080 0.000 2.148 461 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.203 461 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.203 461 G C -0.005 174.751 174.900 -0.240 0.000 0.993 461 G CA 0.062 45.054 45.100 -0.179 0.000 0.661 461 G HN 0.635 nan 8.290 nan 0.000 0.518 462 H N 0.816 119.882 119.070 -0.006 0.000 2.505 462 H HA 0.510 5.066 4.556 -0.000 0.000 0.355 462 H C 0.568 175.893 175.328 -0.004 0.000 1.179 462 H CA 0.624 56.671 56.048 -0.002 0.000 1.343 462 H CB 1.155 30.921 29.762 0.006 0.000 1.501 462 H HN 0.661 nan 8.280 nan 0.000 0.569 463 Q N 0.460 120.329 119.800 0.115 0.000 2.377 463 Q HA 0.674 5.014 4.340 -0.000 0.000 0.271 463 Q C -1.070 174.966 176.000 0.060 0.000 1.077 463 Q CA -1.406 54.434 55.803 0.060 0.000 0.820 463 Q CB 2.356 31.111 28.738 0.028 0.000 1.347 463 Q HN 0.608 nan 8.270 nan 0.000 0.444 464 A N 3.420 126.262 122.820 0.037 0.000 2.462 464 A HA 0.383 4.703 4.320 -0.000 0.000 0.243 464 A C -1.940 175.656 177.584 0.021 0.000 1.076 464 A CA -0.973 51.078 52.037 0.024 0.000 0.773 464 A CB -0.445 18.563 19.000 0.013 0.000 1.010 464 A HN 0.665 nan 8.150 nan 0.000 0.493 465 P HA 0.238 nan 4.420 nan 0.000 0.276 465 P C -0.532 176.774 177.300 0.010 0.000 1.235 465 P CA 0.039 63.149 63.100 0.016 0.000 0.772 465 P CB 0.960 32.668 31.700 0.014 0.000 0.871 466 E N 0.910 121.115 120.200 0.010 0.000 2.302 466 E HA 0.762 5.112 4.350 -0.000 0.000 0.255 466 E C 0.335 176.939 176.600 0.006 0.000 1.099 466 E CA -0.998 55.407 56.400 0.007 0.000 0.929 466 E CB 1.104 30.808 29.700 0.007 0.000 1.203 466 E HN 0.655 nan 8.360 nan 0.000 0.459 467 G N 0.000 108.803 108.800 0.005 0.000 5.446 467 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 467 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 467 G CA 0.000 nan 45.100 nan 0.000 0.502 467 G HN 0.000 nan 8.290 nan 0.000 0.925