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 2d7p_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGSDD ARRLTVTSLQ ETGLKVNQPA SFAVQLNGAR GVIDARVHTP DATA SEQUENCE SGAVEECYVS ELDSDKHTIR FIPHENGVHS IDVKFNGAHI PGSPFKIRVG DATA SEQUENCE EQSQAGSGPS SG 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 1 G C 0.000 174.904 174.900 0.006 0.000 0.946 1 G CA 0.000 45.103 45.100 0.006 0.000 0.502 2 S N -0.024 115.679 115.700 0.005 0.000 2.345 2 S HA 0.094 4.567 4.470 0.006 0.000 0.219 2 S C 0.358 174.962 174.600 0.006 0.000 1.031 2 S CA 0.697 58.900 58.200 0.005 0.000 0.984 2 S CB 0.423 63.626 63.200 0.005 0.000 0.874 2 S HN 0.009 8.322 8.310 0.005 0.000 0.451 3 S N 0.633 116.337 115.700 0.006 0.000 2.592 3 S HA 0.035 4.509 4.470 0.006 0.000 0.271 3 S C -1.038 173.566 174.600 0.007 0.000 1.326 3 S CA 0.441 58.645 58.200 0.006 0.000 1.024 3 S CB 0.566 63.769 63.200 0.006 0.000 0.921 3 S HN -0.381 7.932 8.310 0.005 0.000 0.527 4 G N 1.516 110.321 108.800 0.008 0.000 2.655 4 G HA2 -0.189 3.776 3.960 0.010 0.000 0.680 4 G HA3 -0.189 3.776 3.960 0.010 0.000 0.680 4 G C -1.375 173.532 174.900 0.010 0.000 1.302 4 G CA -0.796 44.309 45.100 0.009 0.000 0.872 4 G HN -0.178 8.117 8.290 0.008 0.000 0.540 5 S N -0.348 115.360 115.700 0.012 0.000 2.707 5 S HA 0.152 4.629 4.470 0.013 0.000 0.276 5 S C -0.424 174.185 174.600 0.015 0.000 1.179 5 S CA -0.365 57.843 58.200 0.014 0.000 0.992 5 S CB 0.884 64.094 63.200 0.016 0.000 1.030 5 S HN -0.017 8.301 8.310 0.013 0.000 0.554 6 S N 1.955 117.665 115.700 0.016 0.000 2.448 6 S HA 0.113 4.592 4.470 0.015 0.000 0.279 6 S C 0.203 174.815 174.600 0.021 0.000 1.195 6 S CA 0.244 58.454 58.200 0.017 0.000 1.051 6 S CB 0.351 63.560 63.200 0.016 0.000 0.948 6 S HN 0.138 8.458 8.310 0.016 0.000 0.493 7 G N 3.162 111.975 108.800 0.020 0.000 2.468 7 G HA2 0.363 4.341 3.960 0.029 0.000 0.320 7 G HA3 0.363 4.337 3.960 0.023 0.000 0.320 7 G C -0.999 173.916 174.900 0.026 0.000 1.137 7 G CA -0.134 44.980 45.100 0.025 0.000 0.984 7 G HN 0.544 8.845 8.290 0.018 0.000 0.462 8 S N 1.968 117.687 115.700 0.032 0.000 3.066 8 S HA 0.071 4.557 4.470 0.028 0.000 0.235 8 S C -0.855 173.771 174.600 0.044 0.000 0.995 8 S CA 0.234 58.454 58.200 0.033 0.000 0.835 8 S CB 0.978 64.197 63.200 0.031 0.000 0.814 8 S HN 0.592 8.923 8.310 0.036 0.000 0.594 9 D N -0.130 120.304 120.400 0.056 0.000 2.812 9 D HA 0.065 4.753 4.640 0.080 0.000 0.210 9 D C -1.358 175.003 176.300 0.102 0.000 1.260 9 D CA -0.403 53.645 54.000 0.080 0.000 0.817 9 D CB 2.207 43.056 40.800 0.082 0.000 1.694 9 D HN -0.618 7.783 8.370 0.053 0.000 0.530 10 D N 1.549 122.039 120.400 0.150 0.000 2.317 10 D HA -0.122 4.587 4.640 0.115 0.000 0.211 10 D C 0.975 177.377 176.300 0.170 0.000 0.966 10 D CA 1.876 55.982 54.000 0.176 0.000 0.876 10 D CB -0.109 40.846 40.800 0.258 0.000 0.927 10 D HN 0.487 8.952 8.370 0.158 0.000 0.519 11 A N 0.203 123.163 122.820 0.233 0.000 2.019 11 A HA -0.157 4.178 4.320 0.026 0.000 0.219 11 A C 1.672 179.279 177.584 0.040 0.000 1.164 11 A CA 2.605 54.730 52.037 0.148 0.000 0.644 11 A CB -0.612 18.522 19.000 0.223 0.000 0.805 11 A HN 0.358 8.615 8.150 0.252 0.045 0.449 12 R N -2.190 118.345 120.500 0.059 0.000 2.241 12 R HA -0.231 4.136 4.340 0.045 0.000 0.224 12 R C 1.399 177.713 176.300 0.024 0.000 1.101 12 R CA 1.974 58.100 56.100 0.042 0.000 0.995 12 R CB -0.841 29.486 30.300 0.045 0.000 0.870 12 R HN -0.510 7.783 8.270 0.082 0.026 0.463 13 R N -2.786 117.716 120.500 0.004 0.000 2.200 13 R HA -0.067 4.275 4.340 0.004 0.000 0.208 13 R C -0.390 175.884 176.300 -0.044 0.000 1.033 13 R CA 0.916 57.008 56.100 -0.014 0.000 1.000 13 R CB 0.245 30.537 30.300 -0.013 0.000 0.906 13 R HN -0.391 7.703 8.270 0.009 0.182 0.462 14 L N -1.556 119.614 121.223 -0.088 0.000 2.455 14 L HA 0.069 4.568 4.340 -0.126 -0.235 0.272 14 L C 0.223 177.103 176.870 0.018 0.000 1.174 14 L CA 0.426 55.208 54.840 -0.096 0.000 0.869 14 L CB -0.063 41.891 42.059 -0.174 0.000 1.130 14 L HN -0.595 7.413 8.230 -0.097 0.164 0.474 15 T N 0.408 114.978 114.554 0.026 0.000 2.841 15 T HA 0.299 4.712 4.350 0.104 0.000 0.296 15 T C -1.930 172.783 174.700 0.022 0.000 1.166 15 T CA -1.766 60.363 62.100 0.048 0.000 1.007 15 T CB 2.943 71.822 68.868 0.019 0.000 1.253 15 T HN 0.502 8.740 8.240 -0.003 0.000 0.511 16 V N 1.763 121.642 119.914 -0.058 0.000 2.668 16 V HA 0.391 4.499 4.120 -0.020 0.000 0.304 16 V C -0.701 175.294 176.094 -0.165 0.000 1.071 16 V CA -0.899 61.329 62.300 -0.121 0.000 0.894 16 V CB 3.167 34.814 31.823 -0.293 0.000 1.008 16 V HN 0.295 8.442 8.190 -0.072 0.000 0.425 17 T N 6.460 120.958 114.554 -0.093 0.000 3.221 17 T HA 0.203 4.480 4.350 -0.121 0.000 0.250 17 T C 1.378 176.025 174.700 -0.088 0.000 0.988 17 T CA 0.098 62.143 62.100 -0.092 0.000 1.163 17 T CB 0.581 69.421 68.868 -0.048 0.000 1.098 17 T HN 0.721 8.938 8.240 -0.038 0.000 0.422 18 S N 0.867 116.550 115.700 -0.029 0.000 2.399 18 S HA -0.262 4.201 4.470 -0.012 0.000 0.235 18 S C 0.291 174.858 174.600 -0.055 0.000 1.063 18 S CA 2.241 60.440 58.200 -0.001 0.000 1.070 18 S CB -0.032 63.215 63.200 0.078 0.000 0.904 18 S HN -0.017 8.291 8.310 -0.004 0.000 0.456 19 L N 0.270 121.392 121.223 -0.168 0.000 2.593 19 L HA -0.187 3.880 4.340 -0.456 0.000 0.287 19 L C -0.804 175.894 176.870 -0.288 0.000 1.243 19 L CA 1.126 55.687 54.840 -0.464 0.000 0.890 19 L CB 0.806 42.289 42.059 -0.960 0.000 1.134 19 L HN -0.438 7.708 8.230 -0.124 0.010 0.502 20 Q N 5.895 125.559 119.800 -0.228 0.000 2.431 20 Q HA 0.133 4.399 4.340 -0.124 0.000 0.249 20 Q C 0.424 176.348 176.000 -0.126 0.000 1.025 20 Q CA -0.920 54.802 55.803 -0.136 0.000 0.835 20 Q CB 0.637 29.329 28.738 -0.078 0.000 1.207 20 Q HN 0.219 8.343 8.270 -0.243 0.000 0.490 21 E N 5.029 125.159 120.200 -0.118 0.000 2.048 21 E HA -0.418 3.878 4.350 -0.090 0.000 0.202 21 E C -0.684 175.893 176.600 -0.040 0.000 1.021 21 E CA 2.983 59.336 56.400 -0.078 0.000 0.825 21 E CB 0.459 30.124 29.700 -0.058 0.000 0.756 21 E HN 0.276 8.562 8.360 -0.124 0.000 0.454 22 T N -8.937 105.597 114.554 -0.033 0.000 2.812 22 T HA 0.281 4.626 4.350 -0.009 0.000 0.282 22 T C -0.356 174.333 174.700 -0.019 0.000 0.990 22 T CA -1.399 60.690 62.100 -0.017 0.000 0.960 22 T CB 1.604 70.466 68.868 -0.009 0.000 0.948 22 T HN -0.650 7.566 8.240 -0.041 0.000 0.438 23 G N 5.818 114.611 108.800 -0.012 0.000 3.033 23 G HA2 -0.114 3.841 3.960 -0.008 0.000 0.208 23 G HA3 -0.114 4.012 3.960 -0.017 -0.177 0.208 23 G C -1.018 173.877 174.900 -0.008 0.000 1.006 23 G CA -0.070 45.023 45.100 -0.012 0.000 0.808 23 G HN -0.055 8.231 8.290 -0.007 0.000 0.499 24 L N 1.446 122.665 121.223 -0.007 0.000 2.455 24 L HA -0.049 4.290 4.340 -0.002 0.000 0.272 24 L C -0.348 176.523 176.870 0.001 0.000 1.174 24 L CA 0.469 55.310 54.840 0.000 0.000 0.869 24 L CB -0.116 41.951 42.059 0.013 0.000 1.130 24 L HN -0.015 8.209 8.230 -0.010 0.000 0.474 25 K N 3.182 123.582 120.400 -0.000 0.000 2.393 25 K HA 0.212 4.534 4.320 0.003 0.000 0.241 25 K C -0.648 175.950 176.600 -0.002 0.000 1.055 25 K CA -1.208 55.079 56.287 0.000 0.000 0.951 25 K CB 2.087 34.586 32.500 -0.002 0.000 1.285 25 K HN -0.172 8.078 8.250 -0.001 0.000 0.500 26 V N -0.590 119.324 119.914 0.001 0.000 2.953 26 V HA -0.251 3.867 4.120 -0.003 0.000 0.304 26 V C 0.253 176.339 176.094 -0.013 0.000 1.073 26 V CA 0.085 62.385 62.300 -0.000 0.000 1.064 26 V CB 0.952 32.784 31.823 0.014 0.000 1.047 26 V HN -0.103 8.089 8.190 0.004 0.000 0.478 27 N N 3.252 121.934 118.700 -0.029 0.000 2.693 27 N HA -0.466 4.217 4.740 -0.095 0.000 0.249 27 N C -1.534 173.953 175.510 -0.039 0.000 1.119 27 N CA 1.459 54.475 53.050 -0.056 0.000 0.717 27 N CB -1.047 37.409 38.487 -0.052 0.000 1.071 27 N HN 0.082 8.447 8.380 -0.025 0.000 0.555 28 Q N -2.124 117.663 119.800 -0.022 0.000 2.312 28 Q HA 0.460 4.785 4.340 -0.026 0.000 0.263 28 Q C -2.227 173.765 176.000 -0.014 0.000 0.995 28 Q CA -3.065 52.727 55.803 -0.018 0.000 0.853 28 Q CB 1.692 30.423 28.738 -0.012 0.000 1.300 28 Q HN -0.505 7.715 8.270 -0.013 0.042 0.448 29 P HA 0.046 4.439 4.420 -0.045 0.000 0.269 29 P C -1.921 175.336 177.300 -0.071 0.000 1.263 29 P CA -0.128 62.942 63.100 -0.050 0.000 0.813 29 P CB -0.600 31.065 31.700 -0.058 0.000 0.868 30 A N 6.623 129.375 122.820 -0.114 0.000 2.258 30 A HA 0.356 4.636 4.320 -0.066 0.000 0.316 30 A C -1.642 175.728 177.584 -0.356 0.000 1.279 30 A CA -0.984 50.962 52.037 -0.151 0.000 0.876 30 A CB 1.576 20.546 19.000 -0.050 0.000 1.170 30 A HN 0.003 8.092 8.150 -0.101 0.000 0.520 31 S N 3.362 118.968 115.700 -0.157 0.000 2.541 31 S HA 0.987 5.218 4.470 -0.633 -0.141 0.280 31 S C -1.159 173.454 174.600 0.021 0.000 1.112 31 S CA -1.218 56.823 58.200 -0.265 0.000 0.925 31 S CB 2.927 65.995 63.200 -0.221 0.000 1.067 31 S HN 0.105 8.386 8.310 -0.048 0.000 0.479 32 F N -2.799 117.068 119.950 -0.138 0.000 2.715 32 F HA 0.345 4.828 4.527 -0.074 0.000 0.318 32 F C -2.385 173.396 175.800 -0.032 0.000 1.141 32 F CA -1.978 55.975 58.000 -0.077 0.000 0.950 32 F CB 0.974 39.929 39.000 -0.075 0.000 1.374 32 F HN -0.195 7.523 8.300 -0.971 0.000 0.477 33 A N -1.031 121.881 122.820 0.154 0.000 2.330 33 A HA 0.800 5.299 4.320 0.019 -0.168 0.327 33 A C -1.287 176.373 177.584 0.127 0.000 1.155 33 A CA -1.502 50.580 52.037 0.076 0.000 0.803 33 A CB 2.339 21.364 19.000 0.042 0.000 1.208 33 A HN 0.169 8.447 8.150 0.212 0.000 0.477 34 V N 2.663 122.640 119.914 0.104 0.000 2.294 34 V HA 0.333 4.657 4.120 0.122 -0.130 0.272 34 V C -0.748 175.377 176.094 0.052 0.000 1.027 34 V CA -2.243 60.123 62.300 0.110 0.000 0.823 34 V CB -0.233 31.673 31.823 0.137 0.000 1.030 34 V HN 0.107 8.348 8.190 0.084 0.000 0.457 35 Q N 7.626 127.441 119.800 0.024 0.000 2.352 35 Q HA 0.013 4.348 4.340 -0.008 0.000 0.260 35 Q C -0.141 175.831 176.000 -0.045 0.000 0.976 35 Q CA 0.194 55.993 55.803 -0.007 0.000 0.881 35 Q CB 1.246 29.980 28.738 -0.007 0.000 1.235 35 Q HN -0.249 8.040 8.270 0.033 0.000 0.419 36 L N 5.431 126.616 121.223 -0.063 0.000 2.357 36 L HA 0.042 4.252 4.340 -0.217 0.000 0.211 36 L C 0.500 177.324 176.870 -0.075 0.000 1.075 36 L CA 0.754 55.519 54.840 -0.124 0.000 0.830 36 L CB 0.470 42.469 42.059 -0.100 0.000 0.996 36 L HN 0.793 8.999 8.230 -0.040 0.000 0.467 37 N N -4.109 114.570 118.700 -0.035 0.000 2.754 37 N HA -0.386 4.348 4.740 -0.010 0.000 0.248 37 N C -0.190 175.318 175.510 -0.003 0.000 1.093 37 N CA 1.153 54.194 53.050 -0.016 0.000 0.699 37 N CB -1.610 36.869 38.487 -0.014 0.000 1.016 37 N HN 0.257 8.619 8.380 -0.030 0.000 0.552 38 G N -5.732 103.071 108.800 0.005 0.000 2.339 38 G HA2 -0.339 3.636 3.960 0.026 0.000 0.209 38 G HA3 -0.339 3.636 3.960 0.026 0.000 0.209 38 G C -1.080 173.853 174.900 0.055 0.000 1.015 38 G CA -0.325 44.791 45.100 0.026 0.000 0.635 38 G HN 0.252 8.531 8.290 -0.001 0.010 0.499 39 A N 0.809 123.657 122.820 0.048 0.000 2.492 39 A HA -0.045 4.395 4.320 0.200 0.000 0.236 39 A C -0.529 177.203 177.584 0.246 0.000 1.078 39 A CA 0.768 52.891 52.037 0.143 0.000 0.773 39 A CB 0.654 19.632 19.000 -0.036 0.000 1.023 39 A HN -0.635 7.348 8.150 -0.000 0.167 0.504 40 R N 1.093 121.863 120.500 0.451 0.000 2.531 40 R HA 0.141 4.699 4.340 0.363 0.000 0.293 40 R C -1.303 175.184 176.300 0.311 0.000 1.124 40 R CA -0.269 56.052 56.100 0.367 0.000 0.945 40 R CB 0.384 30.782 30.300 0.164 0.000 1.195 40 R HN 0.196 8.774 8.270 0.514 0.000 0.433 41 G N 0.900 109.918 108.800 0.364 0.000 2.474 41 G HA2 0.246 4.127 3.960 -0.131 0.000 0.234 41 G HA3 0.246 3.734 3.960 -0.940 -0.091 0.234 41 G C -2.982 171.985 174.900 0.113 0.000 1.204 41 G CA 0.575 45.584 45.100 -0.152 0.000 0.939 41 G HN -0.148 8.500 8.290 0.597 0.000 0.491 42 V N 1.500 121.350 119.914 -0.107 0.000 2.555 42 V HA 0.290 4.409 4.120 -0.002 0.000 0.302 42 V C -1.112 175.001 176.094 0.032 0.000 1.038 42 V CA -1.099 61.182 62.300 -0.031 0.000 0.887 42 V CB 3.170 34.937 31.823 -0.093 0.000 0.991 42 V HN -0.347 7.822 8.190 -0.426 -0.234 0.434 43 I N 5.933 126.405 120.570 -0.164 0.000 2.330 43 I HA 0.437 4.874 4.170 0.123 -0.194 0.289 43 I C -1.006 175.042 176.117 -0.116 0.000 1.001 43 I CA -1.941 59.314 61.300 -0.075 0.000 1.193 43 I CB 0.267 38.184 38.000 -0.139 0.000 1.345 43 I HN 0.266 8.165 8.210 -0.518 0.000 0.461 44 D N 9.158 129.535 120.400 -0.039 0.000 2.280 44 D HA 0.237 4.840 4.640 -0.063 0.000 0.236 44 D C -2.080 174.220 176.300 0.001 0.000 1.082 44 D CA -0.731 53.245 54.000 -0.040 0.000 0.834 44 D CB 2.324 43.099 40.800 -0.042 0.000 1.100 44 D HN -0.249 8.122 8.370 0.001 0.000 0.486 45 A N 3.117 125.947 122.820 0.016 0.000 2.318 45 A HA 0.673 5.223 4.320 0.089 -0.176 0.324 45 A C -1.424 176.183 177.584 0.038 0.000 1.170 45 A CA -1.509 50.570 52.037 0.070 0.000 0.810 45 A CB 2.598 21.677 19.000 0.133 0.000 1.198 45 A HN 0.413 8.559 8.150 -0.006 0.000 0.484 46 R N 1.526 122.037 120.500 0.019 0.000 2.508 46 R HA 0.348 4.651 4.340 -0.061 0.000 0.283 46 R C -1.876 174.373 176.300 -0.084 0.000 1.120 46 R CA -0.338 55.733 56.100 -0.050 0.000 0.958 46 R CB 4.019 34.285 30.300 -0.056 0.000 1.215 46 R HN -0.220 8.080 8.270 0.049 0.000 0.427 47 V N -0.783 119.027 119.914 -0.174 0.000 2.644 47 V HA 0.621 4.915 4.120 -0.056 -0.207 0.295 47 V C -1.147 174.835 176.094 -0.186 0.000 1.053 47 V CA -2.325 59.887 62.300 -0.145 0.000 0.987 47 V CB 1.938 33.630 31.823 -0.219 0.000 1.006 47 V HN 0.367 8.455 8.190 -0.170 0.000 0.472 48 H N 4.318 123.355 119.070 -0.054 0.000 2.587 48 H HA 0.435 4.946 4.556 -0.074 0.000 0.325 48 H C 0.712 175.917 175.328 -0.206 0.000 1.012 48 H CA -1.099 54.895 56.048 -0.090 0.000 1.213 48 H CB 1.967 31.689 29.762 -0.068 0.000 1.431 48 H HN -0.174 8.197 8.280 0.152 0.000 0.492 49 T N 3.207 117.683 114.554 -0.131 0.000 2.918 49 T HA 0.243 4.256 4.350 -0.561 0.000 0.302 49 T C -0.126 174.459 174.700 -0.191 0.000 1.045 49 T CA -1.689 60.258 62.100 -0.255 0.000 1.114 49 T CB -0.037 68.758 68.868 -0.123 0.000 0.965 49 T HN -0.176 8.003 8.240 -0.101 0.000 0.540 50 P HA 0.099 4.458 4.420 -0.102 0.000 0.234 50 P C -0.215 177.051 177.300 -0.058 0.000 1.167 50 P CA 1.075 64.104 63.100 -0.118 0.000 0.763 50 P CB 0.276 31.919 31.700 -0.095 0.000 0.835 51 S N -0.769 114.900 115.700 -0.052 0.000 2.355 51 S HA -0.051 4.408 4.470 -0.018 0.000 0.216 51 S C 0.628 175.216 174.600 -0.020 0.000 1.037 51 S CA 1.079 59.264 58.200 -0.026 0.000 0.955 51 S CB 1.439 64.628 63.200 -0.018 0.000 0.877 51 S HN 0.047 8.231 8.310 -0.073 0.082 0.488 52 G N 0.366 109.154 108.800 -0.021 0.000 2.925 52 G HA2 -0.173 3.791 3.960 0.006 0.000 0.224 52 G HA3 -0.173 3.783 3.960 -0.006 0.000 0.224 52 G C -2.076 172.818 174.900 -0.009 0.000 1.015 52 G CA -0.003 45.093 45.100 -0.006 0.000 1.026 52 G HN -0.724 7.546 8.290 -0.033 0.000 0.608 53 A N 0.889 123.692 122.820 -0.027 0.000 2.343 53 A HA 0.492 4.790 4.320 -0.037 0.000 0.308 53 A C -1.824 175.705 177.584 -0.091 0.000 1.092 53 A CA -0.765 51.241 52.037 -0.050 0.000 0.751 53 A CB 2.645 21.607 19.000 -0.065 0.000 1.203 53 A HN -0.224 7.905 8.150 -0.035 0.000 0.452 54 V N 4.412 124.259 119.914 -0.111 0.000 2.387 54 V HA -0.076 3.803 4.120 -0.401 0.000 0.260 54 V C -0.049 175.922 176.094 -0.205 0.000 1.054 54 V CA 0.416 62.574 62.300 -0.237 0.000 0.967 54 V CB -0.521 31.188 31.823 -0.190 0.000 1.036 54 V HN 0.425 8.572 8.190 -0.072 0.000 0.481 55 E N 9.426 129.490 120.200 -0.227 0.000 2.312 55 E HA 0.195 4.470 4.350 -0.126 0.000 0.259 55 E C -1.009 175.517 176.600 -0.123 0.000 1.122 55 E CA -1.555 54.756 56.400 -0.148 0.000 0.922 55 E CB 1.678 31.310 29.700 -0.113 0.000 1.109 55 E HN -0.135 8.054 8.360 -0.284 0.000 0.442 56 E N -0.839 119.332 120.200 -0.048 0.000 2.263 56 E HA 0.191 4.519 4.350 -0.036 0.000 0.264 56 E C -0.772 175.870 176.600 0.071 0.000 0.923 56 E CA -1.309 55.087 56.400 -0.006 0.000 0.802 56 E CB 2.251 31.957 29.700 0.009 0.000 1.228 56 E HN 0.128 8.470 8.360 -0.031 0.000 0.417 57 C N -1.263 118.098 119.300 0.101 0.000 2.803 57 C HA 0.340 4.972 4.460 0.288 0.000 0.389 57 C C -1.339 173.779 174.990 0.213 0.000 1.433 57 C CA -1.465 57.684 59.018 0.217 0.000 1.714 57 C CB 3.398 31.301 27.740 0.271 0.000 2.106 57 C HN -0.047 8.217 8.230 0.057 0.000 0.480 58 Y N 2.759 123.110 120.300 0.085 0.000 2.345 58 Y HA 0.164 4.731 4.550 0.028 0.000 0.331 58 Y C -2.195 173.705 175.900 -0.000 0.000 0.959 58 Y CA -0.563 57.555 58.100 0.029 0.000 1.204 58 Y CB 1.893 40.363 38.460 0.016 0.000 1.135 58 Y HN -0.029 8.443 8.280 0.319 0.000 0.477 59 V N 9.167 128.924 119.914 -0.263 0.000 2.385 59 V HA 0.546 4.879 4.120 -0.068 -0.254 0.277 59 V C -1.238 174.721 176.094 -0.225 0.000 1.012 59 V CA -1.843 60.358 62.300 -0.165 0.000 0.832 59 V CB 1.117 32.869 31.823 -0.119 0.000 1.028 59 V HN 0.159 8.108 8.190 -0.401 0.000 0.436 60 S N 7.784 123.392 115.700 -0.154 0.000 2.598 60 S HA -0.081 4.262 4.470 -0.213 0.000 0.256 60 S C 0.218 174.841 174.600 0.038 0.000 1.350 60 S CA 0.022 58.166 58.200 -0.094 0.000 0.984 60 S CB 1.081 64.287 63.200 0.012 0.000 0.930 60 S HN 0.290 8.560 8.310 -0.067 0.000 0.577 61 E N 0.219 120.441 120.200 0.035 0.000 2.442 61 E HA -0.204 4.220 4.350 0.123 0.000 0.260 61 E C 0.063 176.736 176.600 0.122 0.000 1.148 61 E CA 0.567 57.022 56.400 0.093 0.000 0.976 61 E CB 0.433 30.157 29.700 0.040 0.000 0.967 61 E HN 0.030 8.389 8.360 -0.000 0.000 0.454 62 L N 1.544 122.850 121.223 0.139 0.000 2.513 62 L HA -0.229 3.745 4.340 -0.807 -0.118 0.272 62 L C -0.902 175.873 176.870 -0.158 0.000 1.187 62 L CA 1.147 55.860 54.840 -0.211 0.000 0.895 62 L CB 0.234 42.234 42.059 -0.097 0.000 1.147 62 L HN 0.030 8.384 8.230 0.206 0.000 0.483 63 D N 6.097 126.365 120.400 -0.220 0.000 2.896 63 D HA 0.209 4.801 4.640 -0.079 0.000 0.241 63 D C -0.602 175.631 176.300 -0.112 0.000 1.188 63 D CA -0.591 53.341 54.000 -0.113 0.000 0.879 63 D CB 2.598 43.358 40.800 -0.067 0.000 1.553 63 D HN 0.165 8.313 8.370 -0.370 0.000 0.515 64 S N 3.756 119.413 115.700 -0.072 0.000 3.614 64 S HA -0.377 4.068 4.470 -0.041 0.000 0.360 64 S C -0.996 173.564 174.600 -0.067 0.000 1.023 64 S CA 1.001 59.168 58.200 -0.056 0.000 1.114 64 S CB -0.056 63.117 63.200 -0.044 0.000 0.907 64 S HN 0.752 9.028 8.310 -0.057 0.000 0.470 65 D N -2.489 117.861 120.400 -0.083 0.000 2.708 65 D HA -0.328 4.265 4.640 -0.078 0.000 0.236 65 D C -2.257 173.981 176.300 -0.104 0.000 1.146 65 D CA 1.606 55.560 54.000 -0.077 0.000 0.662 65 D CB -0.349 40.432 40.800 -0.033 0.000 1.059 65 D HN 0.413 8.722 8.370 -0.084 0.010 0.428 66 K N -6.274 114.008 120.400 -0.196 0.000 2.578 66 K HA 0.334 4.589 4.320 -0.108 0.000 0.287 66 K C -2.245 174.151 176.600 -0.341 0.000 1.010 66 K CA -1.034 55.148 56.287 -0.174 0.000 0.889 66 K CB 4.626 37.079 32.500 -0.078 0.000 1.514 66 K HN -0.520 7.482 8.250 -0.252 0.097 0.424 67 H N -0.902 118.168 119.070 -0.001 0.000 2.768 67 H HA 0.459 5.009 4.556 -0.009 0.000 0.371 67 H C -1.222 174.084 175.328 -0.036 0.000 1.151 67 H CA -0.895 55.148 56.048 -0.009 0.000 1.165 67 H CB 4.666 34.433 29.762 0.007 0.000 1.722 67 H HN -0.058 8.251 8.280 0.049 0.000 0.543 68 T N 5.202 119.804 114.554 0.081 0.000 2.807 68 T HA 0.614 5.087 4.350 -0.069 -0.164 0.279 68 T C -1.424 173.221 174.700 -0.092 0.000 0.993 68 T CA -0.255 61.826 62.100 -0.031 0.000 0.970 68 T CB 1.676 70.531 68.868 -0.020 0.000 0.950 68 T HN 0.404 8.720 8.240 0.125 0.000 0.441 69 I N 4.630 125.020 120.570 -0.299 0.000 2.460 69 I HA 0.786 5.080 4.170 -0.137 -0.207 0.298 69 I C -1.328 174.518 176.117 -0.452 0.000 0.989 69 I CA -2.944 58.138 61.300 -0.362 0.000 1.173 69 I CB 1.504 39.165 38.000 -0.565 0.000 1.338 69 I HN 0.480 8.437 8.210 -0.421 0.000 0.456 70 R N 5.087 125.459 120.500 -0.213 0.000 2.515 70 R HA 0.381 4.594 4.340 -0.477 -0.159 0.291 70 R C -2.039 174.230 176.300 -0.051 0.000 1.046 70 R CA -0.785 55.171 56.100 -0.241 0.000 0.914 70 R CB 2.913 33.167 30.300 -0.078 0.000 1.191 70 R HN 0.033 8.300 8.270 -0.006 0.000 0.435 71 F N 1.851 121.826 119.950 0.041 0.000 2.665 71 F HA 0.453 5.027 4.527 0.077 0.000 0.308 71 F C -2.874 172.969 175.800 0.073 0.000 1.112 71 F CA -1.058 56.988 58.000 0.078 0.000 0.972 71 F CB 1.986 41.050 39.000 0.107 0.000 1.295 71 F HN 0.387 8.274 8.300 -0.688 0.000 0.440 72 I N 1.386 122.164 120.570 0.346 0.000 2.404 72 I HA 0.566 4.986 4.170 0.183 -0.140 0.293 72 I C -1.661 174.597 176.117 0.234 0.000 0.992 72 I CA -3.505 57.920 61.300 0.208 0.000 1.149 72 I CB 3.889 41.918 38.000 0.048 0.000 1.315 72 I HN 0.549 8.963 8.210 0.339 0.000 0.446 73 P HA 0.228 4.686 4.420 0.063 0.000 0.268 73 P C -0.142 177.234 177.300 0.126 0.000 1.282 73 P CA -0.190 62.939 63.100 0.048 0.000 0.880 73 P CB -0.434 31.172 31.700 -0.157 0.000 0.971 74 H N 2.249 121.399 119.070 0.132 0.000 2.456 74 H HA -0.058 4.546 4.556 0.079 0.000 0.296 74 H C 0.258 175.655 175.328 0.114 0.000 1.079 74 H CA 2.315 58.429 56.048 0.109 0.000 1.322 74 H CB 0.543 30.366 29.762 0.101 0.000 1.388 74 H HN 0.264 8.854 8.280 0.516 0.000 0.538 75 E N -3.768 116.609 120.200 0.295 0.000 2.450 75 E HA 0.246 4.687 4.350 0.153 0.000 0.272 75 E C -1.905 174.843 176.600 0.246 0.000 0.967 75 E CA -1.646 54.889 56.400 0.224 0.000 0.818 75 E CB 3.542 33.358 29.700 0.193 0.000 1.401 75 E HN -0.376 8.198 8.360 0.411 0.032 0.450 76 N N -1.463 117.346 118.700 0.183 0.000 2.405 76 N HA -0.095 4.723 4.740 0.129 0.000 0.269 76 N C 0.028 175.673 175.510 0.224 0.000 1.249 76 N CA 0.390 53.536 53.050 0.160 0.000 0.974 76 N CB 1.096 39.638 38.487 0.091 0.000 1.204 76 N HN 0.061 8.526 8.380 0.141 0.000 0.565 77 G N -2.098 106.803 108.800 0.168 0.000 2.566 77 G HA2 -0.229 3.796 3.960 0.108 0.000 0.599 77 G HA3 -0.229 3.819 3.960 0.146 0.000 0.599 77 G C -1.988 173.056 174.900 0.240 0.000 1.292 77 G CA -0.668 44.530 45.100 0.163 0.000 0.922 77 G HN -0.261 8.101 8.290 0.120 0.000 0.514 78 V N 1.717 121.740 119.914 0.180 0.000 2.353 78 V HA 0.181 4.660 4.120 0.192 -0.243 0.264 78 V C 0.125 176.358 176.094 0.232 0.000 1.049 78 V CA -0.121 62.291 62.300 0.186 0.000 0.896 78 V CB -0.060 31.824 31.823 0.101 0.000 1.025 78 V HN 0.107 8.368 8.190 0.118 0.000 0.475 79 H N 7.107 126.206 119.070 0.048 0.000 2.546 79 H HA 0.189 4.773 4.556 0.047 0.000 0.365 79 H C -0.177 175.179 175.328 0.046 0.000 1.220 79 H CA -0.194 55.879 56.048 0.042 0.000 1.386 79 H CB 1.531 31.303 29.762 0.017 0.000 1.510 79 H HN -0.424 8.109 8.280 0.422 0.000 0.591 80 S N 0.761 116.555 115.700 0.157 0.000 2.498 80 S HA 0.237 4.772 4.470 0.109 0.000 0.324 80 S C -1.404 173.287 174.600 0.151 0.000 1.071 80 S CA -0.408 57.864 58.200 0.119 0.000 1.113 80 S CB 0.529 63.750 63.200 0.035 0.000 0.976 80 S HN 0.020 8.417 8.310 0.146 0.000 0.462 81 I N 7.119 127.774 120.570 0.141 0.000 2.322 81 I HA 0.010 4.342 4.170 0.069 -0.121 0.292 81 I C -1.410 174.795 176.117 0.147 0.000 1.060 81 I CA -2.583 58.804 61.300 0.146 0.000 1.309 81 I CB -1.359 36.805 38.000 0.272 0.000 1.415 81 I HN -0.281 8.024 8.210 0.158 0.000 0.492 82 D N 8.434 128.918 120.400 0.140 0.000 2.393 82 D HA 0.083 4.781 4.640 0.096 0.000 0.232 82 D C -1.156 175.175 176.300 0.052 0.000 1.192 82 D CA -0.607 53.458 54.000 0.108 0.000 0.882 82 D CB 0.647 41.544 40.800 0.162 0.000 1.038 82 D HN 0.628 8.965 8.370 0.135 0.114 0.499 83 V N 6.939 126.862 119.914 0.014 0.000 2.328 83 V HA 0.483 4.857 4.120 0.053 -0.223 0.278 83 V C -1.092 174.937 176.094 -0.109 0.000 1.021 83 V CA -0.785 61.529 62.300 0.024 0.000 0.838 83 V CB 1.075 32.990 31.823 0.154 0.000 0.999 83 V HN -0.603 7.581 8.190 -0.009 0.000 0.447 84 K N 5.825 126.161 120.400 -0.105 0.000 2.281 84 K HA 0.487 4.778 4.320 -0.220 -0.102 0.242 84 K C -1.957 174.698 176.600 0.092 0.000 0.971 84 K CA -1.802 54.400 56.287 -0.141 0.000 0.834 84 K CB 4.206 36.563 32.500 -0.238 0.000 1.181 84 K HN -0.314 7.907 8.250 -0.048 0.000 0.435 85 F N 1.080 120.979 119.950 -0.086 0.000 2.579 85 F HA 0.442 5.157 4.527 -0.044 -0.214 0.325 85 F C -1.141 174.644 175.800 -0.025 0.000 1.162 85 F CA -1.597 56.380 58.000 -0.038 0.000 0.946 85 F CB 2.714 41.712 39.000 -0.003 0.000 1.211 85 F HN 0.085 8.338 8.300 0.106 0.111 0.447 86 N N 6.047 124.470 118.700 -0.462 0.000 2.698 86 N HA -0.319 4.242 4.740 -0.299 0.000 0.258 86 N C 0.234 175.644 175.510 -0.167 0.000 0.978 86 N CA 1.000 53.824 53.050 -0.378 0.000 0.777 86 N CB -0.376 37.778 38.487 -0.555 0.000 0.907 86 N HN 0.262 8.365 8.380 -0.460 0.000 0.543 87 G N -6.168 102.576 108.800 -0.093 0.000 2.324 87 G HA2 -0.450 3.499 3.960 -0.018 0.000 0.292 87 G HA3 -0.450 3.491 3.960 -0.032 0.000 0.292 87 G C -1.763 173.145 174.900 0.014 0.000 1.079 87 G CA 0.426 45.508 45.100 -0.030 0.000 1.026 87 G HN 0.332 8.564 8.290 -0.099 -0.001 0.506 88 A N 0.330 123.172 122.820 0.038 0.000 2.513 88 A HA 0.078 4.467 4.320 0.114 0.000 0.285 88 A C -1.933 175.712 177.584 0.103 0.000 1.047 88 A CA -1.129 50.966 52.037 0.097 0.000 0.864 88 A CB 1.816 20.882 19.000 0.110 0.000 1.373 88 A HN -0.245 7.911 8.150 0.010 0.000 0.403 89 H N 5.279 124.374 119.070 0.041 0.000 2.929 89 H HA -0.037 4.536 4.556 0.028 0.000 0.317 89 H C 1.014 176.350 175.328 0.015 0.000 1.031 89 H CA 1.298 57.357 56.048 0.019 0.000 1.466 89 H CB 0.611 30.364 29.762 -0.015 0.000 1.482 89 H HN 0.285 8.742 8.280 0.295 0.000 0.561 90 I N 1.988 122.593 120.570 0.058 0.000 2.779 90 I HA 0.304 4.511 4.170 0.062 0.000 0.285 90 I C -1.134 174.980 176.117 -0.006 0.000 1.134 90 I CA -2.052 59.269 61.300 0.035 0.000 1.398 90 I CB -0.262 37.753 38.000 0.026 0.000 1.404 90 I HN -0.208 7.997 8.210 -0.008 0.000 0.587 91 P HA -0.000 4.415 4.420 -0.008 0.000 0.268 91 P C -0.249 177.033 177.300 -0.031 0.000 1.282 91 P CA 0.458 63.559 63.100 0.001 0.000 0.880 91 P CB -1.286 30.434 31.700 0.033 0.000 0.971 92 G N 3.892 112.617 108.800 -0.125 0.000 2.480 92 G HA2 -0.184 3.736 3.960 -0.067 0.000 0.193 92 G HA3 -0.184 3.730 3.960 -0.077 0.000 0.193 92 G C -0.984 173.573 174.900 -0.573 0.000 1.004 92 G CA -0.313 44.667 45.100 -0.199 0.000 0.696 92 G HN -0.113 8.110 8.290 -0.112 0.000 0.478 93 S N 3.192 118.500 115.700 -0.653 0.000 2.610 93 S HA 0.375 4.425 4.470 -0.874 -0.105 0.273 93 S C -1.683 172.797 174.600 -0.200 0.000 1.274 93 S CA -1.773 56.069 58.200 -0.596 0.000 1.023 93 S CB 0.980 63.924 63.200 -0.426 0.000 0.962 93 S HN -0.668 7.373 8.310 -0.448 0.000 0.523 94 P HA 0.163 4.691 4.420 -0.126 -0.183 0.271 94 P C -1.110 176.115 177.300 -0.126 0.000 1.216 94 P CA -0.543 62.492 63.100 -0.110 0.000 0.776 94 P CB 0.600 32.296 31.700 -0.008 0.000 0.881 95 F N 3.555 123.545 119.950 0.067 0.000 2.466 95 F HA -0.046 4.499 4.527 0.031 0.000 0.363 95 F C 0.619 176.441 175.800 0.037 0.000 1.109 95 F CA -0.454 57.571 58.000 0.042 0.000 1.161 95 F CB -0.011 39.009 39.000 0.033 0.000 1.117 95 F HN -0.372 7.949 8.300 0.035 0.000 0.539 96 K N 6.115 126.642 120.400 0.212 0.000 2.349 96 K HA 0.210 4.782 4.320 0.130 -0.174 0.289 96 K C -0.338 176.332 176.600 0.116 0.000 1.064 96 K CA -0.672 55.697 56.287 0.135 0.000 0.947 96 K CB -0.725 31.830 32.500 0.092 0.000 1.007 96 K HN 0.309 8.687 8.250 0.214 0.000 0.478 97 I N -0.460 120.177 120.570 0.111 0.000 2.389 97 I HA 0.328 4.521 4.170 0.039 0.000 0.288 97 I C -1.295 174.863 176.117 0.070 0.000 0.999 97 I CA -1.743 59.598 61.300 0.070 0.000 1.129 97 I CB 2.526 40.568 38.000 0.071 0.000 1.288 97 I HN -0.389 7.902 8.210 0.135 0.000 0.444 98 R N 7.394 127.920 120.500 0.045 0.000 2.296 98 R HA 0.114 4.494 4.340 0.066 0.000 0.323 98 R C -1.427 174.892 176.300 0.031 0.000 1.067 98 R CA -0.210 55.917 56.100 0.045 0.000 0.946 98 R CB 0.566 30.885 30.300 0.031 0.000 0.991 98 R HN -0.127 8.160 8.270 0.029 0.000 0.448 99 V N 6.616 126.553 119.914 0.037 0.000 2.311 99 V HA 0.354 4.690 4.120 0.002 -0.215 0.275 99 V C -1.141 174.970 176.094 0.027 0.000 1.022 99 V CA -0.733 61.573 62.300 0.010 0.000 0.830 99 V CB 0.639 32.428 31.823 -0.056 0.000 1.012 99 V HN -0.339 7.892 8.190 0.069 0.000 0.452 100 G N 7.389 116.200 108.800 0.018 0.000 2.768 100 G HA2 -0.209 3.760 3.960 0.015 0.000 0.666 100 G HA3 -0.209 3.768 3.960 0.028 0.000 0.666 100 G C -2.105 172.806 174.900 0.018 0.000 1.162 100 G CA -0.552 44.561 45.100 0.021 0.000 1.226 100 G HN 0.400 8.697 8.290 0.012 0.000 0.535 101 E N 1.343 121.550 120.200 0.012 0.000 2.301 101 E HA 0.061 4.417 4.350 0.011 0.000 0.275 101 E C -0.309 176.296 176.600 0.009 0.000 1.030 101 E CA -0.847 55.558 56.400 0.009 0.000 0.852 101 E CB 0.601 30.303 29.700 0.004 0.000 1.060 101 E HN -0.012 8.353 8.360 0.009 0.000 0.401 102 Q N 2.468 122.274 119.800 0.009 0.000 2.331 102 Q HA 0.050 4.395 4.340 0.009 0.000 0.257 102 Q C -0.227 175.776 176.000 0.006 0.000 0.957 102 Q CA -0.942 54.866 55.803 0.008 0.000 0.923 102 Q CB 0.875 29.619 28.738 0.009 0.000 1.212 102 Q HN 0.231 8.507 8.270 0.009 0.000 0.443 103 S N 4.161 119.864 115.700 0.005 0.000 2.714 103 S HA -0.236 4.235 4.470 0.002 0.000 0.318 103 S C -0.119 174.483 174.600 0.003 0.000 1.219 103 S CA 0.948 59.150 58.200 0.003 0.000 1.175 103 S CB 0.161 63.363 63.200 0.003 0.000 0.961 103 S HN 0.254 8.568 8.310 0.006 0.000 0.518 104 Q N 4.926 124.728 119.800 0.002 0.000 2.266 104 Q HA 0.120 4.461 4.340 0.003 0.000 0.261 104 Q C -0.813 175.188 176.000 0.001 0.000 0.985 104 Q CA -0.879 54.926 55.803 0.002 0.000 0.873 104 Q CB 2.578 31.317 28.738 0.002 0.000 1.306 104 Q HN -0.062 8.209 8.270 0.002 0.000 0.447 105 A N 1.969 124.790 122.820 0.001 0.000 2.276 105 A HA 0.189 4.509 4.320 0.000 0.000 0.300 105 A C -0.624 176.960 177.584 0.001 0.000 1.235 105 A CA 0.114 52.151 52.037 0.001 0.000 0.867 105 A CB 0.030 19.030 19.000 0.001 0.000 1.137 105 A HN 0.185 8.336 8.150 0.002 0.000 0.527 106 G N 1.528 110.328 108.800 -0.000 0.000 2.691 106 G HA2 0.012 3.972 3.960 -0.000 0.000 0.298 106 G HA3 0.012 3.972 3.960 -0.000 0.000 0.298 106 G C -1.121 173.778 174.900 -0.001 0.000 1.471 106 G CA -0.084 45.016 45.100 -0.000 0.000 0.912 106 G HN 0.036 8.326 8.290 -0.000 0.000 0.553 107 S N 0.925 116.625 115.700 -0.001 0.000 2.553 107 S HA -0.087 4.383 4.470 -0.001 0.000 0.293 107 S C 0.188 174.787 174.600 -0.002 0.000 1.296 107 S CA 0.670 58.869 58.200 -0.001 0.000 1.046 107 S CB 0.497 63.696 63.200 -0.001 0.000 0.810 107 S HN 0.056 8.366 8.310 -0.001 0.000 0.505 108 G N 3.137 111.936 108.800 -0.002 0.000 2.702 108 G HA2 0.418 4.377 3.960 -0.003 0.000 0.254 108 G HA3 0.418 4.377 3.960 -0.003 0.000 0.254 108 G C -1.498 173.401 174.900 -0.003 0.000 1.380 108 G CA -1.483 43.615 45.100 -0.002 0.000 1.042 108 G HN 0.103 8.392 8.290 -0.002 0.000 0.557 109 P HA 0.005 4.423 4.420 -0.003 0.000 0.221 109 P C -0.248 177.051 177.300 -0.003 0.000 1.150 109 P CA 0.112 63.210 63.100 -0.003 0.000 0.800 109 P CB 0.381 32.079 31.700 -0.004 0.000 0.787 110 S N 0.061 115.760 115.700 -0.003 0.000 2.998 110 S HA -0.230 4.239 4.470 -0.003 0.000 0.348 110 S C -0.434 174.165 174.600 -0.002 0.000 1.210 110 S CA -0.052 58.146 58.200 -0.002 0.000 1.118 110 S CB 0.159 63.358 63.200 -0.002 0.000 0.832 110 S HN -0.465 7.818 8.310 -0.003 0.025 0.516 111 S N 5.401 121.100 115.700 -0.002 0.000 2.537 111 S HA -0.020 4.449 4.470 -0.002 0.000 0.286 111 S C 0.410 175.009 174.600 -0.002 0.000 1.299 111 S CA 0.420 58.619 58.200 -0.002 0.000 1.067 111 S CB 0.772 63.971 63.200 -0.002 0.000 0.864 111 S HN 0.050 8.359 8.310 -0.002 0.000 0.494 112 G N 0.000 108.799 108.800 -0.002 0.000 5.446 112 G HA2 0.000 nan 3.960 nan 0.000 0.244 112 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 112 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 112 G HN 0.000 8.289 8.290 -0.002 0.000 0.925