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 2zjr_1_K DATA FIRST_RESID 3 DATA SEQUENCE HGKAGRKLNR NSSARVALAR AQATALLREG RIQTTLTKAK ELRPFVEQLI DATA SEQUENCE TTAKGGDLHS RRLVAQDIHD KDVVRKVMDE VAPKYAERPG GYTRILRVGT DATA SEQUENCE RRGDGVTMAL IEL 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.328 175.328 0.000 0.000 0.993 3 H CA 0.000 56.048 56.048 0.000 0.000 1.023 3 H CB 0.000 29.762 29.762 0.001 0.000 1.292 4 G N 0.738 109.560 108.800 0.036 0.000 4.657 4 G HA2 -0.022 3.938 3.960 0.000 0.000 0.224 4 G HA3 -0.022 3.938 3.960 0.000 0.000 0.224 4 G C -0.500 174.329 174.900 -0.119 0.000 1.018 4 G CA -0.331 44.746 45.100 -0.038 0.000 1.236 4 G HN 0.251 nan 8.290 nan 0.000 0.677 5 K N 1.173 121.472 120.400 -0.169 0.000 2.914 5 K HA 0.409 4.729 4.320 0.000 0.000 0.246 5 K C 1.918 178.475 176.600 -0.071 0.000 0.949 5 K CA 0.272 56.459 56.287 -0.165 0.000 1.136 5 K CB 0.297 32.708 32.500 -0.148 0.000 0.976 5 K HN 0.425 nan 8.250 nan 0.000 0.473 6 A N 1.607 124.396 122.820 -0.052 0.000 2.603 6 A HA 0.185 4.505 4.320 0.000 0.000 0.179 6 A C 1.183 178.753 177.584 -0.023 0.000 1.156 6 A CA 1.185 53.206 52.037 -0.027 0.000 0.871 6 A CB -0.571 18.417 19.000 -0.020 0.000 0.884 6 A HN 0.470 nan 8.150 nan 0.000 0.553 7 G N -2.053 106.736 108.800 -0.019 0.000 2.906 7 G HA2 0.446 4.406 3.960 0.000 0.000 0.235 7 G HA3 0.446 4.406 3.960 0.000 0.000 0.235 7 G C -0.441 174.455 174.900 -0.006 0.000 3.666 7 G CA -0.038 45.054 45.100 -0.013 0.000 0.647 7 G HN 0.646 nan 8.290 nan 0.000 0.417 8 R N -0.993 119.502 120.500 -0.008 0.000 3.135 8 R HA 0.391 4.731 4.340 0.000 0.000 0.276 8 R C -1.244 175.049 176.300 -0.011 0.000 0.925 8 R CA -0.579 55.518 56.100 -0.005 0.000 0.809 8 R CB 0.621 30.920 30.300 -0.002 0.000 1.511 8 R HN 0.356 nan 8.270 nan 0.000 0.486 9 K N 0.579 120.971 120.400 -0.014 0.000 2.502 9 K HA 0.708 5.028 4.320 0.000 0.000 0.257 9 K C -0.800 175.785 176.600 -0.024 0.000 0.938 9 K CA -0.656 55.620 56.287 -0.019 0.000 0.819 9 K CB 2.506 34.993 32.500 -0.021 0.000 1.333 9 K HN 0.311 nan 8.250 nan 0.000 0.434 10 L N 0.713 121.922 121.223 -0.024 0.000 2.305 10 L HA 0.490 4.830 4.340 0.000 0.000 0.239 10 L C -0.139 176.715 176.870 -0.025 0.000 1.146 10 L CA -0.591 54.232 54.840 -0.027 0.000 1.038 10 L CB 1.703 43.749 42.059 -0.023 0.000 1.591 10 L HN 0.952 nan 8.230 nan 0.000 0.438 11 N N -1.502 117.183 118.700 -0.025 0.000 2.779 11 N HA -0.029 4.711 4.740 0.000 0.000 0.201 11 N C -0.725 174.771 175.510 -0.023 0.000 1.349 11 N CA -0.334 52.703 53.050 -0.022 0.000 2.299 11 N CB 0.307 38.780 38.487 -0.023 0.000 1.205 11 N HN 0.487 nan 8.380 nan 0.000 0.827 12 R N 0.933 121.417 120.500 -0.025 0.000 2.846 12 R HA 0.415 4.755 4.340 0.000 0.000 0.263 12 R C 0.086 176.372 176.300 -0.024 0.000 1.080 12 R CA -0.720 55.364 56.100 -0.026 0.000 0.961 12 R CB 0.797 31.077 30.300 -0.034 0.000 1.231 12 R HN 0.140 nan 8.270 nan 0.000 0.465 13 N N -0.283 118.403 118.700 -0.022 0.000 2.254 13 N HA -0.074 4.666 4.740 0.000 0.000 0.272 13 N C 0.764 176.262 175.510 -0.020 0.000 1.295 13 N CA 0.153 53.192 53.050 -0.018 0.000 0.934 13 N CB 0.009 38.487 38.487 -0.016 0.000 1.033 13 N HN 0.554 nan 8.380 nan 0.000 0.467 14 S N -1.341 114.349 115.700 -0.017 0.000 2.486 14 S HA -0.016 4.454 4.470 0.000 0.000 0.220 14 S C 1.861 176.449 174.600 -0.021 0.000 1.011 14 S CA 0.585 58.775 58.200 -0.016 0.000 0.921 14 S CB -0.414 62.781 63.200 -0.009 0.000 0.785 14 S HN 0.645 nan 8.310 nan 0.000 0.517 15 S N 1.887 117.574 115.700 -0.022 0.000 2.456 15 S HA 0.439 4.909 4.470 0.000 0.000 0.224 15 S C 2.089 176.665 174.600 -0.040 0.000 1.035 15 S CA 0.295 58.479 58.200 -0.026 0.000 0.940 15 S CB -0.616 62.572 63.200 -0.020 0.000 0.799 15 S HN 0.643 nan 8.310 nan 0.000 0.508 16 A N 2.820 125.617 122.820 -0.039 0.000 1.858 16 A HA -0.035 4.285 4.320 0.000 0.000 0.216 16 A C 2.245 179.790 177.584 -0.065 0.000 1.190 16 A CA 1.716 53.724 52.037 -0.049 0.000 0.617 16 A CB -0.756 18.219 19.000 -0.041 0.000 0.827 16 A HN 0.355 nan 8.150 nan 0.000 0.443 17 R N -0.653 119.811 120.500 -0.061 0.000 2.249 17 R HA -0.044 4.296 4.340 0.000 0.000 0.230 17 R C 1.639 177.874 176.300 -0.108 0.000 1.121 17 R CA 1.333 57.386 56.100 -0.078 0.000 0.997 17 R CB -0.865 29.399 30.300 -0.060 0.000 0.867 17 R HN 0.353 nan 8.270 nan 0.000 0.465 18 V N -1.048 118.811 119.914 -0.092 0.000 2.825 18 V HA 0.109 4.229 4.120 0.000 0.000 0.246 18 V C 1.806 177.822 176.094 -0.130 0.000 1.068 18 V CA 1.205 63.440 62.300 -0.108 0.000 1.088 18 V CB 0.267 32.062 31.823 -0.047 0.000 0.733 18 V HN 0.377 nan 8.190 nan 0.000 0.468 19 A N -0.527 122.229 122.820 -0.106 0.000 2.014 19 A HA -0.063 4.257 4.320 0.000 0.000 0.218 19 A C 1.965 179.470 177.584 -0.131 0.000 1.163 19 A CA 1.498 53.467 52.037 -0.115 0.000 0.652 19 A CB -0.285 18.659 19.000 -0.094 0.000 0.808 19 A HN 0.448 nan 8.150 nan 0.000 0.449 20 L N -0.142 121.001 121.223 -0.135 0.000 1.971 20 L HA 0.083 4.423 4.340 0.000 0.000 0.208 20 L C 2.658 179.407 176.870 -0.202 0.000 1.083 20 L CA 2.215 56.973 54.840 -0.136 0.000 0.753 20 L CB -0.997 40.991 42.059 -0.117 0.000 0.893 20 L HN 0.292 nan 8.230 nan 0.000 0.436 21 A N -0.553 122.087 122.820 -0.300 0.000 2.067 21 A HA -0.318 4.002 4.320 0.000 0.000 0.224 21 A C 2.390 179.612 177.584 -0.603 0.000 1.172 21 A CA 2.384 54.089 52.037 -0.553 0.000 0.662 21 A CB -0.758 17.751 19.000 -0.817 0.000 0.814 21 A HN 0.602 nan 8.150 nan 0.000 0.468 22 R N -1.413 118.886 120.500 -0.335 0.000 2.112 22 R HA 0.166 4.506 4.340 0.000 0.000 0.216 22 R C 2.536 178.806 176.300 -0.050 0.000 1.080 22 R CA 0.870 56.901 56.100 -0.115 0.000 0.996 22 R CB -0.300 29.970 30.300 -0.051 0.000 0.902 22 R HN 0.494 nan 8.270 nan 0.000 0.449 23 A N 1.140 123.904 122.820 -0.093 0.000 1.898 23 A HA -0.191 4.129 4.320 0.000 0.000 0.216 23 A C 1.970 179.533 177.584 -0.036 0.000 1.181 23 A CA 1.173 53.173 52.037 -0.060 0.000 0.620 23 A CB -0.274 18.683 19.000 -0.071 0.000 0.819 23 A HN 0.287 nan 8.150 nan 0.000 0.442 24 Q N -0.677 119.090 119.800 -0.055 0.000 2.083 24 Q HA 0.011 4.351 4.340 0.000 0.000 0.198 24 Q C 2.458 178.472 176.000 0.024 0.000 0.969 24 Q CA 0.982 56.770 55.803 -0.025 0.000 0.838 24 Q CB -0.401 28.311 28.738 -0.043 0.000 0.900 24 Q HN 0.644 nan 8.270 nan 0.000 0.436 25 A N 1.024 123.883 122.820 0.065 0.000 1.903 25 A HA -0.272 4.048 4.320 0.000 0.000 0.219 25 A C 2.287 179.941 177.584 0.117 0.000 1.191 25 A CA 2.308 54.464 52.037 0.199 0.000 0.638 25 A CB -1.201 18.102 19.000 0.505 0.000 0.823 25 A HN 0.347 nan 8.150 nan 0.000 0.451 26 T N -0.083 114.524 114.554 0.089 0.000 2.746 26 T HA 0.024 4.374 4.350 0.000 0.000 0.267 26 T C 2.224 176.945 174.700 0.036 0.000 1.039 26 T CA 1.664 63.801 62.100 0.061 0.000 1.142 26 T CB -0.469 68.429 68.868 0.050 0.000 0.866 26 T HN 0.645 nan 8.240 nan 0.000 0.444 27 A N 1.314 124.147 122.820 0.023 0.000 1.877 27 A HA 0.042 4.362 4.320 0.000 0.000 0.216 27 A C 2.296 179.888 177.584 0.013 0.000 1.186 27 A CA 1.073 53.117 52.037 0.012 0.000 0.620 27 A CB -0.938 18.063 19.000 0.003 0.000 0.822 27 A HN 0.471 nan 8.150 nan 0.000 0.443 28 L N -0.319 120.913 121.223 0.016 0.000 2.013 28 L HA -0.207 4.133 4.340 0.000 0.000 0.212 28 L C 2.404 179.279 176.870 0.008 0.000 1.073 28 L CA 1.855 56.700 54.840 0.008 0.000 0.753 28 L CB -0.315 41.751 42.059 0.012 0.000 0.890 28 L HN 0.454 nan 8.230 nan 0.000 0.432 29 L N -0.749 120.486 121.223 0.020 0.000 2.217 29 L HA -0.170 4.170 4.340 0.000 0.000 0.211 29 L C 2.624 179.506 176.870 0.020 0.000 1.107 29 L CA 0.901 55.755 54.840 0.022 0.000 0.783 29 L CB -0.494 41.583 42.059 0.031 0.000 0.919 29 L HN 0.312 nan 8.230 nan 0.000 0.442 30 R N 0.586 121.097 120.500 0.019 0.000 2.240 30 R HA -0.031 4.309 4.340 0.000 0.000 0.203 30 R C 0.816 177.122 176.300 0.010 0.000 1.011 30 R CA 0.807 56.916 56.100 0.015 0.000 1.007 30 R CB 0.373 30.682 30.300 0.015 0.000 0.911 30 R HN 0.338 nan 8.270 nan 0.000 0.468 31 E N -1.186 119.018 120.200 0.008 0.000 2.921 31 E HA 0.139 4.489 4.350 0.000 0.000 0.203 31 E C 0.532 177.134 176.600 0.002 0.000 0.975 31 E CA 0.304 56.707 56.400 0.005 0.000 1.225 31 E CB 1.306 31.008 29.700 0.004 0.000 1.048 31 E HN 0.439 nan 8.360 nan 0.000 0.477 32 G N 3.045 111.845 108.800 -0.000 0.000 2.418 32 G HA2 -0.378 3.582 3.960 0.000 0.000 0.259 32 G HA3 -0.378 3.582 3.960 0.000 0.000 0.259 32 G C 0.601 175.491 174.900 -0.016 0.000 0.989 32 G CA 1.755 46.850 45.100 -0.008 0.000 0.646 32 G HN 0.376 nan 8.290 nan 0.000 0.570 33 R N -0.543 119.953 120.500 -0.007 0.000 2.664 33 R HA 0.604 4.944 4.340 0.000 0.000 0.266 33 R C -1.496 174.802 176.300 -0.002 0.000 1.046 33 R CA -0.437 55.659 56.100 -0.006 0.000 0.885 33 R CB 0.985 31.286 30.300 0.002 0.000 1.254 33 R HN 0.858 nan 8.270 nan 0.000 0.465 34 I N -0.347 120.222 120.570 -0.003 0.000 2.842 34 I HA 0.357 4.527 4.170 0.000 0.000 0.297 34 I C -1.327 174.789 176.117 -0.002 0.000 1.380 34 I CA -1.090 60.209 61.300 -0.002 0.000 1.018 34 I CB 2.367 40.365 38.000 -0.004 0.000 1.311 34 I HN 0.739 nan 8.210 nan 0.000 0.439 35 Q N 3.483 123.282 119.800 -0.002 0.000 2.214 35 Q HA 0.839 5.179 4.340 0.000 0.000 0.251 35 Q C -0.918 175.080 176.000 -0.004 0.000 0.936 35 Q CA -0.433 55.369 55.803 -0.001 0.000 0.894 35 Q CB 2.460 31.198 28.738 0.000 0.000 1.252 35 Q HN 0.811 nan 8.270 nan 0.000 0.448 36 T N 0.143 114.694 114.554 -0.005 0.000 2.711 36 T HA 0.354 4.704 4.350 0.000 0.000 0.302 36 T C -1.001 173.694 174.700 -0.009 0.000 1.373 36 T CA -0.106 61.989 62.100 -0.009 0.000 1.000 36 T CB 1.166 70.027 68.868 -0.012 0.000 1.483 36 T HN 0.883 nan 8.240 nan 0.000 0.499 37 T N 1.726 116.273 114.554 -0.012 0.000 2.932 37 T HA 0.203 4.553 4.350 0.000 0.000 0.312 37 T C 1.549 176.244 174.700 -0.009 0.000 1.071 37 T CA -0.234 61.860 62.100 -0.010 0.000 1.128 37 T CB 0.389 69.249 68.868 -0.013 0.000 0.984 37 T HN 0.507 nan 8.240 nan 0.000 0.549 38 L N 2.662 123.881 121.223 -0.006 0.000 2.013 38 L HA -0.083 4.257 4.340 0.000 0.000 0.212 38 L C 2.561 179.427 176.870 -0.006 0.000 1.073 38 L CA 2.311 57.149 54.840 -0.004 0.000 0.753 38 L CB -1.727 40.331 42.059 -0.002 0.000 0.890 38 L HN 0.970 nan 8.230 nan 0.000 0.432 39 T N -0.202 114.347 114.554 -0.008 0.000 2.708 39 T HA -0.173 4.177 4.350 0.000 0.000 0.266 39 T C 1.872 176.563 174.700 -0.014 0.000 1.037 39 T CA 1.591 63.684 62.100 -0.010 0.000 1.146 39 T CB -0.193 68.667 68.868 -0.013 0.000 0.865 39 T HN 0.359 nan 8.240 nan 0.000 0.435 40 K N 1.196 121.585 120.400 -0.018 0.000 2.103 40 K HA -0.050 4.270 4.320 0.000 0.000 0.207 40 K C 2.645 179.232 176.600 -0.021 0.000 1.048 40 K CA 1.285 57.556 56.287 -0.026 0.000 0.930 40 K CB -0.337 32.145 32.500 -0.029 0.000 0.716 40 K HN 0.327 nan 8.250 nan 0.000 0.444 41 A N 2.000 124.812 122.820 -0.012 0.000 1.898 41 A HA -0.173 4.147 4.320 0.000 0.000 0.216 41 A C 1.934 179.518 177.584 0.000 0.000 1.181 41 A CA 1.360 53.394 52.037 -0.005 0.000 0.620 41 A CB -0.241 18.758 19.000 -0.002 0.000 0.819 41 A HN 0.196 nan 8.150 nan 0.000 0.442 42 K N -0.439 119.960 120.400 -0.001 0.000 2.063 42 K HA -0.185 4.135 4.320 0.000 0.000 0.208 42 K C 2.085 178.688 176.600 0.005 0.000 1.048 42 K CA 1.306 57.594 56.287 0.003 0.000 0.928 42 K CB -0.161 32.339 32.500 -0.000 0.000 0.713 42 K HN 0.572 nan 8.250 nan 0.000 0.442 43 E N 1.659 121.856 120.200 -0.006 0.000 2.051 43 E HA -0.198 4.152 4.350 0.000 0.000 0.192 43 E C 2.088 178.693 176.600 0.007 0.000 0.991 43 E CA 1.021 57.414 56.400 -0.011 0.000 0.799 43 E CB -0.163 29.512 29.700 -0.041 0.000 0.748 43 E HN 0.117 nan 8.360 nan 0.000 0.449 44 L N 1.793 123.016 121.223 0.001 0.000 1.989 44 L HA -0.197 4.143 4.340 0.000 0.000 0.211 44 L C 2.875 179.806 176.870 0.102 0.000 1.071 44 L CA 2.379 57.242 54.840 0.039 0.000 0.749 44 L CB -0.755 41.314 42.059 0.017 0.000 0.890 44 L HN 0.118 nan 8.230 nan 0.000 0.431 45 R N 0.013 120.545 120.500 0.054 0.000 2.168 45 R HA -0.220 4.120 4.340 0.000 0.000 0.242 45 R C -0.535 175.794 176.300 0.049 0.000 1.123 45 R CA 2.896 59.020 56.100 0.040 0.000 0.928 45 R CB -1.720 28.593 30.300 0.021 0.000 0.873 45 R HN 0.384 nan 8.270 nan 0.000 0.434 46 P HA -0.199 nan 4.420 nan 0.000 0.214 46 P C 1.444 178.786 177.300 0.071 0.000 1.162 46 P CA 1.361 64.489 63.100 0.047 0.000 0.879 46 P CB -0.432 31.297 31.700 0.048 0.000 0.786 47 F N 1.508 121.443 119.950 -0.025 0.000 2.032 47 F HA -0.268 4.259 4.527 0.000 0.000 0.297 47 F C 2.358 178.140 175.800 -0.030 0.000 1.125 47 F CA 2.001 59.987 58.000 -0.023 0.000 1.202 47 F CB -1.234 37.754 39.000 -0.019 0.000 0.958 47 F HN -0.229 nan 8.300 nan 0.000 0.491 48 V N 0.886 120.879 119.914 0.130 0.000 2.324 48 V HA -0.316 3.804 4.120 0.000 0.000 0.250 48 V C 2.195 178.204 176.094 -0.142 0.000 1.060 48 V CA 2.657 64.938 62.300 -0.032 0.000 1.042 48 V CB -0.577 31.285 31.823 0.065 0.000 0.650 48 V HN 0.581 nan 8.190 nan 0.000 0.450 49 E N -0.710 119.426 120.200 -0.106 0.000 2.085 49 E HA -0.291 4.059 4.350 0.000 0.000 0.194 49 E C 2.254 178.762 176.600 -0.153 0.000 0.994 49 E CA 1.744 58.066 56.400 -0.131 0.000 0.801 49 E CB -0.197 29.448 29.700 -0.093 0.000 0.743 49 E HN 0.742 nan 8.360 nan 0.000 0.453 50 Q N 0.262 119.956 119.800 -0.177 0.000 2.050 50 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 50 Q C 2.323 178.185 176.000 -0.230 0.000 0.980 50 Q CA 0.892 56.580 55.803 -0.192 0.000 0.840 50 Q CB -0.190 28.417 28.738 -0.219 0.000 0.898 50 Q HN 0.175 nan 8.270 nan 0.000 0.424 51 L N 1.640 122.660 121.223 -0.339 0.000 2.042 51 L HA -0.187 4.153 4.340 0.000 0.000 0.210 51 L C 2.251 179.025 176.870 -0.159 0.000 1.076 51 L CA 1.578 56.246 54.840 -0.287 0.000 0.749 51 L CB -0.928 40.920 42.059 -0.352 0.000 0.893 51 L HN 0.373 nan 8.230 nan 0.000 0.432 52 I N -4.053 116.433 120.570 -0.140 0.000 2.286 52 I HA -0.237 3.933 4.170 0.000 0.000 0.248 52 I C 1.922 177.997 176.117 -0.070 0.000 1.115 52 I CA 1.866 63.113 61.300 -0.089 0.000 1.392 52 I CB -1.138 36.778 38.000 -0.140 0.000 1.065 52 I HN 0.107 nan 8.210 nan 0.000 0.418 53 T N 0.624 115.123 114.554 -0.092 0.000 2.995 53 T HA -0.057 4.293 4.350 0.000 0.000 0.269 53 T C 1.777 176.444 174.700 -0.055 0.000 1.091 53 T CA 1.778 63.840 62.100 -0.063 0.000 1.128 53 T CB -0.295 68.534 68.868 -0.066 0.000 0.891 53 T HN 0.487 nan 8.240 nan 0.000 0.492 54 T N 1.623 116.131 114.554 -0.077 0.000 2.937 54 T HA 0.162 4.512 4.350 0.000 0.000 0.260 54 T C 2.425 177.094 174.700 -0.053 0.000 1.051 54 T CA 0.808 62.864 62.100 -0.073 0.000 1.141 54 T CB -0.292 68.513 68.868 -0.105 0.000 0.879 54 T HN 0.395 nan 8.240 nan 0.000 0.459 55 A N 1.495 124.288 122.820 -0.046 0.000 1.969 55 A HA -0.003 4.317 4.320 0.000 0.000 0.218 55 A C 1.695 179.279 177.584 -0.001 0.000 1.169 55 A CA 0.987 53.011 52.037 -0.022 0.000 0.635 55 A CB -0.428 18.565 19.000 -0.011 0.000 0.810 55 A HN 0.412 nan 8.150 nan 0.000 0.445 56 K N 0.253 120.655 120.400 0.004 0.000 2.686 56 K HA 0.217 4.537 4.320 0.000 0.000 0.244 56 K C 0.751 177.360 176.600 0.014 0.000 1.262 56 K CA 0.465 56.765 56.287 0.021 0.000 1.199 56 K CB -0.762 31.755 32.500 0.028 0.000 1.428 56 K HN 0.332 nan 8.250 nan 0.000 0.247 57 G N -0.554 108.254 108.800 0.013 0.000 2.310 57 G HA2 0.123 4.083 3.960 0.000 0.000 0.185 57 G HA3 0.123 4.083 3.960 0.000 0.000 0.185 57 G C 0.850 175.761 174.900 0.019 0.000 1.460 57 G CA 0.320 45.430 45.100 0.017 0.000 0.660 57 G HN 0.536 nan 8.290 nan 0.000 1.081 58 G N 1.125 109.934 108.800 0.016 0.000 2.353 58 G HA2 -0.332 3.628 3.960 0.000 0.000 0.258 58 G HA3 -0.332 3.628 3.960 0.000 0.000 0.258 58 G C 0.348 175.260 174.900 0.020 0.000 1.013 58 G CA 0.795 45.904 45.100 0.016 0.000 0.622 58 G HN 0.834 nan 8.290 nan 0.000 0.535 59 D N 0.732 121.150 120.400 0.030 0.000 2.357 59 D HA 0.267 4.907 4.640 0.000 0.000 0.242 59 D C 1.737 178.066 176.300 0.048 0.000 1.153 59 D CA 0.001 54.026 54.000 0.042 0.000 0.918 59 D CB 1.348 42.184 40.800 0.061 0.000 1.181 59 D HN 0.322 nan 8.370 nan 0.000 0.435 60 L N 0.660 121.914 121.223 0.051 0.000 2.042 60 L HA -0.263 4.077 4.340 0.000 0.000 0.210 60 L C 2.465 179.380 176.870 0.076 0.000 1.076 60 L CA 1.781 56.650 54.840 0.048 0.000 0.749 60 L CB -0.625 41.460 42.059 0.044 0.000 0.893 60 L HN 0.553 nan 8.230 nan 0.000 0.432 61 H N -0.587 118.478 119.070 -0.009 0.000 2.319 61 H HA -0.171 4.385 4.556 0.000 0.000 0.297 61 H C 2.289 177.608 175.328 -0.014 0.000 1.097 61 H CA 2.089 58.130 56.048 -0.011 0.000 1.285 61 H CB -0.275 29.481 29.762 -0.010 0.000 1.368 61 H HN 0.419 nan 8.280 nan 0.000 0.495 62 S N -0.310 115.392 115.700 0.004 0.000 2.447 62 S HA -0.089 4.381 4.470 0.000 0.000 0.233 62 S C 2.107 176.658 174.600 -0.082 0.000 1.006 62 S CA 0.975 59.129 58.200 -0.077 0.000 0.957 62 S CB -0.069 63.122 63.200 -0.015 0.000 0.773 62 S HN 0.459 nan 8.310 nan 0.000 0.507 63 R N 1.222 121.694 120.500 -0.046 0.000 2.057 63 R HA 0.079 4.419 4.340 0.000 0.000 0.229 63 R C 2.318 178.579 176.300 -0.065 0.000 1.136 63 R CA 0.999 57.074 56.100 -0.041 0.000 0.952 63 R CB -0.169 30.121 30.300 -0.016 0.000 0.848 63 R HN 0.182 nan 8.270 nan 0.000 0.430 64 R N 0.392 120.852 120.500 -0.067 0.000 2.139 64 R HA -0.120 4.220 4.340 0.000 0.000 0.243 64 R C 2.327 178.553 176.300 -0.123 0.000 1.145 64 R CA 1.525 57.578 56.100 -0.078 0.000 0.976 64 R CB -0.283 29.993 30.300 -0.041 0.000 0.866 64 R HN 0.317 nan 8.270 nan 0.000 0.449 65 L N -0.342 120.768 121.223 -0.190 0.000 2.044 65 L HA -0.147 4.193 4.340 0.000 0.000 0.205 65 L C 2.268 179.066 176.870 -0.120 0.000 1.075 65 L CA 1.002 55.727 54.840 -0.191 0.000 0.747 65 L CB -0.364 41.539 42.059 -0.259 0.000 0.903 65 L HN 0.069 nan 8.230 nan 0.000 0.435 66 V N 0.331 120.182 119.914 -0.105 0.000 2.343 66 V HA -0.257 3.863 4.120 0.000 0.000 0.247 66 V C 2.579 178.640 176.094 -0.054 0.000 1.051 66 V CA 1.653 63.909 62.300 -0.074 0.000 1.036 66 V CB -0.905 30.883 31.823 -0.058 0.000 0.654 66 V HN 0.490 nan 8.190 nan 0.000 0.451 67 A N -0.951 121.827 122.820 -0.069 0.000 2.272 67 A HA -0.223 4.097 4.320 0.000 0.000 0.213 67 A C 2.062 179.556 177.584 -0.150 0.000 1.183 67 A CA 1.320 53.304 52.037 -0.088 0.000 0.719 67 A CB -0.472 18.474 19.000 -0.089 0.000 0.771 67 A HN 0.698 nan 8.150 nan 0.000 0.484 68 Q N -0.808 118.931 119.800 -0.101 0.000 2.376 68 Q HA -0.002 4.338 4.340 0.000 0.000 0.206 68 Q C -0.101 175.920 176.000 0.034 0.000 0.921 68 Q CA 0.736 56.482 55.803 -0.096 0.000 0.911 68 Q CB 0.361 29.074 28.738 -0.041 0.000 1.032 68 Q HN 0.599 nan 8.270 nan 0.000 0.510 69 D N 0.044 120.502 120.400 0.097 0.000 2.720 69 D HA 0.223 4.863 4.640 0.000 0.000 0.285 69 D C -0.480 175.971 176.300 0.253 0.000 1.359 69 D CA 0.158 54.307 54.000 0.248 0.000 0.818 69 D CB 1.283 42.233 40.800 0.250 0.000 1.108 69 D HN 0.047 nan 8.370 nan 0.000 0.474 70 I N 1.317 122.038 120.570 0.251 0.000 2.594 70 I HA -0.001 4.169 4.170 0.000 0.000 0.272 70 I C -0.126 176.114 176.117 0.205 0.000 1.225 70 I CA -0.276 61.145 61.300 0.201 0.000 1.084 70 I CB 0.765 38.819 38.000 0.090 0.000 1.324 70 I HN -0.085 nan 8.210 nan 0.000 0.481 71 H N 1.505 120.589 119.070 0.023 0.000 2.543 71 H HA 0.128 4.684 4.556 0.000 0.000 0.269 71 H C 0.404 175.739 175.328 0.011 0.000 1.005 71 H CA 0.281 56.338 56.048 0.015 0.000 1.146 71 H CB 0.087 29.857 29.762 0.013 0.000 1.353 71 H HN 0.372 nan 8.280 nan 0.000 0.595 72 D N 0.949 121.423 120.400 0.124 0.000 2.373 72 D HA 0.044 4.684 4.640 0.000 0.000 0.227 72 D C 0.576 176.902 176.300 0.042 0.000 1.091 72 D CA -0.308 53.733 54.000 0.069 0.000 0.840 72 D CB 0.861 41.694 40.800 0.055 0.000 1.060 72 D HN 0.168 nan 8.370 nan 0.000 0.502 73 K N 2.536 122.953 120.400 0.029 0.000 2.089 73 K HA -0.179 4.141 4.320 0.000 0.000 0.210 73 K C 0.960 177.569 176.600 0.015 0.000 1.048 73 K CA 1.186 57.482 56.287 0.015 0.000 0.926 73 K CB 0.225 32.731 32.500 0.010 0.000 0.714 73 K HN 0.455 nan 8.250 nan 0.000 0.448 74 D N 0.766 121.176 120.400 0.017 0.000 2.117 74 D HA -0.107 4.533 4.640 0.000 0.000 0.198 74 D C 2.102 178.411 176.300 0.016 0.000 0.982 74 D CA 1.159 55.167 54.000 0.014 0.000 0.828 74 D CB -0.148 40.660 40.800 0.013 0.000 0.967 74 D HN 0.013 nan 8.370 nan 0.000 0.464 75 V N 1.104 121.031 119.914 0.022 0.000 2.515 75 V HA -0.152 3.968 4.120 0.000 0.000 0.250 75 V C 2.558 178.666 176.094 0.022 0.000 1.058 75 V CA 0.845 63.160 62.300 0.024 0.000 1.064 75 V CB -0.514 31.329 31.823 0.033 0.000 0.675 75 V HN 0.041 nan 8.190 nan 0.000 0.461 76 V N 0.135 120.061 119.914 0.020 0.000 2.343 76 V HA -0.255 3.865 4.120 0.000 0.000 0.247 76 V C 2.723 178.822 176.094 0.008 0.000 1.051 76 V CA 2.152 64.459 62.300 0.012 0.000 1.036 76 V CB -0.425 31.399 31.823 0.003 0.000 0.654 76 V HN 0.460 nan 8.190 nan 0.000 0.451 77 R N -0.287 120.218 120.500 0.008 0.000 2.091 77 R HA -0.222 4.118 4.340 0.000 0.000 0.238 77 R C 2.469 178.774 176.300 0.008 0.000 1.136 77 R CA 2.187 58.291 56.100 0.006 0.000 0.959 77 R CB -0.396 29.907 30.300 0.006 0.000 0.856 77 R HN 0.542 nan 8.270 nan 0.000 0.437 78 K N 0.501 120.907 120.400 0.011 0.000 1.991 78 K HA -0.155 4.165 4.320 0.000 0.000 0.212 78 K C 2.012 178.622 176.600 0.017 0.000 1.049 78 K CA 1.782 58.076 56.287 0.011 0.000 0.932 78 K CB -0.405 32.103 32.500 0.013 0.000 0.717 78 K HN 0.106 nan 8.250 nan 0.000 0.441 79 V N 0.866 120.794 119.914 0.022 0.000 2.392 79 V HA -0.243 3.877 4.120 0.000 0.000 0.249 79 V C 2.258 178.369 176.094 0.028 0.000 1.059 79 V CA 2.044 64.363 62.300 0.032 0.000 1.051 79 V CB -0.259 31.578 31.823 0.024 0.000 0.658 79 V HN 0.467 nan 8.190 nan 0.000 0.455 80 M N 0.503 120.112 119.600 0.015 0.000 2.099 80 M HA -0.067 4.413 4.480 0.000 0.000 0.262 80 M C 1.641 177.949 176.300 0.013 0.000 1.067 80 M CA 2.316 57.623 55.300 0.011 0.000 1.124 80 M CB -0.559 32.043 32.600 0.003 0.000 1.353 80 M HN 0.509 nan 8.290 nan 0.000 0.410 81 D N -1.784 118.621 120.400 0.009 0.000 2.380 81 D HA 0.026 4.666 4.640 0.000 0.000 0.212 81 D C 1.608 177.908 176.300 0.000 0.000 1.021 81 D CA 0.626 54.630 54.000 0.005 0.000 0.884 81 D CB 0.077 40.879 40.800 0.003 0.000 1.001 81 D HN 0.443 nan 8.370 nan 0.000 0.506 82 E N 0.604 120.804 120.200 -0.000 0.000 2.094 82 E HA -0.021 4.329 4.350 0.000 0.000 0.193 82 E C 2.130 178.715 176.600 -0.025 0.000 0.950 82 E CA 0.158 56.550 56.400 -0.014 0.000 0.842 82 E CB 0.330 30.023 29.700 -0.013 0.000 0.816 82 E HN -0.022 nan 8.360 nan 0.000 0.465 83 V N 0.975 120.890 119.914 0.001 0.000 2.407 83 V HA -0.039 4.081 4.120 0.000 0.000 0.245 83 V C 2.095 178.250 176.094 0.101 0.000 1.041 83 V CA 1.878 64.186 62.300 0.013 0.000 1.040 83 V CB -0.139 31.745 31.823 0.101 0.000 0.671 83 V HN 0.279 nan 8.190 nan 0.000 0.455 84 A N 0.894 123.784 122.820 0.118 0.000 1.908 84 A HA -0.053 4.267 4.320 0.000 0.000 0.218 84 A C 0.633 178.283 177.584 0.109 0.000 1.181 84 A CA 2.085 54.209 52.037 0.146 0.000 0.627 84 A CB -2.096 16.950 19.000 0.077 0.000 0.818 84 A HN 0.637 nan 8.150 nan 0.000 0.445 85 P HA -0.140 nan 4.420 nan 0.000 0.217 85 P C 1.103 178.404 177.300 0.002 0.000 1.150 85 P CA 1.395 64.509 63.100 0.022 0.000 0.832 85 P CB -0.066 31.636 31.700 0.004 0.000 0.787 86 K N -1.344 119.019 120.400 -0.061 0.000 2.097 86 K HA -0.119 4.201 4.320 0.000 0.000 0.205 86 K C 1.576 178.098 176.600 -0.130 0.000 1.050 86 K CA 1.296 57.489 56.287 -0.157 0.000 0.938 86 K CB -0.533 31.779 32.500 -0.312 0.000 0.718 86 K HN 0.221 nan 8.250 nan 0.000 0.442 87 Y N 0.938 121.261 120.300 0.038 0.000 2.553 87 Y HA 0.074 4.624 4.550 0.000 0.000 0.303 87 Y C 1.942 177.860 175.900 0.029 0.000 1.194 87 Y CA -0.165 57.964 58.100 0.048 0.000 1.305 87 Y CB -0.768 37.725 38.460 0.055 0.000 1.045 87 Y HN 0.071 nan 8.280 nan 0.000 0.514 88 A N 1.051 123.952 122.820 0.136 0.000 1.879 88 A HA -0.372 3.948 4.320 0.000 0.000 0.222 88 A C 1.968 179.599 177.584 0.078 0.000 1.368 88 A CA 2.577 54.664 52.037 0.083 0.000 0.707 88 A CB -0.810 18.217 19.000 0.045 0.000 0.846 88 A HN 0.593 nan 8.150 nan 0.000 0.468 89 E N 0.096 120.336 120.200 0.067 0.000 2.516 89 E HA -0.019 4.331 4.350 0.000 0.000 0.199 89 E C 0.513 177.150 176.600 0.062 0.000 1.069 89 E CA 0.494 56.926 56.400 0.053 0.000 0.876 89 E CB -0.221 29.500 29.700 0.034 0.000 0.843 89 E HN 0.783 nan 8.360 nan 0.000 0.530 90 R N 0.963 121.523 120.500 0.100 0.000 2.346 90 R HA 0.365 4.705 4.340 0.000 0.000 0.311 90 R C -2.715 173.619 176.300 0.056 0.000 0.983 90 R CA -2.385 53.765 56.100 0.083 0.000 0.880 90 R CB 0.234 30.610 30.300 0.125 0.000 1.100 90 R HN -0.282 nan 8.270 nan 0.000 0.453 91 P HA 0.045 nan 4.420 nan 0.000 0.252 91 P C 0.081 177.382 177.300 0.001 0.000 1.635 91 P CA 0.320 63.428 63.100 0.013 0.000 1.206 91 P CB 0.113 31.818 31.700 0.008 0.000 1.911 92 G N 2.377 111.171 108.800 -0.009 0.000 2.706 92 G HA2 0.016 3.976 3.960 0.000 0.000 0.343 92 G HA3 0.016 3.976 3.960 0.000 0.000 0.343 92 G C 0.713 175.591 174.900 -0.037 0.000 0.121 92 G CA 0.214 45.285 45.100 -0.048 0.000 1.208 92 G HN 0.707 nan 8.290 nan 0.000 0.529 93 G N 1.271 110.051 108.800 -0.034 0.000 5.540 93 G HA2 0.339 4.299 3.960 0.000 0.000 0.197 93 G HA3 0.339 4.299 3.960 0.000 0.000 0.197 93 G C -0.654 174.291 174.900 0.074 0.000 0.747 93 G CA -0.272 44.831 45.100 0.005 0.000 0.706 93 G HN 0.906 nan 8.290 nan 0.000 0.292 94 Y N 1.318 121.507 120.300 -0.185 0.000 2.332 94 Y HA 0.760 5.310 4.550 -0.000 0.000 0.326 94 Y C -0.778 175.026 175.900 -0.161 0.000 0.978 94 Y CA -1.124 56.886 58.100 -0.150 0.000 1.205 94 Y CB 2.075 40.482 38.460 -0.089 0.000 1.131 94 Y HN 0.096 nan 8.280 nan 0.000 0.462 95 T N 7.132 121.700 114.554 0.024 0.000 3.588 95 T HA 0.366 4.716 4.350 0.000 0.000 0.428 95 T C -1.926 172.811 174.700 0.060 0.000 1.584 95 T CA -0.852 61.167 62.100 -0.134 0.000 1.128 95 T CB 0.479 69.284 68.868 -0.105 0.000 1.488 95 T HN 0.876 nan 8.240 nan 0.000 0.460 96 R N 4.498 125.038 120.500 0.066 0.000 2.725 96 R HA 0.779 5.119 4.340 0.000 0.000 0.277 96 R C -1.663 174.669 176.300 0.052 0.000 0.987 96 R CA -0.858 55.302 56.100 0.100 0.000 0.901 96 R CB 1.404 31.810 30.300 0.177 0.000 1.207 96 R HN 0.547 nan 8.270 nan 0.000 0.463 97 I N 3.301 123.896 120.570 0.042 0.000 2.378 97 I HA 0.317 4.487 4.170 0.000 0.000 0.291 97 I C -0.912 175.222 176.117 0.028 0.000 0.992 97 I CA -1.128 60.188 61.300 0.027 0.000 1.154 97 I CB 1.815 39.826 38.000 0.019 0.000 1.315 97 I HN 0.403 nan 8.210 nan 0.000 0.448 98 L N 6.761 127.998 121.223 0.024 0.000 2.329 98 L HA 0.535 4.875 4.340 0.000 0.000 0.279 98 L C 0.081 176.960 176.870 0.015 0.000 1.014 98 L CA -0.423 54.430 54.840 0.022 0.000 0.814 98 L CB 1.515 43.589 42.059 0.025 0.000 1.257 98 L HN 0.557 nan 8.230 nan 0.000 0.424 99 R N 2.614 123.122 120.500 0.012 0.000 2.428 99 R HA 0.792 5.132 4.340 0.000 0.000 0.294 99 R C -0.943 175.361 176.300 0.008 0.000 1.000 99 R CA -0.628 55.477 56.100 0.009 0.000 0.960 99 R CB 1.283 31.587 30.300 0.007 0.000 1.076 99 R HN 0.353 nan 8.270 nan 0.000 0.475 100 V N 1.574 121.492 119.914 0.006 0.000 5.444 100 V HA 0.483 4.603 4.120 0.000 0.000 0.274 100 V C 1.008 177.104 176.094 0.004 0.000 1.471 100 V CA -0.055 62.248 62.300 0.005 0.000 0.701 100 V CB 0.891 32.717 31.823 0.005 0.000 1.362 100 V HN 0.955 nan 8.190 nan 0.000 0.406 101 G N 0.058 108.860 108.800 0.003 0.000 2.502 101 G HA2 0.506 4.466 3.960 0.000 0.000 0.305 101 G HA3 0.506 4.466 3.960 0.000 0.000 0.305 101 G C -0.037 174.864 174.900 0.001 0.000 1.190 101 G CA 0.354 45.455 45.100 0.002 0.000 0.933 101 G HN 0.793 nan 8.290 nan 0.000 0.503 102 T N -2.178 112.376 114.554 0.000 0.000 2.813 102 T HA 0.434 4.784 4.350 0.000 0.000 0.297 102 T C 0.409 175.109 174.700 -0.001 0.000 1.036 102 T CA -0.384 61.716 62.100 -0.001 0.000 1.044 102 T CB 1.293 70.161 68.868 -0.001 0.000 0.993 102 T HN 0.696 nan 8.240 nan 0.000 0.535 103 R N -0.062 120.437 120.500 -0.002 0.000 2.782 103 R HA 0.498 4.838 4.340 0.000 0.000 0.258 103 R C 1.548 177.846 176.300 -0.002 0.000 1.055 103 R CA -1.120 54.979 56.100 -0.002 0.000 1.065 103 R CB 1.096 31.394 30.300 -0.003 0.000 1.172 103 R HN 0.839 nan 8.270 nan 0.000 0.510 104 R N 1.074 121.572 120.500 -0.002 0.000 2.075 104 R HA 0.042 4.382 4.340 0.000 0.000 0.220 104 R C 1.592 177.891 176.300 -0.003 0.000 1.118 104 R CA 1.370 57.469 56.100 -0.002 0.000 0.986 104 R CB -0.541 29.758 30.300 -0.002 0.000 0.884 104 R HN 0.849 nan 8.270 nan 0.000 0.439 105 G N 0.722 109.520 108.800 -0.003 0.000 2.501 105 G HA2 -0.240 3.720 3.960 0.000 0.000 0.220 105 G HA3 -0.240 3.720 3.960 0.000 0.000 0.220 105 G C 0.186 175.083 174.900 -0.004 0.000 1.114 105 G CA 1.353 46.451 45.100 -0.004 0.000 0.757 105 G HN 0.704 nan 8.290 nan 0.000 0.559 106 D N -4.334 116.064 120.400 -0.004 0.000 2.619 106 D HA 0.184 4.824 4.640 0.000 0.000 0.300 106 D C 1.309 177.607 176.300 -0.004 0.000 1.502 106 D CA 0.493 54.490 54.000 -0.005 0.000 0.865 106 D CB -0.919 39.878 40.800 -0.006 0.000 1.343 106 D HN 0.411 nan 8.370 nan 0.000 0.447 107 G N 0.170 108.968 108.800 -0.003 0.000 2.186 107 G HA2 -0.290 3.670 3.960 0.000 0.000 0.266 107 G HA3 -0.290 3.670 3.960 0.000 0.000 0.266 107 G C 0.292 175.190 174.900 -0.003 0.000 0.982 107 G CA 0.566 45.664 45.100 -0.003 0.000 0.670 107 G HN 0.545 nan 8.290 nan 0.000 0.533 108 V N 1.478 121.389 119.914 -0.004 0.000 2.508 108 V HA 0.476 4.596 4.120 0.000 0.000 0.281 108 V C 1.242 177.333 176.094 -0.004 0.000 1.041 108 V CA 0.414 62.711 62.300 -0.004 0.000 1.016 108 V CB 1.344 33.163 31.823 -0.006 0.000 0.984 108 V HN 0.613 nan 8.190 nan 0.000 0.478 109 T N 7.126 121.679 114.554 -0.003 0.000 2.751 109 T HA 0.260 4.610 4.350 0.000 0.000 0.290 109 T C 0.218 174.917 174.700 -0.002 0.000 0.919 109 T CA -0.719 61.380 62.100 -0.002 0.000 1.136 109 T CB -0.162 68.705 68.868 -0.001 0.000 0.875 109 T HN 0.410 nan 8.240 nan 0.000 0.532 110 M N 3.232 122.831 119.600 -0.002 0.000 2.114 110 M HA 0.726 5.206 4.480 0.000 0.000 0.293 110 M C 0.454 176.754 176.300 0.000 0.000 1.201 110 M CA -0.676 54.623 55.300 -0.002 0.000 1.107 110 M CB 0.561 33.160 32.600 -0.002 0.000 1.405 110 M HN 0.913 nan 8.290 nan 0.000 0.486 111 A N 0.582 123.402 122.820 0.000 0.000 2.566 111 A HA 0.768 5.088 4.320 0.000 0.000 0.290 111 A C -1.833 175.753 177.584 0.003 0.000 1.071 111 A CA -0.789 51.250 52.037 0.003 0.000 0.658 111 A CB 1.182 20.184 19.000 0.003 0.000 1.285 111 A HN 0.688 nan 8.150 nan 0.000 0.427 112 L N 1.163 122.390 121.223 0.007 0.000 2.322 112 L HA 0.682 5.022 4.340 0.000 0.000 0.281 112 L C -0.560 176.315 176.870 0.009 0.000 1.014 112 L CA -0.456 54.389 54.840 0.008 0.000 0.815 112 L CB 1.729 43.795 42.059 0.013 0.000 1.247 112 L HN 0.685 nan 8.230 nan 0.000 0.421 113 I N 3.418 123.990 120.570 0.003 0.000 2.439 113 I HA 0.357 4.527 4.170 0.000 0.000 0.285 113 I C -0.923 175.187 176.117 -0.012 0.000 1.021 113 I CA -0.085 61.214 61.300 -0.001 0.000 1.091 113 I CB 1.495 39.493 38.000 -0.004 0.000 1.242 113 I HN 0.755 nan 8.210 nan 0.000 0.439 114 E N 7.227 127.416 120.200 -0.019 0.000 2.288 114 E HA 0.506 4.856 4.350 0.000 0.000 0.268 114 E C -1.192 175.321 176.600 -0.145 0.000 0.885 114 E CA -0.946 55.429 56.400 -0.042 0.000 0.767 114 E CB 2.388 32.090 29.700 0.003 0.000 1.220 114 E HN 0.490 nan 8.360 nan 0.000 0.427 115 L N 0.000 121.104 121.223 -0.199 0.000 2.949 115 L HA 0.000 4.340 4.340 0.000 0.000 0.249 115 L CA 0.000 54.588 54.840 -0.419 0.000 0.813 115 L CB 0.000 41.955 42.059 -0.174 0.000 0.961 115 L HN 0.000 nan 8.230 nan 0.000 0.502