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 1q5t_1_A DATA FIRST_RESID 1 DATA SEQUENCE NLFQFGDMIL QKTGXKEAVH SYAIYGcYcG WGGQGRAQDA TDRccFAQDc DATA SEQUENCE cYGRNLXXVX cXXXXXNPKT ATYTYSFENG DIVcGDXNDL cLRAVcEcDR DATA SEQUENCE AAAIcLGENV NTYDKNYEYY SIXSHcTEES EQc 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 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.585 175.510 0.125 0.000 1.280 1 N CA 0.000 53.028 53.050 -0.037 0.000 0.885 1 N CB 0.000 38.458 38.487 -0.049 0.000 1.341 2 L N -0.834 120.502 121.223 0.188 0.000 2.141 2 L HA 0.073 4.414 4.340 0.000 0.000 0.209 2 L C 1.848 178.887 176.870 0.281 0.000 1.094 2 L CA 1.183 56.193 54.840 0.283 0.000 0.763 2 L CB -0.456 41.756 42.059 0.255 0.000 0.908 2 L HN 0.533 nan 8.230 nan 0.000 0.437 3 F N 1.008 121.011 119.950 0.090 0.000 2.095 3 F HA -0.301 4.227 4.527 0.000 0.000 0.298 3 F C 2.619 178.477 175.800 0.097 0.000 1.104 3 F CA 1.790 59.837 58.000 0.078 0.000 1.232 3 F CB -0.068 38.959 39.000 0.045 0.000 0.987 3 F HN 0.075 nan 8.300 nan 0.000 0.475 4 Q N -0.936 119.049 119.800 0.308 0.000 2.046 4 Q HA -0.189 4.152 4.340 0.000 0.000 0.200 4 Q C 2.193 178.290 176.000 0.161 0.000 0.975 4 Q CA 1.643 57.559 55.803 0.189 0.000 0.836 4 Q CB -0.601 28.100 28.738 -0.063 0.000 0.896 4 Q HN 0.472 nan 8.270 nan 0.000 0.428 5 F N 1.411 121.399 119.950 0.065 0.000 2.095 5 F HA -0.114 4.413 4.527 0.000 0.000 0.298 5 F C 2.070 177.885 175.800 0.025 0.000 1.104 5 F CA 1.659 59.696 58.000 0.063 0.000 1.232 5 F CB -0.999 38.063 39.000 0.103 0.000 0.987 5 F HN 0.038 nan 8.300 nan 0.000 0.475 6 G N 0.035 108.801 108.800 -0.058 0.000 2.513 6 G HA2 -0.336 3.624 3.960 0.000 0.000 0.219 6 G HA3 -0.336 3.624 3.960 0.000 0.000 0.219 6 G C 1.479 176.299 174.900 -0.135 0.000 1.160 6 G CA 1.211 46.205 45.100 -0.176 0.000 0.767 6 G HN 0.349 nan 8.290 nan 0.000 0.571 7 D N 0.165 120.523 120.400 -0.070 0.000 2.117 7 D HA -0.042 4.598 4.640 0.000 0.000 0.197 7 D C 2.685 179.131 176.300 0.243 0.000 0.987 7 D CA 0.720 54.770 54.000 0.084 0.000 0.829 7 D CB -0.284 40.642 40.800 0.209 0.000 0.961 7 D HN 0.316 nan 8.370 nan 0.000 0.460 8 M N -0.034 119.698 119.600 0.219 0.000 2.108 8 M HA -0.129 4.351 4.480 0.000 0.000 0.261 8 M C 2.295 178.611 176.300 0.027 0.000 1.066 8 M CA 1.076 56.523 55.300 0.246 0.000 1.107 8 M CB -0.183 32.527 32.600 0.182 0.000 1.356 8 M HN 0.005 nan 8.290 nan 0.000 0.406 9 I N 0.067 120.542 120.570 -0.159 0.000 2.163 9 I HA -0.312 3.858 4.170 0.000 0.000 0.243 9 I C 2.417 178.462 176.117 -0.120 0.000 1.085 9 I CA 0.937 62.087 61.300 -0.251 0.000 1.347 9 I CB -0.377 37.360 38.000 -0.438 0.000 1.044 9 I HN 0.267 nan 8.210 nan 0.000 0.408 10 L N 0.550 121.721 121.223 -0.086 0.000 2.013 10 L HA -0.292 4.048 4.340 0.000 0.000 0.212 10 L C 2.505 179.311 176.870 -0.107 0.000 1.073 10 L CA 1.940 56.738 54.840 -0.071 0.000 0.753 10 L CB -0.886 41.142 42.059 -0.053 0.000 0.890 10 L HN 0.276 nan 8.230 nan 0.000 0.432 11 Q N -0.825 118.885 119.800 -0.151 0.000 2.124 11 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 11 Q C 1.756 177.642 176.000 -0.190 0.000 0.977 11 Q CA 1.331 56.960 55.803 -0.290 0.000 0.850 11 Q CB 0.152 28.508 28.738 -0.636 0.000 0.901 11 Q HN 0.470 nan 8.270 nan 0.000 0.429 12 K N -0.801 119.527 120.400 -0.120 0.000 2.323 12 K HA 0.031 4.351 4.320 0.000 0.000 0.197 12 K C 1.853 178.410 176.600 -0.071 0.000 1.043 12 K CA 1.338 57.574 56.287 -0.086 0.000 0.997 12 K CB 0.414 32.874 32.500 -0.066 0.000 0.807 12 K HN 0.360 nan 8.250 nan 0.000 0.497 13 T N -3.475 111.038 114.554 -0.067 0.000 2.964 13 T HA 0.322 4.672 4.350 0.000 0.000 0.250 13 T C 0.928 175.595 174.700 -0.055 0.000 0.982 13 T CA 0.474 62.553 62.100 -0.036 0.000 0.959 13 T CB 0.572 69.466 68.868 0.043 0.000 1.141 13 T HN 0.267 nan 8.240 nan 0.000 0.494 17 E N 1.256 121.450 120.200 -0.010 0.000 2.152 17 E HA 0.180 4.531 4.350 0.000 0.000 0.285 17 E C 0.683 177.310 176.600 0.045 0.000 1.043 17 E CA -0.099 56.324 56.400 0.037 0.000 0.839 17 E CB 1.362 31.139 29.700 0.129 0.000 1.069 17 E HN 0.720 nan 8.360 nan 0.000 0.399 18 A N 3.919 126.767 122.820 0.047 0.000 1.927 18 A HA -0.227 4.094 4.320 0.000 0.000 0.220 18 A C 2.179 179.798 177.584 0.058 0.000 1.185 18 A CA 2.193 54.291 52.037 0.102 0.000 0.639 18 A CB -0.902 18.117 19.000 0.031 0.000 0.820 18 A HN 0.541 nan 8.150 nan 0.000 0.451 19 V N -3.505 116.404 119.914 -0.009 0.000 2.913 19 V HA -0.158 3.963 4.120 0.000 0.000 0.260 19 V C 1.726 177.697 176.094 -0.205 0.000 1.098 19 V CA 2.204 64.448 62.300 -0.094 0.000 1.121 19 V CB -1.453 30.266 31.823 -0.173 0.000 0.714 19 V HN 0.676 nan 8.190 nan 0.000 0.487 20 H N 0.367 119.437 119.070 0.000 0.000 2.529 20 H HA 0.328 4.884 4.556 0.000 0.000 0.277 20 H C 1.618 176.917 175.328 -0.049 0.000 1.004 20 H CA 0.544 56.582 56.048 -0.017 0.000 1.167 20 H CB 0.448 30.195 29.762 -0.024 0.000 1.445 20 H HN 0.750 nan 8.280 nan 0.000 0.554 21 S N -1.988 113.718 115.700 0.011 0.000 4.848 21 S HA -0.019 4.451 4.470 0.000 0.000 0.151 21 S C 1.329 175.931 174.600 0.004 0.000 1.055 21 S CA -0.519 57.646 58.200 -0.059 0.000 1.208 21 S CB -0.272 62.660 63.200 -0.445 0.000 2.035 21 S HN 0.176 nan 8.310 nan 0.000 0.792 22 Y N 2.768 123.159 120.300 0.151 0.000 2.256 22 Y HA 0.035 4.585 4.550 0.000 0.000 0.288 22 Y C 3.025 179.026 175.900 0.169 0.000 1.155 22 Y CA 0.990 59.166 58.100 0.126 0.000 1.203 22 Y CB -0.583 37.877 38.460 -0.001 0.000 0.980 22 Y HN 0.566 nan 8.280 nan 0.000 0.530 23 A N 0.679 123.656 122.820 0.262 0.000 2.076 23 A HA -0.154 4.166 4.320 0.000 0.000 0.220 23 A C 1.704 179.435 177.584 0.244 0.000 1.160 23 A CA 1.914 54.097 52.037 0.244 0.000 0.653 23 A CB -1.145 17.951 19.000 0.161 0.000 0.801 23 A HN 0.701 nan 8.150 nan 0.000 0.455 24 I N -6.052 114.610 120.570 0.153 0.000 3.817 24 I HA 0.435 4.606 4.170 0.000 0.000 0.325 24 I C -0.199 175.975 176.117 0.095 0.000 1.550 24 I CA -0.765 60.563 61.300 0.047 0.000 1.100 24 I CB 0.281 38.108 38.000 -0.289 0.000 1.216 24 I HN 0.066 nan 8.210 nan 0.000 0.481 25 Y N 2.783 123.132 120.300 0.081 0.000 2.328 25 Y HA 0.707 5.257 4.550 0.000 0.000 0.337 25 Y C 1.005 176.970 175.900 0.107 0.000 1.008 25 Y CA 0.593 58.736 58.100 0.073 0.000 1.129 25 Y CB 0.852 39.362 38.460 0.083 0.000 1.185 25 Y HN 0.486 nan 8.280 nan 0.000 0.476 26 G N 2.980 111.732 108.800 -0.079 0.000 2.569 26 G HA2 -0.298 3.662 3.960 0.000 0.000 0.259 26 G HA3 -0.298 3.662 3.960 0.000 0.000 0.259 26 G C 0.476 175.454 174.900 0.131 0.000 1.263 26 G CA -0.128 44.910 45.100 -0.103 0.000 0.928 26 G HN 0.831 nan 8.290 nan 0.000 0.572 27 c N -1.051 117.601 118.600 0.087 0.000 2.912 27 c HA 0.494 5.064 4.570 0.000 0.000 0.274 27 c C 1.738 175.580 174.090 -0.413 0.000 1.248 27 c CA 1.119 57.403 56.329 -0.075 0.000 1.694 27 c CB -0.966 41.490 42.510 -0.089 0.000 2.024 27 c HN 0.504 nan 8.230 nan 0.000 0.605 28 Y N -2.520 117.871 120.300 0.151 0.000 2.494 28 Y HA 0.138 4.688 4.550 0.000 0.000 0.271 28 Y C 2.313 178.329 175.900 0.194 0.000 1.113 28 Y CA 0.123 58.324 58.100 0.168 0.000 1.240 28 Y CB -0.491 38.080 38.460 0.185 0.000 1.268 28 Y HN 0.175 nan 8.280 nan 0.000 0.510 29 c N 0.160 118.969 118.600 0.348 0.000 2.475 29 c HA 0.225 4.795 4.570 0.000 0.000 0.279 29 c C 2.004 176.288 174.090 0.325 0.000 1.322 29 c CA 1.032 57.565 56.329 0.340 0.000 1.734 29 c CB -1.212 41.544 42.510 0.410 0.000 2.005 29 c HN 0.579 nan 8.230 nan 0.000 0.495 30 G N -1.827 107.164 108.800 0.319 0.000 2.630 30 G HA2 0.324 4.284 3.960 0.000 0.000 0.223 30 G HA3 0.324 4.284 3.960 0.000 0.000 0.223 30 G C -1.204 173.907 174.900 0.352 0.000 1.434 30 G CA -0.450 44.867 45.100 0.361 0.000 1.057 30 G HN 0.430 nan 8.290 nan 0.000 0.570 31 W N 1.238 122.594 121.300 0.093 0.000 2.110 31 W HA 0.534 5.194 4.660 0.000 0.000 0.450 31 W C 0.748 177.281 176.519 0.025 0.000 0.893 31 W CA 0.072 57.457 57.345 0.067 0.000 1.688 31 W CB 0.285 29.788 29.460 0.072 0.000 1.779 31 W HN 0.677 nan 8.180 nan 0.000 0.300 32 G N -0.251 108.590 108.800 0.069 0.000 3.190 32 G HA2 0.484 4.444 3.960 0.000 0.000 0.191 32 G HA3 0.484 4.444 3.960 0.000 0.000 0.191 32 G C 0.859 175.664 174.900 -0.159 0.000 1.523 32 G CA 0.191 45.245 45.100 -0.077 0.000 0.842 32 G HN 0.720 nan 8.290 nan 0.000 0.782 33 G N -0.733 107.852 108.800 -0.358 0.000 2.157 33 G HA2 -0.044 3.916 3.960 0.000 0.000 0.248 33 G HA3 -0.044 3.916 3.960 0.000 0.000 0.248 33 G C 0.194 175.021 174.900 -0.123 0.000 0.979 33 G CA 1.406 46.438 45.100 -0.113 0.000 0.650 33 G HN 1.336 nan 8.290 nan 0.000 0.529 34 Q N -1.789 117.787 119.800 -0.375 0.000 2.648 34 Q HA 0.688 5.028 4.340 0.000 0.000 0.300 34 Q C 0.337 176.230 176.000 -0.178 0.000 0.954 34 Q CA -0.341 55.380 55.803 -0.138 0.000 0.757 34 Q CB 1.626 30.344 28.738 -0.033 0.000 1.482 34 Q HN 1.973 nan 8.270 nan 0.000 0.437 35 G N 0.521 109.331 108.800 0.017 0.000 2.685 35 G HA2 -0.186 3.775 3.960 0.000 0.000 0.387 35 G HA3 -0.186 3.775 3.960 0.000 0.000 0.387 35 G C -1.273 173.725 174.900 0.163 0.000 1.324 35 G CA -0.401 44.739 45.100 0.067 0.000 0.878 35 G HN 0.715 nan 8.290 nan 0.000 0.527 36 R N 0.343 120.927 120.500 0.140 0.000 2.340 36 R HA 0.571 4.911 4.340 0.000 0.000 0.300 36 R C 0.898 177.286 176.300 0.146 0.000 1.069 36 R CA 0.141 56.304 56.100 0.105 0.000 0.984 36 R CB 0.537 30.866 30.300 0.049 0.000 1.003 36 R HN 1.432 nan 8.270 nan 0.000 0.459 37 A N 4.015 126.883 122.820 0.081 0.000 2.484 37 A HA 0.010 4.330 4.320 0.000 0.000 0.268 37 A C 0.825 178.354 177.584 -0.092 0.000 1.114 37 A CA -0.208 51.856 52.037 0.046 0.000 0.780 37 A CB 0.557 19.454 19.000 -0.172 0.000 1.061 37 A HN 0.829 nan 8.150 nan 0.000 0.505 38 Q N 1.130 120.795 119.800 -0.226 0.000 2.224 38 Q HA -0.038 4.302 4.340 0.000 0.000 0.203 38 Q C 0.048 175.780 176.000 -0.447 0.000 0.970 38 Q CA 1.761 57.236 55.803 -0.547 0.000 0.865 38 Q CB -0.051 27.888 28.738 -1.331 0.000 0.922 38 Q HN 1.037 nan 8.270 nan 0.000 0.445 39 D N -3.847 116.396 120.400 -0.263 0.000 2.879 39 D HA 0.214 4.854 4.640 0.000 0.000 0.346 39 D C 0.242 176.526 176.300 -0.027 0.000 1.390 39 D CA 0.105 54.035 54.000 -0.117 0.000 0.838 39 D CB -0.320 40.437 40.800 -0.072 0.000 1.416 39 D HN -0.154 nan 8.370 nan 0.000 0.493 40 A N -0.199 122.630 122.820 0.015 0.000 1.902 40 A HA -0.072 4.248 4.320 0.000 0.000 0.217 40 A C 1.994 179.600 177.584 0.037 0.000 1.181 40 A CA 2.715 54.766 52.037 0.024 0.000 0.623 40 A CB -1.350 17.670 19.000 0.034 0.000 0.818 40 A HN 0.598 nan 8.150 nan 0.000 0.443 41 T N -0.272 114.321 114.554 0.066 0.000 2.684 41 T HA -0.167 4.184 4.350 0.000 0.000 0.267 41 T C 1.737 176.484 174.700 0.080 0.000 1.036 41 T CA 1.840 63.973 62.100 0.054 0.000 1.148 41 T CB -0.428 68.443 68.868 0.005 0.000 0.863 41 T HN 0.529 nan 8.240 nan 0.000 0.436 42 D N 0.393 120.878 120.400 0.142 0.000 2.144 42 D HA -0.017 4.623 4.640 0.000 0.000 0.199 42 D C 2.411 178.792 176.300 0.135 0.000 0.984 42 D CA 0.864 54.980 54.000 0.194 0.000 0.834 42 D CB -0.061 40.815 40.800 0.127 0.000 0.955 42 D HN 0.248 nan 8.370 nan 0.000 0.465 43 R N -0.481 120.051 120.500 0.054 0.000 2.120 43 R HA -0.076 4.264 4.340 0.000 0.000 0.234 43 R C 2.522 178.846 176.300 0.040 0.000 1.123 43 R CA 1.028 57.150 56.100 0.036 0.000 0.975 43 R CB -0.474 29.830 30.300 0.007 0.000 0.866 43 R HN 0.302 nan 8.270 nan 0.000 0.446 44 c N -0.231 118.381 118.600 0.019 0.000 2.401 44 c HA -0.186 4.384 4.570 0.000 0.000 0.276 44 c C 2.883 176.965 174.090 -0.014 0.000 1.233 44 c CA 0.340 56.660 56.329 -0.016 0.000 1.753 44 c CB -0.951 41.540 42.510 -0.032 0.000 2.029 44 c HN 0.612 nan 8.230 nan 0.000 0.478 45 c N -0.379 118.258 118.600 0.063 0.000 2.457 45 c HA -0.071 4.499 4.570 0.000 0.000 0.278 45 c C 2.448 176.594 174.090 0.093 0.000 1.309 45 c CA 0.677 57.068 56.329 0.103 0.000 1.735 45 c CB -1.649 40.995 42.510 0.225 0.000 1.992 45 c HN 0.695 nan 8.230 nan 0.000 0.493 46 F N 2.172 122.085 119.950 -0.061 0.000 2.134 46 F HA -0.125 4.402 4.527 0.000 0.000 0.299 46 F C 2.377 178.067 175.800 -0.183 0.000 1.097 46 F CA 1.494 59.360 58.000 -0.224 0.000 1.264 46 F CB -0.162 38.479 39.000 -0.598 0.000 1.001 46 F HN 0.165 nan 8.300 nan 0.000 0.479 47 A N -0.159 122.459 122.820 -0.337 0.000 1.933 47 A HA -0.255 4.065 4.320 0.000 0.000 0.218 47 A C 2.196 179.532 177.584 -0.412 0.000 1.175 47 A CA 1.719 53.518 52.037 -0.397 0.000 0.628 47 A CB -0.990 17.888 19.000 -0.203 0.000 0.814 47 A HN 0.607 nan 8.150 nan 0.000 0.444 48 Q N -0.417 119.159 119.800 -0.374 0.000 2.050 48 Q HA -0.244 4.096 4.340 0.000 0.000 0.202 48 Q C 1.370 176.980 176.000 -0.649 0.000 0.980 48 Q CA 1.847 57.324 55.803 -0.543 0.000 0.840 48 Q CB -0.205 28.190 28.738 -0.572 0.000 0.898 48 Q HN 0.601 nan 8.270 nan 0.000 0.424 49 D N -0.017 120.112 120.400 -0.451 0.000 2.106 49 D HA -0.197 4.444 4.640 0.000 0.000 0.191 49 D C 1.987 178.109 176.300 -0.297 0.000 0.997 49 D CA 1.501 55.330 54.000 -0.284 0.000 0.834 49 D CB -0.642 40.095 40.800 -0.105 0.000 0.956 49 D HN 0.350 nan 8.370 nan 0.000 0.448 50 c N 0.165 118.466 118.600 -0.498 0.000 2.413 50 c HA -0.146 4.424 4.570 0.000 0.000 0.276 50 c C 3.067 177.020 174.090 -0.229 0.000 1.248 50 c CA 0.314 56.410 56.329 -0.390 0.000 1.742 50 c CB -1.033 41.158 42.510 -0.532 0.000 2.017 50 c HN 0.525 nan 8.230 nan 0.000 0.481 51 c N -0.161 118.282 118.600 -0.262 0.000 2.429 51 c HA -0.122 4.448 4.570 0.000 0.000 0.277 51 c C 2.649 176.723 174.090 -0.026 0.000 1.262 51 c CA 0.947 57.174 56.329 -0.170 0.000 1.733 51 c CB -1.553 40.818 42.510 -0.233 0.000 2.010 51 c HN 0.648 nan 8.230 nan 0.000 0.483 52 Y N 1.247 121.459 120.300 -0.147 0.000 2.256 52 Y HA 0.017 4.567 4.550 0.000 0.000 0.288 52 Y C 2.686 178.533 175.900 -0.088 0.000 1.155 52 Y CA 1.362 59.394 58.100 -0.114 0.000 1.203 52 Y CB -1.443 36.952 38.460 -0.109 0.000 0.980 52 Y HN 0.471 nan 8.280 nan 0.000 0.530 53 G N -0.704 108.140 108.800 0.072 0.000 2.744 53 G HA2 -0.123 3.837 3.960 0.000 0.000 0.211 53 G HA3 -0.123 3.837 3.960 0.000 0.000 0.211 53 G C 1.765 176.664 174.900 -0.002 0.000 1.143 53 G CA -0.014 45.098 45.100 0.021 0.000 0.788 53 G HN 0.175 nan 8.290 nan 0.000 0.534 54 R N 0.657 121.152 120.500 -0.008 0.000 2.275 54 R HA 0.062 4.402 4.340 0.000 0.000 0.199 54 R C 0.367 176.659 176.300 -0.013 0.000 0.989 54 R CA 0.381 56.471 56.100 -0.018 0.000 1.016 54 R CB -0.276 30.007 30.300 -0.028 0.000 0.918 54 R HN 0.655 nan 8.270 nan 0.000 0.473 55 N N -0.291 118.405 118.700 -0.007 0.000 2.455 55 N HA 0.289 5.029 4.740 0.000 0.000 0.278 55 N C -0.922 174.576 175.510 -0.019 0.000 1.291 55 N CA -0.817 52.224 53.050 -0.015 0.000 0.780 55 N CB 1.522 39.998 38.487 -0.018 0.000 1.520 55 N HN -0.274 nan 8.380 nan 0.000 0.486 68 P HA -0.081 nan 4.420 nan 0.000 0.221 68 P C 1.057 178.230 177.300 -0.212 0.000 1.145 68 P CA 0.863 63.700 63.100 -0.439 0.000 0.795 68 P CB 0.447 31.472 31.700 -1.124 0.000 0.775 69 K N -0.777 119.539 120.400 -0.140 0.000 2.097 69 K HA -0.048 4.272 4.320 0.000 0.000 0.205 69 K C 1.916 178.488 176.600 -0.046 0.000 1.050 69 K CA 2.039 58.291 56.287 -0.059 0.000 0.938 69 K CB -1.377 31.096 32.500 -0.045 0.000 0.718 69 K HN 0.323 nan 8.250 nan 0.000 0.442 70 T N -2.316 112.200 114.554 -0.062 0.000 2.990 70 T HA 0.321 4.672 4.350 0.000 0.000 0.250 70 T C 0.825 175.486 174.700 -0.065 0.000 1.041 70 T CA -0.021 62.046 62.100 -0.054 0.000 1.010 70 T CB 0.129 68.970 68.868 -0.046 0.000 1.003 70 T HN 0.058 nan 8.240 nan 0.000 0.499 71 A N 2.129 124.908 122.820 -0.068 0.000 2.526 71 A HA 0.439 4.759 4.320 0.000 0.000 0.267 71 A C 0.321 177.841 177.584 -0.107 0.000 1.095 71 A CA 0.037 52.048 52.037 -0.043 0.000 0.775 71 A CB -0.545 18.453 19.000 -0.004 0.000 1.036 71 A HN 0.373 nan 8.150 nan 0.000 0.510 72 T N 4.654 119.142 114.554 -0.109 0.000 2.929 72 T HA 0.475 4.825 4.350 0.000 0.000 0.331 72 T C -0.322 174.311 174.700 -0.112 0.000 1.120 72 T CA -0.054 61.925 62.100 -0.201 0.000 0.973 72 T CB -0.482 68.311 68.868 -0.126 0.000 1.036 72 T HN 0.545 nan 8.240 nan 0.000 0.502 73 Y N 0.487 120.829 120.300 0.069 0.000 2.408 73 Y HA 0.742 5.293 4.550 0.000 0.000 0.324 73 Y C 0.744 176.720 175.900 0.128 0.000 1.302 73 Y CA -1.703 56.441 58.100 0.072 0.000 1.384 73 Y CB -0.101 38.390 38.460 0.052 0.000 1.367 73 Y HN 0.354 nan 8.280 nan 0.000 0.525 74 T N 0.861 115.636 114.554 0.368 0.000 2.767 74 T HA 0.618 4.968 4.350 0.000 0.000 0.284 74 T C -1.231 173.663 174.700 0.324 0.000 0.973 74 T CA -0.400 61.852 62.100 0.253 0.000 0.996 74 T CB -0.357 68.572 68.868 0.102 0.000 0.927 74 T HN 0.895 nan 8.240 nan 0.000 0.456 75 Y N 1.197 121.563 120.300 0.110 0.000 2.597 75 Y HA 0.771 5.321 4.550 0.000 0.000 0.340 75 Y C -0.812 175.032 175.900 -0.093 0.000 1.097 75 Y CA -1.007 57.101 58.100 0.013 0.000 1.037 75 Y CB 1.224 39.706 38.460 0.037 0.000 1.305 75 Y HN 0.872 nan 8.280 nan 0.000 0.463 76 S N 0.993 116.536 115.700 -0.262 0.000 2.651 76 S HA 0.697 5.167 4.470 0.000 0.000 0.279 76 S C -1.674 172.788 174.600 -0.230 0.000 1.148 76 S CA -1.008 56.924 58.200 -0.447 0.000 0.837 76 S CB 1.398 64.465 63.200 -0.221 0.000 1.138 76 S HN 0.617 nan 8.310 nan 0.000 0.478 77 F N 0.897 120.866 119.950 0.032 0.000 2.410 77 F HA 0.513 5.040 4.527 0.000 0.000 0.349 77 F C 0.881 176.701 175.800 0.034 0.000 1.117 77 F CA -0.366 57.677 58.000 0.071 0.000 1.104 77 F CB 1.208 40.251 39.000 0.073 0.000 1.122 77 F HN 0.522 nan 8.300 nan 0.000 0.483 78 E N 3.092 123.426 120.200 0.224 0.000 2.373 78 E HA 0.092 4.442 4.350 0.000 0.000 0.251 78 E C -0.743 175.917 176.600 0.100 0.000 0.923 78 E CA -0.506 55.967 56.400 0.121 0.000 0.798 78 E CB 1.167 30.917 29.700 0.083 0.000 1.303 78 E HN 0.778 nan 8.360 nan 0.000 0.412 79 N N 2.204 120.953 118.700 0.081 0.000 2.714 79 N HA -0.272 4.468 4.740 0.000 0.000 0.253 79 N C 0.718 176.257 175.510 0.049 0.000 1.024 79 N CA 0.438 53.519 53.050 0.051 0.000 0.726 79 N CB -0.521 37.988 38.487 0.038 0.000 0.908 79 N HN 0.952 nan 8.380 nan 0.000 0.542 80 G N -0.319 108.514 108.800 0.055 0.000 2.196 80 G HA2 -0.346 3.614 3.960 0.000 0.000 0.268 80 G HA3 -0.346 3.614 3.960 0.000 0.000 0.268 80 G C -0.058 174.880 174.900 0.064 0.000 0.975 80 G CA 0.755 45.868 45.100 0.022 0.000 0.648 80 G HN 0.704 nan 8.290 nan 0.000 0.538 81 D N -0.300 120.166 120.400 0.109 0.000 2.340 81 D HA 0.592 5.232 4.640 0.000 0.000 0.251 81 D C 0.594 177.043 176.300 0.247 0.000 1.080 81 D CA -0.678 53.398 54.000 0.128 0.000 0.971 81 D CB 0.596 41.449 40.800 0.089 0.000 1.137 81 D HN 0.195 nan 8.370 nan 0.000 0.475 82 I N 1.645 122.359 120.570 0.240 0.000 2.336 82 I HA 0.260 4.430 4.170 0.000 0.000 0.292 82 I C -0.576 175.632 176.117 0.152 0.000 0.991 82 I CA -0.842 60.630 61.300 0.287 0.000 1.227 82 I CB 1.751 39.910 38.000 0.265 0.000 1.366 82 I HN 0.031 nan 8.210 nan 0.000 0.466 83 V N 5.817 125.811 119.914 0.133 0.000 2.409 83 V HA 0.260 4.380 4.120 0.000 0.000 0.291 83 V C -0.349 175.789 176.094 0.074 0.000 1.020 83 V CA -0.624 61.721 62.300 0.076 0.000 0.848 83 V CB 1.611 33.467 31.823 0.056 0.000 0.990 83 V HN 0.795 nan 8.190 nan 0.000 0.430 84 c N 4.165 122.782 118.600 0.029 0.000 2.394 84 c HA 0.466 5.036 4.570 0.000 0.000 0.362 84 c C 1.695 175.798 174.090 0.022 0.000 1.268 84 c CA 0.029 56.365 56.329 0.011 0.000 1.828 84 c CB 0.162 42.623 42.510 -0.083 0.000 2.442 84 c HN 1.104 nan 8.230 nan 0.000 0.549 85 G N 2.137 110.968 108.800 0.052 0.000 2.777 85 G HA2 0.008 3.968 3.960 0.000 0.000 0.211 85 G HA3 0.008 3.968 3.960 0.000 0.000 0.211 85 G C 0.351 175.270 174.900 0.031 0.000 1.149 85 G CA 0.168 45.290 45.100 0.036 0.000 0.785 85 G HN 0.697 nan 8.290 nan 0.000 0.536 89 D N 0.356 120.759 120.400 0.005 0.000 2.348 89 D HA 0.027 4.667 4.640 0.000 0.000 0.272 89 D C 1.380 177.677 176.300 -0.005 0.000 1.237 89 D CA -0.259 53.742 54.000 0.001 0.000 1.042 89 D CB 0.143 40.947 40.800 0.006 0.000 1.117 89 D HN 0.072 nan 8.370 nan 0.000 0.548 90 L N -0.773 120.446 121.223 -0.007 0.000 2.276 90 L HA 0.127 4.467 4.340 0.000 0.000 0.194 90 L C 2.347 179.208 176.870 -0.015 0.000 1.099 90 L CA 0.895 55.728 54.840 -0.012 0.000 0.800 90 L CB -0.675 41.376 42.059 -0.014 0.000 0.994 90 L HN 0.601 nan 8.230 nan 0.000 0.475 91 c N 0.068 118.660 118.600 -0.013 0.000 2.442 91 c HA -0.117 4.453 4.570 0.000 0.000 0.279 91 c C 2.739 176.828 174.090 -0.001 0.000 1.237 91 c CA 1.079 57.397 56.329 -0.018 0.000 1.722 91 c CB -1.163 41.334 42.510 -0.023 0.000 2.056 91 c HN 0.576 nan 8.230 nan 0.000 0.469 92 L N 0.335 121.574 121.223 0.027 0.000 2.012 92 L HA -0.188 4.152 4.340 0.000 0.000 0.210 92 L C 2.869 179.762 176.870 0.037 0.000 1.073 92 L CA 1.660 56.553 54.840 0.088 0.000 0.748 92 L CB -0.783 41.346 42.059 0.117 0.000 0.891 92 L HN 0.372 nan 8.230 nan 0.000 0.431 93 R N 0.198 120.696 120.500 -0.003 0.000 2.081 93 R HA -0.190 4.150 4.340 0.000 0.000 0.235 93 R C 2.335 178.580 176.300 -0.092 0.000 1.131 93 R CA 1.550 57.618 56.100 -0.054 0.000 0.960 93 R CB -0.238 30.043 30.300 -0.031 0.000 0.856 93 R HN 0.364 nan 8.270 nan 0.000 0.436 94 A N 0.055 122.841 122.820 -0.057 0.000 1.898 94 A HA -0.082 4.238 4.320 0.000 0.000 0.216 94 A C 2.248 179.801 177.584 -0.052 0.000 1.181 94 A CA 1.420 53.427 52.037 -0.051 0.000 0.620 94 A CB -0.447 18.536 19.000 -0.029 0.000 0.819 94 A HN 0.226 nan 8.150 nan 0.000 0.442 95 V N -1.009 118.875 119.914 -0.050 0.000 2.295 95 V HA -0.295 3.825 4.120 0.000 0.000 0.246 95 V C 2.693 178.687 176.094 -0.166 0.000 1.049 95 V CA 1.894 64.186 62.300 -0.013 0.000 1.024 95 V CB -1.055 30.777 31.823 0.014 0.000 0.648 95 V HN 0.803 nan 8.190 nan 0.000 0.447 96 c N 0.380 118.663 118.600 -0.529 0.000 2.413 96 c HA -0.156 4.414 4.570 0.000 0.000 0.276 96 c C 2.831 176.630 174.090 -0.485 0.000 1.236 96 c CA 1.335 57.013 56.329 -1.084 0.000 1.735 96 c CB -1.011 40.850 42.510 -1.082 0.000 2.031 96 c HN 0.606 nan 8.230 nan 0.000 0.474 97 E N 0.029 120.065 120.200 -0.274 0.000 2.085 97 E HA -0.184 4.166 4.350 0.000 0.000 0.194 97 E C 2.294 178.807 176.600 -0.145 0.000 0.994 97 E CA 1.680 57.980 56.400 -0.166 0.000 0.801 97 E CB -0.831 28.803 29.700 -0.110 0.000 0.743 97 E HN 0.778 nan 8.360 nan 0.000 0.453 98 c N 1.428 119.950 118.600 -0.130 0.000 2.413 98 c HA -0.149 4.421 4.570 0.000 0.000 0.276 98 c C 2.282 176.224 174.090 -0.247 0.000 1.236 98 c CA 0.828 57.057 56.329 -0.166 0.000 1.735 98 c CB -0.887 41.558 42.510 -0.108 0.000 2.031 98 c HN 0.395 nan 8.230 nan 0.000 0.474 99 D N 0.001 120.261 120.400 -0.233 0.000 2.144 99 D HA -0.113 4.527 4.640 0.000 0.000 0.200 99 D C 2.297 178.581 176.300 -0.027 0.000 0.978 99 D CA 0.896 54.737 54.000 -0.265 0.000 0.833 99 D CB -0.537 40.196 40.800 -0.112 0.000 0.961 99 D HN 0.505 nan 8.370 nan 0.000 0.470 100 R N 0.761 121.211 120.500 -0.084 0.000 2.073 100 R HA -0.094 4.246 4.340 0.000 0.000 0.234 100 R C 2.083 178.380 176.300 -0.005 0.000 1.134 100 R CA 1.482 57.570 56.100 -0.020 0.000 0.952 100 R CB -0.206 30.059 30.300 -0.058 0.000 0.850 100 R HN 0.104 nan 8.270 nan 0.000 0.433 101 A N 0.835 123.623 122.820 -0.054 0.000 1.908 101 A HA -0.163 4.158 4.320 0.000 0.000 0.218 101 A C 2.372 179.931 177.584 -0.043 0.000 1.181 101 A CA 1.943 53.945 52.037 -0.058 0.000 0.627 101 A CB -0.822 18.121 19.000 -0.095 0.000 0.818 101 A HN 0.582 nan 8.150 nan 0.000 0.445 102 A N -0.477 122.321 122.820 -0.037 0.000 1.897 102 A HA 0.258 4.578 4.320 0.000 0.000 0.215 102 A C 2.502 180.143 177.584 0.095 0.000 1.181 102 A CA 1.875 53.925 52.037 0.020 0.000 0.620 102 A CB -0.959 18.037 19.000 -0.007 0.000 0.821 102 A HN 1.028 nan 8.150 nan 0.000 0.443 103 A N 0.091 123.021 122.820 0.184 0.000 1.877 103 A HA -0.073 4.247 4.320 0.000 0.000 0.216 103 A C 2.101 179.668 177.584 -0.028 0.000 1.186 103 A CA 1.459 53.515 52.037 0.031 0.000 0.620 103 A CB -0.647 18.403 19.000 0.083 0.000 0.822 103 A HN 0.472 nan 8.150 nan 0.000 0.443 104 I N -0.756 119.815 120.570 0.001 0.000 2.151 104 I HA -0.365 3.805 4.170 0.000 0.000 0.243 104 I C 2.730 178.828 176.117 -0.031 0.000 1.080 104 I CA 1.568 62.859 61.300 -0.014 0.000 1.339 104 I CB -0.397 37.599 38.000 -0.006 0.000 1.039 104 I HN 0.577 nan 8.210 nan 0.000 0.409 105 c N 0.999 119.577 118.600 -0.036 0.000 2.446 105 c HA -0.122 4.448 4.570 0.000 0.000 0.277 105 c C 2.746 176.804 174.090 -0.053 0.000 1.275 105 c CA 0.713 57.018 56.329 -0.040 0.000 1.727 105 c CB -1.005 41.478 42.510 -0.044 0.000 2.010 105 c HN 0.405 nan 8.230 nan 0.000 0.486 106 L N 0.765 121.927 121.223 -0.102 0.000 2.083 106 L HA 0.005 4.345 4.340 0.000 0.000 0.209 106 L C 2.839 179.666 176.870 -0.072 0.000 1.083 106 L CA 1.730 56.473 54.840 -0.162 0.000 0.752 106 L CB -1.075 40.714 42.059 -0.450 0.000 0.899 106 L HN 0.571 nan 8.230 nan 0.000 0.433 107 G N -0.573 108.187 108.800 -0.067 0.000 2.443 107 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 107 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 107 G C 1.374 176.268 174.900 -0.011 0.000 1.131 107 G CA 0.272 45.352 45.100 -0.033 0.000 0.775 107 G HN 0.411 nan 8.290 nan 0.000 0.547 108 E N 0.354 120.548 120.200 -0.011 0.000 2.268 108 E HA -0.027 4.324 4.350 0.000 0.000 0.195 108 E C 1.234 177.844 176.600 0.017 0.000 0.995 108 E CA 0.488 56.889 56.400 0.000 0.000 0.836 108 E CB 0.094 29.791 29.700 -0.005 0.000 0.763 108 E HN 0.342 nan 8.360 nan 0.000 0.491 109 N N 0.191 118.909 118.700 0.030 0.000 2.200 109 N HA -0.002 4.738 4.740 0.000 0.000 0.224 109 N C 1.514 177.090 175.510 0.109 0.000 1.179 109 N CA 0.261 53.347 53.050 0.061 0.000 0.877 109 N CB 1.352 39.872 38.487 0.055 0.000 1.072 109 N HN 0.057 nan 8.380 nan 0.000 0.519 110 V N -0.063 119.909 119.914 0.097 0.000 2.568 110 V HA -0.255 3.865 4.120 0.000 0.000 0.253 110 V C 1.891 178.059 176.094 0.124 0.000 1.072 110 V CA 2.012 64.384 62.300 0.120 0.000 1.084 110 V CB -1.255 30.594 31.823 0.043 0.000 0.676 110 V HN 0.363 nan 8.190 nan 0.000 0.469 111 N N 2.217 120.971 118.700 0.088 0.000 2.348 111 N HA -0.197 4.543 4.740 0.000 0.000 0.185 111 N C 1.389 176.962 175.510 0.105 0.000 1.019 111 N CA 1.694 54.792 53.050 0.080 0.000 0.880 111 N CB -0.504 38.014 38.487 0.052 0.000 0.965 111 N HN 0.699 nan 8.380 nan 0.000 0.437 112 T N -4.949 109.688 114.554 0.138 0.000 3.084 112 T HA 0.064 4.414 4.350 0.000 0.000 0.270 112 T C -0.025 174.808 174.700 0.221 0.000 1.008 112 T CA -0.761 61.429 62.100 0.149 0.000 0.900 112 T CB -0.692 68.246 68.868 0.118 0.000 1.084 112 T HN 0.268 nan 8.240 nan 0.000 0.538 113 Y N 3.434 123.809 120.300 0.126 0.000 2.802 113 Y HA 0.287 4.837 4.550 0.000 0.000 0.333 113 Y C -0.187 175.847 175.900 0.223 0.000 1.244 113 Y CA -0.259 57.944 58.100 0.172 0.000 1.558 113 Y CB 0.168 38.650 38.460 0.036 0.000 1.233 113 Y HN 0.229 nan 8.280 nan 0.000 0.547 114 D N 5.815 126.209 120.400 -0.010 0.000 2.505 114 D HA 0.194 4.834 4.640 0.000 0.000 0.250 114 D C 0.161 176.332 176.300 -0.216 0.000 1.164 114 D CA -0.576 53.394 54.000 -0.049 0.000 0.870 114 D CB 1.159 41.905 40.800 -0.090 0.000 1.160 114 D HN 0.619 nan 8.370 nan 0.000 0.549 115 K N 2.177 122.546 120.400 -0.052 0.000 2.360 115 K HA -0.095 4.226 4.320 0.000 0.000 0.201 115 K C 0.731 177.252 176.600 -0.132 0.000 1.046 115 K CA 0.522 56.814 56.287 0.008 0.000 0.940 115 K CB 0.156 32.716 32.500 0.101 0.000 0.748 115 K HN 0.360 nan 8.250 nan 0.000 0.465 116 N N 0.014 118.546 118.700 -0.280 0.000 2.550 116 N HA -0.085 4.655 4.740 0.000 0.000 0.186 116 N C 0.738 175.997 175.510 -0.420 0.000 1.110 116 N CA 0.793 53.650 53.050 -0.322 0.000 0.912 116 N CB 0.003 38.277 38.487 -0.356 0.000 0.968 116 N HN 0.243 nan 8.380 nan 0.000 0.448 117 Y N 1.000 121.031 120.300 -0.449 0.000 2.490 117 Y HA 0.195 4.745 4.550 0.000 0.000 0.281 117 Y C 0.346 175.952 175.900 -0.490 0.000 1.174 117 Y CA -0.423 57.268 58.100 -0.682 0.000 1.295 117 Y CB -0.244 37.401 38.460 -1.358 0.000 1.062 117 Y HN -0.015 nan 8.280 nan 0.000 0.522 118 E N 0.210 120.290 120.200 -0.201 0.000 2.324 118 E HA -0.018 4.333 4.350 0.000 0.000 0.271 118 E C -0.523 176.064 176.600 -0.022 0.000 1.028 118 E CA 0.219 56.522 56.400 -0.162 0.000 0.890 118 E CB -0.001 29.611 29.700 -0.148 0.000 1.004 118 E HN 0.430 nan 8.360 nan 0.000 0.431 119 Y N -0.215 120.151 120.300 0.110 0.000 4.929 119 Y HA -0.393 4.157 4.550 0.000 0.000 0.253 119 Y C 1.059 177.049 175.900 0.149 0.000 0.946 119 Y CA 0.564 58.725 58.100 0.102 0.000 1.905 119 Y CB -2.181 36.314 38.460 0.059 0.000 1.400 119 Y HN 0.714 nan 8.280 nan 0.000 0.531 120 Y N 1.833 122.226 120.300 0.154 0.000 2.228 120 Y HA -0.338 4.212 4.550 0.000 0.000 0.285 120 Y C 2.358 178.424 175.900 0.276 0.000 1.178 120 Y CA 1.980 60.192 58.100 0.187 0.000 1.202 120 Y CB -0.232 38.252 38.460 0.039 0.000 0.974 120 Y HN 0.371 nan 8.280 nan 0.000 0.527 121 S N -0.575 115.255 115.700 0.216 0.000 2.481 121 S HA -0.045 4.425 4.470 0.000 0.000 0.231 121 S C 1.030 175.654 174.600 0.040 0.000 0.996 121 S CA 0.161 58.430 58.200 0.115 0.000 0.942 121 S CB -0.668 62.629 63.200 0.162 0.000 0.768 121 S HN 0.193 nan 8.310 nan 0.000 0.520 125 H N -0.323 118.526 119.070 -0.369 0.000 3.971 125 H HA 0.704 5.260 4.556 0.000 0.000 0.370 125 H C 0.576 175.778 175.328 -0.210 0.000 1.647 125 H CA -0.358 55.438 56.048 -0.419 0.000 1.211 125 H CB -0.193 28.928 29.762 -1.068 0.000 1.343 125 H HN 0.352 nan 8.280 nan 0.000 0.748 126 c N 0.908 119.559 118.600 0.086 0.000 4.454 126 c HA -0.150 4.420 4.570 0.000 0.000 0.298 126 c C 1.546 175.656 174.090 0.033 0.000 1.384 126 c CA 1.156 57.536 56.329 0.086 0.000 2.002 126 c CB -3.094 39.443 42.510 0.045 0.000 1.249 126 c HN 0.998 nan 8.230 nan 0.000 0.783 127 T N -2.989 111.587 114.554 0.036 0.000 3.054 127 T HA 0.242 4.593 4.350 0.000 0.000 0.255 127 T C 0.286 175.004 174.700 0.030 0.000 1.035 127 T CA 0.628 62.739 62.100 0.018 0.000 0.941 127 T CB 0.380 69.247 68.868 -0.002 0.000 1.026 127 T HN 0.896 nan 8.240 nan 0.000 0.533 128 E N 1.283 121.514 120.200 0.051 0.000 2.250 128 E HA 0.355 4.705 4.350 0.000 0.000 0.265 128 E C -0.139 176.486 176.600 0.040 0.000 1.033 128 E CA -0.980 55.446 56.400 0.044 0.000 0.888 128 E CB 0.889 30.621 29.700 0.052 0.000 1.151 128 E HN 0.289 nan 8.360 nan 0.000 0.412 129 E N 1.328 121.545 120.200 0.028 0.000 2.467 129 E HA -0.012 4.338 4.350 0.000 0.000 0.264 129 E C -0.744 175.871 176.600 0.024 0.000 1.020 129 E CA -0.037 56.377 56.400 0.023 0.000 0.945 129 E CB 0.624 30.333 29.700 0.014 0.000 0.942 129 E HN 0.523 nan 8.360 nan 0.000 0.449 130 S N 3.046 118.765 115.700 0.031 0.000 2.603 130 S HA 0.094 4.564 4.470 0.000 0.000 0.268 130 S C -0.137 174.423 174.600 -0.066 0.000 1.317 130 S CA -0.889 57.339 58.200 0.047 0.000 1.012 130 S CB 0.847 64.103 63.200 0.094 0.000 0.926 130 S HN 0.476 nan 8.310 nan 0.000 0.539 131 E N 1.544 121.590 120.200 -0.256 0.000 2.422 131 E HA 0.123 4.473 4.350 0.000 0.000 0.260 131 E C -0.287 176.090 176.600 -0.372 0.000 1.108 131 E CA 0.254 56.276 56.400 -0.628 0.000 0.943 131 E CB 0.320 29.025 29.700 -1.657 0.000 0.961 131 E HN 0.523 nan 8.360 nan 0.000 0.443 132 Q N 0.436 120.168 119.800 -0.113 0.000 2.337 132 Q HA 0.318 4.659 4.340 0.000 0.000 0.270 132 Q C -0.619 175.584 176.000 0.338 0.000 1.043 132 Q CA -0.647 55.251 55.803 0.159 0.000 0.794 132 Q CB 1.893 30.670 28.738 0.066 0.000 1.281 132 Q HN 0.522 nan 8.270 nan 0.000 0.446 133 c N 0.000 118.796 118.600 0.326 0.000 2.653 133 c HA 0.000 4.570 4.570 0.000 0.000 0.325 133 c CA 0.000 56.395 56.329 0.110 0.000 1.963 133 c CB 0.000 42.487 42.510 -0.038 0.000 2.134 133 c HN 0.000 nan 8.230 nan 0.000 0.568