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 3hhl_1_C DATA FIRST_RESID 2 DATA SEQUENCE TGHIDPTKEV FAQFRANDRE GPIHXLNLVR LRPRAAYPDG RETTGAEAYA DATA SEQUENCE AYGRDSGPVS ERLGGXVVWQ GQFELXLIGP QDEHWDHVFI AEYPSVAAFV DATA SEQUENCE EXIRDPVYRE AVXHRQAAVE DSRLIRLXPL KPG 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.625 174.700 -0.125 0.000 1.109 2 T CA 0.000 62.048 62.100 -0.086 0.000 1.349 2 T CB 0.000 68.814 68.868 -0.090 0.000 0.612 3 G N 0.545 109.283 108.800 -0.103 0.000 2.531 3 G HA2 0.626 4.586 3.960 0.000 0.000 0.313 3 G HA3 0.626 4.586 3.960 0.000 0.000 0.313 3 G C -1.002 173.793 174.900 -0.175 0.000 1.238 3 G CA -0.667 44.388 45.100 -0.075 0.000 0.994 3 G HN 0.656 nan 8.290 nan 0.000 0.493 4 H N -0.645 118.444 119.070 0.032 0.000 2.552 4 H HA 0.402 4.958 4.556 0.000 0.000 0.311 4 H C 0.648 175.988 175.328 0.020 0.000 1.071 4 H CA -0.271 55.792 56.048 0.024 0.000 1.307 4 H CB 1.783 31.564 29.762 0.031 0.000 1.416 4 H HN 0.257 nan 8.280 nan 0.000 0.464 5 I N 0.604 121.224 120.570 0.082 0.000 3.565 5 I HA 0.082 4.252 4.170 0.000 0.000 0.287 5 I C 0.059 176.197 176.117 0.035 0.000 1.193 5 I CA 0.449 61.773 61.300 0.041 0.000 1.402 5 I CB 0.556 38.551 38.000 -0.008 0.000 1.284 5 I HN 0.485 nan 8.210 nan 0.000 0.454 6 D N 1.358 121.777 120.400 0.032 0.000 2.419 6 D HA 0.387 5.027 4.640 0.000 0.000 0.234 6 D C -2.296 174.029 176.300 0.042 0.000 1.014 6 D CA -1.004 53.007 54.000 0.018 0.000 0.919 6 D CB 1.493 42.283 40.800 -0.016 0.000 1.366 6 D HN -0.044 nan 8.370 nan 0.000 0.490 7 P HA 0.159 nan 4.420 nan 0.000 0.277 7 P C -0.169 177.160 177.300 0.049 0.000 1.240 7 P CA -0.338 62.796 63.100 0.058 0.000 0.798 7 P CB 0.549 32.298 31.700 0.081 0.000 0.979 8 T N -1.528 113.071 114.554 0.074 0.000 2.882 8 T HA 0.211 4.561 4.350 0.000 0.000 0.287 8 T C 1.235 175.991 174.700 0.092 0.000 1.014 8 T CA -0.622 61.518 62.100 0.066 0.000 1.049 8 T CB 1.070 69.978 68.868 0.068 0.000 1.001 8 T HN 0.290 nan 8.240 nan 0.000 0.525 9 K N 0.808 121.251 120.400 0.072 0.000 2.044 9 K HA -0.177 4.144 4.320 0.000 0.000 0.210 9 K C 2.236 178.918 176.600 0.137 0.000 1.049 9 K CA 2.034 58.380 56.287 0.098 0.000 0.927 9 K CB -0.185 32.354 32.500 0.065 0.000 0.713 9 K HN 0.680 nan 8.250 nan 0.000 0.443 10 E N 0.438 120.697 120.200 0.099 0.000 2.051 10 E HA -0.137 4.213 4.350 0.000 0.000 0.192 10 E C 2.035 178.694 176.600 0.098 0.000 0.991 10 E CA 1.021 57.472 56.400 0.085 0.000 0.799 10 E CB -0.232 29.504 29.700 0.060 0.000 0.748 10 E HN 0.004 nan 8.360 nan 0.000 0.449 11 V N 0.443 120.422 119.914 0.109 0.000 2.453 11 V HA -0.179 3.941 4.120 0.000 0.000 0.247 11 V C 1.877 178.064 176.094 0.155 0.000 1.048 11 V CA 1.390 63.755 62.300 0.108 0.000 1.049 11 V CB -0.423 31.455 31.823 0.092 0.000 0.672 11 V HN 0.211 nan 8.190 nan 0.000 0.457 12 F N 1.354 121.336 119.950 0.052 0.000 2.216 12 F HA -0.092 4.435 4.527 0.000 0.000 0.300 12 F C 2.241 178.123 175.800 0.136 0.000 1.085 12 F CA 1.032 59.076 58.000 0.074 0.000 1.326 12 F CB -0.345 38.673 39.000 0.030 0.000 1.027 12 F HN 0.087 nan 8.300 nan 0.000 0.497 13 A N -0.251 122.667 122.820 0.163 0.000 1.902 13 A HA -0.238 4.082 4.320 0.000 0.000 0.217 13 A C 2.139 179.728 177.584 0.008 0.000 1.181 13 A CA 1.776 53.861 52.037 0.079 0.000 0.623 13 A CB -0.813 18.240 19.000 0.088 0.000 0.818 13 A HN 0.527 nan 8.150 nan 0.000 0.443 14 Q N -1.880 117.935 119.800 0.024 0.000 2.135 14 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 14 Q C 1.869 177.846 176.000 -0.038 0.000 0.981 14 Q CA 1.642 57.444 55.803 -0.002 0.000 0.856 14 Q CB -0.300 28.448 28.738 0.018 0.000 0.902 14 Q HN 0.760 nan 8.270 nan 0.000 0.425 15 F N 1.272 121.088 119.950 -0.223 0.000 2.069 15 F HA -0.218 4.310 4.527 0.000 0.000 0.298 15 F C 2.209 177.817 175.800 -0.319 0.000 1.113 15 F CA 1.519 59.329 58.000 -0.316 0.000 1.214 15 F CB 0.053 38.757 39.000 -0.493 0.000 0.978 15 F HN -0.116 nan 8.300 nan 0.000 0.474 16 R N 0.206 120.574 120.500 -0.219 0.000 2.096 16 R HA -0.128 4.212 4.340 0.000 0.000 0.235 16 R C 2.414 178.612 176.300 -0.170 0.000 1.127 16 R CA 1.123 57.102 56.100 -0.201 0.000 0.968 16 R CB -0.988 29.251 30.300 -0.102 0.000 0.861 16 R HN 0.422 nan 8.270 nan 0.000 0.440 17 A N 1.626 124.370 122.820 -0.126 0.000 1.940 17 A HA -0.167 4.153 4.320 0.000 0.000 0.219 17 A C 1.302 178.810 177.584 -0.127 0.000 1.176 17 A CA 1.137 53.117 52.037 -0.096 0.000 0.631 17 A CB -0.417 18.544 19.000 -0.064 0.000 0.814 17 A HN 0.197 nan 8.150 nan 0.000 0.446 18 N N 1.411 119.999 118.700 -0.185 0.000 2.868 18 N HA 0.123 4.863 4.740 0.000 0.000 0.252 18 N C -0.838 174.519 175.510 -0.256 0.000 1.130 18 N CA 0.004 52.934 53.050 -0.200 0.000 1.026 18 N CB 0.250 38.614 38.487 -0.206 0.000 1.335 18 N HN 0.426 nan 8.380 nan 0.000 0.516 19 D N 1.301 121.589 120.400 -0.186 0.000 2.738 19 D HA 0.000 4.640 4.640 0.000 0.000 0.246 19 D C 0.214 176.436 176.300 -0.130 0.000 1.270 19 D CA -0.523 53.370 54.000 -0.177 0.000 0.833 19 D CB -0.048 40.675 40.800 -0.129 0.000 1.040 19 D HN 0.278 nan 8.370 nan 0.000 0.487 20 R N 0.838 121.260 120.500 -0.131 0.000 2.623 20 R HA 0.100 4.440 4.340 0.000 0.000 0.271 20 R C -0.060 176.189 176.300 -0.085 0.000 1.043 20 R CA -0.197 55.845 56.100 -0.095 0.000 1.083 20 R CB 0.121 30.366 30.300 -0.092 0.000 0.974 20 R HN 0.226 nan 8.270 nan 0.000 0.436 21 E N 0.850 121.014 120.200 -0.060 0.000 2.414 21 E HA 0.347 4.697 4.350 0.000 0.000 0.263 21 E C -0.272 176.300 176.600 -0.047 0.000 1.000 21 E CA 0.936 57.309 56.400 -0.045 0.000 0.914 21 E CB 0.337 30.018 29.700 -0.031 0.000 0.948 21 E HN 0.870 nan 8.360 nan 0.000 0.444 22 G N 3.636 112.414 108.800 -0.036 0.000 2.317 22 G HA2 -0.007 3.953 3.960 0.000 0.000 0.445 22 G HA3 -0.007 3.953 3.960 0.000 0.000 0.445 22 G C -2.987 171.898 174.900 -0.024 0.000 1.486 22 G CA -1.136 43.944 45.100 -0.034 0.000 0.991 22 G HN 0.459 nan 8.290 nan 0.000 0.660 23 P HA 0.442 nan 4.420 nan 0.000 0.268 23 P C 0.173 177.468 177.300 -0.009 0.000 1.208 23 P CA -0.117 62.997 63.100 0.023 0.000 0.777 23 P CB 0.446 32.151 31.700 0.008 0.000 0.875 24 I N -1.753 118.873 120.570 0.093 0.000 2.509 24 I HA 0.540 4.710 4.170 0.000 0.000 0.293 24 I C -0.241 176.053 176.117 0.294 0.000 1.020 24 I CA -0.760 60.596 61.300 0.093 0.000 1.088 24 I CB 1.908 39.942 38.000 0.057 0.000 1.267 24 I HN 0.340 nan 8.210 nan 0.000 0.430 28 N N 5.998 124.428 118.700 -0.449 0.000 2.424 28 N HA 0.610 5.350 4.740 0.000 0.000 0.271 28 N C -1.332 173.869 175.510 -0.516 0.000 0.985 28 N CA -0.442 52.264 53.050 -0.573 0.000 0.921 28 N CB 2.074 39.865 38.487 -1.160 0.000 1.149 28 N HN 0.536 nan 8.380 nan 0.000 0.492 29 L N 2.698 123.595 121.223 -0.543 0.000 2.294 29 L HA 0.526 4.867 4.340 0.000 0.000 0.283 29 L C -0.475 176.017 176.870 -0.630 0.000 1.015 29 L CA -0.867 53.461 54.840 -0.854 0.000 0.831 29 L CB 1.441 42.478 42.059 -1.703 0.000 1.217 29 L HN 0.052 nan 8.230 nan 0.000 0.420 30 V N 3.490 123.316 119.914 -0.147 0.000 2.487 30 V HA 0.472 4.592 4.120 0.000 0.000 0.298 30 V C -0.138 176.085 176.094 0.214 0.000 1.028 30 V CA -0.654 61.683 62.300 0.061 0.000 0.860 30 V CB 2.103 33.931 31.823 0.007 0.000 0.991 30 V HN 0.711 nan 8.190 nan 0.000 0.427 31 R N 4.643 125.288 120.500 0.242 0.000 2.343 31 R HA 0.669 5.009 4.340 0.000 0.000 0.320 31 R C -1.289 174.966 176.300 -0.075 0.000 0.956 31 R CA -0.588 55.505 56.100 -0.012 0.000 0.836 31 R CB 1.009 31.195 30.300 -0.191 0.000 1.151 31 R HN 0.717 nan 8.270 nan 0.000 0.450 32 L N 4.247 125.395 121.223 -0.125 0.000 2.357 32 L HA 0.479 4.819 4.340 0.000 0.000 0.273 32 L C 0.642 177.481 176.870 -0.052 0.000 1.080 32 L CA -0.844 53.944 54.840 -0.086 0.000 0.803 32 L CB 1.288 43.282 42.059 -0.108 0.000 1.174 32 L HN 0.540 nan 8.230 nan 0.000 0.443 33 R N 2.352 122.837 120.500 -0.026 0.000 2.590 33 R HA 0.078 4.418 4.340 0.000 0.000 0.274 33 R C -1.524 174.776 176.300 0.002 0.000 1.061 33 R CA -1.355 54.736 56.100 -0.015 0.000 1.081 33 R CB 0.427 30.721 30.300 -0.011 0.000 0.984 33 R HN 0.375 nan 8.270 nan 0.000 0.448 34 P HA -0.162 nan 4.420 nan 0.000 0.214 34 P C 0.187 177.503 177.300 0.026 0.000 1.163 34 P CA 1.601 64.710 63.100 0.014 0.000 0.883 34 P CB 0.215 31.920 31.700 0.009 0.000 0.788 35 R N -0.102 120.414 120.500 0.026 0.000 2.338 35 R HA 0.735 5.075 4.340 0.000 0.000 0.317 35 R C 0.098 176.424 176.300 0.044 0.000 0.968 35 R CA -0.417 55.708 56.100 0.042 0.000 0.849 35 R CB -0.142 30.180 30.300 0.037 0.000 1.128 35 R HN 0.258 nan 8.270 nan 0.000 0.448 36 A N 1.329 124.195 122.820 0.076 0.000 2.477 36 A HA 0.544 4.864 4.320 0.000 0.000 0.246 36 A C 0.848 178.460 177.584 0.047 0.000 1.078 36 A CA 0.361 52.431 52.037 0.054 0.000 0.770 36 A CB 0.173 19.266 19.000 0.155 0.000 1.011 36 A HN 1.933 nan 8.150 nan 0.000 0.494 37 A N 3.268 126.050 122.820 -0.063 0.000 3.000 37 A HA 0.559 4.879 4.320 0.000 0.000 0.315 37 A C -0.588 176.937 177.584 -0.097 0.000 1.434 37 A CA -0.377 51.636 52.037 -0.039 0.000 1.108 37 A CB -0.504 18.467 19.000 -0.049 0.000 1.171 37 A HN 0.679 nan 8.150 nan 0.000 0.524 38 Y N 1.202 121.504 120.300 0.002 0.000 2.304 38 Y HA 0.289 4.839 4.550 0.000 0.000 0.327 38 Y C -0.999 174.891 175.900 -0.017 0.000 1.209 38 Y CA -1.413 56.679 58.100 -0.012 0.000 1.299 38 Y CB 0.446 38.903 38.460 -0.005 0.000 1.249 38 Y HN 0.465 nan 8.280 nan 0.000 0.519 39 P HA -0.219 nan 4.420 nan 0.000 0.215 39 P C 0.810 178.149 177.300 0.065 0.000 1.157 39 P CA 1.937 65.077 63.100 0.067 0.000 0.874 39 P CB 0.090 31.816 31.700 0.044 0.000 0.790 40 D N -1.261 119.185 120.400 0.076 0.000 2.371 40 D HA 0.009 4.649 4.640 0.000 0.000 0.234 40 D C 1.409 177.730 176.300 0.034 0.000 1.049 40 D CA 0.786 54.806 54.000 0.032 0.000 0.907 40 D CB -1.155 39.641 40.800 -0.006 0.000 0.891 40 D HN 0.285 nan 8.370 nan 0.000 0.531 41 G N 1.165 110.007 108.800 0.071 0.000 2.196 41 G HA2 -0.397 3.563 3.960 0.000 0.000 0.268 41 G HA3 -0.397 3.563 3.960 0.000 0.000 0.268 41 G C 0.485 175.418 174.900 0.055 0.000 0.975 41 G CA 0.439 45.576 45.100 0.062 0.000 0.648 41 G HN 0.744 nan 8.290 nan 0.000 0.538 42 R N 1.095 121.614 120.500 0.031 0.000 2.698 42 R HA 0.483 4.823 4.340 0.000 0.000 0.266 42 R C -0.085 176.241 176.300 0.044 0.000 1.026 42 R CA 1.037 57.130 56.100 -0.012 0.000 1.102 42 R CB 0.102 30.330 30.300 -0.119 0.000 0.978 42 R HN 0.752 nan 8.270 nan 0.000 0.436 43 E N 2.152 122.369 120.200 0.029 0.000 2.081 43 E HA 0.354 4.704 4.350 0.000 0.000 0.281 43 E C -0.032 176.604 176.600 0.059 0.000 0.986 43 E CA -0.243 56.188 56.400 0.052 0.000 0.796 43 E CB 0.815 30.534 29.700 0.032 0.000 1.085 43 E HN 0.791 nan 8.360 nan 0.000 0.398 44 T N -1.701 112.918 114.554 0.107 0.000 2.816 44 T HA 0.678 5.028 4.350 0.000 0.000 0.299 44 T C 0.418 175.191 174.700 0.121 0.000 1.230 44 T CA 0.041 62.207 62.100 0.110 0.000 1.007 44 T CB 1.180 70.132 68.868 0.139 0.000 1.289 44 T HN 0.830 nan 8.240 nan 0.000 0.508 45 T N -0.779 113.836 114.554 0.102 0.000 2.868 45 T HA 0.488 4.838 4.350 0.000 0.000 0.292 45 T C 1.823 176.591 174.700 0.114 0.000 1.028 45 T CA 0.022 62.176 62.100 0.090 0.000 1.059 45 T CB 0.530 69.440 68.868 0.069 0.000 0.991 45 T HN 1.106 nan 8.240 nan 0.000 0.531 46 G N 0.580 109.433 108.800 0.087 0.000 2.440 46 G HA2 -0.078 3.882 3.960 0.000 0.000 0.218 46 G HA3 -0.078 3.882 3.960 0.000 0.000 0.218 46 G C 1.763 176.753 174.900 0.150 0.000 1.154 46 G CA 0.814 45.971 45.100 0.095 0.000 0.767 46 G HN 1.115 nan 8.290 nan 0.000 0.552 47 A N 0.955 123.851 122.820 0.127 0.000 1.883 47 A HA -0.092 4.228 4.320 0.000 0.000 0.217 47 A C 2.168 179.870 177.584 0.195 0.000 1.186 47 A CA 2.054 54.196 52.037 0.175 0.000 0.624 47 A CB -0.503 18.569 19.000 0.120 0.000 0.822 47 A HN 0.472 nan 8.150 nan 0.000 0.444 48 E N -0.440 119.847 120.200 0.144 0.000 2.085 48 E HA -0.139 4.211 4.350 0.000 0.000 0.194 48 E C 2.312 178.995 176.600 0.139 0.000 0.994 48 E CA 1.073 57.545 56.400 0.120 0.000 0.801 48 E CB -0.292 29.465 29.700 0.096 0.000 0.743 48 E HN 0.634 nan 8.360 nan 0.000 0.453 49 A N 0.461 123.404 122.820 0.205 0.000 1.897 49 A HA -0.180 4.140 4.320 0.000 0.000 0.215 49 A C 1.983 179.701 177.584 0.224 0.000 1.181 49 A CA 1.063 53.253 52.037 0.255 0.000 0.620 49 A CB -0.714 18.458 19.000 0.286 0.000 0.821 49 A HN 0.367 nan 8.150 nan 0.000 0.443 50 Y N 0.546 120.938 120.300 0.154 0.000 2.224 50 Y HA -0.111 4.439 4.550 0.000 0.000 0.289 50 Y C 2.658 178.663 175.900 0.174 0.000 1.146 50 Y CA 1.146 59.375 58.100 0.215 0.000 1.182 50 Y CB -0.250 38.364 38.460 0.256 0.000 0.983 50 Y HN 0.345 nan 8.280 nan 0.000 0.524 51 A N 0.366 123.287 122.820 0.168 0.000 1.865 51 A HA -0.221 4.099 4.320 0.000 0.000 0.217 51 A C 2.422 179.947 177.584 -0.098 0.000 1.191 51 A CA 2.106 54.157 52.037 0.024 0.000 0.623 51 A CB -1.574 17.453 19.000 0.046 0.000 0.826 51 A HN 0.568 nan 8.150 nan 0.000 0.444 52 A N -1.314 121.430 122.820 -0.127 0.000 1.883 52 A HA -0.164 4.156 4.320 0.000 0.000 0.217 52 A C 2.142 179.574 177.584 -0.252 0.000 1.186 52 A CA 1.941 53.795 52.037 -0.304 0.000 0.624 52 A CB -0.985 17.621 19.000 -0.656 0.000 0.822 52 A HN 0.836 nan 8.150 nan 0.000 0.444 53 Y N 0.995 121.133 120.300 -0.270 0.000 2.040 53 Y HA -0.203 4.347 4.550 0.000 0.000 0.275 53 Y C 2.454 178.205 175.900 -0.249 0.000 1.171 53 Y CA 1.653 59.628 58.100 -0.208 0.000 1.123 53 Y CB -1.103 37.179 38.460 -0.297 0.000 0.963 53 Y HN 0.205 nan 8.280 nan 0.000 0.493 54 G N 0.619 109.075 108.800 -0.574 0.000 2.514 54 G HA2 -0.361 3.599 3.960 0.000 0.000 0.217 54 G HA3 -0.361 3.599 3.960 0.000 0.000 0.217 54 G C 1.686 176.379 174.900 -0.346 0.000 1.198 54 G CA 1.561 46.331 45.100 -0.552 0.000 0.780 54 G HN 0.593 nan 8.290 nan 0.000 0.565 55 R N -0.180 120.179 120.500 -0.235 0.000 2.235 55 R HA 0.103 4.443 4.340 0.000 0.000 0.213 55 R C 1.275 177.493 176.300 -0.136 0.000 1.059 55 R CA 1.493 57.496 56.100 -0.163 0.000 0.997 55 R CB -0.147 30.081 30.300 -0.121 0.000 0.884 55 R HN 0.156 nan 8.270 nan 0.000 0.462 56 D N 0.794 121.108 120.400 -0.144 0.000 2.301 56 D HA -0.052 4.588 4.640 0.000 0.000 0.206 56 D C 1.829 178.078 176.300 -0.085 0.000 0.979 56 D CA 1.438 55.389 54.000 -0.081 0.000 0.874 56 D CB 0.336 41.124 40.800 -0.019 0.000 0.968 56 D HN 0.365 nan 8.370 nan 0.000 0.510 57 S N -0.512 115.079 115.700 -0.181 0.000 2.486 57 S HA 0.096 4.566 4.470 0.000 0.000 0.220 57 S C 2.204 176.760 174.600 -0.074 0.000 1.011 57 S CA 0.643 58.776 58.200 -0.112 0.000 0.921 57 S CB -0.301 62.734 63.200 -0.275 0.000 0.785 57 S HN 0.154 nan 8.310 nan 0.000 0.517 58 G N 3.383 112.094 108.800 -0.148 0.000 2.574 58 G HA2 -0.204 3.756 3.960 0.000 0.000 0.220 58 G HA3 -0.204 3.756 3.960 0.000 0.000 0.220 58 G C -0.634 174.234 174.900 -0.053 0.000 1.173 58 G CA 1.352 46.386 45.100 -0.111 0.000 0.772 58 G HN 0.549 nan 8.290 nan 0.000 0.585 59 P HA 0.010 nan 4.420 nan 0.000 0.218 59 P C 2.030 179.332 177.300 0.004 0.000 1.149 59 P CA 0.672 63.761 63.100 -0.018 0.000 0.817 59 P CB -0.042 31.649 31.700 -0.015 0.000 0.785 60 V N -0.535 119.393 119.914 0.024 0.000 2.323 60 V HA -0.186 3.934 4.120 0.000 0.000 0.244 60 V C 2.612 178.729 176.094 0.038 0.000 1.041 60 V CA 2.251 64.576 62.300 0.042 0.000 1.025 60 V CB -1.520 30.355 31.823 0.087 0.000 0.656 60 V HN 0.194 nan 8.190 nan 0.000 0.451 61 S N -0.392 115.337 115.700 0.048 0.000 2.365 61 S HA -0.322 4.148 4.470 0.000 0.000 0.225 61 S C 2.107 176.731 174.600 0.040 0.000 1.039 61 S CA 2.372 60.617 58.200 0.075 0.000 1.033 61 S CB -0.262 62.979 63.200 0.069 0.000 0.887 61 S HN 0.725 nan 8.310 nan 0.000 0.447 62 E N 0.371 120.573 120.200 0.003 0.000 2.077 62 E HA -0.141 4.209 4.350 0.000 0.000 0.193 62 E C 2.395 178.998 176.600 0.006 0.000 0.989 62 E CA 0.861 57.254 56.400 -0.012 0.000 0.800 62 E CB -0.178 29.508 29.700 -0.024 0.000 0.746 62 E HN 0.420 nan 8.360 nan 0.000 0.452 63 R N 0.011 120.519 120.500 0.014 0.000 2.120 63 R HA -0.081 4.259 4.340 0.000 0.000 0.234 63 R C 1.724 178.044 176.300 0.032 0.000 1.123 63 R CA 1.088 57.200 56.100 0.019 0.000 0.975 63 R CB -0.026 30.286 30.300 0.019 0.000 0.866 63 R HN 0.266 nan 8.270 nan 0.000 0.446 64 L N -0.988 120.264 121.223 0.049 0.000 2.628 64 L HA 0.268 4.608 4.340 0.000 0.000 0.229 64 L C 1.015 177.947 176.870 0.104 0.000 1.137 64 L CA 0.422 55.308 54.840 0.076 0.000 0.909 64 L CB 0.957 43.069 42.059 0.088 0.000 1.137 64 L HN 0.501 nan 8.230 nan 0.000 0.470 65 G N -0.523 108.316 108.800 0.066 0.000 2.179 65 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 65 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 65 G C 0.644 175.533 174.900 -0.018 0.000 0.990 65 G CA -0.305 44.823 45.100 0.046 0.000 0.646 65 G HN 0.480 nan 8.290 nan 0.000 0.517 69 V N 0.687 120.617 119.914 0.026 0.000 3.590 69 V HA 0.481 4.601 4.120 0.000 0.000 0.265 69 V C 0.103 176.303 176.094 0.176 0.000 1.239 69 V CA 0.712 63.039 62.300 0.044 0.000 1.117 69 V CB 0.310 32.109 31.823 -0.040 0.000 0.818 69 V HN 0.921 nan 8.190 nan 0.000 0.451 70 W N 0.450 121.748 121.300 -0.004 0.000 3.363 70 W HA 0.656 5.316 4.660 0.000 0.000 0.306 70 W C -1.450 175.125 176.519 0.095 0.000 1.253 70 W CA -0.398 56.965 57.345 0.031 0.000 1.195 70 W CB 1.344 30.814 29.460 0.017 0.000 1.366 70 W HN 0.094 nan 8.180 nan 0.000 0.551 71 Q N 3.481 122.694 119.800 -0.979 0.000 2.320 71 Q HA 0.644 4.984 4.340 0.000 0.000 0.272 71 Q C -1.190 174.113 176.000 -1.161 0.000 1.023 71 Q CA -0.668 54.584 55.803 -0.919 0.000 0.855 71 Q CB 2.230 30.762 28.738 -0.343 0.000 1.367 71 Q HN 0.853 nan 8.270 nan 0.000 0.406 72 G N 1.857 110.104 108.800 -0.922 0.000 2.667 72 G HA2 0.369 4.329 3.960 0.000 0.000 0.298 72 G HA3 0.369 4.329 3.960 0.000 0.000 0.298 72 G C -1.819 173.034 174.900 -0.078 0.000 1.377 72 G CA -0.542 44.306 45.100 -0.419 0.000 0.964 72 G HN 0.528 nan 8.290 nan 0.000 0.493 73 Q N 1.223 121.034 119.800 0.017 0.000 2.279 73 Q HA 0.382 4.722 4.340 0.000 0.000 0.256 73 Q C -0.871 175.237 176.000 0.181 0.000 0.937 73 Q CA -0.777 55.096 55.803 0.116 0.000 0.933 73 Q CB 0.926 29.713 28.738 0.081 0.000 1.189 73 Q HN 0.437 nan 8.270 nan 0.000 0.417 74 F N 4.229 124.250 119.950 0.119 0.000 2.578 74 F HA 0.005 4.532 4.527 0.000 0.000 0.381 74 F C 0.329 176.193 175.800 0.106 0.000 1.069 74 F CA 0.946 59.035 58.000 0.148 0.000 1.231 74 F CB 0.720 39.838 39.000 0.196 0.000 1.086 74 F HN 0.772 nan 8.300 nan 0.000 0.564 75 E N 3.983 123.872 120.200 -0.517 0.000 2.367 75 E HA 0.217 4.567 4.350 0.000 0.000 0.204 75 E C -0.803 175.471 176.600 -0.543 0.000 0.840 75 E CA -0.010 56.178 56.400 -0.353 0.000 1.051 75 E CB 0.795 30.396 29.700 -0.164 0.000 1.051 75 E HN 0.541 nan 8.360 nan 0.000 0.509 79 I N 0.941 121.542 120.570 0.051 0.000 2.447 79 I HA 0.719 4.889 4.170 0.000 0.000 0.287 79 I C 0.181 176.342 176.117 0.073 0.000 1.023 79 I CA -0.118 61.212 61.300 0.052 0.000 1.083 79 I CB 1.457 39.483 38.000 0.042 0.000 1.245 79 I HN 0.307 nan 8.210 nan 0.000 0.434 80 G N 6.528 115.367 108.800 0.066 0.000 2.369 80 G HA2 0.150 4.110 3.960 0.000 0.000 0.307 80 G HA3 0.150 4.110 3.960 0.000 0.000 0.307 80 G C -3.278 171.659 174.900 0.062 0.000 1.327 80 G CA -0.899 44.247 45.100 0.077 0.000 0.963 80 G HN 0.393 nan 8.290 nan 0.000 0.590 81 P HA 0.355 nan 4.420 nan 0.000 0.279 81 P C 0.242 177.562 177.300 0.034 0.000 1.239 81 P CA -0.317 62.804 63.100 0.035 0.000 0.789 81 P CB 1.476 33.189 31.700 0.022 0.000 0.933 82 Q N 1.555 121.373 119.800 0.030 0.000 2.291 82 Q HA -0.131 4.209 4.340 0.000 0.000 0.205 82 Q C 1.072 177.082 176.000 0.017 0.000 0.970 82 Q CA 1.666 57.490 55.803 0.035 0.000 0.876 82 Q CB -0.541 28.214 28.738 0.027 0.000 0.935 82 Q HN 0.696 nan 8.270 nan 0.000 0.455 83 D N -0.445 119.951 120.400 -0.006 0.000 2.310 83 D HA -0.098 4.542 4.640 0.000 0.000 0.212 83 D C 0.030 176.270 176.300 -0.101 0.000 0.965 83 D CA 0.337 54.320 54.000 -0.028 0.000 0.879 83 D CB -0.087 40.692 40.800 -0.035 0.000 0.921 83 D HN 0.121 nan 8.370 nan 0.000 0.510 84 E N 0.316 120.435 120.200 -0.136 0.000 2.180 84 E HA 0.243 4.593 4.350 0.000 0.000 0.283 84 E C -0.592 175.753 176.600 -0.425 0.000 1.061 84 E CA -0.252 55.929 56.400 -0.366 0.000 0.861 84 E CB 0.400 29.974 29.700 -0.210 0.000 1.056 84 E HN 0.559 nan 8.360 nan 0.000 0.407 85 H N 0.772 119.272 119.070 -0.949 0.000 3.016 85 H HA 0.578 5.134 4.556 0.000 0.000 0.362 85 H C -1.684 172.783 175.328 -1.434 0.000 1.233 85 H CA -1.114 54.201 56.048 -1.221 0.000 1.124 85 H CB 0.793 30.090 29.762 -0.775 0.000 1.850 85 H HN 0.341 nan 8.280 nan 0.000 0.549 86 W N 1.479 122.175 121.300 -1.008 0.000 2.915 86 W HA 0.341 5.001 4.660 0.000 0.000 0.337 86 W C -0.270 176.025 176.519 -0.373 0.000 1.102 86 W CA -0.507 56.512 57.345 -0.544 0.000 1.224 86 W CB 2.205 31.496 29.460 -0.282 0.000 1.416 86 W HN 0.655 nan 8.180 nan 0.000 0.503 87 D N -0.051 120.329 120.400 -0.033 0.000 2.277 87 D HA -0.020 4.620 4.640 0.000 0.000 0.209 87 D C 0.120 176.314 176.300 -0.177 0.000 0.970 87 D CA 1.303 55.207 54.000 -0.160 0.000 0.874 87 D CB 0.412 41.000 40.800 -0.354 0.000 0.982 87 D HN 0.234 nan 8.370 nan 0.000 0.504 88 H N -0.386 118.747 119.070 0.105 0.000 2.589 88 H HA 0.493 5.049 4.556 0.000 0.000 0.351 88 H C -0.729 174.711 175.328 0.186 0.000 1.074 88 H CA -0.595 55.547 56.048 0.156 0.000 1.203 88 H CB 2.073 31.920 29.762 0.141 0.000 1.558 88 H HN -0.311 nan 8.280 nan 0.000 0.522 89 V N 5.503 125.629 119.914 0.354 0.000 2.524 89 V HA 0.410 4.530 4.120 0.000 0.000 0.297 89 V C -0.946 175.267 176.094 0.199 0.000 1.035 89 V CA -0.813 61.606 62.300 0.199 0.000 0.867 89 V CB 0.832 32.802 31.823 0.245 0.000 1.004 89 V HN 0.667 nan 8.190 nan 0.000 0.426 90 F N 3.205 123.224 119.950 0.114 0.000 2.741 90 F HA 0.840 5.367 4.527 0.000 0.000 0.313 90 F C -1.428 174.544 175.800 0.287 0.000 1.153 90 F CA -1.447 56.622 58.000 0.116 0.000 0.931 90 F CB 1.539 40.542 39.000 0.006 0.000 1.335 90 F HN 0.231 nan 8.300 nan 0.000 0.460 91 I N 2.049 122.911 120.570 0.487 0.000 2.436 91 I HA 0.697 4.867 4.170 0.000 0.000 0.289 91 I C -0.557 175.719 176.117 0.265 0.000 1.010 91 I CA -1.073 60.384 61.300 0.261 0.000 1.098 91 I CB 1.824 39.919 38.000 0.158 0.000 1.266 91 I HN 0.946 nan 8.210 nan 0.000 0.434 92 A N 5.489 128.463 122.820 0.256 0.000 2.304 92 A HA 0.562 4.882 4.320 0.000 0.000 0.323 92 A C -0.464 177.151 177.584 0.051 0.000 1.195 92 A CA -0.475 51.667 52.037 0.174 0.000 0.826 92 A CB 0.997 20.224 19.000 0.377 0.000 1.184 92 A HN 0.772 nan 8.150 nan 0.000 0.496 93 E N 1.754 121.882 120.200 -0.120 0.000 2.204 93 E HA 0.580 4.931 4.350 0.000 0.000 0.276 93 E C -1.690 174.809 176.600 -0.169 0.000 0.974 93 E CA -0.302 56.123 56.400 0.042 0.000 0.815 93 E CB 0.749 30.494 29.700 0.076 0.000 1.119 93 E HN 0.594 nan 8.360 nan 0.000 0.393 94 Y N 2.893 123.324 120.300 0.218 0.000 2.536 94 Y HA 0.321 4.871 4.550 0.000 0.000 0.347 94 Y C -1.713 174.271 175.900 0.141 0.000 1.000 94 Y CA -2.232 55.981 58.100 0.189 0.000 1.051 94 Y CB 1.923 40.543 38.460 0.267 0.000 1.259 94 Y HN 0.494 nan 8.280 nan 0.000 0.468 95 P HA 0.031 nan 4.420 nan 0.000 0.236 95 P C -0.357 177.015 177.300 0.120 0.000 1.177 95 P CA 0.719 63.906 63.100 0.145 0.000 0.773 95 P CB 0.689 32.453 31.700 0.107 0.000 0.878 96 S N -3.024 112.770 115.700 0.157 0.000 2.587 96 S HA 0.275 4.745 4.470 0.000 0.000 0.269 96 S C 0.629 175.288 174.600 0.100 0.000 1.154 96 S CA -0.708 57.544 58.200 0.086 0.000 0.824 96 S CB 1.035 64.272 63.200 0.063 0.000 1.118 96 S HN -0.249 nan 8.310 nan 0.000 0.462 97 V N 1.425 121.333 119.914 -0.010 0.000 2.343 97 V HA -0.081 4.039 4.120 0.000 0.000 0.247 97 V C 3.017 179.171 176.094 0.099 0.000 1.051 97 V CA 2.549 64.812 62.300 -0.061 0.000 1.036 97 V CB -1.518 30.126 31.823 -0.299 0.000 0.654 97 V HN 1.039 nan 8.190 nan 0.000 0.451 98 A N -0.034 122.825 122.820 0.065 0.000 1.972 98 A HA -0.110 4.210 4.320 0.000 0.000 0.219 98 A C 2.412 180.069 177.584 0.122 0.000 1.169 98 A CA 1.988 54.077 52.037 0.087 0.000 0.635 98 A CB -0.660 18.371 19.000 0.051 0.000 0.810 98 A HN 0.568 nan 8.150 nan 0.000 0.446 99 A N -1.330 121.577 122.820 0.145 0.000 1.902 99 A HA -0.036 4.284 4.320 0.000 0.000 0.217 99 A C 2.043 179.709 177.584 0.137 0.000 1.181 99 A CA 1.516 53.647 52.037 0.158 0.000 0.623 99 A CB -0.657 18.477 19.000 0.224 0.000 0.818 99 A HN 0.652 nan 8.150 nan 0.000 0.443 100 F N 0.343 120.288 119.950 -0.009 0.000 2.186 100 F HA -0.098 4.429 4.527 0.000 0.000 0.299 100 F C 2.180 177.951 175.800 -0.048 0.000 1.090 100 F CA 1.658 59.546 58.000 -0.185 0.000 1.307 100 F CB -0.012 38.865 39.000 -0.204 0.000 1.019 100 F HN 0.027 nan 8.300 nan 0.000 0.489 101 V N -0.014 120.066 119.914 0.276 0.000 2.427 101 V HA -0.184 3.936 4.120 0.000 0.000 0.248 101 V C 1.373 177.494 176.094 0.044 0.000 1.051 101 V CA 1.168 63.617 62.300 0.249 0.000 1.048 101 V CB -0.604 31.398 31.823 0.299 0.000 0.666 101 V HN 0.149 nan 8.190 nan 0.000 0.456 105 R N 1.025 121.475 120.500 -0.084 0.000 2.276 105 R HA 0.055 4.395 4.340 0.000 0.000 0.196 105 R C 0.624 176.936 176.300 0.020 0.000 0.961 105 R CA 0.197 56.292 56.100 -0.009 0.000 1.024 105 R CB 0.101 30.407 30.300 0.010 0.000 0.940 105 R HN 0.207 nan 8.270 nan 0.000 0.480 106 D N 1.756 122.169 120.400 0.022 0.000 2.425 106 D HA -0.010 4.630 4.640 0.000 0.000 0.247 106 D C -1.518 174.834 176.300 0.087 0.000 1.147 106 D CA -1.655 52.376 54.000 0.052 0.000 0.879 106 D CB 1.505 42.336 40.800 0.052 0.000 1.179 106 D HN -0.061 nan 8.370 nan 0.000 0.456 107 P HA -0.141 nan 4.420 nan 0.000 0.216 107 P C 1.671 179.002 177.300 0.052 0.000 1.150 107 P CA 0.544 63.672 63.100 0.047 0.000 0.837 107 P CB 0.301 32.018 31.700 0.029 0.000 0.786 108 V N -1.028 118.923 119.914 0.061 0.000 2.427 108 V HA -0.242 3.878 4.120 0.000 0.000 0.248 108 V C 2.583 178.723 176.094 0.077 0.000 1.051 108 V CA 1.674 64.008 62.300 0.057 0.000 1.048 108 V CB -1.514 30.339 31.823 0.051 0.000 0.666 108 V HN -0.007 nan 8.190 nan 0.000 0.456 109 Y N 1.294 121.597 120.300 0.005 0.000 2.200 109 Y HA -0.192 4.358 4.550 0.000 0.000 0.290 109 Y C 2.695 178.611 175.900 0.027 0.000 1.137 109 Y CA 1.636 59.746 58.100 0.017 0.000 1.163 109 Y CB -0.166 38.285 38.460 -0.015 0.000 0.988 109 Y HN 0.087 nan 8.280 nan 0.000 0.518 110 R N -0.020 120.548 120.500 0.114 0.000 2.159 110 R HA -0.156 4.184 4.340 0.000 0.000 0.237 110 R C 1.979 178.240 176.300 -0.065 0.000 1.131 110 R CA 1.417 57.532 56.100 0.023 0.000 0.982 110 R CB -0.135 30.191 30.300 0.043 0.000 0.868 110 R HN 0.354 nan 8.270 nan 0.000 0.453 111 E N 0.360 120.530 120.200 -0.050 0.000 2.051 111 E HA -0.028 4.322 4.350 0.000 0.000 0.189 111 E C 2.053 178.608 176.600 -0.075 0.000 0.979 111 E CA 1.128 57.493 56.400 -0.059 0.000 0.803 111 E CB -0.255 29.435 29.700 -0.016 0.000 0.761 111 E HN 0.295 nan 8.360 nan 0.000 0.451 112 A N 1.494 124.280 122.820 -0.056 0.000 1.940 112 A HA -0.108 4.212 4.320 0.000 0.000 0.219 112 A C 1.819 179.431 177.584 0.046 0.000 1.176 112 A CA 0.888 52.960 52.037 0.058 0.000 0.631 112 A CB -0.549 18.433 19.000 -0.030 0.000 0.814 112 A HN 0.137 nan 8.150 nan 0.000 0.446 116 R N 1.685 122.028 120.500 -0.261 0.000 2.081 116 R HA -0.083 4.257 4.340 0.000 0.000 0.235 116 R C 1.798 177.979 176.300 -0.197 0.000 1.131 116 R CA 1.796 57.673 56.100 -0.372 0.000 0.960 116 R CB 0.146 29.898 30.300 -0.914 0.000 0.856 116 R HN 0.354 nan 8.270 nan 0.000 0.436 117 Q N -0.730 118.931 119.800 -0.231 0.000 2.135 117 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 117 Q C 1.960 177.839 176.000 -0.203 0.000 0.981 117 Q CA 1.745 57.438 55.803 -0.182 0.000 0.856 117 Q CB -0.053 28.581 28.738 -0.174 0.000 0.902 117 Q HN 0.383 nan 8.270 nan 0.000 0.425 118 A N 0.372 122.998 122.820 -0.323 0.000 2.016 118 A HA 0.066 4.386 4.320 0.000 0.000 0.217 118 A C 2.128 179.561 177.584 -0.252 0.000 1.162 118 A CA 1.220 52.983 52.037 -0.457 0.000 0.662 118 A CB -0.344 17.922 19.000 -1.224 0.000 0.812 118 A HN 0.369 nan 8.150 nan 0.000 0.450 119 A N -0.636 122.111 122.820 -0.122 0.000 1.935 119 A HA 0.346 4.666 4.320 0.000 0.000 0.214 119 A C 0.914 178.508 177.584 0.017 0.000 1.178 119 A CA 0.703 52.752 52.037 0.020 0.000 0.640 119 A CB -0.363 18.759 19.000 0.203 0.000 0.825 119 A HN 0.271 nan 8.150 nan 0.000 0.447 120 V N 0.966 120.884 119.914 0.007 0.000 2.461 120 V HA 0.121 4.241 4.120 0.000 0.000 0.275 120 V C 1.138 177.227 176.094 -0.009 0.000 1.047 120 V CA -0.015 62.293 62.300 0.014 0.000 0.955 120 V CB 1.211 33.060 31.823 0.043 0.000 0.988 120 V HN 0.692 nan 8.190 nan 0.000 0.471 121 E N 2.638 122.830 120.200 -0.013 0.000 2.122 121 E HA -0.001 4.349 4.350 0.000 0.000 0.190 121 E C 0.113 176.712 176.600 -0.002 0.000 0.977 121 E CA 0.629 57.014 56.400 -0.025 0.000 0.820 121 E CB 0.490 30.159 29.700 -0.051 0.000 0.770 121 E HN 0.835 nan 8.360 nan 0.000 0.462 122 D N -0.970 119.459 120.400 0.048 0.000 2.685 122 D HA 0.227 4.867 4.640 0.000 0.000 0.236 122 D C -1.738 174.718 176.300 0.260 0.000 1.233 122 D CA -0.269 53.814 54.000 0.138 0.000 0.760 122 D CB 1.728 42.596 40.800 0.113 0.000 1.410 122 D HN 0.075 nan 8.370 nan 0.000 0.439 123 S N 1.384 117.234 115.700 0.250 0.000 2.587 123 S HA 0.842 5.312 4.470 0.000 0.000 0.269 123 S C -1.421 173.159 174.600 -0.033 0.000 1.154 123 S CA -1.116 57.140 58.200 0.094 0.000 0.824 123 S CB 2.024 65.251 63.200 0.044 0.000 1.118 123 S HN 0.397 nan 8.310 nan 0.000 0.462 124 R N 0.078 120.417 120.500 -0.269 0.000 2.686 124 R HA 0.708 5.048 4.340 0.000 0.000 0.286 124 R C -1.769 174.411 176.300 -0.201 0.000 0.969 124 R CA -0.815 55.148 56.100 -0.228 0.000 0.898 124 R CB 1.500 31.613 30.300 -0.312 0.000 1.183 124 R HN 0.699 nan 8.270 nan 0.000 0.456 125 L N 3.609 124.759 121.223 -0.122 0.000 2.415 125 L HA 0.529 4.869 4.340 0.000 0.000 0.268 125 L C -1.200 175.622 176.870 -0.081 0.000 0.984 125 L CA -0.206 54.579 54.840 -0.092 0.000 0.853 125 L CB 1.050 43.094 42.059 -0.024 0.000 1.215 125 L HN 0.565 nan 8.230 nan 0.000 0.419 126 I N 4.448 124.967 120.570 -0.085 0.000 2.354 126 I HA 0.487 4.657 4.170 0.000 0.000 0.292 126 I C 0.069 176.170 176.117 -0.025 0.000 0.989 126 I CA -0.644 60.621 61.300 -0.058 0.000 1.188 126 I CB 1.530 39.488 38.000 -0.070 0.000 1.342 126 I HN 0.556 nan 8.210 nan 0.000 0.457 127 R N 6.838 127.335 120.500 -0.005 0.000 2.254 127 R HA 0.698 5.038 4.340 0.000 0.000 0.318 127 R C -1.508 174.793 176.300 0.002 0.000 1.031 127 R CA -0.328 55.785 56.100 0.020 0.000 0.905 127 R CB 0.770 31.108 30.300 0.063 0.000 1.050 127 R HN 0.562 nan 8.270 nan 0.000 0.456 131 L N 0.962 122.130 121.223 -0.092 0.000 2.333 131 L HA 0.555 4.895 4.340 0.000 0.000 0.269 131 L C 0.356 177.200 176.870 -0.044 0.000 1.010 131 L CA -1.114 53.689 54.840 -0.062 0.000 0.818 131 L CB 1.665 43.694 42.059 -0.051 0.000 1.306 131 L HN 0.267 nan 8.230 nan 0.000 0.430 132 K N 2.717 123.096 120.400 -0.035 0.000 2.419 132 K HA 0.085 4.405 4.320 0.000 0.000 0.282 132 K C -1.929 174.658 176.600 -0.022 0.000 1.056 132 K CA -1.215 55.058 56.287 -0.023 0.000 1.035 132 K CB 0.264 32.752 32.500 -0.019 0.000 0.921 132 K HN 0.273 nan 8.250 nan 0.000 0.472 133 P HA -0.041 nan 4.420 nan 0.000 0.229 133 P C -0.339 176.951 177.300 -0.017 0.000 1.597 133 P CA 0.172 63.260 63.100 -0.020 0.000 1.030 133 P CB 0.082 31.771 31.700 -0.018 0.000 1.897 134 G N 0.000 108.789 108.800 -0.018 0.000 5.446 134 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 134 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 134 G CA 0.000 45.090 45.100 -0.016 0.000 0.502 134 G HN 0.000 nan 8.290 nan 0.000 0.925