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 2b9p_1_N DATA FIRST_RESID 4 DATA SEQUENCE AEFDADVIVD ARDCIMGRVA SQVAEQALDG ETVAVVNAER AVITGREEQI DATA SEQUENCE VEKYEKRVDI GNDNGYFYPK RPDGIFKRTI RGMLPXKKQR GREAFESVRV DATA SEQUENCE YLGNPYDXXX XXXXXXXXXX XXXXXXXTLG EISETLGA 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.103 177.584 -0.801 0.000 1.274 4 A CA 0.000 51.842 52.037 -0.325 0.000 0.836 4 A CB 0.000 18.910 19.000 -0.150 0.000 0.831 5 E N 0.426 120.523 120.200 -0.173 0.000 3.120 5 E HA 0.136 4.486 4.350 0.000 0.000 0.292 5 E C -0.526 175.602 176.600 -0.788 0.000 0.914 5 E CA 1.275 57.530 56.400 -0.242 0.000 0.988 5 E CB -0.348 29.322 29.700 -0.050 0.000 0.994 5 E HN 0.424 nan 8.360 nan 0.000 0.493 6 F N 1.114 120.917 119.950 -0.245 0.000 3.336 6 F HA 0.302 4.829 4.527 -0.000 0.000 0.214 6 F C 1.565 177.293 175.800 -0.119 0.000 1.614 6 F CA -0.173 57.710 58.000 -0.195 0.000 0.939 6 F CB -0.257 38.574 39.000 -0.281 0.000 1.865 6 F HN 0.510 nan 8.300 nan 0.000 0.306 7 D N 0.745 121.233 120.400 0.147 0.000 2.125 7 D HA 0.346 4.986 4.640 0.000 0.000 0.266 7 D C 0.670 176.994 176.300 0.040 0.000 1.124 7 D CA 1.016 55.052 54.000 0.061 0.000 0.913 7 D CB -0.329 40.490 40.800 0.032 0.000 0.964 7 D HN 0.504 nan 8.370 nan 0.000 0.370 8 A N -0.426 122.411 122.820 0.029 0.000 2.424 8 A HA -0.088 4.232 4.320 0.000 0.000 0.220 8 A C 1.011 178.606 177.584 0.019 0.000 2.882 8 A CA 0.545 52.601 52.037 0.030 0.000 1.589 8 A CB -1.485 17.534 19.000 0.032 0.000 0.160 8 A HN 0.295 nan 8.150 nan 0.000 0.566 9 D N 0.508 120.913 120.400 0.008 0.000 2.088 9 D HA -0.067 4.573 4.640 0.000 0.000 0.196 9 D C 0.689 176.989 176.300 -0.001 0.000 0.983 9 D CA 2.433 56.432 54.000 -0.002 0.000 0.846 9 D CB 0.104 40.895 40.800 -0.015 0.000 0.992 9 D HN 0.471 nan 8.370 nan 0.000 0.448 10 V N 2.461 122.371 119.914 -0.007 0.000 2.218 10 V HA 0.254 4.374 4.120 0.000 0.000 0.261 10 V C 0.379 176.483 176.094 0.016 0.000 1.142 10 V CA -0.273 62.026 62.300 -0.002 0.000 0.965 10 V CB 0.456 32.270 31.823 -0.016 0.000 1.190 10 V HN 0.107 nan 8.190 nan 0.000 0.478 11 I N 4.575 125.161 120.570 0.026 0.000 2.260 11 I HA 0.357 4.527 4.170 0.000 0.000 0.297 11 I C -0.075 176.071 176.117 0.048 0.000 1.143 11 I CA 0.393 61.720 61.300 0.046 0.000 1.271 11 I CB 0.555 38.583 38.000 0.046 0.000 1.461 11 I HN 0.343 nan 8.210 nan 0.000 0.530 12 V N 5.265 125.214 119.914 0.058 0.000 3.076 12 V HA 0.524 4.644 4.120 0.000 0.000 0.311 12 V C -0.915 175.223 176.094 0.073 0.000 1.346 12 V CA -0.437 61.896 62.300 0.055 0.000 1.056 12 V CB 2.616 34.463 31.823 0.040 0.000 1.093 12 V HN 0.792 nan 8.190 nan 0.000 0.468 13 D N -0.457 119.983 120.400 0.068 0.000 4.113 13 D HA 0.843 5.484 4.640 0.000 0.000 0.322 13 D C -0.546 175.805 176.300 0.085 0.000 1.576 13 D CA 0.216 54.263 54.000 0.078 0.000 0.977 13 D CB 1.356 42.197 40.800 0.069 0.000 1.429 13 D HN 1.285 nan 8.370 nan 0.000 0.645 14 A N -1.379 121.492 122.820 0.085 0.000 2.522 14 A HA 0.802 5.122 4.320 0.000 0.000 0.291 14 A C -1.621 176.011 177.584 0.081 0.000 1.039 14 A CA -0.606 51.491 52.037 0.100 0.000 0.643 14 A CB 0.957 20.070 19.000 0.188 0.000 1.310 14 A HN 0.888 nan 8.150 nan 0.000 0.436 15 R N 0.632 121.176 120.500 0.074 0.000 8.289 15 R HA 0.195 4.535 4.340 0.000 0.000 0.251 15 R C -0.711 175.609 176.300 0.033 0.000 0.811 15 R CA -0.020 56.113 56.100 0.056 0.000 2.032 15 R CB -0.759 29.569 30.300 0.046 0.000 1.143 15 R HN 0.956 nan 8.270 nan 0.000 0.986 16 D N -0.674 119.742 120.400 0.026 0.000 4.086 16 D HA -0.238 4.402 4.640 0.000 0.000 0.197 16 D C 0.761 177.059 176.300 -0.002 0.000 1.042 16 D CA 2.328 56.334 54.000 0.010 0.000 2.327 16 D CB -1.252 39.554 40.800 0.010 0.000 1.166 16 D HN 0.788 nan 8.370 nan 0.000 0.431 17 C N 1.697 120.996 119.300 -0.002 0.000 2.831 17 C HA -0.093 4.367 4.460 0.000 0.000 0.379 17 C C 1.475 176.446 174.990 -0.032 0.000 1.138 17 C CA -0.017 58.992 59.018 -0.015 0.000 1.179 17 C CB -1.131 26.601 27.740 -0.014 0.000 1.831 17 C HN 0.541 nan 8.230 nan 0.000 0.434 18 I N 0.542 121.086 120.570 -0.044 0.000 2.330 18 I HA 0.210 4.380 4.170 0.000 0.000 0.286 18 I C 0.476 176.536 176.117 -0.095 0.000 1.025 18 I CA -0.532 60.733 61.300 -0.059 0.000 1.197 18 I CB 0.942 38.914 38.000 -0.047 0.000 1.358 18 I HN 0.699 nan 8.210 nan 0.000 0.467 19 M N 7.543 127.064 119.600 -0.132 0.000 3.584 19 M HA 0.183 4.663 4.480 0.000 0.000 0.190 19 M C 0.254 176.451 176.300 -0.172 0.000 1.679 19 M CA 0.000 55.169 55.300 -0.219 0.000 1.744 19 M CB -1.730 30.695 32.600 -0.292 0.000 1.228 19 M HN 0.677 nan 8.290 nan 0.000 0.532 20 G N 0.636 109.359 108.800 -0.128 0.000 3.255 20 G HA2 0.289 4.249 3.960 0.000 0.000 0.161 20 G HA3 0.289 4.249 3.960 0.000 0.000 0.161 20 G C 0.568 175.422 174.900 -0.077 0.000 1.173 20 G CA -0.606 44.441 45.100 -0.089 0.000 1.106 20 G HN 0.318 nan 8.290 nan 0.000 0.650 21 R N 0.021 120.489 120.500 -0.054 0.000 2.370 21 R HA -0.205 4.135 4.340 0.000 0.000 0.268 21 R C 2.249 178.517 176.300 -0.053 0.000 1.131 21 R CA 1.525 57.598 56.100 -0.045 0.000 0.997 21 R CB -1.647 28.632 30.300 -0.034 0.000 0.888 21 R HN 0.264 nan 8.270 nan 0.000 0.484 22 V N 0.361 120.234 119.914 -0.068 0.000 2.282 22 V HA -0.410 3.710 4.120 0.000 0.000 0.241 22 V C 2.330 178.380 176.094 -0.073 0.000 1.005 22 V CA 2.421 64.675 62.300 -0.076 0.000 1.033 22 V CB -1.307 30.443 31.823 -0.123 0.000 0.677 22 V HN 0.576 nan 8.190 nan 0.000 0.494 23 A N 0.199 122.956 122.820 -0.105 0.000 1.870 23 A HA -0.367 3.953 4.320 0.000 0.000 0.219 23 A C 2.424 179.971 177.584 -0.061 0.000 1.224 23 A CA 4.305 56.294 52.037 -0.081 0.000 0.650 23 A CB -1.460 17.482 19.000 -0.096 0.000 0.836 23 A HN 1.251 nan 8.150 nan 0.000 0.454 24 S N -0.389 115.275 115.700 -0.060 0.000 2.331 24 S HA -0.499 3.971 4.470 0.000 0.000 0.358 24 S C 1.843 176.415 174.600 -0.047 0.000 1.150 24 S CA 2.657 60.828 58.200 -0.048 0.000 1.766 24 S CB -1.319 61.857 63.200 -0.041 0.000 1.490 24 S HN 0.741 nan 8.310 nan 0.000 0.490 25 Q N 0.946 120.721 119.800 -0.041 0.000 2.016 25 Q HA 0.010 4.350 4.340 0.000 0.000 0.200 25 Q C 2.492 178.468 176.000 -0.041 0.000 0.978 25 Q CA 1.412 57.193 55.803 -0.037 0.000 0.833 25 Q CB -0.747 27.974 28.738 -0.028 0.000 0.895 25 Q HN 0.554 nan 8.270 nan 0.000 0.427 26 V N 1.765 121.657 119.914 -0.037 0.000 2.308 26 V HA -0.442 3.678 4.120 0.000 0.000 0.252 26 V C 2.274 178.335 176.094 -0.054 0.000 1.066 26 V CA 2.407 64.685 62.300 -0.037 0.000 1.104 26 V CB -1.561 30.242 31.823 -0.034 0.000 0.786 26 V HN 0.564 nan 8.190 nan 0.000 0.473 27 A N -0.963 121.815 122.820 -0.071 0.000 1.827 27 A HA -0.257 4.063 4.320 0.000 0.000 0.215 27 A C 1.958 179.496 177.584 -0.075 0.000 1.212 27 A CA 2.125 54.104 52.037 -0.096 0.000 0.624 27 A CB -0.812 18.119 19.000 -0.116 0.000 0.853 27 A HN 0.653 nan 8.150 nan 0.000 0.450 28 E N -0.513 119.650 120.200 -0.062 0.000 2.689 28 E HA -0.335 4.015 4.350 0.000 0.000 0.247 28 E C 1.779 178.351 176.600 -0.046 0.000 1.031 28 E CA 2.262 58.633 56.400 -0.048 0.000 1.400 28 E CB -0.850 28.828 29.700 -0.037 0.000 1.296 28 E HN 0.762 nan 8.360 nan 0.000 0.475 29 Q N -0.781 118.992 119.800 -0.044 0.000 2.389 29 Q HA 0.201 4.541 4.340 0.000 0.000 0.204 29 Q C 2.108 178.075 176.000 -0.055 0.000 0.944 29 Q CA 0.846 56.624 55.803 -0.041 0.000 0.908 29 Q CB 0.005 28.724 28.738 -0.032 0.000 1.002 29 Q HN 0.362 nan 8.270 nan 0.000 0.493 30 A N 1.087 123.865 122.820 -0.071 0.000 1.908 30 A HA -0.132 4.188 4.320 0.000 0.000 0.218 30 A C 1.851 179.371 177.584 -0.106 0.000 1.181 30 A CA 0.950 52.926 52.037 -0.101 0.000 0.627 30 A CB -0.446 18.474 19.000 -0.133 0.000 0.818 30 A HN 0.237 nan 8.150 nan 0.000 0.445 31 L N -1.713 119.455 121.223 -0.091 0.000 2.563 31 L HA 0.024 4.364 4.340 0.000 0.000 0.150 31 L C 1.600 178.440 176.870 -0.051 0.000 1.484 31 L CA 0.740 55.536 54.840 -0.074 0.000 3.029 31 L CB -0.497 41.525 42.059 -0.063 0.000 2.995 31 L HN 0.382 nan 8.230 nan 0.000 0.944 32 D N 0.045 120.422 120.400 -0.038 0.000 4.303 32 D HA -0.283 4.357 4.640 0.000 0.000 0.313 32 D C 0.661 176.945 176.300 -0.026 0.000 1.204 32 D CA 2.268 56.251 54.000 -0.028 0.000 1.762 32 D CB -0.946 39.838 40.800 -0.026 0.000 0.999 32 D HN 0.825 nan 8.370 nan 0.000 0.657 33 G N 0.169 108.951 108.800 -0.031 0.000 2.556 33 G HA2 0.214 4.174 3.960 0.000 0.000 0.231 33 G HA3 0.214 4.174 3.960 0.000 0.000 0.231 33 G C -0.734 174.149 174.900 -0.029 0.000 1.687 33 G CA -0.141 44.942 45.100 -0.028 0.000 0.917 33 G HN 0.279 nan 8.290 nan 0.000 0.492 34 E N 0.272 120.449 120.200 -0.037 0.000 2.369 34 E HA 0.667 5.017 4.350 0.000 0.000 0.270 34 E C -0.283 176.289 176.600 -0.047 0.000 0.909 34 E CA -0.877 55.501 56.400 -0.036 0.000 0.775 34 E CB 2.279 31.961 29.700 -0.031 0.000 1.270 34 E HN 0.319 nan 8.360 nan 0.000 0.445 35 T N -1.616 112.910 114.554 -0.047 0.000 2.767 35 T HA 0.448 4.798 4.350 0.000 0.000 0.284 35 T C -0.428 174.240 174.700 -0.053 0.000 0.973 35 T CA -0.640 61.423 62.100 -0.062 0.000 0.996 35 T CB 0.727 69.547 68.868 -0.080 0.000 0.927 35 T HN 0.095 nan 8.240 nan 0.000 0.456 36 V N 3.515 123.396 119.914 -0.055 0.000 2.284 36 V HA 0.649 4.769 4.120 0.000 0.000 0.274 36 V C 0.341 176.414 176.094 -0.035 0.000 1.023 36 V CA -0.836 61.443 62.300 -0.035 0.000 0.808 36 V CB 0.527 32.333 31.823 -0.029 0.000 1.035 36 V HN 1.212 nan 8.190 nan 0.000 0.445 37 A N 5.313 128.125 122.820 -0.014 0.000 2.253 37 A HA 0.806 5.126 4.320 0.000 0.000 0.316 37 A C -0.017 177.628 177.584 0.101 0.000 1.327 37 A CA -0.208 51.849 52.037 0.034 0.000 0.917 37 A CB 1.012 20.033 19.000 0.035 0.000 1.162 37 A HN 0.555 nan 8.150 nan 0.000 0.535 38 V N 2.416 122.386 119.914 0.092 0.000 6.580 38 V HA 0.750 4.870 4.120 0.000 0.000 0.148 38 V C 0.388 176.575 176.094 0.155 0.000 1.377 38 V CA 0.541 62.912 62.300 0.119 0.000 1.053 38 V CB 0.430 32.299 31.823 0.076 0.000 2.181 38 V HN 1.821 nan 8.190 nan 0.000 0.312 39 V N -2.891 117.073 119.914 0.084 0.000 2.344 39 V HA 0.306 4.426 4.120 0.000 0.000 0.322 39 V C -0.656 175.469 176.094 0.052 0.000 1.826 39 V CA -0.000 62.337 62.300 0.062 0.000 0.812 39 V CB 0.360 32.286 31.823 0.173 0.000 1.196 39 V HN 0.796 nan 8.190 nan 0.000 0.252 40 N N -1.527 117.184 118.700 0.018 0.000 2.479 40 N HA 0.086 4.826 4.740 0.000 0.000 0.141 40 N C 1.053 176.564 175.510 0.001 0.000 1.660 40 N CA 1.846 54.915 53.050 0.032 0.000 3.273 40 N CB -1.208 37.324 38.487 0.075 0.000 1.500 40 N HN 2.682 nan 8.380 nan 0.000 1.126 41 A N 1.540 124.297 122.820 -0.105 0.000 5.222 41 A HA -0.447 3.873 4.320 0.000 0.000 0.373 41 A C 1.660 179.260 177.584 0.027 0.000 1.531 41 A CA 3.878 55.798 52.037 -0.195 0.000 0.751 41 A CB -1.865 16.985 19.000 -0.249 0.000 1.543 41 A HN 0.644 nan 8.150 nan 0.000 0.434 42 E N 0.363 120.566 120.200 0.004 0.000 2.351 42 E HA -0.440 3.910 4.350 0.000 0.000 0.249 42 E C 1.841 178.476 176.600 0.058 0.000 1.062 42 E CA 2.482 58.902 56.400 0.034 0.000 1.066 42 E CB -1.070 28.640 29.700 0.017 0.000 0.955 42 E HN 0.837 nan 8.360 nan 0.000 0.504 43 R N 2.313 122.843 120.500 0.050 0.000 2.162 43 R HA -0.212 4.128 4.340 0.000 0.000 0.245 43 R C 1.605 177.946 176.300 0.069 0.000 1.129 43 R CA 2.271 58.402 56.100 0.052 0.000 0.940 43 R CB -0.906 29.423 30.300 0.048 0.000 0.875 43 R HN 0.453 nan 8.270 nan 0.000 0.437 44 A N -0.830 122.061 122.820 0.119 0.000 2.885 44 A HA -0.107 4.213 4.320 0.000 0.000 1.024 44 A C 0.069 177.685 177.584 0.052 0.000 2.029 44 A CA 1.129 53.247 52.037 0.136 0.000 3.171 44 A CB -0.312 18.874 19.000 0.311 0.000 1.635 44 A HN 0.331 nan 8.150 nan 0.000 0.942 45 V N -1.343 118.573 119.914 0.003 0.000 3.225 45 V HA 0.705 4.825 4.120 0.000 0.000 0.293 45 V C -0.570 175.482 176.094 -0.069 0.000 1.405 45 V CA 0.151 62.435 62.300 -0.025 0.000 1.038 45 V CB 1.850 33.660 31.823 -0.022 0.000 1.123 45 V HN 1.197 nan 8.190 nan 0.000 0.447 46 I N -0.048 120.484 120.570 -0.064 0.000 2.558 46 I HA 0.281 4.451 4.170 0.000 0.000 0.301 46 I C -0.094 175.986 176.117 -0.061 0.000 1.879 46 I CA -0.523 60.727 61.300 -0.084 0.000 0.959 46 I CB 1.912 39.827 38.000 -0.141 0.000 1.541 46 I HN 0.895 nan 8.210 nan 0.000 0.576 47 T N 1.349 115.872 114.554 -0.051 0.000 2.348 47 T HA -0.124 4.226 4.350 0.000 0.000 0.204 47 T C 1.059 175.744 174.700 -0.025 0.000 0.998 47 T CA 0.738 62.819 62.100 -0.032 0.000 1.318 47 T CB -0.173 68.681 68.868 -0.023 0.000 0.994 47 T HN 1.213 nan 8.240 nan 0.000 0.400 48 G N 2.994 111.784 108.800 -0.016 0.000 2.474 48 G HA2 -0.041 3.919 3.960 0.000 0.000 0.157 48 G HA3 -0.041 3.919 3.960 0.000 0.000 0.157 48 G C 0.700 175.596 174.900 -0.008 0.000 1.720 48 G CA 0.098 45.191 45.100 -0.011 0.000 0.931 48 G HN 1.164 nan 8.290 nan 0.000 0.376 49 R N 0.963 121.461 120.500 -0.003 0.000 2.719 49 R HA -0.234 4.106 4.340 0.000 0.000 0.213 49 R C 1.380 177.681 176.300 0.001 0.000 0.770 49 R CA 0.923 57.023 56.100 0.000 0.000 0.522 49 R CB -1.501 28.800 30.300 0.003 0.000 1.198 49 R HN 0.774 nan 8.270 nan 0.000 0.516 50 E N 1.416 121.616 120.200 -0.001 0.000 2.223 50 E HA -0.339 4.011 4.350 0.000 0.000 0.249 50 E C 1.096 177.700 176.600 0.007 0.000 1.008 50 E CA 2.183 58.583 56.400 -0.000 0.000 0.975 50 E CB -0.250 29.451 29.700 0.002 0.000 0.901 50 E HN 0.576 nan 8.360 nan 0.000 0.537 51 E N 0.710 120.915 120.200 0.009 0.000 2.879 51 E HA -0.380 3.970 4.350 0.000 0.000 0.329 51 E C 1.704 178.315 176.600 0.018 0.000 1.106 51 E CA 1.994 58.401 56.400 0.012 0.000 1.303 51 E CB -0.524 29.182 29.700 0.010 0.000 1.056 51 E HN 0.347 nan 8.360 nan 0.000 0.471 52 Q N -0.371 119.439 119.800 0.017 0.000 2.498 52 Q HA -0.266 4.074 4.340 0.000 0.000 0.219 52 Q C 2.054 178.072 176.000 0.031 0.000 0.997 52 Q CA 1.322 57.138 55.803 0.022 0.000 0.934 52 Q CB -0.461 28.288 28.738 0.018 0.000 0.924 52 Q HN 0.384 nan 8.270 nan 0.000 0.465 53 I N -0.446 120.137 120.570 0.022 0.000 2.163 53 I HA -0.203 3.967 4.170 0.000 0.000 0.240 53 I C 1.749 177.883 176.117 0.030 0.000 1.081 53 I CA 1.165 62.474 61.300 0.015 0.000 1.353 53 I CB 0.022 38.020 38.000 -0.002 0.000 1.054 53 I HN -0.022 nan 8.210 nan 0.000 0.407 54 V N 0.589 120.523 119.914 0.034 0.000 3.380 54 V HA -0.088 4.032 4.120 0.000 0.000 0.268 54 V C 1.985 178.126 176.094 0.078 0.000 1.168 54 V CA 0.911 63.243 62.300 0.053 0.000 1.156 54 V CB -1.252 30.595 31.823 0.040 0.000 0.785 54 V HN 0.437 nan 8.190 nan 0.000 0.487 55 E N 0.511 120.752 120.200 0.067 0.000 2.004 55 E HA -0.129 4.221 4.350 0.000 0.000 0.192 55 E C 2.084 178.737 176.600 0.088 0.000 0.987 55 E CA 0.868 57.304 56.400 0.060 0.000 0.822 55 E CB -0.271 29.453 29.700 0.039 0.000 0.779 55 E HN 0.319 nan 8.360 nan 0.000 0.458 56 K N 0.751 121.217 120.400 0.110 0.000 2.081 56 K HA -0.249 4.071 4.320 0.000 0.000 0.222 56 K C 2.067 178.771 176.600 0.174 0.000 1.055 56 K CA 1.827 58.201 56.287 0.145 0.000 0.954 56 K CB -1.205 31.424 32.500 0.216 0.000 0.732 56 K HN 0.267 nan 8.250 nan 0.000 0.458 57 Y N 1.462 121.788 120.300 0.043 0.000 2.516 57 Y HA -0.002 4.548 4.550 0.000 0.000 0.291 57 Y C 2.165 178.104 175.900 0.065 0.000 1.131 57 Y CA 0.544 58.689 58.100 0.075 0.000 1.281 57 Y CB 0.008 38.519 38.460 0.085 0.000 1.013 57 Y HN 0.244 nan 8.280 nan 0.000 0.554 58 E N -0.046 120.243 120.200 0.149 0.000 2.338 58 E HA -0.155 4.195 4.350 0.000 0.000 0.197 58 E C 1.726 178.304 176.600 -0.037 0.000 1.007 58 E CA 0.514 56.949 56.400 0.058 0.000 0.849 58 E CB 0.001 29.726 29.700 0.042 0.000 0.774 58 E HN 0.464 nan 8.360 nan 0.000 0.506 59 K N 0.404 120.780 120.400 -0.039 0.000 2.283 59 K HA -0.043 4.277 4.320 0.000 0.000 0.202 59 K C 1.821 178.265 176.600 -0.261 0.000 1.048 59 K CA 0.503 56.710 56.287 -0.133 0.000 0.948 59 K CB 0.192 32.648 32.500 -0.073 0.000 0.742 59 K HN -0.057 nan 8.250 nan 0.000 0.458 60 R N 0.381 120.814 120.500 -0.112 0.000 2.210 60 R HA 0.051 4.391 4.340 0.000 0.000 0.203 60 R C 2.148 178.429 176.300 -0.032 0.000 1.010 60 R CA 0.235 56.444 56.100 0.182 0.000 1.008 60 R CB -0.796 29.662 30.300 0.263 0.000 0.923 60 R HN -0.028 nan 8.270 nan 0.000 0.469 61 V N 2.646 122.531 119.914 -0.048 0.000 2.244 61 V HA -0.250 3.870 4.120 0.000 0.000 0.235 61 V C 1.329 177.355 176.094 -0.113 0.000 1.026 61 V CA 2.410 64.706 62.300 -0.007 0.000 0.990 61 V CB -0.352 31.476 31.823 0.009 0.000 0.640 61 V HN 0.312 nan 8.190 nan 0.000 0.463 62 D N 0.164 120.464 120.400 -0.165 0.000 2.328 62 D HA 0.088 4.728 4.640 0.000 0.000 0.226 62 D C 0.844 176.979 176.300 -0.274 0.000 1.066 62 D CA 0.077 53.985 54.000 -0.153 0.000 0.861 62 D CB -0.459 40.288 40.800 -0.089 0.000 0.912 62 D HN 0.445 nan 8.370 nan 0.000 0.521 63 I N 2.078 122.295 120.570 -0.588 0.000 3.322 63 I HA -0.001 4.169 4.170 0.000 0.000 0.324 63 I C 0.855 176.735 176.117 -0.394 0.000 1.144 63 I CA 0.263 61.111 61.300 -0.753 0.000 2.494 63 I CB -0.828 36.180 38.000 -1.653 0.000 1.733 63 I HN -0.116 nan 8.210 nan 0.000 1.185 64 G N 4.053 112.767 108.800 -0.144 0.000 2.384 64 G HA2 0.353 4.313 3.960 0.000 0.000 0.316 64 G HA3 0.353 4.313 3.960 0.000 0.000 0.316 64 G C -0.327 174.625 174.900 0.086 0.000 1.160 64 G CA -0.536 44.591 45.100 0.045 0.000 0.936 64 G HN 0.355 nan 8.290 nan 0.000 0.455 65 N N 2.663 121.553 118.700 0.317 0.000 2.469 65 N HA 0.198 4.938 4.740 0.000 0.000 0.253 65 N C 0.547 176.149 175.510 0.154 0.000 0.970 65 N CA -0.622 52.634 53.050 0.343 0.000 0.940 65 N CB 1.901 40.919 38.487 0.885 0.000 1.128 65 N HN 0.449 nan 8.380 nan 0.000 0.503 66 D N 1.233 121.672 120.400 0.066 0.000 3.146 66 D HA -0.312 4.328 4.640 0.000 0.000 0.362 66 D C 1.202 177.485 176.300 -0.029 0.000 1.082 66 D CA 1.494 55.501 54.000 0.012 0.000 1.135 66 D CB -0.213 40.593 40.800 0.011 0.000 1.068 66 D HN 0.490 nan 8.370 nan 0.000 0.500 67 N N 1.124 119.805 118.700 -0.031 0.000 2.562 67 N HA -0.167 4.573 4.740 0.000 0.000 0.201 67 N C 0.973 176.344 175.510 -0.232 0.000 1.043 67 N CA 1.669 54.654 53.050 -0.109 0.000 0.929 67 N CB -0.322 38.105 38.487 -0.101 0.000 0.945 67 N HN 0.476 nan 8.380 nan 0.000 0.454 68 G N -1.174 107.523 108.800 -0.171 0.000 2.451 68 G HA2 -0.189 3.771 3.960 0.000 0.000 0.208 68 G HA3 -0.189 3.771 3.960 0.000 0.000 0.208 68 G C -0.964 173.819 174.900 -0.195 0.000 1.248 68 G CA -0.209 44.722 45.100 -0.282 0.000 0.989 68 G HN 0.293 nan 8.290 nan 0.000 0.559 69 Y N -1.260 118.781 120.300 -0.432 0.000 3.109 69 Y HA -0.023 4.527 4.550 0.000 0.000 0.211 69 Y C 1.443 177.398 175.900 0.091 0.000 2.479 69 Y CA 0.051 58.070 58.100 -0.135 0.000 1.431 69 Y CB -1.569 36.978 38.460 0.146 0.000 1.929 69 Y HN 0.706 nan 8.280 nan 0.000 0.346 70 F N -0.416 119.698 119.950 0.273 0.000 2.014 70 F HA -0.159 4.368 4.527 0.000 0.000 0.299 70 F C 0.871 176.923 175.800 0.419 0.000 1.224 70 F CA 1.948 60.087 58.000 0.231 0.000 1.200 70 F CB -0.697 38.361 39.000 0.096 0.000 0.948 70 F HN 0.244 nan 8.300 nan 0.000 0.520 71 Y N -1.080 119.444 120.300 0.373 0.000 2.922 71 Y HA -0.066 4.484 4.550 0.000 0.000 0.047 71 Y C -2.310 173.686 175.900 0.159 0.000 2.282 71 Y CA -1.642 56.579 58.100 0.202 0.000 1.121 71 Y CB -2.586 35.951 38.460 0.128 0.000 1.822 71 Y HN 0.015 nan 8.280 nan 0.000 0.293 72 P HA -0.059 nan 4.420 nan 0.000 0.275 72 P C 0.098 177.495 177.300 0.162 0.000 1.227 72 P CA 0.553 63.737 63.100 0.140 0.000 0.808 72 P CB 0.502 32.261 31.700 0.099 0.000 0.858 73 K N 0.925 121.397 120.400 0.119 0.000 3.209 73 K HA 0.326 4.646 4.320 0.000 0.000 0.202 73 K C -0.463 176.185 176.600 0.080 0.000 1.109 73 K CA -0.286 56.068 56.287 0.110 0.000 0.968 73 K CB 0.757 33.317 32.500 0.101 0.000 0.732 73 K HN 0.248 nan 8.250 nan 0.000 0.450 74 R N -0.424 120.120 120.500 0.074 0.000 2.594 74 R HA 0.224 4.564 4.340 0.000 0.000 0.265 74 R C -2.366 173.945 176.300 0.018 0.000 1.070 74 R CA -1.945 54.179 56.100 0.039 0.000 0.909 74 R CB 0.801 31.113 30.300 0.020 0.000 1.243 74 R HN -0.156 nan 8.270 nan 0.000 0.455 75 P HA -0.320 nan 4.420 nan 0.000 0.214 75 P C 0.059 177.239 177.300 -0.201 0.000 1.099 75 P CA 2.115 65.158 63.100 -0.096 0.000 0.976 75 P CB 0.150 31.723 31.700 -0.212 0.000 0.774 76 D N -1.136 119.087 120.400 -0.294 0.000 4.735 76 D HA -0.313 4.327 4.640 0.000 0.000 0.484 76 D C 1.929 178.166 176.300 -0.106 0.000 1.489 76 D CA 2.353 56.216 54.000 -0.228 0.000 1.338 76 D CB -1.825 38.924 40.800 -0.084 0.000 0.466 76 D HN 0.398 nan 8.370 nan 0.000 0.814 77 G N 0.222 109.031 108.800 0.016 0.000 2.866 77 G HA2 -0.142 3.818 3.960 0.000 0.000 0.207 77 G HA3 -0.142 3.818 3.960 0.000 0.000 0.207 77 G C 1.527 176.586 174.900 0.265 0.000 1.402 77 G CA 1.080 46.249 45.100 0.116 0.000 0.830 77 G HN 0.442 nan 8.290 nan 0.000 0.644 78 I N -0.125 120.654 120.570 0.349 0.000 3.402 78 I HA -0.414 3.756 4.170 0.000 0.000 0.191 78 I C 2.553 178.974 176.117 0.507 0.000 0.748 78 I CA 2.500 64.104 61.300 0.507 0.000 1.121 78 I CB -0.553 37.751 38.000 0.506 0.000 0.903 78 I HN 0.210 nan 8.210 nan 0.000 0.319 79 F N 0.514 120.504 119.950 0.067 0.000 2.186 79 F HA -0.125 4.402 4.527 0.000 0.000 0.299 79 F C 2.326 178.148 175.800 0.037 0.000 1.090 79 F CA 0.965 58.985 58.000 0.033 0.000 1.307 79 F CB -1.014 37.978 39.000 -0.013 0.000 1.019 79 F HN 0.028 nan 8.300 nan 0.000 0.489 80 K N 0.990 121.543 120.400 0.254 0.000 1.975 80 K HA -0.210 4.110 4.320 0.000 0.000 0.230 80 K C 1.906 178.595 176.600 0.148 0.000 1.044 80 K CA 1.266 57.643 56.287 0.151 0.000 1.022 80 K CB -0.977 31.585 32.500 0.103 0.000 0.739 80 K HN 0.109 nan 8.250 nan 0.000 0.446 81 R N 0.376 120.959 120.500 0.139 0.000 2.087 81 R HA -0.216 4.124 4.340 0.000 0.000 0.122 81 R C 2.108 178.478 176.300 0.116 0.000 0.504 81 R CA 1.720 57.883 56.100 0.106 0.000 1.601 81 R CB -2.007 28.345 30.300 0.088 0.000 0.464 81 R HN 0.819 nan 8.270 nan 0.000 0.674 82 T N 0.551 115.182 114.554 0.128 0.000 1.646 82 T HA -0.389 3.961 4.350 0.000 0.000 0.088 82 T C 1.810 176.540 174.700 0.050 0.000 1.829 82 T CA 3.372 65.527 62.100 0.092 0.000 0.750 82 T CB -1.684 67.220 68.868 0.060 0.000 0.768 82 T HN 0.680 nan 8.240 nan 0.000 0.392 83 I N 1.674 122.257 120.570 0.022 0.000 4.181 83 I HA -0.479 3.691 4.170 0.000 0.000 0.124 83 I C 2.611 178.727 176.117 -0.001 0.000 0.717 83 I CA 2.987 64.284 61.300 -0.006 0.000 0.854 83 I CB -0.891 37.114 38.000 0.008 0.000 0.676 83 I HN 0.706 nan 8.210 nan 0.000 0.262 84 R N 1.288 121.812 120.500 0.040 0.000 2.292 84 R HA -0.262 4.078 4.340 0.000 0.000 0.268 84 R C 2.324 178.710 176.300 0.144 0.000 1.150 84 R CA 2.128 58.315 56.100 0.146 0.000 0.993 84 R CB -1.846 28.649 30.300 0.324 0.000 0.901 84 R HN 0.869 nan 8.270 nan 0.000 0.470 85 G N 1.515 110.370 108.800 0.092 0.000 2.476 85 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 85 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 85 G C 1.454 176.379 174.900 0.042 0.000 1.164 85 G CA 1.133 46.275 45.100 0.069 0.000 0.768 85 G HN 0.116 nan 8.290 nan 0.000 0.560 86 M N -0.071 119.531 119.600 0.003 0.000 2.144 86 M HA 0.008 4.488 4.480 0.000 0.000 0.260 86 M C 1.419 177.702 176.300 -0.029 0.000 1.067 86 M CA 0.774 56.060 55.300 -0.023 0.000 1.095 86 M CB -1.389 31.180 32.600 -0.052 0.000 1.365 86 M HN 0.056 nan 8.290 nan 0.000 0.406 87 L N -0.508 120.684 121.223 -0.053 0.000 2.777 87 L HA 0.278 4.618 4.340 0.000 0.000 0.195 87 L C -1.556 175.365 176.870 0.085 0.000 1.190 87 L CA -1.225 53.583 54.840 -0.054 0.000 0.933 87 L CB -1.615 40.261 42.059 -0.305 0.000 1.758 87 L HN 0.057 nan 8.230 nan 0.000 0.515 91 K N 1.707 122.138 120.400 0.052 0.000 2.172 91 K HA 0.138 4.458 4.320 0.000 0.000 0.276 91 K C 0.810 177.445 176.600 0.060 0.000 1.013 91 K CA -0.255 56.054 56.287 0.036 0.000 0.913 91 K CB 1.718 34.236 32.500 0.029 0.000 1.055 91 K HN 0.188 nan 8.250 nan 0.000 0.461 92 Q N 2.225 122.048 119.800 0.039 0.000 2.689 92 Q HA -0.466 3.874 4.340 0.000 0.000 0.471 92 Q C 1.399 177.459 176.000 0.101 0.000 0.490 92 Q CA 2.710 58.543 55.803 0.050 0.000 1.012 92 Q CB -0.313 28.445 28.738 0.033 0.000 1.862 92 Q HN 0.689 nan 8.270 nan 0.000 1.107 93 R N -0.428 120.120 120.500 0.080 0.000 2.248 93 R HA -0.304 4.036 4.340 0.000 0.000 0.236 93 R C 2.127 178.516 176.300 0.148 0.000 1.111 93 R CA 2.094 58.242 56.100 0.080 0.000 0.894 93 R CB -1.339 28.985 30.300 0.040 0.000 0.905 93 R HN 0.724 nan 8.270 nan 0.000 0.426 94 G N 0.740 109.647 108.800 0.179 0.000 2.875 94 G HA2 -0.395 3.565 3.960 0.000 0.000 0.227 94 G HA3 -0.395 3.565 3.960 0.000 0.000 0.227 94 G C 1.018 176.649 174.900 1.218 0.000 1.259 94 G CA 1.649 46.948 45.100 0.331 0.000 0.780 94 G HN 0.391 nan 8.290 nan 0.000 0.685 95 R N 0.036 121.305 120.500 1.283 0.000 2.597 95 R HA -0.259 4.082 4.340 0.000 0.000 0.191 95 R C 2.415 179.194 176.300 0.799 0.000 0.925 95 R CA 2.229 58.435 56.100 0.178 0.000 0.704 95 R CB -1.158 29.101 30.300 -0.068 0.000 0.764 95 R HN 0.665 nan 8.270 nan 0.000 0.414 96 E N -0.123 120.251 120.200 0.290 0.000 2.257 96 E HA -0.342 4.008 4.350 0.000 0.000 0.229 96 E C 1.842 178.569 176.600 0.212 0.000 1.089 96 E CA 1.849 58.362 56.400 0.188 0.000 0.947 96 E CB -0.442 29.316 29.700 0.096 0.000 0.808 96 E HN 0.606 nan 8.360 nan 0.000 0.471 97 A N 0.162 123.080 122.820 0.164 0.000 2.204 97 A HA -0.179 4.141 4.320 0.000 0.000 0.220 97 A C 1.565 179.009 177.584 -0.233 0.000 1.165 97 A CA 1.397 53.360 52.037 -0.122 0.000 0.671 97 A CB -0.616 18.192 19.000 -0.320 0.000 0.792 97 A HN 0.254 nan 8.150 nan 0.000 0.473 98 F N -0.883 119.052 119.950 -0.025 0.000 2.678 98 F HA 0.176 4.703 4.527 0.000 0.000 0.291 98 F C 2.061 177.841 175.800 -0.035 0.000 1.123 98 F CA 0.492 58.477 58.000 -0.026 0.000 1.395 98 F CB -0.286 38.701 39.000 -0.022 0.000 1.121 98 F HN 0.255 nan 8.300 nan 0.000 0.592 99 E N -0.204 120.105 120.200 0.182 0.000 2.170 99 E HA -0.056 4.294 4.350 0.000 0.000 0.191 99 E C 2.028 178.631 176.600 0.005 0.000 0.981 99 E CA 0.929 57.370 56.400 0.068 0.000 0.830 99 E CB -0.192 29.538 29.700 0.049 0.000 0.775 99 E HN 0.130 nan 8.360 nan 0.000 0.470 100 S N 0.548 116.246 115.700 -0.002 0.000 2.447 100 S HA -0.025 4.445 4.470 0.000 0.000 0.233 100 S C 0.817 175.374 174.600 -0.072 0.000 1.006 100 S CA 0.306 58.477 58.200 -0.048 0.000 0.957 100 S CB 0.220 63.392 63.200 -0.046 0.000 0.773 100 S HN -0.035 nan 8.310 nan 0.000 0.507 101 V N 1.664 121.539 119.914 -0.065 0.000 2.617 101 V HA 0.572 4.692 4.120 0.000 0.000 0.298 101 V C 0.022 176.063 176.094 -0.089 0.000 1.048 101 V CA -0.566 61.688 62.300 -0.076 0.000 0.964 101 V CB 1.403 33.183 31.823 -0.072 0.000 1.004 101 V HN 0.224 nan 8.190 nan 0.000 0.466 102 R N 1.909 122.330 120.500 -0.132 0.000 2.579 102 R HA 0.686 5.026 4.340 0.000 0.000 0.260 102 R C -1.857 174.154 176.300 -0.482 0.000 1.103 102 R CA -0.468 55.480 56.100 -0.254 0.000 0.942 102 R CB 2.309 32.542 30.300 -0.111 0.000 1.251 102 R HN 0.502 nan 8.270 nan 0.000 0.450 103 V N 1.765 121.162 119.914 -0.861 0.000 3.156 103 V HA 0.728 4.848 4.120 0.000 0.000 0.311 103 V C -1.189 173.990 176.094 -1.524 0.000 1.208 103 V CA -0.862 60.918 62.300 -0.866 0.000 1.063 103 V CB 2.102 33.692 31.823 -0.389 0.000 1.098 103 V HN 0.735 nan 8.190 nan 0.000 0.452 104 Y N -1.717 118.565 120.300 -0.030 0.000 2.779 104 Y HA 0.502 5.052 4.550 0.000 0.000 0.340 104 Y C 0.408 176.266 175.900 -0.070 0.000 1.252 104 Y CA -1.022 57.059 58.100 -0.031 0.000 1.072 104 Y CB 0.971 39.459 38.460 0.046 0.000 1.343 104 Y HN 0.665 nan 8.280 nan 0.000 0.450 105 L N 0.483 121.773 121.223 0.111 0.000 1.829 105 L HA 0.287 4.627 4.340 0.000 0.000 0.232 105 L C 1.745 178.630 176.870 0.025 0.000 1.087 105 L CA 1.488 56.341 54.840 0.022 0.000 0.988 105 L CB -1.185 40.885 42.059 0.019 0.000 0.943 105 L HN 0.809 nan 8.230 nan 0.000 0.499 106 G N -0.087 108.723 108.800 0.017 0.000 2.556 106 G HA2 -0.025 3.935 3.960 0.000 0.000 0.215 106 G HA3 -0.025 3.935 3.960 0.000 0.000 0.215 106 G C 0.155 175.063 174.900 0.014 0.000 1.258 106 G CA 0.700 45.804 45.100 0.008 0.000 0.811 106 G HN 0.743 nan 8.290 nan 0.000 0.557 107 N N -0.389 118.305 118.700 -0.010 0.000 4.389 107 N HA 0.106 4.846 4.740 0.000 0.000 0.182 107 N C -2.515 172.918 175.510 -0.129 0.000 1.101 107 N CA -0.517 52.519 53.050 -0.024 0.000 1.036 107 N CB 2.124 40.606 38.487 -0.008 0.000 1.596 107 N HN 0.186 nan 8.380 nan 0.000 0.880 108 P HA 0.203 nan 4.420 nan 0.000 0.233 108 P C -0.776 176.001 177.300 -0.871 0.000 1.157 108 P CA 0.798 63.491 63.100 -0.679 0.000 0.876 108 P CB 0.642 31.724 31.700 -1.031 0.000 0.947 109 Y N 0.514 120.829 120.300 0.026 0.000 2.346 109 Y HA 0.327 4.877 4.550 0.000 0.000 0.332 109 Y C 0.555 176.482 175.900 0.046 0.000 0.985 109 Y CA -1.368 56.753 58.100 0.035 0.000 1.112 109 Y CB 0.810 39.320 38.460 0.084 0.000 1.170 109 Y HN -0.257 nan 8.280 nan 0.000 0.447 132 L N 2.132 123.373 121.223 0.030 0.000 2.678 132 L HA 0.828 5.168 4.340 0.000 0.000 0.250 132 L C 0.552 177.479 176.870 0.095 0.000 1.455 132 L CA 0.456 55.340 54.840 0.073 0.000 0.823 132 L CB 0.707 42.835 42.059 0.114 0.000 1.107 132 L HN 0.936 nan 8.230 nan 0.000 0.514 133 G N -0.084 108.751 108.800 0.057 0.000 4.890 133 G HA2 0.095 4.055 3.960 0.000 0.000 0.225 133 G HA3 0.095 4.055 3.960 0.000 0.000 0.225 133 G C 0.116 175.034 174.900 0.031 0.000 2.100 133 G CA 0.379 45.506 45.100 0.045 0.000 0.773 133 G HN 0.382 nan 8.290 nan 0.000 0.279 134 E N -0.465 119.752 120.200 0.029 0.000 3.155 134 E HA 0.109 4.459 4.350 0.000 0.000 0.208 134 E C 1.675 178.292 176.600 0.028 0.000 1.060 134 E CA -0.174 56.240 56.400 0.023 0.000 1.522 134 E CB 0.152 29.861 29.700 0.014 0.000 1.433 134 E HN 0.057 nan 8.360 nan 0.000 0.709 135 I N 2.341 122.923 120.570 0.019 0.000 2.091 135 I HA -0.241 3.929 4.170 0.000 0.000 0.239 135 I C 2.503 178.663 176.117 0.071 0.000 1.061 135 I CA 1.605 62.925 61.300 0.033 0.000 1.317 135 I CB -1.927 36.060 38.000 -0.020 0.000 1.031 135 I HN 0.199 nan 8.210 nan 0.000 0.401 136 S N 0.679 116.425 115.700 0.077 0.000 2.249 136 S HA -0.326 4.144 4.470 0.000 0.000 0.410 136 S C 1.882 176.526 174.600 0.073 0.000 1.341 136 S CA 1.917 60.175 58.200 0.097 0.000 2.520 136 S CB -0.720 62.532 63.200 0.086 0.000 0.879 136 S HN 0.554 nan 8.310 nan 0.000 0.355 137 E N -0.237 119.996 120.200 0.054 0.000 2.722 137 E HA -0.429 3.921 4.350 0.000 0.000 0.245 137 E C 1.789 178.417 176.600 0.046 0.000 1.004 137 E CA 3.398 59.823 56.400 0.042 0.000 1.405 137 E CB -1.821 27.898 29.700 0.032 0.000 1.325 137 E HN 0.892 nan 8.360 nan 0.000 0.479 138 T N 0.978 115.559 114.554 0.045 0.000 2.481 138 T HA -0.250 4.100 4.350 0.000 0.000 0.252 138 T C 1.859 176.590 174.700 0.053 0.000 1.242 138 T CA 3.038 65.164 62.100 0.045 0.000 1.170 138 T CB -0.840 68.055 68.868 0.046 0.000 0.860 138 T HN 0.405 nan 8.240 nan 0.000 0.422 139 L N -0.281 120.985 121.223 0.072 0.000 2.645 139 L HA 0.617 4.957 4.340 0.000 0.000 0.234 139 L C 1.647 178.566 176.870 0.082 0.000 1.165 139 L CA 0.845 55.733 54.840 0.080 0.000 0.944 139 L CB -1.389 40.734 42.059 0.107 0.000 1.149 139 L HN 0.790 nan 8.230 nan 0.000 0.446 140 G N -1.281 107.561 108.800 0.070 0.000 3.685 140 G HA2 0.134 4.094 3.960 0.000 0.000 0.215 140 G HA3 0.134 4.094 3.960 0.000 0.000 0.215 140 G C 0.621 175.553 174.900 0.053 0.000 0.987 140 G CA 0.342 45.480 45.100 0.064 0.000 0.884 140 G HN 0.630 nan 8.290 nan 0.000 0.406 141 A N 0.000 122.853 122.820 0.054 0.000 2.254 141 A HA 0.000 4.320 4.320 0.000 0.000 0.244 141 A CA 0.000 52.060 52.037 0.039 0.000 0.836 141 A CB 0.000 19.020 19.000 0.033 0.000 0.831 141 A HN 0.000 nan 8.150 nan 0.000 0.486