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 1x3g_1_B DATA FIRST_RESID 3 DATA SEQUENCE GDTTITVVGN LTADPELRFT PSGAAVANFT VASTPRMFDR QSGEWKDGEA DATA SEQUENCE LFLRCNIWRE AAENVAESLT RGSRVIVTGR LKQRSFETRX XXKRTVVEVE DATA SEQUENCE VDEIGPSLRY ATAKVNKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.900 174.900 0.000 0.000 0.946 3 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 4 D N 0.547 120.948 120.400 0.001 0.000 2.388 4 D HA 0.627 5.267 4.640 -0.000 0.000 0.254 4 D C 0.239 176.541 176.300 0.004 0.000 1.111 4 D CA -0.107 53.894 54.000 0.003 0.000 0.993 4 D CB 1.126 41.928 40.800 0.003 0.000 1.118 4 D HN 0.141 nan 8.370 nan 0.000 0.502 5 T N 0.757 115.314 114.554 0.005 0.000 2.753 5 T HA 0.463 4.813 4.350 -0.000 0.000 0.297 5 T C -0.164 174.540 174.700 0.007 0.000 0.981 5 T CA -0.719 61.384 62.100 0.006 0.000 0.956 5 T CB 0.315 69.187 68.868 0.006 0.000 0.936 5 T HN 0.426 nan 8.240 nan 0.000 0.463 6 T N 1.431 115.989 114.554 0.007 0.000 2.952 6 T HA 0.864 5.214 4.350 -0.000 0.000 0.286 6 T C -0.146 174.559 174.700 0.007 0.000 1.024 6 T CA -0.980 61.125 62.100 0.008 0.000 1.029 6 T CB 1.170 70.043 68.868 0.008 0.000 1.094 6 T HN 0.700 nan 8.240 nan 0.000 0.515 7 I N -2.246 118.329 120.570 0.008 0.000 2.908 7 I HA 0.621 4.791 4.170 -0.000 0.000 0.300 7 I C -1.428 174.694 176.117 0.007 0.000 1.385 7 I CA -0.968 60.336 61.300 0.007 0.000 1.004 7 I CB 2.353 40.356 38.000 0.005 0.000 1.309 7 I HN 0.591 nan 8.210 nan 0.000 0.449 8 T N 4.294 118.851 114.554 0.005 0.000 2.771 8 T HA 0.629 4.979 4.350 -0.000 0.000 0.281 8 T C -0.480 174.220 174.700 -0.000 0.000 0.982 8 T CA -0.478 61.624 62.100 0.003 0.000 0.978 8 T CB 1.528 70.395 68.868 -0.000 0.000 0.930 8 T HN 0.427 nan 8.240 nan 0.000 0.447 9 V N 4.149 124.064 119.914 0.001 0.000 2.444 9 V HA 0.484 4.604 4.120 -0.000 0.000 0.294 9 V C -0.201 175.886 176.094 -0.012 0.000 1.022 9 V CA -0.811 61.486 62.300 -0.005 0.000 0.850 9 V CB 1.802 33.626 31.823 0.000 0.000 0.992 9 V HN 0.685 nan 8.190 nan 0.000 0.426 10 V N 4.109 124.008 119.914 -0.024 0.000 2.459 10 V HA 1.014 5.133 4.120 -0.000 0.000 0.295 10 V C 0.632 176.698 176.094 -0.047 0.000 1.029 10 V CA 0.497 62.775 62.300 -0.038 0.000 0.874 10 V CB 1.186 32.981 31.823 -0.046 0.000 0.985 10 V HN 1.142 nan 8.190 nan 0.000 0.438 11 G N 4.255 113.024 108.800 -0.053 0.000 2.348 11 G HA2 0.376 4.335 3.960 -0.000 0.000 0.296 11 G HA3 0.376 4.335 3.960 -0.000 0.000 0.296 11 G C -1.839 173.024 174.900 -0.061 0.000 1.258 11 G CA -0.817 44.244 45.100 -0.066 0.000 0.868 11 G HN 0.589 nan 8.290 nan 0.000 0.488 12 N N -0.632 118.024 118.700 -0.072 0.000 2.272 12 N HA 0.603 5.342 4.740 -0.000 0.000 0.305 12 N C -0.495 174.985 175.510 -0.051 0.000 1.103 12 N CA -0.702 52.316 53.050 -0.055 0.000 0.791 12 N CB 2.336 40.802 38.487 -0.036 0.000 1.356 12 N HN 0.439 nan 8.380 nan 0.000 0.486 13 L N 1.564 122.759 121.223 -0.046 0.000 2.477 13 L HA 0.075 4.415 4.340 -0.000 0.000 0.272 13 L C 1.683 178.563 176.870 0.016 0.000 1.157 13 L CA -0.082 54.746 54.840 -0.020 0.000 0.889 13 L CB 0.254 42.252 42.059 -0.102 0.000 1.158 13 L HN 0.872 nan 8.230 nan 0.000 0.473 14 T N 0.329 114.923 114.554 0.067 0.000 2.803 14 T HA -0.020 4.330 4.350 -0.000 0.000 0.269 14 T C 0.726 175.473 174.700 0.078 0.000 1.052 14 T CA 0.953 63.116 62.100 0.105 0.000 1.136 14 T CB 0.152 69.137 68.868 0.195 0.000 0.864 14 T HN 0.693 nan 8.240 nan 0.000 0.467 15 A N 0.223 123.081 122.820 0.063 0.000 2.733 15 A HA 0.601 4.921 4.320 -0.000 0.000 0.299 15 A C -1.448 176.145 177.584 0.015 0.000 1.252 15 A CA -0.830 51.231 52.037 0.040 0.000 0.677 15 A CB 0.305 19.334 19.000 0.049 0.000 1.361 15 A HN 0.195 nan 8.150 nan 0.000 0.528 16 D N 1.291 121.696 120.400 0.008 0.000 2.362 16 D HA 0.457 5.097 4.640 -0.000 0.000 0.242 16 D C -2.305 173.996 176.300 0.002 0.000 1.132 16 D CA -0.421 53.571 54.000 -0.013 0.000 0.907 16 D CB 0.382 41.177 40.800 -0.008 0.000 1.195 16 D HN 0.114 nan 8.370 nan 0.000 0.429 17 P HA 0.071 nan 4.420 nan 0.000 0.268 17 P C -0.451 176.873 177.300 0.039 0.000 1.205 17 P CA 0.049 63.161 63.100 0.020 0.000 0.771 17 P CB 0.508 32.168 31.700 -0.067 0.000 0.858 18 E N 2.744 122.985 120.200 0.067 0.000 2.073 18 E HA 0.304 4.654 4.350 -0.000 0.000 0.269 18 E C -1.338 175.244 176.600 -0.029 0.000 0.917 18 E CA -0.784 55.626 56.400 0.017 0.000 0.757 18 E CB 0.291 29.998 29.700 0.013 0.000 1.111 18 E HN 0.218 nan 8.360 nan 0.000 0.410 19 L N 6.132 127.330 121.223 -0.041 0.000 2.272 19 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 19 L C -0.367 176.441 176.870 -0.102 0.000 1.032 19 L CA -0.049 54.722 54.840 -0.115 0.000 0.810 19 L CB 0.625 42.623 42.059 -0.102 0.000 1.205 19 L HN 0.596 nan 8.230 nan 0.000 0.422 20 R N 2.884 123.267 120.500 -0.195 0.000 3.076 20 R HA 0.791 5.131 4.340 -0.000 0.000 0.239 20 R C -1.427 174.694 176.300 -0.299 0.000 1.392 20 R CA -0.861 55.204 56.100 -0.058 0.000 1.044 20 R CB 0.965 31.261 30.300 -0.006 0.000 1.389 20 R HN 0.296 nan 8.270 nan 0.000 0.498 21 F N 0.109 120.064 119.950 0.008 0.000 2.569 21 F HA 0.318 4.845 4.527 -0.000 0.000 0.312 21 F C 0.159 175.985 175.800 0.043 0.000 1.109 21 F CA -0.650 57.367 58.000 0.028 0.000 0.919 21 F CB 2.521 41.538 39.000 0.029 0.000 1.211 21 F HN 0.745 nan 8.300 nan 0.000 0.446 22 T N -0.099 114.587 114.554 0.219 0.000 2.802 22 T HA 0.169 4.518 4.350 -0.000 0.000 0.305 22 T C -1.503 173.294 174.700 0.163 0.000 1.053 22 T CA -1.200 61.004 62.100 0.174 0.000 1.058 22 T CB 0.870 69.845 68.868 0.177 0.000 0.988 22 T HN 0.425 nan 8.240 nan 0.000 0.539 23 P HA -0.174 nan 4.420 nan 0.000 0.216 23 P C 1.706 179.054 177.300 0.081 0.000 1.150 23 P CA 1.702 64.853 63.100 0.085 0.000 0.843 23 P CB -0.211 31.528 31.700 0.064 0.000 0.787 24 S N -1.849 113.905 115.700 0.090 0.000 2.522 24 S HA 0.208 4.678 4.470 -0.000 0.000 0.227 24 S C 1.699 176.358 174.600 0.099 0.000 0.986 24 S CA 1.095 59.341 58.200 0.078 0.000 0.929 24 S CB -0.769 62.471 63.200 0.068 0.000 0.769 24 S HN 0.356 nan 8.310 nan 0.000 0.529 25 G N 0.551 109.442 108.800 0.153 0.000 2.316 25 G HA2 0.005 3.965 3.960 -0.000 0.000 0.203 25 G HA3 0.005 3.965 3.960 -0.000 0.000 0.203 25 G C 0.289 175.387 174.900 0.331 0.000 0.999 25 G CA -0.191 45.034 45.100 0.208 0.000 0.649 25 G HN 1.264 nan 8.290 nan 0.000 0.489 26 A N 0.846 123.807 122.820 0.235 0.000 2.546 26 A HA 0.659 4.979 4.320 -0.000 0.000 0.243 26 A C 1.031 178.712 177.584 0.161 0.000 1.063 26 A CA 1.350 53.515 52.037 0.215 0.000 0.757 26 A CB 0.158 19.283 19.000 0.208 0.000 0.991 26 A HN 2.110 nan 8.150 nan 0.000 0.503 27 A N 2.205 125.026 122.820 0.002 0.000 2.322 27 A HA 0.600 4.919 4.320 -0.000 0.000 0.269 27 A C -0.158 177.269 177.584 -0.262 0.000 1.094 27 A CA -0.258 51.538 52.037 -0.401 0.000 0.807 27 A CB 0.441 19.186 19.000 -0.426 0.000 1.047 27 A HN 1.365 nan 8.150 nan 0.000 0.487 28 V N 0.517 120.177 119.914 -0.423 0.000 2.733 28 V HA 0.679 4.799 4.120 -0.000 0.000 0.306 28 V C 0.070 175.929 176.094 -0.392 0.000 1.084 28 V CA -0.224 61.772 62.300 -0.507 0.000 0.905 28 V CB 1.563 33.043 31.823 -0.572 0.000 1.010 28 V HN 1.359 nan 8.190 nan 0.000 0.424 29 A N 3.927 126.546 122.820 -0.335 0.000 2.350 29 A HA 0.947 5.267 4.320 -0.000 0.000 0.324 29 A C -0.652 176.803 177.584 -0.216 0.000 1.118 29 A CA -0.649 51.292 52.037 -0.161 0.000 0.783 29 A CB 1.112 20.113 19.000 0.003 0.000 1.236 29 A HN 0.919 nan 8.150 nan 0.000 0.457 30 N N -0.025 118.590 118.700 -0.142 0.000 2.265 30 N HA 0.859 5.599 4.740 -0.000 0.000 0.300 30 N C -1.009 174.449 175.510 -0.086 0.000 1.148 30 N CA -0.392 52.480 53.050 -0.297 0.000 0.772 30 N CB 1.970 40.316 38.487 -0.235 0.000 1.434 30 N HN 0.681 nan 8.380 nan 0.000 0.481 31 F N -2.840 117.061 119.950 -0.081 0.000 2.799 31 F HA 0.611 5.138 4.527 -0.000 0.000 0.316 31 F C -1.056 174.726 175.800 -0.030 0.000 1.155 31 F CA -1.233 56.739 58.000 -0.047 0.000 0.916 31 F CB 0.695 39.667 39.000 -0.046 0.000 1.294 31 F HN 0.360 nan 8.300 nan 0.000 0.447 32 T N -0.425 114.244 114.554 0.192 0.000 2.888 32 T HA 0.833 5.183 4.350 -0.000 0.000 0.284 32 T C -1.149 173.661 174.700 0.182 0.000 1.017 32 T CA -0.789 61.394 62.100 0.139 0.000 1.022 32 T CB 1.744 70.710 68.868 0.164 0.000 1.013 32 T HN 0.742 nan 8.240 nan 0.000 0.465 33 V N 1.345 121.315 119.914 0.093 0.000 2.667 33 V HA 0.795 4.915 4.120 -0.000 0.000 0.308 33 V C 0.195 176.183 176.094 -0.178 0.000 1.048 33 V CA -1.072 61.235 62.300 0.011 0.000 0.928 33 V CB 1.671 33.522 31.823 0.046 0.000 1.004 33 V HN 1.272 nan 8.190 nan 0.000 0.444 34 A N 2.475 125.125 122.820 -0.283 0.000 2.328 34 A HA 0.659 4.979 4.320 -0.000 0.000 0.318 34 A C -0.038 177.362 177.584 -0.307 0.000 1.347 34 A CA -0.321 51.381 52.037 -0.557 0.000 0.842 34 A CB 0.606 19.202 19.000 -0.672 0.000 1.148 34 A HN 0.674 nan 8.150 nan 0.000 0.499 35 S N 2.187 117.742 115.700 -0.240 0.000 2.411 35 S HA 0.458 4.928 4.470 -0.000 0.000 0.294 35 S C 0.426 174.970 174.600 -0.094 0.000 1.115 35 S CA -0.203 57.924 58.200 -0.121 0.000 1.071 35 S CB 0.423 63.580 63.200 -0.072 0.000 0.967 35 S HN 0.848 nan 8.310 nan 0.000 0.488 36 T N 2.228 116.748 114.554 -0.056 0.000 2.770 36 T HA 0.547 4.897 4.350 -0.000 0.000 0.297 36 T C -2.333 172.382 174.700 0.026 0.000 0.997 36 T CA -1.843 60.252 62.100 -0.010 0.000 0.949 36 T CB 0.748 69.617 68.868 0.002 0.000 0.941 36 T HN 0.287 nan 8.240 nan 0.000 0.457 37 P HA 0.541 nan 4.420 nan 0.000 0.276 37 P C -0.527 176.834 177.300 0.102 0.000 1.244 37 P CA -0.597 62.546 63.100 0.071 0.000 0.801 37 P CB 0.566 32.305 31.700 0.065 0.000 1.006 38 R N 0.019 120.613 120.500 0.157 0.000 2.310 38 R HA 0.688 5.028 4.340 -0.000 0.000 0.324 38 R C 0.209 176.663 176.300 0.258 0.000 0.955 38 R CA -0.442 55.792 56.100 0.224 0.000 0.830 38 R CB 0.098 30.573 30.300 0.292 0.000 1.154 38 R HN 0.758 nan 8.270 nan 0.000 0.458 39 M N 2.304 122.000 119.600 0.160 0.000 2.233 39 M HA 0.623 5.103 4.480 -0.000 0.000 0.355 39 M C 0.895 177.209 176.300 0.024 0.000 1.191 39 M CA -0.788 54.561 55.300 0.081 0.000 1.101 39 M CB 0.102 32.725 32.600 0.037 0.000 1.592 39 M HN 0.983 nan 8.290 nan 0.000 0.461 40 F N 2.578 122.356 119.950 -0.287 0.000 2.146 40 F HA 0.213 4.740 4.527 -0.000 0.000 0.298 40 F C 1.371 176.982 175.800 -0.314 0.000 1.096 40 F CA 2.820 60.475 58.000 -0.576 0.000 1.275 40 F CB -0.322 38.177 39.000 -0.834 0.000 1.008 40 F HN 1.049 nan 8.300 nan 0.000 0.480 41 D N -1.075 119.036 120.400 -0.482 0.000 2.848 41 D HA -0.135 4.505 4.640 -0.000 0.000 0.245 41 D C 0.636 176.562 176.300 -0.623 0.000 1.122 41 D CA 0.732 54.467 54.000 -0.442 0.000 0.769 41 D CB -2.572 38.036 40.800 -0.320 0.000 1.025 41 D HN 0.893 nan 8.370 nan 0.000 0.423 42 R N -1.290 118.999 120.500 -0.353 0.000 4.160 42 R HA 0.503 4.843 4.340 -0.000 0.000 0.201 42 R C 1.023 177.270 176.300 -0.088 0.000 2.224 42 R CA 2.731 58.786 56.100 -0.075 0.000 1.808 42 R CB -1.196 29.237 30.300 0.222 0.000 1.109 42 R HN 2.554 nan 8.270 nan 0.000 0.625 43 Q N -1.692 117.997 119.800 -0.184 0.000 2.795 43 Q HA 0.679 5.019 4.340 -0.000 0.000 0.225 43 Q C 0.187 176.105 176.000 -0.137 0.000 0.967 43 Q CA 0.263 56.001 55.803 -0.109 0.000 1.105 43 Q CB -0.695 28.002 28.738 -0.069 0.000 1.759 43 Q HN 2.344 nan 8.270 nan 0.000 0.514 44 S N -0.209 115.431 115.700 -0.100 0.000 3.285 44 S HA 0.531 5.001 4.470 -0.000 0.000 0.852 44 S C 1.742 176.275 174.600 -0.113 0.000 1.066 44 S CA 1.337 59.487 58.200 -0.083 0.000 1.184 44 S CB -1.645 61.519 63.200 -0.059 0.000 0.953 44 S HN 3.051 nan 8.310 nan 0.000 0.299 45 G N 0.886 109.636 108.800 -0.084 0.000 2.825 45 G HA2 0.529 4.489 3.960 -0.000 0.000 0.684 45 G HA3 0.529 4.489 3.960 -0.000 0.000 0.684 45 G C 0.161 174.977 174.900 -0.140 0.000 1.528 45 G CA 0.963 46.018 45.100 -0.075 0.000 0.963 45 G HN 2.582 nan 8.290 nan 0.000 0.577 46 E N 0.855 121.025 120.200 -0.049 0.000 4.145 46 E HA 0.588 4.938 4.350 -0.000 0.000 0.483 46 E C 0.600 177.192 176.600 -0.013 0.000 0.739 46 E CA 0.301 56.693 56.400 -0.013 0.000 2.968 46 E CB -0.063 29.805 29.700 0.281 0.000 2.129 46 E HN 1.324 nan 8.360 nan 0.000 0.614 47 W N 0.646 121.919 121.300 -0.045 0.000 2.322 47 W HA 0.470 5.130 4.660 -0.000 0.000 0.328 47 W C 0.918 177.428 176.519 -0.014 0.000 1.395 47 W CA 0.425 57.779 57.345 0.015 0.000 1.267 47 W CB -0.653 28.878 29.460 0.118 0.000 1.259 47 W HN 0.858 nan 8.180 nan 0.000 0.560 48 K N 1.624 122.112 120.400 0.146 0.000 2.502 48 K HA 0.493 4.813 4.320 -0.000 0.000 0.252 48 K C -0.632 176.035 176.600 0.112 0.000 1.043 48 K CA -0.654 55.689 56.287 0.092 0.000 0.999 48 K CB 0.166 nan 32.500 nan 0.000 1.343 48 K HN 0.422 nan 8.250 nan 0.000 0.513 49 D N -0.600 119.846 120.400 0.076 0.000 2.198 49 D HA 0.525 5.165 4.640 -0.000 0.000 0.245 49 D C 0.484 176.823 176.300 0.065 0.000 1.079 49 D CA 0.445 54.490 54.000 0.074 0.000 0.854 49 D CB 1.463 42.299 40.800 0.060 0.000 1.148 49 D HN 0.704 nan 8.370 nan 0.000 0.456 50 G N 0.559 109.401 108.800 0.070 0.000 2.782 50 G HA2 0.541 4.501 3.960 -0.000 0.000 0.201 50 G HA3 0.541 4.501 3.960 -0.000 0.000 0.201 50 G C 0.209 175.144 174.900 0.058 0.000 1.374 50 G CA -0.086 45.050 45.100 0.061 0.000 1.039 50 G HN 0.598 nan 8.290 nan 0.000 0.576 51 E N -1.485 118.748 120.200 0.055 0.000 2.504 51 E HA 0.370 4.720 4.350 -0.000 0.000 0.266 51 E C 1.351 177.995 176.600 0.074 0.000 1.239 51 E CA 0.796 57.234 56.400 0.062 0.000 1.064 51 E CB -0.236 nan 29.700 nan 0.000 0.996 51 E HN 1.149 nan 8.360 nan 0.000 0.479 52 A N -0.306 122.580 122.820 0.110 0.000 1.972 52 A HA 0.507 4.826 4.320 -0.000 0.000 0.219 52 A C 1.201 178.825 177.584 0.067 0.000 1.467 52 A CA 0.698 52.840 52.037 0.174 0.000 0.631 52 A CB -0.107 19.112 19.000 0.365 0.000 1.143 52 A HN 1.543 nan 8.150 nan 0.000 0.502 53 L N -0.412 120.902 121.223 0.153 0.000 2.975 53 L HA -0.158 4.182 4.340 -0.000 0.000 0.628 53 L C -1.759 175.077 176.870 -0.056 0.000 1.006 53 L CA -0.280 54.603 54.840 0.072 0.000 1.321 53 L CB -0.743 41.318 42.059 0.004 0.000 1.705 53 L HN 0.433 nan 8.230 nan 0.000 0.822 54 F N 5.121 125.073 119.950 0.003 0.000 2.375 54 F HA 0.529 5.056 4.527 -0.000 0.000 0.361 54 F C 0.353 176.146 175.800 -0.012 0.000 1.117 54 F CA -0.341 57.659 58.000 0.000 0.000 1.037 54 F CB 1.387 40.385 39.000 -0.004 0.000 1.192 54 F HN 0.145 nan 8.300 nan 0.000 0.452 55 L N 4.094 125.350 121.223 0.055 0.000 2.325 55 L HA 0.522 4.861 4.340 -0.000 0.000 0.281 55 L C -0.154 176.714 176.870 -0.004 0.000 1.004 55 L CA -1.103 53.750 54.840 0.022 0.000 0.823 55 L CB 1.682 43.738 42.059 -0.005 0.000 1.236 55 L HN 0.388 nan 8.230 nan 0.000 0.415 56 R N 2.934 123.411 120.500 -0.039 0.000 2.210 56 R HA 0.328 4.668 4.340 -0.000 0.000 0.338 56 R C -1.071 175.107 176.300 -0.203 0.000 1.062 56 R CA -0.270 55.762 56.100 -0.113 0.000 0.902 56 R CB -0.138 30.100 30.300 -0.102 0.000 1.050 56 R HN 0.632 nan 8.270 nan 0.000 0.461 57 C N 4.890 123.967 119.300 -0.371 0.000 2.376 57 C HA 0.663 5.123 4.460 -0.000 0.000 0.335 57 C C -0.363 174.192 174.990 -0.726 0.000 1.229 57 C CA -1.363 57.371 59.018 -0.473 0.000 1.867 57 C CB 0.897 28.394 27.740 -0.405 0.000 2.319 57 C HN 0.915 nan 8.230 nan 0.000 0.515 58 N N 1.913 120.323 118.700 -0.483 0.000 2.314 58 N HA 0.669 5.409 4.740 -0.000 0.000 0.294 58 N C -1.651 173.617 175.510 -0.403 0.000 1.029 58 N CA -0.340 52.389 53.050 -0.535 0.000 0.845 58 N CB 2.226 40.404 38.487 -0.513 0.000 1.321 58 N HN 0.910 nan 8.380 nan 0.000 0.481 59 I N 0.785 121.129 120.570 -0.376 0.000 2.846 59 I HA 0.574 4.744 4.170 -0.000 0.000 0.307 59 I C -0.906 175.080 176.117 -0.217 0.000 1.053 59 I CA -0.885 60.341 61.300 -0.123 0.000 1.050 59 I CB 2.236 40.258 38.000 0.037 0.000 1.239 59 I HN 0.521 nan 8.210 nan 0.000 0.439 60 W N 4.950 126.239 121.300 -0.019 0.000 2.869 60 W HA 0.436 5.096 4.660 -0.000 0.000 0.345 60 W C 0.381 176.884 176.519 -0.027 0.000 1.191 60 W CA -0.358 56.968 57.345 -0.031 0.000 1.104 60 W CB 1.264 30.709 29.460 -0.026 0.000 1.471 60 W HN 0.615 nan 8.180 nan 0.000 0.612 61 R N 0.554 121.264 120.500 0.350 0.000 3.212 61 R HA -0.326 4.014 4.340 -0.000 0.000 0.670 61 R C 0.715 177.072 176.300 0.096 0.000 0.241 61 R CA 1.700 57.906 56.100 0.178 0.000 2.048 61 R CB -1.217 29.173 30.300 0.150 0.000 0.722 61 R HN 0.348 nan 8.270 nan 0.000 0.666 62 E N 0.970 121.221 120.200 0.084 0.000 2.347 62 E HA 0.034 4.384 4.350 -0.000 0.000 0.196 62 E C 1.905 178.534 176.600 0.048 0.000 1.008 62 E CA 1.318 57.754 56.400 0.060 0.000 0.852 62 E CB -0.201 29.533 29.700 0.056 0.000 0.783 62 E HN 0.585 nan 8.360 nan 0.000 0.505 63 A N 1.002 123.857 122.820 0.059 0.000 1.970 63 A HA 0.106 4.426 4.320 -0.000 0.000 0.216 63 A C 2.332 179.939 177.584 0.038 0.000 1.170 63 A CA 1.238 53.305 52.037 0.050 0.000 0.645 63 A CB -0.192 18.848 19.000 0.067 0.000 0.816 63 A HN 0.233 nan 8.150 nan 0.000 0.447 64 A N 0.010 122.849 122.820 0.031 0.000 2.015 64 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 64 A C 1.844 179.411 177.584 -0.029 0.000 1.163 64 A CA 1.476 53.509 52.037 -0.007 0.000 0.646 64 A CB -0.384 18.577 19.000 -0.066 0.000 0.806 64 A HN 0.616 nan 8.150 nan 0.000 0.448 65 E N 0.119 120.309 120.200 -0.018 0.000 2.106 65 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 65 E C 1.555 178.154 176.600 -0.002 0.000 0.984 65 E CA 1.030 57.424 56.400 -0.010 0.000 0.806 65 E CB -0.148 29.567 29.700 0.024 0.000 0.750 65 E HN 0.573 nan 8.360 nan 0.000 0.458 66 N N 0.433 119.135 118.700 0.003 0.000 2.244 66 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 66 N C 1.929 177.426 175.510 -0.020 0.000 1.016 66 N CA 0.716 53.765 53.050 -0.002 0.000 0.866 66 N CB -0.008 38.481 38.487 0.004 0.000 0.980 66 N HN 0.020 nan 8.380 nan 0.000 0.430 67 V N 1.812 121.710 119.914 -0.026 0.000 2.307 67 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 67 V C 2.415 178.463 176.094 -0.078 0.000 1.045 67 V CA 1.688 63.950 62.300 -0.064 0.000 1.024 67 V CB -0.814 30.981 31.823 -0.046 0.000 0.651 67 V HN 0.260 nan 8.190 nan 0.000 0.449 68 A N -0.872 121.919 122.820 -0.049 0.000 2.125 68 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 68 A C 2.183 179.748 177.584 -0.032 0.000 1.156 68 A CA 1.902 53.914 52.037 -0.042 0.000 0.671 68 A CB -0.374 18.609 19.000 -0.029 0.000 0.794 68 A HN 0.646 nan 8.150 nan 0.000 0.459 69 E N -1.127 119.056 120.200 -0.027 0.000 2.415 69 E HA 0.048 4.397 4.350 -0.000 0.000 0.197 69 E C 1.301 177.885 176.600 -0.027 0.000 1.007 69 E CA 0.716 57.105 56.400 -0.017 0.000 0.890 69 E CB 0.313 30.011 29.700 -0.004 0.000 0.891 69 E HN 0.556 nan 8.360 nan 0.000 0.496 70 S N -0.398 115.276 115.700 -0.043 0.000 2.613 70 S HA 0.268 4.738 4.470 -0.000 0.000 0.235 70 S C 0.388 174.947 174.600 -0.067 0.000 1.073 70 S CA -0.280 57.891 58.200 -0.048 0.000 0.899 70 S CB 0.692 63.864 63.200 -0.047 0.000 0.818 70 S HN 0.066 nan 8.310 nan 0.000 0.484 71 L N 2.284 123.448 121.223 -0.098 0.000 2.331 71 L HA 0.652 4.992 4.340 -0.000 0.000 0.275 71 L C 0.330 177.131 176.870 -0.116 0.000 1.022 71 L CA -0.527 54.236 54.840 -0.129 0.000 0.812 71 L CB 1.867 43.797 42.059 -0.216 0.000 1.257 71 L HN 0.186 nan 8.230 nan 0.000 0.435 72 T N -1.931 112.562 114.554 -0.101 0.000 2.693 72 T HA 0.380 4.730 4.350 -0.000 0.000 0.278 72 T C -0.221 174.438 174.700 -0.068 0.000 0.994 72 T CA -1.008 61.048 62.100 -0.073 0.000 1.033 72 T CB 1.405 70.246 68.868 -0.045 0.000 1.342 72 T HN 0.615 nan 8.240 nan 0.000 0.538 73 R N 0.034 120.511 120.500 -0.038 0.000 2.583 73 R HA 0.315 4.655 4.340 -0.000 0.000 0.274 73 R C 1.132 177.419 176.300 -0.022 0.000 0.998 73 R CA 1.219 57.307 56.100 -0.020 0.000 1.081 73 R CB -0.818 29.480 30.300 -0.004 0.000 0.940 73 R HN 1.455 nan 8.270 nan 0.000 0.413 74 G N 3.230 112.021 108.800 -0.016 0.000 2.395 74 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.300 74 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.300 74 G C -0.483 174.405 174.900 -0.020 0.000 0.998 74 G CA 0.642 45.735 45.100 -0.012 0.000 1.046 74 G HN 0.590 nan 8.290 nan 0.000 0.513 75 S N -0.894 114.779 115.700 -0.045 0.000 2.578 75 S HA 0.573 5.042 4.470 -0.000 0.000 0.283 75 S C 0.643 175.213 174.600 -0.051 0.000 1.195 75 S CA -0.786 57.385 58.200 -0.048 0.000 1.050 75 S CB 1.658 64.810 63.200 -0.080 0.000 1.012 75 S HN 0.601 nan 8.310 nan 0.000 0.511 76 R N 2.046 122.522 120.500 -0.040 0.000 2.234 76 R HA 0.495 4.835 4.340 -0.000 0.000 0.324 76 R C -0.588 175.670 176.300 -0.071 0.000 1.054 76 R CA -0.326 55.742 56.100 -0.052 0.000 0.912 76 R CB 0.125 30.390 30.300 -0.057 0.000 1.030 76 R HN 0.543 nan 8.270 nan 0.000 0.455 77 V N 2.077 121.949 119.914 -0.071 0.000 3.074 77 V HA 0.650 4.769 4.120 -0.000 0.000 0.314 77 V C -0.303 175.761 176.094 -0.050 0.000 1.117 77 V CA -1.120 61.139 62.300 -0.068 0.000 1.014 77 V CB 2.083 33.855 31.823 -0.085 0.000 1.057 77 V HN 0.632 nan 8.190 nan 0.000 0.438 78 I N 1.471 122.018 120.570 -0.039 0.000 2.433 78 I HA 0.727 4.897 4.170 -0.000 0.000 0.292 78 I C -0.892 175.224 176.117 -0.001 0.000 1.001 78 I CA -0.899 60.386 61.300 -0.025 0.000 1.119 78 I CB 2.015 39.997 38.000 -0.030 0.000 1.289 78 I HN 0.435 nan 8.210 nan 0.000 0.438 79 V N 3.734 123.656 119.914 0.012 0.000 2.789 79 V HA 0.586 4.706 4.120 -0.000 0.000 0.311 79 V C -0.341 175.768 176.094 0.026 0.000 1.073 79 V CA -0.504 61.818 62.300 0.036 0.000 0.921 79 V CB 2.263 34.128 31.823 0.070 0.000 1.009 79 V HN 0.806 nan 8.190 nan 0.000 0.426 80 T N 2.114 116.686 114.554 0.030 0.000 2.886 80 T HA 0.885 5.235 4.350 -0.000 0.000 0.292 80 T C -0.255 174.462 174.700 0.029 0.000 1.012 80 T CA 0.398 62.512 62.100 0.022 0.000 0.982 80 T CB 1.584 70.461 68.868 0.016 0.000 1.018 80 T HN 1.371 nan 8.240 nan 0.000 0.451 81 G N 2.974 111.789 108.800 0.024 0.000 2.490 81 G HA2 0.599 4.559 3.960 -0.000 0.000 0.308 81 G HA3 0.599 4.559 3.960 -0.000 0.000 0.308 81 G C -1.850 173.063 174.900 0.021 0.000 1.286 81 G CA -0.907 44.210 45.100 0.027 0.000 0.825 81 G HN 0.806 nan 8.290 nan 0.000 0.479 82 R N -0.745 119.769 120.500 0.023 0.000 2.740 82 R HA 0.609 4.948 4.340 -0.000 0.000 0.282 82 R C -0.625 175.684 176.300 0.015 0.000 0.969 82 R CA -0.794 55.316 56.100 0.018 0.000 0.918 82 R CB 2.334 32.646 30.300 0.021 0.000 1.175 82 R HN 0.300 nan 8.270 nan 0.000 0.464 83 L N 2.926 124.155 121.223 0.010 0.000 2.265 83 L HA 0.345 4.684 4.340 -0.000 0.000 0.288 83 L C -0.248 176.627 176.870 0.009 0.000 1.058 83 L CA -0.415 54.428 54.840 0.006 0.000 0.809 83 L CB 0.974 43.035 42.059 0.004 0.000 1.179 83 L HN 0.337 nan 8.230 nan 0.000 0.429 84 K N 2.649 123.055 120.400 0.009 0.000 2.221 84 K HA 0.448 4.768 4.320 -0.000 0.000 0.243 84 K C -0.837 175.766 176.600 0.005 0.000 0.968 84 K CA -0.498 55.797 56.287 0.014 0.000 0.846 84 K CB 1.650 34.167 32.500 0.029 0.000 1.141 84 K HN 0.420 nan 8.250 nan 0.000 0.434 85 Q N 1.963 121.770 119.800 0.010 0.000 2.321 85 Q HA 0.404 4.744 4.340 -0.000 0.000 0.270 85 Q C -1.059 174.951 176.000 0.017 0.000 1.032 85 Q CA -0.695 55.112 55.803 0.008 0.000 0.784 85 Q CB 1.194 29.941 28.738 0.014 0.000 1.264 85 Q HN 0.420 nan 8.270 nan 0.000 0.448 86 R N 1.533 122.038 120.500 0.007 0.000 2.732 86 R HA 0.529 4.868 4.340 -0.000 0.000 0.278 86 R C -0.847 175.496 176.300 0.073 0.000 0.976 86 R CA -0.778 55.339 56.100 0.029 0.000 0.963 86 R CB 2.132 32.435 30.300 0.006 0.000 1.150 86 R HN 0.487 nan 8.270 nan 0.000 0.478 87 S N 3.000 118.769 115.700 0.115 0.000 2.420 87 S HA 0.344 4.814 4.470 -0.000 0.000 0.313 87 S C -0.735 174.027 174.600 0.269 0.000 1.079 87 S CA -0.661 57.655 58.200 0.193 0.000 1.104 87 S CB 0.180 63.448 63.200 0.114 0.000 0.969 87 S HN 0.368 nan 8.310 nan 0.000 0.471 88 F N 0.183 120.136 119.950 0.006 0.000 2.458 88 F HA 0.833 5.360 4.527 -0.000 0.000 0.330 88 F C 0.034 175.836 175.800 0.004 0.000 1.082 88 F CA -2.353 55.650 58.000 0.005 0.000 0.995 88 F CB -0.199 38.803 39.000 0.002 0.000 1.170 88 F HN 0.455 nan 8.300 nan 0.000 0.478 89 E N 1.459 121.613 120.200 -0.078 0.000 2.229 89 E HA 0.505 4.855 4.350 -0.000 0.000 0.283 89 E C 0.343 176.781 176.600 -0.271 0.000 1.030 89 E CA -0.354 55.940 56.400 -0.176 0.000 0.836 89 E CB -0.383 29.279 29.700 -0.065 0.000 1.068 89 E HN 0.894 nan 8.360 nan 0.000 0.401 90 T N -1.027 113.337 114.554 -0.317 0.000 2.589 90 T HA 0.560 4.909 4.350 -0.000 0.000 0.342 90 T C 1.188 175.807 174.700 -0.134 0.000 1.044 90 T CA 0.941 62.886 62.100 -0.260 0.000 1.020 90 T CB 0.081 68.823 68.868 -0.210 0.000 1.070 90 T HN 2.304 nan 8.240 nan 0.000 0.524 96 R N 0.092 120.543 120.500 -0.081 0.000 2.884 96 R HA 0.992 5.332 4.340 -0.000 0.000 0.199 96 R C 1.142 177.666 176.300 0.373 0.000 1.508 96 R CA 1.070 57.267 56.100 0.161 0.000 0.952 96 R CB -0.705 nan 30.300 nan 0.000 2.325 96 R HN 2.047 nan 8.270 nan 0.000 0.514 97 T N -1.442 113.314 114.554 0.338 0.000 2.888 97 T HA 0.686 5.036 4.350 -0.000 0.000 0.288 97 T C -0.704 173.988 174.700 -0.013 0.000 1.063 97 T CA -0.468 61.749 62.100 0.195 0.000 1.010 97 T CB 1.508 70.435 68.868 0.099 0.000 1.214 97 T HN 0.752 nan 8.240 nan 0.000 0.533 98 V N 0.109 119.954 119.914 -0.114 0.000 3.130 98 V HA 0.778 4.897 4.120 -0.000 0.000 0.310 98 V C -0.839 175.199 176.094 -0.094 0.000 1.158 98 V CA -0.802 61.380 62.300 -0.195 0.000 1.029 98 V CB 2.115 33.720 31.823 -0.363 0.000 1.057 98 V HN 0.744 nan 8.190 nan 0.000 0.436 99 V N 2.165 122.031 119.914 -0.080 0.000 2.444 99 V HA 0.548 4.668 4.120 -0.000 0.000 0.294 99 V C -0.373 175.691 176.094 -0.050 0.000 1.022 99 V CA -0.234 62.039 62.300 -0.045 0.000 0.850 99 V CB 1.741 33.550 31.823 -0.023 0.000 0.992 99 V HN 1.015 nan 8.190 nan 0.000 0.426 100 E N 3.134 123.307 120.200 -0.045 0.000 2.393 100 E HA 0.711 5.061 4.350 -0.000 0.000 0.265 100 E C -1.609 174.967 176.600 -0.040 0.000 0.941 100 E CA -0.908 55.458 56.400 -0.057 0.000 0.801 100 E CB 2.781 32.438 29.700 -0.073 0.000 1.313 100 E HN 0.357 nan 8.360 nan 0.000 0.435 101 V N 1.371 121.249 119.914 -0.060 0.000 2.407 101 V HA 0.175 4.295 4.120 -0.000 0.000 0.291 101 V C -0.528 175.546 176.094 -0.034 0.000 1.018 101 V CA -0.564 61.714 62.300 -0.038 0.000 0.842 101 V CB 1.360 33.159 31.823 -0.039 0.000 0.996 101 V HN 0.580 nan 8.190 nan 0.000 0.426 102 E N 3.552 123.766 120.200 0.024 0.000 2.129 102 E HA 0.307 4.657 4.350 -0.000 0.000 0.283 102 E C -0.614 176.027 176.600 0.069 0.000 1.080 102 E CA -0.320 56.131 56.400 0.085 0.000 0.867 102 E CB 1.274 31.054 29.700 0.133 0.000 1.056 102 E HN 0.533 nan 8.360 nan 0.000 0.404 103 V N 5.355 125.305 119.914 0.061 0.000 2.572 103 V HA -0.044 4.076 4.120 -0.000 0.000 0.291 103 V C 0.666 176.812 176.094 0.086 0.000 1.039 103 V CA 0.126 62.466 62.300 0.066 0.000 1.055 103 V CB 1.203 33.072 31.823 0.076 0.000 0.969 103 V HN 0.760 nan 8.190 nan 0.000 0.482 104 D N 1.834 122.273 120.400 0.065 0.000 2.468 104 D HA 0.138 4.778 4.640 -0.000 0.000 0.243 104 D C 0.597 176.929 176.300 0.054 0.000 0.994 104 D CA 0.753 54.787 54.000 0.057 0.000 0.932 104 D CB 0.564 41.387 40.800 0.038 0.000 1.078 104 D HN 0.652 nan 8.370 nan 0.000 0.473 105 E N -0.069 120.159 120.200 0.046 0.000 2.369 105 E HA 0.661 5.011 4.350 -0.000 0.000 0.270 105 E C -0.625 176.001 176.600 0.043 0.000 0.909 105 E CA -0.710 55.713 56.400 0.040 0.000 0.775 105 E CB 3.407 33.122 29.700 0.025 0.000 1.270 105 E HN 0.016 nan 8.360 nan 0.000 0.445 106 I N -0.685 119.905 120.570 0.033 0.000 2.842 106 I HA 0.596 4.766 4.170 -0.000 0.000 0.296 106 I C -1.676 174.440 176.117 -0.003 0.000 1.538 106 I CA -0.241 61.074 61.300 0.026 0.000 0.994 106 I CB 2.196 40.231 38.000 0.058 0.000 1.372 106 I HN 0.674 nan 8.210 nan 0.000 0.478 107 G N 5.070 113.856 108.800 -0.022 0.000 2.616 107 G HA2 0.509 4.469 3.960 -0.000 0.000 0.294 107 G HA3 0.509 4.469 3.960 -0.000 0.000 0.294 107 G C -3.359 171.510 174.900 -0.051 0.000 1.489 107 G CA -0.792 44.286 45.100 -0.036 0.000 0.836 107 G HN 0.335 nan 8.290 nan 0.000 0.527 108 P HA 0.236 nan 4.420 nan 0.000 0.271 108 P C 0.316 177.582 177.300 -0.058 0.000 1.226 108 P CA 0.172 63.236 63.100 -0.060 0.000 0.765 108 P CB 1.501 33.169 31.700 -0.053 0.000 0.835 109 S N 3.644 119.301 115.700 -0.071 0.000 2.531 109 S HA 0.136 4.606 4.470 -0.000 0.000 0.279 109 S C 0.993 175.539 174.600 -0.089 0.000 1.305 109 S CA -0.612 57.535 58.200 -0.089 0.000 1.058 109 S CB -0.316 62.810 63.200 -0.122 0.000 0.899 109 S HN 0.349 nan 8.310 nan 0.000 0.493 110 L N 4.056 125.230 121.223 -0.081 0.000 2.672 110 L HA 0.210 4.550 4.340 -0.000 0.000 0.236 110 L C 2.250 179.068 176.870 -0.087 0.000 1.186 110 L CA -0.218 54.584 54.840 -0.064 0.000 0.977 110 L CB -0.556 41.477 42.059 -0.044 0.000 1.203 110 L HN 0.688 nan 8.230 nan 0.000 0.448 111 R N 1.032 121.425 120.500 -0.179 0.000 2.088 111 R HA -0.189 4.151 4.340 -0.000 0.000 0.232 111 R C 1.317 177.510 176.300 -0.177 0.000 1.136 111 R CA 2.182 58.095 56.100 -0.310 0.000 0.926 111 R CB -0.316 29.590 30.300 -0.657 0.000 0.837 111 R HN 0.396 nan 8.270 nan 0.000 0.429 112 Y N -1.514 118.769 120.300 -0.030 0.000 2.481 112 Y HA 0.556 5.106 4.550 -0.000 0.000 0.247 112 Y C 0.141 176.026 175.900 -0.026 0.000 1.151 112 Y CA -0.670 57.413 58.100 -0.028 0.000 1.238 112 Y CB 0.897 39.340 38.460 -0.029 0.000 1.179 112 Y HN 0.175 nan 8.280 nan 0.000 0.524 113 A N 0.583 123.455 122.820 0.086 0.000 2.498 113 A HA 0.696 5.016 4.320 -0.000 0.000 0.298 113 A C -0.275 177.317 177.584 0.013 0.000 1.075 113 A CA -0.629 51.435 52.037 0.045 0.000 0.714 113 A CB 0.875 19.893 19.000 0.030 0.000 1.299 113 A HN 0.086 nan 8.150 nan 0.000 0.407 114 T N -0.913 113.646 114.554 0.009 0.000 2.925 114 T HA 0.843 5.193 4.350 -0.000 0.000 0.285 114 T C -0.121 174.575 174.700 -0.006 0.000 1.021 114 T CA -0.043 62.056 62.100 -0.001 0.000 1.042 114 T CB 1.702 70.571 68.868 0.001 0.000 1.037 114 T HN 1.949 nan 8.240 nan 0.000 0.481 115 A N 0.307 123.120 122.820 -0.010 0.000 2.498 115 A HA 0.899 5.219 4.320 -0.000 0.000 0.298 115 A C -0.322 177.256 177.584 -0.011 0.000 1.075 115 A CA -1.061 50.968 52.037 -0.013 0.000 0.714 115 A CB 1.144 20.133 19.000 -0.018 0.000 1.299 115 A HN 1.331 nan 8.150 nan 0.000 0.407 116 K N 1.104 121.498 120.400 -0.010 0.000 2.464 116 K HA 0.645 4.965 4.320 -0.000 0.000 0.252 116 K C -0.839 175.756 176.600 -0.009 0.000 1.000 116 K CA -0.461 55.821 56.287 -0.008 0.000 0.951 116 K CB 0.916 33.411 32.500 -0.007 0.000 1.183 116 K HN 0.954 nan 8.250 nan 0.000 0.445 117 V N 2.745 122.654 119.914 -0.008 0.000 2.644 117 V HA 0.459 4.579 4.120 -0.000 0.000 0.295 117 V C -0.114 175.977 176.094 -0.005 0.000 1.053 117 V CA -1.049 61.247 62.300 -0.008 0.000 0.987 117 V CB 1.587 33.405 31.823 -0.008 0.000 1.006 117 V HN 0.935 nan 8.190 nan 0.000 0.472 118 N N 3.214 121.911 118.700 -0.004 0.000 2.410 118 N HA 0.379 5.119 4.740 -0.000 0.000 0.287 118 N C -0.897 174.613 175.510 0.001 0.000 1.044 118 N CA -0.693 52.356 53.050 -0.001 0.000 0.881 118 N CB 2.559 41.046 38.487 -0.000 0.000 1.405 118 N HN 0.561 nan 8.380 nan 0.000 0.490 119 K N 0.914 121.315 120.400 0.002 0.000 2.098 119 K HA 0.629 4.949 4.320 -0.000 0.000 0.257 119 K C 0.074 176.678 176.600 0.006 0.000 0.999 119 K CA -0.444 55.846 56.287 0.003 0.000 0.924 119 K CB 1.156 33.657 32.500 0.003 0.000 1.028 119 K HN 0.585 nan 8.250 nan 0.000 0.466 120 A N 0.000 122.825 122.820 0.008 0.000 2.254 120 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 120 A CA 0.000 52.043 52.037 0.010 0.000 0.836 120 A CB 0.000 19.008 19.000 0.013 0.000 0.831 120 A HN 0.000 nan 8.150 nan 0.000 0.486