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 1zhq_1_H DATA FIRST_RESID 1 DATA SEQUENCE ASYKVNIPAG PLWSNAEAQQ VGPKIAAAHQ GNFTGQWTTV VESAMSVVEV DATA SEQUENCE ELQVENTGIH EFKTDVLAGP LWSNDEAQKL GPQIAASYGA EFTGQWRTIV DATA SEQUENCE EGVMSVIQIK YTF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.663 177.584 0.132 0.000 1.274 1 A CA 0.000 52.090 52.037 0.088 0.000 0.836 1 A CB 0.000 19.048 19.000 0.079 0.000 0.831 2 S N -0.260 115.527 115.700 0.144 0.000 2.697 2 S HA 1.011 5.479 4.470 -0.004 0.000 0.289 2 S C -0.710 174.046 174.600 0.261 0.000 1.149 2 S CA -0.115 58.189 58.200 0.173 0.000 0.850 2 S CB 1.706 64.941 63.200 0.058 0.000 1.151 2 S HN 2.187 nan 8.310 nan 0.000 0.491 3 Y N -1.714 118.603 120.300 0.030 0.000 2.725 3 Y HA 0.820 5.369 4.550 -0.003 0.000 0.333 3 Y C -1.603 174.312 175.900 0.025 0.000 1.242 3 Y CA -1.318 56.796 58.100 0.023 0.000 1.059 3 Y CB 0.535 39.008 38.460 0.021 0.000 1.306 3 Y HN 0.781 nan 8.280 nan 0.000 0.454 4 K N 1.368 121.791 120.400 0.039 0.000 2.375 4 K HA 0.814 5.131 4.320 -0.004 0.000 0.249 4 K C -1.470 175.154 176.600 0.039 0.000 0.942 4 K CA -1.014 55.242 56.287 -0.052 0.000 0.806 4 K CB 3.171 35.667 32.500 -0.006 0.000 1.227 4 K HN 0.821 nan 8.250 nan 0.000 0.430 5 V N -1.576 118.332 119.914 -0.010 0.000 3.178 5 V HA 0.521 4.638 4.120 -0.004 0.000 0.302 5 V C -1.460 174.638 176.094 0.006 0.000 1.262 5 V CA -1.202 61.116 62.300 0.031 0.000 1.030 5 V CB 2.062 33.920 31.823 0.057 0.000 1.074 5 V HN 0.636 nan 8.190 nan 0.000 0.438 6 N N 2.074 120.781 118.700 0.011 0.000 2.455 6 N HA 0.669 5.407 4.740 -0.004 0.000 0.280 6 N C -0.787 174.708 175.510 -0.025 0.000 1.055 6 N CA -0.213 52.846 53.050 0.015 0.000 0.961 6 N CB 1.691 40.194 38.487 0.026 0.000 1.121 6 N HN 0.769 nan 8.380 nan 0.000 0.476 7 I N 2.575 123.119 120.570 -0.043 0.000 2.441 7 I HA 0.343 4.511 4.170 -0.004 0.000 0.295 7 I C -2.192 173.879 176.117 -0.076 0.000 0.994 7 I CA -2.329 58.900 61.300 -0.118 0.000 1.144 7 I CB 2.130 39.983 38.000 -0.246 0.000 1.314 7 I HN 0.121 nan 8.210 nan 0.000 0.445 8 P HA 0.071 nan 4.420 nan 0.000 0.268 8 P C -0.247 177.024 177.300 -0.048 0.000 1.205 8 P CA 0.043 63.117 63.100 -0.042 0.000 0.771 8 P CB 0.835 32.516 31.700 -0.032 0.000 0.858 9 A N 2.286 125.078 122.820 -0.047 0.000 2.671 9 A HA 0.597 4.914 4.320 -0.004 0.000 0.265 9 A C 0.781 178.325 177.584 -0.066 0.000 1.148 9 A CA 0.431 52.426 52.037 -0.070 0.000 0.977 9 A CB -0.554 18.376 19.000 -0.117 0.000 1.242 9 A HN 0.772 nan 8.150 nan 0.000 0.591 10 G N 0.507 109.278 108.800 -0.049 0.000 2.782 10 G HA2 -0.104 3.854 3.960 -0.004 0.000 0.228 10 G HA3 -0.104 3.854 3.960 -0.004 0.000 0.228 10 G C -2.965 171.879 174.900 -0.093 0.000 1.372 10 G CA -0.367 44.704 45.100 -0.048 0.000 0.862 10 G HN 0.408 nan 8.290 nan 0.000 0.547 11 P HA 0.423 nan 4.420 nan 0.000 0.271 11 P C -0.278 176.800 177.300 -0.371 0.000 1.216 11 P CA 0.092 63.000 63.100 -0.319 0.000 0.771 11 P CB 0.776 32.231 31.700 -0.409 0.000 0.864 12 L N 3.679 124.651 121.223 -0.417 0.000 2.349 12 L HA 0.340 4.677 4.340 -0.004 0.000 0.278 12 L C 0.515 177.191 176.870 -0.323 0.000 0.996 12 L CA -0.512 54.111 54.840 -0.362 0.000 0.825 12 L CB 1.687 43.442 42.059 -0.508 0.000 1.243 12 L HN 0.459 nan 8.230 nan 0.000 0.412 13 W N 1.340 122.613 121.300 -0.045 0.000 3.077 13 W HA 0.120 4.778 4.660 -0.003 0.000 0.266 13 W C 0.979 177.553 176.519 0.092 0.000 1.300 13 W CA -0.108 57.266 57.345 0.047 0.000 1.586 13 W CB 0.448 29.917 29.460 0.016 0.000 1.103 13 W HN 0.554 nan 8.180 nan 0.000 0.652 14 S N -1.845 113.968 115.700 0.189 0.000 2.588 14 S HA 0.177 4.645 4.470 -0.004 0.000 0.269 14 S C 0.280 174.936 174.600 0.094 0.000 1.157 14 S CA -0.733 57.597 58.200 0.215 0.000 0.824 14 S CB 1.071 64.365 63.200 0.157 0.000 1.126 14 S HN 0.118 nan 8.310 nan 0.000 0.464 15 N N 0.507 119.389 118.700 0.304 0.000 2.166 15 N HA -0.149 4.589 4.740 -0.004 0.000 0.186 15 N C 1.851 177.388 175.510 0.045 0.000 1.019 15 N CA 1.360 54.591 53.050 0.303 0.000 0.856 15 N CB -0.392 38.319 38.487 0.374 0.000 0.993 15 N HN 0.745 nan 8.380 nan 0.000 0.426 16 A N 1.224 124.073 122.820 0.049 0.000 1.908 16 A HA -0.207 4.111 4.320 -0.004 0.000 0.218 16 A C 2.066 179.613 177.584 -0.061 0.000 1.181 16 A CA 1.572 53.615 52.037 0.010 0.000 0.627 16 A CB -0.726 18.289 19.000 0.025 0.000 0.818 16 A HN 0.561 nan 8.150 nan 0.000 0.445 17 E N -0.291 119.848 120.200 -0.101 0.000 2.047 17 E HA -0.106 4.242 4.350 -0.004 0.000 0.191 17 E C 2.196 178.617 176.600 -0.297 0.000 0.987 17 E CA 0.962 57.270 56.400 -0.153 0.000 0.799 17 E CB -0.267 29.370 29.700 -0.106 0.000 0.752 17 E HN 0.526 nan 8.360 nan 0.000 0.449 18 A N 1.009 123.510 122.820 -0.531 0.000 1.940 18 A HA -0.224 4.094 4.320 -0.004 0.000 0.219 18 A C 2.095 179.427 177.584 -0.419 0.000 1.176 18 A CA 1.480 53.058 52.037 -0.764 0.000 0.631 18 A CB -0.459 17.533 19.000 -1.680 0.000 0.814 18 A HN 0.270 nan 8.150 nan 0.000 0.446 19 Q N -0.770 118.942 119.800 -0.148 0.000 2.291 19 Q HA -0.180 4.158 4.340 -0.004 0.000 0.205 19 Q C 2.005 177.982 176.000 -0.038 0.000 0.970 19 Q CA 1.699 57.539 55.803 0.061 0.000 0.876 19 Q CB -0.293 28.511 28.738 0.109 0.000 0.935 19 Q HN 0.964 nan 8.270 nan 0.000 0.455 20 Q N -0.136 119.595 119.800 -0.115 0.000 2.204 20 Q HA -0.023 4.315 4.340 -0.004 0.000 0.198 20 Q C 1.781 177.682 176.000 -0.164 0.000 0.946 20 Q CA 0.712 56.453 55.803 -0.103 0.000 0.859 20 Q CB 0.442 29.131 28.738 -0.083 0.000 0.946 20 Q HN 0.133 nan 8.270 nan 0.000 0.474 21 V N 0.438 120.203 119.914 -0.248 0.000 2.446 21 V HA -0.021 4.097 4.120 -0.004 0.000 0.244 21 V C 2.318 178.165 176.094 -0.411 0.000 1.039 21 V CA 1.521 63.654 62.300 -0.279 0.000 1.045 21 V CB -0.884 30.776 31.823 -0.272 0.000 0.681 21 V HN 0.607 nan 8.190 nan 0.000 0.459 22 G N 1.221 109.579 108.800 -0.738 0.000 2.513 22 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.219 22 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.219 22 G C -0.254 174.223 174.900 -0.705 0.000 1.160 22 G CA 1.359 45.672 45.100 -1.312 0.000 0.767 22 G HN 0.490 nan 8.290 nan 0.000 0.571 23 P HA -0.029 nan 4.420 nan 0.000 0.218 23 P C 1.929 179.185 177.300 -0.072 0.000 1.149 23 P CA 1.127 64.195 63.100 -0.053 0.000 0.817 23 P CB 0.106 31.818 31.700 0.021 0.000 0.785 24 K N -0.714 119.614 120.400 -0.119 0.000 2.062 24 K HA -0.013 4.304 4.320 -0.004 0.000 0.205 24 K C 1.961 178.516 176.600 -0.075 0.000 1.051 24 K CA 1.051 57.282 56.287 -0.093 0.000 0.941 24 K CB -1.024 31.415 32.500 -0.102 0.000 0.719 24 K HN 0.160 nan 8.250 nan 0.000 0.440 25 I N 1.272 121.786 120.570 -0.094 0.000 2.179 25 I HA -0.186 3.981 4.170 -0.004 0.000 0.242 25 I C 2.406 178.570 176.117 0.078 0.000 1.088 25 I CA 1.133 62.427 61.300 -0.010 0.000 1.357 25 I CB -1.463 36.490 38.000 -0.079 0.000 1.051 25 I HN -0.006 nan 8.210 nan 0.000 0.409 26 A N 1.082 123.913 122.820 0.018 0.000 1.908 26 A HA -0.170 4.147 4.320 -0.004 0.000 0.218 26 A C 2.564 180.187 177.584 0.065 0.000 1.181 26 A CA 2.242 54.324 52.037 0.075 0.000 0.627 26 A CB -0.840 18.222 19.000 0.104 0.000 0.818 26 A HN 0.429 nan 8.150 nan 0.000 0.445 27 A N -0.397 122.430 122.820 0.012 0.000 1.972 27 A HA 0.196 4.514 4.320 -0.004 0.000 0.219 27 A C 2.416 179.948 177.584 -0.088 0.000 1.169 27 A CA 1.899 53.918 52.037 -0.030 0.000 0.635 27 A CB -0.834 18.134 19.000 -0.053 0.000 0.810 27 A HN 1.085 nan 8.150 nan 0.000 0.446 28 A N -1.672 121.088 122.820 -0.100 0.000 2.015 28 A HA -0.099 4.218 4.320 -0.004 0.000 0.219 28 A C 1.663 179.014 177.584 -0.388 0.000 1.163 28 A CA 1.141 53.027 52.037 -0.252 0.000 0.646 28 A CB -0.580 18.277 19.000 -0.237 0.000 0.806 28 A HN 0.657 nan 8.150 nan 0.000 0.448 29 H N -0.819 118.222 119.070 -0.049 0.000 2.505 29 H HA 0.194 4.748 4.556 -0.004 0.000 0.286 29 H C -0.240 175.101 175.328 0.022 0.000 1.072 29 H CA 0.280 56.330 56.048 0.003 0.000 1.141 29 H CB 0.037 29.810 29.762 0.018 0.000 1.550 29 H HN 0.636 nan 8.280 nan 0.000 0.547 30 Q N -0.127 119.702 119.800 0.048 0.000 2.457 30 Q HA -0.153 4.185 4.340 -0.004 0.000 0.283 30 Q C 0.491 176.535 176.000 0.074 0.000 1.234 30 Q CA 0.629 56.470 55.803 0.063 0.000 0.877 30 Q CB -1.230 27.573 28.738 0.107 0.000 1.250 30 Q HN 0.636 nan 8.270 nan 0.000 0.481 31 G N -0.345 108.496 108.800 0.068 0.000 3.176 31 G HA2 0.641 4.599 3.960 -0.004 0.000 0.272 31 G HA3 0.641 4.599 3.960 -0.004 0.000 0.272 31 G C -0.925 174.007 174.900 0.054 0.000 1.349 31 G CA -0.603 44.524 45.100 0.045 0.000 0.953 31 G HN 0.077 nan 8.290 nan 0.000 0.559 32 N N -0.260 118.470 118.700 0.051 0.000 2.346 32 N HA 0.305 5.043 4.740 -0.004 0.000 0.289 32 N C -1.594 173.993 175.510 0.128 0.000 1.027 32 N CA -0.451 52.645 53.050 0.077 0.000 0.864 32 N CB 2.500 41.011 38.487 0.041 0.000 1.370 32 N HN 0.317 nan 8.380 nan 0.000 0.481 33 F N 2.352 122.299 119.950 -0.005 0.000 2.495 33 F HA 0.100 4.624 4.527 -0.004 0.000 0.365 33 F C 1.827 177.634 175.800 0.011 0.000 1.090 33 F CA -0.191 57.810 58.000 0.001 0.000 1.235 33 F CB 0.632 39.631 39.000 -0.001 0.000 1.119 33 F HN 0.489 nan 8.300 nan 0.000 0.562 34 T N 1.526 115.794 114.554 -0.476 0.000 3.100 34 T HA 0.302 4.650 4.350 -0.004 0.000 0.253 34 T C 1.455 175.724 174.700 -0.719 0.000 1.118 34 T CA 0.508 62.337 62.100 -0.452 0.000 1.058 34 T CB -0.326 68.400 68.868 -0.236 0.000 0.953 34 T HN 1.404 nan 8.240 nan 0.000 0.515 35 G N 0.595 108.368 108.800 -1.712 0.000 2.234 35 G HA2 -0.195 3.762 3.960 -0.004 0.000 0.235 35 G HA3 -0.195 3.762 3.960 -0.004 0.000 0.235 35 G C -0.026 174.641 174.900 -0.389 0.000 0.997 35 G CA -0.231 44.209 45.100 -1.100 0.000 0.623 35 G HN 0.604 nan 8.290 nan 0.000 0.514 36 Q N 0.380 120.002 119.800 -0.298 0.000 2.243 36 Q HA 0.583 4.920 4.340 -0.004 0.000 0.252 36 Q C 0.170 176.381 176.000 0.351 0.000 0.909 36 Q CA -0.187 55.645 55.803 0.049 0.000 0.922 36 Q CB 1.499 30.212 28.738 -0.043 0.000 1.215 36 Q HN 0.776 nan 8.270 nan 0.000 0.427 37 W N 0.206 121.575 121.300 0.115 0.000 3.074 37 W HA 0.646 5.304 4.660 -0.004 0.000 0.332 37 W C -1.600 174.947 176.519 0.047 0.000 1.253 37 W CA -0.903 56.520 57.345 0.130 0.000 1.180 37 W CB 0.731 30.302 29.460 0.185 0.000 1.445 37 W HN 0.339 nan 8.180 nan 0.000 0.573 38 T N 1.176 115.739 114.554 0.015 0.000 2.952 38 T HA 0.321 4.669 4.350 -0.004 0.000 0.305 38 T C -0.832 173.854 174.700 -0.024 0.000 1.064 38 T CA -0.431 61.550 62.100 -0.197 0.000 1.008 38 T CB 2.135 70.933 68.868 -0.116 0.000 1.078 38 T HN 0.355 nan 8.240 nan 0.000 0.459 39 T N 2.569 117.058 114.554 -0.108 0.000 2.749 39 T HA 0.306 4.654 4.350 -0.004 0.000 0.295 39 T C 1.621 176.291 174.700 -0.051 0.000 0.936 39 T CA -0.349 61.743 62.100 -0.013 0.000 1.060 39 T CB 0.545 69.394 68.868 -0.031 0.000 0.904 39 T HN 0.574 nan 8.240 nan 0.000 0.500 40 V N 2.274 122.168 119.914 -0.034 0.000 3.431 40 V HA 0.390 4.507 4.120 -0.004 0.000 0.253 40 V C 0.380 176.450 176.094 -0.039 0.000 1.184 40 V CA 0.114 62.392 62.300 -0.037 0.000 1.104 40 V CB 0.202 32.011 31.823 -0.024 0.000 0.799 40 V HN 0.501 nan 8.190 nan 0.000 0.462 41 V N 2.095 121.980 119.914 -0.049 0.000 2.462 41 V HA 0.432 4.550 4.120 -0.004 0.000 0.288 41 V C -0.483 175.568 176.094 -0.072 0.000 1.020 41 V CA -0.660 61.612 62.300 -0.047 0.000 0.857 41 V CB 1.392 33.193 31.823 -0.037 0.000 1.013 41 V HN 0.325 nan 8.190 nan 0.000 0.431 42 E N 3.259 123.423 120.200 -0.059 0.000 2.652 42 E HA -0.001 4.347 4.350 -0.004 0.000 0.255 42 E C 1.214 177.764 176.600 -0.083 0.000 0.952 42 E CA 1.163 57.521 56.400 -0.071 0.000 0.947 42 E CB 0.430 30.117 29.700 -0.021 0.000 0.912 42 E HN 1.217 nan 8.360 nan 0.000 0.489 43 S N 1.263 116.836 115.700 -0.212 0.000 3.127 43 S HA -0.305 4.162 4.470 -0.004 0.000 0.281 43 S C 0.769 175.277 174.600 -0.154 0.000 1.293 43 S CA 1.517 59.580 58.200 -0.229 0.000 1.156 43 S CB -1.566 61.727 63.200 0.155 0.000 1.389 43 S HN 0.784 nan 8.310 nan 0.000 0.672 44 A N -0.622 122.101 122.820 -0.162 0.000 2.141 44 A HA 0.768 5.085 4.320 -0.004 0.000 0.196 44 A C 0.282 177.810 177.584 -0.094 0.000 1.502 44 A CA 0.918 52.907 52.037 -0.079 0.000 1.075 44 A CB 0.591 19.576 19.000 -0.024 0.000 1.217 44 A HN 1.349 nan 8.150 nan 0.000 0.477 45 M N 0.031 119.561 119.600 -0.117 0.000 2.325 45 M HA 0.625 5.102 4.480 -0.004 0.000 0.285 45 M C -1.963 174.296 176.300 -0.068 0.000 1.119 45 M CA -0.110 55.141 55.300 -0.082 0.000 0.959 45 M CB 2.036 34.610 32.600 -0.044 0.000 1.737 45 M HN -0.009 nan 8.290 nan 0.000 0.486 46 S N 2.127 117.803 115.700 -0.039 0.000 2.599 46 S HA 0.966 5.434 4.470 -0.004 0.000 0.287 46 S C -1.289 173.347 174.600 0.059 0.000 1.105 46 S CA -0.712 57.520 58.200 0.053 0.000 0.899 46 S CB 2.062 65.344 63.200 0.137 0.000 1.100 46 S HN 1.016 nan 8.310 nan 0.000 0.482 47 V N -0.484 119.500 119.914 0.117 0.000 2.914 47 V HA 0.976 5.094 4.120 -0.004 0.000 0.314 47 V C -0.524 175.676 176.094 0.177 0.000 1.084 47 V CA -0.972 61.380 62.300 0.086 0.000 0.963 47 V CB 1.317 33.168 31.823 0.047 0.000 1.025 47 V HN 0.801 nan 8.190 nan 0.000 0.432 48 V N -0.039 119.952 119.914 0.129 0.000 2.555 48 V HA 0.652 4.770 4.120 -0.004 0.000 0.302 48 V C -0.148 176.090 176.094 0.240 0.000 1.038 48 V CA -0.592 61.858 62.300 0.250 0.000 0.887 48 V CB 1.503 33.342 31.823 0.026 0.000 0.991 48 V HN 1.148 nan 8.190 nan 0.000 0.434 49 E N 2.806 123.204 120.200 0.331 0.000 2.257 49 E HA 0.491 4.839 4.350 -0.004 0.000 0.278 49 E C -1.213 175.507 176.600 0.200 0.000 1.049 49 E CA -0.332 56.176 56.400 0.179 0.000 0.876 49 E CB 1.365 31.122 29.700 0.094 0.000 1.035 49 E HN 0.719 nan 8.360 nan 0.000 0.419 50 V N 4.964 124.933 119.914 0.092 0.000 2.487 50 V HA 0.192 4.310 4.120 -0.004 0.000 0.298 50 V C -0.213 175.855 176.094 -0.043 0.000 1.028 50 V CA -0.787 61.552 62.300 0.065 0.000 0.860 50 V CB 1.661 33.505 31.823 0.035 0.000 0.991 50 V HN 0.737 nan 8.190 nan 0.000 0.427 51 E N 4.548 124.721 120.200 -0.045 0.000 2.194 51 E HA 0.554 4.902 4.350 -0.004 0.000 0.284 51 E C -1.289 175.216 176.600 -0.158 0.000 1.035 51 E CA -0.353 55.978 56.400 -0.114 0.000 0.836 51 E CB 0.886 30.551 29.700 -0.059 0.000 1.070 51 E HN 0.560 nan 8.360 nan 0.000 0.401 52 L N 3.062 124.071 121.223 -0.358 0.000 2.322 52 L HA 0.371 4.709 4.340 -0.004 0.000 0.269 52 L C -0.018 176.721 176.870 -0.219 0.000 1.012 52 L CA -1.232 53.408 54.840 -0.334 0.000 0.815 52 L CB 1.777 43.507 42.059 -0.549 0.000 1.295 52 L HN 0.449 nan 8.230 nan 0.000 0.438 53 Q N 0.532 120.327 119.800 -0.009 0.000 2.243 53 Q HA 0.199 4.536 4.340 -0.004 0.000 0.252 53 Q C 0.892 177.046 176.000 0.256 0.000 0.909 53 Q CA -0.291 55.579 55.803 0.112 0.000 0.922 53 Q CB 2.169 30.971 28.738 0.106 0.000 1.215 53 Q HN 0.457 nan 8.270 nan 0.000 0.427 54 V N 1.282 121.375 119.914 0.299 0.000 2.332 54 V HA -0.192 3.926 4.120 -0.004 0.000 0.248 54 V C 0.948 177.158 176.094 0.192 0.000 1.055 54 V CA 1.832 64.300 62.300 0.281 0.000 1.038 54 V CB -0.158 31.754 31.823 0.149 0.000 0.651 54 V HN 0.728 nan 8.190 nan 0.000 0.450 55 E N 0.496 120.787 120.200 0.152 0.000 2.224 55 E HA 0.237 4.585 4.350 -0.004 0.000 0.265 55 E C -1.032 175.645 176.600 0.130 0.000 0.878 55 E CA -0.670 55.806 56.400 0.127 0.000 0.759 55 E CB 1.078 30.834 29.700 0.093 0.000 1.164 55 E HN 0.315 nan 8.360 nan 0.000 0.414 56 N N 2.861 121.649 118.700 0.146 0.000 2.472 56 N HA 0.222 4.959 4.740 -0.004 0.000 0.277 56 N C -0.507 175.082 175.510 0.131 0.000 1.081 56 N CA 0.057 53.200 53.050 0.154 0.000 0.973 56 N CB 1.750 40.359 38.487 0.203 0.000 1.105 56 N HN 0.588 nan 8.380 nan 0.000 0.470 57 T N -1.527 113.095 114.554 0.113 0.000 2.916 57 T HA 0.912 5.260 4.350 -0.004 0.000 0.292 57 T C 0.289 175.036 174.700 0.077 0.000 1.064 57 T CA -0.851 61.297 62.100 0.081 0.000 1.011 57 T CB 2.331 71.235 68.868 0.060 0.000 1.152 57 T HN 0.575 nan 8.240 nan 0.000 0.510 58 G N -0.190 108.629 108.800 0.032 0.000 2.341 58 G HA2 0.344 4.302 3.960 -0.004 0.000 0.293 58 G HA3 0.344 4.302 3.960 -0.004 0.000 0.293 58 G C -0.089 174.760 174.900 -0.085 0.000 1.298 58 G CA -0.303 44.799 45.100 0.004 0.000 0.868 58 G HN 1.407 nan 8.290 nan 0.000 0.540 59 I N -2.077 118.383 120.570 -0.183 0.000 3.956 59 I HA 0.478 4.645 4.170 -0.004 0.000 0.333 59 I C 0.277 176.060 176.117 -0.557 0.000 1.302 59 I CA -0.264 60.832 61.300 -0.340 0.000 1.122 59 I CB -0.102 37.672 38.000 -0.377 0.000 1.013 59 I HN 0.296 nan 8.210 nan 0.000 0.405 60 H N 1.481 120.321 119.070 -0.382 0.000 2.670 60 H HA 0.731 5.284 4.556 -0.004 0.000 0.361 60 H C -0.835 174.141 175.328 -0.587 0.000 1.169 60 H CA -0.659 55.038 56.048 -0.585 0.000 1.198 60 H CB 1.483 30.596 29.762 -1.081 0.000 1.700 60 H HN 0.266 nan 8.280 nan 0.000 0.542 61 E N 0.697 120.799 120.200 -0.164 0.000 2.413 61 E HA 0.535 4.882 4.350 -0.004 0.000 0.277 61 E C -1.838 175.001 176.600 0.397 0.000 0.958 61 E CA -1.085 55.379 56.400 0.106 0.000 0.779 61 E CB 2.067 31.812 29.700 0.076 0.000 1.278 61 E HN 0.397 nan 8.360 nan 0.000 0.456 62 F N 0.694 120.851 119.950 0.344 0.000 2.588 62 F HA 0.553 5.078 4.527 -0.004 0.000 0.318 62 F C -1.473 174.493 175.800 0.277 0.000 1.155 62 F CA -0.580 57.613 58.000 0.323 0.000 0.967 62 F CB 1.763 40.997 39.000 0.390 0.000 1.236 62 F HN 0.485 nan 8.300 nan 0.000 0.455 63 K N 3.577 123.623 120.400 -0.589 0.000 2.156 63 K HA 0.761 5.079 4.320 -0.004 0.000 0.254 63 K C -0.828 175.322 176.600 -0.751 0.000 0.950 63 K CA -0.865 55.132 56.287 -0.483 0.000 0.849 63 K CB 2.197 34.540 32.500 -0.261 0.000 1.100 63 K HN 0.735 nan 8.250 nan 0.000 0.434 64 T N 0.389 114.704 114.554 -0.399 0.000 2.733 64 T HA 0.182 4.529 4.350 -0.004 0.000 0.312 64 T C -1.964 172.655 174.700 -0.134 0.000 1.590 64 T CA -0.849 61.101 62.100 -0.251 0.000 1.005 64 T CB 1.244 70.048 68.868 -0.107 0.000 1.528 64 T HN 0.436 nan 8.240 nan 0.000 0.496 65 D N 1.438 121.794 120.400 -0.075 0.000 2.168 65 D HA 0.613 5.251 4.640 -0.004 0.000 0.246 65 D C -0.059 176.194 176.300 -0.077 0.000 1.050 65 D CA -0.059 53.903 54.000 -0.064 0.000 0.857 65 D CB 1.751 42.535 40.800 -0.027 0.000 1.169 65 D HN 0.604 nan 8.370 nan 0.000 0.453 66 V N -1.358 118.468 119.914 -0.148 0.000 3.130 66 V HA 0.532 4.650 4.120 -0.004 0.000 0.310 66 V C -0.102 175.934 176.094 -0.096 0.000 1.158 66 V CA -1.214 60.966 62.300 -0.201 0.000 1.029 66 V CB 1.345 32.752 31.823 -0.694 0.000 1.057 66 V HN 0.387 nan 8.190 nan 0.000 0.436 67 L N 1.998 123.246 121.223 0.041 0.000 2.525 67 L HA 0.442 4.779 4.340 -0.004 0.000 0.278 67 L C 1.142 178.088 176.870 0.127 0.000 1.218 67 L CA 0.711 55.611 54.840 0.100 0.000 0.878 67 L CB 0.832 42.976 42.059 0.142 0.000 1.127 67 L HN 1.018 nan 8.230 nan 0.000 0.492 68 A N 2.308 125.167 122.820 0.066 0.000 2.508 68 A HA 0.552 4.869 4.320 -0.004 0.000 0.250 68 A C 0.780 178.363 177.584 -0.003 0.000 1.208 68 A CA 0.293 52.350 52.037 0.034 0.000 0.960 68 A CB 0.185 19.168 19.000 -0.028 0.000 1.099 68 A HN 1.033 nan 8.150 nan 0.000 0.542 69 G N 0.323 109.128 108.800 0.008 0.000 2.829 69 G HA2 -0.094 3.864 3.960 -0.004 0.000 0.628 69 G HA3 -0.094 3.864 3.960 -0.004 0.000 0.628 69 G C -3.100 171.756 174.900 -0.073 0.000 1.412 69 G CA -0.379 44.711 45.100 -0.018 0.000 0.864 69 G HN 0.343 nan 8.290 nan 0.000 0.544 70 P HA 0.470 nan 4.420 nan 0.000 0.281 70 P C -0.286 176.794 177.300 -0.366 0.000 1.252 70 P CA -0.077 62.855 63.100 -0.279 0.000 0.778 70 P CB 0.843 32.342 31.700 -0.334 0.000 0.895 71 L N 3.851 124.829 121.223 -0.408 0.000 2.325 71 L HA 0.367 4.705 4.340 -0.004 0.000 0.281 71 L C 0.688 177.331 176.870 -0.379 0.000 1.004 71 L CA -0.589 54.019 54.840 -0.387 0.000 0.823 71 L CB 1.586 43.333 42.059 -0.520 0.000 1.236 71 L HN 0.431 nan 8.230 nan 0.000 0.415 72 W N 1.250 122.517 121.300 -0.056 0.000 2.863 72 W HA 0.076 4.735 4.660 -0.003 0.000 0.258 72 W C 1.034 177.598 176.519 0.075 0.000 1.298 72 W CA -0.019 57.344 57.345 0.029 0.000 1.451 72 W CB 0.287 29.753 29.460 0.010 0.000 1.107 72 W HN 0.577 nan 8.180 nan 0.000 0.641 73 S N -1.707 114.093 115.700 0.166 0.000 2.615 73 S HA 0.214 4.682 4.470 -0.004 0.000 0.269 73 S C 0.152 174.810 174.600 0.097 0.000 1.161 73 S CA -0.538 57.785 58.200 0.204 0.000 0.817 73 S CB 1.278 64.574 63.200 0.160 0.000 1.131 73 S HN -0.031 nan 8.310 nan 0.000 0.467 74 N N 0.759 119.650 118.700 0.318 0.000 2.188 74 N HA -0.094 4.643 4.740 -0.004 0.000 0.184 74 N C 0.957 176.513 175.510 0.076 0.000 1.018 74 N CA 2.074 55.327 53.050 0.337 0.000 0.858 74 N CB -0.307 38.429 38.487 0.416 0.000 0.989 74 N HN 0.610 nan 8.380 nan 0.000 0.426 75 D N 0.154 120.593 120.400 0.065 0.000 2.117 75 D HA -0.178 4.460 4.640 -0.004 0.000 0.197 75 D C 1.590 177.864 176.300 -0.045 0.000 0.987 75 D CA 0.853 54.867 54.000 0.023 0.000 0.829 75 D CB -0.278 40.543 40.800 0.035 0.000 0.961 75 D HN 0.594 nan 8.370 nan 0.000 0.460 76 E N 0.770 120.921 120.200 -0.080 0.000 2.072 76 E HA -0.127 4.221 4.350 -0.004 0.000 0.191 76 E C 2.034 178.469 176.600 -0.275 0.000 0.985 76 E CA 0.982 57.303 56.400 -0.131 0.000 0.801 76 E CB 0.020 29.671 29.700 -0.082 0.000 0.750 76 E HN 0.127 nan 8.360 nan 0.000 0.452 77 A N 0.935 123.459 122.820 -0.493 0.000 1.908 77 A HA -0.216 4.101 4.320 -0.004 0.000 0.218 77 A C 2.170 179.491 177.584 -0.440 0.000 1.181 77 A CA 1.514 53.086 52.037 -0.775 0.000 0.627 77 A CB -0.468 17.465 19.000 -1.778 0.000 0.818 77 A HN 0.275 nan 8.150 nan 0.000 0.445 78 Q N -0.494 119.215 119.800 -0.153 0.000 2.172 78 Q HA -0.102 4.236 4.340 -0.004 0.000 0.200 78 Q C 1.985 177.981 176.000 -0.006 0.000 0.964 78 Q CA 1.641 57.491 55.803 0.079 0.000 0.855 78 Q CB -0.292 28.521 28.738 0.125 0.000 0.918 78 Q HN 0.823 nan 8.270 nan 0.000 0.444 79 K N 0.375 120.727 120.400 -0.079 0.000 2.076 79 K HA 0.004 4.322 4.320 -0.004 0.000 0.204 79 K C 1.952 178.481 176.600 -0.118 0.000 1.051 79 K CA 0.531 56.776 56.287 -0.069 0.000 0.949 79 K CB 0.150 32.615 32.500 -0.059 0.000 0.726 79 K HN 0.127 nan 8.250 nan 0.000 0.443 80 L N -0.155 120.949 121.223 -0.199 0.000 2.307 80 L HA 0.085 4.423 4.340 -0.004 0.000 0.211 80 L C 2.436 179.101 176.870 -0.342 0.000 1.099 80 L CA 0.565 55.272 54.840 -0.222 0.000 0.816 80 L CB -0.516 41.415 42.059 -0.213 0.000 0.952 80 L HN 0.361 nan 8.230 nan 0.000 0.455 81 G N 1.825 110.255 108.800 -0.616 0.000 2.649 81 G HA2 -0.270 3.688 3.960 -0.004 0.000 0.220 81 G HA3 -0.270 3.688 3.960 -0.004 0.000 0.220 81 G C -0.690 173.829 174.900 -0.635 0.000 1.189 81 G CA 1.144 45.494 45.100 -1.249 0.000 0.777 81 G HN 0.297 nan 8.290 nan 0.000 0.602 82 P HA -0.088 nan 4.420 nan 0.000 0.216 82 P C 1.953 179.244 177.300 -0.016 0.000 1.150 82 P CA 1.516 64.628 63.100 0.020 0.000 0.843 82 P CB -0.063 31.677 31.700 0.067 0.000 0.787 83 Q N -1.141 118.621 119.800 -0.063 0.000 2.083 83 Q HA -0.040 4.297 4.340 -0.004 0.000 0.198 83 Q C 2.205 178.192 176.000 -0.022 0.000 0.969 83 Q CA 0.998 56.779 55.803 -0.038 0.000 0.838 83 Q CB -0.464 28.243 28.738 -0.052 0.000 0.900 83 Q HN 0.280 nan 8.270 nan 0.000 0.436 84 I N 0.776 121.309 120.570 -0.060 0.000 2.226 84 I HA -0.265 3.903 4.170 -0.004 0.000 0.245 84 I C 2.433 178.635 176.117 0.141 0.000 1.100 84 I CA 0.930 62.237 61.300 0.012 0.000 1.374 84 I CB -0.413 37.554 38.000 -0.055 0.000 1.057 84 I HN 0.161 nan 8.210 nan 0.000 0.413 85 A N 0.867 123.725 122.820 0.063 0.000 1.908 85 A HA -0.198 4.120 4.320 -0.004 0.000 0.218 85 A C 2.529 180.214 177.584 0.168 0.000 1.181 85 A CA 1.922 54.034 52.037 0.125 0.000 0.627 85 A CB -0.834 18.232 19.000 0.109 0.000 0.818 85 A HN 0.445 nan 8.150 nan 0.000 0.445 86 A N 0.275 123.163 122.820 0.112 0.000 2.019 86 A HA -0.068 4.250 4.320 -0.004 0.000 0.219 86 A C 2.369 180.027 177.584 0.124 0.000 1.164 86 A CA 2.082 54.185 52.037 0.109 0.000 0.644 86 A CB -0.886 18.150 19.000 0.061 0.000 0.805 86 A HN 1.083 nan 8.150 nan 0.000 0.449 87 S N -2.159 113.602 115.700 0.101 0.000 2.555 87 S HA -0.051 4.416 4.470 -0.004 0.000 0.230 87 S C 1.132 175.701 174.600 -0.052 0.000 0.978 87 S CA 0.841 59.045 58.200 0.008 0.000 0.934 87 S CB -0.593 62.563 63.200 -0.074 0.000 0.766 87 S HN 0.586 nan 8.310 nan 0.000 0.533 88 Y N 1.230 121.590 120.300 0.099 0.000 2.531 88 Y HA 0.437 4.985 4.550 -0.004 0.000 0.249 88 Y C 1.602 177.627 175.900 0.209 0.000 1.168 88 Y CA -0.338 57.854 58.100 0.153 0.000 1.226 88 Y CB 0.350 38.861 38.460 0.084 0.000 1.177 88 Y HN 0.352 nan 8.280 nan 0.000 0.527 89 G N 0.890 109.868 108.800 0.296 0.000 2.272 89 G HA2 -0.033 3.925 3.960 -0.004 0.000 0.280 89 G HA3 -0.033 3.925 3.960 -0.004 0.000 0.280 89 G C 0.036 175.088 174.900 0.254 0.000 1.067 89 G CA 0.309 45.579 45.100 0.282 0.000 0.902 89 G HN 0.681 nan 8.290 nan 0.000 0.500 90 A N -1.145 121.765 122.820 0.151 0.000 2.567 90 A HA 0.906 5.223 4.320 -0.004 0.000 0.289 90 A C -0.379 177.232 177.584 0.045 0.000 1.177 90 A CA -0.564 51.489 52.037 0.026 0.000 0.694 90 A CB 1.103 19.917 19.000 -0.311 0.000 1.292 90 A HN 0.371 nan 8.150 nan 0.000 0.425 91 E N -0.260 119.951 120.200 0.019 0.000 2.202 91 E HA 0.470 4.818 4.350 -0.004 0.000 0.272 91 E C -1.562 175.094 176.600 0.093 0.000 0.951 91 E CA -0.547 55.892 56.400 0.065 0.000 0.813 91 E CB 2.105 31.833 29.700 0.048 0.000 1.151 91 E HN 0.451 nan 8.360 nan 0.000 0.398 92 F N 2.061 121.989 119.950 -0.037 0.000 2.396 92 F HA 0.114 4.639 4.527 -0.004 0.000 0.343 92 F C 1.299 177.083 175.800 -0.026 0.000 1.104 92 F CA -0.373 57.604 58.000 -0.039 0.000 1.161 92 F CB 1.109 40.095 39.000 -0.023 0.000 1.146 92 F HN 0.428 nan 8.300 nan 0.000 0.522 93 T N 1.093 115.354 114.554 -0.488 0.000 3.065 93 T HA 0.331 4.678 4.350 -0.004 0.000 0.252 93 T C 1.353 175.620 174.700 -0.722 0.000 1.099 93 T CA 0.556 62.378 62.100 -0.464 0.000 1.063 93 T CB -0.217 68.493 68.868 -0.263 0.000 0.948 93 T HN 1.418 nan 8.240 nan 0.000 0.506 94 G N 0.602 108.432 108.800 -1.617 0.000 2.238 94 G HA2 -0.168 3.789 3.960 -0.004 0.000 0.217 94 G HA3 -0.168 3.789 3.960 -0.004 0.000 0.217 94 G C -0.059 174.624 174.900 -0.363 0.000 0.996 94 G CA -0.279 44.175 45.100 -1.077 0.000 0.632 94 G HN 0.606 nan 8.290 nan 0.000 0.503 95 Q N 0.225 119.870 119.800 -0.258 0.000 2.235 95 Q HA 0.627 4.965 4.340 -0.004 0.000 0.250 95 Q C 0.248 176.443 176.000 0.325 0.000 0.909 95 Q CA -0.093 55.729 55.803 0.032 0.000 0.910 95 Q CB 1.752 30.456 28.738 -0.057 0.000 1.223 95 Q HN 0.897 nan 8.270 nan 0.000 0.432 96 W N 1.021 122.369 121.300 0.081 0.000 2.982 96 W HA 0.623 5.281 4.660 -0.002 0.000 0.344 96 W C -1.606 174.933 176.519 0.033 0.000 1.215 96 W CA -0.860 56.543 57.345 0.097 0.000 1.182 96 W CB 0.876 30.438 29.460 0.171 0.000 1.437 96 W HN 0.734 nan 8.180 nan 0.000 0.570 97 R N 0.292 120.772 120.500 -0.032 0.000 2.709 97 R HA 0.528 4.866 4.340 -0.004 0.000 0.270 97 R C -1.566 174.737 176.300 0.006 0.000 1.038 97 R CA -0.693 55.172 56.100 -0.391 0.000 0.872 97 R CB 1.420 31.539 30.300 -0.301 0.000 1.259 97 R HN 0.312 nan 8.270 nan 0.000 0.473 98 T N 2.133 116.650 114.554 -0.061 0.000 2.909 98 T HA 0.359 4.707 4.350 -0.004 0.000 0.289 98 T C 1.144 175.827 174.700 -0.028 0.000 1.005 98 T CA -0.518 61.602 62.100 0.033 0.000 1.084 98 T CB 0.803 69.681 68.868 0.018 0.000 0.975 98 T HN 0.631 nan 8.240 nan 0.000 0.509 99 I N -0.407 120.152 120.570 -0.019 0.000 4.312 99 I HA 0.475 4.643 4.170 -0.004 0.000 0.324 99 I C -0.383 175.719 176.117 -0.025 0.000 1.298 99 I CA -0.139 61.148 61.300 -0.023 0.000 1.231 99 I CB 0.761 38.755 38.000 -0.010 0.000 1.152 99 I HN 0.206 nan 8.210 nan 0.000 0.421 100 V N 2.548 122.441 119.914 -0.035 0.000 2.555 100 V HA 0.241 4.358 4.120 -0.004 0.000 0.283 100 V C -0.568 175.489 176.094 -0.062 0.000 1.020 100 V CA -0.473 61.807 62.300 -0.033 0.000 0.883 100 V CB 1.417 33.228 31.823 -0.020 0.000 1.030 100 V HN 0.257 nan 8.190 nan 0.000 0.448 101 E N 3.347 123.515 120.200 -0.054 0.000 2.708 101 E HA 0.267 4.615 4.350 -0.004 0.000 0.260 101 E C 1.415 177.961 176.600 -0.091 0.000 0.937 101 E CA 1.875 58.227 56.400 -0.079 0.000 0.953 101 E CB 0.406 30.103 29.700 -0.004 0.000 0.915 101 E HN 1.204 nan 8.360 nan 0.000 0.487 102 G N 2.294 110.930 108.800 -0.273 0.000 2.189 102 G HA2 -0.298 3.660 3.960 -0.004 0.000 0.267 102 G HA3 -0.298 3.660 3.960 -0.004 0.000 0.267 102 G C 0.718 175.566 174.900 -0.086 0.000 0.975 102 G CA 0.524 45.527 45.100 -0.161 0.000 0.644 102 G HN 0.517 nan 8.290 nan 0.000 0.537 103 V N -1.557 118.284 119.914 -0.122 0.000 3.058 103 V HA 0.691 4.809 4.120 -0.004 0.000 0.233 103 V C 0.350 176.400 176.094 -0.073 0.000 1.255 103 V CA 1.789 64.056 62.300 -0.055 0.000 1.267 103 V CB 0.815 32.628 31.823 -0.016 0.000 1.049 103 V HN 0.468 nan 8.190 nan 0.000 0.486 104 M N 0.339 119.883 119.600 -0.093 0.000 2.414 104 M HA 0.622 5.099 4.480 -0.004 0.000 0.287 104 M C -1.010 175.260 176.300 -0.050 0.000 1.181 104 M CA -0.260 55.003 55.300 -0.061 0.000 0.933 104 M CB 2.180 34.769 32.600 -0.018 0.000 1.732 104 M HN 0.244 nan 8.290 nan 0.000 0.486 105 S N 2.427 118.116 115.700 -0.018 0.000 2.697 105 S HA 1.014 5.482 4.470 -0.004 0.000 0.289 105 S C -0.987 173.660 174.600 0.078 0.000 1.149 105 S CA -0.210 58.027 58.200 0.063 0.000 0.850 105 S CB 1.588 64.877 63.200 0.149 0.000 1.151 105 S HN 1.691 nan 8.310 nan 0.000 0.491 106 V N -1.221 118.775 119.914 0.136 0.000 3.007 106 V HA 0.858 4.976 4.120 -0.004 0.000 0.311 106 V C -0.672 175.527 176.094 0.175 0.000 1.120 106 V CA -1.159 61.200 62.300 0.098 0.000 0.980 106 V CB 1.070 32.924 31.823 0.051 0.000 1.033 106 V HN 1.263 nan 8.190 nan 0.000 0.429 107 I N -0.134 120.503 120.570 0.111 0.000 2.693 107 I HA 0.676 4.843 4.170 -0.004 0.000 0.303 107 I C -0.390 175.809 176.117 0.137 0.000 1.025 107 I CA -0.793 60.640 61.300 0.222 0.000 1.086 107 I CB 2.025 40.098 38.000 0.122 0.000 1.268 107 I HN 0.914 nan 8.210 nan 0.000 0.440 108 Q N 5.476 125.394 119.800 0.198 0.000 2.274 108 Q HA 0.592 4.930 4.340 -0.004 0.000 0.256 108 Q C -0.990 175.029 176.000 0.031 0.000 0.927 108 Q CA -0.671 55.152 55.803 0.033 0.000 0.939 108 Q CB 1.375 30.099 28.738 -0.023 0.000 1.201 108 Q HN 0.765 nan 8.270 nan 0.000 0.426 109 I N 0.041 120.551 120.570 -0.101 0.000 2.797 109 I HA 0.630 4.797 4.170 -0.004 0.000 0.307 109 I C -1.124 174.866 176.117 -0.212 0.000 1.033 109 I CA -1.140 60.069 61.300 -0.152 0.000 1.071 109 I CB 2.031 39.840 38.000 -0.318 0.000 1.255 109 I HN 0.459 nan 8.210 nan 0.000 0.445 110 K N 3.657 123.955 120.400 -0.171 0.000 2.413 110 K HA 0.430 4.748 4.320 -0.004 0.000 0.257 110 K C -1.971 174.611 176.600 -0.030 0.000 0.946 110 K CA -0.525 55.711 56.287 -0.085 0.000 0.823 110 K CB 1.247 33.728 32.500 -0.032 0.000 1.109 110 K HN 0.684 nan 8.250 nan 0.000 0.427 111 Y N 1.435 121.837 120.300 0.169 0.000 2.310 111 Y HA 0.249 4.797 4.550 -0.003 0.000 0.326 111 Y C 0.311 176.385 175.900 0.291 0.000 1.151 111 Y CA -0.223 58.033 58.100 0.261 0.000 1.195 111 Y CB 2.166 40.845 38.460 0.364 0.000 1.210 111 Y HN 0.429 nan 8.280 nan 0.000 0.483 112 T N 5.402 120.214 114.554 0.429 0.000 2.812 112 T HA 0.569 4.917 4.350 -0.004 0.000 0.282 112 T C -1.098 173.798 174.700 0.328 0.000 0.990 112 T CA -0.588 61.666 62.100 0.256 0.000 0.960 112 T CB 0.232 69.184 68.868 0.140 0.000 0.948 112 T HN 0.483 nan 8.240 nan 0.000 0.438 113 F N 0.000 120.059 119.950 0.182 0.000 2.286 113 F HA 0.000 4.524 4.527 -0.004 0.000 0.279 113 F CA 0.000 58.088 58.000 0.147 0.000 1.383 113 F CB 0.000 39.051 39.000 0.084 0.000 1.145 113 F HN 0.000 nan 8.300 nan 0.000 0.574