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 1zhs_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 0.000 177.659 177.584 0.126 0.000 1.274 1 A CA 0.000 52.088 52.037 0.084 0.000 0.836 1 A CB 0.000 19.047 19.000 0.079 0.000 0.831 2 S N -0.245 115.536 115.700 0.134 0.000 2.661 2 S HA 1.002 5.466 4.470 -0.010 0.000 0.285 2 S C -0.747 173.995 174.600 0.237 0.000 1.138 2 S CA -0.178 58.113 58.200 0.152 0.000 0.855 2 S CB 1.709 64.933 63.200 0.040 0.000 1.136 2 S HN 2.145 nan 8.310 nan 0.000 0.484 3 Y N -1.648 118.666 120.300 0.024 0.000 2.670 3 Y HA 0.816 5.359 4.550 -0.010 0.000 0.334 3 Y C -1.465 174.446 175.900 0.018 0.000 1.185 3 Y CA -1.280 56.830 58.100 0.017 0.000 1.053 3 Y CB 0.705 39.175 38.460 0.016 0.000 1.298 3 Y HN 0.766 nan 8.280 nan 0.000 0.459 4 K N 1.553 121.981 120.400 0.047 0.000 2.318 4 K HA 0.812 5.126 4.320 -0.010 0.000 0.249 4 K C -1.401 175.226 176.600 0.045 0.000 0.942 4 K CA -1.035 55.227 56.287 -0.041 0.000 0.808 4 K CB 3.044 35.536 32.500 -0.013 0.000 1.189 4 K HN 0.800 nan 8.250 nan 0.000 0.428 5 V N -1.498 118.414 119.914 -0.003 0.000 3.178 5 V HA 0.509 4.622 4.120 -0.010 0.000 0.302 5 V C -1.371 174.727 176.094 0.007 0.000 1.262 5 V CA -1.218 61.100 62.300 0.031 0.000 1.030 5 V CB 2.044 33.903 31.823 0.061 0.000 1.074 5 V HN 0.624 nan 8.190 nan 0.000 0.438 6 N N 1.785 120.491 118.700 0.011 0.000 2.479 6 N HA 0.685 5.419 4.740 -0.010 0.000 0.285 6 N C -0.845 174.651 175.510 -0.023 0.000 1.075 6 N CA -0.175 52.885 53.050 0.016 0.000 0.967 6 N CB 1.596 40.097 38.487 0.024 0.000 1.137 6 N HN 0.767 nan 8.380 nan 0.000 0.472 7 I N 2.540 123.089 120.570 -0.036 0.000 2.509 7 I HA 0.348 4.512 4.170 -0.010 0.000 0.293 7 I C -2.224 173.852 176.117 -0.068 0.000 1.020 7 I CA -2.320 58.914 61.300 -0.110 0.000 1.088 7 I CB 2.367 40.230 38.000 -0.229 0.000 1.267 7 I HN 0.143 nan 8.210 nan 0.000 0.430 8 P HA 0.080 nan 4.420 nan 0.000 0.269 8 P C -0.250 177.023 177.300 -0.046 0.000 1.209 8 P CA 0.043 63.119 63.100 -0.041 0.000 0.776 8 P CB 0.820 32.501 31.700 -0.032 0.000 0.876 9 A N 1.838 124.625 122.820 -0.054 0.000 2.671 9 A HA 0.592 4.906 4.320 -0.010 0.000 0.265 9 A C 0.736 178.261 177.584 -0.097 0.000 1.148 9 A CA 0.471 52.458 52.037 -0.084 0.000 0.977 9 A CB -0.514 18.406 19.000 -0.134 0.000 1.242 9 A HN 0.785 nan 8.150 nan 0.000 0.591 10 G N 0.455 109.207 108.800 -0.080 0.000 2.760 10 G HA2 -0.083 3.870 3.960 -0.010 0.000 0.246 10 G HA3 -0.083 3.870 3.960 -0.010 0.000 0.246 10 G C -3.005 171.792 174.900 -0.173 0.000 1.359 10 G CA -0.362 44.683 45.100 -0.091 0.000 0.861 10 G HN 0.421 nan 8.290 nan 0.000 0.541 11 P HA 0.431 nan 4.420 nan 0.000 0.271 11 P C -0.271 176.591 177.300 -0.730 0.000 1.216 11 P CA 0.042 62.816 63.100 -0.543 0.000 0.771 11 P CB 0.796 32.057 31.700 -0.732 0.000 0.864 12 L N 3.731 124.549 121.223 -0.676 0.000 2.325 12 L HA 0.349 4.683 4.340 -0.010 0.000 0.281 12 L C 0.664 177.219 176.870 -0.524 0.000 1.004 12 L CA -0.558 53.926 54.840 -0.593 0.000 0.823 12 L CB 1.542 43.245 42.059 -0.593 0.000 1.236 12 L HN 0.468 nan 8.230 nan 0.000 0.415 13 W N 1.557 122.846 121.300 -0.018 0.000 3.139 13 W HA 0.096 4.756 4.660 0.000 0.000 0.260 13 W C 0.881 177.454 176.519 0.090 0.000 1.312 13 W CA -0.169 57.206 57.345 0.049 0.000 1.606 13 W CB 0.305 29.775 29.460 0.016 0.000 1.118 13 W HN 0.566 nan 8.180 nan 0.000 0.675 14 S N -1.832 113.988 115.700 0.200 0.000 2.578 14 S HA 0.118 4.582 4.470 -0.010 0.000 0.272 14 S C 0.260 174.951 174.600 0.151 0.000 1.145 14 S CA -0.754 57.583 58.200 0.227 0.000 0.835 14 S CB 0.942 64.240 63.200 0.164 0.000 1.104 14 S HN 0.141 nan 8.310 nan 0.000 0.458 15 N N 0.788 119.699 118.700 0.353 0.000 2.166 15 N HA -0.174 4.560 4.740 -0.010 0.000 0.186 15 N C 1.820 177.370 175.510 0.067 0.000 1.019 15 N CA 1.483 54.759 53.050 0.378 0.000 0.856 15 N CB -0.415 38.327 38.487 0.424 0.000 0.993 15 N HN 0.756 nan 8.380 nan 0.000 0.426 16 A N 1.295 124.152 122.820 0.062 0.000 1.883 16 A HA -0.215 4.098 4.320 -0.010 0.000 0.217 16 A C 2.085 179.629 177.584 -0.066 0.000 1.186 16 A CA 1.716 53.761 52.037 0.014 0.000 0.624 16 A CB -0.788 18.231 19.000 0.032 0.000 0.822 16 A HN 0.619 nan 8.150 nan 0.000 0.444 17 E N -0.239 119.899 120.200 -0.103 0.000 2.047 17 E HA -0.091 4.253 4.350 -0.010 0.000 0.191 17 E C 2.159 178.563 176.600 -0.328 0.000 0.987 17 E CA 1.011 57.313 56.400 -0.164 0.000 0.799 17 E CB -0.293 29.336 29.700 -0.119 0.000 0.752 17 E HN 0.506 nan 8.360 nan 0.000 0.449 18 A N 1.083 123.560 122.820 -0.572 0.000 1.908 18 A HA -0.225 4.089 4.320 -0.010 0.000 0.218 18 A C 2.151 179.382 177.584 -0.587 0.000 1.181 18 A CA 1.536 53.032 52.037 -0.901 0.000 0.627 18 A CB -0.518 17.230 19.000 -2.087 0.000 0.818 18 A HN 0.287 nan 8.150 nan 0.000 0.445 19 Q N -0.376 119.263 119.800 -0.268 0.000 2.226 19 Q HA -0.172 4.162 4.340 -0.010 0.000 0.204 19 Q C 1.990 177.937 176.000 -0.087 0.000 0.975 19 Q CA 1.628 57.433 55.803 0.003 0.000 0.866 19 Q CB -0.307 28.489 28.738 0.098 0.000 0.915 19 Q HN 0.856 nan 8.270 nan 0.000 0.440 20 Q N -0.773 118.929 119.800 -0.163 0.000 2.250 20 Q HA 0.028 4.362 4.340 -0.010 0.000 0.200 20 Q C 2.051 177.928 176.000 -0.205 0.000 0.941 20 Q CA 0.629 56.349 55.803 -0.138 0.000 0.872 20 Q CB 0.519 29.197 28.738 -0.101 0.000 0.965 20 Q HN 0.123 nan 8.270 nan 0.000 0.480 21 V N 0.209 119.943 119.914 -0.301 0.000 2.725 21 V HA -0.031 4.082 4.120 -0.010 0.000 0.247 21 V C 2.159 177.985 176.094 -0.446 0.000 1.058 21 V CA 1.550 63.661 62.300 -0.315 0.000 1.080 21 V CB -0.702 30.939 31.823 -0.304 0.000 0.713 21 V HN 0.458 nan 8.190 nan 0.000 0.465 22 G N 1.356 109.687 108.800 -0.783 0.000 2.513 22 G HA2 -0.230 3.724 3.960 -0.010 0.000 0.219 22 G HA3 -0.230 3.724 3.960 -0.010 0.000 0.219 22 G C -0.238 174.222 174.900 -0.733 0.000 1.160 22 G CA 1.295 45.591 45.100 -1.341 0.000 0.767 22 G HN 0.486 nan 8.290 nan 0.000 0.571 23 P HA -0.042 nan 4.420 nan 0.000 0.218 23 P C 1.885 179.133 177.300 -0.087 0.000 1.149 23 P CA 1.166 64.223 63.100 -0.071 0.000 0.817 23 P CB 0.101 31.799 31.700 -0.004 0.000 0.785 24 K N -0.826 119.490 120.400 -0.140 0.000 2.103 24 K HA -0.005 4.309 4.320 -0.010 0.000 0.204 24 K C 1.936 178.481 176.600 -0.092 0.000 1.052 24 K CA 1.014 57.234 56.287 -0.111 0.000 0.945 24 K CB -0.973 31.454 32.500 -0.121 0.000 0.722 24 K HN 0.175 nan 8.250 nan 0.000 0.443 25 I N 1.231 121.735 120.570 -0.110 0.000 2.252 25 I HA -0.157 4.006 4.170 -0.010 0.000 0.245 25 I C 2.386 178.547 176.117 0.073 0.000 1.102 25 I CA 1.010 62.296 61.300 -0.023 0.000 1.385 25 I CB -1.427 36.526 38.000 -0.078 0.000 1.064 25 I HN -0.014 nan 8.210 nan 0.000 0.414 26 A N 1.107 123.941 122.820 0.024 0.000 1.883 26 A HA -0.169 4.144 4.320 -0.010 0.000 0.217 26 A C 2.588 180.206 177.584 0.057 0.000 1.186 26 A CA 2.240 54.324 52.037 0.079 0.000 0.624 26 A CB -0.890 18.174 19.000 0.107 0.000 0.822 26 A HN 0.411 nan 8.150 nan 0.000 0.444 27 A N -0.206 122.615 122.820 0.002 0.000 1.940 27 A HA 0.119 4.433 4.320 -0.010 0.000 0.219 27 A C 2.466 179.991 177.584 -0.097 0.000 1.176 27 A CA 2.166 54.179 52.037 -0.040 0.000 0.631 27 A CB -1.000 17.963 19.000 -0.063 0.000 0.814 27 A HN 1.168 nan 8.150 nan 0.000 0.446 28 A N -1.778 120.968 122.820 -0.123 0.000 2.070 28 A HA -0.135 4.179 4.320 -0.010 0.000 0.220 28 A C 1.641 178.979 177.584 -0.410 0.000 1.159 28 A CA 1.302 53.175 52.037 -0.273 0.000 0.656 28 A CB -0.607 18.232 19.000 -0.269 0.000 0.800 28 A HN 0.672 nan 8.150 nan 0.000 0.453 29 H N -0.949 118.087 119.070 -0.058 0.000 2.486 29 H HA 0.208 4.757 4.556 -0.011 0.000 0.284 29 H C -0.268 175.065 175.328 0.008 0.000 1.103 29 H CA 0.184 56.228 56.048 -0.007 0.000 1.089 29 H CB 0.001 29.771 29.762 0.012 0.000 1.603 29 H HN 0.642 nan 8.280 nan 0.000 0.557 30 Q N 0.004 119.822 119.800 0.031 0.000 2.453 30 Q HA -0.158 4.175 4.340 -0.010 0.000 0.294 30 Q C 0.476 176.513 176.000 0.061 0.000 1.295 30 Q CA 0.669 56.501 55.803 0.048 0.000 0.853 30 Q CB -1.164 27.627 28.738 0.089 0.000 1.193 30 Q HN 0.647 nan 8.270 nan 0.000 0.461 31 G N -0.312 108.522 108.800 0.055 0.000 3.176 31 G HA2 0.634 4.587 3.960 -0.010 0.000 0.272 31 G HA3 0.634 4.587 3.960 -0.010 0.000 0.272 31 G C -0.948 173.977 174.900 0.042 0.000 1.349 31 G CA -0.630 44.489 45.100 0.031 0.000 0.953 31 G HN 0.090 nan 8.290 nan 0.000 0.559 32 N N -0.227 118.495 118.700 0.037 0.000 2.346 32 N HA 0.300 5.034 4.740 -0.010 0.000 0.289 32 N C -1.527 174.047 175.510 0.108 0.000 1.027 32 N CA -0.453 52.635 53.050 0.064 0.000 0.864 32 N CB 2.530 41.034 38.487 0.029 0.000 1.370 32 N HN 0.322 nan 8.380 nan 0.000 0.481 33 F N 2.353 122.295 119.950 -0.014 0.000 2.538 33 F HA 0.061 4.583 4.527 -0.009 0.000 0.371 33 F C 1.882 177.683 175.800 0.001 0.000 1.087 33 F CA -0.082 57.913 58.000 -0.009 0.000 1.250 33 F CB 0.627 39.620 39.000 -0.013 0.000 1.110 33 F HN 0.506 nan 8.300 nan 0.000 0.570 34 T N 1.555 115.784 114.554 -0.542 0.000 3.081 34 T HA 0.292 4.636 4.350 -0.010 0.000 0.255 34 T C 1.475 175.758 174.700 -0.694 0.000 1.113 34 T CA 0.590 62.406 62.100 -0.474 0.000 1.082 34 T CB -0.296 68.413 68.868 -0.264 0.000 0.939 34 T HN 1.416 nan 8.240 nan 0.000 0.506 35 G N 0.549 108.409 108.800 -1.566 0.000 2.232 35 G HA2 -0.180 3.774 3.960 -0.010 0.000 0.226 35 G HA3 -0.180 3.774 3.960 -0.010 0.000 0.226 35 G C -0.048 174.647 174.900 -0.341 0.000 0.996 35 G CA -0.242 44.301 45.100 -0.928 0.000 0.626 35 G HN 0.611 nan 8.290 nan 0.000 0.509 36 Q N 0.312 119.930 119.800 -0.303 0.000 2.243 36 Q HA 0.607 4.941 4.340 -0.010 0.000 0.252 36 Q C 0.227 176.415 176.000 0.313 0.000 0.909 36 Q CA -0.119 55.696 55.803 0.020 0.000 0.922 36 Q CB 1.666 30.374 28.738 -0.049 0.000 1.215 36 Q HN 0.870 nan 8.270 nan 0.000 0.427 37 W N 0.077 121.433 121.300 0.092 0.000 2.982 37 W HA 0.633 5.286 4.660 -0.011 0.000 0.344 37 W C -1.816 174.730 176.519 0.044 0.000 1.215 37 W CA -0.673 56.742 57.345 0.116 0.000 1.182 37 W CB 1.069 30.646 29.460 0.194 0.000 1.437 37 W HN 0.539 nan 8.180 nan 0.000 0.570 38 T N 0.532 115.020 114.554 -0.110 0.000 2.893 38 T HA 0.348 4.692 4.350 -0.010 0.000 0.337 38 T C -1.370 173.277 174.700 -0.089 0.000 1.587 38 T CA -0.148 61.679 62.100 -0.455 0.000 1.066 38 T CB 1.499 70.183 68.868 -0.308 0.000 1.414 38 T HN 0.534 nan 8.240 nan 0.000 0.488 39 T N 2.647 117.111 114.554 -0.149 0.000 2.832 39 T HA 0.371 4.715 4.350 -0.010 0.000 0.296 39 T C 1.656 176.331 174.700 -0.042 0.000 0.968 39 T CA 0.029 62.126 62.100 -0.005 0.000 1.107 39 T CB 0.891 69.756 68.868 -0.005 0.000 0.916 39 T HN 0.666 nan 8.240 nan 0.000 0.517 40 V N 1.784 121.685 119.914 -0.021 0.000 3.431 40 V HA 0.397 4.511 4.120 -0.010 0.000 0.253 40 V C 0.325 176.407 176.094 -0.019 0.000 1.184 40 V CA 0.106 62.392 62.300 -0.024 0.000 1.104 40 V CB 0.198 32.012 31.823 -0.015 0.000 0.799 40 V HN 0.508 nan 8.190 nan 0.000 0.462 41 V N 1.510 121.412 119.914 -0.020 0.000 2.488 41 V HA 0.427 4.541 4.120 -0.010 0.000 0.293 41 V C -0.244 175.846 176.094 -0.007 0.000 1.027 41 V CA -0.575 61.719 62.300 -0.010 0.000 0.862 41 V CB 1.506 33.326 31.823 -0.006 0.000 1.008 41 V HN 0.309 nan 8.190 nan 0.000 0.428 42 E N 2.440 122.647 120.200 0.012 0.000 2.765 42 E HA -0.042 4.302 4.350 -0.010 0.000 0.256 42 E C 0.982 177.624 176.600 0.070 0.000 0.935 42 E CA 0.879 57.303 56.400 0.039 0.000 0.954 42 E CB 0.466 30.197 29.700 0.052 0.000 0.908 42 E HN 0.879 nan 8.360 nan 0.000 0.500 43 S N 1.621 117.382 115.700 0.100 0.000 3.473 43 S HA -0.285 4.179 4.470 -0.010 0.000 0.339 43 S C 0.455 175.139 174.600 0.139 0.000 1.148 43 S CA 0.997 59.342 58.200 0.243 0.000 0.969 43 S CB -1.079 62.362 63.200 0.402 0.000 0.936 43 S HN 0.731 nan 8.310 nan 0.000 0.530 44 A N -1.674 121.129 122.820 -0.029 0.000 1.996 44 A HA 0.723 5.037 4.320 -0.010 0.000 0.185 44 A C 0.088 177.628 177.584 -0.074 0.000 1.803 44 A CA 0.806 52.837 52.037 -0.010 0.000 1.335 44 A CB 0.576 19.593 19.000 0.028 0.000 1.486 44 A HN 0.613 nan 8.150 nan 0.000 0.408 45 M N 0.131 119.671 119.600 -0.100 0.000 2.365 45 M HA 0.649 5.123 4.480 -0.010 0.000 0.288 45 M C -1.976 174.281 176.300 -0.071 0.000 1.152 45 M CA -0.123 55.125 55.300 -0.087 0.000 0.948 45 M CB 2.052 34.628 32.600 -0.040 0.000 1.729 45 M HN 0.031 nan 8.290 nan 0.000 0.487 46 S N 2.020 117.687 115.700 -0.056 0.000 2.599 46 S HA 0.970 5.434 4.470 -0.010 0.000 0.287 46 S C -1.282 173.353 174.600 0.058 0.000 1.105 46 S CA -0.681 57.548 58.200 0.049 0.000 0.899 46 S CB 2.062 65.335 63.200 0.122 0.000 1.100 46 S HN 1.059 nan 8.310 nan 0.000 0.482 47 V N -0.636 119.358 119.914 0.133 0.000 2.914 47 V HA 0.991 5.105 4.120 -0.010 0.000 0.314 47 V C -0.654 175.563 176.094 0.204 0.000 1.084 47 V CA -0.961 61.399 62.300 0.101 0.000 0.963 47 V CB 1.380 33.237 31.823 0.057 0.000 1.025 47 V HN 0.828 nan 8.190 nan 0.000 0.432 48 V N -0.228 119.778 119.914 0.153 0.000 2.604 48 V HA 0.663 4.777 4.120 -0.010 0.000 0.305 48 V C -0.242 176.010 176.094 0.264 0.000 1.043 48 V CA -0.589 61.885 62.300 0.289 0.000 0.888 48 V CB 1.488 33.362 31.823 0.085 0.000 0.995 48 V HN 1.155 nan 8.190 nan 0.000 0.429 49 E N 2.603 122.999 120.200 0.325 0.000 2.290 49 E HA 0.545 4.889 4.350 -0.010 0.000 0.277 49 E C -1.268 175.432 176.600 0.166 0.000 1.035 49 E CA -0.369 56.123 56.400 0.154 0.000 0.873 49 E CB 1.536 31.271 29.700 0.058 0.000 1.029 49 E HN 0.718 nan 8.360 nan 0.000 0.419 50 V N 4.731 124.689 119.914 0.074 0.000 2.588 50 V HA 0.191 4.305 4.120 -0.010 0.000 0.304 50 V C -0.320 175.737 176.094 -0.062 0.000 1.042 50 V CA -0.815 61.513 62.300 0.047 0.000 0.877 50 V CB 1.710 33.554 31.823 0.034 0.000 0.996 50 V HN 0.743 nan 8.190 nan 0.000 0.425 51 E N 4.581 124.740 120.200 -0.068 0.000 2.194 51 E HA 0.540 4.884 4.350 -0.010 0.000 0.284 51 E C -1.317 175.169 176.600 -0.190 0.000 1.035 51 E CA -0.350 55.968 56.400 -0.137 0.000 0.836 51 E CB 0.857 30.510 29.700 -0.078 0.000 1.070 51 E HN 0.562 nan 8.360 nan 0.000 0.401 52 L N 3.125 124.095 121.223 -0.421 0.000 2.322 52 L HA 0.368 4.702 4.340 -0.010 0.000 0.269 52 L C 0.080 176.779 176.870 -0.286 0.000 1.012 52 L CA -1.211 53.387 54.840 -0.402 0.000 0.815 52 L CB 1.759 43.450 42.059 -0.614 0.000 1.295 52 L HN 0.455 nan 8.230 nan 0.000 0.438 53 Q N 0.531 120.310 119.800 -0.035 0.000 2.235 53 Q HA 0.207 4.541 4.340 -0.010 0.000 0.250 53 Q C 0.861 177.013 176.000 0.253 0.000 0.909 53 Q CA -0.304 55.560 55.803 0.101 0.000 0.910 53 Q CB 2.254 31.050 28.738 0.096 0.000 1.223 53 Q HN 0.454 nan 8.270 nan 0.000 0.432 54 V N 1.317 121.403 119.914 0.287 0.000 2.295 54 V HA -0.190 3.924 4.120 -0.010 0.000 0.246 54 V C 0.933 177.136 176.094 0.182 0.000 1.049 54 V CA 1.819 64.277 62.300 0.265 0.000 1.024 54 V CB -0.128 31.783 31.823 0.147 0.000 0.648 54 V HN 0.738 nan 8.190 nan 0.000 0.447 55 E N 0.728 121.014 120.200 0.143 0.000 2.191 55 E HA 0.229 4.572 4.350 -0.010 0.000 0.263 55 E C -0.956 175.718 176.600 0.123 0.000 0.881 55 E CA -0.656 55.816 56.400 0.120 0.000 0.757 55 E CB 0.896 30.649 29.700 0.088 0.000 1.147 55 E HN 0.330 nan 8.360 nan 0.000 0.414 56 N N 3.337 122.121 118.700 0.140 0.000 2.419 56 N HA 0.182 4.916 4.740 -0.010 0.000 0.264 56 N C -0.448 175.138 175.510 0.127 0.000 1.031 56 N CA -0.014 53.125 53.050 0.148 0.000 0.951 56 N CB 1.709 40.315 38.487 0.197 0.000 1.101 56 N HN 0.598 nan 8.380 nan 0.000 0.488 57 T N -1.282 113.336 114.554 0.107 0.000 2.927 57 T HA 0.919 5.263 4.350 -0.010 0.000 0.286 57 T C 0.439 175.182 174.700 0.072 0.000 1.040 57 T CA -0.796 61.349 62.100 0.076 0.000 1.010 57 T CB 2.206 71.107 68.868 0.055 0.000 1.177 57 T HN 0.580 nan 8.240 nan 0.000 0.546 58 G N -0.346 108.470 108.800 0.026 0.000 2.368 58 G HA2 0.271 4.225 3.960 -0.010 0.000 0.302 58 G HA3 0.271 4.225 3.960 -0.010 0.000 0.302 58 G C 0.044 174.884 174.900 -0.100 0.000 1.329 58 G CA -0.306 44.789 45.100 -0.007 0.000 0.935 58 G HN 1.429 nan 8.290 nan 0.000 0.590 59 I N -2.197 118.242 120.570 -0.219 0.000 3.968 59 I HA 0.435 4.599 4.170 -0.010 0.000 0.328 59 I C 0.497 176.297 176.117 -0.528 0.000 1.290 59 I CA -0.175 60.911 61.300 -0.357 0.000 1.163 59 I CB -0.064 37.687 38.000 -0.415 0.000 1.024 59 I HN 0.334 nan 8.210 nan 0.000 0.413 60 H N 2.110 120.932 119.070 -0.413 0.000 2.525 60 H HA 0.670 5.220 4.556 -0.010 0.000 0.340 60 H C -0.680 174.273 175.328 -0.625 0.000 1.168 60 H CA -0.636 55.023 56.048 -0.647 0.000 1.247 60 H CB 1.250 30.274 29.762 -1.230 0.000 1.568 60 H HN 0.318 nan 8.280 nan 0.000 0.536 61 E N 0.816 120.915 120.200 -0.167 0.000 2.383 61 E HA 0.520 4.864 4.350 -0.010 0.000 0.275 61 E C -1.788 175.088 176.600 0.460 0.000 0.918 61 E CA -1.081 55.404 56.400 0.141 0.000 0.764 61 E CB 2.198 31.951 29.700 0.090 0.000 1.252 61 E HN 0.393 nan 8.360 nan 0.000 0.449 62 F N 1.262 121.451 119.950 0.398 0.000 2.588 62 F HA 0.496 5.017 4.527 -0.010 0.000 0.318 62 F C -1.452 174.519 175.800 0.285 0.000 1.155 62 F CA -0.591 57.621 58.000 0.353 0.000 0.967 62 F CB 1.771 41.008 39.000 0.396 0.000 1.236 62 F HN 0.447 nan 8.300 nan 0.000 0.455 63 K N 3.693 123.817 120.400 -0.459 0.000 2.164 63 K HA 0.746 5.059 4.320 -0.010 0.000 0.258 63 K C -0.763 175.434 176.600 -0.671 0.000 0.951 63 K CA -0.841 55.203 56.287 -0.404 0.000 0.844 63 K CB 2.182 34.543 32.500 -0.231 0.000 1.099 63 K HN 0.709 nan 8.250 nan 0.000 0.435 64 T N 0.412 114.742 114.554 -0.374 0.000 2.749 64 T HA 0.173 4.517 4.350 -0.010 0.000 0.310 64 T C -1.938 172.673 174.700 -0.148 0.000 1.496 64 T CA -0.851 61.096 62.100 -0.256 0.000 1.006 64 T CB 1.282 70.079 68.868 -0.118 0.000 1.457 64 T HN 0.436 nan 8.240 nan 0.000 0.497 65 D N 1.513 121.858 120.400 -0.092 0.000 2.163 65 D HA 0.607 5.240 4.640 -0.010 0.000 0.248 65 D C -0.043 176.202 176.300 -0.092 0.000 1.035 65 D CA -0.053 53.901 54.000 -0.077 0.000 0.872 65 D CB 1.814 42.592 40.800 -0.038 0.000 1.183 65 D HN 0.585 nan 8.370 nan 0.000 0.445 66 V N -1.342 118.474 119.914 -0.163 0.000 3.130 66 V HA 0.518 4.632 4.120 -0.010 0.000 0.310 66 V C -0.016 176.017 176.094 -0.101 0.000 1.158 66 V CA -1.203 60.974 62.300 -0.205 0.000 1.029 66 V CB 1.416 32.834 31.823 -0.676 0.000 1.057 66 V HN 0.380 nan 8.190 nan 0.000 0.436 67 L N 1.913 123.160 121.223 0.039 0.000 2.525 67 L HA 0.415 4.749 4.340 -0.010 0.000 0.278 67 L C 1.134 178.069 176.870 0.110 0.000 1.218 67 L CA 0.753 55.647 54.840 0.089 0.000 0.878 67 L CB 0.892 43.030 42.059 0.131 0.000 1.127 67 L HN 1.030 nan 8.230 nan 0.000 0.492 68 A N 2.298 125.145 122.820 0.045 0.000 2.551 68 A HA 0.538 4.852 4.320 -0.010 0.000 0.252 68 A C 0.762 178.327 177.584 -0.032 0.000 1.199 68 A CA 0.317 52.359 52.037 0.007 0.000 0.972 68 A CB 0.240 19.206 19.000 -0.057 0.000 1.153 68 A HN 1.025 nan 8.150 nan 0.000 0.559 69 G N 0.413 109.202 108.800 -0.018 0.000 2.829 69 G HA2 -0.098 3.856 3.960 -0.010 0.000 0.628 69 G HA3 -0.098 3.856 3.960 -0.010 0.000 0.628 69 G C -2.985 171.839 174.900 -0.128 0.000 1.412 69 G CA -0.388 44.685 45.100 -0.044 0.000 0.864 69 G HN 0.347 nan 8.290 nan 0.000 0.544 70 P HA 0.394 nan 4.420 nan 0.000 0.271 70 P C -0.184 176.722 177.300 -0.655 0.000 1.226 70 P CA 0.107 62.927 63.100 -0.467 0.000 0.765 70 P CB 0.673 32.062 31.700 -0.518 0.000 0.835 71 L N 3.958 124.790 121.223 -0.652 0.000 2.333 71 L HA 0.360 4.694 4.340 -0.010 0.000 0.280 71 L C 0.692 177.221 176.870 -0.568 0.000 1.004 71 L CA -0.567 53.925 54.840 -0.580 0.000 0.820 71 L CB 1.540 43.247 42.059 -0.586 0.000 1.247 71 L HN 0.448 nan 8.230 nan 0.000 0.416 72 W N 1.240 122.532 121.300 -0.012 0.000 2.942 72 W HA 0.105 4.759 4.660 -0.010 0.000 0.263 72 W C 0.951 177.537 176.519 0.112 0.000 1.296 72 W CA -0.127 57.255 57.345 0.063 0.000 1.504 72 W CB 0.341 29.817 29.460 0.026 0.000 1.096 72 W HN 0.560 nan 8.180 nan 0.000 0.639 73 S N -1.486 114.337 115.700 0.206 0.000 2.565 73 S HA 0.168 4.632 4.470 -0.010 0.000 0.269 73 S C 0.267 174.964 174.600 0.161 0.000 1.153 73 S CA -0.767 57.576 58.200 0.239 0.000 0.835 73 S CB 1.136 64.441 63.200 0.175 0.000 1.122 73 S HN 0.122 nan 8.310 nan 0.000 0.462 74 N N 0.601 119.522 118.700 0.370 0.000 2.244 74 N HA -0.159 4.575 4.740 -0.010 0.000 0.183 74 N C 0.484 176.058 175.510 0.107 0.000 1.016 74 N CA 1.583 54.870 53.050 0.396 0.000 0.866 74 N CB -0.291 38.457 38.487 0.435 0.000 0.980 74 N HN 0.654 nan 8.380 nan 0.000 0.430 75 D N 0.889 121.340 120.400 0.085 0.000 2.097 75 D HA -0.188 4.446 4.640 -0.010 0.000 0.195 75 D C 1.641 177.923 176.300 -0.031 0.000 0.989 75 D CA 0.976 54.998 54.000 0.037 0.000 0.827 75 D CB -0.190 40.637 40.800 0.046 0.000 0.966 75 D HN 0.546 nan 8.370 nan 0.000 0.456 76 E N 0.545 120.705 120.200 -0.068 0.000 2.107 76 E HA -0.096 4.248 4.350 -0.010 0.000 0.191 76 E C 2.022 178.457 176.600 -0.276 0.000 0.982 76 E CA 0.794 57.118 56.400 -0.126 0.000 0.809 76 E CB 0.074 29.728 29.700 -0.078 0.000 0.756 76 E HN 0.132 nan 8.360 nan 0.000 0.459 77 A N 1.017 123.548 122.820 -0.483 0.000 1.902 77 A HA -0.203 4.111 4.320 -0.010 0.000 0.217 77 A C 2.133 179.443 177.584 -0.457 0.000 1.181 77 A CA 1.346 52.908 52.037 -0.792 0.000 0.623 77 A CB -0.437 17.496 19.000 -1.780 0.000 0.818 77 A HN 0.247 nan 8.150 nan 0.000 0.443 78 Q N -0.394 119.310 119.800 -0.159 0.000 2.291 78 Q HA -0.128 4.206 4.340 -0.010 0.000 0.205 78 Q C 1.925 177.920 176.000 -0.008 0.000 0.970 78 Q CA 1.668 57.514 55.803 0.071 0.000 0.876 78 Q CB -0.273 28.534 28.738 0.114 0.000 0.935 78 Q HN 0.838 nan 8.270 nan 0.000 0.455 79 K N 0.382 120.728 120.400 -0.090 0.000 2.098 79 K HA 0.020 4.334 4.320 -0.010 0.000 0.203 79 K C 1.908 178.431 176.600 -0.130 0.000 1.051 79 K CA 0.428 56.668 56.287 -0.079 0.000 0.957 79 K CB 0.186 32.646 32.500 -0.066 0.000 0.738 79 K HN 0.124 nan 8.250 nan 0.000 0.447 80 L N -0.003 121.090 121.223 -0.217 0.000 2.307 80 L HA 0.122 4.456 4.340 -0.010 0.000 0.211 80 L C 2.428 179.076 176.870 -0.370 0.000 1.099 80 L CA 0.514 55.208 54.840 -0.243 0.000 0.816 80 L CB -0.390 41.528 42.059 -0.236 0.000 0.952 80 L HN 0.359 nan 8.230 nan 0.000 0.455 81 G N 1.790 110.198 108.800 -0.653 0.000 2.574 81 G HA2 -0.251 3.703 3.960 -0.010 0.000 0.220 81 G HA3 -0.251 3.703 3.960 -0.010 0.000 0.220 81 G C -0.705 173.801 174.900 -0.658 0.000 1.173 81 G CA 1.050 45.383 45.100 -1.279 0.000 0.772 81 G HN 0.296 nan 8.290 nan 0.000 0.585 82 P HA -0.082 nan 4.420 nan 0.000 0.215 82 P C 1.984 179.271 177.300 -0.023 0.000 1.153 82 P CA 1.464 64.573 63.100 0.015 0.000 0.853 82 P CB -0.064 31.674 31.700 0.064 0.000 0.788 83 Q N -1.003 118.755 119.800 -0.070 0.000 2.079 83 Q HA -0.077 4.257 4.340 -0.010 0.000 0.200 83 Q C 2.213 178.194 176.000 -0.031 0.000 0.974 83 Q CA 1.106 56.882 55.803 -0.045 0.000 0.840 83 Q CB -0.540 28.162 28.738 -0.059 0.000 0.898 83 Q HN 0.283 nan 8.270 nan 0.000 0.430 84 I N 0.732 121.257 120.570 -0.075 0.000 2.226 84 I HA -0.264 3.900 4.170 -0.010 0.000 0.245 84 I C 2.418 178.613 176.117 0.130 0.000 1.100 84 I CA 0.893 62.192 61.300 -0.002 0.000 1.374 84 I CB -0.378 37.575 38.000 -0.078 0.000 1.057 84 I HN 0.164 nan 8.210 nan 0.000 0.413 85 A N 0.803 123.651 122.820 0.047 0.000 1.902 85 A HA -0.178 4.136 4.320 -0.010 0.000 0.217 85 A C 2.539 180.222 177.584 0.165 0.000 1.181 85 A CA 1.843 53.946 52.037 0.111 0.000 0.623 85 A CB -0.808 18.252 19.000 0.101 0.000 0.818 85 A HN 0.434 nan 8.150 nan 0.000 0.443 86 A N 0.351 123.238 122.820 0.111 0.000 1.972 86 A HA -0.086 4.228 4.320 -0.010 0.000 0.219 86 A C 2.391 180.051 177.584 0.125 0.000 1.169 86 A CA 2.143 54.245 52.037 0.110 0.000 0.635 86 A CB -0.935 18.100 19.000 0.059 0.000 0.810 86 A HN 1.090 nan 8.150 nan 0.000 0.446 87 S N -2.165 113.594 115.700 0.099 0.000 2.547 87 S HA -0.071 4.393 4.470 -0.010 0.000 0.235 87 S C 1.152 175.730 174.600 -0.036 0.000 0.980 87 S CA 0.942 59.148 58.200 0.011 0.000 0.941 87 S CB -0.605 62.552 63.200 -0.072 0.000 0.763 87 S HN 0.589 nan 8.310 nan 0.000 0.532 88 Y N 1.191 121.549 120.300 0.096 0.000 2.531 88 Y HA 0.432 4.975 4.550 -0.011 0.000 0.249 88 Y C 1.621 177.653 175.900 0.219 0.000 1.168 88 Y CA -0.291 57.900 58.100 0.151 0.000 1.226 88 Y CB 0.385 38.892 38.460 0.079 0.000 1.177 88 Y HN 0.359 nan 8.280 nan 0.000 0.527 89 G N 0.811 109.795 108.800 0.306 0.000 2.246 89 G HA2 -0.038 3.916 3.960 -0.010 0.000 0.273 89 G HA3 -0.038 3.916 3.960 -0.010 0.000 0.273 89 G C 0.055 175.124 174.900 0.282 0.000 1.055 89 G CA 0.310 45.589 45.100 0.298 0.000 0.851 89 G HN 0.687 nan 8.290 nan 0.000 0.500 90 A N -1.249 121.677 122.820 0.176 0.000 2.533 90 A HA 0.900 5.214 4.320 -0.010 0.000 0.293 90 A C -0.398 177.223 177.584 0.061 0.000 1.228 90 A CA -0.490 51.585 52.037 0.063 0.000 0.689 90 A CB 1.027 19.871 19.000 -0.260 0.000 1.303 90 A HN 0.364 nan 8.150 nan 0.000 0.444 91 E N -0.400 119.821 120.200 0.034 0.000 2.212 91 E HA 0.487 4.831 4.350 -0.010 0.000 0.270 91 E C -1.602 175.059 176.600 0.101 0.000 0.956 91 E CA -0.544 55.899 56.400 0.072 0.000 0.825 91 E CB 2.011 31.745 29.700 0.056 0.000 1.167 91 E HN 0.436 nan 8.360 nan 0.000 0.400 92 F N 2.014 121.943 119.950 -0.035 0.000 2.420 92 F HA 0.126 4.647 4.527 -0.010 0.000 0.352 92 F C 1.275 177.060 175.800 -0.026 0.000 1.108 92 F CA -0.564 57.412 58.000 -0.040 0.000 1.162 92 F CB 1.049 40.031 39.000 -0.030 0.000 1.118 92 F HN 0.429 nan 8.300 nan 0.000 0.510 93 T N 1.268 115.542 114.554 -0.468 0.000 3.081 93 T HA 0.303 4.647 4.350 -0.010 0.000 0.255 93 T C 1.419 175.687 174.700 -0.720 0.000 1.113 93 T CA 0.641 62.468 62.100 -0.454 0.000 1.082 93 T CB -0.248 68.463 68.868 -0.262 0.000 0.939 93 T HN 1.380 nan 8.240 nan 0.000 0.506 94 G N 0.525 108.334 108.800 -1.651 0.000 2.238 94 G HA2 -0.174 3.780 3.960 -0.010 0.000 0.217 94 G HA3 -0.174 3.780 3.960 -0.010 0.000 0.217 94 G C -0.041 174.608 174.900 -0.417 0.000 0.996 94 G CA -0.274 44.137 45.100 -1.148 0.000 0.632 94 G HN 0.606 nan 8.290 nan 0.000 0.503 95 Q N 0.312 119.937 119.800 -0.292 0.000 2.259 95 Q HA 0.608 4.942 4.340 -0.010 0.000 0.249 95 Q C 0.197 176.394 176.000 0.328 0.000 0.914 95 Q CA -0.067 55.752 55.803 0.026 0.000 0.904 95 Q CB 1.619 30.321 28.738 -0.060 0.000 1.213 95 Q HN 0.896 nan 8.270 nan 0.000 0.428 96 W N 1.186 122.534 121.300 0.081 0.000 3.057 96 W HA 0.614 5.267 4.660 -0.011 0.000 0.328 96 W C -1.596 174.938 176.519 0.025 0.000 1.232 96 W CA -0.879 56.522 57.345 0.093 0.000 1.187 96 W CB 0.888 30.447 29.460 0.164 0.000 1.417 96 W HN 0.722 nan 8.180 nan 0.000 0.569 97 R N 0.506 120.939 120.500 -0.112 0.000 2.634 97 R HA 0.507 4.841 4.340 -0.010 0.000 0.263 97 R C -1.555 174.698 176.300 -0.079 0.000 1.060 97 R CA -0.658 55.199 56.100 -0.406 0.000 0.898 97 R CB 1.502 31.618 30.300 -0.307 0.000 1.253 97 R HN 0.299 nan 8.270 nan 0.000 0.461 98 T N 3.267 117.748 114.554 -0.122 0.000 2.832 98 T HA 0.250 4.594 4.350 -0.010 0.000 0.296 98 T C 1.325 175.998 174.700 -0.045 0.000 0.968 98 T CA -0.479 61.611 62.100 -0.018 0.000 1.107 98 T CB 0.526 69.381 68.868 -0.022 0.000 0.916 98 T HN 0.606 nan 8.240 nan 0.000 0.517 99 I N 0.924 121.480 120.570 -0.024 0.000 3.462 99 I HA 0.368 4.532 4.170 -0.010 0.000 0.290 99 I C -0.051 176.056 176.117 -0.016 0.000 1.236 99 I CA 0.067 61.354 61.300 -0.022 0.000 1.418 99 I CB 0.496 38.490 38.000 -0.011 0.000 1.102 99 I HN 0.197 nan 8.210 nan 0.000 0.441 100 V N 2.536 122.440 119.914 -0.017 0.000 2.445 100 V HA 0.261 4.375 4.120 -0.010 0.000 0.283 100 V C -0.432 175.656 176.094 -0.009 0.000 1.014 100 V CA -0.544 61.752 62.300 -0.006 0.000 0.852 100 V CB 1.217 33.041 31.823 0.002 0.000 1.021 100 V HN 0.197 nan 8.190 nan 0.000 0.435 101 E N 3.270 123.473 120.200 0.006 0.000 2.608 101 E HA 0.268 4.612 4.350 -0.010 0.000 0.259 101 E C 1.410 178.047 176.600 0.061 0.000 0.951 101 E CA 1.774 58.190 56.400 0.028 0.000 0.945 101 E CB 0.438 30.166 29.700 0.047 0.000 0.916 101 E HN 1.085 nan 8.360 nan 0.000 0.477 102 G N 2.227 111.081 108.800 0.091 0.000 2.175 102 G HA2 -0.289 3.664 3.960 -0.010 0.000 0.265 102 G HA3 -0.289 3.664 3.960 -0.010 0.000 0.265 102 G C 0.654 175.648 174.900 0.158 0.000 0.979 102 G CA 0.565 45.813 45.100 0.246 0.000 0.663 102 G HN 0.467 nan 8.290 nan 0.000 0.533 103 V N -1.805 118.114 119.914 0.008 0.000 3.177 103 V HA 0.650 4.764 4.120 -0.010 0.000 0.219 103 V C 0.313 176.377 176.094 -0.049 0.000 1.344 103 V CA 1.629 63.937 62.300 0.014 0.000 1.324 103 V CB 0.689 32.531 31.823 0.032 0.000 1.165 103 V HN 0.413 nan 8.190 nan 0.000 0.510 104 M N -0.131 119.427 119.600 -0.069 0.000 2.421 104 M HA 0.707 5.181 4.480 -0.010 0.000 0.287 104 M C -1.288 174.975 176.300 -0.062 0.000 1.183 104 M CA -0.063 55.199 55.300 -0.064 0.000 0.916 104 M CB 2.322 34.912 32.600 -0.016 0.000 1.701 104 M HN 0.094 nan 8.290 nan 0.000 0.470 105 S N 1.674 117.345 115.700 -0.048 0.000 2.634 105 S HA 0.971 5.435 4.470 -0.010 0.000 0.296 105 S C -1.305 173.327 174.600 0.053 0.000 1.104 105 S CA -0.668 57.551 58.200 0.032 0.000 0.920 105 S CB 2.023 65.276 63.200 0.089 0.000 1.111 105 S HN 0.989 nan 8.310 nan 0.000 0.493 106 V N -0.439 119.541 119.914 0.110 0.000 3.040 106 V HA 0.853 4.967 4.120 -0.010 0.000 0.312 106 V C -0.909 175.280 176.094 0.158 0.000 1.115 106 V CA -1.121 61.225 62.300 0.078 0.000 0.998 106 V CB 1.326 33.170 31.823 0.036 0.000 1.042 106 V HN 0.955 nan 8.190 nan 0.000 0.433 107 I N -0.342 120.284 120.570 0.093 0.000 2.689 107 I HA 0.638 4.802 4.170 -0.010 0.000 0.299 107 I C -0.445 175.749 176.117 0.127 0.000 1.059 107 I CA -0.786 60.640 61.300 0.210 0.000 1.055 107 I CB 2.054 40.105 38.000 0.086 0.000 1.243 107 I HN 0.903 nan 8.210 nan 0.000 0.425 108 Q N 5.930 125.845 119.800 0.193 0.000 2.279 108 Q HA 0.543 4.877 4.340 -0.010 0.000 0.256 108 Q C -0.894 175.123 176.000 0.028 0.000 0.937 108 Q CA -0.615 55.206 55.803 0.031 0.000 0.933 108 Q CB 1.249 29.975 28.738 -0.021 0.000 1.189 108 Q HN 0.779 nan 8.270 nan 0.000 0.417 109 I N 0.135 120.642 120.570 -0.105 0.000 2.863 109 I HA 0.628 4.792 4.170 -0.010 0.000 0.311 109 I C -1.088 174.905 176.117 -0.207 0.000 1.026 109 I CA -1.103 60.105 61.300 -0.153 0.000 1.077 109 I CB 1.987 39.791 38.000 -0.326 0.000 1.262 109 I HN 0.450 nan 8.210 nan 0.000 0.461 110 K N 3.656 123.956 120.400 -0.167 0.000 2.502 110 K HA 0.413 4.727 4.320 -0.010 0.000 0.254 110 K C -1.911 174.685 176.600 -0.008 0.000 0.947 110 K CA -0.540 55.702 56.287 -0.074 0.000 0.834 110 K CB 1.214 33.701 32.500 -0.021 0.000 1.112 110 K HN 0.682 nan 8.250 nan 0.000 0.427 111 Y N 1.326 121.740 120.300 0.190 0.000 2.301 111 Y HA 0.222 4.766 4.550 -0.010 0.000 0.325 111 Y C 0.470 176.558 175.900 0.313 0.000 1.203 111 Y CA -0.130 58.135 58.100 0.275 0.000 1.255 111 Y CB 1.989 40.665 38.460 0.360 0.000 1.232 111 Y HN 0.392 nan 8.280 nan 0.000 0.501 112 T N 5.305 120.134 114.554 0.459 0.000 2.840 112 T HA 0.543 4.887 4.350 -0.010 0.000 0.287 112 T C -1.120 173.791 174.700 0.351 0.000 0.991 112 T CA -0.592 61.674 62.100 0.278 0.000 0.964 112 T CB 0.165 69.124 68.868 0.152 0.000 0.954 112 T HN 0.483 nan 8.240 nan 0.000 0.438 113 F N 0.000 120.057 119.950 0.179 0.000 2.286 113 F HA 0.000 4.521 4.527 -0.009 0.000 0.279 113 F CA 0.000 58.087 58.000 0.145 0.000 1.383 113 F CB 0.000 39.046 39.000 0.077 0.000 1.145 113 F HN 0.000 nan 8.300 nan 0.000 0.574