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_B 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 0.000 177.666 177.584 0.136 0.000 1.274 1 A CA 0.000 52.090 52.037 0.089 0.000 0.836 1 A CB 0.000 19.047 19.000 0.079 0.000 0.831 2 S N -0.521 115.267 115.700 0.147 0.000 2.697 2 S HA 1.009 5.471 4.470 -0.012 0.000 0.289 2 S C -0.742 174.020 174.600 0.269 0.000 1.149 2 S CA -0.157 58.152 58.200 0.182 0.000 0.850 2 S CB 1.665 64.900 63.200 0.059 0.000 1.151 2 S HN 2.179 nan 8.310 nan 0.000 0.491 3 Y N -1.828 118.490 120.300 0.029 0.000 2.725 3 Y HA 0.793 5.336 4.550 -0.012 0.000 0.333 3 Y C -1.605 174.310 175.900 0.024 0.000 1.242 3 Y CA -1.323 56.791 58.100 0.022 0.000 1.059 3 Y CB 0.613 39.085 38.460 0.021 0.000 1.306 3 Y HN 0.751 nan 8.280 nan 0.000 0.454 4 K N 1.611 122.038 120.400 0.045 0.000 2.318 4 K HA 0.807 5.120 4.320 -0.012 0.000 0.249 4 K C -1.336 175.290 176.600 0.043 0.000 0.942 4 K CA -1.043 55.220 56.287 -0.039 0.000 0.808 4 K CB 3.030 35.530 32.500 -0.001 0.000 1.189 4 K HN 0.784 nan 8.250 nan 0.000 0.428 5 V N -1.575 118.335 119.914 -0.006 0.000 3.188 5 V HA 0.506 4.619 4.120 -0.012 0.000 0.305 5 V C -1.265 174.834 176.094 0.008 0.000 1.232 5 V CA -1.222 61.098 62.300 0.032 0.000 1.043 5 V CB 2.064 33.921 31.823 0.058 0.000 1.068 5 V HN 0.633 nan 8.190 nan 0.000 0.439 6 N N 1.537 120.244 118.700 0.012 0.000 2.479 6 N HA 0.691 5.424 4.740 -0.012 0.000 0.285 6 N C -0.967 174.527 175.510 -0.027 0.000 1.075 6 N CA -0.172 52.887 53.050 0.014 0.000 0.967 6 N CB 1.793 40.294 38.487 0.023 0.000 1.137 6 N HN 0.747 nan 8.380 nan 0.000 0.472 7 I N 2.596 123.139 120.570 -0.045 0.000 2.509 7 I HA 0.334 4.496 4.170 -0.012 0.000 0.293 7 I C -2.231 173.831 176.117 -0.090 0.000 1.020 7 I CA -2.353 58.874 61.300 -0.122 0.000 1.088 7 I CB 2.401 40.253 38.000 -0.246 0.000 1.267 7 I HN 0.147 nan 8.210 nan 0.000 0.430 8 P HA 0.035 nan 4.420 nan 0.000 0.266 8 P C -0.217 177.038 177.300 -0.074 0.000 1.195 8 P CA 0.113 63.175 63.100 -0.063 0.000 0.768 8 P CB 0.798 32.466 31.700 -0.052 0.000 0.838 9 A N 2.292 125.065 122.820 -0.078 0.000 2.600 9 A HA 0.594 4.906 4.320 -0.012 0.000 0.252 9 A C 0.846 178.360 177.584 -0.117 0.000 1.200 9 A CA 0.523 52.495 52.037 -0.109 0.000 0.981 9 A CB -0.485 18.421 19.000 -0.156 0.000 1.207 9 A HN 0.773 nan 8.150 nan 0.000 0.577 10 G N 0.327 109.066 108.800 -0.101 0.000 2.725 10 G HA2 -0.094 3.858 3.960 -0.012 0.000 0.220 10 G HA3 -0.094 3.858 3.960 -0.012 0.000 0.220 10 G C -3.077 171.703 174.900 -0.199 0.000 1.357 10 G CA -0.372 44.658 45.100 -0.117 0.000 0.866 10 G HN 0.378 nan 8.290 nan 0.000 0.548 11 P HA 0.461 nan 4.420 nan 0.000 0.276 11 P C -0.328 176.549 177.300 -0.704 0.000 1.230 11 P CA -0.026 62.734 63.100 -0.568 0.000 0.776 11 P CB 0.879 32.061 31.700 -0.863 0.000 0.888 12 L N 3.605 124.468 121.223 -0.601 0.000 2.319 12 L HA 0.333 4.666 4.340 -0.012 0.000 0.281 12 L C 0.735 177.372 176.870 -0.389 0.000 1.005 12 L CA -0.529 54.002 54.840 -0.515 0.000 0.828 12 L CB 1.468 43.210 42.059 -0.529 0.000 1.227 12 L HN 0.470 nan 8.230 nan 0.000 0.415 13 W N 1.390 122.673 121.300 -0.028 0.000 2.658 13 W HA 0.034 4.687 4.660 -0.012 0.000 0.263 13 W C 1.087 177.660 176.519 0.090 0.000 1.274 13 W CA -0.037 57.334 57.345 0.043 0.000 1.343 13 W CB 0.245 29.711 29.460 0.010 0.000 1.106 13 W HN 0.568 nan 8.180 nan 0.000 0.615 14 S N -1.876 113.949 115.700 0.208 0.000 2.615 14 S HA 0.185 4.648 4.470 -0.012 0.000 0.269 14 S C 0.246 174.909 174.600 0.106 0.000 1.161 14 S CA -0.764 57.569 58.200 0.221 0.000 0.817 14 S CB 1.202 64.500 63.200 0.164 0.000 1.131 14 S HN 0.141 nan 8.310 nan 0.000 0.467 15 N N 0.338 119.211 118.700 0.288 0.000 2.244 15 N HA -0.131 4.601 4.740 -0.012 0.000 0.183 15 N C 1.791 177.323 175.510 0.036 0.000 1.016 15 N CA 1.227 54.447 53.050 0.283 0.000 0.866 15 N CB -0.346 38.367 38.487 0.376 0.000 0.980 15 N HN 0.733 nan 8.380 nan 0.000 0.430 16 A N 1.196 124.042 122.820 0.044 0.000 1.902 16 A HA -0.188 4.124 4.320 -0.012 0.000 0.217 16 A C 2.049 179.595 177.584 -0.063 0.000 1.181 16 A CA 1.473 53.514 52.037 0.007 0.000 0.623 16 A CB -0.627 18.389 19.000 0.027 0.000 0.818 16 A HN 0.557 nan 8.150 nan 0.000 0.443 17 E N -0.231 119.910 120.200 -0.098 0.000 2.072 17 E HA -0.056 4.286 4.350 -0.012 0.000 0.190 17 E C 2.148 178.563 176.600 -0.309 0.000 0.982 17 E CA 0.867 57.177 56.400 -0.150 0.000 0.803 17 E CB -0.251 29.393 29.700 -0.094 0.000 0.755 17 E HN 0.510 nan 8.360 nan 0.000 0.453 18 A N 1.117 123.618 122.820 -0.532 0.000 1.908 18 A HA -0.217 4.096 4.320 -0.012 0.000 0.218 18 A C 2.137 179.426 177.584 -0.492 0.000 1.181 18 A CA 1.455 52.997 52.037 -0.824 0.000 0.627 18 A CB -0.478 17.437 19.000 -1.808 0.000 0.818 18 A HN 0.262 nan 8.150 nan 0.000 0.445 19 Q N -0.424 119.258 119.800 -0.197 0.000 2.291 19 Q HA -0.148 4.185 4.340 -0.012 0.000 0.205 19 Q C 2.012 177.983 176.000 -0.048 0.000 0.970 19 Q CA 1.458 57.286 55.803 0.042 0.000 0.876 19 Q CB -0.297 28.499 28.738 0.097 0.000 0.935 19 Q HN 0.836 nan 8.270 nan 0.000 0.455 20 Q N -0.619 119.103 119.800 -0.130 0.000 2.123 20 Q HA -0.009 4.324 4.340 -0.012 0.000 0.196 20 Q C 2.146 178.037 176.000 -0.182 0.000 0.958 20 Q CA 0.897 56.631 55.803 -0.115 0.000 0.841 20 Q CB 0.425 29.108 28.738 -0.093 0.000 0.915 20 Q HN 0.145 nan 8.270 nan 0.000 0.455 21 V N 0.160 119.910 119.914 -0.272 0.000 2.488 21 V HA -0.081 4.032 4.120 -0.012 0.000 0.246 21 V C 2.193 178.016 176.094 -0.451 0.000 1.046 21 V CA 1.641 63.758 62.300 -0.305 0.000 1.053 21 V CB -0.982 30.665 31.823 -0.293 0.000 0.679 21 V HN 0.489 nan 8.190 nan 0.000 0.458 22 G N 1.254 109.571 108.800 -0.805 0.000 2.513 22 G HA2 -0.242 3.710 3.960 -0.012 0.000 0.219 22 G HA3 -0.242 3.710 3.960 -0.012 0.000 0.219 22 G C -0.252 174.200 174.900 -0.747 0.000 1.160 22 G CA 1.333 45.572 45.100 -1.435 0.000 0.767 22 G HN 0.494 nan 8.290 nan 0.000 0.571 23 P HA -0.016 nan 4.420 nan 0.000 0.220 23 P C 1.862 179.114 177.300 -0.080 0.000 1.148 23 P CA 1.056 64.127 63.100 -0.048 0.000 0.803 23 P CB 0.126 31.843 31.700 0.027 0.000 0.782 24 K N -0.732 119.586 120.400 -0.137 0.000 2.062 24 K HA 0.010 4.323 4.320 -0.012 0.000 0.205 24 K C 1.935 178.481 176.600 -0.090 0.000 1.051 24 K CA 1.045 57.267 56.287 -0.108 0.000 0.941 24 K CB -1.003 31.425 32.500 -0.119 0.000 0.719 24 K HN 0.172 nan 8.250 nan 0.000 0.440 25 I N 1.367 121.870 120.570 -0.112 0.000 2.252 25 I HA -0.166 3.997 4.170 -0.012 0.000 0.245 25 I C 2.416 178.571 176.117 0.064 0.000 1.102 25 I CA 1.073 62.355 61.300 -0.030 0.000 1.385 25 I CB -1.423 36.517 38.000 -0.099 0.000 1.064 25 I HN -0.006 nan 8.210 nan 0.000 0.414 26 A N 1.112 123.938 122.820 0.010 0.000 1.883 26 A HA -0.145 4.168 4.320 -0.012 0.000 0.217 26 A C 2.580 180.196 177.584 0.054 0.000 1.186 26 A CA 2.151 54.228 52.037 0.066 0.000 0.624 26 A CB -0.843 18.215 19.000 0.097 0.000 0.822 26 A HN 0.413 nan 8.150 nan 0.000 0.444 27 A N -0.262 122.558 122.820 0.001 0.000 1.933 27 A HA 0.163 4.476 4.320 -0.012 0.000 0.218 27 A C 2.434 179.957 177.584 -0.103 0.000 1.175 27 A CA 1.988 53.999 52.037 -0.043 0.000 0.628 27 A CB -0.910 18.053 19.000 -0.062 0.000 0.814 27 A HN 1.115 nan 8.150 nan 0.000 0.444 28 A N -1.659 121.095 122.820 -0.111 0.000 2.067 28 A HA -0.123 4.190 4.320 -0.012 0.000 0.219 28 A C 1.626 178.955 177.584 -0.425 0.000 1.158 28 A CA 1.212 53.093 52.037 -0.260 0.000 0.661 28 A CB -0.607 18.261 19.000 -0.219 0.000 0.801 28 A HN 0.671 nan 8.150 nan 0.000 0.452 29 H N -0.959 118.067 119.070 -0.074 0.000 2.487 29 H HA 0.207 4.755 4.556 -0.013 0.000 0.290 29 H C -0.251 175.075 175.328 -0.002 0.000 1.081 29 H CA 0.197 56.233 56.048 -0.020 0.000 1.116 29 H CB 0.020 29.785 29.762 0.005 0.000 1.560 29 H HN 0.634 nan 8.280 nan 0.000 0.548 30 Q N -0.079 119.725 119.800 0.007 0.000 2.457 30 Q HA -0.154 4.178 4.340 -0.012 0.000 0.283 30 Q C 0.497 176.531 176.000 0.056 0.000 1.234 30 Q CA 0.640 56.463 55.803 0.033 0.000 0.877 30 Q CB -1.141 27.646 28.738 0.082 0.000 1.250 30 Q HN 0.653 nan 8.270 nan 0.000 0.481 31 G N -0.380 108.451 108.800 0.051 0.000 3.211 31 G HA2 0.658 4.611 3.960 -0.012 0.000 0.262 31 G HA3 0.658 4.611 3.960 -0.012 0.000 0.262 31 G C -0.881 174.044 174.900 0.042 0.000 1.352 31 G CA -0.571 44.547 45.100 0.031 0.000 1.004 31 G HN 0.087 nan 8.290 nan 0.000 0.559 32 N N -0.519 118.206 118.700 0.042 0.000 2.295 32 N HA 0.301 5.034 4.740 -0.012 0.000 0.293 32 N C -1.706 173.878 175.510 0.123 0.000 1.040 32 N CA -0.456 52.637 53.050 0.072 0.000 0.840 32 N CB 2.722 41.232 38.487 0.039 0.000 1.468 32 N HN 0.323 nan 8.380 nan 0.000 0.478 33 F N 2.208 122.149 119.950 -0.016 0.000 2.495 33 F HA 0.110 4.632 4.527 -0.009 0.000 0.365 33 F C 1.867 177.667 175.800 -0.000 0.000 1.090 33 F CA -0.149 57.844 58.000 -0.011 0.000 1.235 33 F CB 0.651 39.640 39.000 -0.018 0.000 1.119 33 F HN 0.512 nan 8.300 nan 0.000 0.562 34 T N 1.510 115.793 114.554 -0.452 0.000 3.067 34 T HA 0.281 4.623 4.350 -0.012 0.000 0.261 34 T C 1.477 175.761 174.700 -0.693 0.000 1.110 34 T CA 0.625 62.465 62.100 -0.435 0.000 1.113 34 T CB -0.316 68.408 68.868 -0.239 0.000 0.917 34 T HN 1.416 nan 8.240 nan 0.000 0.499 35 G N 0.509 108.340 108.800 -1.614 0.000 2.232 35 G HA2 -0.178 3.774 3.960 -0.012 0.000 0.226 35 G HA3 -0.178 3.774 3.960 -0.012 0.000 0.226 35 G C -0.043 174.614 174.900 -0.406 0.000 0.996 35 G CA -0.255 44.196 45.100 -1.081 0.000 0.626 35 G HN 0.609 nan 8.290 nan 0.000 0.509 36 Q N 0.362 119.978 119.800 -0.306 0.000 2.259 36 Q HA 0.595 4.928 4.340 -0.012 0.000 0.249 36 Q C 0.201 176.416 176.000 0.359 0.000 0.914 36 Q CA -0.102 55.729 55.803 0.046 0.000 0.904 36 Q CB 1.556 30.276 28.738 -0.030 0.000 1.213 36 Q HN 0.835 nan 8.270 nan 0.000 0.428 37 W N -0.069 121.293 121.300 0.104 0.000 3.066 37 W HA 0.617 5.272 4.660 -0.008 0.000 0.330 37 W C -1.729 174.821 176.519 0.051 0.000 1.253 37 W CA -0.807 56.616 57.345 0.130 0.000 1.187 37 W CB 0.721 30.299 29.460 0.196 0.000 1.434 37 W HN 0.369 nan 8.180 nan 0.000 0.572 38 T N 1.266 115.865 114.554 0.075 0.000 2.993 38 T HA 0.342 4.685 4.350 -0.012 0.000 0.312 38 T C -0.834 173.868 174.700 0.003 0.000 1.115 38 T CA -0.470 61.528 62.100 -0.171 0.000 1.027 38 T CB 2.159 70.967 68.868 -0.101 0.000 1.116 38 T HN 0.365 nan 8.240 nan 0.000 0.464 39 T N 2.416 116.914 114.554 -0.093 0.000 2.780 39 T HA 0.330 4.673 4.350 -0.012 0.000 0.294 39 T C 1.594 176.277 174.700 -0.030 0.000 0.949 39 T CA -0.383 61.723 62.100 0.010 0.000 1.074 39 T CB 0.669 69.543 68.868 0.010 0.000 0.910 39 T HN 0.587 nan 8.240 nan 0.000 0.501 40 V N 2.000 121.904 119.914 -0.016 0.000 3.621 40 V HA 0.417 4.529 4.120 -0.012 0.000 0.263 40 V C 0.278 176.360 176.094 -0.021 0.000 1.272 40 V CA 0.064 62.351 62.300 -0.022 0.000 1.080 40 V CB 0.200 32.013 31.823 -0.016 0.000 0.816 40 V HN 0.507 nan 8.190 nan 0.000 0.451 41 V N 1.275 121.174 119.914 -0.024 0.000 2.532 41 V HA 0.353 4.466 4.120 -0.012 0.000 0.294 41 V C -0.161 175.920 176.094 -0.021 0.000 1.036 41 V CA -0.704 61.585 62.300 -0.019 0.000 0.876 41 V CB 1.546 33.358 31.823 -0.019 0.000 1.012 41 V HN 0.494 nan 8.190 nan 0.000 0.432 42 E N 2.742 122.941 120.200 -0.001 0.000 2.708 42 E HA -0.019 4.323 4.350 -0.012 0.000 0.260 42 E C 0.783 177.403 176.600 0.033 0.000 0.937 42 E CA 0.991 57.404 56.400 0.020 0.000 0.953 42 E CB 0.283 30.006 29.700 0.039 0.000 0.915 42 E HN 0.886 nan 8.360 nan 0.000 0.487 43 S N 1.703 117.427 115.700 0.040 0.000 3.419 43 S HA -0.304 4.159 4.470 -0.012 0.000 0.350 43 S C 0.226 174.823 174.600 -0.005 0.000 1.128 43 S CA 0.833 59.093 58.200 0.099 0.000 0.999 43 S CB -1.143 62.249 63.200 0.320 0.000 0.923 43 S HN 0.754 nan 8.310 nan 0.000 0.522 44 A N -1.652 121.105 122.820 -0.105 0.000 1.857 44 A HA 0.730 5.042 4.320 -0.012 0.000 0.198 44 A C 0.103 177.618 177.584 -0.116 0.000 1.775 44 A CA 0.811 52.803 52.037 -0.074 0.000 1.281 44 A CB 0.526 19.518 19.000 -0.014 0.000 1.355 44 A HN 0.587 nan 8.150 nan 0.000 0.417 45 M N 0.096 119.625 119.600 -0.117 0.000 2.365 45 M HA 0.686 5.158 4.480 -0.012 0.000 0.287 45 M C -1.895 174.362 176.300 -0.073 0.000 1.154 45 M CA -0.129 55.112 55.300 -0.098 0.000 0.941 45 M CB 2.147 34.715 32.600 -0.054 0.000 1.704 45 M HN 0.052 nan 8.290 nan 0.000 0.479 46 S N 1.838 117.504 115.700 -0.057 0.000 2.595 46 S HA 0.966 5.428 4.470 -0.012 0.000 0.281 46 S C -1.394 173.228 174.600 0.037 0.000 1.117 46 S CA -0.685 57.538 58.200 0.039 0.000 0.873 46 S CB 2.092 65.361 63.200 0.115 0.000 1.108 46 S HN 1.044 nan 8.310 nan 0.000 0.477 47 V N -0.619 119.357 119.914 0.103 0.000 2.914 47 V HA 0.988 5.101 4.120 -0.012 0.000 0.314 47 V C -0.561 175.632 176.094 0.166 0.000 1.084 47 V CA -0.958 61.386 62.300 0.073 0.000 0.963 47 V CB 1.300 33.148 31.823 0.043 0.000 1.025 47 V HN 0.841 nan 8.190 nan 0.000 0.432 48 V N -0.257 119.731 119.914 0.122 0.000 2.680 48 V HA 0.671 4.783 4.120 -0.012 0.000 0.309 48 V C -0.217 176.028 176.094 0.251 0.000 1.052 48 V CA -0.601 61.855 62.300 0.261 0.000 0.908 48 V CB 1.629 33.476 31.823 0.039 0.000 1.001 48 V HN 1.141 nan 8.190 nan 0.000 0.431 49 E N 2.384 122.785 120.200 0.335 0.000 2.223 49 E HA 0.531 4.873 4.350 -0.012 0.000 0.282 49 E C -1.258 175.445 176.600 0.172 0.000 1.046 49 E CA -0.381 56.117 56.400 0.164 0.000 0.857 49 E CB 1.485 31.230 29.700 0.075 0.000 1.055 49 E HN 0.722 nan 8.360 nan 0.000 0.409 50 V N 4.241 124.204 119.914 0.081 0.000 2.540 50 V HA 0.192 4.305 4.120 -0.012 0.000 0.302 50 V C -0.295 175.768 176.094 -0.053 0.000 1.035 50 V CA -0.903 61.426 62.300 0.050 0.000 0.873 50 V CB 1.710 33.550 31.823 0.027 0.000 0.992 50 V HN 0.696 nan 8.190 nan 0.000 0.428 51 E N 4.088 124.255 120.200 -0.056 0.000 2.229 51 E HA 0.586 4.929 4.350 -0.012 0.000 0.283 51 E C -1.166 175.332 176.600 -0.170 0.000 1.030 51 E CA 0.012 56.341 56.400 -0.119 0.000 0.836 51 E CB 0.778 30.441 29.700 -0.062 0.000 1.068 51 E HN 0.573 nan 8.360 nan 0.000 0.401 52 L N 3.140 124.139 121.223 -0.374 0.000 2.323 52 L HA 0.462 4.795 4.340 -0.012 0.000 0.265 52 L C -0.053 176.677 176.870 -0.234 0.000 1.012 52 L CA -1.362 53.260 54.840 -0.363 0.000 0.820 52 L CB 1.792 43.480 42.059 -0.618 0.000 1.334 52 L HN 0.391 nan 8.230 nan 0.000 0.427 53 Q N 0.455 120.250 119.800 -0.008 0.000 2.230 53 Q HA 0.231 4.563 4.340 -0.012 0.000 0.253 53 Q C 0.811 176.977 176.000 0.276 0.000 0.919 53 Q CA -0.342 55.535 55.803 0.123 0.000 0.908 53 Q CB 2.368 31.173 28.738 0.111 0.000 1.245 53 Q HN 0.445 nan 8.270 nan 0.000 0.437 54 V N 1.201 121.294 119.914 0.298 0.000 2.343 54 V HA -0.179 3.934 4.120 -0.012 0.000 0.247 54 V C 0.863 177.066 176.094 0.182 0.000 1.051 54 V CA 1.783 64.240 62.300 0.262 0.000 1.036 54 V CB -0.086 31.820 31.823 0.138 0.000 0.654 54 V HN 0.743 nan 8.190 nan 0.000 0.451 55 E N 0.558 120.847 120.200 0.148 0.000 2.241 55 E HA 0.242 4.585 4.350 -0.012 0.000 0.263 55 E C -0.965 175.712 176.600 0.127 0.000 0.882 55 E CA -0.664 55.811 56.400 0.125 0.000 0.769 55 E CB 0.976 30.730 29.700 0.091 0.000 1.185 55 E HN 0.301 nan 8.360 nan 0.000 0.415 56 N N 2.940 121.727 118.700 0.145 0.000 2.472 56 N HA 0.226 4.958 4.740 -0.012 0.000 0.277 56 N C -0.469 175.121 175.510 0.133 0.000 1.081 56 N CA 0.079 53.223 53.050 0.155 0.000 0.973 56 N CB 1.716 40.327 38.487 0.207 0.000 1.105 56 N HN 0.621 nan 8.380 nan 0.000 0.470 57 T N -1.683 112.941 114.554 0.117 0.000 2.888 57 T HA 0.918 5.261 4.350 -0.012 0.000 0.288 57 T C 0.311 175.060 174.700 0.080 0.000 1.063 57 T CA -0.836 61.314 62.100 0.084 0.000 1.010 57 T CB 2.232 71.136 68.868 0.060 0.000 1.214 57 T HN 0.605 nan 8.240 nan 0.000 0.533 58 G N -0.315 108.503 108.800 0.029 0.000 2.368 58 G HA2 0.303 4.255 3.960 -0.012 0.000 0.302 58 G HA3 0.303 4.255 3.960 -0.012 0.000 0.302 58 G C -0.071 174.765 174.900 -0.107 0.000 1.329 58 G CA -0.311 44.784 45.100 -0.009 0.000 0.935 58 G HN 1.485 nan 8.290 nan 0.000 0.590 59 I N -2.126 118.303 120.570 -0.235 0.000 3.956 59 I HA 0.479 4.641 4.170 -0.012 0.000 0.333 59 I C 0.378 176.150 176.117 -0.576 0.000 1.302 59 I CA -0.301 60.776 61.300 -0.370 0.000 1.122 59 I CB -0.122 37.638 38.000 -0.401 0.000 1.013 59 I HN 0.341 nan 8.210 nan 0.000 0.405 60 H N 1.512 120.345 119.070 -0.395 0.000 2.651 60 H HA 0.733 5.283 4.556 -0.011 0.000 0.353 60 H C -0.764 174.234 175.328 -0.549 0.000 1.178 60 H CA -0.652 55.047 56.048 -0.581 0.000 1.224 60 H CB 1.336 30.438 29.762 -1.099 0.000 1.702 60 H HN 0.259 nan 8.280 nan 0.000 0.550 61 E N 0.573 120.696 120.200 -0.129 0.000 2.413 61 E HA 0.498 4.840 4.350 -0.012 0.000 0.277 61 E C -1.849 175.012 176.600 0.435 0.000 0.958 61 E CA -1.059 55.426 56.400 0.142 0.000 0.779 61 E CB 1.900 31.657 29.700 0.095 0.000 1.278 61 E HN 0.401 nan 8.360 nan 0.000 0.456 62 F N 0.650 120.831 119.950 0.385 0.000 2.588 62 F HA 0.574 5.095 4.527 -0.011 0.000 0.314 62 F C -1.440 174.536 175.800 0.293 0.000 1.134 62 F CA -0.593 57.609 58.000 0.338 0.000 0.961 62 F CB 1.797 41.019 39.000 0.369 0.000 1.239 62 F HN 0.480 nan 8.300 nan 0.000 0.448 63 K N 3.651 123.707 120.400 -0.573 0.000 2.207 63 K HA 0.756 5.069 4.320 -0.012 0.000 0.255 63 K C -0.870 175.277 176.600 -0.755 0.000 0.941 63 K CA -0.874 55.130 56.287 -0.470 0.000 0.825 63 K CB 2.256 34.603 32.500 -0.254 0.000 1.119 63 K HN 0.730 nan 8.250 nan 0.000 0.430 64 T N 0.523 114.840 114.554 -0.396 0.000 2.749 64 T HA 0.194 4.536 4.350 -0.012 0.000 0.310 64 T C -1.942 172.681 174.700 -0.129 0.000 1.496 64 T CA -0.816 61.133 62.100 -0.253 0.000 1.006 64 T CB 1.294 70.097 68.868 -0.109 0.000 1.457 64 T HN 0.438 nan 8.240 nan 0.000 0.497 65 D N 1.318 121.675 120.400 -0.071 0.000 2.168 65 D HA 0.617 5.249 4.640 -0.012 0.000 0.246 65 D C -0.007 176.250 176.300 -0.072 0.000 1.050 65 D CA -0.067 53.899 54.000 -0.057 0.000 0.857 65 D CB 1.732 42.519 40.800 -0.022 0.000 1.169 65 D HN 0.577 nan 8.370 nan 0.000 0.453 66 V N -1.306 118.520 119.914 -0.146 0.000 3.141 66 V HA 0.554 4.667 4.120 -0.012 0.000 0.312 66 V C -0.170 175.872 176.094 -0.087 0.000 1.157 66 V CA -1.186 60.995 62.300 -0.200 0.000 1.041 66 V CB 1.248 32.644 31.823 -0.712 0.000 1.071 66 V HN 0.377 nan 8.190 nan 0.000 0.441 67 L N 1.602 122.854 121.223 0.049 0.000 2.453 67 L HA 0.488 4.821 4.340 -0.012 0.000 0.272 67 L C 1.167 178.116 176.870 0.131 0.000 1.182 67 L CA 0.575 55.479 54.840 0.106 0.000 0.858 67 L CB 1.124 43.269 42.059 0.143 0.000 1.120 67 L HN 1.004 nan 8.230 nan 0.000 0.474 68 A N 2.325 125.190 122.820 0.074 0.000 2.419 68 A HA 0.550 4.862 4.320 -0.012 0.000 0.233 68 A C 0.803 178.386 177.584 -0.002 0.000 1.217 68 A CA 0.363 52.424 52.037 0.040 0.000 0.944 68 A CB 0.256 19.252 19.000 -0.007 0.000 1.025 68 A HN 1.002 nan 8.150 nan 0.000 0.524 69 G N 0.041 108.842 108.800 0.001 0.000 2.756 69 G HA2 -0.048 3.905 3.960 -0.012 0.000 0.678 69 G HA3 -0.048 3.905 3.960 -0.012 0.000 0.678 69 G C -3.177 171.673 174.900 -0.084 0.000 1.349 69 G CA -0.435 44.640 45.100 -0.042 0.000 0.847 69 G HN 0.295 nan 8.290 nan 0.000 0.548 70 P HA 0.442 nan 4.420 nan 0.000 0.276 70 P C -0.209 176.906 177.300 -0.308 0.000 1.235 70 P CA 0.038 63.009 63.100 -0.215 0.000 0.772 70 P CB 0.797 32.316 31.700 -0.300 0.000 0.871 71 L N 3.443 124.513 121.223 -0.255 0.000 2.341 71 L HA 0.370 4.703 4.340 -0.012 0.000 0.278 71 L C 1.147 177.880 176.870 -0.227 0.000 1.005 71 L CA -0.686 53.969 54.840 -0.307 0.000 0.818 71 L CB 1.611 43.417 42.059 -0.423 0.000 1.259 71 L HN 0.428 nan 8.230 nan 0.000 0.418 72 W N 1.271 122.508 121.300 -0.105 0.000 2.402 72 W HA -0.065 4.589 4.660 -0.011 0.000 0.286 72 W C 1.166 177.688 176.519 0.005 0.000 1.221 72 W CA 0.633 57.957 57.345 -0.034 0.000 1.257 72 W CB 0.154 29.591 29.460 -0.038 0.000 1.120 72 W HN 0.660 nan 8.180 nan 0.000 0.551 73 S N -2.636 113.148 115.700 0.139 0.000 2.636 73 S HA 0.115 4.577 4.470 -0.012 0.000 0.266 73 S C 0.307 174.898 174.600 -0.016 0.000 1.147 73 S CA -0.486 57.821 58.200 0.179 0.000 0.815 73 S CB 0.779 64.079 63.200 0.167 0.000 1.119 73 S HN 0.153 nan 8.310 nan 0.000 0.470 74 N N 0.447 119.352 118.700 0.341 0.000 2.120 74 N HA -0.174 4.559 4.740 -0.012 0.000 0.188 74 N C 0.547 176.093 175.510 0.061 0.000 1.024 74 N CA 1.871 55.157 53.050 0.393 0.000 0.852 74 N CB -0.420 38.403 38.487 0.559 0.000 1.003 74 N HN 0.623 nan 8.380 nan 0.000 0.424 75 D N 0.812 121.254 120.400 0.070 0.000 2.144 75 D HA -0.169 4.464 4.640 -0.012 0.000 0.199 75 D C 1.670 177.943 176.300 -0.044 0.000 0.984 75 D CA 0.827 54.843 54.000 0.027 0.000 0.834 75 D CB -0.243 40.580 40.800 0.038 0.000 0.955 75 D HN 0.533 nan 8.370 nan 0.000 0.465 76 E N 0.401 120.548 120.200 -0.088 0.000 2.072 76 E HA -0.102 4.241 4.350 -0.012 0.000 0.190 76 E C 2.011 178.460 176.600 -0.253 0.000 0.982 76 E CA 0.748 57.077 56.400 -0.118 0.000 0.803 76 E CB 0.076 29.748 29.700 -0.048 0.000 0.755 76 E HN 0.132 nan 8.360 nan 0.000 0.453 77 A N 1.124 123.653 122.820 -0.484 0.000 1.908 77 A HA -0.224 4.089 4.320 -0.012 0.000 0.218 77 A C 2.120 179.494 177.584 -0.350 0.000 1.181 77 A CA 1.415 53.036 52.037 -0.694 0.000 0.627 77 A CB -0.446 17.583 19.000 -1.618 0.000 0.818 77 A HN 0.249 nan 8.150 nan 0.000 0.445 78 Q N -0.338 119.407 119.800 -0.091 0.000 2.167 78 Q HA -0.149 4.184 4.340 -0.012 0.000 0.202 78 Q C 2.011 178.035 176.000 0.040 0.000 0.970 78 Q CA 1.780 57.666 55.803 0.138 0.000 0.855 78 Q CB -0.351 28.471 28.738 0.140 0.000 0.911 78 Q HN 0.856 nan 8.270 nan 0.000 0.438 79 K N 0.573 120.944 120.400 -0.048 0.000 2.007 79 K HA -0.032 4.281 4.320 -0.012 0.000 0.206 79 K C 1.964 178.506 176.600 -0.096 0.000 1.047 79 K CA 0.703 56.961 56.287 -0.049 0.000 0.937 79 K CB 0.056 32.528 32.500 -0.048 0.000 0.718 79 K HN 0.133 nan 8.250 nan 0.000 0.438 80 L N 0.136 121.255 121.223 -0.173 0.000 2.375 80 L HA 0.111 4.443 4.340 -0.012 0.000 0.215 80 L C 2.469 179.143 176.870 -0.326 0.000 1.108 80 L CA 0.491 55.210 54.840 -0.203 0.000 0.830 80 L CB -0.422 41.521 42.059 -0.192 0.000 0.959 80 L HN 0.398 nan 8.230 nan 0.000 0.457 81 G N 1.749 110.194 108.800 -0.591 0.000 2.513 81 G HA2 -0.233 3.720 3.960 -0.012 0.000 0.219 81 G HA3 -0.233 3.720 3.960 -0.012 0.000 0.219 81 G C -0.668 173.868 174.900 -0.606 0.000 1.160 81 G CA 0.927 45.307 45.100 -1.199 0.000 0.767 81 G HN 0.308 nan 8.290 nan 0.000 0.571 82 P HA -0.097 nan 4.420 nan 0.000 0.215 82 P C 1.960 179.251 177.300 -0.016 0.000 1.157 82 P CA 1.469 64.580 63.100 0.018 0.000 0.874 82 P CB -0.053 31.686 31.700 0.065 0.000 0.790 83 Q N -1.068 118.699 119.800 -0.055 0.000 2.079 83 Q HA -0.079 4.253 4.340 -0.012 0.000 0.200 83 Q C 2.194 178.182 176.000 -0.020 0.000 0.974 83 Q CA 1.075 56.859 55.803 -0.032 0.000 0.840 83 Q CB -0.517 28.195 28.738 -0.044 0.000 0.898 83 Q HN 0.266 nan 8.270 nan 0.000 0.430 84 I N 0.520 121.055 120.570 -0.059 0.000 2.226 84 I HA -0.283 3.880 4.170 -0.012 0.000 0.245 84 I C 2.365 178.569 176.117 0.144 0.000 1.100 84 I CA 0.956 62.262 61.300 0.010 0.000 1.374 84 I CB -0.374 37.590 38.000 -0.059 0.000 1.057 84 I HN 0.177 nan 8.210 nan 0.000 0.413 85 A N 0.754 123.613 122.820 0.065 0.000 1.902 85 A HA -0.140 4.173 4.320 -0.012 0.000 0.217 85 A C 2.535 180.219 177.584 0.166 0.000 1.181 85 A CA 1.720 53.832 52.037 0.125 0.000 0.623 85 A CB -0.779 18.279 19.000 0.096 0.000 0.818 85 A HN 0.428 nan 8.150 nan 0.000 0.443 86 A N 0.356 123.241 122.820 0.109 0.000 2.019 86 A HA -0.078 4.235 4.320 -0.012 0.000 0.219 86 A C 2.371 180.027 177.584 0.119 0.000 1.164 86 A CA 2.094 54.194 52.037 0.105 0.000 0.644 86 A CB -0.874 18.161 19.000 0.059 0.000 0.805 86 A HN 1.057 nan 8.150 nan 0.000 0.449 87 S N -2.192 113.567 115.700 0.099 0.000 2.555 87 S HA -0.044 4.419 4.470 -0.012 0.000 0.230 87 S C 1.164 175.740 174.600 -0.040 0.000 0.978 87 S CA 0.793 58.999 58.200 0.009 0.000 0.934 87 S CB -0.597 62.555 63.200 -0.080 0.000 0.766 87 S HN 0.584 nan 8.310 nan 0.000 0.533 88 Y N 1.289 121.646 120.300 0.095 0.000 2.507 88 Y HA 0.431 4.973 4.550 -0.013 0.000 0.254 88 Y C 1.637 177.661 175.900 0.206 0.000 1.171 88 Y CA -0.273 57.917 58.100 0.150 0.000 1.238 88 Y CB 0.340 38.852 38.460 0.087 0.000 1.148 88 Y HN 0.365 nan 8.280 nan 0.000 0.525 89 G N 0.767 109.743 108.800 0.294 0.000 2.246 89 G HA2 -0.042 3.910 3.960 -0.012 0.000 0.273 89 G HA3 -0.042 3.910 3.960 -0.012 0.000 0.273 89 G C 0.048 175.095 174.900 0.244 0.000 1.055 89 G CA 0.284 45.553 45.100 0.281 0.000 0.851 89 G HN 0.677 nan 8.290 nan 0.000 0.500 90 A N -1.233 121.666 122.820 0.131 0.000 2.533 90 A HA 0.909 5.222 4.320 -0.012 0.000 0.293 90 A C -0.331 177.269 177.584 0.027 0.000 1.228 90 A CA -0.497 51.536 52.037 -0.007 0.000 0.689 90 A CB 1.082 19.846 19.000 -0.394 0.000 1.303 90 A HN 0.364 nan 8.150 nan 0.000 0.444 91 E N -0.479 119.723 120.200 0.003 0.000 2.222 91 E HA 0.497 4.839 4.350 -0.012 0.000 0.267 91 E C -1.588 175.070 176.600 0.096 0.000 0.963 91 E CA -0.545 55.891 56.400 0.060 0.000 0.837 91 E CB 1.984 31.713 29.700 0.048 0.000 1.183 91 E HN 0.440 nan 8.360 nan 0.000 0.403 92 F N 1.710 121.639 119.950 -0.035 0.000 2.404 92 F HA 0.147 4.666 4.527 -0.013 0.000 0.345 92 F C 1.219 177.006 175.800 -0.021 0.000 1.110 92 F CA -0.570 57.410 58.000 -0.034 0.000 1.130 92 F CB 1.152 40.143 39.000 -0.014 0.000 1.129 92 F HN 0.424 nan 8.300 nan 0.000 0.500 93 T N 1.113 115.394 114.554 -0.454 0.000 3.065 93 T HA 0.319 4.661 4.350 -0.012 0.000 0.252 93 T C 1.386 175.653 174.700 -0.721 0.000 1.099 93 T CA 0.574 62.402 62.100 -0.454 0.000 1.063 93 T CB -0.245 68.463 68.868 -0.266 0.000 0.948 93 T HN 1.413 nan 8.240 nan 0.000 0.506 94 G N 0.668 108.465 108.800 -1.671 0.000 2.232 94 G HA2 -0.186 3.767 3.960 -0.012 0.000 0.226 94 G HA3 -0.186 3.767 3.960 -0.012 0.000 0.226 94 G C -0.021 174.644 174.900 -0.393 0.000 0.996 94 G CA -0.240 44.170 45.100 -1.149 0.000 0.626 94 G HN 0.613 nan 8.290 nan 0.000 0.509 95 Q N 0.310 119.942 119.800 -0.280 0.000 2.259 95 Q HA 0.577 4.910 4.340 -0.012 0.000 0.249 95 Q C 0.196 176.373 176.000 0.294 0.000 0.914 95 Q CA 0.009 55.818 55.803 0.010 0.000 0.904 95 Q CB 1.618 30.314 28.738 -0.071 0.000 1.213 95 Q HN 0.874 nan 8.270 nan 0.000 0.428 96 W N 1.339 122.697 121.300 0.098 0.000 3.057 96 W HA 0.607 5.260 4.660 -0.013 0.000 0.328 96 W C -1.588 174.967 176.519 0.059 0.000 1.232 96 W CA -0.904 56.513 57.345 0.120 0.000 1.187 96 W CB 0.853 30.431 29.460 0.198 0.000 1.417 96 W HN 0.723 nan 8.180 nan 0.000 0.569 97 R N 0.422 120.812 120.500 -0.183 0.000 2.663 97 R HA 0.626 4.958 4.340 -0.012 0.000 0.267 97 R C -1.463 174.835 176.300 -0.003 0.000 1.038 97 R CA -0.698 55.131 56.100 -0.451 0.000 0.886 97 R CB 1.695 31.809 30.300 -0.311 0.000 1.249 97 R HN 0.286 nan 8.270 nan 0.000 0.463 98 T N 2.491 117.037 114.554 -0.012 0.000 2.856 98 T HA 0.308 4.651 4.350 -0.012 0.000 0.292 98 T C 1.160 175.876 174.700 0.026 0.000 0.980 98 T CA -0.624 61.545 62.100 0.116 0.000 1.091 98 T CB 0.723 69.681 68.868 0.150 0.000 0.936 98 T HN 0.643 nan 8.240 nan 0.000 0.503 99 I N 0.384 120.974 120.570 0.033 0.000 4.035 99 I HA 0.448 4.611 4.170 -0.012 0.000 0.321 99 I C -0.277 175.845 176.117 0.009 0.000 1.289 99 I CA -0.095 61.212 61.300 0.011 0.000 1.236 99 I CB 0.631 38.640 38.000 0.014 0.000 1.076 99 I HN 0.195 nan 8.210 nan 0.000 0.418 100 V N 2.432 122.353 119.914 0.011 0.000 2.559 100 V HA 0.208 4.321 4.120 -0.012 0.000 0.289 100 V C -0.249 175.845 176.094 0.001 0.000 1.036 100 V CA -0.624 61.678 62.300 0.004 0.000 0.887 100 V CB 1.611 33.434 31.823 0.001 0.000 1.022 100 V HN 0.284 nan 8.190 nan 0.000 0.442 101 E N 3.165 123.369 120.200 0.007 0.000 2.608 101 E HA 0.209 4.552 4.350 -0.012 0.000 0.259 101 E C 1.410 178.002 176.600 -0.013 0.000 0.951 101 E CA 1.374 57.780 56.400 0.009 0.000 0.945 101 E CB 0.473 30.187 29.700 0.024 0.000 0.916 101 E HN 1.180 nan 8.360 nan 0.000 0.477 102 G N 2.426 111.199 108.800 -0.045 0.000 2.196 102 G HA2 -0.308 3.645 3.960 -0.012 0.000 0.268 102 G HA3 -0.308 3.645 3.960 -0.012 0.000 0.268 102 G C 0.646 175.479 174.900 -0.112 0.000 0.975 102 G CA 0.539 45.583 45.100 -0.094 0.000 0.648 102 G HN 0.469 nan 8.290 nan 0.000 0.538 103 V N -1.676 118.189 119.914 -0.081 0.000 3.159 103 V HA 0.678 4.791 4.120 -0.012 0.000 0.234 103 V C 0.336 176.391 176.094 -0.064 0.000 1.313 103 V CA 1.729 63.989 62.300 -0.068 0.000 1.271 103 V CB 0.806 32.609 31.823 -0.033 0.000 1.053 103 V HN 0.460 nan 8.190 nan 0.000 0.476 104 M N -0.427 119.148 119.600 -0.041 0.000 2.414 104 M HA 0.658 5.131 4.480 -0.012 0.000 0.287 104 M C -1.506 174.806 176.300 0.020 0.000 1.181 104 M CA -0.048 55.242 55.300 -0.018 0.000 0.933 104 M CB 2.300 34.900 32.600 -0.000 0.000 1.732 104 M HN 0.034 nan 8.290 nan 0.000 0.486 105 S N 1.410 117.136 115.700 0.044 0.000 2.667 105 S HA 0.980 5.442 4.470 -0.012 0.000 0.292 105 S C -1.358 173.311 174.600 0.115 0.000 1.126 105 S CA -0.581 57.696 58.200 0.128 0.000 0.881 105 S CB 2.074 65.401 63.200 0.213 0.000 1.132 105 S HN 1.150 nan 8.310 nan 0.000 0.492 106 V N -0.429 119.582 119.914 0.163 0.000 2.962 106 V HA 0.870 4.982 4.120 -0.012 0.000 0.313 106 V C -0.969 175.243 176.094 0.197 0.000 1.099 106 V CA -1.078 61.292 62.300 0.117 0.000 0.971 106 V CB 1.306 33.167 31.823 0.064 0.000 1.028 106 V HN 0.963 nan 8.190 nan 0.000 0.430 107 I N -0.204 120.448 120.570 0.138 0.000 2.785 107 I HA 0.648 4.810 4.170 -0.012 0.000 0.302 107 I C -0.491 175.717 176.117 0.152 0.000 1.069 107 I CA -0.826 60.631 61.300 0.261 0.000 1.045 107 I CB 2.113 40.235 38.000 0.204 0.000 1.236 107 I HN 0.903 nan 8.210 nan 0.000 0.429 108 Q N 5.284 125.200 119.800 0.193 0.000 2.267 108 Q HA 0.606 4.939 4.340 -0.012 0.000 0.255 108 Q C -1.004 175.018 176.000 0.038 0.000 0.923 108 Q CA -0.660 55.163 55.803 0.032 0.000 0.925 108 Q CB 1.493 30.212 28.738 -0.031 0.000 1.195 108 Q HN 0.771 nan 8.270 nan 0.000 0.417 109 I N -0.203 120.313 120.570 -0.089 0.000 2.957 109 I HA 0.656 4.819 4.170 -0.012 0.000 0.310 109 I C -1.259 174.736 176.117 -0.204 0.000 1.063 109 I CA -1.197 60.023 61.300 -0.134 0.000 1.033 109 I CB 2.158 39.984 38.000 -0.289 0.000 1.230 109 I HN 0.480 nan 8.210 nan 0.000 0.447 110 K N 2.934 123.227 120.400 -0.179 0.000 2.463 110 K HA 0.446 4.758 4.320 -0.012 0.000 0.255 110 K C -2.079 174.487 176.600 -0.057 0.000 0.942 110 K CA -0.530 55.700 56.287 -0.095 0.000 0.814 110 K CB 1.490 33.972 32.500 -0.031 0.000 1.122 110 K HN 0.678 nan 8.250 nan 0.000 0.425 111 Y N 1.379 121.782 120.300 0.172 0.000 2.334 111 Y HA 0.273 4.817 4.550 -0.011 0.000 0.328 111 Y C 0.262 176.351 175.900 0.315 0.000 1.130 111 Y CA -0.327 57.931 58.100 0.263 0.000 1.163 111 Y CB 2.273 40.938 38.460 0.343 0.000 1.207 111 Y HN 0.424 nan 8.280 nan 0.000 0.471 112 T N 5.455 120.281 114.554 0.454 0.000 2.812 112 T HA 0.603 4.945 4.350 -0.012 0.000 0.282 112 T C -1.116 173.820 174.700 0.392 0.000 0.990 112 T CA -0.571 61.706 62.100 0.295 0.000 0.960 112 T CB 0.312 69.276 68.868 0.159 0.000 0.948 112 T HN 0.496 nan 8.240 nan 0.000 0.438 113 F N 0.000 120.058 119.950 0.180 0.000 2.286 113 F HA 0.000 4.521 4.527 -0.010 0.000 0.279 113 F CA 0.000 58.092 58.000 0.153 0.000 1.383 113 F CB 0.000 39.064 39.000 0.106 0.000 1.145 113 F HN 0.000 nan 8.300 nan 0.000 0.574