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 3cm1_1_C DATA FIRST_RESID 2 DATA SEQUENCE SSSGTSITCE VGLQLIXXXR APVPLVARLD YSVDDPYAIR AAFHVGXDEP DATA SEQUENCE VEWIFARELL TVGIIRETGE GDVRIWPSQD XXERXVNIAL SSXXXXXRFH DATA SEQUENCE AQVAPLSEFL HRTYELVPAG QESDYIDIDA EIAEHL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.724 174.600 0.206 0.000 1.055 2 S CA 0.000 58.303 58.200 0.172 0.000 1.107 2 S CB 0.000 63.270 63.200 0.117 0.000 0.593 3 S N 0.810 116.578 115.700 0.114 0.000 2.600 3 S HA 0.707 5.173 4.470 -0.006 0.000 0.265 3 S C 1.541 176.210 174.600 0.114 0.000 1.325 3 S CA 0.065 58.319 58.200 0.089 0.000 1.002 3 S CB -0.289 62.936 63.200 0.043 0.000 0.921 3 S HN 1.216 nan 8.310 nan 0.000 0.554 4 S N 0.453 116.206 115.700 0.088 0.000 2.419 4 S HA 0.111 4.577 4.470 -0.006 0.000 0.235 4 S C 1.828 176.453 174.600 0.042 0.000 1.019 4 S CA 1.866 60.117 58.200 0.086 0.000 0.982 4 S CB -0.581 62.647 63.200 0.048 0.000 0.789 4 S HN 1.250 nan 8.310 nan 0.000 0.490 5 G N 0.510 109.324 108.800 0.023 0.000 2.985 5 G HA2 0.341 4.298 3.960 -0.006 0.000 0.209 5 G HA3 0.341 4.298 3.960 -0.006 0.000 0.209 5 G C 0.447 175.340 174.900 -0.010 0.000 1.165 5 G CA 0.391 45.492 45.100 0.001 0.000 0.776 5 G HN 0.409 nan 8.290 nan 0.000 0.541 6 T N 0.656 115.206 114.554 -0.008 0.000 2.901 6 T HA 0.470 4.816 4.350 -0.006 0.000 0.301 6 T C -0.086 174.595 174.700 -0.032 0.000 1.012 6 T CA 0.187 62.279 62.100 -0.013 0.000 1.135 6 T CB 1.631 70.496 68.868 -0.005 0.000 0.936 6 T HN 0.085 nan 8.240 nan 0.000 0.539 7 S N 1.693 117.388 115.700 -0.008 0.000 2.537 7 S HA 0.743 5.209 4.470 -0.006 0.000 0.270 7 S C -1.265 173.364 174.600 0.047 0.000 1.142 7 S CA -0.985 57.219 58.200 0.007 0.000 0.870 7 S CB 0.655 63.849 63.200 -0.009 0.000 1.112 7 S HN 0.737 nan 8.310 nan 0.000 0.466 8 I N 0.269 120.900 120.570 0.103 0.000 2.865 8 I HA 0.821 4.987 4.170 -0.006 0.000 0.302 8 I C -0.927 175.347 176.117 0.261 0.000 1.140 8 I CA -0.574 60.807 61.300 0.135 0.000 1.021 8 I CB 2.344 40.384 38.000 0.066 0.000 1.233 8 I HN 0.466 nan 8.210 nan 0.000 0.427 9 T N 3.232 117.930 114.554 0.239 0.000 2.909 9 T HA 0.680 5.027 4.350 -0.006 0.000 0.299 9 T C -0.790 173.994 174.700 0.141 0.000 1.073 9 T CA -0.487 61.722 62.100 0.182 0.000 0.999 9 T CB 1.741 70.648 68.868 0.066 0.000 1.098 9 T HN 1.040 nan 8.240 nan 0.000 0.477 10 C N 0.951 120.229 119.300 -0.037 0.000 3.332 10 C HA 0.843 5.299 4.460 -0.006 0.000 0.329 10 C C -1.441 173.457 174.990 -0.154 0.000 1.434 10 C CA -0.924 58.051 59.018 -0.071 0.000 1.314 10 C CB 1.117 28.849 27.740 -0.013 0.000 1.664 10 C HN 0.916 nan 8.230 nan 0.000 0.457 11 E N 0.428 120.566 120.200 -0.103 0.000 2.212 11 E HA 0.725 5.072 4.350 -0.006 0.000 0.268 11 E C -1.317 175.221 176.600 -0.103 0.000 0.902 11 E CA -0.631 55.707 56.400 -0.103 0.000 0.779 11 E CB 2.351 32.013 29.700 -0.064 0.000 1.172 11 E HN 0.568 nan 8.360 nan 0.000 0.409 12 V N 1.431 121.276 119.914 -0.115 0.000 2.760 12 V HA 0.439 4.555 4.120 -0.006 0.000 0.309 12 V C 0.212 176.251 176.094 -0.092 0.000 1.077 12 V CA -0.939 61.301 62.300 -0.100 0.000 0.910 12 V CB 2.106 33.858 31.823 -0.119 0.000 1.008 12 V HN 0.819 nan 8.190 nan 0.000 0.424 13 G N 3.963 112.721 108.800 -0.071 0.000 2.378 13 G HA2 0.554 4.510 3.960 -0.006 0.000 0.255 13 G HA3 0.554 4.510 3.960 -0.006 0.000 0.255 13 G C -0.814 174.047 174.900 -0.066 0.000 1.270 13 G CA 0.003 45.065 45.100 -0.064 0.000 0.876 13 G HN 0.542 nan 8.290 nan 0.000 0.521 14 L N 0.533 121.719 121.223 -0.061 0.000 2.341 14 L HA 0.851 5.187 4.340 -0.006 0.000 0.254 14 L C 0.211 177.085 176.870 0.008 0.000 1.040 14 L CA -1.045 53.774 54.840 -0.034 0.000 0.837 14 L CB 2.184 44.198 42.059 -0.075 0.000 1.425 14 L HN 0.669 nan 8.230 nan 0.000 0.414 15 Q N 1.477 121.314 119.800 0.061 0.000 2.347 15 Q HA 0.589 4.926 4.340 -0.006 0.000 0.271 15 Q C -1.422 174.581 176.000 0.006 0.000 1.064 15 Q CA -0.711 55.116 55.803 0.041 0.000 0.800 15 Q CB 2.408 31.178 28.738 0.054 0.000 1.304 15 Q HN 0.483 nan 8.270 nan 0.000 0.438 16 L N 2.724 123.886 121.223 -0.102 0.000 2.261 16 L HA 0.832 5.168 4.340 -0.006 0.000 0.289 16 L C 0.196 176.904 176.870 -0.270 0.000 1.059 16 L CA -0.309 54.296 54.840 -0.390 0.000 0.816 16 L CB 0.353 42.187 42.059 -0.375 0.000 1.191 16 L HN 0.994 nan 8.230 nan 0.000 0.431 22 A N 0.835 123.634 122.820 -0.035 0.000 2.574 22 A HA 0.904 5.221 4.320 -0.006 0.000 0.297 22 A C -2.900 174.656 177.584 -0.046 0.000 1.062 22 A CA -1.319 50.696 52.037 -0.036 0.000 0.686 22 A CB 1.671 20.656 19.000 -0.025 0.000 1.285 22 A HN 0.781 nan 8.150 nan 0.000 0.403 23 P HA 0.387 nan 4.420 nan 0.000 0.268 23 P C -0.780 176.496 177.300 -0.040 0.000 1.204 23 P CA 0.003 63.069 63.100 -0.057 0.000 0.768 23 P CB 0.770 32.439 31.700 -0.052 0.000 0.842 24 V N 5.830 125.717 119.914 -0.045 0.000 2.409 24 V HA 0.331 4.447 4.120 -0.006 0.000 0.291 24 V C -2.000 174.081 176.094 -0.022 0.000 1.020 24 V CA -1.801 60.482 62.300 -0.029 0.000 0.848 24 V CB 1.580 33.388 31.823 -0.026 0.000 0.990 24 V HN 0.587 nan 8.190 nan 0.000 0.430 25 P HA 0.544 nan 4.420 nan 0.000 0.278 25 P C -1.246 176.035 177.300 -0.030 0.000 1.238 25 P CA -0.298 62.790 63.100 -0.019 0.000 0.794 25 P CB 1.613 33.303 31.700 -0.017 0.000 0.955 26 L N 0.741 121.936 121.223 -0.047 0.000 2.582 26 L HA 0.685 5.022 4.340 -0.006 0.000 0.257 26 L C -1.269 175.533 176.870 -0.114 0.000 0.974 26 L CA -1.238 53.550 54.840 -0.087 0.000 0.851 26 L CB 1.397 43.401 42.059 -0.090 0.000 1.424 26 L HN 0.150 nan 8.230 nan 0.000 0.412 27 V N 1.291 121.116 119.914 -0.149 0.000 2.435 27 V HA 0.942 5.059 4.120 -0.006 0.000 0.290 27 V C 0.076 176.084 176.094 -0.144 0.000 1.030 27 V CA 0.275 62.494 62.300 -0.135 0.000 0.881 27 V CB 1.348 33.105 31.823 -0.110 0.000 0.983 27 V HN 1.302 nan 8.190 nan 0.000 0.445 28 A N 6.825 129.570 122.820 -0.126 0.000 2.337 28 A HA 0.757 5.074 4.320 -0.006 0.000 0.329 28 A C -0.211 177.306 177.584 -0.112 0.000 1.146 28 A CA -0.836 51.144 52.037 -0.094 0.000 0.800 28 A CB 0.952 19.873 19.000 -0.132 0.000 1.220 28 A HN 0.872 nan 8.150 nan 0.000 0.472 29 R N 3.158 123.595 120.500 -0.104 0.000 2.215 29 R HA 0.521 4.858 4.340 -0.006 0.000 0.336 29 R C -1.406 174.787 176.300 -0.179 0.000 0.996 29 R CA -0.329 55.693 56.100 -0.129 0.000 0.847 29 R CB 0.296 30.546 30.300 -0.084 0.000 1.127 29 R HN 0.750 nan 8.270 nan 0.000 0.465 30 L N 4.491 125.542 121.223 -0.287 0.000 2.307 30 L HA 0.426 4.762 4.340 -0.006 0.000 0.282 30 L C -0.547 176.151 176.870 -0.287 0.000 1.051 30 L CA -0.590 54.015 54.840 -0.393 0.000 0.804 30 L CB 1.594 43.157 42.059 -0.825 0.000 1.197 30 L HN 0.747 nan 8.230 nan 0.000 0.431 31 D N 0.723 121.097 120.400 -0.043 0.000 2.661 31 D HA 0.443 5.079 4.640 -0.006 0.000 0.228 31 D C -1.337 175.150 176.300 0.312 0.000 1.210 31 D CA -0.594 53.524 54.000 0.198 0.000 0.826 31 D CB 1.592 42.442 40.800 0.083 0.000 1.542 31 D HN 0.328 nan 8.370 nan 0.000 0.447 32 Y N 0.249 120.663 120.300 0.190 0.000 2.457 32 Y HA 0.618 5.164 4.550 -0.007 0.000 0.343 32 Y C -1.427 174.448 175.900 -0.041 0.000 0.994 32 Y CA -0.690 57.432 58.100 0.037 0.000 1.031 32 Y CB 2.288 40.702 38.460 -0.076 0.000 1.246 32 Y HN 0.600 nan 8.280 nan 0.000 0.449 33 S N 4.796 120.108 115.700 -0.648 0.000 2.532 33 S HA 0.360 4.826 4.470 -0.006 0.000 0.299 33 S C 0.554 174.727 174.600 -0.712 0.000 1.105 33 S CA -0.204 57.715 58.200 -0.469 0.000 1.018 33 S CB 1.122 64.165 63.200 -0.261 0.000 1.021 33 S HN 1.178 nan 8.310 nan 0.000 0.483 34 V N 1.513 121.161 119.914 -0.444 0.000 2.594 34 V HA -0.027 4.090 4.120 -0.006 0.000 0.253 34 V C 1.427 177.342 176.094 -0.297 0.000 1.069 34 V CA 1.928 63.948 62.300 -0.468 0.000 1.082 34 V CB -0.780 30.754 31.823 -0.481 0.000 0.680 34 V HN 0.798 nan 8.190 nan 0.000 0.469 35 D N 0.497 120.791 120.400 -0.177 0.000 2.310 35 D HA -0.029 4.607 4.640 -0.006 0.000 0.212 35 D C 0.843 177.083 176.300 -0.100 0.000 0.965 35 D CA 1.610 55.565 54.000 -0.075 0.000 0.879 35 D CB -0.119 40.648 40.800 -0.055 0.000 0.921 35 D HN 0.672 nan 8.370 nan 0.000 0.510 36 D N -0.678 119.593 120.400 -0.215 0.000 2.739 36 D HA 0.094 4.731 4.640 -0.006 0.000 0.335 36 D C -1.885 174.251 176.300 -0.274 0.000 1.216 36 D CA -1.720 52.179 54.000 -0.168 0.000 0.808 36 D CB 0.974 41.684 40.800 -0.150 0.000 1.121 36 D HN -0.068 nan 8.370 nan 0.000 0.499 37 P HA -0.106 nan 4.420 nan 0.000 0.225 37 P C 0.705 177.921 177.300 -0.141 0.000 1.148 37 P CA 0.668 63.587 63.100 -0.303 0.000 0.779 37 P CB 0.052 31.568 31.700 -0.307 0.000 0.780 38 Y N -0.349 119.988 120.300 0.062 0.000 2.462 38 Y HA 0.408 4.955 4.550 -0.005 0.000 0.261 38 Y C 1.579 177.562 175.900 0.138 0.000 1.146 38 Y CA -0.273 57.900 58.100 0.121 0.000 1.283 38 Y CB -0.117 38.400 38.460 0.096 0.000 1.090 38 Y HN -0.081 nan 8.280 nan 0.000 0.526 39 A N 0.493 123.434 122.820 0.202 0.000 2.311 39 A HA 0.760 5.076 4.320 -0.006 0.000 0.334 39 A C -0.733 176.950 177.584 0.166 0.000 1.139 39 A CA -0.540 51.584 52.037 0.146 0.000 0.830 39 A CB 0.806 19.831 19.000 0.041 0.000 1.234 39 A HN 0.165 nan 8.150 nan 0.000 0.483 40 I N 0.883 121.513 120.570 0.101 0.000 2.533 40 I HA 0.372 4.538 4.170 -0.006 0.000 0.290 40 I C -0.108 175.865 176.117 -0.240 0.000 1.056 40 I CA -0.502 60.837 61.300 0.065 0.000 1.057 40 I CB 2.241 40.364 38.000 0.205 0.000 1.240 40 I HN 0.738 nan 8.210 nan 0.000 0.423 41 R N 3.516 123.922 120.500 -0.156 0.000 2.486 41 R HA 0.793 5.129 4.340 -0.006 0.000 0.286 41 R C -0.652 175.500 176.300 -0.246 0.000 0.999 41 R CA -0.455 55.514 56.100 -0.219 0.000 0.993 41 R CB 1.842 32.066 30.300 -0.126 0.000 1.084 41 R HN 0.714 nan 8.270 nan 0.000 0.487 42 A N 1.318 123.984 122.820 -0.257 0.000 2.359 42 A HA 0.770 5.086 4.320 -0.006 0.000 0.303 42 A C -1.341 176.068 177.584 -0.291 0.000 1.066 42 A CA -0.571 51.348 52.037 -0.196 0.000 0.730 42 A CB 1.742 20.699 19.000 -0.071 0.000 1.211 42 A HN 0.712 nan 8.150 nan 0.000 0.439 43 A N 2.029 124.682 122.820 -0.279 0.000 2.393 43 A HA 0.966 5.282 4.320 -0.006 0.000 0.306 43 A C -0.800 176.605 177.584 -0.299 0.000 1.050 43 A CA -0.514 51.270 52.037 -0.421 0.000 0.724 43 A CB 0.656 19.510 19.000 -0.243 0.000 1.248 43 A HN 1.885 nan 8.150 nan 0.000 0.424 44 F N -0.094 119.723 119.950 -0.221 0.000 2.779 44 F HA 0.867 5.390 4.527 -0.008 0.000 0.316 44 F C -0.622 175.154 175.800 -0.040 0.000 1.164 44 F CA -0.919 56.948 58.000 -0.221 0.000 0.924 44 F CB 1.157 39.921 39.000 -0.394 0.000 1.348 44 F HN 0.788 nan 8.300 nan 0.000 0.467 45 H N -0.629 118.564 119.070 0.205 0.000 3.037 45 H HA 0.838 5.390 4.556 -0.006 0.000 0.355 45 H C -1.912 173.500 175.328 0.139 0.000 1.263 45 H CA -1.032 55.101 56.048 0.143 0.000 1.129 45 H CB 0.954 30.737 29.762 0.036 0.000 1.861 45 H HN 1.252 nan 8.280 nan 0.000 0.546 46 V N 0.086 120.135 119.914 0.224 0.000 2.525 46 V HA 0.672 4.788 4.120 -0.006 0.000 0.299 46 V C 0.741 176.913 176.094 0.130 0.000 1.034 46 V CA -0.030 62.351 62.300 0.135 0.000 0.863 46 V CB 1.043 32.941 31.823 0.125 0.000 0.999 46 V HN 1.425 nan 8.190 nan 0.000 0.423 50 E N 1.260 121.473 120.200 0.023 0.000 2.425 50 E HA 0.586 4.932 4.350 -0.006 0.000 0.258 50 E C -1.860 174.729 176.600 -0.018 0.000 1.151 50 E CA -0.544 55.843 56.400 -0.022 0.000 0.958 50 E CB -0.737 28.942 29.700 -0.034 0.000 0.968 50 E HN 0.601 nan 8.360 nan 0.000 0.451 51 P HA 0.327 nan 4.420 nan 0.000 0.270 51 P C -0.802 176.416 177.300 -0.137 0.000 1.227 51 P CA -0.282 62.767 63.100 -0.085 0.000 0.788 51 P CB 0.751 32.366 31.700 -0.142 0.000 0.926 52 V N 0.300 120.025 119.914 -0.315 0.000 2.808 52 V HA 0.294 4.410 4.120 -0.006 0.000 0.308 52 V C -1.049 174.675 176.094 -0.616 0.000 1.099 52 V CA -0.656 61.426 62.300 -0.363 0.000 0.920 52 V CB 1.889 33.571 31.823 -0.235 0.000 1.014 52 V HN 0.556 nan 8.190 nan 0.000 0.425 53 E N 5.725 125.740 120.200 -0.307 0.000 2.151 53 E HA 0.369 4.715 4.350 -0.006 0.000 0.275 53 E C -1.659 174.958 176.600 0.028 0.000 0.936 53 E CA -0.649 55.602 56.400 -0.249 0.000 0.777 53 E CB 0.956 30.573 29.700 -0.139 0.000 1.108 53 E HN 0.633 nan 8.360 nan 0.000 0.401 54 W N 4.543 125.716 121.300 -0.212 0.000 2.570 54 W HA 0.508 5.167 4.660 -0.001 0.000 0.337 54 W C -0.164 176.211 176.519 -0.240 0.000 1.067 54 W CA -0.945 56.338 57.345 -0.104 0.000 1.229 54 W CB 0.657 30.160 29.460 0.071 0.000 1.355 54 W HN 0.384 nan 8.180 nan 0.000 0.555 55 I N 4.539 125.132 120.570 0.038 0.000 2.466 55 I HA 0.415 4.581 4.170 -0.006 0.000 0.289 55 I C -0.858 175.231 176.117 -0.048 0.000 1.026 55 I CA -0.867 60.344 61.300 -0.148 0.000 1.078 55 I CB 1.027 38.996 38.000 -0.051 0.000 1.249 55 I HN 0.175 nan 8.210 nan 0.000 0.429 56 F N 3.485 123.517 119.950 0.136 0.000 2.664 56 F HA 0.865 5.388 4.527 -0.006 0.000 0.317 56 F C -0.077 175.800 175.800 0.128 0.000 1.108 56 F CA -1.737 56.332 58.000 0.115 0.000 0.957 56 F CB 0.600 39.671 39.000 0.120 0.000 1.365 56 F HN 0.401 nan 8.300 nan 0.000 0.475 57 A N 1.596 124.672 122.820 0.427 0.000 2.524 57 A HA 0.264 4.580 4.320 -0.006 0.000 0.250 57 A C 1.615 179.433 177.584 0.390 0.000 1.078 57 A CA 0.180 52.412 52.037 0.325 0.000 0.761 57 A CB -0.100 19.028 19.000 0.214 0.000 1.012 57 A HN 1.015 nan 8.150 nan 0.000 0.500 58 R N 1.741 122.447 120.500 0.344 0.000 2.096 58 R HA -0.253 4.083 4.340 -0.006 0.000 0.240 58 R C 1.818 178.272 176.300 0.258 0.000 1.139 58 R CA 2.454 58.728 56.100 0.290 0.000 0.952 58 R CB -0.278 30.132 30.300 0.184 0.000 0.854 58 R HN 0.929 nan 8.270 nan 0.000 0.436 59 E N 0.390 120.744 120.200 0.257 0.000 2.204 59 E HA -0.209 4.137 4.350 -0.006 0.000 0.195 59 E C 1.832 178.528 176.600 0.161 0.000 0.990 59 E CA 1.170 57.705 56.400 0.225 0.000 0.821 59 E CB -0.539 29.283 29.700 0.205 0.000 0.750 59 E HN 0.392 nan 8.360 nan 0.000 0.477 60 L N -0.336 120.973 121.223 0.143 0.000 2.093 60 L HA 0.014 4.351 4.340 -0.006 0.000 0.208 60 L C 2.120 179.009 176.870 0.032 0.000 1.085 60 L CA 1.274 56.155 54.840 0.069 0.000 0.755 60 L CB -0.457 41.621 42.059 0.032 0.000 0.904 60 L HN 0.335 nan 8.230 nan 0.000 0.435 61 L N -1.532 119.725 121.223 0.057 0.000 2.095 61 L HA -0.102 4.234 4.340 -0.006 0.000 0.204 61 L C 2.324 179.250 176.870 0.094 0.000 1.080 61 L CA 1.930 56.798 54.840 0.046 0.000 0.759 61 L CB -0.898 41.239 42.059 0.130 0.000 0.914 61 L HN 0.214 nan 8.230 nan 0.000 0.439 62 T N -1.193 113.449 114.554 0.147 0.000 2.746 62 T HA -0.156 4.191 4.350 -0.006 0.000 0.267 62 T C 1.935 176.694 174.700 0.098 0.000 1.039 62 T CA 1.704 63.897 62.100 0.155 0.000 1.142 62 T CB -0.207 68.799 68.868 0.230 0.000 0.866 62 T HN 0.171 nan 8.240 nan 0.000 0.444 63 V N 1.074 121.040 119.914 0.087 0.000 2.379 63 V HA -0.016 4.100 4.120 -0.006 0.000 0.245 63 V C 2.858 178.988 176.094 0.060 0.000 1.044 63 V CA 1.832 64.171 62.300 0.066 0.000 1.036 63 V CB -1.212 30.649 31.823 0.064 0.000 0.664 63 V HN 0.569 nan 8.190 nan 0.000 0.453 64 G N -0.216 108.616 108.800 0.055 0.000 2.462 64 G HA2 -0.211 3.746 3.960 -0.006 0.000 0.220 64 G HA3 -0.211 3.746 3.960 -0.006 0.000 0.220 64 G C 1.528 176.453 174.900 0.042 0.000 1.121 64 G CA 0.776 45.908 45.100 0.053 0.000 0.758 64 G HN 0.511 nan 8.290 nan 0.000 0.559 65 I N 0.477 121.068 120.570 0.034 0.000 2.546 65 I HA -0.078 4.089 4.170 -0.006 0.000 0.255 65 I C 2.108 178.245 176.117 0.033 0.000 1.163 65 I CA 0.423 61.737 61.300 0.023 0.000 1.457 65 I CB 0.021 38.041 38.000 0.032 0.000 1.092 65 I HN 0.098 nan 8.210 nan 0.000 0.434 66 I N 0.538 121.135 120.570 0.044 0.000 2.628 66 I HA 0.049 4.215 4.170 -0.006 0.000 0.255 66 I C 1.083 177.234 176.117 0.056 0.000 1.119 66 I CA 0.950 62.276 61.300 0.043 0.000 1.448 66 I CB -0.693 37.329 38.000 0.037 0.000 1.133 66 I HN 0.292 nan 8.210 nan 0.000 0.438 67 R N 0.465 121.007 120.500 0.070 0.000 2.716 67 R HA 0.355 4.691 4.340 -0.006 0.000 0.271 67 R C -0.400 175.969 176.300 0.115 0.000 1.028 67 R CA -0.728 55.423 56.100 0.085 0.000 0.883 67 R CB 1.442 31.778 30.300 0.060 0.000 1.250 67 R HN -0.078 nan 8.270 nan 0.000 0.465 68 E N 1.419 121.699 120.200 0.134 0.000 2.480 68 E HA 0.046 4.393 4.350 -0.006 0.000 0.258 68 E C -1.060 175.599 176.600 0.099 0.000 0.984 68 E CA 0.883 57.377 56.400 0.156 0.000 0.930 68 E CB 0.846 30.591 29.700 0.075 0.000 0.936 68 E HN 0.546 nan 8.360 nan 0.000 0.466 69 T N 1.707 116.329 114.554 0.114 0.000 2.731 69 T HA 0.759 5.105 4.350 -0.006 0.000 0.300 69 T C -1.049 173.694 174.700 0.072 0.000 1.283 69 T CA 0.128 62.271 62.100 0.071 0.000 1.005 69 T CB 1.696 70.600 68.868 0.061 0.000 1.420 69 T HN 0.642 nan 8.240 nan 0.000 0.503 70 G N 0.503 109.329 108.800 0.043 0.000 2.489 70 G HA2 0.536 4.493 3.960 -0.006 0.000 0.291 70 G HA3 0.536 4.493 3.960 -0.006 0.000 0.291 70 G C -2.051 172.861 174.900 0.020 0.000 1.487 70 G CA -0.467 44.653 45.100 0.033 0.000 0.795 70 G HN 0.717 nan 8.290 nan 0.000 0.513 71 E N 0.016 120.224 120.200 0.014 0.000 2.317 71 E HA 0.490 4.837 4.350 -0.006 0.000 0.270 71 E C 0.823 177.427 176.600 0.006 0.000 0.899 71 E CA 0.350 56.758 56.400 0.015 0.000 0.814 71 E CB 1.064 30.781 29.700 0.028 0.000 1.296 71 E HN 1.921 nan 8.360 nan 0.000 0.404 72 G N 5.055 113.856 108.800 0.002 0.000 2.620 72 G HA2 -0.407 3.550 3.960 -0.006 0.000 0.315 72 G HA3 -0.407 3.550 3.960 -0.006 0.000 0.315 72 G C 0.703 175.595 174.900 -0.013 0.000 1.179 72 G CA 0.714 45.811 45.100 -0.005 0.000 0.971 72 G HN 0.642 nan 8.290 nan 0.000 0.544 73 D N 0.357 120.741 120.400 -0.026 0.000 2.240 73 D HA 0.215 4.851 4.640 -0.006 0.000 0.206 73 D C 1.598 177.869 176.300 -0.048 0.000 0.963 73 D CA 0.778 54.753 54.000 -0.041 0.000 0.863 73 D CB -0.029 40.729 40.800 -0.071 0.000 0.973 73 D HN 0.343 nan 8.370 nan 0.000 0.501 74 V N 1.748 121.628 119.914 -0.056 0.000 2.715 74 V HA 0.211 4.327 4.120 -0.006 0.000 0.299 74 V C 0.623 176.723 176.094 0.011 0.000 1.054 74 V CA 0.047 62.313 62.300 -0.056 0.000 1.077 74 V CB 1.248 33.026 31.823 -0.076 0.000 0.972 74 V HN 0.010 nan 8.190 nan 0.000 0.484 75 R N 3.871 124.418 120.500 0.080 0.000 2.515 75 R HA 0.576 4.912 4.340 -0.006 0.000 0.291 75 R C -1.592 174.897 176.300 0.315 0.000 1.046 75 R CA -0.534 55.677 56.100 0.185 0.000 0.914 75 R CB 1.966 32.392 30.300 0.209 0.000 1.191 75 R HN 0.600 nan 8.270 nan 0.000 0.435 76 I N 3.411 124.136 120.570 0.258 0.000 2.509 76 I HA 0.562 4.728 4.170 -0.006 0.000 0.293 76 I C -0.840 175.495 176.117 0.364 0.000 1.020 76 I CA -0.521 60.893 61.300 0.190 0.000 1.088 76 I CB 1.498 39.498 38.000 -0.000 0.000 1.267 76 I HN 0.566 nan 8.210 nan 0.000 0.430 77 W N 6.712 128.020 121.300 0.013 0.000 3.296 77 W HA 0.754 5.413 4.660 -0.001 0.000 0.314 77 W C -3.282 173.252 176.519 0.026 0.000 1.238 77 W CA -1.835 55.521 57.345 0.017 0.000 1.193 77 W CB 0.589 30.060 29.460 0.019 0.000 1.383 77 W HN 0.107 nan 8.180 nan 0.000 0.545 78 P HA 0.479 nan 4.420 nan 0.000 0.278 78 P C -0.577 176.782 177.300 0.097 0.000 1.266 78 P CA -0.142 62.975 63.100 0.028 0.000 0.807 78 P CB 2.020 33.757 31.700 0.061 0.000 1.094 79 S N -0.803 114.921 115.700 0.040 0.000 2.611 79 S HA 0.437 4.903 4.470 -0.006 0.000 0.268 79 S C -1.203 173.434 174.600 0.061 0.000 1.156 79 S CA -0.866 57.392 58.200 0.098 0.000 0.817 79 S CB 1.377 64.667 63.200 0.149 0.000 1.122 79 S HN 0.349 nan 8.310 nan 0.000 0.466 80 Q N 0.241 120.088 119.800 0.078 0.000 2.301 80 Q HA 0.768 5.104 4.340 -0.006 0.000 0.267 80 Q C -0.301 175.740 176.000 0.069 0.000 1.035 80 Q CA 0.095 55.931 55.803 0.055 0.000 0.856 80 Q CB 1.629 30.396 28.738 0.048 0.000 1.337 80 Q HN 1.042 nan 8.270 nan 0.000 0.450 88 N N 3.854 122.227 118.700 -0.545 0.000 2.354 88 N HA 0.746 5.482 4.740 -0.006 0.000 0.287 88 N C -1.181 173.922 175.510 -0.677 0.000 1.016 88 N CA -0.354 52.231 53.050 -0.775 0.000 0.871 88 N CB 2.762 40.275 38.487 -1.623 0.000 1.299 88 N HN 0.625 nan 8.380 nan 0.000 0.482 89 I N 0.803 121.215 120.570 -0.263 0.000 2.509 89 I HA 0.595 4.762 4.170 -0.006 0.000 0.293 89 I C -0.245 176.003 176.117 0.220 0.000 1.020 89 I CA -0.961 60.349 61.300 0.017 0.000 1.088 89 I CB 2.001 40.105 38.000 0.172 0.000 1.267 89 I HN 0.475 nan 8.210 nan 0.000 0.430 90 A N 6.415 129.403 122.820 0.279 0.000 3.007 90 A HA 0.484 4.800 4.320 -0.006 0.000 0.314 90 A C -0.920 176.770 177.584 0.177 0.000 1.153 90 A CA -0.372 51.856 52.037 0.317 0.000 0.780 90 A CB 0.441 19.708 19.000 0.445 0.000 1.258 90 A HN 0.576 nan 8.150 nan 0.000 0.460 91 L N 1.181 122.445 121.223 0.067 0.000 2.467 91 L HA 0.526 4.862 4.340 -0.006 0.000 0.270 91 L C 0.404 177.274 176.870 -0.001 0.000 1.205 91 L CA 1.118 55.868 54.840 -0.151 0.000 0.828 91 L CB 1.174 42.853 42.059 -0.634 0.000 1.101 91 L HN 0.514 nan 8.230 nan 0.000 0.479 92 S N 1.851 117.533 115.700 -0.030 0.000 2.542 92 S HA 0.974 5.440 4.470 -0.006 0.000 0.293 92 S C -0.428 174.179 174.600 0.012 0.000 1.089 92 S CA 0.055 58.264 58.200 0.014 0.000 0.961 92 S CB 1.640 64.847 63.200 0.011 0.000 1.062 92 S HN 1.064 nan 8.310 nan 0.000 0.483 100 F N 1.382 121.342 119.950 0.016 0.000 2.458 100 F HA 0.416 4.938 4.527 -0.007 0.000 0.330 100 F C 0.442 176.213 175.800 -0.048 0.000 1.082 100 F CA -0.659 57.309 58.000 -0.052 0.000 0.995 100 F CB 1.417 40.346 39.000 -0.117 0.000 1.170 100 F HN 0.384 nan 8.300 nan 0.000 0.478 101 H N 1.325 120.391 119.070 -0.008 0.000 2.744 101 H HA 0.781 5.333 4.556 -0.006 0.000 0.339 101 H C -1.481 173.818 175.328 -0.049 0.000 1.004 101 H CA -0.530 55.469 56.048 -0.081 0.000 1.257 101 H CB 1.187 30.895 29.762 -0.090 0.000 1.552 101 H HN 0.805 nan 8.280 nan 0.000 0.522 102 A N 4.101 126.731 122.820 -0.318 0.000 2.556 102 A HA 0.461 4.777 4.320 -0.006 0.000 0.294 102 A C -0.942 176.479 177.584 -0.272 0.000 1.091 102 A CA -0.962 50.938 52.037 -0.230 0.000 0.704 102 A CB 1.582 20.508 19.000 -0.123 0.000 1.300 102 A HN 0.747 nan 8.150 nan 0.000 0.406 103 Q N 0.157 119.851 119.800 -0.177 0.000 2.373 103 Q HA 0.294 4.631 4.340 -0.006 0.000 0.255 103 Q C 0.833 176.777 176.000 -0.094 0.000 0.980 103 Q CA -0.313 55.411 55.803 -0.132 0.000 0.882 103 Q CB 1.268 29.957 28.738 -0.082 0.000 1.249 103 Q HN 0.499 nan 8.270 nan 0.000 0.438 104 V N 1.777 121.647 119.914 -0.074 0.000 2.407 104 V HA -0.242 3.875 4.120 -0.006 0.000 0.245 104 V C 1.913 178.000 176.094 -0.012 0.000 1.041 104 V CA 2.018 64.295 62.300 -0.040 0.000 1.040 104 V CB -0.920 30.884 31.823 -0.032 0.000 0.671 104 V HN 0.974 nan 8.190 nan 0.000 0.455 105 A N 1.042 123.853 122.820 -0.016 0.000 1.881 105 A HA -0.220 4.096 4.320 -0.006 0.000 0.219 105 A C 0.611 178.203 177.584 0.014 0.000 1.215 105 A CA 2.647 54.682 52.037 -0.003 0.000 0.648 105 A CB -2.129 16.864 19.000 -0.011 0.000 0.832 105 A HN 0.556 nan 8.150 nan 0.000 0.455 106 P HA -0.091 nan 4.420 nan 0.000 0.216 106 P C 1.565 178.905 177.300 0.068 0.000 1.153 106 P CA 0.813 63.929 63.100 0.027 0.000 0.848 106 P CB -0.166 31.531 31.700 -0.006 0.000 0.787 107 L N -0.873 120.382 121.223 0.053 0.000 2.017 107 L HA -0.174 4.162 4.340 -0.006 0.000 0.208 107 L C 2.657 179.623 176.870 0.161 0.000 1.073 107 L CA 1.836 56.740 54.840 0.106 0.000 0.745 107 L CB -1.163 40.936 42.059 0.067 0.000 0.894 107 L HN 0.077 nan 8.230 nan 0.000 0.432 108 S N -0.157 115.606 115.700 0.105 0.000 2.359 108 S HA -0.270 4.197 4.470 -0.006 0.000 0.224 108 S C 1.922 176.600 174.600 0.131 0.000 1.035 108 S CA 1.914 60.179 58.200 0.109 0.000 1.018 108 S CB -0.135 63.101 63.200 0.061 0.000 0.876 108 S HN 0.424 nan 8.310 nan 0.000 0.448 109 E N 0.419 120.685 120.200 0.110 0.000 2.085 109 E HA -0.151 4.196 4.350 -0.006 0.000 0.194 109 E C 1.713 178.409 176.600 0.161 0.000 0.994 109 E CA 1.638 58.106 56.400 0.112 0.000 0.801 109 E CB -0.777 28.969 29.700 0.077 0.000 0.743 109 E HN 0.634 nan 8.360 nan 0.000 0.453 110 F N 0.462 120.430 119.950 0.029 0.000 2.102 110 F HA -0.109 4.415 4.527 -0.006 0.000 0.298 110 F C 1.891 177.663 175.800 -0.046 0.000 1.105 110 F CA 1.463 59.461 58.000 -0.003 0.000 1.239 110 F CB -0.309 38.687 39.000 -0.006 0.000 0.991 110 F HN 0.053 nan 8.300 nan 0.000 0.474 111 L N -0.423 120.806 121.223 0.010 0.000 2.042 111 L HA -0.274 4.062 4.340 -0.006 0.000 0.210 111 L C 2.550 179.338 176.870 -0.136 0.000 1.076 111 L CA 1.876 56.621 54.840 -0.159 0.000 0.749 111 L CB -1.032 41.086 42.059 0.098 0.000 0.893 111 L HN 0.281 nan 8.230 nan 0.000 0.432 112 H N 0.264 119.317 119.070 -0.028 0.000 2.319 112 H HA -0.154 4.398 4.556 -0.006 0.000 0.299 112 H C 2.439 177.706 175.328 -0.102 0.000 1.092 112 H CA 1.774 57.835 56.048 0.021 0.000 1.302 112 H CB 0.117 29.891 29.762 0.020 0.000 1.373 112 H HN 0.089 nan 8.280 nan 0.000 0.497 113 R N -0.561 119.838 120.500 -0.168 0.000 2.091 113 R HA -0.133 4.203 4.340 -0.006 0.000 0.238 113 R C 2.554 178.573 176.300 -0.469 0.000 1.136 113 R CA 1.851 57.783 56.100 -0.280 0.000 0.959 113 R CB -0.580 29.583 30.300 -0.229 0.000 0.856 113 R HN 0.626 nan 8.270 nan 0.000 0.437 114 T N -1.543 112.565 114.554 -0.744 0.000 2.746 114 T HA -0.169 4.177 4.350 -0.006 0.000 0.267 114 T C 1.789 175.998 174.700 -0.817 0.000 1.039 114 T CA 1.087 62.550 62.100 -1.062 0.000 1.142 114 T CB -0.485 67.381 68.868 -1.669 0.000 0.866 114 T HN 0.189 nan 8.240 nan 0.000 0.444 115 Y N 2.105 122.114 120.300 -0.484 0.000 2.352 115 Y HA 0.120 4.666 4.550 -0.007 0.000 0.292 115 Y C 2.620 178.332 175.900 -0.314 0.000 1.136 115 Y CA 0.593 58.486 58.100 -0.345 0.000 1.227 115 Y CB -0.509 37.793 38.460 -0.264 0.000 0.991 115 Y HN 0.422 nan 8.280 nan 0.000 0.545 116 E N -0.097 119.951 120.200 -0.254 0.000 2.106 116 E HA -0.156 4.191 4.350 -0.006 0.000 0.192 116 E C 2.039 178.555 176.600 -0.141 0.000 0.984 116 E CA 1.073 57.347 56.400 -0.209 0.000 0.806 116 E CB -0.248 29.308 29.700 -0.240 0.000 0.750 116 E HN 0.443 nan 8.360 nan 0.000 0.458 117 L N 0.170 121.285 121.223 -0.181 0.000 2.044 117 L HA -0.047 4.290 4.340 -0.006 0.000 0.205 117 L C 0.705 177.497 176.870 -0.130 0.000 1.075 117 L CA 0.644 55.404 54.840 -0.133 0.000 0.747 117 L CB 0.233 42.213 42.059 -0.131 0.000 0.903 117 L HN -0.085 nan 8.230 nan 0.000 0.435 118 V N 0.298 120.112 119.914 -0.167 0.000 2.385 118 V HA 0.297 4.414 4.120 -0.006 0.000 0.277 118 V C -2.387 173.703 176.094 -0.007 0.000 1.012 118 V CA -1.467 60.762 62.300 -0.118 0.000 0.832 118 V CB 1.191 32.889 31.823 -0.207 0.000 1.028 118 V HN -0.043 nan 8.190 nan 0.000 0.436 119 P HA 0.153 nan 4.420 nan 0.000 0.267 119 P C 0.032 177.422 177.300 0.150 0.000 1.200 119 P CA 0.124 63.290 63.100 0.110 0.000 0.772 119 P CB 0.603 32.331 31.700 0.045 0.000 0.855 120 A N 2.603 125.524 122.820 0.168 0.000 2.548 120 A HA 0.406 4.722 4.320 -0.006 0.000 0.247 120 A C 1.512 179.146 177.584 0.084 0.000 1.067 120 A CA 0.898 53.022 52.037 0.144 0.000 0.757 120 A CB -1.494 17.500 19.000 -0.010 0.000 0.996 120 A HN 0.872 nan 8.150 nan 0.000 0.504 121 G N 1.502 110.370 108.800 0.112 0.000 2.194 121 G HA2 -0.233 3.723 3.960 -0.006 0.000 0.236 121 G HA3 -0.233 3.723 3.960 -0.006 0.000 0.236 121 G C 0.476 175.430 174.900 0.089 0.000 0.987 121 G CA 0.582 45.742 45.100 0.100 0.000 0.635 121 G HN 0.790 nan 8.290 nan 0.000 0.520 122 Q N -0.402 119.449 119.800 0.086 0.000 2.172 122 Q HA 0.329 4.665 4.340 -0.006 0.000 0.217 122 Q C 1.577 177.657 176.000 0.134 0.000 0.832 122 Q CA 0.076 55.940 55.803 0.102 0.000 1.010 122 Q CB 0.413 29.223 28.738 0.120 0.000 1.133 122 Q HN 0.556 nan 8.270 nan 0.000 0.489 123 E N 0.047 120.260 120.200 0.022 0.000 2.153 123 E HA -0.146 4.200 4.350 -0.006 0.000 0.194 123 E C 1.692 178.308 176.600 0.028 0.000 0.988 123 E CA 1.074 57.403 56.400 -0.118 0.000 0.811 123 E CB 0.079 29.292 29.700 -0.812 0.000 0.746 123 E HN 0.099 nan 8.360 nan 0.000 0.466 124 S N 0.870 116.617 115.700 0.078 0.000 2.387 124 S HA -0.207 4.259 4.470 -0.006 0.000 0.230 124 S C 1.346 175.968 174.600 0.037 0.000 1.035 124 S CA 1.388 59.645 58.200 0.094 0.000 1.014 124 S CB -0.334 62.919 63.200 0.088 0.000 0.836 124 S HN 0.338 nan 8.310 nan 0.000 0.466 125 D N -0.103 120.286 120.400 -0.019 0.000 2.144 125 D HA -0.103 4.533 4.640 -0.006 0.000 0.199 125 D C 1.516 177.631 176.300 -0.308 0.000 0.984 125 D CA 1.186 55.067 54.000 -0.198 0.000 0.834 125 D CB -0.197 40.392 40.800 -0.353 0.000 0.955 125 D HN 0.519 nan 8.370 nan 0.000 0.465 126 Y N 0.612 120.895 120.300 -0.029 0.000 2.337 126 Y HA -0.028 4.518 4.550 -0.006 0.000 0.293 126 Y C 2.427 178.315 175.900 -0.021 0.000 1.123 126 Y CA 0.046 58.124 58.100 -0.036 0.000 1.201 126 Y CB -0.017 38.403 38.460 -0.067 0.000 1.011 126 Y HN -0.075 nan 8.280 nan 0.000 0.545 127 I N 0.164 120.800 120.570 0.110 0.000 2.202 127 I HA -0.262 3.905 4.170 -0.006 0.000 0.242 127 I C 1.684 177.831 176.117 0.051 0.000 1.091 127 I CA 1.412 62.768 61.300 0.093 0.000 1.368 127 I CB -1.046 37.033 38.000 0.133 0.000 1.058 127 I HN 0.244 nan 8.210 nan 0.000 0.410 128 D N 0.986 121.398 120.400 0.020 0.000 2.123 128 D HA -0.168 4.468 4.640 -0.006 0.000 0.196 128 D C 2.331 178.629 176.300 -0.004 0.000 0.992 128 D CA 1.217 55.218 54.000 0.002 0.000 0.833 128 D CB -0.115 40.672 40.800 -0.021 0.000 0.954 128 D HN 0.342 nan 8.370 nan 0.000 0.455 129 I N 1.042 121.596 120.570 -0.027 0.000 2.252 129 I HA -0.237 3.930 4.170 -0.006 0.000 0.245 129 I C 1.880 178.010 176.117 0.022 0.000 1.102 129 I CA 0.975 62.265 61.300 -0.016 0.000 1.385 129 I CB -0.122 37.852 38.000 -0.043 0.000 1.064 129 I HN -0.147 nan 8.210 nan 0.000 0.414 130 D N 1.150 121.571 120.400 0.035 0.000 2.123 130 D HA -0.176 4.460 4.640 -0.006 0.000 0.196 130 D C 2.244 178.567 176.300 0.037 0.000 0.992 130 D CA 1.638 55.661 54.000 0.039 0.000 0.833 130 D CB -0.215 40.611 40.800 0.044 0.000 0.954 130 D HN 0.357 nan 8.370 nan 0.000 0.455 131 A N 0.809 123.651 122.820 0.036 0.000 1.902 131 A HA -0.193 4.124 4.320 -0.006 0.000 0.217 131 A C 2.075 179.681 177.584 0.037 0.000 1.181 131 A CA 1.440 53.495 52.037 0.030 0.000 0.623 131 A CB -0.494 18.520 19.000 0.025 0.000 0.818 131 A HN 0.200 nan 8.150 nan 0.000 0.443 132 E N -0.415 119.818 120.200 0.054 0.000 2.106 132 E HA -0.130 4.216 4.350 -0.006 0.000 0.192 132 E C 1.843 178.558 176.600 0.192 0.000 0.984 132 E CA 1.097 57.565 56.400 0.112 0.000 0.806 132 E CB -0.260 29.502 29.700 0.103 0.000 0.750 132 E HN 0.712 nan 8.360 nan 0.000 0.458 133 I N 1.110 121.749 120.570 0.114 0.000 2.179 133 I HA -0.265 3.902 4.170 -0.006 0.000 0.242 133 I C 2.560 178.736 176.117 0.099 0.000 1.088 133 I CA 1.000 62.364 61.300 0.107 0.000 1.357 133 I CB -0.316 37.716 38.000 0.053 0.000 1.051 133 I HN 0.069 nan 8.210 nan 0.000 0.409 134 A N 0.431 123.285 122.820 0.057 0.000 1.940 134 A HA -0.254 4.062 4.320 -0.006 0.000 0.219 134 A C 2.167 179.756 177.584 0.008 0.000 1.176 134 A CA 1.899 53.954 52.037 0.029 0.000 0.631 134 A CB -0.650 18.360 19.000 0.016 0.000 0.814 134 A HN 0.486 nan 8.150 nan 0.000 0.446 135 E N -1.463 118.726 120.200 -0.017 0.000 2.268 135 E HA -0.151 4.195 4.350 -0.006 0.000 0.195 135 E C 1.099 177.553 176.600 -0.244 0.000 0.995 135 E CA 1.108 57.426 56.400 -0.137 0.000 0.836 135 E CB -0.130 29.456 29.700 -0.189 0.000 0.763 135 E HN 0.874 nan 8.360 nan 0.000 0.491 136 H N -0.756 118.313 119.070 -0.002 0.000 2.586 136 H HA 0.202 4.755 4.556 -0.006 0.000 0.273 136 H C 0.398 175.724 175.328 -0.002 0.000 0.997 136 H CA -0.321 55.726 56.048 -0.003 0.000 1.177 136 H CB 0.410 30.170 29.762 -0.004 0.000 1.471 136 H HN -0.035 nan 8.280 nan 0.000 0.538 137 L N 0.000 121.269 121.223 0.077 0.000 2.949 137 L HA 0.000 4.336 4.340 -0.006 0.000 0.249 137 L CA 0.000 54.868 54.840 0.047 0.000 0.813 137 L CB 0.000 42.077 42.059 0.030 0.000 0.961 137 L HN 0.000 nan 8.230 nan 0.000 0.502