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 3kup_1_C DATA FIRST_RESID 112 DATA SEQUENCE DKPRGFARGL DPERIIGATD XXGELMFLMK WKDSDEADLV LAKEANMKCP DATA SEQUENCE QIVIAFYEER L 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 112 D HA 0.000 nan 4.640 nan 0.000 0.175 112 D C 0.000 176.295 176.300 -0.008 0.000 2.045 112 D CA 0.000 53.997 54.000 -0.004 0.000 0.868 112 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 113 K N 1.291 121.685 120.400 -0.011 0.000 2.485 113 K HA 0.586 4.906 4.320 0.000 0.000 0.277 113 K C -1.608 174.978 176.600 -0.022 0.000 0.990 113 K CA -0.061 56.215 56.287 -0.020 0.000 0.994 113 K CB -0.748 31.738 32.500 -0.023 0.000 0.906 113 K HN 0.682 nan 8.250 nan 0.000 0.488 114 P HA 0.230 nan 4.420 nan 0.000 0.271 114 P C -0.725 176.545 177.300 -0.050 0.000 1.216 114 P CA -0.143 62.936 63.100 -0.035 0.000 0.776 114 P CB 0.674 32.347 31.700 -0.045 0.000 0.881 115 R N 0.645 121.129 120.500 -0.027 0.000 2.923 115 R HA 0.687 5.027 4.340 0.000 0.000 0.252 115 R C 0.699 176.990 176.300 -0.015 0.000 1.130 115 R CA -0.198 55.892 56.100 -0.017 0.000 1.043 115 R CB 0.896 31.216 30.300 0.033 0.000 1.205 115 R HN 0.744 nan 8.270 nan 0.000 0.495 116 G N 0.474 109.297 108.800 0.039 0.000 2.539 116 G HA2 -0.348 3.612 3.960 0.000 0.000 0.256 116 G HA3 -0.348 3.612 3.960 0.000 0.000 0.256 116 G C 0.343 175.110 174.900 -0.221 0.000 1.233 116 G CA 0.275 45.460 45.100 0.142 0.000 0.936 116 G HN 0.503 nan 8.290 nan 0.000 0.571 117 F N 1.671 121.622 119.950 0.002 0.000 2.333 117 F HA 0.163 4.690 4.527 -0.000 0.000 0.300 117 F C 3.029 178.683 175.800 -0.243 0.000 1.083 117 F CA 2.082 59.982 58.000 -0.167 0.000 1.395 117 F CB -0.355 38.680 39.000 0.058 0.000 1.056 117 F HN 0.621 nan 8.300 nan 0.000 0.529 118 A N -0.094 122.721 122.820 -0.008 0.000 2.172 118 A HA -0.122 4.198 4.320 0.000 0.000 0.216 118 A C 2.200 179.694 177.584 -0.149 0.000 1.154 118 A CA 0.726 52.732 52.037 -0.053 0.000 0.701 118 A CB -0.611 18.378 19.000 -0.017 0.000 0.789 118 A HN 0.314 nan 8.150 nan 0.000 0.465 119 R N -1.124 119.197 120.500 -0.299 0.000 2.193 119 R HA -0.003 4.337 4.340 0.000 0.000 0.229 119 R C 1.480 177.605 176.300 -0.293 0.000 1.110 119 R CA 0.655 56.550 56.100 -0.341 0.000 0.988 119 R CB -0.314 29.649 30.300 -0.562 0.000 0.871 119 R HN 0.727 nan 8.270 nan 0.000 0.458 120 G N 0.826 109.457 108.800 -0.282 0.000 2.143 120 G HA2 -0.267 3.693 3.960 0.000 0.000 0.248 120 G HA3 -0.267 3.693 3.960 0.000 0.000 0.248 120 G C 0.031 174.823 174.900 -0.180 0.000 0.991 120 G CA -0.022 44.977 45.100 -0.169 0.000 0.689 120 G HN 0.152 nan 8.290 nan 0.000 0.522 121 L N 0.055 121.072 121.223 -0.343 0.000 2.375 121 L HA 0.523 4.863 4.340 0.000 0.000 0.268 121 L C 0.003 176.869 176.870 -0.007 0.000 1.058 121 L CA -1.199 53.524 54.840 -0.195 0.000 0.803 121 L CB 0.754 42.664 42.059 -0.249 0.000 1.212 121 L HN -0.071 nan 8.230 nan 0.000 0.451 122 D N 2.267 122.757 120.400 0.150 0.000 2.304 122 D HA 0.206 4.846 4.640 0.000 0.000 0.250 122 D C -2.235 174.310 176.300 0.410 0.000 1.107 122 D CA -1.164 52.984 54.000 0.247 0.000 0.885 122 D CB 0.889 41.781 40.800 0.153 0.000 1.192 122 D HN 0.187 nan 8.370 nan 0.000 0.436 123 P HA 0.032 nan 4.420 nan 0.000 0.271 123 P C 0.215 177.516 177.300 0.003 0.000 1.216 123 P CA 0.082 63.248 63.100 0.110 0.000 0.776 123 P CB 1.666 33.410 31.700 0.074 0.000 0.881 124 E N 2.167 122.287 120.200 -0.133 0.000 2.192 124 E HA 0.058 4.408 4.350 0.000 0.000 0.196 124 E C -0.073 176.446 176.600 -0.136 0.000 0.922 124 E CA 0.104 56.449 56.400 -0.093 0.000 0.924 124 E CB 0.772 30.426 29.700 -0.077 0.000 0.911 124 E HN 0.188 nan 8.360 nan 0.000 0.478 125 R N -0.234 120.133 120.500 -0.221 0.000 2.634 125 R HA 0.398 4.738 4.340 0.000 0.000 0.263 125 R C -1.831 174.287 176.300 -0.303 0.000 1.060 125 R CA -0.499 55.477 56.100 -0.207 0.000 0.898 125 R CB 0.625 30.845 30.300 -0.132 0.000 1.253 125 R HN 0.199 nan 8.270 nan 0.000 0.461 126 I N 5.127 125.494 120.570 -0.340 0.000 2.352 126 I HA 0.318 4.488 4.170 0.000 0.000 0.290 126 I C 1.728 177.673 176.117 -0.287 0.000 1.036 126 I CA -0.016 60.995 61.300 -0.482 0.000 1.336 126 I CB 1.245 38.647 38.000 -0.997 0.000 1.407 126 I HN 0.766 nan 8.210 nan 0.000 0.497 127 I N 2.558 122.986 120.570 -0.237 0.000 4.018 127 I HA 0.579 4.749 4.170 0.000 0.000 0.337 127 I C 0.608 176.701 176.117 -0.040 0.000 1.327 127 I CA -0.093 61.147 61.300 -0.100 0.000 1.100 127 I CB 0.236 38.177 38.000 -0.098 0.000 1.025 127 I HN 0.584 nan 8.210 nan 0.000 0.396 128 G N 0.866 109.608 108.800 -0.096 0.000 2.368 128 G HA2 0.686 4.646 3.960 0.000 0.000 0.293 128 G HA3 0.686 4.646 3.960 0.000 0.000 0.293 128 G C -2.122 172.753 174.900 -0.041 0.000 1.467 128 G CA -0.152 44.950 45.100 0.003 0.000 0.804 128 G HN 0.426 nan 8.290 nan 0.000 0.535 129 A N -0.732 122.139 122.820 0.086 0.000 2.572 129 A HA 0.970 5.290 4.320 0.000 0.000 0.295 129 A C -0.539 177.092 177.584 0.078 0.000 1.072 129 A CA 0.026 52.131 52.037 0.113 0.000 0.691 129 A CB 2.073 21.243 19.000 0.283 0.000 1.291 129 A HN 1.752 nan 8.150 nan 0.000 0.404 130 T N -0.134 114.429 114.554 0.015 0.000 2.868 130 T HA 0.479 4.829 4.350 0.000 0.000 0.306 130 T C -1.388 173.297 174.700 -0.025 0.000 1.224 130 T CA -0.453 61.651 62.100 0.007 0.000 1.012 130 T CB 1.647 70.515 68.868 -0.000 0.000 1.221 130 T HN 0.738 nan 8.240 nan 0.000 0.499 135 E N 0.770 120.953 120.200 -0.027 0.000 2.175 135 E HA 0.378 4.728 4.350 0.000 0.000 0.278 135 E C -0.698 175.857 176.600 -0.075 0.000 0.969 135 E CA -0.863 55.510 56.400 -0.045 0.000 0.796 135 E CB 2.851 32.526 29.700 -0.042 0.000 1.104 135 E HN 0.149 nan 8.360 nan 0.000 0.395 136 L N 3.594 124.753 121.223 -0.107 0.000 2.455 136 L HA 0.173 4.513 4.340 0.000 0.000 0.272 136 L C -0.416 176.260 176.870 -0.323 0.000 1.174 136 L CA 0.908 55.633 54.840 -0.193 0.000 0.869 136 L CB 0.089 42.025 42.059 -0.206 0.000 1.130 136 L HN 0.509 nan 8.230 nan 0.000 0.474 137 M N 4.532 123.927 119.600 -0.343 0.000 2.518 137 M HA 0.440 4.920 4.480 0.000 0.000 0.300 137 M C -1.452 174.625 176.300 -0.372 0.000 1.175 137 M CA -0.429 54.668 55.300 -0.339 0.000 0.890 137 M CB 2.186 34.703 32.600 -0.138 0.000 1.710 137 M HN 0.281 nan 8.290 nan 0.000 0.453 138 F N 1.884 121.753 119.950 -0.135 0.000 2.508 138 F HA 0.511 5.038 4.527 -0.000 0.000 0.325 138 F C -0.379 175.285 175.800 -0.226 0.000 1.090 138 F CA -1.098 56.744 58.000 -0.264 0.000 0.945 138 F CB 1.299 40.086 39.000 -0.355 0.000 1.156 138 F HN 0.297 nan 8.300 nan 0.000 0.463 139 L N 4.667 125.864 121.223 -0.043 0.000 2.295 139 L HA 0.441 4.781 4.340 0.000 0.000 0.288 139 L C -0.477 176.242 176.870 -0.252 0.000 1.079 139 L CA -0.326 54.443 54.840 -0.118 0.000 0.830 139 L CB 0.247 42.251 42.059 -0.092 0.000 1.200 139 L HN 0.609 nan 8.230 nan 0.000 0.438 140 M N 5.173 124.552 119.600 -0.369 0.000 2.063 140 M HA 0.343 4.823 4.480 0.000 0.000 0.348 140 M C -0.430 175.322 176.300 -0.913 0.000 1.180 140 M CA -0.465 54.423 55.300 -0.686 0.000 1.059 140 M CB 0.588 32.616 32.600 -0.953 0.000 1.544 140 M HN 0.487 nan 8.290 nan 0.000 0.447 141 K N 4.622 124.623 120.400 -0.665 0.000 2.368 141 K HA 0.261 4.581 4.320 0.000 0.000 0.282 141 K C -1.819 174.390 176.600 -0.652 0.000 1.035 141 K CA 0.302 56.267 56.287 -0.538 0.000 0.973 141 K CB 0.388 32.726 32.500 -0.270 0.000 0.957 141 K HN 0.678 nan 8.250 nan 0.000 0.474 142 W N 3.267 124.504 121.300 -0.104 0.000 2.417 142 W HA 0.314 4.974 4.660 -0.000 0.000 0.317 142 W C 0.248 176.729 176.519 -0.064 0.000 1.121 142 W CA -1.031 56.254 57.345 -0.101 0.000 1.208 142 W CB 1.143 30.538 29.460 -0.108 0.000 1.253 142 W HN 0.231 nan 8.180 nan 0.000 0.533 143 K N 1.720 122.233 120.400 0.188 0.000 2.469 143 K HA -0.038 4.282 4.320 0.000 0.000 0.274 143 K C -0.042 176.614 176.600 0.092 0.000 0.983 143 K CA -0.097 56.249 56.287 0.099 0.000 0.974 143 K CB 0.010 32.562 32.500 0.087 0.000 0.913 143 K HN 0.681 nan 8.250 nan 0.000 0.493 144 D N 0.126 120.559 120.400 0.055 0.000 2.689 144 D HA -0.156 4.484 4.640 0.000 0.000 0.237 144 D C -0.175 176.152 176.300 0.046 0.000 1.148 144 D CA 1.651 55.675 54.000 0.041 0.000 0.656 144 D CB -1.405 39.416 40.800 0.034 0.000 1.050 144 D HN 0.670 nan 8.370 nan 0.000 0.426 145 S N -1.590 114.143 115.700 0.055 0.000 2.627 145 S HA 0.437 4.907 4.470 0.000 0.000 0.268 145 S C -0.983 173.650 174.600 0.055 0.000 1.130 145 S CA -0.928 57.307 58.200 0.059 0.000 0.819 145 S CB 1.942 65.197 63.200 0.092 0.000 1.100 145 S HN -0.189 nan 8.310 nan 0.000 0.465 146 D N 0.962 121.391 120.400 0.049 0.000 2.525 146 D HA 0.294 4.934 4.640 0.000 0.000 0.229 146 D C -0.465 175.869 176.300 0.056 0.000 1.202 146 D CA -0.044 53.978 54.000 0.038 0.000 0.828 146 D CB 0.362 41.176 40.800 0.023 0.000 1.008 146 D HN 0.447 nan 8.370 nan 0.000 0.493 147 E N 0.822 121.087 120.200 0.109 0.000 2.214 147 E HA 0.697 5.047 4.350 0.000 0.000 0.274 147 E C -0.380 176.337 176.600 0.196 0.000 0.977 147 E CA -0.773 55.732 56.400 0.175 0.000 0.827 147 E CB 2.600 32.439 29.700 0.232 0.000 1.130 147 E HN 0.027 nan 8.360 nan 0.000 0.394 148 A N 3.032 125.930 122.820 0.130 0.000 2.488 148 A HA 0.521 4.841 4.320 0.000 0.000 0.295 148 A C -1.322 176.292 177.584 0.050 0.000 1.045 148 A CA -0.838 51.179 52.037 -0.033 0.000 0.703 148 A CB 1.262 20.196 19.000 -0.109 0.000 1.271 148 A HN 0.495 nan 8.150 nan 0.000 0.400 149 D N 1.433 121.873 120.400 0.066 0.000 2.645 149 D HA 0.409 5.049 4.640 0.000 0.000 0.228 149 D C -0.597 175.724 176.300 0.035 0.000 1.148 149 D CA -0.375 53.695 54.000 0.118 0.000 0.860 149 D CB 1.853 42.812 40.800 0.266 0.000 1.548 149 D HN 0.480 nan 8.370 nan 0.000 0.460 150 L N 1.172 122.420 121.223 0.041 0.000 2.410 150 L HA 0.259 4.599 4.340 0.000 0.000 0.273 150 L C 0.167 177.078 176.870 0.069 0.000 1.152 150 L CA -0.227 54.628 54.840 0.025 0.000 0.855 150 L CB 0.754 42.822 42.059 0.015 0.000 1.129 150 L HN 0.191 nan 8.230 nan 0.000 0.463 151 V N 2.132 122.089 119.914 0.073 0.000 2.876 151 V HA 0.480 4.600 4.120 0.000 0.000 0.312 151 V C -0.234 175.908 176.094 0.081 0.000 1.085 151 V CA -1.150 61.242 62.300 0.155 0.000 0.945 151 V CB 1.894 33.891 31.823 0.290 0.000 1.017 151 V HN 0.524 nan 8.190 nan 0.000 0.428 152 L N 3.255 124.529 121.223 0.084 0.000 2.499 152 L HA 0.308 4.648 4.340 0.000 0.000 0.273 152 L C 2.034 178.881 176.870 -0.038 0.000 1.195 152 L CA 0.663 55.495 54.840 -0.012 0.000 0.882 152 L CB 1.048 43.115 42.059 0.013 0.000 1.133 152 L HN 1.037 nan 8.230 nan 0.000 0.483 153 A N 3.866 126.522 122.820 -0.273 0.000 1.927 153 A HA -0.244 4.076 4.320 0.000 0.000 0.220 153 A C 2.190 179.788 177.584 0.023 0.000 1.185 153 A CA 1.941 53.786 52.037 -0.319 0.000 0.639 153 A CB -0.364 18.300 19.000 -0.561 0.000 0.820 153 A HN 0.866 nan 8.150 nan 0.000 0.451 154 K N -0.753 119.645 120.400 -0.004 0.000 2.097 154 K HA -0.170 4.150 4.320 0.000 0.000 0.206 154 K C 2.130 178.751 176.600 0.035 0.000 1.049 154 K CA 1.582 57.886 56.287 0.028 0.000 0.933 154 K CB -0.116 32.388 32.500 0.005 0.000 0.717 154 K HN 0.722 nan 8.250 nan 0.000 0.442 155 E N 0.259 120.484 120.200 0.042 0.000 2.072 155 E HA -0.153 4.197 4.350 0.000 0.000 0.191 155 E C 1.911 178.498 176.600 -0.023 0.000 0.985 155 E CA 0.942 57.332 56.400 -0.017 0.000 0.801 155 E CB -0.005 29.713 29.700 0.030 0.000 0.750 155 E HN 0.336 nan 8.360 nan 0.000 0.452 156 A N 1.171 124.119 122.820 0.213 0.000 1.930 156 A HA -0.188 4.132 4.320 0.000 0.000 0.217 156 A C 1.848 179.545 177.584 0.189 0.000 1.175 156 A CA 1.407 53.629 52.037 0.309 0.000 0.627 156 A CB -0.554 18.716 19.000 0.449 0.000 0.815 156 A HN 0.245 nan 8.150 nan 0.000 0.443 157 N N 0.571 119.383 118.700 0.187 0.000 2.104 157 N HA -0.199 4.541 4.740 0.000 0.000 0.190 157 N C 1.847 177.403 175.510 0.076 0.000 1.024 157 N CA 2.144 55.285 53.050 0.151 0.000 0.853 157 N CB -0.576 37.997 38.487 0.144 0.000 1.008 157 N HN 0.782 nan 8.380 nan 0.000 0.424 158 M N -0.572 119.043 119.600 0.024 0.000 2.236 158 M HA 0.078 4.558 4.480 0.000 0.000 0.266 158 M C 1.454 177.732 176.300 -0.037 0.000 1.070 158 M CA 1.380 56.671 55.300 -0.015 0.000 1.137 158 M CB -0.274 32.299 32.600 -0.044 0.000 1.378 158 M HN -0.091 nan 8.290 nan 0.000 0.426 159 K N 0.737 121.085 120.400 -0.086 0.000 2.242 159 K HA 0.105 4.425 4.320 0.000 0.000 0.200 159 K C 0.667 177.291 176.600 0.039 0.000 1.050 159 K CA 0.883 57.106 56.287 -0.105 0.000 0.981 159 K CB 0.497 32.744 32.500 -0.421 0.000 0.795 159 K HN 0.633 nan 8.250 nan 0.000 0.477 160 C N -0.380 118.977 119.300 0.096 0.000 3.421 160 C HA 0.377 4.837 4.460 0.000 0.000 0.194 160 C C -1.932 173.109 174.990 0.085 0.000 1.418 160 C CA -1.766 57.321 59.018 0.115 0.000 1.226 160 C CB 0.375 28.219 27.740 0.175 0.000 1.875 160 C HN 0.076 nan 8.230 nan 0.000 0.561 161 P HA -0.178 nan 4.420 nan 0.000 0.218 161 P C 1.571 178.913 177.300 0.070 0.000 1.148 161 P CA 1.816 64.965 63.100 0.082 0.000 0.822 161 P CB 0.231 31.975 31.700 0.072 0.000 0.784 162 Q N -0.463 119.368 119.800 0.052 0.000 2.172 162 Q HA -0.017 4.323 4.340 0.000 0.000 0.200 162 Q C 2.438 178.450 176.000 0.021 0.000 0.964 162 Q CA 0.912 56.739 55.803 0.040 0.000 0.855 162 Q CB -0.752 28.006 28.738 0.033 0.000 0.918 162 Q HN 0.394 nan 8.270 nan 0.000 0.444 163 I N -0.004 120.567 120.570 0.003 0.000 2.315 163 I HA -0.214 3.956 4.170 0.000 0.000 0.248 163 I C 2.198 178.249 176.117 -0.110 0.000 1.117 163 I CA 0.580 61.849 61.300 -0.052 0.000 1.404 163 I CB -0.167 37.794 38.000 -0.066 0.000 1.071 163 I HN -0.050 nan 8.210 nan 0.000 0.419 164 V N 1.029 120.885 119.914 -0.096 0.000 2.295 164 V HA -0.284 3.836 4.120 0.000 0.000 0.246 164 V C 2.287 178.382 176.094 0.003 0.000 1.049 164 V CA 1.893 64.095 62.300 -0.163 0.000 1.024 164 V CB -0.417 31.433 31.823 0.046 0.000 0.648 164 V HN 0.334 nan 8.190 nan 0.000 0.447 165 I N 0.400 121.038 120.570 0.112 0.000 2.286 165 I HA -0.219 3.951 4.170 0.000 0.000 0.248 165 I C 2.644 178.826 176.117 0.109 0.000 1.115 165 I CA 1.352 62.761 61.300 0.182 0.000 1.392 165 I CB -0.538 37.540 38.000 0.129 0.000 1.065 165 I HN 0.285 nan 8.210 nan 0.000 0.418 166 A N 0.651 123.496 122.820 0.041 0.000 1.940 166 A HA -0.271 4.049 4.320 0.000 0.000 0.219 166 A C 2.215 179.795 177.584 -0.006 0.000 1.176 166 A CA 1.517 53.560 52.037 0.010 0.000 0.631 166 A CB -0.934 18.062 19.000 -0.007 0.000 0.814 166 A HN 0.468 nan 8.150 nan 0.000 0.446 167 F N -0.565 119.256 119.950 -0.215 0.000 2.102 167 F HA -0.169 4.358 4.527 0.000 0.000 0.298 167 F C 2.085 177.761 175.800 -0.207 0.000 1.105 167 F CA 1.646 59.461 58.000 -0.309 0.000 1.239 167 F CB -0.510 38.127 39.000 -0.606 0.000 0.991 167 F HN 0.289 nan 8.300 nan 0.000 0.474 168 Y N 0.991 121.223 120.300 -0.112 0.000 2.181 168 Y HA -0.152 4.398 4.550 0.000 0.000 0.288 168 Y C 2.514 178.312 175.900 -0.171 0.000 1.146 168 Y CA 1.700 59.698 58.100 -0.170 0.000 1.164 168 Y CB -1.052 37.414 38.460 0.010 0.000 0.982 168 Y HN 0.206 nan 8.280 nan 0.000 0.515 169 E N -0.343 119.885 120.200 0.046 0.000 2.077 169 E HA -0.224 4.126 4.350 0.000 0.000 0.193 169 E C 2.476 179.038 176.600 -0.062 0.000 0.989 169 E CA 1.298 57.698 56.400 -0.001 0.000 0.800 169 E CB -0.061 29.644 29.700 0.010 0.000 0.746 169 E HN 0.659 nan 8.360 nan 0.000 0.452 170 E N 1.107 121.239 120.200 -0.114 0.000 2.072 170 E HA -0.173 4.177 4.350 0.000 0.000 0.191 170 E C 2.100 178.593 176.600 -0.179 0.000 0.985 170 E CA 1.313 57.632 56.400 -0.134 0.000 0.801 170 E CB -0.543 29.077 29.700 -0.135 0.000 0.750 170 E HN -0.005 nan 8.360 nan 0.000 0.452 171 R N -1.836 118.481 120.500 -0.304 0.000 2.173 171 R HA 0.514 4.854 4.340 0.000 0.000 0.208 171 R C 1.369 177.578 176.300 -0.151 0.000 1.035 171 R CA 0.851 56.771 56.100 -0.300 0.000 1.004 171 R CB -0.744 29.202 30.300 -0.588 0.000 0.917 171 R HN 0.718 nan 8.270 nan 0.000 0.462 172 L N 0.000 121.163 121.223 -0.100 0.000 2.949 172 L HA 0.000 4.340 4.340 0.000 0.000 0.249 172 L CA 0.000 54.816 54.840 -0.040 0.000 0.813 172 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 172 L HN 0.000 nan 8.230 nan 0.000 0.502