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 3bid_1_D DATA FIRST_RESID 2 DATA SEQUENCE YFEIYKDAKG EYRWRLKAAN HEIIAQGEGY TSKQNCQHAV DLLKSTTAAT DATA SEQUENCE PVKEVL 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.865 175.900 -0.058 0.000 1.272 2 Y CA 0.000 58.090 58.100 -0.016 0.000 1.940 2 Y CB 0.000 38.501 38.460 0.068 0.000 1.050 3 F N 1.539 121.586 119.950 0.163 0.000 2.377 3 F HA 0.610 5.136 4.527 -0.001 0.000 0.328 3 F C 0.205 176.144 175.800 0.232 0.000 1.094 3 F CA -0.312 57.767 58.000 0.131 0.000 1.093 3 F CB 1.703 40.767 39.000 0.107 0.000 1.214 3 F HN 0.635 nan 8.300 nan 0.000 0.518 4 E N 2.750 123.217 120.200 0.446 0.000 2.281 4 E HA 0.434 4.784 4.350 -0.000 0.000 0.266 4 E C -1.506 175.368 176.600 0.456 0.000 0.893 4 E CA -0.393 56.248 56.400 0.403 0.000 0.798 4 E CB 1.297 31.186 29.700 0.316 0.000 1.245 4 E HN 0.490 nan 8.360 nan 0.000 0.410 5 I N 5.591 126.384 120.570 0.372 0.000 2.336 5 I HA 0.395 4.564 4.170 -0.000 0.000 0.292 5 I C -0.678 175.664 176.117 0.375 0.000 0.991 5 I CA -0.721 60.773 61.300 0.323 0.000 1.227 5 I CB 0.549 38.645 38.000 0.161 0.000 1.366 5 I HN 0.501 nan 8.210 nan 0.000 0.466 6 Y N 4.114 124.553 120.300 0.232 0.000 2.728 6 Y HA 0.609 5.159 4.550 -0.001 0.000 0.330 6 Y C -1.281 174.766 175.900 0.245 0.000 1.234 6 Y CA -1.665 56.561 58.100 0.211 0.000 1.070 6 Y CB 1.102 39.644 38.460 0.137 0.000 1.300 6 Y HN 0.372 nan 8.280 nan 0.000 0.467 7 K N 1.766 122.293 120.400 0.211 0.000 2.323 7 K HA 0.359 4.679 4.320 -0.000 0.000 0.259 7 K C -1.270 175.378 176.600 0.080 0.000 0.947 7 K CA -0.686 55.579 56.287 -0.037 0.000 0.819 7 K CB 1.073 33.510 32.500 -0.105 0.000 1.109 7 K HN 0.859 nan 8.250 nan 0.000 0.429 8 D N 2.968 123.358 120.400 -0.017 0.000 2.478 8 D HA 0.124 4.764 4.640 -0.000 0.000 0.269 8 D C 0.753 177.070 176.300 0.027 0.000 1.232 8 D CA -0.448 53.608 54.000 0.092 0.000 1.059 8 D CB 0.529 41.377 40.800 0.080 0.000 1.104 8 D HN 0.425 nan 8.370 nan 0.000 0.566 9 A N -0.941 121.900 122.820 0.036 0.000 2.209 9 A HA -0.068 4.252 4.320 -0.000 0.000 0.212 9 A C 1.475 179.053 177.584 -0.011 0.000 1.158 9 A CA 0.671 52.714 52.037 0.011 0.000 0.742 9 A CB -0.570 18.439 19.000 0.015 0.000 0.790 9 A HN 0.503 nan 8.150 nan 0.000 0.472 10 K N -1.188 119.198 120.400 -0.022 0.000 2.387 10 K HA 0.288 4.607 4.320 -0.000 0.000 0.198 10 K C 0.869 177.433 176.600 -0.060 0.000 1.022 10 K CA 0.392 56.658 56.287 -0.034 0.000 1.128 10 K CB 0.234 32.715 32.500 -0.030 0.000 0.853 10 K HN 0.526 nan 8.250 nan 0.000 0.523 11 G N 2.787 111.536 108.800 -0.086 0.000 2.147 11 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 11 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 11 G C -0.262 174.502 174.900 -0.226 0.000 1.005 11 G CA 0.592 45.608 45.100 -0.140 0.000 0.713 11 G HN 0.525 nan 8.290 nan 0.000 0.515 12 E N -0.793 119.272 120.200 -0.226 0.000 2.281 12 E HA 0.697 5.047 4.350 -0.000 0.000 0.262 12 E C -1.143 175.260 176.600 -0.329 0.000 0.933 12 E CA -1.424 54.830 56.400 -0.243 0.000 0.809 12 E CB 1.303 30.947 29.700 -0.093 0.000 1.242 12 E HN 0.148 nan 8.360 nan 0.000 0.418 13 Y N 0.790 121.098 120.300 0.014 0.000 2.341 13 Y HA 0.356 4.906 4.550 -0.000 0.000 0.340 13 Y C 0.187 176.095 175.900 0.013 0.000 0.997 13 Y CA -0.488 57.600 58.100 -0.020 0.000 1.149 13 Y CB 1.231 39.714 38.460 0.037 0.000 1.171 13 Y HN 0.479 nan 8.280 nan 0.000 0.494 14 R N 2.750 123.188 120.500 -0.102 0.000 2.836 14 R HA 0.631 4.971 4.340 -0.000 0.000 0.269 14 R C -1.474 174.783 176.300 -0.071 0.000 1.010 14 R CA -1.051 54.995 56.100 -0.090 0.000 0.930 14 R CB 2.271 32.406 30.300 -0.274 0.000 1.218 14 R HN 0.666 nan 8.270 nan 0.000 0.473 15 W N 0.366 121.703 121.300 0.061 0.000 2.820 15 W HA 0.675 5.334 4.660 -0.001 0.000 0.350 15 W C -1.163 175.520 176.519 0.274 0.000 1.116 15 W CA -1.368 56.093 57.345 0.193 0.000 1.146 15 W CB 1.014 30.585 29.460 0.185 0.000 1.433 15 W HN 0.801 nan 8.180 nan 0.000 0.561 16 R N 2.203 123.001 120.500 0.497 0.000 2.515 16 R HA 0.499 4.839 4.340 -0.000 0.000 0.278 16 R C -1.710 174.745 176.300 0.257 0.000 1.107 16 R CA -1.028 55.215 56.100 0.238 0.000 0.945 16 R CB 1.764 32.141 30.300 0.129 0.000 1.219 16 R HN 0.560 nan 8.270 nan 0.000 0.434 17 L N 4.176 125.496 121.223 0.163 0.000 2.302 17 L HA 0.382 4.721 4.340 -0.000 0.000 0.285 17 L C -0.696 176.014 176.870 -0.267 0.000 1.090 17 L CA -0.165 54.534 54.840 -0.236 0.000 0.866 17 L CB 0.518 42.371 42.059 -0.344 0.000 1.244 17 L HN 0.756 nan 8.230 nan 0.000 0.435 18 K N 2.953 123.109 120.400 -0.405 0.000 2.098 18 K HA 0.594 4.914 4.320 -0.000 0.000 0.257 18 K C 0.094 176.491 176.600 -0.337 0.000 0.999 18 K CA -0.483 55.587 56.287 -0.361 0.000 0.924 18 K CB 1.603 33.846 32.500 -0.428 0.000 1.028 18 K HN 0.719 nan 8.250 nan 0.000 0.466 19 A N 0.973 123.693 122.820 -0.168 0.000 2.240 19 A HA 0.469 4.789 4.320 -0.000 0.000 0.292 19 A C 1.145 178.704 177.584 -0.042 0.000 1.121 19 A CA 0.343 52.321 52.037 -0.099 0.000 0.851 19 A CB 0.322 19.281 19.000 -0.068 0.000 1.167 19 A HN 0.835 nan 8.150 nan 0.000 0.503 20 A N 0.558 123.362 122.820 -0.027 0.000 1.948 20 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 20 A C 1.518 178.985 177.584 -0.195 0.000 1.177 20 A CA 1.965 53.982 52.037 -0.033 0.000 0.636 20 A CB -0.759 18.219 19.000 -0.035 0.000 0.815 20 A HN 0.992 nan 8.150 nan 0.000 0.449 21 N N -0.902 117.690 118.700 -0.180 0.000 2.362 21 N HA -0.016 4.724 4.740 -0.000 0.000 0.211 21 N C -0.231 175.170 175.510 -0.181 0.000 1.170 21 N CA 0.627 53.528 53.050 -0.250 0.000 0.828 21 N CB -0.974 37.452 38.487 -0.102 0.000 1.034 21 N HN 0.697 nan 8.380 nan 0.000 0.475 22 H N -1.734 117.370 119.070 0.057 0.000 2.899 22 H HA -0.115 4.440 4.556 -0.001 0.000 0.282 22 H C -0.801 174.513 175.328 -0.022 0.000 1.198 22 H CA 0.598 56.669 56.048 0.039 0.000 1.140 22 H CB -1.284 28.521 29.762 0.071 0.000 1.317 22 H HN 0.324 nan 8.280 nan 0.000 0.375 23 E N 1.087 121.307 120.200 0.033 0.000 2.194 23 E HA 0.208 4.557 4.350 -0.000 0.000 0.284 23 E C 0.498 177.075 176.600 -0.039 0.000 1.035 23 E CA -0.493 55.906 56.400 -0.002 0.000 0.836 23 E CB 0.807 30.497 29.700 -0.017 0.000 1.070 23 E HN 0.347 nan 8.360 nan 0.000 0.401 24 I N 5.410 125.957 120.570 -0.038 0.000 2.671 24 I HA -0.107 4.062 4.170 -0.000 0.000 0.285 24 I C 1.615 177.700 176.117 -0.053 0.000 1.148 24 I CA 0.292 61.557 61.300 -0.057 0.000 1.386 24 I CB 0.248 38.219 38.000 -0.049 0.000 1.406 24 I HN 0.499 nan 8.210 nan 0.000 0.540 25 I N 5.638 126.169 120.570 -0.065 0.000 2.585 25 I HA 0.118 4.288 4.170 -0.000 0.000 0.254 25 I C 1.018 177.120 176.117 -0.025 0.000 1.129 25 I CA 0.456 61.727 61.300 -0.047 0.000 1.455 25 I CB 0.119 38.081 38.000 -0.063 0.000 1.111 25 I HN 0.659 nan 8.210 nan 0.000 0.433 26 A N 0.330 123.135 122.820 -0.025 0.000 2.566 26 A HA 0.553 4.872 4.320 -0.000 0.000 0.297 26 A C -1.121 176.386 177.584 -0.129 0.000 1.059 26 A CA -0.476 51.548 52.037 -0.021 0.000 0.691 26 A CB 1.679 20.737 19.000 0.096 0.000 1.282 26 A HN 0.006 nan 8.150 nan 0.000 0.401 27 Q N 1.180 120.851 119.800 -0.215 0.000 2.368 27 Q HA 0.498 4.837 4.340 -0.000 0.000 0.263 27 Q C 0.392 176.024 176.000 -0.612 0.000 1.009 27 Q CA 0.005 55.607 55.803 -0.335 0.000 0.818 27 Q CB 1.665 30.295 28.738 -0.179 0.000 1.239 27 Q HN 1.059 nan 8.270 nan 0.000 0.464 28 G N 2.216 110.253 108.800 -1.272 0.000 2.616 28 G HA2 0.235 4.194 3.960 -0.000 0.000 0.268 28 G HA3 0.235 4.194 3.960 -0.000 0.000 0.268 28 G C -0.036 174.516 174.900 -0.579 0.000 1.213 28 G CA -0.147 44.053 45.100 -1.500 0.000 0.926 28 G HN 0.503 nan 8.290 nan 0.000 0.523 29 E N -1.512 118.560 120.200 -0.214 0.000 2.602 29 E HA 0.545 4.895 4.350 -0.000 0.000 0.255 29 E C 0.791 177.335 176.600 -0.093 0.000 1.268 29 E CA 0.125 56.450 56.400 -0.126 0.000 1.007 29 E CB 0.752 30.393 29.700 -0.099 0.000 1.208 29 E HN 0.575 nan 8.360 nan 0.000 0.584 30 G N -0.688 108.032 108.800 -0.133 0.000 2.437 30 G HA2 0.477 4.437 3.960 -0.000 0.000 0.319 30 G HA3 0.477 4.437 3.960 -0.000 0.000 0.319 30 G C -1.324 173.461 174.900 -0.192 0.000 1.158 30 G CA -0.148 44.911 45.100 -0.068 0.000 0.899 30 G HN 0.332 nan 8.290 nan 0.000 0.502 31 Y N -1.666 118.682 120.300 0.079 0.000 2.773 31 Y HA 0.545 5.096 4.550 0.000 0.000 0.323 31 Y C 1.540 177.505 175.900 0.109 0.000 1.183 31 Y CA -0.311 57.857 58.100 0.112 0.000 1.144 31 Y CB 2.038 40.595 38.460 0.161 0.000 1.340 31 Y HN 0.563 nan 8.280 nan 0.000 0.531 32 T N -1.351 113.397 114.554 0.324 0.000 3.044 32 T HA 0.120 4.470 4.350 -0.000 0.000 0.237 32 T C 0.425 175.317 174.700 0.320 0.000 1.001 32 T CA 0.759 62.992 62.100 0.221 0.000 1.160 32 T CB -0.486 68.468 68.868 0.143 0.000 0.889 32 T HN 0.541 nan 8.240 nan 0.000 0.442 33 S N 0.014 115.892 115.700 0.297 0.000 2.638 33 S HA 0.467 4.937 4.470 -0.000 0.000 0.298 33 S C 0.869 175.484 174.600 0.025 0.000 1.111 33 S CA -0.731 57.603 58.200 0.223 0.000 1.027 33 S CB 1.809 65.060 63.200 0.085 0.000 1.064 33 S HN 0.393 nan 8.310 nan 0.000 0.525 34 K N 0.231 120.375 120.400 -0.427 0.000 2.217 34 K HA -0.117 4.203 4.320 -0.000 0.000 0.202 34 K C 2.052 178.404 176.600 -0.414 0.000 1.051 34 K CA 1.186 56.922 56.287 -0.917 0.000 0.952 34 K CB -0.224 31.660 32.500 -1.026 0.000 0.736 34 K HN 0.688 nan 8.250 nan 0.000 0.453 35 Q N 1.324 120.978 119.800 -0.242 0.000 2.050 35 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 35 Q C 1.554 177.454 176.000 -0.166 0.000 0.980 35 Q CA 1.951 57.652 55.803 -0.170 0.000 0.840 35 Q CB -0.158 28.512 28.738 -0.112 0.000 0.898 35 Q HN 0.336 nan 8.270 nan 0.000 0.424 36 N N -0.431 118.187 118.700 -0.137 0.000 2.223 36 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 36 N C 1.842 177.065 175.510 -0.479 0.000 1.016 36 N CA 1.244 54.209 53.050 -0.140 0.000 0.863 36 N CB -0.762 37.762 38.487 0.062 0.000 0.983 36 N HN 0.373 nan 8.380 nan 0.000 0.429 37 C N 1.180 120.104 119.300 -0.627 0.000 2.446 37 C HA -0.027 4.433 4.460 -0.000 0.000 0.277 37 C C 2.729 177.416 174.990 -0.505 0.000 1.275 37 C CA 0.702 59.206 59.018 -0.857 0.000 1.727 37 C CB -0.953 26.538 27.740 -0.414 0.000 2.010 37 C HN 0.458 nan 8.230 nan 0.000 0.486 38 Q N -1.016 118.584 119.800 -0.334 0.000 2.167 38 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 38 Q C 1.987 177.851 176.000 -0.227 0.000 0.970 38 Q CA 1.908 57.560 55.803 -0.251 0.000 0.855 38 Q CB -0.296 28.333 28.738 -0.182 0.000 0.911 38 Q HN 0.898 nan 8.270 nan 0.000 0.438 39 H N -0.346 118.550 119.070 -0.290 0.000 2.389 39 H HA 0.029 4.584 4.556 -0.001 0.000 0.299 39 H C 1.667 176.836 175.328 -0.265 0.000 1.081 39 H CA 1.704 57.612 56.048 -0.232 0.000 1.345 39 H CB -0.114 29.545 29.762 -0.171 0.000 1.393 39 H HN 0.340 nan 8.280 nan 0.000 0.520 40 A N -0.085 122.511 122.820 -0.373 0.000 1.902 40 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 40 A C 2.668 179.907 177.584 -0.574 0.000 1.181 40 A CA 1.728 53.517 52.037 -0.412 0.000 0.623 40 A CB -0.948 17.868 19.000 -0.306 0.000 0.818 40 A HN 0.317 nan 8.150 nan 0.000 0.443 41 V N 0.714 120.228 119.914 -0.667 0.000 2.343 41 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 41 V C 2.120 177.802 176.094 -0.687 0.000 1.051 41 V CA 2.234 64.018 62.300 -0.860 0.000 1.036 41 V CB -0.787 30.559 31.823 -0.795 0.000 0.654 41 V HN 0.514 nan 8.190 nan 0.000 0.451 42 D N 0.005 120.119 120.400 -0.478 0.000 2.144 42 D HA -0.114 4.525 4.640 -0.000 0.000 0.199 42 D C 2.161 178.261 176.300 -0.332 0.000 0.984 42 D CA 1.159 54.950 54.000 -0.348 0.000 0.834 42 D CB -0.065 40.590 40.800 -0.242 0.000 0.955 42 D HN 0.353 nan 8.370 nan 0.000 0.465 43 L N 0.319 121.302 121.223 -0.401 0.000 2.056 43 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 43 L C 2.618 179.338 176.870 -0.250 0.000 1.078 43 L CA 0.507 55.157 54.840 -0.317 0.000 0.749 43 L CB -0.280 41.566 42.059 -0.356 0.000 0.901 43 L HN 0.012 nan 8.230 nan 0.000 0.433 44 L N 0.277 121.308 121.223 -0.321 0.000 2.012 44 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 44 L C 2.680 179.464 176.870 -0.144 0.000 1.073 44 L CA 1.657 56.354 54.840 -0.238 0.000 0.748 44 L CB -0.478 41.363 42.059 -0.363 0.000 0.891 44 L HN 0.360 nan 8.230 nan 0.000 0.431 45 K N -0.571 119.703 120.400 -0.210 0.000 2.439 45 K HA -0.062 4.258 4.320 -0.000 0.000 0.197 45 K C 1.798 178.366 176.600 -0.055 0.000 1.041 45 K CA 1.323 57.567 56.287 -0.071 0.000 0.970 45 K CB -0.254 32.192 32.500 -0.090 0.000 0.773 45 K HN 0.306 nan 8.250 nan 0.000 0.479 46 S N 0.232 115.876 115.700 -0.093 0.000 2.593 46 S HA 0.004 4.474 4.470 -0.000 0.000 0.217 46 S C 0.429 175.003 174.600 -0.043 0.000 0.966 46 S CA -0.373 57.787 58.200 -0.065 0.000 0.914 46 S CB -0.298 62.852 63.200 -0.084 0.000 0.776 46 S HN 0.152 nan 8.310 nan 0.000 0.523 47 T N 3.242 117.772 114.554 -0.039 0.000 2.853 47 T HA 0.289 4.638 4.350 -0.000 0.000 0.298 47 T C 0.263 174.962 174.700 -0.001 0.000 0.978 47 T CA 0.295 62.384 62.100 -0.019 0.000 1.152 47 T CB 0.993 69.856 68.868 -0.007 0.000 0.914 47 T HN 0.473 nan 8.240 nan 0.000 0.539 48 T N 1.277 115.830 114.554 -0.001 0.000 2.862 48 T HA 0.525 4.875 4.350 -0.000 0.000 0.276 48 T C 1.102 175.807 174.700 0.009 0.000 0.974 48 T CA -0.518 61.584 62.100 0.004 0.000 0.966 48 T CB 0.607 69.475 68.868 0.001 0.000 1.072 48 T HN 0.547 nan 8.240 nan 0.000 0.538 49 A N 0.609 123.434 122.820 0.010 0.000 2.412 49 A HA 0.588 4.908 4.320 -0.000 0.000 0.253 49 A C 1.553 179.142 177.584 0.009 0.000 1.334 49 A CA 0.494 52.538 52.037 0.011 0.000 0.929 49 A CB -1.016 17.991 19.000 0.011 0.000 0.983 49 A HN 0.963 nan 8.150 nan 0.000 0.508 50 A N -1.298 121.526 122.820 0.007 0.000 2.358 50 A HA 0.315 4.635 4.320 -0.000 0.000 0.223 50 A C 0.951 178.538 177.584 0.006 0.000 1.218 50 A CA 0.233 52.274 52.037 0.006 0.000 0.942 50 A CB -0.211 18.791 19.000 0.004 0.000 1.005 50 A HN 0.246 nan 8.150 nan 0.000 0.514 51 T N 4.479 119.037 114.554 0.006 0.000 2.822 51 T HA 0.295 4.644 4.350 -0.000 0.000 0.288 51 T C -1.919 172.787 174.700 0.010 0.000 0.991 51 T CA -0.233 61.871 62.100 0.007 0.000 1.176 51 T CB 0.247 69.120 68.868 0.007 0.000 0.951 51 T HN 0.395 nan 8.240 nan 0.000 0.526 52 P HA 0.293 nan 4.420 nan 0.000 0.272 52 P C -1.114 176.194 177.300 0.013 0.000 1.230 52 P CA -0.429 62.677 63.100 0.010 0.000 0.788 52 P CB 0.645 32.350 31.700 0.008 0.000 0.949 53 V N 2.509 122.431 119.914 0.014 0.000 2.409 53 V HA 0.345 4.465 4.120 -0.000 0.000 0.290 53 V C 0.238 176.340 176.094 0.014 0.000 1.017 53 V CA -0.510 61.800 62.300 0.016 0.000 0.841 53 V CB 1.088 32.921 31.823 0.017 0.000 1.003 53 V HN 0.676 nan 8.190 nan 0.000 0.426 54 K N 3.477 123.885 120.400 0.014 0.000 2.435 54 K HA 0.861 5.181 4.320 -0.000 0.000 0.251 54 K C -0.969 175.638 176.600 0.012 0.000 0.954 54 K CA -0.970 55.324 56.287 0.012 0.000 0.820 54 K CB 3.092 35.598 32.500 0.010 0.000 1.292 54 K HN 0.681 nan 8.250 nan 0.000 0.436 55 E N 0.596 120.802 120.200 0.011 0.000 2.277 55 E HA 0.447 4.797 4.350 -0.000 0.000 0.266 55 E C -0.165 176.440 176.600 0.009 0.000 0.901 55 E CA -1.289 55.118 56.400 0.010 0.000 0.782 55 E CB 1.782 31.488 29.700 0.010 0.000 1.228 55 E HN 0.459 nan 8.360 nan 0.000 0.424 56 V N 0.152 120.071 119.914 0.008 0.000 3.083 56 V HA 0.728 4.848 4.120 -0.000 0.000 0.306 56 V C 0.136 176.234 176.094 0.006 0.000 1.077 56 V CA -0.481 61.823 62.300 0.007 0.000 1.073 56 V CB 0.215 32.042 31.823 0.007 0.000 1.081 56 V HN 0.828 nan 8.190 nan 0.000 0.474 57 L N 0.000 121.226 121.223 0.005 0.000 0.000 57 L HA 0.000 4.340 4.340 -0.000 0.000 0.000 57 L CA 0.000 54.843 54.840 0.004 0.000 0.000 57 L CB 0.000 42.062 42.059 0.004 0.000 0.000 57 L HN 0.000 nan 8.230 nan 0.000 0.000