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 2ebv_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGSSS SCTVTTGTLG FGDKFKRPIG SWECSVCCVS NNAEDNKCVS DATA SEQUENCE CMSEKPG 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 1 G C 0.000 174.901 174.900 0.001 0.000 0.946 1 G CA 0.000 45.101 45.100 0.001 0.000 0.502 2 S N 3.068 118.769 115.700 0.001 0.000 2.547 2 S HA 0.206 4.677 4.470 0.002 0.000 0.281 2 S C -0.483 174.118 174.600 0.002 0.000 1.118 2 S CA -0.374 57.827 58.200 0.002 0.000 0.947 2 S CB 1.274 64.475 63.200 0.002 0.000 1.053 2 S HN 0.072 8.383 8.310 0.001 0.000 0.482 3 S N 3.186 118.887 115.700 0.002 0.000 2.664 3 S HA 0.151 4.622 4.470 0.002 0.000 0.304 3 S C 0.085 174.686 174.600 0.002 0.000 1.099 3 S CA 0.054 58.255 58.200 0.002 0.000 1.003 3 S CB 0.552 63.753 63.200 0.001 0.000 1.092 3 S HN 0.220 8.531 8.310 0.002 0.000 0.525 4 G N 3.257 112.058 108.800 0.002 0.000 2.325 4 G HA2 -0.094 3.867 3.960 0.002 0.000 0.214 4 G HA3 -0.094 3.867 3.960 0.002 0.000 0.214 4 G C -1.830 173.071 174.900 0.002 0.000 1.087 4 G CA -0.197 44.904 45.100 0.002 0.000 0.811 4 G HN 0.555 8.846 8.290 0.002 0.000 0.486 5 S N -1.183 114.518 115.700 0.002 0.000 2.661 5 S HA 0.076 4.547 4.470 0.002 0.000 0.268 5 S C -1.316 173.285 174.600 0.002 0.000 1.162 5 S CA -0.476 57.725 58.200 0.002 0.000 0.817 5 S CB 1.351 64.552 63.200 0.002 0.000 1.141 5 S HN -0.436 7.876 8.310 0.002 0.000 0.477 6 S N 1.734 117.435 115.700 0.002 0.000 2.410 6 S HA 0.123 4.594 4.470 0.002 0.000 0.304 6 S C -0.040 174.562 174.600 0.002 0.000 1.095 6 S CA 0.040 58.242 58.200 0.002 0.000 1.089 6 S CB -0.441 62.760 63.200 0.002 0.000 0.968 6 S HN 0.245 8.556 8.310 0.002 0.000 0.480 7 G N 5.125 113.926 108.800 0.002 0.000 2.892 7 G HA2 -0.327 3.633 3.960 0.001 0.000 0.686 7 G HA3 -0.327 3.633 3.960 0.002 0.000 0.686 7 G C -1.322 173.579 174.900 0.002 0.000 1.244 7 G CA -0.516 44.585 45.100 0.002 0.000 0.947 7 G HN 0.028 8.319 8.290 0.002 0.000 0.584 8 S N 1.791 117.492 115.700 0.001 0.000 2.506 8 S HA -0.210 4.261 4.470 0.002 0.000 0.291 8 S C 0.265 174.866 174.600 0.002 0.000 1.230 8 S CA 0.805 59.006 58.200 0.001 0.000 1.107 8 S CB 0.623 63.824 63.200 0.001 0.000 0.942 8 S HN 0.009 8.320 8.310 0.001 0.000 0.502 9 S N 6.641 122.342 115.700 0.002 0.000 2.718 9 S HA 0.247 4.718 4.470 0.002 0.000 0.294 9 S C -0.830 173.772 174.600 0.003 0.000 1.157 9 S CA -0.605 57.597 58.200 0.002 0.000 1.121 9 S CB 1.362 64.564 63.200 0.003 0.000 1.015 9 S HN 0.137 8.448 8.310 0.002 0.000 0.479 10 S N 4.252 119.954 115.700 0.002 0.000 2.548 10 S HA 0.114 4.585 4.470 0.002 0.000 0.277 10 S C -0.182 174.420 174.600 0.003 0.000 1.315 10 S CA 0.191 58.392 58.200 0.002 0.000 1.050 10 S CB 0.458 63.659 63.200 0.001 0.000 0.918 10 S HN 0.073 8.385 8.310 0.002 0.000 0.497 11 S N 4.477 120.179 115.700 0.003 0.000 2.648 11 S HA 0.269 4.742 4.470 0.005 0.000 0.305 11 S C -0.334 174.268 174.600 0.004 0.000 1.094 11 S CA -0.633 57.570 58.200 0.005 0.000 0.983 11 S CB 1.881 65.084 63.200 0.006 0.000 1.101 11 S HN 0.294 8.606 8.310 0.003 0.000 0.514 12 C N -0.093 119.210 119.300 0.006 0.000 2.563 12 C HA 0.096 4.558 4.460 0.003 0.000 0.346 12 C C 0.125 175.119 174.990 0.007 0.000 1.334 12 C CA -0.208 58.813 59.018 0.005 0.000 1.938 12 C CB 0.476 28.219 27.740 0.005 0.000 2.445 12 C HN 0.414 8.648 8.230 0.007 0.000 0.541 13 T N 3.964 118.524 114.554 0.010 0.000 2.932 13 T HA -0.127 4.231 4.350 0.014 0.000 0.312 13 T C -0.798 173.909 174.700 0.011 0.000 1.071 13 T CA 0.184 62.292 62.100 0.012 0.000 1.128 13 T CB 0.658 69.534 68.868 0.014 0.000 0.984 13 T HN -0.732 7.514 8.240 0.010 0.000 0.549 14 V N 3.693 123.614 119.914 0.012 0.000 2.427 14 V HA -0.014 4.111 4.120 0.009 0.000 0.268 14 V C -0.194 175.907 176.094 0.011 0.000 1.046 14 V CA 0.255 62.561 62.300 0.011 0.000 0.970 14 V CB -0.159 31.671 31.823 0.012 0.000 1.001 14 V HN 0.218 8.417 8.190 0.015 0.000 0.476 15 T N 7.670 122.230 114.554 0.009 0.000 2.926 15 T HA -0.078 4.277 4.350 0.009 0.000 0.307 15 T C 0.114 174.819 174.700 0.009 0.000 1.059 15 T CA 0.852 62.957 62.100 0.008 0.000 1.122 15 T CB 0.618 69.490 68.868 0.007 0.000 0.972 15 T HN 0.244 8.489 8.240 0.008 0.000 0.545 16 T N 0.466 115.025 114.554 0.009 0.000 3.996 16 T HA -0.336 4.019 4.350 0.008 0.000 0.348 16 T C -1.086 173.620 174.700 0.010 0.000 0.757 16 T CA 0.408 62.514 62.100 0.008 0.000 1.898 16 T CB -1.621 67.252 68.868 0.007 0.000 1.861 16 T HN 0.259 8.504 8.240 0.008 0.000 0.821 17 G N -0.013 108.794 108.800 0.012 0.000 1.788 17 G HA2 -0.065 3.904 3.960 0.014 0.000 0.267 17 G HA3 -0.065 3.903 3.960 0.013 0.000 0.267 17 G C -2.365 172.545 174.900 0.017 0.000 1.786 17 G CA -0.126 44.983 45.100 0.014 0.000 0.915 17 G HN -0.479 7.808 8.290 0.012 0.011 0.625 18 T N 0.782 115.347 114.554 0.019 0.000 2.859 18 T HA 0.299 4.663 4.350 0.024 0.000 0.281 18 T C 0.003 174.721 174.700 0.030 0.000 1.005 18 T CA -0.780 61.334 62.100 0.024 0.000 1.025 18 T CB 1.389 70.270 68.868 0.023 0.000 0.977 18 T HN -0.223 8.028 8.240 0.018 0.000 0.458 19 L N 2.300 123.546 121.223 0.038 0.000 2.235 19 L HA 0.580 4.949 4.340 0.047 0.000 0.260 19 L C -0.684 176.227 176.870 0.068 0.000 1.025 19 L CA -1.629 53.241 54.840 0.050 0.000 0.836 19 L CB 1.041 43.130 42.059 0.050 0.000 1.395 19 L HN 0.140 8.392 8.230 0.036 0.000 0.443 20 G N -1.778 107.080 108.800 0.097 0.000 2.620 20 G HA2 0.210 4.244 3.960 0.124 0.000 0.301 20 G HA3 0.210 4.243 3.960 0.122 0.000 0.301 20 G C -0.961 174.091 174.900 0.253 0.000 1.347 20 G CA 0.071 45.255 45.100 0.140 0.000 0.971 20 G HN -0.184 8.164 8.290 0.096 0.000 0.488 21 F N 0.628 120.618 119.950 0.066 0.000 3.074 21 F HA -0.346 4.277 4.527 0.159 0.000 0.287 21 F C 0.233 176.102 175.800 0.115 0.000 0.932 21 F CA -1.115 56.952 58.000 0.112 0.000 0.995 21 F CB -0.638 38.416 39.000 0.090 0.000 0.966 21 F HN 0.393 8.859 8.300 0.277 0.000 0.721 22 G N -0.604 108.222 108.800 0.043 0.000 2.545 22 G HA2 -0.355 3.615 3.960 0.016 0.000 0.222 22 G HA3 -0.355 3.600 3.960 -0.009 0.000 0.222 22 G C -0.946 173.869 174.900 -0.143 0.000 1.126 22 G CA 1.310 46.398 45.100 -0.021 0.000 0.754 22 G HN 0.584 8.932 8.290 0.096 0.000 0.583 23 D N -4.052 116.172 120.400 -0.293 0.000 2.533 23 D HA 0.110 4.566 4.640 -0.308 0.000 0.247 23 D C -1.805 174.004 176.300 -0.818 0.000 1.056 23 D CA -1.941 51.806 54.000 -0.421 0.000 1.054 23 D CB 1.870 42.449 40.800 -0.368 0.000 1.400 23 D HN -0.613 7.598 8.370 -0.239 0.015 0.533 24 K N -1.813 118.231 120.400 -0.594 0.000 2.098 24 K HA 0.095 4.004 4.320 -0.685 0.000 0.257 24 K C -0.606 175.759 176.600 -0.392 0.000 0.999 24 K CA -0.519 55.511 56.287 -0.429 0.000 0.924 24 K CB 0.841 33.283 32.500 -0.098 0.000 1.028 24 K HN 0.050 8.051 8.250 -0.415 0.000 0.466 25 F N 0.118 120.094 119.950 0.044 0.000 2.612 25 F HA 0.076 4.611 4.527 0.013 0.000 0.332 25 F C -0.837 175.031 175.800 0.113 0.000 1.167 25 F CA -1.030 57.022 58.000 0.086 0.000 0.970 25 F CB 3.116 42.217 39.000 0.168 0.000 1.234 25 F HN -0.042 8.569 8.300 0.518 0.000 0.453 26 K N 4.721 125.218 120.400 0.162 0.000 2.382 26 K HA -0.053 4.339 4.320 0.120 0.000 0.286 26 K C -0.529 176.156 176.600 0.142 0.000 1.062 26 K CA 0.894 57.254 56.287 0.121 0.000 1.000 26 K CB 0.200 32.732 32.500 0.054 0.000 0.954 26 K HN 0.354 8.641 8.250 0.061 0.000 0.470 27 R N 5.787 126.367 120.500 0.133 0.000 2.686 27 R HA 0.400 4.796 4.340 0.093 0.000 0.283 27 R C -2.382 173.967 176.300 0.081 0.000 0.978 27 R CA -3.159 53.008 56.100 0.110 0.000 0.897 27 R CB -0.528 29.852 30.300 0.133 0.000 1.192 27 R HN 0.078 8.428 8.270 0.133 0.000 0.457 28 P HA 0.247 4.695 4.420 0.047 0.000 0.272 28 P C -0.126 177.213 177.300 0.065 0.000 1.240 28 P CA -0.744 62.387 63.100 0.052 0.000 0.791 28 P CB 0.697 32.418 31.700 0.035 0.000 0.978 29 I N 0.105 120.708 120.570 0.056 0.000 2.141 29 I HA -0.276 3.929 4.170 0.059 0.000 0.236 29 I C 1.479 177.638 176.117 0.070 0.000 1.071 29 I CA 1.737 63.071 61.300 0.057 0.000 1.345 29 I CB -0.056 37.969 38.000 0.042 0.000 1.066 29 I HN -0.069 8.169 8.210 0.046 0.000 0.406 30 G N -0.981 107.859 108.800 0.065 0.000 2.604 30 G HA2 -0.112 3.893 3.960 0.074 0.000 0.216 30 G HA3 -0.112 3.888 3.960 0.067 0.000 0.216 30 G C -0.257 174.722 174.900 0.132 0.000 1.265 30 G CA 0.415 45.563 45.100 0.080 0.000 0.804 30 G HN -0.237 8.084 8.290 0.053 0.000 0.579 31 S N 0.159 115.927 115.700 0.114 0.000 2.611 31 S HA -0.073 4.611 4.470 0.224 -0.080 0.252 31 S C -1.171 173.566 174.600 0.228 0.000 1.369 31 S CA 1.093 59.374 58.200 0.134 0.000 0.975 31 S CB 0.439 63.630 63.200 -0.016 0.000 0.937 31 S HN -0.343 8.010 8.310 0.072 0.000 0.584 32 W N -2.328 118.976 121.300 0.007 0.000 2.998 32 W HA 0.247 4.912 4.660 0.008 0.000 0.335 32 W C -1.951 174.572 176.519 0.007 0.000 1.110 32 W CA -1.813 55.534 57.345 0.005 0.000 1.230 32 W CB 1.390 30.847 29.460 -0.004 0.000 1.405 32 W HN -0.330 7.653 8.180 -0.329 0.000 0.493 33 E N 3.610 123.875 120.200 0.108 0.000 2.152 33 E HA -0.100 4.172 4.350 -0.130 0.000 0.285 33 E C -0.519 176.118 176.600 0.061 0.000 1.043 33 E CA -0.583 55.817 56.400 0.000 0.000 0.839 33 E CB 0.121 29.852 29.700 0.051 0.000 1.069 33 E HN -0.083 8.386 8.360 0.182 0.000 0.399 34 C N 6.586 125.858 119.300 -0.047 0.000 2.837 34 C HA -0.137 4.489 4.460 0.277 0.000 0.381 34 C C 0.825 175.833 174.990 0.031 0.000 1.298 34 C CA 1.271 60.327 59.018 0.063 0.000 2.083 34 C CB 0.575 28.296 27.740 -0.031 0.000 2.664 34 C HN -0.167 8.007 8.230 -0.208 -0.068 0.736 35 S N 0.683 116.408 115.700 0.042 0.000 2.665 35 S HA 0.091 4.506 4.470 -0.092 0.000 0.240 35 S C 1.157 175.744 174.600 -0.023 0.000 1.081 35 S CA 1.380 59.565 58.200 -0.026 0.000 0.887 35 S CB 0.802 63.996 63.200 -0.011 0.000 0.805 35 S HN 0.417 8.783 8.310 0.093 0.000 0.486 36 V N -1.132 118.789 119.914 0.012 0.000 2.379 36 V HA -0.216 3.907 4.120 0.004 0.000 0.245 36 V C 0.884 176.980 176.094 0.004 0.000 1.044 36 V CA 2.436 64.742 62.300 0.010 0.000 1.036 36 V CB -0.250 31.588 31.823 0.025 0.000 0.664 36 V HN -0.082 8.131 8.190 0.038 0.000 0.453 37 C N -4.820 114.481 119.300 0.001 0.000 3.270 37 C HA 0.218 4.679 4.460 0.001 0.000 0.369 37 C C -0.137 174.846 174.990 -0.012 0.000 1.326 37 C CA -1.717 57.298 59.018 -0.005 0.000 1.846 37 C CB 0.616 28.350 27.740 -0.009 0.000 2.534 37 C HN -0.447 7.787 8.230 0.007 0.000 0.649 38 C N -0.317 118.967 119.300 -0.026 0.000 4.454 38 C HA -0.374 4.327 4.460 -0.044 -0.268 0.301 38 C C -1.143 173.826 174.990 -0.035 0.000 1.366 38 C CA 0.889 59.889 59.018 -0.030 0.000 2.016 38 C CB -2.412 25.327 27.740 -0.002 0.000 1.253 38 C HN -0.156 8.061 8.230 -0.022 0.000 0.770 39 V N -1.221 118.644 119.914 -0.082 0.000 2.630 39 V HA 0.122 4.200 4.120 -0.070 0.000 0.305 39 V C -0.156 175.819 176.094 -0.199 0.000 1.046 39 V CA -1.648 60.588 62.300 -0.107 0.000 0.934 39 V CB 3.107 34.872 31.823 -0.097 0.000 1.003 39 V HN -0.814 7.321 8.190 -0.092 0.000 0.451 40 S N 4.689 120.286 115.700 -0.172 0.000 2.558 40 S HA -0.153 4.168 4.470 -0.248 0.000 0.288 40 S C -0.561 173.826 174.600 -0.356 0.000 1.318 40 S CA 1.950 60.012 58.200 -0.230 0.000 1.056 40 S CB 0.470 63.587 63.200 -0.139 0.000 0.853 40 S HN 0.399 8.640 8.310 -0.116 0.000 0.505 41 N N 2.825 121.196 118.700 -0.548 0.000 2.831 41 N HA 0.139 4.625 4.740 -0.423 0.000 0.276 41 N C -1.786 173.469 175.510 -0.425 0.000 1.416 41 N CA -0.594 52.049 53.050 -0.677 0.000 0.799 41 N CB 3.098 40.633 38.487 -1.587 0.000 1.554 41 N HN -0.314 7.746 8.380 -0.534 0.000 0.541 42 N N -0.746 117.856 118.700 -0.162 0.000 2.425 42 N HA 0.183 4.927 4.740 0.008 0.000 0.268 42 N C 0.051 175.757 175.510 0.325 0.000 0.991 42 N CA -0.889 52.194 53.050 0.054 0.000 0.931 42 N CB 0.494 39.018 38.487 0.062 0.000 1.130 42 N HN 0.291 8.601 8.380 -0.116 0.000 0.493 43 A N 4.658 127.662 122.820 0.305 0.000 1.896 43 A HA -0.446 4.227 4.320 0.590 0.000 0.220 43 A C 0.301 178.025 177.584 0.233 0.000 1.206 43 A CA 3.349 55.599 52.037 0.354 0.000 0.647 43 A CB -0.163 18.952 19.000 0.191 0.000 0.828 43 A HN 0.535 8.796 8.150 0.184 0.000 0.455 44 E N -2.998 117.296 120.200 0.157 0.000 2.077 44 E HA -0.261 4.129 4.350 0.066 0.000 0.193 44 E C -0.266 176.406 176.600 0.120 0.000 0.989 44 E CA 1.188 57.648 56.400 0.100 0.000 0.800 44 E CB -0.577 29.166 29.700 0.071 0.000 0.746 44 E HN 0.060 8.506 8.360 0.140 -0.002 0.452 45 D N 1.510 122.025 120.400 0.192 0.000 2.412 45 D HA -0.078 4.643 4.640 0.135 0.000 0.257 45 D C -0.318 176.131 176.300 0.248 0.000 1.217 45 D CA 0.936 55.063 54.000 0.212 0.000 0.897 45 D CB -0.094 40.846 40.800 0.232 0.000 1.132 45 D HN -0.530 7.862 8.370 0.207 0.102 0.493 46 N N 2.625 121.390 118.700 0.109 0.000 2.421 46 N HA -0.155 4.521 4.740 -0.107 0.000 0.201 46 N C -1.212 174.327 175.510 0.048 0.000 1.198 46 N CA 0.354 53.404 53.050 0.001 0.000 0.838 46 N CB 0.347 38.816 38.487 -0.030 0.000 1.011 46 N HN 0.233 8.664 8.380 0.086 0.000 0.463 47 K N -3.413 117.126 120.400 0.232 0.000 2.578 47 K HA 0.327 4.949 4.320 0.248 -0.154 0.287 47 K C -2.266 174.576 176.600 0.403 0.000 1.010 47 K CA -1.383 55.066 56.287 0.271 0.000 0.889 47 K CB 4.233 36.814 32.500 0.135 0.000 1.514 47 K HN -0.665 7.645 8.250 0.306 0.123 0.424 48 C N -1.480 117.999 119.300 0.299 0.000 2.396 48 C HA 0.189 4.658 4.460 0.015 0.000 0.359 48 C C 0.467 175.484 174.990 0.045 0.000 1.307 48 C CA -0.662 58.427 59.018 0.118 0.000 2.392 48 C CB 1.313 29.103 27.740 0.084 0.000 2.245 48 C HN 0.092 8.549 8.230 0.257 -0.073 0.615 49 V N -1.955 117.947 119.914 -0.020 0.000 3.484 49 V HA 0.284 4.409 4.120 0.007 0.000 0.252 49 V C 0.180 176.264 176.094 -0.016 0.000 1.282 49 V CA 1.624 63.915 62.300 -0.014 0.000 1.104 49 V CB 0.562 32.366 31.823 -0.032 0.000 0.868 49 V HN 0.392 8.539 8.190 -0.071 0.000 0.457 50 S N 1.116 116.798 115.700 -0.030 0.000 2.388 50 S HA -0.078 4.381 4.470 -0.018 0.000 0.223 50 S C 0.889 175.486 174.600 -0.006 0.000 1.034 50 S CA 2.189 60.376 58.200 -0.022 0.000 0.963 50 S CB 0.404 63.584 63.200 -0.034 0.000 0.827 50 S HN 0.358 8.637 8.310 -0.050 0.000 0.481 51 C N -4.354 114.948 119.300 0.003 0.000 3.364 51 C HA 0.268 4.735 4.460 0.012 0.000 0.340 51 C C -0.555 174.453 174.990 0.030 0.000 1.336 51 C CA -1.365 57.663 59.018 0.017 0.000 1.778 51 C CB 1.904 29.657 27.740 0.021 0.000 2.398 51 C HN -0.403 7.826 8.230 -0.002 0.000 0.667 52 M N -0.581 119.043 119.600 0.040 0.000 2.353 52 M HA -0.362 4.325 4.480 0.066 -0.168 0.202 52 M C -1.397 174.945 176.300 0.069 0.000 0.434 52 M CA 0.688 56.020 55.300 0.054 0.000 0.477 52 M CB -2.767 29.855 32.600 0.036 0.000 1.592 52 M HN -0.344 7.965 8.290 0.032 0.000 0.895 53 S N -2.048 113.712 115.700 0.099 0.000 2.525 53 S HA 0.231 4.740 4.470 0.065 0.000 0.290 53 S C -0.046 174.630 174.600 0.126 0.000 1.152 53 S CA -1.389 56.870 58.200 0.098 0.000 1.072 53 S CB 1.978 65.236 63.200 0.097 0.000 1.027 53 S HN -0.646 7.732 8.310 0.115 0.000 0.500 54 E N 3.455 123.691 120.200 0.060 0.000 2.529 54 E HA -0.268 4.217 4.350 0.022 -0.122 0.259 54 E C -0.384 176.186 176.600 -0.050 0.000 0.966 54 E CA 0.087 56.493 56.400 0.010 0.000 0.937 54 E CB -0.072 29.616 29.700 -0.020 0.000 0.923 54 E HN 0.282 8.667 8.360 0.042 0.000 0.468 55 K N 5.538 125.817 120.400 -0.201 0.000 2.401 55 K HA -0.058 3.803 4.320 -0.766 0.000 0.278 55 K C -1.177 175.162 176.600 -0.434 0.000 1.018 55 K CA -1.418 54.481 56.287 -0.646 0.000 0.981 55 K CB 0.135 31.975 32.500 -1.100 0.000 0.933 55 K HN -0.039 8.024 8.250 -0.144 0.100 0.477 56 P HA 0.045 4.370 4.420 -0.158 0.000 0.271 56 P C -0.254 176.901 177.300 -0.241 0.000 1.216 56 P CA 0.248 63.214 63.100 -0.223 0.000 0.771 56 P CB 0.134 31.753 31.700 -0.135 0.000 0.864 57 G N 0.000 108.700 108.800 -0.166 0.000 5.446 57 G HA2 0.000 nan 3.960 nan 0.000 0.244 57 G HA3 0.000 3.871 3.960 -0.148 0.000 0.244 57 G CA 0.000 45.014 45.100 -0.144 0.000 0.502 57 G HN 0.000 8.209 8.290 -0.135 0.000 0.925