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 1rgb_1_B DATA FIRST_RESID 1 DATA SEQUENCE NLFQFAKMIN GKLGXAFSVW NYISYGcYcG WGGQGTPKDA TDRccFVHDc DATA SEQUENCE cYGRVRXXGX cXXXXXNPKL AIYSYSFKKG NIVcGKXNNG cLRDIcEcDR DATA SEQUENCE VAANcFHQNK NTYNKNYKFL SSXSRcRQTS EQc 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 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.613 175.510 0.172 0.000 1.280 1 N CA 0.000 53.012 53.050 -0.063 0.000 0.885 1 N CB 0.000 38.468 38.487 -0.032 0.000 1.341 2 L N -1.438 119.907 121.223 0.203 0.000 2.953 2 L HA 0.549 4.889 4.340 -0.001 0.000 0.258 2 L C 1.065 178.137 176.870 0.336 0.000 1.100 2 L CA 0.051 55.083 54.840 0.320 0.000 0.971 2 L CB -0.060 42.126 42.059 0.211 0.000 1.474 2 L HN 0.421 nan 8.230 nan 0.000 0.540 3 F N -0.056 119.960 119.950 0.110 0.000 2.186 3 F HA -0.223 4.304 4.527 -0.001 0.000 0.299 3 F C 2.220 178.065 175.800 0.075 0.000 1.090 3 F CA 1.029 59.078 58.000 0.083 0.000 1.307 3 F CB 0.465 39.494 39.000 0.048 0.000 1.019 3 F HN 0.200 nan 8.300 nan 0.000 0.489 4 Q N -0.346 119.601 119.800 0.244 0.000 1.969 4 Q HA -0.208 4.131 4.340 -0.001 0.000 0.198 4 Q C 2.009 178.098 176.000 0.148 0.000 0.978 4 Q CA 1.588 57.435 55.803 0.073 0.000 0.830 4 Q CB -0.515 28.102 28.738 -0.202 0.000 0.896 4 Q HN 0.340 nan 8.270 nan 0.000 0.431 5 F N 1.537 121.531 119.950 0.074 0.000 2.167 5 F HA -0.328 4.198 4.527 -0.001 0.000 0.301 5 F C 1.892 177.753 175.800 0.102 0.000 1.066 5 F CA 1.407 59.469 58.000 0.104 0.000 1.285 5 F CB -0.671 38.447 39.000 0.198 0.000 1.032 5 F HN 0.060 nan 8.300 nan 0.000 0.495 6 A N 0.018 122.923 122.820 0.143 0.000 1.841 6 A HA -0.180 4.140 4.320 -0.001 0.000 0.214 6 A C 2.363 179.949 177.584 0.002 0.000 1.195 6 A CA 1.724 53.774 52.037 0.022 0.000 0.611 6 A CB -0.679 18.420 19.000 0.165 0.000 0.835 6 A HN 0.402 nan 8.150 nan 0.000 0.443 7 K N -1.090 119.349 120.400 0.065 0.000 2.097 7 K HA -0.066 4.254 4.320 -0.001 0.000 0.205 7 K C 2.117 178.821 176.600 0.173 0.000 1.050 7 K CA 1.421 57.752 56.287 0.074 0.000 0.938 7 K CB -0.240 32.337 32.500 0.130 0.000 0.718 7 K HN 0.589 nan 8.250 nan 0.000 0.442 8 M N 0.868 120.574 119.600 0.176 0.000 2.213 8 M HA -0.184 4.296 4.480 -0.001 0.000 0.263 8 M C 1.785 178.216 176.300 0.218 0.000 1.062 8 M CA 1.500 56.951 55.300 0.252 0.000 1.105 8 M CB 0.013 32.683 32.600 0.118 0.000 1.385 8 M HN 0.111 nan 8.290 nan 0.000 0.417 9 I N 0.258 120.855 120.570 0.045 0.000 2.130 9 I HA -0.329 3.841 4.170 -0.001 0.000 0.232 9 I C 2.076 178.207 176.117 0.023 0.000 1.064 9 I CA 1.143 62.431 61.300 -0.021 0.000 1.338 9 I CB -0.762 37.110 38.000 -0.213 0.000 1.084 9 I HN 0.335 nan 8.210 nan 0.000 0.404 10 N N 1.203 119.875 118.700 -0.047 0.000 2.112 10 N HA -0.250 4.489 4.740 -0.001 0.000 0.200 10 N C 1.786 177.272 175.510 -0.040 0.000 1.011 10 N CA 2.055 55.057 53.050 -0.080 0.000 0.891 10 N CB -1.029 37.360 38.487 -0.164 0.000 1.060 10 N HN 0.562 nan 8.380 nan 0.000 0.478 11 G N 1.872 110.665 108.800 -0.011 0.000 2.681 11 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.220 11 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.220 11 G C 1.382 176.283 174.900 0.002 0.000 1.210 11 G CA 0.926 45.934 45.100 -0.154 0.000 0.783 11 G HN 0.221 nan 8.290 nan 0.000 0.609 12 K N -0.063 120.522 120.400 0.308 0.000 2.504 12 K HA 0.276 4.595 4.320 -0.001 0.000 0.199 12 K C 0.617 177.350 176.600 0.222 0.000 1.028 12 K CA 0.055 56.532 56.287 0.317 0.000 1.164 12 K CB 0.183 32.902 32.500 0.366 0.000 0.877 12 K HN 0.273 nan 8.250 nan 0.000 0.508 13 L N -1.506 119.785 121.223 0.112 0.000 3.386 13 L HA 0.234 4.573 4.340 -0.001 0.000 0.307 13 L C 0.568 177.450 176.870 0.021 0.000 1.235 13 L CA 0.236 55.113 54.840 0.061 0.000 1.056 13 L CB 0.798 42.872 42.059 0.025 0.000 1.453 13 L HN 0.231 nan 8.230 nan 0.000 0.615 17 F N 0.819 120.634 119.950 -0.226 0.000 1.978 17 F HA -0.169 4.357 4.527 -0.001 0.000 0.270 17 F C 1.392 177.120 175.800 -0.120 0.000 0.626 17 F CA 0.865 58.688 58.000 -0.296 0.000 2.110 17 F CB -1.711 37.164 39.000 -0.208 0.000 2.674 17 F HN 0.458 nan 8.300 nan 0.000 0.270 18 S N -0.556 115.178 115.700 0.057 0.000 2.475 18 S HA 0.006 4.476 4.470 -0.001 0.000 0.224 18 S C 1.876 176.660 174.600 0.307 0.000 1.042 18 S CA 0.653 58.946 58.200 0.155 0.000 0.935 18 S CB 0.351 63.594 63.200 0.072 0.000 0.801 18 S HN 0.389 nan 8.310 nan 0.000 0.509 19 V N 1.288 121.291 119.914 0.148 0.000 2.546 19 V HA -0.168 3.952 4.120 -0.001 0.000 0.254 19 V C 1.494 177.996 176.094 0.680 0.000 1.076 19 V CA 1.658 64.127 62.300 0.281 0.000 1.087 19 V CB -0.544 31.381 31.823 0.169 0.000 0.674 19 V HN 0.734 nan 8.190 nan 0.000 0.470 20 W N -0.183 121.241 121.300 0.207 0.000 2.392 20 W HA -0.139 4.521 4.660 -0.001 0.000 0.279 20 W C 2.031 178.625 176.519 0.125 0.000 1.225 20 W CA 0.574 58.032 57.345 0.188 0.000 1.233 20 W CB -0.220 29.354 29.460 0.190 0.000 1.122 20 W HN 0.395 nan 8.180 nan 0.000 0.561 21 N N -0.739 118.154 118.700 0.323 0.000 2.461 21 N HA -0.055 4.684 4.740 -0.001 0.000 0.188 21 N C -0.063 175.224 175.510 -0.371 0.000 1.134 21 N CA 0.902 53.904 53.050 -0.078 0.000 0.878 21 N CB -0.352 37.922 38.487 -0.354 0.000 0.972 21 N HN 0.294 nan 8.380 nan 0.000 0.456 22 Y N -0.494 119.855 120.300 0.082 0.000 2.682 22 Y HA 0.373 4.922 4.550 -0.001 0.000 0.251 22 Y C 1.624 177.593 175.900 0.115 0.000 1.172 22 Y CA -0.443 57.665 58.100 0.013 0.000 1.186 22 Y CB 0.367 38.722 38.460 -0.174 0.000 1.216 22 Y HN -0.059 nan 8.280 nan 0.000 0.540 23 I N -0.769 119.946 120.570 0.242 0.000 2.193 23 I HA -0.098 4.071 4.170 -0.001 0.000 0.240 23 I C 0.595 176.905 176.117 0.322 0.000 1.084 23 I CA 1.310 62.773 61.300 0.272 0.000 1.365 23 I CB 0.402 38.524 38.000 0.203 0.000 1.064 23 I HN 0.124 nan 8.210 nan 0.000 0.410 24 S N -0.773 115.043 115.700 0.192 0.000 2.571 24 S HA 0.305 4.774 4.470 -0.001 0.000 0.238 24 S C -0.959 173.639 174.600 -0.003 0.000 1.153 24 S CA -0.629 57.693 58.200 0.204 0.000 1.141 24 S CB 0.332 63.795 63.200 0.438 0.000 1.133 24 S HN 0.302 nan 8.310 nan 0.000 0.464 25 Y N 3.418 123.681 120.300 -0.061 0.000 2.968 25 Y HA 0.688 5.238 4.550 -0.001 0.000 0.316 25 Y C 1.299 177.173 175.900 -0.044 0.000 1.359 25 Y CA 0.465 58.489 58.100 -0.126 0.000 1.107 25 Y CB 0.428 38.779 38.460 -0.182 0.000 1.374 25 Y HN 0.744 nan 8.280 nan 0.000 0.621 26 G N 0.513 109.308 108.800 -0.008 0.000 2.460 26 G HA2 -0.321 3.639 3.960 -0.001 0.000 1.026 26 G HA3 -0.321 3.639 3.960 -0.001 0.000 1.026 26 G C 0.611 175.491 174.900 -0.033 0.000 1.344 26 G CA 0.443 45.551 45.100 0.013 0.000 0.997 26 G HN 0.875 nan 8.290 nan 0.000 0.660 27 c N -1.162 117.395 118.600 -0.071 0.000 2.576 27 c HA 0.370 4.940 4.570 -0.001 0.000 0.267 27 c C 1.521 175.146 174.090 -0.775 0.000 1.364 27 c CA 0.612 56.710 56.329 -0.385 0.000 1.723 27 c CB -1.728 40.514 42.510 -0.446 0.000 1.778 27 c HN 0.539 nan 8.230 nan 0.000 0.572 28 Y N -2.759 117.645 120.300 0.173 0.000 2.524 28 Y HA 0.219 4.769 4.550 -0.001 0.000 0.276 28 Y C 1.623 177.642 175.900 0.198 0.000 1.155 28 Y CA -0.449 57.774 58.100 0.205 0.000 1.165 28 Y CB -0.376 38.251 38.460 0.278 0.000 1.306 28 Y HN 0.040 nan 8.280 nan 0.000 0.522 29 c N 2.069 120.874 118.600 0.341 0.000 2.657 29 c HA 0.434 5.004 4.570 -0.001 0.000 0.420 29 c C 1.650 175.886 174.090 0.243 0.000 1.323 29 c CA 0.789 57.296 56.329 0.297 0.000 1.894 29 c CB -0.531 42.172 42.510 0.322 0.000 2.681 29 c HN 0.885 nan 8.230 nan 0.000 0.613 30 G N 2.744 111.671 108.800 0.211 0.000 2.594 30 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.297 30 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.297 30 G C -0.463 174.524 174.900 0.145 0.000 1.273 30 G CA 0.350 45.562 45.100 0.188 0.000 0.974 30 G HN 0.855 nan 8.290 nan 0.000 0.552 31 W N 1.493 122.860 121.300 0.111 0.000 2.322 31 W HA 0.478 5.138 4.660 -0.001 0.000 0.328 31 W C 0.976 177.529 176.519 0.057 0.000 1.395 31 W CA 1.321 58.715 57.345 0.082 0.000 1.267 31 W CB 0.445 29.947 29.460 0.070 0.000 1.259 31 W HN 1.268 nan 8.180 nan 0.000 0.560 32 G N 0.005 108.930 108.800 0.208 0.000 2.498 32 G HA2 0.484 4.443 3.960 -0.001 0.000 0.181 32 G HA3 0.484 4.443 3.960 -0.001 0.000 0.181 32 G C -0.094 174.826 174.900 0.033 0.000 1.169 32 G CA 0.112 45.259 45.100 0.077 0.000 0.992 32 G HN 1.249 nan 8.290 nan 0.000 0.490 33 G N -0.372 108.361 108.800 -0.111 0.000 2.798 33 G HA2 0.514 4.474 3.960 -0.001 0.000 0.167 33 G HA3 0.514 4.474 3.960 -0.001 0.000 0.167 33 G C -0.263 174.619 174.900 -0.031 0.000 1.082 33 G CA 1.177 46.292 45.100 0.027 0.000 0.905 33 G HN 1.863 nan 8.290 nan 0.000 0.514 34 Q N -0.865 118.699 119.800 -0.393 0.000 2.907 34 Q HA 0.607 4.947 4.340 -0.001 0.000 0.310 34 Q C 0.874 176.812 176.000 -0.103 0.000 0.861 34 Q CA 0.183 55.931 55.803 -0.091 0.000 0.769 34 Q CB 0.576 29.281 28.738 -0.056 0.000 1.465 34 Q HN 2.121 nan 8.270 nan 0.000 0.449 35 G N 0.538 109.358 108.800 0.033 0.000 2.594 35 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.297 35 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.297 35 G C -0.333 174.652 174.900 0.141 0.000 1.273 35 G CA 0.405 45.529 45.100 0.039 0.000 0.974 35 G HN 1.406 nan 8.290 nan 0.000 0.552 36 T N -0.449 114.167 114.554 0.103 0.000 2.887 36 T HA 0.631 4.980 4.350 -0.001 0.000 0.288 36 T C -2.974 171.846 174.700 0.200 0.000 1.021 36 T CA -1.354 60.817 62.100 0.118 0.000 1.000 36 T CB 2.392 71.263 68.868 0.006 0.000 1.034 36 T HN 0.475 nan 8.240 nan 0.000 0.467 37 P HA 0.132 nan 4.420 nan 0.000 0.252 37 P C 0.553 177.944 177.300 0.153 0.000 1.183 37 P CA -0.042 63.201 63.100 0.238 0.000 0.973 37 P CB 0.262 31.971 31.700 0.016 0.000 0.990 38 K N 2.188 122.669 120.400 0.136 0.000 2.152 38 K HA -0.130 4.190 4.320 -0.001 0.000 0.206 38 K C 0.593 177.352 176.600 0.264 0.000 1.048 38 K CA 1.551 57.892 56.287 0.090 0.000 0.933 38 K CB -0.160 32.247 32.500 -0.154 0.000 0.721 38 K HN 0.380 nan 8.250 nan 0.000 0.447 39 D N -3.274 117.318 120.400 0.321 0.000 2.732 39 D HA 0.391 5.031 4.640 -0.001 0.000 0.229 39 D C 0.240 176.678 176.300 0.230 0.000 1.152 39 D CA 0.166 54.353 54.000 0.312 0.000 0.854 39 D CB 1.831 42.887 40.800 0.427 0.000 1.590 39 D HN -0.033 nan 8.370 nan 0.000 0.468 40 A N 1.817 124.730 122.820 0.155 0.000 1.892 40 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 40 A C 1.926 179.602 177.584 0.152 0.000 1.188 40 A CA 3.042 55.157 52.037 0.129 0.000 0.631 40 A CB -1.300 17.760 19.000 0.099 0.000 0.822 40 A HN 0.754 nan 8.150 nan 0.000 0.447 41 T N -1.537 113.094 114.554 0.129 0.000 2.652 41 T HA -0.238 4.111 4.350 -0.001 0.000 0.267 41 T C 1.561 176.337 174.700 0.126 0.000 1.039 41 T CA 1.838 63.988 62.100 0.083 0.000 1.153 41 T CB -0.799 67.969 68.868 -0.166 0.000 0.863 41 T HN 0.509 nan 8.240 nan 0.000 0.428 42 D N 0.818 121.341 120.400 0.205 0.000 2.311 42 D HA -0.105 4.535 4.640 -0.001 0.000 0.212 42 D C 2.280 178.787 176.300 0.346 0.000 0.972 42 D CA 0.684 54.906 54.000 0.371 0.000 0.887 42 D CB -0.227 40.910 40.800 0.562 0.000 0.915 42 D HN 0.431 nan 8.370 nan 0.000 0.497 43 R N -0.870 119.783 120.500 0.254 0.000 2.127 43 R HA 0.017 4.357 4.340 -0.001 0.000 0.217 43 R C 2.037 178.475 176.300 0.230 0.000 1.074 43 R CA 0.721 56.940 56.100 0.199 0.000 0.991 43 R CB -0.371 30.000 30.300 0.119 0.000 0.895 43 R HN 0.265 nan 8.270 nan 0.000 0.450 44 c N 0.186 118.926 118.600 0.233 0.000 2.385 44 c HA -0.235 4.334 4.570 -0.001 0.000 0.275 44 c C 2.858 177.098 174.090 0.250 0.000 1.207 44 c CA 0.731 57.199 56.329 0.231 0.000 1.760 44 c CB -0.999 41.709 42.510 0.331 0.000 2.051 44 c HN 0.674 nan 8.230 nan 0.000 0.467 45 c N -0.348 118.446 118.600 0.323 0.000 2.396 45 c HA -0.185 4.384 4.570 -0.001 0.000 0.281 45 c C 2.258 176.498 174.090 0.250 0.000 1.208 45 c CA 1.417 57.931 56.329 0.309 0.000 1.754 45 c CB -1.737 40.996 42.510 0.371 0.000 2.044 45 c HN 0.644 nan 8.230 nan 0.000 0.449 46 F N 1.296 121.275 119.950 0.049 0.000 2.077 46 F HA -0.318 4.208 4.527 -0.001 0.000 0.292 46 F C 2.250 178.010 175.800 -0.066 0.000 1.120 46 F CA 2.349 60.245 58.000 -0.173 0.000 1.246 46 F CB -1.185 37.592 39.000 -0.371 0.000 0.941 46 F HN 0.097 nan 8.300 nan 0.000 0.514 47 V N 0.519 120.467 119.914 0.056 0.000 2.244 47 V HA -0.495 3.625 4.120 -0.001 0.000 0.248 47 V C 2.535 178.568 176.094 -0.103 0.000 1.038 47 V CA 2.593 64.869 62.300 -0.041 0.000 1.026 47 V CB -1.211 30.643 31.823 0.052 0.000 0.660 47 V HN 0.667 nan 8.190 nan 0.000 0.472 48 H N 0.034 119.022 119.070 -0.136 0.000 2.375 48 H HA -0.277 4.278 4.556 -0.001 0.000 0.289 48 H C 2.051 177.180 175.328 -0.333 0.000 1.121 48 H CA 2.759 58.667 56.048 -0.235 0.000 1.207 48 H CB -0.366 29.246 29.762 -0.250 0.000 1.355 48 H HN 0.628 nan 8.280 nan 0.000 0.486 49 D N -0.397 119.942 120.400 -0.101 0.000 2.097 49 D HA -0.100 4.539 4.640 -0.001 0.000 0.197 49 D C 2.711 178.861 176.300 -0.250 0.000 0.984 49 D CA 1.425 55.319 54.000 -0.177 0.000 0.826 49 D CB -0.631 40.105 40.800 -0.105 0.000 0.973 49 D HN 0.379 nan 8.370 nan 0.000 0.460 50 c N 0.127 118.496 118.600 -0.384 0.000 2.418 50 c HA -0.201 4.368 4.570 -0.001 0.000 0.280 50 c C 2.968 176.951 174.090 -0.178 0.000 1.223 50 c CA 0.433 56.556 56.329 -0.343 0.000 1.736 50 c CB -1.114 41.148 42.510 -0.414 0.000 2.056 50 c HN 0.540 nan 8.230 nan 0.000 0.459 51 c N -0.047 118.458 118.600 -0.158 0.000 2.353 51 c HA -0.247 4.322 4.570 -0.001 0.000 0.272 51 c C 2.564 176.628 174.090 -0.043 0.000 1.165 51 c CA 1.735 58.002 56.329 -0.102 0.000 1.786 51 c CB -1.617 40.825 42.510 -0.114 0.000 2.071 51 c HN 0.648 nan 8.230 nan 0.000 0.451 52 Y N 1.118 121.223 120.300 -0.325 0.000 2.109 52 Y HA 0.068 4.617 4.550 -0.001 0.000 0.285 52 Y C 2.783 178.574 175.900 -0.181 0.000 1.131 52 Y CA 1.591 59.526 58.100 -0.275 0.000 1.121 52 Y CB -1.526 36.754 38.460 -0.300 0.000 0.987 52 Y HN 0.396 nan 8.280 nan 0.000 0.495 53 G N 0.373 109.180 108.800 0.011 0.000 2.562 53 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.223 53 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.223 53 G C 1.733 176.603 174.900 -0.050 0.000 1.102 53 G CA 1.548 46.626 45.100 -0.036 0.000 0.742 53 G HN 0.523 nan 8.290 nan 0.000 0.587 54 R N -0.470 119.991 120.500 -0.065 0.000 2.112 54 R HA 0.231 4.571 4.340 -0.001 0.000 0.216 54 R C 0.823 177.082 176.300 -0.069 0.000 1.080 54 R CA -0.059 56.003 56.100 -0.064 0.000 0.996 54 R CB -0.758 29.500 30.300 -0.070 0.000 0.902 54 R HN 0.052 nan 8.270 nan 0.000 0.449 55 V N 4.316 124.176 119.914 -0.090 0.000 2.800 55 V HA -0.199 3.920 4.120 -0.001 0.000 0.299 55 V C 0.516 176.559 176.094 -0.085 0.000 1.151 55 V CA 0.689 62.922 62.300 -0.112 0.000 1.297 55 V CB -0.630 31.087 31.823 -0.177 0.000 0.835 55 V HN 0.464 nan 8.190 nan 0.000 0.484 68 P HA -0.006 nan 4.420 nan 0.000 0.215 68 P C 1.165 178.456 177.300 -0.015 0.000 1.160 68 P CA 1.193 64.186 63.100 -0.178 0.000 0.869 68 P CB 0.378 31.772 31.700 -0.511 0.000 0.782 69 K N 0.239 120.676 120.400 0.063 0.000 2.228 69 K HA -0.132 4.188 4.320 -0.001 0.000 0.205 69 K C 1.327 177.938 176.600 0.019 0.000 1.045 69 K CA 1.734 58.065 56.287 0.074 0.000 0.931 69 K CB -1.105 31.424 32.500 0.047 0.000 0.727 69 K HN 0.150 nan 8.250 nan 0.000 0.458 70 L N -0.698 120.523 121.223 -0.004 0.000 2.858 70 L HA 0.413 4.753 4.340 -0.001 0.000 0.251 70 L C 0.266 177.118 176.870 -0.029 0.000 1.149 70 L CA -0.197 54.633 54.840 -0.016 0.000 0.955 70 L CB 0.283 42.335 42.059 -0.012 0.000 1.289 70 L HN 0.062 nan 8.230 nan 0.000 0.542 71 A N 1.797 124.592 122.820 -0.042 0.000 2.492 71 A HA 0.458 4.777 4.320 -0.001 0.000 0.254 71 A C -0.040 177.491 177.584 -0.087 0.000 1.091 71 A CA 0.102 52.112 52.037 -0.044 0.000 0.768 71 A CB -0.343 18.630 19.000 -0.045 0.000 1.028 71 A HN 0.260 nan 8.150 nan 0.000 0.498 72 I N 3.944 124.470 120.570 -0.074 0.000 2.339 72 I HA 0.469 4.639 4.170 -0.001 0.000 0.290 72 I C -0.346 175.730 176.117 -0.068 0.000 0.994 72 I CA -0.652 60.563 61.300 -0.143 0.000 1.191 72 I CB 0.673 38.639 38.000 -0.058 0.000 1.343 72 I HN 0.775 nan 8.210 nan 0.000 0.458 73 Y N 2.748 123.085 120.300 0.061 0.000 2.773 73 Y HA 0.717 5.267 4.550 -0.001 0.000 0.323 73 Y C -0.372 175.607 175.900 0.132 0.000 1.183 73 Y CA -2.100 56.039 58.100 0.064 0.000 1.144 73 Y CB 0.467 38.942 38.460 0.025 0.000 1.340 73 Y HN 0.319 nan 8.280 nan 0.000 0.531 74 S N 1.364 117.344 115.700 0.466 0.000 2.429 74 S HA 0.551 5.020 4.470 -0.001 0.000 0.302 74 S C -1.624 173.201 174.600 0.374 0.000 1.115 74 S CA -0.599 57.794 58.200 0.321 0.000 1.095 74 S CB -0.327 62.961 63.200 0.145 0.000 0.987 74 S HN 0.687 nan 8.310 nan 0.000 0.474 75 Y N 0.382 120.797 120.300 0.192 0.000 2.544 75 Y HA 0.785 5.334 4.550 -0.001 0.000 0.342 75 Y C -0.547 175.403 175.900 0.083 0.000 1.062 75 Y CA -1.140 57.018 58.100 0.097 0.000 1.023 75 Y CB 0.637 39.191 38.460 0.156 0.000 1.308 75 Y HN 0.559 nan 8.280 nan 0.000 0.457 76 S N 1.754 117.414 115.700 -0.066 0.000 2.745 76 S HA 0.714 5.184 4.470 -0.001 0.000 0.306 76 S C -1.355 173.220 174.600 -0.041 0.000 1.137 76 S CA -0.751 57.375 58.200 -0.124 0.000 0.900 76 S CB 1.985 65.148 63.200 -0.062 0.000 1.176 76 S HN 0.741 nan 8.310 nan 0.000 0.520 77 F N 0.888 120.812 119.950 -0.044 0.000 2.619 77 F HA 0.379 4.905 4.527 -0.001 0.000 0.382 77 F C -0.024 175.773 175.800 -0.005 0.000 1.466 77 F CA -0.732 57.270 58.000 0.005 0.000 1.137 77 F CB 0.705 39.712 39.000 0.012 0.000 1.205 77 F HN 0.310 nan 8.300 nan 0.000 0.525 78 K N 2.094 122.562 120.400 0.113 0.000 2.473 78 K HA -0.150 4.170 4.320 -0.001 0.000 0.277 78 K C 0.566 177.232 176.600 0.111 0.000 1.052 78 K CA 0.391 56.726 56.287 0.080 0.000 1.114 78 K CB 0.167 32.682 32.500 0.026 0.000 0.869 78 K HN 0.473 nan 8.250 nan 0.000 0.481 79 K N 1.548 122.005 120.400 0.096 0.000 4.007 79 K HA -0.258 4.062 4.320 -0.001 0.000 0.279 79 K C 0.585 177.271 176.600 0.143 0.000 0.919 79 K CA 0.723 57.062 56.287 0.086 0.000 0.800 79 K CB -1.624 30.909 32.500 0.056 0.000 1.572 79 K HN 1.020 nan 8.250 nan 0.000 0.443 80 G N 0.677 109.584 108.800 0.178 0.000 2.320 80 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.291 80 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.291 80 G C -0.052 175.176 174.900 0.547 0.000 0.994 80 G CA 1.000 46.236 45.100 0.228 0.000 0.760 80 G HN 0.743 nan 8.290 nan 0.000 0.514 81 N N -0.801 118.184 118.700 0.475 0.000 2.272 81 N HA 0.566 5.305 4.740 -0.001 0.000 0.305 81 N C 0.357 175.690 175.510 -0.294 0.000 1.103 81 N CA -0.971 52.186 53.050 0.178 0.000 0.791 81 N CB 0.874 39.396 38.487 0.058 0.000 1.356 81 N HN 0.125 nan 8.380 nan 0.000 0.486 82 I N 1.972 122.185 120.570 -0.596 0.000 2.683 82 I HA 0.119 4.289 4.170 -0.001 0.000 0.286 82 I C -0.353 175.568 176.117 -0.326 0.000 1.175 82 I CA -0.137 60.739 61.300 -0.707 0.000 1.429 82 I CB 0.131 37.850 38.000 -0.468 0.000 1.371 82 I HN 0.252 nan 8.210 nan 0.000 0.569 83 V N 3.526 123.288 119.914 -0.254 0.000 2.737 83 V HA 0.272 4.392 4.120 -0.001 0.000 0.298 83 V C -0.496 175.557 176.094 -0.069 0.000 1.163 83 V CA -0.886 61.337 62.300 -0.128 0.000 0.925 83 V CB 0.805 32.574 31.823 -0.091 0.000 1.037 83 V HN 0.786 nan 8.190 nan 0.000 0.433 84 c N 4.029 122.585 118.600 -0.075 0.000 2.452 84 c HA 0.753 5.322 4.570 -0.001 0.000 0.379 84 c C 1.722 175.789 174.090 -0.040 0.000 1.275 84 c CA 0.837 57.128 56.329 -0.063 0.000 2.056 84 c CB 0.589 43.014 42.510 -0.142 0.000 2.506 84 c HN 1.279 nan 8.230 nan 0.000 0.560 85 G N 2.910 111.709 108.800 -0.001 0.000 2.394 85 G HA2 0.172 4.131 3.960 -0.001 0.000 0.256 85 G HA3 0.172 4.131 3.960 -0.001 0.000 0.256 85 G C 0.144 175.035 174.900 -0.015 0.000 1.504 85 G CA -0.421 44.681 45.100 0.003 0.000 1.051 85 G HN 0.847 nan 8.290 nan 0.000 0.550 89 N N 1.292 119.973 118.700 -0.032 0.000 2.295 89 N HA 0.583 5.322 4.740 -0.001 0.000 0.293 89 N C -0.260 175.233 175.510 -0.029 0.000 1.040 89 N CA 0.604 53.636 53.050 -0.029 0.000 0.840 89 N CB 2.271 40.746 38.487 -0.020 0.000 1.468 89 N HN 0.312 nan 8.380 nan 0.000 0.478 90 G N 0.995 109.775 108.800 -0.034 0.000 2.619 90 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.686 90 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.686 90 G C 1.195 176.064 174.900 -0.052 0.000 1.256 90 G CA -0.394 44.685 45.100 -0.035 0.000 0.826 90 G HN 1.033 nan 8.290 nan 0.000 0.619 91 c N -0.319 118.247 118.600 -0.056 0.000 2.410 91 c HA 0.045 4.614 4.570 -0.001 0.000 0.281 91 c C 2.840 176.872 174.090 -0.096 0.000 1.318 91 c CA 1.749 58.029 56.329 -0.082 0.000 1.776 91 c CB -1.546 40.914 42.510 -0.082 0.000 1.942 91 c HN 0.822 nan 8.230 nan 0.000 0.508 92 L N 1.446 122.634 121.223 -0.058 0.000 2.127 92 L HA -0.115 4.224 4.340 -0.001 0.000 0.211 92 L C 3.030 179.833 176.870 -0.112 0.000 1.089 92 L CA 2.096 56.914 54.840 -0.036 0.000 0.757 92 L CB -1.097 40.986 42.059 0.040 0.000 0.899 92 L HN 0.472 nan 8.230 nan 0.000 0.434 93 R N 0.131 120.570 120.500 -0.100 0.000 2.094 93 R HA -0.204 4.136 4.340 -0.001 0.000 0.239 93 R C 1.830 178.029 176.300 -0.168 0.000 1.137 93 R CA 2.160 58.187 56.100 -0.122 0.000 0.943 93 R CB -0.423 29.823 30.300 -0.089 0.000 0.850 93 R HN 0.372 nan 8.270 nan 0.000 0.433 94 D N 1.241 121.548 120.400 -0.155 0.000 2.108 94 D HA -0.213 4.427 4.640 -0.001 0.000 0.190 94 D C 2.119 178.270 176.300 -0.249 0.000 0.995 94 D CA 1.473 55.365 54.000 -0.179 0.000 0.834 94 D CB -0.539 40.165 40.800 -0.159 0.000 0.967 94 D HN 0.218 nan 8.370 nan 0.000 0.446 95 I N 1.236 121.633 120.570 -0.287 0.000 2.068 95 I HA -0.307 3.863 4.170 -0.001 0.000 0.238 95 I C 2.862 178.729 176.117 -0.416 0.000 1.046 95 I CA 0.886 61.955 61.300 -0.385 0.000 1.306 95 I CB -1.617 36.230 38.000 -0.255 0.000 1.023 95 I HN 0.203 nan 8.210 nan 0.000 0.399 96 c N 1.028 119.266 118.600 -0.603 0.000 2.397 96 c HA -0.180 4.390 4.570 -0.001 0.000 0.286 96 c C 2.738 176.554 174.090 -0.456 0.000 1.308 96 c CA 1.017 56.813 56.329 -0.890 0.000 1.805 96 c CB -1.069 40.882 42.510 -0.933 0.000 1.952 96 c HN 0.429 nan 8.230 nan 0.000 0.518 97 E N 0.075 120.081 120.200 -0.324 0.000 2.016 97 E HA -0.094 4.256 4.350 -0.001 0.000 0.190 97 E C 2.293 178.776 176.600 -0.194 0.000 0.985 97 E CA 1.580 57.846 56.400 -0.224 0.000 0.802 97 E CB -0.935 28.658 29.700 -0.178 0.000 0.762 97 E HN 0.747 nan 8.360 nan 0.000 0.448 98 c N 1.584 120.063 118.600 -0.201 0.000 2.359 98 c HA -0.210 4.359 4.570 -0.001 0.000 0.279 98 c C 2.260 176.244 174.090 -0.176 0.000 1.191 98 c CA 1.028 57.253 56.329 -0.174 0.000 1.764 98 c CB -1.179 41.229 42.510 -0.170 0.000 2.026 98 c HN 0.445 nan 8.230 nan 0.000 0.442 99 D N 0.108 120.339 120.400 -0.281 0.000 2.204 99 D HA -0.197 4.442 4.640 -0.001 0.000 0.189 99 D C 2.082 178.401 176.300 0.032 0.000 1.006 99 D CA 1.749 55.585 54.000 -0.275 0.000 0.855 99 D CB -0.636 40.103 40.800 -0.101 0.000 0.946 99 D HN 0.529 nan 8.370 nan 0.000 0.448 100 R N 0.579 121.030 120.500 -0.081 0.000 2.196 100 R HA -0.214 4.125 4.340 -0.001 0.000 0.227 100 R C 2.278 178.534 176.300 -0.073 0.000 1.108 100 R CA 2.482 58.531 56.100 -0.086 0.000 0.884 100 R CB -0.772 29.446 30.300 -0.137 0.000 0.839 100 R HN 0.071 nan 8.270 nan 0.000 0.431 101 V N 1.251 121.110 119.914 -0.092 0.000 2.223 101 V HA -0.398 3.722 4.120 -0.001 0.000 0.253 101 V C 2.523 178.551 176.094 -0.109 0.000 1.061 101 V CA 2.381 64.631 62.300 -0.083 0.000 1.035 101 V CB -1.419 30.358 31.823 -0.076 0.000 0.653 101 V HN 0.755 nan 8.190 nan 0.000 0.454 102 A N 0.310 123.060 122.820 -0.116 0.000 1.877 102 A HA -0.332 3.988 4.320 -0.001 0.000 0.218 102 A C 2.498 179.689 177.584 -0.654 0.000 1.301 102 A CA 3.811 55.696 52.037 -0.253 0.000 0.699 102 A CB -1.584 17.420 19.000 0.006 0.000 0.844 102 A HN 1.012 nan 8.150 nan 0.000 0.464 103 A N -0.561 122.030 122.820 -0.381 0.000 1.969 103 A HA -0.375 3.945 4.320 -0.001 0.000 0.223 103 A C 1.926 179.400 177.584 -0.183 0.000 1.218 103 A CA 2.586 54.384 52.037 -0.398 0.000 0.667 103 A CB -1.281 17.735 19.000 0.027 0.000 0.826 103 A HN 0.811 nan 8.150 nan 0.000 0.472 104 N N -1.504 117.131 118.700 -0.108 0.000 2.092 104 N HA -0.140 4.600 4.740 -0.001 0.000 0.189 104 N C 1.860 177.406 175.510 0.060 0.000 1.040 104 N CA 1.143 54.195 53.050 0.003 0.000 0.845 104 N CB -0.350 38.114 38.487 -0.038 0.000 1.017 104 N HN 0.608 nan 8.380 nan 0.000 0.426 105 c N 1.048 119.639 118.600 -0.014 0.000 2.396 105 c HA -0.200 4.370 4.570 -0.001 0.000 0.279 105 c C 2.242 176.479 174.090 0.245 0.000 1.229 105 c CA 0.749 57.123 56.329 0.075 0.000 1.801 105 c CB -1.695 40.835 42.510 0.033 0.000 2.050 105 c HN 0.306 nan 8.230 nan 0.000 0.491 106 F N 0.659 120.672 119.950 0.106 0.000 2.000 106 F HA -0.100 4.426 4.527 -0.001 0.000 0.296 106 F C 2.607 178.503 175.800 0.160 0.000 1.159 106 F CA 2.068 60.132 58.000 0.106 0.000 1.183 106 F CB -1.986 36.999 39.000 -0.025 0.000 0.959 106 F HN 0.372 nan 8.300 nan 0.000 0.490 107 H N 1.039 120.287 119.070 0.295 0.000 2.437 107 H HA -0.198 4.358 4.556 -0.001 0.000 0.296 107 H C 1.911 177.324 175.328 0.142 0.000 1.121 107 H CA 2.117 58.272 56.048 0.177 0.000 1.255 107 H CB -0.328 29.516 29.762 0.137 0.000 1.366 107 H HN 0.465 nan 8.280 nan 0.000 0.512 108 Q N -0.359 119.648 119.800 0.346 0.000 2.364 108 Q HA -0.115 4.224 4.340 -0.001 0.000 0.209 108 Q C 0.355 176.469 176.000 0.190 0.000 0.977 108 Q CA 1.479 57.423 55.803 0.236 0.000 0.885 108 Q CB 0.112 28.942 28.738 0.154 0.000 0.941 108 Q HN 0.638 nan 8.270 nan 0.000 0.464 109 N N -0.951 117.867 118.700 0.196 0.000 2.301 109 N HA 0.022 4.762 4.740 -0.001 0.000 0.247 109 N C 0.097 175.688 175.510 0.135 0.000 1.347 109 N CA -0.103 53.035 53.050 0.146 0.000 0.844 109 N CB 0.482 39.051 38.487 0.138 0.000 1.332 109 N HN 0.117 nan 8.380 nan 0.000 0.494 110 K N 0.386 120.863 120.400 0.129 0.000 2.280 110 K HA -0.049 4.271 4.320 -0.001 0.000 0.202 110 K C 0.715 177.363 176.600 0.080 0.000 1.047 110 K CA 1.184 57.533 56.287 0.104 0.000 0.942 110 K CB -0.195 32.313 32.500 0.013 0.000 0.739 110 K HN 0.272 nan 8.250 nan 0.000 0.457 111 N N 1.020 119.756 118.700 0.061 0.000 2.331 111 N HA -0.079 4.660 4.740 -0.001 0.000 0.180 111 N C 0.440 175.986 175.510 0.060 0.000 1.019 111 N CA 1.299 54.377 53.050 0.046 0.000 0.881 111 N CB 0.091 38.600 38.487 0.037 0.000 0.972 111 N HN 0.360 nan 8.380 nan 0.000 0.435 112 T N -1.995 112.602 114.554 0.072 0.000 3.240 112 T HA 0.098 4.447 4.350 -0.001 0.000 0.248 112 T C -0.564 174.169 174.700 0.056 0.000 0.929 112 T CA -0.556 61.572 62.100 0.046 0.000 0.939 112 T CB -0.744 68.145 68.868 0.036 0.000 1.114 112 T HN 0.064 nan 8.240 nan 0.000 0.558 113 Y N 2.554 122.834 120.300 -0.033 0.000 2.326 113 Y HA 0.449 4.998 4.550 -0.001 0.000 0.337 113 Y C -0.505 175.367 175.900 -0.047 0.000 1.023 113 Y CA -1.825 56.269 58.100 -0.011 0.000 1.143 113 Y CB 0.790 39.215 38.460 -0.058 0.000 1.183 113 Y HN 0.254 nan 8.280 nan 0.000 0.485 114 N N 6.810 125.421 118.700 -0.148 0.000 2.609 114 N HA 0.082 4.821 4.740 -0.001 0.000 0.234 114 N C 0.701 176.175 175.510 -0.060 0.000 1.001 114 N CA -0.367 52.539 53.050 -0.239 0.000 0.926 114 N CB 1.727 39.657 38.487 -0.928 0.000 1.130 114 N HN 0.633 nan 8.380 nan 0.000 0.510 115 K N 2.777 123.314 120.400 0.229 0.000 2.089 115 K HA -0.197 4.122 4.320 -0.001 0.000 0.210 115 K C 1.423 178.063 176.600 0.066 0.000 1.048 115 K CA 1.584 58.005 56.287 0.223 0.000 0.926 115 K CB -0.105 32.469 32.500 0.125 0.000 0.714 115 K HN 0.544 nan 8.250 nan 0.000 0.448 116 N N -0.544 118.188 118.700 0.052 0.000 2.659 116 N HA -0.220 4.520 4.740 -0.001 0.000 0.194 116 N C 0.365 175.968 175.510 0.155 0.000 1.140 116 N CA 1.039 54.141 53.050 0.087 0.000 0.936 116 N CB -0.287 38.261 38.487 0.102 0.000 0.970 116 N HN 0.286 nan 8.380 nan 0.000 0.449 117 Y N 0.336 120.452 120.300 -0.306 0.000 2.507 117 Y HA 0.321 4.870 4.550 -0.001 0.000 0.254 117 Y C 0.588 176.141 175.900 -0.579 0.000 1.171 117 Y CA -0.915 56.867 58.100 -0.531 0.000 1.238 117 Y CB 0.284 38.172 38.460 -0.954 0.000 1.148 117 Y HN -0.137 nan 8.280 nan 0.000 0.525 118 K N 0.758 121.015 120.400 -0.238 0.000 2.276 118 K HA 0.120 4.439 4.320 -0.001 0.000 0.283 118 K C -0.394 176.065 176.600 -0.235 0.000 1.044 118 K CA -0.386 55.677 56.287 -0.373 0.000 0.944 118 K CB 0.326 32.592 32.500 -0.390 0.000 1.012 118 K HN 0.159 nan 8.250 nan 0.000 0.472 119 F N 0.587 120.521 119.950 -0.026 0.000 2.969 119 F HA -0.291 4.235 4.527 -0.001 0.000 0.273 119 F C 0.508 176.265 175.800 -0.072 0.000 0.986 119 F CA 0.120 58.097 58.000 -0.039 0.000 0.926 119 F CB -2.149 36.826 39.000 -0.042 0.000 0.887 119 F HN 0.406 nan 8.300 nan 0.000 0.816 120 L N -0.936 120.296 121.223 0.014 0.000 2.464 120 L HA 0.417 4.756 4.340 -0.001 0.000 0.224 120 L C 1.069 177.922 176.870 -0.028 0.000 1.219 120 L CA -0.145 54.661 54.840 -0.057 0.000 0.831 120 L CB 0.465 42.421 42.059 -0.171 0.000 1.284 120 L HN 0.341 nan 8.230 nan 0.000 0.522 121 S N -1.109 114.555 115.700 -0.060 0.000 2.536 121 S HA 0.400 4.869 4.470 -0.001 0.000 0.298 121 S C -0.132 174.432 174.600 -0.060 0.000 1.083 121 S CA -0.636 57.535 58.200 -0.048 0.000 0.995 121 S CB 1.393 64.566 63.200 -0.045 0.000 1.058 121 S HN 0.735 nan 8.310 nan 0.000 0.488 125 R N 1.313 121.764 120.500 -0.081 0.000 2.112 125 R HA 0.310 4.650 4.340 -0.001 0.000 0.216 125 R C 1.113 177.347 176.300 -0.110 0.000 1.080 125 R CA 1.395 57.428 56.100 -0.111 0.000 0.996 125 R CB -0.755 29.454 30.300 -0.152 0.000 0.902 125 R HN 0.564 nan 8.270 nan 0.000 0.449 126 c N 1.071 119.609 118.600 -0.102 0.000 3.104 126 c HA 0.218 4.788 4.570 -0.001 0.000 0.284 126 c C 1.912 175.966 174.090 -0.060 0.000 1.326 126 c CA -0.717 55.554 56.329 -0.097 0.000 1.725 126 c CB -0.626 41.795 42.510 -0.148 0.000 2.156 126 c HN 0.445 nan 8.230 nan 0.000 0.638 127 R N 1.723 122.195 120.500 -0.047 0.000 2.276 127 R HA -0.179 4.161 4.340 -0.001 0.000 0.243 127 R C 0.467 176.759 176.300 -0.014 0.000 1.161 127 R CA 1.112 57.196 56.100 -0.027 0.000 1.007 127 R CB -0.586 29.700 30.300 -0.024 0.000 0.867 127 R HN 0.598 nan 8.270 nan 0.000 0.472 128 Q N 1.313 121.104 119.800 -0.016 0.000 2.614 128 Q HA 0.067 4.407 4.340 -0.001 0.000 0.244 128 Q C -0.080 175.928 176.000 0.013 0.000 1.097 128 Q CA 0.345 56.146 55.803 -0.003 0.000 0.986 128 Q CB 0.209 28.943 28.738 -0.006 0.000 1.308 128 Q HN -0.026 nan 8.270 nan 0.000 0.546 129 T N 1.542 116.107 114.554 0.018 0.000 2.939 129 T HA 0.025 4.374 4.350 -0.001 0.000 0.319 129 T C 0.242 174.972 174.700 0.050 0.000 1.082 129 T CA -0.116 62.002 62.100 0.031 0.000 1.133 129 T CB 0.314 69.196 68.868 0.024 0.000 1.019 129 T HN 0.525 nan 8.240 nan 0.000 0.548 130 S N 1.899 117.643 115.700 0.073 0.000 2.641 130 S HA 0.151 4.621 4.470 -0.001 0.000 0.251 130 S C 0.290 174.945 174.600 0.092 0.000 1.332 130 S CA -0.559 57.714 58.200 0.122 0.000 0.968 130 S CB 0.323 63.606 63.200 0.139 0.000 0.987 130 S HN 0.752 nan 8.310 nan 0.000 0.587 131 E N 0.911 121.175 120.200 0.107 0.000 2.317 131 E HA 0.099 4.448 4.350 -0.001 0.000 0.270 131 E C -1.033 175.629 176.600 0.103 0.000 0.899 131 E CA -0.353 56.044 56.400 -0.004 0.000 0.814 131 E CB 1.262 30.845 29.700 -0.194 0.000 1.296 131 E HN 0.655 nan 8.360 nan 0.000 0.404 132 Q N 2.625 122.505 119.800 0.134 0.000 2.428 132 Q HA 0.074 4.414 4.340 -0.001 0.000 0.276 132 Q C -0.459 175.749 176.000 0.347 0.000 1.059 132 Q CA 0.177 56.108 55.803 0.212 0.000 0.923 132 Q CB 0.689 29.493 28.738 0.111 0.000 1.283 132 Q HN 0.641 nan 8.270 nan 0.000 0.447 133 c N 0.000 118.757 118.600 0.262 0.000 2.653 133 c HA 0.000 4.570 4.570 -0.001 0.000 0.325 133 c CA 0.000 56.421 56.329 0.154 0.000 1.963 133 c CB 0.000 42.428 42.510 -0.136 0.000 2.134 133 c HN 0.000 nan 8.230 nan 0.000 0.568