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 1swd_1_B DATA FIRST_RESID 16 DATA SEQUENCE GITGTWYNQL GSTFIVTAGA DGALTGTYEX XXXNAESRYV LTGRYDSAPA DATA SEQUENCE TDGSGTALGW TVAWKNNYRN AHSATTWSGQ YVGGAEARIN TQWLLTSGTT DATA SEQUENCE EANAWKSTLV GHDTFTKV 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 16 G HA2 0.000 nan 3.960 nan 0.000 0.244 16 G HA3 0.000 3.908 3.960 -0.087 0.000 0.244 16 G C 0.000 174.771 174.900 -0.215 0.000 0.946 16 G CA 0.000 45.065 45.100 -0.058 0.000 0.502 17 I N 2.139 122.413 120.570 -0.493 0.000 2.333 17 I HA 0.085 4.202 4.170 -0.087 0.000 0.246 17 I C 1.217 177.344 176.117 0.016 0.000 1.106 17 I CA 0.930 62.046 61.300 -0.306 0.000 1.411 17 I CB -0.461 37.186 38.000 -0.589 0.000 1.082 17 I HN -0.002 nan 8.210 nan 0.000 0.420 18 T N 2.076 116.548 114.554 -0.138 0.000 2.871 18 T HA 0.384 4.682 4.350 -0.087 0.000 0.296 18 T C 0.333 174.965 174.700 -0.114 0.000 0.998 18 T CA 0.979 63.012 62.100 -0.113 0.000 1.162 18 T CB 0.138 68.939 68.868 -0.113 0.000 0.947 18 T HN 0.717 nan 8.240 nan 0.000 0.536 19 G N 2.895 111.612 108.800 -0.137 0.000 2.320 19 G HA2 0.169 4.077 3.960 -0.087 0.000 0.274 19 G HA3 0.169 4.077 3.960 -0.087 0.000 0.274 19 G C -0.839 173.860 174.900 -0.336 0.000 1.324 19 G CA -0.928 44.027 45.100 -0.242 0.000 0.957 19 G HN 0.633 nan 8.290 nan 0.000 0.481 20 T N 0.951 115.205 114.554 -0.499 0.000 2.749 20 T HA 0.566 4.863 4.350 -0.087 0.000 0.287 20 T C -1.053 173.088 174.700 -0.932 0.000 0.970 20 T CA 0.241 61.956 62.100 -0.642 0.000 0.980 20 T CB 0.593 69.131 68.868 -0.550 0.000 0.924 20 T HN 0.428 nan 8.240 nan 0.000 0.456 21 W N 2.581 123.237 121.300 -1.072 0.000 2.606 21 W HA 0.600 5.208 4.660 -0.087 0.000 0.332 21 W C -0.936 175.146 176.519 -0.729 0.000 1.052 21 W CA -0.883 55.920 57.345 -0.902 0.000 1.223 21 W CB 1.085 29.814 29.460 -1.218 0.000 1.383 21 W HN 0.574 nan 8.180 nan 0.000 0.524 22 Y N 2.880 123.291 120.300 0.186 0.000 2.393 22 Y HA 0.281 4.779 4.550 -0.088 0.000 0.341 22 Y C 0.601 176.741 175.900 0.400 0.000 0.988 22 Y CA -1.246 56.991 58.100 0.228 0.000 1.078 22 Y CB 0.983 39.492 38.460 0.082 0.000 1.203 22 Y HN 0.425 nan 8.280 nan 0.000 0.453 23 N N 0.651 119.657 118.700 0.510 0.000 2.495 23 N HA 0.125 4.812 4.740 -0.087 0.000 0.294 23 N C 0.297 175.898 175.510 0.153 0.000 1.276 23 N CA -0.559 52.583 53.050 0.153 0.000 0.973 23 N CB 0.402 38.780 38.487 -0.182 0.000 1.143 23 N HN 0.679 nan 8.380 nan 0.000 0.589 24 Q N -0.879 118.967 119.800 0.077 0.000 2.432 24 Q HA 0.186 4.473 4.340 -0.087 0.000 0.205 24 Q C 0.937 176.984 176.000 0.079 0.000 0.945 24 Q CA 0.523 56.372 55.803 0.078 0.000 0.924 24 Q CB 0.019 28.796 28.738 0.064 0.000 1.016 24 Q HN 0.490 nan 8.270 nan 0.000 0.503 25 L N 0.360 121.640 121.223 0.095 0.000 2.645 25 L HA 0.121 4.408 4.340 -0.087 0.000 0.235 25 L C 1.175 178.106 176.870 0.102 0.000 1.150 25 L CA 0.655 55.551 54.840 0.093 0.000 0.911 25 L CB -0.594 41.527 42.059 0.103 0.000 1.077 25 L HN 0.466 nan 8.230 nan 0.000 0.438 26 G N -0.076 108.793 108.800 0.115 0.000 2.396 26 G HA2 -0.379 3.528 3.960 -0.087 0.000 0.242 26 G HA3 -0.379 3.528 3.960 -0.087 0.000 0.242 26 G C 0.653 175.651 174.900 0.163 0.000 1.069 26 G CA 0.615 45.785 45.100 0.116 0.000 0.633 26 G HN 0.486 nan 8.290 nan 0.000 0.517 27 S N 0.593 116.391 115.700 0.162 0.000 2.550 27 S HA 0.452 4.870 4.470 -0.087 0.000 0.285 27 S C 0.223 174.890 174.600 0.111 0.000 1.326 27 S CA 1.683 59.962 58.200 0.132 0.000 1.037 27 S CB 0.563 63.881 63.200 0.198 0.000 0.838 27 S HN 1.098 nan 8.310 nan 0.000 0.519 28 T N 4.373 118.864 114.554 -0.106 0.000 3.032 28 T HA 0.566 4.863 4.350 -0.087 0.000 0.312 28 T C -1.025 173.484 174.700 -0.319 0.000 1.078 28 T CA -0.460 61.543 62.100 -0.162 0.000 1.028 28 T CB 0.788 69.594 68.868 -0.102 0.000 1.091 28 T HN 0.656 nan 8.240 nan 0.000 0.457 29 F N 1.426 121.093 119.950 -0.471 0.000 2.576 29 F HA 0.857 5.332 4.527 -0.087 0.000 0.313 29 F C -1.369 174.224 175.800 -0.344 0.000 1.078 29 F CA -1.521 56.218 58.000 -0.436 0.000 0.921 29 F CB 1.074 39.781 39.000 -0.487 0.000 1.232 29 F HN 0.370 nan 8.300 nan 0.000 0.459 30 I N 4.827 125.306 120.570 -0.153 0.000 2.354 30 I HA 0.592 4.710 4.170 -0.087 0.000 0.292 30 I C -0.656 175.426 176.117 -0.059 0.000 0.989 30 I CA -1.142 60.050 61.300 -0.180 0.000 1.188 30 I CB 1.760 39.667 38.000 -0.154 0.000 1.342 30 I HN 0.725 nan 8.210 nan 0.000 0.457 31 V N 1.907 121.775 119.914 -0.077 0.000 2.962 31 V HA 0.666 4.733 4.120 -0.087 0.000 0.313 31 V C -0.353 175.682 176.094 -0.098 0.000 1.099 31 V CA -0.460 61.793 62.300 -0.077 0.000 0.971 31 V CB 1.913 33.670 31.823 -0.111 0.000 1.028 31 V HN 0.681 nan 8.190 nan 0.000 0.430 32 T N 2.881 117.379 114.554 -0.094 0.000 2.786 32 T HA 0.753 5.050 4.350 -0.087 0.000 0.283 32 T C 0.075 174.723 174.700 -0.087 0.000 0.992 32 T CA 0.118 62.166 62.100 -0.086 0.000 0.954 32 T CB 1.288 70.122 68.868 -0.056 0.000 0.934 32 T HN 1.359 nan 8.240 nan 0.000 0.440 33 A N 3.056 125.794 122.820 -0.137 0.000 2.302 33 A HA 0.694 4.961 4.320 -0.087 0.000 0.295 33 A C 0.874 178.495 177.584 0.061 0.000 1.235 33 A CA -0.548 51.410 52.037 -0.132 0.000 0.876 33 A CB 0.012 18.642 19.000 -0.616 0.000 1.133 33 A HN 0.927 nan 8.150 nan 0.000 0.533 34 G N 0.424 109.326 108.800 0.169 0.000 2.504 34 G HA2 0.484 4.392 3.960 -0.087 0.000 0.288 34 G HA3 0.484 4.392 3.960 -0.087 0.000 0.288 34 G C 1.091 176.098 174.900 0.178 0.000 1.182 34 G CA 0.069 45.242 45.100 0.122 0.000 0.894 34 G HN 1.251 nan 8.290 nan 0.000 0.521 35 A N -0.054 122.826 122.820 0.100 0.000 1.948 35 A HA -0.083 4.185 4.320 -0.087 0.000 0.220 35 A C 1.453 179.050 177.584 0.021 0.000 1.177 35 A CA 1.795 53.880 52.037 0.078 0.000 0.636 35 A CB -0.220 18.805 19.000 0.041 0.000 0.815 35 A HN 0.622 nan 8.150 nan 0.000 0.449 36 D N -0.358 120.041 120.400 -0.002 0.000 2.524 36 D HA 0.308 4.896 4.640 -0.087 0.000 0.222 36 D C 1.080 177.318 176.300 -0.103 0.000 1.142 36 D CA 0.335 54.299 54.000 -0.061 0.000 0.973 36 D CB -0.328 40.451 40.800 -0.035 0.000 1.025 36 D HN 0.389 nan 8.370 nan 0.000 0.519 37 G N 3.177 111.793 108.800 -0.306 0.000 2.464 37 G HA2 -0.276 3.631 3.960 -0.087 0.000 0.333 37 G HA3 -0.276 3.631 3.960 -0.087 0.000 0.333 37 G C 0.621 175.471 174.900 -0.083 0.000 0.903 37 G CA 0.729 45.469 45.100 -0.599 0.000 0.795 37 G HN 0.730 nan 8.290 nan 0.000 0.510 38 A N -0.997 121.891 122.820 0.113 0.000 2.354 38 A HA 0.728 4.996 4.320 -0.087 0.000 0.269 38 A C -0.264 177.455 177.584 0.224 0.000 1.109 38 A CA -0.299 51.823 52.037 0.142 0.000 0.800 38 A CB 0.981 20.025 19.000 0.073 0.000 1.045 38 A HN 0.639 nan 8.150 nan 0.000 0.489 39 L N 2.277 123.583 121.223 0.138 0.000 2.349 39 L HA 0.635 4.923 4.340 -0.087 0.000 0.278 39 L C -0.292 176.566 176.870 -0.019 0.000 0.996 39 L CA 0.426 55.291 54.840 0.042 0.000 0.825 39 L CB 1.864 43.950 42.059 0.044 0.000 1.243 39 L HN 0.810 nan 8.230 nan 0.000 0.412 40 T N 1.469 115.990 114.554 -0.055 0.000 2.971 40 T HA 0.931 5.229 4.350 -0.087 0.000 0.304 40 T C -0.136 174.516 174.700 -0.079 0.000 1.038 40 T CA -0.546 61.519 62.100 -0.058 0.000 1.007 40 T CB 1.947 70.800 68.868 -0.026 0.000 1.055 40 T HN 0.846 nan 8.240 nan 0.000 0.451 41 G N 1.145 109.894 108.800 -0.085 0.000 2.428 41 G HA2 0.685 4.592 3.960 -0.087 0.000 0.305 41 G HA3 0.685 4.592 3.960 -0.087 0.000 0.305 41 G C -1.093 173.782 174.900 -0.041 0.000 1.260 41 G CA -0.110 44.949 45.100 -0.068 0.000 0.853 41 G HN 1.121 nan 8.290 nan 0.000 0.480 42 T N -2.630 111.920 114.554 -0.006 0.000 2.900 42 T HA 0.670 4.968 4.350 -0.087 0.000 0.295 42 T C -1.740 173.039 174.700 0.131 0.000 1.044 42 T CA -0.602 61.532 62.100 0.056 0.000 0.995 42 T CB 2.214 71.113 68.868 0.052 0.000 1.072 42 T HN 0.772 nan 8.240 nan 0.000 0.473 43 Y N 1.580 121.925 120.300 0.075 0.000 2.331 43 Y HA 0.540 5.038 4.550 -0.087 0.000 0.338 43 Y C 0.281 176.358 175.900 0.295 0.000 0.976 43 Y CA -0.685 57.517 58.100 0.171 0.000 1.137 43 Y CB 1.424 39.992 38.460 0.180 0.000 1.172 43 Y HN 1.039 nan 8.280 nan 0.000 0.478 50 A N 3.040 125.800 122.820 -0.100 0.000 1.927 50 A HA -0.217 4.051 4.320 -0.087 0.000 0.220 50 A C 1.520 179.038 177.584 -0.109 0.000 1.185 50 A CA 2.051 54.029 52.037 -0.097 0.000 0.639 50 A CB -0.342 18.557 19.000 -0.168 0.000 0.820 50 A HN 0.753 nan 8.150 nan 0.000 0.451 51 E N -0.510 119.539 120.200 -0.252 0.000 2.333 51 E HA -0.030 4.268 4.350 -0.087 0.000 0.198 51 E C 1.678 178.238 176.600 -0.067 0.000 1.007 51 E CA 1.031 57.324 56.400 -0.177 0.000 0.845 51 E CB -0.080 29.482 29.700 -0.229 0.000 0.766 51 E HN 0.447 nan 8.360 nan 0.000 0.507 52 S N -0.533 115.137 115.700 -0.050 0.000 2.559 52 S HA 0.181 4.598 4.470 -0.087 0.000 0.226 52 S C 0.028 174.653 174.600 0.041 0.000 1.000 52 S CA -0.353 57.882 58.200 0.060 0.000 0.948 52 S CB 0.249 63.531 63.200 0.136 0.000 0.870 52 S HN 0.073 nan 8.310 nan 0.000 0.497 53 R N 1.117 121.555 120.500 -0.102 0.000 2.308 53 R HA 0.420 4.708 4.340 -0.087 0.000 0.305 53 R C -1.361 174.843 176.300 -0.159 0.000 1.053 53 R CA 0.046 56.145 56.100 -0.001 0.000 0.957 53 R CB 0.532 30.843 30.300 0.020 0.000 1.022 53 R HN 0.221 nan 8.270 nan 0.000 0.461 54 Y N -0.273 120.162 120.300 0.225 0.000 2.545 54 Y HA 0.249 4.748 4.550 -0.086 0.000 0.348 54 Y C 0.252 176.182 175.900 0.050 0.000 1.002 54 Y CA -1.213 56.968 58.100 0.136 0.000 1.039 54 Y CB 1.226 39.761 38.460 0.125 0.000 1.271 54 Y HN 0.170 nan 8.280 nan 0.000 0.467 55 V N 4.092 124.096 119.914 0.150 0.000 2.585 55 V HA 0.165 4.233 4.120 -0.087 0.000 0.296 55 V C -0.200 175.886 176.094 -0.014 0.000 1.035 55 V CA -0.057 62.271 62.300 0.046 0.000 1.084 55 V CB 0.312 32.144 31.823 0.016 0.000 0.953 55 V HN 0.569 nan 8.190 nan 0.000 0.483 56 L N 3.790 124.987 121.223 -0.043 0.000 2.341 56 L HA 1.002 5.290 4.340 -0.087 0.000 0.267 56 L C -0.442 176.388 176.870 -0.067 0.000 1.009 56 L CA -0.080 54.704 54.840 -0.092 0.000 0.819 56 L CB 2.377 44.301 42.059 -0.225 0.000 1.323 56 L HN 0.513 nan 8.230 nan 0.000 0.425 57 T N 0.994 115.536 114.554 -0.019 0.000 2.982 57 T HA 0.854 5.152 4.350 -0.087 0.000 0.321 57 T C -0.526 174.225 174.700 0.085 0.000 1.229 57 T CA 0.109 62.215 62.100 0.009 0.000 1.044 57 T CB 1.353 70.224 68.868 0.005 0.000 1.184 57 T HN 1.322 nan 8.240 nan 0.000 0.477 58 G N 2.630 111.483 108.800 0.090 0.000 2.650 58 G HA2 0.763 4.671 3.960 -0.087 0.000 0.310 58 G HA3 0.763 4.671 3.960 -0.087 0.000 0.310 58 G C -1.993 172.990 174.900 0.139 0.000 1.270 58 G CA -0.770 44.423 45.100 0.156 0.000 0.810 58 G HN 0.685 nan 8.290 nan 0.000 0.493 59 R N -0.980 119.627 120.500 0.178 0.000 2.643 59 R HA 0.508 4.795 4.340 -0.087 0.000 0.269 59 R C -1.712 174.739 176.300 0.253 0.000 1.037 59 R CA -0.621 55.579 56.100 0.167 0.000 0.894 59 R CB 1.716 32.059 30.300 0.071 0.000 1.238 59 R HN 0.870 nan 8.270 nan 0.000 0.459 60 Y N -1.978 118.350 120.300 0.047 0.000 2.638 60 Y HA 0.501 4.999 4.550 -0.088 0.000 0.339 60 Y C -0.729 175.197 175.900 0.044 0.000 1.084 60 Y CA -1.623 56.510 58.100 0.054 0.000 1.068 60 Y CB 1.003 39.486 38.460 0.039 0.000 1.294 60 Y HN 0.412 nan 8.280 nan 0.000 0.480 61 D N 1.104 121.518 120.400 0.023 0.000 2.352 61 D HA 0.139 4.726 4.640 -0.087 0.000 0.245 61 D C 0.626 176.851 176.300 -0.125 0.000 1.224 61 D CA 0.295 54.254 54.000 -0.069 0.000 0.879 61 D CB 0.875 41.708 40.800 0.055 0.000 1.057 61 D HN 0.685 nan 8.370 nan 0.000 0.491 62 S N 2.298 117.773 115.700 -0.375 0.000 2.607 62 S HA 0.212 4.629 4.470 -0.087 0.000 0.224 62 S C 0.788 175.374 174.600 -0.023 0.000 0.969 62 S CA -0.101 57.937 58.200 -0.269 0.000 0.927 62 S CB 0.222 63.202 63.200 -0.368 0.000 0.772 62 S HN 0.472 nan 8.310 nan 0.000 0.533 63 A N 1.968 124.783 122.820 -0.009 0.000 3.156 63 A HA 0.627 4.895 4.320 -0.087 0.000 0.311 63 A C -2.996 174.615 177.584 0.045 0.000 1.129 63 A CA -1.248 50.806 52.037 0.028 0.000 0.809 63 A CB 0.485 19.489 19.000 0.008 0.000 1.257 63 A HN 0.295 nan 8.150 nan 0.000 0.491 64 P HA 0.461 nan 4.420 nan 0.000 0.274 64 P C 0.606 177.945 177.300 0.066 0.000 1.246 64 P CA -0.086 63.065 63.100 0.086 0.000 0.795 64 P CB 0.703 32.479 31.700 0.127 0.000 1.006 65 A N 0.949 123.803 122.820 0.057 0.000 2.475 65 A HA 0.246 4.514 4.320 -0.087 0.000 0.239 65 A C 1.105 178.720 177.584 0.052 0.000 1.087 65 A CA 0.826 52.891 52.037 0.047 0.000 0.779 65 A CB -0.819 18.206 19.000 0.040 0.000 1.036 65 A HN 0.667 nan 8.150 nan 0.000 0.506 66 T N -2.267 112.313 114.554 0.043 0.000 3.134 66 T HA 0.183 4.481 4.350 -0.087 0.000 0.260 66 T C 0.136 174.859 174.700 0.037 0.000 1.027 66 T CA 0.513 62.639 62.100 0.044 0.000 0.913 66 T CB -0.249 68.643 68.868 0.040 0.000 1.046 66 T HN 0.694 nan 8.240 nan 0.000 0.553 67 D N 1.114 121.535 120.400 0.034 0.000 2.325 67 D HA 0.260 4.847 4.640 -0.087 0.000 0.234 67 D C 1.648 177.965 176.300 0.028 0.000 1.122 67 D CA 0.134 54.151 54.000 0.028 0.000 0.850 67 D CB -0.798 40.018 40.800 0.025 0.000 0.921 67 D HN 0.450 nan 8.370 nan 0.000 0.513 68 G N -0.474 108.346 108.800 0.032 0.000 2.168 68 G HA2 -0.315 3.593 3.960 -0.087 0.000 0.263 68 G HA3 -0.315 3.593 3.960 -0.087 0.000 0.263 68 G C 0.444 175.360 174.900 0.026 0.000 0.977 68 G CA 0.342 45.458 45.100 0.026 0.000 0.659 68 G HN 0.450 nan 8.290 nan 0.000 0.533 69 S N 0.453 116.174 115.700 0.034 0.000 2.573 69 S HA 0.513 4.931 4.470 -0.087 0.000 0.277 69 S C 1.279 175.907 174.600 0.047 0.000 1.346 69 S CA 0.191 58.414 58.200 0.038 0.000 1.034 69 S CB 1.165 64.391 63.200 0.044 0.000 0.879 69 S HN 1.172 nan 8.310 nan 0.000 0.528 70 G N 0.944 109.772 108.800 0.046 0.000 2.535 70 G HA2 0.401 4.309 3.960 -0.087 0.000 0.282 70 G HA3 0.401 4.309 3.960 -0.087 0.000 0.282 70 G C -0.661 174.310 174.900 0.118 0.000 1.350 70 G CA -0.527 44.608 45.100 0.060 0.000 1.039 70 G HN 0.587 nan 8.290 nan 0.000 0.509 71 T N 1.006 115.673 114.554 0.188 0.000 2.781 71 T HA 0.529 4.827 4.350 -0.087 0.000 0.305 71 T C 0.624 175.460 174.700 0.226 0.000 1.001 71 T CA 0.026 62.271 62.100 0.241 0.000 0.950 71 T CB 0.782 69.869 68.868 0.366 0.000 0.955 71 T HN 0.814 nan 8.240 nan 0.000 0.471 72 A N 4.386 127.309 122.820 0.171 0.000 2.567 72 A HA 0.490 4.757 4.320 -0.087 0.000 0.240 72 A C -0.074 177.627 177.584 0.195 0.000 1.053 72 A CA 0.127 52.255 52.037 0.151 0.000 0.755 72 A CB -0.606 18.456 19.000 0.103 0.000 0.978 72 A HN 0.801 nan 8.150 nan 0.000 0.507 73 L N -0.350 120.991 121.223 0.197 0.000 2.838 73 L HA 1.004 5.292 4.340 -0.087 0.000 0.266 73 L C -0.101 176.896 176.870 0.212 0.000 1.040 73 L CA 0.030 55.014 54.840 0.239 0.000 0.906 73 L CB 0.967 43.203 42.059 0.295 0.000 1.501 73 L HN 1.255 nan 8.230 nan 0.000 0.407 74 G N -1.539 107.410 108.800 0.247 0.000 2.623 74 G HA2 0.703 4.611 3.960 -0.087 0.000 0.290 74 G HA3 0.703 4.611 3.960 -0.087 0.000 0.290 74 G C -2.494 172.602 174.900 0.328 0.000 1.437 74 G CA -0.028 45.184 45.100 0.187 0.000 0.798 74 G HN 1.515 nan 8.290 nan 0.000 0.488 75 W N -1.004 120.327 121.300 0.053 0.000 2.959 75 W HA 0.801 5.410 4.660 -0.084 0.000 0.358 75 W C -1.168 175.400 176.519 0.082 0.000 1.228 75 W CA -1.177 56.154 57.345 -0.023 0.000 1.183 75 W CB 0.989 30.319 29.460 -0.218 0.000 1.467 75 W HN 0.627 nan 8.180 nan 0.000 0.578 76 T N 1.658 116.352 114.554 0.234 0.000 2.893 76 T HA 0.601 4.899 4.350 -0.087 0.000 0.293 76 T C -1.581 173.151 174.700 0.054 0.000 1.027 76 T CA -0.622 61.534 62.100 0.094 0.000 0.988 76 T CB 1.863 70.732 68.868 0.001 0.000 1.043 76 T HN 0.444 nan 8.240 nan 0.000 0.461 77 V N 2.414 122.262 119.914 -0.110 0.000 2.443 77 V HA 0.699 4.766 4.120 -0.087 0.000 0.293 77 V C 0.098 175.725 176.094 -0.779 0.000 1.021 77 V CA -0.931 61.053 62.300 -0.526 0.000 0.848 77 V CB 1.382 32.565 31.823 -1.066 0.000 0.998 77 V HN 1.115 nan 8.190 nan 0.000 0.424 78 A N 4.390 126.902 122.820 -0.513 0.000 2.328 78 A HA 0.538 4.805 4.320 -0.087 0.000 0.284 78 A C -0.501 176.766 177.584 -0.529 0.000 1.160 78 A CA -0.357 51.414 52.037 -0.443 0.000 0.818 78 A CB 0.213 19.109 19.000 -0.174 0.000 1.087 78 A HN 0.925 nan 8.150 nan 0.000 0.504 79 W N 2.483 123.678 121.300 -0.175 0.000 1.496 79 W HA 0.422 5.028 4.660 -0.089 0.000 0.422 79 W C 0.630 177.150 176.519 0.001 0.000 0.638 79 W CA -0.106 57.033 57.345 -0.345 0.000 2.105 79 W CB 0.109 29.323 29.460 -0.411 0.000 1.639 79 W HN 0.639 nan 8.180 nan 0.000 0.304 80 K N 2.719 123.312 120.400 0.321 0.000 2.443 80 K HA 0.343 4.610 4.320 -0.087 0.000 0.252 80 K C -0.390 176.395 176.600 0.308 0.000 0.933 80 K CA -0.539 55.909 56.287 0.267 0.000 0.792 80 K CB 0.992 33.538 32.500 0.076 0.000 1.185 80 K HN 0.203 nan 8.250 nan 0.000 0.425 81 N N 1.137 119.923 118.700 0.145 0.000 3.387 81 N HA 0.239 4.926 4.740 -0.087 0.000 0.322 81 N C -0.312 175.100 175.510 -0.164 0.000 1.588 81 N CA -0.836 52.184 53.050 -0.051 0.000 0.778 81 N CB 0.159 38.504 38.487 -0.237 0.000 1.883 81 N HN 0.396 nan 8.380 nan 0.000 0.628 82 N N -1.122 117.342 118.700 -0.394 0.000 2.571 82 N HA 0.024 4.712 4.740 -0.087 0.000 0.189 82 N C -0.131 174.911 175.510 -0.781 0.000 1.154 82 N CA 0.723 53.393 53.050 -0.633 0.000 0.907 82 N CB -0.098 37.890 38.487 -0.833 0.000 0.977 82 N HN 0.486 nan 8.380 nan 0.000 0.449 83 Y N -0.008 120.275 120.300 -0.028 0.000 2.638 83 Y HA 0.302 4.800 4.550 -0.088 0.000 0.275 83 Y C 0.500 176.408 175.900 0.012 0.000 1.122 83 Y CA -0.179 57.913 58.100 -0.014 0.000 1.266 83 Y CB 0.558 38.998 38.460 -0.034 0.000 1.317 83 Y HN -0.159 nan 8.280 nan 0.000 0.501 84 R N 0.029 120.618 120.500 0.148 0.000 2.808 84 R HA 0.505 4.792 4.340 -0.087 0.000 0.272 84 R C -1.547 174.825 176.300 0.119 0.000 0.995 84 R CA -0.908 55.274 56.100 0.138 0.000 0.917 84 R CB 1.233 31.649 30.300 0.193 0.000 1.217 84 R HN -0.185 nan 8.270 nan 0.000 0.471 85 N N 0.373 119.089 118.700 0.026 0.000 2.558 85 N HA 0.309 4.997 4.740 -0.087 0.000 0.285 85 N C -0.886 174.447 175.510 -0.294 0.000 1.112 85 N CA -0.426 52.538 53.050 -0.142 0.000 0.857 85 N CB 2.077 40.392 38.487 -0.286 0.000 1.376 85 N HN 0.768 nan 8.380 nan 0.000 0.526 86 A N 2.190 124.941 122.820 -0.115 0.000 2.251 86 A HA 0.135 4.402 4.320 -0.087 0.000 0.209 86 A C 0.103 177.685 177.584 -0.003 0.000 1.187 86 A CA 0.210 52.222 52.037 -0.042 0.000 0.823 86 A CB -0.528 18.486 19.000 0.023 0.000 0.846 86 A HN 0.814 nan 8.150 nan 0.000 0.486 87 H N 0.140 119.268 119.070 0.098 0.000 2.826 87 H HA -0.147 4.356 4.556 -0.088 0.000 0.306 87 H C 0.060 175.424 175.328 0.060 0.000 1.235 87 H CA 0.845 56.930 56.048 0.062 0.000 1.150 87 H CB -2.201 27.583 29.762 0.037 0.000 1.409 87 H HN 0.823 nan 8.280 nan 0.000 0.420 88 S N -1.767 114.021 115.700 0.148 0.000 2.596 88 S HA 0.909 5.326 4.470 -0.087 0.000 0.270 88 S C -0.666 174.012 174.600 0.130 0.000 1.155 88 S CA -0.477 57.817 58.200 0.156 0.000 0.827 88 S CB 3.134 66.443 63.200 0.182 0.000 1.130 88 S HN 0.859 nan 8.310 nan 0.000 0.467 89 A N 0.736 123.591 122.820 0.059 0.000 2.422 89 A HA 0.831 5.098 4.320 -0.087 0.000 0.302 89 A C -0.521 177.013 177.584 -0.084 0.000 1.041 89 A CA -0.680 51.281 52.037 -0.126 0.000 0.708 89 A CB 1.741 20.674 19.000 -0.112 0.000 1.257 89 A HN 0.781 nan 8.150 nan 0.000 0.414 90 T N 2.022 116.439 114.554 -0.229 0.000 2.823 90 T HA 0.701 4.998 4.350 -0.087 0.000 0.279 90 T C -0.003 174.454 174.700 -0.406 0.000 0.998 90 T CA -0.031 61.853 62.100 -0.360 0.000 0.994 90 T CB 1.249 69.703 68.868 -0.690 0.000 0.960 90 T HN 0.993 nan 8.240 nan 0.000 0.448 91 T N 0.458 114.778 114.554 -0.390 0.000 2.841 91 T HA 0.613 4.911 4.350 -0.087 0.000 0.283 91 T C -0.986 173.485 174.700 -0.382 0.000 1.000 91 T CA -0.880 61.062 62.100 -0.263 0.000 0.977 91 T CB 1.135 69.922 68.868 -0.134 0.000 0.979 91 T HN 0.543 nan 8.240 nan 0.000 0.446 92 W N 1.859 122.800 121.300 -0.599 0.000 2.475 92 W HA 0.555 5.166 4.660 -0.081 0.000 0.317 92 W C 0.030 176.277 176.519 -0.453 0.000 1.046 92 W CA -0.873 56.096 57.345 -0.627 0.000 1.215 92 W CB 2.158 30.716 29.460 -1.503 0.000 1.335 92 W HN 0.685 nan 8.180 nan 0.000 0.471 93 S N 2.255 117.938 115.700 -0.027 0.000 2.498 93 S HA 0.843 5.261 4.470 -0.087 0.000 0.317 93 S C -0.039 174.604 174.600 0.072 0.000 1.090 93 S CA -0.073 58.135 58.200 0.012 0.000 1.089 93 S CB 1.029 64.228 63.200 -0.001 0.000 0.997 93 S HN 0.728 nan 8.310 nan 0.000 0.470 94 G N 3.005 111.872 108.800 0.111 0.000 2.578 94 G HA2 0.574 4.482 3.960 -0.087 0.000 0.302 94 G HA3 0.574 4.482 3.960 -0.087 0.000 0.302 94 G C -2.135 172.862 174.900 0.162 0.000 1.243 94 G CA -0.759 44.428 45.100 0.146 0.000 0.843 94 G HN 0.775 nan 8.290 nan 0.000 0.486 95 Q N -1.211 118.693 119.800 0.173 0.000 2.377 95 Q HA 0.581 4.869 4.340 -0.087 0.000 0.279 95 Q C -1.886 174.228 176.000 0.190 0.000 1.049 95 Q CA -1.040 54.868 55.803 0.175 0.000 0.825 95 Q CB 2.737 31.551 28.738 0.126 0.000 1.401 95 Q HN 0.663 nan 8.270 nan 0.000 0.404 96 Y N 1.285 121.628 120.300 0.072 0.000 2.304 96 Y HA 0.510 5.007 4.550 -0.088 0.000 0.328 96 Y C -1.223 174.724 175.900 0.079 0.000 1.123 96 Y CA -0.515 57.604 58.100 0.032 0.000 1.218 96 Y CB 1.284 39.744 38.460 0.001 0.000 1.207 96 Y HN 0.471 nan 8.280 nan 0.000 0.495 97 V N 7.678 127.231 119.914 -0.600 0.000 2.340 97 V HA 0.450 4.518 4.120 -0.087 0.000 0.277 97 V C 0.648 176.330 176.094 -0.686 0.000 1.017 97 V CA -0.408 61.593 62.300 -0.499 0.000 0.820 97 V CB 0.521 32.248 31.823 -0.160 0.000 1.028 97 V HN 1.095 nan 8.190 nan 0.000 0.436 98 G N 2.453 110.767 108.800 -0.811 0.000 2.486 98 G HA2 0.678 4.585 3.960 -0.087 0.000 0.272 98 G HA3 0.678 4.585 3.960 -0.087 0.000 0.272 98 G C 0.505 175.367 174.900 -0.063 0.000 1.426 98 G CA 0.476 45.364 45.100 -0.354 0.000 1.058 98 G HN 1.589 nan 8.290 nan 0.000 0.531 99 G N -2.050 106.779 108.800 0.049 0.000 2.472 99 G HA2 0.320 4.228 3.960 -0.087 0.000 0.205 99 G HA3 0.320 4.228 3.960 -0.087 0.000 0.205 99 G C 1.082 176.012 174.900 0.051 0.000 1.270 99 G CA 0.915 46.042 45.100 0.045 0.000 0.974 99 G HN 1.708 nan 8.290 nan 0.000 0.542 100 A N 0.072 122.912 122.820 0.034 0.000 1.834 100 A HA 0.236 4.503 4.320 -0.087 0.000 0.216 100 A C 1.571 179.173 177.584 0.031 0.000 1.203 100 A CA 2.482 54.535 52.037 0.026 0.000 0.621 100 A CB -0.660 18.350 19.000 0.018 0.000 0.841 100 A HN 1.660 nan 8.150 nan 0.000 0.446 101 E N 0.458 120.680 120.200 0.036 0.000 1.802 101 E HA 0.476 4.773 4.350 -0.087 0.000 0.265 101 E C -0.194 176.457 176.600 0.086 0.000 1.168 101 E CA -0.031 56.401 56.400 0.054 0.000 1.033 101 E CB -0.184 29.545 29.700 0.049 0.000 1.095 101 E HN 0.515 nan 8.360 nan 0.000 0.436 102 A N 4.427 127.325 122.820 0.129 0.000 2.340 102 A HA 0.644 4.912 4.320 -0.087 0.000 0.268 102 A C -0.303 177.537 177.584 0.426 0.000 1.100 102 A CA -0.491 51.682 52.037 0.227 0.000 0.803 102 A CB 0.630 19.872 19.000 0.404 0.000 1.043 102 A HN 0.676 nan 8.150 nan 0.000 0.488 103 R N 0.300 120.999 120.500 0.331 0.000 2.725 103 R HA 0.585 4.873 4.340 -0.087 0.000 0.277 103 R C -1.419 174.975 176.300 0.157 0.000 0.987 103 R CA -0.367 55.953 56.100 0.367 0.000 0.901 103 R CB 1.989 32.418 30.300 0.214 0.000 1.207 103 R HN 0.633 nan 8.270 nan 0.000 0.463 104 I N 2.239 122.868 120.570 0.100 0.000 2.328 104 I HA 0.286 4.403 4.170 -0.087 0.000 0.287 104 I C -0.469 175.836 176.117 0.313 0.000 1.012 104 I CA -0.616 60.752 61.300 0.112 0.000 1.195 104 I CB 1.137 39.102 38.000 -0.058 0.000 1.350 104 I HN 0.365 nan 8.210 nan 0.000 0.464 105 N N 5.550 124.394 118.700 0.240 0.000 2.426 105 N HA 0.359 5.046 4.740 -0.087 0.000 0.257 105 N C -0.242 175.430 175.510 0.269 0.000 1.002 105 N CA -0.109 53.083 53.050 0.237 0.000 0.942 105 N CB 1.930 40.506 38.487 0.148 0.000 1.112 105 N HN 0.635 nan 8.380 nan 0.000 0.499 106 T N -0.791 113.971 114.554 0.348 0.000 2.907 106 T HA 0.494 4.791 4.350 -0.087 0.000 0.290 106 T C -0.464 174.396 174.700 0.266 0.000 1.066 106 T CA -0.868 61.435 62.100 0.337 0.000 1.012 106 T CB 2.184 71.368 68.868 0.527 0.000 1.184 106 T HN 0.255 nan 8.240 nan 0.000 0.522 107 Q N 0.710 120.602 119.800 0.153 0.000 2.377 107 Q HA 0.500 4.788 4.340 -0.087 0.000 0.271 107 Q C -1.197 174.772 176.000 -0.051 0.000 1.077 107 Q CA -0.925 54.877 55.803 -0.001 0.000 0.820 107 Q CB 2.572 31.272 28.738 -0.063 0.000 1.347 107 Q HN 0.851 nan 8.270 nan 0.000 0.444 108 W N 1.951 123.116 121.300 -0.225 0.000 2.950 108 W HA 0.685 5.293 4.660 -0.087 0.000 0.340 108 W C -2.004 174.312 176.519 -0.338 0.000 1.139 108 W CA -1.035 56.032 57.345 -0.464 0.000 1.188 108 W CB 0.675 29.547 29.460 -0.980 0.000 1.426 108 W HN 0.423 nan 8.180 nan 0.000 0.531 109 L N 4.156 125.360 121.223 -0.031 0.000 2.325 109 L HA 0.372 4.659 4.340 -0.087 0.000 0.281 109 L C -0.644 176.276 176.870 0.084 0.000 1.004 109 L CA -1.036 53.796 54.840 -0.013 0.000 0.823 109 L CB 1.617 43.631 42.059 -0.076 0.000 1.236 109 L HN 0.236 nan 8.230 nan 0.000 0.415 110 L N 3.507 124.855 121.223 0.209 0.000 2.280 110 L HA 0.560 4.847 4.340 -0.087 0.000 0.287 110 L C -0.392 176.507 176.870 0.049 0.000 1.023 110 L CA 0.280 55.188 54.840 0.112 0.000 0.819 110 L CB 1.300 43.450 42.059 0.151 0.000 1.212 110 L HN 0.480 nan 8.230 nan 0.000 0.420 111 T N 3.489 118.052 114.554 0.016 0.000 2.792 111 T HA 0.512 4.809 4.350 -0.087 0.000 0.280 111 T C -0.196 174.514 174.700 0.017 0.000 0.990 111 T CA -0.419 61.682 62.100 0.001 0.000 0.960 111 T CB 1.107 69.967 68.868 -0.014 0.000 0.939 111 T HN 0.626 nan 8.240 nan 0.000 0.439 112 S N 1.869 117.573 115.700 0.006 0.000 2.508 112 S HA 0.582 5.000 4.470 -0.087 0.000 0.284 112 S C 0.911 175.517 174.600 0.010 0.000 1.192 112 S CA -0.900 57.315 58.200 0.024 0.000 1.070 112 S CB 1.245 64.450 63.200 0.008 0.000 1.004 112 S HN 0.923 nan 8.310 nan 0.000 0.493 113 G N 2.436 111.258 108.800 0.037 0.000 2.272 113 G HA2 0.383 4.291 3.960 -0.087 0.000 0.247 113 G HA3 0.383 4.291 3.960 -0.087 0.000 0.247 113 G C 0.243 175.131 174.900 -0.019 0.000 1.272 113 G CA -0.103 45.004 45.100 0.011 0.000 0.921 113 G HN 0.714 nan 8.290 nan 0.000 0.495 114 T N -0.870 113.664 114.554 -0.033 0.000 2.907 114 T HA 0.739 5.036 4.350 -0.087 0.000 0.290 114 T C 0.536 175.215 174.700 -0.034 0.000 1.066 114 T CA -0.183 61.888 62.100 -0.049 0.000 1.012 114 T CB 1.512 70.333 68.868 -0.079 0.000 1.184 114 T HN 0.773 nan 8.240 nan 0.000 0.522 115 T N -0.378 114.157 114.554 -0.031 0.000 2.813 115 T HA 0.291 4.588 4.350 -0.087 0.000 0.297 115 T C 1.037 175.739 174.700 0.002 0.000 1.036 115 T CA -0.365 61.728 62.100 -0.012 0.000 1.044 115 T CB 0.414 69.280 68.868 -0.004 0.000 0.993 115 T HN 0.701 nan 8.240 nan 0.000 0.535 116 E N 1.194 121.404 120.200 0.017 0.000 2.058 116 E HA -0.070 4.228 4.350 -0.087 0.000 0.194 116 E C 2.460 179.106 176.600 0.075 0.000 0.997 116 E CA 1.451 57.874 56.400 0.038 0.000 0.801 116 E CB -0.897 28.824 29.700 0.036 0.000 0.746 116 E HN 0.791 nan 8.360 nan 0.000 0.450 117 A N 1.048 123.916 122.820 0.079 0.000 1.997 117 A HA -0.236 4.031 4.320 -0.087 0.000 0.221 117 A C 1.548 179.262 177.584 0.216 0.000 1.172 117 A CA 1.927 54.042 52.037 0.131 0.000 0.645 117 A CB -0.337 18.721 19.000 0.096 0.000 0.813 117 A HN 0.139 nan 8.150 nan 0.000 0.454 118 N N -1.558 117.190 118.700 0.081 0.000 2.184 118 N HA 0.312 4.999 4.740 -0.087 0.000 0.206 118 N C 1.312 176.641 175.510 -0.301 0.000 1.151 118 N CA 0.703 53.690 53.050 -0.104 0.000 0.878 118 N CB 0.112 38.527 38.487 -0.120 0.000 1.014 118 N HN 0.376 nan 8.380 nan 0.000 0.512 119 A N 1.106 123.883 122.820 -0.072 0.000 2.024 119 A HA -0.136 4.132 4.320 -0.087 0.000 0.220 119 A C 1.811 179.347 177.584 -0.079 0.000 1.164 119 A CA 1.032 53.030 52.037 -0.064 0.000 0.643 119 A CB -0.915 18.100 19.000 0.024 0.000 0.806 119 A HN 0.620 nan 8.150 nan 0.000 0.451 120 W N 1.016 122.312 121.300 -0.006 0.000 2.421 120 W HA -0.091 4.565 4.660 -0.008 0.000 0.270 120 W C 0.960 177.474 176.519 -0.008 0.000 1.233 120 W CA 1.168 58.508 57.345 -0.009 0.000 1.226 120 W CB -0.551 28.903 29.460 -0.009 0.000 1.121 120 W HN 0.517 nan 8.180 nan 0.000 0.579 121 K N 1.414 121.156 120.400 -1.096 0.000 2.576 121 K HA 0.246 4.513 4.320 -0.087 0.000 0.209 121 K C 1.153 177.476 176.600 -0.462 0.000 1.049 121 K CA 0.566 56.289 56.287 -0.941 0.000 1.140 121 K CB -0.101 31.501 32.500 -1.497 0.000 0.871 121 K HN -0.052 nan 8.250 nan 0.000 0.479 122 S N -0.868 114.657 115.700 -0.292 0.000 2.501 122 S HA 0.022 4.440 4.470 -0.087 0.000 0.220 122 S C 0.379 174.919 174.600 -0.099 0.000 0.997 122 S CA -0.095 58.005 58.200 -0.166 0.000 0.919 122 S CB -0.014 63.120 63.200 -0.109 0.000 0.778 122 S HN 0.204 nan 8.310 nan 0.000 0.523 123 T N 2.266 116.766 114.554 -0.089 0.000 2.906 123 T HA 0.549 4.847 4.350 -0.087 0.000 0.302 123 T C -0.739 173.933 174.700 -0.047 0.000 1.002 123 T CA -0.504 61.567 62.100 -0.048 0.000 0.988 123 T CB 1.334 70.177 68.868 -0.041 0.000 0.972 123 T HN 0.163 nan 8.240 nan 0.000 0.447 124 L N 2.957 124.176 121.223 -0.007 0.000 2.379 124 L HA 0.796 5.083 4.340 -0.087 0.000 0.269 124 L C -0.032 176.753 176.870 -0.140 0.000 1.084 124 L CA -0.745 54.085 54.840 -0.017 0.000 0.802 124 L CB 1.505 43.633 42.059 0.115 0.000 1.175 124 L HN 0.338 nan 8.230 nan 0.000 0.448 125 V N 1.362 121.065 119.914 -0.351 0.000 2.914 125 V HA 1.002 5.070 4.120 -0.087 0.000 0.314 125 V C -0.173 175.261 176.094 -1.099 0.000 1.084 125 V CA 0.265 62.142 62.300 -0.705 0.000 0.963 125 V CB 1.838 33.418 31.823 -0.405 0.000 1.025 125 V HN 0.856 nan 8.190 nan 0.000 0.432 126 G N 3.333 111.084 108.800 -1.748 0.000 2.494 126 G HA2 0.642 4.550 3.960 -0.087 0.000 0.308 126 G HA3 0.642 4.550 3.960 -0.087 0.000 0.308 126 G C -1.570 172.654 174.900 -1.128 0.000 1.263 126 G CA -0.028 44.283 45.100 -1.315 0.000 0.840 126 G HN 1.605 nan 8.290 nan 0.000 0.479 127 H N -1.509 117.326 119.070 -0.391 0.000 3.012 127 H HA 0.840 5.342 4.556 -0.089 0.000 0.367 127 H C -1.902 173.627 175.328 0.335 0.000 1.211 127 H CA -0.887 55.145 56.048 -0.025 0.000 1.139 127 H CB 2.810 32.552 29.762 -0.033 0.000 1.838 127 H HN 0.496 nan 8.280 nan 0.000 0.550 128 D N 0.161 120.835 120.400 0.457 0.000 2.661 128 D HA 0.437 5.024 4.640 -0.087 0.000 0.228 128 D C -1.072 175.342 176.300 0.190 0.000 1.210 128 D CA -0.443 53.715 54.000 0.263 0.000 0.826 128 D CB 2.867 43.786 40.800 0.198 0.000 1.542 128 D HN 0.686 nan 8.370 nan 0.000 0.447 129 T N 2.041 116.592 114.554 -0.006 0.000 2.890 129 T HA 0.481 4.778 4.350 -0.087 0.000 0.295 129 T C -0.692 173.990 174.700 -0.030 0.000 0.993 129 T CA -0.402 61.748 62.100 0.082 0.000 0.979 129 T CB 0.132 69.085 68.868 0.141 0.000 0.967 129 T HN 0.090 nan 8.240 nan 0.000 0.441 130 F N 2.423 122.591 119.950 0.364 0.000 2.443 130 F HA 0.642 5.117 4.527 -0.088 0.000 0.335 130 F C 1.190 177.340 175.800 0.584 0.000 1.104 130 F CA -0.727 57.536 58.000 0.439 0.000 1.013 130 F CB 1.786 41.052 39.000 0.444 0.000 1.136 130 F HN 0.497 nan 8.300 nan 0.000 0.470 131 T N -1.614 113.371 114.554 0.718 0.000 2.916 131 T HA 0.398 4.696 4.350 -0.087 0.000 0.292 131 T C 0.422 175.283 174.700 0.268 0.000 1.064 131 T CA -1.064 61.375 62.100 0.565 0.000 1.011 131 T CB 1.982 71.032 68.868 0.304 0.000 1.152 131 T HN 0.568 nan 8.240 nan 0.000 0.510 132 K N 0.130 120.426 120.400 -0.174 0.000 2.486 132 K HA 0.232 4.500 4.320 -0.087 0.000 0.194 132 K C 0.456 177.062 176.600 0.010 0.000 1.033 132 K CA 0.351 56.410 56.287 -0.380 0.000 1.004 132 K CB -0.152 32.022 32.500 -0.545 0.000 0.798 132 K HN 0.526 nan 8.250 nan 0.000 0.495 133 V N 0.000 119.949 119.914 0.058 0.000 2.409 133 V HA 0.000 4.068 4.120 -0.087 0.000 0.244 133 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 133 V CB 0.000 31.794 31.823 -0.048 0.000 1.184 133 V HN 0.000 nan 8.190 nan 0.000 0.556