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 1wk4_1_C DATA FIRST_RESID 1 DATA SEQUENCE VRIRRAGLED LPGVARVLVD TWRATYRGVV PEAFLEGLSY EGQAERWAQR DATA SEQUENCE LKTPTWPGRL FVAESESGEV VGFAAFGPDR ASGFPGYTAE LWAIYVLPTW DATA SEQUENCE QRKGLGRALF HEGARLLQAE GYGRXLVWVL KENPKGRGFY EHLGGVLLGE DATA SEQUENCE REIELGGAKL WEVAYGFDLG GHKW 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.117 176.094 0.038 0.000 1.182 1 V CA 0.000 62.335 62.300 0.058 0.000 1.235 1 V CB 0.000 31.867 31.823 0.073 0.000 1.184 2 R N 2.048 122.554 120.500 0.010 0.000 2.621 2 R HA 0.832 5.171 4.340 -0.001 0.000 0.284 2 R C -1.941 174.378 176.300 0.033 0.000 0.998 2 R CA -0.816 55.300 56.100 0.026 0.000 0.895 2 R CB 2.323 32.635 30.300 0.020 0.000 1.195 2 R HN 0.619 nan 8.270 nan 0.000 0.450 3 I N 4.088 124.699 120.570 0.068 0.000 2.307 3 I HA 0.282 4.451 4.170 -0.001 0.000 0.287 3 I C 0.670 176.861 176.117 0.124 0.000 1.054 3 I CA -0.292 61.078 61.300 0.116 0.000 1.218 3 I CB 0.705 38.798 38.000 0.154 0.000 1.398 3 I HN 0.666 nan 8.210 nan 0.000 0.475 4 R N 4.083 124.630 120.500 0.078 0.000 3.173 4 R HA 0.798 5.137 4.340 -0.001 0.000 0.225 4 R C -0.282 175.966 176.300 -0.085 0.000 1.587 4 R CA -1.144 54.961 56.100 0.008 0.000 1.033 4 R CB 0.607 30.895 30.300 -0.020 0.000 1.804 4 R HN 0.110 nan 8.270 nan 0.000 0.526 5 R N -0.208 120.187 120.500 -0.174 0.000 2.532 5 R HA 0.457 4.797 4.340 -0.001 0.000 0.272 5 R C -1.020 175.174 176.300 -0.178 0.000 1.032 5 R CA -0.187 55.735 56.100 -0.297 0.000 1.089 5 R CB 1.488 31.623 30.300 -0.276 0.000 1.098 5 R HN 0.763 nan 8.270 nan 0.000 0.526 6 A N 1.749 124.458 122.820 -0.184 0.000 2.302 6 A HA 0.534 4.853 4.320 -0.001 0.000 0.295 6 A C 0.291 177.808 177.584 -0.111 0.000 1.235 6 A CA -0.055 51.903 52.037 -0.131 0.000 0.876 6 A CB 0.224 19.136 19.000 -0.146 0.000 1.133 6 A HN 0.725 nan 8.150 nan 0.000 0.533 7 G N 0.688 109.433 108.800 -0.093 0.000 2.507 7 G HA2 0.404 4.363 3.960 -0.001 0.000 0.271 7 G HA3 0.404 4.363 3.960 -0.001 0.000 0.271 7 G C 0.791 175.650 174.900 -0.068 0.000 1.189 7 G CA -0.545 44.511 45.100 -0.072 0.000 0.859 7 G HN 0.858 nan 8.290 nan 0.000 0.542 8 L N -0.016 121.177 121.223 -0.049 0.000 2.141 8 L HA 0.015 4.355 4.340 -0.001 0.000 0.209 8 L C 2.505 179.349 176.870 -0.042 0.000 1.094 8 L CA 1.339 56.155 54.840 -0.040 0.000 0.763 8 L CB -0.175 41.869 42.059 -0.025 0.000 0.908 8 L HN 0.818 nan 8.230 nan 0.000 0.437 9 E N -1.607 118.568 120.200 -0.042 0.000 2.382 9 E HA -0.094 4.255 4.350 -0.001 0.000 0.190 9 E C 0.162 176.732 176.600 -0.050 0.000 1.125 9 E CA 0.100 56.476 56.400 -0.039 0.000 0.929 9 E CB 0.021 29.701 29.700 -0.033 0.000 1.053 9 E HN 0.447 nan 8.360 nan 0.000 0.475 10 D N 0.405 120.765 120.400 -0.067 0.000 2.454 10 D HA 0.117 4.756 4.640 -0.001 0.000 0.219 10 D C 1.905 178.134 176.300 -0.117 0.000 1.081 10 D CA -0.048 53.899 54.000 -0.089 0.000 0.867 10 D CB 0.226 40.964 40.800 -0.104 0.000 1.054 10 D HN 0.169 nan 8.370 nan 0.000 0.500 11 L N 1.354 122.512 121.223 -0.109 0.000 2.064 11 L HA -0.191 4.148 4.340 -0.001 0.000 0.216 11 L C -0.560 176.252 176.870 -0.096 0.000 1.077 11 L CA 1.686 56.456 54.840 -0.118 0.000 0.766 11 L CB -1.805 40.230 42.059 -0.041 0.000 0.890 11 L HN 0.074 nan 8.230 nan 0.000 0.435 12 P HA -0.153 nan 4.420 nan 0.000 0.210 12 P C 1.583 178.875 177.300 -0.012 0.000 1.189 12 P CA 1.816 64.907 63.100 -0.015 0.000 0.920 12 P CB -0.284 31.408 31.700 -0.013 0.000 0.782 13 G N -0.823 107.960 108.800 -0.029 0.000 2.516 13 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.221 13 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.221 13 G C 1.444 176.321 174.900 -0.038 0.000 1.107 13 G CA 0.737 45.825 45.100 -0.019 0.000 0.747 13 G HN 0.195 nan 8.290 nan 0.000 0.567 14 V N 0.642 120.481 119.914 -0.125 0.000 2.492 14 V HA 0.119 4.238 4.120 -0.001 0.000 0.241 14 V C 3.120 179.103 176.094 -0.185 0.000 1.041 14 V CA 1.373 63.522 62.300 -0.253 0.000 1.057 14 V CB -0.428 31.013 31.823 -0.638 0.000 0.711 14 V HN 0.390 nan 8.190 nan 0.000 0.468 15 A N 1.358 124.095 122.820 -0.139 0.000 2.139 15 A HA -0.239 4.080 4.320 -0.001 0.000 0.221 15 A C 2.164 179.741 177.584 -0.011 0.000 1.159 15 A CA 2.274 54.282 52.037 -0.048 0.000 0.662 15 A CB -0.379 18.634 19.000 0.021 0.000 0.796 15 A HN 0.747 nan 8.150 nan 0.000 0.463 16 R N -2.390 118.140 120.500 0.050 0.000 2.279 16 R HA 0.291 4.630 4.340 -0.001 0.000 0.195 16 R C 1.164 177.511 176.300 0.079 0.000 0.905 16 R CA 0.834 56.991 56.100 0.095 0.000 1.044 16 R CB -0.659 29.832 30.300 0.319 0.000 1.056 16 R HN 0.036 nan 8.270 nan 0.000 0.535 17 V N 1.314 121.282 119.914 0.091 0.000 2.626 17 V HA -0.109 4.010 4.120 -0.001 0.000 0.252 17 V C 2.038 178.221 176.094 0.148 0.000 1.067 17 V CA 1.720 64.103 62.300 0.139 0.000 1.081 17 V CB -0.228 31.715 31.823 0.199 0.000 0.686 17 V HN 0.406 nan 8.190 nan 0.000 0.468 18 L N -0.984 120.286 121.223 0.078 0.000 2.062 18 L HA -0.025 4.314 4.340 -0.001 0.000 0.202 18 L C 2.396 179.298 176.870 0.053 0.000 1.079 18 L CA 1.280 56.086 54.840 -0.057 0.000 0.755 18 L CB -0.208 41.726 42.059 -0.208 0.000 0.913 18 L HN 0.059 nan 8.230 nan 0.000 0.445 19 V N 0.900 120.773 119.914 -0.067 0.000 2.220 19 V HA -0.408 3.711 4.120 -0.001 0.000 0.250 19 V C 2.239 178.338 176.094 0.009 0.000 1.056 19 V CA 2.421 64.647 62.300 -0.124 0.000 1.016 19 V CB -0.851 30.699 31.823 -0.455 0.000 0.639 19 V HN 0.555 nan 8.190 nan 0.000 0.446 20 D N -0.189 120.193 120.400 -0.030 0.000 2.137 20 D HA -0.186 4.453 4.640 -0.001 0.000 0.189 20 D C 2.273 178.668 176.300 0.157 0.000 0.998 20 D CA 2.170 56.212 54.000 0.070 0.000 0.839 20 D CB -0.752 40.113 40.800 0.107 0.000 0.962 20 D HN 0.400 nan 8.370 nan 0.000 0.446 21 T N -0.622 114.051 114.554 0.197 0.000 2.760 21 T HA -0.212 4.137 4.350 -0.001 0.000 0.269 21 T C 1.550 176.438 174.700 0.312 0.000 1.047 21 T CA 1.146 63.390 62.100 0.240 0.000 1.139 21 T CB -0.405 68.654 68.868 0.318 0.000 0.855 21 T HN 0.278 nan 8.240 nan 0.000 0.471 22 W N 1.556 122.999 121.300 0.238 0.000 2.418 22 W HA 0.064 4.723 4.660 -0.002 0.000 0.292 22 W C 2.550 179.244 176.519 0.293 0.000 1.213 22 W CA 0.630 58.187 57.345 0.354 0.000 1.283 22 W CB -0.103 29.498 29.460 0.235 0.000 1.119 22 W HN 0.117 nan 8.180 nan 0.000 0.542 23 R N -0.540 120.179 120.500 0.365 0.000 2.062 23 R HA -0.051 4.288 4.340 -0.001 0.000 0.229 23 R C 2.244 178.626 176.300 0.138 0.000 1.128 23 R CA 1.465 57.706 56.100 0.236 0.000 0.960 23 R CB -1.005 29.390 30.300 0.159 0.000 0.855 23 R HN 0.055 nan 8.270 nan 0.000 0.432 24 A N -0.050 122.833 122.820 0.104 0.000 2.225 24 A HA -0.089 4.230 4.320 -0.001 0.000 0.215 24 A C 1.529 179.090 177.584 -0.037 0.000 1.164 24 A CA 1.498 53.559 52.037 0.040 0.000 0.710 24 A CB -0.246 18.783 19.000 0.048 0.000 0.780 24 A HN 0.281 nan 8.150 nan 0.000 0.473 25 T N -2.342 112.160 114.554 -0.086 0.000 3.205 25 T HA 0.128 4.477 4.350 -0.001 0.000 0.238 25 T C 0.703 175.152 174.700 -0.420 0.000 0.974 25 T CA 0.520 62.414 62.100 -0.343 0.000 1.246 25 T CB -0.177 68.322 68.868 -0.615 0.000 1.007 25 T HN 0.405 nan 8.240 nan 0.000 0.414 26 Y N 2.140 122.324 120.300 -0.192 0.000 2.547 26 Y HA 0.386 4.935 4.550 -0.002 0.000 0.325 26 Y C 0.886 176.773 175.900 -0.021 0.000 1.165 26 Y CA -0.562 57.435 58.100 -0.171 0.000 1.300 26 Y CB -0.455 37.766 38.460 -0.399 0.000 1.126 26 Y HN -0.042 nan 8.280 nan 0.000 0.513 27 R N 0.252 120.810 120.500 0.097 0.000 2.390 27 R HA 0.418 4.757 4.340 -0.001 0.000 0.291 27 R C 1.231 177.574 176.300 0.072 0.000 1.070 27 R CA 0.971 57.135 56.100 0.107 0.000 1.014 27 R CB 0.307 30.655 30.300 0.081 0.000 1.007 27 R HN 0.558 nan 8.270 nan 0.000 0.466 28 G N 1.866 110.716 108.800 0.084 0.000 2.268 28 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.240 28 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.240 28 G C 0.502 175.443 174.900 0.068 0.000 1.010 28 G CA 0.333 45.470 45.100 0.061 0.000 0.618 28 G HN 0.467 nan 8.290 nan 0.000 0.516 29 V N 0.353 120.321 119.914 0.089 0.000 2.374 29 V HA 0.251 4.370 4.120 -0.001 0.000 0.241 29 V C 1.548 177.708 176.094 0.110 0.000 1.034 29 V CA 1.547 63.908 62.300 0.102 0.000 1.037 29 V CB 0.152 32.067 31.823 0.152 0.000 0.682 29 V HN 0.361 nan 8.190 nan 0.000 0.463 30 V N 0.701 120.708 119.914 0.155 0.000 2.547 30 V HA 0.406 4.525 4.120 -0.001 0.000 0.299 30 V C -2.456 173.746 176.094 0.180 0.000 1.040 30 V CA -2.174 60.224 62.300 0.163 0.000 0.913 30 V CB 0.997 32.999 31.823 0.298 0.000 0.992 30 V HN 0.259 nan 8.190 nan 0.000 0.449 31 P HA -0.028 nan 4.420 nan 0.000 0.264 31 P C 0.624 178.044 177.300 0.199 0.000 1.179 31 P CA 0.315 63.501 63.100 0.142 0.000 0.763 31 P CB 0.686 32.457 31.700 0.118 0.000 0.806 32 E N 3.498 123.786 120.200 0.147 0.000 2.106 32 E HA -0.175 4.174 4.350 -0.001 0.000 0.192 32 E C 1.917 178.598 176.600 0.135 0.000 0.984 32 E CA 1.797 58.281 56.400 0.139 0.000 0.806 32 E CB -0.780 28.978 29.700 0.097 0.000 0.750 32 E HN 0.450 nan 8.360 nan 0.000 0.458 33 A N -0.005 122.891 122.820 0.126 0.000 1.940 33 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 33 A C 2.170 179.827 177.584 0.123 0.000 1.176 33 A CA 1.542 53.642 52.037 0.105 0.000 0.631 33 A CB -0.992 18.066 19.000 0.096 0.000 0.814 33 A HN 0.487 nan 8.150 nan 0.000 0.446 34 F N 0.377 120.353 119.950 0.044 0.000 2.234 34 F HA -0.058 4.469 4.527 -0.001 0.000 0.299 34 F C 1.753 177.578 175.800 0.042 0.000 1.087 34 F CA 1.433 59.453 58.000 0.034 0.000 1.340 34 F CB -0.158 38.873 39.000 0.051 0.000 1.031 34 F HN 0.135 nan 8.300 nan 0.000 0.500 35 L N -0.148 121.098 121.223 0.038 0.000 2.156 35 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 35 L C 1.368 178.185 176.870 -0.089 0.000 1.095 35 L CA 0.958 55.785 54.840 -0.021 0.000 0.770 35 L CB -0.585 41.580 42.059 0.178 0.000 0.914 35 L HN 0.054 nan 8.230 nan 0.000 0.439 36 E N 0.104 120.280 120.200 -0.040 0.000 2.301 36 E HA 0.038 4.388 4.350 -0.001 0.000 0.195 36 E C 1.262 177.814 176.600 -0.080 0.000 1.171 36 E CA 0.148 56.529 56.400 -0.032 0.000 1.142 36 E CB 0.182 29.889 29.700 0.012 0.000 1.218 36 E HN 0.448 nan 8.360 nan 0.000 0.448 37 G N 0.064 108.752 108.800 -0.186 0.000 2.695 37 G HA2 0.048 4.007 3.960 -0.001 0.000 0.205 37 G HA3 0.048 4.007 3.960 -0.001 0.000 0.205 37 G C 0.209 174.953 174.900 -0.260 0.000 1.068 37 G CA -0.372 44.599 45.100 -0.214 0.000 0.842 37 G HN 0.033 nan 8.290 nan 0.000 0.628 38 L N 2.562 123.586 121.223 -0.332 0.000 2.530 38 L HA 0.366 4.705 4.340 -0.001 0.000 0.273 38 L C 0.775 177.523 176.870 -0.203 0.000 1.141 38 L CA 0.051 54.699 54.840 -0.320 0.000 0.905 38 L CB 1.061 42.896 42.059 -0.374 0.000 1.202 38 L HN 0.037 nan 8.230 nan 0.000 0.473 39 S N 2.514 118.127 115.700 -0.144 0.000 2.465 39 S HA 0.193 4.662 4.470 -0.001 0.000 0.279 39 S C 1.268 175.864 174.600 -0.008 0.000 1.201 39 S CA -0.367 57.807 58.200 -0.043 0.000 1.053 39 S CB 0.197 63.380 63.200 -0.029 0.000 0.953 39 S HN 0.497 nan 8.310 nan 0.000 0.488 40 Y N 3.408 123.681 120.300 -0.044 0.000 2.139 40 Y HA -0.250 4.299 4.550 -0.001 0.000 0.282 40 Y C 2.118 177.999 175.900 -0.030 0.000 1.179 40 Y CA 2.260 60.342 58.100 -0.031 0.000 1.161 40 Y CB -0.132 38.316 38.460 -0.020 0.000 0.970 40 Y HN 0.678 nan 8.280 nan 0.000 0.511 41 E N -0.896 119.387 120.200 0.139 0.000 2.008 41 E HA -0.092 4.257 4.350 -0.001 0.000 0.191 41 E C 2.589 179.202 176.600 0.023 0.000 0.986 41 E CA 1.133 57.569 56.400 0.061 0.000 0.807 41 E CB -1.094 28.626 29.700 0.034 0.000 0.766 41 E HN 0.395 nan 8.360 nan 0.000 0.450 42 G N 1.050 109.849 108.800 -0.002 0.000 2.562 42 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.223 42 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.223 42 G C 1.387 176.264 174.900 -0.038 0.000 1.102 42 G CA 1.057 46.137 45.100 -0.034 0.000 0.742 42 G HN 0.094 nan 8.290 nan 0.000 0.587 43 Q N 0.284 120.074 119.800 -0.015 0.000 2.062 43 Q HA 0.143 4.482 4.340 -0.001 0.000 0.196 43 Q C 2.993 179.062 176.000 0.115 0.000 0.967 43 Q CA 1.250 57.068 55.803 0.026 0.000 0.832 43 Q CB -0.948 27.796 28.738 0.009 0.000 0.899 43 Q HN 0.432 nan 8.270 nan 0.000 0.442 44 A N 1.413 124.282 122.820 0.080 0.000 2.019 44 A HA -0.199 4.121 4.320 -0.001 0.000 0.219 44 A C 1.945 179.568 177.584 0.065 0.000 1.164 44 A CA 1.439 53.524 52.037 0.080 0.000 0.644 44 A CB -0.364 18.657 19.000 0.035 0.000 0.805 44 A HN 0.388 nan 8.150 nan 0.000 0.449 45 E N -0.694 119.518 120.200 0.020 0.000 2.107 45 E HA -0.119 4.230 4.350 -0.001 0.000 0.191 45 E C 2.305 178.869 176.600 -0.059 0.000 0.982 45 E CA 0.591 56.981 56.400 -0.017 0.000 0.809 45 E CB -0.120 29.561 29.700 -0.031 0.000 0.756 45 E HN 0.524 nan 8.360 nan 0.000 0.459 46 R N -0.035 120.403 120.500 -0.103 0.000 2.081 46 R HA -0.127 4.213 4.340 -0.001 0.000 0.235 46 R C 1.157 177.251 176.300 -0.344 0.000 1.131 46 R CA 1.219 57.161 56.100 -0.264 0.000 0.960 46 R CB -0.177 29.894 30.300 -0.381 0.000 0.856 46 R HN 0.248 nan 8.270 nan 0.000 0.436 47 W N -0.466 120.762 121.300 -0.120 0.000 3.468 47 W HA 0.198 4.857 4.660 -0.002 0.000 0.352 47 W C 1.212 177.659 176.519 -0.120 0.000 1.212 47 W CA -0.066 57.195 57.345 -0.139 0.000 1.770 47 W CB 0.264 29.611 29.460 -0.188 0.000 1.005 47 W HN 0.196 nan 8.180 nan 0.000 0.766 48 A N -0.351 122.483 122.820 0.023 0.000 2.066 48 A HA -0.011 4.308 4.320 -0.001 0.000 0.198 48 A C 1.795 179.362 177.584 -0.029 0.000 1.405 48 A CA 0.094 52.135 52.037 0.006 0.000 0.973 48 A CB 0.019 19.019 19.000 -0.001 0.000 1.026 48 A HN 0.352 nan 8.150 nan 0.000 0.474 49 Q N -1.187 118.570 119.800 -0.072 0.000 2.373 49 Q HA 0.239 4.578 4.340 -0.001 0.000 0.206 49 Q C 1.314 177.250 176.000 -0.107 0.000 0.942 49 Q CA 0.717 56.470 55.803 -0.083 0.000 0.953 49 Q CB 0.045 28.718 28.738 -0.108 0.000 1.022 49 Q HN 0.354 nan 8.270 nan 0.000 0.502 50 R N 0.001 120.438 120.500 -0.106 0.000 2.492 50 R HA 0.124 4.463 4.340 -0.001 0.000 0.219 50 R C 1.294 177.582 176.300 -0.019 0.000 0.886 50 R CA 0.487 56.514 56.100 -0.122 0.000 1.003 50 R CB 0.240 30.384 30.300 -0.260 0.000 1.345 50 R HN 0.327 nan 8.270 nan 0.000 0.631 51 L N -0.821 120.409 121.223 0.011 0.000 2.253 51 L HA 0.398 4.737 4.340 -0.001 0.000 0.205 51 L C 1.639 178.524 176.870 0.025 0.000 1.078 51 L CA 1.451 56.311 54.840 0.034 0.000 0.805 51 L CB -0.991 41.093 42.059 0.041 0.000 0.963 51 L HN -0.054 nan 8.230 nan 0.000 0.459 52 K N 0.175 120.584 120.400 0.015 0.000 2.555 52 K HA -0.039 4.280 4.320 -0.001 0.000 0.193 52 K C 0.190 176.804 176.600 0.023 0.000 1.032 52 K CA 0.677 56.971 56.287 0.012 0.000 1.004 52 K CB 0.025 32.527 32.500 0.003 0.000 0.804 52 K HN 0.379 nan 8.250 nan 0.000 0.496 53 T N 1.581 116.159 114.554 0.040 0.000 3.154 53 T HA 0.326 4.675 4.350 -0.001 0.000 0.381 53 T C -2.649 172.107 174.700 0.093 0.000 1.368 53 T CA -2.315 59.825 62.100 0.067 0.000 1.155 53 T CB 1.023 69.944 68.868 0.087 0.000 1.120 53 T HN -0.063 nan 8.240 nan 0.000 0.570 54 P HA 0.116 nan 4.420 nan 0.000 0.290 54 P C 0.339 177.679 177.300 0.066 0.000 1.584 54 P CA 0.350 63.487 63.100 0.060 0.000 0.813 54 P CB -0.133 31.586 31.700 0.032 0.000 1.775 55 T N -2.118 112.503 114.554 0.110 0.000 3.393 55 T HA 0.191 4.540 4.350 -0.001 0.000 0.298 55 T C -1.240 173.501 174.700 0.068 0.000 1.004 55 T CA -0.226 61.910 62.100 0.061 0.000 0.956 55 T CB -0.225 68.668 68.868 0.042 0.000 1.182 55 T HN 0.069 nan 8.240 nan 0.000 0.497 56 W N 1.712 123.026 121.300 0.022 0.000 3.132 56 W HA 0.339 4.998 4.660 -0.002 0.000 0.337 56 W C -2.681 173.855 176.519 0.029 0.000 1.082 56 W CA -2.113 55.251 57.345 0.031 0.000 1.242 56 W CB 2.060 31.524 29.460 0.006 0.000 1.354 56 W HN 0.038 nan 8.180 nan 0.000 0.461 57 P HA -0.131 nan 4.420 nan 0.000 0.228 57 P C 1.017 178.442 177.300 0.209 0.000 1.143 57 P CA 1.012 64.267 63.100 0.259 0.000 0.771 57 P CB -0.033 31.870 31.700 0.338 0.000 0.764 58 G N 0.982 109.865 108.800 0.139 0.000 2.192 58 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.258 58 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.258 58 G C -0.137 174.796 174.900 0.055 0.000 1.185 58 G CA -0.262 44.793 45.100 -0.076 0.000 0.976 58 G HN 0.236 nan 8.290 nan 0.000 0.446 59 R N 3.012 123.586 120.500 0.123 0.000 2.477 59 R HA 0.167 4.506 4.340 -0.001 0.000 0.285 59 R C -0.213 176.300 176.300 0.356 0.000 1.415 59 R CA -0.879 55.346 56.100 0.208 0.000 1.446 59 R CB 0.914 31.391 30.300 0.294 0.000 1.110 59 R HN 0.344 nan 8.270 nan 0.000 0.590 60 L N 2.824 124.157 121.223 0.184 0.000 2.439 60 L HA 0.358 4.698 4.340 -0.001 0.000 0.269 60 L C -0.586 176.388 176.870 0.172 0.000 1.179 60 L CA 0.800 55.760 54.840 0.198 0.000 0.828 60 L CB 0.262 42.292 42.059 -0.049 0.000 1.106 60 L HN 0.357 nan 8.230 nan 0.000 0.467 61 F N 2.517 122.544 119.950 0.128 0.000 2.593 61 F HA 0.680 5.206 4.527 -0.001 0.000 0.320 61 F C 0.070 175.938 175.800 0.114 0.000 1.060 61 F CA -0.713 57.353 58.000 0.110 0.000 0.940 61 F CB 2.049 41.145 39.000 0.158 0.000 1.268 61 F HN 0.079 nan 8.300 nan 0.000 0.475 62 V N 0.737 120.789 119.914 0.229 0.000 3.049 62 V HA 0.832 4.951 4.120 -0.001 0.000 0.309 62 V C -1.073 175.080 176.094 0.098 0.000 1.148 62 V CA -1.105 61.282 62.300 0.145 0.000 0.990 62 V CB 2.064 33.902 31.823 0.025 0.000 1.039 62 V HN 0.925 nan 8.190 nan 0.000 0.430 63 A N 2.401 125.250 122.820 0.048 0.000 2.318 63 A HA 0.867 5.186 4.320 -0.001 0.000 0.324 63 A C -0.610 176.904 177.584 -0.118 0.000 1.170 63 A CA -0.446 51.578 52.037 -0.022 0.000 0.810 63 A CB 1.254 20.233 19.000 -0.035 0.000 1.198 63 A HN 0.868 nan 8.150 nan 0.000 0.484 64 E N 1.498 121.621 120.200 -0.129 0.000 2.288 64 E HA 0.608 4.957 4.350 -0.001 0.000 0.268 64 E C -0.056 176.415 176.600 -0.214 0.000 0.885 64 E CA -0.535 55.758 56.400 -0.178 0.000 0.767 64 E CB 1.729 31.369 29.700 -0.100 0.000 1.220 64 E HN 0.762 nan 8.360 nan 0.000 0.427 65 S N 2.255 117.785 115.700 -0.283 0.000 2.690 65 S HA 0.235 4.704 4.470 -0.001 0.000 0.285 65 S C 0.740 175.326 174.600 -0.023 0.000 1.135 65 S CA -0.575 57.503 58.200 -0.204 0.000 1.020 65 S CB 0.970 63.972 63.200 -0.330 0.000 1.159 65 S HN 0.611 nan 8.310 nan 0.000 0.534 66 E N 0.245 120.494 120.200 0.081 0.000 2.511 66 E HA 0.120 4.469 4.350 -0.001 0.000 0.196 66 E C 1.234 177.872 176.600 0.063 0.000 1.066 66 E CA 0.285 56.730 56.400 0.074 0.000 0.871 66 E CB -0.092 29.668 29.700 0.100 0.000 0.863 66 E HN 0.544 nan 8.360 nan 0.000 0.520 67 S N -0.690 115.050 115.700 0.066 0.000 2.572 67 S HA 0.216 4.685 4.470 -0.001 0.000 0.228 67 S C 0.788 175.394 174.600 0.010 0.000 0.963 67 S CA 0.451 58.684 58.200 0.056 0.000 0.939 67 S CB -0.368 62.893 63.200 0.101 0.000 0.804 67 S HN 0.331 nan 8.310 nan 0.000 0.480 68 G N 2.639 111.431 108.800 -0.013 0.000 2.334 68 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.279 68 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.279 68 G C -0.331 174.538 174.900 -0.052 0.000 0.918 68 G CA 1.007 46.087 45.100 -0.034 0.000 1.314 68 G HN 0.799 nan 8.290 nan 0.000 0.463 69 E N -2.076 118.066 120.200 -0.097 0.000 2.449 69 E HA 0.593 4.942 4.350 -0.001 0.000 0.278 69 E C -0.565 175.939 176.600 -0.161 0.000 0.992 69 E CA -1.352 54.985 56.400 -0.104 0.000 0.807 69 E CB 1.262 30.915 29.700 -0.079 0.000 1.350 69 E HN 0.322 nan 8.360 nan 0.000 0.462 70 V N 2.208 122.048 119.914 -0.125 0.000 2.313 70 V HA 0.097 4.216 4.120 -0.001 0.000 0.252 70 V C 0.817 176.815 176.094 -0.161 0.000 1.112 70 V CA -0.226 62.002 62.300 -0.119 0.000 0.984 70 V CB 0.146 31.929 31.823 -0.066 0.000 1.157 70 V HN 0.607 nan 8.190 nan 0.000 0.493 71 V N 1.425 121.151 119.914 -0.313 0.000 3.331 71 V HA 0.819 4.938 4.120 -0.001 0.000 0.332 71 V C 0.718 176.698 176.094 -0.190 0.000 1.341 71 V CA 0.367 62.402 62.300 -0.442 0.000 1.218 71 V CB -0.479 30.549 31.823 -1.325 0.000 1.152 71 V HN 1.016 nan 8.190 nan 0.000 0.445 72 G N 0.488 109.261 108.800 -0.046 0.000 2.352 72 G HA2 0.450 4.409 3.960 -0.001 0.000 0.303 72 G HA3 0.450 4.409 3.960 -0.001 0.000 0.303 72 G C -1.369 173.618 174.900 0.144 0.000 1.593 72 G CA -0.212 44.914 45.100 0.043 0.000 0.963 72 G HN 1.241 nan 8.290 nan 0.000 0.685 73 F N -0.652 119.306 119.950 0.014 0.000 2.789 73 F HA 0.982 5.508 4.527 -0.001 0.000 0.319 73 F C -0.446 175.399 175.800 0.074 0.000 1.168 73 F CA -1.007 57.008 58.000 0.024 0.000 0.934 73 F CB 1.315 40.271 39.000 -0.075 0.000 1.375 73 F HN 1.584 nan 8.300 nan 0.000 0.480 74 A N 0.611 123.605 122.820 0.289 0.000 2.515 74 A HA 0.897 5.216 4.320 -0.001 0.000 0.298 74 A C -1.524 176.300 177.584 0.401 0.000 1.059 74 A CA -0.444 51.663 52.037 0.117 0.000 0.698 74 A CB 1.356 20.479 19.000 0.206 0.000 1.289 74 A HN 2.014 nan 8.150 nan 0.000 0.404 75 A N 1.705 124.636 122.820 0.185 0.000 3.030 75 A HA 0.655 4.975 4.320 -0.001 0.000 0.335 75 A C -0.762 176.959 177.584 0.229 0.000 1.089 75 A CA -0.398 51.828 52.037 0.315 0.000 0.807 75 A CB -0.440 18.792 19.000 0.387 0.000 1.099 75 A HN 0.612 nan 8.150 nan 0.000 0.474 76 F N 0.810 120.864 119.950 0.173 0.000 2.399 76 F HA 0.713 5.239 4.527 -0.001 0.000 0.313 76 F C 1.316 177.163 175.800 0.079 0.000 1.202 76 F CA 0.574 58.678 58.000 0.173 0.000 1.192 76 F CB 0.745 39.743 39.000 -0.003 0.000 1.256 76 F HN 0.675 nan 8.300 nan 0.000 0.558 77 G N -0.413 108.681 108.800 0.489 0.000 2.325 77 G HA2 0.424 4.383 3.960 -0.001 0.000 0.295 77 G HA3 0.424 4.383 3.960 -0.001 0.000 0.295 77 G C -3.392 171.895 174.900 0.644 0.000 1.274 77 G CA -1.023 44.347 45.100 0.451 0.000 0.857 77 G HN 0.293 nan 8.290 nan 0.000 0.499 78 P HA 0.277 nan 4.420 nan 0.000 0.275 78 P C -0.697 176.809 177.300 0.344 0.000 1.227 78 P CA -0.083 63.270 63.100 0.420 0.000 0.781 78 P CB 0.792 32.807 31.700 0.524 0.000 0.906 79 D N 2.328 122.820 120.400 0.154 0.000 2.502 79 D HA -0.101 4.539 4.640 -0.001 0.000 0.249 79 D C 0.403 176.709 176.300 0.010 0.000 1.188 79 D CA 0.449 54.488 54.000 0.065 0.000 0.890 79 D CB 0.259 41.146 40.800 0.145 0.000 1.140 79 D HN 0.167 nan 8.370 nan 0.000 0.505 80 R N 3.766 124.134 120.500 -0.219 0.000 3.441 80 R HA 0.231 4.570 4.340 -0.001 0.000 0.225 80 R C 0.470 176.730 176.300 -0.067 0.000 1.756 80 R CA 0.421 56.377 56.100 -0.241 0.000 1.504 80 R CB -0.637 29.342 30.300 -0.535 0.000 1.183 80 R HN 0.583 nan 8.270 nan 0.000 0.567 81 A N 0.255 123.097 122.820 0.036 0.000 2.183 81 A HA -0.214 4.105 4.320 -0.001 0.000 0.278 81 A C 1.185 178.820 177.584 0.086 0.000 1.404 81 A CA 0.629 52.712 52.037 0.076 0.000 0.737 81 A CB -1.507 17.526 19.000 0.055 0.000 1.172 81 A HN 0.505 nan 8.150 nan 0.000 0.338 82 S N -0.179 115.640 115.700 0.198 0.000 2.357 82 S HA 0.320 4.789 4.470 -0.001 0.000 0.221 82 S C 2.003 176.787 174.600 0.307 0.000 1.031 82 S CA 1.577 59.991 58.200 0.357 0.000 0.982 82 S CB 0.006 63.635 63.200 0.713 0.000 0.853 82 S HN 2.530 nan 8.310 nan 0.000 0.458 83 G N -0.272 108.678 108.800 0.249 0.000 2.370 83 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.174 83 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.174 83 G C -0.218 174.594 174.900 -0.146 0.000 1.002 83 G CA -0.746 44.372 45.100 0.029 0.000 0.730 83 G HN 0.343 nan 8.290 nan 0.000 0.497 84 F N 2.197 122.252 119.950 0.176 0.000 2.291 84 F HA 0.459 4.985 4.527 -0.002 0.000 0.368 84 F C -2.032 173.901 175.800 0.222 0.000 1.085 84 F CA -2.362 55.750 58.000 0.187 0.000 1.165 84 F CB 1.542 40.644 39.000 0.170 0.000 1.429 84 F HN -0.189 nan 8.300 nan 0.000 0.503 85 P HA 0.157 nan 4.420 nan 0.000 0.257 85 P C 0.816 178.220 177.300 0.173 0.000 1.189 85 P CA 0.975 64.172 63.100 0.162 0.000 0.780 85 P CB 0.419 32.172 31.700 0.090 0.000 0.772 86 G N 2.378 111.255 108.800 0.128 0.000 2.705 86 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.193 86 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.193 86 G C -0.487 174.308 174.900 -0.175 0.000 1.015 86 G CA -0.598 44.487 45.100 -0.024 0.000 0.743 86 G HN 0.399 nan 8.290 nan 0.000 0.476 87 Y N 2.175 122.566 120.300 0.152 0.000 2.518 87 Y HA 0.497 5.046 4.550 -0.002 0.000 0.344 87 Y C 1.780 177.769 175.900 0.148 0.000 0.982 87 Y CA 0.587 58.772 58.100 0.142 0.000 1.234 87 Y CB 1.722 40.258 38.460 0.126 0.000 1.114 87 Y HN 0.107 nan 8.280 nan 0.000 0.515 88 T N 1.026 115.701 114.554 0.203 0.000 3.113 88 T HA 0.389 4.738 4.350 -0.001 0.000 0.263 88 T C 0.461 175.279 174.700 0.196 0.000 1.143 88 T CA 0.799 63.044 62.100 0.243 0.000 1.090 88 T CB -0.237 68.807 68.868 0.293 0.000 0.922 88 T HN 0.660 nan 8.240 nan 0.000 0.521 89 A N 0.271 123.171 122.820 0.134 0.000 2.581 89 A HA 0.732 5.051 4.320 -0.001 0.000 0.290 89 A C -1.114 176.519 177.584 0.082 0.000 1.119 89 A CA -0.789 51.232 52.037 -0.027 0.000 0.670 89 A CB 1.343 20.130 19.000 -0.355 0.000 1.280 89 A HN 0.622 nan 8.150 nan 0.000 0.425 90 E N -0.796 119.444 120.200 0.067 0.000 2.456 90 E HA 0.650 4.999 4.350 -0.001 0.000 0.278 90 E C -1.790 174.877 176.600 0.112 0.000 1.034 90 E CA -0.877 55.555 56.400 0.053 0.000 0.846 90 E CB 1.496 31.183 29.700 -0.022 0.000 1.460 90 E HN 0.639 nan 8.360 nan 0.000 0.463 91 L N 2.639 123.884 121.223 0.038 0.000 2.387 91 L HA 0.307 4.646 4.340 -0.001 0.000 0.259 91 L C -0.357 176.618 176.870 0.173 0.000 1.050 91 L CA -0.695 54.145 54.840 -0.001 0.000 0.922 91 L CB 0.049 41.995 42.059 -0.189 0.000 1.280 91 L HN 0.732 nan 8.230 nan 0.000 0.449 92 W N 3.262 124.609 121.300 0.078 0.000 2.290 92 W HA -0.177 4.483 4.660 -0.001 0.000 0.311 92 W C 1.061 177.742 176.519 0.269 0.000 1.238 92 W CA 1.011 58.478 57.345 0.203 0.000 1.255 92 W CB -0.466 29.165 29.460 0.285 0.000 1.145 92 W HN 0.567 nan 8.180 nan 0.000 0.506 93 A N -1.277 121.821 122.820 0.464 0.000 2.590 93 A HA 0.602 4.921 4.320 -0.001 0.000 0.294 93 A C -1.783 175.885 177.584 0.139 0.000 1.046 93 A CA -0.673 51.622 52.037 0.431 0.000 0.684 93 A CB 0.765 20.218 19.000 0.755 0.000 1.279 93 A HN 0.214 nan 8.150 nan 0.000 0.415 94 I N 0.816 121.390 120.570 0.007 0.000 2.651 94 I HA 0.638 4.807 4.170 -0.001 0.000 0.287 94 I C -2.316 173.587 176.117 -0.357 0.000 1.244 94 I CA -0.414 60.748 61.300 -0.231 0.000 1.061 94 I CB 1.373 39.305 38.000 -0.113 0.000 1.286 94 I HN 0.637 nan 8.210 nan 0.000 0.434 95 Y N 6.220 126.162 120.300 -0.598 0.000 2.373 95 Y HA 0.463 5.012 4.550 -0.001 0.000 0.327 95 Y C -0.087 175.659 175.900 -0.257 0.000 1.036 95 Y CA -0.647 57.247 58.100 -0.344 0.000 1.265 95 Y CB 1.581 39.907 38.460 -0.224 0.000 1.108 95 Y HN 0.195 nan 8.280 nan 0.000 0.471 96 V N 3.617 123.482 119.914 -0.082 0.000 3.441 96 V HA 0.333 4.452 4.120 -0.001 0.000 0.300 96 V C 0.125 176.252 176.094 0.056 0.000 1.062 96 V CA -0.831 61.453 62.300 -0.027 0.000 1.064 96 V CB 1.580 33.361 31.823 -0.070 0.000 1.197 96 V HN 0.588 nan 8.190 nan 0.000 0.451 97 L N 1.526 122.820 121.223 0.117 0.000 2.334 97 L HA 0.350 4.689 4.340 -0.001 0.000 0.276 97 L C -1.610 175.359 176.870 0.164 0.000 1.014 97 L CA -1.669 53.269 54.840 0.163 0.000 0.815 97 L CB 2.358 44.547 42.059 0.217 0.000 1.268 97 L HN 0.424 nan 8.230 nan 0.000 0.428 98 P HA -0.218 nan 4.420 nan 0.000 0.219 98 P C 1.217 178.535 177.300 0.030 0.000 1.161 98 P CA 1.714 64.839 63.100 0.043 0.000 0.909 98 P CB 0.160 31.882 31.700 0.036 0.000 0.793 99 T N -3.436 111.158 114.554 0.066 0.000 3.007 99 T HA -0.122 4.227 4.350 -0.001 0.000 0.270 99 T C 0.686 175.212 174.700 -0.289 0.000 1.107 99 T CA 0.999 63.049 62.100 -0.083 0.000 1.118 99 T CB -0.647 68.193 68.868 -0.047 0.000 0.889 99 T HN 0.274 nan 8.240 nan 0.000 0.506 100 W N 1.461 122.750 121.300 -0.018 0.000 3.005 100 W HA 0.377 5.036 4.660 -0.002 0.000 0.374 100 W C 0.731 177.222 176.519 -0.047 0.000 1.076 100 W CA -0.893 56.438 57.345 -0.023 0.000 1.794 100 W CB 0.100 29.554 29.460 -0.009 0.000 1.113 100 W HN 0.126 nan 8.180 nan 0.000 0.584 101 Q N 0.273 120.110 119.800 0.063 0.000 2.317 101 Q HA 0.351 4.691 4.340 -0.001 0.000 0.229 101 Q C 0.616 176.591 176.000 -0.042 0.000 0.984 101 Q CA -0.376 55.420 55.803 -0.012 0.000 0.911 101 Q CB 0.470 29.174 28.738 -0.058 0.000 1.217 101 Q HN -0.015 nan 8.270 nan 0.000 0.501 102 R N 0.150 120.613 120.500 -0.060 0.000 3.531 102 R HA -0.162 4.177 4.340 -0.001 0.000 0.280 102 R C -0.123 176.152 176.300 -0.041 0.000 1.130 102 R CA 0.349 56.414 56.100 -0.059 0.000 0.757 102 R CB -0.527 29.735 30.300 -0.064 0.000 1.218 102 R HN 0.366 nan 8.270 nan 0.000 0.454 103 K N -0.754 119.637 120.400 -0.014 0.000 2.517 103 K HA 0.147 4.466 4.320 -0.001 0.000 0.210 103 K C 0.924 177.539 176.600 0.024 0.000 1.166 103 K CA 0.836 57.134 56.287 0.018 0.000 1.030 103 K CB 1.318 33.866 32.500 0.080 0.000 0.974 103 K HN 0.431 nan 8.250 nan 0.000 0.585 104 G N 2.178 110.976 108.800 -0.002 0.000 2.153 104 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.252 104 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.252 104 G C 0.772 175.683 174.900 0.018 0.000 0.994 104 G CA 0.637 45.736 45.100 -0.001 0.000 0.698 104 G HN 0.358 nan 8.290 nan 0.000 0.521 105 L N 0.086 121.323 121.223 0.024 0.000 2.093 105 L HA 0.181 4.520 4.340 -0.001 0.000 0.208 105 L C 2.766 179.648 176.870 0.019 0.000 1.085 105 L CA 2.269 57.132 54.840 0.038 0.000 0.755 105 L CB -0.388 41.710 42.059 0.065 0.000 0.904 105 L HN 0.321 nan 8.230 nan 0.000 0.435 106 G N -0.625 108.145 108.800 -0.049 0.000 2.511 106 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.217 106 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.217 106 G C 1.570 176.610 174.900 0.234 0.000 1.133 106 G CA 0.620 45.686 45.100 -0.056 0.000 0.792 106 G HN 0.355 nan 8.290 nan 0.000 0.539 107 R N 1.037 121.652 120.500 0.191 0.000 2.090 107 R HA 0.294 4.634 4.340 -0.001 0.000 0.228 107 R C 2.443 178.762 176.300 0.032 0.000 1.110 107 R CA 1.830 58.018 56.100 0.147 0.000 0.973 107 R CB -0.793 29.512 30.300 0.008 0.000 0.869 107 R HN 0.138 nan 8.270 nan 0.000 0.440 108 A N 1.185 124.032 122.820 0.045 0.000 1.841 108 A HA 0.010 4.329 4.320 -0.001 0.000 0.214 108 A C 2.275 179.920 177.584 0.101 0.000 1.195 108 A CA 1.437 53.504 52.037 0.050 0.000 0.611 108 A CB -0.780 18.255 19.000 0.059 0.000 0.835 108 A HN 0.328 nan 8.150 nan 0.000 0.443 109 L N -1.896 119.405 121.223 0.129 0.000 2.129 109 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 109 L C 2.420 179.413 176.870 0.206 0.000 1.087 109 L CA 1.530 56.454 54.840 0.141 0.000 0.757 109 L CB -0.485 41.671 42.059 0.161 0.000 0.896 109 L HN 0.506 nan 8.230 nan 0.000 0.434 110 F N -0.097 119.954 119.950 0.169 0.000 2.113 110 F HA -0.201 4.325 4.527 -0.001 0.000 0.297 110 F C 2.596 178.425 175.800 0.048 0.000 1.103 110 F CA 1.699 59.838 58.000 0.231 0.000 1.248 110 F CB -0.259 38.862 39.000 0.203 0.000 0.999 110 F HN 0.089 nan 8.300 nan 0.000 0.475 111 H N -1.182 117.878 119.070 -0.017 0.000 2.428 111 H HA -0.092 4.463 4.556 -0.002 0.000 0.296 111 H C 1.945 177.086 175.328 -0.311 0.000 1.062 111 H CA 0.764 56.728 56.048 -0.141 0.000 1.350 111 H CB 0.109 29.988 29.762 0.195 0.000 1.403 111 H HN 0.237 nan 8.280 nan 0.000 0.533 112 E N 0.439 120.535 120.200 -0.173 0.000 2.153 112 E HA -0.086 4.263 4.350 -0.001 0.000 0.194 112 E C 2.366 178.463 176.600 -0.839 0.000 0.988 112 E CA 0.871 57.099 56.400 -0.287 0.000 0.811 112 E CB -0.198 29.430 29.700 -0.120 0.000 0.746 112 E HN 0.537 nan 8.360 nan 0.000 0.466 113 G N 0.041 107.910 108.800 -1.552 0.000 2.777 113 G HA2 0.076 4.035 3.960 -0.001 0.000 0.211 113 G HA3 0.076 4.035 3.960 -0.001 0.000 0.211 113 G C 1.475 175.395 174.900 -1.634 0.000 1.149 113 G CA 0.535 44.097 45.100 -2.563 0.000 0.785 113 G HN 0.295 nan 8.290 nan 0.000 0.536 114 A N 0.416 122.506 122.820 -1.216 0.000 2.132 114 A HA 0.293 4.612 4.320 -0.001 0.000 0.213 114 A C 2.290 179.419 177.584 -0.757 0.000 1.154 114 A CA 0.414 51.749 52.037 -1.170 0.000 0.753 114 A CB -0.076 17.761 19.000 -1.939 0.000 0.826 114 A HN 0.285 nan 8.150 nan 0.000 0.469 115 R N -1.158 119.086 120.500 -0.426 0.000 2.055 115 R HA 0.045 4.384 4.340 -0.001 0.000 0.226 115 R C 1.934 178.211 176.300 -0.038 0.000 1.135 115 R CA 1.150 57.207 56.100 -0.070 0.000 0.959 115 R CB -0.436 29.868 30.300 0.007 0.000 0.854 115 R HN 0.407 nan 8.270 nan 0.000 0.431 116 L N 1.123 122.298 121.223 -0.081 0.000 1.988 116 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 116 L C 2.141 179.043 176.870 0.054 0.000 1.071 116 L CA 1.557 56.408 54.840 0.019 0.000 0.744 116 L CB -0.613 41.507 42.059 0.101 0.000 0.893 116 L HN 0.143 nan 8.230 nan 0.000 0.433 117 L N -0.759 120.463 121.223 -0.002 0.000 2.034 117 L HA -0.359 3.980 4.340 -0.001 0.000 0.217 117 L C 2.636 179.678 176.870 0.287 0.000 1.077 117 L CA 1.968 56.929 54.840 0.202 0.000 0.769 117 L CB -0.657 41.387 42.059 -0.026 0.000 0.890 117 L HN 0.529 nan 8.230 nan 0.000 0.435 118 Q N -0.268 119.600 119.800 0.113 0.000 1.921 118 Q HA -0.284 4.055 4.340 -0.001 0.000 0.208 118 Q C 2.242 178.312 176.000 0.117 0.000 0.994 118 Q CA 2.149 58.048 55.803 0.161 0.000 0.857 118 Q CB -0.215 28.652 28.738 0.214 0.000 0.925 118 Q HN 0.481 nan 8.270 nan 0.000 0.421 119 A N 1.097 123.967 122.820 0.084 0.000 1.873 119 A HA -0.358 3.961 4.320 -0.001 0.000 0.219 119 A C 1.784 179.373 177.584 0.007 0.000 1.269 119 A CA 2.418 54.483 52.037 0.045 0.000 0.671 119 A CB -1.337 17.688 19.000 0.042 0.000 0.842 119 A HN 0.718 nan 8.150 nan 0.000 0.460 120 E N -2.023 118.179 120.200 0.002 0.000 2.233 120 E HA -0.227 4.122 4.350 -0.001 0.000 0.210 120 E C 1.477 177.955 176.600 -0.205 0.000 1.046 120 E CA 1.356 57.700 56.400 -0.092 0.000 0.844 120 E CB -0.290 29.354 29.700 -0.094 0.000 0.741 120 E HN 0.861 nan 8.360 nan 0.000 0.465 121 G N -1.019 107.673 108.800 -0.181 0.000 3.876 121 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.203 121 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.203 121 G C -0.566 174.287 174.900 -0.079 0.000 1.162 121 G CA -0.288 44.710 45.100 -0.169 0.000 0.903 121 G HN 0.127 nan 8.290 nan 0.000 0.390 122 Y N 2.139 122.478 120.300 0.065 0.000 3.036 122 Y HA 0.212 4.761 4.550 -0.001 0.000 0.354 122 Y C 1.833 177.779 175.900 0.076 0.000 1.267 122 Y CA 1.264 59.412 58.100 0.080 0.000 1.606 122 Y CB 0.357 38.879 38.460 0.104 0.000 1.164 122 Y HN 0.265 nan 8.280 nan 0.000 0.587 123 G N 3.444 112.370 108.800 0.210 0.000 2.539 123 G HA2 0.119 4.078 3.960 -0.001 0.000 0.215 123 G HA3 0.119 4.078 3.960 -0.001 0.000 0.215 123 G C 0.386 175.382 174.900 0.160 0.000 1.141 123 G CA 0.318 45.502 45.100 0.140 0.000 0.806 123 G HN 0.662 nan 8.290 nan 0.000 0.533 127 V N -0.562 119.203 119.914 -0.249 0.000 2.969 127 V HA 0.733 4.852 4.120 -0.001 0.000 0.304 127 V C -2.037 173.803 176.094 -0.424 0.000 1.192 127 V CA -0.253 61.885 62.300 -0.270 0.000 0.962 127 V CB 2.311 33.877 31.823 -0.428 0.000 1.045 127 V HN 0.806 nan 8.190 nan 0.000 0.428 128 W N 4.935 126.183 121.300 -0.088 0.000 2.417 128 W HA 0.758 5.417 4.660 -0.002 0.000 0.315 128 W C -0.494 176.067 176.519 0.070 0.000 1.045 128 W CA -0.550 56.791 57.345 -0.007 0.000 1.221 128 W CB 2.075 31.540 29.460 0.009 0.000 1.309 128 W HN 0.524 nan 8.180 nan 0.000 0.453 129 V N 4.340 124.455 119.914 0.335 0.000 2.769 129 V HA 0.432 4.551 4.120 -0.001 0.000 0.312 129 V C -0.075 176.225 176.094 0.343 0.000 1.061 129 V CA -1.402 61.117 62.300 0.364 0.000 0.931 129 V CB 1.592 33.684 31.823 0.449 0.000 1.010 129 V HN 0.363 nan 8.190 nan 0.000 0.433 130 L N 3.148 124.550 121.223 0.300 0.000 2.397 130 L HA 0.328 4.667 4.340 -0.001 0.000 0.271 130 L C 1.603 178.625 176.870 0.253 0.000 1.148 130 L CA -0.205 54.791 54.840 0.260 0.000 0.825 130 L CB 0.893 43.089 42.059 0.228 0.000 1.117 130 L HN 0.716 nan 8.230 nan 0.000 0.456 131 K N 1.821 122.368 120.400 0.246 0.000 2.148 131 K HA -0.103 4.216 4.320 -0.001 0.000 0.204 131 K C 1.027 177.725 176.600 0.164 0.000 1.050 131 K CA 0.939 57.351 56.287 0.208 0.000 0.942 131 K CB 0.116 32.749 32.500 0.221 0.000 0.724 131 K HN 0.606 nan 8.250 nan 0.000 0.446 132 E N 1.136 121.442 120.200 0.176 0.000 2.438 132 E HA -0.073 4.276 4.350 -0.001 0.000 0.192 132 E C -0.113 176.546 176.600 0.099 0.000 1.110 132 E CA 0.327 56.809 56.400 0.137 0.000 0.893 132 E CB -0.642 29.155 29.700 0.162 0.000 0.990 132 E HN 0.043 nan 8.360 nan 0.000 0.490 133 N N 1.075 119.840 118.700 0.108 0.000 2.841 133 N HA 0.212 4.951 4.740 -0.001 0.000 0.257 133 N C -2.293 173.227 175.510 0.017 0.000 1.396 133 N CA -2.287 50.774 53.050 0.019 0.000 0.823 133 N CB 1.485 40.047 38.487 0.123 0.000 1.162 133 N HN -0.248 nan 8.380 nan 0.000 0.503 134 P HA -0.091 nan 4.420 nan 0.000 0.215 134 P C 0.982 178.259 177.300 -0.038 0.000 1.157 134 P CA 1.332 64.426 63.100 -0.011 0.000 0.863 134 P CB 0.438 32.122 31.700 -0.026 0.000 0.787 135 K N -0.674 119.677 120.400 -0.082 0.000 2.103 135 K HA -0.104 4.215 4.320 -0.001 0.000 0.207 135 K C 2.299 178.830 176.600 -0.115 0.000 1.048 135 K CA 1.643 57.868 56.287 -0.103 0.000 0.930 135 K CB -1.068 31.340 32.500 -0.153 0.000 0.716 135 K HN 0.171 nan 8.250 nan 0.000 0.444 136 G N 1.506 110.242 108.800 -0.107 0.000 2.480 136 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.216 136 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.216 136 G C 1.421 176.284 174.900 -0.062 0.000 1.200 136 G CA 0.659 45.702 45.100 -0.096 0.000 0.782 136 G HN 0.246 nan 8.290 nan 0.000 0.554 137 R N 0.283 120.810 120.500 0.045 0.000 2.120 137 R HA -0.015 4.324 4.340 -0.001 0.000 0.234 137 R C 2.858 179.066 176.300 -0.153 0.000 1.123 137 R CA 0.894 57.004 56.100 0.018 0.000 0.975 137 R CB -0.515 29.892 30.300 0.179 0.000 0.866 137 R HN 0.373 nan 8.270 nan 0.000 0.446 138 G N 1.190 109.935 108.800 -0.093 0.000 2.404 138 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.215 138 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.215 138 G C 1.168 176.001 174.900 -0.112 0.000 1.174 138 G CA 0.404 45.437 45.100 -0.112 0.000 0.780 138 G HN 0.235 nan 8.290 nan 0.000 0.537 139 F N 1.345 121.132 119.950 -0.271 0.000 2.015 139 F HA -0.206 4.320 4.527 -0.002 0.000 0.297 139 F C 2.529 178.123 175.800 -0.343 0.000 1.141 139 F CA 1.468 59.274 58.000 -0.323 0.000 1.192 139 F CB -0.874 37.781 39.000 -0.575 0.000 0.957 139 F HN 0.209 nan 8.300 nan 0.000 0.491 140 Y N 0.815 120.812 120.300 -0.506 0.000 2.298 140 Y HA -0.203 4.346 4.550 -0.002 0.000 0.287 140 Y C 2.548 178.107 175.900 -0.568 0.000 1.164 140 Y CA 1.617 59.335 58.100 -0.636 0.000 1.229 140 Y CB -1.236 36.854 38.460 -0.616 0.000 0.977 140 Y HN 0.334 nan 8.280 nan 0.000 0.538 141 E N -1.216 118.742 120.200 -0.403 0.000 2.107 141 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 141 E C 1.775 178.250 176.600 -0.207 0.000 0.982 141 E CA 0.956 57.183 56.400 -0.287 0.000 0.809 141 E CB -0.214 29.339 29.700 -0.245 0.000 0.756 141 E HN 0.646 nan 8.360 nan 0.000 0.459 142 H N 0.287 119.239 119.070 -0.197 0.000 2.353 142 H HA -0.064 4.491 4.556 -0.001 0.000 0.300 142 H C 2.023 177.271 175.328 -0.135 0.000 1.090 142 H CA 1.098 57.063 56.048 -0.139 0.000 1.327 142 H CB 0.094 29.781 29.762 -0.124 0.000 1.383 142 H HN 0.070 nan 8.280 nan 0.000 0.508 143 L N -0.858 120.301 121.223 -0.107 0.000 2.353 143 L HA -0.050 4.289 4.340 -0.001 0.000 0.220 143 L C 1.478 178.417 176.870 0.115 0.000 1.133 143 L CA 0.791 55.601 54.840 -0.049 0.000 0.798 143 L CB -0.120 41.752 42.059 -0.312 0.000 0.922 143 L HN 0.610 nan 8.230 nan 0.000 0.445 144 G N -0.248 108.543 108.800 -0.015 0.000 2.140 144 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.211 144 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.211 144 G C 0.414 175.184 174.900 -0.216 0.000 1.013 144 G CA -0.308 44.766 45.100 -0.043 0.000 0.705 144 G HN 0.515 nan 8.290 nan 0.000 0.508 145 G N -0.628 107.893 108.800 -0.464 0.000 2.483 145 G HA2 0.661 4.620 3.960 -0.001 0.000 0.248 145 G HA3 0.661 4.620 3.960 -0.001 0.000 0.248 145 G C 0.513 175.246 174.900 -0.278 0.000 1.248 145 G CA 0.319 44.898 45.100 -0.868 0.000 0.838 145 G HN 1.620 nan 8.290 nan 0.000 0.566 146 V N 1.115 120.844 119.914 -0.307 0.000 2.532 146 V HA 0.628 4.748 4.120 -0.001 0.000 0.295 146 V C 0.160 176.051 176.094 -0.338 0.000 1.041 146 V CA -1.432 60.744 62.300 -0.205 0.000 0.926 146 V CB 1.435 33.163 31.823 -0.159 0.000 0.992 146 V HN 0.576 nan 8.190 nan 0.000 0.457 147 L N 3.677 124.681 121.223 -0.365 0.000 2.367 147 L HA 0.368 4.707 4.340 -0.001 0.000 0.275 147 L C 0.463 177.052 176.870 -0.469 0.000 1.129 147 L CA 0.442 54.930 54.840 -0.587 0.000 0.839 147 L CB 0.902 42.689 42.059 -0.452 0.000 1.133 147 L HN 0.757 nan 8.230 nan 0.000 0.453 148 L N 3.901 124.746 121.223 -0.630 0.000 2.453 148 L HA 0.638 4.977 4.340 -0.001 0.000 0.190 148 L C 0.950 177.671 176.870 -0.248 0.000 1.093 148 L CA 0.997 55.464 54.840 -0.622 0.000 0.834 148 L CB -0.836 40.330 42.059 -1.488 0.000 1.090 148 L HN 0.770 nan 8.230 nan 0.000 0.489 149 G N -1.310 107.330 108.800 -0.266 0.000 2.561 149 G HA2 0.534 4.493 3.960 -0.001 0.000 0.310 149 G HA3 0.534 4.493 3.960 -0.001 0.000 0.310 149 G C -1.591 173.361 174.900 0.086 0.000 1.292 149 G CA -0.053 45.125 45.100 0.130 0.000 0.811 149 G HN 0.119 nan 8.290 nan 0.000 0.482 150 E N -1.415 118.944 120.200 0.264 0.000 2.442 150 E HA 0.853 5.202 4.350 -0.001 0.000 0.261 150 E C -0.566 176.328 176.600 0.489 0.000 0.935 150 E CA -1.164 55.452 56.400 0.361 0.000 0.856 150 E CB 2.243 32.060 29.700 0.194 0.000 1.571 150 E HN 0.965 nan 8.360 nan 0.000 0.431 151 R N -0.394 120.420 120.500 0.523 0.000 3.062 151 R HA 0.267 4.607 4.340 -0.001 0.000 0.279 151 R C -1.701 174.822 176.300 0.372 0.000 1.003 151 R CA -0.930 55.414 56.100 0.407 0.000 0.872 151 R CB 0.809 31.191 30.300 0.138 0.000 1.280 151 R HN 0.659 nan 8.270 nan 0.000 0.516 152 E N 2.521 122.720 120.200 -0.003 0.000 2.204 152 E HA 0.619 4.968 4.350 -0.001 0.000 0.276 152 E C -0.433 175.937 176.600 -0.383 0.000 0.974 152 E CA -0.931 55.075 56.400 -0.656 0.000 0.815 152 E CB 1.229 30.326 29.700 -1.005 0.000 1.119 152 E HN 0.481 nan 8.360 nan 0.000 0.393 153 I N -0.804 119.520 120.570 -0.411 0.000 3.239 153 I HA 0.594 4.764 4.170 -0.001 0.000 0.314 153 I C -0.903 175.054 176.117 -0.267 0.000 1.126 153 I CA -1.050 60.090 61.300 -0.267 0.000 0.973 153 I CB 2.212 40.102 38.000 -0.183 0.000 1.252 153 I HN 0.306 nan 8.210 nan 0.000 0.463 154 E N 2.521 122.595 120.200 -0.210 0.000 2.222 154 E HA 0.624 4.973 4.350 -0.001 0.000 0.267 154 E C -1.238 175.215 176.600 -0.245 0.000 0.884 154 E CA -0.544 55.730 56.400 -0.210 0.000 0.764 154 E CB 2.900 32.499 29.700 -0.169 0.000 1.169 154 E HN 0.593 nan 8.360 nan 0.000 0.413 155 L N 1.194 122.217 121.223 -0.333 0.000 2.448 155 L HA 0.304 4.643 4.340 -0.001 0.000 0.257 155 L C 0.212 176.603 176.870 -0.799 0.000 1.504 155 L CA -0.599 53.856 54.840 -0.640 0.000 0.852 155 L CB 1.333 43.055 42.059 -0.562 0.000 1.051 155 L HN 0.768 nan 8.230 nan 0.000 0.518 156 G N 0.309 108.801 108.800 -0.514 0.000 2.392 156 G HA2 0.004 3.963 3.960 -0.001 0.000 0.256 156 G HA3 0.004 3.963 3.960 -0.001 0.000 0.256 156 G C 0.966 175.783 174.900 -0.138 0.000 0.920 156 G CA 0.462 45.423 45.100 -0.231 0.000 1.316 156 G HN 1.184 nan 8.290 nan 0.000 0.416 157 G N -0.770 107.973 108.800 -0.095 0.000 2.187 157 G HA2 0.226 4.185 3.960 -0.001 0.000 0.261 157 G HA3 0.226 4.185 3.960 -0.001 0.000 0.261 157 G C 0.688 175.542 174.900 -0.076 0.000 1.000 157 G CA 1.419 46.481 45.100 -0.062 0.000 0.718 157 G HN 2.599 nan 8.290 nan 0.000 0.519 158 A N -0.745 122.000 122.820 -0.125 0.000 2.422 158 A HA 0.795 5.114 4.320 -0.001 0.000 0.302 158 A C -0.227 177.262 177.584 -0.158 0.000 1.041 158 A CA -0.628 51.339 52.037 -0.116 0.000 0.708 158 A CB 1.236 20.174 19.000 -0.103 0.000 1.257 158 A HN 0.294 nan 8.150 nan 0.000 0.414 159 K N 1.915 122.224 120.400 -0.150 0.000 2.211 159 K HA 0.647 4.966 4.320 -0.001 0.000 0.275 159 K C -0.974 175.464 176.600 -0.270 0.000 1.024 159 K CA -0.388 55.755 56.287 -0.240 0.000 0.887 159 K CB 1.150 33.511 32.500 -0.231 0.000 1.084 159 K HN 0.417 nan 8.250 nan 0.000 0.463 160 L N 2.206 123.215 121.223 -0.356 0.000 2.354 160 L HA 0.498 4.837 4.340 -0.001 0.000 0.264 160 L C -0.927 175.688 176.870 -0.425 0.000 1.008 160 L CA -0.727 53.955 54.840 -0.263 0.000 0.819 160 L CB 1.213 43.207 42.059 -0.108 0.000 1.339 160 L HN 0.666 nan 8.230 nan 0.000 0.420 161 W N 0.742 122.072 121.300 0.050 0.000 2.520 161 W HA 0.577 5.237 4.660 -0.000 0.000 0.323 161 W C 0.093 176.681 176.519 0.115 0.000 1.062 161 W CA -0.321 57.066 57.345 0.070 0.000 1.215 161 W CB 1.673 31.171 29.460 0.064 0.000 1.340 161 W HN 0.450 nan 8.180 nan 0.000 0.516 162 E N 2.460 122.911 120.200 0.419 0.000 2.218 162 E HA 0.456 4.806 4.350 -0.001 0.000 0.263 162 E C -0.852 176.065 176.600 0.528 0.000 0.879 162 E CA -0.737 55.915 56.400 0.420 0.000 0.762 162 E CB 1.435 31.340 29.700 0.341 0.000 1.166 162 E HN 0.353 nan 8.360 nan 0.000 0.415 163 V N 1.014 121.141 119.914 0.355 0.000 2.973 163 V HA 0.947 5.066 4.120 -0.001 0.000 0.314 163 V C -0.285 175.660 176.094 -0.249 0.000 1.066 163 V CA -0.589 61.760 62.300 0.080 0.000 1.021 163 V CB 1.524 33.306 31.823 -0.068 0.000 1.076 163 V HN 0.712 nan 8.190 nan 0.000 0.462 164 A N 2.150 124.500 122.820 -0.783 0.000 2.340 164 A HA 0.765 5.084 4.320 -0.001 0.000 0.297 164 A C -1.203 175.766 177.584 -1.026 0.000 1.195 164 A CA -0.473 50.777 52.037 -1.310 0.000 0.769 164 A CB 0.389 18.030 19.000 -2.264 0.000 1.163 164 A HN 0.811 nan 8.150 nan 0.000 0.472 165 Y N 1.131 121.006 120.300 -0.708 0.000 2.308 165 Y HA 0.530 5.079 4.550 -0.001 0.000 0.329 165 Y C 1.151 176.648 175.900 -0.671 0.000 1.111 165 Y CA 0.275 58.010 58.100 -0.609 0.000 1.179 165 Y CB 1.926 40.111 38.460 -0.458 0.000 1.201 165 Y HN 0.737 nan 8.280 nan 0.000 0.483 166 G N 2.506 110.942 108.800 -0.606 0.000 2.400 166 G HA2 0.640 4.599 3.960 -0.001 0.000 0.333 166 G HA3 0.640 4.599 3.960 -0.001 0.000 0.333 166 G C -1.561 173.139 174.900 -0.333 0.000 1.143 166 G CA -0.409 44.343 45.100 -0.580 0.000 0.914 166 G HN 0.390 nan 8.290 nan 0.000 0.480 167 F N -0.534 119.554 119.950 0.230 0.000 2.654 167 F HA 0.590 5.116 4.527 -0.001 0.000 0.334 167 F C -0.440 175.603 175.800 0.405 0.000 1.078 167 F CA -1.003 57.199 58.000 0.337 0.000 0.986 167 F CB 2.738 41.958 39.000 0.367 0.000 1.362 167 F HN 0.377 nan 8.300 nan 0.000 0.498 168 D N 0.480 121.235 120.400 0.591 0.000 2.575 168 D HA 0.357 4.996 4.640 -0.001 0.000 0.250 168 D C 0.162 176.750 176.300 0.481 0.000 1.279 168 D CA -0.305 53.940 54.000 0.408 0.000 0.925 168 D CB 1.165 42.119 40.800 0.257 0.000 1.261 168 D HN 0.165 nan 8.370 nan 0.000 0.567 169 L N 2.366 123.844 121.223 0.427 0.000 2.027 169 L HA 0.230 4.569 4.340 -0.001 0.000 0.206 169 L C 1.579 178.554 176.870 0.175 0.000 1.074 169 L CA 1.457 56.598 54.840 0.502 0.000 0.745 169 L CB -1.354 40.923 42.059 0.364 0.000 0.898 169 L HN 0.568 nan 8.230 nan 0.000 0.433 170 G N -1.835 107.016 108.800 0.084 0.000 2.370 170 G HA2 0.441 4.400 3.960 -0.001 0.000 0.272 170 G HA3 0.441 4.400 3.960 -0.001 0.000 0.272 170 G C 0.705 175.559 174.900 -0.077 0.000 1.208 170 G CA 0.359 45.441 45.100 -0.030 0.000 0.856 170 G HN 0.530 nan 8.290 nan 0.000 0.500 171 G N 1.251 109.958 108.800 -0.155 0.000 2.935 171 G HA2 0.175 4.134 3.960 -0.001 0.000 0.213 171 G HA3 0.175 4.134 3.960 -0.001 0.000 0.213 171 G C -0.020 174.841 174.900 -0.065 0.000 0.984 171 G CA 0.541 45.598 45.100 -0.072 0.000 0.790 171 G HN 1.758 nan 8.290 nan 0.000 0.538 172 H N -1.476 117.443 119.070 -0.250 0.000 2.917 172 H HA 0.683 5.238 4.556 -0.002 0.000 0.299 172 H C -0.936 174.163 175.328 -0.382 0.000 1.418 172 H CA -0.722 55.149 56.048 -0.295 0.000 1.138 172 H CB 0.740 30.294 29.762 -0.347 0.000 1.830 172 H HN 0.196 nan 8.280 nan 0.000 0.514 173 K N 1.430 121.745 120.400 -0.142 0.000 2.248 173 K HA 0.211 4.530 4.320 -0.001 0.000 0.281 173 K C -1.035 175.533 176.600 -0.055 0.000 1.054 173 K CA -0.551 55.667 56.287 -0.116 0.000 0.903 173 K CB 0.504 33.002 32.500 -0.003 0.000 1.077 173 K HN 0.503 nan 8.250 nan 0.000 0.474 174 W N 0.000 121.296 121.300 -0.007 0.000 2.388 174 W HA 0.000 4.659 4.660 -0.002 0.000 0.303 174 W CA 0.000 57.307 57.345 -0.063 0.000 1.226 174 W CB 0.000 29.365 29.460 -0.159 0.000 1.126 174 W HN 0.000 nan 8.180 nan 0.000 0.535