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 3hfn_1_B DATA FIRST_RESID 8 DATA SEQUENCE SLPSIRQLQN LIKQAAPVEI KLVTGDAITG RVLWQDPTCV CIADXXXRQT DATA SEQUENCE TIWKQAIAYL QPK 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.603 174.600 0.005 0.000 1.055 8 S CA 0.000 58.203 58.200 0.005 0.000 1.107 8 S CB 0.000 63.203 63.200 0.005 0.000 0.593 9 L N 1.867 123.093 121.223 0.004 0.000 2.130 9 L HA 0.227 4.574 4.340 0.013 0.000 0.200 9 L C -0.931 175.941 176.870 0.005 0.000 1.075 9 L CA 0.914 55.756 54.840 0.004 0.000 0.768 9 L CB -1.192 40.869 42.059 0.003 0.000 0.933 9 L HN 0.260 nan 8.230 nan 0.000 0.451 10 P HA -0.181 nan 4.420 nan 0.000 0.218 10 P C 1.465 178.768 177.300 0.006 0.000 1.146 10 P CA 1.921 65.024 63.100 0.005 0.000 0.820 10 P CB -0.025 31.678 31.700 0.004 0.000 0.778 11 S N -1.938 113.767 115.700 0.007 0.000 2.427 11 S HA 0.033 4.511 4.470 0.013 0.000 0.224 11 S C 1.775 176.380 174.600 0.008 0.000 1.047 11 S CA 0.360 58.565 58.200 0.009 0.000 0.953 11 S CB -1.236 61.970 63.200 0.010 0.000 0.824 11 S HN 0.003 nan 8.310 nan 0.000 0.502 12 I N 1.930 122.504 120.570 0.007 0.000 2.614 12 I HA 0.044 4.221 4.170 0.013 0.000 0.258 12 I C 2.484 178.606 176.117 0.009 0.000 1.189 12 I CA 0.827 62.132 61.300 0.008 0.000 1.462 12 I CB -0.141 37.863 38.000 0.007 0.000 1.092 12 I HN 0.148 nan 8.210 nan 0.000 0.442 13 R N -0.243 120.262 120.500 0.008 0.000 2.276 13 R HA -0.033 4.315 4.340 0.013 0.000 0.196 13 R C 2.046 178.351 176.300 0.008 0.000 0.961 13 R CA 0.334 56.438 56.100 0.007 0.000 1.024 13 R CB -0.048 30.256 30.300 0.006 0.000 0.940 13 R HN 0.464 nan 8.270 nan 0.000 0.480 14 Q N 0.927 120.732 119.800 0.008 0.000 2.226 14 Q HA -0.017 4.331 4.340 0.013 0.000 0.199 14 Q C 1.722 177.728 176.000 0.009 0.000 0.945 14 Q CA 0.739 56.547 55.803 0.008 0.000 0.861 14 Q CB 0.219 28.962 28.738 0.009 0.000 0.953 14 Q HN 0.305 nan 8.270 nan 0.000 0.490 15 L N 0.665 121.893 121.223 0.009 0.000 2.093 15 L HA -0.116 4.231 4.340 0.013 0.000 0.208 15 L C 2.637 179.516 176.870 0.015 0.000 1.085 15 L CA 1.157 56.002 54.840 0.009 0.000 0.755 15 L CB -0.564 41.499 42.059 0.008 0.000 0.904 15 L HN 0.160 nan 8.230 nan 0.000 0.435 16 Q N 0.454 120.264 119.800 0.016 0.000 2.124 16 Q HA -0.127 4.221 4.340 0.013 0.000 0.202 16 Q C 1.329 177.338 176.000 0.016 0.000 0.977 16 Q CA 1.248 57.062 55.803 0.018 0.000 0.850 16 Q CB -0.146 28.601 28.738 0.015 0.000 0.901 16 Q HN 0.545 nan 8.270 nan 0.000 0.429 17 N N -0.092 118.615 118.700 0.012 0.000 2.383 17 N HA 0.001 4.748 4.740 0.013 0.000 0.192 17 N C 0.898 176.414 175.510 0.010 0.000 1.141 17 N CA 0.399 53.455 53.050 0.010 0.000 0.851 17 N CB 0.474 38.966 38.487 0.008 0.000 0.976 17 N HN 0.138 nan 8.380 nan 0.000 0.465 18 L N 0.033 121.263 121.223 0.011 0.000 2.653 18 L HA 0.335 4.682 4.340 0.013 0.000 0.230 18 L C 1.577 178.454 176.870 0.011 0.000 1.055 18 L CA 0.303 55.149 54.840 0.009 0.000 0.880 18 L CB 0.056 42.120 42.059 0.007 0.000 1.195 18 L HN 0.000 nan 8.230 nan 0.000 0.492 19 I N -2.392 118.188 120.570 0.017 0.000 2.676 19 I HA -0.119 4.059 4.170 0.013 0.000 0.259 19 I C 2.093 178.226 176.117 0.026 0.000 1.194 19 I CA 1.224 62.540 61.300 0.027 0.000 1.473 19 I CB -0.648 37.379 38.000 0.045 0.000 1.096 19 I HN 0.238 nan 8.210 nan 0.000 0.443 20 K N 0.832 121.245 120.400 0.021 0.000 2.432 20 K HA -0.017 4.310 4.320 0.013 0.000 0.196 20 K C 1.735 178.344 176.600 0.014 0.000 1.038 20 K CA 0.717 57.015 56.287 0.017 0.000 0.986 20 K CB 0.240 32.749 32.500 0.014 0.000 0.782 20 K HN 0.333 nan 8.250 nan 0.000 0.485 21 Q N -0.705 119.102 119.800 0.013 0.000 2.246 21 Q HA 0.212 4.559 4.340 0.013 0.000 0.222 21 Q C 0.485 176.492 176.000 0.010 0.000 0.851 21 Q CA 0.673 56.482 55.803 0.010 0.000 0.945 21 Q CB 1.370 30.113 28.738 0.008 0.000 1.122 21 Q HN 0.374 nan 8.270 nan 0.000 0.508 22 A N 0.870 123.697 122.820 0.012 0.000 2.798 22 A HA -0.219 4.109 4.320 0.013 0.000 0.282 22 A C 0.801 178.388 177.584 0.006 0.000 1.464 22 A CA 0.795 52.838 52.037 0.010 0.000 0.844 22 A CB -1.990 17.017 19.000 0.011 0.000 1.006 22 A HN 0.437 nan 8.150 nan 0.000 0.577 23 A N 0.166 122.990 122.820 0.006 0.000 2.483 23 A HA 0.550 4.878 4.320 0.013 0.000 0.238 23 A C -0.943 176.643 177.584 0.003 0.000 1.070 23 A CA -0.264 51.776 52.037 0.005 0.000 0.770 23 A CB -0.025 18.979 19.000 0.006 0.000 1.008 23 A HN 0.581 nan 8.150 nan 0.000 0.497 24 P HA 0.456 nan 4.420 nan 0.000 0.274 24 P C -0.765 176.539 177.300 0.006 0.000 1.256 24 P CA -0.226 62.875 63.100 0.003 0.000 0.795 24 P CB 1.248 32.950 31.700 0.004 0.000 1.038 25 V N -0.346 119.571 119.914 0.006 0.000 2.966 25 V HA 0.202 4.330 4.120 0.013 0.000 0.288 25 V C -1.060 175.043 176.094 0.016 0.000 1.380 25 V CA -0.622 61.686 62.300 0.013 0.000 0.966 25 V CB 1.972 33.798 31.823 0.005 0.000 1.115 25 V HN 0.708 nan 8.190 nan 0.000 0.436 26 E N 5.768 125.990 120.200 0.036 0.000 2.175 26 E HA 0.581 4.938 4.350 0.013 0.000 0.278 26 E C -1.264 175.361 176.600 0.042 0.000 0.969 26 E CA -0.623 55.800 56.400 0.038 0.000 0.796 26 E CB 1.411 31.148 29.700 0.062 0.000 1.104 26 E HN 0.647 nan 8.360 nan 0.000 0.395 27 I N 4.139 124.701 120.570 -0.013 0.000 2.355 27 I HA 0.275 4.453 4.170 0.013 0.000 0.288 27 I C -0.231 175.795 176.117 -0.152 0.000 0.999 27 I CA -0.933 60.334 61.300 -0.054 0.000 1.163 27 I CB 1.458 39.430 38.000 -0.047 0.000 1.316 27 I HN 0.284 nan 8.210 nan 0.000 0.454 28 K N 5.667 125.859 120.400 -0.347 0.000 2.234 28 K HA 0.487 4.815 4.320 0.013 0.000 0.277 28 K C -0.770 175.632 176.600 -0.329 0.000 1.038 28 K CA -0.414 55.581 56.287 -0.486 0.000 0.888 28 K CB 0.749 32.568 32.500 -1.134 0.000 1.091 28 K HN 0.336 nan 8.250 nan 0.000 0.467 29 L N 3.534 124.640 121.223 -0.194 0.000 2.488 29 L HA 0.268 4.616 4.340 0.013 0.000 0.249 29 L C 0.942 177.747 176.870 -0.108 0.000 1.151 29 L CA -0.038 54.733 54.840 -0.115 0.000 0.806 29 L CB 1.271 43.291 42.059 -0.065 0.000 1.261 29 L HN 0.603 nan 8.230 nan 0.000 0.484 30 V N -3.355 116.522 119.914 -0.062 0.000 3.514 30 V HA 0.148 4.276 4.120 0.013 0.000 0.301 30 V C 0.932 177.005 176.094 -0.035 0.000 1.346 30 V CA 0.582 62.855 62.300 -0.044 0.000 1.156 30 V CB -0.449 31.361 31.823 -0.022 0.000 1.029 30 V HN 0.848 nan 8.190 nan 0.000 0.428 31 T N 0.382 114.911 114.554 -0.041 0.000 3.040 31 T HA 0.434 4.792 4.350 0.013 0.000 0.252 31 T C 1.554 176.233 174.700 -0.036 0.000 1.064 31 T CA 1.018 63.098 62.100 -0.034 0.000 1.110 31 T CB 0.427 69.275 68.868 -0.033 0.000 0.921 31 T HN 1.109 nan 8.240 nan 0.000 0.480 32 G N 1.969 110.739 108.800 -0.052 0.000 2.168 32 G HA2 -0.145 3.823 3.960 0.013 0.000 0.197 32 G HA3 -0.145 3.823 3.960 0.013 0.000 0.197 32 G C -0.541 174.322 174.900 -0.060 0.000 0.997 32 G CA -0.501 44.567 45.100 -0.053 0.000 0.658 32 G HN 0.439 nan 8.290 nan 0.000 0.513 33 D N 1.234 121.594 120.400 -0.066 0.000 2.351 33 D HA 0.519 5.167 4.640 0.013 0.000 0.251 33 D C 0.562 176.815 176.300 -0.079 0.000 1.137 33 D CA 0.901 54.866 54.000 -0.058 0.000 0.879 33 D CB 1.596 42.367 40.800 -0.048 0.000 1.181 33 D HN 0.598 nan 8.370 nan 0.000 0.448 34 A N 3.538 126.324 122.820 -0.057 0.000 2.260 34 A HA 0.436 4.764 4.320 0.013 0.000 0.314 34 A C 0.112 177.673 177.584 -0.039 0.000 1.257 34 A CA -0.692 51.312 52.037 -0.054 0.000 0.871 34 A CB 0.419 19.404 19.000 -0.025 0.000 1.166 34 A HN 0.524 nan 8.150 nan 0.000 0.522 35 I N 3.746 124.291 120.570 -0.042 0.000 2.442 35 I HA 0.148 4.326 4.170 0.013 0.000 0.279 35 I C 0.022 176.125 176.117 -0.024 0.000 1.081 35 I CA -0.046 61.234 61.300 -0.033 0.000 1.197 35 I CB 0.439 38.415 38.000 -0.041 0.000 1.394 35 I HN 0.468 nan 8.210 nan 0.000 0.488 36 T N 4.382 118.926 114.554 -0.016 0.000 2.851 36 T HA 0.591 4.949 4.350 0.013 0.000 0.298 36 T C 0.577 175.269 174.700 -0.014 0.000 0.977 36 T CA -0.065 62.030 62.100 -0.009 0.000 1.126 36 T CB 1.501 70.367 68.868 -0.002 0.000 0.916 36 T HN 0.926 nan 8.240 nan 0.000 0.529 37 G N 2.595 111.387 108.800 -0.013 0.000 2.315 37 G HA2 0.432 4.399 3.960 0.013 0.000 0.294 37 G HA3 0.432 4.399 3.960 0.013 0.000 0.294 37 G C -1.796 173.093 174.900 -0.018 0.000 1.300 37 G CA -1.059 44.030 45.100 -0.018 0.000 0.843 37 G HN 0.605 nan 8.290 nan 0.000 0.527 38 R N -0.757 119.730 120.500 -0.021 0.000 2.589 38 R HA 0.626 4.973 4.340 0.013 0.000 0.293 38 R C -0.481 175.800 176.300 -0.032 0.000 0.963 38 R CA -0.752 55.338 56.100 -0.017 0.000 0.905 38 R CB 2.382 32.678 30.300 -0.007 0.000 1.144 38 R HN 0.332 nan 8.270 nan 0.000 0.459 39 V N 4.694 124.591 119.914 -0.029 0.000 2.488 39 V HA 0.073 4.201 4.120 0.013 0.000 0.277 39 V C 0.893 176.970 176.094 -0.029 0.000 1.046 39 V CA 0.153 62.424 62.300 -0.048 0.000 0.986 39 V CB 1.111 32.913 31.823 -0.035 0.000 0.989 39 V HN 0.732 nan 8.190 nan 0.000 0.475 40 L N 4.346 125.531 121.223 -0.064 0.000 2.433 40 L HA 0.349 4.697 4.340 0.013 0.000 0.200 40 L C 0.507 177.480 176.870 0.172 0.000 1.059 40 L CA 0.643 55.496 54.840 0.022 0.000 0.835 40 L CB 0.282 42.332 42.059 -0.015 0.000 1.076 40 L HN 0.745 nan 8.230 nan 0.000 0.481 41 W N -0.285 121.000 121.300 -0.024 0.000 3.018 41 W HA 0.638 5.300 4.660 0.004 0.000 0.352 41 W C -1.489 175.003 176.519 -0.046 0.000 1.230 41 W CA -0.909 56.416 57.345 -0.033 0.000 1.162 41 W CB 0.890 30.329 29.460 -0.035 0.000 1.483 41 W HN -0.051 nan 8.180 nan 0.000 0.584 42 Q N 1.234 121.192 119.800 0.264 0.000 2.451 42 Q HA 0.670 5.017 4.340 0.013 0.000 0.281 42 Q C -1.273 174.852 176.000 0.209 0.000 1.099 42 Q CA -0.505 55.375 55.803 0.129 0.000 0.806 42 Q CB 3.141 31.906 28.738 0.045 0.000 1.419 42 Q HN 0.431 nan 8.270 nan 0.000 0.427 43 D N -1.245 119.215 120.400 0.100 0.000 2.759 43 D HA 0.430 5.078 4.640 0.013 0.000 0.321 43 D C -2.150 174.142 176.300 -0.014 0.000 1.267 43 D CA -1.599 52.436 54.000 0.057 0.000 0.933 43 D CB 0.095 40.945 40.800 0.084 0.000 1.431 43 D HN 0.324 nan 8.370 nan 0.000 0.504 44 P HA -0.106 nan 4.420 nan 0.000 0.217 44 P C 1.065 178.323 177.300 -0.071 0.000 1.148 44 P CA 2.816 65.897 63.100 -0.033 0.000 0.834 44 P CB 0.006 31.694 31.700 -0.020 0.000 0.783 45 T N -6.396 108.070 114.554 -0.145 0.000 2.978 45 T HA 0.151 4.509 4.350 0.013 0.000 0.248 45 T C 0.680 175.108 174.700 -0.453 0.000 1.018 45 T CA 0.020 61.955 62.100 -0.275 0.000 1.026 45 T CB -0.560 68.087 68.868 -0.368 0.000 1.032 45 T HN -0.043 nan 8.240 nan 0.000 0.485 46 C N 1.450 120.512 119.300 -0.397 0.000 2.667 46 C HA 0.909 5.377 4.460 0.013 0.000 0.323 46 C C -0.202 174.639 174.990 -0.249 0.000 1.214 46 C CA -0.932 57.837 59.018 -0.414 0.000 1.721 46 C CB 1.834 29.209 27.740 -0.609 0.000 2.275 46 C HN 0.373 nan 8.230 nan 0.000 0.491 47 V N 0.511 120.258 119.914 -0.278 0.000 2.715 47 V HA 0.600 4.727 4.120 0.013 0.000 0.310 47 V C -0.387 175.442 176.094 -0.442 0.000 1.054 47 V CA -0.428 61.708 62.300 -0.272 0.000 0.928 47 V CB 1.742 33.469 31.823 -0.160 0.000 1.007 47 V HN 1.060 nan 8.190 nan 0.000 0.437 48 C N 5.667 124.632 119.300 -0.559 0.000 2.340 48 C HA 0.723 5.191 4.460 0.013 0.000 0.323 48 C C -0.534 174.250 174.990 -0.345 0.000 1.260 48 C CA -0.392 58.246 59.018 -0.633 0.000 1.464 48 C CB -0.058 26.937 27.740 -1.242 0.000 2.156 48 C HN 0.667 nan 8.230 nan 0.000 0.476 49 I N 4.029 124.464 120.570 -0.225 0.000 2.707 49 I HA 0.682 4.859 4.170 0.013 0.000 0.309 49 I C 0.495 176.551 176.117 -0.101 0.000 1.001 49 I CA -0.933 60.289 61.300 -0.130 0.000 1.129 49 I CB 1.398 39.343 38.000 -0.090 0.000 1.308 49 I HN 0.763 nan 8.210 nan 0.000 0.466 50 A N 3.896 126.679 122.820 -0.062 0.000 2.410 50 A HA 0.706 5.034 4.320 0.013 0.000 0.289 50 A C -1.049 176.523 177.584 -0.021 0.000 1.200 50 A CA -0.508 51.508 52.037 -0.036 0.000 0.751 50 A CB 0.467 19.454 19.000 -0.022 0.000 1.161 50 A HN 0.731 nan 8.150 nan 0.000 0.459 56 Q N 0.806 120.604 119.800 -0.003 0.000 2.235 56 Q HA 0.527 4.874 4.340 0.013 0.000 0.256 56 Q C -0.587 175.400 176.000 -0.021 0.000 0.951 56 Q CA -0.624 55.167 55.803 -0.019 0.000 0.890 56 Q CB 2.452 31.184 28.738 -0.010 0.000 1.279 56 Q HN 0.486 nan 8.270 nan 0.000 0.444 57 T N 0.046 114.570 114.554 -0.050 0.000 3.186 57 T HA 0.253 4.610 4.350 0.013 0.000 0.320 57 T C -0.753 173.899 174.700 -0.080 0.000 0.955 57 T CA -0.698 61.380 62.100 -0.036 0.000 1.030 57 T CB 0.765 69.616 68.868 -0.027 0.000 1.013 57 T HN 0.634 nan 8.240 nan 0.000 0.454 58 T N 4.103 118.623 114.554 -0.058 0.000 2.817 58 T HA 0.644 5.001 4.350 0.013 0.000 0.293 58 T C 0.195 174.918 174.700 0.039 0.000 0.964 58 T CA -0.683 61.341 62.100 -0.126 0.000 1.085 58 T CB 0.051 68.850 68.868 -0.115 0.000 0.921 58 T HN 0.611 nan 8.240 nan 0.000 0.502 59 I N 3.591 124.143 120.570 -0.031 0.000 2.359 59 I HA 0.289 4.467 4.170 0.013 0.000 0.294 59 I C 0.440 176.627 176.117 0.116 0.000 0.987 59 I CA -1.075 60.274 61.300 0.081 0.000 1.225 59 I CB 1.099 39.095 38.000 -0.008 0.000 1.366 59 I HN 0.538 nan 8.210 nan 0.000 0.466 60 W N 5.973 127.244 121.300 -0.048 0.000 2.368 60 W HA 0.077 4.742 4.660 0.008 0.000 0.316 60 W C 1.014 177.516 176.519 -0.029 0.000 1.375 60 W CA -0.396 56.932 57.345 -0.028 0.000 1.261 60 W CB 0.777 30.227 29.460 -0.016 0.000 1.298 60 W HN 0.655 nan 8.180 nan 0.000 0.539 61 K N 1.646 122.038 120.400 -0.012 0.000 2.442 61 K HA -0.233 4.094 4.320 0.013 0.000 0.198 61 K C 1.786 178.416 176.600 0.049 0.000 1.044 61 K CA 1.376 57.657 56.287 -0.009 0.000 0.948 61 K CB 0.240 32.707 32.500 -0.054 0.000 0.762 61 K HN 0.521 nan 8.250 nan 0.000 0.472 62 Q N -0.644 119.227 119.800 0.119 0.000 2.389 62 Q HA 0.101 4.448 4.340 0.013 0.000 0.204 62 Q C 1.666 177.718 176.000 0.086 0.000 0.944 62 Q CA 0.947 56.817 55.803 0.111 0.000 0.908 62 Q CB 0.112 28.942 28.738 0.154 0.000 1.002 62 Q HN 0.167 nan 8.270 nan 0.000 0.493 63 A N 0.934 123.812 122.820 0.096 0.000 2.208 63 A HA 0.171 4.498 4.320 0.013 0.000 0.209 63 A C 0.648 178.238 177.584 0.011 0.000 1.161 63 A CA -0.203 51.862 52.037 0.047 0.000 0.782 63 A CB -0.289 18.741 19.000 0.051 0.000 0.816 63 A HN 0.335 nan 8.150 nan 0.000 0.477 64 I N 0.426 121.003 120.570 0.011 0.000 2.505 64 I HA 0.115 4.292 4.170 0.013 0.000 0.287 64 I C 1.519 177.627 176.117 -0.015 0.000 1.104 64 I CA -0.178 61.111 61.300 -0.017 0.000 1.387 64 I CB 1.180 39.177 38.000 -0.005 0.000 1.404 64 I HN 0.246 nan 8.210 nan 0.000 0.528 65 A N 7.288 130.071 122.820 -0.063 0.000 1.843 65 A HA 0.058 4.386 4.320 0.013 0.000 0.213 65 A C 0.353 177.984 177.584 0.079 0.000 1.202 65 A CA 1.340 53.356 52.037 -0.034 0.000 0.607 65 A CB 0.028 18.944 19.000 -0.141 0.000 0.847 65 A HN 0.776 nan 8.150 nan 0.000 0.445 66 Y N -3.611 116.691 120.300 0.003 0.000 2.662 66 Y HA 0.635 5.193 4.550 0.013 0.000 0.334 66 Y C -1.494 174.404 175.900 -0.003 0.000 1.185 66 Y CA -2.045 56.055 58.100 0.000 0.000 1.074 66 Y CB 0.436 38.896 38.460 0.000 0.000 1.330 66 Y HN 0.340 nan 8.280 nan 0.000 0.458 67 L N 3.063 124.494 121.223 0.347 0.000 2.362 67 L HA 0.715 5.063 4.340 0.013 0.000 0.275 67 L C -1.586 175.399 176.870 0.191 0.000 0.998 67 L CA -0.496 54.474 54.840 0.218 0.000 0.820 67 L CB 2.040 44.156 42.059 0.095 0.000 1.270 67 L HN 0.848 nan 8.230 nan 0.000 0.415 68 Q N 5.459 125.356 119.800 0.163 0.000 2.304 68 Q HA 0.478 4.825 4.340 0.013 0.000 0.270 68 Q C -2.586 173.443 176.000 0.048 0.000 1.035 68 Q CA -2.182 53.665 55.803 0.074 0.000 0.781 68 Q CB 1.872 30.643 28.738 0.056 0.000 1.261 68 Q HN 0.433 nan 8.270 nan 0.000 0.444 69 P HA -0.035 nan 4.420 nan 0.000 0.265 69 P C -0.515 176.794 177.300 0.014 0.000 1.193 69 P CA 0.362 63.472 63.100 0.016 0.000 0.765 69 P CB 0.732 32.437 31.700 0.008 0.000 0.823 70 K N 0.000 120.408 120.400 0.014 0.000 2.780 70 K HA 0.000 4.328 4.320 0.013 0.000 0.191 70 K CA 0.000 56.295 56.287 0.013 0.000 0.838 70 K CB 0.000 32.509 32.500 0.015 0.000 1.064 70 K HN 0.000 nan 8.250 nan 0.000 0.543